NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
579126 | 2mrl | 25083 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.828 0.889 -1.794 3 HB2 MET 1 HB2 MET 1 3.786 -0.576 -0.070 4 HB3 MET 1 HB3 MET 1 4.124 -0.391 -1.785 5 HG2 MET 1 HG2 MET 1 4.014 2.015 -1.583 6 HG3 MET 1 HG3 MET 1 3.568 1.873 0.116 7 HE1 MET 1 HE1 MET 1 5.904 2.249 -2.461 8 HE2 MET 1 HE2 MET 1 7.444 2.521 -1.645 9 HE3 MET 1 HE3 MET 1 7.036 0.914 -2.247 10 H ASP 2 H ASP 2 0.667 -0.100 -3.333 11 HA ASP 2 HA ASP 2 0.885 -3.026 -3.578 12 HB2 ASP 2 HB2 ASP 2 -1.299 -1.087 -4.195 13 HB3 ASP 2 HB3 ASP 2 -1.171 -2.542 -5.180 14 H ARG 3 H ARG 3 2.013 -3.819 -5.222 15 HA ARG 3 HA ARG 3 2.148 -2.380 -7.747 16 HB2 ARG 3 HB2 ARG 3 4.682 -2.740 -7.766 17 HB3 ARG 3 HB3 ARG 3 4.063 -1.423 -6.779 18 HG2 ARG 3 HG2 ARG 3 4.446 -2.584 -4.784 19 HG3 ARG 3 HG3 ARG 3 4.618 -4.130 -5.618 20 HD2 ARG 3 HD2 ARG 3 6.624 -2.927 -6.793 21 HD3 ARG 3 HD3 ARG 3 6.551 -1.868 -5.385 22 HE ARG 3 HE ARG 3 6.556 -4.589 -4.595 23 HH11 ARG 3 HH11 ARG 3 8.630 -2.074 -5.816 24 HH12 ARG 3 HH12 ARG 3 10.067 -2.737 -5.111 25 HH21 ARG 3 HH21 ARG 3 8.441 -5.472 -3.662 26 HH22 ARG 3 HH22 ARG 3 9.958 -4.671 -3.887 27 H ILE 4 H ILE 4 2.289 -3.715 -9.475 28 HA ILE 4 HA ILE 4 2.845 -6.560 -8.956 29 HB ILE 4 HB ILE 4 0.729 -5.468 -10.813 30 HG12 ILE 4 HG12 ILE 4 0.410 -7.097 -8.285 31 HG13 ILE 4 HG13 ILE 4 0.191 -5.353 -8.371 32 HG21 ILE 4 HG21 ILE 4 1.548 -7.418 -11.824 33 HG22 ILE 4 HG22 ILE 4 1.728 -8.247 -10.279 34 HG23 ILE 4 HG23 ILE 4 0.119 -7.943 -10.934 35 HD11 ILE 4 HD11 ILE 4 -1.569 -7.530 -9.261 36 HD12 ILE 4 HD12 ILE 4 -1.960 -5.922 -8.652 37 HD13 ILE 4 HD13 ILE 4 -1.471 -6.133 -10.333 38 H PHE 5 H PHE 5 4.457 -7.335 -10.135 39 HA PHE 5 HA PHE 5 5.244 -5.881 -12.567 40 HB2 PHE 5 HB2 PHE 5 7.442 -7.122 -12.234 41 HB3 PHE 5 HB3 PHE 5 7.053 -5.893 -11.034 42 HD1 PHE 5 HD2 PHE 5 6.454 -6.512 -8.767 43 HD2 PHE 5 HD1 PHE 5 7.463 -9.461 -11.666 44 HE1 PHE 5 HE2 PHE 5 6.729 -8.175 -6.975 45 HE2 PHE 5 HE1 PHE 5 7.739 -11.129 -9.879 46 HZ PHE 5 HZ PHE 5 7.373 -10.487 -7.529 47 H MET 6 H MET 6 4.958 -6.815 -14.478 48 HA MET 6 HA MET 6 4.944 -9.735 -14.671 49 HB2 MET 6 HB2 MET 6 2.689 -7.901 -15.340 50 HB3 MET 6 HB3 MET 6 2.959 -9.298 -16.372 51 HG2 MET 6 HG2 MET 6 2.693 -10.791 -14.512 52 HG3 MET 6 HG3 MET 6 2.592 -9.436 -13.391 53 HE1 MET 6 HE1 MET 6 -0.916 -9.880 -12.775 54 HE2 MET 6 HE2 MET 6 -0.155 -11.428 -13.144 55 HE3 MET 6 HE3 MET 6 0.755 -10.177 -12.296 56 H THR 7 H THR 7 5.304 -10.534 -16.825 57 HA THR 7 HA THR 7 7.140 -8.882 -18.296 58 HB THR 7 HB THR 7 6.747 -11.095 -19.875 59 HG1 THR 7 HG1 THR 7 5.366 -12.105 -18.424 60 HG21 THR 7 HG21 THR 7 8.941 -10.621 -19.413 61 HG22 THR 7 HG22 THR 7 8.708 -12.009 -18.351 62 HG23 THR 7 HG23 THR 7 8.639 -10.375 -17.693 63 H ARG 8 H ARG 8 6.918 -9.158 -20.842 64 HA ARG 8 HA ARG 8 4.930 -7.449 -21.700 65 HB2 ARG 8 HB2 ARG 8 6.286 -9.592 -23.347 66 HB3 ARG 8 HB3 ARG 8 5.477 -8.162 -23.974 67 HG2 ARG 8 HG2 ARG 8 7.171 -6.753 -23.338 68 HG3 ARG 8 HG3 ARG 8 7.717 -7.821 -22.043 69 HD2 ARG 8 HD2 ARG 8 7.924 -8.757 -24.863 70 HD3 ARG 8 HD3 ARG 8 9.087 -7.569 -24.277 71 HE ARG 8 HE ARG 8 8.804 -9.826 -22.532 72 HH11 ARG 8 HH11 ARG 8 10.389 -8.621 -25.387 73 HH12 ARG 8 HH12 ARG 8 11.741 -9.696 -25.248 74 HH21 ARG 8 HH21 ARG 8 10.578 -11.246 -22.338 75 HH22 ARG 8 HH22 ARG 8 11.847 -11.189 -23.514 76 H THR 9 H THR 9 4.981 -10.999 -21.980 77 HA THR 9 HA THR 9 2.408 -11.221 -23.126 78 HB THR 9 HB THR 9 3.603 -13.401 -21.442 79 HG1 THR 9 HG1 THR 9 4.489 -12.490 -23.990 80 HG21 THR 9 HG21 THR 9 1.362 -13.570 -22.658 81 HG22 THR 9 HG22 THR 9 2.532 -14.857 -22.953 82 HG23 THR 9 HG23 THR 9 2.303 -13.582 -24.149 83 H GLU 10 H GLU 10 3.542 -11.651 -19.778 84 HA GLU 10 HA GLU 10 1.055 -12.271 -18.650 85 HB2 GLU 10 HB2 GLU 10 3.619 -11.165 -17.568 86 HB3 GLU 10 HB3 GLU 10 2.198 -11.224 -16.535 87 HG2 GLU 10 HG2 GLU 10 3.758 -13.172 -16.343 88 HG3 GLU 10 HG3 GLU 10 2.075 -13.577 -16.672 89 H ALA 11 H ALA 11 2.302 -9.308 -19.823 90 HA ALA 11 HA ALA 11 1.079 -7.382 -18.279 91 HB1 ALA 11 HB1 ALA 11 1.434 -5.900 -20.015 92 HB2 ALA 11 HB2 ALA 11 2.608 -7.170 -20.365 93 HB3 ALA 11 HB3 ALA 11 1.087 -7.106 -21.255 94 H LEU 12 H LEU 12 -0.360 -9.605 -20.533 95 HA LEU 12 HA LEU 12 -2.735 -8.386 -21.189 96 HB2 LEU 12 HB2 LEU 12 -2.330 -11.283 -20.459 97 HB3 LEU 12 HB3 LEU 12 -3.695 -10.633 -21.365 98 HG LEU 12 HG LEU 12 -0.941 -10.229 -22.434 99 HD11 LEU 12 HD11 LEU 12 -1.091 -12.618 -21.762 100 HD12 LEU 12 HD12 LEU 12 -0.926 -12.373 -23.500 101 HD13 LEU 12 HD13 LEU 12 -2.498 -12.781 -22.812 102 HD21 LEU 12 HD21 LEU 12 -2.122 -9.448 -24.140 103 HD22 LEU 12 HD22 LEU 12 -3.623 -9.838 -23.301 104 HD23 LEU 12 HD23 LEU 12 -2.862 -11.035 -24.351 105 H GLU 13 H GLU 13 -1.978 -10.210 -18.240 106 HA GLU 13 HA GLU 13 -4.484 -10.172 -17.048 107 HB2 GLU 13 HB2 GLU 13 -2.085 -11.156 -16.327 108 HB3 GLU 13 HB3 GLU 13 -2.152 -9.755 -15.267 109 HG2 GLU 13 HG2 GLU 13 -3.901 -10.577 -14.053 110 HG3 GLU 13 HG3 GLU 13 -4.516 -11.549 -15.388 111 H PHE 14 H PHE 14 -2.002 -7.687 -17.166 112 HA PHE 14 HA PHE 14 -3.272 -5.951 -15.286 113 HB2 PHE 14 HB2 PHE 14 -0.926 -5.679 -15.566 114 HB3 PHE 14 HB3 PHE 14 -1.078 -5.542 -17.315 115 HD1 PHE 14 HD2 PHE 14 -3.053 -3.835 -14.676 116 HD2 PHE 14 HD1 PHE 14 -0.172 -3.456 -17.786 117 HE1 PHE 14 HE2 PHE 14 -3.158 -1.385 -14.471 118 HE2 PHE 14 HE1 PHE 14 -0.271 -1.006 -17.585 119 HZ PHE 14 HZ PHE 14 -1.767 0.033 -15.926 120 H LEU 15 H LEU 15 -3.105 -6.078 -18.826 121 HA LEU 15 HA LEU 15 -4.621 -3.750 -19.304 122 HB2 LEU 15 HB2 LEU 15 -4.372 -6.189 -21.057 123 HB3 LEU 15 HB3 LEU 15 -4.864 -4.575 -21.568 124 HG LEU 15 HG LEU 15 -2.158 -5.002 -20.365 125 HD11 LEU 15 HD11 LEU 15 -2.717 -6.644 -22.301 126 HD12 LEU 15 HD12 LEU 15 -1.205 -5.738 -22.330 127 HD13 LEU 15 HD13 LEU 15 -2.568 -5.208 -23.315 128 HD21 LEU 15 HD21 LEU 15 -1.802 -2.903 -21.022 129 HD22 LEU 15 HD22 LEU 15 -3.541 -2.798 -21.293 130 HD23 LEU 15 HD23 LEU 15 -2.464 -3.209 -22.628 131 H LEU 16 H LEU 16 -5.511 -6.987 -18.457 132 HA LEU 16 HA LEU 16 -8.279 -6.654 -19.245 133 HB2 LEU 16 HB2 LEU 16 -6.653 -8.843 -18.039 134 HB3 LEU 16 HB3 LEU 16 -8.408 -8.891 -17.876 135 HG LEU 16 HG LEU 16 -6.976 -8.729 -20.524 136 HD11 LEU 16 HD11 LEU 16 -8.032 -11.133 -19.045 137 HD12 LEU 16 HD12 LEU 16 -6.353 -10.802 -19.469 138 HD13 LEU 16 HD13 LEU 16 -7.534 -11.127 -20.737 139 HD21 LEU 16 HD21 LEU 16 -9.127 -9.392 -21.435 140 HD22 LEU 16 HD22 LEU 16 -9.288 -7.905 -20.499 141 HD23 LEU 16 HD23 LEU 16 -9.820 -9.441 -19.814 142 H LYS 17 H LYS 17 -6.493 -7.089 -16.195 143 HA LYS 17 HA LYS 17 -8.696 -6.752 -14.485 144 HB2 LYS 17 HB2 LYS 17 -7.136 -6.598 -12.719 145 HB3 LYS 17 HB3 LYS 17 -6.387 -7.656 -13.908 146 HG2 LYS 17 HG2 LYS 17 -5.165 -5.609 -14.759 147 HG3 LYS 17 HG3 LYS 17 -5.735 -4.788 -13.304 148 HD2 LYS 17 HD2 LYS 17 -4.076 -7.309 -13.371 149 HD3 LYS 17 HD3 LYS 17 -3.475 -5.689 -13.008 150 HE2 LYS 17 HE2 LYS 17 -3.811 -6.414 -10.881 151 HE3 LYS 17 HE3 LYS 17 -5.430 -5.798 -11.208 152 HZ1 LYS 17 HZ1 LYS 17 -5.406 -8.399 -12.127 153 HZ2 LYS 17 HZ2 LYS 17 -6.180 -7.814 -10.742 154 HZ3 LYS 17 HZ3 LYS 17 -4.616 -8.449 -10.631 155 H ALA 18 H ALA 18 -6.608 -4.454 -16.087 156 HA ALA 18 HA ALA 18 -7.197 -2.168 -14.571 157 HB1 ALA 18 HB1 ALA 18 -5.373 -2.029 -16.048 158 HB2 ALA 18 HB2 ALA 18 -6.346 -2.534 -17.430 159 HB3 ALA 18 HB3 ALA 18 -6.592 -0.941 -16.713 160 H HIS 19 H HIS 19 -8.799 -3.553 -17.413 161 HA HIS 19 HA HIS 19 -10.676 -1.499 -17.801 162 HB2 HIS 19 HB2 HIS 19 -10.458 -4.355 -18.625 163 HB3 HIS 19 HB3 HIS 19 -12.028 -3.573 -18.785 164 HD1 HIS 19 HD1 HIS 19 -8.481 -2.455 -19.634 165 HD2 HIS 19 HD2 HIS 19 -12.268 -2.707 -21.323 166 HE1 HIS 19 HE1 HIS 19 -8.250 -1.496 -21.947 167 H GLN 20 H GLN 20 -10.843 -4.490 -15.905 168 HA GLN 20 HA GLN 20 -13.493 -4.384 -15.110 169 HB2 GLN 20 HB2 GLN 20 -11.933 -6.268 -14.670 170 HB3 GLN 20 HB3 GLN 20 -11.157 -5.299 -13.424 171 HG2 GLN 20 HG2 GLN 20 -13.030 -5.380 -12.030 172 HG3 GLN 20 HG3 GLN 20 -14.088 -5.910 -13.337 173 HE21 GLN 20 HE21 GLN 20 -14.169 -8.052 -13.885 174 HE22 GLN 20 HE22 GLN 20 -13.417 -9.297 -12.953 175 H THR 21 H THR 21 -10.681 -2.751 -13.732 176 HA THR 21 HA THR 21 -11.862 -1.711 -11.430 177 HB THR 21 HB THR 21 -9.784 -0.261 -13.071 178 HG1 THR 21 HG1 THR 21 -9.586 -2.560 -11.435 179 HG21 THR 21 HG21 THR 21 -9.085 0.691 -11.010 180 HG22 THR 21 HG22 THR 21 -10.097 -0.411 -10.077 181 HG23 THR 21 HG23 THR 21 -10.840 0.852 -11.058 182 H ALA 22 H ALA 22 -11.568 -0.243 -14.660 183 HA ALA 22 HA ALA 22 -12.999 2.114 -13.996 184 HB1 ALA 22 HB1 ALA 22 -13.100 2.480 -16.432 185 HB2 ALA 22 HB2 ALA 22 -11.475 2.080 -15.872 186 HB3 ALA 22 HB3 ALA 22 -12.455 0.857 -16.682 187 H VAL 23 H VAL 23 -13.942 -0.903 -15.615 188 HA VAL 23 HA VAL 23 -16.586 -0.203 -16.209 189 HB VAL 23 HB VAL 23 -15.496 -2.947 -15.565 190 HG11 VAL 23 HG11 VAL 23 -17.990 -2.127 -17.051 191 HG12 VAL 23 HG12 VAL 23 -17.393 -3.779 -16.873 192 HG13 VAL 23 HG13 VAL 23 -17.929 -2.875 -15.455 193 HG21 VAL 23 HG21 VAL 23 -14.798 -1.247 -17.641 194 HG22 VAL 23 HG22 VAL 23 -14.538 -2.990 -17.579 195 HG23 VAL 23 HG23 VAL 23 -15.982 -2.341 -18.357 196 H ASP 24 H ASP 24 -15.118 -1.422 -13.266 197 HA ASP 24 HA ASP 24 -17.664 -1.834 -11.959 198 HB2 ASP 24 HB2 ASP 24 -14.794 -2.183 -11.194 199 HB3 ASP 24 HB3 ASP 24 -16.006 -2.075 -9.921 200 H LYS 25 H LYS 25 -15.184 0.620 -12.117 201 HA LYS 25 HA LYS 25 -15.911 2.119 -9.852 202 HB2 LYS 25 HB2 LYS 25 -14.366 2.628 -12.339 203 HB3 LYS 25 HB3 LYS 25 -14.933 4.035 -11.449 204 HG2 LYS 25 HG2 LYS 25 -13.806 3.204 -9.436 205 HG3 LYS 25 HG3 LYS 25 -13.214 1.817 -10.354 206 HD2 LYS 25 HD2 LYS 25 -11.990 3.312 -11.843 207 HD3 LYS 25 HD3 LYS 25 -12.607 4.711 -10.961 208 HE2 LYS 25 HE2 LYS 25 -10.860 2.534 -9.816 209 HE3 LYS 25 HE3 LYS 25 -10.319 4.144 -10.288 210 HZ1 LYS 25 HZ1 LYS 25 -10.660 4.438 -8.067 211 HZ2 LYS 25 HZ2 LYS 25 -11.932 3.327 -7.981 212 HZ3 LYS 25 HZ3 LYS 25 -12.194 4.864 -8.638 213 H ILE 26 H ILE 26 -16.987 2.284 -13.222 214 HA ILE 26 HA ILE 26 -18.664 4.543 -12.886 215 HB ILE 26 HB ILE 26 -19.705 3.851 -15.019 216 HG12 ILE 26 HG12 ILE 26 -17.873 1.456 -14.758 217 HG13 ILE 26 HG13 ILE 26 -19.632 1.425 -14.697 218 HG21 ILE 26 HG21 ILE 26 -17.877 4.403 -16.340 219 HG22 ILE 26 HG22 ILE 26 -17.436 5.050 -14.760 220 HG23 ILE 26 HG23 ILE 26 -16.744 3.525 -15.313 221 HD11 ILE 26 HD11 ILE 26 -19.033 0.704 -16.850 222 HD12 ILE 26 HD12 ILE 26 -19.594 2.366 -17.039 223 HD13 ILE 26 HD13 ILE 26 -17.866 2.011 -17.049 224 H GLY 27 H GLY 27 -19.027 1.212 -12.097 225 HA2 GLY 27 HA2 GLY 27 -20.693 0.231 -10.815 226 HA3 GLY 27 HA3 GLY 27 -21.594 1.738 -10.888 227 H HIS 28 H HIS 28 -20.407 -0.034 -13.684 228 HA HIS 28 HA HIS 28 -22.918 0.029 -14.976 229 HB2 HIS 28 HB2 HIS 28 -20.231 -0.880 -15.580 230 HB3 HIS 28 HB3 HIS 28 -21.439 -2.004 -16.197 231 HD1 HIS 28 HD1 HIS 28 -22.059 1.697 -16.072 232 HD2 HIS 28 HD2 HIS 28 -21.108 -1.245 -18.847 233 HE1 HIS 28 HE1 HIS 28 -22.323 2.786 -18.324 234 HA PRO 29 HA PRO 29 -25.001 -3.545 -13.515 235 HB2 PRO 29 HB2 PRO 29 -26.246 -4.419 -15.764 236 HB3 PRO 29 HB3 PRO 29 -26.742 -2.962 -14.895 237 HG2 PRO 29 HG2 PRO 29 -25.053 -3.218 -17.353 238 HG3 PRO 29 HG3 PRO 29 -26.353 -2.063 -17.004 239 HD2 PRO 29 HD2 PRO 29 -23.732 -1.419 -16.781 240 HD3 PRO 29 HD3 PRO 29 -24.981 -0.711 -15.737 241 H SER 30 H SER 30 -25.555 -5.925 -14.465 242 HA SER 30 HA SER 30 -23.009 -7.073 -15.403 243 HB2 SER 30 HB2 SER 30 -24.755 -7.903 -13.108 244 HB3 SER 30 HB3 SER 30 -23.776 -9.106 -13.947 245 HG SER 30 HG SER 30 -22.979 -7.547 -12.041 246 H HIS 31 H HIS 31 -25.626 -6.356 -16.722 247 HA HIS 31 HA HIS 31 -27.140 -8.596 -17.351 248 HB2 HIS 31 HB2 HIS 31 -27.552 -6.150 -17.987 249 HB3 HIS 31 HB3 HIS 31 -26.483 -6.441 -19.355 250 HD1 HIS 31 HD1 HIS 31 -29.566 -8.141 -17.888 251 HD2 HIS 31 HD2 HIS 31 -27.879 -7.139 -21.550 252 HE1 HIS 31 HE1 HIS 31 -31.222 -8.901 -19.622 253 H LYS 32 H LYS 32 -27.190 -9.822 -19.387 254 HA LYS 32 HA LYS 32 -24.810 -11.205 -19.844 255 HB2 LYS 32 HB2 LYS 32 -27.292 -10.994 -21.554 256 HB3 LYS 32 HB3 LYS 32 -25.994 -12.146 -21.842 257 HG2 LYS 32 HG2 LYS 32 -26.404 -13.001 -19.502 258 HG3 LYS 32 HG3 LYS 32 -27.870 -12.018 -19.499 259 HD2 LYS 32 HD2 LYS 32 -27.324 -13.957 -21.719 260 HD3 LYS 32 HD3 LYS 32 -28.035 -14.501 -20.198 261 HE2 LYS 32 HE2 LYS 32 -29.159 -12.251 -21.855 262 HE3 LYS 32 HE3 LYS 32 -29.677 -13.928 -22.013 263 HZ1 LYS 32 HZ1 LYS 32 -30.956 -13.740 -20.226 264 HZ2 LYS 32 HZ2 LYS 32 -30.679 -12.072 -20.268 265 HZ3 LYS 32 HZ3 LYS 32 -29.713 -13.066 -19.297 266 H GLN 33 H GLN 33 -23.453 -11.310 -21.704 267 HA GLN 33 HA GLN 33 -22.438 -8.890 -22.580 268 HB2 GLN 33 HB2 GLN 33 -21.365 -10.269 -24.422 269 HB3 GLN 33 HB3 GLN 33 -21.055 -10.798 -22.774 270 HG2 GLN 33 HG2 GLN 33 -22.493 -12.634 -22.972 271 HG3 GLN 33 HG3 GLN 33 -23.253 -11.989 -24.425 272 HE21 GLN 33 HE21 GLN 33 -20.332 -13.422 -23.125 273 HE22 GLN 33 HE22 GLN 33 -19.723 -14.011 -24.631 274 H THR 34 H THR 34 -22.738 -7.592 -24.336 275 HA THR 34 HA THR 34 -25.185 -8.073 -25.879 276 HB THR 34 HB THR 34 -24.563 -5.570 -26.583 277 HG1 THR 34 HG1 THR 34 -23.230 -4.619 -25.228 278 HG21 THR 34 HG21 THR 34 -26.482 -6.726 -25.063 279 HG22 THR 34 HG22 THR 34 -26.365 -4.989 -25.347 280 HG23 THR 34 HG23 THR 34 -25.705 -5.688 -23.869 281 HA PRO 35 HA PRO 35 -23.108 -8.734 -29.688 282 HB2 PRO 35 HB2 PRO 35 -24.692 -7.404 -31.447 283 HB3 PRO 35 HB3 PRO 35 -25.177 -8.917 -30.672 284 HG2 PRO 35 HG2 PRO 35 -25.909 -6.103 -29.958 285 HG3 PRO 35 HG3 PRO 35 -26.939 -7.545 -30.022 286 HD2 PRO 35 HD2 PRO 35 -25.956 -6.559 -27.699 287 HD3 PRO 35 HD3 PRO 35 -26.235 -8.293 -27.958 288 H ALA 36 H ALA 36 -23.976 -5.374 -29.003 289 HA ALA 36 HA ALA 36 -22.421 -4.098 -30.926 290 HB1 ALA 36 HB1 ALA 36 -23.742 -3.354 -28.438 291 HB2 ALA 36 HB2 ALA 36 -22.297 -2.398 -28.773 292 HB3 ALA 36 HB3 ALA 36 -23.601 -2.469 -29.958 293 H ASP 37 H ASP 37 -21.492 -5.707 -28.005 294 HA ASP 37 HA ASP 37 -19.063 -4.511 -27.415 295 HB2 ASP 37 HB2 ASP 37 -20.313 -6.405 -26.185 296 HB3 ASP 37 HB3 ASP 37 -19.443 -7.492 -27.264 297 H HIS 38 H HIS 38 -19.913 -6.650 -30.023 298 HA HIS 38 HA HIS 38 -17.392 -7.582 -30.770 299 HB2 HIS 38 HB2 HIS 38 -19.838 -6.966 -32.430 300 HB3 HIS 38 HB3 HIS 38 -18.405 -7.757 -33.079 301 HD1 HIS 38 HD1 HIS 38 -17.923 -9.598 -30.541 302 HD2 HIS 38 HD2 HIS 38 -21.496 -9.166 -32.616 303 HE1 HIS 38 HE1 HIS 38 -19.232 -11.693 -30.069 304 H ALA 39 H ALA 39 -18.926 -4.487 -31.279 305 HA ALA 39 HA ALA 39 -16.987 -3.581 -33.207 306 HB1 ALA 39 HB1 ALA 39 -18.193 -1.310 -32.410 307 HB2 ALA 39 HB2 ALA 39 -18.865 -2.404 -33.619 308 HB3 ALA 39 HB3 ALA 39 -19.417 -2.492 -31.946 309 H ALA 40 H ALA 40 -17.439 -3.400 -29.747 310 HA ALA 40 HA ALA 40 -15.760 -1.289 -29.092 311 HB1 ALA 40 HB1 ALA 40 -17.055 -3.419 -27.715 312 HB2 ALA 40 HB2 ALA 40 -15.394 -3.297 -27.135 313 HB3 ALA 40 HB3 ALA 40 -16.454 -1.889 -27.074 314 H ILE 41 H ILE 41 -14.987 -4.477 -30.216 315 HA ILE 41 HA ILE 41 -12.384 -4.790 -29.298 316 HB ILE 41 HB ILE 41 -13.438 -5.626 -32.002 317 HG12 ILE 41 HG12 ILE 41 -14.873 -6.437 -30.193 318 HG13 ILE 41 HG13 ILE 41 -13.967 -7.767 -30.906 319 HG21 ILE 41 HG21 ILE 41 -11.665 -7.534 -31.177 320 HG22 ILE 41 HG22 ILE 41 -11.305 -6.229 -32.306 321 HG23 ILE 41 HG23 ILE 41 -10.912 -6.049 -30.597 322 HD11 ILE 41 HD11 ILE 41 -12.348 -6.933 -28.846 323 HD12 ILE 41 HD12 ILE 41 -13.976 -6.766 -28.188 324 HD13 ILE 41 HD13 ILE 41 -13.437 -8.320 -28.825 325 H GLU 42 H GLU 42 -13.645 -2.663 -31.722 326 HA GLU 42 HA GLU 42 -11.387 -2.167 -33.267 327 HB2 GLU 42 HB2 GLU 42 -12.436 -0.143 -33.946 328 HB3 GLU 42 HB3 GLU 42 -13.724 -1.307 -33.666 329 HG2 GLU 42 HG2 GLU 42 -13.818 -0.250 -31.301 330 HG3 GLU 42 HG3 GLU 42 -12.962 1.090 -32.061 331 H ALA 43 H ALA 43 -12.245 -1.021 -30.074 332 HA ALA 43 HA ALA 43 -10.143 0.942 -29.959 333 HB1 ALA 43 HB1 ALA 43 -11.358 1.710 -28.272 334 HB2 ALA 43 HB2 ALA 43 -12.450 0.336 -28.447 335 HB3 ALA 43 HB3 ALA 43 -11.067 0.229 -27.358 336 H LEU 44 H LEU 44 -10.700 -2.273 -28.550 337 HA LEU 44 HA LEU 44 -8.400 -2.485 -27.018 338 HB2 LEU 44 HB2 LEU 44 -9.714 -4.703 -28.578 339 HB3 LEU 44 HB3 LEU 44 -8.677 -4.884 -27.165 340 HG LEU 44 HG LEU 44 -11.324 -3.454 -27.073 341 HD11 LEU 44 HD11 LEU 44 -11.411 -6.010 -25.821 342 HD12 LEU 44 HD12 LEU 44 -10.899 -6.214 -27.495 343 HD13 LEU 44 HD13 LEU 44 -12.411 -5.383 -27.131 344 HD21 LEU 44 HD21 LEU 44 -9.813 -2.929 -25.258 345 HD22 LEU 44 HD22 LEU 44 -9.534 -4.644 -24.956 346 HD23 LEU 44 HD23 LEU 44 -11.128 -3.944 -24.666 347 H ASP 45 H ASP 45 -8.806 -2.696 -30.461 348 HA ASP 45 HA ASP 45 -6.565 -4.101 -31.250 349 HB2 ASP 45 HB2 ASP 45 -8.401 -3.124 -32.715 350 HB3 ASP 45 HB3 ASP 45 -7.523 -1.599 -32.640 351 H ARG 46 H ARG 46 -6.806 -0.835 -30.021 352 HA ARG 46 HA ARG 46 -4.268 0.099 -30.786 353 HB2 ARG 46 HB2 ARG 46 -6.356 1.294 -29.671 354 HB3 ARG 46 HB3 ARG 46 -5.458 0.970 -28.194 355 HG2 ARG 46 HG2 ARG 46 -3.744 2.393 -28.760 356 HG3 ARG 46 HG3 ARG 46 -4.075 2.274 -30.490 357 HD2 ARG 46 HD2 ARG 46 -6.334 3.417 -29.829 358 HD3 ARG 46 HD3 ARG 46 -5.430 3.923 -28.402 359 HE ARG 46 HE ARG 46 -5.202 4.990 -31.024 360 HH11 ARG 46 HH11 ARG 46 -3.356 4.232 -28.171 361 HH12 ARG 46 HH12 ARG 46 -2.151 5.441 -28.471 362 HH21 ARG 46 HH21 ARG 46 -3.622 6.584 -31.430 363 HH22 ARG 46 HH22 ARG 46 -2.304 6.779 -30.325 364 H LEU 47 H LEU 47 -5.296 -1.041 -27.562 365 HA LEU 47 HA LEU 47 -2.683 -1.216 -26.523 366 HB2 LEU 47 HB2 LEU 47 -3.636 -2.130 -24.622 367 HB3 LEU 47 HB3 LEU 47 -4.939 -1.155 -25.298 368 HG LEU 47 HG LEU 47 -5.589 -3.486 -26.402 369 HD11 LEU 47 HD11 LEU 47 -4.884 -5.358 -25.349 370 HD12 LEU 47 HD12 LEU 47 -4.715 -4.553 -23.789 371 HD13 LEU 47 HD13 LEU 47 -3.469 -4.356 -25.022 372 HD21 LEU 47 HD21 LEU 47 -7.385 -3.137 -25.147 373 HD22 LEU 47 HD22 LEU 47 -6.480 -1.917 -24.252 374 HD23 LEU 47 HD23 LEU 47 -6.505 -3.588 -23.687 375 H LEU 48 H LEU 48 -4.706 -3.503 -28.249 376 HA LEU 48 HA LEU 48 -3.241 -5.841 -27.727 377 HB2 LEU 48 HB2 LEU 48 -4.967 -5.026 -30.051 378 HB3 LEU 48 HB3 LEU 48 -4.250 -6.630 -29.908 379 HG LEU 48 HG LEU 48 -6.046 -5.514 -27.775 380 HD11 LEU 48 HD11 LEU 48 -7.283 -5.402 -29.870 381 HD12 LEU 48 HD12 LEU 48 -7.905 -6.688 -28.836 382 HD13 LEU 48 HD13 LEU 48 -6.875 -7.084 -30.212 383 HD21 LEU 48 HD21 LEU 48 -4.802 -7.421 -27.084 384 HD22 LEU 48 HD22 LEU 48 -5.152 -8.273 -28.588 385 HD23 LEU 48 HD23 LEU 48 -6.444 -7.966 -27.427 386 H LEU 49 H LEU 49 -2.936 -3.409 -30.281 387 HA LEU 49 HA LEU 49 -0.806 -4.769 -31.621 388 HB2 LEU 49 HB2 LEU 49 -2.238 -3.277 -32.853 389 HB3 LEU 49 HB3 LEU 49 -1.811 -1.934 -31.794 390 HG LEU 49 HG LEU 49 0.624 -2.515 -32.725 391 HD11 LEU 49 HD11 LEU 49 0.448 -3.019 -35.138 392 HD12 LEU 49 HD12 LEU 49 -1.268 -3.359 -34.915 393 HD13 LEU 49 HD13 LEU 49 -0.059 -4.362 -34.113 394 HD21 LEU 49 HD21 LEU 49 -1.328 -0.542 -33.146 395 HD22 LEU 49 HD22 LEU 49 -0.694 -0.955 -34.739 396 HD23 LEU 49 HD23 LEU 49 0.404 -0.433 -33.460 397 H ASP 50 H ASP 50 -1.027 -2.179 -29.243 398 HA ASP 50 HA ASP 50 1.688 -1.417 -29.283 399 HB2 ASP 50 HB2 ASP 50 -0.592 -1.058 -27.394 400 HB3 ASP 50 HB3 ASP 50 1.034 -0.734 -26.799 401 H VAL 51 H VAL 51 -0.044 -3.962 -27.612 402 HA VAL 51 HA VAL 51 2.185 -4.647 -25.913 403 HB VAL 51 HB VAL 51 -0.403 -6.109 -26.453 404 HG11 VAL 51 HG11 VAL 51 2.010 -6.899 -25.032 405 HG12 VAL 51 HG12 VAL 51 0.564 -6.972 -24.024 406 HG13 VAL 51 HG13 VAL 51 0.628 -7.868 -25.542 407 HG21 VAL 51 HG21 VAL 51 0.077 -3.784 -25.003 408 HG22 VAL 51 HG22 VAL 51 -1.354 -4.811 -24.913 409 HG23 VAL 51 HG23 VAL 51 -0.018 -5.059 -23.788 410 H ARG 52 H ARG 52 0.499 -6.242 -28.620 411 HA ARG 52 HA ARG 52 2.209 -8.433 -28.858 412 HB2 ARG 52 HB2 ARG 52 1.202 -8.839 -30.957 413 HB3 ARG 52 HB3 ARG 52 -0.042 -8.066 -29.984 414 HG2 ARG 52 HG2 ARG 52 -0.306 -6.858 -31.874 415 HG3 ARG 52 HG3 ARG 52 0.976 -5.893 -31.139 416 HD2 ARG 52 HD2 ARG 52 1.912 -6.183 -33.186 417 HD3 ARG 52 HD3 ARG 52 2.492 -7.664 -32.425 418 HE ARG 52 HE ARG 52 -0.047 -7.956 -33.741 419 HH11 ARG 52 HH11 ARG 52 3.411 -8.028 -34.137 420 HH12 ARG 52 HH12 ARG 52 3.360 -9.055 -35.532 421 HH21 ARG 52 HH21 ARG 52 -0.127 -9.307 -35.577 422 HH22 ARG 52 HH22 ARG 52 1.348 -9.780 -36.351 423 H ALA 53 H ALA 53 2.515 -5.154 -30.029 424 HA ALA 53 HA ALA 53 4.810 -5.780 -31.687 425 HB1 ALA 53 HB1 ALA 53 3.249 -4.079 -32.442 426 HB2 ALA 53 HB2 ALA 53 3.558 -3.127 -30.989 427 HB3 ALA 53 HB3 ALA 53 4.844 -3.376 -32.170 428 H ARG 54 H ARG 54 4.469 -5.678 -28.496 429 HA ARG 54 HA ARG 54 5.800 -5.233 -26.700 430 HB2 ARG 54 HB2 ARG 54 7.228 -6.757 -28.217 431 HB3 ARG 54 HB3 ARG 54 8.133 -5.298 -28.596 432 HG2 ARG 54 HG2 ARG 54 8.246 -5.096 -25.972 433 HG3 ARG 54 HG3 ARG 54 7.988 -6.840 -26.064 434 HD2 ARG 54 HD2 ARG 54 10.348 -6.420 -26.018 435 HD3 ARG 54 HD3 ARG 54 9.911 -6.982 -27.631 436 HE ARG 54 HE ARG 54 9.882 -4.149 -27.500 437 HH11 ARG 54 HH11 ARG 54 12.030 -6.883 -27.668 438 HH12 ARG 54 HH12 ARG 54 13.302 -6.002 -28.447 439 HH21 ARG 54 HH21 ARG 54 11.550 -2.977 -28.525 440 HH22 ARG 54 HH22 ARG 54 13.029 -3.780 -28.933 441 H ARG 55 H ARG 55 4.692 -2.958 -27.466 442 HA ARG 55 HA ARG 55 6.878 -1.000 -27.248 443 HB2 ARG 55 HB2 ARG 55 4.509 -0.984 -29.084 444 HB3 ARG 55 HB3 ARG 55 5.195 0.537 -28.529 445 HG2 ARG 55 HG2 ARG 55 6.967 -1.538 -29.739 446 HG3 ARG 55 HG3 ARG 55 5.983 -0.498 -30.771 447 HD2 ARG 55 HD2 ARG 55 7.841 0.547 -28.644 448 HD3 ARG 55 HD3 ARG 55 8.324 0.313 -30.323 449 HE ARG 55 HE ARG 55 6.728 2.442 -29.270 450 HH11 ARG 55 HH11 ARG 55 7.371 0.520 -32.101 451 HH12 ARG 55 HH12 ARG 55 6.818 1.732 -33.209 452 HH21 ARG 55 HH21 ARG 55 5.997 4.045 -30.719 453 HH22 ARG 55 HH22 ARG 55 6.037 3.737 -32.422 454 H VAL 56 H VAL 56 5.087 -2.304 -25.265 455 HA VAL 56 HA VAL 56 3.472 -0.045 -24.339 456 HB VAL 56 HB VAL 56 2.462 -2.321 -24.382 457 HG11 VAL 56 HG11 VAL 56 3.858 -3.150 -21.933 458 HG12 VAL 56 HG12 VAL 56 3.332 -4.104 -23.322 459 HG13 VAL 56 HG13 VAL 56 4.836 -3.186 -23.400 460 HG21 VAL 56 HG21 VAL 56 1.699 -0.505 -22.852 461 HG22 VAL 56 HG22 VAL 56 1.365 -2.132 -22.259 462 HG23 VAL 56 HG23 VAL 56 2.711 -1.209 -21.591 463 H ASP 57 H ASP 57 3.675 0.793 -22.224 464 HA ASP 57 HA ASP 57 6.266 0.246 -20.931 465 HB2 ASP 57 HB2 ASP 57 6.375 2.627 -20.307 466 HB3 ASP 57 HB3 ASP 57 6.344 2.413 -22.055 467 H GLN 58 H GLN 58 6.169 1.425 -18.625 468 HA GLN 58 HA GLN 58 3.907 0.169 -17.271 469 HB2 GLN 58 HB2 GLN 58 5.230 0.455 -15.225 470 HB3 GLN 58 HB3 GLN 58 6.143 -0.391 -16.467 471 HG2 GLN 58 HG2 GLN 58 6.443 2.555 -16.275 472 HG3 GLN 58 HG3 GLN 58 7.200 1.553 -15.037 473 HE21 GLN 58 HE21 GLN 58 7.737 3.052 -17.876 474 HE22 GLN 58 HE22 GLN 58 9.022 2.079 -18.496 475 H PHE 59 H PHE 59 2.533 1.249 -15.877 476 HA PHE 59 HA PHE 59 2.837 4.020 -15.255 477 HB2 PHE 59 HB2 PHE 59 2.034 3.935 -17.707 478 HB3 PHE 59 HB3 PHE 59 0.492 3.410 -17.040 479 HD1 PHE 59 HD2 PHE 59 3.013 6.130 -16.767 480 HD2 PHE 59 HD1 PHE 59 -1.064 4.979 -16.362 481 HE1 PHE 59 HE2 PHE 59 2.394 8.477 -16.365 482 HE2 PHE 59 HE1 PHE 59 -1.690 7.324 -15.960 483 HZ PHE 59 HZ PHE 59 0.040 9.077 -15.960 484 H GLN 60 H GLN 60 0.919 4.867 -14.063 485 HA GLN 60 HA GLN 60 -0.824 2.789 -12.972 486 HB2 GLN 60 HB2 GLN 60 -0.355 3.533 -10.659 487 HB3 GLN 60 HB3 GLN 60 1.049 2.816 -11.439 488 HG2 GLN 60 HG2 GLN 60 2.032 4.626 -10.495 489 HG3 GLN 60 HG3 GLN 60 1.563 5.331 -12.042 490 HE21 GLN 60 HE21 GLN 60 0.156 4.748 -8.833 491 HE22 GLN 60 HE22 GLN 60 -0.584 6.303 -8.688 492 H ILE 61 H ILE 61 -2.826 3.498 -12.410 493 HA ILE 61 HA ILE 61 -3.530 6.184 -13.222 494 HB ILE 61 HB ILE 61 -5.324 4.035 -12.090 495 HG12 ILE 61 HG12 ILE 61 -4.797 4.727 -14.988 496 HG13 ILE 61 HG13 ILE 61 -4.115 3.333 -14.157 497 HG21 ILE 61 HG21 ILE 61 -6.019 6.438 -13.770 498 HG22 ILE 61 HG22 ILE 61 -7.136 5.292 -13.031 499 HG23 ILE 61 HG23 ILE 61 -6.179 6.369 -12.015 500 HD11 ILE 61 HD11 ILE 61 -5.905 2.166 -14.705 501 HD12 ILE 61 HD12 ILE 61 -6.904 3.263 -13.751 502 HD13 ILE 61 HD13 ILE 61 -6.624 3.587 -15.462 503 H ASN 62 H ASN 62 -3.870 4.235 -10.258 504 HA ASN 62 HA ASN 62 -3.895 6.749 -8.726 505 HB2 ASN 62 HB2 ASN 62 -5.716 4.382 -8.530 506 HB3 ASN 62 HB3 ASN 62 -5.341 5.296 -7.072 507 HD21 ASN 62 HD21 ASN 62 -7.347 5.058 -9.718 508 HD22 ASN 62 HD22 ASN 62 -8.071 6.625 -9.647 509 H ALA 63 H ALA 63 -3.298 6.407 -6.400 510 HA ALA 63 HA ALA 63 -0.961 4.667 -6.286 511 HB1 ALA 63 HB1 ALA 63 -1.251 7.217 -5.511 512 HB2 ALA 63 HB2 ALA 63 -1.618 6.403 -3.989 513 HB3 ALA 63 HB3 ALA 63 -0.075 6.115 -4.794 514 H SER 64 H SER 64 -4.130 5.019 -4.874 515 HA SER 64 HA SER 64 -3.634 3.103 -2.768 516 HB2 SER 64 HB2 SER 64 -6.160 4.474 -3.714 517 HB3 SER 64 HB3 SER 64 -6.099 3.360 -2.348 518 HG SER 64 HG SER 64 -5.302 5.975 -2.516 519 H ALA 65 H ALA 65 -5.231 3.171 -5.908 520 HA ALA 65 HA ALA 65 -6.386 0.586 -5.739 521 HB1 ALA 65 HB1 ALA 65 -6.499 0.809 -8.265 522 HB2 ALA 65 HB2 ALA 65 -7.322 2.054 -7.324 523 HB3 ALA 65 HB3 ALA 65 -5.753 2.394 -8.055 524 H ALA 66 H ALA 66 -5.770 -1.282 -7.050 525 HA ALA 66 HA ALA 66 -3.157 -2.134 -6.553 526 HB1 ALA 66 HB1 ALA 66 -4.631 -3.401 -8.790 527 HB2 ALA 66 HB2 ALA 66 -3.800 -4.134 -7.418 528 HB3 ALA 66 HB3 ALA 66 -5.396 -3.415 -7.201 529 H GLN 67 H GLN 67 -1.356 -1.364 -7.431 530 HA GLN 67 HA GLN 67 -1.403 -0.264 -10.132 531 HB2 GLN 67 HB2 GLN 67 0.951 -0.312 -8.252 532 HB3 GLN 67 HB3 GLN 67 0.680 0.756 -9.623 533 HG2 GLN 67 HG2 GLN 67 -1.135 1.849 -8.444 534 HG3 GLN 67 HG3 GLN 67 -0.935 0.747 -7.083 535 HE21 GLN 67 HE21 GLN 67 1.462 2.449 -9.050 536 HE22 GLN 67 HE22 GLN 67 2.181 3.315 -7.739 537 H ILE 68 H ILE 68 -0.030 -0.956 -11.788 538 HA ILE 68 HA ILE 68 1.344 -3.518 -11.357 539 HB ILE 68 HB ILE 68 -0.385 -2.903 -13.756 540 HG12 ILE 68 HG12 ILE 68 -1.573 -5.034 -12.691 541 HG13 ILE 68 HG13 ILE 68 -0.891 -4.372 -11.209 542 HG21 ILE 68 HG21 ILE 68 1.767 -4.665 -13.461 543 HG22 ILE 68 HG22 ILE 68 0.317 -5.665 -13.383 544 HG23 ILE 68 HG23 ILE 68 0.592 -4.618 -14.775 545 HD11 ILE 68 HD11 ILE 68 -3.216 -3.558 -12.663 546 HD12 ILE 68 HD12 ILE 68 -2.644 -3.035 -11.078 547 HD13 ILE 68 HD13 ILE 68 -2.080 -2.215 -12.534 548 H ILE 69 H ILE 69 3.383 -2.670 -11.460 549 HA ILE 69 HA ILE 69 4.144 -0.865 -13.585 550 HB ILE 69 HB ILE 69 5.870 -2.228 -11.515 551 HG12 ILE 69 HG12 ILE 69 5.827 0.296 -10.693 552 HG13 ILE 69 HG13 ILE 69 4.275 0.296 -11.524 553 HG21 ILE 69 HG21 ILE 69 7.170 -1.540 -13.430 554 HG22 ILE 69 HG22 ILE 69 6.442 0.066 -13.385 555 HG23 ILE 69 HG23 ILE 69 7.500 -0.460 -12.075 556 HD11 ILE 69 HD11 ILE 69 3.363 -1.267 -10.073 557 HD12 ILE 69 HD12 ILE 69 4.945 -1.814 -9.514 558 HD13 ILE 69 HD13 ILE 69 4.332 -0.236 -9.019 559 H VAL 70 H VAL 70 4.502 -1.603 -15.567 560 HA VAL 70 HA VAL 70 4.971 -4.310 -16.211 561 HB VAL 70 HB VAL 70 5.490 -1.854 -17.892 562 HG11 VAL 70 HG11 VAL 70 4.833 -3.944 -19.568 563 HG12 VAL 70 HG12 VAL 70 6.453 -3.296 -19.298 564 HG13 VAL 70 HG13 VAL 70 5.894 -4.692 -18.375 565 HG21 VAL 70 HG21 VAL 70 3.079 -2.838 -16.916 566 HG22 VAL 70 HG22 VAL 70 3.296 -1.701 -18.247 567 HG23 VAL 70 HG23 VAL 70 3.164 -3.428 -18.576 568 H THR 71 H THR 71 6.788 -5.470 -16.418 569 HA THR 71 HA THR 71 9.347 -4.079 -15.982 570 HB THR 71 HB THR 71 10.167 -6.415 -15.334 571 HG1 THR 71 HG1 THR 71 8.633 -7.932 -14.880 572 HG21 THR 71 HG21 THR 71 8.031 -5.348 -13.504 573 HG22 THR 71 HG22 THR 71 9.544 -4.484 -13.778 574 HG23 THR 71 HG23 THR 71 9.567 -6.103 -13.079 575 H ASP 72 H ASP 72 9.560 -3.592 -18.233 576 HA ASP 72 HA ASP 72 9.435 -5.372 -20.346 577 HB2 ASP 72 HB2 ASP 72 9.691 -3.076 -20.862 578 HB3 ASP 72 HB3 ASP 72 11.155 -2.939 -19.891 Start of MODEL 2 1 H1 MET 1 H MET 1 1.346 -0.957 0.471 2 HA MET 1 HA MET 1 1.352 0.429 -2.114 3 HB2 MET 1 HB2 MET 1 3.522 0.882 -1.093 4 HB3 MET 1 HB3 MET 1 3.771 -0.836 -0.815 5 HG2 MET 1 HG2 MET 1 5.049 -0.217 -2.714 6 HG3 MET 1 HG3 MET 1 3.683 -1.177 -3.278 7 HE1 MET 1 HE1 MET 1 5.331 2.080 -5.130 8 HE2 MET 1 HE2 MET 1 5.633 0.384 -4.752 9 HE3 MET 1 HE3 MET 1 4.553 0.813 -6.080 10 H ASP 2 H ASP 2 0.489 -0.853 -3.595 11 HA ASP 2 HA ASP 2 0.820 -3.767 -3.301 12 HB2 ASP 2 HB2 ASP 2 -1.548 -2.151 -4.221 13 HB3 ASP 2 HB3 ASP 2 -1.371 -3.849 -4.655 14 H ARG 3 H ARG 3 2.830 -2.691 -4.576 15 HA ARG 3 HA ARG 3 2.488 -2.143 -7.323 16 HB2 ARG 3 HB2 ARG 3 4.916 -2.476 -7.492 17 HB3 ARG 3 HB3 ARG 3 4.496 -1.469 -6.113 18 HG2 ARG 3 HG2 ARG 3 4.589 -3.704 -4.790 19 HG3 ARG 3 HG3 ARG 3 5.539 -4.263 -6.168 20 HD2 ARG 3 HD2 ARG 3 6.929 -2.134 -5.817 21 HD3 ARG 3 HD3 ARG 3 6.146 -2.045 -4.240 22 HE ARG 3 HE ARG 3 8.206 -3.874 -5.050 23 HH11 ARG 3 HH11 ARG 3 5.545 -3.354 -2.866 24 HH12 ARG 3 HH12 ARG 3 6.143 -4.452 -1.668 25 HH21 ARG 3 HH21 ARG 3 9.004 -5.323 -3.480 26 HH22 ARG 3 HH22 ARG 3 8.112 -5.571 -2.017 27 H ILE 4 H ILE 4 3.109 -3.450 -9.140 28 HA ILE 4 HA ILE 4 3.148 -6.342 -8.693 29 HB ILE 4 HB ILE 4 1.220 -4.988 -10.585 30 HG12 ILE 4 HG12 ILE 4 0.660 -6.679 -8.141 31 HG13 ILE 4 HG13 ILE 4 0.588 -4.921 -8.168 32 HG21 ILE 4 HG21 ILE 4 0.395 -7.382 -10.853 33 HG22 ILE 4 HG22 ILE 4 1.912 -6.964 -11.647 34 HG23 ILE 4 HG23 ILE 4 1.930 -7.871 -10.135 35 HD11 ILE 4 HD11 ILE 4 -1.006 -5.977 -10.292 36 HD12 ILE 4 HD12 ILE 4 -1.455 -6.737 -8.765 37 HD13 ILE 4 HD13 ILE 4 -1.487 -4.981 -8.918 38 H PHE 5 H PHE 5 5.030 -6.890 -9.588 39 HA PHE 5 HA PHE 5 5.999 -5.526 -11.962 40 HB2 PHE 5 HB2 PHE 5 7.205 -7.624 -10.159 41 HB3 PHE 5 HB3 PHE 5 7.998 -7.054 -11.624 42 HD1 PHE 5 HD2 PHE 5 7.868 -4.299 -11.726 43 HD2 PHE 5 HD1 PHE 5 8.059 -6.733 -8.239 44 HE1 PHE 5 HE2 PHE 5 8.835 -2.418 -10.470 45 HE2 PHE 5 HE1 PHE 5 9.026 -4.855 -6.977 46 HZ PHE 5 HZ PHE 5 9.416 -2.694 -8.093 47 H MET 6 H MET 6 5.540 -6.207 -13.939 48 HA MET 6 HA MET 6 5.141 -9.087 -14.385 49 HB2 MET 6 HB2 MET 6 3.356 -6.816 -15.070 50 HB3 MET 6 HB3 MET 6 3.523 -8.086 -16.276 51 HG2 MET 6 HG2 MET 6 2.428 -9.618 -15.022 52 HG3 MET 6 HG3 MET 6 3.001 -8.944 -13.498 53 HE1 MET 6 HE1 MET 6 0.037 -9.940 -13.597 54 HE2 MET 6 HE2 MET 6 0.813 -9.127 -12.238 55 HE3 MET 6 HE3 MET 6 -0.757 -8.570 -12.819 56 H THR 7 H THR 7 5.887 -9.905 -16.332 57 HA THR 7 HA THR 7 7.968 -8.359 -17.593 58 HB THR 7 HB THR 7 8.495 -10.375 -18.838 59 HG1 THR 7 HG1 THR 7 7.000 -11.822 -19.204 60 HG21 THR 7 HG21 THR 7 7.809 -11.049 -15.974 61 HG22 THR 7 HG22 THR 7 9.270 -10.216 -16.504 62 HG23 THR 7 HG23 THR 7 8.981 -11.886 -16.991 63 H ARG 8 H ARG 8 8.079 -8.877 -20.145 64 HA ARG 8 HA ARG 8 6.296 -7.164 -21.381 65 HB2 ARG 8 HB2 ARG 8 7.049 -8.234 -23.523 66 HB3 ARG 8 HB3 ARG 8 8.354 -7.708 -22.467 67 HG2 ARG 8 HG2 ARG 8 8.535 -10.058 -21.647 68 HG3 ARG 8 HG3 ARG 8 7.372 -10.518 -22.891 69 HD2 ARG 8 HD2 ARG 8 9.864 -9.005 -23.586 70 HD3 ARG 8 HD3 ARG 8 9.892 -10.757 -23.393 71 HE ARG 8 HE ARG 8 7.852 -10.385 -25.113 72 HH11 ARG 8 HH11 ARG 8 11.138 -9.236 -25.060 73 HH12 ARG 8 HH12 ARG 8 11.278 -9.163 -26.785 74 HH21 ARG 8 HH21 ARG 8 8.024 -10.293 -27.385 75 HH22 ARG 8 HH22 ARG 8 9.506 -9.764 -28.107 76 H THR 9 H THR 9 6.123 -10.674 -21.025 77 HA THR 9 HA THR 9 3.663 -10.845 -22.538 78 HB THR 9 HB THR 9 4.938 -13.010 -20.860 79 HG1 THR 9 HG1 THR 9 5.298 -12.595 -23.651 80 HG21 THR 9 HG21 THR 9 3.745 -14.159 -23.053 81 HG22 THR 9 HG22 THR 9 2.631 -12.853 -22.646 82 HG23 THR 9 HG23 THR 9 3.046 -14.068 -21.437 83 H GLU 10 H GLU 10 4.665 -11.191 -19.150 84 HA GLU 10 HA GLU 10 2.160 -11.858 -18.090 85 HB2 GLU 10 HB2 GLU 10 4.674 -11.567 -17.069 86 HB3 GLU 10 HB3 GLU 10 3.862 -10.166 -16.385 87 HG2 GLU 10 HG2 GLU 10 3.606 -11.846 -14.790 88 HG3 GLU 10 HG3 GLU 10 2.054 -11.776 -15.622 89 H ALA 11 H ALA 11 3.349 -8.895 -19.323 90 HA ALA 11 HA ALA 11 1.998 -6.963 -17.896 91 HB1 ALA 11 HB1 ALA 11 3.557 -6.904 -20.070 92 HB2 ALA 11 HB2 ALA 11 1.989 -6.636 -20.834 93 HB3 ALA 11 HB3 ALA 11 2.552 -5.543 -19.569 94 H LEU 12 H LEU 12 0.738 -9.284 -20.170 95 HA LEU 12 HA LEU 12 -1.664 -8.156 -20.914 96 HB2 LEU 12 HB2 LEU 12 -1.236 -11.045 -20.170 97 HB3 LEU 12 HB3 LEU 12 -2.500 -10.405 -21.219 98 HG LEU 12 HG LEU 12 0.350 -9.977 -21.983 99 HD11 LEU 12 HD11 LEU 12 0.242 -12.343 -21.364 100 HD12 LEU 12 HD12 LEU 12 0.422 -12.131 -23.106 101 HD13 LEU 12 HD13 LEU 12 -1.150 -12.555 -22.427 102 HD21 LEU 12 HD21 LEU 12 -0.775 -9.070 -23.682 103 HD22 LEU 12 HD22 LEU 12 -2.294 -9.817 -23.185 104 HD23 LEU 12 HD23 LEU 12 -1.146 -10.724 -24.171 105 H GLU 13 H GLU 13 -0.946 -10.003 -17.966 106 HA GLU 13 HA GLU 13 -3.467 -10.114 -16.852 107 HB2 GLU 13 HB2 GLU 13 -1.491 -11.241 -15.910 108 HB3 GLU 13 HB3 GLU 13 -0.852 -9.686 -15.396 109 HG2 GLU 13 HG2 GLU 13 -1.917 -10.972 -13.578 110 HG3 GLU 13 HG3 GLU 13 -2.645 -9.388 -13.842 111 H PHE 14 H PHE 14 -1.111 -7.479 -16.720 112 HA PHE 14 HA PHE 14 -2.634 -5.831 -14.978 113 HB2 PHE 14 HB2 PHE 14 -0.276 -5.437 -15.141 114 HB3 PHE 14 HB3 PHE 14 -0.374 -5.221 -16.886 115 HD1 PHE 14 HD2 PHE 14 -2.476 -3.786 -14.174 116 HD2 PHE 14 HD1 PHE 14 0.326 -3.057 -17.294 117 HE1 PHE 14 HE2 PHE 14 -2.754 -1.362 -13.854 118 HE2 PHE 14 HE1 PHE 14 0.053 -0.633 -16.978 119 HZ PHE 14 HZ PHE 14 -1.490 0.218 -15.257 120 H LEU 15 H LEU 15 -2.191 -5.866 -18.503 121 HA LEU 15 HA LEU 15 -3.701 -3.659 -19.185 122 HB2 LEU 15 HB2 LEU 15 -3.096 -6.241 -20.547 123 HB3 LEU 15 HB3 LEU 15 -4.269 -5.144 -21.273 124 HG LEU 15 HG LEU 15 -1.411 -4.422 -20.631 125 HD11 LEU 15 HD11 LEU 15 -1.207 -4.445 -23.153 126 HD12 LEU 15 HD12 LEU 15 -2.720 -5.350 -23.173 127 HD13 LEU 15 HD13 LEU 15 -1.304 -6.019 -22.362 128 HD21 LEU 15 HD21 LEU 15 -2.642 -2.436 -20.631 129 HD22 LEU 15 HD22 LEU 15 -3.690 -2.975 -21.943 130 HD23 LEU 15 HD23 LEU 15 -2.010 -2.549 -22.273 131 H LEU 16 H LEU 16 -4.796 -6.978 -18.599 132 HA LEU 16 HA LEU 16 -7.559 -6.294 -19.071 133 HB2 LEU 16 HB2 LEU 16 -6.192 -8.599 -19.278 134 HB3 LEU 16 HB3 LEU 16 -6.874 -8.800 -17.665 135 HG LEU 16 HG LEU 16 -8.249 -9.877 -19.375 136 HD11 LEU 16 HD11 LEU 16 -9.912 -7.561 -18.571 137 HD12 LEU 16 HD12 LEU 16 -9.129 -8.485 -17.289 138 HD13 LEU 16 HD13 LEU 16 -10.220 -9.291 -18.416 139 HD21 LEU 16 HD21 LEU 16 -8.708 -8.938 -21.334 140 HD22 LEU 16 HD22 LEU 16 -7.654 -7.599 -20.879 141 HD23 LEU 16 HD23 LEU 16 -9.385 -7.509 -20.553 142 H LYS 17 H LYS 17 -5.401 -6.525 -16.362 143 HA LYS 17 HA LYS 17 -7.250 -6.813 -14.276 144 HB2 LYS 17 HB2 LYS 17 -4.921 -7.093 -13.814 145 HB3 LYS 17 HB3 LYS 17 -4.548 -5.472 -14.387 146 HG2 LYS 17 HG2 LYS 17 -5.774 -4.521 -12.500 147 HG3 LYS 17 HG3 LYS 17 -6.149 -6.147 -11.926 148 HD2 LYS 17 HD2 LYS 17 -3.297 -5.483 -12.415 149 HD3 LYS 17 HD3 LYS 17 -4.075 -4.758 -11.006 150 HE2 LYS 17 HE2 LYS 17 -3.281 -6.713 -10.103 151 HE3 LYS 17 HE3 LYS 17 -4.902 -7.208 -10.587 152 HZ1 LYS 17 HZ1 LYS 17 -2.688 -8.533 -11.247 153 HZ2 LYS 17 HZ2 LYS 17 -2.844 -7.535 -12.603 154 HZ3 LYS 17 HZ3 LYS 17 -4.108 -8.571 -12.166 155 H ALA 18 H ALA 18 -5.842 -3.853 -15.672 156 HA ALA 18 HA ALA 18 -7.112 -1.969 -14.106 157 HB1 ALA 18 HB1 ALA 18 -6.270 -0.456 -15.542 158 HB2 ALA 18 HB2 ALA 18 -5.440 -1.853 -16.228 159 HB3 ALA 18 HB3 ALA 18 -6.937 -1.271 -16.957 160 H HIS 19 H HIS 19 -8.326 -3.616 -16.995 161 HA HIS 19 HA HIS 19 -10.762 -2.154 -17.133 162 HB2 HIS 19 HB2 HIS 19 -9.623 -3.518 -18.989 163 HB3 HIS 19 HB3 HIS 19 -10.356 -4.929 -18.233 164 HD1 HIS 19 HD1 HIS 19 -12.079 -5.513 -19.959 165 HD2 HIS 19 HD2 HIS 19 -12.234 -1.515 -18.841 166 HE1 HIS 19 HE1 HIS 19 -14.153 -4.592 -21.043 167 H GLN 20 H GLN 20 -9.801 -5.191 -15.625 168 HA GLN 20 HA GLN 20 -12.327 -6.155 -14.931 169 HB2 GLN 20 HB2 GLN 20 -10.196 -7.430 -14.748 170 HB3 GLN 20 HB3 GLN 20 -9.772 -6.459 -13.344 171 HG2 GLN 20 HG2 GLN 20 -10.634 -8.318 -12.340 172 HG3 GLN 20 HG3 GLN 20 -12.069 -7.299 -12.434 173 HE21 GLN 20 HE21 GLN 20 -10.340 -9.889 -14.089 174 HE22 GLN 20 HE22 GLN 20 -11.741 -10.631 -14.775 175 H THR 21 H THR 21 -10.235 -3.820 -13.328 176 HA THR 21 HA THR 21 -11.976 -3.585 -11.035 177 HB THR 21 HB THR 21 -10.392 -1.480 -10.698 178 HG1 THR 21 HG1 THR 21 -8.623 -3.129 -12.143 179 HG21 THR 21 HG21 THR 21 -8.714 -3.035 -9.647 180 HG22 THR 21 HG22 THR 21 -9.628 -4.375 -10.342 181 HG23 THR 21 HG23 THR 21 -10.388 -3.306 -9.164 182 H ALA 22 H ALA 22 -11.289 -1.775 -13.977 183 HA ALA 22 HA ALA 22 -12.708 0.567 -13.361 184 HB1 ALA 22 HB1 ALA 22 -11.151 0.425 -15.230 185 HB2 ALA 22 HB2 ALA 22 -12.235 -0.692 -16.060 186 HB3 ALA 22 HB3 ALA 22 -12.738 0.973 -15.771 187 H VAL 23 H VAL 23 -13.743 -2.393 -15.038 188 HA VAL 23 HA VAL 23 -16.362 -1.589 -15.615 189 HB VAL 23 HB VAL 23 -15.391 -4.392 -15.038 190 HG11 VAL 23 HG11 VAL 23 -17.882 -3.300 -16.304 191 HG12 VAL 23 HG12 VAL 23 -17.297 -4.924 -16.670 192 HG13 VAL 23 HG13 VAL 23 -17.726 -4.493 -15.015 193 HG21 VAL 23 HG21 VAL 23 -14.304 -4.351 -16.975 194 HG22 VAL 23 HG22 VAL 23 -15.748 -3.794 -17.819 195 HG23 VAL 23 HG23 VAL 23 -14.645 -2.625 -17.095 196 H ASP 24 H ASP 24 -14.927 -2.874 -12.696 197 HA ASP 24 HA ASP 24 -17.475 -3.303 -11.402 198 HB2 ASP 24 HB2 ASP 24 -15.823 -4.820 -10.698 199 HB3 ASP 24 HB3 ASP 24 -14.607 -3.556 -10.534 200 H LYS 25 H LYS 25 -15.090 -0.793 -11.634 201 HA LYS 25 HA LYS 25 -15.612 0.685 -9.338 202 HB2 LYS 25 HB2 LYS 25 -13.761 1.184 -10.863 203 HB3 LYS 25 HB3 LYS 25 -14.903 1.694 -12.099 204 HG2 LYS 25 HG2 LYS 25 -15.636 3.533 -10.674 205 HG3 LYS 25 HG3 LYS 25 -14.503 3.017 -9.423 206 HD2 LYS 25 HD2 LYS 25 -12.637 3.604 -10.714 207 HD3 LYS 25 HD3 LYS 25 -13.579 3.669 -12.205 208 HE2 LYS 25 HE2 LYS 25 -12.977 5.906 -11.370 209 HE3 LYS 25 HE3 LYS 25 -14.722 5.658 -11.435 210 HZ1 LYS 25 HZ1 LYS 25 -13.551 6.682 -9.332 211 HZ2 LYS 25 HZ2 LYS 25 -13.353 5.053 -8.923 212 HZ3 LYS 25 HZ3 LYS 25 -14.903 5.676 -9.185 213 H ILE 26 H ILE 26 -17.417 0.430 -12.322 214 HA ILE 26 HA ILE 26 -19.162 2.641 -11.703 215 HB ILE 26 HB ILE 26 -19.439 0.499 -13.815 216 HG12 ILE 26 HG12 ILE 26 -18.493 3.353 -14.126 217 HG13 ILE 26 HG13 ILE 26 -17.403 1.980 -13.968 218 HG21 ILE 26 HG21 ILE 26 -20.938 2.259 -14.869 219 HG22 ILE 26 HG22 ILE 26 -21.583 1.402 -13.470 220 HG23 ILE 26 HG23 ILE 26 -20.954 3.039 -13.288 221 HD11 ILE 26 HD11 ILE 26 -18.533 3.016 -16.305 222 HD12 ILE 26 HD12 ILE 26 -17.565 1.552 -16.128 223 HD13 ILE 26 HD13 ILE 26 -19.323 1.464 -16.026 224 H GLY 27 H GLY 27 -19.063 -0.756 -11.081 225 HA2 GLY 27 HA2 GLY 27 -20.423 -2.085 -9.788 226 HA3 GLY 27 HA3 GLY 27 -21.256 -0.622 -9.283 227 H HIS 28 H HIS 28 -21.041 -1.313 -12.660 228 HA HIS 28 HA HIS 28 -23.837 -2.240 -12.645 229 HB2 HIS 28 HB2 HIS 28 -22.512 -0.149 -14.348 230 HB3 HIS 28 HB3 HIS 28 -23.924 -1.021 -14.938 231 HD1 HIS 28 HD1 HIS 28 -25.544 -1.087 -12.287 232 HD2 HIS 28 HD2 HIS 28 -23.659 2.277 -13.833 233 HE1 HIS 28 HE1 HIS 28 -26.751 0.880 -11.287 234 HA PRO 29 HA PRO 29 -22.618 -5.610 -15.174 235 HB2 PRO 29 HB2 PRO 29 -24.784 -5.908 -16.783 236 HB3 PRO 29 HB3 PRO 29 -24.795 -6.337 -15.068 237 HG2 PRO 29 HG2 PRO 29 -25.823 -3.865 -16.409 238 HG3 PRO 29 HG3 PRO 29 -26.566 -4.830 -15.121 239 HD2 PRO 29 HD2 PRO 29 -25.249 -2.515 -14.632 240 HD3 PRO 29 HD3 PRO 29 -25.271 -3.863 -13.477 241 H SER 30 H SER 30 -21.629 -6.080 -17.099 242 HA SER 30 HA SER 30 -21.765 -4.027 -19.208 243 HB2 SER 30 HB2 SER 30 -19.346 -4.510 -19.653 244 HB3 SER 30 HB3 SER 30 -19.644 -3.765 -18.083 245 HG SER 30 HG SER 30 -19.672 -6.040 -17.299 246 H HIS 31 H HIS 31 -23.075 -6.712 -18.782 247 HA HIS 31 HA HIS 31 -22.166 -7.961 -21.292 248 HB2 HIS 31 HB2 HIS 31 -23.126 -10.103 -20.298 249 HB3 HIS 31 HB3 HIS 31 -21.628 -9.512 -19.585 250 HD1 HIS 31 HD1 HIS 31 -21.896 -8.257 -17.235 251 HD2 HIS 31 HD2 HIS 31 -25.204 -10.402 -18.544 252 HE1 HIS 31 HE1 HIS 31 -23.354 -8.549 -15.206 253 H LYS 32 H LYS 32 -23.596 -7.223 -22.756 254 HA LYS 32 HA LYS 32 -26.374 -8.013 -22.439 255 HB2 LYS 32 HB2 LYS 32 -25.880 -5.534 -21.644 256 HB3 LYS 32 HB3 LYS 32 -25.929 -5.212 -23.372 257 HG2 LYS 32 HG2 LYS 32 -28.151 -6.758 -22.134 258 HG3 LYS 32 HG3 LYS 32 -28.082 -5.010 -21.900 259 HD2 LYS 32 HD2 LYS 32 -27.729 -6.069 -24.656 260 HD3 LYS 32 HD3 LYS 32 -29.350 -6.098 -23.958 261 HE2 LYS 32 HE2 LYS 32 -27.657 -3.619 -23.921 262 HE3 LYS 32 HE3 LYS 32 -28.661 -4.032 -25.310 263 HZ1 LYS 32 HZ1 LYS 32 -29.708 -2.518 -23.638 264 HZ2 LYS 32 HZ2 LYS 32 -29.728 -3.816 -22.553 265 HZ3 LYS 32 HZ3 LYS 32 -30.605 -3.907 -23.997 266 H GLN 33 H GLN 33 -27.015 -8.944 -24.262 267 HA GLN 33 HA GLN 33 -25.450 -9.130 -26.558 268 HB2 GLN 33 HB2 GLN 33 -27.503 -10.038 -27.644 269 HB3 GLN 33 HB3 GLN 33 -27.129 -10.787 -26.097 270 HG2 GLN 33 HG2 GLN 33 -28.785 -9.143 -25.084 271 HG3 GLN 33 HG3 GLN 33 -29.295 -8.817 -26.740 272 HE21 GLN 33 HE21 GLN 33 -29.058 -11.261 -24.247 273 HE22 GLN 33 HE22 GLN 33 -30.255 -12.320 -24.902 274 H THR 34 H THR 34 -24.918 -7.561 -27.915 275 HA THR 34 HA THR 34 -26.990 -5.877 -29.056 276 HB THR 34 HB THR 34 -25.275 -3.882 -28.698 277 HG1 THR 34 HG1 THR 34 -24.333 -4.038 -26.616 278 HG21 THR 34 HG21 THR 34 -27.173 -4.768 -26.521 279 HG22 THR 34 HG22 THR 34 -27.655 -3.949 -28.007 280 HG23 THR 34 HG23 THR 34 -26.626 -3.122 -26.838 281 HA PRO 35 HA PRO 35 -24.571 -6.183 -32.705 282 HB2 PRO 35 HB2 PRO 35 -24.999 -3.775 -33.883 283 HB3 PRO 35 HB3 PRO 35 -26.238 -5.031 -33.789 284 HG2 PRO 35 HG2 PRO 35 -25.862 -2.609 -32.070 285 HG3 PRO 35 HG3 PRO 35 -27.358 -3.279 -32.747 286 HD2 PRO 35 HD2 PRO 35 -26.613 -3.686 -30.176 287 HD3 PRO 35 HD3 PRO 35 -27.528 -4.889 -31.107 288 H ALA 36 H ALA 36 -24.054 -3.304 -30.735 289 HA ALA 36 HA ALA 36 -21.685 -2.407 -31.955 290 HB1 ALA 36 HB1 ALA 36 -22.731 -0.868 -30.550 291 HB2 ALA 36 HB2 ALA 36 -22.859 -2.023 -29.223 292 HB3 ALA 36 HB3 ALA 36 -21.289 -1.344 -29.653 293 H ASP 37 H ASP 37 -22.314 -5.003 -29.754 294 HA ASP 37 HA ASP 37 -19.876 -5.354 -28.502 295 HB2 ASP 37 HB2 ASP 37 -21.880 -6.699 -28.008 296 HB3 ASP 37 HB3 ASP 37 -21.709 -7.517 -29.558 297 H HIS 38 H HIS 38 -20.786 -6.033 -31.805 298 HA HIS 38 HA HIS 38 -18.568 -7.667 -32.469 299 HB2 HIS 38 HB2 HIS 38 -20.746 -7.412 -33.768 300 HB3 HIS 38 HB3 HIS 38 -20.083 -5.905 -34.393 301 HD1 HIS 38 HD1 HIS 38 -19.782 -9.604 -34.683 302 HD2 HIS 38 HD2 HIS 38 -17.973 -6.203 -36.238 303 HE1 HIS 38 HE1 HIS 38 -18.405 -10.405 -36.629 304 H ALA 39 H ALA 39 -19.136 -4.192 -32.563 305 HA ALA 39 HA ALA 39 -16.671 -3.585 -33.892 306 HB1 ALA 39 HB1 ALA 39 -17.529 -1.537 -34.083 307 HB2 ALA 39 HB2 ALA 39 -19.001 -2.202 -33.372 308 HB3 ALA 39 HB3 ALA 39 -17.808 -1.404 -32.346 309 H ALA 40 H ALA 40 -17.669 -4.055 -30.604 310 HA ALA 40 HA ALA 40 -15.751 -2.639 -29.193 311 HB1 ALA 40 HB1 ALA 40 -17.750 -4.060 -28.362 312 HB2 ALA 40 HB2 ALA 40 -16.575 -5.375 -28.309 313 HB3 ALA 40 HB3 ALA 40 -16.314 -3.920 -27.348 314 H ILE 41 H ILE 41 -15.433 -5.568 -31.042 315 HA ILE 41 HA ILE 41 -13.130 -6.678 -29.977 316 HB ILE 41 HB ILE 41 -13.885 -6.541 -32.899 317 HG12 ILE 41 HG12 ILE 41 -14.514 -8.620 -30.791 318 HG13 ILE 41 HG13 ILE 41 -15.665 -7.489 -31.494 319 HG21 ILE 41 HG21 ILE 41 -12.063 -8.449 -31.437 320 HG22 ILE 41 HG22 ILE 41 -12.517 -8.552 -33.137 321 HG23 ILE 41 HG23 ILE 41 -11.557 -7.189 -32.563 322 HD11 ILE 41 HD11 ILE 41 -14.484 -8.815 -33.653 323 HD12 ILE 41 HD12 ILE 41 -14.823 -10.052 -32.443 324 HD13 ILE 41 HD13 ILE 41 -16.121 -9.011 -33.027 325 H GLU 42 H GLU 42 -13.520 -3.813 -31.911 326 HA GLU 42 HA GLU 42 -10.950 -3.490 -32.923 327 HB2 GLU 42 HB2 GLU 42 -11.482 -1.200 -33.233 328 HB3 GLU 42 HB3 GLU 42 -12.991 -2.081 -33.422 329 HG2 GLU 42 HG2 GLU 42 -13.206 -1.541 -30.843 330 HG3 GLU 42 HG3 GLU 42 -12.136 -0.212 -31.287 331 H ALA 43 H ALA 43 -12.171 -3.057 -29.697 332 HA ALA 43 HA ALA 43 -9.915 -1.557 -28.742 333 HB1 ALA 43 HB1 ALA 43 -11.607 -1.080 -27.337 334 HB2 ALA 43 HB2 ALA 43 -12.408 -2.628 -27.606 335 HB3 ALA 43 HB3 ALA 43 -11.049 -2.521 -26.487 336 H LEU 44 H LEU 44 -11.017 -4.923 -28.421 337 HA LEU 44 HA LEU 44 -9.019 -5.900 -26.781 338 HB2 LEU 44 HB2 LEU 44 -10.294 -7.342 -29.100 339 HB3 LEU 44 HB3 LEU 44 -9.490 -8.089 -27.722 340 HG LEU 44 HG LEU 44 -11.876 -6.345 -27.276 341 HD11 LEU 44 HD11 LEU 44 -13.329 -7.742 -28.205 342 HD12 LEU 44 HD12 LEU 44 -12.567 -9.138 -27.445 343 HD13 LEU 44 HD13 LEU 44 -11.965 -8.538 -28.990 344 HD21 LEU 44 HD21 LEU 44 -12.186 -7.961 -25.407 345 HD22 LEU 44 HD22 LEU 44 -10.679 -7.049 -25.324 346 HD23 LEU 44 HD23 LEU 44 -10.667 -8.724 -25.876 347 H ASP 45 H ASP 45 -9.048 -5.877 -30.345 348 HA ASP 45 HA ASP 45 -6.493 -6.936 -30.722 349 HB2 ASP 45 HB2 ASP 45 -8.300 -6.571 -32.471 350 HB3 ASP 45 HB3 ASP 45 -7.777 -4.890 -32.531 351 H ARG 46 H ARG 46 -7.525 -3.728 -29.865 352 HA ARG 46 HA ARG 46 -5.228 -2.286 -30.586 353 HB2 ARG 46 HB2 ARG 46 -7.545 -1.460 -29.744 354 HB3 ARG 46 HB3 ARG 46 -6.838 -1.623 -28.142 355 HG2 ARG 46 HG2 ARG 46 -5.203 0.016 -28.586 356 HG3 ARG 46 HG3 ARG 46 -5.547 -0.007 -30.317 357 HD2 ARG 46 HD2 ARG 46 -7.617 1.082 -30.023 358 HD3 ARG 46 HD3 ARG 46 -7.610 0.791 -28.284 359 HE ARG 46 HE ARG 46 -5.378 2.354 -28.963 360 HH11 ARG 46 HH11 ARG 46 -8.847 2.568 -28.774 361 HH12 ARG 46 HH12 ARG 46 -8.855 4.272 -28.457 362 HH21 ARG 46 HH21 ARG 46 -5.375 4.597 -28.546 363 HH22 ARG 46 HH22 ARG 46 -6.880 5.425 -28.329 364 H LEU 47 H LEU 47 -6.144 -3.458 -27.340 365 HA LEU 47 HA LEU 47 -3.722 -2.896 -26.089 366 HB2 LEU 47 HB2 LEU 47 -5.509 -5.220 -25.410 367 HB3 LEU 47 HB3 LEU 47 -4.431 -4.338 -24.329 368 HG LEU 47 HG LEU 47 -7.007 -3.335 -25.536 369 HD11 LEU 47 HD11 LEU 47 -7.373 -4.850 -23.702 370 HD12 LEU 47 HD12 LEU 47 -7.697 -3.202 -23.165 371 HD13 LEU 47 HD13 LEU 47 -6.190 -3.996 -22.711 372 HD21 LEU 47 HD21 LEU 47 -5.090 -1.901 -23.701 373 HD22 LEU 47 HD22 LEU 47 -6.629 -1.287 -24.306 374 HD23 LEU 47 HD23 LEU 47 -5.291 -1.568 -25.421 375 H LEU 48 H LEU 48 -4.819 -5.926 -27.592 376 HA LEU 48 HA LEU 48 -2.564 -7.470 -27.051 377 HB2 LEU 48 HB2 LEU 48 -4.306 -7.606 -29.507 378 HB3 LEU 48 HB3 LEU 48 -3.273 -8.890 -28.883 379 HG LEU 48 HG LEU 48 -5.540 -7.793 -27.252 380 HD11 LEU 48 HD11 LEU 48 -5.941 -8.894 -29.735 381 HD12 LEU 48 HD12 LEU 48 -7.112 -8.861 -28.417 382 HD13 LEU 48 HD13 LEU 48 -6.094 -10.281 -28.657 383 HD21 LEU 48 HD21 LEU 48 -3.765 -9.236 -26.236 384 HD22 LEU 48 HD22 LEU 48 -4.283 -10.530 -27.317 385 HD23 LEU 48 HD23 LEU 48 -5.401 -9.884 -26.115 386 H LEU 49 H LEU 49 -3.302 -5.558 -29.965 387 HA LEU 49 HA LEU 49 -0.923 -6.065 -31.335 388 HB2 LEU 49 HB2 LEU 49 -2.693 -5.092 -32.539 389 HB3 LEU 49 HB3 LEU 49 -2.852 -3.766 -31.389 390 HG LEU 49 HG LEU 49 -0.692 -2.864 -32.185 391 HD11 LEU 49 HD11 LEU 49 -0.281 -5.372 -33.205 392 HD12 LEU 49 HD12 LEU 49 0.658 -3.934 -33.604 393 HD13 LEU 49 HD13 LEU 49 -0.677 -4.431 -34.644 394 HD21 LEU 49 HD21 LEU 49 -3.172 -3.022 -33.670 395 HD22 LEU 49 HD22 LEU 49 -1.789 -2.742 -34.729 396 HD23 LEU 49 HD23 LEU 49 -2.111 -1.642 -33.387 397 H ASP 50 H ASP 50 -1.736 -3.512 -29.021 398 HA ASP 50 HA ASP 50 0.612 -2.014 -29.223 399 HB2 ASP 50 HB2 ASP 50 -1.338 -2.439 -26.967 400 HB3 ASP 50 HB3 ASP 50 0.061 -1.383 -26.792 401 H VAL 51 H VAL 51 -0.179 -4.376 -26.665 402 HA VAL 51 HA VAL 51 2.392 -4.498 -25.570 403 HB VAL 51 HB VAL 51 0.344 -5.352 -24.452 404 HG11 VAL 51 HG11 VAL 51 0.667 -7.716 -26.297 405 HG12 VAL 51 HG12 VAL 51 -0.508 -7.557 -24.990 406 HG13 VAL 51 HG13 VAL 51 -0.613 -6.508 -26.405 407 HG21 VAL 51 HG21 VAL 51 1.515 -6.809 -23.145 408 HG22 VAL 51 HG22 VAL 51 2.197 -7.673 -24.523 409 HG23 VAL 51 HG23 VAL 51 2.854 -6.105 -24.052 410 H ARG 52 H ARG 52 1.035 -6.022 -28.373 411 HA ARG 52 HA ARG 52 3.026 -8.073 -28.598 412 HB2 ARG 52 HB2 ARG 52 0.802 -8.362 -29.578 413 HB3 ARG 52 HB3 ARG 52 1.079 -6.987 -30.639 414 HG2 ARG 52 HG2 ARG 52 2.876 -8.187 -31.755 415 HG3 ARG 52 HG3 ARG 52 2.647 -9.558 -30.668 416 HD2 ARG 52 HD2 ARG 52 0.493 -10.012 -31.556 417 HD3 ARG 52 HD3 ARG 52 0.461 -8.484 -32.435 418 HE ARG 52 HE ARG 52 2.634 -9.845 -33.417 419 HH11 ARG 52 HH11 ARG 52 -0.789 -10.426 -33.168 420 HH12 ARG 52 HH12 ARG 52 -0.859 -11.404 -34.596 421 HH21 ARG 52 HH21 ARG 52 2.555 -11.132 -35.299 422 HH22 ARG 52 HH22 ARG 52 1.044 -11.806 -35.807 423 H ALA 53 H ALA 53 2.645 -4.793 -29.737 424 HA ALA 53 HA ALA 53 5.028 -5.014 -31.418 425 HB1 ALA 53 HB1 ALA 53 4.450 -2.762 -32.193 426 HB2 ALA 53 HB2 ALA 53 3.106 -3.887 -32.389 427 HB3 ALA 53 HB3 ALA 53 3.097 -2.725 -31.062 428 H ARG 54 H ARG 54 5.073 -5.088 -28.440 429 HA ARG 54 HA ARG 54 6.249 -4.223 -26.690 430 HB2 ARG 54 HB2 ARG 54 7.998 -3.163 -28.918 431 HB3 ARG 54 HB3 ARG 54 8.470 -3.337 -27.232 432 HG2 ARG 54 HG2 ARG 54 8.165 -5.768 -27.417 433 HG3 ARG 54 HG3 ARG 54 7.754 -5.569 -29.121 434 HD2 ARG 54 HD2 ARG 54 10.350 -4.614 -27.938 435 HD3 ARG 54 HD3 ARG 54 10.143 -6.228 -28.615 436 HE ARG 54 HE ARG 54 9.286 -4.557 -30.589 437 HH11 ARG 54 HH11 ARG 54 12.215 -4.856 -28.732 438 HH12 ARG 54 HH12 ARG 54 13.233 -4.251 -29.996 439 HH21 ARG 54 HH21 ARG 54 10.615 -3.759 -32.262 440 HH22 ARG 54 HH22 ARG 54 12.322 -3.627 -32.004 441 H ARG 55 H ARG 55 4.066 -2.660 -27.435 442 HA ARG 55 HA ARG 55 5.057 0.093 -27.121 443 HB2 ARG 55 HB2 ARG 55 2.487 -1.008 -28.245 444 HB3 ARG 55 HB3 ARG 55 2.657 0.683 -27.793 445 HG2 ARG 55 HG2 ARG 55 4.580 -0.618 -29.685 446 HG3 ARG 55 HG3 ARG 55 3.035 0.033 -30.239 447 HD2 ARG 55 HD2 ARG 55 5.111 1.597 -28.710 448 HD3 ARG 55 HD3 ARG 55 4.925 1.625 -30.463 449 HE ARG 55 HE ARG 55 3.278 2.961 -28.521 450 HH11 ARG 55 HH11 ARG 55 3.433 1.674 -31.752 451 HH12 ARG 55 HH12 ARG 55 2.174 2.696 -32.360 452 HH21 ARG 55 HH21 ARG 55 1.619 4.313 -29.310 453 HH22 ARG 55 HH22 ARG 55 1.143 4.198 -30.971 454 H VAL 56 H VAL 56 4.732 -1.971 -25.005 455 HA VAL 56 HA VAL 56 2.533 -0.897 -23.410 456 HB VAL 56 HB VAL 56 2.882 -3.357 -23.521 457 HG11 VAL 56 HG11 VAL 56 5.292 -2.941 -21.778 458 HG12 VAL 56 HG12 VAL 56 4.743 -4.421 -22.567 459 HG13 VAL 56 HG13 VAL 56 5.422 -3.107 -23.529 460 HG21 VAL 56 HG21 VAL 56 3.238 -2.153 -20.777 461 HG22 VAL 56 HG22 VAL 56 1.707 -2.319 -21.636 462 HG23 VAL 56 HG23 VAL 56 2.596 -3.757 -21.133 463 H ASP 57 H ASP 57 2.807 0.104 -21.426 464 HA ASP 57 HA ASP 57 5.512 0.645 -20.484 465 HB2 ASP 57 HB2 ASP 57 5.020 3.093 -20.319 466 HB3 ASP 57 HB3 ASP 57 5.159 2.504 -21.973 467 H GLN 58 H GLN 58 5.345 2.070 -18.413 468 HA GLN 58 HA GLN 58 3.336 0.797 -16.719 469 HB2 GLN 58 HB2 GLN 58 4.718 1.518 -14.846 470 HB3 GLN 58 HB3 GLN 58 5.690 0.657 -16.032 471 HG2 GLN 58 HG2 GLN 58 5.545 3.616 -16.218 472 HG3 GLN 58 HG3 GLN 58 6.509 2.901 -14.927 473 HE21 GLN 58 HE21 GLN 58 6.932 4.303 -17.689 474 HE22 GLN 58 HE22 GLN 58 8.213 3.373 -18.381 475 H PHE 59 H PHE 59 1.958 1.942 -15.355 476 HA PHE 59 HA PHE 59 1.897 4.843 -15.519 477 HB2 PHE 59 HB2 PHE 59 0.506 3.777 -17.435 478 HB3 PHE 59 HB3 PHE 59 -0.638 3.363 -16.163 479 HD1 PHE 59 HD2 PHE 59 1.393 6.376 -17.028 480 HD2 PHE 59 HD1 PHE 59 -2.436 4.771 -16.091 481 HE1 PHE 59 HE2 PHE 59 0.416 8.629 -17.182 482 HE2 PHE 59 HE1 PHE 59 -3.420 7.021 -16.245 483 HZ PHE 59 HZ PHE 59 -1.994 8.954 -16.789 484 H GLN 60 H GLN 60 0.343 5.796 -14.002 485 HA GLN 60 HA GLN 60 -1.057 4.270 -12.093 486 HB2 GLN 60 HB2 GLN 60 0.398 4.693 -10.125 487 HB3 GLN 60 HB3 GLN 60 1.109 3.582 -11.288 488 HG2 GLN 60 HG2 GLN 60 2.303 5.654 -12.224 489 HG3 GLN 60 HG3 GLN 60 1.855 6.418 -10.699 490 HE21 GLN 60 HE21 GLN 60 2.927 5.887 -8.861 491 HE22 GLN 60 HE22 GLN 60 4.285 4.821 -8.811 492 H ILE 61 H ILE 61 -2.658 5.609 -11.624 493 HA ILE 61 HA ILE 61 -2.296 8.475 -11.804 494 HB ILE 61 HB ILE 61 -4.711 8.613 -11.381 495 HG12 ILE 61 HG12 ILE 61 -4.554 5.599 -11.160 496 HG13 ILE 61 HG13 ILE 61 -4.917 6.711 -9.845 497 HG21 ILE 61 HG21 ILE 61 -4.146 6.478 -13.426 498 HG22 ILE 61 HG22 ILE 61 -5.433 7.682 -13.447 499 HG23 ILE 61 HG23 ILE 61 -3.756 8.182 -13.661 500 HD11 ILE 61 HD11 ILE 61 -6.923 7.442 -11.169 501 HD12 ILE 61 HD12 ILE 61 -6.597 6.089 -12.252 502 HD13 ILE 61 HD13 ILE 61 -6.968 5.790 -10.554 503 H ASN 62 H ASN 62 -2.707 6.043 -9.325 504 HA ASN 62 HA ASN 62 -2.370 8.146 -7.290 505 HB2 ASN 62 HB2 ASN 62 -4.255 5.811 -7.329 506 HB3 ASN 62 HB3 ASN 62 -3.666 6.438 -5.792 507 HD21 ASN 62 HD21 ASN 62 -4.900 7.903 -4.886 508 HD22 ASN 62 HD22 ASN 62 -5.983 8.974 -5.702 509 H ALA 63 H ALA 63 -1.784 4.804 -8.234 510 HA ALA 63 HA ALA 63 -0.120 3.341 -7.710 511 HB1 ALA 63 HB1 ALA 63 1.110 5.786 -7.829 512 HB2 ALA 63 HB2 ALA 63 1.590 5.192 -6.239 513 HB3 ALA 63 HB3 ALA 63 1.930 4.232 -7.678 514 H SER 64 H SER 64 -2.286 4.165 -5.755 515 HA SER 64 HA SER 64 -0.992 3.183 -3.296 516 HB2 SER 64 HB2 SER 64 -3.521 4.831 -3.542 517 HB3 SER 64 HB3 SER 64 -2.764 4.308 -2.037 518 HG SER 64 HG SER 64 -2.309 6.532 -3.196 519 H ALA 65 H ALA 65 -3.646 2.796 -5.531 520 HA ALA 65 HA ALA 65 -4.454 0.355 -4.089 521 HB1 ALA 65 HB1 ALA 65 -6.213 2.040 -4.046 522 HB2 ALA 65 HB2 ALA 65 -6.172 2.142 -5.807 523 HB3 ALA 65 HB3 ALA 65 -6.696 0.652 -5.022 524 H ALA 66 H ALA 66 -3.864 -1.433 -5.109 525 HA ALA 66 HA ALA 66 -3.220 -2.885 -6.746 526 HB1 ALA 66 HB1 ALA 66 -5.181 -1.512 -8.553 527 HB2 ALA 66 HB2 ALA 66 -4.760 -3.223 -8.467 528 HB3 ALA 66 HB3 ALA 66 -5.715 -2.485 -7.181 529 H GLN 67 H GLN 67 -1.203 -1.442 -6.693 530 HA GLN 67 HA GLN 67 -0.799 0.154 -9.082 531 HB2 GLN 67 HB2 GLN 67 0.181 1.021 -7.080 532 HB3 GLN 67 HB3 GLN 67 0.971 -0.510 -6.731 533 HG2 GLN 67 HG2 GLN 67 2.497 1.240 -7.587 534 HG3 GLN 67 HG3 GLN 67 2.479 -0.232 -8.558 535 HE21 GLN 67 HE21 GLN 67 3.381 1.085 -10.242 536 HE22 GLN 67 HE22 GLN 67 2.345 2.067 -11.216 537 H ILE 68 H ILE 68 0.410 -0.397 -10.829 538 HA ILE 68 HA ILE 68 1.745 -3.016 -10.809 539 HB ILE 68 HB ILE 68 -0.015 -1.999 -13.044 540 HG12 ILE 68 HG12 ILE 68 -1.115 -4.344 -12.329 541 HG13 ILE 68 HG13 ILE 68 -0.461 -3.857 -10.769 542 HG21 ILE 68 HG21 ILE 68 2.060 -4.025 -12.920 543 HG22 ILE 68 HG22 ILE 68 0.516 -4.674 -13.467 544 HG23 ILE 68 HG23 ILE 68 1.252 -3.317 -14.319 545 HD11 ILE 68 HD11 ILE 68 -1.679 -1.573 -11.539 546 HD12 ILE 68 HD12 ILE 68 -2.722 -2.782 -12.289 547 HD13 ILE 68 HD13 ILE 68 -2.432 -2.824 -10.550 548 H ILE 69 H ILE 69 3.638 -3.136 -11.928 549 HA ILE 69 HA ILE 69 4.482 -0.731 -13.406 550 HB ILE 69 HB ILE 69 6.205 -2.381 -11.552 551 HG12 ILE 69 HG12 ILE 69 6.365 0.052 -10.513 552 HG13 ILE 69 HG13 ILE 69 4.795 0.240 -11.287 553 HG21 ILE 69 HG21 ILE 69 7.616 -1.685 -13.284 554 HG22 ILE 69 HG22 ILE 69 6.820 -0.117 -13.422 555 HG23 ILE 69 HG23 ILE 69 7.838 -0.469 -12.026 556 HD11 ILE 69 HD11 ILE 69 4.974 -0.567 -8.818 557 HD12 ILE 69 HD12 ILE 69 3.785 -1.284 -9.906 558 HD13 ILE 69 HD13 ILE 69 5.291 -2.134 -9.561 559 H VAL 70 H VAL 70 5.172 -1.114 -15.405 560 HA VAL 70 HA VAL 70 5.452 -3.856 -16.313 561 HB VAL 70 HB VAL 70 5.615 -1.266 -17.862 562 HG11 VAL 70 HG11 VAL 70 4.941 -3.271 -19.619 563 HG12 VAL 70 HG12 VAL 70 6.541 -2.547 -19.443 564 HG13 VAL 70 HG13 VAL 70 6.147 -4.038 -18.586 565 HG21 VAL 70 HG21 VAL 70 3.410 -1.467 -17.051 566 HG22 VAL 70 HG22 VAL 70 3.358 -2.068 -18.708 567 HG23 VAL 70 HG23 VAL 70 3.370 -3.203 -17.358 568 H THR 71 H THR 71 7.356 -4.801 -15.949 569 HA THR 71 HA THR 71 9.814 -3.350 -15.766 570 HB THR 71 HB THR 71 10.841 -5.674 -15.717 571 HG1 THR 71 HG1 THR 71 9.427 -7.404 -15.595 572 HG21 THR 71 HG21 THR 71 10.612 -5.530 -13.501 573 HG22 THR 71 HG22 THR 71 8.889 -5.897 -13.597 574 HG23 THR 71 HG23 THR 71 9.448 -4.234 -13.775 575 H ASP 72 H ASP 72 9.710 -2.312 -17.887 576 HA ASP 72 HA ASP 72 10.650 -4.098 -20.036 577 HB2 ASP 72 HB2 ASP 72 9.652 -2.629 -21.657 578 HB3 ASP 72 HB3 ASP 72 8.427 -3.019 -20.453 Start of MODEL 3 1 H1 MET 1 H MET 1 -0.161 0.757 -0.350 2 HA MET 1 HA MET 1 1.022 0.800 -2.951 3 HB2 MET 1 HB2 MET 1 2.131 1.271 -0.664 4 HB3 MET 1 HB3 MET 1 2.272 -0.477 -0.534 5 HG2 MET 1 HG2 MET 1 4.323 0.250 -1.387 6 HG3 MET 1 HG3 MET 1 3.453 -0.411 -2.769 7 HE1 MET 1 HE1 MET 1 3.609 2.956 -0.767 8 HE2 MET 1 HE2 MET 1 5.268 2.671 -1.293 9 HE3 MET 1 HE3 MET 1 4.353 4.025 -1.957 10 H ASP 2 H ASP 2 -0.045 -0.709 -4.223 11 HA ASP 2 HA ASP 2 0.522 -3.517 -3.542 12 HB2 ASP 2 HB2 ASP 2 -1.963 -2.474 -4.918 13 HB3 ASP 2 HB3 ASP 2 -1.593 -4.168 -4.608 14 H ARG 3 H ARG 3 2.442 -2.500 -4.895 15 HA ARG 3 HA ARG 3 2.120 -2.200 -7.683 16 HB2 ARG 3 HB2 ARG 3 4.587 -2.492 -7.773 17 HB3 ARG 3 HB3 ARG 3 4.071 -1.305 -6.583 18 HG2 ARG 3 HG2 ARG 3 4.183 -3.376 -4.962 19 HG3 ARG 3 HG3 ARG 3 5.299 -3.979 -6.189 20 HD2 ARG 3 HD2 ARG 3 6.561 -1.835 -5.985 21 HD3 ARG 3 HD3 ARG 3 5.512 -1.405 -4.635 22 HE ARG 3 HE ARG 3 6.777 -3.951 -4.294 23 HH11 ARG 3 HH11 ARG 3 7.190 -0.511 -3.948 24 HH12 ARG 3 HH12 ARG 3 8.391 -0.648 -2.707 25 HH21 ARG 3 HH21 ARG 3 8.357 -4.145 -2.660 26 HH22 ARG 3 HH22 ARG 3 9.054 -2.716 -1.976 27 H ILE 4 H ILE 4 2.739 -3.615 -9.384 28 HA ILE 4 HA ILE 4 2.967 -6.454 -8.700 29 HB ILE 4 HB ILE 4 0.959 -5.367 -10.678 30 HG12 ILE 4 HG12 ILE 4 0.457 -6.948 -8.153 31 HG13 ILE 4 HG13 ILE 4 0.391 -5.191 -8.218 32 HG21 ILE 4 HG21 ILE 4 1.894 -8.143 -10.051 33 HG22 ILE 4 HG22 ILE 4 0.281 -7.848 -10.698 34 HG23 ILE 4 HG23 ILE 4 1.703 -7.362 -11.620 35 HD11 ILE 4 HD11 ILE 4 -1.647 -7.044 -8.804 36 HD12 ILE 4 HD12 ILE 4 -1.702 -5.284 -8.910 37 HD13 ILE 4 HD13 ILE 4 -1.221 -6.238 -10.313 38 H PHE 5 H PHE 5 4.878 -6.962 -9.556 39 HA PHE 5 HA PHE 5 5.847 -5.706 -11.965 40 HB2 PHE 5 HB2 PHE 5 6.989 -7.860 -10.180 41 HB3 PHE 5 HB3 PHE 5 7.810 -7.258 -11.617 42 HD1 PHE 5 HD1 PHE 5 6.260 -6.028 -8.460 43 HD2 PHE 5 HD2 PHE 5 9.291 -5.510 -11.402 44 HE1 PHE 5 HE1 PHE 5 7.233 -4.201 -7.130 45 HE2 PHE 5 HE2 PHE 5 10.270 -3.683 -10.077 46 HZ PHE 5 HZ PHE 5 9.242 -3.027 -7.937 47 H MET 6 H MET 6 5.423 -6.383 -13.951 48 HA MET 6 HA MET 6 4.994 -9.250 -14.418 49 HB2 MET 6 HB2 MET 6 3.152 -6.998 -15.029 50 HB3 MET 6 HB3 MET 6 3.293 -8.271 -16.234 51 HG2 MET 6 HG2 MET 6 2.586 -9.928 -14.667 52 HG3 MET 6 HG3 MET 6 2.644 -8.768 -13.342 53 HE1 MET 6 HE1 MET 6 0.125 -8.970 -12.455 54 HE2 MET 6 HE2 MET 6 -1.174 -9.369 -13.579 55 HE3 MET 6 HE3 MET 6 0.235 -10.423 -13.449 56 H THR 7 H THR 7 5.693 -10.023 -16.400 57 HA THR 7 HA THR 7 7.635 -8.339 -17.748 58 HB THR 7 HB THR 7 8.389 -10.328 -18.867 59 HG1 THR 7 HG1 THR 7 6.817 -11.661 -19.385 60 HG21 THR 7 HG21 THR 7 9.108 -11.633 -17.023 61 HG22 THR 7 HG22 THR 7 7.688 -11.200 -16.070 62 HG23 THR 7 HG23 THR 7 8.925 -9.990 -16.411 63 H ARG 8 H ARG 8 7.729 -8.974 -20.275 64 HA ARG 8 HA ARG 8 5.756 -7.518 -21.538 65 HB2 ARG 8 HB2 ARG 8 7.536 -9.698 -22.634 66 HB3 ARG 8 HB3 ARG 8 6.530 -8.667 -23.643 67 HG2 ARG 8 HG2 ARG 8 7.735 -6.696 -22.765 68 HG3 ARG 8 HG3 ARG 8 8.791 -7.785 -21.863 69 HD2 ARG 8 HD2 ARG 8 8.445 -8.149 -24.808 70 HD3 ARG 8 HD3 ARG 8 9.518 -6.887 -24.204 71 HE ARG 8 HE ARG 8 10.046 -9.408 -22.983 72 HH11 ARG 8 HH11 ARG 8 10.573 -7.529 -25.866 73 HH12 ARG 8 HH12 ARG 8 12.039 -8.350 -26.289 74 HH21 ARG 8 HH21 ARG 8 11.975 -10.496 -23.529 75 HH22 ARG 8 HH22 ARG 8 12.835 -10.037 -24.960 76 H THR 9 H THR 9 5.959 -11.032 -21.115 77 HA THR 9 HA THR 9 3.496 -11.526 -22.503 78 HB THR 9 HB THR 9 4.703 -13.510 -20.610 79 HG1 THR 9 HG1 THR 9 5.695 -13.085 -23.240 80 HG21 THR 9 HG21 THR 9 4.029 -15.079 -22.391 81 HG22 THR 9 HG22 THR 9 3.419 -13.721 -23.336 82 HG23 THR 9 HG23 THR 9 2.671 -14.128 -21.792 83 H GLU 10 H GLU 10 4.510 -11.506 -19.099 84 HA GLU 10 HA GLU 10 2.059 -12.274 -17.984 85 HB2 GLU 10 HB2 GLU 10 4.563 -11.623 -17.014 86 HB3 GLU 10 HB3 GLU 10 3.545 -10.343 -16.372 87 HG2 GLU 10 HG2 GLU 10 3.741 -12.205 -14.817 88 HG3 GLU 10 HG3 GLU 10 2.077 -11.982 -15.356 89 H ALA 11 H ALA 11 3.025 -9.339 -19.455 90 HA ALA 11 HA ALA 11 1.530 -7.404 -18.186 91 HB1 ALA 11 HB1 ALA 11 1.407 -7.204 -21.099 92 HB2 ALA 11 HB2 ALA 11 2.115 -6.107 -19.914 93 HB3 ALA 11 HB3 ALA 11 3.027 -7.510 -20.472 94 H LEU 12 H LEU 12 0.448 -9.995 -20.251 95 HA LEU 12 HA LEU 12 -2.031 -9.117 -21.073 96 HB2 LEU 12 HB2 LEU 12 -1.373 -11.889 -20.089 97 HB3 LEU 12 HB3 LEU 12 -2.700 -11.447 -21.161 98 HG LEU 12 HG LEU 12 0.090 -10.854 -22.024 99 HD11 LEU 12 HD11 LEU 12 0.164 -13.166 -21.177 100 HD12 LEU 12 HD12 LEU 12 0.365 -13.077 -22.926 101 HD13 LEU 12 HD13 LEU 12 -1.180 -13.579 -22.241 102 HD21 LEU 12 HD21 LEU 12 -1.042 -11.634 -24.208 103 HD22 LEU 12 HD22 LEU 12 -1.488 -10.067 -23.533 104 HD23 LEU 12 HD23 LEU 12 -2.547 -11.459 -23.305 105 H GLU 13 H GLU 13 -1.110 -10.479 -17.943 106 HA GLU 13 HA GLU 13 -3.714 -10.610 -16.859 107 HB2 GLU 13 HB2 GLU 13 -0.972 -10.495 -15.627 108 HB3 GLU 13 HB3 GLU 13 -2.422 -10.527 -14.634 109 HG2 GLU 13 HG2 GLU 13 -1.870 -12.606 -16.724 110 HG3 GLU 13 HG3 GLU 13 -1.266 -12.739 -15.073 111 H PHE 14 H PHE 14 -1.341 -8.044 -17.067 112 HA PHE 14 HA PHE 14 -2.586 -6.289 -15.211 113 HB2 PHE 14 HB2 PHE 14 -0.280 -5.921 -15.717 114 HB3 PHE 14 HB3 PHE 14 -0.609 -5.825 -17.444 115 HD1 PHE 14 HD2 PHE 14 -2.349 -4.179 -14.602 116 HD2 PHE 14 HD1 PHE 14 0.065 -3.703 -18.075 117 HE1 PHE 14 HE2 PHE 14 -2.573 -1.735 -14.418 118 HE2 PHE 14 HE1 PHE 14 -0.154 -1.259 -17.896 119 HZ PHE 14 HZ PHE 14 -1.475 -0.272 -16.067 120 H LEU 15 H LEU 15 -2.608 -6.442 -18.765 121 HA LEU 15 HA LEU 15 -4.465 -4.305 -19.063 122 HB2 LEU 15 HB2 LEU 15 -4.352 -4.698 -21.338 123 HB3 LEU 15 HB3 LEU 15 -2.780 -5.250 -20.762 124 HG LEU 15 HG LEU 15 -4.071 -7.582 -20.699 125 HD11 LEU 15 HD11 LEU 15 -6.137 -7.318 -21.535 126 HD12 LEU 15 HD12 LEU 15 -5.312 -7.352 -23.093 127 HD13 LEU 15 HD13 LEU 15 -5.729 -5.808 -22.351 128 HD21 LEU 15 HD21 LEU 15 -3.068 -8.080 -22.842 129 HD22 LEU 15 HD22 LEU 15 -1.989 -7.045 -21.907 130 HD23 LEU 15 HD23 LEU 15 -2.950 -6.361 -23.219 131 H LEU 16 H LEU 16 -4.759 -7.699 -18.477 132 HA LEU 16 HA LEU 16 -7.512 -7.869 -19.322 133 HB2 LEU 16 HB2 LEU 16 -5.964 -9.788 -19.451 134 HB3 LEU 16 HB3 LEU 16 -5.869 -9.801 -17.691 135 HG LEU 16 HG LEU 16 -8.386 -10.205 -17.721 136 HD11 LEU 16 HD11 LEU 16 -7.733 -10.410 -20.617 137 HD12 LEU 16 HD12 LEU 16 -9.163 -9.750 -19.824 138 HD13 LEU 16 HD13 LEU 16 -8.944 -11.496 -19.936 139 HD21 LEU 16 HD21 LEU 16 -6.468 -11.889 -17.364 140 HD22 LEU 16 HD22 LEU 16 -6.848 -12.438 -18.997 141 HD23 LEU 16 HD23 LEU 16 -8.077 -12.510 -17.734 142 H LYS 17 H LYS 17 -5.744 -7.446 -16.320 143 HA LYS 17 HA LYS 17 -8.110 -7.678 -14.680 144 HB2 LYS 17 HB2 LYS 17 -6.683 -7.350 -12.822 145 HB3 LYS 17 HB3 LYS 17 -5.761 -8.323 -13.961 146 HG2 LYS 17 HG2 LYS 17 -4.543 -6.352 -14.690 147 HG3 LYS 17 HG3 LYS 17 -5.493 -5.345 -13.594 148 HD2 LYS 17 HD2 LYS 17 -3.318 -5.863 -12.625 149 HD3 LYS 17 HD3 LYS 17 -4.613 -6.607 -11.684 150 HE2 LYS 17 HE2 LYS 17 -4.196 -8.743 -12.791 151 HE3 LYS 17 HE3 LYS 17 -2.923 -8.001 -13.759 152 HZ1 LYS 17 HZ1 LYS 17 -2.278 -9.293 -11.656 153 HZ2 LYS 17 HZ2 LYS 17 -2.803 -7.924 -10.814 154 HZ3 LYS 17 HZ3 LYS 17 -1.541 -7.795 -11.933 155 H ALA 18 H ALA 18 -6.253 -5.148 -16.191 156 HA ALA 18 HA ALA 18 -7.131 -2.947 -14.697 157 HB1 ALA 18 HB1 ALA 18 -5.959 -3.347 -17.385 158 HB2 ALA 18 HB2 ALA 18 -6.776 -1.813 -17.088 159 HB3 ALA 18 HB3 ALA 18 -5.433 -2.310 -16.058 160 H HIS 19 H HIS 19 -8.720 -4.851 -17.123 161 HA HIS 19 HA HIS 19 -10.744 -2.943 -17.775 162 HB2 HIS 19 HB2 HIS 19 -10.354 -5.873 -18.278 163 HB3 HIS 19 HB3 HIS 19 -11.917 -5.132 -18.603 164 HD1 HIS 19 HD1 HIS 19 -11.280 -2.594 -19.985 165 HD2 HIS 19 HD2 HIS 19 -9.080 -6.056 -20.645 166 HE1 HIS 19 HE1 HIS 19 -10.192 -2.282 -22.231 167 H GLN 20 H GLN 20 -10.647 -5.817 -15.684 168 HA GLN 20 HA GLN 20 -13.266 -5.829 -14.807 169 HB2 GLN 20 HB2 GLN 20 -11.569 -7.570 -14.293 170 HB3 GLN 20 HB3 GLN 20 -10.828 -6.470 -13.138 171 HG2 GLN 20 HG2 GLN 20 -12.127 -7.795 -11.784 172 HG3 GLN 20 HG3 GLN 20 -13.179 -6.408 -12.061 173 HE21 GLN 20 HE21 GLN 20 -14.849 -7.945 -11.411 174 HE22 GLN 20 HE22 GLN 20 -15.533 -8.985 -12.608 175 H THR 21 H THR 21 -10.545 -3.910 -13.634 176 HA THR 21 HA THR 21 -12.106 -2.693 -11.532 177 HB THR 21 HB THR 21 -9.952 -1.115 -11.598 178 HG1 THR 21 HG1 THR 21 -9.116 -2.141 -13.496 179 HG21 THR 21 HG21 THR 21 -10.008 -3.945 -10.542 180 HG22 THR 21 HG22 THR 21 -10.579 -2.500 -9.708 181 HG23 THR 21 HG23 THR 21 -8.860 -2.703 -10.046 182 H ALA 22 H ALA 22 -11.219 -1.977 -14.820 183 HA ALA 22 HA ALA 22 -11.798 0.809 -14.752 184 HB1 ALA 22 HB1 ALA 22 -11.773 0.658 -17.203 185 HB2 ALA 22 HB2 ALA 22 -10.373 -0.130 -16.475 186 HB3 ALA 22 HB3 ALA 22 -11.713 -1.101 -17.084 187 H VAL 23 H VAL 23 -13.676 -2.074 -15.552 188 HA VAL 23 HA VAL 23 -15.959 -0.791 -16.562 189 HB VAL 23 HB VAL 23 -15.832 -3.418 -15.075 190 HG11 VAL 23 HG11 VAL 23 -17.817 -3.724 -16.850 191 HG12 VAL 23 HG12 VAL 23 -18.076 -3.138 -15.205 192 HG13 VAL 23 HG13 VAL 23 -17.965 -1.994 -16.544 193 HG21 VAL 23 HG21 VAL 23 -14.749 -2.640 -17.601 194 HG22 VAL 23 HG22 VAL 23 -14.706 -4.218 -16.815 195 HG23 VAL 23 HG23 VAL 23 -16.059 -3.792 -17.862 196 H ASP 24 H ASP 24 -14.869 -1.372 -13.301 197 HA ASP 24 HA ASP 24 -17.336 -0.919 -11.986 198 HB2 ASP 24 HB2 ASP 24 -15.096 -1.933 -11.093 199 HB3 ASP 24 HB3 ASP 24 -14.700 -0.258 -10.719 200 H LYS 25 H LYS 25 -14.772 1.194 -13.108 201 HA LYS 25 HA LYS 25 -15.681 3.528 -11.753 202 HB2 LYS 25 HB2 LYS 25 -13.728 2.950 -13.936 203 HB3 LYS 25 HB3 LYS 25 -14.263 4.610 -13.711 204 HG2 LYS 25 HG2 LYS 25 -12.330 4.484 -12.440 205 HG3 LYS 25 HG3 LYS 25 -13.616 4.270 -11.249 206 HD2 LYS 25 HD2 LYS 25 -13.307 1.789 -11.515 207 HD3 LYS 25 HD3 LYS 25 -11.874 2.142 -12.484 208 HE2 LYS 25 HE2 LYS 25 -10.712 3.013 -10.674 209 HE3 LYS 25 HE3 LYS 25 -12.183 3.333 -9.757 210 HZ1 LYS 25 HZ1 LYS 25 -12.132 1.311 -8.863 211 HZ2 LYS 25 HZ2 LYS 25 -10.544 1.193 -9.431 212 HZ3 LYS 25 HZ3 LYS 25 -11.818 0.551 -10.341 213 H ILE 26 H ILE 26 -16.382 2.049 -14.848 214 HA ILE 26 HA ILE 26 -17.808 4.316 -15.885 215 HB ILE 26 HB ILE 26 -17.865 1.446 -16.825 216 HG12 ILE 26 HG12 ILE 26 -16.236 3.750 -17.910 217 HG13 ILE 26 HG13 ILE 26 -15.598 2.543 -16.799 218 HG21 ILE 26 HG21 ILE 26 -19.716 2.440 -17.804 219 HG22 ILE 26 HG22 ILE 26 -18.923 4.008 -17.950 220 HG23 ILE 26 HG23 ILE 26 -18.461 2.683 -19.018 221 HD11 ILE 26 HD11 ILE 26 -16.375 0.838 -18.566 222 HD12 ILE 26 HD12 ILE 26 -16.429 2.229 -19.649 223 HD13 ILE 26 HD13 ILE 26 -14.914 1.779 -18.867 224 H GLY 27 H GLY 27 -18.565 1.604 -13.882 225 HA2 GLY 27 HA2 GLY 27 -20.489 1.067 -12.744 226 HA3 GLY 27 HA3 GLY 27 -21.133 2.624 -13.241 227 H HIS 28 H HIS 28 -20.030 0.210 -15.521 228 HA HIS 28 HA HIS 28 -22.414 0.280 -17.012 229 HB2 HIS 28 HB2 HIS 28 -19.945 -1.385 -17.031 230 HB3 HIS 28 HB3 HIS 28 -21.348 -1.999 -17.900 231 HD1 HIS 28 HD1 HIS 28 -18.601 -0.943 -19.166 232 HD2 HIS 28 HD2 HIS 28 -22.222 1.090 -19.019 233 HE1 HIS 28 HE1 HIS 28 -18.507 0.733 -21.038 234 HA PRO 29 HA PRO 29 -25.088 -2.599 -15.060 235 HB2 PRO 29 HB2 PRO 29 -26.289 -3.774 -17.193 236 HB3 PRO 29 HB3 PRO 29 -26.628 -2.112 -16.694 237 HG2 PRO 29 HG2 PRO 29 -24.829 -3.108 -18.870 238 HG3 PRO 29 HG3 PRO 29 -25.968 -1.749 -18.894 239 HD2 PRO 29 HD2 PRO 29 -23.303 -1.410 -18.553 240 HD3 PRO 29 HD3 PRO 29 -24.506 -0.340 -17.804 241 H SER 30 H SER 30 -25.577 -4.875 -14.770 242 HA SER 30 HA SER 30 -23.273 -6.559 -15.446 243 HB2 SER 30 HB2 SER 30 -24.137 -6.177 -13.024 244 HB3 SER 30 HB3 SER 30 -25.410 -7.313 -13.470 245 HG SER 30 HG SER 30 -22.973 -7.878 -12.667 246 H HIS 31 H HIS 31 -25.651 -5.921 -17.190 247 HA HIS 31 HA HIS 31 -27.077 -8.415 -17.423 248 HB2 HIS 31 HB2 HIS 31 -27.969 -6.063 -17.974 249 HB3 HIS 31 HB3 HIS 31 -27.066 -6.214 -19.478 250 HD1 HIS 31 HD1 HIS 31 -29.939 -7.800 -17.617 251 HD2 HIS 31 HD2 HIS 31 -28.272 -7.740 -21.422 252 HE1 HIS 31 HE1 HIS 31 -31.583 -9.005 -19.090 253 H LYS 32 H LYS 32 -27.182 -9.548 -19.558 254 HA LYS 32 HA LYS 32 -24.640 -10.505 -20.282 255 HB2 LYS 32 HB2 LYS 32 -27.070 -11.519 -20.552 256 HB3 LYS 32 HB3 LYS 32 -26.949 -10.800 -22.152 257 HG2 LYS 32 HG2 LYS 32 -26.226 -13.001 -22.427 258 HG3 LYS 32 HG3 LYS 32 -24.742 -12.048 -22.370 259 HD2 LYS 32 HD2 LYS 32 -24.536 -12.608 -19.960 260 HD3 LYS 32 HD3 LYS 32 -25.949 -13.655 -20.119 261 HE2 LYS 32 HE2 LYS 32 -24.552 -14.710 -22.074 262 HE3 LYS 32 HE3 LYS 32 -23.192 -13.996 -21.208 263 HZ1 LYS 32 HZ1 LYS 32 -24.821 -16.274 -20.518 264 HZ2 LYS 32 HZ2 LYS 32 -24.557 -15.208 -19.232 265 HZ3 LYS 32 HZ3 LYS 32 -23.241 -15.890 -20.048 266 H GLN 33 H GLN 33 -23.560 -10.389 -22.334 267 HA GLN 33 HA GLN 33 -23.073 -7.829 -23.255 268 HB2 GLN 33 HB2 GLN 33 -22.077 -8.988 -25.279 269 HB3 GLN 33 HB3 GLN 33 -21.457 -9.495 -23.714 270 HG2 GLN 33 HG2 GLN 33 -22.791 -11.491 -23.772 271 HG3 GLN 33 HG3 GLN 33 -23.582 -10.963 -25.256 272 HE21 GLN 33 HE21 GLN 33 -20.185 -10.975 -24.250 273 HE22 GLN 33 HE22 GLN 33 -19.615 -11.923 -25.576 274 H THR 34 H THR 34 -23.333 -7.138 -25.617 275 HA THR 34 HA THR 34 -26.077 -7.720 -26.523 276 HB THR 34 HB THR 34 -25.795 -5.230 -27.456 277 HG1 THR 34 HG1 THR 34 -24.154 -4.278 -26.531 278 HG21 THR 34 HG21 THR 34 -26.547 -5.134 -24.636 279 HG22 THR 34 HG22 THR 34 -27.305 -6.462 -25.514 280 HG23 THR 34 HG23 THR 34 -27.510 -4.803 -26.075 281 HA PRO 35 HA PRO 35 -24.496 -8.475 -30.547 282 HB2 PRO 35 HB2 PRO 35 -26.426 -7.413 -32.133 283 HB3 PRO 35 HB3 PRO 35 -26.654 -8.902 -31.208 284 HG2 PRO 35 HG2 PRO 35 -27.542 -6.117 -30.563 285 HG3 PRO 35 HG3 PRO 35 -28.430 -7.642 -30.392 286 HD2 PRO 35 HD2 PRO 35 -27.231 -6.412 -28.298 287 HD3 PRO 35 HD3 PRO 35 -27.380 -8.177 -28.411 288 H ALA 36 H ALA 36 -25.084 -5.241 -29.523 289 HA ALA 36 HA ALA 36 -23.778 -4.089 -31.868 290 HB1 ALA 36 HB1 ALA 36 -24.462 -2.274 -29.681 291 HB2 ALA 36 HB2 ALA 36 -24.861 -2.187 -31.397 292 HB3 ALA 36 HB3 ALA 36 -25.834 -3.183 -30.314 293 H ASP 37 H ASP 37 -23.035 -5.141 -28.713 294 HA ASP 37 HA ASP 37 -20.950 -3.386 -28.024 295 HB2 ASP 37 HB2 ASP 37 -21.755 -6.141 -27.211 296 HB3 ASP 37 HB3 ASP 37 -20.144 -5.584 -26.768 297 H HIS 38 H HIS 38 -21.131 -5.939 -30.327 298 HA HIS 38 HA HIS 38 -18.525 -6.822 -30.526 299 HB2 HIS 38 HB2 HIS 38 -19.036 -7.528 -32.727 300 HB3 HIS 38 HB3 HIS 38 -20.562 -7.594 -31.850 301 HD1 HIS 38 HD1 HIS 38 -19.311 -6.589 -34.983 302 HD2 HIS 38 HD2 HIS 38 -21.998 -4.917 -32.291 303 HE1 HIS 38 HE1 HIS 38 -20.677 -4.957 -36.323 304 H ALA 39 H ALA 39 -19.895 -3.770 -31.510 305 HA ALA 39 HA ALA 39 -17.855 -2.903 -33.242 306 HB1 ALA 39 HB1 ALA 39 -19.550 -1.452 -33.476 307 HB2 ALA 39 HB2 ALA 39 -20.106 -1.676 -31.817 308 HB3 ALA 39 HB3 ALA 39 -18.764 -0.584 -32.157 309 H ALA 40 H ALA 40 -18.190 -2.774 -29.741 310 HA ALA 40 HA ALA 40 -16.178 -0.987 -29.091 311 HB1 ALA 40 HB1 ALA 40 -17.690 -1.863 -27.424 312 HB2 ALA 40 HB2 ALA 40 -17.015 -3.482 -27.619 313 HB3 ALA 40 HB3 ALA 40 -16.025 -2.189 -26.941 314 H ILE 41 H ILE 41 -15.946 -4.267 -30.236 315 HA ILE 41 HA ILE 41 -13.401 -4.989 -29.429 316 HB ILE 41 HB ILE 41 -14.690 -5.582 -32.096 317 HG12 ILE 41 HG12 ILE 41 -16.086 -6.269 -30.203 318 HG13 ILE 41 HG13 ILE 41 -15.417 -7.675 -31.024 319 HG21 ILE 41 HG21 ILE 41 -13.214 -7.613 -32.000 320 HG22 ILE 41 HG22 ILE 41 -12.375 -6.085 -32.258 321 HG23 ILE 41 HG23 ILE 41 -12.361 -6.840 -30.664 322 HD11 ILE 41 HD11 ILE 41 -14.606 -6.506 -28.385 323 HD12 ILE 41 HD12 ILE 41 -15.242 -8.115 -28.727 324 HD13 ILE 41 HD13 ILE 41 -13.616 -7.680 -29.253 325 H GLU 42 H GLU 42 -14.384 -2.725 -31.895 326 HA GLU 42 HA GLU 42 -12.005 -2.544 -33.357 327 HB2 GLU 42 HB2 GLU 42 -12.839 -0.500 -34.224 328 HB3 GLU 42 HB3 GLU 42 -14.244 -1.515 -33.932 329 HG2 GLU 42 HG2 GLU 42 -14.275 -0.268 -31.627 330 HG3 GLU 42 HG3 GLU 42 -13.353 0.942 -32.517 331 H ALA 43 H ALA 43 -12.892 -1.270 -30.245 332 HA ALA 43 HA ALA 43 -10.733 0.620 -30.092 333 HB1 ALA 43 HB1 ALA 43 -11.698 -0.078 -27.504 334 HB2 ALA 43 HB2 ALA 43 -11.951 1.410 -28.416 335 HB3 ALA 43 HB3 ALA 43 -13.069 0.060 -28.605 336 H LEU 44 H LEU 44 -11.343 -2.649 -28.890 337 HA LEU 44 HA LEU 44 -9.144 -2.958 -27.228 338 HB2 LEU 44 HB2 LEU 44 -10.522 -4.968 -28.998 339 HB3 LEU 44 HB3 LEU 44 -9.326 -5.391 -27.774 340 HG LEU 44 HG LEU 44 -11.779 -3.873 -26.987 341 HD11 LEU 44 HD11 LEU 44 -12.084 -6.707 -26.601 342 HD12 LEU 44 HD12 LEU 44 -11.917 -6.324 -28.315 343 HD13 LEU 44 HD13 LEU 44 -13.181 -5.551 -27.358 344 HD21 LEU 44 HD21 LEU 44 -9.982 -5.869 -25.616 345 HD22 LEU 44 HD22 LEU 44 -11.419 -5.143 -24.895 346 HD23 LEU 44 HD23 LEU 44 -10.043 -4.129 -25.334 347 H ASP 45 H ASP 45 -9.321 -2.890 -30.692 348 HA ASP 45 HA ASP 45 -6.997 -4.220 -31.414 349 HB2 ASP 45 HB2 ASP 45 -8.771 -3.223 -32.941 350 HB3 ASP 45 HB3 ASP 45 -7.951 -1.678 -32.732 351 H ARG 46 H ARG 46 -7.412 -1.105 -29.925 352 HA ARG 46 HA ARG 46 -4.856 -0.038 -30.511 353 HB2 ARG 46 HB2 ARG 46 -6.845 1.266 -29.702 354 HB3 ARG 46 HB3 ARG 46 -6.578 0.576 -28.107 355 HG2 ARG 46 HG2 ARG 46 -4.282 1.575 -28.158 356 HG3 ARG 46 HG3 ARG 46 -4.757 2.415 -29.636 357 HD2 ARG 46 HD2 ARG 46 -5.048 3.886 -27.747 358 HD3 ARG 46 HD3 ARG 46 -6.626 3.454 -28.403 359 HE ARG 46 HE ARG 46 -6.092 1.640 -26.386 360 HH11 ARG 46 HH11 ARG 46 -6.503 5.083 -26.695 361 HH12 ARG 46 HH12 ARG 46 -7.128 5.284 -25.092 362 HH21 ARG 46 HH21 ARG 46 -6.914 1.891 -24.274 363 HH22 ARG 46 HH22 ARG 46 -7.361 3.467 -23.715 364 H LEU 47 H LEU 47 -6.088 -1.362 -27.431 365 HA LEU 47 HA LEU 47 -3.573 -1.510 -26.187 366 HB2 LEU 47 HB2 LEU 47 -4.639 -2.606 -24.442 367 HB3 LEU 47 HB3 LEU 47 -5.915 -1.622 -25.156 368 HG LEU 47 HG LEU 47 -6.371 -3.892 -26.479 369 HD11 LEU 47 HD11 LEU 47 -6.121 -5.533 -24.306 370 HD12 LEU 47 HD12 LEU 47 -4.607 -4.630 -24.274 371 HD13 LEU 47 HD13 LEU 47 -5.063 -5.534 -25.717 372 HD21 LEU 47 HD21 LEU 47 -7.284 -3.069 -23.738 373 HD22 LEU 47 HD22 LEU 47 -7.970 -4.459 -24.580 374 HD23 LEU 47 HD23 LEU 47 -8.102 -2.847 -25.284 375 H LEU 48 H LEU 48 -5.292 -3.732 -28.271 376 HA LEU 48 HA LEU 48 -3.755 -6.039 -27.751 377 HB2 LEU 48 HB2 LEU 48 -5.341 -5.178 -30.159 378 HB3 LEU 48 HB3 LEU 48 -4.565 -6.755 -30.028 379 HG LEU 48 HG LEU 48 -6.538 -5.849 -27.962 380 HD11 LEU 48 HD11 LEU 48 -8.246 -5.938 -29.368 381 HD12 LEU 48 HD12 LEU 48 -7.781 -7.568 -29.854 382 HD13 LEU 48 HD13 LEU 48 -7.128 -6.172 -30.712 383 HD21 LEU 48 HD21 LEU 48 -6.927 -8.393 -28.027 384 HD22 LEU 48 HD22 LEU 48 -5.447 -7.788 -27.282 385 HD23 LEU 48 HD23 LEU 48 -5.404 -8.454 -28.915 386 H LEU 49 H LEU 49 -3.606 -3.851 -30.569 387 HA LEU 49 HA LEU 49 -1.204 -4.896 -31.586 388 HB2 LEU 49 HB2 LEU 49 -2.532 -2.220 -31.949 389 HB3 LEU 49 HB3 LEU 49 -1.088 -2.711 -32.833 390 HG LEU 49 HG LEU 49 -3.573 -4.377 -32.958 391 HD11 LEU 49 HD11 LEU 49 -4.187 -2.019 -33.463 392 HD12 LEU 49 HD12 LEU 49 -4.384 -3.121 -34.825 393 HD13 LEU 49 HD13 LEU 49 -2.996 -2.036 -34.764 394 HD21 LEU 49 HD21 LEU 49 -1.388 -3.845 -34.967 395 HD22 LEU 49 HD22 LEU 49 -2.666 -5.057 -35.076 396 HD23 LEU 49 HD23 LEU 49 -1.408 -5.208 -33.848 397 H ASP 50 H ASP 50 -1.862 -2.499 -29.146 398 HA ASP 50 HA ASP 50 0.673 -1.259 -29.083 399 HB2 ASP 50 HB2 ASP 50 -1.630 -1.469 -27.189 400 HB3 ASP 50 HB3 ASP 50 -0.093 -0.854 -26.586 401 H VAL 51 H VAL 51 -0.692 -3.728 -26.896 402 HA VAL 51 HA VAL 51 1.786 -4.260 -25.617 403 HB VAL 51 HB VAL 51 -0.445 -4.730 -24.605 404 HG11 VAL 51 HG11 VAL 51 -1.357 -5.753 -26.737 405 HG12 VAL 51 HG12 VAL 51 -0.473 -7.216 -26.297 406 HG13 VAL 51 HG13 VAL 51 -1.741 -6.597 -25.237 407 HG21 VAL 51 HG21 VAL 51 0.901 -7.356 -24.563 408 HG22 VAL 51 HG22 VAL 51 1.907 -5.961 -24.171 409 HG23 VAL 51 HG23 VAL 51 0.450 -6.290 -23.233 410 H ARG 52 H ARG 52 0.294 -5.424 -28.514 411 HA ARG 52 HA ARG 52 1.892 -7.809 -28.713 412 HB2 ARG 52 HB2 ARG 52 -0.405 -7.506 -29.728 413 HB3 ARG 52 HB3 ARG 52 0.343 -6.450 -30.918 414 HG2 ARG 52 HG2 ARG 52 1.516 -9.146 -30.555 415 HG3 ARG 52 HG3 ARG 52 -0.052 -9.031 -31.358 416 HD2 ARG 52 HD2 ARG 52 2.088 -7.170 -32.233 417 HD3 ARG 52 HD3 ARG 52 2.245 -8.866 -32.687 418 HE ARG 52 HE ARG 52 -0.351 -7.836 -33.266 419 HH11 ARG 52 HH11 ARG 52 2.935 -7.964 -34.408 420 HH12 ARG 52 HH12 ARG 52 2.505 -7.733 -36.070 421 HH21 ARG 52 HH21 ARG 52 -0.931 -7.532 -35.451 422 HH22 ARG 52 HH22 ARG 52 0.306 -7.487 -36.662 423 H ALA 53 H ALA 53 2.124 -4.495 -29.753 424 HA ALA 53 HA ALA 53 4.417 -5.085 -31.467 425 HB1 ALA 53 HB1 ALA 53 2.775 -3.559 -32.372 426 HB2 ALA 53 HB2 ALA 53 2.939 -2.504 -30.967 427 HB3 ALA 53 HB3 ALA 53 4.289 -2.701 -32.084 428 H ARG 54 H ARG 54 4.428 -5.295 -28.477 429 HA ARG 54 HA ARG 54 5.754 -4.762 -26.702 430 HB2 ARG 54 HB2 ARG 54 7.384 -5.499 -28.608 431 HB3 ARG 54 HB3 ARG 54 7.838 -3.800 -28.630 432 HG2 ARG 54 HG2 ARG 54 8.095 -4.185 -26.037 433 HG3 ARG 54 HG3 ARG 54 8.298 -5.863 -26.545 434 HD2 ARG 54 HD2 ARG 54 9.873 -3.541 -27.648 435 HD3 ARG 54 HD3 ARG 54 10.432 -4.598 -26.352 436 HE ARG 54 HE ARG 54 9.676 -6.075 -28.667 437 HH11 ARG 54 HH11 ARG 54 12.222 -4.134 -27.300 438 HH12 ARG 54 HH12 ARG 54 13.473 -4.881 -28.239 439 HH21 ARG 54 HH21 ARG 54 11.313 -7.065 -29.909 440 HH22 ARG 54 HH22 ARG 54 12.954 -6.547 -29.723 441 H ARG 55 H ARG 55 4.013 -2.663 -27.757 442 HA ARG 55 HA ARG 55 5.550 -0.229 -27.230 443 HB2 ARG 55 HB2 ARG 55 2.786 -0.699 -28.343 444 HB3 ARG 55 HB3 ARG 55 3.384 0.901 -27.922 445 HG2 ARG 55 HG2 ARG 55 5.157 0.711 -29.549 446 HG3 ARG 55 HG3 ARG 55 4.674 -0.946 -29.919 447 HD2 ARG 55 HD2 ARG 55 2.481 -0.102 -30.676 448 HD3 ARG 55 HD3 ARG 55 3.033 1.544 -30.372 449 HE ARG 55 HE ARG 55 4.893 0.411 -32.067 450 HH11 ARG 55 HH11 ARG 55 1.483 1.112 -32.128 451 HH12 ARG 55 HH12 ARG 55 1.428 1.339 -33.844 452 HH21 ARG 55 HH21 ARG 55 4.833 0.708 -34.327 453 HH22 ARG 55 HH22 ARG 55 3.334 1.108 -35.095 454 H VAL 56 H VAL 56 4.772 -2.210 -25.154 455 HA VAL 56 HA VAL 56 2.842 -0.719 -23.547 456 HB VAL 56 HB VAL 56 2.662 -3.193 -23.694 457 HG11 VAL 56 HG11 VAL 56 4.899 -3.590 -21.814 458 HG12 VAL 56 HG12 VAL 56 4.310 -4.625 -23.117 459 HG13 VAL 56 HG13 VAL 56 5.346 -3.245 -23.485 460 HG21 VAL 56 HG21 VAL 56 2.110 -3.518 -21.421 461 HG22 VAL 56 HG22 VAL 56 3.314 -2.349 -20.880 462 HG23 VAL 56 HG23 VAL 56 1.870 -1.799 -21.730 463 H ASP 57 H ASP 57 3.307 0.151 -21.531 464 HA ASP 57 HA ASP 57 6.082 0.135 -20.620 465 HB2 ASP 57 HB2 ASP 57 5.480 2.162 -22.177 466 HB3 ASP 57 HB3 ASP 57 4.671 2.775 -20.737 467 H GLN 58 H GLN 58 6.267 1.278 -18.455 468 HA GLN 58 HA GLN 58 4.016 0.422 -16.803 469 HB2 GLN 58 HB2 GLN 58 5.620 0.735 -14.914 470 HB3 GLN 58 HB3 GLN 58 6.144 -0.442 -16.110 471 HG2 GLN 58 HG2 GLN 58 7.721 1.073 -17.034 472 HG3 GLN 58 HG3 GLN 58 7.072 2.415 -16.092 473 HE21 GLN 58 HE21 GLN 58 7.874 2.800 -14.123 474 HE22 GLN 58 HE22 GLN 58 9.034 1.808 -13.314 475 H PHE 59 H PHE 59 3.047 1.757 -15.250 476 HA PHE 59 HA PHE 59 3.756 4.453 -14.810 477 HB2 PHE 59 HB2 PHE 59 2.826 4.437 -17.228 478 HB3 PHE 59 HB3 PHE 59 1.255 4.223 -16.462 479 HD1 PHE 59 HD1 PHE 59 0.304 5.987 -15.063 480 HD2 PHE 59 HD2 PHE 59 3.988 6.523 -17.127 481 HE1 PHE 59 HE1 PHE 59 0.140 8.418 -14.718 482 HE2 PHE 59 HE2 PHE 59 3.830 8.954 -16.785 483 HZ PHE 59 HZ PHE 59 1.905 9.905 -15.578 484 H GLN 60 H GLN 60 2.391 5.491 -13.294 485 HA GLN 60 HA GLN 60 0.045 4.092 -12.328 486 HB2 GLN 60 HB2 GLN 60 0.864 3.867 -10.038 487 HB3 GLN 60 HB3 GLN 60 1.866 2.945 -11.151 488 HG2 GLN 60 HG2 GLN 60 3.481 3.920 -9.886 489 HG3 GLN 60 HG3 GLN 60 3.311 5.140 -11.147 490 HE21 GLN 60 HE21 GLN 60 1.465 4.346 -8.221 491 HE22 GLN 60 HE22 GLN 60 1.526 5.935 -7.545 492 H ILE 61 H ILE 61 -1.426 5.480 -11.554 493 HA ILE 61 HA ILE 61 -0.742 8.298 -11.479 494 HB ILE 61 HB ILE 61 -3.142 8.690 -11.228 495 HG12 ILE 61 HG12 ILE 61 -3.374 5.673 -11.214 496 HG13 ILE 61 HG13 ILE 61 -3.669 6.729 -9.837 497 HG21 ILE 61 HG21 ILE 61 -2.873 6.609 -13.362 498 HG22 ILE 61 HG22 ILE 61 -3.737 8.145 -13.404 499 HG23 ILE 61 HG23 ILE 61 -1.974 8.123 -13.460 500 HD11 ILE 61 HD11 ILE 61 -5.404 7.830 -11.464 501 HD12 ILE 61 HD12 ILE 61 -5.324 6.255 -12.255 502 HD13 ILE 61 HD13 ILE 61 -5.798 6.367 -10.561 503 H ASN 62 H ASN 62 -1.552 5.727 -9.263 504 HA ASN 62 HA ASN 62 -0.557 7.145 -7.027 505 HB2 ASN 62 HB2 ASN 62 -2.898 8.173 -7.455 506 HB3 ASN 62 HB3 ASN 62 -3.516 6.651 -6.818 507 HD21 ASN 62 HD21 ASN 62 -2.753 9.718 -6.020 508 HD22 ASN 62 HD22 ASN 62 -2.453 9.523 -4.329 509 H ALA 63 H ALA 63 -0.401 5.845 -5.162 510 HA ALA 63 HA ALA 63 -0.753 2.992 -5.710 511 HB1 ALA 63 HB1 ALA 63 1.449 4.126 -4.908 512 HB2 ALA 63 HB2 ALA 63 0.692 4.042 -3.316 513 HB3 ALA 63 HB3 ALA 63 0.971 2.565 -4.240 514 H SER 64 H SER 64 -3.163 3.733 -5.321 515 HA SER 64 HA SER 64 -3.776 3.412 -2.458 516 HB2 SER 64 HB2 SER 64 -4.589 5.517 -3.549 517 HB3 SER 64 HB3 SER 64 -5.592 4.526 -4.608 518 HG SER 64 HG SER 64 -6.804 5.205 -2.837 519 H ALA 65 H ALA 65 -4.642 2.361 -5.718 520 HA ALA 65 HA ALA 65 -6.030 0.046 -4.532 521 HB1 ALA 65 HB1 ALA 65 -7.732 0.383 -5.916 522 HB2 ALA 65 HB2 ALA 65 -6.970 1.897 -6.408 523 HB3 ALA 65 HB3 ALA 65 -6.654 0.415 -7.312 524 H ALA 66 H ALA 66 -6.171 -1.662 -6.590 525 HA ALA 66 HA ALA 66 -3.739 -2.966 -6.625 526 HB1 ALA 66 HB1 ALA 66 -4.962 -3.715 -9.011 527 HB2 ALA 66 HB2 ALA 66 -5.136 -4.493 -7.437 528 HB3 ALA 66 HB3 ALA 66 -6.289 -3.259 -7.943 529 H GLN 67 H GLN 67 -1.899 -1.995 -7.250 530 HA GLN 67 HA GLN 67 -1.870 -0.550 -9.807 531 HB2 GLN 67 HB2 GLN 67 -1.037 0.507 -7.611 532 HB3 GLN 67 HB3 GLN 67 0.357 -0.551 -7.785 533 HG2 GLN 67 HG2 GLN 67 0.854 1.640 -8.660 534 HG3 GLN 67 HG3 GLN 67 0.839 0.453 -9.964 535 HE21 GLN 67 HE21 GLN 67 -0.199 1.028 -11.725 536 HE22 GLN 67 HE22 GLN 67 -1.465 2.198 -11.828 537 H ILE 68 H ILE 68 -0.155 -0.918 -11.306 538 HA ILE 68 HA ILE 68 1.360 -3.399 -10.956 539 HB ILE 68 HB ILE 68 -0.170 -2.828 -13.492 540 HG12 ILE 68 HG12 ILE 68 -1.375 -5.025 -12.559 541 HG13 ILE 68 HG13 ILE 68 -0.935 -4.297 -11.018 542 HG21 ILE 68 HG21 ILE 68 0.682 -4.772 -14.330 543 HG22 ILE 68 HG22 ILE 68 2.022 -4.290 -13.292 544 HG23 ILE 68 HG23 ILE 68 0.872 -5.506 -12.739 545 HD11 ILE 68 HD11 ILE 68 -2.772 -3.078 -11.162 546 HD12 ILE 68 HD12 ILE 68 -2.044 -2.230 -12.527 547 HD13 ILE 68 HD13 ILE 68 -3.073 -3.634 -12.808 548 H ILE 69 H ILE 69 3.392 -3.279 -11.707 549 HA ILE 69 HA ILE 69 4.079 -1.015 -13.465 550 HB ILE 69 HB ILE 69 5.754 -2.126 -11.210 551 HG12 ILE 69 HG12 ILE 69 5.456 0.419 -10.537 552 HG13 ILE 69 HG13 ILE 69 3.990 0.268 -11.499 553 HG21 ILE 69 HG21 ILE 69 6.878 0.250 -12.009 554 HG22 ILE 69 HG22 ILE 69 7.463 -1.360 -12.426 555 HG23 ILE 69 HG23 ILE 69 6.400 -0.494 -13.535 556 HD11 ILE 69 HD11 ILE 69 4.165 -1.958 -9.735 557 HD12 ILE 69 HD12 ILE 69 4.401 -0.470 -8.818 558 HD13 ILE 69 HD13 ILE 69 2.951 -0.681 -9.800 559 H VAL 70 H VAL 70 4.753 -1.712 -15.373 560 HA VAL 70 HA VAL 70 5.611 -4.417 -15.795 561 HB VAL 70 HB VAL 70 5.628 -2.072 -17.701 562 HG11 VAL 70 HG11 VAL 70 6.861 -3.429 -18.976 563 HG12 VAL 70 HG12 VAL 70 6.558 -4.823 -17.937 564 HG13 VAL 70 HG13 VAL 70 5.388 -4.377 -19.180 565 HG21 VAL 70 HG21 VAL 70 3.461 -3.417 -16.587 566 HG22 VAL 70 HG22 VAL 70 3.444 -2.378 -18.012 567 HG23 VAL 70 HG23 VAL 70 3.651 -4.119 -18.194 568 H THR 71 H THR 71 7.599 -5.159 -15.524 569 HA THR 71 HA THR 71 9.847 -3.258 -15.653 570 HB THR 71 HB THR 71 9.765 -4.144 -13.454 571 HG1 THR 71 HG1 THR 71 11.847 -4.428 -13.644 572 HG21 THR 71 HG21 THR 71 9.133 -6.703 -14.844 573 HG22 THR 71 HG22 THR 71 8.400 -5.989 -13.408 574 HG23 THR 71 HG23 THR 71 9.975 -6.774 -13.297 575 H ASP 72 H ASP 72 9.765 -3.620 -18.012 576 HA ASP 72 HA ASP 72 10.306 -6.145 -19.159 577 HB2 ASP 72 HB2 ASP 72 10.992 -4.791 -21.170 578 HB3 ASP 72 HB3 ASP 72 9.382 -4.431 -20.551 Start of MODEL 4 1 H1 MET 1 H MET 1 2.658 2.585 -3.231 2 HA MET 1 HA MET 1 3.920 0.543 -2.107 3 HB2 MET 1 HB2 MET 1 1.226 1.687 -1.562 4 HB3 MET 1 HB3 MET 1 1.679 0.223 -0.700 5 HG2 MET 1 HG2 MET 1 3.624 1.316 0.217 6 HG3 MET 1 HG3 MET 1 3.283 2.768 -0.722 7 HE1 MET 1 HE1 MET 1 3.111 4.082 2.411 8 HE2 MET 1 HE2 MET 1 3.305 4.346 0.678 9 HE3 MET 1 HE3 MET 1 1.845 4.904 1.498 10 H ASP 2 H ASP 2 0.696 0.140 -3.573 11 HA ASP 2 HA ASP 2 0.948 -2.751 -3.418 12 HB2 ASP 2 HB2 ASP 2 -1.208 -1.462 -2.966 13 HB3 ASP 2 HB3 ASP 2 -1.298 -1.204 -4.706 14 H ARG 3 H ARG 3 2.947 -1.922 -4.970 15 HA ARG 3 HA ARG 3 2.326 -1.663 -7.725 16 HB2 ARG 3 HB2 ARG 3 4.746 -2.184 -8.063 17 HB3 ARG 3 HB3 ARG 3 4.448 -0.875 -6.928 18 HG2 ARG 3 HG2 ARG 3 5.136 -2.104 -5.114 19 HG3 ARG 3 HG3 ARG 3 4.786 -3.648 -5.894 20 HD2 ARG 3 HD2 ARG 3 7.070 -3.647 -6.013 21 HD3 ARG 3 HD3 ARG 3 6.680 -2.864 -7.544 22 HE ARG 3 HE ARG 3 7.711 -0.984 -6.775 23 HH11 ARG 3 HH11 ARG 3 6.833 -2.961 -4.046 24 HH12 ARG 3 HH12 ARG 3 7.618 -1.939 -2.888 25 HH21 ARG 3 HH21 ARG 3 8.749 0.369 -5.259 26 HH22 ARG 3 HH22 ARG 3 8.707 -0.045 -3.579 27 H ILE 4 H ILE 4 2.642 -3.191 -9.413 28 HA ILE 4 HA ILE 4 2.713 -6.009 -8.611 29 HB ILE 4 HB ILE 4 0.628 -4.829 -10.451 30 HG12 ILE 4 HG12 ILE 4 0.186 -6.304 -7.857 31 HG13 ILE 4 HG13 ILE 4 0.353 -4.553 -7.924 32 HG21 ILE 4 HG21 ILE 4 1.332 -7.664 -9.752 33 HG22 ILE 4 HG22 ILE 4 -0.259 -7.214 -10.364 34 HG23 ILE 4 HG23 ILE 4 1.176 -6.929 -11.348 35 HD11 ILE 4 HD11 ILE 4 -1.927 -6.217 -8.520 36 HD12 ILE 4 HD12 ILE 4 -1.838 -4.478 -8.237 37 HD13 ILE 4 HD13 ILE 4 -1.547 -5.125 -9.851 38 H PHE 5 H PHE 5 4.488 -6.719 -9.605 39 HA PHE 5 HA PHE 5 5.441 -5.632 -12.070 40 HB2 PHE 5 HB2 PHE 5 7.217 -7.271 -11.898 41 HB3 PHE 5 HB3 PHE 5 6.937 -6.558 -10.312 42 HD1 PHE 5 HD2 PHE 5 5.901 -7.857 -8.531 43 HD2 PHE 5 HD1 PHE 5 6.736 -9.579 -12.332 44 HE1 PHE 5 HE2 PHE 5 5.607 -10.104 -7.573 45 HE2 PHE 5 HE1 PHE 5 6.441 -11.829 -11.381 46 HZ PHE 5 HZ PHE 5 5.877 -12.094 -8.999 47 H MET 6 H MET 6 5.726 -6.784 -14.060 48 HA MET 6 HA MET 6 4.304 -9.241 -14.513 49 HB2 MET 6 HB2 MET 6 2.756 -6.994 -14.665 50 HB3 MET 6 HB3 MET 6 3.289 -7.165 -16.332 51 HG2 MET 6 HG2 MET 6 1.229 -8.303 -16.142 52 HG3 MET 6 HG3 MET 6 2.488 -9.532 -16.252 53 HE1 MET 6 HE1 MET 6 0.172 -8.219 -12.566 54 HE2 MET 6 HE2 MET 6 0.377 -7.382 -14.105 55 HE3 MET 6 HE3 MET 6 -0.768 -8.717 -13.973 56 H THR 7 H THR 7 4.779 -10.185 -16.524 57 HA THR 7 HA THR 7 7.176 -9.090 -17.781 58 HB THR 7 HB THR 7 7.537 -11.250 -18.736 59 HG1 THR 7 HG1 THR 7 5.946 -12.616 -19.093 60 HG21 THR 7 HG21 THR 7 6.428 -11.950 -16.039 61 HG22 THR 7 HG22 THR 7 7.819 -10.876 -16.186 62 HG23 THR 7 HG23 THR 7 7.903 -12.519 -16.819 63 H ARG 8 H ARG 8 7.228 -9.875 -20.268 64 HA ARG 8 HA ARG 8 5.576 -8.104 -21.658 65 HB2 ARG 8 HB2 ARG 8 6.378 -9.284 -23.702 66 HB3 ARG 8 HB3 ARG 8 7.670 -8.810 -22.608 67 HG2 ARG 8 HG2 ARG 8 7.658 -11.140 -21.710 68 HG3 ARG 8 HG3 ARG 8 6.522 -11.562 -22.994 69 HD2 ARG 8 HD2 ARG 8 8.518 -12.137 -23.973 70 HD3 ARG 8 HD3 ARG 8 8.335 -10.477 -24.537 71 HE ARG 8 HE ARG 8 9.773 -10.530 -22.105 72 HH11 ARG 8 HH11 ARG 8 10.104 -11.264 -25.492 73 HH12 ARG 8 HH12 ARG 8 11.815 -10.994 -25.517 74 HH21 ARG 8 HH21 ARG 8 12.025 -10.172 -22.125 75 HH22 ARG 8 HH22 ARG 8 12.907 -10.374 -23.601 76 H THR 9 H THR 9 5.292 -11.593 -21.145 77 HA THR 9 HA THR 9 2.864 -11.761 -22.706 78 HB THR 9 HB THR 9 4.032 -13.882 -20.900 79 HG1 THR 9 HG1 THR 9 4.553 -13.328 -23.649 80 HG21 THR 9 HG21 THR 9 2.070 -14.843 -21.466 81 HG22 THR 9 HG22 THR 9 2.875 -15.150 -23.005 82 HG23 THR 9 HG23 THR 9 1.814 -13.753 -22.827 83 H GLU 10 H GLU 10 3.741 -12.174 -19.278 84 HA GLU 10 HA GLU 10 1.148 -12.600 -18.313 85 HB2 GLU 10 HB2 GLU 10 3.727 -11.715 -17.105 86 HB3 GLU 10 HB3 GLU 10 2.258 -11.515 -16.160 87 HG2 GLU 10 HG2 GLU 10 3.134 -13.582 -15.512 88 HG3 GLU 10 HG3 GLU 10 1.804 -13.965 -16.604 89 H ALA 11 H ALA 11 2.669 -9.754 -19.452 90 HA ALA 11 HA ALA 11 1.484 -7.713 -18.034 91 HB1 ALA 11 HB1 ALA 11 2.268 -7.949 -20.917 92 HB2 ALA 11 HB2 ALA 11 1.542 -6.470 -20.286 93 HB3 ALA 11 HB3 ALA 11 3.063 -7.061 -19.616 94 H LEU 12 H LEU 12 0.042 -9.873 -20.358 95 HA LEU 12 HA LEU 12 -2.211 -8.507 -21.149 96 HB2 LEU 12 HB2 LEU 12 -2.048 -11.424 -20.404 97 HB3 LEU 12 HB3 LEU 12 -3.289 -10.682 -21.412 98 HG LEU 12 HG LEU 12 -0.443 -10.468 -22.268 99 HD11 LEU 12 HD11 LEU 12 -2.133 -12.931 -22.673 100 HD12 LEU 12 HD12 LEU 12 -0.715 -12.823 -21.631 101 HD13 LEU 12 HD13 LEU 12 -0.545 -12.621 -23.374 102 HD21 LEU 12 HD21 LEU 12 -2.895 -11.018 -23.909 103 HD22 LEU 12 HD22 LEU 12 -1.361 -10.311 -24.416 104 HD23 LEU 12 HD23 LEU 12 -2.465 -9.387 -23.396 105 H GLU 13 H GLU 13 -1.736 -10.372 -18.168 106 HA GLU 13 HA GLU 13 -4.280 -10.239 -17.108 107 HB2 GLU 13 HB2 GLU 13 -2.172 -11.405 -16.193 108 HB3 GLU 13 HB3 GLU 13 -1.830 -9.874 -15.400 109 HG2 GLU 13 HG2 GLU 13 -3.721 -10.019 -14.039 110 HG3 GLU 13 HG3 GLU 13 -4.459 -11.263 -15.047 111 H PHE 14 H PHE 14 -1.676 -7.843 -16.880 112 HA PHE 14 HA PHE 14 -3.105 -6.033 -15.233 113 HB2 PHE 14 HB2 PHE 14 -0.724 -5.851 -15.297 114 HB3 PHE 14 HB3 PHE 14 -0.720 -5.679 -17.049 115 HD1 PHE 14 HD2 PHE 14 -2.822 -3.969 -14.503 116 HD2 PHE 14 HD1 PHE 14 0.228 -3.606 -17.450 117 HE1 PHE 14 HE2 PHE 14 -2.880 -1.522 -14.257 118 HE2 PHE 14 HE1 PHE 14 0.175 -1.158 -17.208 119 HZ PHE 14 HZ PHE 14 -1.381 -0.113 -15.611 120 H LEU 15 H LEU 15 -2.561 -6.179 -18.737 121 HA LEU 15 HA LEU 15 -3.802 -3.840 -19.512 122 HB2 LEU 15 HB2 LEU 15 -3.430 -6.503 -20.791 123 HB3 LEU 15 HB3 LEU 15 -4.489 -5.331 -21.573 124 HG LEU 15 HG LEU 15 -1.728 -4.496 -20.814 125 HD11 LEU 15 HD11 LEU 15 -1.923 -6.799 -22.149 126 HD12 LEU 15 HD12 LEU 15 -0.662 -5.609 -22.472 127 HD13 LEU 15 HD13 LEU 15 -2.093 -5.677 -23.500 128 HD21 LEU 15 HD21 LEU 15 -3.845 -3.272 -22.059 129 HD22 LEU 15 HD22 LEU 15 -2.836 -3.781 -23.414 130 HD23 LEU 15 HD23 LEU 15 -2.161 -2.757 -22.146 131 H LEU 16 H LEU 16 -5.279 -7.010 -18.915 132 HA LEU 16 HA LEU 16 -7.934 -6.019 -19.456 133 HB2 LEU 16 HB2 LEU 16 -6.977 -8.415 -19.784 134 HB3 LEU 16 HB3 LEU 16 -7.355 -8.606 -18.073 135 HG LEU 16 HG LEU 16 -9.729 -7.999 -18.632 136 HD11 LEU 16 HD11 LEU 16 -8.521 -7.559 -21.208 137 HD12 LEU 16 HD12 LEU 16 -10.136 -7.142 -20.637 138 HD13 LEU 16 HD13 LEU 16 -9.826 -8.739 -21.317 139 HD21 LEU 16 HD21 LEU 16 -8.949 -10.409 -20.210 140 HD22 LEU 16 HD22 LEU 16 -10.287 -10.186 -19.083 141 HD23 LEU 16 HD23 LEU 16 -8.641 -10.367 -18.474 142 H LYS 17 H LYS 17 -5.868 -6.420 -16.707 143 HA LYS 17 HA LYS 17 -7.776 -6.503 -14.654 144 HB2 LYS 17 HB2 LYS 17 -5.499 -7.007 -14.137 145 HB3 LYS 17 HB3 LYS 17 -4.952 -5.443 -14.729 146 HG2 LYS 17 HG2 LYS 17 -6.151 -4.348 -12.882 147 HG3 LYS 17 HG3 LYS 17 -6.627 -5.936 -12.275 148 HD2 LYS 17 HD2 LYS 17 -3.976 -6.308 -12.468 149 HD3 LYS 17 HD3 LYS 17 -4.006 -4.566 -12.179 150 HE2 LYS 17 HE2 LYS 17 -3.909 -5.415 -10.032 151 HE3 LYS 17 HE3 LYS 17 -5.641 -5.176 -10.257 152 HZ1 LYS 17 HZ1 LYS 17 -4.600 -7.439 -9.372 153 HZ2 LYS 17 HZ2 LYS 17 -4.581 -7.773 -11.029 154 HZ3 LYS 17 HZ3 LYS 17 -6.037 -7.382 -10.263 155 H ALA 18 H ALA 18 -5.991 -3.700 -15.950 156 HA ALA 18 HA ALA 18 -7.222 -1.720 -14.449 157 HB1 ALA 18 HB1 ALA 18 -5.748 -1.810 -17.002 158 HB2 ALA 18 HB2 ALA 18 -6.753 -0.386 -16.734 159 HB3 ALA 18 HB3 ALA 18 -5.493 -0.806 -15.575 160 H HIS 19 H HIS 19 -8.378 -3.440 -17.258 161 HA HIS 19 HA HIS 19 -10.543 -1.642 -17.809 162 HB2 HIS 19 HB2 HIS 19 -9.636 -4.286 -18.837 163 HB3 HIS 19 HB3 HIS 19 -11.322 -3.847 -19.093 164 HD1 HIS 19 HD1 HIS 19 -7.948 -3.287 -20.392 165 HD2 HIS 19 HD2 HIS 19 -11.649 -1.416 -20.645 166 HE1 HIS 19 HE1 HIS 19 -7.777 -1.719 -22.351 167 H GLN 20 H GLN 20 -10.342 -4.908 -16.400 168 HA GLN 20 HA GLN 20 -13.022 -5.260 -15.796 169 HB2 GLN 20 HB2 GLN 20 -11.193 -6.974 -15.596 170 HB3 GLN 20 HB3 GLN 20 -10.723 -6.209 -14.084 171 HG2 GLN 20 HG2 GLN 20 -13.117 -6.618 -13.322 172 HG3 GLN 20 HG3 GLN 20 -13.252 -7.685 -14.719 173 HE21 GLN 20 HE21 GLN 20 -12.320 -9.667 -14.666 174 HE22 GLN 20 HE22 GLN 20 -11.508 -10.315 -13.285 175 H THR 21 H THR 21 -10.565 -3.435 -14.092 176 HA THR 21 HA THR 21 -12.200 -2.979 -11.766 177 HB THR 21 HB THR 21 -10.342 -1.134 -11.418 178 HG1 THR 21 HG1 THR 21 -9.423 -1.310 -13.489 179 HG21 THR 21 HG21 THR 21 -9.236 -2.633 -10.076 180 HG22 THR 21 HG22 THR 21 -9.292 -3.920 -11.281 181 HG23 THR 21 HG23 THR 21 -10.736 -3.516 -10.354 182 H ALA 22 H ALA 22 -11.367 -1.224 -14.703 183 HA ALA 22 HA ALA 22 -12.522 1.252 -13.950 184 HB1 ALA 22 HB1 ALA 22 -12.025 0.136 -16.707 185 HB2 ALA 22 HB2 ALA 22 -12.376 1.821 -16.321 186 HB3 ALA 22 HB3 ALA 22 -10.883 1.077 -15.748 187 H VAL 23 H VAL 23 -13.792 -1.656 -15.439 188 HA VAL 23 HA VAL 23 -16.306 -0.477 -16.175 189 HB VAL 23 HB VAL 23 -15.601 -3.404 -15.925 190 HG11 VAL 23 HG11 VAL 23 -17.964 -3.153 -15.978 191 HG12 VAL 23 HG12 VAL 23 -17.872 -1.953 -17.269 192 HG13 VAL 23 HG13 VAL 23 -17.464 -3.638 -17.597 193 HG21 VAL 23 HG21 VAL 23 -14.779 -1.405 -17.838 194 HG22 VAL 23 HG22 VAL 23 -14.265 -3.085 -17.677 195 HG23 VAL 23 HG23 VAL 23 -15.704 -2.689 -18.616 196 H ASP 24 H ASP 24 -15.014 -2.151 -13.403 197 HA ASP 24 HA ASP 24 -17.611 -2.578 -12.201 198 HB2 ASP 24 HB2 ASP 24 -15.851 -4.210 -11.792 199 HB3 ASP 24 HB3 ASP 24 -14.816 -2.959 -11.107 200 H LYS 25 H LYS 25 -15.084 -0.201 -12.126 201 HA LYS 25 HA LYS 25 -15.536 1.047 -9.692 202 HB2 LYS 25 HB2 LYS 25 -13.687 1.594 -11.254 203 HB3 LYS 25 HB3 LYS 25 -14.844 2.392 -12.311 204 HG2 LYS 25 HG2 LYS 25 -14.074 4.201 -11.185 205 HG3 LYS 25 HG3 LYS 25 -15.383 3.738 -10.096 206 HD2 LYS 25 HD2 LYS 25 -12.776 2.445 -9.607 207 HD3 LYS 25 HD3 LYS 25 -12.849 4.179 -9.290 208 HE2 LYS 25 HE2 LYS 25 -15.016 2.416 -8.245 209 HE3 LYS 25 HE3 LYS 25 -13.457 2.436 -7.422 210 HZ1 LYS 25 HZ1 LYS 25 -15.539 4.398 -7.416 211 HZ2 LYS 25 HZ2 LYS 25 -14.035 5.069 -7.802 212 HZ3 LYS 25 HZ3 LYS 25 -14.233 4.211 -6.358 213 H ILE 26 H ILE 26 -17.149 1.594 -12.806 214 HA ILE 26 HA ILE 26 -18.861 3.649 -11.838 215 HB ILE 26 HB ILE 26 -20.130 3.316 -13.922 216 HG12 ILE 26 HG12 ILE 26 -18.193 1.045 -14.417 217 HG13 ILE 26 HG13 ILE 26 -19.902 0.856 -14.038 218 HG21 ILE 26 HG21 ILE 26 -18.611 4.545 -14.990 219 HG22 ILE 26 HG22 ILE 26 -17.531 4.224 -13.634 220 HG23 ILE 26 HG23 ILE 26 -17.473 3.200 -15.068 221 HD11 ILE 26 HD11 ILE 26 -20.512 1.945 -16.102 222 HD12 ILE 26 HD12 ILE 26 -18.815 2.257 -16.469 223 HD13 ILE 26 HD13 ILE 26 -19.419 0.600 -16.428 224 H GLY 27 H GLY 27 -18.963 0.197 -11.746 225 HA2 GLY 27 HA2 GLY 27 -20.394 -0.916 -10.179 226 HA3 GLY 27 HA3 GLY 27 -21.580 0.360 -10.413 227 H HIS 28 H HIS 28 -19.956 -1.058 -13.139 228 HA HIS 28 HA HIS 28 -22.496 -2.322 -13.921 229 HB2 HIS 28 HB2 HIS 28 -20.302 -1.011 -15.483 230 HB3 HIS 28 HB3 HIS 28 -21.303 -2.236 -16.256 231 HD1 HIS 28 HD1 HIS 28 -22.184 0.709 -14.000 232 HD2 HIS 28 HD2 HIS 28 -23.171 -0.926 -17.690 233 HE1 HIS 28 HE1 HIS 28 -24.007 2.177 -14.920 234 HA PRO 29 HA PRO 29 -20.723 -6.334 -13.908 235 HB2 PRO 29 HB2 PRO 29 -21.939 -7.485 -16.045 236 HB3 PRO 29 HB3 PRO 29 -22.785 -7.130 -14.534 237 HG2 PRO 29 HG2 PRO 29 -22.751 -5.580 -17.095 238 HG3 PRO 29 HG3 PRO 29 -24.120 -5.954 -16.032 239 HD2 PRO 29 HD2 PRO 29 -22.873 -3.550 -16.011 240 HD3 PRO 29 HD3 PRO 29 -23.597 -4.263 -14.555 241 H SER 30 H SER 30 -19.434 -7.882 -15.159 242 HA SER 30 HA SER 30 -17.654 -6.479 -16.999 243 HB2 SER 30 HB2 SER 30 -16.340 -8.725 -16.706 244 HB3 SER 30 HB3 SER 30 -16.364 -7.554 -15.388 245 HG SER 30 HG SER 30 -17.735 -9.996 -15.626 246 H HIS 31 H HIS 31 -20.186 -8.761 -17.038 247 HA HIS 31 HA HIS 31 -19.495 -9.535 -19.796 248 HB2 HIS 31 HB2 HIS 31 -19.594 -11.379 -18.041 249 HB3 HIS 31 HB3 HIS 31 -21.328 -11.080 -17.963 250 HD1 HIS 31 HD1 HIS 31 -18.770 -11.850 -20.682 251 HD2 HIS 31 HD2 HIS 31 -22.708 -12.673 -19.645 252 HE1 HIS 31 HE1 HIS 31 -19.609 -13.441 -22.439 253 H LYS 32 H LYS 32 -20.829 -8.902 -21.362 254 HA LYS 32 HA LYS 32 -23.636 -8.378 -20.781 255 HB2 LYS 32 HB2 LYS 32 -22.400 -6.232 -20.412 256 HB3 LYS 32 HB3 LYS 32 -21.890 -6.289 -22.094 257 HG2 LYS 32 HG2 LYS 32 -24.175 -6.119 -22.840 258 HG3 LYS 32 HG3 LYS 32 -24.756 -6.201 -21.175 259 HD2 LYS 32 HD2 LYS 32 -23.594 -4.103 -20.671 260 HD3 LYS 32 HD3 LYS 32 -23.018 -4.023 -22.338 261 HE2 LYS 32 HE2 LYS 32 -24.870 -2.643 -22.398 262 HE3 LYS 32 HE3 LYS 32 -25.540 -4.180 -22.941 263 HZ1 LYS 32 HZ1 LYS 32 -26.162 -2.653 -20.605 264 HZ2 LYS 32 HZ2 LYS 32 -25.802 -4.262 -20.230 265 HZ3 LYS 32 HZ3 LYS 32 -27.032 -3.907 -21.335 266 H GLN 33 H GLN 33 -24.862 -9.182 -22.351 267 HA GLN 33 HA GLN 33 -23.596 -9.951 -24.867 268 HB2 GLN 33 HB2 GLN 33 -26.245 -10.685 -23.618 269 HB3 GLN 33 HB3 GLN 33 -25.756 -11.202 -25.226 270 HG2 GLN 33 HG2 GLN 33 -23.991 -12.513 -24.376 271 HG3 GLN 33 HG3 GLN 33 -24.123 -11.785 -22.777 272 HE21 GLN 33 HE21 GLN 33 -26.039 -12.252 -21.534 273 HE22 GLN 33 HE22 GLN 33 -26.853 -13.760 -21.753 274 H THR 34 H THR 34 -23.581 -8.359 -26.328 275 HA THR 34 HA THR 34 -26.087 -7.342 -27.315 276 HB THR 34 HB THR 34 -25.004 -4.915 -27.160 277 HG1 THR 34 HG1 THR 34 -23.919 -4.648 -25.200 278 HG21 THR 34 HG21 THR 34 -27.225 -5.855 -26.251 279 HG22 THR 34 HG22 THR 34 -26.561 -4.411 -25.488 280 HG23 THR 34 HG23 THR 34 -26.376 -5.983 -24.712 281 HA PRO 35 HA PRO 35 -23.882 -7.150 -31.105 282 HB2 PRO 35 HB2 PRO 35 -25.063 -5.048 -32.353 283 HB3 PRO 35 HB3 PRO 35 -25.869 -6.604 -32.120 284 HG2 PRO 35 HG2 PRO 35 -26.134 -4.077 -30.536 285 HG3 PRO 35 HG3 PRO 35 -27.399 -5.194 -31.081 286 HD2 PRO 35 HD2 PRO 35 -26.433 -5.208 -28.551 287 HD3 PRO 35 HD3 PRO 35 -27.000 -6.681 -29.365 288 H ALA 36 H ALA 36 -24.182 -4.079 -29.375 289 HA ALA 36 HA ALA 36 -22.271 -2.596 -30.759 290 HB1 ALA 36 HB1 ALA 36 -23.674 -2.399 -28.227 291 HB2 ALA 36 HB2 ALA 36 -22.042 -1.735 -28.144 292 HB3 ALA 36 HB3 ALA 36 -23.180 -1.131 -29.349 293 H ASP 37 H ASP 37 -21.897 -5.158 -28.451 294 HA ASP 37 HA ASP 37 -19.280 -4.648 -27.576 295 HB2 ASP 37 HB2 ASP 37 -20.973 -6.375 -26.700 296 HB3 ASP 37 HB3 ASP 37 -20.384 -7.419 -27.991 297 H HIS 38 H HIS 38 -20.510 -6.339 -30.417 298 HA HIS 38 HA HIS 38 -18.154 -7.491 -31.335 299 HB2 HIS 38 HB2 HIS 38 -20.664 -6.549 -32.654 300 HB3 HIS 38 HB3 HIS 38 -19.299 -7.005 -33.670 301 HD1 HIS 38 HD1 HIS 38 -21.083 -8.578 -30.686 302 HD2 HIS 38 HD2 HIS 38 -19.486 -9.592 -34.385 303 HE1 HIS 38 HE1 HIS 38 -21.511 -11.042 -30.950 304 H ALA 39 H ALA 39 -19.441 -4.239 -31.919 305 HA ALA 39 HA ALA 39 -17.276 -3.441 -33.602 306 HB1 ALA 39 HB1 ALA 39 -18.635 -1.231 -32.332 307 HB2 ALA 39 HB2 ALA 39 -18.585 -1.696 -34.033 308 HB3 ALA 39 HB3 ALA 39 -19.780 -2.419 -32.956 309 H ALA 40 H ALA 40 -17.825 -3.499 -30.183 310 HA ALA 40 HA ALA 40 -16.134 -1.514 -29.260 311 HB1 ALA 40 HB1 ALA 40 -16.659 -2.362 -27.273 312 HB2 ALA 40 HB2 ALA 40 -17.566 -3.609 -28.130 313 HB3 ALA 40 HB3 ALA 40 -15.893 -3.905 -27.655 314 H ILE 41 H ILE 41 -15.358 -4.616 -30.649 315 HA ILE 41 HA ILE 41 -12.768 -5.013 -29.767 316 HB ILE 41 HB ILE 41 -13.836 -5.566 -32.538 317 HG12 ILE 41 HG12 ILE 41 -13.640 -7.464 -30.198 318 HG13 ILE 41 HG13 ILE 41 -15.099 -6.550 -30.565 319 HG21 ILE 41 HG21 ILE 41 -11.479 -5.721 -32.634 320 HG22 ILE 41 HG22 ILE 41 -11.398 -6.549 -31.080 321 HG23 ILE 41 HG23 ILE 41 -12.073 -7.375 -32.484 322 HD11 ILE 41 HD11 ILE 41 -15.584 -8.483 -31.642 323 HD12 ILE 41 HD12 ILE 41 -14.737 -7.647 -32.944 324 HD13 ILE 41 HD13 ILE 41 -13.893 -8.855 -31.976 325 H GLU 42 H GLU 42 -13.987 -2.698 -32.065 326 HA GLU 42 HA GLU 42 -11.671 -2.042 -33.454 327 HB2 GLU 42 HB2 GLU 42 -12.734 -0.005 -34.042 328 HB3 GLU 42 HB3 GLU 42 -14.017 -1.197 -33.881 329 HG2 GLU 42 HG2 GLU 42 -14.330 -0.324 -31.521 330 HG3 GLU 42 HG3 GLU 42 -13.293 1.020 -31.996 331 H ALA 43 H ALA 43 -12.610 -1.315 -30.192 332 HA ALA 43 HA ALA 43 -10.603 0.735 -29.831 333 HB1 ALA 43 HB1 ALA 43 -11.694 1.244 -27.943 334 HB2 ALA 43 HB2 ALA 43 -12.957 0.183 -28.569 335 HB3 ALA 43 HB3 ALA 43 -11.772 -0.439 -27.419 336 H LEU 44 H LEU 44 -11.009 -2.681 -29.093 337 HA LEU 44 HA LEU 44 -8.741 -2.936 -27.415 338 HB2 LEU 44 HB2 LEU 44 -10.049 -5.047 -29.121 339 HB3 LEU 44 HB3 LEU 44 -8.988 -5.324 -27.742 340 HG LEU 44 HG LEU 44 -11.604 -3.882 -27.439 341 HD11 LEU 44 HD11 LEU 44 -11.519 -6.394 -28.451 342 HD12 LEU 44 HD12 LEU 44 -12.822 -5.766 -27.444 343 HD13 LEU 44 HD13 LEU 44 -11.533 -6.726 -26.719 344 HD21 LEU 44 HD21 LEU 44 -11.331 -5.003 -25.141 345 HD22 LEU 44 HD22 LEU 44 -10.304 -3.621 -25.523 346 HD23 LEU 44 HD23 LEU 44 -9.654 -5.258 -25.624 347 H ASP 45 H ASP 45 -9.177 -2.902 -30.861 348 HA ASP 45 HA ASP 45 -6.891 -4.208 -31.736 349 HB2 ASP 45 HB2 ASP 45 -8.696 -3.389 -33.221 350 HB3 ASP 45 HB3 ASP 45 -8.145 -1.737 -32.952 351 H ARG 46 H ARG 46 -7.242 -1.089 -30.246 352 HA ARG 46 HA ARG 46 -4.737 -0.010 -31.035 353 HB2 ARG 46 HB2 ARG 46 -6.814 1.184 -30.039 354 HB3 ARG 46 HB3 ARG 46 -6.135 0.729 -28.482 355 HG2 ARG 46 HG2 ARG 46 -4.002 1.873 -29.246 356 HG3 ARG 46 HG3 ARG 46 -4.965 2.546 -30.562 357 HD2 ARG 46 HD2 ARG 46 -6.568 3.335 -28.723 358 HD3 ARG 46 HD3 ARG 46 -5.246 2.991 -27.607 359 HE ARG 46 HE ARG 46 -4.382 4.630 -29.763 360 HH11 ARG 46 HH11 ARG 46 -6.140 4.691 -26.758 361 HH12 ARG 46 HH12 ARG 46 -5.795 6.358 -26.439 362 HH21 ARG 46 HH21 ARG 46 -3.921 6.827 -29.354 363 HH22 ARG 46 HH22 ARG 46 -4.534 7.573 -27.917 364 H LEU 47 H LEU 47 -5.783 -1.238 -27.850 365 HA LEU 47 HA LEU 47 -3.200 -1.332 -26.748 366 HB2 LEU 47 HB2 LEU 47 -4.155 -2.401 -24.913 367 HB3 LEU 47 HB3 LEU 47 -5.454 -1.403 -25.561 368 HG LEU 47 HG LEU 47 -6.043 -3.681 -26.811 369 HD11 LEU 47 HD11 LEU 47 -5.627 -5.223 -24.531 370 HD12 LEU 47 HD12 LEU 47 -4.080 -4.433 -24.837 371 HD13 LEU 47 HD13 LEU 47 -4.839 -5.405 -26.098 372 HD21 LEU 47 HD21 LEU 47 -7.847 -3.756 -25.441 373 HD22 LEU 47 HD22 LEU 47 -7.217 -2.188 -24.937 374 HD23 LEU 47 HD23 LEU 47 -6.880 -3.626 -23.972 375 H LEU 48 H LEU 48 -5.054 -3.665 -28.597 376 HA LEU 48 HA LEU 48 -3.428 -5.919 -28.105 377 HB2 LEU 48 HB2 LEU 48 -5.249 -5.214 -30.394 378 HB3 LEU 48 HB3 LEU 48 -4.435 -6.770 -30.251 379 HG LEU 48 HG LEU 48 -6.269 -5.746 -28.103 380 HD11 LEU 48 HD11 LEU 48 -8.139 -6.481 -29.155 381 HD12 LEU 48 HD12 LEU 48 -7.272 -7.693 -30.097 382 HD13 LEU 48 HD13 LEU 48 -7.214 -5.997 -30.577 383 HD21 LEU 48 HD21 LEU 48 -4.971 -8.334 -28.814 384 HD22 LEU 48 HD22 LEU 48 -6.522 -8.351 -27.975 385 HD23 LEU 48 HD23 LEU 48 -5.133 -7.547 -27.244 386 H LEU 49 H LEU 49 -3.540 -3.741 -30.928 387 HA LEU 49 HA LEU 49 -1.345 -4.820 -32.273 388 HB2 LEU 49 HB2 LEU 49 -2.853 -3.340 -33.395 389 HB3 LEU 49 HB3 LEU 49 -2.483 -2.032 -32.273 390 HG LEU 49 HG LEU 49 -0.099 -2.159 -33.214 391 HD11 LEU 49 HD11 LEU 49 0.069 -4.073 -34.456 392 HD12 LEU 49 HD12 LEU 49 -0.327 -2.909 -35.719 393 HD13 LEU 49 HD13 LEU 49 -1.583 -3.959 -35.063 394 HD21 LEU 49 HD21 LEU 49 -1.804 -1.256 -35.418 395 HD22 LEU 49 HD22 LEU 49 -0.631 -0.365 -34.448 396 HD23 LEU 49 HD23 LEU 49 -2.264 -0.629 -33.835 397 H ASP 50 H ASP 50 -1.512 -2.188 -29.906 398 HA ASP 50 HA ASP 50 1.157 -1.377 -30.009 399 HB2 ASP 50 HB2 ASP 50 -1.014 -1.209 -27.968 400 HB3 ASP 50 HB3 ASP 50 0.631 -0.832 -27.464 401 H VAL 51 H VAL 51 -0.358 -3.615 -27.677 402 HA VAL 51 HA VAL 51 2.010 -4.400 -26.408 403 HB VAL 51 HB VAL 51 -0.538 -5.988 -26.752 404 HG11 VAL 51 HG11 VAL 51 0.755 -7.634 -25.920 405 HG12 VAL 51 HG12 VAL 51 1.978 -6.514 -25.317 406 HG13 VAL 51 HG13 VAL 51 0.501 -6.791 -24.393 407 HG21 VAL 51 HG21 VAL 51 -0.184 -3.583 -25.458 408 HG22 VAL 51 HG22 VAL 51 -1.476 -4.744 -25.149 409 HG23 VAL 51 HG23 VAL 51 -0.015 -4.767 -24.162 410 H ARG 52 H ARG 52 0.511 -5.485 -29.370 411 HA ARG 52 HA ARG 52 2.076 -7.864 -29.636 412 HB2 ARG 52 HB2 ARG 52 -0.132 -7.555 -30.727 413 HB3 ARG 52 HB3 ARG 52 0.577 -6.322 -31.760 414 HG2 ARG 52 HG2 ARG 52 1.759 -7.843 -33.003 415 HG3 ARG 52 HG3 ARG 52 1.803 -9.034 -31.701 416 HD2 ARG 52 HD2 ARG 52 0.327 -9.775 -33.482 417 HD3 ARG 52 HD3 ARG 52 -0.592 -9.449 -32.013 418 HE ARG 52 HE ARG 52 -0.555 -7.158 -33.664 419 HH11 ARG 52 HH11 ARG 52 -1.962 -10.335 -33.436 420 HH12 ARG 52 HH12 ARG 52 -3.387 -9.910 -34.325 421 HH21 ARG 52 HH21 ARG 52 -2.426 -6.587 -34.837 422 HH22 ARG 52 HH22 ARG 52 -3.649 -7.779 -35.123 423 H ALA 53 H ALA 53 2.443 -4.521 -30.562 424 HA ALA 53 HA ALA 53 4.803 -5.129 -32.176 425 HB1 ALA 53 HB1 ALA 53 4.766 -2.665 -32.647 426 HB2 ALA 53 HB2 ALA 53 3.339 -3.551 -33.188 427 HB3 ALA 53 HB3 ALA 53 3.269 -2.580 -31.717 428 H ARG 54 H ARG 54 4.668 -5.413 -29.199 429 HA ARG 54 HA ARG 54 5.980 -5.028 -27.380 430 HB2 ARG 54 HB2 ARG 54 7.828 -4.274 -29.630 431 HB3 ARG 54 HB3 ARG 54 8.340 -4.146 -27.952 432 HG2 ARG 54 HG2 ARG 54 7.612 -6.602 -27.757 433 HG3 ARG 54 HG3 ARG 54 7.640 -6.595 -29.522 434 HD2 ARG 54 HD2 ARG 54 10.000 -5.665 -29.321 435 HD3 ARG 54 HD3 ARG 54 9.912 -6.103 -27.616 436 HE ARG 54 HE ARG 54 10.263 -7.879 -29.841 437 HH11 ARG 54 HH11 ARG 54 9.098 -7.603 -26.572 438 HH12 ARG 54 HH12 ARG 54 9.300 -9.288 -26.220 439 HH21 ARG 54 HH21 ARG 54 10.533 -10.098 -29.390 440 HH22 ARG 54 HH22 ARG 54 10.117 -10.706 -27.823 441 H ARG 55 H ARG 55 4.113 -3.163 -27.549 442 HA ARG 55 HA ARG 55 5.512 -0.614 -27.063 443 HB2 ARG 55 HB2 ARG 55 2.627 -0.984 -27.888 444 HB3 ARG 55 HB3 ARG 55 3.480 0.543 -27.707 445 HG2 ARG 55 HG2 ARG 55 5.034 -0.253 -29.532 446 HG3 ARG 55 HG3 ARG 55 3.888 -1.566 -29.804 447 HD2 ARG 55 HD2 ARG 55 2.139 0.364 -29.927 448 HD3 ARG 55 HD3 ARG 55 3.552 1.371 -30.242 449 HE ARG 55 HE ARG 55 3.818 -0.682 -31.999 450 HH11 ARG 55 HH11 ARG 55 1.268 1.577 -31.280 451 HH12 ARG 55 HH12 ARG 55 0.640 1.583 -32.895 452 HH21 ARG 55 HH21 ARG 55 3.001 -0.682 -34.129 453 HH22 ARG 55 HH22 ARG 55 1.626 0.297 -34.514 454 H VAL 56 H VAL 56 4.962 -2.869 -25.205 455 HA VAL 56 HA VAL 56 2.964 -1.790 -23.388 456 HB VAL 56 HB VAL 56 4.739 -4.220 -23.111 457 HG11 VAL 56 HG11 VAL 56 2.621 -3.036 -21.366 458 HG12 VAL 56 HG12 VAL 56 2.877 -4.782 -21.388 459 HG13 VAL 56 HG13 VAL 56 4.193 -3.703 -20.925 460 HG21 VAL 56 HG21 VAL 56 2.148 -3.739 -24.408 461 HG22 VAL 56 HG22 VAL 56 3.339 -5.010 -24.686 462 HG23 VAL 56 HG23 VAL 56 2.200 -5.146 -23.346 463 H ASP 57 H ASP 57 3.378 -0.966 -21.357 464 HA ASP 57 HA ASP 57 6.090 -0.788 -20.366 465 HB2 ASP 57 HB2 ASP 57 5.514 1.173 -22.056 466 HB3 ASP 57 HB3 ASP 57 4.710 1.845 -20.640 467 H GLN 58 H GLN 58 6.022 0.762 -18.322 468 HA GLN 58 HA GLN 58 3.822 -0.249 -16.690 469 HB2 GLN 58 HB2 GLN 58 5.194 0.389 -14.774 470 HB3 GLN 58 HB3 GLN 58 6.112 -0.614 -15.890 471 HG2 GLN 58 HG2 GLN 58 7.663 0.982 -15.468 472 HG3 GLN 58 HG3 GLN 58 6.850 1.734 -16.840 473 HE21 GLN 58 HE21 GLN 58 7.565 3.769 -16.112 474 HE22 GLN 58 HE22 GLN 58 6.794 4.569 -14.789 475 H PHE 59 H PHE 59 2.571 1.087 -15.343 476 HA PHE 59 HA PHE 59 2.812 3.956 -15.516 477 HB2 PHE 59 HB2 PHE 59 1.544 3.161 -17.606 478 HB3 PHE 59 HB3 PHE 59 0.231 2.758 -16.504 479 HD1 PHE 59 HD2 PHE 59 2.482 5.605 -17.357 480 HD2 PHE 59 HD1 PHE 59 -1.379 4.343 -16.086 481 HE1 PHE 59 HE2 PHE 59 1.693 7.933 -17.454 482 HE2 PHE 59 HE1 PHE 59 -2.175 6.669 -16.183 483 HZ PHE 59 HZ PHE 59 -0.638 8.468 -16.866 484 H GLN 60 H GLN 60 1.312 5.071 -14.100 485 HA GLN 60 HA GLN 60 -0.078 3.361 -12.170 486 HB2 GLN 60 HB2 GLN 60 2.032 3.725 -11.108 487 HB3 GLN 60 HB3 GLN 60 2.010 5.437 -11.511 488 HG2 GLN 60 HG2 GLN 60 -0.202 4.388 -9.841 489 HG3 GLN 60 HG3 GLN 60 1.391 4.537 -9.102 490 HE21 GLN 60 HE21 GLN 60 -0.726 5.998 -8.175 491 HE22 GLN 60 HE22 GLN 60 -0.488 7.669 -8.546 492 H ILE 61 H ILE 61 -2.113 4.024 -12.145 493 HA ILE 61 HA ILE 61 -2.796 6.744 -12.885 494 HB ILE 61 HB ILE 61 -4.588 4.433 -12.129 495 HG12 ILE 61 HG12 ILE 61 -4.150 5.567 -14.886 496 HG13 ILE 61 HG13 ILE 61 -3.141 4.272 -14.250 497 HG21 ILE 61 HG21 ILE 61 -6.185 5.972 -11.963 498 HG22 ILE 61 HG22 ILE 61 -5.110 7.242 -12.547 499 HG23 ILE 61 HG23 ILE 61 -6.000 6.243 -13.696 500 HD11 ILE 61 HD11 ILE 61 -5.916 4.216 -15.207 501 HD12 ILE 61 HD12 ILE 61 -4.670 2.968 -15.243 502 HD13 ILE 61 HD13 ILE 61 -5.586 3.258 -13.764 503 H ASN 62 H ASN 62 -3.503 4.596 -10.125 504 HA ASN 62 HA ASN 62 -3.544 6.975 -8.399 505 HB2 ASN 62 HB2 ASN 62 -5.571 4.739 -8.484 506 HB3 ASN 62 HB3 ASN 62 -5.408 5.823 -7.106 507 HD21 ASN 62 HD21 ASN 62 -7.393 5.292 -9.449 508 HD22 ASN 62 HD22 ASN 62 -7.830 6.891 -9.935 509 H ALA 63 H ALA 63 -2.842 6.662 -6.275 510 HA ALA 63 HA ALA 63 -1.117 4.342 -5.928 511 HB1 ALA 63 HB1 ALA 63 -1.362 6.640 -4.013 512 HB2 ALA 63 HB2 ALA 63 0.007 5.557 -4.272 513 HB3 ALA 63 HB3 ALA 63 -0.410 6.758 -5.494 514 H SER 64 H SER 64 -4.109 5.619 -4.749 515 HA SER 64 HA SER 64 -4.197 4.097 -2.331 516 HB2 SER 64 HB2 SER 64 -6.262 5.071 -1.965 517 HB3 SER 64 HB3 SER 64 -5.546 6.248 -3.065 518 HG SER 64 HG SER 64 -7.196 5.861 -4.292 519 H ALA 65 H ALA 65 -5.094 3.541 -5.647 520 HA ALA 65 HA ALA 65 -6.491 1.067 -4.953 521 HB1 ALA 65 HB1 ALA 65 -6.116 2.062 -7.751 522 HB2 ALA 65 HB2 ALA 65 -7.421 1.085 -7.077 523 HB3 ALA 65 HB3 ALA 65 -7.313 2.801 -6.686 524 H ALA 66 H ALA 66 -6.024 -0.781 -6.599 525 HA ALA 66 HA ALA 66 -3.518 -1.825 -6.095 526 HB1 ALA 66 HB1 ALA 66 -5.080 -3.392 -6.756 527 HB2 ALA 66 HB2 ALA 66 -5.599 -2.441 -8.149 528 HB3 ALA 66 HB3 ALA 66 -4.047 -3.278 -8.182 529 H GLN 67 H GLN 67 -1.573 -1.190 -6.730 530 HA GLN 67 HA GLN 67 -1.289 0.431 -9.135 531 HB2 GLN 67 HB2 GLN 67 0.353 -0.067 -6.705 532 HB3 GLN 67 HB3 GLN 67 1.203 0.366 -8.183 533 HG2 GLN 67 HG2 GLN 67 -0.211 2.386 -8.355 534 HG3 GLN 67 HG3 GLN 67 -0.941 1.965 -6.806 535 HE21 GLN 67 HE21 GLN 67 2.231 2.484 -8.300 536 HE22 GLN 67 HE22 GLN 67 2.939 3.266 -6.932 537 H ILE 68 H ILE 68 0.144 -0.066 -10.821 538 HA ILE 68 HA ILE 68 1.212 -2.797 -10.881 539 HB ILE 68 HB ILE 68 -0.363 -1.585 -13.154 540 HG12 ILE 68 HG12 ILE 68 -1.785 -3.747 -12.525 541 HG13 ILE 68 HG13 ILE 68 -1.103 -3.433 -10.933 542 HG21 ILE 68 HG21 ILE 68 1.507 -3.768 -12.990 543 HG22 ILE 68 HG22 ILE 68 -0.083 -4.341 -13.491 544 HG23 ILE 68 HG23 ILE 68 0.723 -3.066 -14.405 545 HD11 ILE 68 HD11 ILE 68 -3.224 -2.063 -12.357 546 HD12 ILE 68 HD12 ILE 68 -2.825 -2.065 -10.638 547 HD13 ILE 68 HD13 ILE 68 -1.997 -0.960 -11.734 548 H ILE 69 H ILE 69 3.148 -3.003 -11.883 549 HA ILE 69 HA ILE 69 4.139 -0.815 -13.548 550 HB ILE 69 HB ILE 69 5.647 -1.863 -11.150 551 HG12 ILE 69 HG12 ILE 69 5.540 0.744 -10.697 552 HG13 ILE 69 HG13 ILE 69 4.099 0.633 -11.701 553 HG21 ILE 69 HG21 ILE 69 6.580 -0.731 -13.583 554 HG22 ILE 69 HG22 ILE 69 6.852 0.434 -12.288 555 HG23 ILE 69 HG23 ILE 69 7.507 -1.198 -12.157 556 HD11 ILE 69 HD11 ILE 69 2.968 0.043 -9.898 557 HD12 ILE 69 HD12 ILE 69 3.906 -1.449 -9.840 558 HD13 ILE 69 HD13 ILE 69 4.448 -0.031 -8.943 559 H VAL 70 H VAL 70 4.371 -1.976 -15.379 560 HA VAL 70 HA VAL 70 5.094 -4.659 -15.593 561 HB VAL 70 HB VAL 70 5.571 -2.451 -17.600 562 HG11 VAL 70 HG11 VAL 70 5.070 -4.957 -18.822 563 HG12 VAL 70 HG12 VAL 70 6.536 -3.977 -18.891 564 HG13 VAL 70 HG13 VAL 70 6.343 -5.189 -17.625 565 HG21 VAL 70 HG21 VAL 70 3.240 -4.322 -17.200 566 HG22 VAL 70 HG22 VAL 70 3.241 -2.570 -16.996 567 HG23 VAL 70 HG23 VAL 70 3.454 -3.271 -18.600 568 H THR 71 H THR 71 6.935 -5.679 -15.200 569 HA THR 71 HA THR 71 9.353 -4.204 -14.661 570 HB THR 71 HB THR 71 10.229 -6.707 -14.495 571 HG1 THR 71 HG1 THR 71 8.069 -7.402 -15.339 572 HG21 THR 71 HG21 THR 71 9.685 -6.688 -12.164 573 HG22 THR 71 HG22 THR 71 8.314 -5.613 -12.436 574 HG23 THR 71 HG23 THR 71 9.959 -5.019 -12.659 575 H ASP 72 H ASP 72 9.658 -3.321 -16.808 576 HA ASP 72 HA ASP 72 10.087 -4.939 -19.085 577 HB2 ASP 72 HB2 ASP 72 11.137 -2.917 -20.058 578 HB3 ASP 72 HB3 ASP 72 9.581 -2.572 -19.308 Start of MODEL 5 1 H1 MET 1 H MET 1 1.486 -3.164 0.825 2 HA MET 1 HA MET 1 2.688 -3.620 -1.560 3 HB2 MET 1 HB2 MET 1 1.664 -5.944 -1.458 4 HB3 MET 1 HB3 MET 1 2.555 -5.421 -0.035 5 HG2 MET 1 HG2 MET 1 0.659 -5.209 1.246 6 HG3 MET 1 HG3 MET 1 -0.391 -5.000 -0.154 7 HE1 MET 1 HE1 MET 1 -0.635 -8.419 2.278 8 HE2 MET 1 HE2 MET 1 1.023 -7.828 2.392 9 HE3 MET 1 HE3 MET 1 -0.328 -6.706 2.565 10 H ASP 2 H ASP 2 1.658 -2.075 -3.005 11 HA ASP 2 HA ASP 2 -0.717 -3.228 -4.313 12 HB2 ASP 2 HB2 ASP 2 -1.259 -0.839 -4.989 13 HB3 ASP 2 HB3 ASP 2 -1.490 -1.232 -3.287 14 H ARG 3 H ARG 3 1.209 -4.324 -5.419 15 HA ARG 3 HA ARG 3 1.703 -2.888 -7.900 16 HB2 ARG 3 HB2 ARG 3 3.928 -3.991 -6.176 17 HB3 ARG 3 HB3 ARG 3 4.127 -3.483 -7.848 18 HG2 ARG 3 HG2 ARG 3 3.351 -1.209 -7.168 19 HG3 ARG 3 HG3 ARG 3 3.395 -1.763 -5.493 20 HD2 ARG 3 HD2 ARG 3 5.808 -2.380 -5.884 21 HD3 ARG 3 HD3 ARG 3 5.693 -1.530 -7.424 22 HE ARG 3 HE ARG 3 4.845 0.092 -5.235 23 HH11 ARG 3 HH11 ARG 3 7.644 -1.101 -6.927 24 HH12 ARG 3 HH12 ARG 3 8.653 0.229 -6.463 25 HH21 ARG 3 HH21 ARG 3 6.163 1.848 -4.618 26 HH22 ARG 3 HH22 ARG 3 7.809 1.906 -5.149 27 H ILE 4 H ILE 4 1.867 -4.210 -9.662 28 HA ILE 4 HA ILE 4 1.935 -7.111 -9.181 29 HB ILE 4 HB ILE 4 0.046 -5.700 -11.069 30 HG12 ILE 4 HG12 ILE 4 -0.607 -7.381 -8.644 31 HG13 ILE 4 HG13 ILE 4 -0.511 -5.624 -8.604 32 HG21 ILE 4 HG21 ILE 4 0.626 -7.704 -12.128 33 HG22 ILE 4 HG22 ILE 4 0.666 -8.599 -10.610 34 HG23 ILE 4 HG23 ILE 4 -0.877 -8.075 -11.283 35 HD11 ILE 4 HD11 ILE 4 -2.573 -5.436 -9.381 36 HD12 ILE 4 HD12 ILE 4 -2.221 -6.501 -10.742 37 HD13 ILE 4 HD13 ILE 4 -2.734 -7.182 -9.199 38 H PHE 5 H PHE 5 3.787 -7.742 -10.084 39 HA PHE 5 HA PHE 5 4.831 -6.432 -12.445 40 HB2 PHE 5 HB2 PHE 5 5.914 -8.813 -10.925 41 HB3 PHE 5 HB3 PHE 5 6.773 -7.882 -12.148 42 HD1 PHE 5 HD2 PHE 5 6.936 -5.300 -11.642 43 HD2 PHE 5 HD1 PHE 5 6.276 -8.318 -8.715 44 HE1 PHE 5 HE2 PHE 5 7.781 -3.787 -9.896 45 HE2 PHE 5 HE1 PHE 5 7.120 -6.810 -6.964 46 HZ PHE 5 HZ PHE 5 7.875 -4.541 -7.554 47 H MET 6 H MET 6 4.614 -7.111 -14.480 48 HA MET 6 HA MET 6 4.025 -9.905 -15.043 49 HB2 MET 6 HB2 MET 6 2.137 -7.640 -15.533 50 HB3 MET 6 HB3 MET 6 2.193 -8.964 -16.688 51 HG2 MET 6 HG2 MET 6 1.543 -10.542 -15.048 52 HG3 MET 6 HG3 MET 6 1.777 -9.380 -13.744 53 HE1 MET 6 HE1 MET 6 -1.910 -9.650 -13.312 54 HE2 MET 6 HE2 MET 6 -1.325 -11.028 -14.245 55 HE3 MET 6 HE3 MET 6 -0.334 -10.355 -12.950 56 H THR 7 H THR 7 4.628 -10.563 -17.097 57 HA THR 7 HA THR 7 6.561 -8.886 -18.407 58 HB THR 7 HB THR 7 6.961 -10.781 -19.883 59 HG1 THR 7 HG1 THR 7 5.646 -12.731 -19.411 60 HG21 THR 7 HG21 THR 7 6.614 -12.222 -17.330 61 HG22 THR 7 HG22 THR 7 7.525 -10.715 -17.244 62 HG23 THR 7 HG23 THR 7 8.054 -12.005 -18.323 63 H ARG 8 H ARG 8 6.449 -9.168 -20.995 64 HA ARG 8 HA ARG 8 4.573 -7.361 -21.913 65 HB2 ARG 8 HB2 ARG 8 5.941 -9.542 -23.499 66 HB3 ARG 8 HB3 ARG 8 5.164 -8.119 -24.179 67 HG2 ARG 8 HG2 ARG 8 6.788 -6.675 -23.172 68 HG3 ARG 8 HG3 ARG 8 7.501 -8.025 -22.286 69 HD2 ARG 8 HD2 ARG 8 7.876 -9.059 -24.621 70 HD3 ARG 8 HD3 ARG 8 7.607 -7.422 -25.220 71 HE ARG 8 HE ARG 8 9.526 -7.376 -23.156 72 HH11 ARG 8 HH11 ARG 8 9.129 -8.379 -26.467 73 HH12 ARG 8 HH12 ARG 8 10.804 -8.184 -26.863 74 HH21 ARG 8 HH21 ARG 8 11.734 -7.116 -23.666 75 HH22 ARG 8 HH22 ARG 8 12.285 -7.467 -25.269 76 H THR 9 H THR 9 4.456 -10.908 -22.064 77 HA THR 9 HA THR 9 1.918 -11.002 -23.355 78 HB THR 9 HB THR 9 2.988 -13.261 -21.692 79 HG1 THR 9 HG1 THR 9 4.355 -13.796 -23.428 80 HG21 THR 9 HG21 THR 9 2.050 -14.600 -23.545 81 HG22 THR 9 HG22 THR 9 1.516 -13.111 -24.326 82 HG23 THR 9 HG23 THR 9 0.835 -13.584 -22.769 83 H GLU 10 H GLU 10 2.963 -11.515 -19.992 84 HA GLU 10 HA GLU 10 0.437 -12.076 -18.923 85 HB2 GLU 10 HB2 GLU 10 2.732 -10.698 -17.520 86 HB3 GLU 10 HB3 GLU 10 1.409 -11.569 -16.758 87 HG2 GLU 10 HG2 GLU 10 3.288 -12.911 -18.668 88 HG3 GLU 10 HG3 GLU 10 3.655 -12.751 -16.951 89 H ALA 11 H ALA 11 1.792 -9.135 -20.034 90 HA ALA 11 HA ALA 11 0.584 -7.193 -18.498 91 HB1 ALA 11 HB1 ALA 11 0.593 -6.798 -21.443 92 HB2 ALA 11 HB2 ALA 11 1.121 -5.717 -20.153 93 HB3 ALA 11 HB3 ALA 11 2.136 -7.077 -20.634 94 H LEU 12 H LEU 12 -0.853 -9.317 -20.863 95 HA LEU 12 HA LEU 12 -3.193 -8.009 -21.498 96 HB2 LEU 12 HB2 LEU 12 -4.165 -10.183 -21.911 97 HB3 LEU 12 HB3 LEU 12 -2.496 -10.140 -22.477 98 HG LEU 12 HG LEU 12 -2.102 -11.204 -20.049 99 HD11 LEU 12 HD11 LEU 12 -4.754 -11.106 -19.931 100 HD12 LEU 12 HD12 LEU 12 -3.824 -12.414 -19.200 101 HD13 LEU 12 HD13 LEU 12 -4.586 -12.647 -20.773 102 HD21 LEU 12 HD21 LEU 12 -1.674 -13.191 -21.145 103 HD22 LEU 12 HD22 LEU 12 -1.612 -12.024 -22.466 104 HD23 LEU 12 HD23 LEU 12 -3.053 -13.013 -22.230 105 H GLU 13 H GLU 13 -2.455 -9.917 -18.613 106 HA GLU 13 HA GLU 13 -4.995 -9.971 -17.469 107 HB2 GLU 13 HB2 GLU 13 -2.219 -10.252 -16.479 108 HB3 GLU 13 HB3 GLU 13 -3.432 -9.856 -15.270 109 HG2 GLU 13 HG2 GLU 13 -4.011 -12.072 -17.156 110 HG3 GLU 13 HG3 GLU 13 -2.830 -12.347 -15.877 111 H PHE 14 H PHE 14 -2.462 -7.514 -17.287 112 HA PHE 14 HA PHE 14 -3.804 -5.860 -15.409 113 HB2 PHE 14 HB2 PHE 14 -1.439 -5.602 -15.637 114 HB3 PHE 14 HB3 PHE 14 -1.574 -5.318 -17.370 115 HD1 PHE 14 HD2 PHE 14 -3.501 -3.844 -14.551 116 HD2 PHE 14 HD1 PHE 14 -0.733 -3.193 -17.718 117 HE1 PHE 14 HE2 PHE 14 -3.606 -1.421 -14.140 118 HE2 PHE 14 HE1 PHE 14 -0.833 -0.768 -17.312 119 HZ PHE 14 HZ PHE 14 -2.272 0.121 -15.522 120 H LEU 15 H LEU 15 -3.494 -5.742 -18.946 121 HA LEU 15 HA LEU 15 -4.911 -3.408 -19.427 122 HB2 LEU 15 HB2 LEU 15 -4.917 -5.900 -21.122 123 HB3 LEU 15 HB3 LEU 15 -5.311 -4.269 -21.661 124 HG LEU 15 HG LEU 15 -2.605 -4.798 -20.523 125 HD11 LEU 15 HD11 LEU 15 -2.491 -5.076 -23.342 126 HD12 LEU 15 HD12 LEU 15 -3.658 -6.245 -22.724 127 HD13 LEU 15 HD13 LEU 15 -2.008 -6.232 -22.100 128 HD21 LEU 15 HD21 LEU 15 -2.057 -2.849 -21.512 129 HD22 LEU 15 HD22 LEU 15 -3.798 -2.568 -21.455 130 HD23 LEU 15 HD23 LEU 15 -3.049 -3.167 -22.936 131 H LEU 16 H LEU 16 -6.113 -6.719 -19.051 132 HA LEU 16 HA LEU 16 -8.854 -5.935 -19.453 133 HB2 LEU 16 HB2 LEU 16 -7.375 -8.436 -18.980 134 HB3 LEU 16 HB3 LEU 16 -9.017 -8.396 -18.343 135 HG LEU 16 HG LEU 16 -9.659 -7.639 -20.743 136 HD11 LEU 16 HD11 LEU 16 -7.344 -7.291 -21.496 137 HD12 LEU 16 HD12 LEU 16 -8.202 -8.470 -22.487 138 HD13 LEU 16 HD13 LEU 16 -7.031 -9.014 -21.285 139 HD21 LEU 16 HD21 LEU 16 -10.208 -9.804 -19.617 140 HD22 LEU 16 HD22 LEU 16 -8.739 -10.477 -20.324 141 HD23 LEU 16 HD23 LEU 16 -10.041 -9.908 -21.370 142 H LYS 17 H LYS 17 -6.688 -6.337 -16.769 143 HA LYS 17 HA LYS 17 -8.559 -6.627 -14.693 144 HB2 LYS 17 HB2 LYS 17 -6.255 -7.074 -14.244 145 HB3 LYS 17 HB3 LYS 17 -5.778 -5.457 -14.746 146 HG2 LYS 17 HG2 LYS 17 -6.903 -4.502 -12.819 147 HG3 LYS 17 HG3 LYS 17 -7.452 -6.106 -12.327 148 HD2 LYS 17 HD2 LYS 17 -4.540 -5.737 -12.753 149 HD3 LYS 17 HD3 LYS 17 -5.253 -4.969 -11.332 150 HE2 LYS 17 HE2 LYS 17 -5.913 -7.816 -11.914 151 HE3 LYS 17 HE3 LYS 17 -4.331 -7.434 -11.236 152 HZ1 LYS 17 HZ1 LYS 17 -6.188 -6.009 -9.758 153 HZ2 LYS 17 HZ2 LYS 17 -5.294 -7.356 -9.259 154 HZ3 LYS 17 HZ3 LYS 17 -6.833 -7.564 -9.931 155 H ALA 18 H ALA 18 -6.940 -3.698 -15.919 156 HA ALA 18 HA ALA 18 -8.322 -1.888 -14.261 157 HB1 ALA 18 HB1 ALA 18 -6.210 -1.654 -15.891 158 HB2 ALA 18 HB2 ALA 18 -7.452 -0.937 -16.919 159 HB3 ALA 18 HB3 ALA 18 -7.142 -0.272 -15.316 160 H HIS 19 H HIS 19 -9.028 -3.188 -17.460 161 HA HIS 19 HA HIS 19 -11.114 -1.488 -18.191 162 HB2 HIS 19 HB2 HIS 19 -9.923 -3.379 -19.526 163 HB3 HIS 19 HB3 HIS 19 -11.174 -4.418 -18.849 164 HD1 HIS 19 HD1 HIS 19 -12.042 -4.773 -21.307 165 HD2 HIS 19 HD2 HIS 19 -12.344 -0.884 -19.875 166 HE1 HIS 19 HE1 HIS 19 -13.602 -3.593 -22.888 167 H GLN 20 H GLN 20 -11.221 -4.555 -16.397 168 HA GLN 20 HA GLN 20 -13.956 -4.805 -16.091 169 HB2 GLN 20 HB2 GLN 20 -11.616 -5.649 -14.430 170 HB3 GLN 20 HB3 GLN 20 -13.242 -5.868 -13.796 171 HG2 GLN 20 HG2 GLN 20 -13.787 -7.117 -15.901 172 HG3 GLN 20 HG3 GLN 20 -12.069 -7.057 -16.293 173 HE21 GLN 20 HE21 GLN 20 -14.139 -9.188 -15.445 174 HE22 GLN 20 HE22 GLN 20 -13.283 -10.109 -14.260 175 H THR 21 H THR 21 -11.712 -2.725 -14.391 176 HA THR 21 HA THR 21 -13.686 -1.898 -12.440 177 HB THR 21 HB THR 21 -11.088 -0.464 -12.890 178 HG1 THR 21 HG1 THR 21 -10.244 -2.098 -11.347 179 HG21 THR 21 HG21 THR 21 -12.215 0.595 -11.187 180 HG22 THR 21 HG22 THR 21 -11.312 -0.610 -10.269 181 HG23 THR 21 HG23 THR 21 -13.012 -0.883 -10.650 182 H ALA 22 H ALA 22 -12.371 -0.760 -15.467 183 HA ALA 22 HA ALA 22 -13.353 1.908 -15.275 184 HB1 ALA 22 HB1 ALA 22 -12.557 2.219 -17.425 185 HB2 ALA 22 HB2 ALA 22 -11.509 0.938 -16.814 186 HB3 ALA 22 HB3 ALA 22 -12.851 0.542 -17.887 187 H VAL 23 H VAL 23 -14.663 -1.123 -16.443 188 HA VAL 23 HA VAL 23 -16.876 -0.033 -17.847 189 HB VAL 23 HB VAL 23 -16.594 -2.772 -16.603 190 HG11 VAL 23 HG11 VAL 23 -18.734 -3.011 -17.175 191 HG12 VAL 23 HG12 VAL 23 -18.748 -1.476 -18.045 192 HG13 VAL 23 HG13 VAL 23 -18.198 -2.944 -18.854 193 HG21 VAL 23 HG21 VAL 23 -16.327 -2.623 -19.478 194 HG22 VAL 23 HG22 VAL 23 -15.112 -1.636 -18.665 195 HG23 VAL 23 HG23 VAL 23 -15.253 -3.353 -18.285 196 H ASP 24 H ASP 24 -16.454 -1.244 -14.546 197 HA ASP 24 HA ASP 24 -19.206 -0.667 -13.859 198 HB2 ASP 24 HB2 ASP 24 -18.076 -2.619 -12.880 199 HB3 ASP 24 HB3 ASP 24 -16.895 -1.556 -12.120 200 H LYS 25 H LYS 25 -16.175 0.941 -13.790 201 HA LYS 25 HA LYS 25 -16.437 2.687 -11.653 202 HB2 LYS 25 HB2 LYS 25 -14.897 2.580 -14.128 203 HB3 LYS 25 HB3 LYS 25 -15.266 4.229 -13.639 204 HG2 LYS 25 HG2 LYS 25 -14.085 2.234 -11.736 205 HG3 LYS 25 HG3 LYS 25 -13.088 3.220 -12.808 206 HD2 LYS 25 HD2 LYS 25 -15.116 4.364 -10.894 207 HD3 LYS 25 HD3 LYS 25 -13.410 4.147 -10.494 208 HE2 LYS 25 HE2 LYS 25 -12.953 5.506 -12.626 209 HE3 LYS 25 HE3 LYS 25 -14.652 5.965 -12.534 210 HZ1 LYS 25 HZ1 LYS 25 -13.221 7.589 -11.454 211 HZ2 LYS 25 HZ2 LYS 25 -12.635 6.404 -10.398 212 HZ3 LYS 25 HZ3 LYS 25 -14.262 6.865 -10.333 213 H ILE 26 H ILE 26 -17.800 2.896 -14.902 214 HA ILE 26 HA ILE 26 -18.866 5.513 -14.608 215 HB ILE 26 HB ILE 26 -20.271 4.933 -16.576 216 HG12 ILE 26 HG12 ILE 26 -18.968 2.474 -17.278 217 HG13 ILE 26 HG13 ILE 26 -19.741 2.289 -15.707 218 HG21 ILE 26 HG21 ILE 26 -18.102 5.869 -16.959 219 HG22 ILE 26 HG22 ILE 26 -17.330 4.302 -16.728 220 HG23 ILE 26 HG23 ILE 26 -18.357 4.579 -18.134 221 HD11 ILE 26 HD11 ILE 26 -20.962 1.947 -18.108 222 HD12 ILE 26 HD12 ILE 26 -21.789 2.296 -16.590 223 HD13 ILE 26 HD13 ILE 26 -21.411 3.605 -17.709 224 H GLY 27 H GLY 27 -19.892 2.397 -13.553 225 HA2 GLY 27 HA2 GLY 27 -21.539 2.283 -11.784 226 HA3 GLY 27 HA3 GLY 27 -22.392 3.608 -12.563 227 H HIS 28 H HIS 28 -21.076 0.821 -14.250 228 HA HIS 28 HA HIS 28 -23.790 0.150 -15.121 229 HB2 HIS 28 HB2 HIS 28 -21.184 0.121 -16.370 230 HB3 HIS 28 HB3 HIS 28 -21.950 -1.459 -16.502 231 HD1 HIS 28 HD1 HIS 28 -22.322 -1.183 -19.037 232 HD2 HIS 28 HD2 HIS 28 -24.183 1.728 -16.729 233 HE1 HIS 28 HE1 HIS 28 -23.907 -0.003 -20.592 234 HA PRO 29 HA PRO 29 -24.029 -3.582 -12.827 235 HB2 PRO 29 HB2 PRO 29 -25.360 -5.202 -14.553 236 HB3 PRO 29 HB3 PRO 29 -26.134 -3.857 -13.706 237 HG2 PRO 29 HG2 PRO 29 -25.090 -3.982 -16.509 238 HG3 PRO 29 HG3 PRO 29 -26.600 -3.273 -15.908 239 HD2 PRO 29 HD2 PRO 29 -24.418 -1.778 -16.487 240 HD3 PRO 29 HD3 PRO 29 -25.559 -1.343 -15.198 241 H SER 30 H SER 30 -23.910 -6.151 -13.418 242 HA SER 30 HA SER 30 -21.365 -6.527 -14.857 243 HB2 SER 30 HB2 SER 30 -20.752 -8.240 -13.222 244 HB3 SER 30 HB3 SER 30 -21.064 -6.707 -12.408 245 HG SER 30 HG SER 30 -22.808 -7.525 -11.497 246 H HIS 31 H HIS 31 -24.263 -6.866 -15.621 247 HA HIS 31 HA HIS 31 -24.998 -9.540 -15.786 248 HB2 HIS 31 HB2 HIS 31 -26.265 -7.362 -16.485 249 HB3 HIS 31 HB3 HIS 31 -25.543 -7.664 -18.063 250 HD1 HIS 31 HD1 HIS 31 -27.160 -10.083 -15.606 251 HD2 HIS 31 HD2 HIS 31 -27.529 -8.765 -19.529 252 HE1 HIS 31 HE1 HIS 31 -28.990 -11.482 -16.616 253 H LYS 32 H LYS 32 -25.116 -10.817 -17.877 254 HA LYS 32 HA LYS 32 -22.581 -11.602 -18.674 255 HB2 LYS 32 HB2 LYS 32 -25.325 -12.021 -19.781 256 HB3 LYS 32 HB3 LYS 32 -23.940 -12.532 -20.738 257 HG2 LYS 32 HG2 LYS 32 -24.169 -13.377 -17.884 258 HG3 LYS 32 HG3 LYS 32 -25.096 -14.210 -19.135 259 HD2 LYS 32 HD2 LYS 32 -23.212 -15.048 -20.159 260 HD3 LYS 32 HD3 LYS 32 -22.177 -13.753 -19.552 261 HE2 LYS 32 HE2 LYS 32 -21.918 -14.750 -17.487 262 HE3 LYS 32 HE3 LYS 32 -23.417 -15.668 -17.627 263 HZ1 LYS 32 HZ1 LYS 32 -22.352 -17.066 -19.295 264 HZ2 LYS 32 HZ2 LYS 32 -21.501 -17.108 -17.834 265 HZ3 LYS 32 HZ3 LYS 32 -20.911 -16.196 -19.131 266 H GLN 33 H GLN 33 -21.479 -11.415 -20.706 267 HA GLN 33 HA GLN 33 -21.079 -8.828 -21.591 268 HB2 GLN 33 HB2 GLN 33 -20.478 -11.506 -22.800 269 HB3 GLN 33 HB3 GLN 33 -20.123 -10.033 -23.692 270 HG2 GLN 33 HG2 GLN 33 -18.707 -9.267 -21.847 271 HG3 GLN 33 HG3 GLN 33 -19.047 -10.762 -20.977 272 HE21 GLN 33 HE21 GLN 33 -16.757 -11.092 -20.967 273 HE22 GLN 33 HE22 GLN 33 -15.970 -11.748 -22.358 274 H THR 34 H THR 34 -21.522 -7.832 -23.662 275 HA THR 34 HA THR 34 -24.134 -8.653 -24.758 276 HB THR 34 HB THR 34 -24.081 -6.088 -25.483 277 HG1 THR 34 HG1 THR 34 -23.186 -4.900 -23.660 278 HG21 THR 34 HG21 THR 34 -25.123 -7.528 -23.143 279 HG22 THR 34 HG22 THR 34 -25.956 -6.488 -24.299 280 HG23 THR 34 HG23 THR 34 -25.055 -5.776 -22.961 281 HA PRO 35 HA PRO 35 -22.421 -8.936 -28.789 282 HB2 PRO 35 HB2 PRO 35 -24.410 -7.922 -30.333 283 HB3 PRO 35 HB3 PRO 35 -24.521 -9.496 -29.535 284 HG2 PRO 35 HG2 PRO 35 -25.665 -6.861 -28.693 285 HG3 PRO 35 HG3 PRO 35 -26.416 -8.467 -28.666 286 HD2 PRO 35 HD2 PRO 35 -25.370 -7.311 -26.453 287 HD3 PRO 35 HD3 PRO 35 -25.358 -9.067 -26.709 288 H ALA 36 H ALA 36 -23.609 -5.806 -27.753 289 HA ALA 36 HA ALA 36 -22.659 -4.231 -29.868 290 HB1 ALA 36 HB1 ALA 36 -24.151 -3.182 -28.410 291 HB2 ALA 36 HB2 ALA 36 -23.225 -3.645 -26.982 292 HB3 ALA 36 HB3 ALA 36 -22.604 -2.406 -28.071 293 H ASP 37 H ASP 37 -21.000 -5.823 -27.302 294 HA ASP 37 HA ASP 37 -18.721 -4.244 -27.023 295 HB2 ASP 37 HB2 ASP 37 -19.417 -6.314 -25.681 296 HB3 ASP 37 HB3 ASP 37 -18.664 -7.257 -26.964 297 H HIS 38 H HIS 38 -19.729 -6.274 -29.625 298 HA HIS 38 HA HIS 38 -17.357 -6.979 -30.845 299 HB2 HIS 38 HB2 HIS 38 -19.777 -7.508 -31.544 300 HB3 HIS 38 HB3 HIS 38 -19.718 -5.985 -32.427 301 HD1 HIS 38 HD1 HIS 38 -19.017 -9.495 -32.805 302 HD2 HIS 38 HD2 HIS 38 -17.475 -5.975 -34.382 303 HE1 HIS 38 HE1 HIS 38 -17.767 -10.178 -34.877 304 H ALA 39 H ALA 39 -19.260 -4.042 -31.550 305 HA ALA 39 HA ALA 39 -17.429 -2.830 -33.255 306 HB1 ALA 39 HB1 ALA 39 -18.998 -1.261 -33.363 307 HB2 ALA 39 HB2 ALA 39 -19.895 -2.162 -32.139 308 HB3 ALA 39 HB3 ALA 39 -18.802 -0.865 -31.655 309 H ALA 40 H ALA 40 -17.502 -2.990 -29.769 310 HA ALA 40 HA ALA 40 -15.651 -0.896 -29.268 311 HB1 ALA 40 HB1 ALA 40 -17.253 -2.542 -27.723 312 HB2 ALA 40 HB2 ALA 40 -15.609 -3.001 -27.276 313 HB3 ALA 40 HB3 ALA 40 -16.125 -1.321 -27.134 314 H ILE 41 H ILE 41 -15.319 -4.210 -30.225 315 HA ILE 41 HA ILE 41 -12.748 -4.800 -29.348 316 HB ILE 41 HB ILE 41 -14.036 -5.650 -31.945 317 HG12 ILE 41 HG12 ILE 41 -13.955 -7.054 -29.266 318 HG13 ILE 41 HG13 ILE 41 -15.347 -6.182 -29.897 319 HG21 ILE 41 HG21 ILE 41 -11.442 -6.199 -30.769 320 HG22 ILE 41 HG22 ILE 41 -12.366 -7.670 -31.065 321 HG23 ILE 41 HG23 ILE 41 -12.046 -6.550 -32.388 322 HD11 ILE 41 HD11 ILE 41 -14.222 -8.804 -30.704 323 HD12 ILE 41 HD12 ILE 41 -15.900 -8.308 -30.481 324 HD13 ILE 41 HD13 ILE 41 -15.020 -7.819 -31.929 325 H GLU 42 H GLU 42 -13.809 -2.664 -31.856 326 HA GLU 42 HA GLU 42 -11.624 -2.537 -33.536 327 HB2 GLU 42 HB2 GLU 42 -12.337 -0.317 -34.124 328 HB3 GLU 42 HB3 GLU 42 -13.765 -1.302 -33.841 329 HG2 GLU 42 HG2 GLU 42 -13.668 -0.323 -31.449 330 HG3 GLU 42 HG3 GLU 42 -12.633 0.904 -32.177 331 H ALA 43 H ALA 43 -12.035 -1.167 -30.332 332 HA ALA 43 HA ALA 43 -9.549 0.306 -30.452 333 HB1 ALA 43 HB1 ALA 43 -10.121 1.216 -28.407 334 HB2 ALA 43 HB2 ALA 43 -11.700 0.905 -29.128 335 HB3 ALA 43 HB3 ALA 43 -11.050 -0.201 -27.918 336 H LEU 44 H LEU 44 -10.712 -2.747 -29.193 337 HA LEU 44 HA LEU 44 -8.650 -3.385 -27.436 338 HB2 LEU 44 HB2 LEU 44 -10.242 -5.208 -29.232 339 HB3 LEU 44 HB3 LEU 44 -9.244 -5.742 -27.882 340 HG LEU 44 HG LEU 44 -11.767 -4.097 -27.738 341 HD11 LEU 44 HD11 LEU 44 -12.134 -6.247 -26.152 342 HD12 LEU 44 HD12 LEU 44 -11.100 -6.942 -27.399 343 HD13 LEU 44 HD13 LEU 44 -12.624 -6.174 -27.845 344 HD21 LEU 44 HD21 LEU 44 -9.774 -4.850 -25.613 345 HD22 LEU 44 HD22 LEU 44 -11.435 -4.380 -25.252 346 HD23 LEU 44 HD23 LEU 44 -10.349 -3.240 -26.047 347 H ASP 45 H ASP 45 -8.684 -3.260 -30.886 348 HA ASP 45 HA ASP 45 -6.459 -4.966 -31.365 349 HB2 ASP 45 HB2 ASP 45 -8.103 -4.373 -33.113 350 HB3 ASP 45 HB3 ASP 45 -7.532 -2.707 -33.069 351 H ARG 46 H ARG 46 -6.792 -1.694 -30.321 352 HA ARG 46 HA ARG 46 -4.235 -0.751 -31.123 353 HB2 ARG 46 HB2 ARG 46 -6.381 0.535 -30.296 354 HB3 ARG 46 HB3 ARG 46 -5.634 0.340 -28.716 355 HG2 ARG 46 HG2 ARG 46 -4.012 1.443 -30.956 356 HG3 ARG 46 HG3 ARG 46 -5.193 2.477 -30.149 357 HD2 ARG 46 HD2 ARG 46 -4.114 1.787 -27.970 358 HD3 ARG 46 HD3 ARG 46 -2.829 1.064 -28.936 359 HE ARG 46 HE ARG 46 -3.177 3.827 -28.357 360 HH11 ARG 46 HH11 ARG 46 -2.074 1.618 -30.812 361 HH12 ARG 46 HH12 ARG 46 -0.978 2.753 -31.526 362 HH21 ARG 46 HH21 ARG 46 -1.736 5.330 -29.288 363 HH22 ARG 46 HH22 ARG 46 -0.786 4.864 -30.657 364 H LEU 47 H LEU 47 -5.450 -1.627 -27.881 365 HA LEU 47 HA LEU 47 -3.027 -1.538 -26.543 366 HB2 LEU 47 HB2 LEU 47 -4.063 -2.690 -24.798 367 HB3 LEU 47 HB3 LEU 47 -5.372 -1.827 -25.603 368 HG LEU 47 HG LEU 47 -5.601 -4.162 -26.866 369 HD11 LEU 47 HD11 LEU 47 -3.674 -4.750 -24.930 370 HD12 LEU 47 HD12 LEU 47 -4.569 -5.890 -25.935 371 HD13 LEU 47 HD13 LEU 47 -5.176 -5.460 -24.337 372 HD21 LEU 47 HD21 LEU 47 -7.495 -4.507 -25.607 373 HD22 LEU 47 HD22 LEU 47 -7.174 -2.804 -25.281 374 HD23 LEU 47 HD23 LEU 47 -6.713 -4.030 -24.099 375 H LEU 48 H LEU 48 -4.419 -4.108 -28.491 376 HA LEU 48 HA LEU 48 -2.524 -6.103 -27.768 377 HB2 LEU 48 HB2 LEU 48 -4.293 -5.851 -30.196 378 HB3 LEU 48 HB3 LEU 48 -3.363 -7.287 -29.774 379 HG LEU 48 HG LEU 48 -5.414 -6.173 -27.891 380 HD11 LEU 48 HD11 LEU 48 -7.069 -7.661 -28.867 381 HD12 LEU 48 HD12 LEU 48 -5.928 -8.128 -30.128 382 HD13 LEU 48 HD13 LEU 48 -6.526 -6.471 -30.051 383 HD21 LEU 48 HD21 LEU 48 -4.171 -8.881 -28.339 384 HD22 LEU 48 HD22 LEU 48 -5.520 -8.583 -27.243 385 HD23 LEU 48 HD23 LEU 48 -3.958 -7.817 -26.949 386 H LEU 49 H LEU 49 -2.805 -3.900 -30.539 387 HA LEU 49 HA LEU 49 -0.553 -4.789 -31.944 388 HB2 LEU 49 HB2 LEU 49 -2.167 -3.372 -33.000 389 HB3 LEU 49 HB3 LEU 49 -1.876 -2.086 -31.831 390 HG LEU 49 HG LEU 49 0.446 -1.893 -32.766 391 HD11 LEU 49 HD11 LEU 49 1.212 -3.288 -34.314 392 HD12 LEU 49 HD12 LEU 49 -0.219 -3.060 -35.319 393 HD13 LEU 49 HD13 LEU 49 -0.225 -4.274 -34.039 394 HD21 LEU 49 HD21 LEU 49 -2.057 -1.255 -34.237 395 HD22 LEU 49 HD22 LEU 49 -0.515 -0.966 -35.045 396 HD23 LEU 49 HD23 LEU 49 -0.866 -0.178 -33.506 397 H ASP 50 H ASP 50 -0.889 -2.494 -29.304 398 HA ASP 50 HA ASP 50 1.790 -1.520 -29.438 399 HB2 ASP 50 HB2 ASP 50 -0.427 -1.336 -27.423 400 HB3 ASP 50 HB3 ASP 50 1.197 -0.800 -27.001 401 H VAL 51 H VAL 51 0.168 -3.633 -27.061 402 HA VAL 51 HA VAL 51 2.451 -4.382 -25.653 403 HB VAL 51 HB VAL 51 1.186 -6.244 -24.787 404 HG11 VAL 51 HG11 VAL 51 0.206 -3.558 -24.876 405 HG12 VAL 51 HG12 VAL 51 -1.155 -4.679 -24.788 406 HG13 VAL 51 HG13 VAL 51 0.115 -4.732 -23.564 407 HG21 VAL 51 HG21 VAL 51 -1.069 -6.768 -25.728 408 HG22 VAL 51 HG22 VAL 51 -0.678 -5.733 -27.102 409 HG23 VAL 51 HG23 VAL 51 0.276 -7.184 -26.791 410 H ARG 52 H ARG 52 1.241 -5.471 -28.718 411 HA ARG 52 HA ARG 52 2.932 -7.822 -28.779 412 HB2 ARG 52 HB2 ARG 52 0.719 -7.857 -29.855 413 HB3 ARG 52 HB3 ARG 52 1.229 -6.575 -30.944 414 HG2 ARG 52 HG2 ARG 52 2.711 -7.977 -32.087 415 HG3 ARG 52 HG3 ARG 52 2.686 -9.190 -30.806 416 HD2 ARG 52 HD2 ARG 52 1.332 -10.146 -32.419 417 HD3 ARG 52 HD3 ARG 52 0.161 -9.361 -31.360 418 HE ARG 52 HE ARG 52 0.712 -7.489 -33.264 419 HH11 ARG 52 HH11 ARG 52 -0.394 -10.790 -33.311 420 HH12 ARG 52 HH12 ARG 52 -1.311 -10.599 -34.769 421 HH21 ARG 52 HH21 ARG 52 -0.490 -7.225 -35.184 422 HH22 ARG 52 HH22 ARG 52 -1.364 -8.571 -35.834 423 H ALA 53 H ALA 53 2.897 -4.565 -30.092 424 HA ALA 53 HA ALA 53 5.335 -5.061 -31.616 425 HB1 ALA 53 HB1 ALA 53 3.829 -2.465 -31.379 426 HB2 ALA 53 HB2 ALA 53 4.995 -2.936 -32.617 427 HB3 ALA 53 HB3 ALA 53 3.418 -3.724 -32.545 428 H ARG 54 H ARG 54 5.026 -4.869 -28.555 429 HA ARG 54 HA ARG 54 6.175 -4.030 -26.774 430 HB2 ARG 54 HB2 ARG 54 8.310 -3.670 -28.885 431 HB3 ARG 54 HB3 ARG 54 8.582 -3.648 -27.148 432 HG2 ARG 54 HG2 ARG 54 8.349 -5.906 -26.939 433 HG3 ARG 54 HG3 ARG 54 7.264 -6.033 -28.324 434 HD2 ARG 54 HD2 ARG 54 9.324 -7.048 -28.945 435 HD3 ARG 54 HD3 ARG 54 9.225 -5.504 -29.791 436 HE ARG 54 HE ARG 54 10.607 -5.191 -27.347 437 HH11 ARG 54 HH11 ARG 54 10.978 -6.518 -30.545 438 HH12 ARG 54 HH12 ARG 54 12.699 -6.325 -30.567 439 HH21 ARG 54 HH21 ARG 54 12.874 -4.932 -27.365 440 HH22 ARG 54 HH22 ARG 54 13.777 -5.423 -28.757 441 H ARG 55 H ARG 55 4.440 -2.191 -27.553 442 HA ARG 55 HA ARG 55 5.958 0.335 -27.573 443 HB2 ARG 55 HB2 ARG 55 3.401 -0.451 -28.914 444 HB3 ARG 55 HB3 ARG 55 3.643 1.226 -28.443 445 HG2 ARG 55 HG2 ARG 55 5.869 1.042 -29.717 446 HG3 ARG 55 HG3 ARG 55 5.161 -0.404 -30.438 447 HD2 ARG 55 HD2 ARG 55 3.404 0.821 -31.418 448 HD3 ARG 55 HD3 ARG 55 3.733 2.238 -30.423 449 HE ARG 55 HE ARG 55 4.975 1.555 -32.902 450 HH11 ARG 55 HH11 ARG 55 5.476 3.159 -29.853 451 HH12 ARG 55 HH12 ARG 55 6.701 4.220 -30.464 452 HH21 ARG 55 HH21 ARG 55 6.587 2.947 -33.718 453 HH22 ARG 55 HH22 ARG 55 7.332 4.099 -32.663 454 H VAL 56 H VAL 56 5.073 -1.363 -25.298 455 HA VAL 56 HA VAL 56 3.387 0.635 -23.932 456 HB VAL 56 HB VAL 56 2.231 -1.546 -24.289 457 HG11 VAL 56 HG11 VAL 56 2.928 -3.512 -23.104 458 HG12 VAL 56 HG12 VAL 56 4.281 -2.944 -24.084 459 HG13 VAL 56 HG13 VAL 56 4.260 -2.639 -22.346 460 HG21 VAL 56 HG21 VAL 56 1.358 -1.714 -22.052 461 HG22 VAL 56 HG22 VAL 56 2.800 -0.944 -21.388 462 HG23 VAL 56 HG23 VAL 56 1.695 -0.019 -22.405 463 H ASP 57 H ASP 57 3.850 1.066 -21.744 464 HA ASP 57 HA ASP 57 6.371 -0.012 -20.701 465 HB2 ASP 57 HB2 ASP 57 6.467 2.362 -21.880 466 HB3 ASP 57 HB3 ASP 57 5.835 2.901 -20.327 467 H GLN 58 H GLN 58 6.667 0.997 -18.356 468 HA GLN 58 HA GLN 58 4.203 0.323 -16.942 469 HB2 GLN 58 HB2 GLN 58 5.559 -0.050 -15.015 470 HB3 GLN 58 HB3 GLN 58 6.386 -0.790 -16.380 471 HG2 GLN 58 HG2 GLN 58 7.905 1.085 -16.519 472 HG3 GLN 58 HG3 GLN 58 7.042 1.909 -15.221 473 HE21 GLN 58 HE21 GLN 58 8.495 -1.276 -15.826 474 HE22 GLN 58 HE22 GLN 58 9.292 -1.391 -14.298 475 H PHE 59 H PHE 59 3.183 1.669 -15.504 476 HA PHE 59 HA PHE 59 4.260 4.196 -14.717 477 HB2 PHE 59 HB2 PHE 59 3.356 4.388 -17.193 478 HB3 PHE 59 HB3 PHE 59 1.797 4.496 -16.383 479 HD1 PHE 59 HD1 PHE 59 1.304 6.374 -14.886 480 HD2 PHE 59 HD2 PHE 59 4.933 6.173 -17.100 481 HE1 PHE 59 HE1 PHE 59 1.683 8.770 -14.474 482 HE2 PHE 59 HE2 PHE 59 5.318 8.569 -16.692 483 HZ PHE 59 HZ PHE 59 3.693 9.870 -15.377 484 H GLN 60 H GLN 60 2.867 5.347 -13.254 485 HA GLN 60 HA GLN 60 0.413 4.025 -12.424 486 HB2 GLN 60 HB2 GLN 60 1.158 3.935 -10.050 487 HB3 GLN 60 HB3 GLN 60 2.031 2.831 -11.104 488 HG2 GLN 60 HG2 GLN 60 3.888 4.441 -11.214 489 HG3 GLN 60 HG3 GLN 60 3.017 5.489 -10.095 490 HE21 GLN 60 HE21 GLN 60 2.301 4.315 -8.044 491 HE22 GLN 60 HE22 GLN 60 3.489 3.305 -7.300 492 H ILE 61 H ILE 61 -1.064 5.421 -11.631 493 HA ILE 61 HA ILE 61 -0.386 8.238 -11.656 494 HB ILE 61 HB ILE 61 -2.817 8.592 -11.291 495 HG12 ILE 61 HG12 ILE 61 -3.039 5.590 -11.569 496 HG13 ILE 61 HG13 ILE 61 -3.151 6.438 -10.031 497 HG21 ILE 61 HG21 ILE 61 -2.271 6.679 -13.553 498 HG22 ILE 61 HG22 ILE 61 -3.490 7.952 -13.493 499 HG23 ILE 61 HG23 ILE 61 -1.778 8.373 -13.551 500 HD11 ILE 61 HD11 ILE 61 -5.178 5.952 -11.966 501 HD12 ILE 61 HD12 ILE 61 -5.314 6.704 -10.376 502 HD13 ILE 61 HD13 ILE 61 -4.954 7.692 -11.792 503 H ASN 62 H ASN 62 -1.010 5.735 -9.340 504 HA ASN 62 HA ASN 62 -0.066 7.296 -7.179 505 HB2 ASN 62 HB2 ASN 62 -2.564 8.043 -7.647 506 HB3 ASN 62 HB3 ASN 62 -2.933 6.579 -6.740 507 HD21 ASN 62 HD21 ASN 62 -1.526 9.751 -6.621 508 HD22 ASN 62 HD22 ASN 62 -1.447 9.873 -4.900 509 H ALA 63 H ALA 63 -0.636 6.090 -5.008 510 HA ALA 63 HA ALA 63 -0.540 3.191 -5.533 511 HB1 ALA 63 HB1 ALA 63 1.065 4.731 -3.496 512 HB2 ALA 63 HB2 ALA 63 1.043 2.975 -3.666 513 HB3 ALA 63 HB3 ALA 63 1.683 3.978 -4.967 514 H SER 64 H SER 64 -2.964 4.123 -5.094 515 HA SER 64 HA SER 64 -3.500 3.765 -2.222 516 HB2 SER 64 HB2 SER 64 -5.144 5.101 -4.382 517 HB3 SER 64 HB3 SER 64 -5.725 4.813 -2.742 518 HG SER 64 HG SER 64 -4.853 6.905 -2.955 519 H ALA 65 H ALA 65 -4.083 2.509 -5.399 520 HA ALA 65 HA ALA 65 -5.686 0.341 -4.209 521 HB1 ALA 65 HB1 ALA 65 -7.191 0.326 -5.948 522 HB2 ALA 65 HB2 ALA 65 -6.863 2.052 -5.793 523 HB3 ALA 65 HB3 ALA 65 -6.076 1.116 -7.064 524 H ALA 66 H ALA 66 -5.752 -1.576 -5.881 525 HA ALA 66 HA ALA 66 -3.216 -2.696 -5.999 526 HB1 ALA 66 HB1 ALA 66 -5.785 -3.561 -6.503 527 HB2 ALA 66 HB2 ALA 66 -4.978 -3.733 -8.063 528 HB3 ALA 66 HB3 ALA 66 -4.316 -4.528 -6.635 529 H GLN 67 H GLN 67 -1.601 -1.634 -7.019 530 HA GLN 67 HA GLN 67 -2.020 -0.515 -9.668 531 HB2 GLN 67 HB2 GLN 67 -0.563 0.412 -7.646 532 HB3 GLN 67 HB3 GLN 67 0.673 -0.589 -8.396 533 HG2 GLN 67 HG2 GLN 67 0.753 1.744 -9.148 534 HG3 GLN 67 HG3 GLN 67 0.457 0.614 -10.469 535 HE21 GLN 67 HE21 GLN 67 -0.833 1.530 -11.889 536 HE22 GLN 67 HE22 GLN 67 -2.256 2.442 -11.534 537 H ILE 68 H ILE 68 -0.322 -0.942 -11.354 538 HA ILE 68 HA ILE 68 0.719 -3.681 -11.258 539 HB ILE 68 HB ILE 68 -0.897 -2.578 -13.559 540 HG12 ILE 68 HG12 ILE 68 -2.222 -4.776 -12.896 541 HG13 ILE 68 HG13 ILE 68 -1.501 -4.462 -11.321 542 HG21 ILE 68 HG21 ILE 68 0.099 -4.082 -14.849 543 HG22 ILE 68 HG22 ILE 68 1.129 -4.557 -13.500 544 HG23 ILE 68 HG23 ILE 68 -0.414 -5.370 -13.758 545 HD11 ILE 68 HD11 ILE 68 -2.567 -2.023 -12.248 546 HD12 ILE 68 HD12 ILE 68 -3.787 -3.270 -12.512 547 HD13 ILE 68 HD13 ILE 68 -3.115 -3.019 -10.900 548 H ILE 69 H ILE 69 2.733 -3.841 -12.018 549 HA ILE 69 HA ILE 69 3.781 -1.610 -13.635 550 HB ILE 69 HB ILE 69 5.285 -3.296 -11.630 551 HG12 ILE 69 HG12 ILE 69 5.556 -0.841 -10.671 552 HG13 ILE 69 HG13 ILE 69 4.047 -0.578 -11.539 553 HG21 ILE 69 HG21 ILE 69 6.146 -1.519 -13.787 554 HG22 ILE 69 HG22 ILE 69 6.867 -1.153 -12.221 555 HG23 ILE 69 HG23 ILE 69 7.041 -2.764 -12.915 556 HD11 ILE 69 HD11 ILE 69 2.848 -1.858 -10.113 557 HD12 ILE 69 HD12 ILE 69 4.193 -2.950 -9.783 558 HD13 ILE 69 HD13 ILE 69 4.132 -1.367 -9.009 559 H VAL 70 H VAL 70 4.928 -2.075 -15.447 560 HA VAL 70 HA VAL 70 4.872 -4.847 -16.350 561 HB VAL 70 HB VAL 70 5.577 -2.324 -17.857 562 HG11 VAL 70 HG11 VAL 70 6.397 -3.646 -19.440 563 HG12 VAL 70 HG12 VAL 70 6.010 -5.079 -18.486 564 HG13 VAL 70 HG13 VAL 70 4.814 -4.406 -19.595 565 HG21 VAL 70 HG21 VAL 70 3.338 -3.009 -19.006 566 HG22 VAL 70 HG22 VAL 70 3.043 -3.866 -17.493 567 HG23 VAL 70 HG23 VAL 70 3.308 -2.122 -17.482 568 H THR 71 H THR 71 6.619 -6.104 -16.562 569 HA THR 71 HA THR 71 9.174 -5.084 -15.639 570 HB THR 71 HB THR 71 9.919 -7.455 -15.814 571 HG1 THR 71 HG1 THR 71 8.532 -8.997 -16.516 572 HG21 THR 71 HG21 THR 71 9.209 -7.044 -13.673 573 HG22 THR 71 HG22 THR 71 8.054 -8.295 -14.134 574 HG23 THR 71 HG23 THR 71 7.582 -6.597 -14.182 575 H ASP 72 H ASP 72 9.436 -3.675 -17.539 576 HA ASP 72 HA ASP 72 10.113 -5.053 -20.025 577 HB2 ASP 72 HB2 ASP 72 8.697 -2.938 -19.958 578 HB3 ASP 72 HB3 ASP 72 10.173 -2.077 -19.529 Start of MODEL 6 1 H1 MET 1 H MET 1 0.898 -2.176 0.262 2 HA MET 1 HA MET 1 2.159 -3.273 -1.470 3 HB2 MET 1 HB2 MET 1 2.631 -5.521 -0.415 4 HB3 MET 1 HB3 MET 1 2.823 -4.130 0.644 5 HG2 MET 1 HG2 MET 1 0.951 -4.643 1.883 6 HG3 MET 1 HG3 MET 1 0.231 -5.601 0.591 7 HE1 MET 1 HE1 MET 1 1.536 -5.454 3.745 8 HE2 MET 1 HE2 MET 1 2.027 -7.084 4.204 9 HE3 MET 1 HE3 MET 1 3.215 -5.957 3.546 10 H ASP 2 H ASP 2 -0.117 -3.084 -2.808 11 HA ASP 2 HA ASP 2 -0.795 -5.832 -3.625 12 HB2 ASP 2 HB2 ASP 2 -2.804 -4.558 -4.724 13 HB3 ASP 2 HB3 ASP 2 -2.834 -4.926 -3.001 14 H ARG 3 H ARG 3 1.518 -5.063 -4.640 15 HA ARG 3 HA ARG 3 1.136 -3.720 -7.184 16 HB2 ARG 3 HB2 ARG 3 3.610 -4.971 -5.975 17 HB3 ARG 3 HB3 ARG 3 3.568 -4.004 -7.444 18 HG2 ARG 3 HG2 ARG 3 2.681 -2.111 -6.059 19 HG3 ARG 3 HG3 ARG 3 3.015 -3.096 -4.633 20 HD2 ARG 3 HD2 ARG 3 5.359 -3.167 -5.167 21 HD3 ARG 3 HD3 ARG 3 5.074 -2.351 -6.704 22 HE ARG 3 HE ARG 3 4.992 -0.346 -5.592 23 HH11 ARG 3 HH11 ARG 3 4.786 -2.955 -3.295 24 HH12 ARG 3 HH12 ARG 3 4.957 -1.924 -1.913 25 HH21 ARG 3 HH21 ARG 3 5.217 1.021 -3.780 26 HH22 ARG 3 HH22 ARG 3 5.201 0.337 -2.190 27 H ILE 4 H ILE 4 1.416 -4.658 -9.205 28 HA ILE 4 HA ILE 4 1.463 -7.604 -9.254 29 HB ILE 4 HB ILE 4 -0.196 -5.796 -11.015 30 HG12 ILE 4 HG12 ILE 4 -1.267 -7.915 -9.180 31 HG13 ILE 4 HG13 ILE 4 -0.876 -6.320 -8.547 32 HG21 ILE 4 HG21 ILE 4 0.511 -7.630 -12.337 33 HG22 ILE 4 HG22 ILE 4 0.227 -8.774 -11.026 34 HG23 ILE 4 HG23 ILE 4 -1.137 -7.991 -11.824 35 HD11 ILE 4 HD11 ILE 4 -2.527 -6.330 -10.973 36 HD12 ILE 4 HD12 ILE 4 -3.281 -7.017 -9.533 37 HD13 ILE 4 HD13 ILE 4 -2.663 -5.365 -9.503 38 H PHE 5 H PHE 5 3.377 -8.148 -10.081 39 HA PHE 5 HA PHE 5 4.660 -6.493 -12.089 40 HB2 PHE 5 HB2 PHE 5 5.516 -8.999 -10.638 41 HB3 PHE 5 HB3 PHE 5 6.487 -8.240 -11.897 42 HD1 PHE 5 HD2 PHE 5 6.223 -5.411 -11.342 43 HD2 PHE 5 HD1 PHE 5 6.618 -8.679 -8.643 44 HE1 PHE 5 HE2 PHE 5 7.214 -3.905 -9.668 45 HE2 PHE 5 HE1 PHE 5 7.609 -7.177 -6.964 46 HZ PHE 5 HZ PHE 5 7.909 -4.787 -7.477 47 H MET 6 H MET 6 4.432 -6.782 -14.200 48 HA MET 6 HA MET 6 3.869 -9.472 -15.223 49 HB2 MET 6 HB2 MET 6 2.227 -7.008 -15.596 50 HB3 MET 6 HB3 MET 6 2.360 -8.135 -16.939 51 HG2 MET 6 HG2 MET 6 1.511 -9.930 -15.521 52 HG3 MET 6 HG3 MET 6 1.382 -8.802 -14.173 53 HE1 MET 6 HE1 MET 6 -1.332 -6.423 -15.030 54 HE2 MET 6 HE2 MET 6 -1.338 -7.673 -13.786 55 HE3 MET 6 HE3 MET 6 0.147 -6.791 -14.143 56 H THR 7 H THR 7 4.691 -9.913 -17.260 57 HA THR 7 HA THR 7 6.834 -8.155 -18.114 58 HB THR 7 HB THR 7 7.595 -9.939 -19.496 59 HG1 THR 7 HG1 THR 7 6.226 -11.865 -19.696 60 HG21 THR 7 HG21 THR 7 6.441 -11.156 -16.983 61 HG22 THR 7 HG22 THR 7 7.957 -10.260 -17.084 62 HG23 THR 7 HG23 THR 7 7.782 -11.798 -17.929 63 H ARG 8 H ARG 8 7.100 -8.302 -20.706 64 HA ARG 8 HA ARG 8 5.355 -6.471 -21.796 65 HB2 ARG 8 HB2 ARG 8 6.204 -7.272 -24.026 66 HB3 ARG 8 HB3 ARG 8 7.453 -6.854 -22.861 67 HG2 ARG 8 HG2 ARG 8 7.574 -9.316 -22.303 68 HG3 ARG 8 HG3 ARG 8 6.567 -9.589 -23.726 69 HD2 ARG 8 HD2 ARG 8 8.994 -7.903 -24.032 70 HD3 ARG 8 HD3 ARG 8 9.216 -9.641 -23.843 71 HE ARG 8 HE ARG 8 7.301 -9.373 -25.784 72 HH11 ARG 8 HH11 ARG 8 10.574 -8.274 -25.340 73 HH12 ARG 8 HH12 ARG 8 10.937 -8.260 -27.034 74 HH21 ARG 8 HH21 ARG 8 7.767 -9.360 -28.017 75 HH22 ARG 8 HH22 ARG 8 9.340 -8.878 -28.556 76 H THR 9 H THR 9 5.271 -10.007 -22.123 77 HA THR 9 HA THR 9 2.950 -10.059 -23.758 78 HB THR 9 HB THR 9 2.839 -12.503 -22.937 79 HG1 THR 9 HG1 THR 9 4.074 -12.711 -21.201 80 HG21 THR 9 HG21 THR 9 4.030 -12.983 -24.772 81 HG22 THR 9 HG22 THR 9 5.493 -12.256 -24.109 82 HG23 THR 9 HG23 THR 9 4.296 -11.246 -24.919 83 H GLU 10 H GLU 10 3.458 -10.632 -20.282 84 HA GLU 10 HA GLU 10 0.786 -11.173 -19.631 85 HB2 GLU 10 HB2 GLU 10 2.831 -9.857 -17.840 86 HB3 GLU 10 HB3 GLU 10 1.416 -10.770 -17.337 87 HG2 GLU 10 HG2 GLU 10 3.866 -11.834 -18.716 88 HG3 GLU 10 HG3 GLU 10 3.361 -12.130 -17.053 89 H ALA 11 H ALA 11 2.342 -8.240 -20.458 90 HA ALA 11 HA ALA 11 0.975 -6.294 -19.083 91 HB1 ALA 11 HB1 ALA 11 1.411 -5.926 -22.010 92 HB2 ALA 11 HB2 ALA 11 1.690 -4.803 -20.679 93 HB3 ALA 11 HB3 ALA 11 2.802 -6.145 -20.947 94 H LEU 12 H LEU 12 -0.180 -8.348 -21.660 95 HA LEU 12 HA LEU 12 -2.401 -6.985 -22.555 96 HB2 LEU 12 HB2 LEU 12 -2.240 -9.947 -22.019 97 HB3 LEU 12 HB3 LEU 12 -3.356 -9.142 -23.120 98 HG LEU 12 HG LEU 12 -0.437 -8.818 -23.599 99 HD11 LEU 12 HD11 LEU 12 -0.756 -11.229 -23.117 100 HD12 LEU 12 HD12 LEU 12 -0.278 -10.901 -24.783 101 HD13 LEU 12 HD13 LEU 12 -1.957 -11.292 -24.407 102 HD21 LEU 12 HD21 LEU 12 -2.248 -9.475 -25.790 103 HD22 LEU 12 HD22 LEU 12 -1.115 -8.134 -25.616 104 HD23 LEU 12 HD23 LEU 12 -2.722 -8.031 -24.894 105 H GLU 13 H GLU 13 -2.078 -8.991 -19.656 106 HA GLU 13 HA GLU 13 -4.795 -8.847 -18.879 107 HB2 GLU 13 HB2 GLU 13 -2.545 -10.189 -17.988 108 HB3 GLU 13 HB3 GLU 13 -2.901 -9.083 -16.669 109 HG2 GLU 13 HG2 GLU 13 -4.065 -11.018 -16.126 110 HG3 GLU 13 HG3 GLU 13 -5.293 -9.955 -16.812 111 H PHE 14 H PHE 14 -2.019 -6.785 -18.319 112 HA PHE 14 HA PHE 14 -3.155 -5.207 -16.260 113 HB2 PHE 14 HB2 PHE 14 -0.790 -5.138 -16.512 114 HB3 PHE 14 HB3 PHE 14 -0.912 -4.710 -18.215 115 HD1 PHE 14 HD2 PHE 14 -2.669 -3.266 -15.274 116 HD2 PHE 14 HD1 PHE 14 0.151 -2.663 -18.405 117 HE1 PHE 14 HE2 PHE 14 -2.524 -0.883 -14.681 118 HE2 PHE 14 HE1 PHE 14 0.301 -0.279 -17.816 119 HZ PHE 14 HZ PHE 14 -1.039 0.614 -15.952 120 H LEU 15 H LEU 15 -2.879 -4.705 -19.770 121 HA LEU 15 HA LEU 15 -4.326 -2.250 -19.750 122 HB2 LEU 15 HB2 LEU 15 -4.387 -2.542 -22.203 123 HB3 LEU 15 HB3 LEU 15 -2.770 -2.680 -21.516 124 HG LEU 15 HG LEU 15 -3.250 -5.241 -21.605 125 HD11 LEU 15 HD11 LEU 15 -4.651 -5.296 -23.965 126 HD12 LEU 15 HD12 LEU 15 -5.535 -4.106 -23.009 127 HD13 LEU 15 HD13 LEU 15 -5.283 -5.734 -22.378 128 HD21 LEU 15 HD21 LEU 15 -2.884 -4.363 -24.353 129 HD22 LEU 15 HD22 LEU 15 -1.777 -5.220 -23.280 130 HD23 LEU 15 HD23 LEU 15 -1.891 -3.461 -23.208 131 H LEU 16 H LEU 16 -5.201 -5.608 -19.989 132 HA LEU 16 HA LEU 16 -7.859 -5.114 -20.970 133 HB2 LEU 16 HB2 LEU 16 -6.624 -7.209 -21.414 134 HB3 LEU 16 HB3 LEU 16 -6.708 -7.593 -19.696 135 HG LEU 16 HG LEU 16 -9.245 -7.526 -19.979 136 HD11 LEU 16 HD11 LEU 16 -8.337 -7.166 -22.768 137 HD12 LEU 16 HD12 LEU 16 -9.810 -6.615 -21.971 138 HD13 LEU 16 HD13 LEU 16 -9.669 -8.290 -22.503 139 HD21 LEU 16 HD21 LEU 16 -7.377 -9.598 -21.019 140 HD22 LEU 16 HD22 LEU 16 -9.111 -9.829 -21.240 141 HD23 LEU 16 HD23 LEU 16 -8.446 -9.641 -19.616 142 H LYS 17 H LYS 17 -6.325 -5.562 -17.854 143 HA LYS 17 HA LYS 17 -8.861 -5.684 -16.452 144 HB2 LYS 17 HB2 LYS 17 -7.613 -6.097 -14.497 145 HB3 LYS 17 HB3 LYS 17 -6.746 -6.941 -15.773 146 HG2 LYS 17 HG2 LYS 17 -5.189 -5.023 -15.923 147 HG3 LYS 17 HG3 LYS 17 -6.020 -4.288 -14.550 148 HD2 LYS 17 HD2 LYS 17 -4.620 -6.962 -14.542 149 HD3 LYS 17 HD3 LYS 17 -3.993 -5.466 -13.846 150 HE2 LYS 17 HE2 LYS 17 -5.867 -5.396 -12.288 151 HE3 LYS 17 HE3 LYS 17 -6.530 -6.865 -13.002 152 HZ1 LYS 17 HZ1 LYS 17 -5.162 -8.125 -11.809 153 HZ2 LYS 17 HZ2 LYS 17 -4.822 -6.749 -10.888 154 HZ3 LYS 17 HZ3 LYS 17 -3.809 -7.177 -12.173 155 H ALA 18 H ALA 18 -6.430 -3.341 -17.273 156 HA ALA 18 HA ALA 18 -6.833 -1.364 -15.388 157 HB1 ALA 18 HB1 ALA 18 -5.188 -0.624 -16.711 158 HB2 ALA 18 HB2 ALA 18 -5.809 -1.482 -18.121 159 HB3 ALA 18 HB3 ALA 18 -6.479 0.088 -17.678 160 H HIS 19 H HIS 19 -8.778 -2.162 -18.214 161 HA HIS 19 HA HIS 19 -10.510 0.114 -17.927 162 HB2 HIS 19 HB2 HIS 19 -9.968 -1.295 -20.063 163 HB3 HIS 19 HB3 HIS 19 -11.255 -2.345 -19.476 164 HD1 HIS 19 HD1 HIS 19 -11.058 1.455 -19.651 165 HD2 HIS 19 HD2 HIS 19 -13.423 -1.703 -20.953 166 HE1 HIS 19 HE1 HIS 19 -13.010 2.518 -20.827 167 H GLN 20 H GLN 20 -10.645 -3.314 -17.087 168 HA GLN 20 HA GLN 20 -13.297 -3.500 -16.294 169 HB2 GLN 20 HB2 GLN 20 -11.550 -5.353 -16.476 170 HB3 GLN 20 HB3 GLN 20 -11.039 -4.886 -14.860 171 HG2 GLN 20 HG2 GLN 20 -13.853 -5.691 -15.542 172 HG3 GLN 20 HG3 GLN 20 -12.622 -6.818 -14.974 173 HE21 GLN 20 HE21 GLN 20 -11.434 -5.884 -12.948 174 HE22 GLN 20 HE22 GLN 20 -12.486 -5.327 -11.696 175 H THR 21 H THR 21 -10.467 -2.472 -14.424 176 HA THR 21 HA THR 21 -11.867 -2.098 -11.985 177 HB THR 21 HB THR 21 -9.329 -0.676 -12.788 178 HG1 THR 21 HG1 THR 21 -8.231 -2.510 -12.114 179 HG21 THR 21 HG21 THR 21 -9.354 0.066 -10.689 180 HG22 THR 21 HG22 THR 21 -9.361 -1.597 -10.101 181 HG23 THR 21 HG23 THR 21 -10.885 -0.763 -10.407 182 H ALA 22 H ALA 22 -10.844 0.146 -14.544 183 HA ALA 22 HA ALA 22 -11.719 2.521 -13.396 184 HB1 ALA 22 HB1 ALA 22 -10.737 3.232 -15.256 185 HB2 ALA 22 HB2 ALA 22 -10.863 1.636 -15.995 186 HB3 ALA 22 HB3 ALA 22 -12.196 2.782 -16.139 187 H VAL 23 H VAL 23 -13.477 0.439 -15.701 188 HA VAL 23 HA VAL 23 -15.861 1.834 -15.795 189 HB VAL 23 HB VAL 23 -15.519 -1.168 -15.881 190 HG11 VAL 23 HG11 VAL 23 -17.802 0.648 -16.553 191 HG12 VAL 23 HG12 VAL 23 -17.606 -0.896 -17.385 192 HG13 VAL 23 HG13 VAL 23 -17.805 -0.857 -15.633 193 HG21 VAL 23 HG21 VAL 23 -14.569 0.830 -17.626 194 HG22 VAL 23 HG22 VAL 23 -14.573 -0.915 -17.876 195 HG23 VAL 23 HG23 VAL 23 -15.935 0.058 -18.431 196 H ASP 24 H ASP 24 -14.664 -0.347 -13.331 197 HA ASP 24 HA ASP 24 -17.100 -0.725 -11.946 198 HB2 ASP 24 HB2 ASP 24 -15.004 -2.106 -11.685 199 HB3 ASP 24 HB3 ASP 24 -14.329 -0.779 -10.744 200 H LYS 25 H LYS 25 -14.603 1.739 -11.791 201 HA LYS 25 HA LYS 25 -15.581 2.989 -9.420 202 HB2 LYS 25 HB2 LYS 25 -13.557 3.627 -11.505 203 HB3 LYS 25 HB3 LYS 25 -14.173 4.964 -10.543 204 HG2 LYS 25 HG2 LYS 25 -12.243 4.245 -9.435 205 HG3 LYS 25 HG3 LYS 25 -13.582 3.571 -8.503 206 HD2 LYS 25 HD2 LYS 25 -13.292 1.438 -9.758 207 HD3 LYS 25 HD3 LYS 25 -11.857 2.131 -10.516 208 HE2 LYS 25 HE2 LYS 25 -12.256 1.773 -7.548 209 HE3 LYS 25 HE3 LYS 25 -11.323 0.693 -8.582 210 HZ1 LYS 25 HZ1 LYS 25 -9.709 2.311 -8.940 211 HZ2 LYS 25 HZ2 LYS 25 -10.069 2.474 -7.296 212 HZ3 LYS 25 HZ3 LYS 25 -10.701 3.576 -8.413 213 H ILE 26 H ILE 26 -16.340 3.211 -12.799 214 HA ILE 26 HA ILE 26 -17.607 5.746 -12.763 215 HB ILE 26 HB ILE 26 -18.146 3.424 -14.619 216 HG12 ILE 26 HG12 ILE 26 -16.247 5.754 -14.968 217 HG13 ILE 26 HG13 ILE 26 -15.755 4.122 -14.529 218 HG21 ILE 26 HG21 ILE 26 -19.903 4.989 -14.843 219 HG22 ILE 26 HG22 ILE 26 -18.793 6.356 -14.770 220 HG23 ILE 26 HG23 ILE 26 -18.799 5.300 -16.182 221 HD11 ILE 26 HD11 ILE 26 -17.277 3.775 -16.811 222 HD12 ILE 26 HD12 ILE 26 -16.345 5.240 -17.122 223 HD13 ILE 26 HD13 ILE 26 -15.517 3.742 -16.696 224 H GLY 27 H GLY 27 -18.588 2.595 -11.740 225 HA2 GLY 27 HA2 GLY 27 -20.423 2.179 -10.328 226 HA3 GLY 27 HA3 GLY 27 -21.132 3.705 -10.836 227 H HIS 28 H HIS 28 -19.918 1.474 -13.203 228 HA HIS 28 HA HIS 28 -22.427 1.338 -14.527 229 HB2 HIS 28 HB2 HIS 28 -19.730 0.136 -14.933 230 HB3 HIS 28 HB3 HIS 28 -21.094 -0.608 -15.760 231 HD1 HIS 28 HD1 HIS 28 -20.757 3.109 -15.243 232 HD2 HIS 28 HD2 HIS 28 -20.463 0.297 -18.287 233 HE1 HIS 28 HE1 HIS 28 -20.580 4.437 -17.371 234 HA PRO 29 HA PRO 29 -24.366 -2.148 -12.700 235 HB2 PRO 29 HB2 PRO 29 -25.558 -3.307 -14.847 236 HB3 PRO 29 HB3 PRO 29 -26.122 -1.788 -14.138 237 HG2 PRO 29 HG2 PRO 29 -24.407 -2.231 -16.552 238 HG3 PRO 29 HG3 PRO 29 -25.756 -1.102 -16.330 239 HD2 PRO 29 HD2 PRO 29 -23.167 -0.327 -16.171 240 HD3 PRO 29 HD3 PRO 29 -24.452 0.433 -15.210 241 H SER 30 H SER 30 -24.540 -4.542 -12.786 242 HA SER 30 HA SER 30 -22.082 -5.721 -13.904 243 HB2 SER 30 HB2 SER 30 -22.077 -7.283 -12.057 244 HB3 SER 30 HB3 SER 30 -22.212 -5.649 -11.407 245 HG SER 30 HG SER 30 -24.540 -6.063 -11.366 246 H HIS 31 H HIS 31 -24.853 -5.431 -15.064 247 HA HIS 31 HA HIS 31 -26.197 -7.874 -15.115 248 HB2 HIS 31 HB2 HIS 31 -26.828 -5.535 -16.109 249 HB3 HIS 31 HB3 HIS 31 -26.054 -6.153 -17.565 250 HD1 HIS 31 HD1 HIS 31 -27.874 -6.814 -19.100 251 HD2 HIS 31 HD2 HIS 31 -28.657 -7.970 -15.187 252 HE1 HIS 31 HE1 HIS 31 -30.023 -8.116 -19.201 253 H LYS 32 H LYS 32 -26.375 -9.337 -17.038 254 HA LYS 32 HA LYS 32 -23.944 -10.627 -17.524 255 HB2 LYS 32 HB2 LYS 32 -26.335 -11.543 -17.718 256 HB3 LYS 32 HB3 LYS 32 -26.339 -10.853 -19.336 257 HG2 LYS 32 HG2 LYS 32 -24.287 -12.209 -19.818 258 HG3 LYS 32 HG3 LYS 32 -24.540 -13.012 -18.266 259 HD2 LYS 32 HD2 LYS 32 -26.658 -13.868 -18.978 260 HD3 LYS 32 HD3 LYS 32 -26.615 -12.896 -20.451 261 HE2 LYS 32 HE2 LYS 32 -24.877 -14.197 -21.375 262 HE3 LYS 32 HE3 LYS 32 -24.525 -14.966 -19.828 263 HZ1 LYS 32 HZ1 LYS 32 -26.701 -16.051 -19.941 264 HZ2 LYS 32 HZ2 LYS 32 -25.723 -16.472 -21.255 265 HZ3 LYS 32 HZ3 LYS 32 -26.977 -15.355 -21.458 266 H GLN 33 H GLN 33 -22.765 -10.907 -19.498 267 HA GLN 33 HA GLN 33 -22.040 -8.526 -20.756 268 HB2 GLN 33 HB2 GLN 33 -20.818 -9.968 -22.363 269 HB3 GLN 33 HB3 GLN 33 -20.526 -10.406 -20.685 270 HG2 GLN 33 HG2 GLN 33 -20.894 -12.483 -21.439 271 HG3 GLN 33 HG3 GLN 33 -22.587 -12.038 -21.237 272 HE21 GLN 33 HE21 GLN 33 -20.112 -11.338 -23.684 273 HE22 GLN 33 HE22 GLN 33 -21.053 -11.864 -25.033 274 H THR 34 H THR 34 -22.221 -7.940 -23.025 275 HA THR 34 HA THR 34 -24.800 -8.776 -24.184 276 HB THR 34 HB THR 34 -24.478 -6.397 -25.355 277 HG1 THR 34 HG1 THR 34 -23.750 -5.045 -23.409 278 HG21 THR 34 HG21 THR 34 -26.255 -7.400 -23.652 279 HG22 THR 34 HG22 THR 34 -26.225 -5.686 -24.064 280 HG23 THR 34 HG23 THR 34 -25.487 -6.245 -22.564 281 HA PRO 35 HA PRO 35 -22.794 -9.918 -27.917 282 HB2 PRO 35 HB2 PRO 35 -24.569 -9.094 -29.799 283 HB3 PRO 35 HB3 PRO 35 -24.864 -10.479 -28.741 284 HG2 PRO 35 HG2 PRO 35 -25.866 -7.668 -28.505 285 HG3 PRO 35 HG3 PRO 35 -26.739 -9.191 -28.256 286 HD2 PRO 35 HD2 PRO 35 -25.788 -7.705 -26.202 287 HD3 PRO 35 HD3 PRO 35 -25.891 -9.475 -26.131 288 H ALA 36 H ALA 36 -23.596 -6.602 -27.367 289 HA ALA 36 HA ALA 36 -22.303 -5.566 -29.712 290 HB1 ALA 36 HB1 ALA 36 -23.780 -4.489 -27.439 291 HB2 ALA 36 HB2 ALA 36 -22.438 -3.466 -27.956 292 HB3 ALA 36 HB3 ALA 36 -23.693 -3.924 -29.107 293 H ASP 37 H ASP 37 -21.331 -6.462 -26.514 294 HA ASP 37 HA ASP 37 -19.062 -4.917 -26.128 295 HB2 ASP 37 HB2 ASP 37 -19.811 -7.697 -25.278 296 HB3 ASP 37 HB3 ASP 37 -18.215 -7.054 -24.899 297 H HIS 38 H HIS 38 -19.594 -7.578 -28.294 298 HA HIS 38 HA HIS 38 -17.028 -8.469 -28.794 299 HB2 HIS 38 HB2 HIS 38 -18.960 -9.546 -29.787 300 HB3 HIS 38 HB3 HIS 38 -19.318 -8.107 -30.737 301 HD1 HIS 38 HD1 HIS 38 -17.936 -7.717 -32.864 302 HD2 HIS 38 HD2 HIS 38 -16.834 -11.121 -30.751 303 HE1 HIS 38 HE1 HIS 38 -16.425 -9.007 -34.407 304 H ALA 39 H ALA 39 -18.645 -5.580 -29.991 305 HA ALA 39 HA ALA 39 -16.878 -4.796 -31.978 306 HB1 ALA 39 HB1 ALA 39 -17.877 -2.715 -31.896 307 HB2 ALA 39 HB2 ALA 39 -19.115 -3.746 -31.176 308 HB3 ALA 39 HB3 ALA 39 -18.076 -2.763 -30.144 309 H ALA 40 H ALA 40 -16.504 -4.731 -28.525 310 HA ALA 40 HA ALA 40 -14.556 -2.807 -28.161 311 HB1 ALA 40 HB1 ALA 40 -14.056 -3.833 -26.123 312 HB2 ALA 40 HB2 ALA 40 -15.736 -4.278 -26.428 313 HB3 ALA 40 HB3 ALA 40 -14.446 -5.442 -26.731 314 H ILE 41 H ILE 41 -14.273 -6.006 -29.544 315 HA ILE 41 HA ILE 41 -11.509 -6.364 -29.394 316 HB ILE 41 HB ILE 41 -13.345 -7.267 -31.615 317 HG12 ILE 41 HG12 ILE 41 -12.490 -8.762 -29.130 318 HG13 ILE 41 HG13 ILE 41 -14.039 -7.943 -29.301 319 HG21 ILE 41 HG21 ILE 41 -11.384 -7.852 -32.544 320 HG22 ILE 41 HG22 ILE 41 -10.506 -7.717 -31.022 321 HG23 ILE 41 HG23 ILE 41 -11.433 -9.175 -31.379 322 HD11 ILE 41 HD11 ILE 41 -13.131 -10.508 -30.374 323 HD12 ILE 41 HD12 ILE 41 -14.755 -9.948 -29.975 324 HD13 ILE 41 HD13 ILE 41 -14.022 -9.503 -31.516 325 H GLU 42 H GLU 42 -13.468 -4.524 -31.658 326 HA GLU 42 HA GLU 42 -11.627 -4.062 -33.676 327 HB2 GLU 42 HB2 GLU 42 -13.892 -3.354 -33.965 328 HB3 GLU 42 HB3 GLU 42 -13.804 -2.294 -32.565 329 HG2 GLU 42 HG2 GLU 42 -12.568 -0.697 -33.682 330 HG3 GLU 42 HG3 GLU 42 -11.994 -1.841 -34.893 331 H ALA 43 H ALA 43 -12.295 -1.898 -30.916 332 HA ALA 43 HA ALA 43 -10.070 -0.221 -31.396 333 HB1 ALA 43 HB1 ALA 43 -11.552 -0.620 -28.801 334 HB2 ALA 43 HB2 ALA 43 -10.556 0.765 -29.250 335 HB3 ALA 43 HB3 ALA 43 -12.067 0.452 -30.104 336 H LEU 44 H LEU 44 -10.474 -3.193 -29.620 337 HA LEU 44 HA LEU 44 -8.231 -3.080 -27.954 338 HB2 LEU 44 HB2 LEU 44 -9.841 -5.286 -29.151 339 HB3 LEU 44 HB3 LEU 44 -8.335 -5.675 -28.323 340 HG LEU 44 HG LEU 44 -10.704 -4.264 -27.097 341 HD11 LEU 44 HD11 LEU 44 -11.544 -6.284 -26.748 342 HD12 LEU 44 HD12 LEU 44 -10.110 -6.696 -25.810 343 HD13 LEU 44 HD13 LEU 44 -10.158 -7.033 -27.540 344 HD21 LEU 44 HD21 LEU 44 -7.944 -4.842 -26.161 345 HD22 LEU 44 HD22 LEU 44 -9.266 -5.004 -25.003 346 HD23 LEU 44 HD23 LEU 44 -8.992 -3.465 -25.820 347 H ASP 45 H ASP 45 -8.512 -3.641 -31.360 348 HA ASP 45 HA ASP 45 -6.206 -5.038 -31.950 349 HB2 ASP 45 HB2 ASP 45 -7.771 -4.546 -33.696 350 HB3 ASP 45 HB3 ASP 45 -7.566 -2.811 -33.470 351 H ARG 46 H ARG 46 -6.591 -1.648 -31.122 352 HA ARG 46 HA ARG 46 -4.033 -0.749 -31.856 353 HB2 ARG 46 HB2 ARG 46 -6.145 0.574 -31.098 354 HB3 ARG 46 HB3 ARG 46 -5.493 0.355 -29.479 355 HG2 ARG 46 HG2 ARG 46 -3.531 1.575 -30.008 356 HG3 ARG 46 HG3 ARG 46 -3.921 1.578 -31.729 357 HD2 ARG 46 HD2 ARG 46 -5.597 2.904 -29.604 358 HD3 ARG 46 HD3 ARG 46 -4.379 3.737 -30.569 359 HE ARG 46 HE ARG 46 -6.208 2.407 -32.258 360 HH11 ARG 46 HH11 ARG 46 -5.962 5.161 -30.144 361 HH12 ARG 46 HH12 ARG 46 -7.159 6.083 -30.992 362 HH21 ARG 46 HH21 ARG 46 -7.785 3.611 -33.383 363 HH22 ARG 46 HH22 ARG 46 -8.196 5.200 -32.834 364 H LEU 47 H LEU 47 -5.259 -1.890 -28.714 365 HA LEU 47 HA LEU 47 -2.863 -1.634 -27.292 366 HB2 LEU 47 HB2 LEU 47 -4.894 -3.787 -26.787 367 HB3 LEU 47 HB3 LEU 47 -3.849 -2.976 -25.622 368 HG LEU 47 HG LEU 47 -6.258 -1.816 -27.017 369 HD11 LEU 47 HD11 LEU 47 -5.776 -2.206 -24.076 370 HD12 LEU 47 HD12 LEU 47 -6.583 -3.407 -25.084 371 HD13 LEU 47 HD13 LEU 47 -7.286 -1.802 -24.893 372 HD21 LEU 47 HD21 LEU 47 -4.593 -0.090 -26.843 373 HD22 LEU 47 HD22 LEU 47 -4.262 -0.520 -25.165 374 HD23 LEU 47 HD23 LEU 47 -5.821 0.178 -25.606 375 H LEU 48 H LEU 48 -4.264 -4.550 -28.794 376 HA LEU 48 HA LEU 48 -2.211 -6.320 -28.265 377 HB2 LEU 48 HB2 LEU 48 -3.827 -6.230 -30.806 378 HB3 LEU 48 HB3 LEU 48 -3.018 -7.635 -30.116 379 HG LEU 48 HG LEU 48 -5.370 -6.198 -28.886 380 HD11 LEU 48 HD11 LEU 48 -5.578 -8.981 -29.846 381 HD12 LEU 48 HD12 LEU 48 -5.508 -7.726 -31.082 382 HD13 LEU 48 HD13 LEU 48 -6.771 -7.682 -29.852 383 HD21 LEU 48 HD21 LEU 48 -5.434 -8.144 -27.383 384 HD22 LEU 48 HD22 LEU 48 -3.947 -7.212 -27.208 385 HD23 LEU 48 HD23 LEU 48 -3.935 -8.733 -28.102 386 H LEU 49 H LEU 49 -2.640 -4.434 -31.265 387 HA LEU 49 HA LEU 49 -0.297 -5.142 -32.538 388 HB2 LEU 49 HB2 LEU 49 -2.232 -3.714 -33.381 389 HB3 LEU 49 HB3 LEU 49 -1.413 -2.354 -32.616 390 HG LEU 49 HG LEU 49 0.024 -4.044 -34.627 391 HD11 LEU 49 HD11 LEU 49 -2.021 -1.915 -35.161 392 HD12 LEU 49 HD12 LEU 49 -1.880 -3.519 -35.880 393 HD13 LEU 49 HD13 LEU 49 -0.716 -2.261 -36.296 394 HD21 LEU 49 HD21 LEU 49 1.422 -2.526 -33.479 395 HD22 LEU 49 HD22 LEU 49 0.242 -1.222 -33.608 396 HD23 LEU 49 HD23 LEU 49 1.092 -1.789 -35.047 397 H ASP 50 H ASP 50 -0.823 -2.511 -30.217 398 HA ASP 50 HA ASP 50 1.698 -1.348 -30.299 399 HB2 ASP 50 HB2 ASP 50 -0.482 -1.499 -28.279 400 HB3 ASP 50 HB3 ASP 50 1.098 -0.953 -27.723 401 H VAL 51 H VAL 51 0.545 -3.813 -27.991 402 HA VAL 51 HA VAL 51 2.961 -4.258 -26.691 403 HB VAL 51 HB VAL 51 0.791 -6.291 -27.229 404 HG11 VAL 51 HG11 VAL 51 3.151 -6.243 -25.390 405 HG12 VAL 51 HG12 VAL 51 1.699 -7.149 -24.961 406 HG13 VAL 51 HG13 VAL 51 2.578 -7.539 -26.440 407 HG21 VAL 51 HG21 VAL 51 0.655 -5.320 -24.597 408 HG22 VAL 51 HG22 VAL 51 0.812 -3.904 -25.636 409 HG23 VAL 51 HG23 VAL 51 -0.498 -5.055 -25.905 410 H ARG 52 H ARG 52 1.722 -5.608 -29.695 411 HA ARG 52 HA ARG 52 3.791 -7.552 -29.991 412 HB2 ARG 52 HB2 ARG 52 1.539 -7.690 -31.078 413 HB3 ARG 52 HB3 ARG 52 2.023 -6.372 -32.138 414 HG2 ARG 52 HG2 ARG 52 2.279 -8.473 -33.281 415 HG3 ARG 52 HG3 ARG 52 3.868 -7.763 -32.986 416 HD2 ARG 52 HD2 ARG 52 4.289 -9.256 -31.183 417 HD3 ARG 52 HD3 ARG 52 2.618 -9.821 -31.180 418 HE ARG 52 HE ARG 52 4.745 -10.732 -32.868 419 HH11 ARG 52 HH11 ARG 52 1.297 -10.325 -32.620 420 HH12 ARG 52 HH12 ARG 52 0.935 -11.587 -33.751 421 HH21 ARG 52 HH21 ARG 52 4.283 -12.395 -34.359 422 HH22 ARG 52 HH22 ARG 52 2.635 -12.764 -34.739 423 H ALA 53 H ALA 53 3.444 -4.192 -30.784 424 HA ALA 53 HA ALA 53 5.828 -4.228 -32.476 425 HB1 ALA 53 HB1 ALA 53 4.050 -1.892 -31.792 426 HB2 ALA 53 HB2 ALA 53 5.278 -1.964 -33.057 427 HB3 ALA 53 HB3 ALA 53 3.821 -2.949 -33.186 428 H ARG 54 H ARG 54 5.862 -4.691 -29.528 429 HA ARG 54 HA ARG 54 7.111 -4.129 -27.711 430 HB2 ARG 54 HB2 ARG 54 8.746 -2.715 -29.824 431 HB3 ARG 54 HB3 ARG 54 9.276 -2.994 -28.171 432 HG2 ARG 54 HG2 ARG 54 9.297 -5.356 -28.497 433 HG3 ARG 54 HG3 ARG 54 8.524 -5.196 -30.075 434 HD2 ARG 54 HD2 ARG 54 10.441 -4.419 -31.085 435 HD3 ARG 54 HD3 ARG 54 11.110 -3.799 -29.576 436 HE ARG 54 HE ARG 54 11.466 -6.415 -30.667 437 HH11 ARG 54 HH11 ARG 54 11.293 -4.599 -27.703 438 HH12 ARG 54 HH12 ARG 54 12.256 -5.724 -26.804 439 HH21 ARG 54 HH21 ARG 54 12.735 -7.904 -29.496 440 HH22 ARG 54 HH22 ARG 54 13.077 -7.604 -27.825 441 H ARG 55 H ARG 55 4.905 -2.655 -27.775 442 HA ARG 55 HA ARG 55 5.803 0.079 -27.138 443 HB2 ARG 55 HB2 ARG 55 3.063 -0.781 -28.084 444 HB3 ARG 55 HB3 ARG 55 3.572 0.866 -27.737 445 HG2 ARG 55 HG2 ARG 55 5.005 -0.757 -29.797 446 HG3 ARG 55 HG3 ARG 55 3.488 0.057 -30.184 447 HD2 ARG 55 HD2 ARG 55 5.617 1.623 -28.822 448 HD3 ARG 55 HD3 ARG 55 5.836 1.232 -30.528 449 HE ARG 55 HE ARG 55 3.314 2.237 -30.407 450 HH11 ARG 55 HH11 ARG 55 6.439 3.383 -29.387 451 HH12 ARG 55 HH12 ARG 55 6.044 5.055 -29.610 452 HH21 ARG 55 HH21 ARG 55 2.782 4.435 -30.706 453 HH22 ARG 55 HH22 ARG 55 3.963 5.652 -30.360 454 H VAL 56 H VAL 56 5.650 -2.347 -25.426 455 HA VAL 56 HA VAL 56 3.467 -1.758 -23.596 456 HB VAL 56 HB VAL 56 4.005 -4.101 -24.025 457 HG11 VAL 56 HG11 VAL 56 6.621 -3.292 -24.019 458 HG12 VAL 56 HG12 VAL 56 6.485 -4.151 -22.484 459 HG13 VAL 56 HG13 VAL 56 6.069 -4.966 -23.992 460 HG21 VAL 56 HG21 VAL 56 4.157 -4.864 -21.706 461 HG22 VAL 56 HG22 VAL 56 4.682 -3.256 -21.207 462 HG23 VAL 56 HG23 VAL 56 3.060 -3.492 -21.857 463 H ASP 57 H ASP 57 3.713 -1.047 -21.485 464 HA ASP 57 HA ASP 57 6.315 -0.460 -20.401 465 HB2 ASP 57 HB2 ASP 57 5.492 1.466 -22.043 466 HB3 ASP 57 HB3 ASP 57 4.580 1.955 -20.617 467 H GLN 58 H GLN 58 5.923 1.001 -18.315 468 HA GLN 58 HA GLN 58 3.859 -0.412 -16.808 469 HB2 GLN 58 HB2 GLN 58 5.037 0.527 -14.817 470 HB3 GLN 58 HB3 GLN 58 6.049 -0.495 -15.829 471 HG2 GLN 58 HG2 GLN 58 7.185 1.374 -16.736 472 HG3 GLN 58 HG3 GLN 58 6.026 2.501 -16.034 473 HE21 GLN 58 HE21 GLN 58 8.047 -0.184 -14.880 474 HE22 GLN 58 HE22 GLN 58 8.693 0.664 -13.521 475 H PHE 59 H PHE 59 2.507 0.738 -15.284 476 HA PHE 59 HA PHE 59 2.243 3.548 -15.280 477 HB2 PHE 59 HB2 PHE 59 1.387 2.795 -17.627 478 HB3 PHE 59 HB3 PHE 59 -0.037 2.258 -16.743 479 HD1 PHE 59 HD2 PHE 59 1.953 5.165 -17.757 480 HD2 PHE 59 HD1 PHE 59 -1.586 3.825 -15.809 481 HE1 PHE 59 HE2 PHE 59 1.053 7.454 -17.825 482 HE2 PHE 59 HE1 PHE 59 -2.492 6.112 -15.875 483 HZ PHE 59 HZ PHE 59 -1.172 7.930 -16.883 484 H GLN 60 H GLN 60 0.941 4.212 -13.636 485 HA GLN 60 HA GLN 60 -0.568 2.109 -12.229 486 HB2 GLN 60 HB2 GLN 60 -0.180 3.591 -10.186 487 HB3 GLN 60 HB3 GLN 60 1.209 2.710 -10.809 488 HG2 GLN 60 HG2 GLN 60 2.024 4.702 -11.909 489 HG3 GLN 60 HG3 GLN 60 0.596 5.598 -11.392 490 HE21 GLN 60 HE21 GLN 60 0.286 4.994 -8.828 491 HE22 GLN 60 HE22 GLN 60 1.667 5.452 -7.897 492 H ILE 61 H ILE 61 -2.689 2.391 -12.047 493 HA ILE 61 HA ILE 61 -3.970 4.693 -13.131 494 HB ILE 61 HB ILE 61 -5.199 2.489 -11.472 495 HG12 ILE 61 HG12 ILE 61 -3.994 1.627 -13.453 496 HG13 ILE 61 HG13 ILE 61 -5.735 1.404 -13.588 497 HG21 ILE 61 HG21 ILE 61 -6.259 4.870 -12.729 498 HG22 ILE 61 HG22 ILE 61 -7.035 3.409 -13.337 499 HG23 ILE 61 HG23 ILE 61 -7.029 3.749 -11.606 500 HD11 ILE 61 HD11 ILE 61 -4.236 3.675 -14.863 501 HD12 ILE 61 HD12 ILE 61 -4.616 2.157 -15.675 502 HD13 ILE 61 HD13 ILE 61 -5.917 3.213 -15.125 503 H ASN 62 H ASN 62 -3.815 3.364 -9.826 504 HA ASN 62 HA ASN 62 -3.899 6.059 -8.746 505 HB2 ASN 62 HB2 ASN 62 -6.076 4.027 -8.316 506 HB3 ASN 62 HB3 ASN 62 -5.739 5.264 -7.109 507 HD21 ASN 62 HD21 ASN 62 -7.588 4.520 -9.713 508 HD22 ASN 62 HD22 ASN 62 -8.038 6.111 -10.214 509 H ALA 63 H ALA 63 -3.963 5.801 -6.186 510 HA ALA 63 HA ALA 63 -1.709 4.069 -5.562 511 HB1 ALA 63 HB1 ALA 63 -1.353 6.208 -4.730 512 HB2 ALA 63 HB2 ALA 63 -3.018 6.376 -4.172 513 HB3 ALA 63 HB3 ALA 63 -1.902 5.315 -3.312 514 H SER 64 H SER 64 -5.102 4.453 -4.754 515 HA SER 64 HA SER 64 -5.009 2.413 -2.702 516 HB2 SER 64 HB2 SER 64 -6.586 4.535 -2.905 517 HB3 SER 64 HB3 SER 64 -7.589 3.416 -3.826 518 HG SER 64 HG SER 64 -7.221 1.976 -1.904 519 H ALA 65 H ALA 65 -6.123 2.750 -6.027 520 HA ALA 65 HA ALA 65 -7.383 0.205 -6.182 521 HB1 ALA 65 HB1 ALA 65 -7.473 0.591 -8.569 522 HB2 ALA 65 HB2 ALA 65 -7.910 2.066 -7.706 523 HB3 ALA 65 HB3 ALA 65 -6.308 1.908 -8.427 524 H ALA 66 H ALA 66 -6.580 -1.337 -8.031 525 HA ALA 66 HA ALA 66 -4.281 -2.627 -7.121 526 HB1 ALA 66 HB1 ALA 66 -4.808 -4.229 -8.608 527 HB2 ALA 66 HB2 ALA 66 -6.290 -3.293 -8.805 528 HB3 ALA 66 HB3 ALA 66 -4.959 -3.086 -9.944 529 H GLN 67 H GLN 67 -2.348 -1.643 -7.089 530 HA GLN 67 HA GLN 67 -1.499 0.112 -9.213 531 HB2 GLN 67 HB2 GLN 67 -0.415 -0.741 -6.575 532 HB3 GLN 67 HB3 GLN 67 0.726 -0.137 -7.769 533 HG2 GLN 67 HG2 GLN 67 -0.979 1.833 -7.965 534 HG3 GLN 67 HG3 GLN 67 -1.480 1.284 -6.366 535 HE21 GLN 67 HE21 GLN 67 1.101 2.657 -8.252 536 HE22 GLN 67 HE22 GLN 67 2.060 3.194 -6.919 537 H ILE 68 H ILE 68 -1.476 -1.286 -11.017 538 HA ILE 68 HA ILE 68 0.325 -3.566 -10.991 539 HB ILE 68 HB ILE 68 -1.337 -2.434 -13.245 540 HG12 ILE 68 HG12 ILE 68 -2.222 -4.994 -12.421 541 HG13 ILE 68 HG13 ILE 68 -2.023 -4.033 -10.961 542 HG21 ILE 68 HG21 ILE 68 0.574 -3.660 -14.088 543 HG22 ILE 68 HG22 ILE 68 0.195 -5.022 -13.035 544 HG23 ILE 68 HG23 ILE 68 -0.901 -4.591 -14.348 545 HD11 ILE 68 HD11 ILE 68 -3.701 -3.332 -13.356 546 HD12 ILE 68 HD12 ILE 68 -4.276 -3.836 -11.766 547 HD13 ILE 68 HD13 ILE 68 -3.450 -2.290 -11.956 548 H ILE 69 H ILE 69 2.343 -3.587 -11.766 549 HA ILE 69 HA ILE 69 3.236 -1.348 -13.447 550 HB ILE 69 HB ILE 69 4.765 -2.461 -11.092 551 HG12 ILE 69 HG12 ILE 69 4.571 0.134 -10.540 552 HG13 ILE 69 HG13 ILE 69 3.119 -0.011 -11.524 553 HG21 ILE 69 HG21 ILE 69 5.509 -0.298 -13.057 554 HG22 ILE 69 HG22 ILE 69 6.434 -0.750 -11.626 555 HG23 ILE 69 HG23 ILE 69 6.237 -1.900 -12.948 556 HD11 ILE 69 HD11 ILE 69 3.510 -0.706 -8.798 557 HD12 ILE 69 HD12 ILE 69 2.033 -0.769 -9.760 558 HD13 ILE 69 HD13 ILE 69 3.110 -2.165 -9.704 559 H VAL 70 H VAL 70 4.716 -1.848 -15.017 560 HA VAL 70 HA VAL 70 5.126 -4.700 -15.505 561 HB VAL 70 HB VAL 70 5.626 -2.328 -17.309 562 HG11 VAL 70 HG11 VAL 70 6.775 -3.700 -18.622 563 HG12 VAL 70 HG12 VAL 70 6.553 -5.015 -17.466 564 HG13 VAL 70 HG13 VAL 70 5.366 -4.753 -18.745 565 HG21 VAL 70 HG21 VAL 70 3.366 -4.312 -17.150 566 HG22 VAL 70 HG22 VAL 70 3.282 -2.560 -16.967 567 HG23 VAL 70 HG23 VAL 70 3.647 -3.265 -18.542 568 H THR 71 H THR 71 6.955 -5.618 -14.882 569 HA THR 71 HA THR 71 9.378 -3.957 -14.672 570 HB THR 71 HB THR 71 8.888 -4.856 -12.531 571 HG1 THR 71 HG1 THR 71 10.704 -6.234 -12.221 572 HG21 THR 71 HG21 THR 71 8.819 -7.496 -12.414 573 HG22 THR 71 HG22 THR 71 8.221 -7.322 -14.064 574 HG23 THR 71 HG23 THR 71 7.361 -6.556 -12.728 575 H ASP 72 H ASP 72 9.610 -4.283 -17.026 576 HA ASP 72 HA ASP 72 10.183 -6.906 -18.027 577 HB2 ASP 72 HB2 ASP 72 9.311 -5.372 -19.610 578 HB3 ASP 72 HB3 ASP 72 10.486 -4.134 -19.173 Start of MODEL 7 1 H1 MET 1 H MET 1 1.181 0.746 -0.874 2 HA MET 1 HA MET 1 1.033 1.354 -3.745 3 HB2 MET 1 HB2 MET 1 3.369 1.040 -1.866 4 HB3 MET 1 HB3 MET 1 3.562 1.093 -3.613 5 HG2 MET 1 HG2 MET 1 2.043 3.275 -2.286 6 HG3 MET 1 HG3 MET 1 3.798 3.250 -2.135 7 HE1 MET 1 HE1 MET 1 2.436 5.956 -4.269 8 HE2 MET 1 HE2 MET 1 3.410 5.498 -2.872 9 HE3 MET 1 HE3 MET 1 4.186 5.799 -4.428 10 H ASP 2 H ASP 2 -0.292 -0.687 -3.835 11 HA ASP 2 HA ASP 2 1.095 -3.184 -3.486 12 HB2 ASP 2 HB2 ASP 2 -1.583 -2.491 -4.703 13 HB3 ASP 2 HB3 ASP 2 -0.971 -4.138 -4.575 14 H ARG 3 H ARG 3 2.877 -2.246 -4.946 15 HA ARG 3 HA ARG 3 2.480 -2.078 -7.735 16 HB2 ARG 3 HB2 ARG 3 4.983 -2.377 -7.838 17 HB3 ARG 3 HB3 ARG 3 4.425 -1.057 -6.819 18 HG2 ARG 3 HG2 ARG 3 4.944 -2.200 -4.850 19 HG3 ARG 3 HG3 ARG 3 5.047 -3.756 -5.678 20 HD2 ARG 3 HD2 ARG 3 7.267 -2.974 -5.130 21 HD3 ARG 3 HD3 ARG 3 7.043 -2.953 -6.879 22 HE ARG 3 HE ARG 3 6.398 -0.435 -6.173 23 HH11 ARG 3 HH11 ARG 3 9.133 -2.464 -5.446 24 HH12 ARG 3 HH12 ARG 3 10.243 -1.141 -5.309 25 HH21 ARG 3 HH21 ARG 3 7.851 1.314 -5.997 26 HH22 ARG 3 HH22 ARG 3 9.513 1.008 -5.622 27 H ILE 4 H ILE 4 2.809 -3.552 -9.377 28 HA ILE 4 HA ILE 4 3.352 -6.334 -8.624 29 HB ILE 4 HB ILE 4 1.039 -5.475 -10.367 30 HG12 ILE 4 HG12 ILE 4 0.944 -6.963 -7.742 31 HG13 ILE 4 HG13 ILE 4 0.800 -5.212 -7.849 32 HG21 ILE 4 HG21 ILE 4 1.450 -7.462 -11.339 33 HG22 ILE 4 HG22 ILE 4 2.432 -8.034 -9.992 34 HG23 ILE 4 HG23 ILE 4 0.673 -8.115 -9.897 35 HD11 ILE 4 HD11 ILE 4 -1.267 -5.312 -8.844 36 HD12 ILE 4 HD12 ILE 4 -1.008 -6.942 -9.466 37 HD13 ILE 4 HD13 ILE 4 -1.325 -6.693 -7.749 38 H PHE 5 H PHE 5 5.064 -6.932 -9.763 39 HA PHE 5 HA PHE 5 5.872 -5.614 -12.160 40 HB2 PHE 5 HB2 PHE 5 7.701 -7.241 -12.200 41 HB3 PHE 5 HB3 PHE 5 7.502 -6.567 -10.585 42 HD1 PHE 5 HD1 PHE 5 7.086 -9.548 -12.674 43 HD2 PHE 5 HD2 PHE 5 6.775 -7.930 -8.749 44 HE1 PHE 5 HE1 PHE 5 6.906 -11.823 -11.755 45 HE2 PHE 5 HE2 PHE 5 6.595 -10.202 -7.824 46 HZ PHE 5 HZ PHE 5 6.662 -12.152 -9.326 47 H MET 6 H MET 6 6.210 -6.648 -14.235 48 HA MET 6 HA MET 6 5.108 -9.125 -14.954 49 HB2 MET 6 HB2 MET 6 3.119 -8.312 -16.229 50 HB3 MET 6 HB3 MET 6 2.948 -8.192 -14.483 51 HG2 MET 6 HG2 MET 6 2.145 -6.158 -15.083 52 HG3 MET 6 HG3 MET 6 3.851 -5.756 -14.905 53 HE1 MET 6 HE1 MET 6 0.910 -5.094 -17.467 54 HE2 MET 6 HE2 MET 6 1.713 -4.163 -16.203 55 HE3 MET 6 HE3 MET 6 2.028 -3.800 -17.901 56 H THR 7 H THR 7 5.525 -9.641 -17.091 57 HA THR 7 HA THR 7 7.231 -7.732 -18.495 58 HB THR 7 HB THR 7 8.054 -9.554 -19.783 59 HG1 THR 7 HG1 THR 7 6.835 -11.224 -20.230 60 HG21 THR 7 HG21 THR 7 7.612 -10.826 -17.097 61 HG22 THR 7 HG22 THR 7 8.653 -9.415 -17.287 62 HG23 THR 7 HG23 THR 7 9.030 -10.912 -18.141 63 H ARG 8 H ARG 8 7.060 -8.208 -21.053 64 HA ARG 8 HA ARG 8 4.841 -6.858 -21.974 65 HB2 ARG 8 HB2 ARG 8 6.560 -8.857 -23.454 66 HB3 ARG 8 HB3 ARG 8 5.433 -7.747 -24.221 67 HG2 ARG 8 HG2 ARG 8 6.708 -5.855 -23.521 68 HG3 ARG 8 HG3 ARG 8 7.747 -6.866 -22.515 69 HD2 ARG 8 HD2 ARG 8 7.524 -7.382 -25.453 70 HD3 ARG 8 HD3 ARG 8 8.575 -6.099 -24.855 71 HE ARG 8 HE ARG 8 9.045 -8.918 -24.713 72 HH11 ARG 8 HH11 ARG 8 9.678 -5.864 -23.165 73 HH12 ARG 8 HH12 ARG 8 11.151 -6.397 -22.424 74 HH21 ARG 8 HH21 ARG 8 10.982 -9.631 -23.743 75 HH22 ARG 8 HH22 ARG 8 11.892 -8.540 -22.754 76 H THR 9 H THR 9 5.365 -10.370 -21.878 77 HA THR 9 HA THR 9 2.864 -11.050 -23.025 78 HB THR 9 HB THR 9 3.326 -13.322 -21.936 79 HG1 THR 9 HG1 THR 9 5.649 -13.447 -21.328 80 HG21 THR 9 HG21 THR 9 4.862 -11.934 -24.037 81 HG22 THR 9 HG22 THR 9 3.954 -13.445 -24.105 82 HG23 THR 9 HG23 THR 9 5.580 -13.423 -23.424 83 H GLU 10 H GLU 10 4.010 -11.017 -19.653 84 HA GLU 10 HA GLU 10 1.607 -11.845 -18.473 85 HB2 GLU 10 HB2 GLU 10 3.617 -9.975 -17.219 86 HB3 GLU 10 HB3 GLU 10 2.520 -11.075 -16.396 87 HG2 GLU 10 HG2 GLU 10 4.876 -11.828 -18.108 88 HG3 GLU 10 HG3 GLU 10 4.753 -11.964 -16.355 89 H ALA 11 H ALA 11 2.483 -8.869 -19.911 90 HA ALA 11 HA ALA 11 1.067 -6.952 -18.563 91 HB1 ALA 11 HB1 ALA 11 1.213 -5.651 -20.449 92 HB2 ALA 11 HB2 ALA 11 2.461 -6.854 -20.778 93 HB3 ALA 11 HB3 ALA 11 0.876 -6.997 -21.538 94 H LEU 12 H LEU 12 -0.177 -9.492 -20.636 95 HA LEU 12 HA LEU 12 -2.739 -8.603 -21.140 96 HB2 LEU 12 HB2 LEU 12 -3.379 -10.926 -21.353 97 HB3 LEU 12 HB3 LEU 12 -1.793 -10.653 -22.072 98 HG LEU 12 HG LEU 12 -1.034 -11.486 -19.638 99 HD11 LEU 12 HD11 LEU 12 -3.368 -13.279 -20.117 100 HD12 LEU 12 HD12 LEU 12 -3.589 -11.791 -19.197 101 HD13 LEU 12 HD13 LEU 12 -2.439 -13.007 -18.643 102 HD21 LEU 12 HD21 LEU 12 -1.619 -13.822 -21.182 103 HD22 LEU 12 HD22 LEU 12 -0.071 -13.016 -20.924 104 HD23 LEU 12 HD23 LEU 12 -1.116 -12.516 -22.256 105 H GLU 13 H GLU 13 -1.492 -10.205 -18.242 106 HA GLU 13 HA GLU 13 -3.938 -10.508 -16.900 107 HB2 GLU 13 HB2 GLU 13 -1.108 -10.232 -15.898 108 HB3 GLU 13 HB3 GLU 13 -2.468 -10.508 -14.818 109 HG2 GLU 13 HG2 GLU 13 -1.500 -12.319 -17.015 110 HG3 GLU 13 HG3 GLU 13 -1.398 -12.597 -15.277 111 H PHE 14 H PHE 14 -1.629 -7.836 -16.984 112 HA PHE 14 HA PHE 14 -2.876 -6.260 -14.998 113 HB2 PHE 14 HB2 PHE 14 -0.613 -5.763 -15.587 114 HB3 PHE 14 HB3 PHE 14 -1.036 -5.549 -17.283 115 HD1 PHE 14 HD2 PHE 14 -2.674 -4.200 -14.229 116 HD2 PHE 14 HD1 PHE 14 -0.490 -3.358 -17.784 117 HE1 PHE 14 HE2 PHE 14 -2.980 -1.790 -13.842 118 HE2 PHE 14 HE1 PHE 14 -0.792 -0.946 -17.402 119 HZ PHE 14 HZ PHE 14 -2.040 -0.159 -15.430 120 H LEU 15 H LEU 15 -3.193 -6.356 -18.523 121 HA LEU 15 HA LEU 15 -4.923 -4.162 -18.795 122 HB2 LEU 15 HB2 LEU 15 -4.766 -6.643 -20.500 123 HB3 LEU 15 HB3 LEU 15 -5.505 -5.112 -20.965 124 HG LEU 15 HG LEU 15 -2.572 -5.462 -20.358 125 HD11 LEU 15 HD11 LEU 15 -3.155 -6.769 -22.314 126 HD12 LEU 15 HD12 LEU 15 -2.252 -5.330 -22.788 127 HD13 LEU 15 HD13 LEU 15 -4.000 -5.387 -23.012 128 HD21 LEU 15 HD21 LEU 15 -2.947 -3.219 -20.080 129 HD22 LEU 15 HD22 LEU 15 -4.300 -3.191 -21.211 130 HD23 LEU 15 HD23 LEU 15 -2.645 -3.280 -21.817 131 H LEU 16 H LEU 16 -5.610 -7.627 -18.422 132 HA LEU 16 HA LEU 16 -8.446 -7.274 -18.447 133 HB2 LEU 16 HB2 LEU 16 -6.996 -9.379 -18.961 134 HB3 LEU 16 HB3 LEU 16 -7.099 -9.643 -17.222 135 HG LEU 16 HG LEU 16 -9.652 -9.483 -17.574 136 HD11 LEU 16 HD11 LEU 16 -8.986 -10.388 -20.347 137 HD12 LEU 16 HD12 LEU 16 -9.231 -8.678 -19.992 138 HD13 LEU 16 HD13 LEU 16 -10.527 -9.836 -19.690 139 HD21 LEU 16 HD21 LEU 16 -9.058 -11.571 -16.931 140 HD22 LEU 16 HD22 LEU 16 -7.787 -11.707 -18.147 141 HD23 LEU 16 HD23 LEU 16 -9.475 -11.945 -18.604 142 H LYS 17 H LYS 17 -5.977 -7.123 -16.033 143 HA LYS 17 HA LYS 17 -7.607 -7.591 -13.755 144 HB2 LYS 17 HB2 LYS 17 -5.243 -7.825 -13.515 145 HB3 LYS 17 HB3 LYS 17 -4.955 -6.198 -14.116 146 HG2 LYS 17 HG2 LYS 17 -5.981 -5.260 -12.122 147 HG3 LYS 17 HG3 LYS 17 -6.325 -6.884 -11.522 148 HD2 LYS 17 HD2 LYS 17 -3.517 -6.284 -12.254 149 HD3 LYS 17 HD3 LYS 17 -4.151 -5.502 -10.804 150 HE2 LYS 17 HE2 LYS 17 -4.370 -8.462 -11.311 151 HE3 LYS 17 HE3 LYS 17 -3.013 -7.730 -10.456 152 HZ1 LYS 17 HZ1 LYS 17 -4.366 -7.083 -8.703 153 HZ2 LYS 17 HZ2 LYS 17 -4.958 -8.620 -9.089 154 HZ3 LYS 17 HZ3 LYS 17 -5.794 -7.240 -9.596 155 H ALA 18 H ALA 18 -6.310 -4.565 -15.130 156 HA ALA 18 HA ALA 18 -7.580 -2.774 -13.448 157 HB1 ALA 18 HB1 ALA 18 -7.044 -2.354 -16.385 158 HB2 ALA 18 HB2 ALA 18 -7.235 -1.106 -15.153 159 HB3 ALA 18 HB3 ALA 18 -5.841 -2.185 -15.106 160 H HIS 19 H HIS 19 -8.856 -4.536 -16.188 161 HA HIS 19 HA HIS 19 -11.214 -3.036 -16.570 162 HB2 HIS 19 HB2 HIS 19 -10.306 -5.783 -17.311 163 HB3 HIS 19 HB3 HIS 19 -12.017 -5.396 -17.466 164 HD1 HIS 19 HD1 HIS 19 -11.883 -2.566 -18.575 165 HD2 HIS 19 HD2 HIS 19 -9.428 -5.655 -19.874 166 HE1 HIS 19 HE1 HIS 19 -11.138 -1.906 -20.884 167 H GLN 20 H GLN 20 -10.615 -6.019 -14.722 168 HA GLN 20 HA GLN 20 -13.187 -6.428 -13.765 169 HB2 GLN 20 HB2 GLN 20 -11.321 -8.037 -13.526 170 HB3 GLN 20 HB3 GLN 20 -10.597 -6.991 -12.312 171 HG2 GLN 20 HG2 GLN 20 -12.302 -7.415 -10.766 172 HG3 GLN 20 HG3 GLN 20 -13.366 -8.092 -11.998 173 HE21 GLN 20 HE21 GLN 20 -13.358 -9.717 -10.121 174 HE22 GLN 20 HE22 GLN 20 -12.234 -11.020 -10.269 175 H THR 21 H THR 21 -10.558 -4.512 -12.345 176 HA THR 21 HA THR 21 -12.024 -3.709 -10.052 177 HB THR 21 HB THR 21 -10.230 -1.786 -10.101 178 HG1 THR 21 HG1 THR 21 -8.846 -1.922 -11.689 179 HG21 THR 21 HG21 THR 21 -8.498 -3.547 -9.324 180 HG22 THR 21 HG22 THR 21 -9.799 -4.709 -9.584 181 HG23 THR 21 HG23 THR 21 -10.009 -3.393 -8.429 182 H ALA 22 H ALA 22 -11.514 -2.282 -13.238 183 HA ALA 22 HA ALA 22 -12.628 0.240 -12.752 184 HB1 ALA 22 HB1 ALA 22 -12.835 0.454 -15.136 185 HB2 ALA 22 HB2 ALA 22 -11.329 -0.388 -14.771 186 HB3 ALA 22 HB3 ALA 22 -12.729 -1.294 -15.345 187 H VAL 23 H VAL 23 -14.179 -2.604 -14.255 188 HA VAL 23 HA VAL 23 -16.748 -1.576 -14.447 189 HB VAL 23 HB VAL 23 -15.966 -4.448 -13.925 190 HG11 VAL 23 HG11 VAL 23 -18.529 -3.186 -14.864 191 HG12 VAL 23 HG12 VAL 23 -18.145 -4.885 -15.149 192 HG13 VAL 23 HG13 VAL 23 -18.280 -4.275 -13.499 193 HG21 VAL 23 HG21 VAL 23 -16.558 -4.339 -16.547 194 HG22 VAL 23 HG22 VAL 23 -15.894 -2.721 -16.317 195 HG23 VAL 23 HG23 VAL 23 -14.926 -4.138 -15.908 196 H ASP 24 H ASP 24 -15.062 -2.887 -11.688 197 HA ASP 24 HA ASP 24 -17.351 -3.260 -10.036 198 HB2 ASP 24 HB2 ASP 24 -15.373 -4.467 -9.466 199 HB3 ASP 24 HB3 ASP 24 -14.408 -2.994 -9.422 200 H LYS 25 H LYS 25 -15.005 -0.639 -10.428 201 HA LYS 25 HA LYS 25 -15.819 1.012 -8.348 202 HB2 LYS 25 HB2 LYS 25 -13.823 1.301 -9.897 203 HB3 LYS 25 HB3 LYS 25 -14.938 2.014 -11.054 204 HG2 LYS 25 HG2 LYS 25 -15.514 3.745 -9.412 205 HG3 LYS 25 HG3 LYS 25 -14.354 3.041 -8.284 206 HD2 LYS 25 HD2 LYS 25 -12.656 3.353 -10.215 207 HD3 LYS 25 HD3 LYS 25 -13.852 4.475 -10.867 208 HE2 LYS 25 HE2 LYS 25 -12.289 5.734 -9.570 209 HE3 LYS 25 HE3 LYS 25 -13.809 5.674 -8.679 210 HZ1 LYS 25 HZ1 LYS 25 -11.262 4.828 -7.850 211 HZ2 LYS 25 HZ2 LYS 25 -12.283 3.481 -7.889 212 HZ3 LYS 25 HZ3 LYS 25 -12.707 4.836 -6.970 213 H ILE 26 H ILE 26 -17.206 0.549 -11.541 214 HA ILE 26 HA ILE 26 -19.040 2.744 -11.328 215 HB ILE 26 HB ILE 26 -19.237 0.385 -13.197 216 HG12 ILE 26 HG12 ILE 26 -17.008 1.437 -13.349 217 HG13 ILE 26 HG13 ILE 26 -17.959 1.704 -14.806 218 HG21 ILE 26 HG21 ILE 26 -20.354 3.180 -13.267 219 HG22 ILE 26 HG22 ILE 26 -20.374 2.080 -14.645 220 HG23 ILE 26 HG23 ILE 26 -21.249 1.664 -13.172 221 HD11 ILE 26 HD11 ILE 26 -17.563 3.866 -14.610 222 HD12 ILE 26 HD12 ILE 26 -18.480 3.875 -13.103 223 HD13 ILE 26 HD13 ILE 26 -16.737 3.609 -13.074 224 H GLY 27 H GLY 27 -19.011 -0.564 -10.331 225 HA2 GLY 27 HA2 GLY 27 -20.505 -1.757 -9.053 226 HA3 GLY 27 HA3 GLY 27 -21.392 -0.259 -8.812 227 H HIS 28 H HIS 28 -20.806 -1.292 -12.050 228 HA HIS 28 HA HIS 28 -23.542 -2.360 -12.233 229 HB2 HIS 28 HB2 HIS 28 -22.266 -0.164 -13.807 230 HB3 HIS 28 HB3 HIS 28 -23.410 -1.226 -14.622 231 HD1 HIS 28 HD1 HIS 28 -23.506 0.437 -11.192 232 HD2 HIS 28 HD2 HIS 28 -25.773 0.072 -14.655 233 HE1 HIS 28 HE1 HIS 28 -25.636 1.694 -10.737 234 HA PRO 29 HA PRO 29 -21.865 -5.711 -14.514 235 HB2 PRO 29 HB2 PRO 29 -23.860 -6.232 -16.280 236 HB3 PRO 29 HB3 PRO 29 -23.983 -6.601 -14.556 237 HG2 PRO 29 HG2 PRO 29 -25.076 -4.265 -16.076 238 HG3 PRO 29 HG3 PRO 29 -25.851 -5.240 -14.814 239 HD2 PRO 29 HD2 PRO 29 -24.757 -2.813 -14.316 240 HD3 PRO 29 HD3 PRO 29 -24.775 -4.118 -13.112 241 H SER 30 H SER 30 -20.738 -6.210 -16.370 242 HA SER 30 HA SER 30 -20.759 -4.168 -18.496 243 HB2 SER 30 HB2 SER 30 -18.702 -4.038 -17.157 244 HB3 SER 30 HB3 SER 30 -18.385 -5.745 -17.469 245 HG SER 30 HG SER 30 -17.354 -4.024 -18.864 246 H HIS 31 H HIS 31 -22.146 -6.827 -18.169 247 HA HIS 31 HA HIS 31 -21.134 -8.069 -20.642 248 HB2 HIS 31 HB2 HIS 31 -22.115 -10.216 -19.742 249 HB3 HIS 31 HB3 HIS 31 -20.703 -9.616 -18.876 250 HD1 HIS 31 HD1 HIS 31 -24.230 -10.532 -18.423 251 HD2 HIS 31 HD2 HIS 31 -21.324 -8.438 -16.318 252 HE1 HIS 31 HE1 HIS 31 -25.110 -10.338 -16.075 253 H LYS 32 H LYS 32 -22.481 -7.314 -22.169 254 HA LYS 32 HA LYS 32 -25.295 -8.030 -21.958 255 HB2 LYS 32 HB2 LYS 32 -25.907 -5.720 -22.864 256 HB3 LYS 32 HB3 LYS 32 -25.491 -5.825 -21.159 257 HG2 LYS 32 HG2 LYS 32 -23.222 -5.035 -21.687 258 HG3 LYS 32 HG3 LYS 32 -23.694 -4.872 -23.380 259 HD2 LYS 32 HD2 LYS 32 -23.992 -2.720 -22.592 260 HD3 LYS 32 HD3 LYS 32 -25.614 -3.396 -22.420 261 HE2 LYS 32 HE2 LYS 32 -25.105 -3.907 -20.055 262 HE3 LYS 32 HE3 LYS 32 -23.535 -3.128 -20.250 263 HZ1 LYS 32 HZ1 LYS 32 -25.096 -1.186 -21.104 264 HZ2 LYS 32 HZ2 LYS 32 -24.703 -1.375 -19.470 265 HZ3 LYS 32 HZ3 LYS 32 -26.189 -1.937 -20.052 266 H GLN 33 H GLN 33 -26.206 -8.561 -23.891 267 HA GLN 33 HA GLN 33 -24.405 -8.791 -26.148 268 HB2 GLN 33 HB2 GLN 33 -26.185 -10.518 -25.245 269 HB3 GLN 33 HB3 GLN 33 -27.275 -9.608 -26.282 270 HG2 GLN 33 HG2 GLN 33 -24.836 -11.167 -27.067 271 HG3 GLN 33 HG3 GLN 33 -26.509 -11.427 -27.559 272 HE21 GLN 33 HE21 GLN 33 -23.571 -10.029 -28.362 273 HE22 GLN 33 HE22 GLN 33 -24.101 -9.054 -29.685 274 H THR 34 H THR 34 -24.163 -7.079 -27.424 275 HA THR 34 HA THR 34 -26.535 -5.831 -28.566 276 HB THR 34 HB THR 34 -25.171 -3.564 -28.232 277 HG1 THR 34 HG1 THR 34 -24.698 -4.761 -25.726 278 HG21 THR 34 HG21 THR 34 -27.433 -3.689 -27.570 279 HG22 THR 34 HG22 THR 34 -26.551 -3.219 -26.117 280 HG23 THR 34 HG23 THR 34 -27.085 -4.887 -26.324 281 HA PRO 35 HA PRO 35 -24.165 -5.705 -32.258 282 HB2 PRO 35 HB2 PRO 35 -25.040 -3.416 -33.426 283 HB3 PRO 35 HB3 PRO 35 -26.031 -4.875 -33.311 284 HG2 PRO 35 HG2 PRO 35 -26.067 -2.421 -31.597 285 HG3 PRO 35 HG3 PRO 35 -27.429 -3.351 -32.248 286 HD2 PRO 35 HD2 PRO 35 -26.578 -3.611 -29.691 287 HD3 PRO 35 HD3 PRO 35 -27.278 -4.961 -30.606 288 H ALA 36 H ALA 36 -24.042 -2.928 -30.139 289 HA ALA 36 HA ALA 36 -21.915 -1.572 -31.451 290 HB1 ALA 36 HB1 ALA 36 -22.835 -0.058 -30.078 291 HB2 ALA 36 HB2 ALA 36 -23.417 -1.286 -28.953 292 HB3 ALA 36 HB3 ALA 36 -21.745 -0.733 -28.866 293 H ASP 37 H ASP 37 -22.079 -4.155 -29.115 294 HA ASP 37 HA ASP 37 -19.465 -4.025 -28.099 295 HB2 ASP 37 HB2 ASP 37 -21.557 -6.142 -28.297 296 HB3 ASP 37 HB3 ASP 37 -19.914 -6.638 -27.897 297 H HIS 38 H HIS 38 -20.749 -5.328 -31.075 298 HA HIS 38 HA HIS 38 -18.590 -6.952 -31.829 299 HB2 HIS 38 HB2 HIS 38 -20.870 -6.856 -32.916 300 HB3 HIS 38 HB3 HIS 38 -20.346 -5.377 -33.717 301 HD1 HIS 38 HD1 HIS 38 -20.280 -9.008 -34.032 302 HD2 HIS 38 HD2 HIS 38 -18.092 -5.805 -35.521 303 HE1 HIS 38 HE1 HIS 38 -19.010 -9.919 -36.002 304 H ALA 39 H ALA 39 -19.000 -3.511 -31.848 305 HA ALA 39 HA ALA 39 -16.748 -3.051 -33.617 306 HB1 ALA 39 HB1 ALA 39 -18.886 -1.430 -32.439 307 HB2 ALA 39 HB2 ALA 39 -17.327 -0.612 -32.558 308 HB3 ALA 39 HB3 ALA 39 -18.080 -1.288 -34.002 309 H ALA 40 H ALA 40 -17.387 -3.276 -30.223 310 HA ALA 40 HA ALA 40 -15.367 -1.772 -29.097 311 HB1 ALA 40 HB1 ALA 40 -16.167 -2.674 -27.235 312 HB2 ALA 40 HB2 ALA 40 -17.166 -3.742 -28.221 313 HB3 ALA 40 HB3 ALA 40 -15.565 -4.265 -27.699 314 H ILE 41 H ILE 41 -15.158 -4.812 -30.793 315 HA ILE 41 HA ILE 41 -12.714 -5.784 -29.953 316 HB ILE 41 HB ILE 41 -12.520 -6.915 -32.077 317 HG12 ILE 41 HG12 ILE 41 -14.706 -5.054 -33.034 318 HG13 ILE 41 HG13 ILE 41 -13.022 -5.010 -33.544 319 HG21 ILE 41 HG21 ILE 41 -15.425 -6.716 -31.293 320 HG22 ILE 41 HG22 ILE 41 -14.655 -8.054 -32.144 321 HG23 ILE 41 HG23 ILE 41 -14.215 -7.703 -30.473 322 HD11 ILE 41 HD11 ILE 41 -13.797 -7.611 -34.048 323 HD12 ILE 41 HD12 ILE 41 -15.205 -6.645 -34.495 324 HD13 ILE 41 HD13 ILE 41 -13.636 -6.310 -35.228 325 H GLU 42 H GLU 42 -13.410 -3.073 -32.039 326 HA GLU 42 HA GLU 42 -11.004 -2.709 -33.341 327 HB2 GLU 42 HB2 GLU 42 -11.617 -0.433 -33.632 328 HB3 GLU 42 HB3 GLU 42 -13.116 -1.350 -33.606 329 HG2 GLU 42 HG2 GLU 42 -13.231 -0.757 -31.127 330 HG3 GLU 42 HG3 GLU 42 -11.978 0.430 -31.483 331 H ALA 43 H ALA 43 -11.825 -2.086 -30.001 332 HA ALA 43 HA ALA 43 -9.430 -0.601 -29.430 333 HB1 ALA 43 HB1 ALA 43 -10.160 -0.858 -27.058 334 HB2 ALA 43 HB2 ALA 43 -11.368 -0.125 -28.115 335 HB3 ALA 43 HB3 ALA 43 -11.524 -1.816 -27.637 336 H LEU 44 H LEU 44 -10.597 -3.880 -28.688 337 HA LEU 44 HA LEU 44 -8.392 -4.786 -27.262 338 HB2 LEU 44 HB2 LEU 44 -10.103 -6.396 -29.149 339 HB3 LEU 44 HB3 LEU 44 -9.115 -7.028 -27.834 340 HG LEU 44 HG LEU 44 -11.353 -5.115 -27.278 341 HD11 LEU 44 HD11 LEU 44 -12.185 -7.785 -26.796 342 HD12 LEU 44 HD12 LEU 44 -11.669 -7.663 -28.477 343 HD13 LEU 44 HD13 LEU 44 -12.912 -6.577 -27.856 344 HD21 LEU 44 HD21 LEU 44 -9.497 -5.943 -25.630 345 HD22 LEU 44 HD22 LEU 44 -10.491 -7.399 -25.564 346 HD23 LEU 44 HD23 LEU 44 -11.177 -5.840 -25.105 347 H ASP 45 H ASP 45 -9.003 -4.918 -30.758 348 HA ASP 45 HA ASP 45 -6.747 -6.318 -31.551 349 HB2 ASP 45 HB2 ASP 45 -8.793 -5.344 -32.905 350 HB3 ASP 45 HB3 ASP 45 -7.683 -4.009 -33.205 351 H ARG 46 H ARG 46 -7.109 -2.766 -31.486 352 HA ARG 46 HA ARG 46 -4.476 -2.127 -32.092 353 HB2 ARG 46 HB2 ARG 46 -6.158 -0.421 -32.139 354 HB3 ARG 46 HB3 ARG 46 -6.520 -0.651 -30.434 355 HG2 ARG 46 HG2 ARG 46 -4.450 0.312 -29.778 356 HG3 ARG 46 HG3 ARG 46 -3.857 0.312 -31.440 357 HD2 ARG 46 HD2 ARG 46 -6.270 1.864 -30.525 358 HD3 ARG 46 HD3 ARG 46 -4.641 2.537 -30.583 359 HE ARG 46 HE ARG 46 -5.196 1.462 -33.090 360 HH11 ARG 46 HH11 ARG 46 -6.344 4.022 -31.029 361 HH12 ARG 46 HH12 ARG 46 -6.847 5.031 -32.344 362 HH21 ARG 46 HH21 ARG 46 -5.854 2.782 -34.829 363 HH22 ARG 46 HH22 ARG 46 -6.569 4.325 -34.505 364 H LEU 47 H LEU 47 -5.962 -2.869 -28.982 365 HA LEU 47 HA LEU 47 -3.780 -2.161 -27.349 366 HB2 LEU 47 HB2 LEU 47 -5.861 -2.448 -26.297 367 HB3 LEU 47 HB3 LEU 47 -6.088 -4.048 -27.001 368 HG LEU 47 HG LEU 47 -4.438 -4.988 -25.520 369 HD11 LEU 47 HD11 LEU 47 -3.855 -2.133 -24.947 370 HD12 LEU 47 HD12 LEU 47 -2.755 -3.496 -25.149 371 HD13 LEU 47 HD13 LEU 47 -3.655 -3.304 -23.644 372 HD21 LEU 47 HD21 LEU 47 -5.852 -5.135 -23.788 373 HD22 LEU 47 HD22 LEU 47 -6.898 -4.099 -24.759 374 HD23 LEU 47 HD23 LEU 47 -5.861 -3.392 -23.520 375 H LEU 48 H LEU 48 -4.795 -5.356 -28.566 376 HA LEU 48 HA LEU 48 -2.692 -6.848 -27.539 377 HB2 LEU 48 HB2 LEU 48 -4.177 -7.244 -30.132 378 HB3 LEU 48 HB3 LEU 48 -3.172 -8.457 -29.342 379 HG LEU 48 HG LEU 48 -5.562 -7.274 -27.964 380 HD11 LEU 48 HD11 LEU 48 -6.602 -8.089 -29.875 381 HD12 LEU 48 HD12 LEU 48 -6.686 -9.450 -28.758 382 HD13 LEU 48 HD13 LEU 48 -5.472 -9.434 -30.037 383 HD21 LEU 48 HD21 LEU 48 -3.548 -9.182 -27.313 384 HD22 LEU 48 HD22 LEU 48 -5.106 -10.006 -27.396 385 HD23 LEU 48 HD23 LEU 48 -4.898 -8.616 -26.329 386 H LEU 49 H LEU 49 -2.946 -5.330 -30.752 387 HA LEU 49 HA LEU 49 -0.437 -6.080 -31.711 388 HB2 LEU 49 HB2 LEU 49 -2.207 -3.727 -32.302 389 HB3 LEU 49 HB3 LEU 49 -0.670 -3.968 -33.131 390 HG LEU 49 HG LEU 49 -2.959 -5.933 -33.172 391 HD11 LEU 49 HD11 LEU 49 -2.373 -3.547 -34.792 392 HD12 LEU 49 HD12 LEU 49 -3.901 -4.375 -34.494 393 HD13 LEU 49 HD13 LEU 49 -2.775 -5.008 -35.694 394 HD21 LEU 49 HD21 LEU 49 -0.809 -6.983 -33.526 395 HD22 LEU 49 HD22 LEU 49 -0.385 -5.772 -34.737 396 HD23 LEU 49 HD23 LEU 49 -1.696 -6.911 -35.049 397 H ASP 50 H ASP 50 -1.413 -3.232 -29.848 398 HA ASP 50 HA ASP 50 1.005 -1.842 -29.910 399 HB2 ASP 50 HB2 ASP 50 -1.291 -1.924 -27.984 400 HB3 ASP 50 HB3 ASP 50 0.156 -1.007 -27.577 401 H VAL 51 H VAL 51 -0.195 -3.926 -27.271 402 HA VAL 51 HA VAL 51 2.214 -3.975 -25.833 403 HB VAL 51 HB VAL 51 0.026 -4.639 -24.884 404 HG11 VAL 51 HG11 VAL 51 -0.810 -6.917 -25.291 405 HG12 VAL 51 HG12 VAL 51 -0.841 -5.925 -26.750 406 HG13 VAL 51 HG13 VAL 51 0.424 -7.135 -26.531 407 HG21 VAL 51 HG21 VAL 51 2.165 -6.757 -24.684 408 HG22 VAL 51 HG22 VAL 51 2.108 -5.256 -23.759 409 HG23 VAL 51 HG23 VAL 51 0.866 -6.486 -23.523 410 H ARG 52 H ARG 52 1.160 -5.750 -28.615 411 HA ARG 52 HA ARG 52 3.057 -7.882 -28.367 412 HB2 ARG 52 HB2 ARG 52 0.941 -8.120 -29.624 413 HB3 ARG 52 HB3 ARG 52 1.522 -6.945 -30.797 414 HG2 ARG 52 HG2 ARG 52 1.920 -9.000 -31.806 415 HG3 ARG 52 HG3 ARG 52 3.490 -8.543 -31.143 416 HD2 ARG 52 HD2 ARG 52 3.053 -9.959 -29.182 417 HD3 ARG 52 HD3 ARG 52 1.507 -10.435 -29.883 418 HE ARG 52 HE ARG 52 2.618 -11.859 -31.300 419 HH11 ARG 52 HH11 ARG 52 4.900 -9.710 -29.786 420 HH12 ARG 52 HH12 ARG 52 6.290 -10.567 -30.365 421 HH21 ARG 52 HH21 ARG 52 4.439 -12.996 -32.069 422 HH22 ARG 52 HH22 ARG 52 6.027 -12.435 -31.665 423 H ALA 53 H ALA 53 3.000 -4.730 -29.880 424 HA ALA 53 HA ALA 53 5.600 -5.215 -31.136 425 HB1 ALA 53 HB1 ALA 53 5.004 -3.734 -32.694 426 HB2 ALA 53 HB2 ALA 53 3.381 -3.844 -32.011 427 HB3 ALA 53 HB3 ALA 53 4.470 -2.558 -31.492 428 H ARG 54 H ARG 54 5.163 -4.894 -28.202 429 HA ARG 54 HA ARG 54 6.079 -3.825 -26.410 430 HB2 ARG 54 HB2 ARG 54 8.220 -3.025 -28.386 431 HB3 ARG 54 HB3 ARG 54 8.388 -3.153 -26.640 432 HG2 ARG 54 HG2 ARG 54 8.073 -5.552 -26.756 433 HG3 ARG 54 HG3 ARG 54 7.815 -5.451 -28.499 434 HD2 ARG 54 HD2 ARG 54 10.148 -4.311 -28.515 435 HD3 ARG 54 HD3 ARG 54 10.331 -5.059 -26.928 436 HE ARG 54 HE ARG 54 9.470 -7.004 -28.758 437 HH11 ARG 54 HH11 ARG 54 12.262 -5.052 -28.044 438 HH12 ARG 54 HH12 ARG 54 13.390 -6.198 -28.688 439 HH21 ARG 54 HH21 ARG 54 10.945 -8.521 -29.609 440 HH22 ARG 54 HH22 ARG 54 12.640 -8.171 -29.579 441 H ARG 55 H ARG 55 4.095 -2.337 -27.591 442 HA ARG 55 HA ARG 55 5.137 0.412 -27.613 443 HB2 ARG 55 HB2 ARG 55 2.570 -0.767 -28.676 444 HB3 ARG 55 HB3 ARG 55 2.862 0.964 -28.575 445 HG2 ARG 55 HG2 ARG 55 4.754 0.758 -30.081 446 HG3 ARG 55 HG3 ARG 55 4.528 -0.991 -30.146 447 HD2 ARG 55 HD2 ARG 55 2.316 -0.669 -31.136 448 HD3 ARG 55 HD3 ARG 55 2.531 1.079 -31.057 449 HE ARG 55 HE ARG 55 4.670 0.212 -32.500 450 HH11 ARG 55 HH11 ARG 55 1.221 -0.170 -32.776 451 HH12 ARG 55 HH12 ARG 55 1.241 -0.290 -34.504 452 HH21 ARG 55 HH21 ARG 55 4.710 0.056 -34.775 453 HH22 ARG 55 HH22 ARG 55 3.226 -0.162 -35.640 454 H VAL 56 H VAL 56 4.616 -1.277 -25.222 455 HA VAL 56 HA VAL 56 2.622 0.460 -23.918 456 HB VAL 56 HB VAL 56 3.266 -2.414 -23.243 457 HG11 VAL 56 HG11 VAL 56 1.326 -2.168 -21.677 458 HG12 VAL 56 HG12 VAL 56 2.762 -1.247 -21.223 459 HG13 VAL 56 HG13 VAL 56 1.389 -0.430 -21.971 460 HG21 VAL 56 HG21 VAL 56 0.692 -1.258 -24.299 461 HG22 VAL 56 HG22 VAL 56 1.907 -2.037 -25.313 462 HG23 VAL 56 HG23 VAL 56 1.086 -2.959 -24.054 463 H ASP 57 H ASP 57 3.105 1.281 -21.902 464 HA ASP 57 HA ASP 57 5.807 0.736 -20.868 465 HB2 ASP 57 HB2 ASP 57 6.255 3.021 -20.528 466 HB3 ASP 57 HB3 ASP 57 5.539 2.953 -22.135 467 H GLN 58 H GLN 58 5.942 1.953 -18.586 468 HA GLN 58 HA GLN 58 3.769 0.787 -17.021 469 HB2 GLN 58 HB2 GLN 58 5.274 1.084 -15.098 470 HB3 GLN 58 HB3 GLN 58 6.035 0.163 -16.389 471 HG2 GLN 58 HG2 GLN 58 6.475 3.094 -16.337 472 HG3 GLN 58 HG3 GLN 58 7.286 2.112 -15.119 473 HE21 GLN 58 HE21 GLN 58 8.534 3.616 -17.187 474 HE22 GLN 58 HE22 GLN 58 9.383 2.503 -18.199 475 H PHE 59 H PHE 59 2.532 1.931 -15.561 476 HA PHE 59 HA PHE 59 2.958 4.634 -14.865 477 HB2 PHE 59 HB2 PHE 59 2.299 4.829 -17.316 478 HB3 PHE 59 HB3 PHE 59 0.703 4.263 -16.835 479 HD1 PHE 59 HD2 PHE 59 3.209 6.880 -15.970 480 HD2 PHE 59 HD1 PHE 59 -0.900 5.809 -16.258 481 HE1 PHE 59 HE2 PHE 59 2.572 9.185 -15.393 482 HE2 PHE 59 HE1 PHE 59 -1.544 8.113 -15.683 483 HZ PHE 59 HZ PHE 59 0.192 9.804 -15.248 484 H GLN 60 H GLN 60 1.081 5.560 -13.684 485 HA GLN 60 HA GLN 60 -0.803 3.519 -12.735 486 HB2 GLN 60 HB2 GLN 60 -0.458 4.497 -10.402 487 HB3 GLN 60 HB3 GLN 60 0.815 3.457 -11.027 488 HG2 GLN 60 HG2 GLN 60 2.314 5.154 -11.203 489 HG3 GLN 60 HG3 GLN 60 1.072 6.369 -11.498 490 HE21 GLN 60 HE21 GLN 60 1.408 4.027 -8.872 491 HE22 GLN 60 HE22 GLN 60 1.478 5.196 -7.601 492 H ILE 61 H ILE 61 -2.838 4.234 -12.412 493 HA ILE 61 HA ILE 61 -3.429 6.969 -13.177 494 HB ILE 61 HB ILE 61 -5.773 6.286 -13.142 495 HG12 ILE 61 HG12 ILE 61 -4.718 3.615 -12.187 496 HG13 ILE 61 HG13 ILE 61 -5.663 4.748 -11.227 497 HG21 ILE 61 HG21 ILE 61 -4.620 3.970 -14.530 498 HG22 ILE 61 HG22 ILE 61 -5.626 5.280 -15.146 499 HG23 ILE 61 HG23 ILE 61 -3.892 5.523 -14.937 500 HD11 ILE 61 HD11 ILE 61 -6.558 2.693 -12.979 501 HD12 ILE 61 HD12 ILE 61 -7.502 3.751 -11.929 502 HD13 ILE 61 HD13 ILE 61 -7.127 4.251 -13.578 503 H ASN 62 H ASN 62 -3.441 4.975 -10.311 504 HA ASN 62 HA ASN 62 -3.490 7.197 -8.571 505 HB2 ASN 62 HB2 ASN 62 -5.680 6.763 -7.476 506 HB3 ASN 62 HB3 ASN 62 -5.845 7.338 -9.133 507 HD21 ASN 62 HD21 ASN 62 -7.658 6.437 -9.836 508 HD22 ASN 62 HD22 ASN 62 -8.016 4.747 -9.800 509 H ALA 63 H ALA 63 -3.558 6.531 -6.270 510 HA ALA 63 HA ALA 63 -2.396 3.853 -5.983 511 HB1 ALA 63 HB1 ALA 63 -1.647 4.780 -3.734 512 HB2 ALA 63 HB2 ALA 63 -0.902 5.475 -5.174 513 HB3 ALA 63 HB3 ALA 63 -2.179 6.352 -4.331 514 H SER 64 H SER 64 -5.266 4.275 -6.189 515 HA SER 64 HA SER 64 -6.106 3.444 -3.489 516 HB2 SER 64 HB2 SER 64 -7.887 4.584 -5.651 517 HB3 SER 64 HB3 SER 64 -8.300 4.307 -3.959 518 HG SER 64 HG SER 64 -7.080 6.005 -3.365 519 H ALA 65 H ALA 65 -4.933 1.706 -5.474 520 HA ALA 65 HA ALA 65 -6.709 -0.466 -5.318 521 HB1 ALA 65 HB1 ALA 65 -7.724 -0.624 -7.345 522 HB2 ALA 65 HB2 ALA 65 -7.625 1.133 -7.233 523 HB3 ALA 65 HB3 ALA 65 -6.437 0.242 -8.184 524 H ALA 66 H ALA 66 -5.938 -2.303 -6.864 525 HA ALA 66 HA ALA 66 -3.319 -2.936 -6.274 526 HB1 ALA 66 HB1 ALA 66 -3.575 -4.823 -7.604 527 HB2 ALA 66 HB2 ALA 66 -5.234 -4.419 -7.162 528 HB3 ALA 66 HB3 ALA 66 -4.617 -3.991 -8.758 529 H GLN 67 H GLN 67 -1.418 -2.247 -6.993 530 HA GLN 67 HA GLN 67 -1.331 -0.606 -9.409 531 HB2 GLN 67 HB2 GLN 67 0.826 -1.053 -7.341 532 HB3 GLN 67 HB3 GLN 67 0.833 0.155 -8.620 533 HG2 GLN 67 HG2 GLN 67 -1.132 0.052 -6.343 534 HG3 GLN 67 HG3 GLN 67 0.286 1.097 -6.422 535 HE21 GLN 67 HE21 GLN 67 -0.002 3.055 -7.209 536 HE22 GLN 67 HE22 GLN 67 -1.330 3.573 -8.185 537 H ILE 68 H ILE 68 0.068 -1.005 -11.120 538 HA ILE 68 HA ILE 68 1.560 -3.524 -11.101 539 HB ILE 68 HB ILE 68 -0.306 -2.794 -13.358 540 HG12 ILE 68 HG12 ILE 68 -1.367 -5.057 -12.418 541 HG13 ILE 68 HG13 ILE 68 -0.692 -4.448 -10.911 542 HG21 ILE 68 HG21 ILE 68 1.923 -4.451 -13.293 543 HG22 ILE 68 HG22 ILE 68 0.548 -5.548 -13.176 544 HG23 ILE 68 HG23 ILE 68 0.664 -4.421 -14.526 545 HD11 ILE 68 HD11 ILE 68 -1.980 -2.258 -11.984 546 HD12 ILE 68 HD12 ILE 68 -3.047 -3.610 -12.362 547 HD13 ILE 68 HD13 ILE 68 -2.574 -3.300 -10.692 548 H ILE 69 H ILE 69 3.554 -3.165 -11.794 549 HA ILE 69 HA ILE 69 4.020 -0.910 -13.633 550 HB ILE 69 HB ILE 69 5.931 -2.112 -11.627 551 HG12 ILE 69 HG12 ILE 69 5.711 0.399 -10.813 552 HG13 ILE 69 HG13 ILE 69 4.147 0.285 -11.614 553 HG21 ILE 69 HG21 ILE 69 6.950 0.310 -12.448 554 HG22 ILE 69 HG22 ILE 69 7.504 -1.279 -12.973 555 HG23 ILE 69 HG23 ILE 69 6.325 -0.393 -13.940 556 HD11 ILE 69 HD11 ILE 69 4.640 -0.391 -9.032 557 HD12 ILE 69 HD12 ILE 69 3.286 -0.985 -9.994 558 HD13 ILE 69 HD13 ILE 69 4.750 -1.956 -9.837 559 H VAL 70 H VAL 70 5.041 -1.269 -15.521 560 HA VAL 70 HA VAL 70 5.436 -3.984 -16.373 561 HB VAL 70 HB VAL 70 6.047 -1.406 -17.826 562 HG11 VAL 70 HG11 VAL 70 5.520 -3.351 -19.698 563 HG12 VAL 70 HG12 VAL 70 7.119 -2.754 -19.250 564 HG13 VAL 70 HG13 VAL 70 6.475 -4.209 -18.489 565 HG21 VAL 70 HG21 VAL 70 3.788 -2.890 -18.811 566 HG22 VAL 70 HG22 VAL 70 3.574 -2.497 -17.105 567 HG23 VAL 70 HG23 VAL 70 3.877 -1.212 -18.275 568 H THR 71 H THR 71 7.264 -5.118 -16.379 569 HA THR 71 HA THR 71 9.781 -3.695 -15.811 570 HB THR 71 HB THR 71 10.606 -5.884 -14.926 571 HG1 THR 71 HG1 THR 71 7.870 -6.608 -15.277 572 HG21 THR 71 HG21 THR 71 10.004 -4.464 -13.209 573 HG22 THR 71 HG22 THR 71 8.947 -5.842 -12.898 574 HG23 THR 71 HG23 THR 71 8.313 -4.408 -13.706 575 H ASP 72 H ASP 72 9.960 -3.316 -18.136 576 HA ASP 72 HA ASP 72 10.100 -5.333 -20.063 577 HB2 ASP 72 HB2 ASP 72 11.030 -3.726 -21.502 578 HB3 ASP 72 HB3 ASP 72 10.059 -2.779 -20.378 Start of MODEL 8 1 H1 MET 1 H MET 1 -2.176 -0.223 -0.653 2 HA MET 1 HA MET 1 -1.493 -0.067 -3.360 3 HB2 MET 1 HB2 MET 1 0.223 -0.069 -0.877 4 HB3 MET 1 HB3 MET 1 0.864 0.231 -2.487 5 HG2 MET 1 HG2 MET 1 -0.787 2.119 -2.671 6 HG3 MET 1 HG3 MET 1 -1.119 1.885 -0.956 7 HE1 MET 1 HE1 MET 1 -0.307 3.336 0.570 8 HE2 MET 1 HE2 MET 1 1.017 2.252 0.994 9 HE3 MET 1 HE3 MET 1 1.330 3.969 0.741 10 H ASP 2 H ASP 2 -1.432 -1.812 -4.637 11 HA ASP 2 HA ASP 2 0.195 -4.103 -3.748 12 HB2 ASP 2 HB2 ASP 2 -2.462 -4.016 -5.112 13 HB3 ASP 2 HB3 ASP 2 -1.360 -5.335 -5.499 14 H ARG 3 H ARG 3 1.866 -4.617 -5.006 15 HA ARG 3 HA ARG 3 2.079 -3.291 -7.619 16 HB2 ARG 3 HB2 ARG 3 4.113 -4.262 -5.634 17 HB3 ARG 3 HB3 ARG 3 4.557 -4.012 -7.317 18 HG2 ARG 3 HG2 ARG 3 3.800 -1.672 -7.138 19 HG3 ARG 3 HG3 ARG 3 3.459 -1.942 -5.428 20 HD2 ARG 3 HD2 ARG 3 5.800 -2.458 -5.024 21 HD3 ARG 3 HD3 ARG 3 6.155 -2.264 -6.740 22 HE ARG 3 HE ARG 3 4.994 0.103 -5.846 23 HH11 ARG 3 HH11 ARG 3 7.887 -1.758 -5.313 24 HH12 ARG 3 HH12 ARG 3 8.859 -0.379 -4.921 25 HH21 ARG 3 HH21 ARG 3 6.263 1.927 -5.331 26 HH22 ARG 3 HH22 ARG 3 7.934 1.717 -4.930 27 H ILE 4 H ILE 4 2.461 -4.429 -9.471 28 HA ILE 4 HA ILE 4 2.779 -7.338 -9.276 29 HB ILE 4 HB ILE 4 0.701 -5.970 -10.989 30 HG12 ILE 4 HG12 ILE 4 0.429 -7.881 -8.658 31 HG13 ILE 4 HG13 ILE 4 0.039 -6.165 -8.637 32 HG21 ILE 4 HG21 ILE 4 1.722 -7.824 -12.174 33 HG22 ILE 4 HG22 ILE 4 1.457 -8.882 -10.789 34 HG23 ILE 4 HG23 ILE 4 0.080 -8.244 -11.687 35 HD11 ILE 4 HD11 ILE 4 -1.565 -8.400 -9.463 36 HD12 ILE 4 HD12 ILE 4 -2.030 -6.723 -9.177 37 HD13 ILE 4 HD13 ILE 4 -1.424 -7.212 -10.759 38 H PHE 5 H PHE 5 4.679 -7.654 -10.241 39 HA PHE 5 HA PHE 5 5.478 -6.028 -12.514 40 HB2 PHE 5 HB2 PHE 5 6.872 -8.072 -10.805 41 HB3 PHE 5 HB3 PHE 5 7.580 -7.525 -12.321 42 HD1 PHE 5 HD1 PHE 5 5.948 -5.974 -9.340 43 HD2 PHE 5 HD2 PHE 5 9.166 -5.892 -12.124 44 HE1 PHE 5 HE1 PHE 5 6.893 -4.017 -8.185 45 HE2 PHE 5 HE2 PHE 5 10.116 -3.936 -10.974 46 HZ PHE 5 HZ PHE 5 8.980 -2.996 -9.001 47 H MET 6 H MET 6 4.732 -6.585 -14.450 48 HA MET 6 HA MET 6 4.576 -9.451 -15.117 49 HB2 MET 6 HB2 MET 6 2.780 -7.163 -15.713 50 HB3 MET 6 HB3 MET 6 2.987 -8.361 -16.983 51 HG2 MET 6 HG2 MET 6 2.116 -10.085 -15.643 52 HG3 MET 6 HG3 MET 6 2.244 -9.115 -14.178 53 HE1 MET 6 HE1 MET 6 0.110 -9.448 -13.285 54 HE2 MET 6 HE2 MET 6 -1.447 -8.947 -13.944 55 HE3 MET 6 HE3 MET 6 -0.693 -10.441 -14.502 56 H THR 7 H THR 7 5.375 -10.149 -17.088 57 HA THR 7 HA THR 7 7.442 -8.482 -18.229 58 HB THR 7 HB THR 7 7.901 -10.496 -19.664 59 HG1 THR 7 HG1 THR 7 6.220 -11.984 -17.977 60 HG21 THR 7 HG21 THR 7 9.346 -10.834 -17.995 61 HG22 THR 7 HG22 THR 7 8.148 -11.909 -17.273 62 HG23 THR 7 HG23 THR 7 8.207 -10.210 -16.803 63 H ARG 8 H ARG 8 7.630 -8.917 -20.794 64 HA ARG 8 HA ARG 8 5.826 -7.231 -22.024 65 HB2 ARG 8 HB2 ARG 8 6.637 -8.246 -24.178 66 HB3 ARG 8 HB3 ARG 8 7.907 -7.693 -23.094 67 HG2 ARG 8 HG2 ARG 8 8.134 -10.057 -22.301 68 HG3 ARG 8 HG3 ARG 8 7.028 -10.524 -23.594 69 HD2 ARG 8 HD2 ARG 8 8.539 -9.863 -25.269 70 HD3 ARG 8 HD3 ARG 8 9.523 -8.942 -24.132 71 HE ARG 8 HE ARG 8 10.621 -10.873 -23.562 72 HH11 ARG 8 HH11 ARG 8 7.743 -11.665 -25.354 73 HH12 ARG 8 HH12 ARG 8 8.149 -13.341 -25.517 74 HH21 ARG 8 HH21 ARG 8 11.167 -13.078 -23.771 75 HH22 ARG 8 HH22 ARG 8 10.096 -14.144 -24.616 76 H THR 9 H THR 9 5.796 -10.781 -21.944 77 HA THR 9 HA THR 9 3.356 -10.965 -23.447 78 HB THR 9 HB THR 9 4.387 -13.214 -21.757 79 HG1 THR 9 HG1 THR 9 5.750 -13.639 -23.725 80 HG21 THR 9 HG21 THR 9 2.584 -14.009 -22.908 81 HG22 THR 9 HG22 THR 9 3.823 -14.286 -24.133 82 HG23 THR 9 HG23 THR 9 2.786 -12.863 -24.232 83 H GLU 10 H GLU 10 4.261 -11.352 -20.037 84 HA GLU 10 HA GLU 10 1.744 -12.104 -19.067 85 HB2 GLU 10 HB2 GLU 10 4.242 -11.688 -17.972 86 HB3 GLU 10 HB3 GLU 10 3.278 -10.415 -17.237 87 HG2 GLU 10 HG2 GLU 10 3.283 -12.372 -15.833 88 HG3 GLU 10 HG3 GLU 10 1.664 -12.090 -16.471 89 H ALA 11 H ALA 11 2.887 -9.090 -20.215 90 HA ALA 11 HA ALA 11 1.456 -7.213 -18.798 91 HB1 ALA 11 HB1 ALA 11 1.663 -5.771 -20.670 92 HB2 ALA 11 HB2 ALA 11 3.096 -6.800 -20.661 93 HB3 ALA 11 HB3 ALA 11 1.781 -7.130 -21.789 94 H LEU 12 H LEU 12 0.297 -9.539 -21.122 95 HA LEU 12 HA LEU 12 -2.117 -8.471 -21.902 96 HB2 LEU 12 HB2 LEU 12 -1.616 -11.349 -21.160 97 HB3 LEU 12 HB3 LEU 12 -2.898 -10.747 -22.210 98 HG LEU 12 HG LEU 12 -0.066 -10.217 -22.972 99 HD11 LEU 12 HD11 LEU 12 -0.100 -12.590 -22.338 100 HD12 LEU 12 HD12 LEU 12 0.111 -12.365 -24.074 101 HD13 LEU 12 HD13 LEU 12 -1.459 -12.851 -23.433 102 HD21 LEU 12 HD21 LEU 12 -1.578 -11.054 -25.141 103 HD22 LEU 12 HD22 LEU 12 -1.189 -9.389 -24.706 104 HD23 LEU 12 HD23 LEU 12 -2.703 -10.114 -24.161 105 H GLU 13 H GLU 13 -1.329 -10.133 -18.885 106 HA GLU 13 HA GLU 13 -3.955 -10.253 -17.863 107 HB2 GLU 13 HB2 GLU 13 -1.215 -10.493 -16.719 108 HB3 GLU 13 HB3 GLU 13 -2.548 -10.229 -15.604 109 HG2 GLU 13 HG2 GLU 13 -2.270 -12.494 -17.565 110 HG3 GLU 13 HG3 GLU 13 -2.099 -12.585 -15.813 111 H PHE 14 H PHE 14 -1.474 -7.773 -17.773 112 HA PHE 14 HA PHE 14 -2.729 -6.124 -15.832 113 HB2 PHE 14 HB2 PHE 14 -0.400 -5.794 -16.205 114 HB3 PHE 14 HB3 PHE 14 -0.638 -5.579 -17.937 115 HD1 PHE 14 HD2 PHE 14 -2.514 -4.043 -15.125 116 HD2 PHE 14 HD1 PHE 14 0.194 -3.451 -18.356 117 HE1 PHE 14 HE2 PHE 14 -2.660 -1.609 -14.798 118 HE2 PHE 14 HE1 PHE 14 0.052 -1.016 -18.033 119 HZ PHE 14 HZ PHE 14 -1.377 -0.092 -16.253 120 H LEU 15 H LEU 15 -2.632 -6.010 -19.385 121 HA LEU 15 HA LEU 15 -4.374 -3.769 -19.586 122 HB2 LEU 15 HB2 LEU 15 -4.499 -4.381 -21.978 123 HB3 LEU 15 HB3 LEU 15 -2.852 -4.234 -21.370 124 HG LEU 15 HG LEU 15 -3.023 -6.829 -21.110 125 HD11 LEU 15 HD11 LEU 15 -4.793 -7.853 -21.967 126 HD12 LEU 15 HD12 LEU 15 -4.600 -7.007 -23.502 127 HD13 LEU 15 HD13 LEU 15 -5.541 -6.273 -22.203 128 HD21 LEU 15 HD21 LEU 15 -1.420 -5.849 -22.555 129 HD22 LEU 15 HD22 LEU 15 -2.661 -5.338 -23.700 130 HD23 LEU 15 HD23 LEU 15 -2.288 -7.052 -23.508 131 H LEU 16 H LEU 16 -4.852 -7.174 -19.240 132 HA LEU 16 HA LEU 16 -7.593 -7.126 -20.159 133 HB2 LEU 16 HB2 LEU 16 -6.206 -9.112 -20.477 134 HB3 LEU 16 HB3 LEU 16 -6.024 -9.269 -18.732 135 HG LEU 16 HG LEU 16 -8.481 -9.652 -18.574 136 HD11 LEU 16 HD11 LEU 16 -9.832 -9.931 -20.442 137 HD12 LEU 16 HD12 LEU 16 -8.458 -10.092 -21.536 138 HD13 LEU 16 HD13 LEU 16 -8.861 -8.517 -20.853 139 HD21 LEU 16 HD21 LEU 16 -8.400 -11.946 -19.432 140 HD22 LEU 16 HD22 LEU 16 -6.921 -11.519 -18.572 141 HD23 LEU 16 HD23 LEU 16 -6.937 -11.554 -20.336 142 H LYS 17 H LYS 17 -5.860 -7.108 -17.102 143 HA LYS 17 HA LYS 17 -8.288 -7.315 -15.542 144 HB2 LYS 17 HB2 LYS 17 -6.897 -7.338 -13.632 145 HB3 LYS 17 HB3 LYS 17 -6.025 -8.252 -14.856 146 HG2 LYS 17 HG2 LYS 17 -4.798 -6.078 -15.366 147 HG3 LYS 17 HG3 LYS 17 -5.475 -5.482 -13.849 148 HD2 LYS 17 HD2 LYS 17 -3.764 -7.949 -14.167 149 HD3 LYS 17 HD3 LYS 17 -3.219 -6.391 -13.541 150 HE2 LYS 17 HE2 LYS 17 -5.348 -8.148 -12.323 151 HE3 LYS 17 HE3 LYS 17 -3.699 -7.961 -11.731 152 HZ1 LYS 17 HZ1 LYS 17 -5.977 -6.206 -11.431 153 HZ2 LYS 17 HZ2 LYS 17 -4.533 -5.418 -11.821 154 HZ3 LYS 17 HZ3 LYS 17 -4.618 -6.395 -10.442 155 H ALA 18 H ALA 18 -6.253 -4.828 -16.826 156 HA ALA 18 HA ALA 18 -6.846 -2.710 -15.101 157 HB1 ALA 18 HB1 ALA 18 -5.090 -2.459 -16.687 158 HB2 ALA 18 HB2 ALA 18 -6.190 -2.728 -18.040 159 HB3 ALA 18 HB3 ALA 18 -6.322 -1.257 -17.076 160 H HIS 19 H HIS 19 -8.486 -3.730 -18.091 161 HA HIS 19 HA HIS 19 -10.465 -1.740 -18.078 162 HB2 HIS 19 HB2 HIS 19 -10.194 -4.428 -19.360 163 HB3 HIS 19 HB3 HIS 19 -11.757 -3.618 -19.407 164 HD1 HIS 19 HD1 HIS 19 -10.703 -3.970 -22.078 165 HD2 HIS 19 HD2 HIS 19 -9.449 -0.784 -19.724 166 HE1 HIS 19 HE1 HIS 19 -9.808 -2.257 -23.687 167 H GLN 20 H GLN 20 -10.482 -5.040 -16.769 168 HA GLN 20 HA GLN 20 -13.108 -5.152 -15.892 169 HB2 GLN 20 HB2 GLN 20 -11.204 -6.939 -15.860 170 HB3 GLN 20 HB3 GLN 20 -10.901 -6.327 -14.240 171 HG2 GLN 20 HG2 GLN 20 -12.310 -8.169 -13.951 172 HG3 GLN 20 HG3 GLN 20 -13.352 -6.758 -13.773 173 HE21 GLN 20 HE21 GLN 20 -14.539 -9.095 -14.264 174 HE22 GLN 20 HE22 GLN 20 -15.131 -9.167 -15.885 175 H THR 21 H THR 21 -10.282 -3.723 -14.343 176 HA THR 21 HA THR 21 -11.667 -3.087 -11.911 177 HB THR 21 HB THR 21 -9.122 -1.754 -12.801 178 HG1 THR 21 HG1 THR 21 -7.990 -3.553 -12.301 179 HG21 THR 21 HG21 THR 21 -10.659 -1.888 -10.387 180 HG22 THR 21 HG22 THR 21 -9.197 -0.959 -10.721 181 HG23 THR 21 HG23 THR 21 -9.074 -2.609 -10.113 182 H ALA 22 H ALA 22 -10.812 -1.370 -14.869 183 HA ALA 22 HA ALA 22 -11.566 1.213 -14.004 184 HB1 ALA 22 HB1 ALA 22 -10.434 1.566 -15.895 185 HB2 ALA 22 HB2 ALA 22 -10.777 -0.053 -16.506 186 HB3 ALA 22 HB3 ALA 22 -11.957 1.239 -16.723 187 H VAL 23 H VAL 23 -13.376 -1.521 -15.114 188 HA VAL 23 HA VAL 23 -15.755 0.002 -15.733 189 HB VAL 23 HB VAL 23 -15.375 -2.986 -15.485 190 HG11 VAL 23 HG11 VAL 23 -17.621 -2.947 -15.385 191 HG12 VAL 23 HG12 VAL 23 -17.723 -1.292 -15.990 192 HG13 VAL 23 HG13 VAL 23 -17.509 -2.633 -17.116 193 HG21 VAL 23 HG21 VAL 23 -15.863 -2.073 -18.147 194 HG22 VAL 23 HG22 VAL 23 -14.499 -1.183 -17.471 195 HG23 VAL 23 HG23 VAL 23 -14.468 -2.946 -17.512 196 H ASP 24 H ASP 24 -14.397 -1.660 -13.011 197 HA ASP 24 HA ASP 24 -16.794 -2.040 -11.540 198 HB2 ASP 24 HB2 ASP 24 -14.972 -3.351 -10.838 199 HB3 ASP 24 HB3 ASP 24 -13.880 -1.969 -10.796 200 H LYS 25 H LYS 25 -14.276 0.469 -11.413 201 HA LYS 25 HA LYS 25 -15.326 2.014 -9.361 202 HB2 LYS 25 HB2 LYS 25 -14.111 3.920 -10.451 203 HB3 LYS 25 HB3 LYS 25 -13.131 2.484 -10.185 204 HG2 LYS 25 HG2 LYS 25 -13.388 1.859 -12.525 205 HG3 LYS 25 HG3 LYS 25 -14.401 3.279 -12.799 206 HD2 LYS 25 HD2 LYS 25 -11.658 3.606 -11.656 207 HD3 LYS 25 HD3 LYS 25 -11.862 3.354 -13.392 208 HE2 LYS 25 HE2 LYS 25 -13.429 5.278 -13.430 209 HE3 LYS 25 HE3 LYS 25 -13.074 5.559 -11.727 210 HZ1 LYS 25 HZ1 LYS 25 -10.730 5.366 -13.385 211 HZ2 LYS 25 HZ2 LYS 25 -11.137 6.521 -12.219 212 HZ3 LYS 25 HZ3 LYS 25 -11.737 6.663 -13.794 213 H ILE 26 H ILE 26 -16.154 1.949 -12.783 214 HA ILE 26 HA ILE 26 -17.848 4.234 -12.720 215 HB ILE 26 HB ILE 26 -17.847 1.928 -14.672 216 HG12 ILE 26 HG12 ILE 26 -15.673 3.089 -14.525 217 HG13 ILE 26 HG13 ILE 26 -16.458 3.364 -16.077 218 HG21 ILE 26 HG21 ILE 26 -19.210 4.594 -14.651 219 HG22 ILE 26 HG22 ILE 26 -18.805 3.798 -16.171 220 HG23 ILE 26 HG23 ILE 26 -19.876 3.003 -15.018 221 HD11 ILE 26 HD11 ILE 26 -15.447 5.273 -14.309 222 HD12 ILE 26 HD12 ILE 26 -16.385 5.551 -15.777 223 HD13 ILE 26 HD13 ILE 26 -17.203 5.416 -14.220 224 H GLY 27 H GLY 27 -18.254 0.917 -11.844 225 HA2 GLY 27 HA2 GLY 27 -20.009 -0.135 -10.787 226 HA3 GLY 27 HA3 GLY 27 -20.811 1.425 -10.691 227 H HIS 28 H HIS 28 -19.752 0.029 -13.718 228 HA HIS 28 HA HIS 28 -22.170 0.389 -15.029 229 HB2 HIS 28 HB2 HIS 28 -19.740 -1.261 -15.553 230 HB3 HIS 28 HB3 HIS 28 -21.174 -1.559 -16.531 231 HD1 HIS 28 HD1 HIS 28 -22.157 0.747 -17.698 232 HD2 HIS 28 HD2 HIS 28 -18.171 0.715 -16.524 233 HE1 HIS 28 HE1 HIS 28 -21.064 2.617 -18.976 234 HA PRO 29 HA PRO 29 -24.834 -2.881 -13.823 235 HB2 PRO 29 HB2 PRO 29 -26.105 -3.448 -16.154 236 HB3 PRO 29 HB3 PRO 29 -26.408 -1.972 -15.229 237 HG2 PRO 29 HG2 PRO 29 -24.679 -2.376 -17.639 238 HG3 PRO 29 HG3 PRO 29 -25.799 -1.051 -17.276 239 HD2 PRO 29 HD2 PRO 29 -23.122 -0.832 -16.932 240 HD3 PRO 29 HD3 PRO 29 -24.289 0.013 -15.896 241 H SER 30 H SER 30 -25.456 -5.154 -14.291 242 HA SER 30 HA SER 30 -23.253 -6.610 -15.602 243 HB2 SER 30 HB2 SER 30 -23.219 -8.195 -13.902 244 HB3 SER 30 HB3 SER 30 -23.563 -6.719 -13.001 245 HG SER 30 HG SER 30 -24.957 -8.859 -12.900 246 H HIS 31 H HIS 31 -25.958 -5.684 -16.570 247 HA HIS 31 HA HIS 31 -27.753 -7.790 -16.825 248 HB2 HIS 31 HB2 HIS 31 -27.921 -5.290 -17.569 249 HB3 HIS 31 HB3 HIS 31 -27.290 -5.890 -19.100 250 HD1 HIS 31 HD1 HIS 31 -29.272 -5.863 -20.599 251 HD2 HIS 31 HD2 HIS 31 -30.127 -7.561 -16.904 252 HE1 HIS 31 HE1 HIS 31 -31.620 -6.743 -20.790 253 H LYS 32 H LYS 32 -28.258 -8.976 -18.884 254 HA LYS 32 HA LYS 32 -26.218 -10.733 -19.548 255 HB2 LYS 32 HB2 LYS 32 -28.734 -11.000 -19.895 256 HB3 LYS 32 HB3 LYS 32 -28.521 -10.091 -21.385 257 HG2 LYS 32 HG2 LYS 32 -27.273 -11.777 -22.384 258 HG3 LYS 32 HG3 LYS 32 -26.890 -12.540 -20.839 259 HD2 LYS 32 HD2 LYS 32 -28.495 -13.961 -21.729 260 HD3 LYS 32 HD3 LYS 32 -29.446 -12.919 -20.668 261 HE2 LYS 32 HE2 LYS 32 -30.639 -13.100 -22.713 262 HE3 LYS 32 HE3 LYS 32 -29.928 -11.488 -22.675 263 HZ1 LYS 32 HZ1 LYS 32 -29.405 -13.692 -24.468 264 HZ2 LYS 32 HZ2 LYS 32 -28.015 -12.908 -23.908 265 HZ3 LYS 32 HZ3 LYS 32 -29.216 -12.028 -24.712 266 H GLN 33 H GLN 33 -24.992 -11.036 -21.463 267 HA GLN 33 HA GLN 33 -23.637 -8.802 -22.393 268 HB2 GLN 33 HB2 GLN 33 -23.922 -11.595 -23.461 269 HB3 GLN 33 HB3 GLN 33 -22.979 -10.392 -24.330 270 HG2 GLN 33 HG2 GLN 33 -21.386 -11.473 -23.064 271 HG3 GLN 33 HG3 GLN 33 -21.759 -10.053 -22.087 272 HE21 GLN 33 HE21 GLN 33 -22.740 -13.429 -22.528 273 HE22 GLN 33 HE22 GLN 33 -23.004 -13.753 -20.852 274 H THR 34 H THR 34 -23.505 -7.998 -24.641 275 HA THR 34 HA THR 34 -26.049 -8.114 -26.096 276 HB THR 34 HB THR 34 -25.546 -5.528 -26.491 277 HG1 THR 34 HG1 THR 34 -24.687 -5.931 -23.804 278 HG21 THR 34 HG21 THR 34 -26.982 -6.715 -24.116 279 HG22 THR 34 HG22 THR 34 -27.664 -6.337 -25.698 280 HG23 THR 34 HG23 THR 34 -27.139 -5.036 -24.629 281 HA PRO 35 HA PRO 35 -23.604 -8.268 -29.737 282 HB2 PRO 35 HB2 PRO 35 -25.103 -6.846 -31.498 283 HB3 PRO 35 HB3 PRO 35 -25.562 -8.454 -30.925 284 HG2 PRO 35 HG2 PRO 35 -26.525 -5.772 -30.010 285 HG3 PRO 35 HG3 PRO 35 -27.455 -7.251 -30.313 286 HD2 PRO 35 HD2 PRO 35 -26.745 -6.461 -27.822 287 HD3 PRO 35 HD3 PRO 35 -26.894 -8.171 -28.276 288 H ALA 36 H ALA 36 -24.568 -5.119 -28.555 289 HA ALA 36 HA ALA 36 -22.933 -3.562 -30.271 290 HB1 ALA 36 HB1 ALA 36 -24.177 -1.980 -29.337 291 HB2 ALA 36 HB2 ALA 36 -24.731 -3.100 -28.092 292 HB3 ALA 36 HB3 ALA 36 -23.250 -2.172 -27.849 293 H ASP 37 H ASP 37 -22.366 -5.240 -27.260 294 HA ASP 37 HA ASP 37 -20.017 -3.978 -26.431 295 HB2 ASP 37 HB2 ASP 37 -21.502 -5.870 -25.330 296 HB3 ASP 37 HB3 ASP 37 -20.310 -6.930 -26.077 297 H HIS 38 H HIS 38 -20.590 -6.310 -28.950 298 HA HIS 38 HA HIS 38 -18.056 -7.366 -29.330 299 HB2 HIS 38 HB2 HIS 38 -20.245 -6.712 -31.300 300 HB3 HIS 38 HB3 HIS 38 -18.762 -7.534 -31.775 301 HD1 HIS 38 HD1 HIS 38 -21.766 -8.704 -31.768 302 HD2 HIS 38 HD2 HIS 38 -18.731 -9.542 -29.057 303 HE1 HIS 38 HE1 HIS 38 -22.352 -10.938 -30.772 304 H ALA 39 H ALA 39 -19.274 -4.195 -30.058 305 HA ALA 39 HA ALA 39 -17.372 -3.366 -31.946 306 HB1 ALA 39 HB1 ALA 39 -18.351 -1.370 -29.991 307 HB2 ALA 39 HB2 ALA 39 -18.304 -1.307 -31.754 308 HB3 ALA 39 HB3 ALA 39 -19.566 -2.230 -30.938 309 H ALA 40 H ALA 40 -17.227 -3.643 -28.467 310 HA ALA 40 HA ALA 40 -15.083 -2.005 -27.856 311 HB1 ALA 40 HB1 ALA 40 -14.833 -3.236 -25.868 312 HB2 ALA 40 HB2 ALA 40 -16.545 -3.359 -26.277 313 HB3 ALA 40 HB3 ALA 40 -15.461 -4.711 -26.605 314 H ILE 41 H ILE 41 -15.123 -5.070 -29.503 315 HA ILE 41 HA ILE 41 -12.526 -5.954 -29.180 316 HB ILE 41 HB ILE 41 -14.174 -6.078 -31.709 317 HG12 ILE 41 HG12 ILE 41 -13.867 -8.239 -29.633 318 HG13 ILE 41 HG13 ILE 41 -15.137 -7.026 -29.519 319 HG21 ILE 41 HG21 ILE 41 -12.548 -8.336 -31.495 320 HG22 ILE 41 HG22 ILE 41 -12.376 -7.001 -32.632 321 HG23 ILE 41 HG23 ILE 41 -11.505 -6.970 -31.100 322 HD11 ILE 41 HD11 ILE 41 -15.626 -7.800 -31.985 323 HD12 ILE 41 HD12 ILE 41 -14.818 -9.267 -31.433 324 HD13 ILE 41 HD13 ILE 41 -16.256 -8.685 -30.596 325 H GLU 42 H GLU 42 -13.764 -3.427 -31.296 326 HA GLU 42 HA GLU 42 -11.581 -3.016 -32.944 327 HB2 GLU 42 HB2 GLU 42 -12.442 -0.849 -33.376 328 HB3 GLU 42 HB3 GLU 42 -13.835 -1.871 -33.050 329 HG2 GLU 42 HG2 GLU 42 -13.540 -0.995 -30.609 330 HG3 GLU 42 HG3 GLU 42 -12.658 0.310 -31.401 331 H ALA 43 H ALA 43 -12.032 -2.139 -29.596 332 HA ALA 43 HA ALA 43 -9.711 -0.426 -29.505 333 HB1 ALA 43 HB1 ALA 43 -11.304 0.255 -27.979 334 HB2 ALA 43 HB2 ALA 43 -11.699 -1.395 -27.495 335 HB3 ALA 43 HB3 ALA 43 -10.189 -0.658 -26.961 336 H LEU 44 H LEU 44 -10.527 -3.737 -28.623 337 HA LEU 44 HA LEU 44 -8.338 -4.447 -27.105 338 HB2 LEU 44 HB2 LEU 44 -10.108 -5.924 -28.990 339 HB3 LEU 44 HB3 LEU 44 -8.669 -6.732 -28.373 340 HG LEU 44 HG LEU 44 -10.807 -7.211 -27.140 341 HD11 LEU 44 HD11 LEU 44 -8.252 -7.038 -26.248 342 HD12 LEU 44 HD12 LEU 44 -9.606 -7.648 -25.297 343 HD13 LEU 44 HD13 LEU 44 -9.084 -5.973 -25.114 344 HD21 LEU 44 HD21 LEU 44 -11.581 -5.520 -25.545 345 HD22 LEU 44 HD22 LEU 44 -11.772 -4.979 -27.213 346 HD23 LEU 44 HD23 LEU 44 -10.445 -4.358 -26.230 347 H ASP 45 H ASP 45 -8.600 -4.175 -30.607 348 HA ASP 45 HA ASP 45 -6.211 -5.371 -31.366 349 HB2 ASP 45 HB2 ASP 45 -7.912 -4.655 -32.976 350 HB3 ASP 45 HB3 ASP 45 -7.572 -2.968 -32.603 351 H ARG 46 H ARG 46 -6.823 -2.141 -30.115 352 HA ARG 46 HA ARG 46 -4.315 -1.007 -30.661 353 HB2 ARG 46 HB2 ARG 46 -6.500 0.096 -29.805 354 HB3 ARG 46 HB3 ARG 46 -5.902 -0.322 -28.205 355 HG2 ARG 46 HG2 ARG 46 -5.133 1.826 -28.445 356 HG3 ARG 46 HG3 ARG 46 -3.740 0.889 -28.991 357 HD2 ARG 46 HD2 ARG 46 -4.221 1.316 -31.263 358 HD3 ARG 46 HD3 ARG 46 -5.835 1.917 -30.885 359 HE ARG 46 HE ARG 46 -3.399 3.404 -30.854 360 HH11 ARG 46 HH11 ARG 46 -6.542 3.130 -29.382 361 HH12 ARG 46 HH12 ARG 46 -6.616 4.799 -28.922 362 HH21 ARG 46 HH21 ARG 46 -3.485 5.603 -30.254 363 HH22 ARG 46 HH22 ARG 46 -4.877 6.205 -29.419 364 H LEU 47 H LEU 47 -5.515 -2.566 -27.690 365 HA LEU 47 HA LEU 47 -3.192 -2.364 -26.179 366 HB2 LEU 47 HB2 LEU 47 -5.070 -4.712 -26.102 367 HB3 LEU 47 HB3 LEU 47 -4.081 -4.077 -24.789 368 HG LEU 47 HG LEU 47 -6.514 -2.770 -26.004 369 HD11 LEU 47 HD11 LEU 47 -7.670 -3.883 -24.479 370 HD12 LEU 47 HD12 LEU 47 -6.682 -3.172 -23.203 371 HD13 LEU 47 HD13 LEU 47 -6.200 -4.697 -23.945 372 HD21 LEU 47 HD21 LEU 47 -6.173 -1.185 -24.039 373 HD22 LEU 47 HD22 LEU 47 -5.093 -0.994 -25.420 374 HD23 LEU 47 HD23 LEU 47 -4.527 -1.813 -23.964 375 H LEU 48 H LEU 48 -4.274 -5.161 -28.114 376 HA LEU 48 HA LEU 48 -2.063 -6.778 -27.774 377 HB2 LEU 48 HB2 LEU 48 -3.668 -6.488 -30.308 378 HB3 LEU 48 HB3 LEU 48 -2.699 -7.881 -29.832 379 HG LEU 48 HG LEU 48 -5.162 -6.933 -28.371 380 HD11 LEU 48 HD11 LEU 48 -5.832 -7.694 -30.539 381 HD12 LEU 48 HD12 LEU 48 -6.212 -8.955 -29.367 382 HD13 LEU 48 HD13 LEU 48 -4.801 -9.120 -30.411 383 HD21 LEU 48 HD21 LEU 48 -3.750 -8.121 -26.882 384 HD22 LEU 48 HD22 LEU 48 -3.384 -9.347 -28.097 385 HD23 LEU 48 HD23 LEU 48 -5.002 -9.250 -27.399 386 H LEU 49 H LEU 49 -2.621 -4.419 -30.385 387 HA LEU 49 HA LEU 49 -0.218 -4.749 -31.736 388 HB2 LEU 49 HB2 LEU 49 -2.331 -3.310 -32.260 389 HB3 LEU 49 HB3 LEU 49 -1.433 -2.037 -31.436 390 HG LEU 49 HG LEU 49 -0.198 -3.528 -33.721 391 HD11 LEU 49 HD11 LEU 49 -2.599 -2.148 -33.965 392 HD12 LEU 49 HD12 LEU 49 -1.492 -2.593 -35.264 393 HD13 LEU 49 HD13 LEU 49 -1.366 -1.008 -34.502 394 HD21 LEU 49 HD21 LEU 49 0.858 -1.231 -33.994 395 HD22 LEU 49 HD22 LEU 49 1.339 -2.165 -32.578 396 HD23 LEU 49 HD23 LEU 49 0.176 -0.849 -32.413 397 H ASP 50 H ASP 50 -0.995 -2.508 -29.090 398 HA ASP 50 HA ASP 50 1.458 -1.205 -28.927 399 HB2 ASP 50 HB2 ASP 50 -0.780 -1.715 -27.027 400 HB3 ASP 50 HB3 ASP 50 0.741 -1.126 -26.361 401 H VAL 51 H VAL 51 0.363 -3.862 -26.808 402 HA VAL 51 HA VAL 51 2.825 -4.350 -25.601 403 HB VAL 51 HB VAL 51 0.661 -5.263 -24.799 404 HG11 VAL 51 HG11 VAL 51 1.001 -7.164 -27.116 405 HG12 VAL 51 HG12 VAL 51 -0.157 -7.376 -25.800 406 HG13 VAL 51 HG13 VAL 51 -0.298 -5.993 -26.887 407 HG21 VAL 51 HG21 VAL 51 1.572 -7.215 -23.853 408 HG22 VAL 51 HG22 VAL 51 2.609 -7.508 -25.249 409 HG23 VAL 51 HG23 VAL 51 2.955 -6.165 -24.160 410 H ARG 52 H ARG 52 1.644 -5.249 -28.728 411 HA ARG 52 HA ARG 52 3.521 -7.365 -29.183 412 HB2 ARG 52 HB2 ARG 52 1.492 -5.908 -30.797 413 HB3 ARG 52 HB3 ARG 52 2.789 -6.712 -31.671 414 HG2 ARG 52 HG2 ARG 52 2.190 -8.795 -30.352 415 HG3 ARG 52 HG3 ARG 52 0.727 -7.934 -29.868 416 HD2 ARG 52 HD2 ARG 52 1.583 -8.478 -32.708 417 HD3 ARG 52 HD3 ARG 52 0.355 -9.379 -31.821 418 HE ARG 52 HE ARG 52 -0.400 -6.719 -31.734 419 HH11 ARG 52 HH11 ARG 52 0.129 -9.162 -34.157 420 HH12 ARG 52 HH12 ARG 52 -1.034 -8.505 -35.260 421 HH21 ARG 52 HH21 ARG 52 -1.934 -5.844 -33.178 422 HH22 ARG 52 HH22 ARG 52 -2.206 -6.617 -34.703 423 H ALA 53 H ALA 53 3.413 -3.912 -29.811 424 HA ALA 53 HA ALA 53 6.019 -4.042 -31.149 425 HB1 ALA 53 HB1 ALA 53 5.594 -1.908 -32.024 426 HB2 ALA 53 HB2 ALA 53 4.045 -2.747 -32.114 427 HB3 ALA 53 HB3 ALA 53 4.339 -1.574 -30.831 428 H ARG 54 H ARG 54 5.555 -4.390 -28.218 429 HA ARG 54 HA ARG 54 6.435 -3.726 -26.224 430 HB2 ARG 54 HB2 ARG 54 8.550 -2.576 -28.055 431 HB3 ARG 54 HB3 ARG 54 8.734 -2.823 -26.324 432 HG2 ARG 54 HG2 ARG 54 8.127 -5.297 -26.914 433 HG3 ARG 54 HG3 ARG 54 8.661 -4.823 -28.527 434 HD2 ARG 54 HD2 ARG 54 10.292 -4.447 -26.021 435 HD3 ARG 54 HD3 ARG 54 10.445 -5.831 -27.103 436 HE ARG 54 HE ARG 54 11.534 -3.231 -27.495 437 HH11 ARG 54 HH11 ARG 54 10.193 -5.972 -29.171 438 HH12 ARG 54 HH12 ARG 54 11.045 -5.653 -30.645 439 HH21 ARG 54 HH21 ARG 54 12.661 -2.800 -29.430 440 HH22 ARG 54 HH22 ARG 54 12.450 -3.848 -30.791 441 H ARG 55 H ARG 55 4.409 -2.117 -26.815 442 HA ARG 55 HA ARG 55 5.387 0.619 -26.335 443 HB2 ARG 55 HB2 ARG 55 2.721 -0.285 -27.440 444 HB3 ARG 55 HB3 ARG 55 3.205 1.386 -27.177 445 HG2 ARG 55 HG2 ARG 55 4.811 -0.410 -28.950 446 HG3 ARG 55 HG3 ARG 55 3.361 0.401 -29.547 447 HD2 ARG 55 HD2 ARG 55 4.289 2.504 -29.332 448 HD3 ARG 55 HD3 ARG 55 5.452 1.979 -28.115 449 HE ARG 55 HE ARG 55 6.063 0.663 -30.492 450 HH11 ARG 55 HH11 ARG 55 6.007 3.908 -29.233 451 HH12 ARG 55 HH12 ARG 55 7.285 4.468 -30.260 452 HH21 ARG 55 HH21 ARG 55 7.747 1.388 -31.849 453 HH22 ARG 55 HH22 ARG 55 8.274 3.034 -31.749 454 H VAL 56 H VAL 56 4.985 -1.570 -24.364 455 HA VAL 56 HA VAL 56 2.858 -0.365 -22.721 456 HB VAL 56 HB VAL 56 4.120 -3.099 -22.465 457 HG11 VAL 56 HG11 VAL 56 1.813 -1.864 -20.965 458 HG12 VAL 56 HG12 VAL 56 2.385 -3.525 -20.799 459 HG13 VAL 56 HG13 VAL 56 3.420 -2.181 -20.312 460 HG21 VAL 56 HG21 VAL 56 1.305 -2.433 -23.296 461 HG22 VAL 56 HG22 VAL 56 2.609 -2.712 -24.449 462 HG23 VAL 56 HG23 VAL 56 2.112 -4.000 -23.352 463 H ASP 57 H ASP 57 3.548 0.962 -21.190 464 HA ASP 57 HA ASP 57 6.186 0.465 -19.974 465 HB2 ASP 57 HB2 ASP 57 6.147 2.932 -19.430 466 HB3 ASP 57 HB3 ASP 57 6.278 2.543 -21.143 467 H GLN 58 H GLN 58 6.318 1.545 -17.718 468 HA GLN 58 HA GLN 58 4.050 0.526 -16.181 469 HB2 GLN 58 HB2 GLN 58 5.510 0.399 -14.317 470 HB3 GLN 58 HB3 GLN 58 6.428 -0.189 -15.697 471 HG2 GLN 58 HG2 GLN 58 7.974 1.167 -14.719 472 HG3 GLN 58 HG3 GLN 58 7.221 2.302 -15.838 473 HE21 GLN 58 HE21 GLN 58 6.568 1.044 -12.580 474 HE22 GLN 58 HE22 GLN 58 6.270 2.586 -11.860 475 H PHE 59 H PHE 59 2.859 1.753 -14.781 476 HA PHE 59 HA PHE 59 3.536 4.380 -13.975 477 HB2 PHE 59 HB2 PHE 59 2.848 4.528 -16.514 478 HB3 PHE 59 HB3 PHE 59 1.215 4.429 -15.862 479 HD1 PHE 59 HD2 PHE 59 4.387 6.270 -15.157 480 HD2 PHE 59 HD1 PHE 59 0.146 6.415 -15.488 481 HE1 PHE 59 HE2 PHE 59 4.436 8.684 -14.683 482 HE2 PHE 59 HE1 PHE 59 0.188 8.830 -15.016 483 HZ PHE 59 HZ PHE 59 2.335 9.967 -14.611 484 H GLN 60 H GLN 60 1.933 5.338 -12.608 485 HA GLN 60 HA GLN 60 -0.304 3.570 -11.897 486 HB2 GLN 60 HB2 GLN 60 1.396 3.096 -10.268 487 HB3 GLN 60 HB3 GLN 60 1.699 4.809 -10.008 488 HG2 GLN 60 HG2 GLN 60 -0.511 5.068 -9.029 489 HG3 GLN 60 HG3 GLN 60 -0.849 3.363 -9.321 490 HE21 GLN 60 HE21 GLN 60 1.640 5.389 -7.803 491 HE22 GLN 60 HE22 GLN 60 1.848 4.388 -6.411 492 H ILE 61 H ILE 61 -1.802 4.926 -12.850 493 HA ILE 61 HA ILE 61 -1.876 7.734 -12.442 494 HB ILE 61 HB ILE 61 -4.127 7.644 -13.404 495 HG12 ILE 61 HG12 ILE 61 -4.657 5.151 -14.250 496 HG13 ILE 61 HG13 ILE 61 -3.823 4.762 -12.749 497 HG21 ILE 61 HG21 ILE 61 -1.728 6.839 -14.629 498 HG22 ILE 61 HG22 ILE 61 -2.998 5.806 -15.284 499 HG23 ILE 61 HG23 ILE 61 -3.144 7.560 -15.392 500 HD11 ILE 61 HD11 ILE 61 -5.565 6.710 -11.958 501 HD12 ILE 61 HD12 ILE 61 -6.488 5.844 -13.186 502 HD13 ILE 61 HD13 ILE 61 -5.824 4.973 -11.804 503 H ASN 62 H ASN 62 -3.051 5.020 -10.638 504 HA ASN 62 HA ASN 62 -4.263 6.879 -8.703 505 HB2 ASN 62 HB2 ASN 62 -5.371 4.379 -9.886 506 HB3 ASN 62 HB3 ASN 62 -5.708 4.697 -8.187 507 HD21 ASN 62 HD21 ASN 62 -7.670 4.578 -10.162 508 HD22 ASN 62 HD22 ASN 62 -8.379 6.145 -10.328 509 H ALA 63 H ALA 63 -3.413 6.762 -6.733 510 HA ALA 63 HA ALA 63 -1.372 4.847 -6.131 511 HB1 ALA 63 HB1 ALA 63 -1.523 7.297 -5.373 512 HB2 ALA 63 HB2 ALA 63 -2.602 6.693 -4.115 513 HB3 ALA 63 HB3 ALA 63 -0.943 6.100 -4.215 514 H SER 64 H SER 64 -4.739 5.295 -5.233 515 HA SER 64 HA SER 64 -4.696 3.238 -3.221 516 HB2 SER 64 HB2 SER 64 -7.257 3.548 -3.421 517 HB3 SER 64 HB3 SER 64 -6.305 4.900 -2.809 518 HG SER 64 HG SER 64 -7.967 5.115 -4.682 519 H ALA 65 H ALA 65 -5.296 3.429 -6.629 520 HA ALA 65 HA ALA 65 -6.785 1.039 -6.929 521 HB1 ALA 65 HB1 ALA 65 -6.607 2.875 -8.620 522 HB2 ALA 65 HB2 ALA 65 -4.982 2.296 -8.988 523 HB3 ALA 65 HB3 ALA 65 -6.374 1.251 -9.267 524 H ALA 66 H ALA 66 -5.577 -0.541 -8.733 525 HA ALA 66 HA ALA 66 -3.564 -1.879 -7.121 526 HB1 ALA 66 HB1 ALA 66 -5.631 -2.852 -8.544 527 HB2 ALA 66 HB2 ALA 66 -4.330 -3.035 -9.721 528 HB3 ALA 66 HB3 ALA 66 -4.196 -3.792 -8.134 529 H GLN 67 H GLN 67 -1.493 -1.387 -7.378 530 HA GLN 67 HA GLN 67 -0.516 -0.067 -9.729 531 HB2 GLN 67 HB2 GLN 67 0.276 0.130 -7.239 532 HB3 GLN 67 HB3 GLN 67 1.286 -1.249 -7.650 533 HG2 GLN 67 HG2 GLN 67 2.449 -0.027 -9.302 534 HG3 GLN 67 HG3 GLN 67 1.282 1.293 -9.247 535 HE21 GLN 67 HE21 GLN 67 3.065 2.705 -8.900 536 HE22 GLN 67 HE22 GLN 67 3.769 2.860 -7.331 537 H ILE 68 H ILE 68 0.185 -0.998 -11.526 538 HA ILE 68 HA ILE 68 1.123 -3.790 -11.389 539 HB ILE 68 HB ILE 68 -0.226 -2.542 -13.780 540 HG12 ILE 68 HG12 ILE 68 -1.790 -2.658 -11.869 541 HG13 ILE 68 HG13 ILE 68 -2.238 -3.771 -13.157 542 HG21 ILE 68 HG21 ILE 68 -0.490 -5.329 -13.761 543 HG22 ILE 68 HG22 ILE 68 0.533 -4.353 -14.814 544 HG23 ILE 68 HG23 ILE 68 1.182 -5.000 -13.307 545 HD11 ILE 68 HD11 ILE 68 -2.528 -4.865 -11.058 546 HD12 ILE 68 HD12 ILE 68 -1.145 -5.593 -11.876 547 HD13 ILE 68 HD13 ILE 68 -0.889 -4.449 -10.559 548 H ILE 69 H ILE 69 3.299 -3.405 -11.331 549 HA ILE 69 HA ILE 69 4.578 -1.496 -13.041 550 HB ILE 69 HB ILE 69 5.787 -3.738 -11.416 551 HG12 ILE 69 HG12 ILE 69 6.456 -1.529 -10.072 552 HG13 ILE 69 HG13 ILE 69 4.962 -0.944 -10.795 553 HG21 ILE 69 HG21 ILE 69 7.842 -2.242 -11.593 554 HG22 ILE 69 HG22 ILE 69 7.387 -3.157 -13.030 555 HG23 ILE 69 HG23 ILE 69 7.001 -1.440 -12.919 556 HD11 ILE 69 HD11 ILE 69 5.320 -2.604 -8.518 557 HD12 ILE 69 HD12 ILE 69 3.828 -1.941 -9.187 558 HD13 ILE 69 HD13 ILE 69 4.427 -3.503 -9.744 559 H VAL 70 H VAL 70 5.807 -1.847 -14.867 560 HA VAL 70 HA VAL 70 5.513 -4.504 -16.113 561 HB VAL 70 HB VAL 70 5.665 -1.822 -17.498 562 HG11 VAL 70 HG11 VAL 70 6.384 -3.017 -19.238 563 HG12 VAL 70 HG12 VAL 70 6.047 -4.548 -18.427 564 HG13 VAL 70 HG13 VAL 70 4.764 -3.710 -19.301 565 HG21 VAL 70 HG21 VAL 70 3.373 -3.705 -16.987 566 HG22 VAL 70 HG22 VAL 70 3.520 -2.017 -16.499 567 HG23 VAL 70 HG23 VAL 70 3.322 -2.428 -18.202 568 H THR 71 H THR 71 7.290 -5.488 -16.912 569 HA THR 71 HA THR 71 9.853 -4.089 -16.561 570 HB THR 71 HB THR 71 10.895 -6.312 -16.459 571 HG1 THR 71 HG1 THR 71 9.800 -7.960 -17.185 572 HG21 THR 71 HG21 THR 71 8.596 -6.421 -14.543 573 HG22 THR 71 HG22 THR 71 9.769 -5.107 -14.444 574 HG23 THR 71 HG23 THR 71 10.300 -6.779 -14.267 575 H ASP 72 H ASP 72 9.528 -3.045 -18.651 576 HA ASP 72 HA ASP 72 9.686 -4.770 -20.995 577 HB2 ASP 72 HB2 ASP 72 9.154 -2.891 -22.283 578 HB3 ASP 72 HB3 ASP 72 8.251 -2.626 -20.793 Start of MODEL 9 1 H1 MET 1 H MET 1 0.782 -2.837 -0.356 2 HA MET 1 HA MET 1 -0.168 -0.882 -2.166 3 HB2 MET 1 HB2 MET 1 1.828 -0.817 -3.662 4 HB3 MET 1 HB3 MET 1 2.067 0.003 -2.124 5 HG2 MET 1 HG2 MET 1 3.118 -2.197 -1.338 6 HG3 MET 1 HG3 MET 1 3.187 -2.613 -3.049 7 HE1 MET 1 HE1 MET 1 5.372 -2.746 -1.236 8 HE2 MET 1 HE2 MET 1 6.756 -1.847 -1.859 9 HE3 MET 1 HE3 MET 1 5.860 -1.234 -0.468 10 H ASP 2 H ASP 2 -0.793 -1.771 -4.140 11 HA ASP 2 HA ASP 2 -0.717 -4.702 -4.210 12 HB2 ASP 2 HB2 ASP 2 -2.892 -3.257 -4.312 13 HB3 ASP 2 HB3 ASP 2 -2.447 -3.030 -6.001 14 H ARG 3 H ARG 3 1.647 -3.557 -4.957 15 HA ARG 3 HA ARG 3 1.883 -2.991 -7.712 16 HB2 ARG 3 HB2 ARG 3 3.959 -4.065 -5.793 17 HB3 ARG 3 HB3 ARG 3 4.294 -3.377 -7.376 18 HG2 ARG 3 HG2 ARG 3 2.772 -1.719 -5.446 19 HG3 ARG 3 HG3 ARG 3 4.495 -1.962 -5.154 20 HD2 ARG 3 HD2 ARG 3 4.917 -1.213 -7.499 21 HD3 ARG 3 HD3 ARG 3 3.204 -0.812 -7.623 22 HE ARG 3 HE ARG 3 3.574 1.055 -6.337 23 HH11 ARG 3 HH11 ARG 3 6.359 -1.029 -6.198 24 HH12 ARG 3 HH12 ARG 3 7.355 0.137 -5.393 25 HH21 ARG 3 HH21 ARG 3 4.875 2.600 -5.276 26 HH22 ARG 3 HH22 ARG 3 6.509 2.201 -4.868 27 H ILE 4 H ILE 4 2.111 -4.265 -9.459 28 HA ILE 4 HA ILE 4 2.559 -7.138 -9.070 29 HB ILE 4 HB ILE 4 0.379 -5.990 -10.816 30 HG12 ILE 4 HG12 ILE 4 0.044 -7.823 -8.448 31 HG13 ILE 4 HG13 ILE 4 0.025 -6.072 -8.276 32 HG21 ILE 4 HG21 ILE 4 -0.202 -8.319 -11.277 33 HG22 ILE 4 HG22 ILE 4 1.436 -7.947 -11.813 34 HG23 ILE 4 HG23 ILE 4 1.181 -8.854 -10.323 35 HD11 ILE 4 HD11 ILE 4 -1.779 -6.323 -10.222 36 HD12 ILE 4 HD12 ILE 4 -1.986 -7.889 -9.437 37 HD13 ILE 4 HD13 ILE 4 -2.191 -6.404 -8.510 38 H PHE 5 H PHE 5 4.429 -7.461 -10.092 39 HA PHE 5 HA PHE 5 5.151 -5.943 -12.441 40 HB2 PHE 5 HB2 PHE 5 7.287 -6.992 -12.276 41 HB3 PHE 5 HB3 PHE 5 6.778 -6.627 -10.631 42 HD1 PHE 5 HD2 PHE 5 5.905 -8.458 -9.185 43 HD2 PHE 5 HD1 PHE 5 7.701 -9.204 -12.971 44 HE1 PHE 5 HE2 PHE 5 6.239 -10.813 -8.558 45 HE2 PHE 5 HE1 PHE 5 8.036 -11.562 -12.351 46 HZ PHE 5 HZ PHE 5 7.306 -12.368 -10.141 47 H MET 6 H MET 6 5.794 -6.936 -14.459 48 HA MET 6 HA MET 6 5.265 -9.603 -15.141 49 HB2 MET 6 HB2 MET 6 3.227 -9.056 -16.635 50 HB3 MET 6 HB3 MET 6 2.962 -9.321 -14.917 51 HG2 MET 6 HG2 MET 6 2.890 -6.918 -14.544 52 HG3 MET 6 HG3 MET 6 3.186 -6.638 -16.259 53 HE1 MET 6 HE1 MET 6 0.201 -9.500 -15.075 54 HE2 MET 6 HE2 MET 6 1.248 -8.706 -13.900 55 HE3 MET 6 HE3 MET 6 -0.424 -8.175 -14.092 56 H THR 7 H THR 7 5.340 -9.965 -17.508 57 HA THR 7 HA THR 7 7.115 -7.999 -18.733 58 HB THR 7 HB THR 7 7.599 -9.737 -20.398 59 HG1 THR 7 HG1 THR 7 6.638 -11.912 -19.667 60 HG21 THR 7 HG21 THR 7 7.717 -10.818 -17.580 61 HG22 THR 7 HG22 THR 7 8.868 -9.679 -18.280 62 HG23 THR 7 HG23 THR 7 8.732 -11.311 -18.935 63 H ARG 8 H ARG 8 6.834 -8.137 -21.323 64 HA ARG 8 HA ARG 8 4.647 -6.562 -21.960 65 HB2 ARG 8 HB2 ARG 8 6.260 -8.364 -23.775 66 HB3 ARG 8 HB3 ARG 8 5.165 -7.104 -24.328 67 HG2 ARG 8 HG2 ARG 8 6.552 -5.399 -23.608 68 HG3 ARG 8 HG3 ARG 8 7.402 -6.439 -22.464 69 HD2 ARG 8 HD2 ARG 8 7.558 -7.038 -25.383 70 HD3 ARG 8 HD3 ARG 8 8.531 -5.726 -24.719 71 HE ARG 8 HE ARG 8 8.890 -8.009 -23.132 72 HH11 ARG 8 HH11 ARG 8 9.626 -6.833 -26.325 73 HH12 ARG 8 HH12 ARG 8 11.061 -7.790 -26.489 74 HH21 ARG 8 HH21 ARG 8 10.777 -9.274 -23.336 75 HH22 ARG 8 HH22 ARG 8 11.714 -9.179 -24.789 76 H THR 9 H THR 9 5.047 -10.065 -22.328 77 HA THR 9 HA THR 9 2.578 -10.555 -23.591 78 HB THR 9 HB THR 9 3.930 -12.537 -21.772 79 HG1 THR 9 HG1 THR 9 5.361 -12.982 -23.436 80 HG21 THR 9 HG21 THR 9 2.650 -14.068 -22.792 81 HG22 THR 9 HG22 THR 9 2.979 -13.397 -24.389 82 HG23 THR 9 HG23 THR 9 1.701 -12.707 -23.388 83 H GLU 10 H GLU 10 3.512 -11.063 -20.182 84 HA GLU 10 HA GLU 10 0.943 -11.701 -19.261 85 HB2 GLU 10 HB2 GLU 10 3.449 -10.723 -17.947 86 HB3 GLU 10 HB3 GLU 10 1.962 -10.810 -17.014 87 HG2 GLU 10 HG2 GLU 10 1.777 -13.204 -17.632 88 HG3 GLU 10 HG3 GLU 10 3.352 -13.080 -18.413 89 H ALA 11 H ALA 11 2.311 -8.703 -20.175 90 HA ALA 11 HA ALA 11 1.049 -6.837 -18.599 91 HB1 ALA 11 HB1 ALA 11 2.659 -6.586 -20.647 92 HB2 ALA 11 HB2 ALA 11 1.154 -6.372 -21.542 93 HB3 ALA 11 HB3 ALA 11 1.552 -5.283 -20.213 94 H LEU 12 H LEU 12 -0.325 -8.884 -21.063 95 HA LEU 12 HA LEU 12 -2.655 -7.581 -21.719 96 HB2 LEU 12 HB2 LEU 12 -2.338 -10.531 -21.191 97 HB3 LEU 12 HB3 LEU 12 -3.632 -9.782 -22.123 98 HG LEU 12 HG LEU 12 -0.820 -9.356 -23.007 99 HD11 LEU 12 HD11 LEU 12 -2.347 -11.846 -23.720 100 HD12 LEU 12 HD12 LEU 12 -1.105 -11.804 -22.470 101 HD13 LEU 12 HD13 LEU 12 -0.687 -11.425 -24.140 102 HD21 LEU 12 HD21 LEU 12 -3.551 -9.419 -24.203 103 HD22 LEU 12 HD22 LEU 12 -2.152 -9.743 -25.227 104 HD23 LEU 12 HD23 LEU 12 -2.278 -8.209 -24.363 105 H GLU 13 H GLU 13 -2.094 -9.708 -18.926 106 HA GLU 13 HA GLU 13 -4.631 -9.692 -17.830 107 HB2 GLU 13 HB2 GLU 13 -1.928 -9.770 -16.492 108 HB3 GLU 13 HB3 GLU 13 -3.435 -9.987 -15.613 109 HG2 GLU 13 HG2 GLU 13 -2.678 -11.698 -17.959 110 HG3 GLU 13 HG3 GLU 13 -2.204 -12.082 -16.305 111 H PHE 14 H PHE 14 -2.075 -7.281 -17.555 112 HA PHE 14 HA PHE 14 -3.392 -5.676 -15.614 113 HB2 PHE 14 HB2 PHE 14 -1.031 -5.425 -15.826 114 HB3 PHE 14 HB3 PHE 14 -1.152 -5.112 -17.555 115 HD1 PHE 14 HD2 PHE 14 -3.084 -3.659 -14.729 116 HD2 PHE 14 HD1 PHE 14 -0.280 -2.992 -17.861 117 HE1 PHE 14 HE2 PHE 14 -3.163 -1.241 -14.281 118 HE2 PHE 14 HE1 PHE 14 -0.354 -0.573 -17.417 119 HZ PHE 14 HZ PHE 14 -1.798 0.305 -15.626 120 H LEU 15 H LEU 15 -3.056 -5.406 -19.144 121 HA LEU 15 HA LEU 15 -4.456 -3.054 -19.543 122 HB2 LEU 15 HB2 LEU 15 -4.483 -5.491 -21.317 123 HB3 LEU 15 HB3 LEU 15 -4.882 -3.845 -21.805 124 HG LEU 15 HG LEU 15 -2.159 -4.713 -20.842 125 HD11 LEU 15 HD11 LEU 15 -1.566 -5.294 -22.921 126 HD12 LEU 15 HD12 LEU 15 -2.508 -3.999 -23.659 127 HD13 LEU 15 HD13 LEU 15 -3.297 -5.502 -23.185 128 HD21 LEU 15 HD21 LEU 15 -2.390 -2.398 -20.496 129 HD22 LEU 15 HD22 LEU 15 -3.262 -2.174 -22.013 130 HD23 LEU 15 HD23 LEU 15 -1.540 -2.554 -22.034 131 H LEU 16 H LEU 16 -5.695 -6.353 -19.227 132 HA LEU 16 HA LEU 16 -8.431 -5.513 -19.604 133 HB2 LEU 16 HB2 LEU 16 -6.991 -8.059 -19.236 134 HB3 LEU 16 HB3 LEU 16 -8.638 -8.014 -18.610 135 HG LEU 16 HG LEU 16 -7.893 -7.353 -21.457 136 HD11 LEU 16 HD11 LEU 16 -8.990 -9.595 -21.904 137 HD12 LEU 16 HD12 LEU 16 -8.771 -9.930 -20.187 138 HD13 LEU 16 HD13 LEU 16 -7.368 -9.633 -21.213 139 HD21 LEU 16 HD21 LEU 16 -10.601 -8.239 -20.783 140 HD22 LEU 16 HD22 LEU 16 -10.062 -6.918 -21.820 141 HD23 LEU 16 HD23 LEU 16 -10.146 -6.690 -20.072 142 H LYS 17 H LYS 17 -6.251 -6.047 -16.959 143 HA LYS 17 HA LYS 17 -8.105 -6.410 -14.879 144 HB2 LYS 17 HB2 LYS 17 -5.804 -6.889 -14.463 145 HB3 LYS 17 HB3 LYS 17 -5.315 -5.261 -14.915 146 HG2 LYS 17 HG2 LYS 17 -6.474 -4.376 -12.946 147 HG3 LYS 17 HG3 LYS 17 -6.929 -6.019 -12.487 148 HD2 LYS 17 HD2 LYS 17 -4.303 -6.385 -12.725 149 HD3 LYS 17 HD3 LYS 17 -4.292 -4.660 -12.351 150 HE2 LYS 17 HE2 LYS 17 -5.499 -6.880 -10.707 151 HE3 LYS 17 HE3 LYS 17 -4.092 -5.898 -10.302 152 HZ1 LYS 17 HZ1 LYS 17 -5.759 -4.900 -9.099 153 HZ2 LYS 17 HZ2 LYS 17 -6.938 -5.153 -10.285 154 HZ3 LYS 17 HZ3 LYS 17 -5.762 -3.956 -10.503 155 H ALA 18 H ALA 18 -6.495 -3.445 -16.024 156 HA ALA 18 HA ALA 18 -7.743 -1.660 -14.277 157 HB1 ALA 18 HB1 ALA 18 -7.344 -0.289 -16.695 158 HB2 ALA 18 HB2 ALA 18 -6.280 -0.333 -15.288 159 HB3 ALA 18 HB3 ALA 18 -6.065 -1.500 -16.593 160 H HIS 19 H HIS 19 -8.784 -2.936 -17.393 161 HA HIS 19 HA HIS 19 -10.971 -1.236 -17.823 162 HB2 HIS 19 HB2 HIS 19 -10.169 -3.937 -18.792 163 HB3 HIS 19 HB3 HIS 19 -11.836 -3.435 -19.054 164 HD1 HIS 19 HD1 HIS 19 -8.980 -1.004 -19.251 165 HD2 HIS 19 HD2 HIS 19 -11.533 -3.079 -21.790 166 HE1 HIS 19 HE1 HIS 19 -8.616 -0.009 -21.532 167 H GLN 20 H GLN 20 -10.824 -4.430 -16.262 168 HA GLN 20 HA GLN 20 -13.503 -4.757 -15.671 169 HB2 GLN 20 HB2 GLN 20 -11.796 -6.492 -15.317 170 HB3 GLN 20 HB3 GLN 20 -11.141 -5.572 -13.969 171 HG2 GLN 20 HG2 GLN 20 -12.492 -7.338 -13.105 172 HG3 GLN 20 HG3 GLN 20 -13.316 -5.808 -12.812 173 HE21 GLN 20 HE21 GLN 20 -13.576 -8.904 -14.084 174 HE22 GLN 20 HE22 GLN 20 -15.096 -8.725 -14.886 175 H THR 21 H THR 21 -11.081 -2.827 -14.019 176 HA THR 21 HA THR 21 -12.787 -2.204 -11.787 177 HB THR 21 HB THR 21 -10.354 -0.605 -12.523 178 HG1 THR 21 HG1 THR 21 -10.428 -3.203 -11.352 179 HG21 THR 21 HG21 THR 21 -11.744 0.073 -10.592 180 HG22 THR 21 HG22 THR 21 -10.115 -0.406 -10.117 181 HG23 THR 21 HG23 THR 21 -11.467 -1.509 -9.865 182 H ALA 22 H ALA 22 -11.842 -0.649 -14.802 183 HA ALA 22 HA ALA 22 -12.947 1.890 -14.281 184 HB1 ALA 22 HB1 ALA 22 -12.709 0.617 -16.998 185 HB2 ALA 22 HB2 ALA 22 -12.675 2.334 -16.593 186 HB3 ALA 22 HB3 ALA 22 -11.334 1.290 -16.122 187 H VAL 23 H VAL 23 -14.291 -0.990 -15.860 188 HA VAL 23 HA VAL 23 -16.764 0.130 -16.587 189 HB VAL 23 HB VAL 23 -16.246 -2.760 -15.882 190 HG11 VAL 23 HG11 VAL 23 -18.321 -1.432 -17.622 191 HG12 VAL 23 HG12 VAL 23 -18.064 -3.175 -17.514 192 HG13 VAL 23 HG13 VAL 23 -18.596 -2.271 -16.095 193 HG21 VAL 23 HG21 VAL 23 -14.815 -2.792 -17.587 194 HG22 VAL 23 HG22 VAL 23 -16.185 -2.469 -18.650 195 HG23 VAL 23 HG23 VAL 23 -15.212 -1.133 -18.035 196 H ASP 24 H ASP 24 -15.587 -1.184 -13.578 197 HA ASP 24 HA ASP 24 -18.217 -1.284 -12.372 198 HB2 ASP 24 HB2 ASP 24 -16.132 -2.790 -11.866 199 HB3 ASP 24 HB3 ASP 24 -15.668 -1.463 -10.805 200 H LYS 25 H LYS 25 -15.580 0.939 -12.635 201 HA LYS 25 HA LYS 25 -15.998 2.540 -10.387 202 HB2 LYS 25 HB2 LYS 25 -14.130 2.605 -12.201 203 HB3 LYS 25 HB3 LYS 25 -15.210 3.714 -13.035 204 HG2 LYS 25 HG2 LYS 25 -14.948 5.366 -11.473 205 HG3 LYS 25 HG3 LYS 25 -14.558 4.232 -10.178 206 HD2 LYS 25 HD2 LYS 25 -12.379 3.803 -11.230 207 HD3 LYS 25 HD3 LYS 25 -12.772 4.966 -12.499 208 HE2 LYS 25 HE2 LYS 25 -13.193 6.534 -10.401 209 HE3 LYS 25 HE3 LYS 25 -12.053 5.417 -9.651 210 HZ1 LYS 25 HZ1 LYS 25 -11.393 6.567 -12.269 211 HZ2 LYS 25 HZ2 LYS 25 -10.364 6.077 -11.020 212 HZ3 LYS 25 HZ3 LYS 25 -11.215 7.533 -10.891 213 H ILE 26 H ILE 26 -17.437 2.734 -13.625 214 HA ILE 26 HA ILE 26 -18.990 5.044 -13.106 215 HB ILE 26 HB ILE 26 -20.284 4.385 -15.116 216 HG12 ILE 26 HG12 ILE 26 -18.469 1.964 -15.084 217 HG13 ILE 26 HG13 ILE 26 -20.206 1.951 -14.799 218 HG21 ILE 26 HG21 ILE 26 -18.671 5.156 -16.491 219 HG22 ILE 26 HG22 ILE 26 -17.786 5.372 -14.982 220 HG23 ILE 26 HG23 ILE 26 -17.500 3.942 -15.974 221 HD11 ILE 26 HD11 ILE 26 -18.795 2.647 -17.361 222 HD12 ILE 26 HD12 ILE 26 -19.779 1.220 -17.031 223 HD13 ILE 26 HD13 ILE 26 -20.531 2.814 -17.098 224 H GLY 27 H GLY 27 -19.394 1.711 -12.321 225 HA2 GLY 27 HA2 GLY 27 -20.933 0.861 -10.776 226 HA3 GLY 27 HA3 GLY 27 -21.866 2.343 -10.924 227 H HIS 28 H HIS 28 -20.799 0.374 -13.632 228 HA HIS 28 HA HIS 28 -23.426 0.252 -14.715 229 HB2 HIS 28 HB2 HIS 28 -20.739 -0.499 -15.533 230 HB3 HIS 28 HB3 HIS 28 -21.930 -1.701 -16.021 231 HD1 HIS 28 HD1 HIS 28 -22.773 1.952 -15.906 232 HD2 HIS 28 HD2 HIS 28 -21.848 -0.976 -18.705 233 HE1 HIS 28 HE1 HIS 28 -23.287 2.976 -18.145 234 HA PRO 29 HA PRO 29 -25.075 -3.409 -12.949 235 HB2 PRO 29 HB2 PRO 29 -26.450 -4.461 -15.041 236 HB3 PRO 29 HB3 PRO 29 -26.978 -3.013 -14.175 237 HG2 PRO 29 HG2 PRO 29 -25.508 -3.236 -16.773 238 HG3 PRO 29 HG3 PRO 29 -26.857 -2.170 -16.339 239 HD2 PRO 29 HD2 PRO 29 -24.286 -1.321 -16.387 240 HD3 PRO 29 HD3 PRO 29 -25.486 -0.670 -15.251 241 H SER 30 H SER 30 -25.430 -5.853 -13.558 242 HA SER 30 HA SER 30 -22.924 -6.842 -14.754 243 HB2 SER 30 HB2 SER 30 -23.098 -7.140 -12.268 244 HB3 SER 30 HB3 SER 30 -24.500 -8.174 -12.542 245 HG SER 30 HG SER 30 -22.004 -8.668 -13.774 246 H HIS 31 H HIS 31 -25.684 -6.385 -15.884 247 HA HIS 31 HA HIS 31 -27.048 -8.768 -16.310 248 HB2 HIS 31 HB2 HIS 31 -27.641 -6.331 -17.003 249 HB3 HIS 31 HB3 HIS 31 -26.778 -6.717 -18.489 250 HD1 HIS 31 HD1 HIS 31 -29.537 -8.357 -16.428 251 HD2 HIS 31 HD2 HIS 31 -28.460 -7.645 -20.377 252 HE1 HIS 31 HE1 HIS 31 -31.403 -9.313 -17.817 253 H LYS 32 H LYS 32 -27.180 -10.008 -18.366 254 HA LYS 32 HA LYS 32 -24.771 -11.275 -18.951 255 HB2 LYS 32 HB2 LYS 32 -27.237 -11.160 -20.697 256 HB3 LYS 32 HB3 LYS 32 -25.964 -12.371 -20.777 257 HG2 LYS 32 HG2 LYS 32 -26.640 -13.406 -18.832 258 HG3 LYS 32 HG3 LYS 32 -27.462 -11.966 -18.228 259 HD2 LYS 32 HD2 LYS 32 -28.966 -12.351 -20.361 260 HD3 LYS 32 HD3 LYS 32 -28.389 -14.010 -20.187 261 HE2 LYS 32 HE2 LYS 32 -29.639 -12.440 -17.941 262 HE3 LYS 32 HE3 LYS 32 -30.560 -13.482 -19.024 263 HZ1 LYS 32 HZ1 LYS 32 -28.375 -14.942 -18.087 264 HZ2 LYS 32 HZ2 LYS 32 -30.014 -15.195 -17.758 265 HZ3 LYS 32 HZ3 LYS 32 -29.092 -14.203 -16.745 266 H GLN 33 H GLN 33 -23.465 -11.294 -20.835 267 HA GLN 33 HA GLN 33 -22.632 -8.818 -21.757 268 HB2 GLN 33 HB2 GLN 33 -21.399 -10.063 -23.500 269 HB3 GLN 33 HB3 GLN 33 -21.211 -10.776 -21.904 270 HG2 GLN 33 HG2 GLN 33 -23.024 -12.396 -22.528 271 HG3 GLN 33 HG3 GLN 33 -22.914 -11.767 -24.171 272 HE21 GLN 33 HE21 GLN 33 -21.591 -13.876 -21.857 273 HE22 GLN 33 HE22 GLN 33 -20.265 -14.458 -22.797 274 H THR 34 H THR 34 -22.547 -8.204 -24.151 275 HA THR 34 HA THR 34 -25.140 -8.689 -25.452 276 HB THR 34 HB THR 34 -24.762 -6.154 -26.213 277 HG1 THR 34 HG1 THR 34 -23.872 -6.096 -23.518 278 HG21 THR 34 HG21 THR 34 -26.285 -5.498 -24.314 279 HG22 THR 34 HG22 THR 34 -26.078 -7.132 -23.683 280 HG23 THR 34 HG23 THR 34 -26.821 -6.884 -25.263 281 HA PRO 35 HA PRO 35 -22.915 -9.231 -29.196 282 HB2 PRO 35 HB2 PRO 35 -24.586 -8.119 -31.024 283 HB3 PRO 35 HB3 PRO 35 -24.930 -9.653 -30.217 284 HG2 PRO 35 HG2 PRO 35 -25.966 -6.913 -29.599 285 HG3 PRO 35 HG3 PRO 35 -26.839 -8.456 -29.643 286 HD2 PRO 35 HD2 PRO 35 -26.019 -7.312 -27.330 287 HD3 PRO 35 HD3 PRO 35 -26.112 -9.072 -27.544 288 H ALA 36 H ALA 36 -24.064 -5.973 -28.510 289 HA ALA 36 HA ALA 36 -22.630 -4.582 -30.473 290 HB1 ALA 36 HB1 ALA 36 -23.281 -3.549 -27.720 291 HB2 ALA 36 HB2 ALA 36 -23.046 -2.614 -29.197 292 HB3 ALA 36 HB3 ALA 36 -24.456 -3.659 -29.031 293 H ASP 37 H ASP 37 -21.614 -6.028 -27.494 294 HA ASP 37 HA ASP 37 -19.318 -4.579 -26.908 295 HB2 ASP 37 HB2 ASP 37 -20.480 -6.627 -25.708 296 HB3 ASP 37 HB3 ASP 37 -19.281 -7.552 -26.608 297 H HIS 38 H HIS 38 -19.932 -6.864 -29.446 298 HA HIS 38 HA HIS 38 -17.382 -7.702 -30.118 299 HB2 HIS 38 HB2 HIS 38 -19.549 -8.455 -31.163 300 HB3 HIS 38 HB3 HIS 38 -19.529 -6.974 -32.117 301 HD1 HIS 38 HD1 HIS 38 -17.214 -6.716 -33.614 302 HD2 HIS 38 HD2 HIS 38 -18.316 -10.528 -32.383 303 HE1 HIS 38 HE1 HIS 38 -15.973 -8.296 -35.126 304 H ALA 39 H ALA 39 -18.923 -4.615 -30.662 305 HA ALA 39 HA ALA 39 -17.034 -3.629 -32.551 306 HB1 ALA 39 HB1 ALA 39 -18.921 -2.383 -32.705 307 HB2 ALA 39 HB2 ALA 39 -19.273 -2.499 -30.980 308 HB3 ALA 39 HB3 ALA 39 -18.047 -1.369 -31.556 309 H ALA 40 H ALA 40 -17.226 -3.667 -29.056 310 HA ALA 40 HA ALA 40 -15.387 -1.698 -28.395 311 HB1 ALA 40 HB1 ALA 40 -16.786 -2.901 -26.767 312 HB2 ALA 40 HB2 ALA 40 -15.781 -4.334 -26.984 313 HB3 ALA 40 HB3 ALA 40 -15.086 -2.867 -26.296 314 H ILE 41 H ILE 41 -14.873 -4.873 -29.722 315 HA ILE 41 HA ILE 41 -12.230 -5.355 -29.044 316 HB ILE 41 HB ILE 41 -13.568 -5.991 -31.676 317 HG12 ILE 41 HG12 ILE 41 -13.261 -7.758 -29.245 318 HG13 ILE 41 HG13 ILE 41 -14.711 -6.818 -29.577 319 HG21 ILE 41 HG21 ILE 41 -11.328 -6.370 -32.090 320 HG22 ILE 41 HG22 ILE 41 -10.995 -6.853 -30.428 321 HG23 ILE 41 HG23 ILE 41 -11.863 -7.945 -31.506 322 HD11 ILE 41 HD11 ILE 41 -14.124 -9.393 -30.451 323 HD12 ILE 41 HD12 ILE 41 -15.468 -8.370 -30.958 324 HD13 ILE 41 HD13 ILE 41 -13.963 -8.368 -31.877 325 H GLU 42 H GLU 42 -13.563 -3.093 -31.327 326 HA GLU 42 HA GLU 42 -11.405 -2.606 -32.989 327 HB2 GLU 42 HB2 GLU 42 -12.380 -0.473 -33.453 328 HB3 GLU 42 HB3 GLU 42 -13.696 -1.608 -33.189 329 HG2 GLU 42 HG2 GLU 42 -13.695 -0.749 -30.776 330 HG3 GLU 42 HG3 GLU 42 -12.722 0.583 -31.397 331 H ALA 43 H ALA 43 -11.948 -1.584 -29.686 332 HA ALA 43 HA ALA 43 -9.683 0.212 -29.669 333 HB1 ALA 43 HB1 ALA 43 -10.203 0.445 -27.258 334 HB2 ALA 43 HB2 ALA 43 -11.580 0.788 -28.307 335 HB3 ALA 43 HB3 ALA 43 -11.484 -0.752 -27.453 336 H LEU 44 H LEU 44 -10.370 -3.097 -28.826 337 HA LEU 44 HA LEU 44 -8.177 -3.588 -27.133 338 HB2 LEU 44 HB2 LEU 44 -9.982 -5.269 -28.802 339 HB3 LEU 44 HB3 LEU 44 -8.518 -5.998 -28.143 340 HG LEU 44 HG LEU 44 -9.380 -5.124 -25.869 341 HD11 LEU 44 HD11 LEU 44 -11.335 -4.086 -25.807 342 HD12 LEU 44 HD12 LEU 44 -12.119 -5.470 -26.569 343 HD13 LEU 44 HD13 LEU 44 -11.435 -4.186 -27.565 344 HD21 LEU 44 HD21 LEU 44 -10.787 -7.374 -27.304 345 HD22 LEU 44 HD22 LEU 44 -10.705 -7.155 -25.556 346 HD23 LEU 44 HD23 LEU 44 -9.234 -7.482 -26.474 347 H ASP 45 H ASP 45 -8.446 -3.306 -30.577 348 HA ASP 45 HA ASP 45 -6.212 -4.724 -31.433 349 HB2 ASP 45 HB2 ASP 45 -7.928 -3.674 -32.915 350 HB3 ASP 45 HB3 ASP 45 -7.202 -2.105 -32.576 351 H ARG 46 H ARG 46 -6.451 -1.375 -30.290 352 HA ARG 46 HA ARG 46 -3.817 -0.594 -30.748 353 HB2 ARG 46 HB2 ARG 46 -5.895 0.755 -29.912 354 HB3 ARG 46 HB3 ARG 46 -5.299 0.332 -28.313 355 HG2 ARG 46 HG2 ARG 46 -3.317 1.541 -28.606 356 HG3 ARG 46 HG3 ARG 46 -3.535 1.638 -30.354 357 HD2 ARG 46 HD2 ARG 46 -5.242 3.234 -30.164 358 HD3 ARG 46 HD3 ARG 46 -5.492 2.887 -28.454 359 HE ARG 46 HE ARG 46 -2.911 3.809 -28.647 360 HH11 ARG 46 HH11 ARG 46 -6.079 5.021 -29.431 361 HH12 ARG 46 HH12 ARG 46 -5.652 6.679 -29.169 362 HH21 ARG 46 HH21 ARG 46 -2.337 5.989 -28.299 363 HH22 ARG 46 HH22 ARG 46 -3.523 7.229 -28.526 364 H LEU 47 H LEU 47 -5.258 -2.087 -27.862 365 HA LEU 47 HA LEU 47 -2.941 -2.110 -26.285 366 HB2 LEU 47 HB2 LEU 47 -5.092 -4.208 -26.197 367 HB3 LEU 47 HB3 LEU 47 -4.066 -3.648 -24.878 368 HG LEU 47 HG LEU 47 -6.275 -2.071 -26.199 369 HD11 LEU 47 HD11 LEU 47 -6.396 -2.722 -23.340 370 HD12 LEU 47 HD12 LEU 47 -6.569 -4.100 -24.428 371 HD13 LEU 47 HD13 LEU 47 -7.665 -2.725 -24.565 372 HD21 LEU 47 HD21 LEU 47 -4.559 -0.564 -25.491 373 HD22 LEU 47 HD22 LEU 47 -4.391 -1.396 -23.945 374 HD23 LEU 47 HD23 LEU 47 -5.864 -0.495 -24.307 375 H LEU 48 H LEU 48 -4.376 -4.812 -28.126 376 HA LEU 48 HA LEU 48 -2.359 -6.661 -27.764 377 HB2 LEU 48 HB2 LEU 48 -3.996 -6.267 -30.264 378 HB3 LEU 48 HB3 LEU 48 -3.153 -7.741 -29.792 379 HG LEU 48 HG LEU 48 -5.445 -6.529 -28.251 380 HD11 LEU 48 HD11 LEU 48 -5.764 -9.052 -29.758 381 HD12 LEU 48 HD12 LEU 48 -5.745 -7.558 -30.695 382 HD13 LEU 48 HD13 LEU 48 -6.933 -7.778 -29.410 383 HD21 LEU 48 HD21 LEU 48 -5.500 -8.776 -27.204 384 HD22 LEU 48 HD22 LEU 48 -4.021 -7.879 -26.860 385 HD23 LEU 48 HD23 LEU 48 -4.009 -9.173 -28.059 386 H LEU 49 H LEU 49 -2.708 -4.396 -30.496 387 HA LEU 49 HA LEU 49 -0.371 -5.042 -31.843 388 HB2 LEU 49 HB2 LEU 49 -2.260 -3.507 -32.567 389 HB3 LEU 49 HB3 LEU 49 -1.460 -2.248 -31.628 390 HG LEU 49 HG LEU 49 0.075 -3.687 -33.747 391 HD11 LEU 49 HD11 LEU 49 -1.163 -1.240 -34.687 392 HD12 LEU 49 HD12 LEU 49 -2.348 -2.498 -34.339 393 HD13 LEU 49 HD13 LEU 49 -1.032 -2.815 -35.469 394 HD21 LEU 49 HD21 LEU 49 0.805 -1.130 -33.894 395 HD22 LEU 49 HD22 LEU 49 1.508 -2.251 -32.727 396 HD23 LEU 49 HD23 LEU 49 0.225 -1.148 -32.228 397 H ASP 50 H ASP 50 -0.872 -2.632 -29.285 398 HA ASP 50 HA ASP 50 1.670 -1.528 -29.215 399 HB2 ASP 50 HB2 ASP 50 -0.480 -1.901 -27.166 400 HB3 ASP 50 HB3 ASP 50 1.094 -1.297 -26.656 401 H VAL 51 H VAL 51 0.436 -4.273 -27.306 402 HA VAL 51 HA VAL 51 2.787 -4.885 -25.950 403 HB VAL 51 HB VAL 51 0.651 -6.807 -26.886 404 HG11 VAL 51 HG11 VAL 51 1.515 -7.965 -24.689 405 HG12 VAL 51 HG12 VAL 51 2.323 -8.235 -26.234 406 HG13 VAL 51 HG13 VAL 51 2.997 -7.091 -25.073 407 HG21 VAL 51 HG21 VAL 51 0.436 -6.272 -24.135 408 HG22 VAL 51 HG22 VAL 51 0.624 -4.710 -24.932 409 HG23 VAL 51 HG23 VAL 51 -0.677 -5.796 -25.418 410 H ARG 52 H ARG 52 1.569 -6.277 -28.997 411 HA ARG 52 HA ARG 52 3.714 -7.985 -29.500 412 HB2 ARG 52 HB2 ARG 52 1.548 -8.010 -30.719 413 HB3 ARG 52 HB3 ARG 52 2.028 -6.534 -31.546 414 HG2 ARG 52 HG2 ARG 52 3.539 -7.604 -32.879 415 HG3 ARG 52 HG3 ARG 52 3.841 -8.881 -31.699 416 HD2 ARG 52 HD2 ARG 52 1.142 -8.672 -32.946 417 HD3 ARG 52 HD3 ARG 52 2.466 -9.352 -33.891 418 HE ARG 52 HE ARG 52 2.471 -10.625 -31.419 419 HH11 ARG 52 HH11 ARG 52 0.388 -10.327 -34.193 420 HH12 ARG 52 HH12 ARG 52 -0.329 -11.890 -33.986 421 HH21 ARG 52 HH21 ARG 52 1.534 -12.685 -31.135 422 HH22 ARG 52 HH22 ARG 52 0.323 -13.230 -32.246 423 H ALA 53 H ALA 53 3.333 -4.554 -30.099 424 HA ALA 53 HA ALA 53 5.687 -4.321 -31.724 425 HB1 ALA 53 HB1 ALA 53 3.553 -2.779 -31.545 426 HB2 ALA 53 HB2 ALA 53 4.538 -1.960 -30.332 427 HB3 ALA 53 HB3 ALA 53 5.130 -2.122 -31.985 428 H ARG 54 H ARG 54 5.151 -4.685 -28.421 429 HA ARG 54 HA ARG 54 6.508 -4.599 -26.598 430 HB2 ARG 54 HB2 ARG 54 8.801 -4.077 -28.485 431 HB3 ARG 54 HB3 ARG 54 8.858 -4.827 -26.896 432 HG2 ARG 54 HG2 ARG 54 7.733 -6.784 -27.720 433 HG3 ARG 54 HG3 ARG 54 7.487 -6.022 -29.293 434 HD2 ARG 54 HD2 ARG 54 10.263 -6.234 -28.251 435 HD3 ARG 54 HD3 ARG 54 9.486 -7.700 -28.848 436 HE ARG 54 HE ARG 54 9.088 -5.779 -30.787 437 HH11 ARG 54 HH11 ARG 54 11.807 -7.320 -29.251 438 HH12 ARG 54 HH12 ARG 54 12.837 -7.176 -30.637 439 HH21 ARG 54 HH21 ARG 54 10.436 -5.584 -32.618 440 HH22 ARG 54 HH22 ARG 54 12.057 -6.188 -32.550 441 H ARG 55 H ARG 55 5.158 -2.344 -26.947 442 HA ARG 55 HA ARG 55 7.128 -0.223 -26.395 443 HB2 ARG 55 HB2 ARG 55 4.457 0.031 -27.789 444 HB3 ARG 55 HB3 ARG 55 5.462 1.389 -27.303 445 HG2 ARG 55 HG2 ARG 55 6.643 -0.715 -29.043 446 HG3 ARG 55 HG3 ARG 55 5.533 0.461 -29.749 447 HD2 ARG 55 HD2 ARG 55 6.926 2.285 -28.924 448 HD3 ARG 55 HD3 ARG 55 8.022 1.122 -28.179 449 HE ARG 55 HE ARG 55 9.010 0.843 -30.213 450 HH11 ARG 55 HH11 ARG 55 5.822 2.155 -30.701 451 HH12 ARG 55 HH12 ARG 55 6.022 2.348 -32.411 452 HH21 ARG 55 HH21 ARG 55 9.285 1.093 -32.463 453 HH22 ARG 55 HH22 ARG 55 7.991 1.743 -33.413 454 H VAL 56 H VAL 56 5.697 -2.116 -24.604 455 HA VAL 56 HA VAL 56 3.833 -0.415 -23.156 456 HB VAL 56 HB VAL 56 4.799 -3.183 -22.431 457 HG11 VAL 56 HG11 VAL 56 2.356 -1.657 -21.536 458 HG12 VAL 56 HG12 VAL 56 2.839 -3.272 -21.012 459 HG13 VAL 56 HG13 VAL 56 3.825 -1.873 -20.584 460 HG21 VAL 56 HG21 VAL 56 2.617 -3.928 -23.382 461 HG22 VAL 56 HG22 VAL 56 2.406 -2.307 -24.042 462 HG23 VAL 56 HG23 VAL 56 3.751 -3.311 -24.583 463 H ASP 57 H ASP 57 4.266 0.661 -21.321 464 HA ASP 57 HA ASP 57 6.913 0.262 -20.087 465 HB2 ASP 57 HB2 ASP 57 6.355 2.466 -21.448 466 HB3 ASP 57 HB3 ASP 57 5.564 2.921 -19.941 467 H GLN 58 H GLN 58 6.878 1.483 -17.829 468 HA GLN 58 HA GLN 58 4.676 0.257 -16.352 469 HB2 GLN 58 HB2 GLN 58 6.071 0.561 -14.375 470 HB3 GLN 58 HB3 GLN 58 6.972 -0.257 -15.645 471 HG2 GLN 58 HG2 GLN 58 7.189 2.697 -15.448 472 HG3 GLN 58 HG3 GLN 58 8.019 1.710 -14.246 473 HE21 GLN 58 HE21 GLN 58 9.792 2.976 -15.430 474 HE22 GLN 58 HE22 GLN 58 10.548 2.150 -16.746 475 H PHE 59 H PHE 59 3.403 1.379 -14.870 476 HA PHE 59 HA PHE 59 3.707 4.141 -14.311 477 HB2 PHE 59 HB2 PHE 59 2.834 3.939 -16.795 478 HB3 PHE 59 HB3 PHE 59 1.287 3.668 -16.001 479 HD1 PHE 59 HD2 PHE 59 4.183 6.011 -15.757 480 HD2 PHE 59 HD1 PHE 59 -0.042 5.502 -15.674 481 HE1 PHE 59 HE2 PHE 59 3.899 8.441 -15.493 482 HE2 PHE 59 HE1 PHE 59 -0.333 7.931 -15.411 483 HZ PHE 59 HZ PHE 59 1.639 9.404 -15.319 484 H GLN 60 H GLN 60 1.680 5.029 -13.228 485 HA GLN 60 HA GLN 60 -0.054 2.976 -12.107 486 HB2 GLN 60 HB2 GLN 60 0.432 3.541 -9.812 487 HB3 GLN 60 HB3 GLN 60 1.927 3.080 -10.614 488 HG2 GLN 60 HG2 GLN 60 2.655 4.923 -9.518 489 HG3 GLN 60 HG3 GLN 60 2.102 5.684 -11.010 490 HE21 GLN 60 HE21 GLN 60 0.484 4.519 -8.072 491 HE22 GLN 60 HE22 GLN 60 -0.348 5.995 -7.740 492 H ILE 61 H ILE 61 -2.073 3.701 -11.868 493 HA ILE 61 HA ILE 61 -2.675 6.435 -12.531 494 HB ILE 61 HB ILE 61 -4.527 4.207 -11.676 495 HG12 ILE 61 HG12 ILE 61 -4.063 5.264 -14.464 496 HG13 ILE 61 HG13 ILE 61 -3.173 3.892 -13.813 497 HG21 ILE 61 HG21 ILE 61 -4.952 7.036 -12.344 498 HG22 ILE 61 HG22 ILE 61 -6.029 5.903 -13.159 499 HG23 ILE 61 HG23 ILE 61 -5.946 5.929 -11.398 500 HD11 ILE 61 HD11 ILE 61 -4.925 2.970 -15.056 501 HD12 ILE 61 HD12 ILE 61 -5.439 2.836 -13.374 502 HD13 ILE 61 HD13 ILE 61 -6.103 4.107 -14.401 503 H ASN 62 H ASN 62 -3.107 4.365 -9.673 504 HA ASN 62 HA ASN 62 -2.688 6.532 -7.879 505 HB2 ASN 62 HB2 ASN 62 -5.102 6.841 -8.737 506 HB3 ASN 62 HB3 ASN 62 -5.483 5.418 -7.772 507 HD21 ASN 62 HD21 ASN 62 -4.652 8.763 -7.739 508 HD22 ASN 62 HD22 ASN 62 -4.886 9.025 -6.047 509 H ALA 63 H ALA 63 -2.866 5.858 -5.609 510 HA ALA 63 HA ALA 63 -2.254 3.006 -5.351 511 HB1 ALA 63 HB1 ALA 63 -1.895 4.762 -3.016 512 HB2 ALA 63 HB2 ALA 63 -0.821 3.539 -3.697 513 HB3 ALA 63 HB3 ALA 63 -0.899 5.146 -4.421 514 H SER 64 H SER 64 -4.989 3.871 -5.650 515 HA SER 64 HA SER 64 -6.066 3.209 -2.988 516 HB2 SER 64 HB2 SER 64 -6.672 5.455 -4.127 517 HB3 SER 64 HB3 SER 64 -7.687 4.475 -5.185 518 HG SER 64 HG SER 64 -9.094 4.415 -3.642 519 H ALA 65 H ALA 65 -6.020 2.392 -6.371 520 HA ALA 65 HA ALA 65 -7.994 0.264 -5.944 521 HB1 ALA 65 HB1 ALA 65 -7.263 1.927 -8.199 522 HB2 ALA 65 HB2 ALA 65 -7.271 0.213 -8.618 523 HB3 ALA 65 HB3 ALA 65 -8.714 0.960 -7.931 524 H ALA 66 H ALA 66 -5.053 0.508 -7.943 525 HA ALA 66 HA ALA 66 -3.669 -1.559 -6.578 526 HB1 ALA 66 HB1 ALA 66 -3.759 -3.256 -8.397 527 HB2 ALA 66 HB2 ALA 66 -5.290 -3.032 -7.549 528 HB3 ALA 66 HB3 ALA 66 -5.052 -2.318 -9.145 529 H GLN 67 H GLN 67 -1.802 -2.405 -8.064 530 HA GLN 67 HA GLN 67 -0.931 -0.330 -9.936 531 HB2 GLN 67 HB2 GLN 67 0.378 -1.072 -7.365 532 HB3 GLN 67 HB3 GLN 67 1.415 -0.724 -8.743 533 HG2 GLN 67 HG2 GLN 67 -0.126 1.410 -8.917 534 HG3 GLN 67 HG3 GLN 67 -0.366 1.079 -7.202 535 HE21 GLN 67 HE21 GLN 67 2.364 1.007 -9.474 536 HE22 GLN 67 HE22 GLN 67 3.437 1.923 -8.477 537 H ILE 68 H ILE 68 0.446 -1.034 -11.546 538 HA ILE 68 HA ILE 68 1.320 -3.826 -11.492 539 HB ILE 68 HB ILE 68 -0.276 -2.631 -13.761 540 HG12 ILE 68 HG12 ILE 68 -1.671 -4.786 -13.129 541 HG13 ILE 68 HG13 ILE 68 -0.907 -4.553 -11.560 542 HG21 ILE 68 HG21 ILE 68 1.673 -4.704 -13.746 543 HG22 ILE 68 HG22 ILE 68 0.091 -5.420 -14.049 544 HG23 ILE 68 HG23 ILE 68 0.686 -4.125 -15.088 545 HD11 ILE 68 HD11 ILE 68 -1.832 -2.039 -12.217 546 HD12 ILE 68 HD12 ILE 68 -3.101 -3.125 -12.786 547 HD13 ILE 68 HD13 ILE 68 -2.583 -3.179 -11.101 548 H ILE 69 H ILE 69 3.448 -3.667 -11.743 549 HA ILE 69 HA ILE 69 4.594 -1.542 -13.366 550 HB ILE 69 HB ILE 69 5.958 -3.684 -11.730 551 HG12 ILE 69 HG12 ILE 69 6.512 -1.465 -10.392 552 HG13 ILE 69 HG13 ILE 69 5.019 -0.909 -11.142 553 HG21 ILE 69 HG21 ILE 69 7.888 -1.979 -11.954 554 HG22 ILE 69 HG22 ILE 69 7.547 -3.063 -13.301 555 HG23 ILE 69 HG23 ILE 69 6.990 -1.391 -13.353 556 HD11 ILE 69 HD11 ILE 69 5.381 -2.584 -8.863 557 HD12 ILE 69 HD12 ILE 69 3.894 -1.904 -9.525 558 HD13 ILE 69 HD13 ILE 69 4.486 -3.462 -10.103 559 H VAL 70 H VAL 70 5.803 -1.840 -15.211 560 HA VAL 70 HA VAL 70 5.558 -4.494 -16.465 561 HB VAL 70 HB VAL 70 5.841 -1.793 -17.789 562 HG11 VAL 70 HG11 VAL 70 6.458 -2.866 -19.630 563 HG12 VAL 70 HG12 VAL 70 6.426 -4.399 -18.756 564 HG13 VAL 70 HG13 VAL 70 4.976 -3.820 -19.576 565 HG21 VAL 70 HG21 VAL 70 3.648 -1.841 -17.053 566 HG22 VAL 70 HG22 VAL 70 3.511 -2.536 -18.668 567 HG23 VAL 70 HG23 VAL 70 3.509 -3.588 -17.252 568 H THR 71 H THR 71 7.415 -5.564 -16.172 569 HA THR 71 HA THR 71 9.943 -4.122 -16.637 570 HB THR 71 HB THR 71 9.998 -4.961 -14.425 571 HG1 THR 71 HG1 THR 71 11.743 -6.347 -14.562 572 HG21 THR 71 HG21 THR 71 8.510 -7.206 -15.592 573 HG22 THR 71 HG22 THR 71 8.451 -6.531 -13.964 574 HG23 THR 71 HG23 THR 71 9.720 -7.675 -14.400 575 H ASP 72 H ASP 72 10.225 -4.398 -18.810 576 HA ASP 72 HA ASP 72 9.756 -6.888 -20.135 577 HB2 ASP 72 HB2 ASP 72 10.816 -5.786 -22.082 578 HB3 ASP 72 HB3 ASP 72 9.551 -4.795 -21.359 Start of MODEL 10 1 H1 MET 1 H MET 1 3.223 -1.462 -2.098 2 HA MET 1 HA MET 1 3.309 -3.981 -0.683 3 HB2 MET 1 HB2 MET 1 1.237 -1.779 -0.703 4 HB3 MET 1 HB3 MET 1 1.201 -3.182 0.356 5 HG2 MET 1 HG2 MET 1 3.472 -1.217 0.303 6 HG3 MET 1 HG3 MET 1 2.079 -1.064 1.371 7 HE1 MET 1 HE1 MET 1 2.758 -2.466 4.245 8 HE2 MET 1 HE2 MET 1 1.463 -2.214 3.074 9 HE3 MET 1 HE3 MET 1 1.938 -3.852 3.526 10 H ASP 2 H ASP 2 0.768 -2.426 -2.651 11 HA ASP 2 HA ASP 2 -0.201 -5.091 -3.390 12 HB2 ASP 2 HB2 ASP 2 -1.560 -2.463 -3.980 13 HB3 ASP 2 HB3 ASP 2 -2.275 -4.073 -3.944 14 H ARG 3 H ARG 3 2.215 -4.040 -4.558 15 HA ARG 3 HA ARG 3 1.620 -3.081 -7.193 16 HB2 ARG 3 HB2 ARG 3 4.175 -4.187 -6.014 17 HB3 ARG 3 HB3 ARG 3 4.045 -3.435 -7.598 18 HG2 ARG 3 HG2 ARG 3 3.891 -1.338 -6.748 19 HG3 ARG 3 HG3 ARG 3 3.073 -1.875 -5.279 20 HD2 ARG 3 HD2 ARG 3 5.002 -1.800 -4.184 21 HD3 ARG 3 HD3 ARG 3 5.668 -3.009 -5.281 22 HE ARG 3 HE ARG 3 6.195 -0.188 -5.289 23 HH11 ARG 3 HH11 ARG 3 6.104 -3.076 -7.231 24 HH12 ARG 3 HH12 ARG 3 7.239 -2.484 -8.397 25 HH21 ARG 3 HH21 ARG 3 7.691 0.602 -6.818 26 HH22 ARG 3 HH22 ARG 3 8.142 -0.392 -8.161 27 H ILE 4 H ILE 4 2.285 -4.230 -9.166 28 HA ILE 4 HA ILE 4 2.234 -7.148 -8.970 29 HB ILE 4 HB ILE 4 0.327 -5.576 -10.708 30 HG12 ILE 4 HG12 ILE 4 -0.246 -7.483 -8.430 31 HG13 ILE 4 HG13 ILE 4 -0.286 -5.729 -8.293 32 HG21 ILE 4 HG21 ILE 4 1.003 -7.470 -11.949 33 HG22 ILE 4 HG22 ILE 4 0.929 -8.516 -10.532 34 HG23 ILE 4 HG23 ILE 4 -0.558 -7.884 -11.239 35 HD11 ILE 4 HD11 ILE 4 -2.187 -7.574 -9.620 36 HD12 ILE 4 HD12 ILE 4 -2.492 -6.150 -8.626 37 HD13 ILE 4 HD13 ILE 4 -1.975 -5.962 -10.302 38 H PHE 5 H PHE 5 4.096 -7.665 -9.924 39 HA PHE 5 HA PHE 5 5.255 -6.104 -12.024 40 HB2 PHE 5 HB2 PHE 5 6.954 -7.945 -12.086 41 HB3 PHE 5 HB3 PHE 5 6.733 -7.226 -10.494 42 HD1 PHE 5 HD1 PHE 5 5.711 -10.119 -12.583 43 HD2 PHE 5 HD2 PHE 5 6.237 -8.560 -8.658 44 HE1 PHE 5 HE1 PHE 5 5.277 -12.351 -11.642 45 HE2 PHE 5 HE2 PHE 5 5.805 -10.789 -7.711 46 HZ PHE 5 HZ PHE 5 5.325 -12.689 -9.203 47 H MET 6 H MET 6 5.727 -6.833 -14.167 48 HA MET 6 HA MET 6 4.394 -9.159 -15.215 49 HB2 MET 6 HB2 MET 6 2.842 -6.908 -15.077 50 HB3 MET 6 HB3 MET 6 3.523 -6.772 -16.693 51 HG2 MET 6 HG2 MET 6 1.473 -7.912 -16.914 52 HG3 MET 6 HG3 MET 6 2.744 -9.117 -17.112 53 HE1 MET 6 HE1 MET 6 -0.272 -8.779 -13.680 54 HE2 MET 6 HE2 MET 6 0.857 -7.455 -13.968 55 HE3 MET 6 HE3 MET 6 -0.297 -7.918 -15.219 56 H THR 7 H THR 7 5.125 -9.743 -17.262 57 HA THR 7 HA THR 7 7.575 -8.387 -18.088 58 HB THR 7 HB THR 7 8.131 -10.347 -19.318 59 HG1 THR 7 HG1 THR 7 6.578 -11.433 -20.241 60 HG21 THR 7 HG21 THR 7 8.541 -11.688 -17.551 61 HG22 THR 7 HG22 THR 7 6.837 -11.790 -17.106 62 HG23 THR 7 HG23 THR 7 7.792 -10.389 -16.623 63 H ARG 8 H ARG 8 7.888 -8.746 -20.652 64 HA ARG 8 HA ARG 8 6.313 -6.811 -21.894 65 HB2 ARG 8 HB2 ARG 8 7.312 -7.664 -24.022 66 HB3 ARG 8 HB3 ARG 8 8.489 -7.317 -22.763 67 HG2 ARG 8 HG2 ARG 8 8.499 -9.750 -22.208 68 HG3 ARG 8 HG3 ARG 8 7.485 -10.017 -23.627 69 HD2 ARG 8 HD2 ARG 8 10.080 -8.538 -23.849 70 HD3 ARG 8 HD3 ARG 8 10.046 -10.301 -23.841 71 HE ARG 8 HE ARG 8 9.232 -8.563 -25.975 72 HH11 ARG 8 HH11 ARG 8 8.820 -11.708 -24.541 73 HH12 ARG 8 HH12 ARG 8 8.295 -12.455 -26.014 74 HH21 ARG 8 HH21 ARG 8 8.541 -9.534 -27.920 75 HH22 ARG 8 HH22 ARG 8 8.137 -11.217 -27.935 76 H THR 9 H THR 9 6.120 -10.349 -22.064 77 HA THR 9 HA THR 9 3.816 -10.277 -23.798 78 HB THR 9 HB THR 9 4.811 -12.694 -22.296 79 HG1 THR 9 HG1 THR 9 5.707 -11.882 -24.869 80 HG21 THR 9 HG21 THR 9 2.827 -13.263 -23.361 81 HG22 THR 9 HG22 THR 9 4.040 -13.713 -24.561 82 HG23 THR 9 HG23 THR 9 3.143 -12.204 -24.735 83 H GLU 10 H GLU 10 4.438 -11.241 -20.427 84 HA GLU 10 HA GLU 10 1.802 -11.903 -19.761 85 HB2 GLU 10 HB2 GLU 10 4.252 -11.178 -18.242 86 HB3 GLU 10 HB3 GLU 10 2.721 -11.094 -17.382 87 HG2 GLU 10 HG2 GLU 10 3.470 -13.236 -16.938 88 HG3 GLU 10 HG3 GLU 10 2.328 -13.472 -18.259 89 H ALA 11 H ALA 11 3.262 -8.859 -20.312 90 HA ALA 11 HA ALA 11 1.887 -7.111 -18.695 91 HB1 ALA 11 HB1 ALA 11 3.397 -6.945 -21.104 92 HB2 ALA 11 HB2 ALA 11 1.962 -5.931 -21.263 93 HB3 ALA 11 HB3 ALA 11 3.070 -5.685 -19.913 94 H LEU 12 H LEU 12 0.706 -8.932 -21.422 95 HA LEU 12 HA LEU 12 -1.555 -7.545 -22.152 96 HB2 LEU 12 HB2 LEU 12 -2.494 -9.669 -22.857 97 HB3 LEU 12 HB3 LEU 12 -0.786 -9.562 -23.279 98 HG LEU 12 HG LEU 12 -0.590 -10.868 -20.938 99 HD11 LEU 12 HD11 LEU 12 -2.376 -12.106 -20.347 100 HD12 LEU 12 HD12 LEU 12 -2.916 -12.321 -22.012 101 HD13 LEU 12 HD13 LEU 12 -3.273 -10.821 -21.156 102 HD21 LEU 12 HD21 LEU 12 -0.409 -11.479 -23.706 103 HD22 LEU 12 HD22 LEU 12 -1.161 -12.848 -22.887 104 HD23 LEU 12 HD23 LEU 12 0.411 -12.253 -22.350 105 H GLU 13 H GLU 13 -1.141 -9.767 -19.427 106 HA GLU 13 HA GLU 13 -3.766 -9.927 -18.553 107 HB2 GLU 13 HB2 GLU 13 -1.937 -11.275 -17.621 108 HB3 GLU 13 HB3 GLU 13 -1.258 -9.840 -16.867 109 HG2 GLU 13 HG2 GLU 13 -2.420 -11.048 -15.193 110 HG3 GLU 13 HG3 GLU 13 -3.372 -9.612 -15.566 111 H PHE 14 H PHE 14 -1.308 -7.489 -17.787 112 HA PHE 14 HA PHE 14 -2.931 -6.009 -15.997 113 HB2 PHE 14 HB2 PHE 14 -0.563 -5.723 -15.862 114 HB3 PHE 14 HB3 PHE 14 -0.454 -5.287 -17.564 115 HD1 PHE 14 HD2 PHE 14 -2.799 -4.070 -14.949 116 HD2 PHE 14 HD1 PHE 14 0.410 -3.140 -17.586 117 HE1 PHE 14 HE2 PHE 14 -2.998 -1.692 -14.348 118 HE2 PHE 14 HE1 PHE 14 0.217 -0.761 -16.988 119 HZ PHE 14 HZ PHE 14 -1.490 -0.035 -15.368 120 H LEU 15 H LEU 15 -2.155 -5.601 -19.436 121 HA LEU 15 HA LEU 15 -3.464 -3.224 -19.939 122 HB2 LEU 15 HB2 LEU 15 -2.931 -5.652 -21.595 123 HB3 LEU 15 HB3 LEU 15 -3.905 -4.339 -22.253 124 HG LEU 15 HG LEU 15 -1.104 -3.968 -21.206 125 HD11 LEU 15 HD11 LEU 15 -0.466 -5.131 -23.008 126 HD12 LEU 15 HD12 LEU 15 -0.944 -3.695 -23.911 127 HD13 LEU 15 HD13 LEU 15 -2.064 -5.048 -23.751 128 HD21 LEU 15 HD21 LEU 15 -1.188 -1.843 -22.202 129 HD22 LEU 15 HD22 LEU 15 -2.730 -2.015 -21.363 130 HD23 LEU 15 HD23 LEU 15 -2.648 -2.233 -23.112 131 H LEU 16 H LEU 16 -4.804 -6.511 -19.970 132 HA LEU 16 HA LEU 16 -7.465 -5.566 -20.544 133 HB2 LEU 16 HB2 LEU 16 -6.390 -7.828 -21.178 134 HB3 LEU 16 HB3 LEU 16 -6.798 -8.306 -19.532 135 HG LEU 16 HG LEU 16 -9.200 -7.454 -20.296 136 HD11 LEU 16 HD11 LEU 16 -7.662 -7.778 -22.779 137 HD12 LEU 16 HD12 LEU 16 -9.125 -6.848 -22.458 138 HD13 LEU 16 HD13 LEU 16 -9.230 -8.584 -22.749 139 HD21 LEU 16 HD21 LEU 16 -8.714 -9.663 -19.428 140 HD22 LEU 16 HD22 LEU 16 -7.998 -10.138 -20.968 141 HD23 LEU 16 HD23 LEU 16 -9.724 -9.790 -20.868 142 H LYS 17 H LYS 17 -5.577 -6.294 -17.733 143 HA LYS 17 HA LYS 17 -7.619 -6.765 -15.870 144 HB2 LYS 17 HB2 LYS 17 -5.365 -7.257 -15.258 145 HB3 LYS 17 HB3 LYS 17 -4.851 -5.604 -15.568 146 HG2 LYS 17 HG2 LYS 17 -6.223 -4.841 -13.677 147 HG3 LYS 17 HG3 LYS 17 -6.675 -6.516 -13.351 148 HD2 LYS 17 HD2 LYS 17 -4.008 -6.781 -13.385 149 HD3 LYS 17 HD3 LYS 17 -4.122 -5.100 -12.857 150 HE2 LYS 17 HE2 LYS 17 -4.096 -6.376 -10.880 151 HE3 LYS 17 HE3 LYS 17 -5.782 -5.919 -11.117 152 HZ1 LYS 17 HZ1 LYS 17 -4.883 -8.435 -10.683 153 HZ2 LYS 17 HZ2 LYS 17 -5.090 -8.415 -12.361 154 HZ3 LYS 17 HZ3 LYS 17 -6.389 -8.038 -11.345 155 H ALA 18 H ALA 18 -5.960 -3.736 -16.734 156 HA ALA 18 HA ALA 18 -7.269 -2.014 -15.009 157 HB1 ALA 18 HB1 ALA 18 -6.027 -1.650 -17.702 158 HB2 ALA 18 HB2 ALA 18 -6.877 -0.310 -16.932 159 HB3 ALA 18 HB3 ALA 18 -5.494 -1.054 -16.130 160 H HIS 19 H HIS 19 -8.394 -3.456 -17.983 161 HA HIS 19 HA HIS 19 -10.509 -1.797 -18.644 162 HB2 HIS 19 HB2 HIS 19 -9.630 -3.868 -19.878 163 HB3 HIS 19 HB3 HIS 19 -10.688 -4.799 -18.823 164 HD1 HIS 19 HD1 HIS 19 -11.725 -1.479 -20.238 165 HD2 HIS 19 HD2 HIS 19 -12.437 -5.526 -20.852 166 HE1 HIS 19 HE1 HIS 19 -13.673 -1.585 -21.824 167 H GLN 20 H GLN 20 -10.363 -4.382 -16.244 168 HA GLN 20 HA GLN 20 -13.073 -4.499 -15.582 169 HB2 GLN 20 HB2 GLN 20 -11.379 -6.135 -14.829 170 HB3 GLN 20 HB3 GLN 20 -10.706 -4.921 -13.750 171 HG2 GLN 20 HG2 GLN 20 -12.022 -6.071 -12.295 172 HG3 GLN 20 HG3 GLN 20 -13.160 -4.835 -12.831 173 HE21 GLN 20 HE21 GLN 20 -12.071 -8.119 -13.579 174 HE22 GLN 20 HE22 GLN 20 -13.621 -8.710 -14.062 175 H THR 21 H THR 21 -10.538 -2.308 -14.528 176 HA THR 21 HA THR 21 -12.142 -1.064 -12.495 177 HB THR 21 HB THR 21 -9.737 0.264 -13.690 178 HG1 THR 21 HG1 THR 21 -8.474 -1.095 -12.250 179 HG21 THR 21 HG21 THR 21 -10.597 1.550 -11.963 180 HG22 THR 21 HG22 THR 21 -9.387 0.578 -11.125 181 HG23 THR 21 HG23 THR 21 -11.092 0.142 -11.024 182 H ALA 22 H ALA 22 -11.180 -0.279 -15.808 183 HA ALA 22 HA ALA 22 -12.272 2.302 -15.925 184 HB1 ALA 22 HB1 ALA 22 -12.522 1.195 -18.486 185 HB2 ALA 22 HB2 ALA 22 -11.197 2.180 -17.863 186 HB3 ALA 22 HB3 ALA 22 -11.114 0.421 -17.759 187 H VAL 23 H VAL 23 -13.671 -0.831 -16.872 188 HA VAL 23 HA VAL 23 -16.159 0.173 -17.717 189 HB VAL 23 HB VAL 23 -15.515 -2.561 -16.603 190 HG11 VAL 23 HG11 VAL 23 -17.983 -1.353 -17.600 191 HG12 VAL 23 HG12 VAL 23 -17.562 -2.875 -18.388 192 HG13 VAL 23 HG13 VAL 23 -17.741 -2.808 -16.634 193 HG21 VAL 23 HG21 VAL 23 -15.056 -3.262 -18.792 194 HG22 VAL 23 HG22 VAL 23 -15.770 -1.813 -19.501 195 HG23 VAL 23 HG23 VAL 23 -14.232 -1.709 -18.645 196 H ASP 24 H ASP 24 -14.998 -0.907 -14.567 197 HA ASP 24 HA ASP 24 -17.535 -0.763 -13.277 198 HB2 ASP 24 HB2 ASP 24 -15.600 -2.127 -12.461 199 HB3 ASP 24 HB3 ASP 24 -14.797 -0.628 -12.002 200 H LYS 25 H LYS 25 -14.942 1.499 -13.869 201 HA LYS 25 HA LYS 25 -15.586 3.469 -11.991 202 HB2 LYS 25 HB2 LYS 25 -14.115 3.402 -14.574 203 HB3 LYS 25 HB3 LYS 25 -14.615 4.980 -13.978 204 HG2 LYS 25 HG2 LYS 25 -13.212 3.130 -12.118 205 HG3 LYS 25 HG3 LYS 25 -12.278 3.970 -13.358 206 HD2 LYS 25 HD2 LYS 25 -12.152 5.476 -11.626 207 HD3 LYS 25 HD3 LYS 25 -13.582 6.069 -12.475 208 HE2 LYS 25 HE2 LYS 25 -15.018 5.339 -10.848 209 HE3 LYS 25 HE3 LYS 25 -13.955 4.024 -10.348 210 HZ1 LYS 25 HZ1 LYS 25 -13.455 5.342 -8.641 211 HZ2 LYS 25 HZ2 LYS 25 -14.112 6.719 -9.372 212 HZ3 LYS 25 HZ3 LYS 25 -12.529 6.244 -9.734 213 H ILE 26 H ILE 26 -17.027 2.661 -15.062 214 HA ILE 26 HA ILE 26 -18.487 5.074 -15.415 215 HB ILE 26 HB ILE 26 -19.196 2.349 -16.502 216 HG12 ILE 26 HG12 ILE 26 -16.869 2.895 -17.043 217 HG13 ILE 26 HG13 ILE 26 -17.879 2.980 -18.483 218 HG21 ILE 26 HG21 ILE 26 -20.188 3.712 -18.344 219 HG22 ILE 26 HG22 ILE 26 -20.989 3.901 -16.785 220 HG23 ILE 26 HG23 ILE 26 -19.888 5.150 -17.367 221 HD11 ILE 26 HD11 ILE 26 -16.389 4.823 -18.530 222 HD12 ILE 26 HD12 ILE 26 -17.991 5.453 -18.147 223 HD13 ILE 26 HD13 ILE 26 -16.788 5.268 -16.871 224 H GLY 27 H GLY 27 -18.962 2.255 -13.478 225 HA2 GLY 27 HA2 GLY 27 -20.506 1.906 -11.792 226 HA3 GLY 27 HA3 GLY 27 -21.246 3.446 -12.202 227 H HIS 28 H HIS 28 -20.731 0.857 -14.510 228 HA HIS 28 HA HIS 28 -23.536 0.844 -15.162 229 HB2 HIS 28 HB2 HIS 28 -21.054 -0.164 -16.354 230 HB3 HIS 28 HB3 HIS 28 -22.429 -1.241 -16.573 231 HD1 HIS 28 HD1 HIS 28 -22.767 -0.802 -19.046 232 HD2 HIS 28 HD2 HIS 28 -22.805 2.663 -16.753 233 HE1 HIS 28 HE1 HIS 28 -23.557 1.018 -20.591 234 HA PRO 29 HA PRO 29 -24.893 -2.585 -12.787 235 HB2 PRO 29 HB2 PRO 29 -26.651 -3.772 -14.481 236 HB3 PRO 29 HB3 PRO 29 -26.983 -2.234 -13.675 237 HG2 PRO 29 HG2 PRO 29 -26.026 -2.741 -16.465 238 HG3 PRO 29 HG3 PRO 29 -27.251 -1.594 -15.894 239 HD2 PRO 29 HD2 PRO 29 -24.719 -0.843 -16.492 240 HD3 PRO 29 HD3 PRO 29 -25.676 -0.051 -15.223 241 H SER 30 H SER 30 -25.510 -5.079 -13.241 242 HA SER 30 HA SER 30 -23.146 -6.237 -14.563 243 HB2 SER 30 HB2 SER 30 -23.096 -7.951 -12.937 244 HB3 SER 30 HB3 SER 30 -23.421 -6.480 -12.020 245 HG SER 30 HG SER 30 -24.836 -8.661 -12.004 246 H HIS 31 H HIS 31 -25.895 -5.598 -15.629 247 HA HIS 31 HA HIS 31 -27.467 -7.833 -16.014 248 HB2 HIS 31 HB2 HIS 31 -27.732 -5.349 -16.829 249 HB3 HIS 31 HB3 HIS 31 -26.995 -5.964 -18.306 250 HD1 HIS 31 HD1 HIS 31 -29.467 -7.920 -16.239 251 HD2 HIS 31 HD2 HIS 31 -29.271 -5.889 -19.858 252 HE1 HIS 31 HE1 HIS 31 -31.607 -8.474 -17.437 253 H LYS 32 H LYS 32 -27.731 -9.069 -18.096 254 HA LYS 32 HA LYS 32 -25.537 -10.693 -18.570 255 HB2 LYS 32 HB2 LYS 32 -28.099 -10.918 -19.193 256 HB3 LYS 32 HB3 LYS 32 -27.545 -10.308 -20.746 257 HG2 LYS 32 HG2 LYS 32 -26.255 -12.179 -21.171 258 HG3 LYS 32 HG3 LYS 32 -26.166 -12.629 -19.467 259 HD2 LYS 32 HD2 LYS 32 -28.150 -13.717 -19.515 260 HD3 LYS 32 HD3 LYS 32 -28.871 -12.569 -20.646 261 HE2 LYS 32 HE2 LYS 32 -27.328 -13.610 -22.400 262 HE3 LYS 32 HE3 LYS 32 -27.078 -14.907 -21.232 263 HZ1 LYS 32 HZ1 LYS 32 -28.821 -15.632 -22.578 264 HZ2 LYS 32 HZ2 LYS 32 -29.584 -14.122 -22.589 265 HZ3 LYS 32 HZ3 LYS 32 -29.597 -15.065 -21.185 266 H GLN 33 H GLN 33 -24.128 -10.926 -20.362 267 HA GLN 33 HA GLN 33 -22.830 -8.631 -21.198 268 HB2 GLN 33 HB2 GLN 33 -21.826 -10.870 -21.284 269 HB3 GLN 33 HB3 GLN 33 -22.915 -11.312 -22.593 270 HG2 GLN 33 HG2 GLN 33 -21.899 -9.640 -24.030 271 HG3 GLN 33 HG3 GLN 33 -20.836 -9.138 -22.716 272 HE21 GLN 33 HE21 GLN 33 -21.388 -11.391 -25.229 273 HE22 GLN 33 HE22 GLN 33 -19.952 -12.327 -25.015 274 H THR 34 H THR 34 -23.541 -7.032 -22.428 275 HA THR 34 HA THR 34 -25.777 -7.322 -24.188 276 HB THR 34 HB THR 34 -24.880 -4.913 -24.892 277 HG1 THR 34 HG1 THR 34 -23.730 -3.980 -23.168 278 HG21 THR 34 HG21 THR 34 -26.081 -5.386 -22.165 279 HG22 THR 34 HG22 THR 34 -26.990 -5.506 -23.671 280 HG23 THR 34 HG23 THR 34 -26.275 -3.967 -23.192 281 HA PRO 35 HA PRO 35 -23.851 -8.217 -28.028 282 HB2 PRO 35 HB2 PRO 35 -25.280 -6.689 -29.759 283 HB3 PRO 35 HB3 PRO 35 -25.939 -8.134 -28.983 284 HG2 PRO 35 HG2 PRO 35 -26.304 -5.255 -28.248 285 HG3 PRO 35 HG3 PRO 35 -27.507 -6.557 -28.303 286 HD2 PRO 35 HD2 PRO 35 -26.377 -5.714 -25.991 287 HD3 PRO 35 HD3 PRO 35 -26.875 -7.398 -26.252 288 H ALA 36 H ALA 36 -23.975 -4.929 -26.935 289 HA ALA 36 HA ALA 36 -22.406 -3.764 -28.999 290 HB1 ALA 36 HB1 ALA 36 -23.636 -2.911 -26.536 291 HB2 ALA 36 HB2 ALA 36 -22.013 -2.240 -26.698 292 HB3 ALA 36 HB3 ALA 36 -23.209 -1.969 -27.965 293 H ASP 37 H ASP 37 -21.662 -5.598 -26.159 294 HA ASP 37 HA ASP 37 -19.071 -4.788 -25.595 295 HB2 ASP 37 HB2 ASP 37 -20.067 -6.311 -24.092 296 HB3 ASP 37 HB3 ASP 37 -20.435 -7.463 -25.372 297 H HIS 38 H HIS 38 -20.278 -6.783 -28.196 298 HA HIS 38 HA HIS 38 -17.935 -8.014 -29.045 299 HB2 HIS 38 HB2 HIS 38 -20.264 -8.417 -29.925 300 HB3 HIS 38 HB3 HIS 38 -20.088 -6.946 -30.877 301 HD1 HIS 38 HD1 HIS 38 -18.535 -10.380 -30.521 302 HD2 HIS 38 HD2 HIS 38 -18.793 -7.269 -33.263 303 HE1 HIS 38 HE1 HIS 38 -17.495 -11.259 -32.635 304 H ALA 39 H ALA 39 -18.979 -4.714 -29.367 305 HA ALA 39 HA ALA 39 -17.195 -3.959 -31.447 306 HB1 ALA 39 HB1 ALA 39 -18.608 -2.318 -29.352 307 HB2 ALA 39 HB2 ALA 39 -17.691 -1.640 -30.697 308 HB3 ALA 39 HB3 ALA 39 -19.129 -2.611 -31.011 309 H ALA 40 H ALA 40 -16.886 -4.306 -28.000 310 HA ALA 40 HA ALA 40 -14.715 -2.690 -27.434 311 HB1 ALA 40 HB1 ALA 40 -16.140 -4.217 -25.896 312 HB2 ALA 40 HB2 ALA 40 -14.901 -5.425 -26.241 313 HB3 ALA 40 HB3 ALA 40 -14.456 -3.898 -25.479 314 H ILE 41 H ILE 41 -14.829 -5.710 -29.168 315 HA ILE 41 HA ILE 41 -12.216 -6.584 -29.012 316 HB ILE 41 HB ILE 41 -13.979 -6.637 -31.463 317 HG12 ILE 41 HG12 ILE 41 -15.028 -7.642 -29.462 318 HG13 ILE 41 HG13 ILE 41 -14.668 -8.846 -30.694 319 HG21 ILE 41 HG21 ILE 41 -11.360 -7.859 -30.805 320 HG22 ILE 41 HG22 ILE 41 -12.519 -8.844 -31.695 321 HG23 ILE 41 HG23 ILE 41 -11.992 -7.295 -32.352 322 HD11 ILE 41 HD11 ILE 41 -12.469 -8.572 -28.861 323 HD12 ILE 41 HD12 ILE 41 -13.972 -8.924 -28.007 324 HD13 ILE 41 HD13 ILE 41 -13.412 -10.000 -29.287 325 H GLU 42 H GLU 42 -13.565 -3.977 -30.946 326 HA GLU 42 HA GLU 42 -11.478 -3.507 -32.706 327 HB2 GLU 42 HB2 GLU 42 -12.363 -1.327 -33.010 328 HB3 GLU 42 HB3 GLU 42 -13.735 -2.365 -32.648 329 HG2 GLU 42 HG2 GLU 42 -13.302 -1.578 -30.194 330 HG3 GLU 42 HG3 GLU 42 -12.477 -0.239 -30.989 331 H ALA 43 H ALA 43 -11.730 -2.787 -29.306 332 HA ALA 43 HA ALA 43 -9.410 -1.063 -29.281 333 HB1 ALA 43 HB1 ALA 43 -10.149 -2.028 -26.677 334 HB2 ALA 43 HB2 ALA 43 -10.229 -0.392 -27.330 335 HB3 ALA 43 HB3 ALA 43 -11.578 -1.503 -27.567 336 H LEU 44 H LEU 44 -10.186 -4.403 -28.476 337 HA LEU 44 HA LEU 44 -7.920 -5.168 -27.103 338 HB2 LEU 44 HB2 LEU 44 -9.792 -6.576 -28.942 339 HB3 LEU 44 HB3 LEU 44 -8.324 -7.407 -28.430 340 HG LEU 44 HG LEU 44 -10.394 -7.927 -27.103 341 HD11 LEU 44 HD11 LEU 44 -8.194 -8.406 -26.224 342 HD12 LEU 44 HD12 LEU 44 -9.238 -7.812 -24.934 343 HD13 LEU 44 HD13 LEU 44 -8.031 -6.745 -25.651 344 HD21 LEU 44 HD21 LEU 44 -11.334 -5.669 -27.066 345 HD22 LEU 44 HD22 LEU 44 -9.977 -5.119 -26.083 346 HD23 LEU 44 HD23 LEU 44 -11.112 -6.303 -25.435 347 H ASP 45 H ASP 45 -8.364 -4.746 -30.569 348 HA ASP 45 HA ASP 45 -5.976 -5.909 -31.451 349 HB2 ASP 45 HB2 ASP 45 -7.959 -5.113 -32.850 350 HB3 ASP 45 HB3 ASP 45 -7.261 -3.500 -32.733 351 H ARG 46 H ARG 46 -6.687 -2.619 -30.365 352 HA ARG 46 HA ARG 46 -4.233 -1.441 -30.998 353 HB2 ARG 46 HB2 ARG 46 -6.363 -0.294 -30.219 354 HB3 ARG 46 HB3 ARG 46 -5.900 -0.742 -28.583 355 HG2 ARG 46 HG2 ARG 46 -5.112 1.419 -28.764 356 HG3 ARG 46 HG3 ARG 46 -3.679 0.456 -29.131 357 HD2 ARG 46 HD2 ARG 46 -3.740 2.156 -30.762 358 HD3 ARG 46 HD3 ARG 46 -4.312 0.698 -31.571 359 HE ARG 46 HE ARG 46 -6.436 2.284 -30.485 360 HH11 ARG 46 HH11 ARG 46 -4.298 1.878 -33.202 361 HH12 ARG 46 HH12 ARG 46 -5.361 2.663 -34.323 362 HH21 ARG 46 HH21 ARG 46 -7.845 3.319 -31.951 363 HH22 ARG 46 HH22 ARG 46 -7.378 3.483 -33.610 364 H LEU 47 H LEU 47 -5.287 -3.095 -28.041 365 HA LEU 47 HA LEU 47 -2.971 -2.672 -26.527 366 HB2 LEU 47 HB2 LEU 47 -4.663 -5.151 -26.382 367 HB3 LEU 47 HB3 LEU 47 -3.746 -4.382 -25.089 368 HG LEU 47 HG LEU 47 -6.285 -3.363 -26.359 369 HD11 LEU 47 HD11 LEU 47 -7.357 -4.413 -24.728 370 HD12 LEU 47 HD12 LEU 47 -6.324 -3.665 -23.510 371 HD13 LEU 47 HD13 LEU 47 -5.837 -5.181 -24.268 372 HD21 LEU 47 HD21 LEU 47 -4.753 -1.525 -25.821 373 HD22 LEU 47 HD22 LEU 47 -4.613 -2.131 -24.171 374 HD23 LEU 47 HD23 LEU 47 -6.164 -1.535 -24.763 375 H LEU 48 H LEU 48 -3.898 -5.616 -28.323 376 HA LEU 48 HA LEU 48 -1.545 -7.027 -28.012 377 HB2 LEU 48 HB2 LEU 48 -3.287 -7.000 -30.471 378 HB3 LEU 48 HB3 LEU 48 -2.174 -8.279 -29.989 379 HG LEU 48 HG LEU 48 -4.665 -7.482 -28.482 380 HD11 LEU 48 HD11 LEU 48 -4.742 -8.700 -30.829 381 HD12 LEU 48 HD12 LEU 48 -5.810 -9.162 -29.505 382 HD13 LEU 48 HD13 LEU 48 -4.358 -10.106 -29.836 383 HD21 LEU 48 HD21 LEU 48 -2.364 -9.098 -27.802 384 HD22 LEU 48 HD22 LEU 48 -3.856 -10.038 -27.755 385 HD23 LEU 48 HD23 LEU 48 -3.709 -8.567 -26.791 386 H LEU 49 H LEU 49 -2.423 -5.074 -30.869 387 HA LEU 49 HA LEU 49 -0.012 -5.214 -32.204 388 HB2 LEU 49 HB2 LEU 49 -2.133 -4.226 -33.060 389 HB3 LEU 49 HB3 LEU 49 -1.806 -2.796 -32.083 390 HG LEU 49 HG LEU 49 0.213 -3.688 -34.096 391 HD11 LEU 49 HD11 LEU 49 -1.526 -3.667 -35.587 392 HD12 LEU 49 HD12 LEU 49 -1.067 -1.965 -35.602 393 HD13 LEU 49 HD13 LEU 49 -2.458 -2.494 -34.656 394 HD21 LEU 49 HD21 LEU 49 0.034 -0.978 -34.169 395 HD22 LEU 49 HD22 LEU 49 1.136 -1.883 -33.132 396 HD23 LEU 49 HD23 LEU 49 -0.405 -1.310 -32.493 397 H ASP 50 H ASP 50 -1.015 -2.896 -29.717 398 HA ASP 50 HA ASP 50 1.172 -1.198 -29.757 399 HB2 ASP 50 HB2 ASP 50 -0.785 -2.024 -27.663 400 HB3 ASP 50 HB3 ASP 50 0.636 -1.114 -27.156 401 H VAL 51 H VAL 51 0.727 -3.953 -27.530 402 HA VAL 51 HA VAL 51 3.270 -3.938 -26.421 403 HB VAL 51 HB VAL 51 1.510 -6.341 -26.932 404 HG11 VAL 51 HG11 VAL 51 2.757 -7.221 -24.897 405 HG12 VAL 51 HG12 VAL 51 3.649 -7.178 -26.419 406 HG13 VAL 51 HG13 VAL 51 3.930 -5.938 -25.196 407 HG21 VAL 51 HG21 VAL 51 0.752 -5.988 -24.622 408 HG22 VAL 51 HG22 VAL 51 1.721 -4.517 -24.537 409 HG23 VAL 51 HG23 VAL 51 0.363 -4.615 -25.658 410 H ARG 52 H ARG 52 2.126 -5.415 -29.406 411 HA ARG 52 HA ARG 52 4.459 -6.919 -29.956 412 HB2 ARG 52 HB2 ARG 52 2.234 -7.296 -31.019 413 HB3 ARG 52 HB3 ARG 52 2.460 -5.810 -31.933 414 HG2 ARG 52 HG2 ARG 52 4.291 -6.728 -33.135 415 HG3 ARG 52 HG3 ARG 52 4.358 -8.137 -32.074 416 HD2 ARG 52 HD2 ARG 52 3.307 -8.748 -34.158 417 HD3 ARG 52 HD3 ARG 52 2.113 -8.794 -32.862 418 HE ARG 52 HE ARG 52 2.161 -6.287 -34.246 419 HH11 ARG 52 HH11 ARG 52 0.929 -9.542 -34.317 420 HH12 ARG 52 HH12 ARG 52 -0.446 -9.140 -35.291 421 HH21 ARG 52 HH21 ARG 52 0.354 -5.744 -35.528 422 HH22 ARG 52 HH22 ARG 52 -0.772 -6.979 -35.980 423 H ALA 53 H ALA 53 3.532 -3.602 -30.573 424 HA ALA 53 HA ALA 53 5.940 -3.146 -32.169 425 HB1 ALA 53 HB1 ALA 53 4.924 -1.317 -33.047 426 HB2 ALA 53 HB2 ALA 53 3.478 -2.208 -32.568 427 HB3 ALA 53 HB3 ALA 53 4.097 -0.915 -31.541 428 H ARG 54 H ARG 54 5.964 -3.695 -29.242 429 HA ARG 54 HA ARG 54 6.992 -2.961 -27.348 430 HB2 ARG 54 HB2 ARG 54 8.466 -1.200 -29.317 431 HB3 ARG 54 HB3 ARG 54 8.975 -1.536 -27.667 432 HG2 ARG 54 HG2 ARG 54 9.426 -3.798 -28.162 433 HG3 ARG 54 HG3 ARG 54 8.593 -3.699 -29.714 434 HD2 ARG 54 HD2 ARG 54 10.390 -1.834 -30.181 435 HD3 ARG 54 HD3 ARG 54 11.285 -2.693 -28.928 436 HE ARG 54 HE ARG 54 11.616 -4.431 -30.392 437 HH11 ARG 54 HH11 ARG 54 9.202 -2.273 -31.670 438 HH12 ARG 54 HH12 ARG 54 9.161 -3.031 -33.228 439 HH21 ARG 54 HH21 ARG 54 11.572 -5.437 -32.439 440 HH22 ARG 54 HH22 ARG 54 10.509 -4.831 -33.663 441 H ARG 55 H ARG 55 4.556 -1.841 -27.611 442 HA ARG 55 HA ARG 55 4.945 0.998 -26.930 443 HB2 ARG 55 HB2 ARG 55 2.412 -0.383 -27.835 444 HB3 ARG 55 HB3 ARG 55 2.603 1.337 -27.524 445 HG2 ARG 55 HG2 ARG 55 4.316 -0.019 -29.561 446 HG3 ARG 55 HG3 ARG 55 2.664 0.460 -29.956 447 HD2 ARG 55 HD2 ARG 55 3.812 2.340 -30.593 448 HD3 ARG 55 HD3 ARG 55 3.417 2.751 -28.924 449 HE ARG 55 HE ARG 55 5.879 1.483 -28.873 450 HH11 ARG 55 HH11 ARG 55 4.496 4.370 -30.241 451 HH12 ARG 55 HH12 ARG 55 5.980 5.263 -30.189 452 HH21 ARG 55 HH21 ARG 55 7.839 2.647 -28.799 453 HH22 ARG 55 HH22 ARG 55 7.881 4.281 -29.369 454 H VAL 56 H VAL 56 5.264 -1.378 -25.172 455 HA VAL 56 HA VAL 56 3.100 -0.877 -23.242 456 HB VAL 56 HB VAL 56 3.453 -3.240 -23.952 457 HG11 VAL 56 HG11 VAL 56 6.149 -2.611 -23.592 458 HG12 VAL 56 HG12 VAL 56 5.758 -3.746 -22.299 459 HG13 VAL 56 HG13 VAL 56 5.464 -4.188 -23.982 460 HG21 VAL 56 HG21 VAL 56 4.123 -2.875 -21.043 461 HG22 VAL 56 HG22 VAL 56 2.529 -2.515 -21.707 462 HG23 VAL 56 HG23 VAL 56 3.170 -4.156 -21.792 463 H ASP 57 H ASP 57 3.591 -0.473 -21.063 464 HA ASP 57 HA ASP 57 6.289 -0.224 -20.143 465 HB2 ASP 57 HB2 ASP 57 6.332 2.179 -19.809 466 HB3 ASP 57 HB3 ASP 57 6.078 1.832 -21.517 467 H GLN 58 H GLN 58 6.187 1.162 -17.956 468 HA GLN 58 HA GLN 58 4.069 -0.109 -16.400 469 HB2 GLN 58 HB2 GLN 58 5.434 0.438 -14.448 470 HB3 GLN 58 HB3 GLN 58 6.382 -0.421 -15.654 471 HG2 GLN 58 HG2 GLN 58 7.863 1.207 -15.132 472 HG3 GLN 58 HG3 GLN 58 6.977 2.044 -16.406 473 HE21 GLN 58 HE21 GLN 58 7.941 3.908 -15.240 474 HE22 GLN 58 HE22 GLN 58 7.041 4.587 -13.931 475 H PHE 59 H PHE 59 2.790 1.037 -14.899 476 HA PHE 59 HA PHE 59 2.880 3.860 -14.625 477 HB2 PHE 59 HB2 PHE 59 1.991 3.610 -16.975 478 HB3 PHE 59 HB3 PHE 59 0.573 2.830 -16.282 479 HD1 PHE 59 HD2 PHE 59 2.578 5.888 -15.518 480 HD2 PHE 59 HD1 PHE 59 -1.262 4.188 -16.212 481 HE1 PHE 59 HE2 PHE 59 1.542 8.093 -15.169 482 HE2 PHE 59 HE1 PHE 59 -2.304 6.390 -15.864 483 HZ PHE 59 HZ PHE 59 -0.901 8.346 -15.341 484 H GLN 60 H GLN 60 1.669 4.531 -12.914 485 HA GLN 60 HA GLN 60 -0.046 2.497 -11.649 486 HB2 GLN 60 HB2 GLN 60 2.105 3.142 -10.464 487 HB3 GLN 60 HB3 GLN 60 1.390 4.730 -10.218 488 HG2 GLN 60 HG2 GLN 60 -0.580 3.124 -9.282 489 HG3 GLN 60 HG3 GLN 60 0.854 2.185 -8.869 490 HE21 GLN 60 HE21 GLN 60 -1.220 4.047 -7.463 491 HE22 GLN 60 HE22 GLN 60 -0.223 4.975 -6.399 492 H ILE 61 H ILE 61 -1.996 3.134 -10.727 493 HA ILE 61 HA ILE 61 -3.343 5.259 -12.019 494 HB ILE 61 HB ILE 61 -4.229 3.808 -9.525 495 HG12 ILE 61 HG12 ILE 61 -4.748 3.089 -12.418 496 HG13 ILE 61 HG13 ILE 61 -3.614 2.253 -11.364 497 HG21 ILE 61 HG21 ILE 61 -5.700 5.382 -11.627 498 HG22 ILE 61 HG22 ILE 61 -6.501 4.327 -10.464 499 HG23 ILE 61 HG23 ILE 61 -5.584 5.724 -9.900 500 HD11 ILE 61 HD11 ILE 61 -6.339 1.726 -11.730 501 HD12 ILE 61 HD12 ILE 61 -5.233 0.972 -10.581 502 HD13 ILE 61 HD13 ILE 61 -6.175 2.385 -10.103 503 H ASN 62 H ASN 62 -1.347 5.171 -9.267 504 HA ASN 62 HA ASN 62 -0.704 6.753 -7.765 505 HB2 ASN 62 HB2 ASN 62 -2.291 8.812 -9.278 506 HB3 ASN 62 HB3 ASN 62 -0.777 9.012 -8.399 507 HD21 ASN 62 HD21 ASN 62 1.143 8.088 -9.318 508 HD22 ASN 62 HD22 ASN 62 1.273 7.904 -11.031 509 H ALA 63 H ALA 63 -2.658 5.278 -6.815 510 HA ALA 63 HA ALA 63 -4.004 7.010 -4.994 511 HB1 ALA 63 HB1 ALA 63 -6.156 6.984 -5.703 512 HB2 ALA 63 HB2 ALA 63 -5.374 6.859 -7.279 513 HB3 ALA 63 HB3 ALA 63 -5.997 5.412 -6.487 514 H SER 64 H SER 64 -5.963 5.404 -4.014 515 HA SER 64 HA SER 64 -4.447 3.382 -2.677 516 HB2 SER 64 HB2 SER 64 -6.484 2.955 -1.416 517 HB3 SER 64 HB3 SER 64 -6.240 4.696 -1.563 518 HG SER 64 HG SER 64 -8.406 3.496 -2.131 519 H ALA 65 H ALA 65 -6.453 3.465 -5.464 520 HA ALA 65 HA ALA 65 -7.494 0.909 -5.599 521 HB1 ALA 65 HB1 ALA 65 -8.035 1.427 -7.720 522 HB2 ALA 65 HB2 ALA 65 -7.456 3.033 -7.274 523 HB3 ALA 65 HB3 ALA 65 -6.391 1.917 -8.131 524 H ALA 66 H ALA 66 -6.716 -0.797 -7.235 525 HA ALA 66 HA ALA 66 -4.467 -2.069 -6.270 526 HB1 ALA 66 HB1 ALA 66 -5.075 -2.565 -9.114 527 HB2 ALA 66 HB2 ALA 66 -4.933 -3.694 -7.766 528 HB3 ALA 66 HB3 ALA 66 -6.416 -2.765 -7.985 529 H GLN 67 H GLN 67 -2.330 -2.203 -6.859 530 HA GLN 67 HA GLN 67 -1.379 -0.094 -8.680 531 HB2 GLN 67 HB2 GLN 67 -0.574 0.316 -6.469 532 HB3 GLN 67 HB3 GLN 67 -0.089 -1.363 -6.266 533 HG2 GLN 67 HG2 GLN 67 1.797 -1.120 -7.553 534 HG3 GLN 67 HG3 GLN 67 1.143 0.254 -8.442 535 HE21 GLN 67 HE21 GLN 67 2.647 1.769 -8.096 536 HE22 GLN 67 HE22 GLN 67 3.133 2.342 -6.541 537 H ILE 68 H ILE 68 -0.413 -0.693 -10.502 538 HA ILE 68 HA ILE 68 0.788 -3.375 -10.652 539 HB ILE 68 HB ILE 68 -0.833 -2.093 -12.854 540 HG12 ILE 68 HG12 ILE 68 -1.879 -4.598 -11.926 541 HG13 ILE 68 HG13 ILE 68 -1.704 -3.506 -10.557 542 HG21 ILE 68 HG21 ILE 68 0.962 -4.406 -12.714 543 HG22 ILE 68 HG22 ILE 68 -0.596 -4.728 -13.472 544 HG23 ILE 68 HG23 ILE 68 0.444 -3.452 -14.103 545 HD11 ILE 68 HD11 ILE 68 -3.398 -3.219 -12.996 546 HD12 ILE 68 HD12 ILE 68 -3.845 -3.077 -11.295 547 HD13 ILE 68 HD13 ILE 68 -2.909 -1.799 -12.071 548 H ILE 69 H ILE 69 2.672 -3.543 -11.794 549 HA ILE 69 HA ILE 69 3.636 -1.203 -13.265 550 HB ILE 69 HB ILE 69 5.229 -2.567 -11.091 551 HG12 ILE 69 HG12 ILE 69 5.209 -0.006 -10.354 552 HG13 ILE 69 HG13 ILE 69 3.689 -0.019 -11.241 553 HG21 ILE 69 HG21 ILE 69 7.053 -1.824 -12.110 554 HG22 ILE 69 HG22 ILE 69 6.068 -1.163 -13.414 555 HG23 ILE 69 HG23 ILE 69 6.439 -0.174 -12.002 556 HD11 ILE 69 HD11 ILE 69 4.017 -2.238 -9.362 557 HD12 ILE 69 HD12 ILE 69 3.961 -0.639 -8.621 558 HD13 ILE 69 HD13 ILE 69 2.636 -1.181 -9.650 559 H VAL 70 H VAL 70 4.635 -1.735 -15.104 560 HA VAL 70 HA VAL 70 5.061 -4.558 -15.680 561 HB VAL 70 HB VAL 70 5.254 -2.150 -17.496 562 HG11 VAL 70 HG11 VAL 70 6.026 -4.923 -17.841 563 HG12 VAL 70 HG12 VAL 70 4.828 -4.414 -19.033 564 HG13 VAL 70 HG13 VAL 70 6.344 -3.525 -18.869 565 HG21 VAL 70 HG21 VAL 70 3.100 -2.696 -18.292 566 HG22 VAL 70 HG22 VAL 70 3.097 -4.247 -17.452 567 HG23 VAL 70 HG23 VAL 70 2.983 -2.747 -16.533 568 H THR 71 H THR 71 6.969 -5.407 -15.185 569 HA THR 71 HA THR 71 9.378 -3.736 -15.460 570 HB THR 71 HB THR 71 9.221 -4.467 -13.208 571 HG1 THR 71 HG1 THR 71 11.071 -5.845 -13.075 572 HG21 THR 71 HG21 THR 71 7.821 -6.196 -12.861 573 HG22 THR 71 HG22 THR 71 9.262 -7.192 -13.069 574 HG23 THR 71 HG23 THR 71 8.173 -6.921 -14.429 575 H ASP 72 H ASP 72 9.262 -4.241 -17.790 576 HA ASP 72 HA ASP 72 9.871 -6.971 -18.562 577 HB2 ASP 72 HB2 ASP 72 9.912 -6.008 -20.878 578 HB3 ASP 72 HB3 ASP 72 8.391 -5.769 -20.023 Start of MODEL 11 1 H1 MET 1 H MET 1 4.474 1.029 -1.550 2 HA MET 1 HA MET 1 1.713 0.583 -2.246 3 HB2 MET 1 HB2 MET 1 4.184 1.257 -3.827 4 HB3 MET 1 HB3 MET 1 2.660 0.877 -4.617 5 HG2 MET 1 HG2 MET 1 2.555 3.157 -4.521 6 HG3 MET 1 HG3 MET 1 1.705 2.715 -3.042 7 HE1 MET 1 HE1 MET 1 5.005 5.322 -3.851 8 HE2 MET 1 HE2 MET 1 3.401 5.009 -4.515 9 HE3 MET 1 HE3 MET 1 3.579 6.005 -3.069 10 H ASP 2 H ASP 2 0.844 -1.135 -3.336 11 HA ASP 2 HA ASP 2 2.312 -3.620 -3.173 12 HB2 ASP 2 HB2 ASP 2 -0.443 -3.277 -4.342 13 HB3 ASP 2 HB3 ASP 2 0.252 -4.704 -3.579 14 H ARG 3 H ARG 3 3.876 -2.636 -4.823 15 HA ARG 3 HA ARG 3 3.124 -2.397 -7.532 16 HB2 ARG 3 HB2 ARG 3 5.594 -2.665 -7.964 17 HB3 ARG 3 HB3 ARG 3 5.161 -1.379 -6.845 18 HG2 ARG 3 HG2 ARG 3 5.863 -2.652 -4.972 19 HG3 ARG 3 HG3 ARG 3 6.025 -4.114 -5.947 20 HD2 ARG 3 HD2 ARG 3 8.216 -3.268 -5.589 21 HD3 ARG 3 HD3 ARG 3 7.795 -2.920 -7.266 22 HE ARG 3 HE ARG 3 7.123 -0.717 -5.646 23 HH11 ARG 3 HH11 ARG 3 9.896 -2.383 -6.933 24 HH12 ARG 3 HH12 ARG 3 10.900 -0.971 -6.949 25 HH21 ARG 3 HH21 ARG 3 8.435 1.149 -5.662 26 HH22 ARG 3 HH22 ARG 3 10.068 1.037 -6.225 27 H ILE 4 H ILE 4 3.456 -3.813 -9.283 28 HA ILE 4 HA ILE 4 3.920 -6.632 -8.606 29 HB ILE 4 HB ILE 4 1.671 -5.679 -10.383 30 HG12 ILE 4 HG12 ILE 4 1.483 -7.032 -7.687 31 HG13 ILE 4 HG13 ILE 4 1.345 -5.292 -7.914 32 HG21 ILE 4 HG21 ILE 4 2.434 -8.450 -9.470 33 HG22 ILE 4 HG22 ILE 4 1.015 -8.036 -10.430 34 HG23 ILE 4 HG23 ILE 4 2.630 -7.801 -11.098 35 HD11 ILE 4 HD11 ILE 4 -0.813 -5.535 -8.302 36 HD12 ILE 4 HD12 ILE 4 -0.446 -6.527 -9.715 37 HD13 ILE 4 HD13 ILE 4 -0.660 -7.284 -8.137 38 H PHE 5 H PHE 5 5.649 -7.213 -9.734 39 HA PHE 5 HA PHE 5 6.476 -5.883 -12.118 40 HB2 PHE 5 HB2 PHE 5 8.265 -7.589 -12.178 41 HB3 PHE 5 HB3 PHE 5 8.124 -6.829 -10.596 42 HD1 PHE 5 HD1 PHE 5 7.480 -9.892 -12.524 43 HD2 PHE 5 HD2 PHE 5 7.503 -8.084 -8.671 44 HE1 PHE 5 HE1 PHE 5 7.261 -12.112 -11.485 45 HE2 PHE 5 HE2 PHE 5 7.285 -10.300 -7.626 46 HZ PHE 5 HZ PHE 5 7.164 -12.318 -9.033 47 H MET 6 H MET 6 6.726 -6.820 -14.216 48 HA MET 6 HA MET 6 5.682 -9.307 -14.984 49 HB2 MET 6 HB2 MET 6 3.627 -8.527 -16.164 50 HB3 MET 6 HB3 MET 6 3.510 -8.454 -14.411 51 HG2 MET 6 HG2 MET 6 2.626 -6.433 -14.930 52 HG3 MET 6 HG3 MET 6 4.324 -5.980 -14.805 53 HE1 MET 6 HE1 MET 6 1.560 -4.944 -16.274 54 HE2 MET 6 HE2 MET 6 2.843 -3.755 -16.502 55 HE3 MET 6 HE3 MET 6 1.974 -4.394 -17.898 56 H THR 7 H THR 7 6.050 -9.739 -17.149 57 HA THR 7 HA THR 7 7.647 -7.727 -18.539 58 HB THR 7 HB THR 7 8.485 -9.479 -19.914 59 HG1 THR 7 HG1 THR 7 7.432 -11.319 -20.250 60 HG21 THR 7 HG21 THR 7 8.927 -9.436 -17.266 61 HG22 THR 7 HG22 THR 7 9.700 -10.592 -18.350 62 HG23 THR 7 HG23 THR 7 8.276 -11.067 -17.425 63 H ARG 8 H ARG 8 7.411 -8.123 -21.105 64 HA ARG 8 HA ARG 8 5.117 -6.822 -21.908 65 HB2 ARG 8 HB2 ARG 8 5.666 -7.676 -24.210 66 HB3 ARG 8 HB3 ARG 8 6.997 -6.885 -23.375 67 HG2 ARG 8 HG2 ARG 8 7.790 -9.178 -22.704 68 HG3 ARG 8 HG3 ARG 8 6.587 -9.827 -23.820 69 HD2 ARG 8 HD2 ARG 8 7.697 -8.211 -25.529 70 HD3 ARG 8 HD3 ARG 8 9.051 -8.234 -24.400 71 HE ARG 8 HE ARG 8 8.095 -10.846 -25.146 72 HH11 ARG 8 HH11 ARG 8 10.242 -8.227 -25.956 73 HH12 ARG 8 HH12 ARG 8 11.324 -9.225 -26.870 74 HH21 ARG 8 HH21 ARG 8 9.513 -12.169 -26.346 75 HH22 ARG 8 HH22 ARG 8 10.908 -11.467 -27.092 76 H THR 9 H THR 9 5.768 -10.311 -21.927 77 HA THR 9 HA THR 9 3.260 -11.046 -23.035 78 HB THR 9 HB THR 9 4.887 -12.855 -21.266 79 HG1 THR 9 HG1 THR 9 5.406 -12.445 -24.029 80 HG21 THR 9 HG21 THR 9 2.765 -13.717 -22.113 81 HG22 THR 9 HG22 THR 9 4.121 -14.562 -22.859 82 HG23 THR 9 HG23 THR 9 3.251 -13.323 -23.762 83 H GLU 10 H GLU 10 4.506 -11.081 -19.699 84 HA GLU 10 HA GLU 10 2.172 -12.038 -18.478 85 HB2 GLU 10 HB2 GLU 10 4.151 -10.136 -17.221 86 HB3 GLU 10 HB3 GLU 10 3.119 -11.301 -16.403 87 HG2 GLU 10 HG2 GLU 10 4.363 -13.123 -17.518 88 HG3 GLU 10 HG3 GLU 10 5.446 -11.915 -18.208 89 H ALA 11 H ALA 11 2.900 -8.981 -19.833 90 HA ALA 11 HA ALA 11 1.428 -7.183 -18.367 91 HB1 ALA 11 HB1 ALA 11 1.183 -7.036 -21.323 92 HB2 ALA 11 HB2 ALA 11 1.581 -5.776 -20.155 93 HB3 ALA 11 HB3 ALA 11 2.798 -6.965 -20.618 94 H LEU 12 H LEU 12 0.281 -9.708 -20.490 95 HA LEU 12 HA LEU 12 -2.301 -8.908 -21.020 96 HB2 LEU 12 HB2 LEU 12 -1.459 -11.707 -20.288 97 HB3 LEU 12 HB3 LEU 12 -2.865 -11.244 -21.244 98 HG LEU 12 HG LEU 12 -0.157 -10.486 -22.232 99 HD11 LEU 12 HD11 LEU 12 -1.342 -13.242 -22.529 100 HD12 LEU 12 HD12 LEU 12 0.078 -12.834 -21.566 101 HD13 LEU 12 HD13 LEU 12 0.115 -12.638 -23.318 102 HD21 LEU 12 HD21 LEU 12 -2.659 -10.111 -23.187 103 HD22 LEU 12 HD22 LEU 12 -2.230 -11.626 -23.981 104 HD23 LEU 12 HD23 LEU 12 -1.216 -10.199 -24.197 105 H GLU 13 H GLU 13 -1.069 -10.533 -18.119 106 HA GLU 13 HA GLU 13 -3.548 -10.818 -16.816 107 HB2 GLU 13 HB2 GLU 13 -1.432 -11.995 -16.190 108 HB3 GLU 13 HB3 GLU 13 -0.837 -10.481 -15.524 109 HG2 GLU 13 HG2 GLU 13 -1.636 -11.479 -13.639 110 HG3 GLU 13 HG3 GLU 13 -3.058 -10.568 -14.143 111 H PHE 14 H PHE 14 -1.217 -8.188 -16.921 112 HA PHE 14 HA PHE 14 -2.331 -6.633 -14.844 113 HB2 PHE 14 HB2 PHE 14 -0.114 -6.119 -15.543 114 HB3 PHE 14 HB3 PHE 14 -0.613 -5.923 -17.220 115 HD1 PHE 14 HD2 PHE 14 -2.139 -4.539 -14.127 116 HD2 PHE 14 HD1 PHE 14 -0.061 -3.738 -17.754 117 HE1 PHE 14 HE2 PHE 14 -2.426 -2.124 -13.754 118 HE2 PHE 14 HE1 PHE 14 -0.345 -1.322 -17.387 119 HZ PHE 14 HZ PHE 14 -1.530 -0.512 -15.386 120 H LEU 15 H LEU 15 -2.835 -6.630 -18.353 121 HA LEU 15 HA LEU 15 -4.679 -4.467 -18.346 122 HB2 LEU 15 HB2 LEU 15 -4.406 -6.653 -20.399 123 HB3 LEU 15 HB3 LEU 15 -5.130 -5.064 -20.633 124 HG LEU 15 HG LEU 15 -2.266 -5.206 -19.831 125 HD11 LEU 15 HD11 LEU 15 -2.788 -5.283 -22.728 126 HD12 LEU 15 HD12 LEU 15 -3.014 -6.804 -21.865 127 HD13 LEU 15 HD13 LEU 15 -1.462 -5.970 -21.790 128 HD21 LEU 15 HD21 LEU 15 -3.589 -3.081 -20.091 129 HD22 LEU 15 HD22 LEU 15 -3.683 -3.439 -21.816 130 HD23 LEU 15 HD23 LEU 15 -2.113 -3.177 -21.053 131 H LEU 16 H LEU 16 -4.981 -7.940 -18.015 132 HA LEU 16 HA LEU 16 -7.825 -7.997 -18.325 133 HB2 LEU 16 HB2 LEU 16 -6.035 -9.893 -18.569 134 HB3 LEU 16 HB3 LEU 16 -6.316 -10.101 -16.842 135 HG LEU 16 HG LEU 16 -8.500 -10.239 -18.914 136 HD11 LEU 16 HD11 LEU 16 -7.991 -12.352 -19.375 137 HD12 LEU 16 HD12 LEU 16 -7.763 -12.745 -17.672 138 HD13 LEU 16 HD13 LEU 16 -6.432 -12.059 -18.604 139 HD21 LEU 16 HD21 LEU 16 -8.320 -10.688 -15.969 140 HD22 LEU 16 HD22 LEU 16 -9.481 -11.613 -16.922 141 HD23 LEU 16 HD23 LEU 16 -9.557 -9.850 -16.906 142 H LYS 17 H LYS 17 -5.601 -7.955 -15.577 143 HA LYS 17 HA LYS 17 -7.676 -8.140 -13.613 144 HB2 LYS 17 HB2 LYS 17 -5.964 -7.900 -11.995 145 HB3 LYS 17 HB3 LYS 17 -5.255 -8.835 -13.305 146 HG2 LYS 17 HG2 LYS 17 -4.203 -6.774 -14.163 147 HG3 LYS 17 HG3 LYS 17 -4.852 -5.898 -12.775 148 HD2 LYS 17 HD2 LYS 17 -2.956 -8.243 -12.652 149 HD3 LYS 17 HD3 LYS 17 -2.517 -6.549 -12.420 150 HE2 LYS 17 HE2 LYS 17 -4.377 -8.187 -10.701 151 HE3 LYS 17 HE3 LYS 17 -2.757 -7.636 -10.273 152 HZ1 LYS 17 HZ1 LYS 17 -4.407 -6.219 -9.273 153 HZ2 LYS 17 HZ2 LYS 17 -5.121 -5.909 -10.775 154 HZ3 LYS 17 HZ3 LYS 17 -3.561 -5.343 -10.447 155 H ALA 18 H ALA 18 -6.062 -5.557 -15.300 156 HA ALA 18 HA ALA 18 -6.851 -3.460 -13.534 157 HB1 ALA 18 HB1 ALA 18 -6.323 -2.033 -15.618 158 HB2 ALA 18 HB2 ALA 18 -5.011 -2.923 -14.844 159 HB3 ALA 18 HB3 ALA 18 -5.752 -3.548 -16.317 160 H HIS 19 H HIS 19 -8.252 -4.958 -16.387 161 HA HIS 19 HA HIS 19 -10.217 -3.080 -16.997 162 HB2 HIS 19 HB2 HIS 19 -9.507 -5.320 -18.181 163 HB3 HIS 19 HB3 HIS 19 -10.817 -6.004 -17.222 164 HD1 HIS 19 HD1 HIS 19 -13.139 -5.706 -18.104 165 HD2 HIS 19 HD2 HIS 19 -10.391 -3.237 -20.005 166 HE1 HIS 19 HE1 HIS 19 -14.394 -4.642 -20.006 167 H GLN 20 H GLN 20 -10.236 -5.722 -14.651 168 HA GLN 20 HA GLN 20 -12.910 -5.668 -13.910 169 HB2 GLN 20 HB2 GLN 20 -11.112 -7.307 -13.176 170 HB3 GLN 20 HB3 GLN 20 -10.633 -6.109 -11.981 171 HG2 GLN 20 HG2 GLN 20 -13.471 -7.018 -12.117 172 HG3 GLN 20 HG3 GLN 20 -12.256 -8.025 -11.331 173 HE21 GLN 20 HE21 GLN 20 -14.227 -7.227 -9.780 174 HE22 GLN 20 HE22 GLN 20 -13.737 -5.962 -8.711 175 H THR 21 H THR 21 -10.241 -3.616 -12.880 176 HA THR 21 HA THR 21 -11.678 -2.279 -10.818 177 HB THR 21 HB THR 21 -9.350 -1.066 -12.287 178 HG1 THR 21 HG1 THR 21 -9.078 -2.911 -10.146 179 HG21 THR 21 HG21 THR 21 -10.420 -0.940 -9.475 180 HG22 THR 21 HG22 THR 21 -10.232 0.377 -10.632 181 HG23 THR 21 HG23 THR 21 -8.809 -0.368 -9.904 182 H ALA 22 H ALA 22 -10.937 -1.482 -14.196 183 HA ALA 22 HA ALA 22 -12.136 1.065 -14.213 184 HB1 ALA 22 HB1 ALA 22 -10.917 0.915 -16.092 185 HB2 ALA 22 HB2 ALA 22 -11.130 -0.832 -16.214 186 HB3 ALA 22 HB3 ALA 22 -12.396 0.253 -16.789 187 H VAL 23 H VAL 23 -13.402 -2.071 -15.349 188 HA VAL 23 HA VAL 23 -15.931 -1.239 -16.113 189 HB VAL 23 HB VAL 23 -15.226 -3.887 -14.840 190 HG11 VAL 23 HG11 VAL 23 -17.157 -4.487 -16.578 191 HG12 VAL 23 HG12 VAL 23 -17.492 -4.035 -14.906 192 HG13 VAL 23 HG13 VAL 23 -17.642 -2.837 -16.192 193 HG21 VAL 23 HG21 VAL 23 -15.477 -3.996 -17.680 194 HG22 VAL 23 HG22 VAL 23 -14.320 -2.735 -17.255 195 HG23 VAL 23 HG23 VAL 23 -14.079 -4.383 -16.676 196 H ASP 24 H ASP 24 -14.677 -1.936 -12.916 197 HA ASP 24 HA ASP 24 -17.277 -1.787 -11.662 198 HB2 ASP 24 HB2 ASP 24 -15.140 -3.132 -10.915 199 HB3 ASP 24 HB3 ASP 24 -14.719 -1.617 -10.120 200 H LYS 25 H LYS 25 -14.659 0.352 -12.408 201 HA LYS 25 HA LYS 25 -15.286 2.385 -10.516 202 HB2 LYS 25 HB2 LYS 25 -13.114 1.981 -11.922 203 HB3 LYS 25 HB3 LYS 25 -13.936 2.962 -13.128 204 HG2 LYS 25 HG2 LYS 25 -14.215 4.718 -11.347 205 HG3 LYS 25 HG3 LYS 25 -13.126 3.755 -10.345 206 HD2 LYS 25 HD2 LYS 25 -11.304 4.175 -11.689 207 HD3 LYS 25 HD3 LYS 25 -12.294 4.472 -13.120 208 HE2 LYS 25 HE2 LYS 25 -12.498 6.328 -10.793 209 HE3 LYS 25 HE3 LYS 25 -11.106 6.450 -11.868 210 HZ1 LYS 25 HZ1 LYS 25 -13.345 7.757 -12.305 211 HZ2 LYS 25 HZ2 LYS 25 -13.742 6.325 -13.112 212 HZ3 LYS 25 HZ3 LYS 25 -12.370 7.202 -13.571 213 H ILE 26 H ILE 26 -16.112 1.858 -13.920 214 HA ILE 26 HA ILE 26 -17.633 4.285 -14.117 215 HB ILE 26 HB ILE 26 -17.708 1.909 -15.976 216 HG12 ILE 26 HG12 ILE 26 -15.925 4.353 -16.070 217 HG13 ILE 26 HG13 ILE 26 -15.401 2.723 -15.660 218 HG21 ILE 26 HG21 ILE 26 -18.384 3.605 -17.642 219 HG22 ILE 26 HG22 ILE 26 -19.542 3.434 -16.324 220 HG23 ILE 26 HG23 ILE 26 -18.438 4.809 -16.355 221 HD11 ILE 26 HD11 ILE 26 -15.705 3.952 -18.232 222 HD12 ILE 26 HD12 ILE 26 -14.958 2.413 -17.802 223 HD13 ILE 26 HD13 ILE 26 -16.690 2.494 -18.124 224 H GLY 27 H GLY 27 -18.258 1.036 -13.126 225 HA2 GLY 27 HA2 GLY 27 -20.133 0.147 -12.117 226 HA3 GLY 27 HA3 GLY 27 -20.893 1.726 -12.246 227 H HIS 28 H HIS 28 -19.588 -0.087 -14.958 228 HA HIS 28 HA HIS 28 -21.782 0.252 -16.607 229 HB2 HIS 28 HB2 HIS 28 -19.405 -1.493 -16.590 230 HB3 HIS 28 HB3 HIS 28 -20.758 -2.093 -17.545 231 HD1 HIS 28 HD1 HIS 28 -19.523 1.484 -17.189 232 HD2 HIS 28 HD2 HIS 28 -20.035 -1.456 -20.080 233 HE1 HIS 28 HE1 HIS 28 -18.955 2.586 -19.376 234 HA PRO 29 HA PRO 29 -24.892 -2.565 -15.326 235 HB2 PRO 29 HB2 PRO 29 -25.926 -3.369 -17.704 236 HB3 PRO 29 HB3 PRO 29 -26.184 -1.750 -17.043 237 HG2 PRO 29 HG2 PRO 29 -24.228 -2.658 -19.119 238 HG3 PRO 29 HG3 PRO 29 -25.243 -1.203 -19.097 239 HD2 PRO 29 HD2 PRO 29 -22.618 -1.160 -18.433 240 HD3 PRO 29 HD3 PRO 29 -23.809 -0.073 -17.690 241 H SER 30 H SER 30 -25.722 -4.829 -15.646 242 HA SER 30 HA SER 30 -23.526 -6.644 -16.405 243 HB2 SER 30 HB2 SER 30 -23.824 -6.527 -13.951 244 HB3 SER 30 HB3 SER 30 -25.504 -7.026 -14.144 245 HG SER 30 HG SER 30 -23.871 -8.714 -13.655 246 H HIS 31 H HIS 31 -25.993 -5.639 -17.830 247 HA HIS 31 HA HIS 31 -27.857 -7.753 -18.031 248 HB2 HIS 31 HB2 HIS 31 -27.904 -5.231 -18.879 249 HB3 HIS 31 HB3 HIS 31 -27.358 -5.980 -20.376 250 HD1 HIS 31 HD1 HIS 31 -29.389 -5.964 -21.808 251 HD2 HIS 31 HD2 HIS 31 -30.193 -7.332 -17.968 252 HE1 HIS 31 HE1 HIS 31 -31.783 -6.735 -21.856 253 H LYS 32 H LYS 32 -28.246 -8.955 -20.123 254 HA LYS 32 HA LYS 32 -26.173 -10.726 -20.633 255 HB2 LYS 32 HB2 LYS 32 -28.657 -10.026 -22.180 256 HB3 LYS 32 HB3 LYS 32 -27.533 -11.247 -22.761 257 HG2 LYS 32 HG2 LYS 32 -27.919 -12.631 -20.882 258 HG3 LYS 32 HG3 LYS 32 -28.783 -11.349 -20.030 259 HD2 LYS 32 HD2 LYS 32 -30.681 -11.590 -21.318 260 HD3 LYS 32 HD3 LYS 32 -29.797 -12.288 -22.677 261 HE2 LYS 32 HE2 LYS 32 -30.980 -14.092 -21.782 262 HE3 LYS 32 HE3 LYS 32 -29.356 -14.274 -21.119 263 HZ1 LYS 32 HZ1 LYS 32 -31.389 -12.791 -19.597 264 HZ2 LYS 32 HZ2 LYS 32 -30.040 -13.643 -19.034 265 HZ3 LYS 32 HZ3 LYS 32 -31.405 -14.483 -19.576 266 H GLN 33 H GLN 33 -24.894 -11.081 -22.538 267 HA GLN 33 HA GLN 33 -23.391 -8.910 -23.357 268 HB2 GLN 33 HB2 GLN 33 -22.538 -10.380 -25.155 269 HB3 GLN 33 HB3 GLN 33 -22.578 -11.180 -23.590 270 HG2 GLN 33 HG2 GLN 33 -23.510 -12.845 -24.765 271 HG3 GLN 33 HG3 GLN 33 -24.983 -11.904 -24.536 272 HE21 GLN 33 HE21 GLN 33 -26.050 -12.376 -26.368 273 HE22 GLN 33 HE22 GLN 33 -25.474 -12.021 -27.957 274 H THR 34 H THR 34 -23.403 -7.533 -25.085 275 HA THR 34 HA THR 34 -25.859 -7.534 -26.713 276 HB THR 34 HB THR 34 -24.984 -5.027 -27.061 277 HG1 THR 34 HG1 THR 34 -23.915 -4.271 -25.304 278 HG21 THR 34 HG21 THR 34 -26.999 -4.703 -26.171 279 HG22 THR 34 HG22 THR 34 -26.323 -4.960 -24.562 280 HG23 THR 34 HG23 THR 34 -26.967 -6.323 -25.476 281 HA PRO 35 HA PRO 35 -23.571 -7.919 -30.438 282 HB2 PRO 35 HB2 PRO 35 -24.916 -6.259 -32.113 283 HB3 PRO 35 HB3 PRO 35 -25.572 -7.805 -31.563 284 HG2 PRO 35 HG2 PRO 35 -26.132 -5.043 -30.554 285 HG3 PRO 35 HG3 PRO 35 -27.264 -6.373 -30.859 286 HD2 PRO 35 HD2 PRO 35 -26.376 -5.755 -28.376 287 HD3 PRO 35 HD3 PRO 35 -26.771 -7.416 -28.863 288 H ALA 36 H ALA 36 -24.167 -4.634 -29.306 289 HA ALA 36 HA ALA 36 -22.461 -3.215 -30.976 290 HB1 ALA 36 HB1 ALA 36 -22.685 -2.510 -28.079 291 HB2 ALA 36 HB2 ALA 36 -22.652 -1.452 -29.490 292 HB3 ALA 36 HB3 ALA 36 -24.095 -2.400 -29.133 293 H ASP 37 H ASP 37 -21.733 -5.325 -28.312 294 HA ASP 37 HA ASP 37 -19.199 -4.489 -27.578 295 HB2 ASP 37 HB2 ASP 37 -20.495 -6.306 -26.472 296 HB3 ASP 37 HB3 ASP 37 -20.118 -7.360 -27.832 297 H HIS 38 H HIS 38 -20.220 -6.307 -30.397 298 HA HIS 38 HA HIS 38 -17.800 -7.307 -31.294 299 HB2 HIS 38 HB2 HIS 38 -20.242 -7.488 -32.261 300 HB3 HIS 38 HB3 HIS 38 -19.725 -6.137 -33.265 301 HD1 HIS 38 HD1 HIS 38 -16.881 -6.982 -33.955 302 HD2 HIS 38 HD2 HIS 38 -20.118 -9.585 -33.977 303 HE1 HIS 38 HE1 HIS 38 -16.220 -8.863 -35.488 304 H ALA 39 H ALA 39 -19.266 -4.153 -32.064 305 HA ALA 39 HA ALA 39 -17.054 -3.220 -33.573 306 HB1 ALA 39 HB1 ALA 39 -19.158 -1.564 -32.189 307 HB2 ALA 39 HB2 ALA 39 -18.144 -1.080 -33.549 308 HB3 ALA 39 HB3 ALA 39 -19.366 -2.333 -33.762 309 H ALA 40 H ALA 40 -17.900 -3.081 -30.176 310 HA ALA 40 HA ALA 40 -16.178 -1.078 -29.303 311 HB1 ALA 40 HB1 ALA 40 -17.817 -3.055 -28.115 312 HB2 ALA 40 HB2 ALA 40 -16.229 -3.149 -27.351 313 HB3 ALA 40 HB3 ALA 40 -17.111 -1.621 -27.367 314 H ILE 41 H ILE 41 -15.507 -4.337 -30.306 315 HA ILE 41 HA ILE 41 -13.063 -4.813 -29.079 316 HB ILE 41 HB ILE 41 -13.890 -5.625 -31.868 317 HG12 ILE 41 HG12 ILE 41 -14.080 -7.238 -29.324 318 HG13 ILE 41 HG13 ILE 41 -15.416 -6.273 -29.940 319 HG21 ILE 41 HG21 ILE 41 -11.520 -5.897 -31.602 320 HG22 ILE 41 HG22 ILE 41 -11.742 -6.683 -30.039 321 HG23 ILE 41 HG23 ILE 41 -12.281 -7.486 -31.513 322 HD11 ILE 41 HD11 ILE 41 -14.190 -8.743 -31.079 323 HD12 ILE 41 HD12 ILE 41 -15.884 -8.383 -30.743 324 HD13 ILE 41 HD13 ILE 41 -15.075 -7.622 -32.113 325 H GLU 42 H GLU 42 -13.861 -2.704 -31.727 326 HA GLU 42 HA GLU 42 -11.367 -2.383 -32.922 327 HB2 GLU 42 HB2 GLU 42 -12.203 -0.366 -33.857 328 HB3 GLU 42 HB3 GLU 42 -13.577 -1.455 -33.719 329 HG2 GLU 42 HG2 GLU 42 -13.966 -0.257 -31.450 330 HG3 GLU 42 HG3 GLU 42 -12.945 0.999 -32.146 331 H ALA 43 H ALA 43 -12.596 -1.180 -29.903 332 HA ALA 43 HA ALA 43 -10.494 0.769 -29.556 333 HB1 ALA 43 HB1 ALA 43 -12.941 0.006 -28.154 334 HB2 ALA 43 HB2 ALA 43 -11.610 0.444 -27.081 335 HB3 ALA 43 HB3 ALA 43 -12.164 1.582 -28.309 336 H LEU 44 H LEU 44 -11.196 -2.509 -28.502 337 HA LEU 44 HA LEU 44 -9.046 -2.641 -26.618 338 HB2 LEU 44 HB2 LEU 44 -10.579 -4.870 -27.949 339 HB3 LEU 44 HB3 LEU 44 -9.535 -5.029 -26.539 340 HG LEU 44 HG LEU 44 -11.877 -3.185 -26.405 341 HD11 LEU 44 HD11 LEU 44 -12.054 -6.013 -26.936 342 HD12 LEU 44 HD12 LEU 44 -13.335 -4.807 -26.816 343 HD13 LEU 44 HD13 LEU 44 -12.747 -5.616 -25.363 344 HD21 LEU 44 HD21 LEU 44 -11.810 -3.746 -24.076 345 HD22 LEU 44 HD22 LEU 44 -10.175 -3.337 -24.596 346 HD23 LEU 44 HD23 LEU 44 -10.632 -5.026 -24.369 347 H ASP 45 H ASP 45 -9.371 -3.129 -30.025 348 HA ASP 45 HA ASP 45 -7.162 -4.810 -30.482 349 HB2 ASP 45 HB2 ASP 45 -8.903 -4.345 -32.172 350 HB3 ASP 45 HB3 ASP 45 -8.315 -2.691 -32.308 351 H ARG 46 H ARG 46 -7.393 -1.447 -29.728 352 HA ARG 46 HA ARG 46 -4.893 -0.610 -30.766 353 HB2 ARG 46 HB2 ARG 46 -6.828 0.487 -28.763 354 HB3 ARG 46 HB3 ARG 46 -5.227 1.202 -28.893 355 HG2 ARG 46 HG2 ARG 46 -7.081 0.873 -31.236 356 HG3 ARG 46 HG3 ARG 46 -7.026 2.322 -30.229 357 HD2 ARG 46 HD2 ARG 46 -4.478 2.258 -30.744 358 HD3 ARG 46 HD3 ARG 46 -4.956 1.223 -32.088 359 HE ARG 46 HE ARG 46 -6.590 3.419 -32.255 360 HH11 ARG 46 HH11 ARG 46 -3.155 2.853 -32.249 361 HH12 ARG 46 HH12 ARG 46 -2.795 4.224 -33.244 362 HH21 ARG 46 HH21 ARG 46 -6.129 5.227 -33.566 363 HH22 ARG 46 HH22 ARG 46 -4.488 5.575 -33.992 364 H LEU 47 H LEU 47 -5.852 -1.179 -27.373 365 HA LEU 47 HA LEU 47 -3.298 -1.070 -26.281 366 HB2 LEU 47 HB2 LEU 47 -4.216 -1.917 -24.325 367 HB3 LEU 47 HB3 LEU 47 -5.577 -1.127 -25.119 368 HG LEU 47 HG LEU 47 -5.976 -3.596 -26.029 369 HD11 LEU 47 HD11 LEU 47 -4.614 -5.083 -25.094 370 HD12 LEU 47 HD12 LEU 47 -5.480 -4.798 -23.584 371 HD13 LEU 47 HD13 LEU 47 -4.000 -3.904 -23.934 372 HD21 LEU 47 HD21 LEU 47 -6.767 -2.458 -23.357 373 HD22 LEU 47 HD22 LEU 47 -7.467 -3.931 -24.029 374 HD23 LEU 47 HD23 LEU 47 -7.665 -2.395 -24.874 375 H LEU 48 H LEU 48 -5.004 -3.733 -27.803 376 HA LEU 48 HA LEU 48 -3.251 -5.801 -27.018 377 HB2 LEU 48 HB2 LEU 48 -5.048 -5.545 -29.424 378 HB3 LEU 48 HB3 LEU 48 -4.209 -7.025 -28.964 379 HG LEU 48 HG LEU 48 -6.077 -5.707 -27.035 380 HD11 LEU 48 HD11 LEU 48 -7.402 -7.794 -28.451 381 HD12 LEU 48 HD12 LEU 48 -6.853 -6.579 -29.605 382 HD13 LEU 48 HD13 LEU 48 -7.883 -6.108 -28.253 383 HD21 LEU 48 HD21 LEU 48 -6.397 -8.080 -26.360 384 HD22 LEU 48 HD22 LEU 48 -4.741 -7.501 -26.174 385 HD23 LEU 48 HD23 LEU 48 -5.166 -8.536 -27.539 386 H LEU 49 H LEU 49 -3.474 -4.027 -30.106 387 HA LEU 49 HA LEU 49 -1.249 -5.143 -31.338 388 HB2 LEU 49 HB2 LEU 49 -2.752 -3.841 -32.626 389 HB3 LEU 49 HB3 LEU 49 -2.519 -2.430 -31.596 390 HG LEU 49 HG LEU 49 -0.164 -2.309 -32.443 391 HD11 LEU 49 HD11 LEU 49 0.053 -4.627 -33.176 392 HD12 LEU 49 HD12 LEU 49 0.378 -3.505 -34.496 393 HD13 LEU 49 HD13 LEU 49 -1.166 -4.353 -34.421 394 HD21 LEU 49 HD21 LEU 49 -2.461 -1.296 -33.481 395 HD22 LEU 49 HD22 LEU 49 -1.779 -2.114 -34.887 396 HD23 LEU 49 HD23 LEU 49 -0.840 -0.883 -34.041 397 H ASP 50 H ASP 50 -1.472 -2.370 -29.159 398 HA ASP 50 HA ASP 50 1.184 -1.490 -29.386 399 HB2 ASP 50 HB2 ASP 50 -0.976 -1.170 -27.346 400 HB3 ASP 50 HB3 ASP 50 0.663 -0.684 -26.922 401 H VAL 51 H VAL 51 -0.307 -3.603 -26.933 402 HA VAL 51 HA VAL 51 1.956 -4.170 -25.442 403 HB VAL 51 HB VAL 51 -0.372 -5.997 -26.047 404 HG11 VAL 51 HG11 VAL 51 1.147 -7.482 -25.178 405 HG12 VAL 51 HG12 VAL 51 1.959 -6.253 -24.208 406 HG13 VAL 51 HG13 VAL 51 0.393 -6.886 -23.700 407 HG21 VAL 51 HG21 VAL 51 -1.567 -4.796 -24.605 408 HG22 VAL 51 HG22 VAL 51 -0.280 -4.850 -23.401 409 HG23 VAL 51 HG23 VAL 51 -0.278 -3.592 -24.637 410 H ARG 52 H ARG 52 0.642 -6.041 -28.178 411 HA ARG 52 HA ARG 52 2.756 -7.912 -28.257 412 HB2 ARG 52 HB2 ARG 52 1.860 -8.582 -30.406 413 HB3 ARG 52 HB3 ARG 52 0.537 -8.289 -29.285 414 HG2 ARG 52 HG2 ARG 52 0.155 -6.101 -30.301 415 HG3 ARG 52 HG3 ARG 52 1.485 -6.393 -31.423 416 HD2 ARG 52 HD2 ARG 52 -0.192 -8.635 -31.603 417 HD3 ARG 52 HD3 ARG 52 -1.258 -7.232 -31.585 418 HE ARG 52 HE ARG 52 0.909 -6.861 -33.385 419 HH11 ARG 52 HH11 ARG 52 -2.152 -8.477 -33.020 420 HH12 ARG 52 HH12 ARG 52 -2.475 -8.531 -34.722 421 HH21 ARG 52 HH21 ARG 52 0.497 -6.926 -35.628 422 HH22 ARG 52 HH22 ARG 52 -0.967 -7.649 -36.204 423 H ALA 53 H ALA 53 2.385 -4.711 -29.542 424 HA ALA 53 HA ALA 53 4.499 -4.896 -31.466 425 HB1 ALA 53 HB1 ALA 53 2.762 -3.281 -31.820 426 HB2 ALA 53 HB2 ALA 53 3.091 -2.517 -30.265 427 HB3 ALA 53 HB3 ALA 53 4.280 -2.421 -31.564 428 H ARG 54 H ARG 54 4.438 -4.691 -28.111 429 HA ARG 54 HA ARG 54 6.051 -4.401 -26.533 430 HB2 ARG 54 HB2 ARG 54 8.067 -4.290 -28.772 431 HB3 ARG 54 HB3 ARG 54 8.319 -4.808 -27.110 432 HG2 ARG 54 HG2 ARG 54 6.628 -6.671 -27.668 433 HG3 ARG 54 HG3 ARG 54 6.966 -6.255 -29.349 434 HD2 ARG 54 HD2 ARG 54 9.419 -6.532 -28.776 435 HD3 ARG 54 HD3 ARG 54 8.884 -7.251 -27.258 436 HE ARG 54 HE ARG 54 8.383 -9.164 -28.397 437 HH11 ARG 54 HH11 ARG 54 8.621 -6.536 -30.669 438 HH12 ARG 54 HH12 ARG 54 8.466 -7.555 -32.062 439 HH21 ARG 54 HH21 ARG 54 8.178 -10.515 -30.224 440 HH22 ARG 54 HH22 ARG 54 8.213 -9.817 -31.808 441 H ARG 55 H ARG 55 4.725 -2.154 -27.100 442 HA ARG 55 HA ARG 55 6.815 -0.098 -26.929 443 HB2 ARG 55 HB2 ARG 55 4.416 -0.131 -28.731 444 HB3 ARG 55 HB3 ARG 55 5.067 1.398 -28.156 445 HG2 ARG 55 HG2 ARG 55 6.861 -0.606 -29.456 446 HG3 ARG 55 HG3 ARG 55 5.845 0.458 -30.432 447 HD2 ARG 55 HD2 ARG 55 7.675 1.495 -28.285 448 HD3 ARG 55 HD3 ARG 55 8.214 1.248 -29.945 449 HE ARG 55 HE ARG 55 6.610 3.392 -28.967 450 HH11 ARG 55 HH11 ARG 55 7.213 1.389 -31.750 451 HH12 ARG 55 HH12 ARG 55 6.654 2.572 -32.885 452 HH21 ARG 55 HH21 ARG 55 5.871 4.957 -30.452 453 HH22 ARG 55 HH22 ARG 55 5.891 4.602 -32.146 454 H VAL 56 H VAL 56 5.099 -1.537 -24.969 455 HA VAL 56 HA VAL 56 3.388 0.614 -23.968 456 HB VAL 56 HB VAL 56 2.440 -1.652 -24.025 457 HG11 VAL 56 HG11 VAL 56 4.924 -2.484 -23.228 458 HG12 VAL 56 HG12 VAL 56 3.973 -2.661 -21.752 459 HG13 VAL 56 HG13 VAL 56 3.466 -3.476 -23.233 460 HG21 VAL 56 HG21 VAL 56 1.361 -1.517 -21.978 461 HG22 VAL 56 HG22 VAL 56 2.813 -0.979 -21.132 462 HG23 VAL 56 HG23 VAL 56 1.955 0.128 -22.203 463 H ASP 57 H ASP 57 3.645 1.546 -21.944 464 HA ASP 57 HA ASP 57 6.262 1.082 -20.670 465 HB2 ASP 57 HB2 ASP 57 6.301 3.429 -20.043 466 HB3 ASP 57 HB3 ASP 57 6.080 3.288 -21.785 467 H GLN 58 H GLN 58 6.147 2.186 -18.333 468 HA GLN 58 HA GLN 58 4.003 0.752 -16.963 469 HB2 GLN 58 HB2 GLN 58 5.352 1.024 -14.951 470 HB3 GLN 58 HB3 GLN 58 6.319 0.340 -16.251 471 HG2 GLN 58 HG2 GLN 58 7.768 1.890 -15.422 472 HG3 GLN 58 HG3 GLN 58 6.967 2.839 -16.673 473 HE21 GLN 58 HE21 GLN 58 6.319 1.930 -13.300 474 HE22 GLN 58 HE22 GLN 58 5.928 3.526 -12.767 475 H PHE 59 H PHE 59 2.652 1.709 -15.432 476 HA PHE 59 HA PHE 59 2.774 4.438 -14.699 477 HB2 PHE 59 HB2 PHE 59 2.047 4.498 -17.173 478 HB3 PHE 59 HB3 PHE 59 0.510 3.863 -16.596 479 HD1 PHE 59 HD2 PHE 59 2.885 6.680 -16.156 480 HD2 PHE 59 HD1 PHE 59 -1.119 5.293 -15.754 481 HE1 PHE 59 HE2 PHE 59 2.153 8.964 -15.611 482 HE2 PHE 59 HE1 PHE 59 -1.858 7.576 -15.210 483 HZ PHE 59 HZ PHE 59 -0.221 9.415 -15.136 484 H GLN 60 H GLN 60 0.919 5.104 -13.399 485 HA GLN 60 HA GLN 60 -0.738 2.855 -12.483 486 HB2 GLN 60 HB2 GLN 60 -0.473 3.808 -10.146 487 HB3 GLN 60 HB3 GLN 60 0.934 2.992 -10.815 488 HG2 GLN 60 HG2 GLN 60 2.123 4.942 -11.057 489 HG3 GLN 60 HG3 GLN 60 0.673 5.942 -11.128 490 HE21 GLN 60 HE21 GLN 60 -0.664 5.795 -9.033 491 HE22 GLN 60 HE22 GLN 60 0.235 5.962 -7.567 492 H ILE 61 H ILE 61 -2.818 3.348 -11.888 493 HA ILE 61 HA ILE 61 -3.826 5.890 -12.825 494 HB ILE 61 HB ILE 61 -5.309 3.561 -11.599 495 HG12 ILE 61 HG12 ILE 61 -5.116 4.341 -14.511 496 HG13 ILE 61 HG13 ILE 61 -4.081 3.126 -13.769 497 HG21 ILE 61 HG21 ILE 61 -6.215 6.119 -12.872 498 HG22 ILE 61 HG22 ILE 61 -7.242 4.686 -12.861 499 HG23 ILE 61 HG23 ILE 61 -6.714 5.404 -11.339 500 HD11 ILE 61 HD11 ILE 61 -6.456 2.162 -13.036 501 HD12 ILE 61 HD12 ILE 61 -6.928 2.993 -14.519 502 HD13 ILE 61 HD13 ILE 61 -5.677 1.751 -14.563 503 H ASN 62 H ASN 62 -3.974 4.075 -9.758 504 HA ASN 62 HA ASN 62 -3.813 6.557 -8.271 505 HB2 ASN 62 HB2 ASN 62 -6.266 4.814 -8.279 506 HB3 ASN 62 HB3 ASN 62 -5.857 5.801 -6.879 507 HD21 ASN 62 HD21 ASN 62 -5.061 8.116 -7.767 508 HD22 ASN 62 HD22 ASN 62 -6.241 8.881 -8.770 509 H ALA 63 H ALA 63 -4.155 5.893 -5.783 510 HA ALA 63 HA ALA 63 -2.482 3.502 -5.364 511 HB1 ALA 63 HB1 ALA 63 -2.606 5.932 -3.587 512 HB2 ALA 63 HB2 ALA 63 -1.480 4.578 -3.478 513 HB3 ALA 63 HB3 ALA 63 -1.397 5.687 -4.847 514 H SER 64 H SER 64 -5.305 3.360 -5.519 515 HA SER 64 HA SER 64 -6.064 2.897 -2.712 516 HB2 SER 64 HB2 SER 64 -7.821 3.313 -5.143 517 HB3 SER 64 HB3 SER 64 -8.410 2.977 -3.515 518 HG SER 64 HG SER 64 -7.767 4.943 -2.858 519 H ALA 65 H ALA 65 -5.626 1.438 -5.825 520 HA ALA 65 HA ALA 65 -6.435 -1.161 -4.691 521 HB1 ALA 65 HB1 ALA 65 -7.497 0.115 -6.941 522 HB2 ALA 65 HB2 ALA 65 -6.465 -1.172 -7.566 523 HB3 ALA 65 HB3 ALA 65 -7.759 -1.553 -6.430 524 H ALA 66 H ALA 66 -5.448 -2.935 -6.360 525 HA ALA 66 HA ALA 66 -2.760 -3.147 -5.775 526 HB1 ALA 66 HB1 ALA 66 -4.116 -4.366 -8.175 527 HB2 ALA 66 HB2 ALA 66 -2.666 -4.952 -7.359 528 HB3 ALA 66 HB3 ALA 66 -4.223 -5.000 -6.533 529 H GLN 67 H GLN 67 -0.855 -2.690 -6.827 530 HA GLN 67 HA GLN 67 -1.072 -0.899 -9.157 531 HB2 GLN 67 HB2 GLN 67 0.975 -0.874 -6.933 532 HB3 GLN 67 HB3 GLN 67 1.029 0.154 -8.359 533 HG2 GLN 67 HG2 GLN 67 -1.399 0.185 -6.636 534 HG3 GLN 67 HG3 GLN 67 0.050 1.038 -6.108 535 HE21 GLN 67 HE21 GLN 67 0.381 3.020 -6.848 536 HE22 GLN 67 HE22 GLN 67 -0.472 3.761 -8.156 537 H ILE 68 H ILE 68 -0.100 -1.539 -10.963 538 HA ILE 68 HA ILE 68 1.909 -3.689 -10.774 539 HB ILE 68 HB ILE 68 0.108 -3.166 -13.137 540 HG12 ILE 68 HG12 ILE 68 -0.820 -5.488 -12.195 541 HG13 ILE 68 HG13 ILE 68 -0.296 -4.784 -10.670 542 HG21 ILE 68 HG21 ILE 68 0.834 -5.379 -13.859 543 HG22 ILE 68 HG22 ILE 68 2.212 -4.301 -13.641 544 HG23 ILE 68 HG23 ILE 68 1.847 -5.523 -12.423 545 HD11 ILE 68 HD11 ILE 68 -2.647 -4.247 -12.209 546 HD12 ILE 68 HD12 ILE 68 -2.220 -3.703 -10.586 547 HD13 ILE 68 HD13 ILE 68 -1.711 -2.768 -11.993 548 H ILE 69 H ILE 69 3.741 -3.567 -12.051 549 HA ILE 69 HA ILE 69 4.118 -1.091 -13.593 550 HB ILE 69 HB ILE 69 6.137 -2.292 -11.694 551 HG12 ILE 69 HG12 ILE 69 5.842 0.175 -10.772 552 HG13 ILE 69 HG13 ILE 69 4.260 0.027 -11.531 553 HG21 ILE 69 HG21 ILE 69 7.126 0.129 -12.384 554 HG22 ILE 69 HG22 ILE 69 7.579 -1.385 -13.164 555 HG23 ILE 69 HG23 ILE 69 6.350 -0.352 -13.893 556 HD11 ILE 69 HD11 ILE 69 4.930 -2.284 -9.914 557 HD12 ILE 69 HD12 ILE 69 4.934 -0.780 -8.993 558 HD13 ILE 69 HD13 ILE 69 3.495 -1.259 -9.893 559 H VAL 70 H VAL 70 5.391 -1.248 -15.416 560 HA VAL 70 HA VAL 70 5.769 -3.937 -16.438 561 HB VAL 70 HB VAL 70 6.232 -1.264 -17.768 562 HG11 VAL 70 HG11 VAL 70 7.044 -3.884 -18.523 563 HG12 VAL 70 HG12 VAL 70 5.782 -3.346 -19.633 564 HG13 VAL 70 HG13 VAL 70 7.235 -2.371 -19.408 565 HG21 VAL 70 HG21 VAL 70 3.859 -1.941 -17.071 566 HG22 VAL 70 HG22 VAL 70 4.118 -1.466 -18.750 567 HG23 VAL 70 HG23 VAL 70 3.985 -3.173 -18.327 568 H THR 71 H THR 71 7.500 -4.584 -15.045 569 HA THR 71 HA THR 71 10.089 -3.327 -15.678 570 HB THR 71 HB THR 71 9.754 -3.168 -13.335 571 HG1 THR 71 HG1 THR 71 11.618 -4.068 -12.795 572 HG21 THR 71 HG21 THR 71 8.547 -5.842 -13.660 573 HG22 THR 71 HG22 THR 71 8.114 -4.527 -12.567 574 HG23 THR 71 HG23 THR 71 9.466 -5.590 -12.177 575 H ASP 72 H ASP 72 10.027 -4.634 -17.672 576 HA ASP 72 HA ASP 72 9.952 -7.390 -17.814 577 HB2 ASP 72 HB2 ASP 72 10.054 -5.824 -19.760 578 HB3 ASP 72 HB3 ASP 72 11.773 -5.608 -19.442 Start of MODEL 12 1 H1 MET 1 H MET 1 1.762 -1.018 -1.366 2 HA MET 1 HA MET 1 0.894 0.946 -3.341 3 HB2 MET 1 HB2 MET 1 3.242 -0.954 -3.449 4 HB3 MET 1 HB3 MET 1 2.943 0.405 -4.525 5 HG2 MET 1 HG2 MET 1 3.543 0.561 -1.581 6 HG3 MET 1 HG3 MET 1 4.643 0.956 -2.899 7 HE1 MET 1 HE1 MET 1 1.882 3.260 -0.576 8 HE2 MET 1 HE2 MET 1 3.159 2.079 -0.283 9 HE3 MET 1 HE3 MET 1 3.571 3.770 -0.573 10 H ASP 2 H ASP 2 1.115 -2.534 -2.882 11 HA ASP 2 HA ASP 2 0.172 -4.286 -3.985 12 HB2 ASP 2 HB2 ASP 2 -1.585 -2.242 -5.351 13 HB3 ASP 2 HB3 ASP 2 -1.927 -3.952 -5.101 14 H ARG 3 H ARG 3 2.495 -3.061 -5.084 15 HA ARG 3 HA ARG 3 2.308 -2.685 -7.875 16 HB2 ARG 3 HB2 ARG 3 4.709 -3.616 -6.293 17 HB3 ARG 3 HB3 ARG 3 4.729 -2.881 -7.890 18 HG2 ARG 3 HG2 ARG 3 3.977 -0.785 -7.000 19 HG3 ARG 3 HG3 ARG 3 3.744 -1.501 -5.404 20 HD2 ARG 3 HD2 ARG 3 5.811 -0.246 -5.447 21 HD3 ARG 3 HD3 ARG 3 6.159 -1.967 -5.288 22 HE ARG 3 HE ARG 3 6.197 -1.097 -8.008 23 HH11 ARG 3 HH11 ARG 3 8.057 -1.228 -5.068 24 HH12 ARG 3 HH12 ARG 3 9.587 -1.177 -5.880 25 HH21 ARG 3 HH21 ARG 3 8.205 -1.030 -9.088 26 HH22 ARG 3 HH22 ARG 3 9.669 -1.063 -8.166 27 H ILE 4 H ILE 4 2.614 -4.061 -9.587 28 HA ILE 4 HA ILE 4 3.010 -6.909 -9.010 29 HB ILE 4 HB ILE 4 0.819 -5.852 -10.800 30 HG12 ILE 4 HG12 ILE 4 0.516 -7.436 -8.249 31 HG13 ILE 4 HG13 ILE 4 0.475 -5.676 -8.282 32 HG21 ILE 4 HG21 ILE 4 1.542 -8.684 -10.060 33 HG22 ILE 4 HG22 ILE 4 0.177 -8.188 -11.059 34 HG23 ILE 4 HG23 ILE 4 1.826 -7.922 -11.625 35 HD11 ILE 4 HD11 ILE 4 -1.733 -6.013 -8.474 36 HD12 ILE 4 HD12 ILE 4 -1.345 -6.230 -10.181 37 HD13 ILE 4 HD13 ILE 4 -1.538 -7.636 -9.135 38 H PHE 5 H PHE 5 4.849 -7.338 -10.048 39 HA PHE 5 HA PHE 5 5.625 -5.973 -12.448 40 HB2 PHE 5 HB2 PHE 5 6.873 -8.400 -11.144 41 HB3 PHE 5 HB3 PHE 5 7.618 -7.377 -12.367 42 HD1 PHE 5 HD2 PHE 5 7.954 -4.901 -11.767 43 HD2 PHE 5 HD1 PHE 5 7.176 -7.945 -8.895 44 HE1 PHE 5 HE2 PHE 5 8.884 -3.465 -9.998 45 HE2 PHE 5 HE1 PHE 5 8.104 -6.513 -7.122 46 HZ PHE 5 HZ PHE 5 8.960 -4.271 -7.672 47 H MET 6 H MET 6 6.010 -6.938 -14.500 48 HA MET 6 HA MET 6 5.342 -9.557 -15.208 49 HB2 MET 6 HB2 MET 6 3.191 -8.929 -16.498 50 HB3 MET 6 HB3 MET 6 3.075 -9.239 -14.771 51 HG2 MET 6 HG2 MET 6 3.135 -6.820 -14.352 52 HG3 MET 6 HG3 MET 6 3.190 -6.538 -16.091 53 HE1 MET 6 HE1 MET 6 -0.021 -7.918 -13.352 54 HE2 MET 6 HE2 MET 6 0.256 -9.291 -14.424 55 HE3 MET 6 HE3 MET 6 1.596 -8.606 -13.503 56 H THR 7 H THR 7 5.382 -9.911 -17.519 57 HA THR 7 HA THR 7 6.939 -7.848 -18.876 58 HB THR 7 HB THR 7 7.550 -9.548 -20.481 59 HG1 THR 7 HG1 THR 7 6.250 -11.174 -20.813 60 HG21 THR 7 HG21 THR 7 9.043 -10.514 -19.110 61 HG22 THR 7 HG22 THR 7 7.787 -11.257 -18.120 62 HG23 THR 7 HG23 THR 7 8.263 -9.584 -17.831 63 H ARG 8 H ARG 8 6.524 -8.066 -21.443 64 HA ARG 8 HA ARG 8 4.219 -6.657 -22.000 65 HB2 ARG 8 HB2 ARG 8 4.597 -7.355 -24.386 66 HB3 ARG 8 HB3 ARG 8 6.001 -6.659 -23.587 67 HG2 ARG 8 HG2 ARG 8 6.795 -8.992 -23.146 68 HG3 ARG 8 HG3 ARG 8 5.479 -9.560 -24.177 69 HD2 ARG 8 HD2 ARG 8 7.599 -7.602 -25.048 70 HD3 ARG 8 HD3 ARG 8 7.672 -9.339 -25.342 71 HE ARG 8 HE ARG 8 6.054 -7.410 -26.731 72 HH11 ARG 8 HH11 ARG 8 6.411 -10.764 -25.867 73 HH12 ARG 8 HH12 ARG 8 5.469 -11.342 -27.200 74 HH21 ARG 8 HH21 ARG 8 4.812 -8.160 -28.491 75 HH22 ARG 8 HH22 ARG 8 4.560 -9.861 -28.693 76 H THR 9 H THR 9 4.776 -10.150 -22.309 77 HA THR 9 HA THR 9 2.227 -10.787 -23.335 78 HB THR 9 HB THR 9 3.781 -12.708 -21.630 79 HG1 THR 9 HG1 THR 9 5.321 -12.882 -23.131 80 HG21 THR 9 HG21 THR 9 1.858 -13.724 -22.460 81 HG22 THR 9 HG22 THR 9 3.080 -14.177 -23.649 82 HG23 THR 9 HG23 THR 9 1.951 -12.868 -23.999 83 H GLU 10 H GLU 10 3.520 -11.094 -20.023 84 HA GLU 10 HA GLU 10 1.127 -11.926 -18.827 85 HB2 GLU 10 HB2 GLU 10 3.529 -10.487 -17.704 86 HB3 GLU 10 HB3 GLU 10 2.192 -11.034 -16.702 87 HG2 GLU 10 HG2 GLU 10 3.655 -12.927 -18.500 88 HG3 GLU 10 HG3 GLU 10 4.267 -12.523 -16.897 89 H ALA 11 H ALA 11 2.094 -8.860 -19.992 90 HA ALA 11 HA ALA 11 0.789 -7.056 -18.369 91 HB1 ALA 11 HB1 ALA 11 0.697 -6.781 -21.352 92 HB2 ALA 11 HB2 ALA 11 0.907 -5.531 -20.124 93 HB3 ALA 11 HB3 ALA 11 2.220 -6.657 -20.470 94 H LEU 12 H LEU 12 -0.565 -9.376 -20.569 95 HA LEU 12 HA LEU 12 -3.046 -8.346 -21.143 96 HB2 LEU 12 HB2 LEU 12 -2.395 -11.195 -20.403 97 HB3 LEU 12 HB3 LEU 12 -3.844 -10.663 -21.254 98 HG LEU 12 HG LEU 12 -1.180 -10.060 -22.448 99 HD11 LEU 12 HD11 LEU 12 -0.851 -12.177 -23.323 100 HD12 LEU 12 HD12 LEU 12 -2.502 -12.689 -22.978 101 HD13 LEU 12 HD13 LEU 12 -1.339 -12.519 -21.663 102 HD21 LEU 12 HD21 LEU 12 -3.878 -9.798 -23.192 103 HD22 LEU 12 HD22 LEU 12 -3.198 -11.066 -24.212 104 HD23 LEU 12 HD23 LEU 12 -2.448 -9.470 -24.170 105 H GLU 13 H GLU 13 -2.021 -10.017 -18.191 106 HA GLU 13 HA GLU 13 -4.503 -10.141 -16.917 107 HB2 GLU 13 HB2 GLU 13 -1.666 -10.145 -15.986 108 HB3 GLU 13 HB3 GLU 13 -2.940 -9.955 -14.790 109 HG2 GLU 13 HG2 GLU 13 -2.753 -12.229 -16.751 110 HG3 GLU 13 HG3 GLU 13 -2.202 -12.288 -15.078 111 H PHE 14 H PHE 14 -2.146 -7.541 -17.124 112 HA PHE 14 HA PHE 14 -3.376 -5.864 -15.182 113 HB2 PHE 14 HB2 PHE 14 -1.082 -5.455 -15.667 114 HB3 PHE 14 HB3 PHE 14 -1.396 -5.333 -17.395 115 HD1 PHE 14 HD2 PHE 14 -3.176 -3.738 -14.549 116 HD2 PHE 14 HD1 PHE 14 -0.718 -3.198 -17.981 117 HE1 PHE 14 HE2 PHE 14 -3.412 -1.299 -14.329 118 HE2 PHE 14 HE1 PHE 14 -0.948 -0.758 -17.766 119 HZ PHE 14 HZ PHE 14 -2.297 0.194 -15.939 120 H LEU 15 H LEU 15 -3.453 -5.931 -18.734 121 HA LEU 15 HA LEU 15 -5.191 -3.734 -19.045 122 HB2 LEU 15 HB2 LEU 15 -4.955 -6.081 -20.913 123 HB3 LEU 15 HB3 LEU 15 -5.443 -4.435 -21.309 124 HG LEU 15 HG LEU 15 -2.681 -5.080 -20.312 125 HD11 LEU 15 HD11 LEU 15 -2.229 -6.128 -22.213 126 HD12 LEU 15 HD12 LEU 15 -2.578 -4.628 -23.071 127 HD13 LEU 15 HD13 LEU 15 -3.853 -5.821 -22.828 128 HD21 LEU 15 HD21 LEU 15 -2.210 -2.981 -21.645 129 HD22 LEU 15 HD22 LEU 15 -3.158 -2.773 -20.172 130 HD23 LEU 15 HD23 LEU 15 -3.957 -2.764 -21.745 131 H LEU 16 H LEU 16 -5.743 -7.083 -18.305 132 HA LEU 16 HA LEU 16 -8.574 -6.966 -18.885 133 HB2 LEU 16 HB2 LEU 16 -6.922 -9.004 -18.970 134 HB3 LEU 16 HB3 LEU 16 -7.329 -9.134 -17.260 135 HG LEU 16 HG LEU 16 -8.683 -10.646 -18.598 136 HD11 LEU 16 HD11 LEU 16 -10.626 -8.533 -17.838 137 HD12 LEU 16 HD12 LEU 16 -9.564 -9.179 -16.587 138 HD13 LEU 16 HD13 LEU 16 -10.632 -10.260 -17.482 139 HD21 LEU 16 HD21 LEU 16 -10.059 -9.993 -20.357 140 HD22 LEU 16 HD22 LEU 16 -8.580 -9.072 -20.633 141 HD23 LEU 16 HD23 LEU 16 -9.986 -8.288 -19.911 142 H LYS 17 H LYS 17 -6.544 -7.248 -15.979 143 HA LYS 17 HA LYS 17 -8.683 -7.152 -14.133 144 HB2 LYS 17 HB2 LYS 17 -7.040 -6.978 -12.449 145 HB3 LYS 17 HB3 LYS 17 -6.295 -7.942 -13.718 146 HG2 LYS 17 HG2 LYS 17 -5.261 -5.771 -14.543 147 HG3 LYS 17 HG3 LYS 17 -5.772 -5.076 -13.003 148 HD2 LYS 17 HD2 LYS 17 -3.979 -7.480 -13.346 149 HD3 LYS 17 HD3 LYS 17 -3.450 -5.852 -12.915 150 HE2 LYS 17 HE2 LYS 17 -3.590 -6.744 -10.827 151 HE3 LYS 17 HE3 LYS 17 -5.254 -6.186 -10.998 152 HZ1 LYS 17 HZ1 LYS 17 -4.288 -8.825 -10.658 153 HZ2 LYS 17 HZ2 LYS 17 -5.173 -8.720 -12.096 154 HZ3 LYS 17 HZ3 LYS 17 -5.884 -8.263 -10.631 155 H ALA 18 H ALA 18 -6.894 -4.700 -15.828 156 HA ALA 18 HA ALA 18 -7.452 -2.489 -14.191 157 HB1 ALA 18 HB1 ALA 18 -7.258 -1.266 -16.512 158 HB2 ALA 18 HB2 ALA 18 -5.848 -2.002 -15.749 159 HB3 ALA 18 HB3 ALA 18 -6.691 -2.850 -17.045 160 H HIS 19 H HIS 19 -9.306 -4.033 -16.758 161 HA HIS 19 HA HIS 19 -11.305 -2.051 -16.994 162 HB2 HIS 19 HB2 HIS 19 -11.071 -4.928 -17.767 163 HB3 HIS 19 HB3 HIS 19 -12.660 -4.170 -17.814 164 HD1 HIS 19 HD1 HIS 19 -10.202 -4.997 -20.073 165 HD2 HIS 19 HD2 HIS 19 -12.140 -1.412 -19.264 166 HE1 HIS 19 HE1 HIS 19 -9.934 -3.604 -22.150 167 H GLN 20 H GLN 20 -10.898 -4.791 -14.844 168 HA GLN 20 HA GLN 20 -13.453 -5.052 -13.817 169 HB2 GLN 20 HB2 GLN 20 -11.177 -6.308 -13.307 170 HB3 GLN 20 HB3 GLN 20 -11.139 -5.204 -11.939 171 HG2 GLN 20 HG2 GLN 20 -12.157 -7.109 -11.095 172 HG3 GLN 20 HG3 GLN 20 -13.506 -6.028 -11.443 173 HE21 GLN 20 HE21 GLN 20 -14.750 -8.023 -11.397 174 HE22 GLN 20 HE22 GLN 20 -14.845 -8.986 -12.828 175 H THR 21 H THR 21 -10.934 -2.735 -12.962 176 HA THR 21 HA THR 21 -12.519 -1.553 -10.857 177 HB THR 21 HB THR 21 -10.063 -0.291 -12.047 178 HG1 THR 21 HG1 THR 21 -10.252 -2.569 -10.372 179 HG21 THR 21 HG21 THR 21 -11.115 -0.403 -9.218 180 HG22 THR 21 HG22 THR 21 -11.370 0.935 -10.338 181 HG23 THR 21 HG23 THR 21 -9.740 0.538 -9.793 182 H ALA 22 H ALA 22 -11.749 -0.889 -14.212 183 HA ALA 22 HA ALA 22 -12.686 1.767 -14.321 184 HB1 ALA 22 HB1 ALA 22 -13.143 0.656 -16.837 185 HB2 ALA 22 HB2 ALA 22 -11.706 1.529 -16.301 186 HB3 ALA 22 HB3 ALA 22 -11.765 -0.230 -16.184 187 H VAL 23 H VAL 23 -14.287 -1.282 -15.252 188 HA VAL 23 HA VAL 23 -16.749 -0.250 -15.983 189 HB VAL 23 HB VAL 23 -16.276 -2.880 -14.573 190 HG11 VAL 23 HG11 VAL 23 -18.562 -1.764 -16.154 191 HG12 VAL 23 HG12 VAL 23 -18.285 -3.504 -16.066 192 HG13 VAL 23 HG13 VAL 23 -18.582 -2.582 -14.592 193 HG21 VAL 23 HG21 VAL 23 -15.146 -3.526 -16.372 194 HG22 VAL 23 HG22 VAL 23 -16.575 -3.218 -17.359 195 HG23 VAL 23 HG23 VAL 23 -15.379 -1.944 -17.118 196 H ASP 24 H ASP 24 -15.466 -0.914 -12.787 197 HA ASP 24 HA ASP 24 -17.987 -0.453 -11.463 198 HB2 ASP 24 HB2 ASP 24 -15.972 -1.936 -10.691 199 HB3 ASP 24 HB3 ASP 24 -15.345 -0.421 -10.047 200 H LYS 25 H LYS 25 -15.089 1.367 -12.212 201 HA LYS 25 HA LYS 25 -15.458 3.549 -10.501 202 HB2 LYS 25 HB2 LYS 25 -13.430 3.001 -11.942 203 HB3 LYS 25 HB3 LYS 25 -14.304 3.733 -13.282 204 HG2 LYS 25 HG2 LYS 25 -14.249 5.859 -12.303 205 HG3 LYS 25 HG3 LYS 25 -13.816 5.212 -10.719 206 HD2 LYS 25 HD2 LYS 25 -12.010 4.866 -13.090 207 HD3 LYS 25 HD3 LYS 25 -11.977 6.341 -12.121 208 HE2 LYS 25 HE2 LYS 25 -11.735 4.742 -10.111 209 HE3 LYS 25 HE3 LYS 25 -11.293 3.534 -11.317 210 HZ1 LYS 25 HZ1 LYS 25 -9.861 5.919 -11.784 211 HZ2 LYS 25 HZ2 LYS 25 -9.265 4.379 -11.418 212 HZ3 LYS 25 HZ3 LYS 25 -9.655 5.454 -10.170 213 H ILE 26 H ILE 26 -16.714 2.920 -13.747 214 HA ILE 26 HA ILE 26 -17.998 5.464 -13.991 215 HB ILE 26 HB ILE 26 -19.129 4.483 -15.951 216 HG12 ILE 26 HG12 ILE 26 -17.664 1.954 -15.165 217 HG13 ILE 26 HG13 ILE 26 -19.404 2.199 -15.067 218 HG21 ILE 26 HG21 ILE 26 -16.406 4.984 -15.604 219 HG22 ILE 26 HG22 ILE 26 -16.489 3.504 -16.558 220 HG23 ILE 26 HG23 ILE 26 -17.302 4.964 -17.122 221 HD11 ILE 26 HD11 ILE 26 -18.816 0.902 -17.024 222 HD12 ILE 26 HD12 ILE 26 -19.495 2.461 -17.494 223 HD13 ILE 26 HD13 ILE 26 -17.754 2.195 -17.582 224 H GLY 27 H GLY 27 -18.828 2.429 -12.562 225 HA2 GLY 27 HA2 GLY 27 -20.590 2.063 -11.069 226 HA3 GLY 27 HA3 GLY 27 -21.328 3.565 -11.608 227 H HIS 28 H HIS 28 -20.262 1.006 -13.762 228 HA HIS 28 HA HIS 28 -23.013 0.737 -14.712 229 HB2 HIS 28 HB2 HIS 28 -20.318 0.218 -15.873 230 HB3 HIS 28 HB3 HIS 28 -21.665 -0.751 -16.464 231 HD1 HIS 28 HD1 HIS 28 -21.725 0.320 -18.775 232 HD2 HIS 28 HD2 HIS 28 -22.134 3.057 -15.677 233 HE1 HIS 28 HE1 HIS 28 -22.423 2.475 -19.869 234 HA PRO 29 HA PRO 29 -23.709 -3.238 -12.990 235 HB2 PRO 29 HB2 PRO 29 -25.145 -4.447 -14.952 236 HB3 PRO 29 HB3 PRO 29 -25.803 -3.160 -13.934 237 HG2 PRO 29 HG2 PRO 29 -24.689 -2.999 -16.709 238 HG3 PRO 29 HG3 PRO 29 -26.136 -2.225 -16.037 239 HD2 PRO 29 HD2 PRO 29 -23.794 -0.905 -16.359 240 HD3 PRO 29 HD3 PRO 29 -24.924 -0.537 -15.040 241 H SER 30 H SER 30 -23.778 -5.691 -13.837 242 HA SER 30 HA SER 30 -21.320 -6.142 -15.397 243 HB2 SER 30 HB2 SER 30 -21.270 -6.527 -12.800 244 HB3 SER 30 HB3 SER 30 -22.119 -8.020 -13.201 245 HG SER 30 HG SER 30 -20.289 -8.813 -13.830 246 H HIS 31 H HIS 31 -24.270 -6.212 -16.027 247 HA HIS 31 HA HIS 31 -25.262 -8.770 -16.328 248 HB2 HIS 31 HB2 HIS 31 -26.705 -7.899 -18.027 249 HB3 HIS 31 HB3 HIS 31 -26.459 -6.616 -16.846 250 HD1 HIS 31 HD1 HIS 31 -23.849 -5.401 -17.804 251 HD2 HIS 31 HD2 HIS 31 -26.908 -6.552 -20.369 252 HE1 HIS 31 HE1 HIS 31 -23.508 -4.057 -19.903 253 H LYS 32 H LYS 32 -25.533 -9.952 -18.455 254 HA LYS 32 HA LYS 32 -23.099 -10.955 -19.327 255 HB2 LYS 32 HB2 LYS 32 -25.378 -12.017 -19.578 256 HB3 LYS 32 HB3 LYS 32 -25.641 -10.959 -20.957 257 HG2 LYS 32 HG2 LYS 32 -23.915 -11.989 -22.198 258 HG3 LYS 32 HG3 LYS 32 -23.311 -12.847 -20.779 259 HD2 LYS 32 HD2 LYS 32 -25.510 -14.051 -20.687 260 HD3 LYS 32 HD3 LYS 32 -25.905 -13.315 -22.242 261 HE2 LYS 32 HE2 LYS 32 -23.370 -14.870 -21.859 262 HE3 LYS 32 HE3 LYS 32 -24.892 -15.686 -22.216 263 HZ1 LYS 32 HZ1 LYS 32 -24.890 -14.952 -24.325 264 HZ2 LYS 32 HZ2 LYS 32 -23.224 -14.793 -24.085 265 HZ3 LYS 32 HZ3 LYS 32 -24.233 -13.443 -23.935 266 H GLN 33 H GLN 33 -22.008 -10.798 -21.360 267 HA GLN 33 HA GLN 33 -21.478 -8.184 -22.188 268 HB2 GLN 33 HB2 GLN 33 -20.168 -9.182 -23.981 269 HB3 GLN 33 HB3 GLN 33 -19.904 -10.053 -22.477 270 HG2 GLN 33 HG2 GLN 33 -22.058 -11.137 -24.133 271 HG3 GLN 33 HG3 GLN 33 -20.461 -11.198 -24.877 272 HE21 GLN 33 HE21 GLN 33 -18.777 -11.732 -22.917 273 HE22 GLN 33 HE22 GLN 33 -19.155 -13.224 -22.134 274 H THR 34 H THR 34 -21.851 -7.157 -24.234 275 HA THR 34 HA THR 34 -24.438 -7.923 -25.416 276 HB THR 34 HB THR 34 -24.229 -5.407 -26.254 277 HG1 THR 34 HG1 THR 34 -22.402 -4.695 -25.341 278 HG21 THR 34 HG21 THR 34 -25.529 -4.720 -24.255 279 HG22 THR 34 HG22 THR 34 -25.102 -6.251 -23.489 280 HG23 THR 34 HG23 THR 34 -26.087 -6.241 -24.951 281 HA PRO 35 HA PRO 35 -22.651 -8.497 -29.382 282 HB2 PRO 35 HB2 PRO 35 -24.540 -7.444 -31.023 283 HB3 PRO 35 HB3 PRO 35 -24.762 -8.969 -30.157 284 HG2 PRO 35 HG2 PRO 35 -25.768 -6.235 -29.467 285 HG3 PRO 35 HG3 PRO 35 -26.613 -7.791 -29.386 286 HD2 PRO 35 HD2 PRO 35 -25.552 -6.594 -27.201 287 HD3 PRO 35 HD3 PRO 35 -25.638 -8.358 -27.376 288 H ALA 36 H ALA 36 -23.648 -5.262 -28.497 289 HA ALA 36 HA ALA 36 -22.574 -3.840 -30.663 290 HB1 ALA 36 HB1 ALA 36 -23.168 -3.106 -27.819 291 HB2 ALA 36 HB2 ALA 36 -22.423 -1.952 -28.925 292 HB3 ALA 36 HB3 ALA 36 -24.011 -2.625 -29.291 293 H ASP 37 H ASP 37 -21.069 -5.358 -27.942 294 HA ASP 37 HA ASP 37 -18.698 -3.927 -27.721 295 HB2 ASP 37 HB2 ASP 37 -19.449 -5.774 -26.206 296 HB3 ASP 37 HB3 ASP 37 -18.981 -6.926 -27.453 297 H HIS 38 H HIS 38 -19.765 -6.104 -30.195 298 HA HIS 38 HA HIS 38 -17.398 -6.970 -31.320 299 HB2 HIS 38 HB2 HIS 38 -19.938 -7.328 -31.991 300 HB3 HIS 38 HB3 HIS 38 -19.572 -6.051 -33.148 301 HD1 HIS 38 HD1 HIS 38 -18.197 -6.675 -35.179 302 HD2 HIS 38 HD2 HIS 38 -18.458 -9.742 -32.388 303 HE1 HIS 38 HE1 HIS 38 -17.244 -8.704 -36.318 304 H ALA 39 H ALA 39 -18.851 -3.803 -31.414 305 HA ALA 39 HA ALA 39 -17.045 -2.836 -33.465 306 HB1 ALA 39 HB1 ALA 39 -19.346 -1.706 -31.958 307 HB2 ALA 39 HB2 ALA 39 -18.175 -0.591 -32.664 308 HB3 ALA 39 HB3 ALA 39 -19.034 -1.736 -33.694 309 H ALA 40 H ALA 40 -17.371 -2.727 -29.977 310 HA ALA 40 HA ALA 40 -15.541 -0.675 -29.424 311 HB1 ALA 40 HB1 ALA 40 -16.878 -2.794 -27.927 312 HB2 ALA 40 HB2 ALA 40 -15.293 -2.366 -27.284 313 HB3 ALA 40 HB3 ALA 40 -16.532 -1.126 -27.471 314 H ILE 41 H ILE 41 -15.075 -3.972 -30.382 315 HA ILE 41 HA ILE 41 -12.517 -4.486 -29.426 316 HB ILE 41 HB ILE 41 -13.692 -5.361 -32.067 317 HG12 ILE 41 HG12 ILE 41 -13.629 -6.838 -29.430 318 HG13 ILE 41 HG13 ILE 41 -15.019 -5.921 -30.001 319 HG21 ILE 41 HG21 ILE 41 -11.596 -6.085 -32.416 320 HG22 ILE 41 HG22 ILE 41 -11.152 -5.926 -30.718 321 HG23 ILE 41 HG23 ILE 41 -12.027 -7.354 -31.269 322 HD11 ILE 41 HD11 ILE 41 -15.485 -7.429 -31.680 323 HD12 ILE 41 HD12 ILE 41 -13.843 -8.074 -31.699 324 HD13 ILE 41 HD13 ILE 41 -14.932 -8.473 -30.371 325 H GLU 42 H GLU 42 -13.563 -2.370 -31.957 326 HA GLU 42 HA GLU 42 -11.321 -2.168 -33.559 327 HB2 GLU 42 HB2 GLU 42 -12.098 0.011 -34.190 328 HB3 GLU 42 HB3 GLU 42 -13.505 -1.010 -33.928 329 HG2 GLU 42 HG2 GLU 42 -13.479 0.001 -31.542 330 HG3 GLU 42 HG3 GLU 42 -12.478 1.253 -32.275 331 H ALA 43 H ALA 43 -11.896 -0.836 -30.367 332 HA ALA 43 HA ALA 43 -9.472 0.742 -30.393 333 HB1 ALA 43 HB1 ALA 43 -10.733 0.269 -27.797 334 HB2 ALA 43 HB2 ALA 43 -10.324 1.784 -28.603 335 HB3 ALA 43 HB3 ALA 43 -11.819 0.942 -29.013 336 H LEU 44 H LEU 44 -10.461 -2.431 -29.428 337 HA LEU 44 HA LEU 44 -8.426 -2.971 -27.543 338 HB2 LEU 44 HB2 LEU 44 -9.969 -4.837 -29.338 339 HB3 LEU 44 HB3 LEU 44 -8.947 -5.347 -27.996 340 HG LEU 44 HG LEU 44 -11.492 -3.738 -27.802 341 HD11 LEU 44 HD11 LEU 44 -11.424 -6.189 -26.316 342 HD12 LEU 44 HD12 LEU 44 -11.065 -6.501 -28.014 343 HD13 LEU 44 HD13 LEU 44 -12.554 -5.669 -27.567 344 HD21 LEU 44 HD21 LEU 44 -10.299 -2.923 -26.017 345 HD22 LEU 44 HD22 LEU 44 -9.365 -4.407 -25.821 346 HD23 LEU 44 HD23 LEU 44 -11.048 -4.347 -25.294 347 H ASP 45 H ASP 45 -8.469 -2.870 -30.998 348 HA ASP 45 HA ASP 45 -6.243 -4.524 -31.526 349 HB2 ASP 45 HB2 ASP 45 -7.803 -3.860 -33.286 350 HB3 ASP 45 HB3 ASP 45 -7.324 -2.175 -33.097 351 H ARG 46 H ARG 46 -6.527 -1.312 -30.301 352 HA ARG 46 HA ARG 46 -3.929 -0.394 -31.015 353 HB2 ARG 46 HB2 ARG 46 -6.021 0.512 -29.063 354 HB3 ARG 46 HB3 ARG 46 -4.419 1.236 -29.044 355 HG2 ARG 46 HG2 ARG 46 -5.810 2.628 -30.362 356 HG3 ARG 46 HG3 ARG 46 -4.729 1.776 -31.467 357 HD2 ARG 46 HD2 ARG 46 -6.457 0.258 -32.103 358 HD3 ARG 46 HD3 ARG 46 -7.524 0.854 -30.832 359 HE ARG 46 HE ARG 46 -7.110 2.008 -33.421 360 HH11 ARG 46 HH11 ARG 46 -7.988 2.684 -30.121 361 HH12 ARG 46 HH12 ARG 46 -8.896 4.106 -30.517 362 HH21 ARG 46 HH21 ARG 46 -8.301 3.878 -33.955 363 HH22 ARG 46 HH22 ARG 46 -9.074 4.784 -32.698 364 H LEU 47 H LEU 47 -5.246 -1.314 -27.826 365 HA LEU 47 HA LEU 47 -2.827 -1.374 -26.462 366 HB2 LEU 47 HB2 LEU 47 -3.949 -2.469 -24.735 367 HB3 LEU 47 HB3 LEU 47 -5.193 -1.518 -25.542 368 HG LEU 47 HG LEU 47 -5.563 -3.822 -26.826 369 HD11 LEU 47 HD11 LEU 47 -3.771 -4.510 -24.710 370 HD12 LEU 47 HD12 LEU 47 -4.477 -5.543 -25.952 371 HD13 LEU 47 HD13 LEU 47 -5.332 -5.284 -24.432 372 HD21 LEU 47 HD21 LEU 47 -7.400 -2.867 -25.791 373 HD22 LEU 47 HD22 LEU 47 -6.626 -2.843 -24.206 374 HD23 LEU 47 HD23 LEU 47 -7.195 -4.368 -24.887 375 H LEU 48 H LEU 48 -4.371 -3.832 -28.441 376 HA LEU 48 HA LEU 48 -2.615 -5.952 -27.725 377 HB2 LEU 48 HB2 LEU 48 -4.356 -5.561 -30.153 378 HB3 LEU 48 HB3 LEU 48 -3.513 -7.057 -29.755 379 HG LEU 48 HG LEU 48 -5.492 -5.854 -27.850 380 HD11 LEU 48 HD11 LEU 48 -7.292 -6.955 -28.862 381 HD12 LEU 48 HD12 LEU 48 -6.240 -7.879 -29.935 382 HD13 LEU 48 HD13 LEU 48 -6.459 -6.148 -30.191 383 HD21 LEU 48 HD21 LEU 48 -4.296 -7.574 -26.834 384 HD22 LEU 48 HD22 LEU 48 -4.252 -8.545 -28.306 385 HD23 LEU 48 HD23 LEU 48 -5.760 -8.373 -27.407 386 H LEU 49 H LEU 49 -2.731 -3.705 -30.471 387 HA LEU 49 HA LEU 49 -0.532 -4.731 -31.872 388 HB2 LEU 49 HB2 LEU 49 -2.068 -3.196 -32.907 389 HB3 LEU 49 HB3 LEU 49 -1.651 -1.936 -31.747 390 HG LEU 49 HG LEU 49 0.746 -2.211 -32.776 391 HD11 LEU 49 HD11 LEU 49 -0.748 -2.817 -35.267 392 HD12 LEU 49 HD12 LEU 49 -0.329 -4.161 -34.206 393 HD13 LEU 49 HD13 LEU 49 0.940 -3.120 -34.853 394 HD21 LEU 49 HD21 LEU 49 0.175 -0.480 -34.440 395 HD22 LEU 49 HD22 LEU 49 -0.534 -0.164 -32.857 396 HD23 LEU 49 HD23 LEU 49 -1.536 -0.806 -34.160 397 H ASP 50 H ASP 50 -0.740 -2.424 -29.227 398 HA ASP 50 HA ASP 50 1.994 -1.620 -29.333 399 HB2 ASP 50 HB2 ASP 50 -0.194 -1.346 -27.288 400 HB3 ASP 50 HB3 ASP 50 1.457 -0.856 -26.917 401 H VAL 51 H VAL 51 0.231 -3.674 -27.006 402 HA VAL 51 HA VAL 51 2.462 -4.569 -25.591 403 HB VAL 51 HB VAL 51 1.081 -6.357 -24.746 404 HG11 VAL 51 HG11 VAL 51 0.099 -4.796 -23.511 405 HG12 VAL 51 HG12 VAL 51 0.270 -3.615 -24.810 406 HG13 VAL 51 HG13 VAL 51 -1.158 -4.649 -24.739 407 HG21 VAL 51 HG21 VAL 51 -0.750 -5.706 -27.050 408 HG22 VAL 51 HG22 VAL 51 0.125 -7.212 -26.772 409 HG23 VAL 51 HG23 VAL 51 -1.192 -6.746 -25.695 410 H ARG 52 H ARG 52 1.193 -5.549 -28.669 411 HA ARG 52 HA ARG 52 2.734 -8.001 -28.752 412 HB2 ARG 52 HB2 ARG 52 0.468 -7.718 -29.835 413 HB3 ARG 52 HB3 ARG 52 1.246 -6.677 -31.019 414 HG2 ARG 52 HG2 ARG 52 1.097 -8.798 -32.018 415 HG3 ARG 52 HG3 ARG 52 2.782 -8.616 -31.527 416 HD2 ARG 52 HD2 ARG 52 2.094 -10.818 -30.928 417 HD3 ARG 52 HD3 ARG 52 2.222 -9.879 -29.442 418 HE ARG 52 HE ARG 52 -0.426 -9.859 -30.511 419 HH11 ARG 52 HH11 ARG 52 1.838 -11.728 -28.640 420 HH12 ARG 52 HH12 ARG 52 0.611 -12.595 -27.778 421 HH21 ARG 52 HH21 ARG 52 -2.051 -10.993 -29.383 422 HH22 ARG 52 HH22 ARG 52 -1.602 -12.177 -28.202 423 H ALA 53 H ALA 53 2.926 -4.727 -29.988 424 HA ALA 53 HA ALA 53 5.315 -5.357 -31.542 425 HB1 ALA 53 HB1 ALA 53 5.136 -3.157 -32.456 426 HB2 ALA 53 HB2 ALA 53 3.526 -3.877 -32.461 427 HB3 ALA 53 HB3 ALA 53 3.955 -2.686 -31.233 428 H ARG 54 H ARG 54 5.045 -5.235 -28.480 429 HA ARG 54 HA ARG 54 6.257 -4.527 -26.685 430 HB2 ARG 54 HB2 ARG 54 8.312 -4.435 -28.888 431 HB3 ARG 54 HB3 ARG 54 8.721 -4.118 -27.208 432 HG2 ARG 54 HG2 ARG 54 8.219 -6.312 -26.555 433 HG3 ARG 54 HG3 ARG 54 7.348 -6.646 -28.053 434 HD2 ARG 54 HD2 ARG 54 9.374 -6.644 -29.315 435 HD3 ARG 54 HD3 ARG 54 10.295 -6.038 -27.940 436 HE ARG 54 HE ARG 54 9.040 -8.524 -27.349 437 HH11 ARG 54 HH11 ARG 54 11.751 -7.092 -28.998 438 HH12 ARG 54 HH12 ARG 54 12.748 -8.502 -28.858 439 HH21 ARG 54 HH21 ARG 54 10.343 -10.386 -27.158 440 HH22 ARG 54 HH22 ARG 54 11.946 -10.375 -27.811 441 H ARG 55 H ARG 55 4.642 -2.556 -27.391 442 HA ARG 55 HA ARG 55 6.325 -0.143 -27.232 443 HB2 ARG 55 HB2 ARG 55 3.840 -0.655 -28.832 444 HB3 ARG 55 HB3 ARG 55 4.232 0.977 -28.308 445 HG2 ARG 55 HG2 ARG 55 6.539 0.501 -29.386 446 HG3 ARG 55 HG3 ARG 55 5.680 -0.789 -30.229 447 HD2 ARG 55 HD2 ARG 55 4.278 0.704 -31.339 448 HD3 ARG 55 HD3 ARG 55 4.598 2.003 -30.190 449 HE ARG 55 HE ARG 55 6.951 1.238 -31.601 450 HH11 ARG 55 HH11 ARG 55 4.007 3.076 -31.870 451 HH12 ARG 55 HH12 ARG 55 4.645 4.171 -33.052 452 HH21 ARG 55 HH21 ARG 55 7.802 2.673 -33.156 453 HH22 ARG 55 HH22 ARG 55 6.803 3.940 -33.783 454 H VAL 56 H VAL 56 5.089 -1.859 -25.143 455 HA VAL 56 HA VAL 56 3.158 0.020 -23.971 456 HB VAL 56 HB VAL 56 2.495 -2.378 -24.144 457 HG11 VAL 56 HG11 VAL 56 3.715 -4.067 -23.322 458 HG12 VAL 56 HG12 VAL 56 5.045 -2.906 -23.315 459 HG13 VAL 56 HG13 VAL 56 4.111 -3.188 -21.845 460 HG21 VAL 56 HG21 VAL 56 1.680 -0.727 -22.378 461 HG22 VAL 56 HG22 VAL 56 1.430 -2.442 -22.050 462 HG23 VAL 56 HG23 VAL 56 2.747 -1.576 -21.259 463 H ASP 57 H ASP 57 3.392 0.729 -21.815 464 HA ASP 57 HA ASP 57 6.099 0.433 -20.692 465 HB2 ASP 57 HB2 ASP 57 5.682 2.851 -19.833 466 HB3 ASP 57 HB3 ASP 57 6.190 2.615 -21.503 467 H GLN 58 H GLN 58 6.002 1.500 -18.334 468 HA GLN 58 HA GLN 58 3.940 -0.026 -16.939 469 HB2 GLN 58 HB2 GLN 58 5.325 0.265 -14.953 470 HB3 GLN 58 HB3 GLN 58 6.282 -0.371 -16.284 471 HG2 GLN 58 HG2 GLN 58 7.678 1.222 -15.391 472 HG3 GLN 58 HG3 GLN 58 6.900 2.102 -16.706 473 HE21 GLN 58 HE21 GLN 58 6.010 1.286 -13.366 474 HE22 GLN 58 HE22 GLN 58 5.621 2.902 -12.895 475 H PHE 59 H PHE 59 2.592 0.861 -15.364 476 HA PHE 59 HA PHE 59 2.637 3.677 -14.784 477 HB2 PHE 59 HB2 PHE 59 0.731 2.537 -16.767 478 HB3 PHE 59 HB3 PHE 59 0.104 3.725 -15.629 479 HD1 PHE 59 HD1 PHE 59 1.895 5.786 -15.336 480 HD2 PHE 59 HD2 PHE 59 1.303 3.391 -18.805 481 HE1 PHE 59 HE1 PHE 59 2.787 7.601 -16.738 482 HE2 PHE 59 HE2 PHE 59 2.195 5.202 -20.212 483 HZ PHE 59 HZ PHE 59 2.939 7.310 -19.178 484 H GLN 60 H GLN 60 1.202 4.267 -13.099 485 HA GLN 60 HA GLN 60 0.287 1.967 -11.529 486 HB2 GLN 60 HB2 GLN 60 0.421 3.373 -9.599 487 HB3 GLN 60 HB3 GLN 60 1.901 3.599 -10.522 488 HG2 GLN 60 HG2 GLN 60 1.398 5.759 -10.010 489 HG3 GLN 60 HG3 GLN 60 0.578 5.604 -11.563 490 HE21 GLN 60 HE21 GLN 60 -0.177 4.750 -8.199 491 HE22 GLN 60 HE22 GLN 60 -1.732 5.502 -8.179 492 H ILE 61 H ILE 61 -1.794 1.761 -10.808 493 HA ILE 61 HA ILE 61 -3.792 3.291 -12.248 494 HB ILE 61 HB ILE 61 -4.130 0.991 -10.319 495 HG12 ILE 61 HG12 ILE 61 -2.894 0.404 -12.381 496 HG13 ILE 61 HG13 ILE 61 -4.468 -0.380 -12.305 497 HG21 ILE 61 HG21 ILE 61 -6.383 0.867 -11.583 498 HG22 ILE 61 HG22 ILE 61 -6.187 2.061 -10.301 499 HG23 ILE 61 HG23 ILE 61 -6.060 2.553 -11.990 500 HD11 ILE 61 HD11 ILE 61 -4.973 0.455 -14.284 501 HD12 ILE 61 HD12 ILE 61 -4.782 2.091 -13.655 502 HD13 ILE 61 HD13 ILE 61 -3.400 1.248 -14.353 503 H ASN 62 H ASN 62 -3.201 2.452 -8.830 504 HA ASN 62 HA ASN 62 -3.708 5.073 -7.898 505 HB2 ASN 62 HB2 ASN 62 -6.046 4.018 -8.561 506 HB3 ASN 62 HB3 ASN 62 -5.883 3.238 -6.990 507 HD21 ASN 62 HD21 ASN 62 -6.399 6.198 -8.679 508 HD22 ASN 62 HD22 ASN 62 -6.771 7.169 -7.299 509 H ALA 63 H ALA 63 -4.198 4.935 -5.384 510 HA ALA 63 HA ALA 63 -2.177 3.115 -4.321 511 HB1 ALA 63 HB1 ALA 63 -1.702 4.705 -2.821 512 HB2 ALA 63 HB2 ALA 63 -2.662 5.765 -3.853 513 HB3 ALA 63 HB3 ALA 63 -3.402 4.995 -2.450 514 H SER 64 H SER 64 -5.598 3.647 -4.286 515 HA SER 64 HA SER 64 -5.945 1.712 -2.106 516 HB2 SER 64 HB2 SER 64 -8.228 2.505 -1.943 517 HB3 SER 64 HB3 SER 64 -7.147 3.898 -1.958 518 HG SER 64 HG SER 64 -8.810 4.307 -3.378 519 H ALA 65 H ALA 65 -5.068 0.840 -4.685 520 HA ALA 65 HA ALA 65 -6.981 -1.238 -5.133 521 HB1 ALA 65 HB1 ALA 65 -6.522 0.198 -7.663 522 HB2 ALA 65 HB2 ALA 65 -7.958 -0.641 -7.074 523 HB3 ALA 65 HB3 ALA 65 -7.599 0.993 -6.514 524 H ALA 66 H ALA 66 -6.234 -2.792 -6.781 525 HA ALA 66 HA ALA 66 -3.597 -3.532 -6.451 526 HB1 ALA 66 HB1 ALA 66 -5.301 -5.068 -7.247 527 HB2 ALA 66 HB2 ALA 66 -5.410 -4.186 -8.770 528 HB3 ALA 66 HB3 ALA 66 -3.928 -5.046 -8.354 529 H GLN 67 H GLN 67 -1.705 -2.936 -7.306 530 HA GLN 67 HA GLN 67 -1.754 -1.029 -9.547 531 HB2 GLN 67 HB2 GLN 67 -0.812 -0.311 -7.289 532 HB3 GLN 67 HB3 GLN 67 0.517 -1.419 -7.604 533 HG2 GLN 67 HG2 GLN 67 1.101 -0.183 -9.610 534 HG3 GLN 67 HG3 GLN 67 -0.260 0.907 -9.349 535 HE21 GLN 67 HE21 GLN 67 2.374 1.774 -9.597 536 HE22 GLN 67 HE22 GLN 67 2.879 2.450 -8.090 537 H ILE 68 H ILE 68 0.038 -1.131 -11.075 538 HA ILE 68 HA ILE 68 1.384 -3.724 -11.248 539 HB ILE 68 HB ILE 68 -0.234 -2.542 -13.508 540 HG12 ILE 68 HG12 ILE 68 -1.274 -4.959 -13.237 541 HG13 ILE 68 HG13 ILE 68 -0.676 -4.791 -11.590 542 HG21 ILE 68 HG21 ILE 68 1.832 -3.552 -14.306 543 HG22 ILE 68 HG22 ILE 68 1.464 -5.032 -13.421 544 HG23 ILE 68 HG23 ILE 68 0.440 -4.531 -14.767 545 HD11 ILE 68 HD11 ILE 68 -3.099 -3.913 -12.549 546 HD12 ILE 68 HD12 ILE 68 -2.338 -3.430 -11.033 547 HD13 ILE 68 HD13 ILE 68 -2.125 -2.444 -12.479 548 H ILE 69 H ILE 69 3.344 -3.686 -12.304 549 HA ILE 69 HA ILE 69 4.196 -1.189 -13.568 550 HB ILE 69 HB ILE 69 5.743 -2.528 -11.346 551 HG12 ILE 69 HG12 ILE 69 5.452 -0.049 -10.461 552 HG13 ILE 69 HG13 ILE 69 4.036 -0.081 -11.505 553 HG21 ILE 69 HG21 ILE 69 6.547 -0.760 -13.498 554 HG22 ILE 69 HG22 ILE 69 6.910 -0.085 -11.910 555 HG23 ILE 69 HG23 ILE 69 7.535 -1.672 -12.356 556 HD11 ILE 69 HD11 ILE 69 3.939 -2.455 -10.043 557 HD12 ILE 69 HD12 ILE 69 4.402 -1.200 -8.894 558 HD13 ILE 69 HD13 ILE 69 2.927 -1.025 -9.845 559 H VAL 70 H VAL 70 4.754 -1.840 -15.541 560 HA VAL 70 HA VAL 70 5.517 -4.425 -16.278 561 HB VAL 70 HB VAL 70 6.144 -1.830 -17.693 562 HG11 VAL 70 HG11 VAL 70 6.140 -4.673 -18.700 563 HG12 VAL 70 HG12 VAL 70 6.308 -3.237 -19.712 564 HG13 VAL 70 HG13 VAL 70 7.545 -3.625 -18.515 565 HG21 VAL 70 HG21 VAL 70 3.867 -3.743 -18.180 566 HG22 VAL 70 HG22 VAL 70 3.728 -2.272 -17.217 567 HG23 VAL 70 HG23 VAL 70 4.127 -2.169 -18.931 568 H THR 71 H THR 71 7.452 -5.441 -16.539 569 HA THR 71 HA THR 71 9.779 -4.115 -15.336 570 HB THR 71 HB THR 71 10.670 -6.584 -15.444 571 HG1 THR 71 HG1 THR 71 8.823 -8.032 -15.148 572 HG21 THR 71 HG21 THR 71 8.547 -5.673 -13.497 573 HG22 THR 71 HG22 THR 71 10.283 -5.389 -13.370 574 HG23 THR 71 HG23 THR 71 9.645 -7.028 -13.235 575 H ASP 72 H ASP 72 10.070 -2.929 -17.387 576 HA ASP 72 HA ASP 72 10.583 -4.062 -19.856 577 HB2 ASP 72 HB2 ASP 72 11.693 -1.593 -18.529 578 HB3 ASP 72 HB3 ASP 72 12.115 -2.032 -20.182 Start of MODEL 13 1 H1 MET 1 H MET 1 -1.866 -0.632 -3.494 2 HA MET 1 HA MET 1 0.621 0.900 -3.887 3 HB2 MET 1 HB2 MET 1 1.159 0.454 -1.541 4 HB3 MET 1 HB3 MET 1 -0.370 1.310 -1.685 5 HG2 MET 1 HG2 MET 1 -1.048 -0.238 -0.209 6 HG3 MET 1 HG3 MET 1 -1.278 -1.205 -1.664 7 HE1 MET 1 HE1 MET 1 1.618 -1.669 1.730 8 HE2 MET 1 HE2 MET 1 0.346 -0.479 1.456 9 HE3 MET 1 HE3 MET 1 -0.076 -2.144 1.858 10 H ASP 2 H ASP 2 -0.847 -2.244 -3.507 11 HA ASP 2 HA ASP 2 1.496 -3.782 -3.240 12 HB2 ASP 2 HB2 ASP 2 -1.107 -4.614 -4.538 13 HB3 ASP 2 HB3 ASP 2 0.123 -5.683 -3.868 14 H ARG 3 H ARG 3 3.090 -3.196 -4.669 15 HA ARG 3 HA ARG 3 2.704 -2.779 -7.433 16 HB2 ARG 3 HB2 ARG 3 5.176 -2.996 -7.582 17 HB3 ARG 3 HB3 ARG 3 4.651 -1.879 -6.330 18 HG2 ARG 3 HG2 ARG 3 4.852 -4.023 -4.811 19 HG3 ARG 3 HG3 ARG 3 5.966 -4.528 -6.083 20 HD2 ARG 3 HD2 ARG 3 7.362 -2.647 -5.733 21 HD3 ARG 3 HD3 ARG 3 6.156 -1.854 -4.719 22 HE ARG 3 HE ARG 3 6.893 -4.316 -3.565 23 HH11 ARG 3 HH11 ARG 3 8.144 -1.121 -4.157 24 HH12 ARG 3 HH12 ARG 3 9.202 -1.140 -2.786 25 HH21 ARG 3 HH21 ARG 3 8.282 -4.353 -1.757 26 HH22 ARG 3 HH22 ARG 3 9.281 -2.979 -1.422 27 H ILE 4 H ILE 4 3.102 -4.102 -9.204 28 HA ILE 4 HA ILE 4 3.496 -6.962 -8.658 29 HB ILE 4 HB ILE 4 1.422 -5.831 -10.540 30 HG12 ILE 4 HG12 ILE 4 0.919 -7.579 -8.142 31 HG13 ILE 4 HG13 ILE 4 0.995 -5.827 -7.995 32 HG21 ILE 4 HG21 ILE 4 2.131 -8.693 -9.909 33 HG22 ILE 4 HG22 ILE 4 0.792 -8.164 -10.926 34 HG23 ILE 4 HG23 ILE 4 2.455 -7.852 -11.425 35 HD11 ILE 4 HD11 ILE 4 -0.735 -6.310 -10.124 36 HD12 ILE 4 HD12 ILE 4 -1.160 -7.495 -8.889 37 HD13 ILE 4 HD13 ILE 4 -1.155 -5.775 -8.498 38 H PHE 5 H PHE 5 5.394 -7.393 -9.583 39 HA PHE 5 HA PHE 5 6.268 -6.014 -11.964 40 HB2 PHE 5 HB2 PHE 5 7.498 -8.115 -10.193 41 HB3 PHE 5 HB3 PHE 5 8.249 -7.638 -11.712 42 HD1 PHE 5 HD1 PHE 5 7.137 -6.380 -8.417 43 HD2 PHE 5 HD2 PHE 5 9.527 -5.677 -11.868 44 HE1 PHE 5 HE1 PHE 5 8.212 -4.481 -7.281 45 HE2 PHE 5 HE2 PHE 5 10.607 -3.778 -10.737 46 HZ PHE 5 HZ PHE 5 9.951 -3.178 -8.441 47 H MET 6 H MET 6 6.195 -6.733 -14.008 48 HA MET 6 HA MET 6 5.843 -9.544 -14.599 49 HB2 MET 6 HB2 MET 6 3.661 -7.541 -14.895 50 HB3 MET 6 HB3 MET 6 3.849 -8.734 -16.173 51 HG2 MET 6 HG2 MET 6 3.653 -10.527 -14.517 52 HG3 MET 6 HG3 MET 6 3.435 -9.320 -13.251 53 HE1 MET 6 HE1 MET 6 1.940 -7.389 -13.654 54 HE2 MET 6 HE2 MET 6 0.813 -7.271 -15.006 55 HE3 MET 6 HE3 MET 6 0.256 -7.870 -13.442 56 H THR 7 H THR 7 6.337 -10.079 -16.743 57 HA THR 7 HA THR 7 8.048 -8.178 -18.070 58 HB THR 7 HB THR 7 8.444 -10.016 -19.700 59 HG1 THR 7 HG1 THR 7 7.037 -11.583 -19.770 60 HG21 THR 7 HG21 THR 7 9.710 -11.400 -18.221 61 HG22 THR 7 HG22 THR 7 8.672 -10.990 -16.854 62 HG23 THR 7 HG23 THR 7 9.733 -9.768 -17.554 63 H ARG 8 H ARG 8 7.837 -8.397 -20.659 64 HA ARG 8 HA ARG 8 5.648 -6.815 -21.378 65 HB2 ARG 8 HB2 ARG 8 7.411 -8.532 -23.136 66 HB3 ARG 8 HB3 ARG 8 6.328 -7.273 -23.714 67 HG2 ARG 8 HG2 ARG 8 7.624 -5.566 -22.777 68 HG3 ARG 8 HG3 ARG 8 8.505 -6.690 -21.739 69 HD2 ARG 8 HD2 ARG 8 9.610 -7.655 -23.660 70 HD3 ARG 8 HD3 ARG 8 8.660 -6.645 -24.749 71 HE ARG 8 HE ARG 8 9.957 -4.897 -23.073 72 HH11 ARG 8 HH11 ARG 8 10.890 -7.396 -25.311 73 HH12 ARG 8 HH12 ARG 8 12.398 -6.647 -25.721 74 HH21 ARG 8 HH21 ARG 8 11.940 -3.902 -23.604 75 HH22 ARG 8 HH22 ARG 8 12.995 -4.661 -24.748 76 H THR 9 H THR 9 6.146 -10.299 -21.576 77 HA THR 9 HA THR 9 3.715 -10.804 -23.004 78 HB THR 9 HB THR 9 4.164 -13.214 -22.236 79 HG1 THR 9 HG1 THR 9 6.311 -13.538 -21.467 80 HG21 THR 9 HG21 THR 9 6.483 -12.037 -23.730 81 HG22 THR 9 HG22 THR 9 4.865 -12.041 -24.432 82 HG23 THR 9 HG23 THR 9 5.644 -13.563 -24.003 83 H GLU 10 H GLU 10 4.608 -10.468 -19.671 84 HA GLU 10 HA GLU 10 2.176 -11.709 -18.692 85 HB2 GLU 10 HB2 GLU 10 4.438 -10.287 -17.284 86 HB3 GLU 10 HB3 GLU 10 3.046 -10.969 -16.454 87 HG2 GLU 10 HG2 GLU 10 4.789 -12.633 -18.234 88 HG3 GLU 10 HG3 GLU 10 5.184 -12.353 -16.540 89 H ALA 11 H ALA 11 3.244 -8.611 -19.663 90 HA ALA 11 HA ALA 11 1.835 -6.846 -18.095 91 HB1 ALA 11 HB1 ALA 11 3.396 -6.425 -20.113 92 HB2 ALA 11 HB2 ALA 11 1.910 -6.474 -21.064 93 HB3 ALA 11 HB3 ALA 11 2.097 -5.278 -19.782 94 H LEU 12 H LEU 12 0.620 -9.082 -20.466 95 HA LEU 12 HA LEU 12 -1.826 -8.016 -21.136 96 HB2 LEU 12 HB2 LEU 12 -0.868 -10.814 -20.722 97 HB3 LEU 12 HB3 LEU 12 -2.572 -10.518 -21.059 98 HG LEU 12 HG LEU 12 -1.464 -9.134 -23.079 99 HD11 LEU 12 HD11 LEU 12 0.329 -11.514 -22.989 100 HD12 LEU 12 HD12 LEU 12 0.798 -10.040 -22.143 101 HD13 LEU 12 HD13 LEU 12 0.505 -10.004 -23.882 102 HD21 LEU 12 HD21 LEU 12 -3.200 -10.843 -23.258 103 HD22 LEU 12 HD22 LEU 12 -1.984 -12.106 -23.057 104 HD23 LEU 12 HD23 LEU 12 -1.951 -11.068 -24.484 105 H GLU 13 H GLU 13 -0.952 -9.805 -18.210 106 HA GLU 13 HA GLU 13 -3.530 -9.970 -17.103 107 HB2 GLU 13 HB2 GLU 13 -1.145 -10.990 -16.408 108 HB3 GLU 13 HB3 GLU 13 -1.224 -9.660 -15.261 109 HG2 GLU 13 HG2 GLU 13 -3.625 -10.622 -14.807 110 HG3 GLU 13 HG3 GLU 13 -2.914 -12.095 -15.463 111 H PHE 14 H PHE 14 -1.092 -7.447 -17.024 112 HA PHE 14 HA PHE 14 -2.326 -5.869 -15.009 113 HB2 PHE 14 HB2 PHE 14 -0.008 -5.500 -15.436 114 HB3 PHE 14 HB3 PHE 14 -0.299 -5.226 -17.150 115 HD1 PHE 14 HD2 PHE 14 -2.059 -3.827 -14.190 116 HD2 PHE 14 HD1 PHE 14 0.433 -3.069 -17.556 117 HE1 PHE 14 HE2 PHE 14 -2.232 -1.409 -13.769 118 HE2 PHE 14 HE1 PHE 14 0.265 -0.650 -17.140 119 HZ PHE 14 HZ PHE 14 -1.070 0.183 -15.245 120 H LEU 15 H LEU 15 -2.199 -5.499 -18.554 121 HA LEU 15 HA LEU 15 -4.002 -3.335 -18.664 122 HB2 LEU 15 HB2 LEU 15 -4.214 -3.952 -21.073 123 HB3 LEU 15 HB3 LEU 15 -2.562 -3.712 -20.509 124 HG LEU 15 HG LEU 15 -2.706 -6.361 -20.223 125 HD11 LEU 15 HD11 LEU 15 -4.314 -6.031 -22.715 126 HD12 LEU 15 HD12 LEU 15 -5.131 -6.128 -21.156 127 HD13 LEU 15 HD13 LEU 15 -4.098 -7.452 -21.693 128 HD21 LEU 15 HD21 LEU 15 -1.060 -6.191 -21.699 129 HD22 LEU 15 HD22 LEU 15 -1.569 -4.538 -22.047 130 HD23 LEU 15 HD23 LEU 15 -2.212 -5.879 -22.997 131 H LEU 16 H LEU 16 -4.469 -6.755 -18.409 132 HA LEU 16 HA LEU 16 -7.220 -6.710 -19.265 133 HB2 LEU 16 HB2 LEU 16 -5.401 -8.774 -18.088 134 HB3 LEU 16 HB3 LEU 16 -7.137 -9.064 -18.179 135 HG LEU 16 HG LEU 16 -5.510 -8.364 -20.608 136 HD11 LEU 16 HD11 LEU 16 -5.727 -10.928 -20.986 137 HD12 LEU 16 HD12 LEU 16 -5.834 -10.991 -19.227 138 HD13 LEU 16 HD13 LEU 16 -4.409 -10.294 -19.999 139 HD21 LEU 16 HD21 LEU 16 -7.510 -8.383 -21.567 140 HD22 LEU 16 HD22 LEU 16 -8.277 -8.867 -20.054 141 HD23 LEU 16 HD23 LEU 16 -7.653 -10.093 -21.158 142 H LYS 17 H LYS 17 -5.495 -6.961 -16.178 143 HA LYS 17 HA LYS 17 -7.872 -7.109 -14.603 144 HB2 LYS 17 HB2 LYS 17 -6.448 -7.030 -12.713 145 HB3 LYS 17 HB3 LYS 17 -5.566 -7.934 -13.937 146 HG2 LYS 17 HG2 LYS 17 -4.247 -5.962 -14.468 147 HG3 LYS 17 HG3 LYS 17 -5.152 -5.024 -13.278 148 HD2 LYS 17 HD2 LYS 17 -3.609 -7.512 -12.574 149 HD3 LYS 17 HD3 LYS 17 -2.899 -5.896 -12.528 150 HE2 LYS 17 HE2 LYS 17 -4.117 -5.265 -10.706 151 HE3 LYS 17 HE3 LYS 17 -5.478 -6.306 -11.120 152 HZ1 LYS 17 HZ1 LYS 17 -3.583 -6.801 -9.216 153 HZ2 LYS 17 HZ2 LYS 17 -3.132 -7.808 -10.499 154 HZ3 LYS 17 HZ3 LYS 17 -4.686 -7.921 -9.841 155 H ALA 18 H ALA 18 -5.962 -4.535 -15.922 156 HA ALA 18 HA ALA 18 -6.614 -2.431 -14.221 157 HB1 ALA 18 HB1 ALA 18 -5.112 -1.620 -15.670 158 HB2 ALA 18 HB2 ALA 18 -5.625 -2.708 -16.960 159 HB3 ALA 18 HB3 ALA 18 -6.515 -1.216 -16.660 160 H HIS 19 H HIS 19 -8.506 -4.022 -16.678 161 HA HIS 19 HA HIS 19 -10.482 -2.050 -17.050 162 HB2 HIS 19 HB2 HIS 19 -10.026 -4.223 -18.393 163 HB3 HIS 19 HB3 HIS 19 -11.070 -4.994 -17.202 164 HD1 HIS 19 HD1 HIS 19 -13.530 -4.826 -17.592 165 HD2 HIS 19 HD2 HIS 19 -11.377 -2.120 -19.895 166 HE1 HIS 19 HE1 HIS 19 -15.209 -3.780 -19.144 167 H GLN 20 H GLN 20 -10.242 -4.754 -14.777 168 HA GLN 20 HA GLN 20 -12.762 -4.622 -13.632 169 HB2 GLN 20 HB2 GLN 20 -10.667 -6.203 -13.217 170 HB3 GLN 20 HB3 GLN 20 -10.424 -5.121 -11.853 171 HG2 GLN 20 HG2 GLN 20 -12.304 -5.826 -10.773 172 HG3 GLN 20 HG3 GLN 20 -13.128 -6.273 -12.266 173 HE21 GLN 20 HE21 GLN 20 -12.162 -7.584 -9.577 174 HE22 GLN 20 HE22 GLN 20 -11.608 -9.131 -10.111 175 H THR 21 H THR 21 -10.022 -2.521 -13.228 176 HA THR 21 HA THR 21 -10.985 -1.243 -10.847 177 HB THR 21 HB THR 21 -8.934 -0.177 -12.792 178 HG1 THR 21 HG1 THR 21 -7.546 -1.182 -10.991 179 HG21 THR 21 HG21 THR 21 -9.844 0.559 -10.065 180 HG22 THR 21 HG22 THR 21 -9.253 1.580 -11.376 181 HG23 THR 21 HG23 THR 21 -8.115 0.658 -10.394 182 H ALA 22 H ALA 22 -10.912 -0.409 -14.297 183 HA ALA 22 HA ALA 22 -12.095 2.132 -14.057 184 HB1 ALA 22 HB1 ALA 22 -11.076 1.796 -16.098 185 HB2 ALA 22 HB2 ALA 22 -11.769 0.186 -16.299 186 HB3 ALA 22 HB3 ALA 22 -12.780 1.614 -16.516 187 H VAL 23 H VAL 23 -13.563 -0.990 -14.968 188 HA VAL 23 HA VAL 23 -16.191 -0.157 -15.208 189 HB VAL 23 HB VAL 23 -15.213 -2.814 -14.153 190 HG11 VAL 23 HG11 VAL 23 -17.484 -2.759 -13.630 191 HG12 VAL 23 HG12 VAL 23 -17.897 -1.864 -15.094 192 HG13 VAL 23 HG13 VAL 23 -17.439 -3.564 -15.198 193 HG21 VAL 23 HG21 VAL 23 -15.590 -3.533 -16.527 194 HG22 VAL 23 HG22 VAL 23 -15.774 -1.829 -16.945 195 HG23 VAL 23 HG23 VAL 23 -14.244 -2.416 -16.295 196 H ASP 24 H ASP 24 -14.483 -1.278 -12.305 197 HA ASP 24 HA ASP 24 -16.640 -1.211 -10.532 198 HB2 ASP 24 HB2 ASP 24 -14.516 -2.262 -9.954 199 HB3 ASP 24 HB3 ASP 24 -13.709 -0.697 -9.989 200 H LYS 25 H LYS 25 -14.731 1.347 -11.882 201 HA LYS 25 HA LYS 25 -15.368 3.340 -9.951 202 HB2 LYS 25 HB2 LYS 25 -13.520 3.234 -11.859 203 HB3 LYS 25 HB3 LYS 25 -14.760 4.082 -12.774 204 HG2 LYS 25 HG2 LYS 25 -14.820 5.845 -11.112 205 HG3 LYS 25 HG3 LYS 25 -13.637 4.981 -10.128 206 HD2 LYS 25 HD2 LYS 25 -12.193 5.081 -12.307 207 HD3 LYS 25 HD3 LYS 25 -13.268 6.418 -12.722 208 HE2 LYS 25 HE2 LYS 25 -11.536 6.181 -10.265 209 HE3 LYS 25 HE3 LYS 25 -11.294 7.275 -11.626 210 HZ1 LYS 25 HZ1 LYS 25 -13.134 7.478 -9.392 211 HZ2 LYS 25 HZ2 LYS 25 -13.764 7.932 -10.894 212 HZ3 LYS 25 HZ3 LYS 25 -12.382 8.698 -10.291 213 H ILE 26 H ILE 26 -16.768 2.376 -13.050 214 HA ILE 26 HA ILE 26 -18.698 4.470 -13.129 215 HB ILE 26 HB ILE 26 -18.879 1.810 -14.540 216 HG12 ILE 26 HG12 ILE 26 -16.685 2.828 -14.966 217 HG13 ILE 26 HG13 ILE 26 -17.694 2.876 -16.408 218 HG21 ILE 26 HG21 ILE 26 -20.726 2.641 -15.442 219 HG22 ILE 26 HG22 ILE 26 -20.545 4.102 -14.473 220 HG23 ILE 26 HG23 ILE 26 -19.810 4.009 -16.074 221 HD11 ILE 26 HD11 ILE 26 -16.408 5.015 -15.042 222 HD12 ILE 26 HD12 ILE 26 -17.320 5.045 -16.551 223 HD13 ILE 26 HD13 ILE 26 -18.151 5.276 -15.013 224 H GLY 27 H GLY 27 -18.533 1.400 -11.555 225 HA2 GLY 27 HA2 GLY 27 -19.950 0.426 -10.026 226 HA3 GLY 27 HA3 GLY 27 -20.892 1.910 -10.051 227 H HIS 28 H HIS 28 -20.388 0.453 -13.099 228 HA HIS 28 HA HIS 28 -22.996 -0.898 -12.969 229 HB2 HIS 28 HB2 HIS 28 -22.189 1.367 -14.675 230 HB3 HIS 28 HB3 HIS 28 -22.981 0.045 -15.528 231 HD1 HIS 28 HD1 HIS 28 -23.763 1.545 -12.118 232 HD2 HIS 28 HD2 HIS 28 -25.540 0.873 -15.813 233 HE1 HIS 28 HE1 HIS 28 -26.151 2.289 -11.861 234 HA PRO 29 HA PRO 29 -21.084 -4.248 -15.059 235 HB2 PRO 29 HB2 PRO 29 -23.122 -5.175 -16.596 236 HB3 PRO 29 HB3 PRO 29 -23.074 -5.377 -14.840 237 HG2 PRO 29 HG2 PRO 29 -24.554 -3.352 -16.474 238 HG3 PRO 29 HG3 PRO 29 -25.109 -4.275 -15.066 239 HD2 PRO 29 HD2 PRO 29 -24.290 -1.700 -14.889 240 HD3 PRO 29 HD3 PRO 29 -24.060 -2.868 -13.572 241 H SER 30 H SER 30 -20.060 -4.818 -16.960 242 HA SER 30 HA SER 30 -20.466 -3.001 -19.245 243 HB2 SER 30 HB2 SER 30 -17.924 -4.080 -18.041 244 HB3 SER 30 HB3 SER 30 -17.978 -3.508 -19.709 245 HG SER 30 HG SER 30 -17.737 -2.072 -17.493 246 H HIS 31 H HIS 31 -21.360 -5.858 -18.441 247 HA HIS 31 HA HIS 31 -20.589 -7.118 -20.991 248 HB2 HIS 31 HB2 HIS 31 -19.548 -8.354 -19.197 249 HB3 HIS 31 HB3 HIS 31 -21.068 -8.433 -18.311 250 HD1 HIS 31 HD1 HIS 31 -22.759 -10.219 -19.019 251 HD2 HIS 31 HD2 HIS 31 -19.337 -10.137 -21.375 252 HE1 HIS 31 HE1 HIS 31 -22.842 -12.320 -20.398 253 H LYS 32 H LYS 32 -22.278 -7.028 -22.314 254 HA LYS 32 HA LYS 32 -24.865 -7.987 -21.363 255 HB2 LYS 32 HB2 LYS 32 -24.311 -5.247 -22.414 256 HB3 LYS 32 HB3 LYS 32 -25.838 -6.014 -22.830 257 HG2 LYS 32 HG2 LYS 32 -26.366 -6.278 -20.470 258 HG3 LYS 32 HG3 LYS 32 -24.819 -5.547 -20.034 259 HD2 LYS 32 HD2 LYS 32 -26.982 -4.179 -21.633 260 HD3 LYS 32 HD3 LYS 32 -26.723 -3.965 -19.900 261 HE2 LYS 32 HE2 LYS 32 -24.303 -3.346 -20.593 262 HE3 LYS 32 HE3 LYS 32 -25.000 -3.107 -22.195 263 HZ1 LYS 32 HZ1 LYS 32 -26.381 -1.406 -21.409 264 HZ2 LYS 32 HZ2 LYS 32 -24.878 -1.096 -20.697 265 HZ3 LYS 32 HZ3 LYS 32 -26.116 -1.802 -19.785 266 H GLN 33 H GLN 33 -25.685 -9.406 -22.753 267 HA GLN 33 HA GLN 33 -24.395 -10.070 -25.167 268 HB2 GLN 33 HB2 GLN 33 -26.883 -10.911 -23.778 269 HB3 GLN 33 HB3 GLN 33 -26.763 -11.275 -25.494 270 HG2 GLN 33 HG2 GLN 33 -25.878 -13.176 -24.613 271 HG3 GLN 33 HG3 GLN 33 -24.414 -12.214 -24.807 272 HE21 GLN 33 HE21 GLN 33 -24.007 -14.085 -23.134 273 HE22 GLN 33 HE22 GLN 33 -24.122 -13.591 -21.483 274 H THR 34 H THR 34 -24.329 -8.726 -26.850 275 HA THR 34 HA THR 34 -26.813 -7.918 -28.099 276 HB THR 34 HB THR 34 -25.661 -5.522 -28.345 277 HG1 THR 34 HG1 THR 34 -24.109 -5.289 -26.935 278 HG21 THR 34 HG21 THR 34 -27.327 -4.712 -26.975 279 HG22 THR 34 HG22 THR 34 -27.113 -5.991 -25.779 280 HG23 THR 34 HG23 THR 34 -27.931 -6.336 -27.303 281 HA PRO 35 HA PRO 35 -24.530 -8.436 -31.812 282 HB2 PRO 35 HB2 PRO 35 -25.644 -6.569 -33.437 283 HB3 PRO 35 HB3 PRO 35 -26.486 -8.045 -32.952 284 HG2 PRO 35 HG2 PRO 35 -26.731 -5.275 -31.845 285 HG3 PRO 35 HG3 PRO 35 -28.008 -6.450 -32.213 286 HD2 PRO 35 HD2 PRO 35 -27.091 -6.032 -29.699 287 HD3 PRO 35 HD3 PRO 35 -27.672 -7.616 -30.253 288 H ALA 36 H ALA 36 -24.467 -5.411 -30.173 289 HA ALA 36 HA ALA 36 -22.663 -4.038 -31.893 290 HB1 ALA 36 HB1 ALA 36 -22.430 -3.163 -29.173 291 HB2 ALA 36 HB2 ALA 36 -23.150 -2.336 -30.555 292 HB3 ALA 36 HB3 ALA 36 -24.125 -3.432 -29.576 293 H ASP 37 H ASP 37 -22.288 -6.425 -29.417 294 HA ASP 37 HA ASP 37 -19.711 -5.998 -28.523 295 HB2 ASP 37 HB2 ASP 37 -20.900 -7.727 -27.467 296 HB3 ASP 37 HB3 ASP 37 -21.286 -8.516 -28.994 297 H HIS 38 H HIS 38 -20.791 -7.532 -31.512 298 HA HIS 38 HA HIS 38 -18.374 -8.566 -32.410 299 HB2 HIS 38 HB2 HIS 38 -20.462 -9.066 -33.538 300 HB3 HIS 38 HB3 HIS 38 -20.656 -7.378 -34.001 301 HD1 HIS 38 HD1 HIS 38 -20.190 -7.108 -36.402 302 HD2 HIS 38 HD2 HIS 38 -17.699 -9.946 -34.668 303 HE1 HIS 38 HE1 HIS 38 -18.683 -7.902 -38.253 304 H ALA 39 H ALA 39 -19.600 -5.280 -32.501 305 HA ALA 39 HA ALA 39 -17.385 -4.342 -34.121 306 HB1 ALA 39 HB1 ALA 39 -18.747 -2.659 -34.607 307 HB2 ALA 39 HB2 ALA 39 -19.979 -3.426 -33.604 308 HB3 ALA 39 HB3 ALA 39 -18.895 -2.224 -32.904 309 H ALA 40 H ALA 40 -18.230 -4.609 -30.776 310 HA ALA 40 HA ALA 40 -16.733 -2.623 -29.583 311 HB1 ALA 40 HB1 ALA 40 -16.616 -4.069 -27.618 312 HB2 ALA 40 HB2 ALA 40 -18.223 -4.105 -28.345 313 HB3 ALA 40 HB3 ALA 40 -17.110 -5.449 -28.600 314 H ILE 41 H ILE 41 -15.657 -5.583 -31.090 315 HA ILE 41 HA ILE 41 -13.131 -5.900 -30.031 316 HB ILE 41 HB ILE 41 -12.493 -7.012 -32.077 317 HG12 ILE 41 HG12 ILE 41 -14.977 -5.771 -33.281 318 HG13 ILE 41 HG13 ILE 41 -13.317 -5.332 -33.669 319 HG21 ILE 41 HG21 ILE 41 -15.355 -7.740 -32.010 320 HG22 ILE 41 HG22 ILE 41 -13.921 -8.751 -31.842 321 HG23 ILE 41 HG23 ILE 41 -14.490 -7.795 -30.474 322 HD11 ILE 41 HD11 ILE 41 -13.578 -8.124 -34.040 323 HD12 ILE 41 HD12 ILE 41 -14.941 -7.335 -34.835 324 HD13 ILE 41 HD13 ILE 41 -13.290 -6.871 -35.247 325 H GLU 42 H GLU 42 -14.282 -3.497 -32.282 326 HA GLU 42 HA GLU 42 -11.928 -2.599 -33.419 327 HB2 GLU 42 HB2 GLU 42 -13.047 -0.561 -33.885 328 HB3 GLU 42 HB3 GLU 42 -14.282 -1.812 -33.911 329 HG2 GLU 42 HG2 GLU 42 -14.663 -1.149 -31.441 330 HG3 GLU 42 HG3 GLU 42 -13.806 0.327 -31.884 331 H ALA 43 H ALA 43 -13.127 -2.160 -30.178 332 HA ALA 43 HA ALA 43 -11.209 -0.105 -29.511 333 HB1 ALA 43 HB1 ALA 43 -13.036 -1.698 -27.715 334 HB2 ALA 43 HB2 ALA 43 -12.126 -0.256 -27.263 335 HB3 ALA 43 HB3 ALA 43 -13.420 -0.143 -28.455 336 H LEU 44 H LEU 44 -11.629 -3.565 -28.896 337 HA LEU 44 HA LEU 44 -9.431 -3.873 -27.159 338 HB2 LEU 44 HB2 LEU 44 -10.542 -5.950 -29.034 339 HB3 LEU 44 HB3 LEU 44 -9.650 -6.227 -27.539 340 HG LEU 44 HG LEU 44 -12.358 -4.912 -27.616 341 HD11 LEU 44 HD11 LEU 44 -11.603 -7.756 -27.787 342 HD12 LEU 44 HD12 LEU 44 -13.072 -6.934 -28.312 343 HD13 LEU 44 HD13 LEU 44 -12.856 -7.353 -26.613 344 HD21 LEU 44 HD21 LEU 44 -12.242 -4.842 -25.378 345 HD22 LEU 44 HD22 LEU 44 -10.501 -4.984 -25.628 346 HD23 LEU 44 HD23 LEU 44 -11.461 -6.420 -25.269 347 H ASP 45 H ASP 45 -9.701 -3.765 -30.635 348 HA ASP 45 HA ASP 45 -7.315 -4.959 -31.401 349 HB2 ASP 45 HB2 ASP 45 -9.289 -3.886 -32.792 350 HB3 ASP 45 HB3 ASP 45 -8.223 -2.483 -32.808 351 H ARG 46 H ARG 46 -7.887 -1.889 -29.890 352 HA ARG 46 HA ARG 46 -5.402 -0.677 -30.551 353 HB2 ARG 46 HB2 ARG 46 -7.508 0.488 -29.727 354 HB3 ARG 46 HB3 ARG 46 -7.076 -0.073 -28.117 355 HG2 ARG 46 HG2 ARG 46 -6.224 2.073 -28.168 356 HG3 ARG 46 HG3 ARG 46 -4.816 1.085 -28.563 357 HD2 ARG 46 HD2 ARG 46 -4.936 3.005 -30.040 358 HD3 ARG 46 HD3 ARG 46 -5.199 1.517 -30.949 359 HE ARG 46 HE ARG 46 -7.699 2.461 -30.218 360 HH11 ARG 46 HH11 ARG 46 -5.005 3.525 -32.149 361 HH12 ARG 46 HH12 ARG 46 -5.984 4.451 -33.238 362 HH21 ARG 46 HH21 ARG 46 -8.999 3.676 -31.645 363 HH22 ARG 46 HH22 ARG 46 -8.255 4.536 -32.950 364 H LEU 47 H LEU 47 -6.549 -1.986 -27.433 365 HA LEU 47 HA LEU 47 -4.028 -1.963 -26.195 366 HB2 LEU 47 HB2 LEU 47 -5.022 -3.110 -24.427 367 HB3 LEU 47 HB3 LEU 47 -6.335 -2.171 -25.134 368 HG LEU 47 HG LEU 47 -6.733 -4.459 -26.442 369 HD11 LEU 47 HD11 LEU 47 -5.703 -6.241 -25.621 370 HD12 LEU 47 HD12 LEU 47 -6.246 -5.858 -23.988 371 HD13 LEU 47 HD13 LEU 47 -4.741 -5.172 -24.600 372 HD21 LEU 47 HD21 LEU 47 -7.694 -4.377 -23.622 373 HD22 LEU 47 HD22 LEU 47 -8.577 -4.741 -25.105 374 HD23 LEU 47 HD23 LEU 47 -8.146 -3.074 -24.721 375 H LEU 48 H LEU 48 -5.649 -4.362 -28.174 376 HA LEU 48 HA LEU 48 -3.914 -6.526 -27.618 377 HB2 LEU 48 HB2 LEU 48 -5.688 -5.916 -29.972 378 HB3 LEU 48 HB3 LEU 48 -4.786 -7.421 -29.804 379 HG LEU 48 HG LEU 48 -6.789 -6.508 -27.754 380 HD11 LEU 48 HD11 LEU 48 -7.310 -7.354 -30.428 381 HD12 LEU 48 HD12 LEU 48 -8.453 -6.959 -29.145 382 HD13 LEU 48 HD13 LEU 48 -7.847 -8.607 -29.310 383 HD21 LEU 48 HD21 LEU 48 -6.287 -9.353 -28.272 384 HD22 LEU 48 HD22 LEU 48 -6.430 -8.482 -26.745 385 HD23 LEU 48 HD23 LEU 48 -4.906 -8.460 -27.634 386 H LEU 49 H LEU 49 -4.079 -4.417 -30.494 387 HA LEU 49 HA LEU 49 -1.709 -5.336 -31.671 388 HB2 LEU 49 HB2 LEU 49 -3.343 -4.092 -32.931 389 HB3 LEU 49 HB3 LEU 49 -3.109 -2.678 -31.906 390 HG LEU 49 HG LEU 49 -0.623 -2.903 -32.826 391 HD11 LEU 49 HD11 LEU 49 -0.948 -4.879 -34.137 392 HD12 LEU 49 HD12 LEU 49 -0.727 -3.516 -35.235 393 HD13 LEU 49 HD13 LEU 49 -2.341 -4.169 -34.953 394 HD21 LEU 49 HD21 LEU 49 -2.780 -1.232 -33.252 395 HD22 LEU 49 HD22 LEU 49 -2.280 -1.690 -34.880 396 HD23 LEU 49 HD23 LEU 49 -1.120 -0.949 -33.777 397 H ASP 50 H ASP 50 -2.291 -2.946 -29.195 398 HA ASP 50 HA ASP 50 0.237 -1.672 -29.294 399 HB2 ASP 50 HB2 ASP 50 -1.978 -1.830 -27.290 400 HB3 ASP 50 HB3 ASP 50 -0.423 -1.168 -26.794 401 H VAL 51 H VAL 51 -1.014 -3.967 -26.862 402 HA VAL 51 HA VAL 51 1.476 -4.471 -25.666 403 HB VAL 51 HB VAL 51 -0.734 -4.992 -24.632 404 HG11 VAL 51 HG11 VAL 51 -1.994 -6.879 -25.236 405 HG12 VAL 51 HG12 VAL 51 -1.599 -6.090 -26.765 406 HG13 VAL 51 HG13 VAL 51 -0.704 -7.521 -26.252 407 HG21 VAL 51 HG21 VAL 51 1.697 -6.301 -24.362 408 HG22 VAL 51 HG22 VAL 51 0.359 -6.319 -23.213 409 HG23 VAL 51 HG23 VAL 51 0.505 -7.600 -24.415 410 H ARG 52 H ARG 52 -0.001 -5.735 -28.530 411 HA ARG 52 HA ARG 52 1.704 -8.055 -28.697 412 HB2 ARG 52 HB2 ARG 52 -0.595 -8.012 -29.645 413 HB3 ARG 52 HB3 ARG 52 -0.059 -6.818 -30.819 414 HG2 ARG 52 HG2 ARG 52 1.423 -8.387 -31.842 415 HG3 ARG 52 HG3 ARG 52 1.131 -9.569 -30.565 416 HD2 ARG 52 HD2 ARG 52 -1.109 -8.517 -32.258 417 HD3 ARG 52 HD3 ARG 52 -0.099 -9.853 -32.809 418 HE ARG 52 HE ARG 52 -2.155 -9.958 -30.833 419 HH11 ARG 52 HH11 ARG 52 0.885 -11.351 -31.800 420 HH12 ARG 52 HH12 ARG 52 0.587 -12.868 -31.020 421 HH21 ARG 52 HH21 ARG 52 -2.559 -11.952 -29.801 422 HH22 ARG 52 HH22 ARG 52 -1.373 -13.210 -29.884 423 H ALA 53 H ALA 53 1.681 -4.779 -29.913 424 HA ALA 53 HA ALA 53 3.994 -5.304 -31.621 425 HB1 ALA 53 HB1 ALA 53 2.158 -3.957 -32.532 426 HB2 ALA 53 HB2 ALA 53 2.411 -2.763 -31.258 427 HB3 ALA 53 HB3 ALA 53 3.668 -3.049 -32.462 428 H ARG 54 H ARG 54 4.065 -5.328 -28.631 429 HA ARG 54 HA ARG 54 5.365 -4.584 -26.914 430 HB2 ARG 54 HB2 ARG 54 7.157 -3.964 -29.265 431 HB3 ARG 54 HB3 ARG 54 7.680 -3.861 -27.589 432 HG2 ARG 54 HG2 ARG 54 7.620 -6.146 -27.288 433 HG3 ARG 54 HG3 ARG 54 6.481 -6.394 -28.613 434 HD2 ARG 54 HD2 ARG 54 8.757 -7.179 -29.151 435 HD3 ARG 54 HD3 ARG 54 8.199 -5.907 -30.237 436 HE ARG 54 HE ARG 54 9.594 -4.640 -28.220 437 HH11 ARG 54 HH11 ARG 54 10.257 -7.021 -30.672 438 HH12 ARG 54 HH12 ARG 54 11.922 -6.574 -30.840 439 HH21 ARG 54 HH21 ARG 54 11.784 -4.042 -28.433 440 HH22 ARG 54 HH22 ARG 54 12.790 -4.880 -29.566 441 H ARG 55 H ARG 55 3.431 -2.820 -27.286 442 HA ARG 55 HA ARG 55 4.762 -0.191 -27.210 443 HB2 ARG 55 HB2 ARG 55 2.035 -0.985 -28.208 444 HB3 ARG 55 HB3 ARG 55 2.404 0.676 -27.762 445 HG2 ARG 55 HG2 ARG 55 3.950 -0.895 -29.809 446 HG3 ARG 55 HG3 ARG 55 2.606 0.183 -30.192 447 HD2 ARG 55 HD2 ARG 55 5.242 0.911 -28.928 448 HD3 ARG 55 HD3 ARG 55 4.651 1.384 -30.520 449 HE ARG 55 HE ARG 55 2.790 2.350 -28.759 450 HH11 ARG 55 HH11 ARG 55 6.222 2.723 -29.206 451 HH12 ARG 55 HH12 ARG 55 6.262 4.334 -28.571 452 HH21 ARG 55 HH21 ARG 55 2.829 4.471 -27.921 453 HH22 ARG 55 HH22 ARG 55 4.331 5.328 -27.840 454 H VAL 56 H VAL 56 4.288 -2.168 -25.041 455 HA VAL 56 HA VAL 56 2.448 -0.635 -23.334 456 HB VAL 56 HB VAL 56 2.608 -2.636 -21.803 457 HG11 VAL 56 HG11 VAL 56 1.356 -2.629 -24.500 458 HG12 VAL 56 HG12 VAL 56 1.268 -4.106 -23.538 459 HG13 VAL 56 HG13 VAL 56 0.605 -2.598 -22.905 460 HG21 VAL 56 HG21 VAL 56 4.751 -3.387 -23.136 461 HG22 VAL 56 HG22 VAL 56 3.670 -4.576 -22.408 462 HG23 VAL 56 HG23 VAL 56 3.562 -4.226 -24.133 463 H ASP 57 H ASP 57 3.080 0.011 -21.256 464 HA ASP 57 HA ASP 57 5.905 -0.266 -20.552 465 HB2 ASP 57 HB2 ASP 57 6.118 2.142 -20.101 466 HB3 ASP 57 HB3 ASP 57 5.773 1.836 -21.801 467 H GLN 58 H GLN 58 6.190 1.043 -18.333 468 HA GLN 58 HA GLN 58 4.192 -0.123 -16.552 469 HB2 GLN 58 HB2 GLN 58 5.806 0.039 -14.822 470 HB3 GLN 58 HB3 GLN 58 6.673 -0.517 -16.248 471 HG2 GLN 58 HG2 GLN 58 7.185 1.999 -16.604 472 HG3 GLN 58 HG3 GLN 58 6.763 2.143 -14.899 473 HE21 GLN 58 HE21 GLN 58 8.674 2.493 -13.962 474 HE22 GLN 58 HE22 GLN 58 10.044 1.447 -14.080 475 H PHE 59 H PHE 59 2.986 1.037 -15.104 476 HA PHE 59 HA PHE 59 3.391 3.759 -14.478 477 HB2 PHE 59 HB2 PHE 59 1.442 4.720 -15.671 478 HB3 PHE 59 HB3 PHE 59 2.701 4.170 -16.771 479 HD1 PHE 59 HD2 PHE 59 -0.661 3.490 -15.468 480 HD2 PHE 59 HD1 PHE 59 2.326 2.353 -18.279 481 HE1 PHE 59 HE2 PHE 59 -2.315 2.117 -16.664 482 HE2 PHE 59 HE1 PHE 59 0.676 0.979 -19.481 483 HZ PHE 59 HZ PHE 59 -1.647 0.858 -18.673 484 H GLN 60 H GLN 60 1.528 4.680 -13.254 485 HA GLN 60 HA GLN 60 0.001 2.523 -11.953 486 HB2 GLN 60 HB2 GLN 60 -0.019 4.043 -9.947 487 HB3 GLN 60 HB3 GLN 60 1.559 3.398 -10.378 488 HG2 GLN 60 HG2 GLN 60 2.157 5.495 -11.435 489 HG3 GLN 60 HG3 GLN 60 0.557 6.147 -11.084 490 HE21 GLN 60 HE21 GLN 60 -0.045 6.266 -8.787 491 HE22 GLN 60 HE22 GLN 60 1.186 6.643 -7.636 492 H ILE 61 H ILE 61 -2.161 2.693 -11.841 493 HA ILE 61 HA ILE 61 -3.421 4.901 -13.238 494 HB ILE 61 HB ILE 61 -4.750 2.509 -11.967 495 HG12 ILE 61 HG12 ILE 61 -3.810 2.870 -14.820 496 HG13 ILE 61 HG13 ILE 61 -3.054 1.821 -13.626 497 HG21 ILE 61 HG21 ILE 61 -6.665 3.397 -12.651 498 HG22 ILE 61 HG22 ILE 61 -5.786 4.848 -13.128 499 HG23 ILE 61 HG23 ILE 61 -6.048 3.552 -14.295 500 HD11 ILE 61 HD11 ILE 61 -5.827 1.190 -13.795 501 HD12 ILE 61 HD12 ILE 61 -5.129 1.207 -15.415 502 HD13 ILE 61 HD13 ILE 61 -4.429 0.181 -14.163 503 H ASN 62 H ASN 62 -3.503 3.443 -10.004 504 HA ASN 62 HA ASN 62 -4.275 6.009 -8.883 505 HB2 ASN 62 HB2 ASN 62 -6.343 4.465 -9.490 506 HB3 ASN 62 HB3 ASN 62 -5.908 3.679 -7.975 507 HD21 ASN 62 HD21 ASN 62 -6.993 6.638 -9.462 508 HD22 ASN 62 HD22 ASN 62 -7.572 7.384 -8.016 509 H ALA 63 H ALA 63 -4.567 5.635 -6.359 510 HA ALA 63 HA ALA 63 -2.222 4.071 -5.514 511 HB1 ALA 63 HB1 ALA 63 -2.742 6.728 -5.122 512 HB2 ALA 63 HB2 ALA 63 -3.266 6.012 -3.598 513 HB3 ALA 63 HB3 ALA 63 -1.619 5.756 -4.172 514 H SER 64 H SER 64 -5.629 4.503 -5.084 515 HA SER 64 HA SER 64 -5.681 2.815 -2.704 516 HB2 SER 64 HB2 SER 64 -7.119 4.904 -2.958 517 HB3 SER 64 HB3 SER 64 -8.063 3.994 -4.137 518 HG SER 64 HG SER 64 -7.593 3.195 -1.454 519 H ALA 65 H ALA 65 -4.734 1.513 -4.962 520 HA ALA 65 HA ALA 65 -6.540 -0.701 -5.094 521 HB1 ALA 65 HB1 ALA 65 -7.487 -0.472 -7.107 522 HB2 ALA 65 HB2 ALA 65 -7.061 1.233 -6.958 523 HB3 ALA 65 HB3 ALA 65 -6.001 0.133 -7.840 524 H ALA 66 H ALA 66 -5.653 -2.399 -6.685 525 HA ALA 66 HA ALA 66 -3.092 -3.121 -5.953 526 HB1 ALA 66 HB1 ALA 66 -3.532 -4.984 -7.099 527 HB2 ALA 66 HB2 ALA 66 -5.106 -4.264 -7.437 528 HB3 ALA 66 HB3 ALA 66 -3.793 -4.100 -8.602 529 H GLN 67 H GLN 67 -1.064 -2.911 -6.825 530 HA GLN 67 HA GLN 67 -0.788 -0.867 -8.923 531 HB2 GLN 67 HB2 GLN 67 0.778 -1.512 -6.481 532 HB3 GLN 67 HB3 GLN 67 1.675 -0.944 -7.883 533 HG2 GLN 67 HG2 GLN 67 -0.724 0.588 -7.043 534 HG3 GLN 67 HG3 GLN 67 0.736 0.712 -6.062 535 HE21 GLN 67 HE21 GLN 67 0.538 2.983 -6.772 536 HE22 GLN 67 HE22 GLN 67 1.277 3.434 -8.267 537 H ILE 68 H ILE 68 0.696 -1.166 -10.603 538 HA ILE 68 HA ILE 68 1.939 -3.805 -10.847 539 HB ILE 68 HB ILE 68 0.300 -2.609 -13.080 540 HG12 ILE 68 HG12 ILE 68 -1.046 -4.840 -12.488 541 HG13 ILE 68 HG13 ILE 68 -0.413 -4.490 -10.883 542 HG21 ILE 68 HG21 ILE 68 0.725 -5.388 -13.366 543 HG22 ILE 68 HG22 ILE 68 1.355 -4.078 -14.363 544 HG23 ILE 68 HG23 ILE 68 2.280 -4.654 -12.976 545 HD11 ILE 68 HD11 ILE 68 -1.436 -2.074 -11.879 546 HD12 ILE 68 HD12 ILE 68 -2.628 -3.322 -12.242 547 HD13 ILE 68 HD13 ILE 68 -2.082 -3.079 -10.583 548 H ILE 69 H ILE 69 3.837 -3.827 -11.973 549 HA ILE 69 HA ILE 69 4.652 -1.396 -13.389 550 HB ILE 69 HB ILE 69 6.328 -2.733 -11.262 551 HG12 ILE 69 HG12 ILE 69 6.171 -0.228 -10.413 552 HG13 ILE 69 HG13 ILE 69 4.674 -0.246 -11.339 553 HG21 ILE 69 HG21 ILE 69 7.881 -2.037 -12.827 554 HG22 ILE 69 HG22 ILE 69 6.922 -0.638 -13.308 555 HG23 ILE 69 HG23 ILE 69 7.773 -0.635 -11.763 556 HD11 ILE 69 HD11 ILE 69 5.158 -1.228 -8.729 557 HD12 ILE 69 HD12 ILE 69 3.649 -1.215 -9.643 558 HD13 ILE 69 HD13 ILE 69 4.741 -2.594 -9.764 559 H VAL 70 H VAL 70 5.147 -2.043 -15.371 560 HA VAL 70 HA VAL 70 5.952 -4.740 -15.948 561 HB VAL 70 HB VAL 70 5.824 -2.326 -17.762 562 HG11 VAL 70 HG11 VAL 70 5.507 -4.580 -19.308 563 HG12 VAL 70 HG12 VAL 70 6.979 -3.616 -19.175 564 HG13 VAL 70 HG13 VAL 70 6.769 -5.050 -18.170 565 HG21 VAL 70 HG21 VAL 70 3.702 -3.224 -18.511 566 HG22 VAL 70 HG22 VAL 70 3.862 -4.592 -17.409 567 HG23 VAL 70 HG23 VAL 70 3.659 -2.962 -16.768 568 H THR 71 H THR 71 7.939 -5.502 -16.499 569 HA THR 71 HA THR 71 10.200 -3.697 -16.008 570 HB THR 71 HB THR 71 11.427 -6.050 -16.088 571 HG1 THR 71 HG1 THR 71 10.119 -7.708 -15.934 572 HG21 THR 71 HG21 THR 71 11.072 -6.237 -13.641 573 HG22 THR 71 HG22 THR 71 9.776 -5.047 -13.767 574 HG23 THR 71 HG23 THR 71 11.434 -4.591 -14.157 575 H ASP 72 H ASP 72 9.862 -2.786 -18.189 576 HA ASP 72 HA ASP 72 10.766 -4.534 -20.363 577 HB2 ASP 72 HB2 ASP 72 10.034 -2.691 -21.855 578 HB3 ASP 72 HB3 ASP 72 8.733 -3.298 -20.834 Start of MODEL 14 1 H1 MET 1 H MET 1 0.390 1.626 -2.570 2 HA MET 1 HA MET 1 2.308 0.020 -1.591 3 HB2 MET 1 HB2 MET 1 0.149 1.001 -0.476 4 HB3 MET 1 HB3 MET 1 -0.508 -0.601 -0.783 5 HG2 MET 1 HG2 MET 1 0.295 -0.814 1.356 6 HG3 MET 1 HG3 MET 1 1.637 -1.436 0.398 7 HE1 MET 1 HE1 MET 1 0.971 2.485 2.353 8 HE2 MET 1 HE2 MET 1 0.083 0.969 2.511 9 HE3 MET 1 HE3 MET 1 1.452 1.305 3.573 10 H ASP 2 H ASP 2 -0.636 -1.147 -3.199 11 HA ASP 2 HA ASP 2 0.323 -3.887 -3.111 12 HB2 ASP 2 HB2 ASP 2 -2.133 -3.094 -2.839 13 HB3 ASP 2 HB3 ASP 2 -2.124 -2.974 -4.596 14 H ARG 3 H ARG 3 2.255 -3.077 -4.415 15 HA ARG 3 HA ARG 3 1.844 -2.541 -7.199 16 HB2 ARG 3 HB2 ARG 3 4.330 -2.821 -7.337 17 HB3 ARG 3 HB3 ARG 3 3.798 -1.623 -6.165 18 HG2 ARG 3 HG2 ARG 3 4.341 -2.981 -4.349 19 HG3 ARG 3 HG3 ARG 3 4.401 -4.438 -5.342 20 HD2 ARG 3 HD2 ARG 3 6.447 -3.812 -6.321 21 HD3 ARG 3 HD3 ARG 3 6.302 -2.150 -5.752 22 HE ARG 3 HE ARG 3 6.394 -3.964 -3.573 23 HH11 ARG 3 HH11 ARG 3 8.391 -2.443 -5.985 24 HH12 ARG 3 HH12 ARG 3 9.833 -2.522 -5.028 25 HH21 ARG 3 HH21 ARG 3 8.286 -4.074 -2.304 26 HH22 ARG 3 HH22 ARG 3 9.772 -3.451 -2.935 27 H ILE 4 H ILE 4 2.616 -3.891 -8.947 28 HA ILE 4 HA ILE 4 2.797 -6.751 -8.343 29 HB ILE 4 HB ILE 4 0.912 -5.610 -10.409 30 HG12 ILE 4 HG12 ILE 4 0.298 -7.124 -7.862 31 HG13 ILE 4 HG13 ILE 4 0.135 -5.382 -8.053 32 HG21 ILE 4 HG21 ILE 4 1.818 -7.651 -11.230 33 HG22 ILE 4 HG22 ILE 4 1.619 -8.440 -9.666 34 HG23 ILE 4 HG23 ILE 4 0.202 -8.007 -10.622 35 HD11 ILE 4 HD11 ILE 4 -1.966 -5.792 -8.632 36 HD12 ILE 4 HD12 ILE 4 -1.321 -6.398 -10.158 37 HD13 ILE 4 HD13 ILE 4 -1.657 -7.516 -8.836 38 H PHE 5 H PHE 5 4.746 -7.244 -9.117 39 HA PHE 5 HA PHE 5 5.823 -5.925 -11.452 40 HB2 PHE 5 HB2 PHE 5 7.851 -7.156 -10.997 41 HB3 PHE 5 HB3 PHE 5 7.232 -6.512 -9.479 42 HD1 PHE 5 HD2 PHE 5 6.221 -7.997 -7.819 43 HD2 PHE 5 HD1 PHE 5 7.949 -9.507 -11.404 44 HE1 PHE 5 HE2 PHE 5 6.269 -10.254 -6.841 45 HE2 PHE 5 HE1 PHE 5 7.998 -11.767 -10.432 46 HZ PHE 5 HZ PHE 5 7.158 -12.143 -8.148 47 H MET 6 H MET 6 5.866 -6.683 -13.480 48 HA MET 6 HA MET 6 5.516 -9.505 -14.030 49 HB2 MET 6 HB2 MET 6 3.387 -7.493 -14.465 50 HB3 MET 6 HB3 MET 6 3.671 -8.618 -15.786 51 HG2 MET 6 HG2 MET 6 3.257 -10.495 -14.345 52 HG3 MET 6 HG3 MET 6 3.129 -9.436 -12.943 53 HE1 MET 6 HE1 MET 6 1.077 -10.495 -12.232 54 HE2 MET 6 HE2 MET 6 -0.521 -10.295 -12.950 55 HE3 MET 6 HE3 MET 6 0.581 -11.519 -13.580 56 H THR 7 H THR 7 6.190 -10.107 -16.097 57 HA THR 7 HA THR 7 7.960 -8.201 -17.372 58 HB THR 7 HB THR 7 8.834 -10.028 -18.628 59 HG1 THR 7 HG1 THR 7 7.775 -12.077 -18.611 60 HG21 THR 7 HG21 THR 7 9.298 -9.941 -16.131 61 HG22 THR 7 HG22 THR 7 9.592 -11.488 -16.927 62 HG23 THR 7 HG23 THR 7 8.130 -11.252 -15.969 63 H ARG 8 H ARG 8 8.011 -8.603 -19.940 64 HA ARG 8 HA ARG 8 5.894 -7.189 -21.014 65 HB2 ARG 8 HB2 ARG 8 8.288 -8.177 -21.959 66 HB3 ARG 8 HB3 ARG 8 7.102 -9.056 -22.915 67 HG2 ARG 8 HG2 ARG 8 6.578 -6.185 -22.692 68 HG3 ARG 8 HG3 ARG 8 8.084 -6.596 -23.516 69 HD2 ARG 8 HD2 ARG 8 5.441 -7.859 -24.203 70 HD3 ARG 8 HD3 ARG 8 6.027 -6.387 -24.976 71 HE ARG 8 HE ARG 8 8.068 -8.192 -25.247 72 HH11 ARG 8 HH11 ARG 8 4.703 -8.088 -26.133 73 HH12 ARG 8 HH12 ARG 8 4.906 -9.088 -27.533 74 HH21 ARG 8 HH21 ARG 8 8.348 -9.510 -27.088 75 HH22 ARG 8 HH22 ARG 8 6.980 -9.898 -28.075 76 H THR 9 H THR 9 6.489 -10.680 -21.469 77 HA THR 9 HA THR 9 4.073 -11.277 -22.715 78 HB THR 9 HB THR 9 5.398 -13.241 -20.866 79 HG1 THR 9 HG1 THR 9 6.334 -12.374 -23.418 80 HG21 THR 9 HG21 THR 9 4.091 -14.688 -21.943 81 HG22 THR 9 HG22 THR 9 4.823 -14.222 -23.478 82 HG23 THR 9 HG23 THR 9 3.404 -13.363 -22.881 83 H GLU 10 H GLU 10 4.774 -10.669 -19.384 84 HA GLU 10 HA GLU 10 2.315 -11.864 -18.425 85 HB2 GLU 10 HB2 GLU 10 4.288 -10.127 -16.935 86 HB3 GLU 10 HB3 GLU 10 3.027 -11.127 -16.227 87 HG2 GLU 10 HG2 GLU 10 5.213 -12.306 -17.902 88 HG3 GLU 10 HG3 GLU 10 5.421 -12.004 -16.178 89 H ALA 11 H ALA 11 3.378 -8.836 -19.615 90 HA ALA 11 HA ALA 11 1.826 -6.981 -18.306 91 HB1 ALA 11 HB1 ALA 11 3.458 -6.374 -20.001 92 HB2 ALA 11 HB2 ALA 11 2.441 -7.082 -21.257 93 HB3 ALA 11 HB3 ALA 11 1.888 -5.661 -20.371 94 H LEU 12 H LEU 12 0.834 -9.424 -20.584 95 HA LEU 12 HA LEU 12 -1.592 -8.479 -21.477 96 HB2 LEU 12 HB2 LEU 12 -1.038 -11.312 -20.613 97 HB3 LEU 12 HB3 LEU 12 -2.265 -10.780 -21.760 98 HG LEU 12 HG LEU 12 0.614 -10.239 -22.341 99 HD11 LEU 12 HD11 LEU 12 0.971 -12.373 -23.273 100 HD12 LEU 12 HD12 LEU 12 -0.719 -12.833 -23.066 101 HD13 LEU 12 HD13 LEU 12 0.327 -12.659 -21.656 102 HD21 LEU 12 HD21 LEU 12 -1.170 -11.163 -24.449 103 HD22 LEU 12 HD22 LEU 12 -0.146 -9.728 -24.377 104 HD23 LEU 12 HD23 LEU 12 -1.749 -9.707 -23.640 105 H GLU 13 H GLU 13 -0.848 -10.030 -18.387 106 HA GLU 13 HA GLU 13 -3.519 -10.162 -17.458 107 HB2 GLU 13 HB2 GLU 13 -1.236 -11.247 -16.592 108 HB3 GLU 13 HB3 GLU 13 -1.295 -9.866 -15.506 109 HG2 GLU 13 HG2 GLU 13 -2.292 -11.878 -14.528 110 HG3 GLU 13 HG3 GLU 13 -3.446 -10.554 -14.672 111 H PHE 14 H PHE 14 -1.045 -7.687 -17.344 112 HA PHE 14 HA PHE 14 -2.296 -6.027 -15.416 113 HB2 PHE 14 HB2 PHE 14 0.032 -5.695 -15.835 114 HB3 PHE 14 HB3 PHE 14 -0.246 -5.467 -17.559 115 HD1 PHE 14 HD2 PHE 14 -2.007 -3.971 -14.646 116 HD2 PHE 14 HD1 PHE 14 0.500 -3.327 -18.025 117 HE1 PHE 14 HE2 PHE 14 -2.163 -1.541 -14.295 118 HE2 PHE 14 HE1 PHE 14 0.349 -0.896 -17.678 119 HZ PHE 14 HZ PHE 14 -0.985 0.000 -15.812 120 H LEU 15 H LEU 15 -2.279 -5.988 -18.968 121 HA LEU 15 HA LEU 15 -4.063 -3.758 -19.142 122 HB2 LEU 15 HB2 LEU 15 -3.885 -3.962 -21.439 123 HB3 LEU 15 HB3 LEU 15 -2.338 -4.579 -20.862 124 HG LEU 15 HG LEU 15 -3.696 -6.887 -21.033 125 HD11 LEU 15 HD11 LEU 15 -5.390 -6.936 -22.512 126 HD12 LEU 15 HD12 LEU 15 -4.681 -5.683 -23.531 127 HD13 LEU 15 HD13 LEU 15 -5.560 -5.237 -22.069 128 HD21 LEU 15 HD21 LEU 15 -2.499 -5.663 -23.498 129 HD22 LEU 15 HD22 LEU 15 -2.437 -7.339 -22.953 130 HD23 LEU 15 HD23 LEU 15 -1.511 -6.100 -22.104 131 H LEU 16 H LEU 16 -4.420 -7.194 -18.892 132 HA LEU 16 HA LEU 16 -7.150 -7.236 -19.820 133 HB2 LEU 16 HB2 LEU 16 -5.588 -9.155 -20.059 134 HB3 LEU 16 HB3 LEU 16 -5.622 -9.348 -18.307 135 HG LEU 16 HG LEU 16 -8.181 -9.621 -18.637 136 HD11 LEU 16 HD11 LEU 16 -8.449 -10.874 -20.925 137 HD12 LEU 16 HD12 LEU 16 -7.126 -9.817 -21.415 138 HD13 LEU 16 HD13 LEU 16 -8.637 -9.123 -20.825 139 HD21 LEU 16 HD21 LEU 16 -7.018 -11.457 -17.813 140 HD22 LEU 16 HD22 LEU 16 -6.044 -11.623 -19.275 141 HD23 LEU 16 HD23 LEU 16 -7.749 -12.076 -19.294 142 H LYS 17 H LYS 17 -5.470 -7.012 -16.764 143 HA LYS 17 HA LYS 17 -7.894 -7.381 -15.216 144 HB2 LYS 17 HB2 LYS 17 -6.524 -7.278 -13.294 145 HB3 LYS 17 HB3 LYS 17 -5.578 -8.151 -14.493 146 HG2 LYS 17 HG2 LYS 17 -4.366 -6.061 -15.006 147 HG3 LYS 17 HG3 LYS 17 -5.266 -5.258 -13.717 148 HD2 LYS 17 HD2 LYS 17 -3.585 -7.719 -13.275 149 HD3 LYS 17 HD3 LYS 17 -2.963 -6.076 -13.095 150 HE2 LYS 17 HE2 LYS 17 -4.176 -5.680 -11.200 151 HE3 LYS 17 HE3 LYS 17 -5.473 -6.778 -11.669 152 HZ1 LYS 17 HZ1 LYS 17 -3.958 -7.468 -9.758 153 HZ2 LYS 17 HZ2 LYS 17 -2.797 -7.794 -10.944 154 HZ3 LYS 17 HZ3 LYS 17 -4.273 -8.620 -10.957 155 H ALA 18 H ALA 18 -5.876 -4.772 -16.372 156 HA ALA 18 HA ALA 18 -6.758 -2.697 -14.728 157 HB1 ALA 18 HB1 ALA 18 -6.180 -1.236 -16.738 158 HB2 ALA 18 HB2 ALA 18 -4.895 -2.249 -16.078 159 HB3 ALA 18 HB3 ALA 18 -5.735 -2.737 -17.550 160 H HIS 19 H HIS 19 -8.287 -4.263 -17.440 161 HA HIS 19 HA HIS 19 -10.193 -2.306 -18.088 162 HB2 HIS 19 HB2 HIS 19 -9.611 -4.426 -19.384 163 HB3 HIS 19 HB3 HIS 19 -10.669 -5.280 -18.264 164 HD1 HIS 19 HD1 HIS 19 -12.376 -5.886 -20.075 165 HD2 HIS 19 HD2 HIS 19 -11.747 -1.799 -19.675 166 HE1 HIS 19 HE1 HIS 19 -14.213 -4.790 -21.398 167 H GLN 20 H GLN 20 -10.505 -5.168 -15.984 168 HA GLN 20 HA GLN 20 -13.110 -4.665 -15.111 169 HB2 GLN 20 HB2 GLN 20 -11.594 -6.750 -14.790 170 HB3 GLN 20 HB3 GLN 20 -11.055 -5.934 -13.328 171 HG2 GLN 20 HG2 GLN 20 -13.974 -6.223 -13.778 172 HG3 GLN 20 HG3 GLN 20 -13.051 -7.649 -13.308 173 HE21 GLN 20 HE21 GLN 20 -14.617 -7.371 -11.462 174 HE22 GLN 20 HE22 GLN 20 -14.079 -6.422 -10.123 175 H THR 21 H THR 21 -10.077 -3.276 -14.150 176 HA THR 21 HA THR 21 -10.914 -2.216 -11.651 177 HB THR 21 HB THR 21 -8.770 -0.964 -13.348 178 HG1 THR 21 HG1 THR 21 -7.376 -2.595 -12.348 179 HG21 THR 21 HG21 THR 21 -9.570 -0.962 -10.523 180 HG22 THR 21 HG22 THR 21 -8.664 0.237 -11.446 181 HG23 THR 21 HG23 THR 21 -7.841 -1.179 -10.793 182 H ALA 22 H ALA 22 -10.702 -0.839 -14.918 183 HA ALA 22 HA ALA 22 -11.672 1.729 -14.154 184 HB1 ALA 22 HB1 ALA 22 -11.571 0.447 -16.883 185 HB2 ALA 22 HB2 ALA 22 -11.839 2.159 -16.552 186 HB3 ALA 22 HB3 ALA 22 -10.294 1.413 -16.144 187 H VAL 23 H VAL 23 -13.167 -1.169 -15.518 188 HA VAL 23 HA VAL 23 -15.709 -0.086 -16.026 189 HB VAL 23 HB VAL 23 -15.015 -2.934 -15.290 190 HG11 VAL 23 HG11 VAL 23 -17.515 -1.599 -16.049 191 HG12 VAL 23 HG12 VAL 23 -17.152 -3.065 -16.962 192 HG13 VAL 23 HG13 VAL 23 -17.252 -3.123 -15.202 193 HG21 VAL 23 HG21 VAL 23 -14.086 -3.140 -17.295 194 HG22 VAL 23 HG22 VAL 23 -15.552 -2.535 -18.067 195 HG23 VAL 23 HG23 VAL 23 -14.297 -1.408 -17.552 196 H ASP 24 H ASP 24 -14.322 -1.568 -13.136 197 HA ASP 24 HA ASP 24 -16.700 -1.677 -11.623 198 HB2 ASP 24 HB2 ASP 24 -14.933 -2.992 -10.810 199 HB3 ASP 24 HB3 ASP 24 -13.781 -1.663 -10.903 200 H LYS 25 H LYS 25 -14.413 0.877 -12.261 201 HA LYS 25 HA LYS 25 -15.125 2.617 -10.161 202 HB2 LYS 25 HB2 LYS 25 -13.133 2.712 -11.837 203 HB3 LYS 25 HB3 LYS 25 -14.251 3.610 -12.855 204 HG2 LYS 25 HG2 LYS 25 -13.875 4.465 -10.029 205 HG3 LYS 25 HG3 LYS 25 -12.627 4.845 -11.217 206 HD2 LYS 25 HD2 LYS 25 -14.706 5.664 -12.623 207 HD3 LYS 25 HD3 LYS 25 -15.435 5.819 -11.023 208 HE2 LYS 25 HE2 LYS 25 -13.923 7.439 -10.351 209 HE3 LYS 25 HE3 LYS 25 -12.721 6.957 -11.547 210 HZ1 LYS 25 HZ1 LYS 25 -13.749 8.132 -13.192 211 HZ2 LYS 25 HZ2 LYS 25 -14.142 9.107 -11.868 212 HZ3 LYS 25 HZ3 LYS 25 -15.284 8.025 -12.489 213 H ILE 26 H ILE 26 -16.422 2.153 -13.407 214 HA ILE 26 HA ILE 26 -18.175 4.386 -13.356 215 HB ILE 26 HB ILE 26 -18.487 1.862 -14.983 216 HG12 ILE 26 HG12 ILE 26 -16.250 2.810 -15.298 217 HG13 ILE 26 HG13 ILE 26 -17.233 3.043 -16.739 218 HG21 ILE 26 HG21 ILE 26 -19.672 3.347 -16.551 219 HG22 ILE 26 HG22 ILE 26 -20.468 3.250 -14.982 220 HG23 ILE 26 HG23 ILE 26 -19.506 4.669 -15.396 221 HD11 ILE 26 HD11 ILE 26 -17.664 5.359 -16.032 222 HD12 ILE 26 HD12 ILE 26 -16.601 5.109 -14.647 223 HD13 ILE 26 HD13 ILE 26 -15.951 5.025 -16.285 224 H GLY 27 H GLY 27 -18.336 1.198 -12.034 225 HA2 GLY 27 HA2 GLY 27 -19.858 0.417 -10.456 226 HA3 GLY 27 HA3 GLY 27 -20.847 1.841 -10.743 227 H HIS 28 H HIS 28 -19.786 -0.100 -13.417 228 HA HIS 28 HA HIS 28 -22.512 -1.194 -13.663 229 HB2 HIS 28 HB2 HIS 28 -20.749 0.144 -15.666 230 HB3 HIS 28 HB3 HIS 28 -21.813 -1.145 -16.221 231 HD1 HIS 28 HD1 HIS 28 -24.378 -0.609 -14.791 232 HD2 HIS 28 HD2 HIS 28 -22.006 2.443 -16.315 233 HE1 HIS 28 HE1 HIS 28 -25.922 1.353 -15.099 234 HA PRO 29 HA PRO 29 -20.808 -5.222 -14.017 235 HB2 PRO 29 HB2 PRO 29 -22.491 -6.379 -15.805 236 HB3 PRO 29 HB3 PRO 29 -22.965 -6.005 -14.144 237 HG2 PRO 29 HG2 PRO 29 -23.510 -4.477 -16.660 238 HG3 PRO 29 HG3 PRO 29 -24.600 -4.830 -15.307 239 HD2 PRO 29 HD2 PRO 29 -23.367 -2.437 -15.597 240 HD3 PRO 29 HD3 PRO 29 -23.741 -3.132 -14.007 241 H SER 30 H SER 30 -19.501 -6.541 -15.289 242 HA SER 30 HA SER 30 -18.501 -5.273 -17.722 243 HB2 SER 30 HB2 SER 30 -17.414 -7.429 -15.916 244 HB3 SER 30 HB3 SER 30 -16.688 -7.069 -17.482 245 HG SER 30 HG SER 30 -17.098 -5.161 -15.422 246 H HIS 31 H HIS 31 -20.479 -7.872 -16.744 247 HA HIS 31 HA HIS 31 -20.267 -9.108 -19.409 248 HB2 HIS 31 HB2 HIS 31 -19.711 -10.607 -17.511 249 HB3 HIS 31 HB3 HIS 31 -21.326 -10.345 -16.859 250 HD1 HIS 31 HD1 HIS 31 -19.469 -12.237 -19.457 251 HD2 HIS 31 HD2 HIS 31 -23.409 -11.621 -18.293 252 HE1 HIS 31 HE1 HIS 31 -20.805 -14.005 -20.645 253 H LYS 32 H LYS 32 -21.770 -8.119 -20.631 254 HA LYS 32 HA LYS 32 -24.557 -8.413 -19.824 255 HB2 LYS 32 HB2 LYS 32 -23.344 -5.992 -19.453 256 HB3 LYS 32 HB3 LYS 32 -23.995 -5.809 -21.077 257 HG2 LYS 32 HG2 LYS 32 -25.867 -6.946 -19.127 258 HG3 LYS 32 HG3 LYS 32 -25.358 -5.289 -18.795 259 HD2 LYS 32 HD2 LYS 32 -26.150 -5.968 -21.578 260 HD3 LYS 32 HD3 LYS 32 -27.427 -5.839 -20.365 261 HE2 LYS 32 HE2 LYS 32 -25.397 -3.680 -20.441 262 HE3 LYS 32 HE3 LYS 32 -26.553 -3.747 -21.770 263 HZ1 LYS 32 HZ1 LYS 32 -28.345 -3.477 -20.305 264 HZ2 LYS 32 HZ2 LYS 32 -27.193 -2.354 -19.784 265 HZ3 LYS 32 HZ3 LYS 32 -27.405 -3.802 -18.936 266 H GLN 33 H GLN 33 -25.712 -9.208 -21.451 267 HA GLN 33 HA GLN 33 -24.555 -9.623 -24.018 268 HB2 GLN 33 HB2 GLN 33 -27.298 -10.110 -22.878 269 HB3 GLN 33 HB3 GLN 33 -26.931 -10.425 -24.569 270 HG2 GLN 33 HG2 GLN 33 -25.371 -11.637 -22.307 271 HG3 GLN 33 HG3 GLN 33 -26.798 -12.396 -23.010 272 HE21 GLN 33 HE21 GLN 33 -23.709 -12.813 -22.964 273 HE22 GLN 33 HE22 GLN 33 -23.367 -13.246 -24.601 274 H THR 34 H THR 34 -24.280 -8.020 -25.422 275 HA THR 34 HA THR 34 -26.561 -6.472 -26.288 276 HB THR 34 HB THR 34 -24.803 -4.395 -26.068 277 HG1 THR 34 HG1 THR 34 -23.520 -5.864 -24.664 278 HG21 THR 34 HG21 THR 34 -26.277 -4.199 -23.742 279 HG22 THR 34 HG22 THR 34 -27.246 -5.276 -24.747 280 HG23 THR 34 HG23 THR 34 -26.798 -3.679 -25.344 281 HA PRO 35 HA PRO 35 -24.504 -6.592 -30.163 282 HB2 PRO 35 HB2 PRO 35 -25.260 -4.238 -31.285 283 HB3 PRO 35 HB3 PRO 35 -26.367 -5.599 -31.069 284 HG2 PRO 35 HG2 PRO 35 -26.036 -3.143 -29.391 285 HG3 PRO 35 HG3 PRO 35 -27.527 -3.946 -29.916 286 HD2 PRO 35 HD2 PRO 35 -26.494 -4.270 -27.434 287 HD3 PRO 35 HD3 PRO 35 -27.388 -5.555 -28.271 288 H ALA 36 H ALA 36 -24.021 -3.712 -28.201 289 HA ALA 36 HA ALA 36 -21.960 -2.493 -29.623 290 HB1 ALA 36 HB1 ALA 36 -22.596 -1.101 -27.968 291 HB2 ALA 36 HB2 ALA 36 -22.941 -2.418 -26.845 292 HB3 ALA 36 HB3 ALA 36 -21.279 -1.881 -27.091 293 H ASP 37 H ASP 37 -21.938 -5.311 -27.582 294 HA ASP 37 HA ASP 37 -19.236 -5.475 -26.928 295 HB2 ASP 37 HB2 ASP 37 -21.158 -6.960 -26.134 296 HB3 ASP 37 HB3 ASP 37 -20.931 -7.869 -27.625 297 H HIS 38 H HIS 38 -20.872 -6.079 -29.935 298 HA HIS 38 HA HIS 38 -18.786 -7.578 -31.170 299 HB2 HIS 38 HB2 HIS 38 -21.077 -7.706 -31.997 300 HB3 HIS 38 HB3 HIS 38 -21.055 -5.989 -32.387 301 HD1 HIS 38 HD1 HIS 38 -20.139 -9.300 -33.709 302 HD2 HIS 38 HD2 HIS 38 -19.379 -5.318 -34.622 303 HE1 HIS 38 HE1 HIS 38 -19.208 -9.311 -36.045 304 H ALA 39 H ALA 39 -19.537 -4.169 -30.881 305 HA ALA 39 HA ALA 39 -17.495 -3.386 -32.780 306 HB1 ALA 39 HB1 ALA 39 -19.805 -2.207 -31.975 307 HB2 ALA 39 HB2 ALA 39 -18.613 -1.316 -31.027 308 HB3 ALA 39 HB3 ALA 39 -18.480 -1.369 -32.785 309 H ALA 40 H ALA 40 -17.784 -3.905 -29.379 310 HA ALA 40 HA ALA 40 -15.835 -2.255 -28.321 311 HB1 ALA 40 HB1 ALA 40 -16.239 -5.104 -27.443 312 HB2 ALA 40 HB2 ALA 40 -15.736 -3.722 -26.469 313 HB3 ALA 40 HB3 ALA 40 -17.388 -3.815 -27.081 314 H ILE 41 H ILE 41 -15.480 -5.124 -30.264 315 HA ILE 41 HA ILE 41 -12.884 -5.891 -29.696 316 HB ILE 41 HB ILE 41 -12.776 -6.865 -31.899 317 HG12 ILE 41 HG12 ILE 41 -15.204 -5.177 -32.542 318 HG13 ILE 41 HG13 ILE 41 -13.583 -4.937 -33.186 319 HG21 ILE 41 HG21 ILE 41 -14.474 -8.380 -31.642 320 HG22 ILE 41 HG22 ILE 41 -14.487 -7.618 -30.052 321 HG23 ILE 41 HG23 ILE 41 -15.671 -7.141 -31.268 322 HD11 ILE 41 HD11 ILE 41 -14.189 -6.209 -34.892 323 HD12 ILE 41 HD12 ILE 41 -14.194 -7.579 -33.781 324 HD13 ILE 41 HD13 ILE 41 -15.683 -6.686 -34.088 325 H GLU 42 H GLU 42 -14.037 -3.136 -31.496 326 HA GLU 42 HA GLU 42 -11.796 -2.445 -32.967 327 HB2 GLU 42 HB2 GLU 42 -12.675 -0.246 -33.080 328 HB3 GLU 42 HB3 GLU 42 -14.063 -1.320 -32.981 329 HG2 GLU 42 HG2 GLU 42 -14.676 0.291 -31.492 330 HG3 GLU 42 HG3 GLU 42 -13.864 -0.844 -30.416 331 H ALA 43 H ALA 43 -12.396 -2.133 -29.543 332 HA ALA 43 HA ALA 43 -10.093 -0.446 -29.085 333 HB1 ALA 43 HB1 ALA 43 -11.299 0.072 -27.296 334 HB2 ALA 43 HB2 ALA 43 -12.401 -1.275 -27.588 335 HB3 ALA 43 HB3 ALA 43 -10.933 -1.524 -26.643 336 H LEU 44 H LEU 44 -10.959 -3.844 -28.688 337 HA LEU 44 HA LEU 44 -8.729 -4.700 -27.247 338 HB2 LEU 44 HB2 LEU 44 -10.387 -6.152 -29.300 339 HB3 LEU 44 HB3 LEU 44 -9.194 -6.930 -28.262 340 HG LEU 44 HG LEU 44 -11.529 -5.417 -27.126 341 HD11 LEU 44 HD11 LEU 44 -12.971 -7.072 -27.523 342 HD12 LEU 44 HD12 LEU 44 -11.778 -8.318 -27.162 343 HD13 LEU 44 HD13 LEU 44 -11.838 -7.596 -28.769 344 HD21 LEU 44 HD21 LEU 44 -9.307 -6.402 -25.935 345 HD22 LEU 44 HD22 LEU 44 -10.392 -7.787 -25.807 346 HD23 LEU 44 HD23 LEU 44 -10.869 -6.227 -25.135 347 H ASP 45 H ASP 45 -9.211 -4.375 -30.739 348 HA ASP 45 HA ASP 45 -6.886 -5.542 -31.668 349 HB2 ASP 45 HB2 ASP 45 -8.647 -4.767 -33.166 350 HB3 ASP 45 HB3 ASP 45 -8.302 -3.093 -32.739 351 H ARG 46 H ARG 46 -7.375 -2.152 -30.701 352 HA ARG 46 HA ARG 46 -4.846 -1.173 -31.225 353 HB2 ARG 46 HB2 ARG 46 -6.973 -0.459 -29.254 354 HB3 ARG 46 HB3 ARG 46 -5.394 0.298 -29.097 355 HG2 ARG 46 HG2 ARG 46 -5.606 1.473 -31.052 356 HG3 ARG 46 HG3 ARG 46 -6.736 0.312 -31.753 357 HD2 ARG 46 HD2 ARG 46 -7.861 2.402 -31.196 358 HD3 ARG 46 HD3 ARG 46 -8.475 1.072 -30.215 359 HE ARG 46 HE ARG 46 -6.372 2.507 -28.916 360 HH11 ARG 46 HH11 ARG 46 -9.782 2.524 -29.621 361 HH12 ARG 46 HH12 ARG 46 -10.195 3.487 -28.241 362 HH21 ARG 46 HH21 ARG 46 -6.903 3.775 -27.096 363 HH22 ARG 46 HH22 ARG 46 -8.557 4.199 -26.806 364 H LEU 47 H LEU 47 -6.020 -2.674 -28.221 365 HA LEU 47 HA LEU 47 -3.704 -2.462 -26.711 366 HB2 LEU 47 HB2 LEU 47 -5.557 -4.832 -26.662 367 HB3 LEU 47 HB3 LEU 47 -4.565 -4.213 -25.343 368 HG LEU 47 HG LEU 47 -7.022 -2.918 -26.520 369 HD11 LEU 47 HD11 LEU 47 -8.146 -4.023 -24.966 370 HD12 LEU 47 HD12 LEU 47 -7.118 -3.335 -23.710 371 HD13 LEU 47 HD13 LEU 47 -6.666 -4.852 -24.486 372 HD21 LEU 47 HD21 LEU 47 -5.058 -1.945 -24.458 373 HD22 LEU 47 HD22 LEU 47 -6.691 -1.298 -24.618 374 HD23 LEU 47 HD23 LEU 47 -5.548 -1.150 -25.954 375 H LEU 48 H LEU 48 -4.742 -5.300 -28.612 376 HA LEU 48 HA LEU 48 -2.478 -6.848 -28.294 377 HB2 LEU 48 HB2 LEU 48 -4.118 -6.648 -30.814 378 HB3 LEU 48 HB3 LEU 48 -3.129 -8.014 -30.301 379 HG LEU 48 HG LEU 48 -5.562 -7.062 -28.798 380 HD11 LEU 48 HD11 LEU 48 -6.730 -7.866 -30.528 381 HD12 LEU 48 HD12 LEU 48 -6.241 -9.450 -29.928 382 HD13 LEU 48 HD13 LEU 48 -5.327 -8.678 -31.224 383 HD21 LEU 48 HD21 LEU 48 -5.367 -9.524 -28.023 384 HD22 LEU 48 HD22 LEU 48 -4.293 -8.315 -27.319 385 HD23 LEU 48 HD23 LEU 48 -3.699 -9.394 -28.582 386 H LEU 49 H LEU 49 -3.127 -4.397 -30.779 387 HA LEU 49 HA LEU 49 -0.802 -4.709 -32.278 388 HB2 LEU 49 HB2 LEU 49 -2.605 -3.368 -33.094 389 HB3 LEU 49 HB3 LEU 49 -2.473 -2.266 -31.725 390 HG LEU 49 HG LEU 49 -0.147 -1.704 -32.638 391 HD11 LEU 49 HD11 LEU 49 -0.213 -1.983 -35.223 392 HD12 LEU 49 HD12 LEU 49 -1.285 -3.336 -34.865 393 HD13 LEU 49 HD13 LEU 49 0.352 -3.313 -34.211 394 HD21 LEU 49 HD21 LEU 49 -2.558 -0.535 -32.946 395 HD22 LEU 49 HD22 LEU 49 -2.117 -0.798 -34.634 396 HD23 LEU 49 HD23 LEU 49 -1.053 0.134 -33.578 397 H ASP 50 H ASP 50 -1.422 -2.522 -29.541 398 HA ASP 50 HA ASP 50 1.081 -1.304 -29.443 399 HB2 ASP 50 HB2 ASP 50 -1.034 -1.833 -27.380 400 HB3 ASP 50 HB3 ASP 50 0.499 -1.103 -26.910 401 H VAL 51 H VAL 51 -0.059 -4.006 -27.407 402 HA VAL 51 HA VAL 51 2.398 -4.587 -26.223 403 HB VAL 51 HB VAL 51 1.478 -6.781 -25.676 404 HG11 VAL 51 HG11 VAL 51 0.404 -5.683 -24.074 405 HG12 VAL 51 HG12 VAL 51 0.238 -4.266 -25.112 406 HG13 VAL 51 HG13 VAL 51 -0.989 -5.532 -25.145 407 HG21 VAL 51 HG21 VAL 51 -0.796 -6.055 -27.521 408 HG22 VAL 51 HG22 VAL 51 0.450 -7.256 -27.860 409 HG23 VAL 51 HG23 VAL 51 -0.678 -7.508 -26.528 410 H ARG 52 H ARG 52 1.166 -5.374 -29.369 411 HA ARG 52 HA ARG 52 3.025 -7.486 -29.909 412 HB2 ARG 52 HB2 ARG 52 0.907 -7.413 -31.091 413 HB3 ARG 52 HB3 ARG 52 1.292 -5.828 -31.748 414 HG2 ARG 52 HG2 ARG 52 1.617 -7.495 -33.442 415 HG3 ARG 52 HG3 ARG 52 3.184 -6.834 -32.973 416 HD2 ARG 52 HD2 ARG 52 3.684 -8.761 -31.657 417 HD3 ARG 52 HD3 ARG 52 2.043 -9.379 -31.839 418 HE ARG 52 HE ARG 52 4.206 -9.701 -33.667 419 HH11 ARG 52 HH11 ARG 52 0.746 -9.380 -33.451 420 HH12 ARG 52 HH12 ARG 52 0.444 -10.232 -34.929 421 HH21 ARG 52 HH21 ARG 52 3.821 -10.825 -35.615 422 HH22 ARG 52 HH22 ARG 52 2.193 -11.054 -36.158 423 H ALA 53 H ALA 53 2.924 -4.016 -30.438 424 HA ALA 53 HA ALA 53 5.476 -4.105 -31.868 425 HB1 ALA 53 HB1 ALA 53 4.006 -1.569 -31.303 426 HB2 ALA 53 HB2 ALA 53 5.015 -2.002 -32.684 427 HB3 ALA 53 HB3 ALA 53 3.394 -2.679 -32.530 428 H ARG 54 H ARG 54 5.129 -4.633 -28.940 429 HA ARG 54 HA ARG 54 6.119 -4.123 -26.953 430 HB2 ARG 54 HB2 ARG 54 8.134 -3.149 -28.961 431 HB3 ARG 54 HB3 ARG 54 8.436 -3.021 -27.234 432 HG2 ARG 54 HG2 ARG 54 8.498 -5.335 -26.951 433 HG3 ARG 54 HG3 ARG 54 7.689 -5.635 -28.490 434 HD2 ARG 54 HD2 ARG 54 10.406 -4.359 -28.292 435 HD3 ARG 54 HD3 ARG 54 10.176 -6.103 -28.415 436 HE ARG 54 HE ARG 54 8.764 -4.838 -30.488 437 HH11 ARG 54 HH11 ARG 54 12.029 -5.491 -29.469 438 HH12 ARG 54 HH12 ARG 54 12.669 -5.496 -31.079 439 HH21 ARG 54 HH21 ARG 54 9.595 -4.843 -32.612 440 HH22 ARG 54 HH22 ARG 54 11.284 -5.127 -32.866 441 H ARG 55 H ARG 55 4.115 -2.429 -27.339 442 HA ARG 55 HA ARG 55 5.187 0.253 -26.770 443 HB2 ARG 55 HB2 ARG 55 2.653 -0.703 -28.042 444 HB3 ARG 55 HB3 ARG 55 2.665 0.848 -27.212 445 HG2 ARG 55 HG2 ARG 55 4.618 1.487 -28.659 446 HG3 ARG 55 HG3 ARG 55 4.309 0.018 -29.586 447 HD2 ARG 55 HD2 ARG 55 1.906 0.900 -29.794 448 HD3 ARG 55 HD3 ARG 55 2.573 2.445 -29.269 449 HE ARG 55 HE ARG 55 2.911 1.188 -31.836 450 HH11 ARG 55 HH11 ARG 55 4.210 3.487 -29.566 451 HH12 ARG 55 HH12 ARG 55 5.072 4.386 -30.771 452 HH21 ARG 55 HH21 ARG 55 4.042 2.364 -33.431 453 HH22 ARG 55 HH22 ARG 55 4.975 3.747 -32.969 454 H VAL 56 H VAL 56 4.891 -2.031 -24.890 455 HA VAL 56 HA VAL 56 2.780 -1.105 -23.097 456 HB VAL 56 HB VAL 56 4.666 -3.431 -22.713 457 HG11 VAL 56 HG11 VAL 56 2.496 -2.252 -21.140 458 HG12 VAL 56 HG12 VAL 56 2.365 -3.998 -21.365 459 HG13 VAL 56 HG13 VAL 56 3.818 -3.307 -20.640 460 HG21 VAL 56 HG21 VAL 56 3.555 -4.311 -24.459 461 HG22 VAL 56 HG22 VAL 56 2.259 -4.544 -23.286 462 HG23 VAL 56 HG23 VAL 56 2.244 -3.136 -24.348 463 H ASP 57 H ASP 57 3.160 -0.400 -20.989 464 HA ASP 57 HA ASP 57 5.855 -0.086 -20.009 465 HB2 ASP 57 HB2 ASP 57 5.335 2.472 -19.688 466 HB3 ASP 57 HB3 ASP 57 6.018 1.886 -21.203 467 H GLN 58 H GLN 58 5.677 1.458 -17.936 468 HA GLN 58 HA GLN 58 3.570 0.247 -16.317 469 HB2 GLN 58 HB2 GLN 58 4.892 0.760 -14.416 470 HB3 GLN 58 HB3 GLN 58 6.007 0.171 -15.642 471 HG2 GLN 58 HG2 GLN 58 6.390 2.633 -16.213 472 HG3 GLN 58 HG3 GLN 58 5.597 2.976 -14.677 473 HE21 GLN 58 HE21 GLN 58 6.650 2.552 -12.778 474 HE22 GLN 58 HE22 GLN 58 8.315 2.098 -12.700 475 H PHE 59 H PHE 59 2.048 1.393 -15.197 476 HA PHE 59 HA PHE 59 2.115 4.256 -15.020 477 HB2 PHE 59 HB2 PHE 59 0.485 2.896 -17.104 478 HB3 PHE 59 HB3 PHE 59 -0.268 4.230 -16.236 479 HD1 PHE 59 HD1 PHE 59 1.150 6.417 -16.088 480 HD2 PHE 59 HD2 PHE 59 1.758 3.342 -18.969 481 HE1 PHE 59 HE1 PHE 59 2.300 8.023 -17.555 482 HE2 PHE 59 HE2 PHE 59 2.910 4.943 -20.439 483 HZ PHE 59 HZ PHE 59 3.183 7.287 -19.733 484 H GLN 60 H GLN 60 -0.238 5.001 -14.272 485 HA GLN 60 HA GLN 60 -1.599 3.011 -12.674 486 HB2 GLN 60 HB2 GLN 60 -1.307 4.359 -10.570 487 HB3 GLN 60 HB3 GLN 60 0.139 3.526 -11.125 488 HG2 GLN 60 HG2 GLN 60 1.075 5.544 -11.966 489 HG3 GLN 60 HG3 GLN 60 -0.435 6.417 -11.711 490 HE21 GLN 60 HE21 GLN 60 -1.209 6.030 -9.288 491 HE22 GLN 60 HE22 GLN 60 -0.007 6.429 -8.113 492 H ILE 61 H ILE 61 -3.693 3.535 -12.299 493 HA ILE 61 HA ILE 61 -4.694 5.932 -13.586 494 HB ILE 61 HB ILE 61 -6.229 3.730 -12.200 495 HG12 ILE 61 HG12 ILE 61 -5.785 4.124 -15.163 496 HG13 ILE 61 HG13 ILE 61 -4.831 3.020 -14.177 497 HG21 ILE 61 HG21 ILE 61 -7.002 6.235 -13.504 498 HG22 ILE 61 HG22 ILE 61 -7.886 4.818 -14.068 499 HG23 ILE 61 HG23 ILE 61 -7.886 5.232 -12.354 500 HD11 ILE 61 HD11 ILE 61 -6.356 1.537 -14.901 501 HD12 ILE 61 HD12 ILE 61 -7.294 2.174 -13.550 502 HD13 ILE 61 HD13 ILE 61 -7.584 2.771 -15.184 503 H ASN 62 H ASN 62 -5.069 4.422 -10.374 504 HA ASN 62 HA ASN 62 -5.218 7.107 -9.207 505 HB2 ASN 62 HB2 ASN 62 -7.183 4.867 -8.687 506 HB3 ASN 62 HB3 ASN 62 -7.075 6.334 -7.720 507 HD21 ASN 62 HD21 ASN 62 -8.985 5.000 -9.814 508 HD22 ASN 62 HD22 ASN 62 -9.490 6.355 -10.759 509 H ALA 63 H ALA 63 -4.664 7.204 -6.968 510 HA ALA 63 HA ALA 63 -2.529 5.505 -6.244 511 HB1 ALA 63 HB1 ALA 63 -3.533 7.955 -5.384 512 HB2 ALA 63 HB2 ALA 63 -3.654 6.894 -3.979 513 HB3 ALA 63 HB3 ALA 63 -2.100 7.122 -4.780 514 H SER 64 H SER 64 -5.943 5.501 -5.466 515 HA SER 64 HA SER 64 -5.681 3.513 -3.394 516 HB2 SER 64 HB2 SER 64 -7.506 5.343 -3.609 517 HB3 SER 64 HB3 SER 64 -8.268 4.235 -4.749 518 HG SER 64 HG SER 64 -7.654 3.759 -2.023 519 H ALA 65 H ALA 65 -6.268 3.579 -6.816 520 HA ALA 65 HA ALA 65 -7.418 1.015 -7.106 521 HB1 ALA 65 HB1 ALA 65 -5.782 2.585 -9.096 522 HB2 ALA 65 HB2 ALA 65 -6.836 1.219 -9.462 523 HB3 ALA 65 HB3 ALA 65 -7.524 2.725 -8.855 524 H ALA 66 H ALA 66 -6.360 -0.839 -8.191 525 HA ALA 66 HA ALA 66 -4.183 -1.791 -6.717 526 HB1 ALA 66 HB1 ALA 66 -4.409 -3.741 -7.891 527 HB2 ALA 66 HB2 ALA 66 -5.988 -3.014 -8.191 528 HB3 ALA 66 HB3 ALA 66 -4.725 -2.917 -9.418 529 H GLN 67 H GLN 67 -2.018 -1.813 -7.032 530 HA GLN 67 HA GLN 67 -0.988 -0.136 -9.198 531 HB2 GLN 67 HB2 GLN 67 -0.353 0.376 -6.843 532 HB3 GLN 67 HB3 GLN 67 0.455 -1.184 -6.759 533 HG2 GLN 67 HG2 GLN 67 2.001 0.682 -7.164 534 HG3 GLN 67 HG3 GLN 67 2.025 -0.523 -8.450 535 HE21 GLN 67 HE21 GLN 67 1.436 2.739 -7.619 536 HE22 GLN 67 HE22 GLN 67 1.031 3.308 -9.199 537 H ILE 68 H ILE 68 0.045 -0.971 -10.888 538 HA ILE 68 HA ILE 68 1.320 -3.597 -10.643 539 HB ILE 68 HB ILE 68 -0.503 -2.886 -12.942 540 HG12 ILE 68 HG12 ILE 68 -1.669 -5.034 -11.812 541 HG13 ILE 68 HG13 ILE 68 -0.977 -4.295 -10.373 542 HG21 ILE 68 HG21 ILE 68 0.969 -4.361 -13.875 543 HG22 ILE 68 HG22 ILE 68 1.316 -5.157 -12.341 544 HG23 ILE 68 HG23 ILE 68 -0.193 -5.496 -13.189 545 HD11 ILE 68 HD11 ILE 68 -2.465 -2.508 -12.188 546 HD12 ILE 68 HD12 ILE 68 -3.403 -3.703 -11.293 547 HD13 ILE 68 HD13 ILE 68 -2.396 -2.544 -10.427 548 H ILE 69 H ILE 69 3.384 -3.002 -10.963 549 HA ILE 69 HA ILE 69 4.046 -1.072 -13.045 550 HB ILE 69 HB ILE 69 5.840 -2.468 -11.056 551 HG12 ILE 69 HG12 ILE 69 5.903 0.081 -10.284 552 HG13 ILE 69 HG13 ILE 69 4.304 0.088 -11.020 553 HG21 ILE 69 HG21 ILE 69 6.400 -0.205 -12.968 554 HG22 ILE 69 HG22 ILE 69 7.499 -0.767 -11.710 555 HG23 ILE 69 HG23 ILE 69 7.066 -1.836 -13.044 556 HD11 ILE 69 HD11 ILE 69 5.080 -1.975 -8.995 557 HD12 ILE 69 HD12 ILE 69 4.473 -0.388 -8.523 558 HD13 ILE 69 HD13 ILE 69 3.469 -1.462 -9.497 559 H VAL 70 H VAL 70 5.288 -1.517 -14.839 560 HA VAL 70 HA VAL 70 5.370 -4.329 -15.627 561 HB VAL 70 HB VAL 70 5.866 -1.839 -17.267 562 HG11 VAL 70 HG11 VAL 70 6.491 -4.567 -17.780 563 HG12 VAL 70 HG12 VAL 70 5.182 -4.079 -18.858 564 HG13 VAL 70 HG13 VAL 70 6.693 -3.170 -18.837 565 HG21 VAL 70 HG21 VAL 70 3.634 -2.805 -18.305 566 HG22 VAL 70 HG22 VAL 70 3.444 -3.463 -16.680 567 HG23 VAL 70 HG23 VAL 70 3.610 -1.723 -16.912 568 H THR 71 H THR 71 7.163 -5.403 -15.133 569 HA THR 71 HA THR 71 9.747 -4.000 -15.321 570 HB THR 71 HB THR 71 9.478 -4.742 -13.083 571 HG1 THR 71 HG1 THR 71 11.258 -6.037 -12.919 572 HG21 THR 71 HG21 THR 71 8.350 -7.187 -14.359 573 HG22 THR 71 HG22 THR 71 7.771 -6.271 -12.968 574 HG23 THR 71 HG23 THR 71 9.155 -7.350 -12.799 575 H ASP 72 H ASP 72 9.615 -4.452 -17.659 576 HA ASP 72 HA ASP 72 9.521 -6.970 -18.811 577 HB2 ASP 72 HB2 ASP 72 10.716 -5.984 -20.715 578 HB3 ASP 72 HB3 ASP 72 9.470 -4.892 -20.114 Start of MODEL 15 1 H1 MET 1 H MET 1 -1.592 -0.525 -4.217 2 HA MET 1 HA MET 1 0.996 0.528 -3.308 3 HB2 MET 1 HB2 MET 1 -0.721 0.673 -1.490 4 HB3 MET 1 HB3 MET 1 -0.882 -1.076 -1.568 5 HG2 MET 1 HG2 MET 1 0.578 -0.825 0.177 6 HG3 MET 1 HG3 MET 1 1.683 -1.066 -1.174 7 HE1 MET 1 HE1 MET 1 2.724 1.616 1.762 8 HE2 MET 1 HE2 MET 1 2.124 -0.039 1.649 9 HE3 MET 1 HE3 MET 1 3.640 0.406 0.864 10 H ASP 2 H ASP 2 -1.039 -2.358 -3.676 11 HA ASP 2 HA ASP 2 1.014 -4.258 -3.418 12 HB2 ASP 2 HB2 ASP 2 -1.559 -4.581 -3.432 13 HB3 ASP 2 HB3 ASP 2 -1.382 -4.687 -5.181 14 H ARG 3 H ARG 3 2.825 -3.786 -4.604 15 HA ARG 3 HA ARG 3 2.819 -2.981 -7.308 16 HB2 ARG 3 HB2 ARG 3 4.758 -2.530 -5.991 17 HB3 ARG 3 HB3 ARG 3 4.946 -4.227 -5.570 18 HG2 ARG 3 HG2 ARG 3 5.951 -4.749 -7.532 19 HG3 ARG 3 HG3 ARG 3 5.043 -3.541 -8.445 20 HD2 ARG 3 HD2 ARG 3 6.475 -1.821 -7.837 21 HD3 ARG 3 HD3 ARG 3 7.075 -2.687 -6.424 22 HE ARG 3 HE ARG 3 7.753 -4.012 -8.855 23 HH11 ARG 3 HH11 ARG 3 8.640 -1.379 -6.758 24 HH12 ARG 3 HH12 ARG 3 10.300 -1.371 -7.254 25 HH21 ARG 3 HH21 ARG 3 9.936 -4.012 -9.517 26 HH22 ARG 3 HH22 ARG 3 11.036 -2.868 -8.825 27 H ILE 4 H ILE 4 2.845 -4.097 -9.183 28 HA ILE 4 HA ILE 4 3.057 -7.024 -9.068 29 HB ILE 4 HB ILE 4 0.905 -5.504 -10.544 30 HG12 ILE 4 HG12 ILE 4 0.754 -7.478 -8.255 31 HG13 ILE 4 HG13 ILE 4 0.463 -5.745 -8.145 32 HG21 ILE 4 HG21 ILE 4 1.697 -7.359 -11.882 33 HG22 ILE 4 HG22 ILE 4 1.536 -8.451 -10.508 34 HG23 ILE 4 HG23 ILE 4 0.100 -7.728 -11.232 35 HD11 ILE 4 HD11 ILE 4 -1.241 -6.703 -10.156 36 HD12 ILE 4 HD12 ILE 4 -1.349 -7.844 -8.815 37 HD13 ILE 4 HD13 ILE 4 -1.673 -6.132 -8.544 38 H PHE 5 H PHE 5 4.837 -7.426 -10.215 39 HA PHE 5 HA PHE 5 5.543 -5.788 -12.501 40 HB2 PHE 5 HB2 PHE 5 7.620 -7.027 -12.528 41 HB3 PHE 5 HB3 PHE 5 7.260 -6.558 -10.870 42 HD1 PHE 5 HD2 PHE 5 6.559 -8.224 -9.231 43 HD2 PHE 5 HD1 PHE 5 7.627 -9.323 -13.202 44 HE1 PHE 5 HE2 PHE 5 6.767 -10.571 -8.522 45 HE2 PHE 5 HE1 PHE 5 7.836 -11.672 -12.499 46 HZ PHE 5 HZ PHE 5 7.407 -12.298 -10.156 47 H MET 6 H MET 6 5.217 -6.295 -14.576 48 HA MET 6 HA MET 6 4.593 -9.067 -15.291 49 HB2 MET 6 HB2 MET 6 2.769 -6.780 -15.405 50 HB3 MET 6 HB3 MET 6 2.907 -7.638 -16.933 51 HG2 MET 6 HG2 MET 6 1.667 -9.320 -16.200 52 HG3 MET 6 HG3 MET 6 2.618 -9.470 -14.724 53 HE1 MET 6 HE1 MET 6 0.138 -10.365 -14.002 54 HE2 MET 6 HE2 MET 6 1.036 -9.666 -12.654 55 HE3 MET 6 HE3 MET 6 -0.672 -9.279 -12.872 56 H THR 7 H THR 7 5.179 -9.667 -17.366 57 HA THR 7 HA THR 7 7.147 -7.950 -18.622 58 HB THR 7 HB THR 7 7.654 -9.860 -20.052 59 HG1 THR 7 HG1 THR 7 6.136 -11.281 -20.399 60 HG21 THR 7 HG21 THR 7 8.697 -9.811 -17.854 61 HG22 THR 7 HG22 THR 7 8.332 -11.474 -18.315 62 HG23 THR 7 HG23 THR 7 7.304 -10.635 -17.154 63 H ARG 8 H ARG 8 7.093 -8.317 -21.210 64 HA ARG 8 HA ARG 8 5.193 -6.603 -22.221 65 HB2 ARG 8 HB2 ARG 8 6.679 -8.816 -23.645 66 HB3 ARG 8 HB3 ARG 8 5.774 -7.548 -24.460 67 HG2 ARG 8 HG2 ARG 8 7.254 -5.863 -23.591 68 HG3 ARG 8 HG3 ARG 8 8.104 -7.064 -22.617 69 HD2 ARG 8 HD2 ARG 8 8.709 -8.237 -24.739 70 HD3 ARG 8 HD3 ARG 8 8.014 -6.879 -25.623 71 HE ARG 8 HE ARG 8 9.894 -5.891 -23.797 72 HH11 ARG 8 HH11 ARG 8 9.752 -7.790 -26.711 73 HH12 ARG 8 HH12 ARG 8 11.329 -7.317 -27.251 74 HH21 ARG 8 HH21 ARG 8 11.972 -5.262 -24.497 75 HH22 ARG 8 HH22 ARG 8 12.592 -5.880 -25.990 76 H THR 9 H THR 9 5.165 -10.160 -22.456 77 HA THR 9 HA THR 9 2.576 -10.278 -23.624 78 HB THR 9 HB THR 9 4.119 -12.443 -22.180 79 HG1 THR 9 HG1 THR 9 3.852 -12.025 -24.982 80 HG21 THR 9 HG21 THR 9 1.733 -12.594 -24.025 81 HG22 THR 9 HG22 THR 9 1.773 -13.018 -22.314 82 HG23 THR 9 HG23 THR 9 2.676 -13.982 -23.483 83 H GLU 10 H GLU 10 3.782 -10.724 -20.318 84 HA GLU 10 HA GLU 10 1.354 -11.481 -19.140 85 HB2 GLU 10 HB2 GLU 10 3.919 -11.197 -18.258 86 HB3 GLU 10 HB3 GLU 10 3.136 -9.831 -17.475 87 HG2 GLU 10 HG2 GLU 10 2.969 -11.548 -15.922 88 HG3 GLU 10 HG3 GLU 10 1.383 -11.512 -16.691 89 H ALA 11 H ALA 11 2.414 -8.461 -20.340 90 HA ALA 11 HA ALA 11 1.169 -6.584 -18.771 91 HB1 ALA 11 HB1 ALA 11 1.253 -5.119 -20.596 92 HB2 ALA 11 HB2 ALA 11 2.578 -6.250 -20.875 93 HB3 ALA 11 HB3 ALA 11 1.066 -6.426 -21.766 94 H LEU 12 H LEU 12 -0.281 -8.882 -20.954 95 HA LEU 12 HA LEU 12 -2.756 -7.786 -21.444 96 HB2 LEU 12 HB2 LEU 12 -3.594 -10.054 -21.657 97 HB3 LEU 12 HB3 LEU 12 -2.002 -9.896 -22.397 98 HG LEU 12 HG LEU 12 -1.283 -10.804 -19.971 99 HD11 LEU 12 HD11 LEU 12 -3.957 -10.979 -19.701 100 HD12 LEU 12 HD12 LEU 12 -2.815 -12.050 -18.891 101 HD13 LEU 12 HD13 LEU 12 -3.604 -12.568 -20.380 102 HD21 LEU 12 HD21 LEU 12 -0.413 -12.326 -21.327 103 HD22 LEU 12 HD22 LEU 12 -1.512 -11.821 -22.611 104 HD23 LEU 12 HD23 LEU 12 -1.991 -13.096 -21.489 105 H GLU 13 H GLU 13 -1.672 -9.520 -18.555 106 HA GLU 13 HA GLU 13 -4.163 -9.564 -17.236 107 HB2 GLU 13 HB2 GLU 13 -2.213 -10.970 -16.610 108 HB3 GLU 13 HB3 GLU 13 -1.404 -9.533 -16.001 109 HG2 GLU 13 HG2 GLU 13 -2.864 -9.317 -14.207 110 HG3 GLU 13 HG3 GLU 13 -4.089 -10.337 -14.958 111 H PHE 14 H PHE 14 -1.594 -7.177 -17.387 112 HA PHE 14 HA PHE 14 -2.534 -5.522 -15.290 113 HB2 PHE 14 HB2 PHE 14 -0.276 -5.230 -15.964 114 HB3 PHE 14 HB3 PHE 14 -0.729 -5.014 -17.651 115 HD1 PHE 14 HD2 PHE 14 -2.207 -3.423 -14.642 116 HD2 PHE 14 HD1 PHE 14 0.110 -2.911 -18.176 117 HE1 PHE 14 HE2 PHE 14 -2.252 -0.985 -14.314 118 HE2 PHE 14 HE1 PHE 14 0.070 -0.472 -17.853 119 HZ PHE 14 HZ PHE 14 -1.113 0.494 -15.920 120 H LEU 15 H LEU 15 -2.744 -5.095 -18.827 121 HA LEU 15 HA LEU 15 -4.440 -2.879 -18.789 122 HB2 LEU 15 HB2 LEU 15 -5.046 -3.594 -21.116 123 HB3 LEU 15 HB3 LEU 15 -3.323 -3.403 -20.800 124 HG LEU 15 HG LEU 15 -3.494 -6.017 -20.369 125 HD11 LEU 15 HD11 LEU 15 -5.226 -7.111 -21.294 126 HD12 LEU 15 HD12 LEU 15 -5.376 -5.966 -22.627 127 HD13 LEU 15 HD13 LEU 15 -6.070 -5.582 -21.052 128 HD21 LEU 15 HD21 LEU 15 -3.052 -6.263 -22.892 129 HD22 LEU 15 HD22 LEU 15 -1.963 -5.249 -21.945 130 HD23 LEU 15 HD23 LEU 15 -3.215 -4.508 -22.943 131 H LEU 16 H LEU 16 -5.152 -6.321 -18.677 132 HA LEU 16 HA LEU 16 -7.983 -5.992 -18.968 133 HB2 LEU 16 HB2 LEU 16 -6.906 -8.057 -19.632 134 HB3 LEU 16 HB3 LEU 16 -6.333 -8.316 -17.986 135 HG LEU 16 HG LEU 16 -8.698 -8.555 -17.259 136 HD11 LEU 16 HD11 LEU 16 -9.544 -7.249 -19.296 137 HD12 LEU 16 HD12 LEU 16 -10.477 -8.647 -18.763 138 HD13 LEU 16 HD13 LEU 16 -9.412 -8.780 -20.162 139 HD21 LEU 16 HD21 LEU 16 -8.627 -10.770 -17.646 140 HD22 LEU 16 HD22 LEU 16 -7.049 -10.402 -18.342 141 HD23 LEU 16 HD23 LEU 16 -8.458 -10.569 -19.390 142 H LYS 17 H LYS 17 -5.730 -6.065 -16.312 143 HA LYS 17 HA LYS 17 -7.622 -6.518 -14.242 144 HB2 LYS 17 HB2 LYS 17 -5.324 -6.954 -13.772 145 HB3 LYS 17 HB3 LYS 17 -4.849 -5.330 -14.253 146 HG2 LYS 17 HG2 LYS 17 -5.753 -4.371 -12.314 147 HG3 LYS 17 HG3 LYS 17 -6.679 -5.823 -11.928 148 HD2 LYS 17 HD2 LYS 17 -3.672 -5.805 -12.016 149 HD3 LYS 17 HD3 LYS 17 -4.577 -5.398 -10.556 150 HE2 LYS 17 HE2 LYS 17 -5.012 -7.960 -12.070 151 HE3 LYS 17 HE3 LYS 17 -3.803 -7.808 -10.796 152 HZ1 LYS 17 HZ1 LYS 17 -6.281 -6.789 -9.903 153 HZ2 LYS 17 HZ2 LYS 17 -5.370 -8.067 -9.273 154 HZ3 LYS 17 HZ3 LYS 17 -6.499 -8.358 -10.498 155 H ALA 18 H ALA 18 -5.974 -3.544 -15.319 156 HA ALA 18 HA ALA 18 -7.319 -1.756 -13.666 157 HB1 ALA 18 HB1 ALA 18 -6.263 -1.251 -16.446 158 HB2 ALA 18 HB2 ALA 18 -6.639 -0.021 -15.238 159 HB3 ALA 18 HB3 ALA 18 -5.326 -1.164 -14.954 160 H HIS 19 H HIS 19 -8.164 -2.902 -16.915 161 HA HIS 19 HA HIS 19 -10.399 -1.276 -17.334 162 HB2 HIS 19 HB2 HIS 19 -9.219 -2.780 -19.016 163 HB3 HIS 19 HB3 HIS 19 -10.144 -4.113 -18.331 164 HD1 HIS 19 HD1 HIS 19 -10.892 -0.684 -19.815 165 HD2 HIS 19 HD2 HIS 19 -12.469 -4.523 -19.636 166 HE1 HIS 19 HE1 HIS 19 -12.951 -0.633 -21.259 167 H GLN 20 H GLN 20 -10.121 -4.457 -15.802 168 HA GLN 20 HA GLN 20 -12.876 -4.874 -15.392 169 HB2 GLN 20 HB2 GLN 20 -10.379 -5.990 -14.173 170 HB3 GLN 20 HB3 GLN 20 -11.938 -6.366 -13.451 171 HG2 GLN 20 HG2 GLN 20 -11.484 -6.782 -16.375 172 HG3 GLN 20 HG3 GLN 20 -10.927 -7.971 -15.199 173 HE21 GLN 20 HE21 GLN 20 -12.316 -9.462 -14.551 174 HE22 GLN 20 HE22 GLN 20 -14.026 -9.421 -14.793 175 H THR 21 H THR 21 -10.503 -3.008 -13.673 176 HA THR 21 HA THR 21 -12.154 -2.686 -11.318 177 HB THR 21 HB THR 21 -9.719 -1.038 -11.960 178 HG1 THR 21 HG1 THR 21 -9.867 -3.717 -11.022 179 HG21 THR 21 HG21 THR 21 -9.746 -1.772 -9.284 180 HG22 THR 21 HG22 THR 21 -11.441 -1.465 -9.662 181 HG23 THR 21 HG23 THR 21 -10.233 -0.213 -9.946 182 H ALA 22 H ALA 22 -11.322 -0.865 -14.205 183 HA ALA 22 HA ALA 22 -12.498 1.590 -13.373 184 HB1 ALA 22 HB1 ALA 22 -11.247 0.528 -15.787 185 HB2 ALA 22 HB2 ALA 22 -12.546 1.677 -16.109 186 HB3 ALA 22 HB3 ALA 22 -11.184 2.148 -15.094 187 H VAL 23 H VAL 23 -13.607 -0.998 -15.556 188 HA VAL 23 HA VAL 23 -16.091 0.077 -16.205 189 HB VAL 23 HB VAL 23 -15.433 -2.854 -15.879 190 HG11 VAL 23 HG11 VAL 23 -17.521 -1.519 -17.596 191 HG12 VAL 23 HG12 VAL 23 -17.237 -3.253 -17.431 192 HG13 VAL 23 HG13 VAL 23 -17.843 -2.323 -16.060 193 HG21 VAL 23 HG21 VAL 23 -14.318 -0.955 -17.635 194 HG22 VAL 23 HG22 VAL 23 -14.126 -2.708 -17.670 195 HG23 VAL 23 HG23 VAL 23 -15.422 -1.944 -18.590 196 H ASP 24 H ASP 24 -15.058 -1.713 -13.371 197 HA ASP 24 HA ASP 24 -17.751 -1.972 -12.345 198 HB2 ASP 24 HB2 ASP 24 -16.198 -3.758 -11.860 199 HB3 ASP 24 HB3 ASP 24 -15.056 -2.625 -11.142 200 H LYS 25 H LYS 25 -15.023 0.161 -11.986 201 HA LYS 25 HA LYS 25 -15.710 1.389 -9.557 202 HB2 LYS 25 HB2 LYS 25 -13.523 1.720 -10.519 203 HB3 LYS 25 HB3 LYS 25 -14.218 2.457 -11.957 204 HG2 LYS 25 HG2 LYS 25 -14.646 4.444 -10.902 205 HG3 LYS 25 HG3 LYS 25 -14.753 3.699 -9.306 206 HD2 LYS 25 HD2 LYS 25 -12.736 4.980 -9.381 207 HD3 LYS 25 HD3 LYS 25 -12.291 3.273 -9.431 208 HE2 LYS 25 HE2 LYS 25 -10.990 4.602 -11.027 209 HE3 LYS 25 HE3 LYS 25 -11.991 3.401 -11.839 210 HZ1 LYS 25 HZ1 LYS 25 -11.889 5.953 -12.563 211 HZ2 LYS 25 HZ2 LYS 25 -13.189 6.023 -11.483 212 HZ3 LYS 25 HZ3 LYS 25 -13.248 4.976 -12.811 213 H ILE 26 H ILE 26 -16.822 1.911 -12.840 214 HA ILE 26 HA ILE 26 -18.204 4.352 -12.269 215 HB ILE 26 HB ILE 26 -18.595 2.454 -14.587 216 HG12 ILE 26 HG12 ILE 26 -16.922 4.970 -14.456 217 HG13 ILE 26 HG13 ILE 26 -16.265 3.343 -14.318 218 HG21 ILE 26 HG21 ILE 26 -19.526 5.256 -14.046 219 HG22 ILE 26 HG22 ILE 26 -19.394 4.618 -15.684 220 HG23 ILE 26 HG23 ILE 26 -20.476 3.849 -14.524 221 HD11 ILE 26 HD11 ILE 26 -15.933 4.060 -16.548 222 HD12 ILE 26 HD12 ILE 26 -17.233 2.869 -16.577 223 HD13 ILE 26 HD13 ILE 26 -17.609 4.588 -16.698 224 H GLY 27 H GLY 27 -18.926 0.988 -11.958 225 HA2 GLY 27 HA2 GLY 27 -20.698 0.093 -10.716 226 HA3 GLY 27 HA3 GLY 27 -21.499 1.656 -10.775 227 H HIS 28 H HIS 28 -20.260 0.108 -13.646 228 HA HIS 28 HA HIS 28 -22.583 0.366 -15.125 229 HB2 HIS 28 HB2 HIS 28 -20.119 -1.282 -15.378 230 HB3 HIS 28 HB3 HIS 28 -21.490 -1.720 -16.392 231 HD1 HIS 28 HD1 HIS 28 -20.815 1.870 -15.589 232 HD2 HIS 28 HD2 HIS 28 -20.219 -0.807 -18.710 233 HE1 HIS 28 HE1 HIS 28 -20.129 3.275 -17.559 234 HA PRO 29 HA PRO 29 -25.350 -2.801 -13.878 235 HB2 PRO 29 HB2 PRO 29 -26.472 -3.519 -16.244 236 HB3 PRO 29 HB3 PRO 29 -26.820 -1.983 -15.443 237 HG2 PRO 29 HG2 PRO 29 -24.942 -2.559 -17.701 238 HG3 PRO 29 HG3 PRO 29 -26.071 -1.206 -17.502 239 HD2 PRO 29 HD2 PRO 29 -23.420 -0.977 -17.000 240 HD3 PRO 29 HD3 PRO 29 -24.644 -0.057 -16.102 241 H SER 30 H SER 30 -26.160 -5.090 -14.808 242 HA SER 30 HA SER 30 -23.754 -6.644 -15.499 243 HB2 SER 30 HB2 SER 30 -24.477 -8.412 -13.995 244 HB3 SER 30 HB3 SER 30 -24.363 -6.898 -13.099 245 HG SER 30 HG SER 30 -26.488 -8.493 -13.436 246 H HIS 31 H HIS 31 -26.105 -5.577 -17.061 247 HA HIS 31 HA HIS 31 -27.841 -7.651 -17.781 248 HB2 HIS 31 HB2 HIS 31 -28.043 -5.193 -18.375 249 HB3 HIS 31 HB3 HIS 31 -26.863 -5.489 -19.648 250 HD1 HIS 31 HD1 HIS 31 -30.220 -6.935 -18.572 251 HD2 HIS 31 HD2 HIS 31 -28.025 -6.112 -22.003 252 HE1 HIS 31 HE1 HIS 31 -31.725 -7.537 -20.495 253 H LYS 32 H LYS 32 -27.892 -8.845 -19.827 254 HA LYS 32 HA LYS 32 -25.637 -10.436 -20.196 255 HB2 LYS 32 HB2 LYS 32 -28.022 -9.941 -21.977 256 HB3 LYS 32 HB3 LYS 32 -26.794 -11.146 -22.339 257 HG2 LYS 32 HG2 LYS 32 -28.372 -11.114 -19.780 258 HG3 LYS 32 HG3 LYS 32 -28.860 -12.012 -21.219 259 HD2 LYS 32 HD2 LYS 32 -26.095 -12.393 -20.185 260 HD3 LYS 32 HD3 LYS 32 -27.430 -13.138 -19.302 261 HE2 LYS 32 HE2 LYS 32 -28.092 -14.402 -21.192 262 HE3 LYS 32 HE3 LYS 32 -27.052 -13.470 -22.268 263 HZ1 LYS 32 HZ1 LYS 32 -25.139 -14.367 -20.950 264 HZ2 LYS 32 HZ2 LYS 32 -25.972 -15.512 -21.874 265 HZ3 LYS 32 HZ3 LYS 32 -26.226 -15.427 -20.203 266 H GLN 33 H GLN 33 -24.196 -10.641 -21.990 267 HA GLN 33 HA GLN 33 -22.885 -8.318 -22.728 268 HB2 GLN 33 HB2 GLN 33 -22.910 -10.895 -24.306 269 HB3 GLN 33 HB3 GLN 33 -21.655 -9.663 -24.321 270 HG2 GLN 33 HG2 GLN 33 -21.576 -10.191 -21.745 271 HG3 GLN 33 HG3 GLN 33 -22.271 -11.723 -22.274 272 HE21 GLN 33 HE21 GLN 33 -19.469 -10.254 -21.547 273 HE22 GLN 33 HE22 GLN 33 -18.375 -11.181 -22.509 274 H THR 34 H THR 34 -23.446 -6.712 -24.023 275 HA THR 34 HA THR 34 -25.679 -6.957 -25.823 276 HB THR 34 HB THR 34 -24.785 -4.523 -26.427 277 HG1 THR 34 HG1 THR 34 -23.481 -3.678 -24.917 278 HG21 THR 34 HG21 THR 34 -26.508 -5.606 -24.327 279 HG22 THR 34 HG22 THR 34 -26.802 -4.294 -25.468 280 HG23 THR 34 HG23 THR 34 -25.906 -3.986 -23.981 281 HA PRO 35 HA PRO 35 -23.616 -7.728 -29.619 282 HB2 PRO 35 HB2 PRO 35 -24.998 -6.162 -31.353 283 HB3 PRO 35 HB3 PRO 35 -25.672 -7.633 -30.641 284 HG2 PRO 35 HG2 PRO 35 -26.086 -4.779 -29.838 285 HG3 PRO 35 HG3 PRO 35 -27.275 -6.088 -29.971 286 HD2 PRO 35 HD2 PRO 35 -26.231 -5.302 -27.599 287 HD3 PRO 35 HD3 PRO 35 -26.706 -6.982 -27.924 288 H ALA 36 H ALA 36 -23.847 -4.448 -28.484 289 HA ALA 36 HA ALA 36 -22.284 -3.156 -30.427 290 HB1 ALA 36 HB1 ALA 36 -23.712 -2.176 -28.502 291 HB2 ALA 36 HB2 ALA 36 -22.232 -2.327 -27.553 292 HB3 ALA 36 HB3 ALA 36 -22.250 -1.328 -29.007 293 H ASP 37 H ASP 37 -21.434 -5.246 -27.803 294 HA ASP 37 HA ASP 37 -18.816 -4.508 -27.275 295 HB2 ASP 37 HB2 ASP 37 -19.810 -6.176 -25.905 296 HB3 ASP 37 HB3 ASP 37 -20.151 -7.213 -27.288 297 H HIS 38 H HIS 38 -20.152 -6.125 -30.048 298 HA HIS 38 HA HIS 38 -17.915 -7.359 -31.122 299 HB2 HIS 38 HB2 HIS 38 -20.311 -7.418 -31.982 300 HB3 HIS 38 HB3 HIS 38 -19.963 -5.886 -32.778 301 HD1 HIS 38 HD1 HIS 38 -18.895 -9.509 -32.817 302 HD2 HIS 38 HD2 HIS 38 -18.613 -6.089 -35.160 303 HE1 HIS 38 HE1 HIS 38 -17.927 -10.273 -35.009 304 H ALA 39 H ALA 39 -18.860 -3.973 -31.191 305 HA ALA 39 HA ALA 39 -16.729 -3.219 -32.982 306 HB1 ALA 39 HB1 ALA 39 -18.569 -1.837 -33.221 307 HB2 ALA 39 HB2 ALA 39 -18.845 -1.731 -31.482 308 HB3 ALA 39 HB3 ALA 39 -17.494 -0.865 -32.214 309 H ALA 40 H ALA 40 -17.248 -3.389 -29.540 310 HA ALA 40 HA ALA 40 -15.285 -1.660 -28.604 311 HB1 ALA 40 HB1 ALA 40 -17.037 -2.976 -27.290 312 HB2 ALA 40 HB2 ALA 40 -15.866 -4.295 -27.291 313 HB3 ALA 40 HB3 ALA 40 -15.455 -2.752 -26.542 314 H ILE 41 H ILE 41 -14.982 -4.764 -30.118 315 HA ILE 41 HA ILE 41 -12.491 -5.600 -29.218 316 HB ILE 41 HB ILE 41 -13.615 -5.909 -32.005 317 HG12 ILE 41 HG12 ILE 41 -15.144 -6.767 -30.304 318 HG13 ILE 41 HG13 ILE 41 -14.410 -8.099 -31.190 319 HG21 ILE 41 HG21 ILE 41 -12.164 -8.026 -31.888 320 HG22 ILE 41 HG22 ILE 41 -11.364 -6.483 -32.179 321 HG23 ILE 41 HG23 ILE 41 -11.325 -7.207 -30.572 322 HD11 ILE 41 HD11 ILE 41 -13.816 -7.170 -28.402 323 HD12 ILE 41 HD12 ILE 41 -14.409 -8.743 -28.936 324 HD13 ILE 41 HD13 ILE 41 -12.750 -8.260 -29.288 325 H GLU 42 H GLU 42 -13.326 -3.012 -31.365 326 HA GLU 42 HA GLU 42 -10.867 -2.717 -32.707 327 HB2 GLU 42 HB2 GLU 42 -11.650 -0.586 -33.393 328 HB3 GLU 42 HB3 GLU 42 -13.069 -1.621 -33.299 329 HG2 GLU 42 HG2 GLU 42 -13.270 -0.640 -30.891 330 HG3 GLU 42 HG3 GLU 42 -12.256 0.645 -31.545 331 H ALA 43 H ALA 43 -11.949 -1.759 -29.540 332 HA ALA 43 HA ALA 43 -9.828 0.100 -29.045 333 HB1 ALA 43 HB1 ALA 43 -11.192 0.661 -27.390 334 HB2 ALA 43 HB2 ALA 43 -12.201 -0.749 -27.716 335 HB3 ALA 43 HB3 ALA 43 -10.846 -0.876 -26.595 336 H LEU 44 H LEU 44 -10.528 -3.144 -27.724 337 HA LEU 44 HA LEU 44 -8.068 -3.456 -26.413 338 HB2 LEU 44 HB2 LEU 44 -8.616 -5.843 -26.345 339 HB3 LEU 44 HB3 LEU 44 -9.976 -4.828 -25.871 340 HG LEU 44 HG LEU 44 -10.639 -5.153 -28.414 341 HD11 LEU 44 HD11 LEU 44 -10.000 -7.830 -28.522 342 HD12 LEU 44 HD12 LEU 44 -8.502 -7.073 -27.982 343 HD13 LEU 44 HD13 LEU 44 -9.266 -6.545 -29.481 344 HD21 LEU 44 HD21 LEU 44 -11.150 -6.757 -25.980 345 HD22 LEU 44 HD22 LEU 44 -11.695 -7.434 -27.514 346 HD23 LEU 44 HD23 LEU 44 -12.267 -5.847 -26.997 347 H ASP 45 H ASP 45 -9.069 -4.152 -29.704 348 HA ASP 45 HA ASP 45 -7.010 -5.777 -30.569 349 HB2 ASP 45 HB2 ASP 45 -8.871 -5.311 -32.017 350 HB3 ASP 45 HB3 ASP 45 -8.489 -3.591 -32.040 351 H ARG 46 H ARG 46 -7.112 -2.223 -30.895 352 HA ARG 46 HA ARG 46 -4.522 -1.863 -31.810 353 HB2 ARG 46 HB2 ARG 46 -6.202 -0.081 -31.804 354 HB3 ARG 46 HB3 ARG 46 -6.148 -0.021 -30.047 355 HG2 ARG 46 HG2 ARG 46 -4.093 1.013 -30.009 356 HG3 ARG 46 HG3 ARG 46 -3.646 0.416 -31.608 357 HD2 ARG 46 HD2 ARG 46 -5.769 2.486 -31.056 358 HD3 ARG 46 HD3 ARG 46 -4.124 2.838 -31.585 359 HE ARG 46 HE ARG 46 -5.352 1.036 -33.378 360 HH11 ARG 46 HH11 ARG 46 -5.418 4.378 -32.404 361 HH12 ARG 46 HH12 ARG 46 -5.958 4.952 -33.946 362 HH21 ARG 46 HH21 ARG 46 -6.064 1.780 -35.413 363 HH22 ARG 46 HH22 ARG 46 -6.326 3.474 -35.657 364 H LEU 47 H LEU 47 -5.712 -2.163 -28.505 365 HA LEU 47 HA LEU 47 -3.328 -1.467 -27.182 366 HB2 LEU 47 HB2 LEU 47 -5.274 -1.486 -25.884 367 HB3 LEU 47 HB3 LEU 47 -5.719 -3.106 -26.418 368 HG LEU 47 HG LEU 47 -4.009 -4.088 -25.039 369 HD11 LEU 47 HD11 LEU 47 -2.607 -2.706 -23.568 370 HD12 LEU 47 HD12 LEU 47 -3.241 -1.256 -24.345 371 HD13 LEU 47 HD13 LEU 47 -2.282 -2.407 -25.275 372 HD21 LEU 47 HD21 LEU 47 -6.249 -2.747 -24.089 373 HD22 LEU 47 HD22 LEU 47 -4.957 -2.298 -22.975 374 HD23 LEU 47 HD23 LEU 47 -5.331 -4.000 -23.253 375 H LEU 48 H LEU 48 -4.673 -4.687 -27.918 376 HA LEU 48 HA LEU 48 -2.580 -6.225 -26.959 377 HB2 LEU 48 HB2 LEU 48 -4.349 -6.746 -29.344 378 HB3 LEU 48 HB3 LEU 48 -3.337 -7.953 -28.554 379 HG LEU 48 HG LEU 48 -5.569 -6.495 -27.152 380 HD11 LEU 48 HD11 LEU 48 -5.638 -9.198 -28.485 381 HD12 LEU 48 HD12 LEU 48 -6.481 -7.751 -29.037 382 HD13 LEU 48 HD13 LEU 48 -6.919 -8.493 -27.498 383 HD21 LEU 48 HD21 LEU 48 -5.340 -8.715 -25.788 384 HD22 LEU 48 HD22 LEU 48 -4.240 -7.368 -25.492 385 HD23 LEU 48 HD23 LEU 48 -3.717 -8.734 -26.479 386 H LEU 49 H LEU 49 -3.061 -5.084 -30.303 387 HA LEU 49 HA LEU 49 -0.726 -6.087 -31.407 388 HB2 LEU 49 HB2 LEU 49 -2.423 -5.174 -32.809 389 HB3 LEU 49 HB3 LEU 49 -2.282 -3.592 -32.045 390 HG LEU 49 HG LEU 49 0.044 -3.460 -33.011 391 HD11 LEU 49 HD11 LEU 49 0.887 -5.337 -33.854 392 HD12 LEU 49 HD12 LEU 49 -0.205 -5.113 -35.220 393 HD13 LEU 49 HD13 LEU 49 -0.690 -6.127 -33.862 394 HD21 LEU 49 HD21 LEU 49 -1.004 -3.270 -35.448 395 HD22 LEU 49 HD22 LEU 49 -1.354 -2.100 -34.175 396 HD23 LEU 49 HD23 LEU 49 -2.502 -3.392 -34.526 397 H ASP 50 H ASP 50 -1.267 -2.905 -29.913 398 HA ASP 50 HA ASP 50 1.241 -1.804 -30.278 399 HB2 ASP 50 HB2 ASP 50 -0.936 -1.435 -28.289 400 HB3 ASP 50 HB3 ASP 50 0.642 -0.770 -27.877 401 H VAL 51 H VAL 51 0.124 -3.604 -27.406 402 HA VAL 51 HA VAL 51 2.563 -3.672 -26.061 403 HB VAL 51 HB VAL 51 0.365 -5.744 -26.004 404 HG11 VAL 51 HG11 VAL 51 1.753 -6.915 -24.717 405 HG12 VAL 51 HG12 VAL 51 2.933 -5.603 -24.683 406 HG13 VAL 51 HG13 VAL 51 1.606 -5.628 -23.521 407 HG21 VAL 51 HG21 VAL 51 -0.832 -4.373 -24.712 408 HG22 VAL 51 HG22 VAL 51 0.575 -3.916 -23.752 409 HG23 VAL 51 HG23 VAL 51 0.238 -3.087 -25.272 410 H ARG 52 H ARG 52 1.293 -5.754 -28.592 411 HA ARG 52 HA ARG 52 3.340 -7.730 -28.384 412 HB2 ARG 52 HB2 ARG 52 1.068 -8.084 -29.406 413 HB3 ARG 52 HB3 ARG 52 1.606 -7.129 -30.781 414 HG2 ARG 52 HG2 ARG 52 3.083 -8.751 -31.502 415 HG3 ARG 52 HG3 ARG 52 3.182 -9.510 -29.911 416 HD2 ARG 52 HD2 ARG 52 1.910 -10.881 -31.492 417 HD3 ARG 52 HD3 ARG 52 0.909 -10.340 -30.145 418 HE ARG 52 HE ARG 52 0.451 -8.463 -32.028 419 HH11 ARG 52 HH11 ARG 52 0.347 -11.942 -32.066 420 HH12 ARG 52 HH12 ARG 52 -0.890 -12.022 -33.276 421 HH21 ARG 52 HH21 ARG 52 -1.178 -8.555 -33.622 422 HH22 ARG 52 HH22 ARG 52 -1.756 -10.095 -34.161 423 H ALA 53 H ALA 53 3.045 -4.672 -29.987 424 HA ALA 53 HA ALA 53 5.406 -5.173 -31.636 425 HB1 ALA 53 HB1 ALA 53 4.905 -3.025 -32.679 426 HB2 ALA 53 HB2 ALA 53 3.493 -4.083 -32.694 427 HB3 ALA 53 HB3 ALA 53 3.594 -2.764 -31.528 428 H ARG 54 H ARG 54 5.459 -4.894 -28.660 429 HA ARG 54 HA ARG 54 6.793 -3.974 -27.064 430 HB2 ARG 54 HB2 ARG 54 8.349 -2.881 -29.415 431 HB3 ARG 54 HB3 ARG 54 8.931 -3.034 -27.762 432 HG2 ARG 54 HG2 ARG 54 8.776 -5.456 -27.914 433 HG3 ARG 54 HG3 ARG 54 8.145 -5.321 -29.556 434 HD2 ARG 54 HD2 ARG 54 10.562 -5.857 -29.474 435 HD3 ARG 54 HD3 ARG 54 10.208 -4.354 -30.325 436 HE ARG 54 HE ARG 54 10.752 -3.752 -27.646 437 HH11 ARG 54 HH11 ARG 54 12.375 -4.947 -30.485 438 HH12 ARG 54 HH12 ARG 54 13.922 -4.317 -30.025 439 HH21 ARG 54 HH21 ARG 54 12.783 -2.917 -27.030 440 HH22 ARG 54 HH22 ARG 54 14.153 -3.163 -28.060 441 H ARG 55 H ARG 55 4.499 -2.563 -27.617 442 HA ARG 55 HA ARG 55 5.374 0.245 -27.427 443 HB2 ARG 55 HB2 ARG 55 2.612 -0.677 -28.207 444 HB3 ARG 55 HB3 ARG 55 3.301 0.931 -28.374 445 HG2 ARG 55 HG2 ARG 55 4.267 -1.495 -29.871 446 HG3 ARG 55 HG3 ARG 55 3.121 -0.313 -30.506 447 HD2 ARG 55 HD2 ARG 55 5.731 0.638 -29.426 448 HD3 ARG 55 HD3 ARG 55 5.693 -0.122 -31.017 449 HE ARG 55 HE ARG 55 4.766 2.490 -30.343 450 HH11 ARG 55 HH11 ARG 55 4.220 -0.219 -32.461 451 HH12 ARG 55 HH12 ARG 55 3.503 0.739 -33.714 452 HH21 ARG 55 HH21 ARG 55 3.824 3.761 -31.985 453 HH22 ARG 55 HH22 ARG 55 3.279 3.003 -33.443 454 H VAL 56 H VAL 56 5.141 -1.816 -25.295 455 HA VAL 56 HA VAL 56 2.999 -0.634 -23.663 456 HB VAL 56 HB VAL 56 2.991 -3.112 -23.940 457 HG11 VAL 56 HG11 VAL 56 4.669 -4.428 -22.713 458 HG12 VAL 56 HG12 VAL 56 5.386 -3.499 -24.031 459 HG13 VAL 56 HG13 VAL 56 5.559 -2.946 -22.365 460 HG21 VAL 56 HG21 VAL 56 2.471 -3.587 -21.667 461 HG22 VAL 56 HG22 VAL 56 3.525 -2.296 -21.089 462 HG23 VAL 56 HG23 VAL 56 2.038 -1.901 -21.953 463 H ASP 57 H ASP 57 3.428 0.003 -21.508 464 HA ASP 57 HA ASP 57 6.200 0.169 -20.644 465 HB2 ASP 57 HB2 ASP 57 4.530 2.679 -20.838 466 HB3 ASP 57 HB3 ASP 57 6.224 2.553 -20.373 467 H GLN 58 H GLN 58 6.160 1.565 -18.460 468 HA GLN 58 HA GLN 58 4.182 0.219 -16.787 469 HB2 GLN 58 HB2 GLN 58 5.629 0.623 -14.951 470 HB3 GLN 58 HB3 GLN 58 6.661 0.133 -16.288 471 HG2 GLN 58 HG2 GLN 58 7.858 1.901 -15.543 472 HG3 GLN 58 HG3 GLN 58 6.793 2.746 -16.666 473 HE21 GLN 58 HE21 GLN 58 6.961 4.683 -15.563 474 HE22 GLN 58 HE22 GLN 58 6.204 4.948 -14.032 475 H PHE 59 H PHE 59 2.916 1.315 -15.250 476 HA PHE 59 HA PHE 59 2.913 4.117 -14.910 477 HB2 PHE 59 HB2 PHE 59 1.991 3.743 -17.317 478 HB3 PHE 59 HB3 PHE 59 0.527 3.215 -16.493 479 HD1 PHE 59 HD2 PHE 59 2.944 6.052 -16.512 480 HD2 PHE 59 HD1 PHE 59 -1.084 4.777 -15.995 481 HE1 PHE 59 HE2 PHE 59 2.234 8.397 -16.284 482 HE2 PHE 59 HE1 PHE 59 -1.800 7.120 -15.767 483 HZ PHE 59 HZ PHE 59 -0.140 8.934 -15.909 484 H GLN 60 H GLN 60 1.681 4.698 -13.183 485 HA GLN 60 HA GLN 60 0.420 2.543 -11.712 486 HB2 GLN 60 HB2 GLN 60 0.287 4.136 -9.874 487 HB3 GLN 60 HB3 GLN 60 1.908 4.123 -10.556 488 HG2 GLN 60 HG2 GLN 60 1.563 6.193 -11.650 489 HG3 GLN 60 HG3 GLN 60 -0.168 6.155 -11.318 490 HE21 GLN 60 HE21 GLN 60 -0.707 6.042 -8.933 491 HE22 GLN 60 HE22 GLN 60 0.207 7.070 -7.888 492 H ILE 61 H ILE 61 -1.725 2.434 -11.112 493 HA ILE 61 HA ILE 61 -3.568 3.827 -12.863 494 HB ILE 61 HB ILE 61 -4.229 1.817 -10.712 495 HG12 ILE 61 HG12 ILE 61 -2.601 0.896 -12.332 496 HG13 ILE 61 HG13 ILE 61 -4.173 0.112 -12.451 497 HG21 ILE 61 HG21 ILE 61 -6.275 2.612 -11.255 498 HG22 ILE 61 HG22 ILE 61 -5.747 3.206 -12.829 499 HG23 ILE 61 HG23 ILE 61 -6.099 1.492 -12.605 500 HD11 ILE 61 HD11 ILE 61 -2.666 1.388 -14.480 501 HD12 ILE 61 HD12 ILE 61 -4.223 0.569 -14.609 502 HD13 ILE 61 HD13 ILE 61 -4.161 2.295 -14.250 503 H ASN 62 H ASN 62 -3.279 3.338 -9.340 504 HA ASN 62 HA ASN 62 -3.977 6.067 -8.810 505 HB2 ASN 62 HB2 ASN 62 -6.002 3.891 -8.490 506 HB3 ASN 62 HB3 ASN 62 -5.964 5.190 -7.301 507 HD21 ASN 62 HD21 ASN 62 -6.060 7.405 -8.167 508 HD22 ASN 62 HD22 ASN 62 -7.042 7.693 -9.559 509 H ALA 63 H ALA 63 -4.496 6.198 -6.272 510 HA ALA 63 HA ALA 63 -2.236 4.844 -5.003 511 HB1 ALA 63 HB1 ALA 63 -3.906 7.193 -4.120 512 HB2 ALA 63 HB2 ALA 63 -2.582 6.499 -3.184 513 HB3 ALA 63 HB3 ALA 63 -2.260 7.232 -4.755 514 H SER 64 H SER 64 -5.696 4.917 -4.991 515 HA SER 64 HA SER 64 -5.934 3.546 -2.450 516 HB2 SER 64 HB2 SER 64 -7.666 5.144 -3.061 517 HB3 SER 64 HB3 SER 64 -8.005 4.252 -4.544 518 HG SER 64 HG SER 64 -9.115 3.896 -2.205 519 H ALA 65 H ALA 65 -6.001 2.780 -5.866 520 HA ALA 65 HA ALA 65 -6.714 0.000 -5.309 521 HB1 ALA 65 HB1 ALA 65 -6.142 1.102 -8.036 522 HB2 ALA 65 HB2 ALA 65 -7.182 -0.246 -7.574 523 HB3 ALA 65 HB3 ALA 65 -7.683 1.410 -7.235 524 H ALA 66 H ALA 66 -5.435 -1.735 -6.290 525 HA ALA 66 HA ALA 66 -2.794 -1.750 -5.492 526 HB1 ALA 66 HB1 ALA 66 -3.802 -3.423 -7.776 527 HB2 ALA 66 HB2 ALA 66 -2.574 -3.829 -6.577 528 HB3 ALA 66 HB3 ALA 66 -4.269 -3.723 -6.102 529 H GLN 67 H GLN 67 -0.826 -1.421 -6.473 530 HA GLN 67 HA GLN 67 -0.905 0.193 -8.917 531 HB2 GLN 67 HB2 GLN 67 0.247 0.923 -6.711 532 HB3 GLN 67 HB3 GLN 67 1.523 -0.188 -7.191 533 HG2 GLN 67 HG2 GLN 67 2.193 1.112 -8.940 534 HG3 GLN 67 HG3 GLN 67 0.596 1.821 -9.169 535 HE21 GLN 67 HE21 GLN 67 2.987 3.284 -9.122 536 HE22 GLN 67 HE22 GLN 67 2.956 4.330 -7.748 537 H ILE 68 H ILE 68 -0.176 -0.559 -10.796 538 HA ILE 68 HA ILE 68 1.258 -3.127 -10.794 539 HB ILE 68 HB ILE 68 -0.152 -1.887 -13.150 540 HG12 ILE 68 HG12 ILE 68 -1.810 -2.203 -11.402 541 HG13 ILE 68 HG13 ILE 68 -2.024 -3.435 -12.641 542 HG21 ILE 68 HG21 ILE 68 -0.222 -4.369 -13.794 543 HG22 ILE 68 HG22 ILE 68 1.322 -3.527 -13.913 544 HG23 ILE 68 HG23 ILE 68 1.000 -4.587 -12.541 545 HD11 ILE 68 HD11 ILE 68 -0.621 -3.834 -10.010 546 HD12 ILE 68 HD12 ILE 68 -2.269 -4.337 -10.387 547 HD13 ILE 68 HD13 ILE 68 -0.907 -5.065 -11.239 548 H ILE 69 H ILE 69 3.023 -3.441 -12.216 549 HA ILE 69 HA ILE 69 4.169 -1.062 -13.469 550 HB ILE 69 HB ILE 69 5.693 -2.775 -11.502 551 HG12 ILE 69 HG12 ILE 69 5.959 -0.336 -10.504 552 HG13 ILE 69 HG13 ILE 69 4.448 -0.062 -11.365 553 HG21 ILE 69 HG21 ILE 69 7.170 -2.183 -13.265 554 HG22 ILE 69 HG22 ILE 69 6.566 -0.527 -13.301 555 HG23 ILE 69 HG23 ILE 69 7.510 -1.091 -11.923 556 HD11 ILE 69 HD11 ILE 69 3.332 -0.980 -9.699 557 HD12 ILE 69 HD12 ILE 69 4.216 -2.491 -9.920 558 HD13 ILE 69 HD13 ILE 69 4.846 -1.250 -8.836 559 H VAL 70 H VAL 70 5.485 -1.482 -15.219 560 HA VAL 70 HA VAL 70 5.612 -4.304 -16.058 561 HB VAL 70 HB VAL 70 5.548 -1.831 -17.794 562 HG11 VAL 70 HG11 VAL 70 4.990 -4.206 -19.235 563 HG12 VAL 70 HG12 VAL 70 6.346 -3.095 -19.435 564 HG13 VAL 70 HG13 VAL 70 6.482 -4.464 -18.330 565 HG21 VAL 70 HG21 VAL 70 3.411 -2.486 -16.615 566 HG22 VAL 70 HG22 VAL 70 3.328 -2.416 -18.375 567 HG23 VAL 70 HG23 VAL 70 3.449 -3.975 -17.560 568 H THR 71 H THR 71 7.600 -4.986 -15.487 569 HA THR 71 HA THR 71 9.903 -3.320 -16.259 570 HB THR 71 HB THR 71 10.005 -3.675 -13.916 571 HG1 THR 71 HG1 THR 71 12.002 -4.470 -13.878 572 HG21 THR 71 HG21 THR 71 10.167 -6.386 -13.419 573 HG22 THR 71 HG22 THR 71 8.857 -6.265 -14.593 574 HG23 THR 71 HG23 THR 71 8.777 -5.354 -13.086 575 H ASP 72 H ASP 72 9.601 -4.190 -18.452 576 HA ASP 72 HA ASP 72 10.248 -5.533 -20.169 577 HB2 ASP 72 HB2 ASP 72 12.016 -6.880 -18.118 578 HB3 ASP 72 HB3 ASP 72 12.210 -6.928 -19.868 Start of MODEL 16 1 H1 MET 1 H MET 1 1.802 1.476 -3.644 2 HA MET 1 HA MET 1 3.322 -0.027 -1.619 3 HB2 MET 1 HB2 MET 1 1.498 1.692 -0.951 4 HB3 MET 1 HB3 MET 1 0.361 0.459 -1.481 5 HG2 MET 1 HG2 MET 1 1.056 -1.048 0.179 6 HG3 MET 1 HG3 MET 1 2.505 -0.111 0.535 7 HE1 MET 1 HE1 MET 1 2.119 2.595 1.155 8 HE2 MET 1 HE2 MET 1 1.351 2.746 2.735 9 HE3 MET 1 HE3 MET 1 2.636 1.562 2.488 10 H ASP 2 H ASP 2 0.570 -0.247 -3.852 11 HA ASP 2 HA ASP 2 0.617 -3.163 -3.620 12 HB2 ASP 2 HB2 ASP 2 -1.343 -1.251 -4.894 13 HB3 ASP 2 HB3 ASP 2 -1.466 -3.001 -5.054 14 H ARG 3 H ARG 3 2.871 -2.255 -4.818 15 HA ARG 3 HA ARG 3 2.728 -1.980 -7.623 16 HB2 ARG 3 HB2 ARG 3 4.708 -1.250 -6.504 17 HB3 ARG 3 HB3 ARG 3 4.961 -2.835 -5.784 18 HG2 ARG 3 HG2 ARG 3 5.885 -3.698 -7.666 19 HG3 ARG 3 HG3 ARG 3 4.917 -2.686 -8.739 20 HD2 ARG 3 HD2 ARG 3 6.946 -1.690 -9.025 21 HD3 ARG 3 HD3 ARG 3 6.368 -0.767 -7.638 22 HE ARG 3 HE ARG 3 7.763 -3.016 -6.711 23 HH11 ARG 3 HH11 ARG 3 8.342 -0.007 -8.364 24 HH12 ARG 3 HH12 ARG 3 9.962 0.156 -7.773 25 HH21 ARG 3 HH21 ARG 3 9.895 -2.812 -5.927 26 HH22 ARG 3 HH22 ARG 3 10.845 -1.440 -6.387 27 H ILE 4 H ILE 4 2.732 -3.436 -9.254 28 HA ILE 4 HA ILE 4 2.987 -6.284 -8.578 29 HB ILE 4 HB ILE 4 0.818 -5.124 -10.331 30 HG12 ILE 4 HG12 ILE 4 0.519 -6.613 -7.721 31 HG13 ILE 4 HG13 ILE 4 0.558 -4.856 -7.823 32 HG21 ILE 4 HG21 ILE 4 0.040 -7.614 -10.087 33 HG22 ILE 4 HG22 ILE 4 1.223 -7.158 -11.312 34 HG23 ILE 4 HG23 ILE 4 1.757 -7.902 -9.805 35 HD11 ILE 4 HD11 ILE 4 -1.350 -5.520 -9.671 36 HD12 ILE 4 HD12 ILE 4 -1.599 -6.716 -8.398 37 HD13 ILE 4 HD13 ILE 4 -1.651 -4.996 -8.014 38 H PHE 5 H PHE 5 4.754 -6.892 -9.652 39 HA PHE 5 HA PHE 5 5.612 -5.670 -12.083 40 HB2 PHE 5 HB2 PHE 5 7.355 -7.442 -12.075 41 HB3 PHE 5 HB3 PHE 5 7.254 -6.574 -10.547 42 HD1 PHE 5 HD1 PHE 5 6.364 -9.722 -12.257 43 HD2 PHE 5 HD2 PHE 5 6.758 -7.695 -8.536 44 HE1 PHE 5 HE1 PHE 5 6.096 -11.859 -11.068 45 HE2 PHE 5 HE2 PHE 5 6.491 -9.829 -7.341 46 HZ PHE 5 HZ PHE 5 6.160 -11.915 -8.607 47 H MET 6 H MET 6 5.929 -6.775 -14.124 48 HA MET 6 HA MET 6 4.562 -9.219 -14.687 49 HB2 MET 6 HB2 MET 6 2.875 -7.091 -14.596 50 HB3 MET 6 HB3 MET 6 3.356 -7.053 -16.287 51 HG2 MET 6 HG2 MET 6 1.361 -8.337 -16.105 52 HG3 MET 6 HG3 MET 6 2.691 -9.434 -16.473 53 HE1 MET 6 HE1 MET 6 -0.412 -9.267 -13.730 54 HE2 MET 6 HE2 MET 6 0.701 -8.687 -12.491 55 HE3 MET 6 HE3 MET 6 0.535 -7.806 -14.011 56 H THR 7 H THR 7 5.099 -10.056 -16.693 57 HA THR 7 HA THR 7 7.311 -8.704 -18.023 58 HB THR 7 HB THR 7 7.807 -10.784 -19.081 59 HG1 THR 7 HG1 THR 7 6.207 -12.047 -19.616 60 HG21 THR 7 HG21 THR 7 6.875 -11.803 -16.440 61 HG22 THR 7 HG22 THR 7 8.045 -10.484 -16.468 62 HG23 THR 7 HG23 THR 7 8.428 -12.018 -17.248 63 H ARG 8 H ARG 8 7.307 -9.382 -20.544 64 HA ARG 8 HA ARG 8 5.438 -7.700 -21.772 65 HB2 ARG 8 HB2 ARG 8 6.265 -8.669 -23.903 66 HB3 ARG 8 HB3 ARG 8 7.560 -8.170 -22.824 67 HG2 ARG 8 HG2 ARG 8 7.591 -10.625 -22.063 68 HG3 ARG 8 HG3 ARG 8 6.667 -10.934 -23.535 69 HD2 ARG 8 HD2 ARG 8 8.879 -11.267 -24.190 70 HD3 ARG 8 HD3 ARG 8 8.522 -9.628 -24.733 71 HE ARG 8 HE ARG 8 9.608 -9.416 -22.192 72 HH11 ARG 8 HH11 ARG 8 10.589 -10.551 -25.333 73 HH12 ARG 8 HH12 ARG 8 12.264 -10.180 -25.088 74 HH21 ARG 8 HH21 ARG 8 11.810 -8.923 -21.857 75 HH22 ARG 8 HH22 ARG 8 12.957 -9.255 -23.110 76 H THR 9 H THR 9 5.479 -11.201 -21.342 77 HA THR 9 HA THR 9 3.074 -11.591 -22.886 78 HB THR 9 HB THR 9 4.114 -13.678 -21.015 79 HG1 THR 9 HG1 THR 9 5.304 -13.263 -23.553 80 HG21 THR 9 HG21 THR 9 3.549 -15.134 -22.950 81 HG22 THR 9 HG22 THR 9 2.988 -13.704 -23.817 82 HG23 THR 9 HG23 THR 9 2.171 -14.218 -22.341 83 H GLU 10 H GLU 10 3.939 -12.009 -19.449 84 HA GLU 10 HA GLU 10 1.349 -12.545 -18.532 85 HB2 GLU 10 HB2 GLU 10 3.541 -11.167 -16.976 86 HB3 GLU 10 HB3 GLU 10 2.191 -12.080 -16.318 87 HG2 GLU 10 HG2 GLU 10 4.418 -13.216 -17.994 88 HG3 GLU 10 HG3 GLU 10 4.281 -13.340 -16.241 89 H ALA 11 H ALA 11 2.777 -9.625 -19.588 90 HA ALA 11 HA ALA 11 1.545 -7.648 -18.135 91 HB1 ALA 11 HB1 ALA 11 2.642 -6.442 -19.637 92 HB2 ALA 11 HB2 ALA 11 2.820 -7.852 -20.682 93 HB3 ALA 11 HB3 ALA 11 1.395 -6.823 -20.825 94 H LEU 12 H LEU 12 0.127 -9.812 -20.474 95 HA LEU 12 HA LEU 12 -2.184 -8.515 -21.197 96 HB2 LEU 12 HB2 LEU 12 -1.924 -11.433 -20.484 97 HB3 LEU 12 HB3 LEU 12 -3.198 -10.716 -21.469 98 HG LEU 12 HG LEU 12 -0.367 -10.421 -22.356 99 HD11 LEU 12 HD11 LEU 12 -2.006 -12.919 -22.761 100 HD12 LEU 12 HD12 LEU 12 -0.569 -12.788 -21.749 101 HD13 LEU 12 HD13 LEU 12 -0.441 -12.564 -23.493 102 HD21 LEU 12 HD21 LEU 12 -2.219 -11.144 -24.384 103 HD22 LEU 12 HD22 LEU 12 -1.390 -9.605 -24.146 104 HD23 LEU 12 HD23 LEU 12 -2.956 -9.892 -23.385 105 H GLU 13 H GLU 13 -1.618 -10.433 -18.261 106 HA GLU 13 HA GLU 13 -4.142 -10.358 -17.152 107 HB2 GLU 13 HB2 GLU 13 -1.416 -10.319 -15.872 108 HB3 GLU 13 HB3 GLU 13 -2.890 -10.385 -14.916 109 HG2 GLU 13 HG2 GLU 13 -2.448 -12.374 -17.093 110 HG3 GLU 13 HG3 GLU 13 -1.637 -12.571 -15.541 111 H PHE 14 H PHE 14 -1.601 -7.906 -17.019 112 HA PHE 14 HA PHE 14 -2.991 -6.159 -15.260 113 HB2 PHE 14 HB2 PHE 14 -0.638 -5.885 -15.385 114 HB3 PHE 14 HB3 PHE 14 -0.669 -5.770 -17.141 115 HD1 PHE 14 HD2 PHE 14 -2.807 -4.018 -14.664 116 HD2 PHE 14 HD1 PHE 14 0.278 -3.694 -17.579 117 HE1 PHE 14 HE2 PHE 14 -2.911 -1.566 -14.497 118 HE2 PHE 14 HE1 PHE 14 0.179 -1.241 -17.416 119 HZ PHE 14 HZ PHE 14 -1.417 -0.174 -15.874 120 H LEU 15 H LEU 15 -2.558 -6.202 -18.786 121 HA LEU 15 HA LEU 15 -3.904 -3.889 -19.453 122 HB2 LEU 15 HB2 LEU 15 -3.774 -6.530 -20.892 123 HB3 LEU 15 HB3 LEU 15 -4.464 -5.071 -21.600 124 HG LEU 15 HG LEU 15 -1.630 -5.141 -20.612 125 HD11 LEU 15 HD11 LEU 15 -1.992 -5.447 -23.488 126 HD12 LEU 15 HD12 LEU 15 -2.531 -6.846 -22.559 127 HD13 LEU 15 HD13 LEU 15 -0.876 -6.260 -22.389 128 HD21 LEU 15 HD21 LEU 15 -2.927 -3.002 -21.186 129 HD22 LEU 15 HD22 LEU 15 -2.793 -3.534 -22.862 130 HD23 LEU 15 HD23 LEU 15 -1.337 -3.228 -21.915 131 H LEU 16 H LEU 16 -5.237 -7.110 -18.835 132 HA LEU 16 HA LEU 16 -7.946 -6.211 -19.296 133 HB2 LEU 16 HB2 LEU 16 -7.107 -8.511 -19.843 134 HB3 LEU 16 HB3 LEU 16 -7.022 -8.821 -18.110 135 HG LEU 16 HG LEU 16 -9.575 -8.114 -18.234 136 HD11 LEU 16 HD11 LEU 16 -10.368 -9.345 -20.423 137 HD12 LEU 16 HD12 LEU 16 -8.809 -8.784 -21.028 138 HD13 LEU 16 HD13 LEU 16 -9.991 -7.622 -20.425 139 HD21 LEU 16 HD21 LEU 16 -8.963 -10.197 -17.331 140 HD22 LEU 16 HD22 LEU 16 -8.334 -10.775 -18.874 141 HD23 LEU 16 HD23 LEU 16 -10.072 -10.573 -18.650 142 H LYS 17 H LYS 17 -5.782 -6.609 -16.622 143 HA LYS 17 HA LYS 17 -7.625 -6.805 -14.517 144 HB2 LYS 17 HB2 LYS 17 -5.326 -7.258 -14.071 145 HB3 LYS 17 HB3 LYS 17 -4.832 -5.673 -14.651 146 HG2 LYS 17 HG2 LYS 17 -5.975 -4.630 -12.751 147 HG3 LYS 17 HG3 LYS 17 -6.438 -6.230 -12.164 148 HD2 LYS 17 HD2 LYS 17 -3.560 -5.746 -12.709 149 HD3 LYS 17 HD3 LYS 17 -4.264 -4.966 -11.291 150 HE2 LYS 17 HE2 LYS 17 -3.529 -6.982 -10.430 151 HE3 LYS 17 HE3 LYS 17 -5.221 -7.324 -10.787 152 HZ1 LYS 17 HZ1 LYS 17 -3.614 -7.871 -13.049 153 HZ2 LYS 17 HZ2 LYS 17 -4.613 -8.920 -12.176 154 HZ3 LYS 17 HZ3 LYS 17 -3.004 -8.697 -11.704 155 H ALA 18 H ALA 18 -5.974 -3.923 -15.814 156 HA ALA 18 HA ALA 18 -7.147 -1.996 -14.226 157 HB1 ALA 18 HB1 ALA 18 -5.778 -0.772 -15.469 158 HB2 ALA 18 HB2 ALA 18 -5.662 -2.054 -16.676 159 HB3 ALA 18 HB3 ALA 18 -6.951 -0.855 -16.784 160 H HIS 19 H HIS 19 -8.416 -3.528 -17.142 161 HA HIS 19 HA HIS 19 -10.701 -1.861 -17.388 162 HB2 HIS 19 HB2 HIS 19 -9.878 -4.504 -18.531 163 HB3 HIS 19 HB3 HIS 19 -11.540 -3.956 -18.729 164 HD1 HIS 19 HD1 HIS 19 -11.506 -1.236 -19.636 165 HD2 HIS 19 HD2 HIS 19 -8.406 -3.801 -20.670 166 HE1 HIS 19 HE1 HIS 19 -10.439 -0.214 -21.671 167 H GLN 20 H GLN 20 -10.015 -4.802 -15.619 168 HA GLN 20 HA GLN 20 -12.663 -5.533 -15.002 169 HB2 GLN 20 HB2 GLN 20 -10.657 -6.993 -14.718 170 HB3 GLN 20 HB3 GLN 20 -10.194 -6.018 -13.329 171 HG2 GLN 20 HG2 GLN 20 -12.357 -6.621 -12.264 172 HG3 GLN 20 HG3 GLN 20 -12.660 -7.715 -13.613 173 HE21 GLN 20 HE21 GLN 20 -12.515 -9.668 -12.718 174 HE22 GLN 20 HE22 GLN 20 -11.153 -10.263 -11.838 175 H THR 21 H THR 21 -10.420 -3.282 -13.518 176 HA THR 21 HA THR 21 -12.151 -2.802 -11.247 177 HB THR 21 HB THR 21 -9.746 -1.157 -12.020 178 HG1 THR 21 HG1 THR 21 -9.335 -3.510 -11.873 179 HG21 THR 21 HG21 THR 21 -9.682 -0.497 -9.775 180 HG22 THR 21 HG22 THR 21 -10.713 -1.832 -9.258 181 HG23 THR 21 HG23 THR 21 -11.402 -0.486 -10.165 182 H ALA 22 H ALA 22 -11.165 -1.117 -14.197 183 HA ALA 22 HA ALA 22 -12.476 1.316 -13.699 184 HB1 ALA 22 HB1 ALA 22 -11.267 -0.017 -16.016 185 HB2 ALA 22 HB2 ALA 22 -12.542 1.137 -16.408 186 HB3 ALA 22 HB3 ALA 22 -11.141 1.656 -15.471 187 H VAL 23 H VAL 23 -13.545 -1.519 -15.577 188 HA VAL 23 HA VAL 23 -16.090 -0.528 -16.231 189 HB VAL 23 HB VAL 23 -15.227 -3.405 -15.899 190 HG11 VAL 23 HG11 VAL 23 -17.122 -3.699 -17.628 191 HG12 VAL 23 HG12 VAL 23 -17.549 -3.499 -15.927 192 HG13 VAL 23 HG13 VAL 23 -17.689 -2.137 -17.039 193 HG21 VAL 23 HG21 VAL 23 -15.546 -2.442 -18.606 194 HG22 VAL 23 HG22 VAL 23 -14.343 -1.502 -17.724 195 HG23 VAL 23 HG23 VAL 23 -14.171 -3.252 -17.855 196 H ASP 24 H ASP 24 -14.841 -1.933 -13.324 197 HA ASP 24 HA ASP 24 -17.439 -2.544 -12.217 198 HB2 ASP 24 HB2 ASP 24 -15.607 -3.958 -11.556 199 HB3 ASP 24 HB3 ASP 24 -14.662 -2.569 -11.025 200 H LYS 25 H LYS 25 -15.032 0.003 -11.968 201 HA LYS 25 HA LYS 25 -16.025 1.361 -9.741 202 HB2 LYS 25 HB2 LYS 25 -14.402 2.141 -12.123 203 HB3 LYS 25 HB3 LYS 25 -15.041 3.415 -11.093 204 HG2 LYS 25 HG2 LYS 25 -13.360 1.123 -10.104 205 HG3 LYS 25 HG3 LYS 25 -12.729 2.715 -10.532 206 HD2 LYS 25 HD2 LYS 25 -14.273 3.706 -8.844 207 HD3 LYS 25 HD3 LYS 25 -14.715 2.068 -8.355 208 HE2 LYS 25 HE2 LYS 25 -13.019 2.977 -6.870 209 HE3 LYS 25 HE3 LYS 25 -12.375 1.615 -7.786 210 HZ1 LYS 25 HZ1 LYS 25 -11.293 4.138 -7.592 211 HZ2 LYS 25 HZ2 LYS 25 -11.932 4.062 -9.156 212 HZ3 LYS 25 HZ3 LYS 25 -10.809 2.905 -8.645 213 H ILE 26 H ILE 26 -17.157 1.245 -13.030 214 HA ILE 26 HA ILE 26 -18.907 3.523 -12.748 215 HB ILE 26 HB ILE 26 -18.896 1.425 -14.919 216 HG12 ILE 26 HG12 ILE 26 -17.531 4.124 -14.884 217 HG13 ILE 26 HG13 ILE 26 -16.706 2.586 -14.657 218 HG21 ILE 26 HG21 ILE 26 -20.104 4.178 -14.744 219 HG22 ILE 26 HG22 ILE 26 -19.959 3.259 -16.242 220 HG23 ILE 26 HG23 ILE 26 -20.951 2.642 -14.921 221 HD11 ILE 26 HD11 ILE 26 -18.096 3.578 -17.126 222 HD12 ILE 26 HD12 ILE 26 -16.379 3.241 -16.905 223 HD13 ILE 26 HD13 ILE 26 -17.543 1.917 -16.919 224 H GLY 27 H GLY 27 -19.063 0.116 -12.194 225 HA2 GLY 27 HA2 GLY 27 -20.707 -1.109 -11.128 226 HA3 GLY 27 HA3 GLY 27 -21.660 0.362 -10.997 227 H HIS 28 H HIS 28 -20.430 -0.860 -14.039 228 HA HIS 28 HA HIS 28 -22.926 -0.732 -15.315 229 HB2 HIS 28 HB2 HIS 28 -20.248 -1.836 -15.998 230 HB3 HIS 28 HB3 HIS 28 -21.618 -2.378 -16.964 231 HD1 HIS 28 HD1 HIS 28 -23.174 -0.109 -17.732 232 HD2 HIS 28 HD2 HIS 28 -19.085 0.311 -17.127 233 HE1 HIS 28 HE1 HIS 28 -22.520 1.974 -18.981 234 HA PRO 29 HA PRO 29 -24.947 -4.507 -14.362 235 HB2 PRO 29 HB2 PRO 29 -26.158 -5.098 -16.719 236 HB3 PRO 29 HB3 PRO 29 -26.690 -3.779 -15.670 237 HG2 PRO 29 HG2 PRO 29 -24.978 -3.675 -18.123 238 HG3 PRO 29 HG3 PRO 29 -26.303 -2.601 -17.637 239 HD2 PRO 29 HD2 PRO 29 -23.697 -1.943 -17.305 240 HD3 PRO 29 HD3 PRO 29 -24.968 -1.403 -16.189 241 H SER 30 H SER 30 -25.283 -6.804 -15.207 242 HA SER 30 HA SER 30 -22.832 -7.740 -16.551 243 HB2 SER 30 HB2 SER 30 -22.825 -9.697 -15.111 244 HB3 SER 30 HB3 SER 30 -22.845 -8.244 -14.112 245 HG SER 30 HG SER 30 -24.505 -9.180 -13.220 246 H HIS 31 H HIS 31 -25.634 -7.148 -17.501 247 HA HIS 31 HA HIS 31 -27.091 -9.441 -18.037 248 HB2 HIS 31 HB2 HIS 31 -27.554 -6.916 -18.584 249 HB3 HIS 31 HB3 HIS 31 -26.830 -7.321 -20.138 250 HD1 HIS 31 HD1 HIS 31 -29.758 -8.272 -17.946 251 HD2 HIS 31 HD2 HIS 31 -28.486 -8.636 -21.884 252 HE1 HIS 31 HE1 HIS 31 -31.726 -9.202 -19.205 253 H LYS 32 H LYS 32 -27.360 -10.483 -20.220 254 HA LYS 32 HA LYS 32 -25.053 -11.867 -20.936 255 HB2 LYS 32 HB2 LYS 32 -27.581 -11.427 -22.536 256 HB3 LYS 32 HB3 LYS 32 -26.351 -12.626 -22.916 257 HG2 LYS 32 HG2 LYS 32 -26.783 -13.482 -20.515 258 HG3 LYS 32 HG3 LYS 32 -28.284 -12.562 -20.639 259 HD2 LYS 32 HD2 LYS 32 -27.482 -14.494 -22.786 260 HD3 LYS 32 HD3 LYS 32 -28.291 -15.054 -21.320 261 HE2 LYS 32 HE2 LYS 32 -30.202 -13.707 -21.768 262 HE3 LYS 32 HE3 LYS 32 -29.373 -12.855 -23.070 263 HZ1 LYS 32 HZ1 LYS 32 -29.644 -15.758 -23.296 264 HZ2 LYS 32 HZ2 LYS 32 -29.658 -14.575 -24.505 265 HZ3 LYS 32 HZ3 LYS 32 -31.030 -14.820 -23.547 266 H GLN 33 H GLN 33 -23.823 -11.854 -22.900 267 HA GLN 33 HA GLN 33 -22.751 -9.396 -23.592 268 HB2 GLN 33 HB2 GLN 33 -21.558 -11.460 -24.008 269 HB3 GLN 33 HB3 GLN 33 -22.779 -11.976 -25.163 270 HG2 GLN 33 HG2 GLN 33 -22.099 -10.424 -26.762 271 HG3 GLN 33 HG3 GLN 33 -21.216 -9.458 -25.580 272 HE21 GLN 33 HE21 GLN 33 -20.496 -10.874 -28.160 273 HE22 GLN 33 HE22 GLN 33 -19.076 -11.773 -27.760 274 H THR 34 H THR 34 -23.075 -7.932 -25.215 275 HA THR 34 HA THR 34 -25.534 -8.285 -26.801 276 HB THR 34 HB THR 34 -25.220 -5.639 -26.934 277 HG1 THR 34 HG1 THR 34 -23.497 -5.303 -25.644 278 HG21 THR 34 HG21 THR 34 -27.070 -5.520 -25.617 279 HG22 THR 34 HG22 THR 34 -26.366 -6.527 -24.352 280 HG23 THR 34 HG23 THR 34 -27.023 -7.272 -25.808 281 HA PRO 35 HA PRO 35 -23.302 -7.874 -30.557 282 HB2 PRO 35 HB2 PRO 35 -24.995 -6.388 -32.073 283 HB3 PRO 35 HB3 PRO 35 -25.309 -8.077 -31.657 284 HG2 PRO 35 HG2 PRO 35 -26.397 -5.585 -30.406 285 HG3 PRO 35 HG3 PRO 35 -27.241 -7.089 -30.821 286 HD2 PRO 35 HD2 PRO 35 -26.441 -6.516 -28.298 287 HD3 PRO 35 HD3 PRO 35 -26.500 -8.175 -28.928 288 H ALA 36 H ALA 36 -24.232 -5.033 -28.819 289 HA ALA 36 HA ALA 36 -22.857 -3.153 -30.490 290 HB1 ALA 36 HB1 ALA 36 -24.765 -2.531 -29.045 291 HB2 ALA 36 HB2 ALA 36 -23.751 -2.819 -27.631 292 HB3 ALA 36 HB3 ALA 36 -23.335 -1.537 -28.768 293 H ASP 37 H ASP 37 -22.006 -5.204 -27.821 294 HA ASP 37 HA ASP 37 -19.767 -3.919 -26.804 295 HB2 ASP 37 HB2 ASP 37 -20.601 -6.784 -27.010 296 HB3 ASP 37 HB3 ASP 37 -18.967 -6.412 -26.468 297 H HIS 38 H HIS 38 -20.182 -5.650 -29.793 298 HA HIS 38 HA HIS 38 -17.585 -6.296 -30.472 299 HB2 HIS 38 HB2 HIS 38 -19.618 -6.869 -31.799 300 HB3 HIS 38 HB3 HIS 38 -19.677 -5.202 -32.364 301 HD1 HIS 38 HD1 HIS 38 -17.943 -8.431 -32.902 302 HD2 HIS 38 HD2 HIS 38 -17.615 -4.494 -34.188 303 HE1 HIS 38 HE1 HIS 38 -16.404 -8.499 -34.890 304 H ALA 39 H ALA 39 -19.246 -3.190 -30.798 305 HA ALA 39 HA ALA 39 -17.323 -1.793 -32.237 306 HB1 ALA 39 HB1 ALA 39 -19.677 -1.067 -31.533 307 HB2 ALA 39 HB2 ALA 39 -18.915 -0.511 -30.042 308 HB3 ALA 39 HB3 ALA 39 -18.417 0.166 -31.592 309 H ALA 40 H ALA 40 -17.367 -2.749 -28.893 310 HA ALA 40 HA ALA 40 -15.430 -0.945 -27.908 311 HB1 ALA 40 HB1 ALA 40 -17.059 -2.690 -26.722 312 HB2 ALA 40 HB2 ALA 40 -15.582 -3.655 -26.725 313 HB3 ALA 40 HB3 ALA 40 -15.600 -2.072 -25.946 314 H ILE 41 H ILE 41 -15.201 -3.983 -29.624 315 HA ILE 41 HA ILE 41 -12.516 -4.597 -29.069 316 HB ILE 41 HB ILE 41 -14.080 -5.229 -31.575 317 HG12 ILE 41 HG12 ILE 41 -13.662 -6.960 -29.133 318 HG13 ILE 41 HG13 ILE 41 -15.101 -5.978 -29.389 319 HG21 ILE 41 HG21 ILE 41 -11.564 -6.428 -30.428 320 HG22 ILE 41 HG22 ILE 41 -12.490 -7.131 -31.752 321 HG23 ILE 41 HG23 ILE 41 -11.731 -5.552 -31.949 322 HD11 ILE 41 HD11 ILE 41 -14.431 -8.571 -30.441 323 HD12 ILE 41 HD12 ILE 41 -15.974 -7.717 -30.439 324 HD13 ILE 41 HD13 ILE 41 -14.812 -7.435 -31.735 325 H GLU 42 H GLU 42 -13.965 -2.270 -31.183 326 HA GLU 42 HA GLU 42 -11.991 -1.876 -33.083 327 HB2 GLU 42 HB2 GLU 42 -14.074 -0.721 -33.292 328 HB3 GLU 42 HB3 GLU 42 -13.848 0.093 -31.751 329 HG2 GLU 42 HG2 GLU 42 -12.301 1.575 -32.605 330 HG3 GLU 42 HG3 GLU 42 -11.890 0.525 -33.960 331 H ALA 43 H ALA 43 -12.367 0.020 -30.081 332 HA ALA 43 HA ALA 43 -9.873 1.303 -30.264 333 HB1 ALA 43 HB1 ALA 43 -11.762 2.081 -28.867 334 HB2 ALA 43 HB2 ALA 43 -11.451 0.747 -27.756 335 HB3 ALA 43 HB3 ALA 43 -10.235 2.003 -27.989 336 H LEU 44 H LEU 44 -10.845 -1.749 -28.826 337 HA LEU 44 HA LEU 44 -8.628 -2.293 -27.246 338 HB2 LEU 44 HB2 LEU 44 -10.447 -4.094 -28.818 339 HB3 LEU 44 HB3 LEU 44 -9.166 -4.721 -27.782 340 HG LEU 44 HG LEU 44 -11.495 -3.038 -26.860 341 HD11 LEU 44 HD11 LEU 44 -12.608 -4.970 -27.056 342 HD12 LEU 44 HD12 LEU 44 -11.699 -5.456 -25.625 343 HD13 LEU 44 HD13 LEU 44 -11.131 -5.918 -27.229 344 HD21 LEU 44 HD21 LEU 44 -9.924 -2.580 -25.270 345 HD22 LEU 44 HD22 LEU 44 -9.051 -4.089 -25.535 346 HD23 LEU 44 HD23 LEU 44 -10.561 -4.092 -24.624 347 H ASP 45 H ASP 45 -9.050 -2.567 -30.715 348 HA ASP 45 HA ASP 45 -6.852 -4.134 -31.372 349 HB2 ASP 45 HB2 ASP 45 -8.675 -3.292 -32.923 350 HB3 ASP 45 HB3 ASP 45 -7.795 -1.768 -32.993 351 H ARG 46 H ARG 46 -7.004 -0.846 -30.288 352 HA ARG 46 HA ARG 46 -4.456 -0.006 -31.213 353 HB2 ARG 46 HB2 ARG 46 -6.321 1.506 -30.466 354 HB3 ARG 46 HB3 ARG 46 -5.960 1.036 -28.811 355 HG2 ARG 46 HG2 ARG 46 -4.805 3.010 -29.002 356 HG3 ARG 46 HG3 ARG 46 -3.554 1.830 -29.396 357 HD2 ARG 46 HD2 ARG 46 -3.356 3.497 -31.037 358 HD3 ARG 46 HD3 ARG 46 -4.217 2.176 -31.827 359 HE ARG 46 HE ARG 46 -6.055 3.532 -32.023 360 HH11 ARG 46 HH11 ARG 46 -3.805 4.956 -29.780 361 HH12 ARG 46 HH12 ARG 46 -4.665 6.456 -29.669 362 HH21 ARG 46 HH21 ARG 46 -7.196 5.502 -31.884 363 HH22 ARG 46 HH22 ARG 46 -6.593 6.766 -30.865 364 H LEU 47 H LEU 47 -5.514 -0.813 -27.899 365 HA LEU 47 HA LEU 47 -2.937 -0.912 -26.802 366 HB2 LEU 47 HB2 LEU 47 -3.922 -1.736 -24.870 367 HB3 LEU 47 HB3 LEU 47 -5.210 -0.803 -25.629 368 HG LEU 47 HG LEU 47 -5.817 -3.204 -26.617 369 HD11 LEU 47 HD11 LEU 47 -4.729 -4.887 -25.675 370 HD12 LEU 47 HD12 LEU 47 -5.379 -4.411 -24.106 371 HD13 LEU 47 HD13 LEU 47 -3.829 -3.769 -24.650 372 HD21 LEU 47 HD21 LEU 47 -6.529 -2.037 -23.938 373 HD22 LEU 47 HD22 LEU 47 -7.331 -3.459 -24.605 374 HD23 LEU 47 HD23 LEU 47 -7.419 -1.916 -25.455 375 H LEU 48 H LEU 48 -4.847 -3.318 -28.474 376 HA LEU 48 HA LEU 48 -3.317 -5.584 -27.750 377 HB2 LEU 48 HB2 LEU 48 -5.100 -5.021 -30.107 378 HB3 LEU 48 HB3 LEU 48 -4.341 -6.586 -29.823 379 HG LEU 48 HG LEU 48 -6.167 -5.304 -27.807 380 HD11 LEU 48 HD11 LEU 48 -7.978 -5.812 -28.983 381 HD12 LEU 48 HD12 LEU 48 -7.386 -7.444 -29.293 382 HD13 LEU 48 HD13 LEU 48 -6.929 -6.122 -30.367 383 HD21 LEU 48 HD21 LEU 48 -4.572 -7.216 -27.241 384 HD22 LEU 48 HD22 LEU 48 -5.602 -8.218 -28.263 385 HD23 LEU 48 HD23 LEU 48 -6.274 -7.432 -26.834 386 H LEU 49 H LEU 49 -3.321 -3.643 -30.743 387 HA LEU 49 HA LEU 49 -1.155 -4.926 -31.963 388 HB2 LEU 49 HB2 LEU 49 -2.450 -2.257 -32.267 389 HB3 LEU 49 HB3 LEU 49 -0.932 -2.577 -33.104 390 HG LEU 49 HG LEU 49 -3.288 -4.405 -33.428 391 HD11 LEU 49 HD11 LEU 49 -3.990 -2.063 -33.909 392 HD12 LEU 49 HD12 LEU 49 -4.050 -3.138 -35.305 393 HD13 LEU 49 HD13 LEU 49 -2.724 -1.988 -35.135 394 HD21 LEU 49 HD21 LEU 49 -2.177 -4.731 -35.652 395 HD22 LEU 49 HD22 LEU 49 -1.240 -5.282 -34.263 396 HD23 LEU 49 HD23 LEU 49 -0.836 -3.756 -35.051 397 H ASP 50 H ASP 50 -1.273 -2.128 -29.805 398 HA ASP 50 HA ASP 50 1.427 -1.393 -29.973 399 HB2 ASP 50 HB2 ASP 50 -0.713 -0.999 -27.907 400 HB3 ASP 50 HB3 ASP 50 0.943 -0.507 -27.563 401 H VAL 51 H VAL 51 -0.183 -3.302 -27.421 402 HA VAL 51 HA VAL 51 2.147 -4.049 -26.067 403 HB VAL 51 HB VAL 51 -0.462 -5.562 -26.255 404 HG11 VAL 51 HG11 VAL 51 2.019 -5.993 -24.710 405 HG12 VAL 51 HG12 VAL 51 0.501 -6.175 -23.829 406 HG13 VAL 51 HG13 VAL 51 0.810 -7.151 -25.265 407 HG21 VAL 51 HG21 VAL 51 0.055 -3.047 -25.175 408 HG22 VAL 51 HG22 VAL 51 -1.358 -4.059 -24.878 409 HG23 VAL 51 HG23 VAL 51 0.028 -4.140 -23.791 410 H ARG 52 H ARG 52 0.583 -5.411 -28.885 411 HA ARG 52 HA ARG 52 2.070 -7.853 -28.888 412 HB2 ARG 52 HB2 ARG 52 -0.160 -7.497 -30.009 413 HB3 ARG 52 HB3 ARG 52 0.679 -6.548 -31.229 414 HG2 ARG 52 HG2 ARG 52 0.550 -8.610 -32.233 415 HG3 ARG 52 HG3 ARG 52 2.151 -8.670 -31.493 416 HD2 ARG 52 HD2 ARG 52 0.771 -9.663 -29.464 417 HD3 ARG 52 HD3 ARG 52 -0.348 -10.102 -30.754 418 HE ARG 52 HE ARG 52 2.153 -10.925 -31.587 419 HH11 ARG 52 HH11 ARG 52 -0.002 -11.592 -28.935 420 HH12 ARG 52 HH12 ARG 52 0.549 -13.221 -28.726 421 HH21 ARG 52 HH21 ARG 52 2.887 -13.068 -31.321 422 HH22 ARG 52 HH22 ARG 52 2.193 -14.059 -30.083 423 H ALA 53 H ALA 53 2.534 -4.653 -30.204 424 HA ALA 53 HA ALA 53 4.869 -5.522 -31.733 425 HB1 ALA 53 HB1 ALA 53 3.035 -3.830 -32.513 426 HB2 ALA 53 HB2 ALA 53 3.993 -2.675 -31.585 427 HB3 ALA 53 HB3 ALA 53 4.730 -3.559 -32.921 428 H ARG 54 H ARG 54 4.747 -5.448 -28.748 429 HA ARG 54 HA ARG 54 6.029 -4.824 -26.973 430 HB2 ARG 54 HB2 ARG 54 8.023 -4.425 -29.208 431 HB3 ARG 54 HB3 ARG 54 8.441 -4.393 -27.501 432 HG2 ARG 54 HG2 ARG 54 7.777 -6.693 -27.246 433 HG3 ARG 54 HG3 ARG 54 7.197 -6.742 -28.912 434 HD2 ARG 54 HD2 ARG 54 10.028 -5.972 -28.374 435 HD3 ARG 54 HD3 ARG 54 9.568 -7.672 -28.284 436 HE ARG 54 HE ARG 54 8.593 -6.597 -30.683 437 HH11 ARG 54 HH11 ARG 54 11.611 -7.421 -29.156 438 HH12 ARG 54 HH12 ARG 54 12.429 -7.741 -30.649 439 HH21 ARG 54 HH21 ARG 54 9.659 -7.016 -32.656 440 HH22 ARG 54 HH22 ARG 54 11.319 -7.510 -32.639 441 H ARG 55 H ARG 55 4.321 -2.868 -27.502 442 HA ARG 55 HA ARG 55 5.931 -0.410 -27.285 443 HB2 ARG 55 HB2 ARG 55 3.248 -0.814 -28.608 444 HB3 ARG 55 HB3 ARG 55 3.905 0.771 -28.224 445 HG2 ARG 55 HG2 ARG 55 5.883 0.211 -29.637 446 HG3 ARG 55 HG3 ARG 55 5.045 -1.263 -30.123 447 HD2 ARG 55 HD2 ARG 55 3.109 0.438 -30.684 448 HD3 ARG 55 HD3 ARG 55 4.451 1.576 -30.790 449 HE ARG 55 HE ARG 55 5.070 -0.722 -32.283 450 HH11 ARG 55 HH11 ARG 55 2.932 2.025 -32.342 451 HH12 ARG 55 HH12 ARG 55 2.812 2.059 -34.070 452 HH21 ARG 55 HH21 ARG 55 4.919 -0.688 -34.559 453 HH22 ARG 55 HH22 ARG 55 3.942 0.515 -35.330 454 H VAL 56 H VAL 56 4.901 -2.289 -25.223 455 HA VAL 56 HA VAL 56 2.843 -0.743 -23.864 456 HB VAL 56 HB VAL 56 2.762 -3.228 -23.864 457 HG11 VAL 56 HG11 VAL 56 5.387 -3.232 -23.493 458 HG12 VAL 56 HG12 VAL 56 4.895 -3.333 -21.801 459 HG13 VAL 56 HG13 VAL 56 4.366 -4.563 -22.949 460 HG21 VAL 56 HG21 VAL 56 2.080 -1.503 -21.889 461 HG22 VAL 56 HG22 VAL 56 1.701 -3.225 -21.877 462 HG23 VAL 56 HG23 VAL 56 3.114 -2.627 -21.008 463 H ASP 57 H ASP 57 3.099 0.170 -21.799 464 HA ASP 57 HA ASP 57 5.841 0.441 -20.801 465 HB2 ASP 57 HB2 ASP 57 5.421 2.892 -20.433 466 HB3 ASP 57 HB3 ASP 57 5.565 2.421 -22.124 467 H GLN 58 H GLN 58 5.879 1.453 -18.595 468 HA GLN 58 HA GLN 58 3.707 0.309 -17.014 469 HB2 GLN 58 HB2 GLN 58 5.212 0.538 -15.112 470 HB3 GLN 58 HB3 GLN 58 6.016 -0.299 -16.433 471 HG2 GLN 58 HG2 GLN 58 6.815 2.163 -17.002 472 HG3 GLN 58 HG3 GLN 58 6.545 2.373 -15.273 473 HE21 GLN 58 HE21 GLN 58 8.221 1.974 -14.034 474 HE22 GLN 58 HE22 GLN 58 9.546 0.931 -14.410 475 H PHE 59 H PHE 59 2.447 1.467 -15.605 476 HA PHE 59 HA PHE 59 2.900 4.154 -14.871 477 HB2 PHE 59 HB2 PHE 59 2.310 4.392 -17.332 478 HB3 PHE 59 HB3 PHE 59 0.694 3.839 -16.905 479 HD1 PHE 59 HD2 PHE 59 3.197 6.381 -15.810 480 HD2 PHE 59 HD1 PHE 59 -0.898 5.431 -16.476 481 HE1 PHE 59 HE2 PHE 59 2.570 8.685 -15.220 482 HE2 PHE 59 HE1 PHE 59 -1.532 7.734 -15.889 483 HZ PHE 59 HZ PHE 59 0.203 9.365 -15.258 484 H GLN 60 H GLN 60 1.423 4.881 -13.343 485 HA GLN 60 HA GLN 60 -0.730 2.996 -12.649 486 HB2 GLN 60 HB2 GLN 60 -0.289 3.555 -10.260 487 HB3 GLN 60 HB3 GLN 60 1.030 2.693 -11.041 488 HG2 GLN 60 HG2 GLN 60 2.348 4.646 -11.188 489 HG3 GLN 60 HG3 GLN 60 0.986 5.682 -10.763 490 HE21 GLN 60 HE21 GLN 60 0.162 5.554 -8.596 491 HE22 GLN 60 HE22 GLN 60 1.212 5.103 -7.301 492 H ILE 61 H ILE 61 -2.176 4.166 -10.864 493 HA ILE 61 HA ILE 61 -3.274 6.468 -12.213 494 HB ILE 61 HB ILE 61 -5.100 6.334 -10.646 495 HG12 ILE 61 HG12 ILE 61 -3.436 4.265 -9.195 496 HG13 ILE 61 HG13 ILE 61 -3.801 5.886 -8.613 497 HG21 ILE 61 HG21 ILE 61 -5.954 4.631 -11.785 498 HG22 ILE 61 HG22 ILE 61 -4.332 4.280 -12.379 499 HG23 ILE 61 HG23 ILE 61 -4.931 3.478 -10.928 500 HD11 ILE 61 HD11 ILE 61 -5.620 3.530 -8.884 501 HD12 ILE 61 HD12 ILE 61 -5.293 4.532 -7.469 502 HD13 ILE 61 HD13 ILE 61 -6.258 5.172 -8.800 503 H ASN 62 H ASN 62 -0.793 6.149 -10.123 504 HA ASN 62 HA ASN 62 0.370 7.597 -8.809 505 HB2 ASN 62 HB2 ASN 62 -1.536 9.786 -9.612 506 HB3 ASN 62 HB3 ASN 62 0.172 9.913 -9.203 507 HD21 ASN 62 HD21 ASN 62 -2.079 9.658 -11.676 508 HD22 ASN 62 HD22 ASN 62 -0.989 9.365 -12.985 509 H ALA 63 H ALA 63 -1.137 6.106 -7.329 510 HA ALA 63 HA ALA 63 -1.922 7.813 -5.149 511 HB1 ALA 63 HB1 ALA 63 -3.928 7.329 -6.882 512 HB2 ALA 63 HB2 ALA 63 -4.098 5.940 -5.808 513 HB3 ALA 63 HB3 ALA 63 -4.163 7.576 -5.151 514 H SER 64 H SER 64 -3.252 6.066 -3.550 515 HA SER 64 HA SER 64 -1.217 4.005 -3.105 516 HB2 SER 64 HB2 SER 64 -2.076 3.915 -0.805 517 HB3 SER 64 HB3 SER 64 -1.642 5.565 -1.249 518 HG SER 64 HG SER 64 -4.102 4.485 -0.647 519 H ALA 65 H ALA 65 -3.009 3.468 -5.150 520 HA ALA 65 HA ALA 65 -4.772 1.424 -3.966 521 HB1 ALA 65 HB1 ALA 65 -5.629 3.418 -5.490 522 HB2 ALA 65 HB2 ALA 65 -5.168 2.298 -6.773 523 HB3 ALA 65 HB3 ALA 65 -6.350 1.810 -5.560 524 H ALA 66 H ALA 66 -5.281 -0.190 -6.038 525 HA ALA 66 HA ALA 66 -2.926 -1.759 -6.235 526 HB1 ALA 66 HB1 ALA 66 -5.699 -2.092 -6.760 527 HB2 ALA 66 HB2 ALA 66 -4.797 -2.601 -8.188 528 HB3 ALA 66 HB3 ALA 66 -4.446 -3.326 -6.619 529 H GLN 67 H GLN 67 -1.242 -1.178 -7.444 530 HA GLN 67 HA GLN 67 -1.765 -0.123 -10.146 531 HB2 GLN 67 HB2 GLN 67 0.728 0.377 -8.523 532 HB3 GLN 67 HB3 GLN 67 0.236 1.174 -10.012 533 HG2 GLN 67 HG2 GLN 67 -0.853 1.517 -7.248 534 HG3 GLN 67 HG3 GLN 67 -0.207 2.734 -8.348 535 HE21 GLN 67 HE21 GLN 67 -1.568 2.138 -10.653 536 HE22 GLN 67 HE22 GLN 67 -3.253 2.445 -10.425 537 H ILE 68 H ILE 68 -0.008 -0.591 -11.727 538 HA ILE 68 HA ILE 68 1.459 -3.062 -11.174 539 HB ILE 68 HB ILE 68 -0.230 -2.733 -13.654 540 HG12 ILE 68 HG12 ILE 68 -1.370 -4.815 -12.434 541 HG13 ILE 68 HG13 ILE 68 -0.801 -3.965 -11.001 542 HG21 ILE 68 HG21 ILE 68 0.786 -5.363 -12.779 543 HG22 ILE 68 HG22 ILE 68 0.620 -4.690 -14.400 544 HG23 ILE 68 HG23 ILE 68 1.985 -4.222 -13.386 545 HD11 ILE 68 HD11 ILE 68 -3.052 -3.401 -12.712 546 HD12 ILE 68 HD12 ILE 68 -2.668 -2.781 -11.106 547 HD13 ILE 68 HD13 ILE 68 -2.000 -1.996 -12.537 548 H ILE 69 H ILE 69 3.491 -2.392 -11.467 549 HA ILE 69 HA ILE 69 4.122 -0.552 -13.645 550 HB ILE 69 HB ILE 69 5.886 -1.625 -11.441 551 HG12 ILE 69 HG12 ILE 69 5.701 0.985 -10.910 552 HG13 ILE 69 HG13 ILE 69 4.152 0.781 -11.722 553 HG21 ILE 69 HG21 ILE 69 6.543 -0.355 -13.896 554 HG22 ILE 69 HG22 ILE 69 6.882 0.769 -12.581 555 HG23 ILE 69 HG23 ILE 69 7.616 -0.834 -12.581 556 HD11 ILE 69 HD11 ILE 69 3.394 0.239 -9.699 557 HD12 ILE 69 HD12 ILE 69 4.167 -1.321 -9.985 558 HD13 ILE 69 HD13 ILE 69 5.013 -0.071 -9.072 559 H VAL 70 H VAL 70 4.387 -1.517 -15.558 560 HA VAL 70 HA VAL 70 5.125 -4.189 -15.973 561 HB VAL 70 HB VAL 70 5.409 -1.853 -17.867 562 HG11 VAL 70 HG11 VAL 70 6.331 -3.261 -19.313 563 HG12 VAL 70 HG12 VAL 70 6.272 -4.550 -18.109 564 HG13 VAL 70 HG13 VAL 70 4.912 -4.302 -19.205 565 HG21 VAL 70 HG21 VAL 70 3.260 -2.599 -18.767 566 HG22 VAL 70 HG22 VAL 70 3.174 -3.852 -17.529 567 HG23 VAL 70 HG23 VAL 70 3.122 -2.151 -17.067 568 H THR 71 H THR 71 6.977 -4.806 -14.929 569 HA THR 71 HA THR 71 9.463 -3.427 -15.704 570 HB THR 71 HB THR 71 9.268 -3.311 -13.342 571 HG1 THR 71 HG1 THR 71 11.127 -4.362 -12.773 572 HG21 THR 71 HG21 THR 71 7.740 -4.752 -12.496 573 HG22 THR 71 HG22 THR 71 9.160 -5.756 -12.202 574 HG23 THR 71 HG23 THR 71 8.165 -6.033 -13.631 575 H ASP 72 H ASP 72 9.331 -4.712 -17.709 576 HA ASP 72 HA ASP 72 10.016 -7.542 -17.363 577 HB2 ASP 72 HB2 ASP 72 9.390 -7.880 -19.616 578 HB3 ASP 72 HB3 ASP 72 8.185 -6.769 -18.970 Start of MODEL 17 1 H1 MET 1 H MET 1 -0.278 -0.877 1.232 2 HA MET 1 HA MET 1 0.284 -0.490 -1.413 3 HB2 MET 1 HB2 MET 1 1.707 -0.114 0.782 4 HB3 MET 1 HB3 MET 1 2.444 -1.636 0.302 5 HG2 MET 1 HG2 MET 1 3.221 -0.730 -1.733 6 HG3 MET 1 HG3 MET 1 2.224 0.712 -1.553 7 HE1 MET 1 HE1 MET 1 6.148 -0.508 -0.399 8 HE2 MET 1 HE2 MET 1 5.231 -0.470 -1.905 9 HE3 MET 1 HE3 MET 1 6.214 0.918 -1.436 10 H ASP 2 H ASP 2 0.166 -1.809 -3.096 11 HA ASP 2 HA ASP 2 1.266 -4.512 -2.868 12 HB2 ASP 2 HB2 ASP 2 -1.342 -4.358 -2.630 13 HB3 ASP 2 HB3 ASP 2 -1.295 -4.135 -4.377 14 H ARG 3 H ARG 3 2.783 -4.689 -4.367 15 HA ARG 3 HA ARG 3 2.548 -3.113 -6.830 16 HB2 ARG 3 HB2 ARG 3 4.993 -4.596 -5.877 17 HB3 ARG 3 HB3 ARG 3 4.906 -3.304 -7.067 18 HG2 ARG 3 HG2 ARG 3 4.381 -1.696 -5.356 19 HG3 ARG 3 HG3 ARG 3 4.293 -2.971 -4.139 20 HD2 ARG 3 HD2 ARG 3 6.781 -2.467 -5.745 21 HD3 ARG 3 HD3 ARG 3 6.441 -1.592 -4.253 22 HE ARG 3 HE ARG 3 6.165 -4.288 -3.680 23 HH11 ARG 3 HH11 ARG 3 8.676 -2.122 -4.741 24 HH12 ARG 3 HH12 ARG 3 9.953 -3.033 -4.004 25 HH21 ARG 3 HH21 ARG 3 7.837 -5.496 -2.706 26 HH22 ARG 3 HH22 ARG 3 9.475 -4.952 -2.848 27 H ILE 4 H ILE 4 2.611 -4.039 -8.843 28 HA ILE 4 HA ILE 4 2.754 -6.971 -8.984 29 HB ILE 4 HB ILE 4 0.663 -5.273 -10.351 30 HG12 ILE 4 HG12 ILE 4 -0.335 -7.440 -8.731 31 HG13 ILE 4 HG13 ILE 4 0.708 -6.399 -7.769 32 HG21 ILE 4 HG21 ILE 4 1.395 -7.088 -11.782 33 HG22 ILE 4 HG22 ILE 4 1.163 -8.243 -10.471 34 HG23 ILE 4 HG23 ILE 4 -0.227 -7.414 -11.171 35 HD11 ILE 4 HD11 ILE 4 -0.689 -4.475 -8.766 36 HD12 ILE 4 HD12 ILE 4 -1.852 -5.743 -9.154 37 HD13 ILE 4 HD13 ILE 4 -1.378 -5.462 -7.479 38 H PHE 5 H PHE 5 4.517 -7.334 -10.168 39 HA PHE 5 HA PHE 5 5.002 -5.651 -12.531 40 HB2 PHE 5 HB2 PHE 5 6.929 -7.421 -11.013 41 HB3 PHE 5 HB3 PHE 5 7.335 -6.424 -12.405 42 HD1 PHE 5 HD1 PHE 5 6.164 -6.300 -8.898 43 HD2 PHE 5 HD2 PHE 5 7.882 -4.159 -12.151 44 HE1 PHE 5 HE1 PHE 5 6.649 -4.412 -7.396 45 HE2 PHE 5 HE2 PHE 5 8.370 -2.269 -10.654 46 HZ PHE 5 HZ PHE 5 7.754 -2.394 -8.273 47 H MET 6 H MET 6 4.597 -6.501 -14.455 48 HA MET 6 HA MET 6 4.841 -9.411 -14.799 49 HB2 MET 6 HB2 MET 6 2.475 -7.720 -15.173 50 HB3 MET 6 HB3 MET 6 2.846 -8.732 -16.563 51 HG2 MET 6 HG2 MET 6 1.343 -9.948 -15.215 52 HG3 MET 6 HG3 MET 6 2.928 -10.686 -14.997 53 HE1 MET 6 HE1 MET 6 1.043 -11.627 -13.419 54 HE2 MET 6 HE2 MET 6 1.471 -11.435 -11.718 55 HE3 MET 6 HE3 MET 6 0.107 -10.541 -12.392 56 H THR 7 H THR 7 5.297 -10.104 -16.960 57 HA THR 7 HA THR 7 7.050 -8.296 -18.345 58 HB THR 7 HB THR 7 7.658 -10.133 -19.730 59 HG1 THR 7 HG1 THR 7 6.406 -12.082 -19.705 60 HG21 THR 7 HG21 THR 7 7.022 -11.260 -17.000 61 HG22 THR 7 HG22 THR 7 8.427 -10.266 -17.384 62 HG23 THR 7 HG23 THR 7 8.243 -11.856 -18.123 63 H ARG 8 H ARG 8 6.863 -8.602 -20.928 64 HA ARG 8 HA ARG 8 4.795 -6.956 -21.763 65 HB2 ARG 8 HB2 ARG 8 5.374 -7.742 -24.076 66 HB3 ARG 8 HB3 ARG 8 6.745 -7.181 -23.127 67 HG2 ARG 8 HG2 ARG 8 7.240 -9.567 -22.578 68 HG3 ARG 8 HG3 ARG 8 5.981 -10.027 -23.727 69 HD2 ARG 8 HD2 ARG 8 7.181 -9.227 -25.552 70 HD3 ARG 8 HD3 ARG 8 8.201 -8.195 -24.550 71 HE ARG 8 HE ARG 8 8.650 -10.942 -25.208 72 HH11 ARG 8 HH11 ARG 8 9.201 -8.485 -22.804 73 HH12 ARG 8 HH12 ARG 8 10.625 -9.242 -22.169 74 HH21 ARG 8 HH21 ARG 8 10.523 -11.948 -24.381 75 HH22 ARG 8 HH22 ARG 8 11.377 -11.211 -23.068 76 H THR 9 H THR 9 5.038 -10.493 -21.963 77 HA THR 9 HA THR 9 2.482 -10.823 -23.186 78 HB THR 9 HB THR 9 4.027 -12.917 -21.653 79 HG1 THR 9 HG1 THR 9 4.205 -12.506 -24.448 80 HG21 THR 9 HG21 THR 9 2.249 -14.161 -22.198 81 HG22 THR 9 HG22 THR 9 2.806 -14.051 -23.867 82 HG23 THR 9 HG23 THR 9 1.607 -12.910 -23.260 83 H GLU 10 H GLU 10 3.691 -11.338 -19.877 84 HA GLU 10 HA GLU 10 1.261 -12.161 -18.751 85 HB2 GLU 10 HB2 GLU 10 3.465 -10.636 -17.355 86 HB3 GLU 10 HB3 GLU 10 2.262 -11.673 -16.602 87 HG2 GLU 10 HG2 GLU 10 4.326 -12.631 -18.569 88 HG3 GLU 10 HG3 GLU 10 4.512 -12.697 -16.818 89 H ALA 11 H ALA 11 2.308 -9.079 -19.800 90 HA ALA 11 HA ALA 11 1.016 -7.296 -18.150 91 HB1 ALA 11 HB1 ALA 11 0.941 -6.934 -21.122 92 HB2 ALA 11 HB2 ALA 11 1.188 -5.729 -19.858 93 HB3 ALA 11 HB3 ALA 11 2.468 -6.881 -20.241 94 H LEU 12 H LEU 12 -0.360 -9.496 -20.472 95 HA LEU 12 HA LEU 12 -2.825 -8.399 -20.991 96 HB2 LEU 12 HB2 LEU 12 -2.172 -11.290 -20.440 97 HB3 LEU 12 HB3 LEU 12 -3.656 -10.716 -21.199 98 HG LEU 12 HG LEU 12 -1.060 -9.994 -22.463 99 HD11 LEU 12 HD11 LEU 12 -0.918 -12.088 -23.633 100 HD12 LEU 12 HD12 LEU 12 -2.349 -12.697 -22.802 101 HD13 LEU 12 HD13 LEU 12 -0.865 -12.398 -21.898 102 HD21 LEU 12 HD21 LEU 12 -2.972 -10.917 -24.294 103 HD22 LEU 12 HD22 LEU 12 -2.500 -9.247 -23.978 104 HD23 LEU 12 HD23 LEU 12 -3.857 -9.961 -23.105 105 H GLU 13 H GLU 13 -1.893 -10.363 -18.180 106 HA GLU 13 HA GLU 13 -4.333 -10.540 -16.904 107 HB2 GLU 13 HB2 GLU 13 -1.544 -10.305 -15.783 108 HB3 GLU 13 HB3 GLU 13 -2.949 -10.580 -14.763 109 HG2 GLU 13 HG2 GLU 13 -2.408 -12.383 -17.079 110 HG3 GLU 13 HG3 GLU 13 -1.525 -12.587 -15.567 111 H PHE 14 H PHE 14 -1.995 -7.892 -16.845 112 HA PHE 14 HA PHE 14 -3.375 -6.334 -14.912 113 HB2 PHE 14 HB2 PHE 14 -1.061 -5.874 -15.234 114 HB3 PHE 14 HB3 PHE 14 -1.275 -5.656 -16.968 115 HD1 PHE 14 HD2 PHE 14 -3.253 -4.250 -14.154 116 HD2 PHE 14 HD1 PHE 14 -0.586 -3.483 -17.382 117 HE1 PHE 14 HE2 PHE 14 -3.538 -1.831 -13.810 118 HE2 PHE 14 HE1 PHE 14 -0.866 -1.062 -17.042 119 HZ PHE 14 HZ PHE 14 -2.345 -0.233 -15.256 120 H LEU 15 H LEU 15 -3.226 -6.194 -18.461 121 HA LEU 15 HA LEU 15 -4.824 -3.990 -18.905 122 HB2 LEU 15 HB2 LEU 15 -4.796 -6.523 -20.538 123 HB3 LEU 15 HB3 LEU 15 -5.308 -4.929 -21.089 124 HG LEU 15 HG LEU 15 -2.495 -5.610 -20.241 125 HD11 LEU 15 HD11 LEU 15 -3.167 -6.868 -22.242 126 HD12 LEU 15 HD12 LEU 15 -1.944 -5.649 -22.598 127 HD13 LEU 15 HD13 LEU 15 -3.630 -5.355 -23.022 128 HD21 LEU 15 HD21 LEU 15 -1.931 -3.495 -21.306 129 HD22 LEU 15 HD22 LEU 15 -3.101 -3.249 -20.009 130 HD23 LEU 15 HD23 LEU 15 -3.630 -3.222 -21.692 131 H LEU 16 H LEU 16 -5.811 -7.354 -18.389 132 HA LEU 16 HA LEU 16 -8.615 -6.707 -18.605 133 HB2 LEU 16 HB2 LEU 16 -7.450 -8.921 -19.213 134 HB3 LEU 16 HB3 LEU 16 -7.503 -9.255 -17.484 135 HG LEU 16 HG LEU 16 -10.084 -8.692 -17.871 136 HD11 LEU 16 HD11 LEU 16 -10.508 -10.061 -20.108 137 HD12 LEU 16 HD12 LEU 16 -8.972 -9.313 -20.546 138 HD13 LEU 16 HD13 LEU 16 -10.346 -8.305 -20.091 139 HD21 LEU 16 HD21 LEU 16 -8.477 -11.164 -17.967 140 HD22 LEU 16 HD22 LEU 16 -10.143 -11.297 -18.531 141 HD23 LEU 16 HD23 LEU 16 -9.808 -10.712 -16.901 142 H LYS 17 H LYS 17 -6.239 -6.988 -16.097 143 HA LYS 17 HA LYS 17 -7.913 -7.411 -13.884 144 HB2 LYS 17 HB2 LYS 17 -5.557 -7.683 -13.612 145 HB3 LYS 17 HB3 LYS 17 -5.238 -6.040 -14.153 146 HG2 LYS 17 HG2 LYS 17 -6.356 -5.182 -12.137 147 HG3 LYS 17 HG3 LYS 17 -6.599 -6.842 -11.588 148 HD2 LYS 17 HD2 LYS 17 -3.856 -5.867 -12.285 149 HD3 LYS 17 HD3 LYS 17 -4.561 -5.490 -10.711 150 HE2 LYS 17 HE2 LYS 17 -4.607 -8.305 -11.699 151 HE3 LYS 17 HE3 LYS 17 -3.106 -7.646 -11.049 152 HZ1 LYS 17 HZ1 LYS 17 -4.151 -7.217 -8.979 153 HZ2 LYS 17 HZ2 LYS 17 -4.540 -8.808 -9.400 154 HZ3 LYS 17 HZ3 LYS 17 -5.687 -7.579 -9.589 155 H ALA 18 H ALA 18 -6.503 -4.340 -15.038 156 HA ALA 18 HA ALA 18 -7.979 -2.681 -13.323 157 HB1 ALA 18 HB1 ALA 18 -6.685 -1.110 -14.209 158 HB2 ALA 18 HB2 ALA 18 -6.018 -2.339 -15.284 159 HB3 ALA 18 HB3 ALA 18 -7.387 -1.360 -15.808 160 H HIS 19 H HIS 19 -8.760 -4.118 -16.406 161 HA HIS 19 HA HIS 19 -10.940 -2.475 -17.100 162 HB2 HIS 19 HB2 HIS 19 -10.002 -5.197 -17.880 163 HB3 HIS 19 HB3 HIS 19 -11.647 -4.734 -18.306 164 HD1 HIS 19 HD1 HIS 19 -8.899 -2.196 -18.354 165 HD2 HIS 19 HD2 HIS 19 -11.031 -4.558 -21.025 166 HE1 HIS 19 HE1 HIS 19 -8.330 -1.309 -20.637 167 H GLN 20 H GLN 20 -10.634 -5.216 -14.955 168 HA GLN 20 HA GLN 20 -13.403 -5.765 -14.680 169 HB2 GLN 20 HB2 GLN 20 -10.941 -6.472 -13.135 170 HB3 GLN 20 HB3 GLN 20 -12.519 -6.777 -12.421 171 HG2 GLN 20 HG2 GLN 20 -11.793 -7.770 -15.155 172 HG3 GLN 20 HG3 GLN 20 -11.414 -8.679 -13.693 173 HE21 GLN 20 HE21 GLN 20 -12.760 -10.374 -14.277 174 HE22 GLN 20 HE22 GLN 20 -14.482 -10.250 -14.214 175 H THR 21 H THR 21 -11.123 -3.831 -12.771 176 HA THR 21 HA THR 21 -13.099 -3.014 -10.868 177 HB THR 21 HB THR 21 -10.500 -1.576 -11.364 178 HG1 THR 21 HG1 THR 21 -10.949 -4.044 -10.018 179 HG21 THR 21 HG21 THR 21 -11.610 -2.159 -8.670 180 HG22 THR 21 HG22 THR 21 -12.440 -0.951 -9.651 181 HG23 THR 21 HG23 THR 21 -10.735 -0.743 -9.251 182 H ALA 22 H ALA 22 -11.734 -1.658 -13.811 183 HA ALA 22 HA ALA 22 -12.736 0.952 -13.580 184 HB1 ALA 22 HB1 ALA 22 -12.435 1.088 -16.011 185 HB2 ALA 22 HB2 ALA 22 -11.041 0.356 -15.215 186 HB3 ALA 22 HB3 ALA 22 -12.200 -0.659 -16.073 187 H VAL 23 H VAL 23 -14.073 -1.786 -15.443 188 HA VAL 23 HA VAL 23 -16.450 -0.550 -16.213 189 HB VAL 23 HB VAL 23 -15.983 -3.487 -15.676 190 HG11 VAL 23 HG11 VAL 23 -18.287 -3.315 -15.812 191 HG12 VAL 23 HG12 VAL 23 -18.223 -1.984 -16.969 192 HG13 VAL 23 HG13 VAL 23 -17.833 -3.625 -17.488 193 HG21 VAL 23 HG21 VAL 23 -14.775 -3.542 -17.539 194 HG22 VAL 23 HG22 VAL 23 -16.071 -2.764 -18.446 195 HG23 VAL 23 HG23 VAL 23 -14.864 -1.783 -17.617 196 H ASP 24 H ASP 24 -15.531 -2.000 -13.191 197 HA ASP 24 HA ASP 24 -18.209 -2.206 -12.166 198 HB2 ASP 24 HB2 ASP 24 -16.483 -3.721 -11.351 199 HB3 ASP 24 HB3 ASP 24 -15.529 -2.359 -10.770 200 H LYS 25 H LYS 25 -15.609 0.137 -12.057 201 HA LYS 25 HA LYS 25 -16.530 1.744 -9.958 202 HB2 LYS 25 HB2 LYS 25 -14.772 2.186 -12.332 203 HB3 LYS 25 HB3 LYS 25 -15.317 3.587 -11.418 204 HG2 LYS 25 HG2 LYS 25 -14.407 2.467 -9.361 205 HG3 LYS 25 HG3 LYS 25 -13.675 1.270 -10.432 206 HD2 LYS 25 HD2 LYS 25 -12.702 3.359 -11.648 207 HD3 LYS 25 HD3 LYS 25 -13.050 4.180 -10.125 208 HE2 LYS 25 HE2 LYS 25 -10.892 3.482 -9.763 209 HE3 LYS 25 HE3 LYS 25 -11.798 2.131 -9.084 210 HZ1 LYS 25 HZ1 LYS 25 -10.273 1.067 -10.402 211 HZ2 LYS 25 HZ2 LYS 25 -10.273 2.268 -11.592 212 HZ3 LYS 25 HZ3 LYS 25 -11.574 1.193 -11.476 213 H ILE 26 H ILE 26 -17.385 1.667 -13.371 214 HA ILE 26 HA ILE 26 -18.924 4.050 -13.373 215 HB ILE 26 HB ILE 26 -19.220 1.672 -15.210 216 HG12 ILE 26 HG12 ILE 26 -16.906 2.448 -15.194 217 HG13 ILE 26 HG13 ILE 26 -17.683 2.891 -16.710 218 HG21 ILE 26 HG21 ILE 26 -20.057 3.387 -16.801 219 HG22 ILE 26 HG22 ILE 26 -21.089 3.166 -15.389 220 HG23 ILE 26 HG23 ILE 26 -20.019 4.564 -15.489 221 HD11 ILE 26 HD11 ILE 26 -17.182 4.711 -14.368 222 HD12 ILE 26 HD12 ILE 26 -16.306 4.699 -15.898 223 HD13 ILE 26 HD13 ILE 26 -18.006 5.165 -15.859 224 H GLY 27 H GLY 27 -19.551 0.818 -12.324 225 HA2 GLY 27 HA2 GLY 27 -21.335 0.109 -11.004 226 HA3 GLY 27 HA3 GLY 27 -22.150 1.631 -11.333 227 H HIS 28 H HIS 28 -20.874 -0.504 -13.811 228 HA HIS 28 HA HIS 28 -23.330 -0.533 -15.227 229 HB2 HIS 28 HB2 HIS 28 -20.678 -1.866 -15.535 230 HB3 HIS 28 HB3 HIS 28 -22.043 -2.510 -16.442 231 HD1 HIS 28 HD1 HIS 28 -22.104 1.137 -15.959 232 HD2 HIS 28 HD2 HIS 28 -20.652 -1.555 -18.771 233 HE1 HIS 28 HE1 HIS 28 -21.601 2.508 -18.007 234 HA PRO 29 HA PRO 29 -25.490 -3.950 -13.523 235 HB2 PRO 29 HB2 PRO 29 -26.640 -5.035 -15.729 236 HB3 PRO 29 HB3 PRO 29 -27.167 -3.501 -15.027 237 HG2 PRO 29 HG2 PRO 29 -25.375 -3.993 -17.373 238 HG3 PRO 29 HG3 PRO 29 -26.683 -2.810 -17.193 239 HD2 PRO 29 HD2 PRO 29 -24.071 -2.148 -16.919 240 HD3 PRO 29 HD3 PRO 29 -25.361 -1.343 -16.004 241 H SER 30 H SER 30 -25.991 -6.407 -14.178 242 HA SER 30 HA SER 30 -23.385 -7.635 -14.802 243 HB2 SER 30 HB2 SER 30 -24.390 -7.813 -12.404 244 HB3 SER 30 HB3 SER 30 -25.475 -8.999 -13.129 245 HG SER 30 HG SER 30 -22.959 -9.334 -12.333 246 H HIS 31 H HIS 31 -25.761 -6.953 -16.532 247 HA HIS 31 HA HIS 31 -26.985 -9.421 -17.275 248 HB2 HIS 31 HB2 HIS 31 -27.778 -6.956 -17.672 249 HB3 HIS 31 HB3 HIS 31 -26.804 -7.077 -19.135 250 HD1 HIS 31 HD1 HIS 31 -27.814 -8.290 -21.089 251 HD2 HIS 31 HD2 HIS 31 -29.975 -8.827 -17.581 252 HE1 HIS 31 HE1 HIS 31 -29.930 -9.462 -21.775 253 H LYS 32 H LYS 32 -26.816 -10.295 -19.528 254 HA LYS 32 HA LYS 32 -24.199 -11.164 -20.044 255 HB2 LYS 32 HB2 LYS 32 -26.770 -11.291 -21.590 256 HB3 LYS 32 HB3 LYS 32 -25.271 -11.861 -22.311 257 HG2 LYS 32 HG2 LYS 32 -24.996 -13.360 -20.320 258 HG3 LYS 32 HG3 LYS 32 -26.629 -12.898 -19.837 259 HD2 LYS 32 HD2 LYS 32 -27.610 -14.017 -21.589 260 HD3 LYS 32 HD3 LYS 32 -26.177 -13.888 -22.612 261 HE2 LYS 32 HE2 LYS 32 -25.162 -15.708 -21.652 262 HE3 LYS 32 HE3 LYS 32 -26.008 -15.506 -20.118 263 HZ1 LYS 32 HZ1 LYS 32 -27.784 -16.679 -20.837 264 HZ2 LYS 32 HZ2 LYS 32 -26.629 -17.396 -21.843 265 HZ3 LYS 32 HZ3 LYS 32 -27.633 -16.175 -22.445 266 H GLN 33 H GLN 33 -22.857 -10.792 -21.899 267 HA GLN 33 HA GLN 33 -22.416 -8.076 -22.451 268 HB2 GLN 33 HB2 GLN 33 -21.390 -10.619 -23.682 269 HB3 GLN 33 HB3 GLN 33 -20.929 -9.048 -24.326 270 HG2 GLN 33 HG2 GLN 33 -19.200 -9.456 -22.892 271 HG3 GLN 33 HG3 GLN 33 -20.289 -8.543 -21.848 272 HE21 GLN 33 HE21 GLN 33 -20.715 -9.387 -19.942 273 HE22 GLN 33 HE22 GLN 33 -20.526 -11.045 -19.497 274 H THR 34 H THR 34 -22.784 -6.820 -24.268 275 HA THR 34 HA THR 34 -25.028 -7.706 -25.923 276 HB THR 34 HB THR 34 -24.791 -5.170 -26.676 277 HG1 THR 34 HG1 THR 34 -23.565 -4.007 -25.399 278 HG21 THR 34 HG21 THR 34 -26.781 -5.191 -25.676 279 HG22 THR 34 HG22 THR 34 -25.981 -4.953 -24.123 280 HG23 THR 34 HG23 THR 34 -26.308 -6.584 -24.706 281 HA PRO 35 HA PRO 35 -22.722 -8.141 -29.632 282 HB2 PRO 35 HB2 PRO 35 -24.410 -7.095 -31.485 283 HB3 PRO 35 HB3 PRO 35 -24.701 -8.645 -30.686 284 HG2 PRO 35 HG2 PRO 35 -25.863 -5.954 -30.079 285 HG3 PRO 35 HG3 PRO 35 -26.668 -7.533 -30.141 286 HD2 PRO 35 HD2 PRO 35 -25.935 -6.362 -27.812 287 HD3 PRO 35 HD3 PRO 35 -25.949 -8.124 -28.032 288 H ALA 36 H ALA 36 -24.093 -4.930 -29.067 289 HA ALA 36 HA ALA 36 -22.576 -3.522 -30.967 290 HB1 ALA 36 HB1 ALA 36 -23.161 -1.523 -29.702 291 HB2 ALA 36 HB2 ALA 36 -24.558 -2.586 -29.882 292 HB3 ALA 36 HB3 ALA 36 -23.689 -2.523 -28.348 293 H ASP 37 H ASP 37 -21.668 -4.981 -28.026 294 HA ASP 37 HA ASP 37 -19.623 -3.330 -27.109 295 HB2 ASP 37 HB2 ASP 37 -20.585 -5.443 -26.027 296 HB3 ASP 37 HB3 ASP 37 -19.470 -6.340 -27.054 297 H HIS 38 H HIS 38 -19.771 -5.357 -29.899 298 HA HIS 38 HA HIS 38 -17.124 -5.949 -30.400 299 HB2 HIS 38 HB2 HIS 38 -17.718 -6.212 -32.684 300 HB3 HIS 38 HB3 HIS 38 -19.161 -6.622 -31.762 301 HD1 HIS 38 HD1 HIS 38 -20.843 -4.394 -31.479 302 HD2 HIS 38 HD2 HIS 38 -18.254 -4.536 -34.726 303 HE1 HIS 38 HE1 HIS 38 -21.787 -2.783 -33.163 304 H ALA 39 H ALA 39 -18.786 -2.893 -30.679 305 HA ALA 39 HA ALA 39 -16.975 -1.500 -32.292 306 HB1 ALA 39 HB1 ALA 39 -18.329 -0.082 -30.054 307 HB2 ALA 39 HB2 ALA 39 -18.142 0.389 -31.743 308 HB3 ALA 39 HB3 ALA 39 -19.322 -0.843 -31.298 309 H ALA 40 H ALA 40 -16.998 -2.077 -28.807 310 HA ALA 40 HA ALA 40 -14.913 -0.358 -28.085 311 HB1 ALA 40 HB1 ALA 40 -16.564 -1.799 -26.647 312 HB2 ALA 40 HB2 ALA 40 -15.243 -2.968 -26.685 313 HB3 ALA 40 HB3 ALA 40 -14.976 -1.356 -26.020 314 H ILE 41 H ILE 41 -14.879 -3.428 -29.684 315 HA ILE 41 HA ILE 41 -12.314 -4.337 -29.099 316 HB ILE 41 HB ILE 41 -13.773 -4.597 -31.731 317 HG12 ILE 41 HG12 ILE 41 -13.749 -6.442 -29.332 318 HG13 ILE 41 HG13 ILE 41 -15.084 -5.387 -29.782 319 HG21 ILE 41 HG21 ILE 41 -11.472 -5.177 -32.016 320 HG22 ILE 41 HG22 ILE 41 -11.477 -6.141 -30.540 321 HG23 ILE 41 HG23 ILE 41 -12.403 -6.673 -31.943 322 HD11 ILE 41 HD11 ILE 41 -15.089 -6.640 -32.002 323 HD12 ILE 41 HD12 ILE 41 -14.071 -7.827 -31.186 324 HD13 ILE 41 HD13 ILE 41 -15.691 -7.487 -30.578 325 H GLU 42 H GLU 42 -13.352 -1.704 -31.089 326 HA GLU 42 HA GLU 42 -11.259 -1.396 -32.860 327 HB2 GLU 42 HB2 GLU 42 -11.825 0.952 -32.950 328 HB3 GLU 42 HB3 GLU 42 -13.301 0.007 -32.815 329 HG2 GLU 42 HG2 GLU 42 -13.147 0.463 -30.305 330 HG3 GLU 42 HG3 GLU 42 -11.967 1.700 -30.737 331 H ALA 43 H ALA 43 -11.400 -0.605 -29.440 332 HA ALA 43 HA ALA 43 -8.812 0.687 -29.459 333 HB1 ALA 43 HB1 ALA 43 -9.192 0.618 -26.920 334 HB2 ALA 43 HB2 ALA 43 -10.266 1.623 -27.895 335 HB3 ALA 43 HB3 ALA 43 -10.813 0.048 -27.320 336 H LEU 44 H LEU 44 -10.153 -2.452 -28.683 337 HA LEU 44 HA LEU 44 -8.041 -3.527 -27.207 338 HB2 LEU 44 HB2 LEU 44 -10.150 -4.700 -28.969 339 HB3 LEU 44 HB3 LEU 44 -8.878 -5.731 -28.318 340 HG LEU 44 HG LEU 44 -10.659 -4.046 -26.571 341 HD11 LEU 44 HD11 LEU 44 -12.338 -5.391 -27.156 342 HD12 LEU 44 HD12 LEU 44 -11.480 -6.650 -26.268 343 HD13 LEU 44 HD13 LEU 44 -11.267 -6.501 -28.012 344 HD21 LEU 44 HD21 LEU 44 -9.081 -6.533 -25.941 345 HD22 LEU 44 HD22 LEU 44 -9.892 -5.451 -24.808 346 HD23 LEU 44 HD23 LEU 44 -8.470 -4.897 -25.694 347 H ASP 45 H ASP 45 -8.520 -3.278 -30.692 348 HA ASP 45 HA ASP 45 -6.431 -4.899 -31.561 349 HB2 ASP 45 HB2 ASP 45 -8.188 -3.877 -33.016 350 HB3 ASP 45 HB3 ASP 45 -7.354 -2.333 -32.867 351 H ARG 46 H ARG 46 -6.364 -1.346 -31.218 352 HA ARG 46 HA ARG 46 -3.668 -0.964 -31.688 353 HB2 ARG 46 HB2 ARG 46 -5.448 0.809 -31.425 354 HB3 ARG 46 HB3 ARG 46 -5.284 0.613 -29.686 355 HG2 ARG 46 HG2 ARG 46 -3.969 2.473 -30.243 356 HG3 ARG 46 HG3 ARG 46 -2.830 1.149 -29.994 357 HD2 ARG 46 HD2 ARG 46 -2.139 2.295 -31.955 358 HD3 ARG 46 HD3 ARG 46 -2.874 0.780 -32.478 359 HE ARG 46 HE ARG 46 -4.846 2.762 -32.481 360 HH11 ARG 46 HH11 ARG 46 -1.918 1.935 -34.172 361 HH12 ARG 46 HH12 ARG 46 -2.407 2.687 -35.654 362 HH21 ARG 46 HH21 ARG 46 -5.501 3.756 -34.426 363 HH22 ARG 46 HH22 ARG 46 -4.445 3.724 -35.797 364 H LEU 47 H LEU 47 -5.300 -1.842 -28.687 365 HA LEU 47 HA LEU 47 -3.064 -1.586 -26.984 366 HB2 LEU 47 HB2 LEU 47 -5.158 -1.666 -25.942 367 HB3 LEU 47 HB3 LEU 47 -5.637 -3.116 -26.822 368 HG LEU 47 HG LEU 47 -4.188 -4.479 -25.469 369 HD11 LEU 47 HD11 LEU 47 -2.930 -3.480 -23.580 370 HD12 LEU 47 HD12 LEU 47 -3.305 -1.882 -24.224 371 HD13 LEU 47 HD13 LEU 47 -2.321 -3.002 -25.165 372 HD21 LEU 47 HD21 LEU 47 -5.241 -3.075 -23.198 373 HD22 LEU 47 HD22 LEU 47 -5.765 -4.600 -23.912 374 HD23 LEU 47 HD23 LEU 47 -6.416 -3.074 -24.513 375 H LEU 48 H LEU 48 -4.549 -4.531 -28.351 376 HA LEU 48 HA LEU 48 -2.669 -6.365 -27.509 377 HB2 LEU 48 HB2 LEU 48 -4.145 -6.377 -30.137 378 HB3 LEU 48 HB3 LEU 48 -3.397 -7.772 -29.362 379 HG LEU 48 HG LEU 48 -5.498 -6.302 -27.856 380 HD11 LEU 48 HD11 LEU 48 -7.176 -7.845 -29.004 381 HD12 LEU 48 HD12 LEU 48 -5.981 -7.985 -30.292 382 HD13 LEU 48 HD13 LEU 48 -6.657 -6.408 -29.886 383 HD21 LEU 48 HD21 LEU 48 -4.073 -8.757 -27.674 384 HD22 LEU 48 HD22 LEU 48 -5.788 -9.118 -27.872 385 HD23 LEU 48 HD23 LEU 48 -5.251 -8.078 -26.552 386 H LEU 49 H LEU 49 -2.554 -4.187 -30.264 387 HA LEU 49 HA LEU 49 -0.192 -5.338 -31.398 388 HB2 LEU 49 HB2 LEU 49 -1.655 -4.180 -32.862 389 HB3 LEU 49 HB3 LEU 49 -1.642 -2.742 -31.843 390 HG LEU 49 HG LEU 49 0.788 -2.469 -32.441 391 HD11 LEU 49 HD11 LEU 49 0.083 -4.745 -34.263 392 HD12 LEU 49 HD12 LEU 49 1.460 -4.585 -33.174 393 HD13 LEU 49 HD13 LEU 49 1.382 -3.614 -34.643 394 HD21 LEU 49 HD21 LEU 49 -1.342 -2.339 -34.564 395 HD22 LEU 49 HD22 LEU 49 0.269 -1.647 -34.761 396 HD23 LEU 49 HD23 LEU 49 -0.800 -1.050 -33.490 397 H ASP 50 H ASP 50 -0.892 -2.707 -29.179 398 HA ASP 50 HA ASP 50 1.742 -1.623 -29.162 399 HB2 ASP 50 HB2 ASP 50 -0.650 -1.330 -27.360 400 HB3 ASP 50 HB3 ASP 50 0.896 -0.592 -26.949 401 H VAL 51 H VAL 51 0.103 -4.135 -27.364 402 HA VAL 51 HA VAL 51 2.226 -4.393 -25.417 403 HB VAL 51 HB VAL 51 0.958 -6.322 -24.578 404 HG11 VAL 51 HG11 VAL 51 -0.210 -3.639 -24.921 405 HG12 VAL 51 HG12 VAL 51 -1.324 -4.900 -24.388 406 HG13 VAL 51 HG13 VAL 51 0.129 -4.551 -23.451 407 HG21 VAL 51 HG21 VAL 51 -0.860 -5.762 -26.918 408 HG22 VAL 51 HG22 VAL 51 0.101 -7.216 -26.648 409 HG23 VAL 51 HG23 VAL 51 -1.250 -6.840 -25.578 410 H ARG 52 H ARG 52 1.163 -6.002 -28.353 411 HA ARG 52 HA ARG 52 3.001 -8.194 -28.086 412 HB2 ARG 52 HB2 ARG 52 2.139 -8.988 -30.112 413 HB3 ARG 52 HB3 ARG 52 0.773 -8.167 -29.369 414 HG2 ARG 52 HG2 ARG 52 0.585 -7.295 -31.442 415 HG3 ARG 52 HG3 ARG 52 1.746 -6.135 -30.792 416 HD2 ARG 52 HD2 ARG 52 3.508 -7.039 -31.963 417 HD3 ARG 52 HD3 ARG 52 2.753 -8.628 -32.078 418 HE ARG 52 HE ARG 52 1.269 -6.712 -33.542 419 HH11 ARG 52 HH11 ARG 52 4.211 -8.571 -33.644 420 HH12 ARG 52 HH12 ARG 52 4.291 -8.593 -35.375 421 HH21 ARG 52 HH21 ARG 52 1.363 -6.735 -35.821 422 HH22 ARG 52 HH22 ARG 52 2.670 -7.548 -36.612 423 H ALA 53 H ALA 53 3.046 -5.024 -29.507 424 HA ALA 53 HA ALA 53 5.501 -5.567 -30.982 425 HB1 ALA 53 HB1 ALA 53 4.112 -2.911 -30.744 426 HB2 ALA 53 HB2 ALA 53 5.222 -3.461 -32.001 427 HB3 ALA 53 HB3 ALA 53 3.603 -4.152 -31.890 428 H ARG 54 H ARG 54 5.078 -5.324 -27.904 429 HA ARG 54 HA ARG 54 6.208 -4.515 -26.098 430 HB2 ARG 54 HB2 ARG 54 8.334 -4.601 -28.225 431 HB3 ARG 54 HB3 ARG 54 8.704 -4.083 -26.585 432 HG2 ARG 54 HG2 ARG 54 9.210 -6.287 -26.402 433 HG3 ARG 54 HG3 ARG 54 7.498 -6.355 -25.980 434 HD2 ARG 54 HD2 ARG 54 7.792 -8.079 -27.538 435 HD3 ARG 54 HD3 ARG 54 7.078 -6.759 -28.463 436 HE ARG 54 HE ARG 54 9.958 -6.825 -28.519 437 HH11 ARG 54 HH11 ARG 54 7.018 -7.948 -30.008 438 HH12 ARG 54 HH12 ARG 54 7.761 -8.264 -31.541 439 HH21 ARG 54 HH21 ARG 54 10.948 -7.237 -30.533 440 HH22 ARG 54 HH22 ARG 54 9.997 -7.860 -31.838 441 H ARG 55 H ARG 55 4.764 -2.582 -27.746 442 HA ARG 55 HA ARG 55 6.397 -0.167 -27.482 443 HB2 ARG 55 HB2 ARG 55 3.846 -0.807 -28.931 444 HB3 ARG 55 HB3 ARG 55 4.294 0.861 -28.604 445 HG2 ARG 55 HG2 ARG 55 6.574 0.083 -29.691 446 HG3 ARG 55 HG3 ARG 55 5.517 -1.108 -30.451 447 HD2 ARG 55 HD2 ARG 55 4.688 1.752 -30.455 448 HD3 ARG 55 HD3 ARG 55 5.963 1.242 -31.561 449 HE ARG 55 HE ARG 55 3.164 0.634 -31.748 450 HH11 ARG 55 HH11 ARG 55 6.374 -0.410 -32.600 451 HH12 ARG 55 HH12 ARG 55 5.853 -1.325 -33.975 452 HH21 ARG 55 HH21 ARG 55 2.465 -0.568 -33.556 453 HH22 ARG 55 HH22 ARG 55 3.629 -1.414 -34.519 454 H VAL 56 H VAL 56 5.225 -1.669 -25.199 455 HA VAL 56 HA VAL 56 3.441 0.416 -24.125 456 HB VAL 56 HB VAL 56 2.490 -1.887 -24.223 457 HG11 VAL 56 HG11 VAL 56 3.307 -3.630 -22.827 458 HG12 VAL 56 HG12 VAL 56 4.683 -3.019 -23.746 459 HG13 VAL 56 HG13 VAL 56 4.473 -2.554 -22.058 460 HG21 VAL 56 HG21 VAL 56 1.865 -0.109 -22.521 461 HG22 VAL 56 HG22 VAL 56 1.449 -1.773 -22.110 462 HG23 VAL 56 HG23 VAL 56 2.856 -1.007 -21.371 463 H ASP 57 H ASP 57 3.764 1.152 -21.988 464 HA ASP 57 HA ASP 57 6.378 0.512 -20.804 465 HB2 ASP 57 HB2 ASP 57 6.517 2.980 -20.176 466 HB3 ASP 57 HB3 ASP 57 6.795 2.584 -21.870 467 H GLN 58 H GLN 58 6.438 1.771 -18.539 468 HA GLN 58 HA GLN 58 4.109 0.761 -17.097 469 HB2 GLN 58 HB2 GLN 58 5.499 0.998 -15.089 470 HB3 GLN 58 HB3 GLN 58 6.305 0.034 -16.319 471 HG2 GLN 58 HG2 GLN 58 6.866 2.947 -16.236 472 HG3 GLN 58 HG3 GLN 58 7.562 1.923 -14.981 473 HE21 GLN 58 HE21 GLN 58 8.355 3.366 -17.692 474 HE22 GLN 58 HE22 GLN 58 9.459 2.228 -18.379 475 H PHE 59 H PHE 59 2.877 2.003 -15.697 476 HA PHE 59 HA PHE 59 3.413 4.711 -15.082 477 HB2 PHE 59 HB2 PHE 59 2.761 4.732 -17.591 478 HB3 PHE 59 HB3 PHE 59 1.126 4.432 -17.012 479 HD1 PHE 59 HD2 PHE 59 3.950 6.807 -16.882 480 HD2 PHE 59 HD1 PHE 59 -0.184 6.162 -16.102 481 HE1 PHE 59 HE2 PHE 59 3.651 9.218 -16.493 482 HE2 PHE 59 HE1 PHE 59 -0.490 8.572 -15.712 483 HZ PHE 59 HZ PHE 59 1.429 10.103 -15.906 484 H GLN 60 H GLN 60 1.587 5.749 -13.946 485 HA GLN 60 HA GLN 60 -0.567 3.979 -13.116 486 HB2 GLN 60 HB2 GLN 60 -0.035 4.542 -10.679 487 HB3 GLN 60 HB3 GLN 60 0.979 3.339 -11.464 488 HG2 GLN 60 HG2 GLN 60 2.821 4.645 -11.405 489 HG3 GLN 60 HG3 GLN 60 1.904 6.139 -11.598 490 HE21 GLN 60 HE21 GLN 60 2.162 3.497 -9.237 491 HE22 GLN 60 HE22 GLN 60 2.237 4.520 -7.847 492 H ILE 61 H ILE 61 -2.325 5.174 -13.381 493 HA ILE 61 HA ILE 61 -2.212 8.059 -13.222 494 HB ILE 61 HB ILE 61 -4.522 8.033 -13.954 495 HG12 ILE 61 HG12 ILE 61 -4.349 5.025 -13.669 496 HG13 ILE 61 HG13 ILE 61 -5.285 6.101 -12.637 497 HG21 ILE 61 HG21 ILE 61 -3.101 5.920 -15.547 498 HG22 ILE 61 HG22 ILE 61 -4.201 7.174 -16.118 499 HG23 ILE 61 HG23 ILE 61 -2.589 7.607 -15.550 500 HD11 ILE 61 HD11 ILE 61 -6.880 5.281 -14.073 501 HD12 ILE 61 HD12 ILE 61 -6.433 6.798 -14.854 502 HD13 ILE 61 HD13 ILE 61 -5.785 5.272 -15.455 503 H ASN 62 H ASN 62 -3.243 5.405 -11.240 504 HA ASN 62 HA ASN 62 -4.309 7.319 -9.268 505 HB2 ASN 62 HB2 ASN 62 -5.209 4.579 -10.057 506 HB3 ASN 62 HB3 ASN 62 -5.446 5.100 -8.392 507 HD21 ASN 62 HD21 ASN 62 -7.465 4.493 -10.320 508 HD22 ASN 62 HD22 ASN 62 -8.393 5.931 -10.555 509 H ALA 63 H ALA 63 -3.902 6.847 -7.033 510 HA ALA 63 HA ALA 63 -1.383 5.379 -6.649 511 HB1 ALA 63 HB1 ALA 63 -1.498 7.853 -6.125 512 HB2 ALA 63 HB2 ALA 63 -2.538 7.419 -4.767 513 HB3 ALA 63 HB3 ALA 63 -0.885 6.810 -4.841 514 H SER 64 H SER 64 -4.658 5.774 -5.435 515 HA SER 64 HA SER 64 -4.331 3.994 -3.220 516 HB2 SER 64 HB2 SER 64 -6.956 4.730 -4.513 517 HB3 SER 64 HB3 SER 64 -6.655 4.288 -2.833 518 HG SER 64 HG SER 64 -6.545 6.715 -4.001 519 H ALA 65 H ALA 65 -5.591 3.701 -6.506 520 HA ALA 65 HA ALA 65 -6.621 1.101 -6.307 521 HB1 ALA 65 HB1 ALA 65 -6.871 1.157 -8.598 522 HB2 ALA 65 HB2 ALA 65 -6.821 2.876 -8.202 523 HB3 ALA 65 HB3 ALA 65 -5.386 2.078 -8.845 524 H ALA 66 H ALA 66 -5.517 -0.542 -8.092 525 HA ALA 66 HA ALA 66 -3.198 -1.514 -6.723 526 HB1 ALA 66 HB1 ALA 66 -3.328 -3.406 -8.174 527 HB2 ALA 66 HB2 ALA 66 -4.972 -2.970 -7.706 528 HB3 ALA 66 HB3 ALA 66 -4.365 -2.537 -9.305 529 H GLN 67 H GLN 67 -1.094 -1.427 -7.307 530 HA GLN 67 HA GLN 67 -0.433 0.259 -9.612 531 HB2 GLN 67 HB2 GLN 67 1.379 -0.602 -7.354 532 HB3 GLN 67 HB3 GLN 67 1.702 0.640 -8.557 533 HG2 GLN 67 HG2 GLN 67 -0.210 0.715 -6.255 534 HG3 GLN 67 HG3 GLN 67 1.123 1.808 -6.624 535 HE21 GLN 67 HE21 GLN 67 0.649 2.336 -9.276 536 HE22 GLN 67 HE22 GLN 67 -0.834 3.209 -9.435 537 H ILE 68 H ILE 68 -0.358 -1.064 -11.358 538 HA ILE 68 HA ILE 68 1.293 -3.491 -11.176 539 HB ILE 68 HB ILE 68 -0.669 -2.742 -13.346 540 HG12 ILE 68 HG12 ILE 68 -1.839 -4.830 -12.176 541 HG13 ILE 68 HG13 ILE 68 -0.969 -4.220 -10.774 542 HG21 ILE 68 HG21 ILE 68 1.342 -4.794 -13.104 543 HG22 ILE 68 HG22 ILE 68 -0.264 -5.497 -13.290 544 HG23 ILE 68 HG23 ILE 68 0.344 -4.356 -14.490 545 HD11 ILE 68 HD11 ILE 68 -3.387 -3.264 -11.984 546 HD12 ILE 68 HD12 ILE 68 -2.649 -2.823 -10.444 547 HD13 ILE 68 HD13 ILE 68 -2.175 -1.985 -11.922 548 H ILE 69 H ILE 69 3.343 -2.767 -11.528 549 HA ILE 69 HA ILE 69 3.946 -0.878 -13.617 550 HB ILE 69 HB ILE 69 5.817 -2.541 -11.926 551 HG12 ILE 69 HG12 ILE 69 6.126 -0.082 -10.957 552 HG13 ILE 69 HG13 ILE 69 4.472 0.094 -11.535 553 HG21 ILE 69 HG21 ILE 69 6.349 -0.150 -13.685 554 HG22 ILE 69 HG22 ILE 69 7.522 -0.907 -12.608 555 HG23 ILE 69 HG23 ILE 69 6.877 -1.807 -13.980 556 HD11 ILE 69 HD11 ILE 69 3.746 -0.874 -9.691 557 HD12 ILE 69 HD12 ILE 69 4.623 -2.344 -10.117 558 HD13 ILE 69 HD13 ILE 69 5.406 -1.101 -9.141 559 H VAL 70 H VAL 70 4.961 -1.265 -15.557 560 HA VAL 70 HA VAL 70 4.768 -4.007 -16.542 561 HB VAL 70 HB VAL 70 5.307 -1.448 -18.055 562 HG11 VAL 70 HG11 VAL 70 6.054 -2.882 -19.611 563 HG12 VAL 70 HG12 VAL 70 5.322 -4.278 -18.819 564 HG13 VAL 70 HG13 VAL 70 4.346 -3.242 -19.861 565 HG21 VAL 70 HG21 VAL 70 2.931 -2.336 -16.909 566 HG22 VAL 70 HG22 VAL 70 3.110 -1.095 -18.150 567 HG23 VAL 70 HG23 VAL 70 2.799 -2.768 -18.613 568 H THR 71 H THR 71 6.476 -5.254 -16.992 569 HA THR 71 HA THR 71 9.153 -4.052 -16.740 570 HB THR 71 HB THR 71 9.958 -6.315 -16.160 571 HG1 THR 71 HG1 THR 71 8.679 -7.974 -16.429 572 HG21 THR 71 HG21 THR 71 8.911 -6.448 -13.926 573 HG22 THR 71 HG22 THR 71 7.678 -5.304 -14.457 574 HG23 THR 71 HG23 THR 71 9.365 -4.800 -14.359 575 H ASP 72 H ASP 72 9.252 -3.448 -18.948 576 HA ASP 72 HA ASP 72 9.577 -5.722 -20.796 577 HB2 ASP 72 HB2 ASP 72 7.716 -4.511 -21.603 578 HB3 ASP 72 HB3 ASP 72 8.479 -2.958 -21.273 Start of MODEL 18 1 H1 MET 1 H MET 1 -0.647 -0.943 0.451 2 HA MET 1 HA MET 1 1.248 -0.824 -1.506 3 HB2 MET 1 HB2 MET 1 2.641 -2.322 -0.027 4 HB3 MET 1 HB3 MET 1 1.950 -0.912 0.764 5 HG2 MET 1 HG2 MET 1 0.240 -2.250 1.783 6 HG3 MET 1 HG3 MET 1 0.759 -3.671 0.878 7 HE1 MET 1 HE1 MET 1 1.565 -3.410 4.956 8 HE2 MET 1 HE2 MET 1 0.213 -2.960 3.917 9 HE3 MET 1 HE3 MET 1 0.802 -4.623 3.927 10 H ASP 2 H ASP 2 -0.404 -1.949 -3.101 11 HA ASP 2 HA ASP 2 0.500 -4.737 -3.405 12 HB2 ASP 2 HB2 ASP 2 -2.211 -3.561 -4.046 13 HB3 ASP 2 HB3 ASP 2 -1.689 -5.163 -4.562 14 H ARG 3 H ARG 3 2.041 -4.592 -4.926 15 HA ARG 3 HA ARG 3 1.386 -3.135 -7.402 16 HB2 ARG 3 HB2 ARG 3 4.130 -3.718 -6.275 17 HB3 ARG 3 HB3 ARG 3 3.782 -2.813 -7.741 18 HG2 ARG 3 HG2 ARG 3 2.517 -1.831 -5.262 19 HG3 ARG 3 HG3 ARG 3 4.269 -1.661 -5.381 20 HD2 ARG 3 HD2 ARG 3 3.644 -0.754 -7.790 21 HD3 ARG 3 HD3 ARG 3 2.116 -0.391 -6.989 22 HE ARG 3 HE ARG 3 4.135 0.577 -5.354 23 HH11 ARG 3 HH11 ARG 3 2.910 1.148 -8.562 24 HH12 ARG 3 HH12 ARG 3 3.373 2.818 -8.583 25 HH21 ARG 3 HH21 ARG 3 4.749 2.774 -5.369 26 HH22 ARG 3 HH22 ARG 3 4.420 3.741 -6.766 27 H ILE 4 H ILE 4 1.028 -4.389 -9.099 28 HA ILE 4 HA ILE 4 1.892 -7.173 -9.043 29 HB ILE 4 HB ILE 4 0.090 -5.719 -10.982 30 HG12 ILE 4 HG12 ILE 4 -1.205 -7.814 -9.547 31 HG13 ILE 4 HG13 ILE 4 -0.363 -6.800 -8.380 32 HG21 ILE 4 HG21 ILE 4 1.160 -7.527 -12.131 33 HG22 ILE 4 HG22 ILE 4 0.846 -8.628 -10.791 34 HG23 ILE 4 HG23 ILE 4 -0.493 -8.013 -11.759 35 HD11 ILE 4 HD11 ILE 4 -1.495 -4.829 -9.342 36 HD12 ILE 4 HD12 ILE 4 -2.402 -5.909 -10.402 37 HD13 ILE 4 HD13 ILE 4 -2.608 -6.011 -8.653 38 H PHE 5 H PHE 5 3.343 -8.070 -10.418 39 HA PHE 5 HA PHE 5 4.637 -6.269 -12.359 40 HB2 PHE 5 HB2 PHE 5 6.755 -7.377 -11.905 41 HB3 PHE 5 HB3 PHE 5 6.078 -6.751 -10.405 42 HD1 PHE 5 HD2 PHE 5 4.931 -8.339 -8.836 43 HD2 PHE 5 HD1 PHE 5 7.229 -9.658 -12.168 44 HE1 PHE 5 HE2 PHE 5 5.116 -10.572 -7.820 45 HE2 PHE 5 HE1 PHE 5 7.416 -11.893 -11.158 46 HZ PHE 5 HZ PHE 5 6.360 -12.353 -8.981 47 H MET 6 H MET 6 4.807 -6.968 -14.403 48 HA MET 6 HA MET 6 4.686 -9.797 -15.026 49 HB2 MET 6 HB2 MET 6 2.469 -7.889 -15.603 50 HB3 MET 6 HB3 MET 6 2.849 -9.107 -16.813 51 HG2 MET 6 HG2 MET 6 2.486 -10.870 -15.193 52 HG3 MET 6 HG3 MET 6 2.184 -9.675 -13.934 53 HE1 MET 6 HE1 MET 6 -1.052 -11.464 -14.364 54 HE2 MET 6 HE2 MET 6 -0.331 -12.106 -15.840 55 HE3 MET 6 HE3 MET 6 0.637 -11.970 -14.372 56 H THR 7 H THR 7 5.315 -10.280 -17.188 57 HA THR 7 HA THR 7 7.157 -8.340 -18.270 58 HB THR 7 HB THR 7 7.064 -10.464 -20.063 59 HG1 THR 7 HG1 THR 7 6.158 -12.036 -18.974 60 HG21 THR 7 HG21 THR 7 9.185 -9.815 -19.543 61 HG22 THR 7 HG22 THR 7 9.077 -11.211 -18.471 62 HG23 THR 7 HG23 THR 7 8.813 -9.588 -17.835 63 H ARG 8 H ARG 8 7.210 -8.429 -20.856 64 HA ARG 8 HA ARG 8 5.183 -6.801 -21.775 65 HB2 ARG 8 HB2 ARG 8 5.951 -7.472 -24.078 66 HB3 ARG 8 HB3 ARG 8 7.224 -6.914 -23.000 67 HG2 ARG 8 HG2 ARG 8 7.738 -9.314 -22.509 68 HG3 ARG 8 HG3 ARG 8 6.604 -9.748 -23.790 69 HD2 ARG 8 HD2 ARG 8 8.518 -9.711 -25.016 70 HD3 ARG 8 HD3 ARG 8 8.077 -8.009 -25.151 71 HE ARG 8 HE ARG 8 9.732 -8.505 -22.884 72 HH11 ARG 8 HH11 ARG 8 9.771 -8.059 -26.337 73 HH12 ARG 8 HH12 ARG 8 11.401 -7.472 -26.374 74 HH21 ARG 8 HH21 ARG 8 11.879 -7.734 -22.920 75 HH22 ARG 8 HH22 ARG 8 12.599 -7.288 -24.430 76 H THR 9 H THR 9 5.505 -10.316 -22.188 77 HA THR 9 HA THR 9 3.102 -10.642 -23.651 78 HB THR 9 HB THR 9 4.139 -12.871 -21.958 79 HG1 THR 9 HG1 THR 9 5.994 -13.012 -23.047 80 HG21 THR 9 HG21 THR 9 2.247 -12.891 -23.771 81 HG22 THR 9 HG22 THR 9 3.396 -14.225 -23.673 82 HG23 THR 9 HG23 THR 9 3.603 -12.971 -24.895 83 H GLU 10 H GLU 10 3.886 -11.216 -20.223 84 HA GLU 10 HA GLU 10 1.326 -12.025 -19.424 85 HB2 GLU 10 HB2 GLU 10 3.526 -10.671 -17.857 86 HB3 GLU 10 HB3 GLU 10 2.079 -11.356 -17.129 87 HG2 GLU 10 HG2 GLU 10 4.036 -12.933 -18.779 88 HG3 GLU 10 HG3 GLU 10 4.090 -12.814 -17.021 89 H ALA 11 H ALA 11 2.529 -8.940 -20.277 90 HA ALA 11 HA ALA 11 1.062 -7.169 -18.766 91 HB1 ALA 11 HB1 ALA 11 1.514 -5.575 -20.369 92 HB2 ALA 11 HB2 ALA 11 2.763 -6.777 -20.697 93 HB3 ALA 11 HB3 ALA 11 1.318 -6.710 -21.706 94 H LEU 12 H LEU 12 -0.043 -9.330 -21.255 95 HA LEU 12 HA LEU 12 -2.405 -8.194 -22.080 96 HB2 LEU 12 HB2 LEU 12 -3.222 -10.459 -22.470 97 HB3 LEU 12 HB3 LEU 12 -1.550 -10.269 -22.994 98 HG LEU 12 HG LEU 12 -1.154 -11.260 -20.520 99 HD11 LEU 12 HD11 LEU 12 -3.897 -11.565 -20.852 100 HD12 LEU 12 HD12 LEU 12 -2.878 -12.356 -19.650 101 HD13 LEU 12 HD13 LEU 12 -3.222 -13.161 -21.181 102 HD21 LEU 12 HD21 LEU 12 -0.539 -12.026 -22.980 103 HD22 LEU 12 HD22 LEU 12 -1.768 -13.245 -22.642 104 HD23 LEU 12 HD23 LEU 12 -0.355 -13.104 -21.595 105 H GLU 13 H GLU 13 -1.810 -10.063 -19.129 106 HA GLU 13 HA GLU 13 -4.452 -10.160 -18.204 107 HB2 GLU 13 HB2 GLU 13 -2.075 -11.156 -17.329 108 HB3 GLU 13 HB3 GLU 13 -2.359 -9.888 -16.145 109 HG2 GLU 13 HG2 GLU 13 -3.332 -11.735 -15.167 110 HG3 GLU 13 HG3 GLU 13 -4.704 -10.924 -15.920 111 H PHE 14 H PHE 14 -1.966 -7.693 -17.897 112 HA PHE 14 HA PHE 14 -3.335 -6.095 -15.993 113 HB2 PHE 14 HB2 PHE 14 -0.995 -5.750 -16.194 114 HB3 PHE 14 HB3 PHE 14 -1.103 -5.520 -17.936 115 HD1 PHE 14 HD2 PHE 14 -3.196 -3.998 -15.278 116 HD2 PHE 14 HD1 PHE 14 -0.213 -3.394 -18.253 117 HE1 PHE 14 HE2 PHE 14 -3.357 -1.566 -14.941 118 HE2 PHE 14 HE1 PHE 14 -0.368 -0.961 -17.920 119 HZ PHE 14 HZ PHE 14 -1.943 -0.044 -16.263 120 H LEU 15 H LEU 15 -3.052 -5.924 -19.529 121 HA LEU 15 HA LEU 15 -4.638 -3.619 -19.861 122 HB2 LEU 15 HB2 LEU 15 -4.202 -5.893 -21.791 123 HB3 LEU 15 HB3 LEU 15 -4.800 -4.286 -22.199 124 HG LEU 15 HG LEU 15 -2.093 -4.638 -20.963 125 HD11 LEU 15 HD11 LEU 15 -1.986 -4.352 -23.822 126 HD12 LEU 15 HD12 LEU 15 -2.836 -5.831 -23.376 127 HD13 LEU 15 HD13 LEU 15 -1.201 -5.540 -22.782 128 HD21 LEU 15 HD21 LEU 15 -3.191 -2.395 -21.167 129 HD22 LEU 15 HD22 LEU 15 -3.135 -2.598 -22.919 130 HD23 LEU 15 HD23 LEU 15 -1.637 -2.537 -21.990 131 H LEU 16 H LEU 16 -5.430 -7.013 -19.554 132 HA LEU 16 HA LEU 16 -8.176 -6.683 -20.340 133 HB2 LEU 16 HB2 LEU 16 -6.645 -8.801 -20.413 134 HB3 LEU 16 HB3 LEU 16 -7.190 -9.010 -18.750 135 HG LEU 16 HG LEU 16 -9.103 -8.755 -21.058 136 HD11 LEU 16 HD11 LEU 16 -9.246 -11.331 -20.621 137 HD12 LEU 16 HD12 LEU 16 -7.584 -11.121 -20.073 138 HD13 LEU 16 HD13 LEU 16 -8.033 -10.673 -21.719 139 HD21 LEU 16 HD21 LEU 16 -10.196 -10.331 -19.086 140 HD22 LEU 16 HD22 LEU 16 -10.533 -8.620 -19.350 141 HD23 LEU 16 HD23 LEU 16 -9.309 -9.107 -18.177 142 H LYS 17 H LYS 17 -6.485 -7.271 -17.266 143 HA LYS 17 HA LYS 17 -8.807 -7.148 -15.653 144 HB2 LYS 17 HB2 LYS 17 -7.356 -7.220 -13.800 145 HB3 LYS 17 HB3 LYS 17 -6.527 -8.131 -15.055 146 HG2 LYS 17 HG2 LYS 17 -5.282 -5.978 -15.580 147 HG3 LYS 17 HG3 LYS 17 -5.927 -5.367 -14.054 148 HD2 LYS 17 HD2 LYS 17 -4.241 -7.848 -14.396 149 HD3 LYS 17 HD3 LYS 17 -3.681 -6.296 -13.768 150 HE2 LYS 17 HE2 LYS 17 -5.318 -6.493 -11.927 151 HE3 LYS 17 HE3 LYS 17 -5.777 -8.083 -12.537 152 HZ1 LYS 17 HZ1 LYS 17 -3.059 -7.325 -11.607 153 HZ2 LYS 17 HZ2 LYS 17 -3.533 -8.856 -12.148 154 HZ3 LYS 17 HZ3 LYS 17 -4.180 -8.227 -10.717 155 H ALA 18 H ALA 18 -6.810 -4.731 -17.086 156 HA ALA 18 HA ALA 18 -7.103 -2.563 -15.407 157 HB1 ALA 18 HB1 ALA 18 -7.096 -1.212 -17.598 158 HB2 ALA 18 HB2 ALA 18 -5.705 -2.235 -17.237 159 HB3 ALA 18 HB3 ALA 18 -6.924 -2.779 -18.390 160 H HIS 19 H HIS 19 -9.422 -3.930 -17.673 161 HA HIS 19 HA HIS 19 -11.321 -1.801 -17.369 162 HB2 HIS 19 HB2 HIS 19 -10.989 -3.627 -19.290 163 HB3 HIS 19 HB3 HIS 19 -12.189 -4.483 -18.325 164 HD1 HIS 19 HD1 HIS 19 -14.078 -4.234 -20.014 165 HD2 HIS 19 HD2 HIS 19 -12.423 -0.607 -18.846 166 HE1 HIS 19 HE1 HIS 19 -15.632 -2.468 -20.904 167 H GLN 20 H GLN 20 -10.684 -4.852 -15.809 168 HA GLN 20 HA GLN 20 -13.101 -5.404 -14.596 169 HB2 GLN 20 HB2 GLN 20 -10.877 -6.707 -14.521 170 HB3 GLN 20 HB3 GLN 20 -10.492 -5.702 -13.130 171 HG2 GLN 20 HG2 GLN 20 -12.268 -6.586 -11.868 172 HG3 GLN 20 HG3 GLN 20 -13.012 -7.322 -13.286 173 HE21 GLN 20 HE21 GLN 20 -11.217 -8.754 -14.478 174 HE22 GLN 20 HE22 GLN 20 -10.490 -9.927 -13.439 175 H THR 21 H THR 21 -10.430 -3.522 -13.162 176 HA THR 21 HA THR 21 -11.986 -2.628 -10.957 177 HB THR 21 HB THR 21 -9.606 -1.066 -11.848 178 HG1 THR 21 HG1 THR 21 -9.275 -3.562 -10.552 179 HG21 THR 21 HG21 THR 21 -9.261 -1.762 -9.236 180 HG22 THR 21 HG22 THR 21 -11.020 -1.726 -9.360 181 HG23 THR 21 HG23 THR 21 -10.077 -0.298 -9.784 182 H ALA 22 H ALA 22 -11.079 -1.186 -14.056 183 HA ALA 22 HA ALA 22 -11.984 1.403 -13.671 184 HB1 ALA 22 HB1 ALA 22 -10.730 0.743 -15.639 185 HB2 ALA 22 HB2 ALA 22 -12.084 -0.241 -16.197 186 HB3 ALA 22 HB3 ALA 22 -12.245 1.513 -16.111 187 H VAL 23 H VAL 23 -13.819 -1.231 -15.239 188 HA VAL 23 HA VAL 23 -16.250 0.063 -15.463 189 HB VAL 23 HB VAL 23 -15.826 -2.875 -14.896 190 HG11 VAL 23 HG11 VAL 23 -18.013 -2.798 -16.435 191 HG12 VAL 23 HG12 VAL 23 -18.078 -2.749 -14.672 192 HG13 VAL 23 HG13 VAL 23 -18.198 -1.255 -15.602 193 HG21 VAL 23 HG21 VAL 23 -14.970 -1.349 -17.075 194 HG22 VAL 23 HG22 VAL 23 -15.056 -3.108 -16.971 195 HG23 VAL 23 HG23 VAL 23 -16.413 -2.196 -17.633 196 H ASP 24 H ASP 24 -15.010 -1.839 -12.738 197 HA ASP 24 HA ASP 24 -17.333 -1.656 -11.145 198 HB2 ASP 24 HB2 ASP 24 -15.184 -3.162 -10.924 199 HB3 ASP 24 HB3 ASP 24 -14.615 -1.840 -9.908 200 H LYS 25 H LYS 25 -14.681 0.514 -11.715 201 HA LYS 25 HA LYS 25 -15.060 2.157 -9.422 202 HB2 LYS 25 HB2 LYS 25 -12.962 2.067 -10.773 203 HB3 LYS 25 HB3 LYS 25 -13.806 2.903 -12.070 204 HG2 LYS 25 HG2 LYS 25 -14.288 4.683 -10.229 205 HG3 LYS 25 HG3 LYS 25 -12.913 3.931 -9.418 206 HD2 LYS 25 HD2 LYS 25 -11.576 4.284 -11.485 207 HD3 LYS 25 HD3 LYS 25 -12.944 5.161 -12.173 208 HE2 LYS 25 HE2 LYS 25 -11.576 5.913 -9.594 209 HE3 LYS 25 HE3 LYS 25 -11.176 6.611 -11.163 210 HZ1 LYS 25 HZ1 LYS 25 -12.726 8.111 -10.649 211 HZ2 LYS 25 HZ2 LYS 25 -13.404 7.157 -9.427 212 HZ3 LYS 25 HZ3 LYS 25 -13.856 6.913 -11.039 213 H ILE 26 H ILE 26 -16.242 2.268 -12.749 214 HA ILE 26 HA ILE 26 -17.525 4.786 -12.539 215 HB ILE 26 HB ILE 26 -18.291 2.534 -14.395 216 HG12 ILE 26 HG12 ILE 26 -15.883 2.953 -14.550 217 HG13 ILE 26 HG13 ILE 26 -16.707 3.526 -15.997 218 HG21 ILE 26 HG21 ILE 26 -19.932 4.195 -14.531 219 HG22 ILE 26 HG22 ILE 26 -18.752 5.497 -14.389 220 HG23 ILE 26 HG23 ILE 26 -18.843 4.549 -15.873 221 HD11 ILE 26 HD11 ILE 26 -14.952 5.055 -15.178 222 HD12 ILE 26 HD12 ILE 26 -16.551 5.798 -15.244 223 HD13 ILE 26 HD13 ILE 26 -15.883 5.280 -13.697 224 H GLY 27 H GLY 27 -18.387 1.600 -11.518 225 HA2 GLY 27 HA2 GLY 27 -20.103 1.042 -10.039 226 HA3 GLY 27 HA3 GLY 27 -20.793 2.641 -10.276 227 H HIS 28 H HIS 28 -19.953 0.548 -12.946 228 HA HIS 28 HA HIS 28 -22.571 0.721 -14.042 229 HB2 HIS 28 HB2 HIS 28 -20.011 -0.586 -14.795 230 HB3 HIS 28 HB3 HIS 28 -21.481 -1.243 -15.510 231 HD1 HIS 28 HD1 HIS 28 -20.216 2.315 -14.966 232 HD2 HIS 28 HD2 HIS 28 -21.821 -0.114 -17.930 233 HE1 HIS 28 HE1 HIS 28 -20.398 3.774 -17.005 234 HA PRO 29 HA PRO 29 -24.623 -2.752 -12.316 235 HB2 PRO 29 HB2 PRO 29 -26.088 -3.634 -14.425 236 HB3 PRO 29 HB3 PRO 29 -26.461 -2.142 -13.552 237 HG2 PRO 29 HG2 PRO 29 -25.005 -2.508 -16.142 238 HG3 PRO 29 HG3 PRO 29 -26.232 -1.304 -15.709 239 HD2 PRO 29 HD2 PRO 29 -23.584 -0.740 -15.733 240 HD3 PRO 29 HD3 PRO 29 -24.714 0.031 -14.601 241 H SER 30 H SER 30 -25.108 -5.128 -12.721 242 HA SER 30 HA SER 30 -22.750 -6.378 -13.966 243 HB2 SER 30 HB2 SER 30 -23.179 -8.278 -12.408 244 HB3 SER 30 HB3 SER 30 -22.830 -6.765 -11.572 245 HG SER 30 HG SER 30 -25.030 -8.310 -11.439 246 H HIS 31 H HIS 31 -25.418 -5.630 -15.161 247 HA HIS 31 HA HIS 31 -27.014 -7.854 -15.635 248 HB2 HIS 31 HB2 HIS 31 -27.861 -6.681 -17.560 249 HB3 HIS 31 HB3 HIS 31 -27.550 -5.501 -16.290 250 HD1 HIS 31 HD1 HIS 31 -27.316 -5.626 -19.720 251 HD2 HIS 31 HD2 HIS 31 -24.555 -4.628 -16.781 252 HE1 HIS 31 HE1 HIS 31 -25.581 -4.220 -20.877 253 H LYS 32 H LYS 32 -27.215 -9.108 -17.654 254 HA LYS 32 HA LYS 32 -24.927 -10.592 -18.202 255 HB2 LYS 32 HB2 LYS 32 -27.281 -11.323 -18.609 256 HB3 LYS 32 HB3 LYS 32 -27.323 -10.269 -20.016 257 HG2 LYS 32 HG2 LYS 32 -25.822 -11.587 -21.205 258 HG3 LYS 32 HG3 LYS 32 -25.226 -12.388 -19.749 259 HD2 LYS 32 HD2 LYS 32 -27.079 -13.771 -19.597 260 HD3 LYS 32 HD3 LYS 32 -28.092 -12.688 -20.554 261 HE2 LYS 32 HE2 LYS 32 -26.556 -13.238 -22.507 262 HE3 LYS 32 HE3 LYS 32 -25.920 -14.540 -21.502 263 HZ1 LYS 32 HZ1 LYS 32 -27.692 -15.787 -21.923 264 HZ2 LYS 32 HZ2 LYS 32 -28.114 -14.673 -23.124 265 HZ3 LYS 32 HZ3 LYS 32 -28.775 -14.534 -21.573 266 H GLN 33 H GLN 33 -23.614 -10.754 -20.080 267 HA GLN 33 HA GLN 33 -22.560 -8.356 -21.012 268 HB2 GLN 33 HB2 GLN 33 -22.319 -11.210 -21.822 269 HB3 GLN 33 HB3 GLN 33 -21.726 -9.992 -22.944 270 HG2 GLN 33 HG2 GLN 33 -19.862 -10.572 -21.681 271 HG3 GLN 33 HG3 GLN 33 -20.415 -9.057 -20.969 272 HE21 GLN 33 HE21 GLN 33 -19.381 -12.114 -20.307 273 HE22 GLN 33 HE22 GLN 33 -20.003 -12.285 -18.704 274 H THR 34 H THR 34 -22.381 -7.778 -23.398 275 HA THR 34 HA THR 34 -24.942 -8.145 -24.791 276 HB THR 34 HB THR 34 -24.469 -5.623 -25.519 277 HG1 THR 34 HG1 THR 34 -23.448 -4.467 -23.993 278 HG21 THR 34 HG21 THR 34 -26.503 -6.648 -24.396 279 HG22 THR 34 HG22 THR 34 -26.194 -4.948 -24.044 280 HG23 THR 34 HG23 THR 34 -25.768 -6.185 -22.862 281 HA PRO 35 HA PRO 35 -22.584 -8.736 -28.445 282 HB2 PRO 35 HB2 PRO 35 -24.142 -7.560 -30.331 283 HB3 PRO 35 HB3 PRO 35 -24.568 -9.087 -29.550 284 HG2 PRO 35 HG2 PRO 35 -25.540 -6.319 -28.955 285 HG3 PRO 35 HG3 PRO 35 -26.460 -7.832 -29.046 286 HD2 PRO 35 HD2 PRO 35 -25.699 -6.729 -26.693 287 HD3 PRO 35 HD3 PRO 35 -25.839 -8.484 -26.924 288 H ALA 36 H ALA 36 -23.574 -5.467 -27.667 289 HA ALA 36 HA ALA 36 -22.174 -4.022 -29.584 290 HB1 ALA 36 HB1 ALA 36 -22.031 -2.688 -27.046 291 HB2 ALA 36 HB2 ALA 36 -23.018 -2.305 -28.457 292 HB3 ALA 36 HB3 ALA 36 -23.612 -3.444 -27.248 293 H ASP 37 H ASP 37 -21.027 -5.698 -26.757 294 HA ASP 37 HA ASP 37 -18.592 -4.472 -26.297 295 HB2 ASP 37 HB2 ASP 37 -19.794 -6.542 -25.162 296 HB3 ASP 37 HB3 ASP 37 -18.719 -7.455 -26.217 297 H HIS 38 H HIS 38 -19.544 -6.601 -28.890 298 HA HIS 38 HA HIS 38 -17.060 -7.430 -29.830 299 HB2 HIS 38 HB2 HIS 38 -19.430 -8.087 -30.620 300 HB3 HIS 38 HB3 HIS 38 -19.311 -6.689 -31.685 301 HD1 HIS 38 HD1 HIS 38 -17.324 -9.847 -30.934 302 HD2 HIS 38 HD2 HIS 38 -18.171 -7.259 -34.071 303 HE1 HIS 38 HE1 HIS 38 -16.230 -10.863 -32.957 304 H ALA 39 H ALA 39 -18.644 -4.343 -30.072 305 HA ALA 39 HA ALA 39 -16.943 -3.321 -32.149 306 HB1 ALA 39 HB1 ALA 39 -19.351 -2.542 -31.004 307 HB2 ALA 39 HB2 ALA 39 -18.208 -1.281 -30.538 308 HB3 ALA 39 HB3 ALA 39 -18.438 -1.677 -32.241 309 H ALA 40 H ALA 40 -16.988 -3.261 -28.638 310 HA ALA 40 HA ALA 40 -15.111 -1.253 -28.169 311 HB1 ALA 40 HB1 ALA 40 -15.048 -1.987 -25.990 312 HB2 ALA 40 HB2 ALA 40 -16.588 -2.652 -26.533 313 HB3 ALA 40 HB3 ALA 40 -15.163 -3.687 -26.444 314 H ILE 41 H ILE 41 -14.702 -4.481 -29.351 315 HA ILE 41 HA ILE 41 -12.050 -4.991 -28.673 316 HB ILE 41 HB ILE 41 -13.449 -5.780 -31.231 317 HG12 ILE 41 HG12 ILE 41 -14.701 -6.464 -29.230 318 HG13 ILE 41 HG13 ILE 41 -14.008 -7.857 -30.053 319 HG21 ILE 41 HG21 ILE 41 -11.777 -7.797 -30.764 320 HG22 ILE 41 HG22 ILE 41 -11.311 -6.380 -31.703 321 HG23 ILE 41 HG23 ILE 41 -10.851 -6.502 -30.005 322 HD11 ILE 41 HD11 ILE 41 -12.872 -6.529 -27.604 323 HD12 ILE 41 HD12 ILE 41 -13.798 -8.030 -27.633 324 HD13 ILE 41 HD13 ILE 41 -12.220 -7.952 -28.415 325 H GLU 42 H GLU 42 -13.393 -2.823 -31.023 326 HA GLU 42 HA GLU 42 -11.292 -2.512 -32.802 327 HB2 GLU 42 HB2 GLU 42 -12.223 -0.391 -33.365 328 HB3 GLU 42 HB3 GLU 42 -13.565 -1.449 -32.953 329 HG2 GLU 42 HG2 GLU 42 -13.330 -0.412 -30.591 330 HG3 GLU 42 HG3 GLU 42 -12.446 0.860 -31.431 331 H ALA 43 H ALA 43 -11.669 -1.281 -29.547 332 HA ALA 43 HA ALA 43 -9.348 0.433 -29.724 333 HB1 ALA 43 HB1 ALA 43 -9.811 0.489 -27.138 334 HB2 ALA 43 HB2 ALA 43 -10.853 1.358 -28.266 335 HB3 ALA 43 HB3 ALA 43 -11.359 -0.204 -27.624 336 H LEU 44 H LEU 44 -10.131 -2.774 -28.572 337 HA LEU 44 HA LEU 44 -7.902 -3.255 -26.954 338 HB2 LEU 44 HB2 LEU 44 -9.801 -4.953 -28.487 339 HB3 LEU 44 HB3 LEU 44 -8.332 -5.701 -27.865 340 HG LEU 44 HG LEU 44 -9.098 -4.666 -25.596 341 HD11 LEU 44 HD11 LEU 44 -11.066 -3.585 -27.052 342 HD12 LEU 44 HD12 LEU 44 -11.243 -4.001 -25.347 343 HD13 LEU 44 HD13 LEU 44 -11.845 -5.098 -26.589 344 HD21 LEU 44 HD21 LEU 44 -9.094 -7.135 -26.559 345 HD22 LEU 44 HD22 LEU 44 -10.840 -6.919 -26.436 346 HD23 LEU 44 HD23 LEU 44 -9.826 -6.741 -25.004 347 H ASP 45 H ASP 45 -8.261 -3.223 -30.417 348 HA ASP 45 HA ASP 45 -6.029 -4.700 -31.190 349 HB2 ASP 45 HB2 ASP 45 -7.492 -4.095 -32.919 350 HB3 ASP 45 HB3 ASP 45 -7.496 -2.398 -32.447 351 H ARG 46 H ARG 46 -6.300 -1.340 -30.163 352 HA ARG 46 HA ARG 46 -3.723 -0.485 -30.848 353 HB2 ARG 46 HB2 ARG 46 -5.793 0.838 -29.955 354 HB3 ARG 46 HB3 ARG 46 -5.095 0.507 -28.375 355 HG2 ARG 46 HG2 ARG 46 -3.089 1.678 -28.943 356 HG3 ARG 46 HG3 ARG 46 -3.615 1.861 -30.617 357 HD2 ARG 46 HD2 ARG 46 -5.543 3.199 -29.805 358 HD3 ARG 46 HD3 ARG 46 -4.876 3.100 -28.176 359 HE ARG 46 HE ARG 46 -3.024 4.150 -30.099 360 HH11 ARG 46 HH11 ARG 46 -5.655 4.929 -27.956 361 HH12 ARG 46 HH12 ARG 46 -5.205 6.595 -27.798 362 HH21 ARG 46 HH21 ARG 46 -2.422 6.341 -29.899 363 HH22 ARG 46 HH22 ARG 46 -3.367 7.397 -28.904 364 H LEU 47 H LEU 47 -4.949 -1.959 -27.864 365 HA LEU 47 HA LEU 47 -2.530 -1.824 -26.422 366 HB2 LEU 47 HB2 LEU 47 -4.630 -3.944 -26.072 367 HB3 LEU 47 HB3 LEU 47 -3.534 -3.286 -24.859 368 HG LEU 47 HG LEU 47 -5.906 -1.897 -26.100 369 HD11 LEU 47 HD11 LEU 47 -6.943 -2.088 -24.009 370 HD12 LEU 47 HD12 LEU 47 -5.442 -2.549 -23.207 371 HD13 LEU 47 HD13 LEU 47 -6.237 -3.677 -24.306 372 HD21 LEU 47 HD21 LEU 47 -4.624 -0.067 -25.753 373 HD22 LEU 47 HD22 LEU 47 -3.583 -0.879 -24.584 374 HD23 LEU 47 HD23 LEU 47 -5.170 -0.286 -24.091 375 H LEU 48 H LEU 48 -4.034 -4.584 -28.111 376 HA LEU 48 HA LEU 48 -2.001 -6.426 -27.761 377 HB2 LEU 48 HB2 LEU 48 -3.707 -6.137 -30.227 378 HB3 LEU 48 HB3 LEU 48 -2.893 -7.598 -29.672 379 HG LEU 48 HG LEU 48 -5.032 -6.263 -28.037 380 HD11 LEU 48 HD11 LEU 48 -5.834 -6.812 -30.363 381 HD12 LEU 48 HD12 LEU 48 -6.695 -7.607 -29.045 382 HD13 LEU 48 HD13 LEU 48 -5.504 -8.503 -29.987 383 HD21 LEU 48 HD21 LEU 48 -3.475 -8.765 -27.946 384 HD22 LEU 48 HD22 LEU 48 -5.191 -8.908 -27.566 385 HD23 LEU 48 HD23 LEU 48 -4.170 -7.808 -26.637 386 H LEU 49 H LEU 49 -2.463 -4.214 -30.517 387 HA LEU 49 HA LEU 49 -0.198 -4.911 -31.964 388 HB2 LEU 49 HB2 LEU 49 -2.123 -3.367 -32.610 389 HB3 LEU 49 HB3 LEU 49 -1.236 -2.098 -31.767 390 HG LEU 49 HG LEU 49 0.132 -3.637 -33.928 391 HD11 LEU 49 HD11 LEU 49 -2.157 -1.800 -34.269 392 HD12 LEU 49 HD12 LEU 49 -1.583 -3.109 -35.303 393 HD13 LEU 49 HD13 LEU 49 -0.769 -1.545 -35.327 394 HD21 LEU 49 HD21 LEU 49 0.646 -0.894 -34.054 395 HD22 LEU 49 HD22 LEU 49 1.700 -2.153 -33.408 396 HD23 LEU 49 HD23 LEU 49 0.599 -1.286 -32.335 397 H ASP 50 H ASP 50 -0.558 -2.298 -29.569 398 HA ASP 50 HA ASP 50 2.019 -1.306 -29.617 399 HB2 ASP 50 HB2 ASP 50 -0.033 -1.497 -27.428 400 HB3 ASP 50 HB3 ASP 50 1.552 -0.794 -27.117 401 H VAL 51 H VAL 51 0.752 -3.800 -27.402 402 HA VAL 51 HA VAL 51 3.088 -4.417 -26.071 403 HB VAL 51 HB VAL 51 0.912 -6.351 -26.883 404 HG11 VAL 51 HG11 VAL 51 1.760 -7.374 -24.609 405 HG12 VAL 51 HG12 VAL 51 2.547 -7.771 -26.137 406 HG13 VAL 51 HG13 VAL 51 3.259 -6.566 -25.065 407 HG21 VAL 51 HG21 VAL 51 -0.402 -5.421 -25.348 408 HG22 VAL 51 HG22 VAL 51 0.878 -5.471 -24.136 409 HG23 VAL 51 HG23 VAL 51 0.763 -4.101 -25.240 410 H ARG 52 H ARG 52 1.843 -5.923 -29.049 411 HA ARG 52 HA ARG 52 4.018 -7.673 -29.425 412 HB2 ARG 52 HB2 ARG 52 1.724 -7.756 -30.536 413 HB3 ARG 52 HB3 ARG 52 2.323 -6.521 -31.635 414 HG2 ARG 52 HG2 ARG 52 2.710 -8.445 -32.827 415 HG3 ARG 52 HG3 ARG 52 4.268 -8.194 -32.037 416 HD2 ARG 52 HD2 ARG 52 2.193 -9.846 -30.674 417 HD3 ARG 52 HD3 ARG 52 3.105 -10.547 -32.010 418 HE ARG 52 HE ARG 52 4.893 -9.358 -30.200 419 HH11 ARG 52 HH11 ARG 52 2.724 -12.070 -30.440 420 HH12 ARG 52 HH12 ARG 52 3.630 -13.059 -29.343 421 HH21 ARG 52 HH21 ARG 52 6.096 -10.650 -28.755 422 HH22 ARG 52 HH22 ARG 52 5.548 -12.250 -28.385 423 H ALA 53 H ALA 53 3.585 -4.306 -30.113 424 HA ALA 53 HA ALA 53 5.755 -4.119 -31.991 425 HB1 ALA 53 HB1 ALA 53 3.871 -2.569 -32.096 426 HB2 ALA 53 HB2 ALA 53 4.291 -1.944 -30.500 427 HB3 ALA 53 HB3 ALA 53 5.394 -1.710 -31.857 428 H ARG 54 H ARG 54 5.547 -4.394 -28.643 429 HA ARG 54 HA ARG 54 7.044 -4.190 -26.943 430 HB2 ARG 54 HB2 ARG 54 9.081 -4.051 -29.174 431 HB3 ARG 54 HB3 ARG 54 9.412 -4.425 -27.488 432 HG2 ARG 54 HG2 ARG 54 8.534 -6.538 -27.639 433 HG3 ARG 54 HG3 ARG 54 7.476 -6.117 -28.987 434 HD2 ARG 54 HD2 ARG 54 10.464 -6.140 -29.270 435 HD3 ARG 54 HD3 ARG 54 9.505 -7.606 -29.471 436 HE ARG 54 HE ARG 54 8.344 -5.698 -31.093 437 HH11 ARG 54 HH11 ARG 54 11.441 -7.262 -30.811 438 HH12 ARG 54 HH12 ARG 54 11.800 -7.145 -32.502 439 HH21 ARG 54 HH21 ARG 54 8.805 -5.538 -33.321 440 HH22 ARG 54 HH22 ARG 54 10.301 -6.163 -33.928 441 H ARG 55 H ARG 55 5.775 -1.867 -27.512 442 HA ARG 55 HA ARG 55 7.870 0.123 -26.983 443 HB2 ARG 55 HB2 ARG 55 5.521 0.478 -28.854 444 HB3 ARG 55 HB3 ARG 55 6.586 1.776 -28.330 445 HG2 ARG 55 HG2 ARG 55 8.482 0.639 -29.383 446 HG3 ARG 55 HG3 ARG 55 7.398 -0.644 -29.926 447 HD2 ARG 55 HD2 ARG 55 6.068 1.400 -30.942 448 HD3 ARG 55 HD3 ARG 55 7.655 2.164 -30.874 449 HE ARG 55 HE ARG 55 6.808 0.091 -32.669 450 HH11 ARG 55 HH11 ARG 55 9.543 1.551 -31.085 451 HH12 ARG 55 HH12 ARG 55 10.682 1.020 -32.277 452 HH21 ARG 55 HH21 ARG 55 8.298 -0.613 -34.245 453 HH22 ARG 55 HH22 ARG 55 9.973 -0.210 -34.075 454 H VAL 56 H VAL 56 5.942 -1.400 -25.308 455 HA VAL 56 HA VAL 56 4.074 0.633 -24.392 456 HB VAL 56 HB VAL 56 3.299 -1.071 -22.799 457 HG11 VAL 56 HG11 VAL 56 2.645 -0.938 -25.319 458 HG12 VAL 56 HG12 VAL 56 3.500 -2.478 -25.427 459 HG13 VAL 56 HG13 VAL 56 2.117 -2.310 -24.345 460 HG21 VAL 56 HG21 VAL 56 5.385 -2.854 -24.054 461 HG22 VAL 56 HG22 VAL 56 5.473 -2.170 -22.431 462 HG23 VAL 56 HG23 VAL 56 4.201 -3.324 -22.834 463 H ASP 57 H ASP 57 3.904 0.847 -21.916 464 HA ASP 57 HA ASP 57 6.461 0.760 -20.541 465 HB2 ASP 57 HB2 ASP 57 6.379 3.155 -19.936 466 HB3 ASP 57 HB3 ASP 57 6.577 2.915 -21.670 467 H GLN 58 H GLN 58 6.093 1.903 -18.267 468 HA GLN 58 HA GLN 58 3.731 0.594 -17.154 469 HB2 GLN 58 HB2 GLN 58 4.822 0.730 -15.028 470 HB3 GLN 58 HB3 GLN 58 6.010 0.175 -16.200 471 HG2 GLN 58 HG2 GLN 58 6.846 2.510 -16.363 472 HG3 GLN 58 HG3 GLN 58 5.748 2.943 -15.053 473 HE21 GLN 58 HE21 GLN 58 6.493 2.797 -13.059 474 HE22 GLN 58 HE22 GLN 58 7.902 1.928 -12.565 475 H PHE 59 H PHE 59 2.141 1.640 -16.033 476 HA PHE 59 HA PHE 59 2.330 4.399 -15.296 477 HB2 PHE 59 HB2 PHE 59 1.795 4.190 -17.891 478 HB3 PHE 59 HB3 PHE 59 0.161 3.929 -17.289 479 HD1 PHE 59 HD2 PHE 59 3.029 6.258 -16.759 480 HD2 PHE 59 HD1 PHE 59 -1.189 5.765 -17.055 481 HE1 PHE 59 HE2 PHE 59 2.732 8.689 -16.527 482 HE2 PHE 59 HE1 PHE 59 -1.492 8.196 -16.824 483 HZ PHE 59 HZ PHE 59 0.469 9.662 -16.559 484 H GLN 60 H GLN 60 0.040 5.206 -14.623 485 HA GLN 60 HA GLN 60 -1.814 3.156 -13.827 486 HB2 GLN 60 HB2 GLN 60 -1.604 3.824 -11.367 487 HB3 GLN 60 HB3 GLN 60 -0.363 2.764 -12.021 488 HG2 GLN 60 HG2 GLN 60 1.265 4.338 -11.868 489 HG3 GLN 60 HG3 GLN 60 0.147 5.679 -12.113 490 HE21 GLN 60 HE21 GLN 60 -1.350 6.123 -10.304 491 HE22 GLN 60 HE22 GLN 60 -0.753 5.936 -8.694 492 H ILE 61 H ILE 61 -3.710 4.066 -14.222 493 HA ILE 61 HA ILE 61 -4.037 6.919 -14.293 494 HB ILE 61 HB ILE 61 -6.362 6.451 -14.911 495 HG12 ILE 61 HG12 ILE 61 -5.613 3.549 -14.490 496 HG13 ILE 61 HG13 ILE 61 -6.704 4.481 -13.471 497 HG21 ILE 61 HG21 ILE 61 -4.462 6.348 -16.561 498 HG22 ILE 61 HG22 ILE 61 -4.539 4.593 -16.418 499 HG23 ILE 61 HG23 ILE 61 -5.927 5.488 -17.034 500 HD11 ILE 61 HD11 ILE 61 -7.924 3.036 -14.993 501 HD12 ILE 61 HD12 ILE 61 -8.239 4.735 -15.347 502 HD13 ILE 61 HD13 ILE 61 -7.142 3.809 -16.371 503 H ASN 62 H ASN 62 -4.630 4.389 -12.004 504 HA ASN 62 HA ASN 62 -5.910 6.347 -10.213 505 HB2 ASN 62 HB2 ASN 62 -7.243 4.243 -11.114 506 HB3 ASN 62 HB3 ASN 62 -6.363 3.419 -9.830 507 HD21 ASN 62 HD21 ASN 62 -8.707 5.885 -10.576 508 HD22 ASN 62 HD22 ASN 62 -9.366 6.018 -8.985 509 H ALA 63 H ALA 63 -5.746 5.425 -7.832 510 HA ALA 63 HA ALA 63 -2.951 4.586 -7.411 511 HB1 ALA 63 HB1 ALA 63 -4.241 6.161 -5.281 512 HB2 ALA 63 HB2 ALA 63 -2.590 6.221 -5.901 513 HB3 ALA 63 HB3 ALA 63 -3.891 7.028 -6.777 514 H SER 64 H SER 64 -6.229 4.584 -6.059 515 HA SER 64 HA SER 64 -5.611 2.685 -4.012 516 HB2 SER 64 HB2 SER 64 -7.552 4.431 -4.128 517 HB3 SER 64 HB3 SER 64 -8.400 3.166 -5.017 518 HG SER 64 HG SER 64 -8.336 3.373 -2.473 519 H ALA 65 H ALA 65 -6.628 2.506 -7.323 520 HA ALA 65 HA ALA 65 -7.621 -0.165 -7.249 521 HB1 ALA 65 HB1 ALA 65 -7.608 -0.048 -9.665 522 HB2 ALA 65 HB2 ALA 65 -8.248 1.454 -8.997 523 HB3 ALA 65 HB3 ALA 65 -6.597 1.397 -9.616 524 H ALA 66 H ALA 66 -6.505 -1.714 -9.004 525 HA ALA 66 HA ALA 66 -4.184 -2.706 -7.804 526 HB1 ALA 66 HB1 ALA 66 -5.828 -3.945 -9.280 527 HB2 ALA 66 HB2 ALA 66 -4.966 -3.253 -10.654 528 HB3 ALA 66 HB3 ALA 66 -4.121 -4.313 -9.527 529 H GLN 67 H GLN 67 -2.074 -2.290 -8.044 530 HA GLN 67 HA GLN 67 -1.302 -0.276 -10.035 531 HB2 GLN 67 HB2 GLN 67 0.022 -1.160 -7.469 532 HB3 GLN 67 HB3 GLN 67 0.753 -0.036 -8.607 533 HG2 GLN 67 HG2 GLN 67 -1.710 0.346 -6.939 534 HG3 GLN 67 HG3 GLN 67 -0.214 1.277 -6.916 535 HE21 GLN 67 HE21 GLN 67 -3.230 0.733 -8.521 536 HE22 GLN 67 HE22 GLN 67 -3.170 2.116 -9.555 537 H ILE 68 H ILE 68 -1.123 -1.707 -11.800 538 HA ILE 68 HA ILE 68 0.790 -3.892 -11.622 539 HB ILE 68 HB ILE 68 -0.750 -2.964 -14.047 540 HG12 ILE 68 HG12 ILE 68 -2.052 -5.181 -13.334 541 HG13 ILE 68 HG13 ILE 68 -1.517 -4.679 -11.734 542 HG21 ILE 68 HG21 ILE 68 -0.323 -5.644 -14.307 543 HG22 ILE 68 HG22 ILE 68 0.673 -4.385 -15.035 544 HG23 ILE 68 HG23 ILE 68 1.157 -5.117 -13.505 545 HD11 ILE 68 HD11 ILE 68 -3.162 -3.213 -11.623 546 HD12 ILE 68 HD12 ILE 68 -2.602 -2.427 -13.099 547 HD13 ILE 68 HD13 ILE 68 -3.740 -3.771 -13.193 548 H ILE 69 H ILE 69 2.664 -4.050 -12.883 549 HA ILE 69 HA ILE 69 3.666 -1.475 -13.909 550 HB ILE 69 HB ILE 69 5.426 -3.710 -12.930 551 HG12 ILE 69 HG12 ILE 69 4.034 -3.113 -11.045 552 HG13 ILE 69 HG13 ILE 69 5.632 -2.414 -10.809 553 HG21 ILE 69 HG21 ILE 69 6.612 -2.171 -14.269 554 HG22 ILE 69 HG22 ILE 69 5.823 -0.788 -13.512 555 HG23 ILE 69 HG23 ILE 69 6.990 -1.746 -12.600 556 HD11 ILE 69 HD11 ILE 69 4.345 -0.639 -10.231 557 HD12 ILE 69 HD12 ILE 69 4.489 -0.331 -11.962 558 HD13 ILE 69 HD13 ILE 69 3.033 -1.091 -11.319 559 H VAL 70 H VAL 70 5.133 -1.559 -15.713 560 HA VAL 70 HA VAL 70 4.726 -3.939 -17.406 561 HB VAL 70 HB VAL 70 5.031 -1.065 -18.290 562 HG11 VAL 70 HG11 VAL 70 5.965 -2.190 -20.051 563 HG12 VAL 70 HG12 VAL 70 5.028 -3.656 -19.756 564 HG13 VAL 70 HG13 VAL 70 4.264 -2.256 -20.509 565 HG21 VAL 70 HG21 VAL 70 2.850 -1.291 -17.448 566 HG22 VAL 70 HG22 VAL 70 2.686 -1.513 -19.190 567 HG23 VAL 70 HG23 VAL 70 2.668 -2.913 -18.117 568 H THR 71 H THR 71 6.638 -4.960 -16.806 569 HA THR 71 HA THR 71 9.132 -3.544 -17.472 570 HB THR 71 HB THR 71 9.246 -4.257 -15.212 571 HG1 THR 71 HG1 THR 71 11.135 -5.207 -15.442 572 HG21 THR 71 HG21 THR 71 9.006 -6.861 -14.841 573 HG22 THR 71 HG22 THR 71 7.957 -6.733 -16.254 574 HG23 THR 71 HG23 THR 71 7.598 -5.800 -14.801 575 H ASP 72 H ASP 72 8.630 -4.028 -19.750 576 HA ASP 72 HA ASP 72 8.358 -6.540 -20.862 577 HB2 ASP 72 HB2 ASP 72 9.549 -5.509 -22.879 578 HB3 ASP 72 HB3 ASP 72 8.096 -4.693 -22.308 Start of MODEL 19 1 H1 MET 1 H MET 1 2.983 -6.047 0.586 2 HA MET 1 HA MET 1 1.321 -3.728 0.599 3 HB2 MET 1 HB2 MET 1 4.024 -3.599 -0.650 4 HB3 MET 1 HB3 MET 1 2.689 -2.832 -1.499 5 HG2 MET 1 HG2 MET 1 2.201 -1.500 0.502 6 HG3 MET 1 HG3 MET 1 3.571 -2.248 1.318 7 HE1 MET 1 HE1 MET 1 3.594 1.503 -0.988 8 HE2 MET 1 HE2 MET 1 2.618 0.254 -1.762 9 HE3 MET 1 HE3 MET 1 2.335 0.674 -0.071 10 H ASP 2 H ASP 2 0.065 -3.519 -1.339 11 HA ASP 2 HA ASP 2 -0.211 -6.066 -2.732 12 HB2 ASP 2 HB2 ASP 2 -1.980 -3.622 -2.574 13 HB3 ASP 2 HB3 ASP 2 -2.336 -5.008 -3.602 14 H ARG 3 H ARG 3 1.605 -5.924 -4.110 15 HA ARG 3 HA ARG 3 1.430 -3.860 -6.201 16 HB2 ARG 3 HB2 ARG 3 3.766 -5.537 -5.276 17 HB3 ARG 3 HB3 ARG 3 3.810 -4.492 -6.689 18 HG2 ARG 3 HG2 ARG 3 3.094 -2.631 -5.046 19 HG3 ARG 3 HG3 ARG 3 3.649 -3.750 -3.800 20 HD2 ARG 3 HD2 ARG 3 5.542 -2.483 -4.223 21 HD3 ARG 3 HD3 ARG 3 5.796 -3.905 -5.235 22 HE ARG 3 HE ARG 3 4.493 -2.025 -6.801 23 HH11 ARG 3 HH11 ARG 3 7.523 -2.327 -5.113 24 HH12 ARG 3 HH12 ARG 3 8.387 -1.304 -6.213 25 HH21 ARG 3 HH21 ARG 3 5.619 -0.677 -8.256 26 HH22 ARG 3 HH22 ARG 3 7.303 -0.365 -7.999 27 H ILE 4 H ILE 4 1.587 -4.449 -8.382 28 HA ILE 4 HA ILE 4 1.268 -7.320 -8.953 29 HB ILE 4 HB ILE 4 -0.306 -5.066 -10.204 30 HG12 ILE 4 HG12 ILE 4 -1.316 -7.426 -8.613 31 HG13 ILE 4 HG13 ILE 4 -0.978 -5.856 -7.892 32 HG21 ILE 4 HG21 ILE 4 -1.458 -6.844 -11.456 33 HG22 ILE 4 HG22 ILE 4 0.253 -6.735 -11.865 34 HG23 ILE 4 HG23 ILE 4 -0.319 -8.021 -10.802 35 HD11 ILE 4 HD11 ILE 4 -3.388 -6.419 -8.571 36 HD12 ILE 4 HD12 ILE 4 -2.739 -4.834 -8.997 37 HD13 ILE 4 HD13 ILE 4 -2.839 -6.103 -10.217 38 H PHE 5 H PHE 5 3.064 -7.870 -10.010 39 HA PHE 5 HA PHE 5 4.128 -6.028 -12.040 40 HB2 PHE 5 HB2 PHE 5 6.201 -7.488 -11.856 41 HB3 PHE 5 HB3 PHE 5 5.815 -6.513 -10.441 42 HD1 PHE 5 HD2 PHE 5 5.024 -7.545 -8.396 43 HD2 PHE 5 HD1 PHE 5 6.008 -9.889 -11.810 44 HE1 PHE 5 HE2 PHE 5 5.054 -9.567 -6.995 45 HE2 PHE 5 HE1 PHE 5 6.038 -11.915 -10.415 46 HZ PHE 5 HZ PHE 5 5.562 -11.756 -8.004 47 H MET 6 H MET 6 3.977 -6.543 -14.124 48 HA MET 6 HA MET 6 3.557 -9.357 -14.861 49 HB2 MET 6 HB2 MET 6 1.767 -7.082 -15.296 50 HB3 MET 6 HB3 MET 6 2.130 -7.973 -16.768 51 HG2 MET 6 HG2 MET 6 0.173 -8.926 -15.879 52 HG3 MET 6 HG3 MET 6 1.476 -10.062 -15.538 53 HE1 MET 6 HE1 MET 6 -0.643 -10.796 -12.602 54 HE2 MET 6 HE2 MET 6 -1.645 -9.653 -13.496 55 HE3 MET 6 HE3 MET 6 -0.672 -10.841 -14.365 56 H THR 7 H THR 7 4.443 -10.002 -16.813 57 HA THR 7 HA THR 7 6.600 -8.343 -17.786 58 HB THR 7 HB THR 7 7.293 -10.252 -19.086 59 HG1 THR 7 HG1 THR 7 5.965 -12.143 -19.126 60 HG21 THR 7 HG21 THR 7 6.614 -11.939 -16.891 61 HG22 THR 7 HG22 THR 7 6.913 -10.313 -16.276 62 HG23 THR 7 HG23 THR 7 8.147 -11.136 -17.230 63 H ARG 8 H ARG 8 6.908 -8.692 -20.354 64 HA ARG 8 HA ARG 8 5.194 -6.923 -21.604 65 HB2 ARG 8 HB2 ARG 8 6.110 -7.862 -23.753 66 HB3 ARG 8 HB3 ARG 8 7.323 -7.364 -22.582 67 HG2 ARG 8 HG2 ARG 8 7.490 -9.759 -21.870 68 HG3 ARG 8 HG3 ARG 8 6.452 -10.165 -23.238 69 HD2 ARG 8 HD2 ARG 8 8.938 -8.547 -23.641 70 HD3 ARG 8 HD3 ARG 8 9.027 -10.303 -23.507 71 HE ARG 8 HE ARG 8 7.066 -9.552 -25.404 72 HH11 ARG 8 HH11 ARG 8 10.512 -9.753 -24.953 73 HH12 ARG 8 HH12 ARG 8 10.852 -9.962 -26.639 74 HH21 ARG 8 HH21 ARG 8 7.500 -9.826 -27.626 75 HH22 ARG 8 HH22 ARG 8 9.138 -10.002 -28.158 76 H THR 9 H THR 9 5.143 -10.474 -21.728 77 HA THR 9 HA THR 9 2.752 -10.536 -23.324 78 HB THR 9 HB THR 9 2.847 -12.935 -23.120 79 HG1 THR 9 HG1 THR 9 5.005 -12.669 -21.293 80 HG21 THR 9 HG21 THR 9 5.753 -12.363 -23.237 81 HG22 THR 9 HG22 THR 9 4.719 -11.484 -24.364 82 HG23 THR 9 HG23 THR 9 4.726 -13.247 -24.364 83 H GLU 10 H GLU 10 3.560 -11.173 -19.929 84 HA GLU 10 HA GLU 10 1.017 -12.000 -19.093 85 HB2 GLU 10 HB2 GLU 10 3.451 -11.769 -17.895 86 HB3 GLU 10 HB3 GLU 10 2.582 -10.440 -17.143 87 HG2 GLU 10 HG2 GLU 10 2.418 -12.453 -15.806 88 HG3 GLU 10 HG3 GLU 10 0.836 -11.976 -16.420 89 H ALA 11 H ALA 11 2.170 -8.919 -20.003 90 HA ALA 11 HA ALA 11 0.745 -7.128 -18.489 91 HB1 ALA 11 HB1 ALA 11 2.363 -6.614 -20.344 92 HB2 ALA 11 HB2 ALA 11 1.036 -6.885 -21.474 93 HB3 ALA 11 HB3 ALA 11 0.930 -5.588 -20.284 94 H LEU 12 H LEU 12 -0.448 -9.350 -20.886 95 HA LEU 12 HA LEU 12 -2.852 -8.265 -21.635 96 HB2 LEU 12 HB2 LEU 12 -3.678 -10.568 -21.866 97 HB3 LEU 12 HB3 LEU 12 -2.062 -10.352 -22.536 98 HG LEU 12 HG LEU 12 -1.453 -11.245 -20.056 99 HD11 LEU 12 HD11 LEU 12 -2.989 -12.600 -19.124 100 HD12 LEU 12 HD12 LEU 12 -3.628 -13.127 -20.680 101 HD13 LEU 12 HD13 LEU 12 -4.125 -11.577 -20.003 102 HD21 LEU 12 HD21 LEU 12 -2.120 -13.273 -22.134 103 HD22 LEU 12 HD22 LEU 12 -0.683 -13.123 -21.122 104 HD23 LEU 12 HD23 LEU 12 -0.910 -12.042 -22.498 105 H GLU 13 H GLU 13 -2.144 -10.071 -18.664 106 HA GLU 13 HA GLU 13 -4.715 -10.176 -17.609 107 HB2 GLU 13 HB2 GLU 13 -2.634 -11.322 -16.731 108 HB3 GLU 13 HB3 GLU 13 -2.208 -9.793 -15.975 109 HG2 GLU 13 HG2 GLU 13 -3.971 -9.895 -14.474 110 HG3 GLU 13 HG3 GLU 13 -4.865 -11.057 -15.452 111 H PHE 14 H PHE 14 -2.302 -7.609 -17.463 112 HA PHE 14 HA PHE 14 -3.723 -5.959 -15.643 113 HB2 PHE 14 HB2 PHE 14 -1.405 -5.535 -15.841 114 HB3 PHE 14 HB3 PHE 14 -1.491 -5.437 -17.597 115 HD1 PHE 14 HD2 PHE 14 -3.630 -3.786 -15.047 116 HD2 PHE 14 HD1 PHE 14 -0.701 -3.316 -18.100 117 HE1 PHE 14 HE2 PHE 14 -3.867 -1.342 -14.894 118 HE2 PHE 14 HE1 PHE 14 -0.933 -0.871 -17.950 119 HZ PHE 14 HZ PHE 14 -2.519 0.119 -16.347 120 H LEU 15 H LEU 15 -3.421 -5.934 -19.183 121 HA LEU 15 HA LEU 15 -4.965 -3.694 -19.727 122 HB2 LEU 15 HB2 LEU 15 -4.538 -6.237 -21.272 123 HB3 LEU 15 HB3 LEU 15 -5.471 -4.886 -21.913 124 HG LEU 15 HG LEU 15 -2.606 -4.604 -21.037 125 HD11 LEU 15 HD11 LEU 15 -1.814 -5.275 -23.050 126 HD12 LEU 15 HD12 LEU 15 -3.277 -4.800 -23.912 127 HD13 LEU 15 HD13 LEU 15 -3.247 -6.302 -22.990 128 HD21 LEU 15 HD21 LEU 15 -3.634 -2.928 -23.180 129 HD22 LEU 15 HD22 LEU 15 -2.783 -2.482 -21.701 130 HD23 LEU 15 HD23 LEU 15 -4.528 -2.736 -21.673 131 H LEU 16 H LEU 16 -5.978 -7.058 -19.270 132 HA LEU 16 HA LEU 16 -8.758 -6.443 -19.694 133 HB2 LEU 16 HB2 LEU 16 -7.540 -8.663 -20.139 134 HB3 LEU 16 HB3 LEU 16 -7.706 -8.939 -18.406 135 HG LEU 16 HG LEU 16 -10.130 -8.319 -20.041 136 HD11 LEU 16 HD11 LEU 16 -8.682 -10.950 -19.915 137 HD12 LEU 16 HD12 LEU 16 -9.194 -10.053 -21.344 138 HD13 LEU 16 HD13 LEU 16 -10.397 -10.814 -20.302 139 HD21 LEU 16 HD21 LEU 16 -9.504 -9.199 -17.362 140 HD22 LEU 16 HD22 LEU 16 -10.611 -10.313 -18.164 141 HD23 LEU 16 HD23 LEU 16 -11.026 -8.604 -18.026 142 H LYS 17 H LYS 17 -6.579 -6.599 -17.005 143 HA LYS 17 HA LYS 17 -8.438 -6.951 -14.920 144 HB2 LYS 17 HB2 LYS 17 -6.118 -7.252 -14.447 145 HB3 LYS 17 HB3 LYS 17 -5.726 -5.633 -15.010 146 HG2 LYS 17 HG2 LYS 17 -6.791 -4.639 -13.120 147 HG3 LYS 17 HG3 LYS 17 -7.447 -6.196 -12.607 148 HD2 LYS 17 HD2 LYS 17 -4.495 -5.897 -12.909 149 HD3 LYS 17 HD3 LYS 17 -5.284 -5.207 -11.489 150 HE2 LYS 17 HE2 LYS 17 -5.506 -8.079 -12.384 151 HE3 LYS 17 HE3 LYS 17 -4.450 -7.495 -11.098 152 HZ1 LYS 17 HZ1 LYS 17 -7.198 -8.158 -10.979 153 HZ2 LYS 17 HZ2 LYS 17 -6.980 -6.547 -10.516 154 HZ3 LYS 17 HZ3 LYS 17 -6.140 -7.777 -9.715 155 H ALA 18 H ALA 18 -6.958 -3.964 -16.188 156 HA ALA 18 HA ALA 18 -8.314 -2.135 -14.612 157 HB1 ALA 18 HB1 ALA 18 -7.882 -0.505 -16.417 158 HB2 ALA 18 HB2 ALA 18 -6.464 -1.474 -16.013 159 HB3 ALA 18 HB3 ALA 18 -7.393 -1.836 -17.467 160 H HIS 19 H HIS 19 -9.400 -3.877 -17.445 161 HA HIS 19 HA HIS 19 -11.613 -2.371 -18.179 162 HB2 HIS 19 HB2 HIS 19 -10.685 -4.375 -19.388 163 HB3 HIS 19 HB3 HIS 19 -11.491 -5.390 -18.196 164 HD1 HIS 19 HD1 HIS 19 -12.757 -6.327 -20.384 165 HD2 HIS 19 HD2 HIS 19 -13.677 -2.440 -19.239 166 HE1 HIS 19 HE1 HIS 19 -14.908 -5.770 -21.562 167 H GLN 20 H GLN 20 -11.436 -5.037 -15.829 168 HA GLN 20 HA GLN 20 -14.121 -5.054 -15.079 169 HB2 GLN 20 HB2 GLN 20 -12.145 -6.654 -14.463 170 HB3 GLN 20 HB3 GLN 20 -11.960 -5.590 -13.075 171 HG2 GLN 20 HG2 GLN 20 -13.954 -6.226 -12.142 172 HG3 GLN 20 HG3 GLN 20 -14.650 -6.703 -13.691 173 HE21 GLN 20 HE21 GLN 20 -15.306 -8.647 -12.624 174 HE22 GLN 20 HE22 GLN 20 -14.182 -9.940 -12.407 175 H THR 21 H THR 21 -11.504 -2.950 -14.133 176 HA THR 21 HA THR 21 -12.918 -1.781 -11.917 177 HB THR 21 HB THR 21 -10.543 -0.544 -13.293 178 HG1 THR 21 HG1 THR 21 -10.690 -2.863 -11.714 179 HG21 THR 21 HG21 THR 21 -11.906 -0.295 -10.672 180 HG22 THR 21 HG22 THR 21 -11.100 0.930 -11.651 181 HG23 THR 21 HG23 THR 21 -10.146 -0.184 -10.673 182 H ALA 22 H ALA 22 -12.181 -0.855 -15.254 183 HA ALA 22 HA ALA 22 -13.243 1.735 -15.189 184 HB1 ALA 22 HB1 ALA 22 -12.631 1.777 -17.331 185 HB2 ALA 22 HB2 ALA 22 -12.038 0.134 -17.087 186 HB3 ALA 22 HB3 ALA 22 -13.657 0.400 -17.734 187 H VAL 23 H VAL 23 -14.774 -1.361 -16.014 188 HA VAL 23 HA VAL 23 -17.290 -0.349 -16.723 189 HB VAL 23 HB VAL 23 -16.635 -3.030 -15.493 190 HG11 VAL 23 HG11 VAL 23 -19.103 -1.938 -16.798 191 HG12 VAL 23 HG12 VAL 23 -18.749 -3.667 -16.815 192 HG13 VAL 23 HG13 VAL 23 -18.946 -2.821 -15.280 193 HG21 VAL 23 HG21 VAL 23 -17.047 -2.419 -18.406 194 HG22 VAL 23 HG22 VAL 23 -15.456 -2.354 -17.647 195 HG23 VAL 23 HG23 VAL 23 -16.359 -3.868 -17.674 196 H ASP 24 H ASP 24 -15.838 -0.968 -13.618 197 HA ASP 24 HA ASP 24 -18.334 -0.741 -12.175 198 HB2 ASP 24 HB2 ASP 24 -16.487 -2.202 -11.378 199 HB3 ASP 24 HB3 ASP 24 -15.502 -0.766 -11.112 200 H LYS 25 H LYS 25 -15.552 1.272 -12.921 201 HA LYS 25 HA LYS 25 -16.042 3.387 -11.160 202 HB2 LYS 25 HB2 LYS 25 -13.990 3.009 -12.604 203 HB3 LYS 25 HB3 LYS 25 -14.910 3.684 -13.942 204 HG2 LYS 25 HG2 LYS 25 -13.632 5.460 -13.118 205 HG3 LYS 25 HG3 LYS 25 -15.254 5.729 -12.475 206 HD2 LYS 25 HD2 LYS 25 -14.357 4.375 -10.430 207 HD3 LYS 25 HD3 LYS 25 -12.775 4.833 -11.066 208 HE2 LYS 25 HE2 LYS 25 -14.954 6.845 -10.578 209 HE3 LYS 25 HE3 LYS 25 -13.820 6.366 -9.317 210 HZ1 LYS 25 HZ1 LYS 25 -13.441 8.297 -11.247 211 HZ2 LYS 25 HZ2 LYS 25 -12.442 7.013 -11.708 212 HZ3 LYS 25 HZ3 LYS 25 -12.285 7.696 -10.168 213 H ILE 26 H ILE 26 -17.255 2.786 -14.431 214 HA ILE 26 HA ILE 26 -18.660 5.240 -14.669 215 HB ILE 26 HB ILE 26 -19.873 4.123 -16.531 216 HG12 ILE 26 HG12 ILE 26 -18.139 1.739 -15.852 217 HG13 ILE 26 HG13 ILE 26 -19.859 1.846 -15.495 218 HG21 ILE 26 HG21 ILE 26 -16.996 3.450 -16.898 219 HG22 ILE 26 HG22 ILE 26 -18.103 4.300 -17.975 220 HG23 ILE 26 HG23 ILE 26 -17.444 5.123 -16.561 221 HD11 ILE 26 HD11 ILE 26 -19.344 0.550 -17.529 222 HD12 ILE 26 HD12 ILE 26 -20.388 1.939 -17.832 223 HD13 ILE 26 HD13 ILE 26 -18.678 2.012 -18.255 224 H GLY 27 H GLY 27 -19.361 2.239 -13.108 225 HA2 GLY 27 HA2 GLY 27 -21.051 2.051 -11.450 226 HA3 GLY 27 HA3 GLY 27 -21.945 3.333 -12.255 227 H HIS 28 H HIS 28 -20.560 0.556 -13.897 228 HA HIS 28 HA HIS 28 -23.279 -0.260 -14.648 229 HB2 HIS 28 HB2 HIS 28 -20.614 -0.452 -15.984 230 HB3 HIS 28 HB3 HIS 28 -21.837 -1.659 -16.368 231 HD1 HIS 28 HD1 HIS 28 -22.469 2.030 -15.799 232 HD2 HIS 28 HD2 HIS 28 -22.572 -0.787 -18.852 233 HE1 HIS 28 HE1 HIS 28 -23.498 3.209 -17.768 234 HA PRO 29 HA PRO 29 -23.060 -4.056 -12.459 235 HB2 PRO 29 HB2 PRO 29 -24.364 -5.741 -14.140 236 HB3 PRO 29 HB3 PRO 29 -25.189 -4.486 -13.208 237 HG2 PRO 29 HG2 PRO 29 -24.326 -4.458 -16.075 238 HG3 PRO 29 HG3 PRO 29 -25.846 -3.892 -15.359 239 HD2 PRO 29 HD2 PRO 29 -23.837 -2.207 -16.033 240 HD3 PRO 29 HD3 PRO 29 -24.922 -1.899 -14.662 241 H SER 30 H SER 30 -22.660 -6.542 -12.967 242 HA SER 30 HA SER 30 -20.160 -6.658 -14.518 243 HB2 SER 30 HB2 SER 30 -19.573 -8.591 -13.064 244 HB3 SER 30 HB3 SER 30 -19.812 -7.101 -12.153 245 HG SER 30 HG SER 30 -20.875 -9.193 -11.438 246 H HIS 31 H HIS 31 -23.014 -7.069 -15.407 247 HA HIS 31 HA HIS 31 -23.537 -9.769 -15.896 248 HB2 HIS 31 HB2 HIS 31 -24.359 -7.221 -17.247 249 HB3 HIS 31 HB3 HIS 31 -24.794 -8.771 -17.960 250 HD1 HIS 31 HD1 HIS 31 -24.784 -8.199 -14.245 251 HD2 HIS 31 HD2 HIS 31 -27.493 -8.568 -17.373 252 HE1 HIS 31 HE1 HIS 31 -27.044 -8.388 -13.158 253 H LYS 32 H LYS 32 -23.559 -10.774 -18.126 254 HA LYS 32 HA LYS 32 -20.970 -11.187 -19.034 255 HB2 LYS 32 HB2 LYS 32 -23.668 -11.711 -20.242 256 HB3 LYS 32 HB3 LYS 32 -22.204 -12.059 -21.153 257 HG2 LYS 32 HG2 LYS 32 -21.480 -13.425 -19.119 258 HG3 LYS 32 HG3 LYS 32 -23.163 -13.304 -18.601 259 HD2 LYS 32 HD2 LYS 32 -22.307 -14.352 -21.295 260 HD3 LYS 32 HD3 LYS 32 -22.604 -15.380 -19.891 261 HE2 LYS 32 HE2 LYS 32 -24.709 -13.438 -20.696 262 HE3 LYS 32 HE3 LYS 32 -24.490 -14.885 -21.677 263 HZ1 LYS 32 HZ1 LYS 32 -24.487 -15.824 -19.125 264 HZ2 LYS 32 HZ2 LYS 32 -25.796 -15.875 -20.194 265 HZ3 LYS 32 HZ3 LYS 32 -25.663 -14.609 -19.080 266 H GLN 33 H GLN 33 -19.888 -10.587 -20.963 267 HA GLN 33 HA GLN 33 -19.882 -7.877 -21.555 268 HB2 GLN 33 HB2 GLN 33 -18.160 -9.792 -22.080 269 HB3 GLN 33 HB3 GLN 33 -19.003 -9.853 -23.622 270 HG2 GLN 33 HG2 GLN 33 -17.293 -8.401 -24.085 271 HG3 GLN 33 HG3 GLN 33 -18.591 -7.290 -23.650 272 HE21 GLN 33 HE21 GLN 33 -18.491 -6.182 -21.701 273 HE22 GLN 33 HE22 GLN 33 -17.032 -6.061 -20.784 274 H THR 34 H THR 34 -21.281 -6.647 -22.605 275 HA THR 34 HA THR 34 -23.566 -7.564 -23.901 276 HB THR 34 HB THR 34 -23.389 -5.168 -25.039 277 HG1 THR 34 HG1 THR 34 -21.982 -3.833 -24.026 278 HG21 THR 34 HG21 THR 34 -23.920 -5.784 -22.138 279 HG22 THR 34 HG22 THR 34 -25.088 -5.625 -23.451 280 HG23 THR 34 HG23 THR 34 -24.236 -4.202 -22.850 281 HA PRO 35 HA PRO 35 -22.415 -8.655 -27.994 282 HB2 PRO 35 HB2 PRO 35 -24.485 -7.678 -29.453 283 HB3 PRO 35 HB3 PRO 35 -24.635 -9.087 -28.397 284 HG2 PRO 35 HG2 PRO 35 -25.417 -6.243 -27.884 285 HG3 PRO 35 HG3 PRO 35 -26.302 -7.733 -27.506 286 HD2 PRO 35 HD2 PRO 35 -24.880 -6.372 -25.647 287 HD3 PRO 35 HD3 PRO 35 -25.061 -8.137 -25.606 288 H ALA 36 H ALA 36 -22.949 -5.322 -27.222 289 HA ALA 36 HA ALA 36 -22.091 -4.260 -29.743 290 HB1 ALA 36 HB1 ALA 36 -21.774 -2.401 -27.574 291 HB2 ALA 36 HB2 ALA 36 -22.912 -2.368 -28.922 292 HB3 ALA 36 HB3 ALA 36 -23.319 -3.241 -27.445 293 H ASP 37 H ASP 37 -20.536 -5.314 -26.834 294 HA ASP 37 HA ASP 37 -18.152 -3.888 -26.911 295 HB2 ASP 37 HB2 ASP 37 -18.963 -5.521 -25.126 296 HB3 ASP 37 HB3 ASP 37 -18.328 -6.803 -26.154 297 H HIS 38 H HIS 38 -19.284 -6.455 -28.944 298 HA HIS 38 HA HIS 38 -16.932 -7.507 -29.951 299 HB2 HIS 38 HB2 HIS 38 -19.063 -8.465 -30.549 300 HB3 HIS 38 HB3 HIS 38 -19.556 -6.979 -31.356 301 HD1 HIS 38 HD1 HIS 38 -19.066 -6.825 -33.794 302 HD2 HIS 38 HD2 HIS 38 -16.871 -9.823 -31.936 303 HE1 HIS 38 HE1 HIS 38 -17.892 -8.048 -35.651 304 H ALA 39 H ALA 39 -18.661 -4.582 -30.953 305 HA ALA 39 HA ALA 39 -16.828 -3.956 -33.058 306 HB1 ALA 39 HB1 ALA 39 -19.221 -2.727 -31.865 307 HB2 ALA 39 HB2 ALA 39 -18.062 -1.603 -32.576 308 HB3 ALA 39 HB3 ALA 39 -18.751 -2.896 -33.557 309 H ALA 40 H ALA 40 -17.031 -3.254 -29.655 310 HA ALA 40 HA ALA 40 -15.358 -1.009 -29.523 311 HB1 ALA 40 HB1 ALA 40 -15.872 -1.161 -27.371 312 HB2 ALA 40 HB2 ALA 40 -16.668 -2.702 -27.696 313 HB3 ALA 40 HB3 ALA 40 -14.968 -2.669 -27.227 314 H ILE 41 H ILE 41 -14.654 -4.363 -30.019 315 HA ILE 41 HA ILE 41 -12.009 -4.505 -29.153 316 HB ILE 41 HB ILE 41 -13.216 -5.908 -31.540 317 HG12 ILE 41 HG12 ILE 41 -12.950 -6.943 -28.716 318 HG13 ILE 41 HG13 ILE 41 -14.413 -6.169 -29.316 319 HG21 ILE 41 HG21 ILE 41 -10.621 -6.108 -30.149 320 HG22 ILE 41 HG22 ILE 41 -11.407 -7.631 -30.562 321 HG23 ILE 41 HG23 ILE 41 -11.042 -6.457 -31.826 322 HD11 ILE 41 HD11 ILE 41 -14.879 -7.912 -30.775 323 HD12 ILE 41 HD12 ILE 41 -13.226 -8.523 -30.726 324 HD13 ILE 41 HD13 ILE 41 -14.282 -8.725 -29.328 325 H GLU 42 H GLU 42 -13.384 -2.946 -31.920 326 HA GLU 42 HA GLU 42 -11.241 -2.838 -33.671 327 HB2 GLU 42 HB2 GLU 42 -12.284 -0.942 -34.664 328 HB3 GLU 42 HB3 GLU 42 -13.574 -1.979 -34.072 329 HG2 GLU 42 HG2 GLU 42 -13.551 -0.503 -31.984 330 HG3 GLU 42 HG3 GLU 42 -12.601 0.622 -32.953 331 H ALA 43 H ALA 43 -11.811 -1.045 -30.721 332 HA ALA 43 HA ALA 43 -9.600 0.764 -31.170 333 HB1 ALA 43 HB1 ALA 43 -10.200 1.791 -29.131 334 HB2 ALA 43 HB2 ALA 43 -11.717 1.351 -29.916 335 HB3 ALA 43 HB3 ALA 43 -11.094 0.370 -28.590 336 H LEU 44 H LEU 44 -10.240 -2.181 -29.374 337 HA LEU 44 HA LEU 44 -7.982 -2.171 -27.710 338 HB2 LEU 44 HB2 LEU 44 -9.467 -4.512 -28.893 339 HB3 LEU 44 HB3 LEU 44 -8.322 -4.604 -27.557 340 HG LEU 44 HG LEU 44 -10.911 -3.059 -27.469 341 HD11 LEU 44 HD11 LEU 44 -10.448 -5.875 -27.297 342 HD12 LEU 44 HD12 LEU 44 -11.963 -4.983 -27.159 343 HD13 LEU 44 HD13 LEU 44 -10.972 -5.265 -25.728 344 HD21 LEU 44 HD21 LEU 44 -9.489 -2.128 -25.873 345 HD22 LEU 44 HD22 LEU 44 -8.759 -3.684 -25.476 346 HD23 LEU 44 HD23 LEU 44 -10.409 -3.327 -24.963 347 H ASP 45 H ASP 45 -8.359 -2.884 -31.079 348 HA ASP 45 HA ASP 45 -6.189 -4.506 -31.613 349 HB2 ASP 45 HB2 ASP 45 -7.756 -3.952 -33.355 350 HB3 ASP 45 HB3 ASP 45 -7.343 -2.243 -33.251 351 H ARG 46 H ARG 46 -6.266 -1.085 -30.884 352 HA ARG 46 HA ARG 46 -3.640 -0.454 -31.711 353 HB2 ARG 46 HB2 ARG 46 -5.586 1.127 -31.101 354 HB3 ARG 46 HB3 ARG 46 -5.054 0.915 -29.438 355 HG2 ARG 46 HG2 ARG 46 -2.969 1.924 -29.869 356 HG3 ARG 46 HG3 ARG 46 -3.205 1.836 -31.616 357 HD2 ARG 46 HD2 ARG 46 -4.775 3.561 -31.610 358 HD3 ARG 46 HD3 ARG 46 -5.085 3.397 -29.882 359 HE ARG 46 HE ARG 46 -2.427 4.134 -30.159 360 HH11 ARG 46 HH11 ARG 46 -5.565 5.458 -30.882 361 HH12 ARG 46 HH12 ARG 46 -5.056 7.104 -30.703 362 HH21 ARG 46 HH21 ARG 46 -1.744 6.298 -29.921 363 HH22 ARG 46 HH22 ARG 46 -2.882 7.581 -30.158 364 H LEU 47 H LEU 47 -4.938 -1.096 -28.450 365 HA LEU 47 HA LEU 47 -2.531 -1.023 -27.068 366 HB2 LEU 47 HB2 LEU 47 -4.809 -2.879 -26.427 367 HB3 LEU 47 HB3 LEU 47 -3.634 -2.190 -25.310 368 HG LEU 47 HG LEU 47 -5.807 -0.674 -26.755 369 HD11 LEU 47 HD11 LEU 47 -5.542 -1.231 -23.811 370 HD12 LEU 47 HD12 LEU 47 -6.515 -2.218 -24.901 371 HD13 LEU 47 HD13 LEU 47 -6.910 -0.516 -24.664 372 HD21 LEU 47 HD21 LEU 47 -3.930 0.312 -24.616 373 HD22 LEU 47 HD22 LEU 47 -5.110 1.249 -25.534 374 HD23 LEU 47 HD23 LEU 47 -3.684 0.592 -26.340 375 H LEU 48 H LEU 48 -4.187 -3.845 -28.471 376 HA LEU 48 HA LEU 48 -2.325 -5.784 -27.751 377 HB2 LEU 48 HB2 LEU 48 -3.947 -5.717 -30.290 378 HB3 LEU 48 HB3 LEU 48 -3.257 -7.143 -29.516 379 HG LEU 48 HG LEU 48 -5.366 -5.433 -28.215 380 HD11 LEU 48 HD11 LEU 48 -5.888 -8.026 -29.630 381 HD12 LEU 48 HD12 LEU 48 -6.045 -6.470 -30.444 382 HD13 LEU 48 HD13 LEU 48 -7.047 -6.835 -29.040 383 HD21 LEU 48 HD21 LEU 48 -3.822 -7.783 -27.471 384 HD22 LEU 48 HD22 LEU 48 -5.562 -8.033 -27.326 385 HD23 LEU 48 HD23 LEU 48 -4.788 -6.698 -26.471 386 H LEU 49 H LEU 49 -2.533 -3.926 -30.783 387 HA LEU 49 HA LEU 49 -0.293 -4.999 -32.040 388 HB2 LEU 49 HB2 LEU 49 -1.854 -3.635 -33.245 389 HB3 LEU 49 HB3 LEU 49 -1.504 -2.247 -32.218 390 HG LEU 49 HG LEU 49 0.843 -2.302 -33.161 391 HD11 LEU 49 HD11 LEU 49 -0.187 -3.761 -35.515 392 HD12 LEU 49 HD12 LEU 49 0.234 -4.727 -34.102 393 HD13 LEU 49 HD13 LEU 49 1.444 -3.683 -34.848 394 HD21 LEU 49 HD21 LEU 49 -0.468 -0.565 -33.953 395 HD22 LEU 49 HD22 LEU 49 -1.608 -1.650 -34.750 396 HD23 LEU 49 HD23 LEU 49 -0.003 -1.397 -35.437 397 H ASP 50 H ASP 50 -0.541 -2.148 -29.934 398 HA ASP 50 HA ASP 50 2.117 -1.324 -30.059 399 HB2 ASP 50 HB2 ASP 50 0.017 -1.071 -27.915 400 HB3 ASP 50 HB3 ASP 50 1.631 -0.396 -27.709 401 H VAL 51 H VAL 51 0.630 -3.212 -27.419 402 HA VAL 51 HA VAL 51 2.964 -3.873 -26.082 403 HB VAL 51 HB VAL 51 0.465 -5.555 -26.324 404 HG11 VAL 51 HG11 VAL 51 1.314 -6.243 -23.955 405 HG12 VAL 51 HG12 VAL 51 1.986 -7.016 -25.392 406 HG13 VAL 51 HG13 VAL 51 2.882 -5.732 -24.579 407 HG21 VAL 51 HG21 VAL 51 0.709 -3.019 -25.288 408 HG22 VAL 51 HG22 VAL 51 -0.552 -4.182 -24.881 409 HG23 VAL 51 HG23 VAL 51 0.885 -4.048 -23.866 410 H ARG 52 H ARG 52 1.555 -5.295 -28.947 411 HA ARG 52 HA ARG 52 3.191 -7.642 -28.937 412 HB2 ARG 52 HB2 ARG 52 1.096 -7.739 -30.095 413 HB3 ARG 52 HB3 ARG 52 1.507 -6.337 -31.074 414 HG2 ARG 52 HG2 ARG 52 3.139 -7.564 -32.292 415 HG3 ARG 52 HG3 ARG 52 3.015 -8.935 -31.187 416 HD2 ARG 52 HD2 ARG 52 0.563 -9.054 -31.889 417 HD3 ARG 52 HD3 ARG 52 1.009 -7.966 -33.203 418 HE ARG 52 HE ARG 52 2.805 -10.056 -33.301 419 HH11 ARG 52 HH11 ARG 52 -0.644 -9.654 -33.543 420 HH12 ARG 52 HH12 ARG 52 -0.860 -11.012 -34.598 421 HH21 ARG 52 HH21 ARG 52 2.535 -11.845 -34.689 422 HH22 ARG 52 HH22 ARG 52 0.949 -12.258 -35.248 423 H ALA 53 H ALA 53 3.457 -4.413 -30.247 424 HA ALA 53 HA ALA 53 5.887 -5.119 -31.713 425 HB1 ALA 53 HB1 ALA 53 4.040 -3.646 -32.675 426 HB2 ALA 53 HB2 ALA 53 4.643 -2.389 -31.593 427 HB3 ALA 53 HB3 ALA 53 5.699 -3.067 -32.831 428 H ARG 54 H ARG 54 5.713 -5.056 -28.745 429 HA ARG 54 HA ARG 54 6.907 -4.333 -26.945 430 HB2 ARG 54 HB2 ARG 54 8.953 -3.563 -29.033 431 HB3 ARG 54 HB3 ARG 54 9.258 -3.867 -27.328 432 HG2 ARG 54 HG2 ARG 54 8.846 -6.176 -27.562 433 HG3 ARG 54 HG3 ARG 54 8.138 -5.961 -29.164 434 HD2 ARG 54 HD2 ARG 54 11.020 -5.439 -28.441 435 HD3 ARG 54 HD3 ARG 54 10.420 -6.883 -29.256 436 HE ARG 54 HE ARG 54 9.686 -4.506 -30.643 437 HH11 ARG 54 HH11 ARG 54 12.322 -6.709 -30.078 438 HH12 ARG 54 HH12 ARG 54 13.102 -6.369 -31.587 439 HH21 ARG 54 HH21 ARG 54 10.703 -4.049 -32.632 440 HH22 ARG 54 HH22 ARG 54 12.181 -4.855 -33.039 441 H ARG 55 H ARG 55 5.034 -2.538 -27.491 442 HA ARG 55 HA ARG 55 6.409 0.052 -27.203 443 HB2 ARG 55 HB2 ARG 55 3.883 -0.614 -28.705 444 HB3 ARG 55 HB3 ARG 55 4.258 1.026 -28.192 445 HG2 ARG 55 HG2 ARG 55 6.496 0.646 -29.431 446 HG3 ARG 55 HG3 ARG 55 5.637 -0.678 -30.219 447 HD2 ARG 55 HD2 ARG 55 4.525 2.110 -30.107 448 HD3 ARG 55 HD3 ARG 55 5.621 1.590 -31.386 449 HE ARG 55 HE ARG 55 3.544 -0.267 -31.219 450 HH11 ARG 55 HH11 ARG 55 4.030 3.074 -32.067 451 HH12 ARG 55 HH12 ARG 55 2.711 3.116 -33.190 452 HH21 ARG 55 HH21 ARG 55 1.805 -0.225 -32.694 453 HH22 ARG 55 HH22 ARG 55 1.446 1.240 -33.545 454 H VAL 56 H VAL 56 5.459 -1.937 -25.208 455 HA VAL 56 HA VAL 56 3.333 -0.410 -23.877 456 HB VAL 56 HB VAL 56 3.006 -2.862 -24.169 457 HG11 VAL 56 HG11 VAL 56 4.286 -4.408 -22.781 458 HG12 VAL 56 HG12 VAL 56 5.338 -3.553 -23.911 459 HG13 VAL 56 HG13 VAL 56 5.292 -3.076 -22.213 460 HG21 VAL 56 HG21 VAL 56 3.241 -2.045 -21.277 461 HG22 VAL 56 HG22 VAL 56 1.934 -1.540 -22.348 462 HG23 VAL 56 HG23 VAL 56 2.148 -3.247 -21.963 463 H ASP 57 H ASP 57 3.532 0.197 -21.682 464 HA ASP 57 HA ASP 57 6.170 0.005 -20.454 465 HB2 ASP 57 HB2 ASP 57 5.800 2.184 -21.906 466 HB3 ASP 57 HB3 ASP 57 4.906 2.712 -20.483 467 H GLN 58 H GLN 58 6.042 1.246 -18.228 468 HA GLN 58 HA GLN 58 3.675 0.177 -16.890 469 HB2 GLN 58 HB2 GLN 58 4.928 0.238 -14.873 470 HB3 GLN 58 HB3 GLN 58 6.015 -0.373 -16.112 471 HG2 GLN 58 HG2 GLN 58 6.986 1.882 -16.329 472 HG3 GLN 58 HG3 GLN 58 5.944 2.428 -15.016 473 HE21 GLN 58 HE21 GLN 58 8.551 0.228 -15.854 474 HE22 GLN 58 HE22 GLN 58 9.208 0.103 -14.261 475 H PHE 59 H PHE 59 2.397 1.399 -15.484 476 HA PHE 59 HA PHE 59 2.847 4.172 -15.010 477 HB2 PHE 59 HB2 PHE 59 2.154 4.331 -17.357 478 HB3 PHE 59 HB3 PHE 59 0.680 3.441 -16.990 479 HD1 PHE 59 HD2 PHE 59 2.520 6.546 -16.099 480 HD2 PHE 59 HD1 PHE 59 -1.244 4.582 -16.395 481 HE1 PHE 59 HE2 PHE 59 1.379 8.663 -15.580 482 HE2 PHE 59 HE1 PHE 59 -2.392 6.696 -15.878 483 HZ PHE 59 HZ PHE 59 -1.080 8.740 -15.469 484 H GLN 60 H GLN 60 1.423 5.032 -13.493 485 HA GLN 60 HA GLN 60 -0.383 3.059 -12.268 486 HB2 GLN 60 HB2 GLN 60 -0.030 4.153 -10.167 487 HB3 GLN 60 HB3 GLN 60 1.546 3.873 -10.896 488 HG2 GLN 60 HG2 GLN 60 1.613 6.201 -11.639 489 HG3 GLN 60 HG3 GLN 60 0.040 6.479 -10.894 490 HE21 GLN 60 HE21 GLN 60 -0.104 6.142 -8.564 491 HE22 GLN 60 HE22 GLN 60 1.270 6.505 -7.583 492 H ILE 61 H ILE 61 -2.485 3.558 -11.850 493 HA ILE 61 HA ILE 61 -3.573 5.846 -13.249 494 HB ILE 61 HB ILE 61 -4.994 3.692 -11.680 495 HG12 ILE 61 HG12 ILE 61 -4.795 3.961 -14.678 496 HG13 ILE 61 HG13 ILE 61 -3.659 2.997 -13.741 497 HG21 ILE 61 HG21 ILE 61 -6.956 4.473 -13.080 498 HG22 ILE 61 HG22 ILE 61 -6.435 5.555 -11.790 499 HG23 ILE 61 HG23 ILE 61 -5.990 5.898 -13.461 500 HD11 ILE 61 HD11 ILE 61 -5.340 1.489 -13.079 501 HD12 ILE 61 HD12 ILE 61 -6.625 2.558 -13.642 502 HD13 ILE 61 HD13 ILE 61 -5.570 1.757 -14.807 503 H ASN 62 H ASN 62 -3.380 4.665 -9.916 504 HA ASN 62 HA ASN 62 -3.377 7.285 -8.836 505 HB2 ASN 62 HB2 ASN 62 -5.842 6.869 -9.477 506 HB3 ASN 62 HB3 ASN 62 -5.861 5.741 -8.124 507 HD21 ASN 62 HD21 ASN 62 -5.294 9.088 -9.027 508 HD22 ASN 62 HD22 ASN 62 -5.673 9.762 -7.482 509 H ALA 63 H ALA 63 -3.295 7.274 -6.461 510 HA ALA 63 HA ALA 63 -1.705 5.119 -5.506 511 HB1 ALA 63 HB1 ALA 63 -1.792 7.664 -4.825 512 HB2 ALA 63 HB2 ALA 63 -2.923 7.062 -3.613 513 HB3 ALA 63 HB3 ALA 63 -1.281 6.424 -3.679 514 H SER 64 H SER 64 -5.090 5.845 -5.403 515 HA SER 64 HA SER 64 -5.701 4.095 -3.210 516 HB2 SER 64 HB2 SER 64 -7.281 5.720 -5.155 517 HB3 SER 64 HB3 SER 64 -8.098 4.408 -4.305 518 HG SER 64 HG SER 64 -7.268 5.392 -2.338 519 H ALA 65 H ALA 65 -5.721 3.877 -6.722 520 HA ALA 65 HA ALA 65 -6.975 1.309 -6.816 521 HB1 ALA 65 HB1 ALA 65 -5.833 3.206 -8.743 522 HB2 ALA 65 HB2 ALA 65 -5.709 1.508 -9.206 523 HB3 ALA 65 HB3 ALA 65 -7.286 2.212 -8.849 524 H ALA 66 H ALA 66 -5.723 -0.463 -8.137 525 HA ALA 66 HA ALA 66 -3.605 -1.359 -6.461 526 HB1 ALA 66 HB1 ALA 66 -5.333 -2.758 -7.747 527 HB2 ALA 66 HB2 ALA 66 -4.251 -2.566 -9.127 528 HB3 ALA 66 HB3 ALA 66 -3.676 -3.356 -7.659 529 H GLN 67 H GLN 67 -1.436 -1.845 -7.076 530 HA GLN 67 HA GLN 67 -0.352 0.114 -8.955 531 HB2 GLN 67 HB2 GLN 67 0.543 -0.002 -6.636 532 HB3 GLN 67 HB3 GLN 67 1.108 -1.634 -6.969 533 HG2 GLN 67 HG2 GLN 67 2.985 -0.275 -7.241 534 HG3 GLN 67 HG3 GLN 67 2.436 -0.624 -8.879 535 HE21 GLN 67 HE21 GLN 67 3.860 1.317 -9.201 536 HE22 GLN 67 HE22 GLN 67 3.100 2.867 -9.127 537 H ILE 68 H ILE 68 -0.255 -0.616 -10.984 538 HA ILE 68 HA ILE 68 0.556 -3.398 -11.458 539 HB ILE 68 HB ILE 68 -0.566 -1.454 -13.474 540 HG12 ILE 68 HG12 ILE 68 -2.182 -1.842 -11.655 541 HG13 ILE 68 HG13 ILE 68 -2.718 -2.576 -13.162 542 HG21 ILE 68 HG21 ILE 68 0.561 -4.077 -13.654 543 HG22 ILE 68 HG22 ILE 68 -1.139 -4.132 -14.115 544 HG23 ILE 68 HG23 ILE 68 -0.038 -3.032 -14.942 545 HD11 ILE 68 HD11 ILE 68 -1.277 -4.570 -11.867 546 HD12 ILE 68 HD12 ILE 68 -2.228 -3.788 -10.604 547 HD13 ILE 68 HD13 ILE 68 -3.029 -4.448 -12.029 548 H ILE 69 H ILE 69 2.311 -3.921 -12.711 549 HA ILE 69 HA ILE 69 3.973 -1.703 -13.696 550 HB ILE 69 HB ILE 69 5.022 -4.106 -12.195 551 HG12 ILE 69 HG12 ILE 69 5.834 -2.063 -10.702 552 HG13 ILE 69 HG13 ILE 69 4.410 -1.296 -11.396 553 HG21 ILE 69 HG21 ILE 69 7.186 -2.888 -12.329 554 HG22 ILE 69 HG22 ILE 69 6.576 -3.430 -13.891 555 HG23 ILE 69 HG23 ILE 69 6.421 -1.737 -13.424 556 HD11 ILE 69 HD11 ILE 69 2.971 -2.634 -10.264 557 HD12 ILE 69 HD12 ILE 69 4.087 -4.000 -10.233 558 HD13 ILE 69 HD13 ILE 69 4.322 -2.644 -9.130 559 H VAL 70 H VAL 70 5.167 -2.113 -15.540 560 HA VAL 70 HA VAL 70 4.616 -4.689 -16.866 561 HB VAL 70 HB VAL 70 4.991 -1.997 -18.187 562 HG11 VAL 70 HG11 VAL 70 3.822 -3.902 -19.914 563 HG12 VAL 70 HG12 VAL 70 5.403 -3.130 -20.051 564 HG13 VAL 70 HG13 VAL 70 5.239 -4.658 -19.185 565 HG21 VAL 70 HG21 VAL 70 2.566 -2.429 -18.861 566 HG22 VAL 70 HG22 VAL 70 2.544 -3.627 -17.568 567 HG23 VAL 70 HG23 VAL 70 2.865 -1.933 -17.195 568 H THR 71 H THR 71 6.456 -5.818 -16.557 569 HA THR 71 HA THR 71 9.006 -4.508 -17.237 570 HB THR 71 HB THR 71 9.161 -5.276 -15.004 571 HG1 THR 71 HG1 THR 71 10.680 -7.082 -15.259 572 HG21 THR 71 HG21 THR 71 7.437 -7.412 -15.965 573 HG22 THR 71 HG22 THR 71 7.660 -6.793 -14.329 574 HG23 THR 71 HG23 THR 71 8.760 -8.014 -14.967 575 H ASP 72 H ASP 72 8.742 -4.866 -19.488 576 HA ASP 72 HA ASP 72 8.141 -7.252 -20.750 577 HB2 ASP 72 HB2 ASP 72 9.496 -6.361 -22.665 578 HB3 ASP 72 HB3 ASP 72 8.307 -5.227 -22.029 Start of MODEL 20 1 H1 MET 1 H MET 1 -0.700 -0.479 -0.355 2 HA MET 1 HA MET 1 -0.434 -0.252 -3.259 3 HB2 MET 1 HB2 MET 1 1.628 0.077 -1.072 4 HB3 MET 1 HB3 MET 1 1.908 0.355 -2.786 5 HG2 MET 1 HG2 MET 1 0.717 2.308 -2.808 6 HG3 MET 1 HG3 MET 1 -0.285 1.840 -1.436 7 HE1 MET 1 HE1 MET 1 3.036 2.762 -2.761 8 HE2 MET 1 HE2 MET 1 3.752 3.838 -1.561 9 HE3 MET 1 HE3 MET 1 3.961 2.092 -1.417 10 H ASP 2 H ASP 2 -0.866 -2.404 -3.839 11 HA ASP 2 HA ASP 2 1.072 -4.406 -2.901 12 HB2 ASP 2 HB2 ASP 2 -1.536 -4.719 -2.830 13 HB3 ASP 2 HB3 ASP 2 -1.336 -5.107 -4.537 14 H ARG 3 H ARG 3 2.796 -3.804 -4.233 15 HA ARG 3 HA ARG 3 2.586 -3.424 -7.024 16 HB2 ARG 3 HB2 ARG 3 5.014 -4.300 -5.451 17 HB3 ARG 3 HB3 ARG 3 5.011 -3.570 -7.051 18 HG2 ARG 3 HG2 ARG 3 4.359 -1.475 -6.212 19 HG3 ARG 3 HG3 ARG 3 3.895 -2.157 -4.652 20 HD2 ARG 3 HD2 ARG 3 6.718 -2.401 -5.596 21 HD3 ARG 3 HD3 ARG 3 6.157 -0.876 -4.911 22 HE ARG 3 HE ARG 3 6.726 -3.291 -3.494 23 HH11 ARG 3 HH11 ARG 3 4.766 -0.414 -3.489 24 HH12 ARG 3 HH12 ARG 3 4.540 -0.413 -1.772 25 HH21 ARG 3 HH21 ARG 3 6.435 -3.301 -1.231 26 HH22 ARG 3 HH22 ARG 3 5.490 -2.055 -0.488 27 H ILE 4 H ILE 4 2.269 -4.856 -8.587 28 HA ILE 4 HA ILE 4 2.794 -7.697 -8.014 29 HB ILE 4 HB ILE 4 0.930 -6.569 -10.103 30 HG12 ILE 4 HG12 ILE 4 0.305 -7.726 -7.377 31 HG13 ILE 4 HG13 ILE 4 0.135 -6.037 -7.842 32 HG21 ILE 4 HG21 ILE 4 1.053 -9.374 -9.025 33 HG22 ILE 4 HG22 ILE 4 0.183 -8.786 -10.440 34 HG23 ILE 4 HG23 ILE 4 1.945 -8.857 -10.456 35 HD11 ILE 4 HD11 ILE 4 -1.573 -6.665 -9.471 36 HD12 ILE 4 HD12 ILE 4 -1.410 -8.352 -8.982 37 HD13 ILE 4 HD13 ILE 4 -2.010 -7.155 -7.834 38 H PHE 5 H PHE 5 4.278 -8.745 -9.171 39 HA PHE 5 HA PHE 5 5.593 -7.319 -11.355 40 HB2 PHE 5 HB2 PHE 5 6.363 -9.693 -9.670 41 HB3 PHE 5 HB3 PHE 5 7.249 -9.273 -11.132 42 HD1 PHE 5 HD1 PHE 5 6.329 -8.141 -7.753 43 HD2 PHE 5 HD2 PHE 5 8.756 -7.440 -11.178 44 HE1 PHE 5 HE1 PHE 5 7.669 -6.526 -6.469 45 HE2 PHE 5 HE2 PHE 5 10.101 -5.825 -9.900 46 HZ PHE 5 HZ PHE 5 9.558 -5.366 -7.541 47 H MET 6 H MET 6 5.653 -8.023 -13.435 48 HA MET 6 HA MET 6 4.781 -10.657 -14.182 49 HB2 MET 6 HB2 MET 6 2.988 -9.585 -15.749 50 HB3 MET 6 HB3 MET 6 2.586 -9.936 -14.073 51 HG2 MET 6 HG2 MET 6 3.702 -7.267 -14.514 52 HG3 MET 6 HG3 MET 6 2.165 -7.563 -15.323 53 HE1 MET 6 HE1 MET 6 0.215 -8.323 -14.430 54 HE2 MET 6 HE2 MET 6 0.192 -9.221 -12.913 55 HE3 MET 6 HE3 MET 6 -0.442 -7.576 -12.973 56 H THR 7 H THR 7 5.371 -11.203 -16.271 57 HA THR 7 HA THR 7 7.284 -9.402 -17.508 58 HB THR 7 HB THR 7 7.999 -11.248 -18.832 59 HG1 THR 7 HG1 THR 7 6.771 -13.248 -18.764 60 HG21 THR 7 HG21 THR 7 8.930 -12.454 -17.167 61 HG22 THR 7 HG22 THR 7 7.371 -12.855 -16.447 62 HG23 THR 7 HG23 THR 7 8.118 -11.291 -16.120 63 H ARG 8 H ARG 8 7.247 -9.767 -20.097 64 HA ARG 8 HA ARG 8 5.275 -8.136 -21.106 65 HB2 ARG 8 HB2 ARG 8 7.001 -10.218 -22.427 66 HB3 ARG 8 HB3 ARG 8 5.862 -9.248 -23.352 67 HG2 ARG 8 HG2 ARG 8 7.718 -7.794 -21.568 68 HG3 ARG 8 HG3 ARG 8 8.406 -8.554 -23.004 69 HD2 ARG 8 HD2 ARG 8 5.944 -6.865 -23.213 70 HD3 ARG 8 HD3 ARG 8 7.537 -6.112 -23.141 71 HE ARG 8 HE ARG 8 7.843 -7.928 -25.101 72 HH11 ARG 8 HH11 ARG 8 5.420 -5.500 -24.504 73 HH12 ARG 8 HH12 ARG 8 5.077 -5.244 -26.182 74 HH21 ARG 8 HH21 ARG 8 7.400 -7.599 -27.314 75 HH22 ARG 8 HH22 ARG 8 6.203 -6.438 -27.780 76 H THR 9 H THR 9 5.368 -11.691 -21.172 77 HA THR 9 HA THR 9 2.876 -12.011 -22.471 78 HB THR 9 HB THR 9 4.079 -14.038 -20.594 79 HG1 THR 9 HG1 THR 9 5.758 -14.076 -21.869 80 HG21 THR 9 HG21 THR 9 1.786 -14.279 -21.803 81 HG22 THR 9 HG22 THR 9 2.920 -15.630 -21.824 82 HG23 THR 9 HG23 THR 9 2.772 -14.580 -23.233 83 H GLU 10 H GLU 10 3.800 -12.230 -19.039 84 HA GLU 10 HA GLU 10 1.241 -12.796 -18.041 85 HB2 GLU 10 HB2 GLU 10 3.466 -11.298 -16.647 86 HB3 GLU 10 HB3 GLU 10 2.112 -12.109 -15.873 87 HG2 GLU 10 HG2 GLU 10 4.328 -13.413 -17.436 88 HG3 GLU 10 HG3 GLU 10 4.102 -13.453 -15.688 89 H ALA 11 H ALA 11 2.562 -9.911 -19.306 90 HA ALA 11 HA ALA 11 1.311 -7.878 -17.955 91 HB1 ALA 11 HB1 ALA 11 2.886 -7.688 -19.914 92 HB2 ALA 11 HB2 ALA 11 1.490 -7.963 -20.957 93 HB3 ALA 11 HB3 ALA 11 1.538 -6.550 -19.902 94 H LEU 12 H LEU 12 -0.105 -10.215 -20.129 95 HA LEU 12 HA LEU 12 -2.478 -9.023 -20.843 96 HB2 LEU 12 HB2 LEU 12 -2.114 -11.895 -20.003 97 HB3 LEU 12 HB3 LEU 12 -3.424 -11.259 -20.996 98 HG LEU 12 HG LEU 12 -0.613 -10.946 -21.944 99 HD11 LEU 12 HD11 LEU 12 -2.225 -13.482 -22.184 100 HD12 LEU 12 HD12 LEU 12 -0.736 -13.281 -21.262 101 HD13 LEU 12 HD13 LEU 12 -0.711 -13.136 -23.019 102 HD21 LEU 12 HD21 LEU 12 -2.219 -9.869 -23.285 103 HD22 LEU 12 HD22 LEU 12 -3.331 -11.235 -23.194 104 HD23 LEU 12 HD23 LEU 12 -1.841 -11.371 -24.128 105 H GLU 13 H GLU 13 -1.789 -10.826 -17.856 106 HA GLU 13 HA GLU 13 -4.299 -10.708 -16.690 107 HB2 GLU 13 HB2 GLU 13 -1.538 -10.721 -15.489 108 HB3 GLU 13 HB3 GLU 13 -2.983 -10.735 -14.488 109 HG2 GLU 13 HG2 GLU 13 -2.636 -12.766 -16.649 110 HG3 GLU 13 HG3 GLU 13 -1.820 -12.963 -15.099 111 H PHE 14 H PHE 14 -1.733 -8.292 -16.737 112 HA PHE 14 HA PHE 14 -2.963 -6.501 -14.911 113 HB2 PHE 14 HB2 PHE 14 -0.618 -6.270 -15.272 114 HB3 PHE 14 HB3 PHE 14 -0.831 -6.129 -17.014 115 HD1 PHE 14 HD2 PHE 14 -2.662 -4.405 -14.280 116 HD2 PHE 14 HD1 PHE 14 0.050 -4.050 -17.541 117 HE1 PHE 14 HE2 PHE 14 -2.733 -1.954 -14.068 118 HE2 PHE 14 HE1 PHE 14 -0.016 -1.599 -17.334 119 HZ PHE 14 HZ PHE 14 -1.410 -0.548 -15.597 120 H LEU 15 H LEU 15 -2.806 -6.567 -18.464 121 HA LEU 15 HA LEU 15 -4.249 -4.272 -19.009 122 HB2 LEU 15 HB2 LEU 15 -3.825 -6.844 -20.447 123 HB3 LEU 15 HB3 LEU 15 -5.023 -5.713 -21.073 124 HG LEU 15 HG LEU 15 -2.122 -5.028 -20.616 125 HD11 LEU 15 HD11 LEU 15 -1.640 -6.092 -22.497 126 HD12 LEU 15 HD12 LEU 15 -2.774 -5.052 -23.358 127 HD13 LEU 15 HD13 LEU 15 -3.323 -6.586 -22.683 128 HD21 LEU 15 HD21 LEU 15 -2.586 -2.953 -21.353 129 HD22 LEU 15 HD22 LEU 15 -4.218 -3.334 -20.801 130 HD23 LEU 15 HD23 LEU 15 -3.797 -3.517 -22.505 131 H LEU 16 H LEU 16 -5.442 -7.549 -18.386 132 HA LEU 16 HA LEU 16 -8.198 -6.770 -18.695 133 HB2 LEU 16 HB2 LEU 16 -6.715 -9.257 -18.108 134 HB3 LEU 16 HB3 LEU 16 -8.357 -9.157 -17.476 135 HG LEU 16 HG LEU 16 -7.645 -8.777 -20.381 136 HD11 LEU 16 HD11 LEU 16 -7.896 -10.986 -20.782 137 HD12 LEU 16 HD12 LEU 16 -9.051 -11.208 -19.469 138 HD13 LEU 16 HD13 LEU 16 -7.325 -11.116 -19.118 139 HD21 LEU 16 HD21 LEU 16 -9.710 -7.911 -20.387 140 HD22 LEU 16 HD22 LEU 16 -10.091 -8.556 -18.791 141 HD23 LEU 16 HD23 LEU 16 -10.248 -9.582 -20.217 142 H LYS 17 H LYS 17 -5.897 -6.987 -16.116 143 HA LYS 17 HA LYS 17 -7.658 -7.172 -13.928 144 HB2 LYS 17 HB2 LYS 17 -5.337 -7.588 -13.563 145 HB3 LYS 17 HB3 LYS 17 -4.886 -6.013 -14.202 146 HG2 LYS 17 HG2 LYS 17 -5.909 -4.920 -12.290 147 HG3 LYS 17 HG3 LYS 17 -6.428 -6.484 -11.658 148 HD2 LYS 17 HD2 LYS 17 -3.812 -6.978 -11.941 149 HD3 LYS 17 HD3 LYS 17 -3.744 -5.233 -11.681 150 HE2 LYS 17 HE2 LYS 17 -4.945 -7.322 -9.872 151 HE3 LYS 17 HE3 LYS 17 -3.542 -6.303 -9.554 152 HZ1 LYS 17 HZ1 LYS 17 -5.179 -4.379 -9.816 153 HZ2 LYS 17 HZ2 LYS 17 -5.256 -5.287 -8.392 154 HZ3 LYS 17 HZ3 LYS 17 -6.393 -5.541 -9.618 155 H ALA 18 H ALA 18 -6.112 -4.315 -15.396 156 HA ALA 18 HA ALA 18 -7.253 -2.359 -13.804 157 HB1 ALA 18 HB1 ALA 18 -6.945 -1.781 -16.701 158 HB2 ALA 18 HB2 ALA 18 -6.432 -0.844 -15.297 159 HB3 ALA 18 HB3 ALA 18 -5.512 -2.264 -15.793 160 H HIS 19 H HIS 19 -8.640 -4.155 -16.462 161 HA HIS 19 HA HIS 19 -10.802 -2.584 -17.153 162 HB2 HIS 19 HB2 HIS 19 -10.106 -4.766 -18.212 163 HB3 HIS 19 HB3 HIS 19 -10.906 -5.592 -16.878 164 HD1 HIS 19 HD1 HIS 19 -12.070 -2.710 -19.084 165 HD2 HIS 19 HD2 HIS 19 -13.239 -6.509 -17.875 166 HE1 HIS 19 HE1 HIS 19 -14.326 -3.084 -20.130 167 H GLN 20 H GLN 20 -10.410 -4.718 -14.380 168 HA GLN 20 HA GLN 20 -13.088 -4.631 -13.488 169 HB2 GLN 20 HB2 GLN 20 -11.167 -6.212 -12.782 170 HB3 GLN 20 HB3 GLN 20 -10.733 -4.942 -11.646 171 HG2 GLN 20 HG2 GLN 20 -12.828 -5.121 -10.528 172 HG3 GLN 20 HG3 GLN 20 -13.459 -6.202 -11.769 173 HE21 GLN 20 HE21 GLN 20 -13.614 -8.193 -11.057 174 HE22 GLN 20 HE22 GLN 20 -12.499 -8.996 -10.010 175 H THR 21 H THR 21 -10.316 -2.546 -12.953 176 HA THR 21 HA THR 21 -11.573 -0.992 -10.895 177 HB THR 21 HB THR 21 -9.206 -0.158 -12.572 178 HG1 THR 21 HG1 THR 21 -8.406 -1.968 -11.741 179 HG21 THR 21 HG21 THR 21 -9.415 0.463 -9.691 180 HG22 THR 21 HG22 THR 21 -10.562 1.288 -10.748 181 HG23 THR 21 HG23 THR 21 -8.828 1.455 -11.025 182 H ALA 22 H ALA 22 -10.983 -0.583 -14.365 183 HA ALA 22 HA ALA 22 -11.955 2.030 -14.622 184 HB1 ALA 22 HB1 ALA 22 -12.200 -0.098 -16.735 185 HB2 ALA 22 HB2 ALA 22 -12.022 1.644 -16.955 186 HB3 ALA 22 HB3 ALA 22 -10.673 0.690 -16.337 187 H VAL 23 H VAL 23 -13.642 -1.055 -15.230 188 HA VAL 23 HA VAL 23 -16.157 0.057 -15.769 189 HB VAL 23 HB VAL 23 -15.530 -2.657 -14.596 190 HG11 VAL 23 HG11 VAL 23 -17.806 -2.412 -14.243 191 HG12 VAL 23 HG12 VAL 23 -18.032 -1.441 -15.699 192 HG13 VAL 23 HG13 VAL 23 -17.749 -3.178 -15.830 193 HG21 VAL 23 HG21 VAL 23 -16.264 -2.749 -17.339 194 HG22 VAL 23 HG22 VAL 23 -14.982 -1.553 -17.153 195 HG23 VAL 23 HG23 VAL 23 -14.732 -3.206 -16.595 196 H ASP 24 H ASP 24 -14.561 -0.719 -12.757 197 HA ASP 24 HA ASP 24 -16.889 -0.516 -11.117 198 HB2 ASP 24 HB2 ASP 24 -14.836 -1.762 -10.456 199 HB3 ASP 24 HB3 ASP 24 -13.988 -0.224 -10.313 200 H LYS 25 H LYS 25 -14.499 1.729 -12.315 201 HA LYS 25 HA LYS 25 -14.849 3.862 -10.572 202 HB2 LYS 25 HB2 LYS 25 -13.206 3.572 -12.550 203 HB3 LYS 25 HB3 LYS 25 -14.492 4.265 -13.530 204 HG2 LYS 25 HG2 LYS 25 -14.484 6.187 -11.836 205 HG3 LYS 25 HG3 LYS 25 -12.928 5.536 -11.314 206 HD2 LYS 25 HD2 LYS 25 -13.363 5.978 -14.223 207 HD3 LYS 25 HD3 LYS 25 -13.101 7.389 -13.196 208 HE2 LYS 25 HE2 LYS 25 -10.971 6.662 -12.551 209 HE3 LYS 25 HE3 LYS 25 -11.276 5.010 -13.085 210 HZ1 LYS 25 HZ1 LYS 25 -10.065 5.699 -14.839 211 HZ2 LYS 25 HZ2 LYS 25 -10.443 7.334 -14.623 212 HZ3 LYS 25 HZ3 LYS 25 -11.551 6.303 -15.379 213 H ILE 26 H ILE 26 -16.530 3.289 -13.665 214 HA ILE 26 HA ILE 26 -18.343 5.448 -13.327 215 HB ILE 26 HB ILE 26 -19.638 4.338 -15.164 216 HG12 ILE 26 HG12 ILE 26 -17.369 2.438 -15.541 217 HG13 ILE 26 HG13 ILE 26 -18.605 2.024 -14.357 218 HG21 ILE 26 HG21 ILE 26 -17.941 4.737 -16.877 219 HG22 ILE 26 HG22 ILE 26 -17.900 5.982 -15.630 220 HG23 ILE 26 HG23 ILE 26 -16.684 4.705 -15.642 221 HD11 ILE 26 HD11 ILE 26 -18.721 2.044 -17.284 222 HD12 ILE 26 HD12 ILE 26 -19.608 1.068 -16.112 223 HD13 ILE 26 HD13 ILE 26 -20.138 2.711 -16.473 224 H GLY 27 H GLY 27 -18.269 2.206 -12.158 225 HA2 GLY 27 HA2 GLY 27 -19.664 1.095 -10.708 226 HA3 GLY 27 HA3 GLY 27 -20.496 2.622 -10.454 227 H HIS 28 H HIS 28 -20.155 1.117 -13.599 228 HA HIS 28 HA HIS 28 -22.992 0.346 -13.518 229 HB2 HIS 28 HB2 HIS 28 -21.691 2.318 -15.244 230 HB3 HIS 28 HB3 HIS 28 -22.588 1.098 -16.143 231 HD1 HIS 28 HD1 HIS 28 -23.354 3.087 -12.979 232 HD2 HIS 28 HD2 HIS 28 -25.059 2.051 -16.623 233 HE1 HIS 28 HE1 HIS 28 -25.639 4.137 -12.975 234 HA PRO 29 HA PRO 29 -21.774 -3.469 -15.309 235 HB2 PRO 29 HB2 PRO 29 -23.901 -4.039 -16.897 236 HB3 PRO 29 HB3 PRO 29 -23.968 -4.127 -15.133 237 HG2 PRO 29 HG2 PRO 29 -24.906 -1.947 -16.958 238 HG3 PRO 29 HG3 PRO 29 -25.705 -2.633 -15.531 239 HD2 PRO 29 HD2 PRO 29 -24.354 -0.287 -15.458 240 HD3 PRO 29 HD3 PRO 29 -24.436 -1.386 -14.066 241 H SER 30 H SER 30 -20.290 -3.835 -16.821 242 HA SER 30 HA SER 30 -20.641 -2.593 -19.472 243 HB2 SER 30 HB2 SER 30 -18.706 -1.797 -17.885 244 HB3 SER 30 HB3 SER 30 -17.924 -3.287 -18.411 245 HG SER 30 HG SER 30 -18.803 -1.126 -20.020 246 H HIS 31 H HIS 31 -21.045 -5.387 -18.053 247 HA HIS 31 HA HIS 31 -19.861 -6.937 -20.262 248 HB2 HIS 31 HB2 HIS 31 -19.988 -7.507 -17.335 249 HB3 HIS 31 HB3 HIS 31 -20.107 -8.862 -18.454 250 HD1 HIS 31 HD1 HIS 31 -17.697 -6.647 -16.840 251 HD2 HIS 31 HD2 HIS 31 -17.775 -9.112 -20.184 252 HE1 HIS 31 HE1 HIS 31 -15.289 -6.992 -17.478 253 H LYS 32 H LYS 32 -21.397 -7.579 -21.610 254 HA LYS 32 HA LYS 32 -23.781 -8.871 -20.572 255 HB2 LYS 32 HB2 LYS 32 -24.308 -6.410 -20.809 256 HB3 LYS 32 HB3 LYS 32 -24.055 -6.596 -22.540 257 HG2 LYS 32 HG2 LYS 32 -25.867 -8.223 -22.639 258 HG3 LYS 32 HG3 LYS 32 -26.114 -8.060 -20.899 259 HD2 LYS 32 HD2 LYS 32 -27.019 -5.949 -21.091 260 HD3 LYS 32 HD3 LYS 32 -26.195 -5.620 -22.617 261 HE2 LYS 32 HE2 LYS 32 -27.676 -7.307 -23.699 262 HE3 LYS 32 HE3 LYS 32 -28.557 -7.443 -22.178 263 HZ1 LYS 32 HZ1 LYS 32 -28.666 -5.381 -24.187 264 HZ2 LYS 32 HZ2 LYS 32 -28.546 -4.784 -22.609 265 HZ3 LYS 32 HZ3 LYS 32 -29.815 -5.822 -23.026 266 H GLN 33 H GLN 33 -24.443 -10.510 -21.847 267 HA GLN 33 HA GLN 33 -22.825 -11.216 -24.107 268 HB2 GLN 33 HB2 GLN 33 -25.261 -12.507 -22.875 269 HB3 GLN 33 HB3 GLN 33 -24.380 -13.190 -24.235 270 HG2 GLN 33 HG2 GLN 33 -23.408 -12.776 -21.426 271 HG3 GLN 33 HG3 GLN 33 -23.620 -14.296 -22.293 272 HE21 GLN 33 HE21 GLN 33 -22.278 -14.495 -24.306 273 HE22 GLN 33 HE22 GLN 33 -20.651 -13.922 -24.223 274 H THR 34 H THR 34 -23.104 -10.114 -25.944 275 HA THR 34 HA THR 34 -25.625 -10.296 -27.319 276 HB THR 34 HB THR 34 -25.391 -7.668 -27.755 277 HG1 THR 34 HG1 THR 34 -24.853 -6.631 -25.795 278 HG21 THR 34 HG21 THR 34 -26.775 -8.408 -25.221 279 HG22 THR 34 HG22 THR 34 -27.284 -9.189 -26.718 280 HG23 THR 34 HG23 THR 34 -27.346 -7.432 -26.573 281 HA PRO 35 HA PRO 35 -23.056 -10.234 -30.876 282 HB2 PRO 35 HB2 PRO 35 -24.651 -9.035 -32.717 283 HB3 PRO 35 HB3 PRO 35 -24.936 -10.674 -32.121 284 HG2 PRO 35 HG2 PRO 35 -26.240 -8.107 -31.302 285 HG3 PRO 35 HG3 PRO 35 -26.978 -9.692 -31.598 286 HD2 PRO 35 HD2 PRO 35 -26.451 -8.773 -29.106 287 HD3 PRO 35 HD3 PRO 35 -26.382 -10.498 -29.523 288 H ALA 36 H ALA 36 -24.339 -7.226 -29.693 289 HA ALA 36 HA ALA 36 -22.959 -5.467 -31.427 290 HB1 ALA 36 HB1 ALA 36 -23.694 -4.779 -28.602 291 HB2 ALA 36 HB2 ALA 36 -23.665 -3.738 -30.026 292 HB3 ALA 36 HB3 ALA 36 -24.922 -4.964 -29.855 293 H ASP 37 H ASP 37 -22.012 -7.243 -28.599 294 HA ASP 37 HA ASP 37 -19.822 -5.754 -27.734 295 HB2 ASP 37 HB2 ASP 37 -20.706 -7.641 -26.461 296 HB3 ASP 37 HB3 ASP 37 -20.193 -8.757 -27.724 297 H HIS 38 H HIS 38 -20.209 -7.788 -30.517 298 HA HIS 38 HA HIS 38 -17.576 -8.436 -31.116 299 HB2 HIS 38 HB2 HIS 38 -19.675 -9.205 -32.316 300 HB3 HIS 38 HB3 HIS 38 -19.644 -7.670 -33.178 301 HD1 HIS 38 HD1 HIS 38 -17.897 -7.386 -35.028 302 HD2 HIS 38 HD2 HIS 38 -17.648 -11.029 -33.045 303 HE1 HIS 38 HE1 HIS 38 -16.345 -8.800 -36.412 304 H ALA 39 H ALA 39 -19.224 -5.395 -31.327 305 HA ALA 39 HA ALA 39 -17.328 -4.148 -33.085 306 HB1 ALA 39 HB1 ALA 39 -18.677 -2.318 -33.022 307 HB2 ALA 39 HB2 ALA 39 -19.841 -3.535 -32.497 308 HB3 ALA 39 HB3 ALA 39 -19.043 -2.506 -31.307 309 H ALA 40 H ALA 40 -17.731 -4.482 -29.624 310 HA ALA 40 HA ALA 40 -16.108 -2.472 -28.656 311 HB1 ALA 40 HB1 ALA 40 -16.551 -3.456 -26.717 312 HB2 ALA 40 HB2 ALA 40 -17.337 -4.758 -27.612 313 HB3 ALA 40 HB3 ALA 40 -15.633 -4.890 -27.177 314 H ILE 41 H ILE 41 -15.207 -5.484 -30.192 315 HA ILE 41 HA ILE 41 -12.553 -5.716 -29.452 316 HB ILE 41 HB ILE 41 -13.725 -6.297 -32.174 317 HG12 ILE 41 HG12 ILE 41 -13.278 -8.222 -29.893 318 HG13 ILE 41 HG13 ILE 41 -14.810 -7.393 -30.149 319 HG21 ILE 41 HG21 ILE 41 -11.808 -8.071 -32.036 320 HG22 ILE 41 HG22 ILE 41 -11.462 -6.422 -32.556 321 HG23 ILE 41 HG23 ILE 41 -11.101 -6.919 -30.903 322 HD11 ILE 41 HD11 ILE 41 -13.463 -9.338 -32.004 323 HD12 ILE 41 HD12 ILE 41 -14.954 -9.577 -31.093 324 HD13 ILE 41 HD13 ILE 41 -14.905 -8.408 -32.412 325 H GLU 42 H GLU 42 -14.049 -3.449 -31.627 326 HA GLU 42 HA GLU 42 -11.914 -2.609 -33.166 327 HB2 GLU 42 HB2 GLU 42 -13.100 -0.577 -33.524 328 HB3 GLU 42 HB3 GLU 42 -14.308 -1.841 -33.334 329 HG2 GLU 42 HG2 GLU 42 -14.409 -1.123 -30.884 330 HG3 GLU 42 HG3 GLU 42 -13.541 0.319 -31.407 331 H ALA 43 H ALA 43 -12.640 -1.915 -29.814 332 HA ALA 43 HA ALA 43 -10.598 0.111 -29.577 333 HB1 ALA 43 HB1 ALA 43 -12.784 -0.862 -27.971 334 HB2 ALA 43 HB2 ALA 43 -11.310 -0.720 -27.012 335 HB3 ALA 43 HB3 ALA 43 -11.929 0.679 -27.891 336 H LEU 44 H LEU 44 -10.888 -3.321 -29.056 337 HA LEU 44 HA LEU 44 -8.658 -3.697 -27.377 338 HB2 LEU 44 HB2 LEU 44 -10.233 -5.434 -29.219 339 HB3 LEU 44 HB3 LEU 44 -8.709 -6.036 -28.571 340 HG LEU 44 HG LEU 44 -9.705 -5.471 -26.266 341 HD11 LEU 44 HD11 LEU 44 -11.828 -4.619 -27.944 342 HD12 LEU 44 HD12 LEU 44 -11.738 -4.600 -26.183 343 HD13 LEU 44 HD13 LEU 44 -12.383 -6.014 -27.018 344 HD21 LEU 44 HD21 LEU 44 -11.000 -7.697 -27.828 345 HD22 LEU 44 HD22 LEU 44 -10.675 -7.643 -26.095 346 HD23 LEU 44 HD23 LEU 44 -9.337 -7.746 -27.242 347 H ASP 45 H ASP 45 -8.968 -3.255 -30.819 348 HA ASP 45 HA ASP 45 -6.505 -4.269 -31.670 349 HB2 ASP 45 HB2 ASP 45 -8.500 -3.416 -33.066 350 HB3 ASP 45 HB3 ASP 45 -7.769 -1.823 -32.885 351 H ARG 46 H ARG 46 -7.294 -1.379 -29.945 352 HA ARG 46 HA ARG 46 -4.927 0.081 -30.570 353 HB2 ARG 46 HB2 ARG 46 -7.127 1.006 -29.659 354 HB3 ARG 46 HB3 ARG 46 -6.601 0.420 -28.087 355 HG2 ARG 46 HG2 ARG 46 -5.950 2.637 -28.064 356 HG3 ARG 46 HG3 ARG 46 -4.470 1.798 -28.535 357 HD2 ARG 46 HD2 ARG 46 -4.660 3.653 -29.985 358 HD3 ARG 46 HD3 ARG 46 -5.134 2.242 -30.932 359 HE ARG 46 HE ARG 46 -7.438 3.347 -29.805 360 HH11 ARG 46 HH11 ARG 46 -4.994 4.158 -32.148 361 HH12 ARG 46 HH12 ARG 46 -6.046 5.160 -33.092 362 HH21 ARG 46 HH21 ARG 46 -8.833 4.663 -31.040 363 HH22 ARG 46 HH22 ARG 46 -8.229 5.447 -32.460 364 H LEU 47 H LEU 47 -5.937 -1.487 -27.524 365 HA LEU 47 HA LEU 47 -3.443 -1.319 -26.269 366 HB2 LEU 47 HB2 LEU 47 -4.312 -2.716 -24.615 367 HB3 LEU 47 HB3 LEU 47 -5.711 -1.855 -25.253 368 HG LEU 47 HG LEU 47 -5.877 -4.048 -26.756 369 HD11 LEU 47 HD11 LEU 47 -4.863 -5.891 -25.987 370 HD12 LEU 47 HD12 LEU 47 -5.121 -5.451 -24.299 371 HD13 LEU 47 HD13 LEU 47 -3.767 -4.759 -25.193 372 HD21 LEU 47 HD21 LEU 47 -7.609 -4.770 -25.338 373 HD22 LEU 47 HD22 LEU 47 -7.517 -3.024 -25.107 374 HD23 LEU 47 HD23 LEU 47 -6.822 -4.111 -23.904 375 H LEU 48 H LEU 48 -4.791 -3.737 -28.429 376 HA LEU 48 HA LEU 48 -2.776 -5.695 -28.026 377 HB2 LEU 48 HB2 LEU 48 -4.678 -5.221 -30.313 378 HB3 LEU 48 HB3 LEU 48 -3.615 -6.622 -30.192 379 HG LEU 48 HG LEU 48 -5.649 -5.986 -28.072 380 HD11 LEU 48 HD11 LEU 48 -6.042 -7.681 -30.534 381 HD12 LEU 48 HD12 LEU 48 -6.842 -6.149 -30.189 382 HD13 LEU 48 HD13 LEU 48 -7.159 -7.557 -29.175 383 HD21 LEU 48 HD21 LEU 48 -3.652 -7.652 -27.852 384 HD22 LEU 48 HD22 LEU 48 -4.663 -8.695 -28.853 385 HD23 LEU 48 HD23 LEU 48 -5.259 -8.119 -27.295 386 H LEU 49 H LEU 49 -3.281 -3.267 -30.580 387 HA LEU 49 HA LEU 49 -1.005 -3.844 -32.090 388 HB2 LEU 49 HB2 LEU 49 -2.844 -2.410 -32.850 389 HB3 LEU 49 HB3 LEU 49 -2.356 -1.178 -31.689 390 HG LEU 49 HG LEU 49 -0.373 -2.074 -33.723 391 HD11 LEU 49 HD11 LEU 49 -2.860 -0.520 -34.276 392 HD12 LEU 49 HD12 LEU 49 -2.048 -1.734 -35.263 393 HD13 LEU 49 HD13 LEU 49 -1.368 -0.113 -35.124 394 HD21 LEU 49 HD21 LEU 49 0.558 -0.526 -32.298 395 HD22 LEU 49 HD22 LEU 49 -0.955 0.357 -32.092 396 HD23 LEU 49 HD23 LEU 49 -0.038 0.514 -33.591 397 H ASP 50 H ASP 50 -1.443 -1.667 -29.337 398 HA ASP 50 HA ASP 50 1.153 -0.550 -29.394 399 HB2 ASP 50 HB2 ASP 50 -1.058 -0.695 -27.395 400 HB3 ASP 50 HB3 ASP 50 0.543 -0.228 -26.829 401 H VAL 51 H VAL 51 -0.210 -3.031 -27.218 402 HA VAL 51 HA VAL 51 2.190 -3.721 -25.967 403 HB VAL 51 HB VAL 51 -0.215 -5.480 -26.471 404 HG11 VAL 51 HG11 VAL 51 0.686 -6.549 -24.295 405 HG12 VAL 51 HG12 VAL 51 1.448 -6.967 -25.831 406 HG13 VAL 51 HG13 VAL 51 2.215 -5.800 -24.753 407 HG21 VAL 51 HG21 VAL 51 -0.082 -3.146 -25.017 408 HG22 VAL 51 HG22 VAL 51 -1.279 -4.426 -24.812 409 HG23 VAL 51 HG23 VAL 51 0.162 -4.396 -23.796 410 H ARG 52 H ARG 52 0.944 -4.559 -29.084 411 HA ARG 52 HA ARG 52 2.746 -6.799 -29.442 412 HB2 ARG 52 HB2 ARG 52 0.615 -6.995 -30.509 413 HB3 ARG 52 HB3 ARG 52 0.785 -5.421 -31.275 414 HG2 ARG 52 HG2 ARG 52 2.561 -6.262 -32.686 415 HG3 ARG 52 HG3 ARG 52 2.493 -7.827 -31.874 416 HD2 ARG 52 HD2 ARG 52 0.125 -6.622 -33.282 417 HD3 ARG 52 HD3 ARG 52 1.299 -7.648 -34.106 418 HE ARG 52 HE ARG 52 0.373 -8.952 -31.789 419 HH11 ARG 52 HH11 ARG 52 -0.696 -7.998 -34.962 420 HH12 ARG 52 HH12 ARG 52 -1.846 -9.286 -35.105 421 HH21 ARG 52 HH21 ARG 52 -1.138 -10.652 -31.965 422 HH22 ARG 52 HH22 ARG 52 -2.097 -10.794 -33.399 423 H ALA 53 H ALA 53 2.604 -3.404 -30.213 424 HA ALA 53 HA ALA 53 4.963 -3.597 -31.929 425 HB1 ALA 53 HB1 ALA 53 4.549 -1.297 -32.509 426 HB2 ALA 53 HB2 ALA 53 3.043 -2.206 -32.644 427 HB3 ALA 53 HB3 ALA 53 3.321 -1.162 -31.250 428 H ARG 54 H ARG 54 5.142 -4.132 -29.066 429 HA ARG 54 HA ARG 54 6.407 -3.614 -27.243 430 HB2 ARG 54 HB2 ARG 54 8.012 -2.502 -29.526 431 HB3 ARG 54 HB3 ARG 54 8.580 -2.343 -27.869 432 HG2 ARG 54 HG2 ARG 54 9.621 -4.278 -28.431 433 HG3 ARG 54 HG3 ARG 54 8.097 -4.943 -27.840 434 HD2 ARG 54 HD2 ARG 54 8.389 -6.047 -29.857 435 HD3 ARG 54 HD3 ARG 54 7.318 -4.716 -30.293 436 HE ARG 54 HE ARG 54 9.872 -3.786 -30.717 437 HH11 ARG 54 HH11 ARG 54 7.919 -6.420 -31.885 438 HH12 ARG 54 HH12 ARG 54 8.687 -6.474 -33.437 439 HH21 ARG 54 HH21 ARG 54 10.891 -3.846 -32.757 440 HH22 ARG 54 HH22 ARG 54 10.378 -5.009 -33.932 441 H ARG 55 H ARG 55 4.283 -2.038 -27.228 442 HA ARG 55 HA ARG 55 5.323 0.655 -26.635 443 HB2 ARG 55 HB2 ARG 55 2.497 -0.083 -27.413 444 HB3 ARG 55 HB3 ARG 55 3.117 1.540 -27.141 445 HG2 ARG 55 HG2 ARG 55 4.239 -0.256 -29.266 446 HG3 ARG 55 HG3 ARG 55 2.841 0.784 -29.549 447 HD2 ARG 55 HD2 ARG 55 5.342 1.931 -28.384 448 HD3 ARG 55 HD3 ARG 55 5.241 1.632 -30.118 449 HE ARG 55 HE ARG 55 3.934 3.713 -28.648 450 HH11 ARG 55 HH11 ARG 55 3.752 1.693 -31.477 451 HH12 ARG 55 HH12 ARG 55 2.772 2.809 -32.371 452 HH21 ARG 55 HH21 ARG 55 2.644 5.190 -29.813 453 HH22 ARG 55 HH22 ARG 55 2.144 4.798 -31.423 454 H VAL 56 H VAL 56 5.162 -1.757 -24.905 455 HA VAL 56 HA VAL 56 3.100 -1.078 -22.970 456 HB VAL 56 HB VAL 56 3.955 -3.026 -21.701 457 HG11 VAL 56 HG11 VAL 56 2.631 -4.367 -22.903 458 HG12 VAL 56 HG12 VAL 56 2.463 -3.004 -24.010 459 HG13 VAL 56 HG13 VAL 56 3.665 -4.255 -24.327 460 HG21 VAL 56 HG21 VAL 56 5.811 -3.415 -24.046 461 HG22 VAL 56 HG22 VAL 56 6.306 -2.842 -22.453 462 HG23 VAL 56 HG23 VAL 56 5.649 -4.468 -22.640 463 H ASP 57 H ASP 57 3.587 -0.675 -20.732 464 HA ASP 57 HA ASP 57 6.207 -0.120 -19.812 465 HB2 ASP 57 HB2 ASP 57 5.873 2.373 -19.540 466 HB3 ASP 57 HB3 ASP 57 6.167 1.825 -21.188 467 H GLN 58 H GLN 58 6.059 1.251 -17.696 468 HA GLN 58 HA GLN 58 3.866 0.098 -16.151 469 HB2 GLN 58 HB2 GLN 58 5.219 0.752 -14.181 470 HB3 GLN 58 HB3 GLN 58 6.087 -0.305 -15.286 471 HG2 GLN 58 HG2 GLN 58 6.418 2.620 -15.630 472 HG3 GLN 58 HG3 GLN 58 7.188 1.858 -14.240 473 HE21 GLN 58 HE21 GLN 58 8.701 0.156 -14.629 474 HE22 GLN 58 HE22 GLN 58 9.574 0.092 -16.118 475 H PHE 59 H PHE 59 2.418 1.284 -14.967 476 HA PHE 59 HA PHE 59 2.614 4.061 -14.492 477 HB2 PHE 59 HB2 PHE 59 2.086 3.755 -17.071 478 HB3 PHE 59 HB3 PHE 59 0.444 3.536 -16.474 479 HD1 PHE 59 HD2 PHE 59 3.266 5.829 -15.623 480 HD2 PHE 59 HD1 PHE 59 -0.825 5.421 -16.723 481 HE1 PHE 59 HE2 PHE 59 2.992 8.271 -15.496 482 HE2 PHE 59 HE1 PHE 59 -1.106 7.862 -16.598 483 HZ PHE 59 HZ PHE 59 0.804 9.291 -15.983 484 H GLN 60 H GLN 60 0.446 4.967 -13.741 485 HA GLN 60 HA GLN 60 -1.552 3.063 -12.940 486 HB2 GLN 60 HB2 GLN 60 0.557 3.114 -11.269 487 HB3 GLN 60 HB3 GLN 60 -0.375 4.444 -10.596 488 HG2 GLN 60 HG2 GLN 60 -0.841 2.309 -9.489 489 HG3 GLN 60 HG3 GLN 60 -2.272 3.001 -10.253 490 HE21 GLN 60 HE21 GLN 60 -3.477 1.345 -10.867 491 HE22 GLN 60 HE22 GLN 60 -2.934 -0.011 -11.788 492 H ILE 61 H ILE 61 -3.472 4.029 -12.404 493 HA ILE 61 HA ILE 61 -3.651 6.871 -12.950 494 HB ILE 61 HB ILE 61 -6.080 6.542 -12.871 495 HG12 ILE 61 HG12 ILE 61 -5.400 3.665 -12.224 496 HG13 ILE 61 HG13 ILE 61 -6.132 4.818 -11.113 497 HG21 ILE 61 HG21 ILE 61 -4.388 5.731 -14.810 498 HG22 ILE 61 HG22 ILE 61 -5.274 4.237 -14.512 499 HG23 ILE 61 HG23 ILE 61 -6.145 5.703 -14.961 500 HD11 ILE 61 HD11 ILE 61 -7.329 3.611 -13.585 501 HD12 ILE 61 HD12 ILE 61 -7.877 3.461 -11.915 502 HD13 ILE 61 HD13 ILE 61 -8.032 5.001 -12.760 503 H ASN 62 H ASN 62 -3.863 4.704 -10.232 504 HA ASN 62 HA ASN 62 -4.129 7.023 -8.460 505 HB2 ASN 62 HB2 ASN 62 -5.902 4.613 -8.548 506 HB3 ASN 62 HB3 ASN 62 -5.571 5.374 -6.995 507 HD21 ASN 62 HD21 ASN 62 -7.406 6.376 -6.511 508 HD22 ASN 62 HD22 ASN 62 -8.212 7.526 -7.518 509 H ALA 63 H ALA 63 -3.411 3.562 -8.731 510 HA ALA 63 HA ALA 63 -1.836 2.252 -7.740 511 HB1 ALA 63 HB1 ALA 63 -0.450 4.345 -8.426 512 HB2 ALA 63 HB2 ALA 63 -0.410 4.657 -6.690 513 HB3 ALA 63 HB3 ALA 63 0.248 3.151 -7.331 514 H SER 64 H SER 64 -4.200 3.225 -6.260 515 HA SER 64 HA SER 64 -3.169 3.020 -3.508 516 HB2 SER 64 HB2 SER 64 -4.545 5.081 -4.248 517 HB3 SER 64 HB3 SER 64 -5.931 3.991 -4.213 518 HG SER 64 HG SER 64 -5.674 5.046 -2.218 519 H ALA 65 H ALA 65 -5.260 1.630 -5.897 520 HA ALA 65 HA ALA 65 -6.342 -0.280 -3.951 521 HB1 ALA 65 HB1 ALA 65 -7.179 0.565 -6.695 522 HB2 ALA 65 HB2 ALA 65 -7.725 -0.974 -6.028 523 HB3 ALA 65 HB3 ALA 65 -8.114 0.533 -5.199 524 H ALA 66 H ALA 66 -4.283 -0.039 -6.766 525 HA ALA 66 HA ALA 66 -3.188 -2.655 -6.225 526 HB1 ALA 66 HB1 ALA 66 -4.812 -3.553 -7.587 527 HB2 ALA 66 HB2 ALA 66 -4.884 -2.128 -8.624 528 HB3 ALA 66 HB3 ALA 66 -3.520 -3.239 -8.746 529 H GLN 67 H GLN 67 -1.373 -3.155 -7.792 530 HA GLN 67 HA GLN 67 -0.210 -0.822 -9.082 531 HB2 GLN 67 HB2 GLN 67 0.808 -2.033 -6.573 532 HB3 GLN 67 HB3 GLN 67 2.006 -1.620 -7.792 533 HG2 GLN 67 HG2 GLN 67 -0.024 0.426 -7.096 534 HG3 GLN 67 HG3 GLN 67 1.251 0.087 -5.926 535 HE21 GLN 67 HE21 GLN 67 0.697 0.913 -9.315 536 HE22 GLN 67 HE22 GLN 67 2.152 1.822 -9.516 537 H ILE 68 H ILE 68 0.832 -1.367 -10.894 538 HA ILE 68 HA ILE 68 1.835 -4.111 -11.186 539 HB ILE 68 HB ILE 68 0.129 -2.673 -13.222 540 HG12 ILE 68 HG12 ILE 68 -1.143 -4.977 -12.844 541 HG13 ILE 68 HG13 ILE 68 -0.355 -4.880 -11.273 542 HG21 ILE 68 HG21 ILE 68 2.135 -4.681 -13.551 543 HG22 ILE 68 HG22 ILE 68 0.557 -5.363 -13.941 544 HG23 ILE 68 HG23 ILE 68 1.121 -3.913 -14.772 545 HD11 ILE 68 HD11 ILE 68 -1.378 -2.394 -11.464 546 HD12 ILE 68 HD12 ILE 68 -2.575 -3.314 -12.376 547 HD13 ILE 68 HD13 ILE 68 -2.206 -3.755 -10.709 548 H ILE 69 H ILE 69 3.814 -4.214 -12.040 549 HA ILE 69 HA ILE 69 4.876 -1.797 -13.353 550 HB ILE 69 HB ILE 69 6.439 -3.871 -11.811 551 HG12 ILE 69 HG12 ILE 69 6.780 -1.664 -10.364 552 HG13 ILE 69 HG13 ILE 69 5.203 -1.268 -11.040 553 HG21 ILE 69 HG21 ILE 69 7.179 -1.594 -13.520 554 HG22 ILE 69 HG22 ILE 69 8.037 -1.701 -11.983 555 HG23 ILE 69 HG23 ILE 69 8.083 -3.053 -13.115 556 HD11 ILE 69 HD11 ILE 69 4.180 -3.095 -10.003 557 HD12 ILE 69 HD12 ILE 69 5.724 -3.876 -9.662 558 HD13 ILE 69 HD13 ILE 69 5.258 -2.422 -8.781 559 H VAL 70 H VAL 70 5.201 -2.041 -15.454 560 HA VAL 70 HA VAL 70 5.387 -4.686 -16.627 561 HB VAL 70 HB VAL 70 5.420 -1.968 -17.946 562 HG11 VAL 70 HG11 VAL 70 4.596 -3.691 -19.854 563 HG12 VAL 70 HG12 VAL 70 6.270 -3.171 -19.652 564 HG13 VAL 70 HG13 VAL 70 5.735 -4.709 -18.973 565 HG21 VAL 70 HG21 VAL 70 3.099 -2.506 -18.569 566 HG22 VAL 70 HG22 VAL 70 3.194 -3.974 -17.597 567 HG23 VAL 70 HG23 VAL 70 3.314 -2.395 -16.821 568 H THR 71 H THR 71 7.297 -5.672 -16.623 569 HA THR 71 HA THR 71 9.774 -4.203 -16.564 570 HB THR 71 HB THR 71 10.761 -6.577 -16.780 571 HG1 THR 71 HG1 THR 71 9.390 -8.206 -16.829 572 HG21 THR 71 HG21 THR 71 10.376 -5.167 -14.662 573 HG22 THR 71 HG22 THR 71 10.611 -6.904 -14.465 574 HG23 THR 71 HG23 THR 71 8.989 -6.219 -14.382 575 H ASP 72 H ASP 72 9.781 -3.083 -18.544 576 HA ASP 72 HA ASP 72 9.546 -4.452 -21.048 577 HB2 ASP 72 HB2 ASP 72 9.101 -1.953 -20.521 578 HB3 ASP 72 HB3 ASP 72 10.842 -1.761 -20.707
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