NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23935 | 2jza | 15611 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -19.032 -6.718 5.709 2 H1 MET 1 H1 MET 1 -20.969 -7.962 7.569 3 H2 MET 1 H2 MET 1 -21.228 -6.508 6.741 4 H3 MET 1 H3 MET 1 -19.975 -6.619 7.876 5 HB2 MET 1 HB2 MET 1 -18.010 -8.159 7.408 6 HB3 MET 1 HB3 MET 1 -19.128 -9.454 7.000 7 HG2 MET 1 HG2 MET 1 -18.160 -9.412 4.683 8 HG3 MET 1 HG3 MET 1 -16.925 -8.319 5.305 9 HE1 MET 1 HE1 MET 1 -18.646 -11.391 7.090 10 HE2 MET 1 HE2 MET 1 -17.495 -12.675 6.721 11 HE3 MET 1 HE3 MET 1 -18.434 -11.936 5.425 12 H SER 2 H SER 2 -20.033 -6.566 3.789 13 HA SER 2 HA SER 2 -21.551 -8.911 2.858 14 HG SER 2 HG SER 2 -23.950 -7.470 1.377 15 HB2 SER 2 HB2 SER 2 -22.920 -6.856 3.086 16 HB3 SER 2 HB3 SER 2 -21.838 -6.025 1.971 17 H GLN 3 H GLN 3 -19.988 -6.136 1.257 18 HA GLN 3 HA GLN 3 -18.671 -8.017 -0.577 19 HB2 GLN 3 HB2 GLN 3 -18.415 -6.022 -2.055 20 HB3 GLN 3 HB3 GLN 3 -20.088 -6.448 -1.724 21 HG2 GLN 3 HG2 GLN 3 -20.234 -4.677 -0.073 22 HG3 GLN 3 HG3 GLN 3 -18.543 -4.261 -0.352 23 HE21 GLN 3 HE21 GLN 3 -21.767 -4.175 -1.627 24 HE22 GLN 3 HE22 GLN 3 -21.450 -3.056 -2.905 25 H TRP 4 H TRP 4 -17.855 -7.201 2.142 26 HA TRP 4 HA TRP 4 -15.428 -5.642 1.665 27 HD1 TRP 4 HD1 TRP 4 -19.122 -5.502 3.430 28 HE1 TRP 4 HE1 TRP 4 -19.964 -3.071 3.279 29 HE3 TRP 4 HE3 TRP 4 -14.628 -3.101 3.639 30 HZ2 TRP 4 HZ2 TRP 4 -18.849 -0.478 3.266 31 HZ3 TRP 4 HZ3 TRP 4 -14.597 -0.641 3.563 32 HH2 TRP 4 HH2 TRP 4 -16.667 0.644 3.376 33 HB2 TRP 4 HB2 TRP 4 -16.728 -6.506 4.257 34 HB3 TRP 4 HB3 TRP 4 -15.334 -5.438 4.110 35 H THR 5 H THR 5 -13.691 -6.790 1.174 36 HA THR 5 HA THR 5 -13.469 -9.545 2.134 37 HB THR 5 HB THR 5 -11.801 -8.133 0.045 38 HG1 THR 5 HG1 THR 5 -14.160 -9.727 -0.157 39 HG21 THR 5 HG21 THR 5 -11.240 -10.428 -0.664 40 HG22 THR 5 HG22 THR 5 -12.146 -11.059 0.711 41 HG23 THR 5 HG23 THR 5 -10.697 -10.089 0.980 42 H THR 6 H THR 6 -11.836 -10.223 3.442 43 HA THR 6 HA THR 6 -10.474 -8.286 5.019 44 HB THR 6 HB THR 6 -9.803 -11.220 4.922 45 HG1 THR 6 HG1 THR 6 -11.985 -11.306 5.147 46 HG21 THR 6 HG21 THR 6 -8.432 -9.771 6.355 47 HG22 THR 6 HG22 THR 6 -9.391 -10.905 7.309 48 HG23 THR 6 HG23 THR 6 -9.888 -9.217 7.179 49 H VAL 7 H VAL 7 -8.479 -7.446 4.779 50 HA VAL 7 HA VAL 7 -6.872 -8.280 2.501 51 HB VAL 7 HB VAL 7 -6.266 -6.124 4.536 52 HG11 VAL 7 HG11 VAL 7 -4.770 -5.246 2.815 53 HG12 VAL 7 HG12 VAL 7 -5.182 -6.597 1.759 54 HG13 VAL 7 HG13 VAL 7 -4.322 -6.890 3.270 55 HG21 VAL 7 HG21 VAL 7 -7.119 -4.542 2.848 56 HG22 VAL 7 HG22 VAL 7 -8.374 -5.623 3.456 57 HG23 VAL 7 HG23 VAL 7 -7.658 -5.906 1.869 58 H CYS 8 H CYS 8 -5.990 -7.485 5.848 59 HA CYS 8 HA CYS 8 -4.703 -10.038 6.251 60 HG CYS 8 HG CYS 8 -3.570 -9.592 3.825 61 HB2 CYS 8 HB2 CYS 8 -3.094 -7.476 6.164 62 HB3 CYS 8 HB3 CYS 8 -2.511 -8.982 6.860 63 H LYS 9 H LYS 9 -3.476 -9.858 8.509 64 HA LYS 9 HA LYS 9 -5.426 -8.906 10.396 65 HB2 LYS 9 HB2 LYS 9 -2.658 -9.954 11.005 66 HB3 LYS 9 HB3 LYS 9 -4.035 -9.878 12.093 67 HG2 LYS 9 HG2 LYS 9 -5.196 -11.515 10.615 68 HG3 LYS 9 HG3 LYS 9 -3.687 -11.685 9.715 69 HD2 LYS 9 HD2 LYS 9 -2.607 -12.220 11.960 70 HD3 LYS 9 HD3 LYS 9 -4.253 -12.396 12.576 71 HE2 LYS 9 HE2 LYS 9 -3.470 -14.564 11.955 72 HE3 LYS 9 HE3 LYS 9 -4.670 -14.061 10.765 73 HZ1 LYS 9 HZ1 LYS 9 -1.718 -14.067 10.451 74 HZ2 LYS 9 HZ2 LYS 9 -2.767 -13.315 9.354 75 HZ3 LYS 9 HZ3 LYS 9 -2.852 -14.991 9.588 76 H LEU 10 H LEU 10 -5.192 -7.221 11.840 77 HA LEU 10 HA LEU 10 -3.745 -4.956 10.989 78 HG LEU 10 HG LEU 10 -3.415 -3.622 13.711 79 HB2 LEU 10 HB2 LEU 10 -5.796 -4.811 12.303 80 HB3 LEU 10 HB3 LEU 10 -5.005 -5.596 13.655 81 HD11 LEU 10 HD11 LEU 10 -3.835 -2.757 11.486 82 HD12 LEU 10 HD12 LEU 10 -4.244 -1.545 12.700 83 HD13 LEU 10 HD13 LEU 10 -5.524 -2.456 11.901 84 HD21 LEU 10 HD21 LEU 10 -6.344 -3.176 14.261 85 HD22 LEU 10 HD22 LEU 10 -5.023 -2.218 14.928 86 HD23 LEU 10 HD23 LEU 10 -5.175 -3.925 15.350 87 H ASP 11 H ASP 11 -3.092 -7.467 13.326 88 HA ASP 11 HA ASP 11 -0.990 -6.088 14.676 89 HB2 ASP 11 HB2 ASP 11 -2.350 -7.798 15.801 90 HB3 ASP 11 HB3 ASP 11 -1.713 -9.025 14.707 91 H ASP 12 H ASP 12 -1.173 -8.374 12.035 92 HA ASP 12 HA ASP 12 1.606 -8.973 11.959 93 HB2 ASP 12 HB2 ASP 12 -0.631 -9.303 9.980 94 HB3 ASP 12 HB3 ASP 12 1.038 -9.626 9.518 95 H ILE 13 H ILE 13 -0.223 -6.253 11.069 96 HA ILE 13 HA ILE 13 1.795 -5.305 9.184 97 HB ILE 13 HB ILE 13 -0.645 -3.843 10.212 98 HG12 ILE 13 HG12 ILE 13 -1.295 -5.875 9.001 99 HG13 ILE 13 HG13 ILE 13 -1.684 -4.442 8.053 100 HG21 ILE 13 HG21 ILE 13 1.199 -3.277 7.889 101 HG22 ILE 13 HG22 ILE 13 1.039 -2.328 9.367 102 HG23 ILE 13 HG23 ILE 13 -0.302 -2.412 8.225 103 HD11 ILE 13 HD11 ILE 13 0.697 -6.236 7.646 104 HD12 ILE 13 HD12 ILE 13 0.309 -4.802 6.696 105 HD13 ILE 13 HD13 ILE 13 -0.765 -6.200 6.660 106 H LEU 14 H LEU 14 3.598 -4.496 9.990 107 HA LEU 14 HA LEU 14 3.901 -3.684 12.679 108 HG LEU 14 HG LEU 14 5.423 -5.650 10.851 109 HB2 LEU 14 HB2 LEU 14 5.681 -3.266 10.279 110 HB3 LEU 14 HB3 LEU 14 6.150 -2.928 11.931 111 HD11 LEU 14 HD11 LEU 14 8.100 -4.499 11.622 112 HD12 LEU 14 HD12 LEU 14 7.553 -4.825 9.977 113 HD13 LEU 14 HD13 LEU 14 7.789 -6.158 11.108 114 HD21 LEU 14 HD21 LEU 14 4.850 -5.401 13.209 115 HD22 LEU 14 HD22 LEU 14 6.474 -4.806 13.550 116 HD23 LEU 14 HD23 LEU 14 6.240 -6.469 13.011 117 HA PRO 15 HA PRO 15 2.437 0.519 12.529 118 HB2 PRO 15 HB2 PRO 15 4.484 0.885 14.659 119 HB3 PRO 15 HB3 PRO 15 2.763 1.292 14.667 120 HG2 PRO 15 HG2 PRO 15 3.658 -0.821 16.015 121 HG3 PRO 15 HG3 PRO 15 2.117 -0.887 15.141 122 HD2 PRO 15 HD2 PRO 15 4.773 -2.037 14.388 123 HD3 PRO 15 HD3 PRO 15 3.145 -2.714 14.170 124 H GLY 16 H GLY 16 3.031 2.183 11.327 125 HA2 GLY 16 HA2 GLY 16 4.368 3.770 10.305 126 HA3 GLY 16 HA3 GLY 16 5.766 3.085 11.125 127 H THR 17 H THR 17 3.520 1.171 9.184 128 HA THR 17 HA THR 17 5.477 0.951 7.030 129 HB THR 17 HB THR 17 4.739 -1.637 8.360 130 HG1 THR 17 HG1 THR 17 5.682 -0.409 10.031 131 HG21 THR 17 HG21 THR 17 7.184 -0.740 6.828 132 HG22 THR 17 HG22 THR 17 5.835 -1.654 6.155 133 HG23 THR 17 HG23 THR 17 6.858 -2.378 7.395 134 H GLY 18 H GLY 18 4.667 -0.925 5.488 135 HA2 GLY 18 HA2 GLY 18 2.037 -1.811 5.496 136 HA3 GLY 18 HA3 GLY 18 2.046 -0.262 4.664 137 H VAL 19 H VAL 19 1.872 -3.348 3.981 138 HA VAL 19 HA VAL 19 3.567 -3.092 1.599 139 HB VAL 19 HB VAL 19 3.906 -5.539 1.591 140 HG11 VAL 19 HG11 VAL 19 5.615 -4.069 2.538 141 HG12 VAL 19 HG12 VAL 19 5.566 -5.621 3.375 142 HG13 VAL 19 HG13 VAL 19 4.847 -4.195 4.122 143 HG21 VAL 19 HG21 VAL 19 2.637 -5.455 4.326 144 HG22 VAL 19 HG22 VAL 19 3.408 -6.856 3.583 145 HG23 VAL 19 HG23 VAL 19 1.936 -6.184 2.881 146 H CYS 20 H CYS 20 2.843 -4.425 -0.269 147 HA CYS 20 HA CYS 20 -0.034 -4.172 -0.510 148 HG CYS 20 HG CYS 20 2.510 -5.934 -3.801 149 HB2 CYS 20 HB2 CYS 20 0.425 -4.766 -2.904 150 HB3 CYS 20 HB3 CYS 20 1.269 -3.331 -2.333 151 H ALA 21 H ALA 21 -1.454 -5.799 -0.862 152 HA ALA 21 HA ALA 21 -0.408 -8.545 -0.997 153 HB1 ALA 21 HB1 ALA 21 -2.314 -9.301 0.331 154 HB2 ALA 21 HB2 ALA 21 -2.877 -7.638 0.488 155 HB3 ALA 21 HB3 ALA 21 -1.352 -8.127 1.227 156 H LEU 22 H LEU 22 -1.554 -9.951 -2.344 157 HA LEU 22 HA LEU 22 -3.020 -8.684 -4.476 158 HG LEU 22 HG LEU 22 -2.421 -11.729 -6.511 159 HB2 LEU 22 HB2 LEU 22 -1.407 -10.704 -4.618 160 HB3 LEU 22 HB3 LEU 22 -2.757 -11.655 -4.038 161 HD11 LEU 22 HD11 LEU 22 -5.048 -10.559 -5.610 162 HD12 LEU 22 HD12 LEU 22 -4.599 -12.264 -5.565 163 HD13 LEU 22 HD13 LEU 22 -4.769 -11.436 -7.114 164 HD21 LEU 22 HD21 LEU 22 -3.281 -8.845 -6.366 165 HD22 LEU 22 HD22 LEU 22 -3.113 -9.797 -7.841 166 HD23 LEU 22 HD23 LEU 22 -1.694 -9.439 -6.855 167 H VAL 23 H VAL 23 -4.920 -7.890 -3.680 168 HA VAL 23 HA VAL 23 -6.640 -9.664 -2.127 169 HB VAL 23 HB VAL 23 -7.062 -6.743 -2.786 170 HG11 VAL 23 HG11 VAL 23 -9.130 -7.916 -2.288 171 HG12 VAL 23 HG12 VAL 23 -8.709 -6.827 -0.965 172 HG13 VAL 23 HG13 VAL 23 -8.428 -8.560 -0.805 173 HG21 VAL 23 HG21 VAL 23 -5.063 -7.031 -1.431 174 HG22 VAL 23 HG22 VAL 23 -5.965 -8.023 -0.284 175 HG23 VAL 23 HG23 VAL 23 -6.359 -6.314 -0.472 176 H GLU 24 H GLU 24 -7.406 -11.069 -3.604 177 HA GLU 24 HA GLU 24 -8.883 -11.927 -5.078 178 HB2 GLU 24 HB2 GLU 24 -10.126 -9.179 -4.932 179 HB3 GLU 24 HB3 GLU 24 -10.878 -10.589 -5.667 180 HG2 GLU 24 HG2 GLU 24 -10.131 -10.271 -2.771 181 HG3 GLU 24 HG3 GLU 24 -11.757 -10.227 -3.452 182 H GLN 25 H GLN 25 -8.900 -8.618 -6.369 183 HA GLN 25 HA GLN 25 -7.820 -9.705 -8.891 184 HB2 GLN 25 HB2 GLN 25 -10.121 -7.851 -8.408 185 HB3 GLN 25 HB3 GLN 25 -9.183 -7.678 -9.882 186 HG2 GLN 25 HG2 GLN 25 -10.573 -9.163 -10.761 187 HG3 GLN 25 HG3 GLN 25 -9.703 -10.368 -9.818 188 HE21 GLN 25 HE21 GLN 25 -10.719 -9.425 -7.273 189 HE22 GLN 25 HE22 GLN 25 -12.367 -9.941 -7.188 190 H GLN 26 H GLN 26 -7.519 -7.322 -6.439 191 HA GLN 26 HA GLN 26 -5.740 -5.736 -8.158 192 HB2 GLN 26 HB2 GLN 26 -7.714 -4.712 -6.108 193 HB3 GLN 26 HB3 GLN 26 -6.577 -3.726 -7.005 194 HG2 GLN 26 HG2 GLN 26 -7.681 -4.179 -9.066 195 HG3 GLN 26 HG3 GLN 26 -8.704 -5.395 -8.306 196 HE21 GLN 26 HE21 GLN 26 -9.103 -3.725 -5.920 197 HE22 GLN 26 HE22 GLN 26 -10.229 -2.505 -6.393 198 H GLN 27 H GLN 27 -3.879 -4.908 -7.172 199 HA GLN 27 HA GLN 27 -3.156 -6.064 -4.623 200 HB2 GLN 27 HB2 GLN 27 -1.669 -4.304 -6.564 201 HB3 GLN 27 HB3 GLN 27 -1.021 -4.703 -4.980 202 HG2 GLN 27 HG2 GLN 27 -1.443 -7.157 -5.715 203 HG3 GLN 27 HG3 GLN 27 -1.473 -6.470 -7.339 204 HE21 GLN 27 HE21 GLN 27 0.435 -5.606 -8.207 205 HE22 GLN 27 HE22 GLN 27 1.982 -5.900 -7.492 206 H ILE 28 H ILE 28 -3.241 -5.098 -2.707 207 HA ILE 28 HA ILE 28 -3.780 -2.202 -2.627 208 HB ILE 28 HB ILE 28 -5.121 -4.358 -0.978 209 HG12 ILE 28 HG12 ILE 28 -6.248 -2.371 -2.967 210 HG13 ILE 28 HG13 ILE 28 -6.022 -4.092 -3.258 211 HG21 ILE 28 HG21 ILE 28 -6.375 -2.541 0.081 212 HG22 ILE 28 HG22 ILE 28 -5.396 -1.363 -0.793 213 HG23 ILE 28 HG23 ILE 28 -4.644 -2.418 0.404 214 HD11 ILE 28 HD11 ILE 28 -8.343 -3.544 -2.766 215 HD12 ILE 28 HD12 ILE 28 -7.860 -2.890 -1.200 216 HD13 ILE 28 HD13 ILE 28 -7.658 -4.609 -1.539 217 H ALA 29 H ALA 29 -2.604 -1.076 -1.202 218 HA ALA 29 HA ALA 29 -0.733 -2.566 0.509 219 HB1 ALA 29 HB1 ALA 29 -0.605 0.280 -0.486 220 HB2 ALA 29 HB2 ALA 29 0.305 -1.084 -1.134 221 HB3 ALA 29 HB3 ALA 29 0.613 -0.523 0.509 222 H VAL 30 H VAL 30 -0.593 -2.097 2.702 223 HA VAL 30 HA VAL 30 -2.895 -0.530 3.718 224 HB VAL 30 HB VAL 30 -1.557 -2.885 5.072 225 HG11 VAL 30 HG11 VAL 30 -4.066 -1.360 5.774 226 HG12 VAL 30 HG12 VAL 30 -2.533 -1.299 6.645 227 HG13 VAL 30 HG13 VAL 30 -3.466 -2.795 6.605 228 HG21 VAL 30 HG21 VAL 30 -2.757 -3.606 3.081 229 HG22 VAL 30 HG22 VAL 30 -4.196 -2.738 3.617 230 HG23 VAL 30 HG23 VAL 30 -3.605 -4.121 4.539 231 H PHE 31 H PHE 31 -2.024 1.402 4.213 232 HA PHE 31 HA PHE 31 0.511 1.740 5.509 233 HD1 PHE 31 HD2 PHE 31 -2.170 2.967 2.897 234 HD2 PHE 31 HD1 PHE 31 1.475 4.632 4.325 235 HE1 PHE 31 HE2 PHE 31 -1.541 3.552 0.593 236 HE2 PHE 31 HE1 PHE 31 2.106 5.229 2.023 237 HZ PHE 31 HZ PHE 31 0.596 4.689 0.154 238 HB2 PHE 31 HB2 PHE 31 -1.837 3.639 5.273 239 HB3 PHE 31 HB3 PHE 31 -0.234 4.081 5.837 240 H ARG 32 H ARG 32 0.847 1.152 7.610 241 HA ARG 32 HA ARG 32 -1.344 1.755 9.465 242 HE ARG 32 HE ARG 32 -2.051 -0.697 13.435 243 HB2 ARG 32 HB2 ARG 32 -0.546 -0.640 9.429 244 HB3 ARG 32 HB3 ARG 32 0.977 -0.052 10.095 245 HG2 ARG 32 HG2 ARG 32 -0.163 0.805 12.045 246 HG3 ARG 32 HG3 ARG 32 -1.724 0.353 11.366 247 HD2 ARG 32 HD2 ARG 32 -0.939 -2.028 11.393 248 HD3 ARG 32 HD3 ARG 32 0.481 -1.483 12.288 249 HH11 ARG 32 HH11 ARG 32 0.459 -3.153 13.391 250 HH12 ARG 32 HH12 ARG 32 0.034 -3.782 14.960 251 HH21 ARG 32 HH21 ARG 32 -2.619 -1.546 15.465 252 HH22 ARG 32 HH22 ARG 32 -1.696 -2.853 16.136 253 HA PRO 33 HA PRO 33 1.485 5.092 10.500 254 HB2 PRO 33 HB2 PRO 33 -0.817 6.125 11.995 255 HB3 PRO 33 HB3 PRO 33 0.058 6.852 10.645 256 HG2 PRO 33 HG2 PRO 33 -2.456 5.905 10.390 257 HG3 PRO 33 HG3 PRO 33 -1.280 5.848 9.065 258 HD2 PRO 33 HD2 PRO 33 -2.136 3.667 10.934 259 HD3 PRO 33 HD3 PRO 33 -1.840 3.597 9.183 260 H ARG 34 H ARG 34 -0.932 3.973 12.884 261 HA ARG 34 HA ARG 34 1.213 3.880 14.906 262 HE ARG 34 HE ARG 34 -0.580 6.105 18.070 263 HB2 ARG 34 HB2 ARG 34 -1.654 4.776 15.226 264 HB3 ARG 34 HB3 ARG 34 -0.591 4.431 16.581 265 HG2 ARG 34 HG2 ARG 34 0.882 6.223 15.941 266 HG3 ARG 34 HG3 ARG 34 -0.063 6.521 14.480 267 HD2 ARG 34 HD2 ARG 34 -0.538 8.103 16.354 268 HD3 ARG 34 HD3 ARG 34 -1.950 7.234 15.755 269 HH11 ARG 34 HH11 ARG 34 -3.267 7.981 16.819 270 HH12 ARG 34 HH12 ARG 34 -4.232 7.797 18.256 271 HH21 ARG 34 HH21 ARG 34 -1.844 5.816 19.936 272 HH22 ARG 34 HH22 ARG 34 -3.418 6.552 20.043 273 H ASN 35 H ASN 35 0.110 2.643 16.942 274 HA ASN 35 HA ASN 35 -0.394 -0.043 16.027 275 HB2 ASN 35 HB2 ASN 35 0.962 0.578 18.075 276 HB3 ASN 35 HB3 ASN 35 -0.551 1.011 18.861 277 HD21 ASN 35 HD21 ASN 35 -0.412 -0.529 20.445 278 HD22 ASN 35 HD22 ASN 35 -0.564 -2.227 20.126 279 H ASP 36 H ASP 36 -2.356 2.378 15.825 280 HA ASP 36 HA ASP 36 -4.712 1.503 17.212 281 HB2 ASP 36 HB2 ASP 36 -4.145 3.890 16.456 282 HB3 ASP 36 HB3 ASP 36 -4.618 3.383 14.845 283 H GLU 37 H GLU 37 -6.750 1.341 15.652 284 HA GLU 37 HA GLU 37 -6.207 -0.942 13.911 285 HB2 GLU 37 HB2 GLU 37 -8.816 0.218 14.906 286 HB3 GLU 37 HB3 GLU 37 -8.667 -1.214 13.904 287 HG2 GLU 37 HG2 GLU 37 -7.308 -2.250 15.720 288 HG3 GLU 37 HG3 GLU 37 -7.702 -0.855 16.727 289 H GLN 38 H GLN 38 -7.026 2.398 13.806 290 HA GLN 38 HA GLN 38 -8.213 2.392 11.211 291 HB2 GLN 38 HB2 GLN 38 -6.970 4.656 12.780 292 HB3 GLN 38 HB3 GLN 38 -7.889 4.846 11.293 293 HG2 GLN 38 HG2 GLN 38 -9.827 3.780 12.465 294 HG3 GLN 38 HG3 GLN 38 -8.891 3.877 13.957 295 HE21 GLN 38 HE21 GLN 38 -8.460 5.906 14.855 296 HE22 GLN 38 HE22 GLN 38 -9.353 7.315 14.396 297 H VAL 39 H VAL 39 -6.994 1.463 9.701 298 HA VAL 39 HA VAL 39 -4.359 2.647 9.160 299 HB VAL 39 HB VAL 39 -3.846 0.584 7.896 300 HG11 VAL 39 HG11 VAL 39 -3.550 -0.888 9.839 301 HG12 VAL 39 HG12 VAL 39 -4.639 0.141 10.771 302 HG13 VAL 39 HG13 VAL 39 -3.099 0.779 10.192 303 HG21 VAL 39 HG21 VAL 39 -6.061 -0.137 7.292 304 HG22 VAL 39 HG22 VAL 39 -6.496 -0.355 8.987 305 HG23 VAL 39 HG23 VAL 39 -5.289 -1.405 8.245 306 H TYR 40 H TYR 40 -3.873 2.203 6.655 307 HA TYR 40 HA TYR 40 -6.231 3.139 5.156 308 HD1 TYR 40 HD1 TYR 40 -6.498 6.060 4.558 309 HD2 TYR 40 HD2 TYR 40 -3.299 5.060 7.183 310 HE1 TYR 40 HE1 TYR 40 -7.153 7.899 6.052 311 HE2 TYR 40 HE2 TYR 40 -3.952 6.894 8.685 312 HH TYR 40 HH TYR 40 -6.911 8.570 8.371 313 HB2 TYR 40 HB2 TYR 40 -3.388 4.149 4.942 314 HB3 TYR 40 HB3 TYR 40 -4.685 4.578 3.833 315 H ALA 41 H ALA 41 -6.725 1.370 4.026 316 HA ALA 41 HA ALA 41 -4.564 -0.051 2.642 317 HB1 ALA 41 HB1 ALA 41 -5.971 -1.446 4.062 318 HB2 ALA 41 HB2 ALA 41 -6.165 -1.883 2.363 319 HB3 ALA 41 HB3 ALA 41 -7.401 -0.922 3.173 320 H ILE 42 H ILE 42 -4.218 1.095 0.813 321 HA ILE 42 HA ILE 42 -6.512 1.404 -1.003 322 HB ILE 42 HB ILE 42 -5.671 3.566 -1.771 323 HG12 ILE 42 HG12 ILE 42 -3.665 3.372 0.485 324 HG13 ILE 42 HG13 ILE 42 -3.279 3.143 -1.218 325 HG21 ILE 42 HG21 ILE 42 -6.096 3.442 1.212 326 HG22 ILE 42 HG22 ILE 42 -7.340 3.604 -0.029 327 HG23 ILE 42 HG23 ILE 42 -6.183 4.907 0.236 328 HD11 ILE 42 HD11 ILE 42 -4.316 5.673 0.044 329 HD12 ILE 42 HD12 ILE 42 -3.969 5.451 -1.670 330 HD13 ILE 42 HD13 ILE 42 -2.662 5.370 -0.489 331 H SER 43 H SER 43 -5.661 1.950 -3.295 332 HA SER 43 HA SER 43 -3.617 -0.025 -3.906 333 HG SER 43 HG SER 43 -5.469 -1.094 -4.842 334 HB2 SER 43 HB2 SER 43 -5.419 1.607 -5.709 335 HB3 SER 43 HB3 SER 43 -4.289 0.373 -6.264 336 H ASN 44 H ASN 44 -1.788 1.039 -3.133 337 HA ASN 44 HA ASN 44 -0.882 3.276 -4.827 338 HB2 ASN 44 HB2 ASN 44 -1.346 4.034 -2.519 339 HB3 ASN 44 HB3 ASN 44 -0.210 2.837 -1.909 340 HD21 ASN 44 HD21 ASN 44 1.014 4.486 -0.957 341 HD22 ASN 44 HD22 ASN 44 2.042 5.509 -1.898 342 H ILE 45 H ILE 45 0.033 1.764 -6.235 343 HA ILE 45 HA ILE 45 2.379 0.299 -5.192 344 HB ILE 45 HB ILE 45 0.585 -0.514 -7.495 345 HG12 ILE 45 HG12 ILE 45 -0.603 -0.786 -5.386 346 HG13 ILE 45 HG13 ILE 45 -0.157 -2.360 -6.033 347 HG21 ILE 45 HG21 ILE 45 2.884 -1.241 -7.779 348 HG22 ILE 45 HG22 ILE 45 1.825 -2.614 -7.456 349 HG23 ILE 45 HG23 ILE 45 2.862 -1.982 -6.178 350 HD11 ILE 45 HD11 ILE 45 0.176 -2.252 -3.631 351 HD12 ILE 45 HD12 ILE 45 1.282 -0.895 -3.841 352 HD13 ILE 45 HD13 ILE 45 1.706 -2.485 -4.478 353 H ASP 46 H ASP 46 4.258 0.486 -6.374 354 HA ASP 46 HA ASP 46 4.240 2.458 -8.533 355 HB2 ASP 46 HB2 ASP 46 5.917 2.565 -6.641 356 HB3 ASP 46 HB3 ASP 46 6.639 1.098 -7.295 357 HA PRO 47 HA PRO 47 4.002 -0.849 -11.458 358 HB2 PRO 47 HB2 PRO 47 4.918 1.155 -13.415 359 HB3 PRO 47 HB3 PRO 47 3.411 0.239 -13.364 360 HG2 PRO 47 HG2 PRO 47 3.473 2.859 -12.807 361 HG3 PRO 47 HG3 PRO 47 2.382 1.751 -11.952 362 HD2 PRO 47 HD2 PRO 47 4.990 2.920 -11.053 363 HD3 PRO 47 HD3 PRO 47 3.485 2.685 -10.138 364 H PHE 48 H PHE 48 6.880 0.840 -10.696 365 HA PHE 48 HA PHE 48 8.496 -0.778 -12.516 366 HD1 PHE 48 HD1 PHE 48 10.419 0.344 -13.967 367 HD2 PHE 48 HD2 PHE 48 11.497 0.853 -9.883 368 HE1 PHE 48 HE1 PHE 48 12.762 -0.151 -14.526 369 HE2 PHE 48 HE2 PHE 48 13.842 0.365 -10.437 370 HZ PHE 48 HZ PHE 48 14.478 -0.140 -12.760 371 HB2 PHE 48 HB2 PHE 48 8.997 1.639 -12.272 372 HB3 PHE 48 HB3 PHE 48 9.343 1.381 -10.567 373 H ALA 49 H ALA 49 7.251 -0.975 -9.395 374 HA ALA 49 HA ALA 49 9.454 -2.747 -8.547 375 HB1 ALA 49 HB1 ALA 49 7.768 -1.022 -6.737 376 HB2 ALA 49 HB2 ALA 49 9.408 -0.645 -7.263 377 HB3 ALA 49 HB3 ALA 49 9.110 -2.062 -6.256 378 H GLN 50 H GLN 50 6.045 -2.240 -8.824 379 HA GLN 50 HA GLN 50 4.261 -3.623 -8.731 380 HB2 GLN 50 HB2 GLN 50 6.300 -5.829 -8.384 381 HB3 GLN 50 HB3 GLN 50 4.588 -6.068 -8.707 382 HG2 GLN 50 HG2 GLN 50 6.566 -4.718 -10.531 383 HG3 GLN 50 HG3 GLN 50 5.918 -6.346 -10.718 384 HE21 GLN 50 HE21 GLN 50 5.796 -4.062 -12.516 385 HE22 GLN 50 HE22 GLN 50 4.113 -3.773 -12.803 386 H ALA 51 H ALA 51 5.871 -2.651 -6.268 387 HA ALA 51 HA ALA 51 4.276 -4.122 -4.271 388 HB1 ALA 51 HB1 ALA 51 6.608 -4.937 -4.227 389 HB2 ALA 51 HB2 ALA 51 6.139 -4.132 -2.730 390 HB3 ALA 51 HB3 ALA 51 7.158 -3.294 -3.902 391 H SER 52 H SER 52 4.544 -2.873 -2.098 392 HA SER 52 HA SER 52 3.413 -0.274 -2.588 393 HG SER 52 HG SER 52 4.256 -1.743 0.954 394 HB2 SER 52 HB2 SER 52 3.125 -0.325 -0.080 395 HB3 SER 52 HB3 SER 52 2.364 -1.665 -0.945 396 H VAL 53 H VAL 53 6.007 -0.121 -3.421 397 HA VAL 53 HA VAL 53 7.802 0.701 -1.352 398 HB VAL 53 HB VAL 53 9.248 1.544 -3.157 399 HG11 VAL 53 HG11 VAL 53 9.331 -0.815 -2.550 400 HG12 VAL 53 HG12 VAL 53 9.638 -0.597 -4.273 401 HG13 VAL 53 HG13 VAL 53 8.063 -1.170 -3.723 402 HG21 VAL 53 HG21 VAL 53 7.564 2.415 -4.668 403 HG22 VAL 53 HG22 VAL 53 6.961 0.786 -4.968 404 HG23 VAL 53 HG23 VAL 53 8.579 1.240 -5.505 405 H LEU 54 H LEU 54 5.305 2.195 -3.134 406 HA LEU 54 HA LEU 54 6.063 4.906 -2.520 407 HG LEU 54 HG LEU 54 5.264 3.478 -5.219 408 HB2 LEU 54 HB2 LEU 54 3.478 3.745 -3.568 409 HB3 LEU 54 HB3 LEU 54 3.827 5.456 -3.448 410 HD11 LEU 54 HD11 LEU 54 3.332 5.702 -5.850 411 HD12 LEU 54 HD12 LEU 54 3.029 3.971 -6.009 412 HD13 LEU 54 HD13 LEU 54 4.226 4.756 -7.040 413 HD21 LEU 54 HD21 LEU 54 5.615 6.460 -4.938 414 HD22 LEU 54 HD22 LEU 54 6.401 5.438 -6.141 415 HD23 LEU 54 HD23 LEU 54 6.768 5.227 -4.428 416 H SER 55 H SER 55 4.756 2.362 -0.820 417 HA SER 55 HA SER 55 3.138 4.060 0.939 418 HG SER 55 HG SER 55 2.285 2.529 -0.932 419 HB2 SER 55 HB2 SER 55 3.350 1.044 0.912 420 HB3 SER 55 HB3 SER 55 2.147 2.020 1.755 421 H ARG 56 H ARG 56 6.144 2.453 0.713 422 HA ARG 56 HA ARG 56 6.506 2.317 3.606 423 HE ARG 56 HE ARG 56 10.108 -0.626 5.092 424 HB2 ARG 56 HB2 ARG 56 7.219 0.492 1.914 425 HB3 ARG 56 HB3 ARG 56 8.563 1.562 1.544 426 HG2 ARG 56 HG2 ARG 56 9.320 1.463 3.837 427 HG3 ARG 56 HG3 ARG 56 7.927 0.473 4.277 428 HD2 ARG 56 HD2 ARG 56 8.723 -1.234 2.639 429 HD3 ARG 56 HD3 ARG 56 10.181 -0.267 2.418 430 HH11 ARG 56 HH11 ARG 56 9.920 -2.826 2.364 431 HH12 ARG 56 HH12 ARG 56 10.553 -4.182 3.250 432 HH21 ARG 56 HH21 ARG 56 10.975 -2.398 6.258 433 HH22 ARG 56 HH22 ARG 56 11.191 -3.927 5.451 434 H GLY 57 H GLY 57 6.366 4.804 1.880 435 HA2 GLY 57 HA2 GLY 57 9.011 5.951 2.069 436 HA3 GLY 57 HA3 GLY 57 7.553 6.768 1.522 437 H ILE 58 H ILE 58 7.979 8.601 2.772 438 HA ILE 58 HA ILE 58 8.214 8.260 5.657 439 HB ILE 58 HB ILE 58 8.285 10.801 4.011 440 HG12 ILE 58 HG12 ILE 58 10.744 10.747 4.834 441 HG13 ILE 58 HG13 ILE 58 10.455 9.040 5.143 442 HG21 ILE 58 HG21 ILE 58 8.870 10.367 6.939 443 HG22 ILE 58 HG22 ILE 58 7.490 11.236 6.264 444 HG23 ILE 58 HG23 ILE 58 9.121 11.872 6.055 445 HD11 ILE 58 HD11 ILE 58 10.273 10.439 2.484 446 HD12 ILE 58 HD12 ILE 58 9.876 8.745 2.766 447 HD13 ILE 58 HD13 ILE 58 11.527 9.315 3.010 448 H VAL 59 H VAL 59 6.359 7.799 6.567 449 HA VAL 59 HA VAL 59 3.890 9.098 5.783 450 HB VAL 59 HB VAL 59 4.463 7.037 7.921 451 HG11 VAL 59 HG11 VAL 59 2.511 8.360 8.513 452 HG12 VAL 59 HG12 VAL 59 2.011 6.744 8.012 453 HG13 VAL 59 HG13 VAL 59 1.823 8.108 6.909 454 HG21 VAL 59 HG21 VAL 59 3.369 5.465 6.392 455 HG22 VAL 59 HG22 VAL 59 4.804 6.186 5.665 456 HG23 VAL 59 HG23 VAL 59 3.200 6.748 5.194 457 H ALA 60 H ALA 60 3.751 11.128 6.466 458 HA ALA 60 HA ALA 60 3.966 11.681 9.316 459 HB1 ALA 60 HB1 ALA 60 6.229 12.104 8.453 460 HB2 ALA 60 HB2 ALA 60 5.453 13.574 9.038 461 HB3 ALA 60 HB3 ALA 60 5.561 13.265 7.305 462 H GLU 61 H GLU 61 3.415 14.098 9.672 463 HA GLU 61 HA GLU 61 0.948 14.612 8.232 464 HB2 GLU 61 HB2 GLU 61 0.973 14.765 10.668 465 HB3 GLU 61 HB3 GLU 61 2.225 15.996 10.594 466 HG2 GLU 61 HG2 GLU 61 0.584 17.411 9.303 467 HG3 GLU 61 HG3 GLU 61 -0.642 16.218 9.739 468 H HIS 62 H HIS 62 0.876 15.915 6.524 469 HA HIS 62 HA HIS 62 3.211 17.519 5.875 470 HD2 HIS 62 HD2 HIS 62 0.118 19.254 3.161 471 HE1 HIS 62 HE1 HIS 62 3.889 19.703 1.296 472 HE2 HIS 62 HE2 HIS 62 1.600 20.748 1.637 473 HB2 HIS 62 HB2 HIS 62 2.298 16.218 4.074 474 HB3 HIS 62 HB3 HIS 62 0.686 16.859 4.352 475 H GLN 63 H GLN 63 -0.095 17.947 6.891 476 HA GLN 63 HA GLN 63 0.399 20.759 7.389 477 HB2 GLN 63 HB2 GLN 63 -0.447 20.715 5.064 478 HB3 GLN 63 HB3 GLN 63 -1.874 19.847 5.609 479 HG2 GLN 63 HG2 GLN 63 -2.446 21.791 7.038 480 HG3 GLN 63 HG3 GLN 63 -1.083 22.658 6.334 481 HE21 GLN 63 HE21 GLN 63 -2.345 24.246 5.434 482 HE22 GLN 63 HE22 GLN 63 -3.392 23.956 4.080 483 H ASP 64 H ASP 64 -2.376 18.562 7.102 484 HA ASP 64 HA ASP 64 -2.950 18.981 9.956 485 HB2 ASP 64 HB2 ASP 64 -4.431 20.475 8.854 486 HB3 ASP 64 HB3 ASP 64 -4.806 19.296 7.601 487 H ASP 65 H ASP 65 -2.781 16.909 7.243 488 HA ASP 65 HA ASP 65 -4.208 14.787 8.703 489 HB2 ASP 65 HB2 ASP 65 -5.180 15.855 6.478 490 HB3 ASP 65 HB3 ASP 65 -4.027 14.762 5.718 491 H LEU 66 H LEU 66 -3.600 12.618 7.272 492 HA LEU 66 HA LEU 66 -0.727 12.378 7.757 493 HG LEU 66 HG LEU 66 -3.107 11.324 9.491 494 HB2 LEU 66 HB2 LEU 66 -2.837 10.273 7.284 495 HB3 LEU 66 HB3 LEU 66 -1.151 9.949 7.644 496 HD11 LEU 66 HD11 LEU 66 -3.567 8.946 9.233 497 HD12 LEU 66 HD12 LEU 66 -2.924 9.299 10.837 498 HD13 LEU 66 HD13 LEU 66 -1.886 8.573 9.610 499 HD21 LEU 66 HD21 LEU 66 -0.248 10.481 9.947 500 HD22 LEU 66 HD22 LEU 66 -1.335 11.159 11.159 501 HD23 LEU 66 HD23 LEU 66 -0.824 12.140 9.785 502 H TRP 67 H TRP 67 0.657 12.436 6.148 503 HA TRP 67 HA TRP 67 -0.274 11.733 3.437 504 HD1 TRP 67 HD1 TRP 67 -0.830 14.569 5.608 505 HE1 TRP 67 HE1 TRP 67 -2.424 16.410 4.761 506 HE3 TRP 67 HE3 TRP 67 0.596 14.690 0.697 507 HZ2 TRP 67 HZ2 TRP 67 -2.997 17.726 2.337 508 HZ3 TRP 67 HZ3 TRP 67 -0.524 16.274 -0.812 509 HH2 TRP 67 HH2 TRP 67 -2.282 17.757 -0.010 510 HB2 TRP 67 HB2 TRP 67 1.730 13.862 4.223 511 HB3 TRP 67 HB3 TRP 67 1.340 13.403 2.573 512 H VAL 68 H VAL 68 1.275 10.707 2.084 513 HA VAL 68 HA VAL 68 3.648 9.727 3.521 514 HB VAL 68 HB VAL 68 2.126 7.901 2.939 515 HG11 VAL 68 HG11 VAL 68 1.035 8.856 0.991 516 HG12 VAL 68 HG12 VAL 68 1.725 7.281 0.602 517 HG13 VAL 68 HG13 VAL 68 2.541 8.754 0.078 518 HG21 VAL 68 HG21 VAL 68 4.486 7.415 3.006 519 HG22 VAL 68 HG22 VAL 68 4.671 7.930 1.329 520 HG23 VAL 68 HG23 VAL 68 3.731 6.487 1.710 521 H ALA 69 H ALA 69 5.501 10.505 2.870 522 HA ALA 69 HA ALA 69 5.701 11.926 0.353 523 HB1 ALA 69 HB1 ALA 69 6.748 12.861 2.355 524 HB2 ALA 69 HB2 ALA 69 7.947 12.522 1.108 525 HB3 ALA 69 HB3 ALA 69 7.780 11.436 2.487 526 H SER 70 H SER 70 6.077 10.845 -1.451 527 HA SER 70 HA SER 70 6.982 8.189 -1.565 528 HG SER 70 HG SER 70 6.611 7.702 -4.460 529 HB2 SER 70 HB2 SER 70 5.635 9.187 -3.349 530 HB3 SER 70 HB3 SER 70 6.938 10.314 -3.723 531 HA PRO 71 HA PRO 71 11.348 8.876 -1.007 532 HB2 PRO 71 HB2 PRO 71 12.140 6.360 -1.726 533 HB3 PRO 71 HB3 PRO 71 11.486 6.761 -0.135 534 HG2 PRO 71 HG2 PRO 71 10.132 5.505 -2.483 535 HG3 PRO 71 HG3 PRO 71 9.972 5.125 -0.758 536 HD2 PRO 71 HD2 PRO 71 8.139 6.588 -2.115 537 HD3 PRO 71 HD3 PRO 71 8.481 6.838 -0.391 538 H LEU 72 H LEU 72 9.935 7.519 -3.926 539 HA LEU 72 HA LEU 72 12.347 8.188 -5.446 540 HG LEU 72 HG LEU 72 11.200 5.341 -4.666 541 HB2 LEU 72 HB2 LEU 72 9.899 6.644 -6.306 542 HB3 LEU 72 HB3 LEU 72 11.350 6.881 -7.259 543 HD11 LEU 72 HD11 LEU 72 11.500 4.389 -7.511 544 HD12 LEU 72 HD12 LEU 72 10.067 4.201 -6.501 545 HD13 LEU 72 HD13 LEU 72 11.566 3.378 -6.068 546 HD21 LEU 72 HD21 LEU 72 13.487 4.650 -5.211 547 HD22 LEU 72 HD22 LEU 72 13.372 6.395 -4.980 548 HD23 LEU 72 HD23 LEU 72 13.475 5.726 -6.609 549 H LYS 73 H LYS 73 8.809 8.592 -5.709 550 HA LYS 73 HA LYS 73 9.175 10.494 -7.859 551 HB2 LYS 73 HB2 LYS 73 6.775 9.200 -6.599 552 HB3 LYS 73 HB3 LYS 73 6.585 10.584 -7.665 553 HG2 LYS 73 HG2 LYS 73 6.268 8.501 -8.875 554 HG3 LYS 73 HG3 LYS 73 7.687 9.361 -9.470 555 HD2 LYS 73 HD2 LYS 73 9.096 7.891 -8.025 556 HD3 LYS 73 HD3 LYS 73 7.645 6.972 -7.628 557 HE2 LYS 73 HE2 LYS 73 8.584 7.399 -10.454 558 HE3 LYS 73 HE3 LYS 73 9.114 6.036 -9.470 559 HZ1 LYS 73 HZ1 LYS 73 6.310 6.663 -10.221 560 HZ2 LYS 73 HZ2 LYS 73 6.790 5.374 -9.225 561 HZ3 LYS 73 HZ3 LYS 73 7.259 5.412 -10.852 562 H LYS 74 H LYS 74 8.674 10.573 -4.474 563 HA LYS 74 HA LYS 74 8.919 12.241 -2.980 564 HB2 LYS 74 HB2 LYS 74 10.617 13.138 -4.472 565 HB3 LYS 74 HB3 LYS 74 9.390 14.009 -5.374 566 HG2 LYS 74 HG2 LYS 74 10.683 15.417 -3.809 567 HG3 LYS 74 HG3 LYS 74 8.945 15.447 -3.525 568 HD2 LYS 74 HD2 LYS 74 10.035 15.327 -1.404 569 HD3 LYS 74 HD3 LYS 74 9.278 13.767 -1.713 570 HE2 LYS 74 HE2 LYS 74 12.175 14.285 -2.329 571 HE3 LYS 74 HE3 LYS 74 11.641 13.781 -0.729 572 HZ1 LYS 74 HZ1 LYS 74 10.490 11.887 -2.026 573 HZ2 LYS 74 HZ2 LYS 74 12.151 11.795 -1.728 574 HZ3 LYS 74 HZ3 LYS 74 11.594 12.271 -3.258 575 H GLN 75 H GLN 75 6.579 12.642 -5.518 576 HA GLN 75 HA GLN 75 5.026 14.721 -4.620 577 HB2 GLN 75 HB2 GLN 75 4.226 12.074 -5.816 578 HB3 GLN 75 HB3 GLN 75 3.047 13.330 -5.456 579 HG2 GLN 75 HG2 GLN 75 5.421 13.666 -7.280 580 HG3 GLN 75 HG3 GLN 75 3.775 13.318 -7.809 581 HE21 GLN 75 HE21 GLN 75 5.933 15.699 -6.520 582 HE22 GLN 75 HE22 GLN 75 4.886 17.065 -6.747 583 H HIS 76 H HIS 76 3.279 14.948 -3.158 584 HA HIS 76 HA HIS 76 3.571 13.143 -0.850 585 HD1 HIS 76 HD1 HIS 76 3.817 16.790 1.674 586 HD2 HIS 76 HD2 HIS 76 5.828 14.393 -1.067 587 HE1 HIS 76 HE1 HIS 76 6.248 16.970 2.273 588 HE2 HIS 76 HE2 HIS 76 7.460 15.645 0.506 589 HB2 HIS 76 HB2 HIS 76 2.712 16.013 -1.101 590 HB3 HIS 76 HB3 HIS 76 2.301 15.074 0.329 591 H PHE 77 H PHE 77 2.145 11.547 -0.922 592 HA PHE 77 HA PHE 77 -0.515 12.002 -2.018 593 HD1 PHE 77 HD1 PHE 77 2.863 9.835 -1.964 594 HD2 PHE 77 HD2 PHE 77 -0.779 9.569 -4.152 595 HE1 PHE 77 HE1 PHE 77 4.137 9.373 -4.016 596 HE2 PHE 77 HE2 PHE 77 0.490 9.107 -6.208 597 HZ PHE 77 HZ PHE 77 2.949 9.007 -6.143 598 HB2 PHE 77 HB2 PHE 77 0.668 9.468 -0.861 599 HB3 PHE 77 HB3 PHE 77 -0.815 9.594 -1.793 600 H ARG 78 H ARG 78 -2.145 12.655 -0.705 601 HA ARG 78 HA ARG 78 -2.000 12.259 2.145 602 HE ARG 78 HE ARG 78 -6.367 14.181 1.097 603 HB2 ARG 78 HB2 ARG 78 -3.218 14.191 1.064 604 HB3 ARG 78 HB3 ARG 78 -4.442 13.044 0.533 605 HG2 ARG 78 HG2 ARG 78 -5.122 12.589 2.738 606 HG3 ARG 78 HG3 ARG 78 -3.683 13.347 3.421 607 HD2 ARG 78 HD2 ARG 78 -5.497 14.843 3.767 608 HD3 ARG 78 HD3 ARG 78 -4.507 15.522 2.481 609 HH11 ARG 78 HH11 ARG 78 -6.605 16.430 3.759 610 HH12 ARG 78 HH12 ARG 78 -8.176 17.005 3.311 611 HH21 ARG 78 HH21 ARG 78 -8.442 14.952 0.465 612 HH22 ARG 78 HH22 ARG 78 -9.211 16.195 1.425 613 H LEU 79 H LEU 79 -2.670 10.520 3.249 614 HA LEU 79 HA LEU 79 -2.642 8.116 1.911 615 HG LEU 79 HG LEU 79 -1.378 9.372 4.526 616 HB2 LEU 79 HB2 LEU 79 -3.696 8.676 4.674 617 HB3 LEU 79 HB3 LEU 79 -3.292 7.086 4.056 618 HD11 LEU 79 HD11 LEU 79 -1.643 6.673 5.841 619 HD12 LEU 79 HD12 LEU 79 -2.079 8.225 6.557 620 HD13 LEU 79 HD13 LEU 79 -0.392 7.871 6.181 621 HD21 LEU 79 HD21 LEU 79 -0.777 8.115 2.510 622 HD22 LEU 79 HD22 LEU 79 -0.819 6.616 3.439 623 HD23 LEU 79 HD23 LEU 79 0.379 7.853 3.816 624 H TYR 80 H TYR 80 -5.538 9.694 3.285 625 HA TYR 80 HA TYR 80 -7.170 7.493 2.294 626 HD1 TYR 80 HD2 TYR 80 -8.840 6.337 3.932 627 HD2 TYR 80 HD1 TYR 80 -10.285 10.296 3.339 628 HE1 TYR 80 HE2 TYR 80 -11.144 5.476 3.852 629 HE2 TYR 80 HE1 TYR 80 -12.590 9.448 3.258 630 HH TYR 80 HH TYR 80 -13.439 6.305 4.226 631 HB2 TYR 80 HB2 TYR 80 -7.507 8.491 4.565 632 HB3 TYR 80 HB3 TYR 80 -8.030 9.980 3.790 633 H ASP 81 H ASP 81 -5.924 10.178 0.897 634 HA ASP 81 HA ASP 81 -8.392 10.876 -0.543 635 HB2 ASP 81 HB2 ASP 81 -7.018 12.685 0.617 636 HB3 ASP 81 HB3 ASP 81 -5.806 12.420 -0.633 637 H GLY 82 H GLY 82 -4.905 10.606 -1.251 638 HA2 GLY 82 HA2 GLY 82 -4.146 8.977 -2.872 639 HA3 GLY 82 HA3 GLY 82 -5.659 9.203 -3.731 640 H PHE 83 H PHE 83 -5.245 12.241 -3.224 641 HA PHE 83 HA PHE 83 -3.975 12.662 -5.763 642 HD1 PHE 83 HD1 PHE 83 -5.229 14.006 -2.077 643 HD2 PHE 83 HD2 PHE 83 -3.929 16.819 -4.992 644 HE1 PHE 83 HE1 PHE 83 -4.792 15.649 -0.296 645 HE2 PHE 83 HE2 PHE 83 -3.484 18.458 -3.221 646 HZ PHE 83 HZ PHE 83 -3.914 17.879 -0.871 647 HB2 PHE 83 HB2 PHE 83 -4.769 14.832 -5.694 648 HB3 PHE 83 HB3 PHE 83 -5.930 14.013 -4.662 649 H CYS 84 H CYS 84 -2.194 14.237 -6.076 650 HA CYS 84 HA CYS 84 -0.103 13.565 -4.121 651 HG CYS 84 HG CYS 84 -0.938 11.453 -5.829 652 HB2 CYS 84 HB2 CYS 84 0.314 14.280 -7.018 653 HB3 CYS 84 HB3 CYS 84 1.444 13.492 -5.921 654 H LEU 85 H LEU 85 -0.235 15.375 -2.813 655 HA LEU 85 HA LEU 85 0.484 17.374 -2.041 656 HG LEU 85 HG LEU 85 2.068 19.657 -3.543 657 HB2 LEU 85 HB2 LEU 85 2.570 16.705 -3.128 658 HB3 LEU 85 HB3 LEU 85 2.033 17.442 -4.624 659 HD11 LEU 85 HD11 LEU 85 3.221 18.171 -1.183 660 HD12 LEU 85 HD12 LEU 85 1.634 18.939 -1.245 661 HD13 LEU 85 HD13 LEU 85 3.094 19.923 -1.348 662 HD21 LEU 85 HD21 LEU 85 4.027 18.856 -4.757 663 HD22 LEU 85 HD22 LEU 85 4.643 18.109 -3.283 664 HD23 LEU 85 HD23 LEU 85 4.495 19.864 -3.386 665 H GLU 86 H GLU 86 0.518 18.253 -5.467 666 HA GLU 86 HA GLU 86 -1.756 20.058 -4.953 667 HB2 GLU 86 HB2 GLU 86 0.782 21.011 -5.166 668 HB3 GLU 86 HB3 GLU 86 0.295 21.031 -6.852 669 HG2 GLU 86 HG2 GLU 86 -1.128 22.405 -4.583 670 HG3 GLU 86 HG3 GLU 86 -0.095 23.176 -5.781 671 H ASP 87 H ASP 87 0.356 18.766 -7.523 672 HA ASP 87 HA ASP 87 -1.958 18.728 -9.335 673 HB2 ASP 87 HB2 ASP 87 -0.012 19.898 -10.202 674 HB3 ASP 87 HB3 ASP 87 1.009 18.495 -9.901 675 H GLY 88 H GLY 88 -3.017 16.901 -9.463 676 HA2 GLY 88 HA2 GLY 88 -1.858 14.431 -8.514 677 HA3 GLY 88 HA3 GLY 88 -3.521 14.681 -9.022 678 H ALA 89 H ALA 89 -0.237 14.579 -10.393 679 HA ALA 89 HA ALA 89 -1.315 13.486 -12.882 680 HB1 ALA 89 HB1 ALA 89 0.355 15.264 -13.032 681 HB2 ALA 89 HB2 ALA 89 0.951 13.770 -13.754 682 HB3 ALA 89 HB3 ALA 89 1.510 14.261 -12.154 683 H TYR 90 H TYR 90 -0.748 12.187 -10.049 684 HA TYR 90 HA TYR 90 0.001 9.599 -11.116 685 HD1 TYR 90 HD2 TYR 90 1.576 8.292 -11.650 686 HD2 TYR 90 HD1 TYR 90 3.004 9.261 -7.764 687 HE1 TYR 90 HE2 TYR 90 2.655 6.086 -11.503 688 HE2 TYR 90 HE1 TYR 90 4.091 7.063 -7.609 689 HH TYR 90 HH TYR 90 3.816 4.796 -8.628 690 HB2 TYR 90 HB2 TYR 90 2.134 10.883 -10.516 691 HB3 TYR 90 HB3 TYR 90 1.614 10.759 -8.840 692 H SER 91 H SER 91 -2.333 10.826 -9.905 693 HA SER 91 HA SER 91 -2.595 10.220 -7.171 694 HG SER 91 HG SER 91 -4.780 12.664 -8.396 695 HB2 SER 91 HB2 SER 91 -4.813 10.390 -9.219 696 HB3 SER 91 HB3 SER 91 -4.939 10.666 -7.481 697 H VAL 92 H VAL 92 -3.428 8.469 -6.098 698 HA VAL 92 HA VAL 92 -3.568 5.987 -7.666 699 HB VAL 92 HB VAL 92 -3.171 4.812 -5.526 700 HG11 VAL 92 HG11 VAL 92 -1.300 5.362 -6.981 701 HG12 VAL 92 HG12 VAL 92 -0.818 5.457 -5.287 702 HG13 VAL 92 HG13 VAL 92 -1.133 6.933 -6.201 703 HG21 VAL 92 HG21 VAL 92 -4.130 6.474 -4.006 704 HG22 VAL 92 HG22 VAL 92 -2.819 7.589 -4.387 705 HG23 VAL 92 HG23 VAL 92 -2.473 6.077 -3.549 706 H ALA 93 H ALA 93 -4.951 4.275 -6.211 707 HA ALA 93 HA ALA 93 -7.636 5.464 -6.219 708 HB1 ALA 93 HB1 ALA 93 -7.177 3.574 -7.757 709 HB2 ALA 93 HB2 ALA 93 -8.484 3.249 -6.618 710 HB3 ALA 93 HB3 ALA 93 -6.887 2.549 -6.352 711 H ALA 94 H ALA 94 -8.860 5.539 -4.440 712 HA ALA 94 HA ALA 94 -7.808 4.283 -2.002 713 HB1 ALA 94 HB1 ALA 94 -9.264 6.919 -2.227 714 HB2 ALA 94 HB2 ALA 94 -7.532 6.720 -1.965 715 HB3 ALA 94 HB3 ALA 94 -8.678 6.180 -0.738 716 H TYR 95 H TYR 95 -9.048 2.574 -1.694 717 HA TYR 95 HA TYR 95 -11.939 2.743 -2.073 718 HD1 TYR 95 HD2 TYR 95 -12.916 0.526 -3.836 719 HD2 TYR 95 HD1 TYR 95 -8.691 0.684 -3.371 720 HE1 TYR 95 HE2 TYR 95 -12.639 0.200 -6.256 721 HE2 TYR 95 HE1 TYR 95 -8.406 0.363 -5.791 722 HH TYR 95 HH TYR 95 -9.632 -0.549 -7.689 723 HB2 TYR 95 HB2 TYR 95 -10.137 0.392 -1.449 724 HB3 TYR 95 HB3 TYR 95 -11.883 0.282 -1.634 725 H ASP 96 H ASP 96 -13.368 1.931 -0.355 726 HA ASP 96 HA ASP 96 -12.559 3.084 2.174 727 HB2 ASP 96 HB2 ASP 96 -14.819 3.487 1.185 728 HB3 ASP 96 HB3 ASP 96 -15.195 1.787 1.456 729 H THR 97 H THR 97 -12.756 2.002 4.206 730 HA THR 97 HA THR 97 -12.282 -0.905 4.061 731 HB THR 97 HB THR 97 -10.394 -0.555 5.703 732 HG1 THR 97 HG1 THR 97 -11.188 1.802 5.958 733 HG21 THR 97 HG21 THR 97 -9.935 -1.053 3.372 734 HG22 THR 97 HG22 THR 97 -8.755 0.101 3.994 735 HG23 THR 97 HG23 THR 97 -10.071 0.656 2.959 736 H GLN 98 H GLN 98 -12.755 -2.046 5.970 737 HA GLN 98 HA GLN 98 -13.671 -0.482 8.279 738 HB2 GLN 98 HB2 GLN 98 -15.563 -1.931 8.670 739 HB3 GLN 98 HB3 GLN 98 -15.685 -1.254 7.054 740 HG2 GLN 98 HG2 GLN 98 -15.164 -3.286 6.031 741 HG3 GLN 98 HG3 GLN 98 -14.501 -3.963 7.517 742 HE21 GLN 98 HE21 GLN 98 -16.711 -2.992 9.155 743 HE22 GLN 98 HE22 GLN 98 -18.053 -4.030 8.802 744 H VAL 99 H VAL 99 -13.585 -1.677 10.299 745 HA VAL 99 HA VAL 99 -11.657 -3.913 10.196 746 HB VAL 99 HB VAL 99 -12.055 -1.943 12.461 747 HG11 VAL 99 HG11 VAL 99 -11.317 -4.132 13.223 748 HG12 VAL 99 HG12 VAL 99 -10.022 -2.946 13.388 749 HG13 VAL 99 HG13 VAL 99 -9.992 -4.106 12.060 750 HG21 VAL 99 HG21 VAL 99 -9.879 -1.032 11.845 751 HG22 VAL 99 HG22 VAL 99 -11.038 -0.860 10.525 752 HG23 VAL 99 HG23 VAL 99 -9.807 -2.122 10.460 753 H THR 100 H THR 100 -12.752 -5.745 10.484 754 HA THR 100 HA THR 100 -15.225 -5.824 11.905 755 HB THR 100 HB THR 100 -15.134 -7.311 10.097 756 HG1 THR 100 HG1 THR 100 -15.741 -9.151 11.068 757 HG21 THR 100 HG21 THR 100 -12.735 -7.448 9.777 758 HG22 THR 100 HG22 THR 100 -13.428 -9.069 9.836 759 HG23 THR 100 HG23 THR 100 -12.570 -8.425 11.236 760 H ASN 101 H ASN 101 -12.477 -7.967 12.486 761 HA ASN 101 HA ASN 101 -12.429 -7.194 15.294 762 HB2 ASN 101 HB2 ASN 101 -12.961 -10.012 14.341 763 HB3 ASN 101 HB3 ASN 101 -12.313 -9.665 15.940 764 HD21 ASN 101 HD21 ASN 101 -15.082 -9.618 13.905 765 HD22 ASN 101 HD22 ASN 101 -16.234 -9.194 15.122 766 H GLY 102 H GLY 102 -10.433 -6.281 14.835 767 HA2 GLY 102 HA2 GLY 102 -8.131 -6.332 14.933 768 HA3 GLY 102 HA3 GLY 102 -8.222 -8.079 15.086 769 H ASN 103 H ASN 103 -9.953 -7.350 12.411 770 HA ASN 103 HA ASN 103 -7.612 -7.548 10.646 771 HB2 ASN 103 HB2 ASN 103 -10.197 -9.110 10.488 772 HB3 ASN 103 HB3 ASN 103 -9.044 -9.014 9.163 773 HD21 ASN 103 HD21 ASN 103 -9.981 -11.309 10.755 774 HD22 ASN 103 HD22 ASN 103 -8.551 -12.034 11.404 775 H VAL 104 H VAL 104 -7.721 -6.418 8.737 776 HA VAL 104 HA VAL 104 -9.864 -4.418 8.642 777 HB VAL 104 HB VAL 104 -7.186 -4.371 7.237 778 HG11 VAL 104 HG11 VAL 104 -7.669 -1.996 6.891 779 HG12 VAL 104 HG12 VAL 104 -9.237 -2.195 7.671 780 HG13 VAL 104 HG13 VAL 104 -8.903 -3.010 6.143 781 HG21 VAL 104 HG21 VAL 104 -6.511 -2.756 8.949 782 HG22 VAL 104 HG22 VAL 104 -6.895 -4.324 9.659 783 HG23 VAL 104 HG23 VAL 104 -8.047 -2.994 9.782 784 H GLN 105 H GLN 105 -11.229 -4.266 6.963 785 HA GLN 105 HA GLN 105 -10.753 -6.019 4.640 786 HB2 GLN 105 HB2 GLN 105 -13.472 -5.340 5.758 787 HB3 GLN 105 HB3 GLN 105 -13.073 -6.564 4.561 788 HG2 GLN 105 HG2 GLN 105 -11.810 -7.784 6.325 789 HG3 GLN 105 HG3 GLN 105 -12.415 -6.610 7.494 790 HE21 GLN 105 HE21 GLN 105 -13.163 -9.329 5.525 791 HE22 GLN 105 HE22 GLN 105 -14.754 -9.610 6.142 792 H ILE 106 H ILE 106 -11.544 -5.233 2.631 793 HA ILE 106 HA ILE 106 -12.226 -2.372 2.611 794 HB ILE 106 HB ILE 106 -10.975 -1.979 0.649 795 HG12 ILE 106 HG12 ILE 106 -11.563 -4.115 -0.511 796 HG13 ILE 106 HG13 ILE 106 -9.882 -3.640 -0.706 797 HG21 ILE 106 HG21 ILE 106 -9.600 -2.027 2.633 798 HG22 ILE 106 HG22 ILE 106 -8.682 -2.614 1.246 799 HG23 ILE 106 HG23 ILE 106 -9.321 -3.756 2.428 800 HD11 ILE 106 HD11 ILE 106 -10.106 -6.028 -0.362 801 HD12 ILE 106 HD12 ILE 106 -10.914 -5.744 1.180 802 HD13 ILE 106 HD13 ILE 106 -9.225 -5.280 0.970 803 H SER 107 H SER 107 -13.603 -1.675 0.899 804 HA SER 107 HA SER 107 -15.500 -3.689 0.043 805 HG SER 107 HG SER 107 -17.027 -2.375 -1.637 806 HB2 SER 107 HB2 SER 107 -16.096 -1.319 0.819 807 HB3 SER 107 HB3 SER 107 -15.469 -0.763 -0.729 808 H ILE 108 H ILE 108 -14.747 -4.966 -1.588 809 HA ILE 108 HA ILE 108 -12.834 -3.912 -3.456 810 HB ILE 108 HB ILE 108 -12.871 -6.192 -4.479 811 HG12 ILE 108 HG12 ILE 108 -14.522 -6.974 -2.076 812 HG13 ILE 108 HG13 ILE 108 -15.220 -6.722 -3.673 813 HG21 ILE 108 HG21 ILE 108 -11.686 -7.243 -2.612 814 HG22 ILE 108 HG22 ILE 108 -12.315 -6.005 -1.526 815 HG23 ILE 108 HG23 ILE 108 -11.218 -5.557 -2.832 816 HD11 ILE 108 HD11 ILE 108 -13.102 -8.744 -2.982 817 HD12 ILE 108 HD12 ILE 108 -13.812 -8.487 -4.575 818 HD13 ILE 108 HD13 ILE 108 -14.814 -9.077 -3.250 819 H ALA 109 H ALA 109 -14.074 -2.327 -4.494 820 HA ALA 109 HA ALA 109 -15.911 -3.358 -6.527 821 HB1 ALA 109 HB1 ALA 109 -16.596 -1.311 -5.355 822 HB2 ALA 109 HB2 ALA 109 -16.338 -1.008 -7.072 823 HB3 ALA 109 HB3 ALA 109 -15.123 -0.508 -5.895 824 H ASP 110 H ASP 110 -14.573 -4.432 -7.946 825 HA ASP 110 HA ASP 110 -11.963 -3.583 -8.574 826 HB2 ASP 110 HB2 ASP 110 -12.038 -5.254 -10.398 827 HB3 ASP 110 HB3 ASP 110 -12.555 -5.900 -8.849 828 H SER 111 H SER 111 -11.230 -2.102 -9.863 829 HA SER 111 HA SER 111 -13.141 -0.740 -11.633 830 HG SER 111 HG SER 111 -11.604 0.305 -8.751 831 HB2 SER 111 HB2 SER 111 -10.509 0.321 -10.577 832 HB3 SER 111 HB3 SER 111 -11.793 1.240 -11.366 833 H ASP 112 H ASP 112 -9.677 -1.583 -11.483 834 HA ASP 112 HA ASP 112 -9.782 -2.185 -14.354 835 HB2 ASP 112 HB2 ASP 112 -8.807 0.119 -13.937 836 HB3 ASP 112 HB3 ASP 112 -7.494 -0.673 -13.074 837 H VAL 113 H VAL 113 -9.397 -4.289 -14.413 838 HA VAL 113 HA VAL 113 -7.450 -5.441 -12.527 839 HB VAL 113 HB VAL 113 -9.504 -6.887 -14.198 840 HG11 VAL 113 HG11 VAL 113 -7.607 -8.277 -13.588 841 HG12 VAL 113 HG12 VAL 113 -9.051 -8.773 -12.707 842 HG13 VAL 113 HG13 VAL 113 -7.806 -7.826 -11.893 843 HG21 VAL 113 HG21 VAL 113 -10.594 -5.423 -12.575 844 HG22 VAL 113 HG22 VAL 113 -9.623 -6.126 -11.281 845 HG23 VAL 113 HG23 VAL 113 -10.802 -7.118 -12.138 846 H ALA 114 H ALA 114 -5.586 -6.226 -13.238 847 HA ALA 114 HA ALA 114 -5.204 -6.501 -16.146 848 HB1 ALA 114 HB1 ALA 114 -3.151 -5.691 -14.086 849 HB2 ALA 114 HB2 ALA 114 -3.970 -4.595 -15.198 850 HB3 ALA 114 HB3 ALA 114 -2.880 -5.833 -15.824 851 H VAL 115 H VAL 115 -3.390 -8.010 -16.722 852 HA VAL 115 HA VAL 115 -3.769 -10.485 -15.249 853 HB VAL 115 HB VAL 115 -3.859 -10.436 -17.739 854 HG11 VAL 115 HG11 VAL 115 -0.889 -9.972 -17.559 855 HG12 VAL 115 HG12 VAL 115 -2.085 -8.813 -18.139 856 HG13 VAL 115 HG13 VAL 115 -1.805 -10.309 -19.029 857 HG21 VAL 115 HG21 VAL 115 -2.483 -12.457 -18.088 858 HG22 VAL 115 HG22 VAL 115 -3.470 -12.532 -16.629 859 HG23 VAL 115 HG23 VAL 115 -1.744 -12.194 -16.508 860 H ASP 116 H ASP 116 -2.083 -11.728 -14.346 861 HA ASP 116 HA ASP 116 -0.113 -10.213 -12.992 862 HB2 ASP 116 HB2 ASP 116 -1.115 -12.262 -12.044 863 HB3 ASP 116 HB3 ASP 116 -0.305 -13.219 -13.282 864 H ASN 117 H ASN 117 2.159 -10.345 -13.146 865 HA ASN 117 HA ASN 117 2.983 -10.330 -15.931 866 HB2 ASN 117 HB2 ASN 117 4.978 -9.180 -15.146 867 HB3 ASN 117 HB3 ASN 117 3.552 -8.435 -14.432 868 HD21 ASN 117 HD21 ASN 117 3.201 -8.609 -12.236 869 HD22 ASN 117 HD22 ASN 117 4.406 -9.183 -11.140 870 H SER 118 H SER 118 4.705 -11.497 -16.780 871 HA SER 118 HA SER 118 5.564 -13.793 -15.157 872 HG SER 118 HG SER 118 5.571 -16.004 -17.074 873 HB2 SER 118 HB2 SER 118 4.403 -14.282 -17.342 874 HB3 SER 118 HB3 SER 118 5.753 -13.502 -18.166 875 H GLN 119 H GLN 119 6.990 -12.275 -14.098 876 HA GLN 119 HA GLN 119 9.300 -11.399 -15.662 877 HB2 GLN 119 HB2 GLN 119 7.896 -10.387 -13.377 878 HB3 GLN 119 HB3 GLN 119 9.566 -10.691 -12.927 879 HG2 GLN 119 HG2 GLN 119 9.407 -8.435 -13.632 880 HG3 GLN 119 HG3 GLN 119 10.269 -9.322 -14.886 881 HE21 GLN 119 HE21 GLN 119 8.792 -6.802 -14.996 882 HE22 GLN 119 HE22 GLN 119 7.604 -7.007 -16.239 883 HA PRO 120 HA PRO 120 11.813 -14.746 -14.190 884 HB2 PRO 120 HB2 PRO 120 14.067 -12.843 -14.264 885 HB3 PRO 120 HB3 PRO 120 13.844 -14.347 -15.160 886 HG2 PRO 120 HG2 PRO 120 13.673 -11.948 -16.357 887 HG3 PRO 120 HG3 PRO 120 12.662 -13.317 -16.855 888 HD2 PRO 120 HD2 PRO 120 11.948 -10.940 -15.187 889 HD3 PRO 120 HD3 PRO 120 10.989 -11.784 -16.421 890 H LEU 121 H LEU 121 11.892 -15.365 -12.130 891 HA LEU 121 HA LEU 121 11.690 -13.570 -9.963 892 HG LEU 121 HG LEU 121 10.114 -16.119 -10.849 893 HB2 LEU 121 HB2 LEU 121 12.390 -16.507 -10.013 894 HB3 LEU 121 HB3 LEU 121 12.018 -15.599 -8.561 895 HD11 LEU 121 HD11 LEU 121 10.564 -18.102 -9.513 896 HD12 LEU 121 HD12 LEU 121 8.931 -17.504 -9.220 897 HD13 LEU 121 HD13 LEU 121 10.205 -17.203 -8.038 898 HD21 LEU 121 HD21 LEU 121 9.717 -13.949 -9.793 899 HD22 LEU 121 HD22 LEU 121 9.671 -14.726 -8.210 900 HD23 LEU 121 HD23 LEU 121 8.431 -15.092 -9.409 901 HA PRO 122 HA PRO 122 15.752 -12.472 -8.600 902 HB2 PRO 122 HB2 PRO 122 15.198 -14.063 -6.134 903 HB3 PRO 122 HB3 PRO 122 15.812 -12.413 -6.292 904 HG2 PRO 122 HG2 PRO 122 13.279 -12.847 -5.625 905 HG3 PRO 122 HG3 PRO 122 13.708 -11.536 -6.741 906 HD2 PRO 122 HD2 PRO 122 12.464 -14.183 -7.311 907 HD3 PRO 122 HD3 PRO 122 12.213 -12.620 -8.112 908 H LEU 123 H LEU 123 17.567 -13.328 -9.308 909 HA LEU 123 HA LEU 123 17.921 -16.228 -9.259 910 HG LEU 123 HG LEU 123 20.820 -16.147 -10.406 911 HB2 LEU 123 HB2 LEU 123 18.190 -15.041 -11.402 912 HB3 LEU 123 HB3 LEU 123 19.477 -14.079 -10.703 913 HD11 LEU 123 HD11 LEU 123 20.127 -18.181 -11.583 914 HD12 LEU 123 HD12 LEU 123 18.572 -17.432 -11.947 915 HD13 LEU 123 HD13 LEU 123 19.021 -17.766 -10.275 916 HD21 LEU 123 HD21 LEU 123 21.358 -16.431 -12.775 917 HD22 LEU 123 HD22 LEU 123 21.142 -14.732 -12.353 918 HD23 LEU 123 HD23 LEU 123 19.867 -15.597 -13.211 919 H GLU 124 H GLU 124 19.341 -17.195 -7.951 920 HA GLU 124 HA GLU 124 20.652 -15.721 -5.911 921 HB2 GLU 124 HB2 GLU 124 20.839 -18.622 -6.722 922 HB3 GLU 124 HB3 GLU 124 21.679 -17.955 -5.332 923 HG2 GLU 124 HG2 GLU 124 19.726 -18.997 -4.524 924 HG3 GLU 124 HG3 GLU 124 19.446 -17.261 -4.434 925 H HIS 125 H HIS 125 22.684 -15.014 -5.732 926 HA HIS 125 HA HIS 125 24.465 -15.241 -8.011 927 HD1 HIS 125 HD1 HIS 125 26.047 -11.751 -7.898 928 HD2 HIS 125 HD2 HIS 125 22.163 -12.781 -6.815 929 HE1 HIS 125 HE1 HIS 125 24.572 -9.945 -8.845 930 HE2 HIS 125 HE2 HIS 125 22.221 -10.627 -8.246 931 HB2 HIS 125 HB2 HIS 125 24.697 -13.778 -5.375 932 HB3 HIS 125 HB3 HIS 125 25.992 -13.816 -6.564 933 H HIS 126 H HIS 126 25.240 -17.317 -8.099 934 HA HIS 126 HA HIS 126 26.102 -18.726 -5.781 935 HD1 HIS 126 HD1 HIS 126 28.642 -19.625 -9.406 936 HD2 HIS 126 HD2 HIS 126 24.599 -18.791 -9.941 937 HE1 HIS 126 HE1 HIS 126 28.373 -19.065 -11.847 938 HE2 HIS 126 HE2 HIS 126 25.960 -18.395 -12.102 939 HB2 HIS 126 HB2 HIS 126 27.163 -20.324 -7.436 940 HB3 HIS 126 HB3 HIS 126 25.429 -20.100 -7.588 941 H HIS 127 H HIS 127 27.968 -18.752 -4.775 942 HA HIS 127 HA HIS 127 29.719 -16.618 -5.022 943 HD1 HIS 127 HD1 HIS 127 32.250 -19.804 -2.607 944 HD2 HIS 127 HD2 HIS 127 28.507 -20.576 -4.258 945 HE1 HIS 127 HE1 HIS 127 32.012 -22.309 -2.615 946 HE2 HIS 127 HE2 HIS 127 29.658 -22.735 -3.425 947 HB2 HIS 127 HB2 HIS 127 31.129 -17.735 -3.366 948 HB3 HIS 127 HB3 HIS 127 29.431 -17.858 -2.928 949 H HIS 128 H HIS 128 31.472 -16.198 -6.147 950 HA HIS 128 HA HIS 128 32.521 -18.257 -7.957 951 HD1 HIS 128 HD1 HIS 128 30.638 -14.466 -7.912 952 HD2 HIS 128 HD2 HIS 128 31.485 -17.176 -10.951 953 HE1 HIS 128 HE1 HIS 128 28.682 -14.350 -9.485 954 HE2 HIS 128 HE2 HIS 128 29.237 -15.951 -11.355 955 HB2 HIS 128 HB2 HIS 128 33.065 -15.274 -7.936 956 HB3 HIS 128 HB3 HIS 128 33.543 -16.414 -9.188 957 H HIS 129 H HIS 129 34.325 -19.264 -7.394 958 HA HIS 129 HA HIS 129 36.361 -19.750 -6.511 959 HD1 HIS 129 HD1 HIS 129 38.162 -16.726 -4.046 960 HD2 HIS 129 HD2 HIS 129 39.433 -19.257 -7.090 961 HE1 HIS 129 HE1 HIS 129 40.503 -17.401 -3.432 962 HE2 HIS 129 HE2 HIS 129 41.268 -18.916 -5.297 963 HB2 HIS 129 HB2 HIS 129 37.125 -17.616 -7.471 964 HB3 HIS 129 HB3 HIS 129 36.590 -16.767 -6.028 965 H HIS 130 H HIS 130 37.229 -20.336 -4.527 966 HA HIS 130 HA HIS 130 35.594 -19.715 -2.191 967 HD1 HIS 130 HD1 HIS 130 34.928 -22.727 -0.702 968 HD2 HIS 130 HD2 HIS 130 36.201 -22.812 -4.657 969 HE1 HIS 130 HE1 HIS 130 33.478 -24.432 -1.841 970 HE2 HIS 130 HE2 HIS 130 34.380 -24.589 -4.194 971 HB2 HIS 130 HB2 HIS 130 37.876 -21.666 -2.582 972 HB3 HIS 130 HB3 HIS 130 37.032 -21.430 -1.058 Start of MODEL 2 1 HA MET 1 HA MET 1 -19.673 -6.155 3.613 2 H1 MET 1 H1 MET 1 -22.100 -5.655 3.766 3 H2 MET 1 H2 MET 1 -21.213 -5.473 5.196 4 H3 MET 1 H3 MET 1 -22.195 -6.839 4.979 5 HB2 MET 1 HB2 MET 1 -20.595 -8.453 5.332 6 HB3 MET 1 HB3 MET 1 -19.142 -8.538 4.349 7 HG2 MET 1 HG2 MET 1 -18.148 -6.727 5.568 8 HG3 MET 1 HG3 MET 1 -19.640 -6.468 6.472 9 HE1 MET 1 HE1 MET 1 -17.191 -10.369 6.882 10 HE2 MET 1 HE2 MET 1 -16.768 -9.102 5.730 11 HE3 MET 1 HE3 MET 1 -18.263 -10.015 5.526 12 H SER 2 H SER 2 -20.825 -5.921 1.593 13 HA SER 2 HA SER 2 -21.655 -8.481 0.427 14 HG SER 2 HG SER 2 -23.068 -8.148 -1.503 15 HB2 SER 2 HB2 SER 2 -23.165 -6.520 0.142 16 HB3 SER 2 HB3 SER 2 -21.877 -5.681 -0.721 17 H GLN 3 H GLN 3 -19.556 -5.687 -0.263 18 HA GLN 3 HA GLN 3 -17.972 -7.410 -2.043 19 HB2 GLN 3 HB2 GLN 3 -18.230 -4.400 -1.960 20 HB3 GLN 3 HB3 GLN 3 -17.119 -5.271 -3.007 21 HG2 GLN 3 HG2 GLN 3 -19.025 -6.393 -4.071 22 HG3 GLN 3 HG3 GLN 3 -20.121 -5.461 -3.052 23 HE21 GLN 3 HE21 GLN 3 -20.395 -3.270 -3.443 24 HE22 GLN 3 HE22 GLN 3 -19.874 -2.517 -4.917 25 H TRP 4 H TRP 4 -17.813 -7.101 0.936 26 HA TRP 4 HA TRP 4 -15.148 -5.941 1.265 27 HD1 TRP 4 HD1 TRP 4 -19.034 -5.279 2.811 28 HE1 TRP 4 HE1 TRP 4 -19.204 -2.727 3.095 29 HE3 TRP 4 HE3 TRP 4 -14.085 -4.220 3.491 30 HZ2 TRP 4 HZ2 TRP 4 -17.464 -0.555 3.548 31 HZ3 TRP 4 HZ3 TRP 4 -13.420 -1.880 3.845 32 HH2 TRP 4 HH2 TRP 4 -15.076 -0.084 3.872 33 HB2 TRP 4 HB2 TRP 4 -17.125 -7.018 3.288 34 HB3 TRP 4 HB3 TRP 4 -15.530 -6.395 3.695 35 H THR 5 H THR 5 -13.462 -7.216 0.959 36 HA THR 5 HA THR 5 -13.775 -10.107 1.403 37 HB THR 5 HB THR 5 -11.591 -8.683 -0.125 38 HG1 THR 5 HG1 THR 5 -14.149 -9.517 -0.834 39 HG21 THR 5 HG21 THR 5 -10.963 -10.908 0.711 40 HG22 THR 5 HG22 THR 5 -11.117 -10.899 -1.046 41 HG23 THR 5 HG23 THR 5 -12.399 -11.593 -0.055 42 H THR 6 H THR 6 -12.757 -11.066 3.040 43 HA THR 6 HA THR 6 -11.213 -9.582 4.911 44 HB THR 6 HB THR 6 -11.325 -12.595 4.726 45 HG1 THR 6 HG1 THR 6 -13.247 -10.838 5.923 46 HG21 THR 6 HG21 THR 6 -11.092 -10.703 7.069 47 HG22 THR 6 HG22 THR 6 -9.783 -11.665 6.383 48 HG23 THR 6 HG23 THR 6 -11.144 -12.463 7.170 49 H VAL 7 H VAL 7 -9.147 -8.976 4.613 50 HA VAL 7 HA VAL 7 -7.495 -10.380 2.679 51 HB VAL 7 HB VAL 7 -6.767 -7.973 4.353 52 HG11 VAL 7 HG11 VAL 7 -4.836 -9.083 3.428 53 HG12 VAL 7 HG12 VAL 7 -5.116 -7.570 2.565 54 HG13 VAL 7 HG13 VAL 7 -5.575 -9.106 1.828 55 HG21 VAL 7 HG21 VAL 7 -7.975 -8.076 1.592 56 HG22 VAL 7 HG22 VAL 7 -7.347 -6.628 2.377 57 HG23 VAL 7 HG23 VAL 7 -8.747 -7.460 3.052 58 H CYS 8 H CYS 8 -6.570 -9.037 5.831 59 HA CYS 8 HA CYS 8 -5.551 -11.623 6.706 60 HG CYS 8 HG CYS 8 -1.992 -10.772 4.849 61 HB2 CYS 8 HB2 CYS 8 -3.777 -9.180 6.454 62 HB3 CYS 8 HB3 CYS 8 -3.316 -10.703 7.200 63 H LYS 9 H LYS 9 -4.576 -11.363 8.976 64 HA LYS 9 HA LYS 9 -6.347 -9.712 10.571 65 HB2 LYS 9 HB2 LYS 9 -4.095 -11.550 11.409 66 HB3 LYS 9 HB3 LYS 9 -5.217 -10.753 12.503 67 HG2 LYS 9 HG2 LYS 9 -7.073 -11.991 11.400 68 HG3 LYS 9 HG3 LYS 9 -5.860 -12.873 10.467 69 HD2 LYS 9 HD2 LYS 9 -6.514 -14.180 12.399 70 HD3 LYS 9 HD3 LYS 9 -4.841 -13.647 12.578 71 HE2 LYS 9 HE2 LYS 9 -5.681 -11.743 13.956 72 HE3 LYS 9 HE3 LYS 9 -7.282 -12.478 13.902 73 HZ1 LYS 9 HZ1 LYS 9 -6.096 -13.055 15.923 74 HZ2 LYS 9 HZ2 LYS 9 -4.837 -13.738 15.019 75 HZ3 LYS 9 HZ3 LYS 9 -6.381 -14.436 14.985 76 H LEU 10 H LEU 10 -5.758 -7.971 11.810 77 HA LEU 10 HA LEU 10 -3.575 -6.422 10.832 78 HG LEU 10 HG LEU 10 -3.404 -4.516 13.378 79 HB2 LEU 10 HB2 LEU 10 -5.671 -5.416 11.598 80 HB3 LEU 10 HB3 LEU 10 -5.357 -5.983 13.227 81 HD11 LEU 10 HD11 LEU 10 -2.755 -4.521 11.030 82 HD12 LEU 10 HD12 LEU 10 -2.957 -2.873 11.627 83 HD13 LEU 10 HD13 LEU 10 -4.205 -3.606 10.619 84 HD21 LEU 10 HD21 LEU 10 -4.590 -2.388 13.414 85 HD22 LEU 10 HD22 LEU 10 -5.586 -3.683 14.082 86 HD23 LEU 10 HD23 LEU 10 -5.889 -3.091 12.449 87 H ASP 11 H ASP 11 -3.948 -8.666 13.372 88 HA ASP 11 HA ASP 11 -1.934 -7.866 15.145 89 HB2 ASP 11 HB2 ASP 11 -3.553 -9.543 15.784 90 HB3 ASP 11 HB3 ASP 11 -3.022 -10.612 14.491 91 H ASP 12 H ASP 12 -1.828 -9.657 12.140 92 HA ASP 12 HA ASP 12 0.995 -10.275 12.472 93 HB2 ASP 12 HB2 ASP 12 -0.574 -11.926 11.457 94 HB3 ASP 12 HB3 ASP 12 -0.819 -10.821 10.110 95 H ILE 13 H ILE 13 -0.895 -7.743 11.317 96 HA ILE 13 HA ILE 13 0.965 -6.856 9.280 97 HB ILE 13 HB ILE 13 -1.405 -5.431 10.505 98 HG12 ILE 13 HG12 ILE 13 -1.063 -6.855 7.854 99 HG13 ILE 13 HG13 ILE 13 -2.001 -7.439 9.222 100 HG21 ILE 13 HG21 ILE 13 0.229 -3.839 9.664 101 HG22 ILE 13 HG22 ILE 13 -1.188 -3.870 8.616 102 HG23 ILE 13 HG23 ILE 13 0.293 -4.691 8.120 103 HD11 ILE 13 HD11 ILE 13 -3.429 -6.495 7.504 104 HD12 ILE 13 HD12 ILE 13 -2.576 -4.955 7.628 105 HD13 ILE 13 HD13 ILE 13 -3.520 -5.553 8.992 106 H LEU 14 H LEU 14 2.837 -6.043 9.831 107 HA LEU 14 HA LEU 14 3.657 -5.401 12.396 108 HG LEU 14 HG LEU 14 5.459 -6.897 11.512 109 HB2 LEU 14 HB2 LEU 14 4.823 -4.536 9.752 110 HB3 LEU 14 HB3 LEU 14 5.627 -4.350 11.294 111 HD11 LEU 14 HD11 LEU 14 5.318 -8.130 9.409 112 HD12 LEU 14 HD12 LEU 14 4.941 -6.634 8.554 113 HD13 LEU 14 HD13 LEU 14 3.813 -7.273 9.750 114 HD21 LEU 14 HD21 LEU 14 7.471 -7.217 10.166 115 HD22 LEU 14 HD22 LEU 14 7.536 -5.705 11.071 116 HD23 LEU 14 HD23 LEU 14 7.168 -5.687 9.346 117 HA PRO 15 HA PRO 15 2.086 -1.238 12.945 118 HB2 PRO 15 HB2 PRO 15 3.986 -1.144 15.188 119 HB3 PRO 15 HB3 PRO 15 2.226 -0.999 15.205 120 HG2 PRO 15 HG2 PRO 15 3.484 -3.176 16.166 121 HG3 PRO 15 HG3 PRO 15 1.907 -3.278 15.358 122 HD2 PRO 15 HD2 PRO 15 4.633 -3.902 14.285 123 HD3 PRO 15 HD3 PRO 15 3.102 -4.773 14.051 124 H GLY 16 H GLY 16 2.805 0.418 11.750 125 HA2 GLY 16 HA2 GLY 16 4.317 2.173 11.291 126 HA3 GLY 16 HA3 GLY 16 5.624 1.184 11.926 127 H THR 17 H THR 17 3.210 0.164 9.525 128 HA THR 17 HA THR 17 5.333 0.183 7.492 129 HB THR 17 HB THR 17 4.671 -2.069 6.710 130 HG1 THR 17 HG1 THR 17 3.333 -2.411 9.194 131 HG21 THR 17 HG21 THR 17 5.607 -2.000 9.580 132 HG22 THR 17 HG22 THR 17 6.630 -1.835 8.153 133 HG23 THR 17 HG23 THR 17 5.791 -3.354 8.466 134 H GLY 18 H GLY 18 4.075 -0.959 5.400 135 HA2 GLY 18 HA2 GLY 18 1.422 -0.452 4.894 136 HA3 GLY 18 HA3 GLY 18 2.247 1.070 4.588 137 H VAL 19 H VAL 19 1.650 -2.142 3.459 138 HA VAL 19 HA VAL 19 3.023 -1.484 0.955 139 HB VAL 19 HB VAL 19 3.758 -3.840 0.707 140 HG11 VAL 19 HG11 VAL 19 4.821 -2.426 3.150 141 HG12 VAL 19 HG12 VAL 19 5.351 -2.186 1.485 142 HG13 VAL 19 HG13 VAL 19 5.641 -3.729 2.290 143 HG21 VAL 19 HG21 VAL 19 2.864 -4.090 3.578 144 HG22 VAL 19 HG22 VAL 19 3.826 -5.285 2.707 145 HG23 VAL 19 HG23 VAL 19 2.180 -4.929 2.183 146 H CYS 20 H CYS 20 2.329 -2.998 -0.866 147 HA CYS 20 HA CYS 20 -0.551 -2.927 -0.899 148 HG CYS 20 HG CYS 20 2.283 -5.132 -2.619 149 HB2 CYS 20 HB2 CYS 20 -0.247 -3.640 -3.273 150 HB3 CYS 20 HB3 CYS 20 0.647 -2.179 -2.857 151 H ALA 21 H ALA 21 -1.779 -4.532 -0.223 152 HA ALA 21 HA ALA 21 -0.806 -7.286 -0.240 153 HB1 ALA 21 HB1 ALA 21 -2.877 -7.815 0.952 154 HB2 ALA 21 HB2 ALA 21 -3.430 -6.154 0.743 155 HB3 ALA 21 HB3 ALA 21 -2.015 -6.491 1.739 156 H LEU 22 H LEU 22 -1.957 -8.968 -1.344 157 HA LEU 22 HA LEU 22 -3.100 -7.971 -3.855 158 HG LEU 22 HG LEU 22 -1.500 -10.748 -5.705 159 HB2 LEU 22 HB2 LEU 22 -1.047 -9.471 -3.777 160 HB3 LEU 22 HB3 LEU 22 -2.114 -10.758 -3.256 161 HD11 LEU 22 HD11 LEU 22 -3.430 -12.001 -4.880 162 HD12 LEU 22 HD12 LEU 22 -3.726 -11.343 -6.489 163 HD13 LEU 22 HD13 LEU 22 -4.442 -10.571 -5.073 164 HD21 LEU 22 HD21 LEU 22 -1.617 -8.344 -6.081 165 HD22 LEU 22 HD22 LEU 22 -3.353 -8.372 -5.770 166 HD23 LEU 22 HD23 LEU 22 -2.695 -9.213 -7.173 167 H VAL 23 H VAL 23 -5.247 -7.804 -3.717 168 HA VAL 23 HA VAL 23 -6.741 -10.128 -2.678 169 HB VAL 23 HB VAL 23 -7.759 -7.294 -3.013 170 HG11 VAL 23 HG11 VAL 23 -9.692 -8.085 -1.727 171 HG12 VAL 23 HG12 VAL 23 -9.013 -9.713 -1.713 172 HG13 VAL 23 HG13 VAL 23 -9.508 -8.977 -3.237 173 HG21 VAL 23 HG21 VAL 23 -7.706 -7.164 -0.573 174 HG22 VAL 23 HG22 VAL 23 -6.092 -7.429 -1.231 175 HG23 VAL 23 HG23 VAL 23 -6.977 -8.767 -0.497 176 H GLU 24 H GLU 24 -7.511 -11.379 -4.248 177 HA GLU 24 HA GLU 24 -8.207 -12.145 -6.270 178 HB2 GLU 24 HB2 GLU 24 -9.073 -9.270 -6.618 179 HB3 GLU 24 HB3 GLU 24 -9.423 -10.541 -7.781 180 HG2 GLU 24 HG2 GLU 24 -10.294 -10.598 -4.905 181 HG3 GLU 24 HG3 GLU 24 -11.291 -10.014 -6.237 182 H GLN 25 H GLN 25 -7.513 -9.007 -7.627 183 HA GLN 25 HA GLN 25 -4.725 -9.574 -7.980 184 HB2 GLN 25 HB2 GLN 25 -4.809 -9.102 -10.468 185 HB3 GLN 25 HB3 GLN 25 -5.373 -10.678 -9.955 186 HG2 GLN 25 HG2 GLN 25 -6.870 -10.035 -11.591 187 HG3 GLN 25 HG3 GLN 25 -7.718 -9.687 -10.086 188 HE21 GLN 25 HE21 GLN 25 -8.298 -7.618 -9.635 189 HE22 GLN 25 HE22 GLN 25 -8.013 -6.276 -10.697 190 H GLN 26 H GLN 26 -6.744 -7.700 -6.782 191 HA GLN 26 HA GLN 26 -5.728 -5.162 -7.849 192 HB2 GLN 26 HB2 GLN 26 -7.977 -5.763 -5.914 193 HB3 GLN 26 HB3 GLN 26 -7.456 -4.144 -6.346 194 HG2 GLN 26 HG2 GLN 26 -8.531 -6.182 -8.278 195 HG3 GLN 26 HG3 GLN 26 -9.465 -4.878 -7.549 196 HE21 GLN 26 HE21 GLN 26 -7.277 -2.967 -7.693 197 HE22 GLN 26 HE22 GLN 26 -7.144 -2.514 -9.355 198 H GLN 27 H GLN 27 -4.214 -4.082 -6.752 199 HA GLN 27 HA GLN 27 -3.401 -5.178 -4.160 200 HB2 GLN 27 HB2 GLN 27 -1.937 -3.432 -6.141 201 HB3 GLN 27 HB3 GLN 27 -1.279 -3.939 -4.591 202 HG2 GLN 27 HG2 GLN 27 -1.277 -6.223 -5.246 203 HG3 GLN 27 HG3 GLN 27 -2.189 -5.862 -6.711 204 HE21 GLN 27 HE21 GLN 27 0.899 -5.646 -5.131 205 HE22 GLN 27 HE22 GLN 27 1.828 -5.304 -6.550 206 H ILE 28 H ILE 28 -3.670 -4.089 -2.345 207 HA ILE 28 HA ILE 28 -3.962 -1.172 -2.492 208 HB ILE 28 HB ILE 28 -5.357 -1.640 -0.254 209 HG12 ILE 28 HG12 ILE 28 -7.024 -3.510 -0.919 210 HG13 ILE 28 HG13 ILE 28 -5.728 -4.096 -1.953 211 HG21 ILE 28 HG21 ILE 28 -6.074 -0.251 -2.104 212 HG22 ILE 28 HG22 ILE 28 -7.391 -1.300 -1.576 213 HG23 ILE 28 HG23 ILE 28 -6.490 -1.685 -3.043 214 HD11 ILE 28 HD11 ILE 28 -5.763 -5.275 0.162 215 HD12 ILE 28 HD12 ILE 28 -5.584 -3.751 1.031 216 HD13 ILE 28 HD13 ILE 28 -4.280 -4.335 -0.003 217 H ALA 29 H ALA 29 -2.683 -0.043 -1.197 218 HA ALA 29 HA ALA 29 -0.726 -1.512 0.366 219 HB1 ALA 29 HB1 ALA 29 0.019 0.264 -1.152 220 HB2 ALA 29 HB2 ALA 29 0.445 0.619 0.522 221 HB3 ALA 29 HB3 ALA 29 -0.921 1.440 -0.233 222 H VAL 30 H VAL 30 -1.095 -1.937 2.423 223 HA VAL 30 HA VAL 30 -3.125 -0.339 3.830 224 HB VAL 30 HB VAL 30 -1.923 -2.982 4.692 225 HG11 VAL 30 HG11 VAL 30 -2.856 -1.685 6.527 226 HG12 VAL 30 HG12 VAL 30 -3.861 -3.094 6.190 227 HG13 VAL 30 HG13 VAL 30 -4.372 -1.495 5.646 228 HG21 VAL 30 HG21 VAL 30 -4.513 -2.443 3.238 229 HG22 VAL 30 HG22 VAL 30 -4.026 -3.998 3.915 230 HG23 VAL 30 HG23 VAL 30 -3.102 -3.281 2.594 231 H PHE 31 H PHE 31 -2.121 1.389 4.586 232 HA PHE 31 HA PHE 31 0.452 1.235 5.876 233 HD1 PHE 31 HD2 PHE 31 -1.444 2.889 3.059 234 HD2 PHE 31 HD1 PHE 31 2.012 4.025 5.268 235 HE1 PHE 31 HE2 PHE 31 -0.267 3.382 0.955 236 HE2 PHE 31 HE1 PHE 31 3.195 4.521 3.170 237 HZ PHE 31 HZ PHE 31 2.056 4.200 1.009 238 HB2 PHE 31 HB2 PHE 31 -1.526 3.485 5.492 239 HB3 PHE 31 HB3 PHE 31 -0.019 3.675 6.379 240 H ARG 32 H ARG 32 0.752 0.758 7.933 241 HA ARG 32 HA ARG 32 -1.335 1.542 9.846 242 HE ARG 32 HE ARG 32 -1.400 -0.894 14.151 243 HB2 ARG 32 HB2 ARG 32 -1.034 -0.930 9.745 244 HB3 ARG 32 HB3 ARG 32 0.651 -0.710 10.203 245 HG2 ARG 32 HG2 ARG 32 -0.087 0.336 12.307 246 HG3 ARG 32 HG3 ARG 32 -1.762 0.021 11.854 247 HD2 ARG 32 HD2 ARG 32 -1.311 -2.378 11.833 248 HD3 ARG 32 HD3 ARG 32 0.374 -2.071 12.256 249 HH11 ARG 32 HH11 ARG 32 -0.028 -3.976 13.179 250 HH12 ARG 32 HH12 ARG 32 -0.139 -4.667 14.769 251 HH21 ARG 32 HH21 ARG 32 -1.553 -1.810 16.235 252 HH22 ARG 32 HH22 ARG 32 -1.016 -3.444 16.504 253 HA PRO 33 HA PRO 33 2.477 4.019 10.461 254 HB2 PRO 33 HB2 PRO 33 0.743 6.303 10.879 255 HB3 PRO 33 HB3 PRO 33 1.894 6.018 9.578 256 HG2 PRO 33 HG2 PRO 33 -0.810 6.062 9.218 257 HG3 PRO 33 HG3 PRO 33 0.305 5.150 8.184 258 HD2 PRO 33 HD2 PRO 33 -1.420 4.183 10.434 259 HD3 PRO 33 HD3 PRO 33 -1.071 3.415 8.870 260 H ARG 34 H ARG 34 -0.398 3.662 12.304 261 HA ARG 34 HA ARG 34 0.945 4.639 14.721 262 HE ARG 34 HE ARG 34 -2.364 8.350 13.747 263 HB2 ARG 34 HB2 ARG 34 -1.968 3.996 14.216 264 HB3 ARG 34 HB3 ARG 34 -1.312 4.505 15.765 265 HG2 ARG 34 HG2 ARG 34 -0.647 6.642 14.774 266 HG3 ARG 34 HG3 ARG 34 -1.325 6.126 13.227 267 HD2 ARG 34 HD2 ARG 34 -3.531 5.927 14.256 268 HD3 ARG 34 HD3 ARG 34 -2.858 6.421 15.808 269 HH11 ARG 34 HH11 ARG 34 -4.774 7.196 16.015 270 HH12 ARG 34 HH12 ARG 34 -5.626 8.710 16.085 271 HH21 ARG 34 HH21 ARG 34 -3.469 10.354 13.853 272 HH22 ARG 34 HH22 ARG 34 -4.859 10.514 14.881 273 H ASN 35 H ASN 35 1.006 3.322 16.576 274 HA ASN 35 HA ASN 35 1.133 0.487 16.081 275 HB2 ASN 35 HB2 ASN 35 1.447 2.103 18.622 276 HB3 ASN 35 HB3 ASN 35 1.650 0.355 18.542 277 HD21 ASN 35 HD21 ASN 35 3.596 2.369 19.283 278 HD22 ASN 35 HD22 ASN 35 4.918 2.184 18.176 279 H ASP 36 H ASP 36 -1.365 2.406 16.296 280 HA ASP 36 HA ASP 36 -3.070 0.823 18.041 281 HB2 ASP 36 HB2 ASP 36 -3.164 3.379 17.848 282 HB3 ASP 36 HB3 ASP 36 -3.869 3.135 16.254 283 H GLU 37 H GLU 37 -5.450 1.113 16.407 284 HA GLU 37 HA GLU 37 -4.867 -1.034 14.489 285 HB2 GLU 37 HB2 GLU 37 -7.348 -0.388 16.081 286 HB3 GLU 37 HB3 GLU 37 -7.269 -1.633 14.845 287 HG2 GLU 37 HG2 GLU 37 -5.786 -2.943 16.088 288 HG3 GLU 37 HG3 GLU 37 -5.376 -1.608 17.166 289 H GLN 38 H GLN 38 -5.393 2.173 14.502 290 HA GLN 38 HA GLN 38 -7.306 2.425 12.388 291 HB2 GLN 38 HB2 GLN 38 -6.834 4.236 14.034 292 HB3 GLN 38 HB3 GLN 38 -5.234 4.416 13.332 293 HG2 GLN 38 HG2 GLN 38 -6.721 6.137 12.513 294 HG3 GLN 38 HG3 GLN 38 -6.234 5.065 11.201 295 HE21 GLN 38 HE21 GLN 38 -7.762 3.779 10.205 296 HE22 GLN 38 HE22 GLN 38 -9.461 3.956 10.483 297 H VAL 39 H VAL 39 -6.811 1.437 10.523 298 HA VAL 39 HA VAL 39 -4.096 1.718 9.436 299 HB VAL 39 HB VAL 39 -4.659 -0.156 7.941 300 HG11 VAL 39 HG11 VAL 39 -4.719 -1.912 9.654 301 HG12 VAL 39 HG12 VAL 39 -5.169 -0.706 10.861 302 HG13 VAL 39 HG13 VAL 39 -3.593 -0.620 10.072 303 HG21 VAL 39 HG21 VAL 39 -7.081 0.221 7.790 304 HG22 VAL 39 HG22 VAL 39 -7.261 -0.273 9.473 305 HG23 VAL 39 HG23 VAL 39 -6.714 -1.437 8.267 306 H TYR 40 H TYR 40 -3.918 1.930 7.082 307 HA TYR 40 HA TYR 40 -6.172 3.325 5.808 308 HD1 TYR 40 HD1 TYR 40 -6.418 6.191 5.678 309 HD2 TYR 40 HD2 TYR 40 -3.195 4.944 8.159 310 HE1 TYR 40 HE1 TYR 40 -7.101 7.830 7.379 311 HE2 TYR 40 HE2 TYR 40 -3.869 6.579 9.866 312 HH TYR 40 HH TYR 40 -5.143 8.732 9.960 313 HB2 TYR 40 HB2 TYR 40 -3.290 4.239 5.893 314 HB3 TYR 40 HB3 TYR 40 -4.484 4.883 4.779 315 H ALA 41 H ALA 41 -6.666 1.787 4.293 316 HA ALA 41 HA ALA 41 -4.457 0.616 2.759 317 HB1 ALA 41 HB1 ALA 41 -6.082 -1.032 1.980 318 HB2 ALA 41 HB2 ALA 41 -7.356 -0.206 2.878 319 HB3 ALA 41 HB3 ALA 41 -6.023 -0.972 3.742 320 H ILE 42 H ILE 42 -3.942 2.167 1.296 321 HA ILE 42 HA ILE 42 -6.086 3.034 -0.533 322 HB ILE 42 HB ILE 42 -4.730 5.002 -1.067 323 HG12 ILE 42 HG12 ILE 42 -2.876 4.075 1.141 324 HG13 ILE 42 HG13 ILE 42 -2.517 3.963 -0.579 325 HG21 ILE 42 HG21 ILE 42 -4.994 6.197 1.062 326 HG22 ILE 42 HG22 ILE 42 -5.210 4.655 1.888 327 HG23 ILE 42 HG23 ILE 42 -6.391 5.186 0.690 328 HD11 ILE 42 HD11 ILE 42 -2.999 6.509 0.949 329 HD12 ILE 42 HD12 ILE 42 -2.597 6.384 -0.765 330 HD13 ILE 42 HD13 ILE 42 -1.429 5.879 0.455 331 H SER 43 H SER 43 -5.277 3.469 -2.794 332 HA SER 43 HA SER 43 -3.788 1.145 -3.654 333 HG SER 43 HG SER 43 -6.098 0.807 -5.098 334 HB2 SER 43 HB2 SER 43 -5.015 3.380 -5.292 335 HB3 SER 43 HB3 SER 43 -4.403 1.848 -5.918 336 H ASN 44 H ASN 44 -1.903 2.100 -2.405 337 HA ASN 44 HA ASN 44 -0.366 4.052 -3.948 338 HB2 ASN 44 HB2 ASN 44 -0.406 4.265 -1.485 339 HB3 ASN 44 HB3 ASN 44 0.288 2.656 -1.337 340 HD21 ASN 44 HD21 ASN 44 1.216 5.372 -0.511 341 HD22 ASN 44 HD22 ASN 44 2.814 5.510 -1.158 342 H ILE 45 H ILE 45 0.196 2.994 -5.781 343 HA ILE 45 HA ILE 45 1.940 0.643 -5.523 344 HB ILE 45 HB ILE 45 -0.160 0.832 -7.682 345 HG12 ILE 45 HG12 ILE 45 -0.409 -0.813 -5.158 346 HG13 ILE 45 HG13 ILE 45 -1.241 0.720 -5.412 347 HG21 ILE 45 HG21 ILE 45 0.275 -1.570 -7.909 348 HG22 ILE 45 HG22 ILE 45 1.479 -1.463 -6.623 349 HG23 ILE 45 HG23 ILE 45 1.733 -0.607 -8.144 350 HD11 ILE 45 HD11 ILE 45 -1.571 -1.778 -7.057 351 HD12 ILE 45 HD12 ILE 45 -2.384 -0.239 -7.348 352 HD13 ILE 45 HD13 ILE 45 -2.709 -1.141 -5.869 353 H ASP 46 H ASP 46 3.603 0.602 -7.016 354 HA ASP 46 HA ASP 46 3.836 2.857 -8.846 355 HB2 ASP 46 HB2 ASP 46 6.079 2.183 -9.212 356 HB3 ASP 46 HB3 ASP 46 5.796 1.912 -7.496 357 HA PRO 47 HA PRO 47 2.181 0.426 -12.133 358 HB2 PRO 47 HB2 PRO 47 2.973 2.318 -14.105 359 HB3 PRO 47 HB3 PRO 47 1.411 2.201 -13.296 360 HG2 PRO 47 HG2 PRO 47 3.237 4.283 -13.003 361 HG3 PRO 47 HG3 PRO 47 1.890 3.931 -11.910 362 HD2 PRO 47 HD2 PRO 47 4.786 3.275 -11.629 363 HD3 PRO 47 HD3 PRO 47 3.597 3.705 -10.381 364 H PHE 48 H PHE 48 5.285 0.375 -11.477 365 HA PHE 48 HA PHE 48 6.177 -0.472 -14.141 366 HD1 PHE 48 HD1 PHE 48 8.318 0.560 -15.285 367 HD2 PHE 48 HD2 PHE 48 9.600 -1.477 -11.780 368 HE1 PHE 48 HE1 PHE 48 10.257 -0.324 -16.514 369 HE2 PHE 48 HE2 PHE 48 11.544 -2.360 -12.998 370 HZ PHE 48 HZ PHE 48 11.872 -1.784 -15.371 371 HB2 PHE 48 HB2 PHE 48 7.565 1.197 -12.936 372 HB3 PHE 48 HB3 PHE 48 7.826 0.021 -11.651 373 H ALA 49 H ALA 49 6.393 -1.534 -10.740 374 HA ALA 49 HA ALA 49 6.543 -4.313 -11.739 375 HB1 ALA 49 HB1 ALA 49 7.887 -3.179 -9.285 376 HB2 ALA 49 HB2 ALA 49 8.687 -3.578 -10.806 377 HB3 ALA 49 HB3 ALA 49 7.960 -4.855 -9.830 378 H GLN 50 H GLN 50 4.705 -2.111 -10.154 379 HA GLN 50 HA GLN 50 2.774 -2.230 -9.014 380 HB2 GLN 50 HB2 GLN 50 2.937 -5.159 -9.730 381 HB3 GLN 50 HB3 GLN 50 1.526 -4.383 -9.025 382 HG2 GLN 50 HG2 GLN 50 2.737 -3.429 -11.598 383 HG3 GLN 50 HG3 GLN 50 1.553 -4.735 -11.547 384 HE21 GLN 50 HE21 GLN 50 2.100 -1.337 -10.933 385 HE22 GLN 50 HE22 GLN 50 0.434 -0.874 -10.957 386 H ALA 51 H ALA 51 4.319 -1.713 -7.235 387 HA ALA 51 HA ALA 51 3.524 -3.328 -4.939 388 HB1 ALA 51 HB1 ALA 51 5.778 -3.420 -4.009 389 HB2 ALA 51 HB2 ALA 51 6.427 -2.649 -5.456 390 HB3 ALA 51 HB3 ALA 51 5.722 -4.261 -5.559 391 H SER 52 H SER 52 4.331 -2.089 -2.884 392 HA SER 52 HA SER 52 3.523 0.673 -3.354 393 HG SER 52 HG SER 52 2.341 1.521 -1.621 394 HB2 SER 52 HB2 SER 52 2.447 -0.828 -1.575 395 HB3 SER 52 HB3 SER 52 3.939 -0.617 -0.659 396 H VAL 53 H VAL 53 5.753 0.823 -4.404 397 HA VAL 53 HA VAL 53 7.935 1.145 -2.518 398 HB VAL 53 HB VAL 53 9.309 1.756 -4.436 399 HG11 VAL 53 HG11 VAL 53 7.579 -0.661 -4.948 400 HG12 VAL 53 HG12 VAL 53 9.030 -0.602 -3.948 401 HG13 VAL 53 HG13 VAL 53 9.150 -0.355 -5.690 402 HG21 VAL 53 HG21 VAL 53 7.678 3.021 -5.718 403 HG22 VAL 53 HG22 VAL 53 6.763 1.549 -6.040 404 HG23 VAL 53 HG23 VAL 53 8.382 1.745 -6.711 405 H LEU 54 H LEU 54 5.386 2.987 -3.638 406 HA LEU 54 HA LEU 54 6.684 5.567 -3.360 407 HG LEU 54 HG LEU 54 5.128 4.279 -5.743 408 HB2 LEU 54 HB2 LEU 54 3.774 4.839 -3.752 409 HB3 LEU 54 HB3 LEU 54 4.414 6.466 -3.788 410 HD11 LEU 54 HD11 LEU 54 3.797 5.549 -7.343 411 HD12 LEU 54 HD12 LEU 54 3.347 6.691 -6.076 412 HD13 LEU 54 HD13 LEU 54 2.812 5.013 -5.982 413 HD21 LEU 54 HD21 LEU 54 6.943 5.865 -5.440 414 HD22 LEU 54 HD22 LEU 54 5.835 7.211 -5.692 415 HD23 LEU 54 HD23 LEU 54 6.183 6.096 -7.014 416 H SER 55 H SER 55 6.042 3.350 -1.230 417 HA SER 55 HA SER 55 4.556 4.835 0.751 418 HG SER 55 HG SER 55 4.323 2.099 2.738 419 HB2 SER 55 HB2 SER 55 4.259 2.418 0.635 420 HB3 SER 55 HB3 SER 55 5.987 2.164 0.862 421 H ARG 56 H ARG 56 7.781 3.298 0.745 422 HA ARG 56 HA ARG 56 9.815 3.974 1.495 423 HE ARG 56 HE ARG 56 12.853 7.938 2.179 424 HB2 ARG 56 HB2 ARG 56 9.227 6.128 0.344 425 HB3 ARG 56 HB3 ARG 56 8.599 6.714 1.875 426 HG2 ARG 56 HG2 ARG 56 10.835 6.474 2.866 427 HG3 ARG 56 HG3 ARG 56 11.454 5.949 1.297 428 HD2 ARG 56 HD2 ARG 56 10.647 8.107 0.342 429 HD3 ARG 56 HD3 ARG 56 10.232 8.619 1.976 430 HH11 ARG 56 HH11 ARG 56 11.058 10.027 0.016 431 HH12 ARG 56 HH12 ARG 56 12.389 11.108 -0.262 432 HH21 ARG 56 HH21 ARG 56 14.602 9.389 1.847 433 HH22 ARG 56 HH22 ARG 56 14.392 10.766 0.806 434 H GLY 57 H GLY 57 6.995 4.148 3.299 435 HA2 GLY 57 HA2 GLY 57 6.634 3.700 5.535 436 HA3 GLY 57 HA3 GLY 57 8.374 3.633 5.769 437 H ILE 58 H ILE 58 7.553 6.460 4.189 438 HA ILE 58 HA ILE 58 7.945 7.943 6.685 439 HB ILE 58 HB ILE 58 8.233 8.901 3.830 440 HG12 ILE 58 HG12 ILE 58 9.982 7.300 4.444 441 HG13 ILE 58 HG13 ILE 58 10.650 8.922 4.303 442 HG21 ILE 58 HG21 ILE 58 7.575 10.698 5.322 443 HG22 ILE 58 HG22 ILE 58 9.255 10.898 4.824 444 HG23 ILE 58 HG23 ILE 58 8.880 10.280 6.434 445 HD11 ILE 58 HD11 ILE 58 11.584 7.764 6.210 446 HD12 ILE 58 HD12 ILE 58 9.967 7.502 6.866 447 HD13 ILE 58 HD13 ILE 58 10.614 9.138 6.740 448 H VAL 59 H VAL 59 6.122 8.364 7.607 449 HA VAL 59 HA VAL 59 3.837 9.305 6.045 450 HB VAL 59 HB VAL 59 4.040 8.520 8.956 451 HG11 VAL 59 HG11 VAL 59 1.592 8.624 8.969 452 HG12 VAL 59 HG12 VAL 59 1.606 9.209 7.306 453 HG13 VAL 59 HG13 VAL 59 2.297 10.196 8.595 454 HG21 VAL 59 HG21 VAL 59 4.294 6.613 7.469 455 HG22 VAL 59 HG22 VAL 59 2.818 7.065 6.615 456 HG23 VAL 59 HG23 VAL 59 2.739 6.548 8.300 457 H ALA 60 H ALA 60 4.119 11.418 5.631 458 HA ALA 60 HA ALA 60 5.170 13.177 7.703 459 HB1 ALA 60 HB1 ALA 60 6.056 13.403 5.432 460 HB2 ALA 60 HB2 ALA 60 5.244 14.877 5.958 461 HB3 ALA 60 HB3 ALA 60 4.438 13.779 4.838 462 H GLU 61 H GLU 61 4.064 15.172 8.209 463 HA GLU 61 HA GLU 61 1.136 14.963 7.959 464 HB2 GLU 61 HB2 GLU 61 1.832 14.164 10.181 465 HB3 GLU 61 HB3 GLU 61 2.699 15.668 10.454 466 HG2 GLU 61 HG2 GLU 61 0.516 16.865 10.228 467 HG3 GLU 61 HG3 GLU 61 -0.269 15.286 10.203 468 H HIS 62 H HIS 62 0.253 16.776 7.187 469 HA HIS 62 HA HIS 62 1.842 19.174 6.912 470 HD2 HIS 62 HD2 HIS 62 1.199 20.074 3.567 471 HE1 HIS 62 HE1 HIS 62 -0.448 23.554 5.317 472 HE2 HIS 62 HE2 HIS 62 0.685 22.602 3.259 473 HB2 HIS 62 HB2 HIS 62 0.064 18.299 5.259 474 HB3 HIS 62 HB3 HIS 62 -1.121 18.954 6.382 475 H GLN 63 H GLN 63 -1.031 18.133 8.642 476 HA GLN 63 HA GLN 63 -0.461 19.346 11.064 477 HB2 GLN 63 HB2 GLN 63 -0.847 21.479 9.791 478 HB3 GLN 63 HB3 GLN 63 -2.493 20.945 9.480 479 HG2 GLN 63 HG2 GLN 63 -2.938 20.916 11.881 480 HG3 GLN 63 HG3 GLN 63 -1.290 21.462 12.191 481 HE21 GLN 63 HE21 GLN 63 -4.437 22.332 11.049 482 HE22 GLN 63 HE22 GLN 63 -4.172 24.047 11.008 483 H ASP 64 H ASP 64 -3.482 19.407 9.227 484 HA ASP 64 HA ASP 64 -4.607 17.417 11.062 485 HB2 ASP 64 HB2 ASP 64 -5.988 19.192 9.033 486 HB3 ASP 64 HB3 ASP 64 -6.788 18.119 10.177 487 H ASP 65 H ASP 65 -3.309 17.758 7.978 488 HA ASP 65 HA ASP 65 -4.696 15.370 6.970 489 HB2 ASP 65 HB2 ASP 65 -4.870 17.519 5.646 490 HB3 ASP 65 HB3 ASP 65 -3.139 17.407 5.366 491 H LEU 66 H LEU 66 -3.432 13.748 5.926 492 HA LEU 66 HA LEU 66 -0.655 13.655 6.920 493 HG LEU 66 HG LEU 66 -3.062 12.687 8.630 494 HB2 LEU 66 HB2 LEU 66 -2.614 11.382 6.570 495 HB3 LEU 66 HB3 LEU 66 -0.943 11.203 7.069 496 HD11 LEU 66 HD11 LEU 66 -3.482 10.282 8.566 497 HD12 LEU 66 HD12 LEU 66 -2.959 10.800 10.169 498 HD13 LEU 66 HD13 LEU 66 -1.827 9.977 9.097 499 HD21 LEU 66 HD21 LEU 66 -0.226 11.936 9.329 500 HD22 LEU 66 HD22 LEU 66 -1.391 12.679 10.422 501 HD23 LEU 66 HD23 LEU 66 -0.820 13.565 9.006 502 H TRP 67 H TRP 67 0.925 13.188 5.493 503 HA TRP 67 HA TRP 67 0.094 12.506 2.747 504 HD1 TRP 67 HD1 TRP 67 -0.092 15.650 4.922 505 HE1 TRP 67 HE1 TRP 67 -1.724 17.411 4.006 506 HE3 TRP 67 HE3 TRP 67 0.733 15.018 -0.097 507 HZ2 TRP 67 HZ2 TRP 67 -2.556 18.403 1.512 508 HZ3 TRP 67 HZ3 TRP 67 -0.536 16.415 -1.670 509 HH2 TRP 67 HH2 TRP 67 -2.145 18.070 -0.887 510 HB2 TRP 67 HB2 TRP 67 2.170 14.565 3.538 511 HB3 TRP 67 HB3 TRP 67 1.778 14.087 1.892 512 H VAL 68 H VAL 68 1.040 10.632 2.178 513 HA VAL 68 HA VAL 68 3.423 9.666 3.439 514 HB VAL 68 HB VAL 68 1.727 8.112 2.554 515 HG11 VAL 68 HG11 VAL 68 1.543 7.710 0.146 516 HG12 VAL 68 HG12 VAL 68 2.607 9.084 -0.159 517 HG13 VAL 68 HG13 VAL 68 1.027 9.338 0.585 518 HG21 VAL 68 HG21 VAL 68 3.989 7.302 2.853 519 HG22 VAL 68 HG22 VAL 68 4.427 7.854 1.236 520 HG23 VAL 68 HG23 VAL 68 3.258 6.548 1.438 521 H ALA 69 H ALA 69 5.523 9.717 2.701 522 HA ALA 69 HA ALA 69 6.002 11.503 0.404 523 HB1 ALA 69 HB1 ALA 69 6.778 12.380 2.563 524 HB2 ALA 69 HB2 ALA 69 8.114 12.099 1.446 525 HB3 ALA 69 HB3 ALA 69 7.808 10.963 2.759 526 H SER 70 H SER 70 6.494 10.387 -1.349 527 HA SER 70 HA SER 70 7.563 7.743 -1.273 528 HG SER 70 HG SER 70 5.489 8.001 -2.210 529 HB2 SER 70 HB2 SER 70 7.249 9.642 -3.608 530 HB3 SER 70 HB3 SER 70 7.533 7.904 -3.718 531 HA PRO 71 HA PRO 71 11.872 8.532 -1.243 532 HB2 PRO 71 HB2 PRO 71 12.862 6.432 -2.610 533 HB3 PRO 71 HB3 PRO 71 12.098 6.256 -1.026 534 HG2 PRO 71 HG2 PRO 71 10.951 5.767 -3.746 535 HG3 PRO 71 HG3 PRO 71 10.801 4.786 -2.277 536 HD2 PRO 71 HD2 PRO 71 8.861 6.491 -3.127 537 HD3 PRO 71 HD3 PRO 71 9.129 6.107 -1.415 538 H LEU 72 H LEU 72 10.205 8.759 -4.163 539 HA LEU 72 HA LEU 72 12.361 8.986 -5.979 540 HG LEU 72 HG LEU 72 10.990 7.830 -7.663 541 HB2 LEU 72 HB2 LEU 72 9.507 9.924 -6.077 542 HB3 LEU 72 HB3 LEU 72 10.632 10.295 -7.366 543 HD11 LEU 72 HD11 LEU 72 8.613 7.611 -5.820 544 HD12 LEU 72 HD12 LEU 72 10.258 7.095 -5.449 545 HD13 LEU 72 HD13 LEU 72 9.351 6.291 -6.731 546 HD21 LEU 72 HD21 LEU 72 8.891 7.478 -8.857 547 HD22 LEU 72 HD22 LEU 72 9.520 9.104 -9.123 548 HD23 LEU 72 HD23 LEU 72 8.176 8.850 -8.011 549 H LYS 73 H LYS 73 10.211 11.681 -5.110 550 HA LYS 73 HA LYS 73 12.599 13.407 -4.933 551 HB2 LYS 73 HB2 LYS 73 9.870 14.117 -6.042 552 HB3 LYS 73 HB3 LYS 73 11.217 15.234 -5.869 553 HG2 LYS 73 HG2 LYS 73 12.515 13.959 -7.478 554 HG3 LYS 73 HG3 LYS 73 11.211 12.777 -7.615 555 HD2 LYS 73 HD2 LYS 73 9.727 14.546 -8.464 556 HD3 LYS 73 HD3 LYS 73 11.060 15.699 -8.361 557 HE2 LYS 73 HE2 LYS 73 12.331 14.435 -9.985 558 HE3 LYS 73 HE3 LYS 73 11.086 13.188 -10.031 559 HZ1 LYS 73 HZ1 LYS 73 10.849 14.616 -11.922 560 HZ2 LYS 73 HZ2 LYS 73 10.811 16.005 -10.947 561 HZ3 LYS 73 HZ3 LYS 73 9.535 14.887 -10.883 562 H LYS 74 H LYS 74 11.065 11.952 -2.865 563 HA LYS 74 HA LYS 74 10.059 12.211 -0.845 564 HB2 LYS 74 HB2 LYS 74 12.203 13.587 -0.616 565 HB3 LYS 74 HB3 LYS 74 11.195 15.008 -0.849 566 HG2 LYS 74 HG2 LYS 74 10.044 14.665 1.159 567 HG3 LYS 74 HG3 LYS 74 10.605 12.998 1.294 568 HD2 LYS 74 HD2 LYS 74 12.901 13.821 1.628 569 HD3 LYS 74 HD3 LYS 74 12.301 15.480 1.547 570 HE2 LYS 74 HE2 LYS 74 11.087 15.243 3.555 571 HE3 LYS 74 HE3 LYS 74 11.239 13.487 3.534 572 HZ1 LYS 74 HZ1 LYS 74 12.723 14.450 5.156 573 HZ2 LYS 74 HZ2 LYS 74 13.454 15.424 3.974 574 HZ3 LYS 74 HZ3 LYS 74 13.621 13.736 3.908 575 H GLN 75 H GLN 75 8.524 12.755 -3.103 576 HA GLN 75 HA GLN 75 6.951 15.123 -2.667 577 HB2 GLN 75 HB2 GLN 75 5.592 14.151 -4.583 578 HB3 GLN 75 HB3 GLN 75 7.269 14.542 -4.937 579 HG2 GLN 75 HG2 GLN 75 7.809 12.127 -4.521 580 HG3 GLN 75 HG3 GLN 75 6.074 11.829 -4.456 581 HE21 GLN 75 HE21 GLN 75 5.534 13.858 -6.517 582 HE22 GLN 75 HE22 GLN 75 5.996 13.133 -8.017 583 H HIS 76 H HIS 76 4.893 15.242 -1.938 584 HA HIS 76 HA HIS 76 4.085 13.064 -0.162 585 HD1 HIS 76 HD1 HIS 76 5.217 17.174 -0.245 586 HD2 HIS 76 HD2 HIS 76 4.677 14.362 2.779 587 HE1 HIS 76 HE1 HIS 76 6.978 17.678 1.477 588 HE2 HIS 76 HE2 HIS 76 6.487 16.112 3.390 589 HB2 HIS 76 HB2 HIS 76 3.015 15.884 -0.416 590 HB3 HIS 76 HB3 HIS 76 2.630 14.738 0.862 591 H PHE 77 H PHE 77 2.531 11.688 -0.738 592 HA PHE 77 HA PHE 77 0.879 12.339 -3.057 593 HD1 PHE 77 HD1 PHE 77 3.702 11.190 -2.935 594 HD2 PHE 77 HD2 PHE 77 0.598 8.965 -4.811 595 HE1 PHE 77 HE1 PHE 77 5.130 10.866 -4.909 596 HE2 PHE 77 HE2 PHE 77 2.022 8.644 -6.792 597 HZ PHE 77 HZ PHE 77 4.291 9.594 -6.840 598 HB2 PHE 77 HB2 PHE 77 1.641 9.784 -1.699 599 HB3 PHE 77 HB3 PHE 77 0.220 9.828 -2.736 600 H ARG 78 H ARG 78 0.586 12.192 0.323 601 HA ARG 78 HA ARG 78 -1.144 12.597 1.734 602 HE ARG 78 HE ARG 78 -6.291 13.807 -0.248 603 HB2 ARG 78 HB2 ARG 78 -1.969 14.281 0.273 604 HB3 ARG 78 HB3 ARG 78 -2.589 13.097 -0.864 605 HG2 ARG 78 HG2 ARG 78 -4.396 12.552 0.537 606 HG3 ARG 78 HG3 ARG 78 -3.668 13.375 1.920 607 HD2 ARG 78 HD2 ARG 78 -4.286 15.436 1.198 608 HD3 ARG 78 HD3 ARG 78 -4.125 15.003 -0.502 609 HH11 ARG 78 HH11 ARG 78 -5.448 16.293 2.087 610 HH12 ARG 78 HH12 ARG 78 -7.103 16.801 2.322 611 HH21 ARG 78 HH21 ARG 78 -8.455 14.447 0.094 612 HH22 ARG 78 HH22 ARG 78 -8.805 15.736 1.219 613 H LEU 79 H LEU 79 -2.317 11.238 2.936 614 HA LEU 79 HA LEU 79 -2.722 8.569 1.797 615 HG LEU 79 HG LEU 79 -0.373 9.371 3.477 616 HB2 LEU 79 HB2 LEU 79 -2.578 9.540 4.647 617 HB3 LEU 79 HB3 LEU 79 -2.896 7.877 4.194 618 HD11 LEU 79 HD11 LEU 79 -0.590 9.064 5.899 619 HD12 LEU 79 HD12 LEU 79 0.697 8.067 5.222 620 HD13 LEU 79 HD13 LEU 79 -0.850 7.336 5.650 621 HD21 LEU 79 HD21 LEU 79 -0.939 7.560 1.942 622 HD22 LEU 79 HD22 LEU 79 -1.107 6.450 3.302 623 HD23 LEU 79 HD23 LEU 79 0.468 7.144 2.919 624 H TYR 80 H TYR 80 -4.632 11.138 2.003 625 HA TYR 80 HA TYR 80 -6.870 9.871 3.362 626 HD1 TYR 80 HD2 TYR 80 -7.875 11.275 5.366 627 HD2 TYR 80 HD1 TYR 80 -9.154 12.954 1.677 628 HE1 TYR 80 HE2 TYR 80 -10.153 11.482 6.260 629 HE2 TYR 80 HE1 TYR 80 -11.439 13.165 2.560 630 HH TYR 80 HH TYR 80 -12.180 12.805 5.854 631 HB2 TYR 80 HB2 TYR 80 -6.267 12.318 3.672 632 HB3 TYR 80 HB3 TYR 80 -6.868 12.584 2.038 633 H ASP 81 H ASP 81 -5.754 10.503 0.147 634 HA ASP 81 HA ASP 81 -7.852 8.919 -0.973 635 HB2 ASP 81 HB2 ASP 81 -8.417 10.845 -2.665 636 HB3 ASP 81 HB3 ASP 81 -9.245 10.747 -1.118 637 H GLY 82 H GLY 82 -5.784 11.518 -2.233 638 HA2 GLY 82 HA2 GLY 82 -3.671 10.146 -3.214 639 HA3 GLY 82 HA3 GLY 82 -4.926 9.804 -4.396 640 H PHE 83 H PHE 83 -5.364 12.846 -2.988 641 HA PHE 83 HA PHE 83 -4.384 14.180 -5.360 642 HD1 PHE 83 HD1 PHE 83 -6.113 15.909 -6.473 643 HD2 PHE 83 HD2 PHE 83 -7.822 14.154 -2.994 644 HE1 PHE 83 HE1 PHE 83 -8.226 15.566 -7.687 645 HE2 PHE 83 HE2 PHE 83 -9.935 13.807 -4.201 646 HZ PHE 83 HZ PHE 83 -10.140 14.513 -6.553 647 HB2 PHE 83 HB2 PHE 83 -5.736 15.200 -2.856 648 HB3 PHE 83 HB3 PHE 83 -5.175 16.261 -4.145 649 H CYS 84 H CYS 84 -2.242 14.131 -5.461 650 HA CYS 84 HA CYS 84 -0.589 14.314 -3.118 651 HG CYS 84 HG CYS 84 0.351 11.728 -6.427 652 HB2 CYS 84 HB2 CYS 84 0.344 14.364 -5.977 653 HB3 CYS 84 HB3 CYS 84 1.205 13.774 -4.560 654 H LEU 85 H LEU 85 1.249 15.795 -2.985 655 HA LEU 85 HA LEU 85 0.387 18.503 -3.609 656 HG LEU 85 HG LEU 85 2.953 19.945 -2.605 657 HB2 LEU 85 HB2 LEU 85 1.167 17.872 -1.325 658 HB3 LEU 85 HB3 LEU 85 2.762 17.579 -1.990 659 HD11 LEU 85 HD11 LEU 85 0.267 20.232 -1.260 660 HD12 LEU 85 HD12 LEU 85 0.585 20.408 -2.986 661 HD13 LEU 85 HD13 LEU 85 1.281 21.553 -1.839 662 HD21 LEU 85 HD21 LEU 85 3.770 19.227 -0.435 663 HD22 LEU 85 HD22 LEU 85 2.173 19.470 0.270 664 HD23 LEU 85 HD23 LEU 85 3.094 20.851 -0.326 665 H GLU 86 H GLU 86 3.563 16.864 -3.722 666 HA GLU 86 HA GLU 86 4.399 18.621 -5.864 667 HB2 GLU 86 HB2 GLU 86 5.886 16.346 -4.539 668 HB3 GLU 86 HB3 GLU 86 6.577 17.505 -5.660 669 HG2 GLU 86 HG2 GLU 86 7.262 18.300 -3.612 670 HG3 GLU 86 HG3 GLU 86 5.837 19.279 -3.952 671 H ASP 87 H ASP 87 2.604 15.886 -5.818 672 HA ASP 87 HA ASP 87 3.702 14.948 -8.384 673 HB2 ASP 87 HB2 ASP 87 3.828 13.114 -6.889 674 HB3 ASP 87 HB3 ASP 87 2.223 13.435 -6.237 675 H GLY 88 H GLY 88 2.510 15.122 -10.129 676 HA2 GLY 88 HA2 GLY 88 -0.419 15.169 -9.847 677 HA3 GLY 88 HA3 GLY 88 0.390 16.366 -10.856 678 H ALA 89 H ALA 89 1.885 13.311 -10.729 679 HA ALA 89 HA ALA 89 0.929 12.768 -13.467 680 HB1 ALA 89 HB1 ALA 89 3.589 12.058 -12.235 681 HB2 ALA 89 HB2 ALA 89 3.291 13.385 -13.360 682 HB3 ALA 89 HB3 ALA 89 3.086 11.717 -13.891 683 H TYR 90 H TYR 90 1.766 11.325 -10.354 684 HA TYR 90 HA TYR 90 0.889 8.705 -11.277 685 HD1 TYR 90 HD1 TYR 90 2.794 6.878 -10.958 686 HD2 TYR 90 HD2 TYR 90 4.079 10.423 -8.981 687 HE1 TYR 90 HE1 TYR 90 5.069 6.531 -11.821 688 HE2 TYR 90 HE2 TYR 90 6.358 10.081 -9.842 689 HH TYR 90 HH TYR 90 7.083 7.986 -12.329 690 HB2 TYR 90 HB2 TYR 90 1.922 9.599 -8.576 691 HB3 TYR 90 HB3 TYR 90 1.514 7.938 -8.999 692 H SER 91 H SER 91 0.130 10.535 -8.322 693 HA SER 91 HA SER 91 -1.786 10.804 -7.142 694 HG SER 91 HG SER 91 -1.384 12.223 -9.230 695 HB2 SER 91 HB2 SER 91 -3.164 10.475 -9.815 696 HB3 SER 91 HB3 SER 91 -3.830 11.250 -8.375 697 H VAL 92 H VAL 92 -1.942 9.093 -5.799 698 HA VAL 92 HA VAL 92 -2.677 6.478 -6.738 699 HB VAL 92 HB VAL 92 -2.611 5.812 -4.360 700 HG11 VAL 92 HG11 VAL 92 -0.214 6.206 -4.014 701 HG12 VAL 92 HG12 VAL 92 -0.242 7.444 -5.270 702 HG13 VAL 92 HG13 VAL 92 -0.572 5.762 -5.683 703 HG21 VAL 92 HG21 VAL 92 -3.440 7.871 -3.355 704 HG22 VAL 92 HG22 VAL 92 -1.979 8.720 -3.856 705 HG23 VAL 92 HG23 VAL 92 -1.880 7.426 -2.661 706 H ALA 93 H ALA 93 -4.416 5.277 -5.383 707 HA ALA 93 HA ALA 93 -6.834 6.960 -5.280 708 HB1 ALA 93 HB1 ALA 93 -8.115 4.994 -5.996 709 HB2 ALA 93 HB2 ALA 93 -6.619 4.068 -6.123 710 HB3 ALA 93 HB3 ALA 93 -6.896 5.444 -7.190 711 H ALA 94 H ALA 94 -8.621 5.506 -4.008 712 HA ALA 94 HA ALA 94 -7.433 4.336 -1.628 713 HB1 ALA 94 HB1 ALA 94 -9.151 6.811 -1.494 714 HB2 ALA 94 HB2 ALA 94 -7.429 6.720 -1.127 715 HB3 ALA 94 HB3 ALA 94 -8.593 5.870 -0.111 716 H TYR 95 H TYR 95 -8.537 2.568 -1.286 717 HA TYR 95 HA TYR 95 -11.380 2.449 -1.986 718 HD1 TYR 95 HD1 TYR 95 -8.235 0.967 -3.677 719 HD2 TYR 95 HD2 TYR 95 -12.359 -0.038 -3.473 720 HE1 TYR 95 HE1 TYR 95 -8.292 0.721 -6.124 721 HE2 TYR 95 HE2 TYR 95 -12.429 -0.285 -5.915 722 HH TYR 95 HH TYR 95 -11.284 0.281 -7.858 723 HB2 TYR 95 HB2 TYR 95 -9.277 0.339 -1.561 724 HB3 TYR 95 HB3 TYR 95 -10.988 -0.066 -1.486 725 H ASP 96 H ASP 96 -12.888 1.562 -0.494 726 HA ASP 96 HA ASP 96 -12.530 2.478 2.166 727 HB2 ASP 96 HB2 ASP 96 -14.691 0.821 0.863 728 HB3 ASP 96 HB3 ASP 96 -14.746 1.291 2.558 729 H THR 97 H THR 97 -12.138 1.418 4.021 730 HA THR 97 HA THR 97 -11.602 -1.484 3.934 731 HB THR 97 HB THR 97 -9.850 0.413 5.484 732 HG1 THR 97 HG1 THR 97 -9.988 0.459 2.885 733 HG21 THR 97 HG21 THR 97 -9.416 -2.365 4.393 734 HG22 THR 97 HG22 THR 97 -9.726 -1.938 6.076 735 HG23 THR 97 HG23 THR 97 -8.228 -1.427 5.297 736 H GLN 98 H GLN 98 -11.720 -2.461 6.061 737 HA GLN 98 HA GLN 98 -12.495 -0.849 8.318 738 HB2 GLN 98 HB2 GLN 98 -14.577 -2.077 8.785 739 HB3 GLN 98 HB3 GLN 98 -14.679 -1.135 7.307 740 HG2 GLN 98 HG2 GLN 98 -14.352 -3.139 5.980 741 HG3 GLN 98 HG3 GLN 98 -14.170 -4.099 7.447 742 HE21 GLN 98 HE21 GLN 98 -16.469 -1.491 7.178 743 HE22 GLN 98 HE22 GLN 98 -17.888 -2.483 7.183 744 H VAL 99 H VAL 99 -12.175 -1.854 10.259 745 HA VAL 99 HA VAL 99 -10.887 -4.498 10.109 746 HB VAL 99 HB VAL 99 -10.660 -2.450 12.322 747 HG11 VAL 99 HG11 VAL 99 -8.820 -3.846 13.124 748 HG12 VAL 99 HG12 VAL 99 -9.122 -4.998 11.825 749 HG13 VAL 99 HG13 VAL 99 -10.335 -4.749 13.080 750 HG21 VAL 99 HG21 VAL 99 -8.711 -3.132 10.122 751 HG22 VAL 99 HG22 VAL 99 -8.389 -2.051 11.477 752 HG23 VAL 99 HG23 VAL 99 -9.616 -1.627 10.282 753 H THR 100 H THR 100 -12.493 -5.933 10.365 754 HA THR 100 HA THR 100 -14.495 -5.577 12.417 755 HB THR 100 HB THR 100 -13.918 -8.061 10.783 756 HG1 THR 100 HG1 THR 100 -16.054 -6.366 10.149 757 HG21 THR 100 HG21 THR 100 -16.244 -8.628 11.286 758 HG22 THR 100 HG22 THR 100 -16.406 -7.153 12.239 759 HG23 THR 100 HG23 THR 100 -15.313 -8.430 12.772 760 H ASN 101 H ASN 101 -13.177 -5.360 14.214 761 HA ASN 101 HA ASN 101 -12.326 -6.065 16.184 762 HB2 ASN 101 HB2 ASN 101 -12.903 -8.800 15.063 763 HB3 ASN 101 HB3 ASN 101 -12.129 -8.572 16.626 764 HD21 ASN 101 HD21 ASN 101 -13.773 -9.424 17.827 765 HD22 ASN 101 HD22 ASN 101 -15.315 -8.664 18.000 766 H GLY 102 H GLY 102 -11.026 -8.431 13.879 767 HA2 GLY 102 HA2 GLY 102 -8.383 -7.192 14.215 768 HA3 GLY 102 HA3 GLY 102 -8.558 -8.907 14.564 769 H ASN 103 H ASN 103 -10.679 -8.092 12.154 770 HA ASN 103 HA ASN 103 -8.872 -9.259 10.157 771 HB2 ASN 103 HB2 ASN 103 -11.894 -9.087 10.155 772 HB3 ASN 103 HB3 ASN 103 -10.908 -9.907 8.947 773 HD21 ASN 103 HD21 ASN 103 -12.991 -10.953 10.710 774 HD22 ASN 103 HD22 ASN 103 -12.254 -12.225 11.623 775 H VAL 104 H VAL 104 -8.018 -7.910 8.727 776 HA VAL 104 HA VAL 104 -9.219 -5.312 8.246 777 HB VAL 104 HB VAL 104 -6.753 -6.552 7.001 778 HG11 VAL 104 HG11 VAL 104 -7.712 -3.692 7.006 779 HG12 VAL 104 HG12 VAL 104 -7.674 -4.780 5.618 780 HG13 VAL 104 HG13 VAL 104 -6.168 -4.258 6.370 781 HG21 VAL 104 HG21 VAL 104 -7.031 -4.662 9.329 782 HG22 VAL 104 HG22 VAL 104 -5.507 -5.100 8.555 783 HG23 VAL 104 HG23 VAL 104 -6.462 -6.331 9.380 784 H GLN 105 H GLN 105 -10.769 -5.068 6.807 785 HA GLN 105 HA GLN 105 -10.786 -6.821 4.441 786 HB2 GLN 105 HB2 GLN 105 -13.159 -5.792 6.005 787 HB3 GLN 105 HB3 GLN 105 -13.256 -6.729 4.519 788 HG2 GLN 105 HG2 GLN 105 -12.173 -8.606 5.615 789 HG3 GLN 105 HG3 GLN 105 -12.025 -7.667 7.098 790 HE21 GLN 105 HE21 GLN 105 -14.651 -6.437 6.803 791 HE22 GLN 105 HE22 GLN 105 -15.794 -7.668 7.205 792 H ILE 106 H ILE 106 -11.027 -5.883 2.518 793 HA ILE 106 HA ILE 106 -11.538 -2.992 2.436 794 HB ILE 106 HB ILE 106 -10.158 -2.960 0.337 795 HG12 ILE 106 HG12 ILE 106 -8.401 -4.920 0.351 796 HG13 ILE 106 HG13 ILE 106 -9.692 -5.810 1.150 797 HG21 ILE 106 HG21 ILE 106 -8.774 -3.775 2.882 798 HG22 ILE 106 HG22 ILE 106 -9.248 -2.143 2.410 799 HG23 ILE 106 HG23 ILE 106 -7.994 -2.993 1.507 800 HD11 ILE 106 HD11 ILE 106 -9.878 -4.497 -1.553 801 HD12 ILE 106 HD12 ILE 106 -11.151 -5.423 -0.756 802 HD13 ILE 106 HD13 ILE 106 -9.658 -6.221 -1.248 803 H SER 107 H SER 107 -12.372 -2.252 0.279 804 HA SER 107 HA SER 107 -14.396 -4.142 -0.688 805 HG SER 107 HG SER 107 -14.757 -2.344 1.092 806 HB2 SER 107 HB2 SER 107 -14.212 -1.148 -1.113 807 HB3 SER 107 HB3 SER 107 -15.573 -2.184 -1.539 808 H ILE 108 H ILE 108 -14.159 -5.060 -2.629 809 HA ILE 108 HA ILE 108 -12.080 -4.031 -4.401 810 HB ILE 108 HB ILE 108 -12.860 -6.291 -5.655 811 HG12 ILE 108 HG12 ILE 108 -12.988 -8.029 -3.768 812 HG13 ILE 108 HG13 ILE 108 -13.438 -6.694 -2.717 813 HG21 ILE 108 HG21 ILE 108 -10.587 -5.676 -5.085 814 HG22 ILE 108 HG22 ILE 108 -10.906 -7.348 -4.626 815 HG23 ILE 108 HG23 ILE 108 -10.877 -6.086 -3.394 816 HD11 ILE 108 HD11 ILE 108 -15.393 -6.263 -4.128 817 HD12 ILE 108 HD12 ILE 108 -15.394 -7.897 -3.465 818 HD13 ILE 108 HD13 ILE 108 -14.945 -7.630 -5.149 819 H ALA 109 H ALA 109 -12.750 -2.521 -5.759 820 HA ALA 109 HA ALA 109 -15.139 -3.094 -7.367 821 HB1 ALA 109 HB1 ALA 109 -15.770 -1.447 -5.678 822 HB2 ALA 109 HB2 ALA 109 -15.796 -0.743 -7.295 823 HB3 ALA 109 HB3 ALA 109 -14.454 -0.396 -6.204 824 H ASP 110 H ASP 110 -13.816 -3.788 -9.053 825 HA ASP 110 HA ASP 110 -12.917 -1.672 -10.777 826 HB2 ASP 110 HB2 ASP 110 -10.925 -2.256 -9.246 827 HB3 ASP 110 HB3 ASP 110 -10.850 -3.770 -10.132 828 H SER 111 H SER 111 -12.901 -2.302 -12.906 829 HA SER 111 HA SER 111 -14.221 -4.863 -13.396 830 HG SER 111 HG SER 111 -15.443 -1.639 -14.434 831 HB2 SER 111 HB2 SER 111 -13.777 -2.556 -15.300 832 HB3 SER 111 HB3 SER 111 -14.854 -3.932 -15.539 833 H ASP 112 H ASP 112 -11.115 -3.596 -13.509 834 HA ASP 112 HA ASP 112 -10.307 -5.076 -15.890 835 HB2 ASP 112 HB2 ASP 112 -9.451 -2.736 -15.296 836 HB3 ASP 112 HB3 ASP 112 -8.482 -3.529 -14.059 837 H VAL 113 H VAL 113 -10.496 -7.193 -15.301 838 HA VAL 113 HA VAL 113 -8.857 -8.092 -13.030 839 HB VAL 113 HB VAL 113 -10.920 -9.689 -14.539 840 HG11 VAL 113 HG11 VAL 113 -9.272 -11.055 -13.412 841 HG12 VAL 113 HG12 VAL 113 -10.828 -11.177 -12.589 842 HG13 VAL 113 HG13 VAL 113 -9.544 -10.178 -11.907 843 HG21 VAL 113 HG21 VAL 113 -11.988 -7.783 -13.451 844 HG22 VAL 113 HG22 VAL 113 -11.224 -8.221 -11.922 845 HG23 VAL 113 HG23 VAL 113 -12.422 -9.293 -12.648 846 H ALA 114 H ALA 114 -6.984 -8.988 -13.448 847 HA ALA 114 HA ALA 114 -6.288 -9.796 -16.150 848 HB1 ALA 114 HB1 ALA 114 -4.613 -9.710 -13.640 849 HB2 ALA 114 HB2 ALA 114 -4.704 -8.448 -14.871 850 HB3 ALA 114 HB3 ALA 114 -4.019 -10.023 -15.269 851 H VAL 115 H VAL 115 -5.481 -11.863 -16.678 852 HA VAL 115 HA VAL 115 -6.841 -14.050 -15.485 853 HB VAL 115 HB VAL 115 -4.481 -14.105 -17.379 854 HG11 VAL 115 HG11 VAL 115 -4.791 -16.252 -16.297 855 HG12 VAL 115 HG12 VAL 115 -5.294 -16.345 -17.985 856 HG13 VAL 115 HG13 VAL 115 -6.505 -16.237 -16.709 857 HG21 VAL 115 HG21 VAL 115 -6.170 -14.392 -19.140 858 HG22 VAL 115 HG22 VAL 115 -6.328 -12.842 -18.315 859 HG23 VAL 115 HG23 VAL 115 -7.443 -14.158 -17.942 860 H ASP 116 H ASP 116 -6.209 -15.506 -13.968 861 HA ASP 116 HA ASP 116 -3.424 -15.451 -13.045 862 HB2 ASP 116 HB2 ASP 116 -4.683 -13.967 -11.536 863 HB3 ASP 116 HB3 ASP 116 -5.823 -15.269 -11.206 864 H ASN 117 H ASN 117 -2.735 -17.353 -11.994 865 HA ASN 117 HA ASN 117 -4.542 -19.629 -11.910 866 HB2 ASN 117 HB2 ASN 117 -2.987 -21.034 -13.258 867 HB3 ASN 117 HB3 ASN 117 -3.700 -19.729 -14.198 868 HD21 ASN 117 HD21 ASN 117 -0.799 -20.981 -12.776 869 HD22 ASN 117 HD22 ASN 117 0.302 -19.913 -13.581 870 H SER 118 H SER 118 -3.171 -18.034 -9.940 871 HA SER 118 HA SER 118 -0.713 -19.079 -9.105 872 HG SER 118 HG SER 118 -0.084 -17.924 -6.963 873 HB2 SER 118 HB2 SER 118 -1.633 -16.949 -8.288 874 HB3 SER 118 HB3 SER 118 -2.892 -17.822 -7.416 875 H GLN 119 H GLN 119 -3.995 -19.876 -7.915 876 HA GLN 119 HA GLN 119 -2.961 -22.488 -7.087 877 HB2 GLN 119 HB2 GLN 119 -3.971 -22.332 -4.886 878 HB3 GLN 119 HB3 GLN 119 -2.832 -21.013 -5.105 879 HG2 GLN 119 HG2 GLN 119 -4.634 -19.463 -5.499 880 HG3 GLN 119 HG3 GLN 119 -5.812 -20.774 -5.431 881 HE21 GLN 119 HE21 GLN 119 -6.291 -21.724 -3.461 882 HE22 GLN 119 HE22 GLN 119 -5.912 -20.966 -1.949 883 HA PRO 120 HA PRO 120 -7.014 -23.923 -8.352 884 HB2 PRO 120 HB2 PRO 120 -7.143 -25.699 -6.019 885 HB3 PRO 120 HB3 PRO 120 -7.056 -26.113 -7.733 886 HG2 PRO 120 HG2 PRO 120 -4.989 -26.535 -6.058 887 HG3 PRO 120 HG3 PRO 120 -4.753 -26.095 -7.761 888 HD2 PRO 120 HD2 PRO 120 -4.584 -24.370 -5.314 889 HD3 PRO 120 HD3 PRO 120 -3.527 -24.403 -6.742 890 H LEU 121 H LEU 121 -9.041 -23.209 -7.979 891 HA LEU 121 HA LEU 121 -9.586 -21.540 -5.746 892 HG LEU 121 HG LEU 121 -9.921 -21.264 -8.922 893 HB2 LEU 121 HB2 LEU 121 -11.473 -22.728 -7.785 894 HB3 LEU 121 HB3 LEU 121 -11.892 -21.463 -6.645 895 HD11 LEU 121 HD11 LEU 121 -11.487 -19.601 -9.787 896 HD12 LEU 121 HD12 LEU 121 -12.561 -19.889 -8.419 897 HD13 LEU 121 HD13 LEU 121 -12.268 -21.171 -9.594 898 HD21 LEU 121 HD21 LEU 121 -9.705 -18.896 -8.257 899 HD22 LEU 121 HD22 LEU 121 -9.075 -20.004 -7.039 900 HD23 LEU 121 HD23 LEU 121 -10.648 -19.241 -6.805 901 HA PRO 122 HA PRO 122 -11.010 -24.182 -2.515 902 HB2 PRO 122 HB2 PRO 122 -13.526 -22.571 -2.608 903 HB3 PRO 122 HB3 PRO 122 -12.517 -22.994 -1.220 904 HG2 PRO 122 HG2 PRO 122 -12.415 -20.552 -2.272 905 HG3 PRO 122 HG3 PRO 122 -10.944 -21.356 -1.693 906 HD2 PRO 122 HD2 PRO 122 -11.871 -20.879 -4.480 907 HD3 PRO 122 HD3 PRO 122 -10.222 -20.964 -3.833 908 H LEU 123 H LEU 123 -12.041 -26.121 -2.459 909 HA LEU 123 HA LEU 123 -13.414 -26.936 -4.838 910 HG LEU 123 HG LEU 123 -14.646 -29.548 -3.613 911 HB2 LEU 123 HB2 LEU 123 -11.842 -28.423 -3.674 912 HB3 LEU 123 HB3 LEU 123 -12.892 -28.439 -2.270 913 HD11 LEU 123 HD11 LEU 123 -14.061 -30.477 -5.804 914 HD12 LEU 123 HD12 LEU 123 -12.533 -29.598 -5.760 915 HD13 LEU 123 HD13 LEU 123 -14.058 -28.713 -5.806 916 HD21 LEU 123 HD21 LEU 123 -13.093 -30.872 -2.276 917 HD22 LEU 123 HD22 LEU 123 -11.979 -30.956 -3.642 918 HD23 LEU 123 HD23 LEU 123 -13.561 -31.727 -3.746 919 H GLU 124 H GLU 124 -15.365 -25.957 -5.001 920 HA GLU 124 HA GLU 124 -17.286 -26.379 -2.832 921 HB2 GLU 124 HB2 GLU 124 -17.175 -24.088 -3.658 922 HB3 GLU 124 HB3 GLU 124 -17.457 -24.644 -5.305 923 HG2 GLU 124 HG2 GLU 124 -19.667 -25.492 -4.600 924 HG3 GLU 124 HG3 GLU 124 -19.384 -24.814 -2.999 925 H HIS 125 H HIS 125 -18.682 -27.981 -2.973 926 HA HIS 125 HA HIS 125 -19.570 -28.829 -5.635 927 HD1 HIS 125 HD1 HIS 125 -20.669 -31.868 -2.573 928 HD2 HIS 125 HD2 HIS 125 -16.832 -30.268 -2.353 929 HE1 HIS 125 HE1 HIS 125 -19.843 -32.391 -0.255 930 HE2 HIS 125 HE2 HIS 125 -17.448 -31.601 -0.224 931 HB2 HIS 125 HB2 HIS 125 -19.697 -31.177 -4.841 932 HB3 HIS 125 HB3 HIS 125 -18.052 -30.563 -4.880 933 H HIS 126 H HIS 126 -20.748 -26.931 -3.951 934 HA HIS 126 HA HIS 126 -22.816 -27.943 -2.328 935 HD1 HIS 126 HD1 HIS 126 -21.710 -23.391 -2.332 936 HD2 HIS 126 HD2 HIS 126 -21.794 -27.087 -0.417 937 HE1 HIS 126 HE1 HIS 126 -20.368 -23.096 -0.220 938 HE2 HIS 126 HE2 HIS 126 -20.436 -25.339 0.929 939 HB2 HIS 126 HB2 HIS 126 -22.568 -25.318 -3.809 940 HB3 HIS 126 HB3 HIS 126 -23.892 -25.687 -2.709 941 H HIS 127 H HIS 127 -24.254 -29.328 -3.031 942 HA HIS 127 HA HIS 127 -25.918 -28.697 -5.313 943 HD1 HIS 127 HD1 HIS 127 -25.323 -33.141 -6.250 944 HD2 HIS 127 HD2 HIS 127 -26.700 -29.566 -7.881 945 HE1 HIS 127 HE1 HIS 127 -27.003 -33.796 -8.007 946 HE2 HIS 127 HE2 HIS 127 -27.967 -31.618 -8.831 947 HB2 HIS 127 HB2 HIS 127 -24.044 -29.875 -6.370 948 HB3 HIS 127 HB3 HIS 127 -24.223 -31.208 -5.236 949 H HIS 128 H HIS 128 -27.773 -28.754 -4.208 950 HA HIS 128 HA HIS 128 -28.241 -30.958 -2.312 951 HD1 HIS 128 HD1 HIS 128 -29.518 -29.275 0.751 952 HD2 HIS 128 HD2 HIS 128 -26.718 -27.623 -1.844 953 HE1 HIS 128 HE1 HIS 128 -27.755 -28.236 2.221 954 HE2 HIS 128 HE2 HIS 128 -26.236 -27.005 0.619 955 HB2 HIS 128 HB2 HIS 128 -29.553 -28.261 -2.639 956 HB3 HIS 128 HB3 HIS 128 -30.192 -29.514 -1.587 957 H HIS 129 H HIS 129 -29.978 -32.290 -2.467 958 HA HIS 129 HA HIS 129 -31.836 -31.882 -4.711 959 HD1 HIS 129 HD1 HIS 129 -29.367 -35.480 -3.968 960 HD2 HIS 129 HD2 HIS 129 -31.730 -33.602 -6.836 961 HE1 HIS 129 HE1 HIS 129 -28.349 -36.076 -6.190 962 HE2 HIS 129 HE2 HIS 129 -29.730 -34.849 -7.906 963 HB2 HIS 129 HB2 HIS 129 -31.268 -34.272 -2.950 964 HB3 HIS 129 HB3 HIS 129 -32.675 -34.191 -4.005 965 H HIS 130 H HIS 130 -31.372 -31.571 -1.389 966 HA HIS 130 HA HIS 130 -34.029 -30.445 -1.097 967 HD1 HIS 130 HD1 HIS 130 -32.393 -34.411 -0.119 968 HD2 HIS 130 HD2 HIS 130 -32.265 -31.604 2.948 969 HE1 HIS 130 HE1 HIS 130 -30.693 -35.272 1.515 970 HE2 HIS 130 HE2 HIS 130 -30.777 -33.664 3.453 971 HB2 HIS 130 HB2 HIS 130 -34.390 -31.518 1.093 972 HB3 HIS 130 HB3 HIS 130 -34.308 -32.708 -0.199 Start of MODEL 3 1 HA MET 1 HA MET 1 -21.704 -0.236 2.124 2 H1 MET 1 H1 MET 1 -23.595 0.362 3.461 3 H2 MET 1 H2 MET 1 -23.619 -1.175 4.175 4 H3 MET 1 H3 MET 1 -23.949 -1.004 2.521 5 HB2 MET 1 HB2 MET 1 -21.342 -0.869 5.064 6 HB3 MET 1 HB3 MET 1 -20.039 -0.488 3.948 7 HG2 MET 1 HG2 MET 1 -20.936 1.744 3.626 8 HG3 MET 1 HG3 MET 1 -22.297 1.363 4.678 9 HE1 MET 1 HE1 MET 1 -21.774 3.557 6.100 10 HE2 MET 1 HE2 MET 1 -20.404 3.916 5.049 11 HE3 MET 1 HE3 MET 1 -20.194 3.906 6.800 12 H SER 2 H SER 2 -21.385 -1.899 0.784 13 HA SER 2 HA SER 2 -21.136 -4.596 1.960 14 HG SER 2 HG SER 2 -24.115 -5.023 0.360 15 HB2 SER 2 HB2 SER 2 -22.255 -3.849 -0.754 16 HB3 SER 2 HB3 SER 2 -22.071 -5.489 -0.135 17 H GLN 3 H GLN 3 -20.127 -6.060 0.082 18 HA GLN 3 HA GLN 3 -18.293 -6.677 -1.073 19 HB2 GLN 3 HB2 GLN 3 -18.093 -3.748 -1.790 20 HB3 GLN 3 HB3 GLN 3 -17.185 -5.046 -2.554 21 HG2 GLN 3 HG2 GLN 3 -19.226 -6.028 -3.393 22 HG3 GLN 3 HG3 GLN 3 -20.186 -4.812 -2.551 23 HE21 GLN 3 HE21 GLN 3 -18.110 -5.458 -5.256 24 HE22 GLN 3 HE22 GLN 3 -18.424 -3.976 -6.106 25 H TRP 4 H TRP 4 -17.563 -7.060 1.158 26 HA TRP 4 HA TRP 4 -15.160 -5.459 1.746 27 HD1 TRP 4 HD1 TRP 4 -19.102 -5.817 3.533 28 HE1 TRP 4 HE1 TRP 4 -19.819 -3.410 4.091 29 HE3 TRP 4 HE3 TRP 4 -14.477 -3.688 4.006 30 HZ2 TRP 4 HZ2 TRP 4 -18.581 -0.934 4.653 31 HZ3 TRP 4 HZ3 TRP 4 -14.334 -1.297 4.554 32 HH2 TRP 4 HH2 TRP 4 -16.342 0.052 4.870 33 HB2 TRP 4 HB2 TRP 4 -16.825 -7.103 3.667 34 HB3 TRP 4 HB3 TRP 4 -15.385 -6.181 4.082 35 H THR 5 H THR 5 -13.325 -6.481 1.346 36 HA THR 5 HA THR 5 -13.325 -9.415 1.217 37 HB THR 5 HB THR 5 -11.190 -7.517 0.215 38 HG1 THR 5 HG1 THR 5 -12.321 -8.420 -1.876 39 HG21 THR 5 HG21 THR 5 -11.749 -10.425 -0.379 40 HG22 THR 5 HG22 THR 5 -10.422 -9.805 0.603 41 HG23 THR 5 HG23 THR 5 -10.480 -9.452 -1.125 42 H THR 6 H THR 6 -12.123 -10.603 2.628 43 HA THR 6 HA THR 6 -10.989 -9.243 4.909 44 HB THR 6 HB THR 6 -11.002 -12.203 4.264 45 HG1 THR 6 HG1 THR 6 -13.026 -10.595 4.882 46 HG21 THR 6 HG21 THR 6 -10.652 -12.499 6.667 47 HG22 THR 6 HG22 THR 6 -10.598 -10.749 6.883 48 HG23 THR 6 HG23 THR 6 -9.338 -11.563 5.953 49 H VAL 7 H VAL 7 -8.983 -8.490 4.940 50 HA VAL 7 HA VAL 7 -7.066 -9.280 2.930 51 HB VAL 7 HB VAL 7 -6.663 -7.451 5.308 52 HG11 VAL 7 HG11 VAL 7 -5.099 -7.738 2.746 53 HG12 VAL 7 HG12 VAL 7 -4.584 -8.279 4.342 54 HG13 VAL 7 HG13 VAL 7 -4.788 -6.558 4.019 55 HG21 VAL 7 HG21 VAL 7 -7.464 -6.778 2.476 56 HG22 VAL 7 HG22 VAL 7 -7.056 -5.608 3.731 57 HG23 VAL 7 HG23 VAL 7 -8.480 -6.633 3.909 58 H CYS 8 H CYS 8 -6.865 -9.107 6.477 59 HA CYS 8 HA CYS 8 -5.964 -11.726 6.890 60 HG CYS 8 HG CYS 8 -1.863 -11.612 7.383 61 HB2 CYS 8 HB2 CYS 8 -3.992 -10.674 5.607 62 HB3 CYS 8 HB3 CYS 8 -3.716 -9.716 7.057 63 H LYS 9 H LYS 9 -4.327 -11.352 9.098 64 HA LYS 9 HA LYS 9 -6.189 -10.571 11.088 65 HB2 LYS 9 HB2 LYS 9 -3.208 -11.019 11.324 66 HB3 LYS 9 HB3 LYS 9 -4.332 -10.918 12.667 67 HG2 LYS 9 HG2 LYS 9 -5.442 -12.940 11.902 68 HG3 LYS 9 HG3 LYS 9 -4.323 -13.039 10.540 69 HD2 LYS 9 HD2 LYS 9 -3.606 -14.513 12.342 70 HD3 LYS 9 HD3 LYS 9 -2.442 -13.207 12.107 71 HE2 LYS 9 HE2 LYS 9 -3.559 -11.978 13.974 72 HE3 LYS 9 HE3 LYS 9 -4.538 -13.414 14.264 73 HZ1 LYS 9 HZ1 LYS 9 -2.686 -13.405 15.751 74 HZ2 LYS 9 HZ2 LYS 9 -1.585 -13.205 14.481 75 HZ3 LYS 9 HZ3 LYS 9 -2.453 -14.655 14.627 76 H LEU 10 H LEU 10 -6.176 -8.816 12.496 77 HA LEU 10 HA LEU 10 -5.034 -6.336 11.675 78 HG LEU 10 HG LEU 10 -4.904 -4.893 14.272 79 HB2 LEU 10 HB2 LEU 10 -7.085 -6.618 13.104 80 HB3 LEU 10 HB3 LEU 10 -6.046 -7.145 14.412 81 HD11 LEU 10 HD11 LEU 10 -6.122 -3.087 13.186 82 HD12 LEU 10 HD12 LEU 10 -7.300 -4.243 12.562 83 HD13 LEU 10 HD13 LEU 10 -5.623 -4.308 12.017 84 HD21 LEU 10 HD21 LEU 10 -6.526 -5.437 16.018 85 HD22 LEU 10 HD22 LEU 10 -7.843 -4.922 14.964 86 HD23 LEU 10 HD23 LEU 10 -6.656 -3.747 15.532 87 H ASP 11 H ASP 11 -3.905 -9.062 13.279 88 HA ASP 11 HA ASP 11 -1.706 -7.754 14.677 89 HB2 ASP 11 HB2 ASP 11 -2.719 -9.436 15.977 90 HB3 ASP 11 HB3 ASP 11 -2.851 -10.536 14.613 91 H ASP 12 H ASP 12 -2.372 -9.471 11.766 92 HA ASP 12 HA ASP 12 0.369 -10.300 11.323 93 HB2 ASP 12 HB2 ASP 12 -1.588 -11.671 10.586 94 HB3 ASP 12 HB3 ASP 12 -1.982 -10.410 9.423 95 H ILE 13 H ILE 13 -1.737 -7.688 10.486 96 HA ILE 13 HA ILE 13 0.024 -6.656 8.428 97 HB ILE 13 HB ILE 13 -2.310 -5.286 9.782 98 HG12 ILE 13 HG12 ILE 13 -2.198 -6.763 7.138 99 HG13 ILE 13 HG13 ILE 13 -2.949 -7.380 8.605 100 HG21 ILE 13 HG21 ILE 13 -0.756 -3.729 8.729 101 HG22 ILE 13 HG22 ILE 13 -2.271 -3.806 7.831 102 HG23 ILE 13 HG23 ILE 13 -0.844 -4.643 7.222 103 HD11 ILE 13 HD11 ILE 13 -4.616 -6.520 7.090 104 HD12 ILE 13 HD12 ILE 13 -3.809 -4.950 7.052 105 HD13 ILE 13 HD13 ILE 13 -4.547 -5.526 8.546 106 H LEU 14 H LEU 14 1.873 -5.753 8.949 107 HA LEU 14 HA LEU 14 2.618 -5.202 11.602 108 HG LEU 14 HG LEU 14 3.768 -6.827 9.089 109 HB2 LEU 14 HB2 LEU 14 3.985 -4.411 9.034 110 HB3 LEU 14 HB3 LEU 14 4.718 -4.411 10.625 111 HD11 LEU 14 HD11 LEU 14 6.523 -5.906 9.893 112 HD12 LEU 14 HD12 LEU 14 5.856 -5.912 8.261 113 HD13 LEU 14 HD13 LEU 14 6.143 -7.435 9.103 114 HD21 LEU 14 HD21 LEU 14 4.674 -8.143 10.944 115 HD22 LEU 14 HD22 LEU 14 3.341 -7.115 11.470 116 HD23 LEU 14 HD23 LEU 14 5.007 -6.657 11.835 117 HA PRO 15 HA PRO 15 1.500 -0.933 12.011 118 HB2 PRO 15 HB2 PRO 15 3.031 -0.292 14.124 119 HB3 PRO 15 HB3 PRO 15 1.635 -1.365 14.273 120 HG2 PRO 15 HG2 PRO 15 4.542 -2.052 14.091 121 HG3 PRO 15 HG3 PRO 15 3.295 -2.737 15.149 122 HD2 PRO 15 HD2 PRO 15 4.153 -3.938 12.847 123 HD3 PRO 15 HD3 PRO 15 2.529 -4.163 13.526 124 H GLY 16 H GLY 16 2.267 1.128 11.593 125 HA2 GLY 16 HA2 GLY 16 3.638 2.768 10.784 126 HA3 GLY 16 HA3 GLY 16 4.971 1.888 11.513 127 H THR 17 H THR 17 2.898 0.487 9.035 128 HA THR 17 HA THR 17 5.010 0.883 7.053 129 HB THR 17 HB THR 17 4.959 -1.564 6.455 130 HG1 THR 17 HG1 THR 17 3.764 -1.793 9.037 131 HG21 THR 17 HG21 THR 17 6.022 -0.928 9.208 132 HG22 THR 17 HG22 THR 17 6.851 -0.599 7.688 133 HG23 THR 17 HG23 THR 17 6.536 -2.263 8.178 134 H GLY 18 H GLY 18 4.261 -0.507 5.002 135 HA2 GLY 18 HA2 GLY 18 1.411 -0.700 4.647 136 HA3 GLY 18 HA3 GLY 18 2.136 0.649 3.776 137 H VAL 19 H VAL 19 1.477 -2.673 3.704 138 HA VAL 19 HA VAL 19 3.585 -3.150 1.724 139 HB VAL 19 HB VAL 19 3.179 -5.565 2.098 140 HG11 VAL 19 HG11 VAL 19 4.255 -5.665 4.297 141 HG12 VAL 19 HG12 VAL 19 3.842 -3.974 4.574 142 HG13 VAL 19 HG13 VAL 19 4.964 -4.407 3.285 143 HG21 VAL 19 HG21 VAL 19 1.366 -4.599 4.308 144 HG22 VAL 19 HG22 VAL 19 1.881 -6.267 4.056 145 HG23 VAL 19 HG23 VAL 19 0.869 -5.467 2.855 146 H CYS 20 H CYS 20 3.185 -3.862 -0.311 147 HA CYS 20 HA CYS 20 0.545 -3.563 -1.355 148 HG CYS 20 HG CYS 20 3.893 -5.672 -1.643 149 HB2 CYS 20 HB2 CYS 20 1.701 -4.485 -3.454 150 HB3 CYS 20 HB3 CYS 20 2.294 -2.957 -2.813 151 H ALA 21 H ALA 21 -0.998 -5.023 -1.176 152 HA ALA 21 HA ALA 21 -0.250 -7.875 -1.181 153 HB1 ALA 21 HB1 ALA 21 -2.297 -8.306 0.078 154 HB2 ALA 21 HB2 ALA 21 -2.681 -6.584 0.063 155 HB3 ALA 21 HB3 ALA 21 -1.259 -7.167 0.932 156 H LEU 22 H LEU 22 -1.314 -9.258 -2.541 157 HA LEU 22 HA LEU 22 -2.762 -8.037 -4.740 158 HG LEU 22 HG LEU 22 -2.772 -9.330 -6.780 159 HB2 LEU 22 HB2 LEU 22 -0.988 -9.865 -4.959 160 HB3 LEU 22 HB3 LEU 22 -2.192 -10.971 -4.331 161 HD11 LEU 22 HD11 LEU 22 -1.935 -11.181 -8.146 162 HD12 LEU 22 HD12 LEU 22 -1.322 -11.976 -6.696 163 HD13 LEU 22 HD13 LEU 22 -0.643 -10.432 -7.210 164 HD21 LEU 22 HD21 LEU 22 -3.699 -12.053 -5.866 165 HD22 LEU 22 HD22 LEU 22 -4.238 -11.196 -7.310 166 HD23 LEU 22 HD23 LEU 22 -4.614 -10.552 -5.713 167 H VAL 23 H VAL 23 -4.673 -7.396 -3.914 168 HA VAL 23 HA VAL 23 -6.465 -9.502 -2.890 169 HB VAL 23 HB VAL 23 -6.598 -6.543 -2.259 170 HG11 VAL 23 HG11 VAL 23 -8.122 -8.872 -1.102 171 HG12 VAL 23 HG12 VAL 23 -8.764 -7.667 -2.217 172 HG13 VAL 23 HG13 VAL 23 -8.257 -7.188 -0.595 173 HG21 VAL 23 HG21 VAL 23 -5.855 -7.126 -0.009 174 HG22 VAL 23 HG22 VAL 23 -4.637 -7.559 -1.209 175 HG23 VAL 23 HG23 VAL 23 -5.660 -8.809 -0.501 176 H GLU 24 H GLU 24 -8.279 -9.832 -4.040 177 HA GLU 24 HA GLU 24 -9.960 -9.592 -5.569 178 HB2 GLU 24 HB2 GLU 24 -9.778 -7.162 -4.427 179 HB3 GLU 24 HB3 GLU 24 -9.451 -6.743 -6.097 180 HG2 GLU 24 HG2 GLU 24 -11.718 -6.505 -5.975 181 HG3 GLU 24 HG3 GLU 24 -11.552 -8.131 -6.621 182 H GLN 25 H GLN 25 -7.023 -9.649 -6.074 183 HA GLN 25 HA GLN 25 -5.720 -10.273 -7.840 184 HB2 GLN 25 HB2 GLN 25 -8.090 -9.562 -9.586 185 HB3 GLN 25 HB3 GLN 25 -6.634 -10.388 -10.118 186 HG2 GLN 25 HG2 GLN 25 -8.604 -11.431 -8.098 187 HG3 GLN 25 HG3 GLN 25 -8.489 -11.936 -9.783 188 HE21 GLN 25 HE21 GLN 25 -8.212 -13.465 -7.287 189 HE22 GLN 25 HE22 GLN 25 -6.653 -14.222 -7.378 190 H GLN 26 H GLN 26 -6.037 -7.535 -6.735 191 HA GLN 26 HA GLN 26 -4.494 -6.190 -8.838 192 HB2 GLN 26 HB2 GLN 26 -7.069 -5.434 -8.191 193 HB3 GLN 26 HB3 GLN 26 -6.093 -4.367 -7.189 194 HG2 GLN 26 HG2 GLN 26 -5.559 -4.688 -10.119 195 HG3 GLN 26 HG3 GLN 26 -6.776 -3.565 -9.520 196 HE21 GLN 26 HE21 GLN 26 -6.141 -1.751 -8.416 197 HE22 GLN 26 HE22 GLN 26 -4.513 -1.165 -8.439 198 H GLN 27 H GLN 27 -3.266 -4.283 -7.874 199 HA GLN 27 HA GLN 27 -2.006 -5.226 -5.420 200 HB2 GLN 27 HB2 GLN 27 -1.207 -3.229 -7.526 201 HB3 GLN 27 HB3 GLN 27 -0.320 -3.407 -6.018 202 HG2 GLN 27 HG2 GLN 27 -0.815 -5.669 -7.937 203 HG3 GLN 27 HG3 GLN 27 0.626 -4.652 -7.965 204 HE21 GLN 27 HE21 GLN 27 -1.131 -7.093 -6.214 205 HE22 GLN 27 HE22 GLN 27 0.163 -7.545 -5.159 206 H ILE 28 H ILE 28 -2.548 -4.428 -3.541 207 HA ILE 28 HA ILE 28 -3.267 -1.579 -3.311 208 HB ILE 28 HB ILE 28 -4.748 -3.869 -1.983 209 HG12 ILE 28 HG12 ILE 28 -5.693 -1.836 -4.020 210 HG13 ILE 28 HG13 ILE 28 -5.340 -3.528 -4.362 211 HG21 ILE 28 HG21 ILE 28 -4.516 -1.949 -0.494 212 HG22 ILE 28 HG22 ILE 28 -6.187 -2.151 -1.018 213 HG23 ILE 28 HG23 ILE 28 -5.181 -0.895 -1.743 214 HD11 ILE 28 HD11 ILE 28 -7.159 -4.213 -2.907 215 HD12 ILE 28 HD12 ILE 28 -7.735 -3.102 -4.152 216 HD13 ILE 28 HD13 ILE 28 -7.486 -2.529 -2.500 217 H ALA 29 H ALA 29 -2.190 -0.589 -1.717 218 HA ALA 29 HA ALA 29 -0.464 -2.200 -0.002 219 HB1 ALA 29 HB1 ALA 29 0.523 -0.312 -1.230 220 HB2 ALA 29 HB2 ALA 29 0.667 -0.108 0.515 221 HB3 ALA 29 HB3 ALA 29 -0.556 0.795 -0.380 222 H VAL 30 H VAL 30 -0.713 -2.384 2.155 223 HA VAL 30 HA VAL 30 -3.061 -0.999 3.317 224 HB VAL 30 HB VAL 30 -1.797 -3.574 4.289 225 HG11 VAL 30 HG11 VAL 30 -4.364 -2.185 5.055 226 HG12 VAL 30 HG12 VAL 30 -2.917 -2.336 6.051 227 HG13 VAL 30 HG13 VAL 30 -3.850 -3.771 5.632 228 HG21 VAL 30 HG21 VAL 30 -2.818 -3.891 2.092 229 HG22 VAL 30 HG22 VAL 30 -4.315 -3.162 2.674 230 HG23 VAL 30 HG23 VAL 30 -3.762 -4.696 3.345 231 H PHE 31 H PHE 31 -2.511 0.644 4.509 232 HA PHE 31 HA PHE 31 0.122 0.815 5.743 233 HD1 PHE 31 HD2 PHE 31 -1.950 1.846 3.018 234 HD2 PHE 31 HD1 PHE 31 0.999 4.220 4.947 235 HE1 PHE 31 HE2 PHE 31 -1.087 2.541 0.824 236 HE2 PHE 31 HE1 PHE 31 1.868 4.927 2.756 237 HZ PHE 31 HZ PHE 31 0.824 4.085 0.688 238 HB2 PHE 31 HB2 PHE 31 -2.120 2.831 5.494 239 HB3 PHE 31 HB3 PHE 31 -0.559 3.163 6.224 240 H ARG 32 H ARG 32 0.492 1.001 7.929 241 HA ARG 32 HA ARG 32 -1.797 1.394 9.695 242 HE ARG 32 HE ARG 32 -0.731 -2.137 12.747 243 HB2 ARG 32 HB2 ARG 32 0.075 -0.908 9.807 244 HB3 ARG 32 HB3 ARG 32 -0.449 -0.205 11.330 245 HG2 ARG 32 HG2 ARG 32 -2.804 -0.523 10.585 246 HG3 ARG 32 HG3 ARG 32 -2.185 -1.392 9.180 247 HD2 ARG 32 HD2 ARG 32 -2.864 -2.932 10.946 248 HD3 ARG 32 HD3 ARG 32 -1.130 -3.029 10.644 249 HH11 ARG 32 HH11 ARG 32 -4.136 -1.999 12.031 250 HH12 ARG 32 HH12 ARG 32 -4.613 -1.813 13.693 251 HH21 ARG 32 HH21 ARG 32 -1.339 -1.918 14.950 252 HH22 ARG 32 HH22 ARG 32 -3.023 -1.794 15.349 253 HA PRO 33 HA PRO 33 2.144 3.961 10.342 254 HB2 PRO 33 HB2 PRO 33 0.302 6.255 10.167 255 HB3 PRO 33 HB3 PRO 33 1.832 5.975 9.331 256 HG2 PRO 33 HG2 PRO 33 -0.503 5.831 8.030 257 HG3 PRO 33 HG3 PRO 33 0.840 4.732 7.652 258 HD2 PRO 33 HD2 PRO 33 -1.616 4.226 9.297 259 HD3 PRO 33 HD3 PRO 33 -0.842 3.186 8.082 260 H ARG 34 H ARG 34 -1.089 4.763 11.636 261 HA ARG 34 HA ARG 34 -0.083 6.022 13.972 262 HE ARG 34 HE ARG 34 -3.497 9.118 12.083 263 HB2 ARG 34 HB2 ARG 34 -2.824 4.915 13.345 264 HB3 ARG 34 HB3 ARG 34 -2.442 5.825 14.799 265 HG2 ARG 34 HG2 ARG 34 -1.824 7.756 13.411 266 HG3 ARG 34 HG3 ARG 34 -2.273 6.836 11.968 267 HD2 ARG 34 HD2 ARG 34 -4.551 6.624 12.795 268 HD3 ARG 34 HD3 ARG 34 -4.116 7.490 14.266 269 HH11 ARG 34 HH11 ARG 34 -6.305 7.768 13.672 270 HH12 ARG 34 HH12 ARG 34 -7.363 9.066 13.192 271 HH21 ARG 34 HH21 ARG 34 -4.892 10.847 11.469 272 HH22 ARG 34 HH22 ARG 34 -6.547 10.817 11.982 273 H ASN 35 H ASN 35 -0.767 2.737 13.158 274 HA ASN 35 HA ASN 35 -0.874 0.783 14.284 275 HB2 ASN 35 HB2 ASN 35 1.382 1.266 15.043 276 HB3 ASN 35 HB3 ASN 35 0.766 2.274 16.349 277 HD21 ASN 35 HD21 ASN 35 0.046 1.331 18.209 278 HD22 ASN 35 HD22 ASN 35 0.130 -0.376 18.518 279 H ASP 36 H ASP 36 -2.982 0.556 14.629 280 HA ASP 36 HA ASP 36 -4.145 0.727 17.170 281 HB2 ASP 36 HB2 ASP 36 -3.929 3.209 16.670 282 HB3 ASP 36 HB3 ASP 36 -5.046 2.971 15.333 283 H GLU 37 H GLU 37 -6.702 1.754 15.524 284 HA GLU 37 HA GLU 37 -7.144 -0.800 14.147 285 HB2 GLU 37 HB2 GLU 37 -9.025 1.309 15.186 286 HB3 GLU 37 HB3 GLU 37 -9.552 0.045 14.087 287 HG2 GLU 37 HG2 GLU 37 -8.811 -1.648 15.706 288 HG3 GLU 37 HG3 GLU 37 -8.355 -0.354 16.813 289 H GLN 38 H GLN 38 -6.229 2.347 13.561 290 HA GLN 38 HA GLN 38 -7.603 2.829 11.120 291 HB2 GLN 38 HB2 GLN 38 -5.107 4.051 12.287 292 HB3 GLN 38 HB3 GLN 38 -5.782 4.553 10.747 293 HG2 GLN 38 HG2 GLN 38 -6.615 6.118 12.224 294 HG3 GLN 38 HG3 GLN 38 -7.946 4.975 12.061 295 HE21 GLN 38 HE21 GLN 38 -8.507 3.677 13.792 296 HE22 GLN 38 HE22 GLN 38 -7.894 3.948 15.395 297 H VAL 39 H VAL 39 -7.411 1.345 9.602 298 HA VAL 39 HA VAL 39 -4.713 0.700 8.611 299 HB VAL 39 HB VAL 39 -5.775 -1.241 7.461 300 HG11 VAL 39 HG11 VAL 39 -6.145 -1.183 10.453 301 HG12 VAL 39 HG12 VAL 39 -4.647 -1.550 9.600 302 HG13 VAL 39 HG13 VAL 39 -6.031 -2.633 9.456 303 HG21 VAL 39 HG21 VAL 39 -8.197 -0.483 9.097 304 HG22 VAL 39 HG22 VAL 39 -8.012 -1.967 8.165 305 HG23 VAL 39 HG23 VAL 39 -8.064 -0.410 7.340 306 H TYR 40 H TYR 40 -4.288 1.036 6.414 307 HA TYR 40 HA TYR 40 -6.394 2.481 4.948 308 HD1 TYR 40 HD1 TYR 40 -6.662 5.121 5.457 309 HD2 TYR 40 HD2 TYR 40 -2.997 3.896 7.237 310 HE1 TYR 40 HE1 TYR 40 -7.125 6.567 7.390 311 HE2 TYR 40 HE2 TYR 40 -3.450 5.340 9.174 312 HH TYR 40 HH TYR 40 -6.498 6.753 9.736 313 HB2 TYR 40 HB2 TYR 40 -3.471 3.254 5.041 314 HB3 TYR 40 HB3 TYR 40 -4.733 4.067 4.126 315 H ALA 41 H ALA 41 -6.884 1.050 3.394 316 HA ALA 41 HA ALA 41 -4.689 -0.224 1.937 317 HB1 ALA 41 HB1 ALA 41 -7.629 -0.893 1.915 318 HB2 ALA 41 HB2 ALA 41 -6.392 -1.729 2.854 319 HB3 ALA 41 HB3 ALA 41 -6.352 -1.786 1.090 320 H ILE 42 H ILE 42 -4.029 1.105 0.376 321 HA ILE 42 HA ILE 42 -6.025 1.958 -1.606 322 HB ILE 42 HB ILE 42 -4.799 4.082 -1.953 323 HG12 ILE 42 HG12 ILE 42 -3.348 3.337 0.597 324 HG13 ILE 42 HG13 ILE 42 -2.630 3.369 -1.010 325 HG21 ILE 42 HG21 ILE 42 -6.800 4.126 -0.621 326 HG22 ILE 42 HG22 ILE 42 -5.615 5.226 0.083 327 HG23 ILE 42 HG23 ILE 42 -5.897 3.648 0.818 328 HD11 ILE 42 HD11 ILE 42 -2.034 5.355 0.233 329 HD12 ILE 42 HD12 ILE 42 -3.735 5.733 0.494 330 HD13 ILE 42 HD13 ILE 42 -3.061 5.781 -1.136 331 H SER 43 H SER 43 -5.150 2.195 -3.772 332 HA SER 43 HA SER 43 -3.066 0.283 -4.296 333 HG SER 43 HG SER 43 -4.710 -0.770 -5.723 334 HB2 SER 43 HB2 SER 43 -4.695 2.042 -6.137 335 HB3 SER 43 HB3 SER 43 -3.498 0.875 -6.700 336 H ASN 44 H ASN 44 -1.805 1.985 -2.830 337 HA ASN 44 HA ASN 44 -0.412 3.962 -4.481 338 HB2 ASN 44 HB2 ASN 44 -1.125 4.467 -2.108 339 HB3 ASN 44 HB3 ASN 44 0.053 3.277 -1.569 340 HD21 ASN 44 HD21 ASN 44 1.120 4.902 -0.406 341 HD22 ASN 44 HD22 ASN 44 2.157 6.037 -1.192 342 H ILE 45 H ILE 45 0.335 2.167 -5.847 343 HA ILE 45 HA ILE 45 2.582 0.652 -4.666 344 HB ILE 45 HB ILE 45 0.777 -0.340 -6.883 345 HG12 ILE 45 HG12 ILE 45 -0.558 -0.104 -4.841 346 HG13 ILE 45 HG13 ILE 45 -0.296 -1.800 -5.227 347 HG21 ILE 45 HG21 ILE 45 2.811 -1.735 -5.154 348 HG22 ILE 45 HG22 ILE 45 2.965 -1.358 -6.871 349 HG23 ILE 45 HG23 ILE 45 1.763 -2.529 -6.329 350 HD11 ILE 45 HD11 ILE 45 1.160 -0.202 -3.139 351 HD12 ILE 45 HD12 ILE 45 1.477 -1.890 -3.538 352 HD13 ILE 45 HD13 ILE 45 -0.083 -1.423 -2.857 353 H ASP 46 H ASP 46 4.438 0.640 -5.786 354 HA ASP 46 HA ASP 46 4.896 2.411 -7.930 355 HB2 ASP 46 HB2 ASP 46 6.765 1.904 -6.596 356 HB3 ASP 46 HB3 ASP 46 6.482 0.167 -6.698 357 HA PRO 47 HA PRO 47 3.503 -0.267 -11.204 358 HB2 PRO 47 HB2 PRO 47 3.696 1.468 -13.205 359 HB3 PRO 47 HB3 PRO 47 2.541 1.731 -11.893 360 HG2 PRO 47 HG2 PRO 47 5.214 2.994 -12.344 361 HG3 PRO 47 HG3 PRO 47 3.701 3.737 -11.794 362 HD2 PRO 47 HD2 PRO 47 5.777 2.922 -10.137 363 HD3 PRO 47 HD3 PRO 47 4.103 3.191 -9.620 364 H PHE 48 H PHE 48 6.606 0.201 -10.489 365 HA PHE 48 HA PHE 48 7.659 -0.583 -13.111 366 HD1 PHE 48 HD1 PHE 48 9.833 0.101 -14.252 367 HD2 PHE 48 HD2 PHE 48 11.088 -0.580 -10.244 368 HE1 PHE 48 HE1 PHE 48 12.008 -0.697 -15.073 369 HE2 PHE 48 HE2 PHE 48 13.267 -1.386 -11.059 370 HZ PHE 48 HZ PHE 48 13.729 -1.440 -13.481 371 HB2 PHE 48 HB2 PHE 48 8.819 1.289 -12.113 372 HB3 PHE 48 HB3 PHE 48 9.054 0.398 -10.614 373 H ALA 49 H ALA 49 7.957 -1.517 -9.675 374 HA ALA 49 HA ALA 49 8.634 -4.243 -10.610 375 HB1 ALA 49 HB1 ALA 49 10.527 -3.104 -9.522 376 HB2 ALA 49 HB2 ALA 49 9.991 -4.517 -8.613 377 HB3 ALA 49 HB3 ALA 49 9.549 -2.899 -8.067 378 H GLN 50 H GLN 50 6.282 -2.450 -9.295 379 HA GLN 50 HA GLN 50 4.369 -2.833 -8.194 380 HB2 GLN 50 HB2 GLN 50 5.104 -5.648 -8.932 381 HB3 GLN 50 HB3 GLN 50 3.695 -5.333 -7.931 382 HG2 GLN 50 HG2 GLN 50 3.033 -5.580 -10.222 383 HG3 GLN 50 HG3 GLN 50 2.773 -3.915 -9.709 384 HE21 GLN 50 HE21 GLN 50 4.034 -2.287 -10.588 385 HE22 GLN 50 HE22 GLN 50 4.996 -2.530 -12.005 386 H ALA 51 H ALA 51 5.565 -1.920 -6.384 387 HA ALA 51 HA ALA 51 5.194 -3.587 -4.043 388 HB1 ALA 51 HB1 ALA 51 7.908 -2.381 -4.631 389 HB2 ALA 51 HB2 ALA 51 7.525 -4.101 -4.627 390 HB3 ALA 51 HB3 ALA 51 7.429 -3.174 -3.131 391 H SER 52 H SER 52 5.027 -2.368 -2.150 392 HA SER 52 HA SER 52 4.205 0.353 -2.617 393 HG SER 52 HG SER 52 4.225 -1.677 0.807 394 HB2 SER 52 HB2 SER 52 3.734 0.157 -0.070 395 HB3 SER 52 HB3 SER 52 2.754 -0.791 -1.191 396 H VAL 53 H VAL 53 6.270 1.213 -3.186 397 HA VAL 53 HA VAL 53 8.095 1.592 -0.914 398 HB VAL 53 HB VAL 53 9.683 2.552 -2.539 399 HG11 VAL 53 HG11 VAL 53 9.825 0.188 -2.047 400 HG12 VAL 53 HG12 VAL 53 10.200 0.464 -3.747 401 HG13 VAL 53 HG13 VAL 53 8.622 -0.172 -3.285 402 HG21 VAL 53 HG21 VAL 53 8.106 3.454 -4.157 403 HG22 VAL 53 HG22 VAL 53 7.598 1.824 -4.599 404 HG23 VAL 53 HG23 VAL 53 9.241 2.361 -4.952 405 H LEU 54 H LEU 54 5.408 2.892 -1.863 406 HA LEU 54 HA LEU 54 6.236 5.685 -1.474 407 HG LEU 54 HG LEU 54 6.038 5.785 -3.936 408 HB2 LEU 54 HB2 LEU 54 3.672 4.544 -2.600 409 HB3 LEU 54 HB3 LEU 54 3.981 6.251 -2.369 410 HD11 LEU 54 HD11 LEU 54 5.566 4.084 -5.622 411 HD12 LEU 54 HD12 LEU 54 4.147 3.570 -4.708 412 HD13 LEU 54 HD13 LEU 54 5.758 3.369 -4.020 413 HD21 LEU 54 HD21 LEU 54 4.210 7.302 -4.446 414 HD22 LEU 54 HD22 LEU 54 3.200 5.943 -4.941 415 HD23 LEU 54 HD23 LEU 54 4.644 6.353 -5.867 416 H SER 55 H SER 55 5.651 3.324 0.419 417 HA SER 55 HA SER 55 3.569 4.594 2.058 418 HG SER 55 HG SER 55 4.348 0.607 1.975 419 HB2 SER 55 HB2 SER 55 3.434 2.266 3.100 420 HB3 SER 55 HB3 SER 55 2.852 2.419 1.441 421 H ARG 56 H ARG 56 6.366 2.456 2.571 422 HA ARG 56 HA ARG 56 6.786 3.519 5.217 423 HE ARG 56 HE ARG 56 8.996 -1.369 1.862 424 HB2 ARG 56 HB2 ARG 56 8.709 1.893 5.235 425 HB3 ARG 56 HB3 ARG 56 7.128 1.177 4.959 426 HG2 ARG 56 HG2 ARG 56 7.575 0.950 2.612 427 HG3 ARG 56 HG3 ARG 56 9.092 1.838 2.774 428 HD2 ARG 56 HD2 ARG 56 9.976 0.072 4.212 429 HD3 ARG 56 HD3 ARG 56 8.457 -0.810 4.069 430 HH11 ARG 56 HH11 ARG 56 11.462 0.643 3.336 431 HH12 ARG 56 HH12 ARG 56 12.672 0.251 2.145 432 HH21 ARG 56 HH21 ARG 56 10.579 -1.895 0.303 433 HH22 ARG 56 HH22 ARG 56 12.167 -1.189 0.410 434 H GLY 57 H GLY 57 7.039 5.626 3.635 435 HA2 GLY 57 HA2 GLY 57 9.950 6.032 3.325 436 HA3 GLY 57 HA3 GLY 57 8.727 6.897 2.406 437 H ILE 58 H ILE 58 8.162 8.838 3.088 438 HA ILE 58 HA ILE 58 8.944 9.623 5.821 439 HB ILE 58 HB ILE 58 8.544 11.412 3.412 440 HG12 ILE 58 HG12 ILE 58 11.118 10.560 4.765 441 HG13 ILE 58 HG13 ILE 58 10.538 9.944 3.220 442 HG21 ILE 58 HG21 ILE 58 9.544 13.152 4.823 443 HG22 ILE 58 HG22 ILE 58 9.611 12.017 6.171 444 HG23 ILE 58 HG23 ILE 58 8.052 12.524 5.522 445 HD11 ILE 58 HD11 ILE 58 11.283 12.798 3.813 446 HD12 ILE 58 HD12 ILE 58 10.705 12.179 2.264 447 HD13 ILE 58 HD13 ILE 58 12.251 11.632 2.910 448 H VAL 59 H VAL 59 7.292 9.696 7.137 449 HA VAL 59 HA VAL 59 4.596 10.114 6.214 450 HB VAL 59 HB VAL 59 5.699 9.727 9.002 451 HG11 VAL 59 HG11 VAL 59 3.369 9.323 9.672 452 HG12 VAL 59 HG12 VAL 59 2.834 9.725 8.040 453 HG13 VAL 59 HG13 VAL 59 3.590 10.958 9.049 454 HG21 VAL 59 HG21 VAL 59 4.748 7.466 8.813 455 HG22 VAL 59 HG22 VAL 59 5.999 7.764 7.606 456 HG23 VAL 59 HG23 VAL 59 4.299 7.807 7.143 457 H ALA 60 H ALA 60 3.969 12.088 5.799 458 HA ALA 60 HA ALA 60 5.105 14.328 7.325 459 HB1 ALA 60 HB1 ALA 60 5.447 14.438 4.913 460 HB2 ALA 60 HB2 ALA 60 4.394 15.743 5.461 461 HB3 ALA 60 HB3 ALA 60 3.706 14.334 4.654 462 H GLU 61 H GLU 61 3.861 15.067 8.913 463 HA GLU 61 HA GLU 61 0.947 14.853 8.663 464 HB2 GLU 61 HB2 GLU 61 2.002 14.078 10.770 465 HB3 GLU 61 HB3 GLU 61 2.634 15.697 11.035 466 HG2 GLU 61 HG2 GLU 61 0.349 16.562 11.157 467 HG3 GLU 61 HG3 GLU 61 -0.276 14.930 10.921 468 H HIS 62 H HIS 62 -0.184 16.500 7.998 469 HA HIS 62 HA HIS 62 1.091 19.152 7.920 470 HD2 HIS 62 HD2 HIS 62 -1.433 19.990 4.013 471 HE1 HIS 62 HE1 HIS 62 1.765 22.518 5.131 472 HE2 HIS 62 HE2 HIS 62 0.052 22.010 3.336 473 HB2 HIS 62 HB2 HIS 62 0.230 17.803 5.809 474 HB3 HIS 62 HB3 HIS 62 -1.329 18.441 6.308 475 H GLN 63 H GLN 63 0.479 19.443 10.150 476 HA GLN 63 HA GLN 63 -0.787 20.207 11.852 477 HB2 GLN 63 HB2 GLN 63 -2.526 21.023 9.551 478 HB3 GLN 63 HB3 GLN 63 -3.081 21.238 11.207 479 HG2 GLN 63 HG2 GLN 63 -0.567 22.390 10.017 480 HG3 GLN 63 HG3 GLN 63 -2.058 23.269 10.352 481 HE21 GLN 63 HE21 GLN 63 0.777 21.805 11.699 482 HE22 GLN 63 HE22 GLN 63 0.602 22.441 13.302 483 H ASP 64 H ASP 64 -3.395 18.994 9.777 484 HA ASP 64 HA ASP 64 -3.999 17.010 11.876 485 HB2 ASP 64 HB2 ASP 64 -5.679 18.774 11.910 486 HB3 ASP 64 HB3 ASP 64 -5.939 18.602 10.179 487 H ASP 65 H ASP 65 -3.464 17.679 8.559 488 HA ASP 65 HA ASP 65 -4.738 15.264 7.591 489 HB2 ASP 65 HB2 ASP 65 -4.516 17.588 6.395 490 HB3 ASP 65 HB3 ASP 65 -2.926 16.989 5.932 491 H LEU 66 H LEU 66 -3.601 13.550 6.558 492 HA LEU 66 HA LEU 66 -0.847 13.259 7.555 493 HG LEU 66 HG LEU 66 -3.081 12.442 9.481 494 HB2 LEU 66 HB2 LEU 66 -3.037 11.200 7.378 495 HB3 LEU 66 HB3 LEU 66 -1.353 10.787 7.639 496 HD11 LEU 66 HD11 LEU 66 -3.635 10.070 9.512 497 HD12 LEU 66 HD12 LEU 66 -2.838 10.551 11.010 498 HD13 LEU 66 HD13 LEU 66 -1.938 9.667 9.779 499 HD21 LEU 66 HD21 LEU 66 -1.164 12.352 11.012 500 HD22 LEU 66 HD22 LEU 66 -0.780 13.218 9.525 501 HD23 LEU 66 HD23 LEU 66 -0.207 11.566 9.755 502 H TRP 67 H TRP 67 0.570 13.195 6.016 503 HA TRP 67 HA TRP 67 -0.207 12.143 3.376 504 HD1 TRP 67 HD1 TRP 67 -0.266 15.508 5.447 505 HE1 TRP 67 HE1 TRP 67 -2.022 17.151 4.529 506 HE3 TRP 67 HE3 TRP 67 0.065 14.368 0.472 507 HZ2 TRP 67 HZ2 TRP 67 -3.127 17.867 2.032 508 HZ3 TRP 67 HZ3 TRP 67 -1.383 15.574 -1.111 509 HH2 TRP 67 HH2 TRP 67 -2.946 17.286 -0.345 510 HB2 TRP 67 HB2 TRP 67 1.844 14.279 4.012 511 HB3 TRP 67 HB3 TRP 67 1.383 13.728 2.407 512 H VAL 68 H VAL 68 1.610 11.263 2.122 513 HA VAL 68 HA VAL 68 3.859 10.315 3.741 514 HB VAL 68 HB VAL 68 2.192 8.500 3.702 515 HG11 VAL 68 HG11 VAL 68 2.541 8.572 0.705 516 HG12 VAL 68 HG12 VAL 68 1.081 8.990 1.600 517 HG13 VAL 68 HG13 VAL 68 1.675 7.329 1.610 518 HG21 VAL 68 HG21 VAL 68 3.681 6.729 2.925 519 HG22 VAL 68 HG22 VAL 68 4.565 7.965 3.818 520 HG23 VAL 68 HG23 VAL 68 4.651 7.918 2.056 521 H ALA 69 H ALA 69 5.760 10.306 2.697 522 HA ALA 69 HA ALA 69 5.731 10.930 -0.182 523 HB1 ALA 69 HB1 ALA 69 7.846 12.112 0.177 524 HB2 ALA 69 HB2 ALA 69 7.756 11.746 1.900 525 HB3 ALA 69 HB3 ALA 69 6.549 12.794 1.157 526 H SER 70 H SER 70 6.767 9.564 -1.499 527 HA SER 70 HA SER 70 7.921 7.156 -0.541 528 HG SER 70 HG SER 70 8.437 5.708 -2.558 529 HB2 SER 70 HB2 SER 70 6.869 7.324 -2.762 530 HB3 SER 70 HB3 SER 70 8.126 8.445 -3.278 531 HA PRO 71 HA PRO 71 11.946 8.702 0.500 532 HB2 PRO 71 HB2 PRO 71 13.287 6.330 0.499 533 HB3 PRO 71 HB3 PRO 71 12.212 6.836 1.806 534 HG2 PRO 71 HG2 PRO 71 11.660 5.000 -0.498 535 HG3 PRO 71 HG3 PRO 71 11.228 4.804 1.211 536 HD2 PRO 71 HD2 PRO 71 9.443 5.651 -0.607 537 HD3 PRO 71 HD3 PRO 71 9.440 6.270 1.056 538 H LEU 72 H LEU 72 11.448 6.581 -2.254 539 HA LEU 72 HA LEU 72 13.997 7.425 -3.426 540 HG LEU 72 HG LEU 72 13.123 4.605 -2.191 541 HB2 LEU 72 HB2 LEU 72 12.108 5.250 -4.324 542 HB3 LEU 72 HB3 LEU 72 13.695 5.580 -4.991 543 HD11 LEU 72 HD11 LEU 72 14.373 3.202 -4.548 544 HD12 LEU 72 HD12 LEU 72 12.755 2.908 -3.913 545 HD13 LEU 72 HD13 LEU 72 14.168 2.538 -2.927 546 HD21 LEU 72 HD21 LEU 72 15.074 6.057 -2.252 547 HD22 LEU 72 HD22 LEU 72 15.749 5.115 -3.582 548 HD23 LEU 72 HD23 LEU 72 15.549 4.379 -1.991 549 H LYS 73 H LYS 73 10.601 6.954 -4.430 550 HA LYS 73 HA LYS 73 11.064 8.386 -6.884 551 HB2 LYS 73 HB2 LYS 73 8.350 7.607 -5.846 552 HB3 LYS 73 HB3 LYS 73 8.892 7.737 -7.516 553 HG2 LYS 73 HG2 LYS 73 10.499 5.794 -6.850 554 HG3 LYS 73 HG3 LYS 73 9.350 5.552 -5.535 555 HD2 LYS 73 HD2 LYS 73 8.596 4.126 -7.233 556 HD3 LYS 73 HD3 LYS 73 7.555 5.547 -7.366 557 HE2 LYS 73 HE2 LYS 73 8.849 6.391 -9.202 558 HE3 LYS 73 HE3 LYS 73 10.045 5.112 -9.004 559 HZ1 LYS 73 HZ1 LYS 73 8.690 4.461 -10.786 560 HZ2 LYS 73 HZ2 LYS 73 7.259 4.877 -9.981 561 HZ3 LYS 73 HZ3 LYS 73 8.151 3.520 -9.479 562 H LYS 74 H LYS 74 10.038 9.138 -3.728 563 HA LYS 74 HA LYS 74 9.433 11.024 -2.667 564 HB2 LYS 74 HB2 LYS 74 10.746 12.290 -5.068 565 HB3 LYS 74 HB3 LYS 74 10.289 13.164 -3.612 566 HG2 LYS 74 HG2 LYS 74 11.748 11.504 -2.348 567 HG3 LYS 74 HG3 LYS 74 12.373 11.030 -3.928 568 HD2 LYS 74 HD2 LYS 74 12.429 13.825 -2.793 569 HD3 LYS 74 HD3 LYS 74 13.795 12.710 -2.824 570 HE2 LYS 74 HE2 LYS 74 13.711 12.681 -5.270 571 HE3 LYS 74 HE3 LYS 74 12.338 13.789 -5.238 572 HZ1 LYS 74 HZ1 LYS 74 13.743 15.443 -4.177 573 HZ2 LYS 74 HZ2 LYS 74 14.407 14.958 -5.661 574 HZ3 LYS 74 HZ3 LYS 74 15.064 14.379 -4.209 575 H GLN 75 H GLN 75 7.434 9.859 -4.433 576 HA GLN 75 HA GLN 75 5.803 12.119 -5.203 577 HB2 GLN 75 HB2 GLN 75 5.295 9.154 -5.003 578 HB3 GLN 75 HB3 GLN 75 4.002 10.292 -5.336 579 HG2 GLN 75 HG2 GLN 75 6.473 10.111 -7.027 580 HG3 GLN 75 HG3 GLN 75 5.039 9.130 -7.317 581 HE21 GLN 75 HE21 GLN 75 6.434 12.290 -7.504 582 HE22 GLN 75 HE22 GLN 75 5.138 13.033 -8.373 583 H HIS 76 H HIS 76 4.118 12.995 -4.003 584 HA HIS 76 HA HIS 76 4.044 12.152 -1.171 585 HD1 HIS 76 HD1 HIS 76 5.247 15.224 -3.882 586 HD2 HIS 76 HD2 HIS 76 6.579 14.432 -0.018 587 HE1 HIS 76 HE1 HIS 76 7.680 15.866 -3.854 588 HE2 HIS 76 HE2 HIS 76 8.467 15.403 -1.510 589 HB2 HIS 76 HB2 HIS 76 3.358 14.929 -2.114 590 HB3 HIS 76 HB3 HIS 76 3.828 14.405 -0.504 591 H PHE 77 H PHE 77 2.144 11.224 -0.655 592 HA PHE 77 HA PHE 77 -0.314 12.286 -1.900 593 HD1 PHE 77 HD2 PHE 77 -1.103 11.300 -4.215 594 HD2 PHE 77 HD1 PHE 77 1.913 8.646 -2.812 595 HE1 PHE 77 HE2 PHE 77 -0.273 11.032 -6.514 596 HE2 PHE 77 HE1 PHE 77 2.748 8.375 -5.108 597 HZ PHE 77 HZ PHE 77 1.652 9.567 -6.961 598 HB2 PHE 77 HB2 PHE 77 0.278 9.367 -1.358 599 HB3 PHE 77 HB3 PHE 77 -1.237 10.008 -1.980 600 H ARG 78 H ARG 78 -2.286 11.751 -0.633 601 HA ARG 78 HA ARG 78 -1.849 11.882 2.222 602 HE ARG 78 HE ARG 78 -4.929 15.962 2.312 603 HB2 ARG 78 HB2 ARG 78 -4.354 11.714 0.548 604 HB3 ARG 78 HB3 ARG 78 -4.387 11.688 2.302 605 HG2 ARG 78 HG2 ARG 78 -3.361 13.900 2.361 606 HG3 ARG 78 HG3 ARG 78 -3.325 13.928 0.595 607 HD2 ARG 78 HD2 ARG 78 -5.747 13.761 0.520 608 HD3 ARG 78 HD3 ARG 78 -5.812 13.659 2.277 609 HH11 ARG 78 HH11 ARG 78 -6.504 14.746 -0.587 610 HH12 ARG 78 HH12 ARG 78 -7.008 16.324 -1.118 611 HH21 ARG 78 HH21 ARG 78 -5.557 18.035 1.582 612 HH22 ARG 78 HH22 ARG 78 -6.436 18.204 0.095 613 H LEU 79 H LEU 79 -2.396 10.293 3.738 614 HA LEU 79 HA LEU 79 -1.893 7.622 2.928 615 HG LEU 79 HG LEU 79 -0.611 9.439 5.009 616 HB2 LEU 79 HB2 LEU 79 -2.931 8.720 5.540 617 HB3 LEU 79 HB3 LEU 79 -2.445 7.055 5.294 618 HD11 LEU 79 HD11 LEU 79 -1.302 9.122 7.324 619 HD12 LEU 79 HD12 LEU 79 0.387 8.660 7.102 620 HD13 LEU 79 HD13 LEU 79 -0.858 7.417 7.232 621 HD21 LEU 79 HD21 LEU 79 1.158 7.755 4.945 622 HD22 LEU 79 HD22 LEU 79 0.026 7.543 3.610 623 HD23 LEU 79 HD23 LEU 79 -0.053 6.474 5.011 624 H TYR 80 H TYR 80 -4.827 9.428 3.320 625 HA TYR 80 HA TYR 80 -6.377 6.979 2.847 626 HD1 TYR 80 HD2 TYR 80 -7.792 10.701 4.042 627 HD2 TYR 80 HD1 TYR 80 -5.544 8.308 6.744 628 HE1 TYR 80 HE2 TYR 80 -7.190 12.714 5.320 629 HE2 TYR 80 HE1 TYR 80 -4.934 10.310 8.024 630 HH TYR 80 HH TYR 80 -6.405 13.395 7.429 631 HB2 TYR 80 HB2 TYR 80 -8.145 8.115 4.380 632 HB3 TYR 80 HB3 TYR 80 -6.798 7.256 5.114 633 H ASP 81 H ASP 81 -5.590 8.876 0.894 634 HA ASP 81 HA ASP 81 -8.220 9.702 -0.015 635 HB2 ASP 81 HB2 ASP 81 -7.572 11.675 1.168 636 HB3 ASP 81 HB3 ASP 81 -5.970 11.656 0.441 637 H GLY 82 H GLY 82 -4.803 10.316 -0.911 638 HA2 GLY 82 HA2 GLY 82 -3.825 8.853 -2.612 639 HA3 GLY 82 HA3 GLY 82 -5.384 8.866 -3.414 640 H PHE 83 H PHE 83 -5.292 11.931 -2.600 641 HA PHE 83 HA PHE 83 -4.330 12.766 -5.164 642 HD1 PHE 83 HD1 PHE 83 -6.058 12.252 -5.566 643 HD2 PHE 83 HD2 PHE 83 -7.364 15.853 -3.714 644 HE1 PHE 83 HE1 PHE 83 -8.226 12.053 -6.716 645 HE2 PHE 83 HE2 PHE 83 -9.531 15.660 -4.862 646 HZ PHE 83 HZ PHE 83 -9.962 13.759 -6.366 647 HB2 PHE 83 HB2 PHE 83 -5.425 14.263 -2.799 648 HB3 PHE 83 HB3 PHE 83 -4.767 15.107 -4.195 649 H CYS 84 H CYS 84 -2.792 14.543 -5.449 650 HA CYS 84 HA CYS 84 -0.336 13.782 -4.098 651 HG CYS 84 HG CYS 84 -1.673 13.368 -7.547 652 HB2 CYS 84 HB2 CYS 84 -0.788 15.649 -6.432 653 HB3 CYS 84 HB3 CYS 84 0.769 15.052 -5.873 654 H LEU 85 H LEU 85 1.103 15.247 -3.132 655 HA LEU 85 HA LEU 85 -0.149 17.586 -1.937 656 HG LEU 85 HG LEU 85 2.571 18.768 -0.894 657 HB2 LEU 85 HB2 LEU 85 1.201 16.102 -0.537 658 HB3 LEU 85 HB3 LEU 85 2.596 16.380 -1.560 659 HD11 LEU 85 HD11 LEU 85 0.206 18.969 -0.336 660 HD12 LEU 85 HD12 LEU 85 1.223 19.459 1.019 661 HD13 LEU 85 HD13 LEU 85 0.429 17.883 1.036 662 HD21 LEU 85 HD21 LEU 85 4.032 17.207 0.245 663 HD22 LEU 85 HD22 LEU 85 2.735 16.764 1.355 664 HD23 LEU 85 HD23 LEU 85 3.406 18.395 1.390 665 H GLU 86 H GLU 86 2.871 16.924 -3.688 666 HA GLU 86 HA GLU 86 2.803 19.674 -4.763 667 HB2 GLU 86 HB2 GLU 86 5.240 18.079 -3.931 668 HB3 GLU 86 HB3 GLU 86 5.259 19.690 -4.630 669 HG2 GLU 86 HG2 GLU 86 3.907 19.052 -2.026 670 HG3 GLU 86 HG3 GLU 86 5.595 19.547 -2.144 671 H ASP 87 H ASP 87 1.928 16.985 -5.757 672 HA ASP 87 HA ASP 87 3.821 16.603 -7.979 673 HB2 ASP 87 HB2 ASP 87 2.255 14.379 -6.681 674 HB3 ASP 87 HB3 ASP 87 3.640 14.247 -7.759 675 H GLY 88 H GLY 88 2.730 15.049 -9.638 676 HA2 GLY 88 HA2 GLY 88 -0.130 15.100 -9.820 677 HA3 GLY 88 HA3 GLY 88 0.629 16.224 -10.942 678 H ALA 89 H ALA 89 2.269 13.319 -10.025 679 HA ALA 89 HA ALA 89 2.316 12.534 -12.812 680 HB1 ALA 89 HB1 ALA 89 4.072 10.992 -12.160 681 HB2 ALA 89 HB2 ALA 89 3.784 11.362 -10.459 682 HB3 ALA 89 HB3 ALA 89 4.401 12.611 -11.543 683 H TYR 90 H TYR 90 1.697 10.815 -9.728 684 HA TYR 90 HA TYR 90 0.416 8.683 -11.240 685 HD1 TYR 90 HD1 TYR 90 1.567 6.757 -11.341 686 HD2 TYR 90 HD2 TYR 90 3.330 8.441 -7.860 687 HE1 TYR 90 HE1 TYR 90 3.697 5.668 -11.902 688 HE2 TYR 90 HE2 TYR 90 5.468 7.360 -8.411 689 HH TYR 90 HH TYR 90 6.111 5.964 -11.436 690 HB2 TYR 90 HB2 TYR 90 1.139 8.919 -8.320 691 HB3 TYR 90 HB3 TYR 90 0.270 7.546 -8.994 692 H SER 91 H SER 91 -0.494 10.177 -8.138 693 HA SER 91 HA SER 91 -2.497 10.646 -7.201 694 HG SER 91 HG SER 91 -3.119 13.124 -9.697 695 HB2 SER 91 HB2 SER 91 -3.489 10.897 -10.055 696 HB3 SER 91 HB3 SER 91 -4.329 11.471 -8.614 697 H VAL 92 H VAL 92 -3.186 8.901 -6.125 698 HA VAL 92 HA VAL 92 -4.174 6.614 -7.692 699 HB VAL 92 HB VAL 92 -3.667 5.208 -5.739 700 HG11 VAL 92 HG11 VAL 92 -1.345 6.895 -6.662 701 HG12 VAL 92 HG12 VAL 92 -1.986 5.466 -7.474 702 HG13 VAL 92 HG13 VAL 92 -1.224 5.312 -5.891 703 HG21 VAL 92 HG21 VAL 92 -2.378 6.095 -3.866 704 HG22 VAL 92 HG22 VAL 92 -3.951 6.885 -3.985 705 HG23 VAL 92 HG23 VAL 92 -2.500 7.719 -4.544 706 H ALA 93 H ALA 93 -5.674 5.182 -6.214 707 HA ALA 93 HA ALA 93 -7.891 6.935 -5.431 708 HB1 ALA 93 HB1 ALA 93 -7.905 4.034 -6.257 709 HB2 ALA 93 HB2 ALA 93 -8.383 5.407 -7.256 710 HB3 ALA 93 HB3 ALA 93 -9.329 4.983 -5.828 711 H ALA 94 H ALA 94 -9.370 5.922 -3.726 712 HA ALA 94 HA ALA 94 -7.751 4.758 -1.571 713 HB1 ALA 94 HB1 ALA 94 -8.857 6.233 0.030 714 HB2 ALA 94 HB2 ALA 94 -9.745 7.003 -1.283 715 HB3 ALA 94 HB3 ALA 94 -7.992 7.163 -1.194 716 H TYR 95 H TYR 95 -8.571 2.848 -1.173 717 HA TYR 95 HA TYR 95 -11.374 2.266 -1.625 718 HD1 TYR 95 HD1 TYR 95 -7.567 1.367 -2.248 719 HD2 TYR 95 HD2 TYR 95 -11.245 -0.426 -3.406 720 HE1 TYR 95 HE1 TYR 95 -6.702 1.089 -4.527 721 HE2 TYR 95 HE2 TYR 95 -10.389 -0.710 -5.696 722 HH TYR 95 HH TYR 95 -7.061 -0.187 -6.484 723 HB2 TYR 95 HB2 TYR 95 -9.177 0.460 -0.577 724 HB3 TYR 95 HB3 TYR 95 -10.778 -0.049 -1.103 725 H ASP 96 H ASP 96 -12.693 1.241 0.052 726 HA ASP 96 HA ASP 96 -12.437 2.726 2.523 727 HB2 ASP 96 HB2 ASP 96 -14.602 2.117 1.105 728 HB3 ASP 96 HB3 ASP 96 -14.571 0.678 2.117 729 H THR 97 H THR 97 -12.854 1.531 4.628 730 HA THR 97 HA THR 97 -11.622 -1.119 4.747 731 HB THR 97 HB THR 97 -10.011 -0.135 6.550 732 HG1 THR 97 HG1 THR 97 -10.616 2.169 4.975 733 HG21 THR 97 HG21 THR 97 -8.275 0.275 4.870 734 HG22 THR 97 HG22 THR 97 -9.512 0.392 3.617 735 HG23 THR 97 HG23 THR 97 -9.244 -1.138 4.450 736 H GLN 98 H GLN 98 -11.906 -2.136 6.812 737 HA GLN 98 HA GLN 98 -13.084 -0.613 8.974 738 HB2 GLN 98 HB2 GLN 98 -15.073 -1.905 9.237 739 HB3 GLN 98 HB3 GLN 98 -15.042 -1.327 7.578 740 HG2 GLN 98 HG2 GLN 98 -14.417 -3.471 6.757 741 HG3 GLN 98 HG3 GLN 98 -14.112 -4.070 8.386 742 HE21 GLN 98 HE21 GLN 98 -16.535 -2.675 9.373 743 HE22 GLN 98 HE22 GLN 98 -17.865 -3.668 8.880 744 H VAL 99 H VAL 99 -13.024 -1.662 10.963 745 HA VAL 99 HA VAL 99 -11.655 -4.275 11.017 746 HB VAL 99 HB VAL 99 -11.369 -2.085 13.091 747 HG11 VAL 99 HG11 VAL 99 -11.201 -4.342 14.020 748 HG12 VAL 99 HG12 VAL 99 -9.645 -3.511 14.061 749 HG13 VAL 99 HG13 VAL 99 -9.957 -4.739 12.833 750 HG21 VAL 99 HG21 VAL 99 -9.349 -3.052 11.072 751 HG22 VAL 99 HG22 VAL 99 -9.090 -1.820 12.308 752 HG23 VAL 99 HG23 VAL 99 -10.225 -1.522 10.989 753 H THR 100 H THR 100 -13.674 -5.289 11.051 754 HA THR 100 HA THR 100 -15.524 -4.589 13.202 755 HB THR 100 HB THR 100 -16.412 -4.748 10.900 756 HG1 THR 100 HG1 THR 100 -17.998 -5.182 12.323 757 HG21 THR 100 HG21 THR 100 -14.906 -6.498 10.063 758 HG22 THR 100 HG22 THR 100 -16.598 -6.900 9.777 759 HG23 THR 100 HG23 THR 100 -15.716 -7.681 11.091 760 H ASN 101 H ASN 101 -12.950 -6.536 12.905 761 HA ASN 101 HA ASN 101 -13.767 -8.384 14.935 762 HB2 ASN 101 HB2 ASN 101 -14.577 -9.213 12.556 763 HB3 ASN 101 HB3 ASN 101 -12.890 -9.665 12.364 764 HD21 ASN 101 HD21 ASN 101 -15.402 -11.221 12.566 765 HD22 ASN 101 HD22 ASN 101 -15.123 -12.370 13.840 766 H GLY 102 H GLY 102 -11.762 -10.255 14.613 767 HA2 GLY 102 HA2 GLY 102 -9.383 -8.764 15.222 768 HA3 GLY 102 HA3 GLY 102 -9.519 -10.516 15.132 769 H ASN 103 H ASN 103 -10.807 -9.818 12.361 770 HA ASN 103 HA ASN 103 -8.253 -9.635 10.924 771 HB2 ASN 103 HB2 ASN 103 -9.458 -10.691 9.010 772 HB3 ASN 103 HB3 ASN 103 -9.374 -11.722 10.432 773 HD21 ASN 103 HD21 ASN 103 -11.229 -12.323 11.456 774 HD22 ASN 103 HD22 ASN 103 -12.814 -11.966 10.853 775 H VAL 104 H VAL 104 -8.182 -8.369 9.001 776 HA VAL 104 HA VAL 104 -9.872 -5.983 9.253 777 HB VAL 104 HB VAL 104 -7.258 -6.345 7.779 778 HG11 VAL 104 HG11 VAL 104 -7.221 -3.908 7.644 779 HG12 VAL 104 HG12 VAL 104 -8.811 -3.837 8.403 780 HG13 VAL 104 HG13 VAL 104 -8.625 -4.574 6.812 781 HG21 VAL 104 HG21 VAL 104 -6.949 -6.566 10.165 782 HG22 VAL 104 HG22 VAL 104 -7.845 -5.072 10.445 783 HG23 VAL 104 HG23 VAL 104 -6.290 -5.024 9.613 784 H GLN 105 H GLN 105 -11.161 -5.274 7.631 785 HA GLN 105 HA GLN 105 -11.035 -6.704 5.062 786 HB2 GLN 105 HB2 GLN 105 -13.543 -5.803 6.492 787 HB3 GLN 105 HB3 GLN 105 -13.485 -6.539 4.896 788 HG2 GLN 105 HG2 GLN 105 -12.453 -8.555 5.982 789 HG3 GLN 105 HG3 GLN 105 -12.827 -7.812 7.537 790 HE21 GLN 105 HE21 GLN 105 -15.007 -7.543 8.124 791 HE22 GLN 105 HE22 GLN 105 -16.263 -8.460 7.374 792 H ILE 106 H ILE 106 -11.467 -5.497 3.231 793 HA ILE 106 HA ILE 106 -11.813 -2.605 3.609 794 HB ILE 106 HB ILE 106 -10.279 -2.057 1.913 795 HG12 ILE 106 HG12 ILE 106 -10.960 -3.866 0.316 796 HG13 ILE 106 HG13 ILE 106 -9.226 -3.573 0.373 797 HG21 ILE 106 HG21 ILE 106 -9.162 -2.602 3.965 798 HG22 ILE 106 HG22 ILE 106 -8.160 -3.115 2.606 799 HG23 ILE 106 HG23 ILE 106 -9.089 -4.307 3.518 800 HD11 ILE 106 HD11 ILE 106 -8.937 -5.554 1.757 801 HD12 ILE 106 HD12 ILE 106 -9.745 -5.946 0.240 802 HD13 ILE 106 HD13 ILE 106 -10.678 -5.836 1.732 803 H SER 107 H SER 107 -12.801 -1.525 1.732 804 HA SER 107 HA SER 107 -14.770 -3.320 0.499 805 HG SER 107 HG SER 107 -16.907 -2.284 0.274 806 HB2 SER 107 HB2 SER 107 -15.582 -1.410 1.934 807 HB3 SER 107 HB3 SER 107 -14.920 -0.307 0.730 808 H ILE 108 H ILE 108 -14.526 -3.808 -1.545 809 HA ILE 108 HA ILE 108 -13.006 -1.973 -3.283 810 HB ILE 108 HB ILE 108 -13.058 -4.996 -3.422 811 HG12 ILE 108 HG12 ILE 108 -10.814 -3.121 -2.643 812 HG13 ILE 108 HG13 ILE 108 -11.747 -4.101 -1.519 813 HG21 ILE 108 HG21 ILE 108 -11.510 -2.984 -5.044 814 HG22 ILE 108 HG22 ILE 108 -12.859 -3.964 -5.618 815 HG23 ILE 108 HG23 ILE 108 -11.345 -4.736 -5.148 816 HD11 ILE 108 HD11 ILE 108 -9.984 -5.153 -3.718 817 HD12 ILE 108 HD12 ILE 108 -10.897 -6.126 -2.566 818 HD13 ILE 108 HD13 ILE 108 -9.580 -5.095 -2.003 819 H ALA 109 H ALA 109 -14.268 -1.115 -4.804 820 HA ALA 109 HA ALA 109 -16.528 -2.711 -5.797 821 HB1 ALA 109 HB1 ALA 109 -17.246 -0.740 -4.531 822 HB2 ALA 109 HB2 ALA 109 -17.711 -0.623 -6.229 823 HB3 ALA 109 HB3 ALA 109 -16.329 0.293 -5.627 824 H ASP 110 H ASP 110 -13.664 -2.359 -6.678 825 HA ASP 110 HA ASP 110 -14.071 -2.523 -9.463 826 HB2 ASP 110 HB2 ASP 110 -14.318 -0.031 -9.148 827 HB3 ASP 110 HB3 ASP 110 -12.649 0.005 -8.591 828 H SER 111 H SER 111 -12.214 -3.321 -10.490 829 HA SER 111 HA SER 111 -10.004 -3.872 -8.627 830 HG SER 111 HG SER 111 -11.103 -6.107 -7.869 831 HB2 SER 111 HB2 SER 111 -11.176 -5.767 -10.670 832 HB3 SER 111 HB3 SER 111 -9.793 -6.106 -9.629 833 H ASP 112 H ASP 112 -10.650 -4.353 -12.105 834 HA ASP 112 HA ASP 112 -9.335 -4.140 -13.937 835 HB2 ASP 112 HB2 ASP 112 -8.839 -1.828 -13.310 836 HB3 ASP 112 HB3 ASP 112 -7.587 -2.377 -12.200 837 H VAL 113 H VAL 113 -8.368 -5.932 -14.553 838 HA VAL 113 HA VAL 113 -7.213 -7.699 -12.697 839 HB VAL 113 HB VAL 113 -6.858 -7.842 -15.678 840 HG11 VAL 113 HG11 VAL 113 -6.742 -10.256 -15.297 841 HG12 VAL 113 HG12 VAL 113 -6.893 -9.984 -13.562 842 HG13 VAL 113 HG13 VAL 113 -5.474 -9.394 -14.426 843 HG21 VAL 113 HG21 VAL 113 -9.164 -8.819 -14.001 844 HG22 VAL 113 HG22 VAL 113 -8.914 -9.198 -15.706 845 HG23 VAL 113 HG23 VAL 113 -9.213 -7.533 -15.208 846 H ALA 114 H ALA 114 -5.341 -7.526 -11.776 847 HA ALA 114 HA ALA 114 -3.032 -6.517 -13.288 848 HB1 ALA 114 HB1 ALA 114 -3.437 -5.337 -11.185 849 HB2 ALA 114 HB2 ALA 114 -1.926 -6.243 -11.109 850 HB3 ALA 114 HB3 ALA 114 -3.367 -6.862 -10.302 851 H VAL 115 H VAL 115 -2.368 -8.305 -14.402 852 HA VAL 115 HA VAL 115 -2.314 -10.849 -13.001 853 HB VAL 115 HB VAL 115 -3.364 -11.007 -15.092 854 HG11 VAL 115 HG11 VAL 115 -2.544 -9.038 -16.201 855 HG12 VAL 115 HG12 VAL 115 -2.236 -10.443 -17.226 856 HG13 VAL 115 HG13 VAL 115 -0.923 -9.722 -16.297 857 HG21 VAL 115 HG21 VAL 115 -1.977 -12.904 -14.541 858 HG22 VAL 115 HG22 VAL 115 -0.591 -12.147 -15.326 859 HG23 VAL 115 HG23 VAL 115 -1.982 -12.647 -16.286 860 H ASP 116 H ASP 116 -0.647 -11.029 -11.778 861 HA ASP 116 HA ASP 116 2.001 -11.086 -13.053 862 HB2 ASP 116 HB2 ASP 116 1.837 -9.080 -11.565 863 HB3 ASP 116 HB3 ASP 116 1.483 -10.152 -10.213 864 H ASN 117 H ASN 117 2.887 -13.052 -12.876 865 HA ASN 117 HA ASN 117 1.359 -15.152 -11.838 866 HB2 ASN 117 HB2 ASN 117 2.964 -16.602 -12.668 867 HB3 ASN 117 HB3 ASN 117 3.206 -15.180 -13.671 868 HD21 ASN 117 HD21 ASN 117 4.564 -17.297 -11.350 869 HD22 ASN 117 HD22 ASN 117 6.146 -16.587 -11.297 870 H SER 118 H SER 118 1.136 -15.948 -9.898 871 HA SER 118 HA SER 118 3.142 -15.268 -7.869 872 HG SER 118 HG SER 118 1.256 -13.620 -8.348 873 HB2 SER 118 HB2 SER 118 0.177 -15.753 -7.483 874 HB3 SER 118 HB3 SER 118 1.332 -15.389 -6.201 875 H GLN 119 H GLN 119 4.302 -17.138 -8.525 876 HA GLN 119 HA GLN 119 3.203 -19.756 -8.283 877 HB2 GLN 119 HB2 GLN 119 5.192 -19.181 -9.679 878 HB3 GLN 119 HB3 GLN 119 6.101 -18.893 -8.203 879 HG2 GLN 119 HG2 GLN 119 6.741 -21.024 -8.801 880 HG3 GLN 119 HG3 GLN 119 5.484 -21.319 -7.603 881 HE21 GLN 119 HE21 GLN 119 3.376 -20.556 -9.555 882 HE22 GLN 119 HE22 GLN 119 3.221 -21.917 -10.611 883 HA PRO 120 HA PRO 120 3.237 -19.675 -3.796 884 HB2 PRO 120 HB2 PRO 120 2.543 -22.316 -3.498 885 HB3 PRO 120 HB3 PRO 120 1.384 -21.015 -3.791 886 HG2 PRO 120 HG2 PRO 120 2.586 -22.955 -5.724 887 HG3 PRO 120 HG3 PRO 120 0.912 -22.374 -5.611 888 HD2 PRO 120 HD2 PRO 120 2.628 -21.408 -7.445 889 HD3 PRO 120 HD3 PRO 120 1.403 -20.375 -6.676 890 H LEU 121 H LEU 121 5.231 -19.571 -2.976 891 HA LEU 121 HA LEU 121 7.285 -21.432 -3.709 892 HG LEU 121 HG LEU 121 7.145 -18.345 -3.866 893 HB2 LEU 121 HB2 LEU 121 7.212 -19.280 -1.595 894 HB3 LEU 121 HB3 LEU 121 8.640 -20.206 -2.017 895 HD11 LEU 121 HD11 LEU 121 8.385 -17.182 -2.102 896 HD12 LEU 121 HD12 LEU 121 9.105 -16.923 -3.692 897 HD13 LEU 121 HD13 LEU 121 9.846 -18.057 -2.559 898 HD21 LEU 121 HD21 LEU 121 9.044 -18.717 -5.383 899 HD22 LEU 121 HD22 LEU 121 8.120 -20.189 -5.091 900 HD23 LEU 121 HD23 LEU 121 9.665 -19.942 -4.279 901 HA PRO 122 HA PRO 122 6.156 -24.558 -0.720 902 HB2 PRO 122 HB2 PRO 122 8.889 -25.519 -1.345 903 HB3 PRO 122 HB3 PRO 122 7.347 -26.373 -1.448 904 HG2 PRO 122 HG2 PRO 122 8.616 -25.576 -3.655 905 HG3 PRO 122 HG3 PRO 122 6.848 -25.501 -3.535 906 HD2 PRO 122 HD2 PRO 122 8.861 -23.299 -3.276 907 HD3 PRO 122 HD3 PRO 122 7.279 -23.292 -4.084 908 H LEU 123 H LEU 123 6.267 -24.112 1.368 909 HA LEU 123 HA LEU 123 8.875 -23.417 2.532 910 HG LEU 123 HG LEU 123 9.142 -21.415 3.945 911 HB2 LEU 123 HB2 LEU 123 7.306 -21.433 2.162 912 HB3 LEU 123 HB3 LEU 123 6.271 -22.149 3.379 913 HD11 LEU 123 HD11 LEU 123 6.670 -19.727 4.316 914 HD12 LEU 123 HD12 LEU 123 8.000 -19.406 3.202 915 HD13 LEU 123 HD13 LEU 123 8.275 -19.349 4.944 916 HD21 LEU 123 HD21 LEU 123 6.759 -21.801 5.758 917 HD22 LEU 123 HD22 LEU 123 8.399 -21.391 6.260 918 HD23 LEU 123 HD23 LEU 123 8.069 -22.959 5.524 919 H GLU 124 H GLU 124 9.357 -25.078 3.796 920 HA GLU 124 HA GLU 124 7.242 -26.107 5.561 921 HB2 GLU 124 HB2 GLU 124 8.413 -28.254 5.600 922 HB3 GLU 124 HB3 GLU 124 7.965 -27.812 3.958 923 HG2 GLU 124 HG2 GLU 124 10.248 -27.095 3.516 924 HG3 GLU 124 HG3 GLU 124 10.705 -27.501 5.171 925 H HIS 125 H HIS 125 7.670 -26.259 7.711 926 HA HIS 125 HA HIS 125 10.394 -25.538 8.573 927 HD1 HIS 125 HD1 HIS 125 8.005 -23.711 12.200 928 HD2 HIS 125 HD2 HIS 125 11.694 -24.558 10.476 929 HE1 HIS 125 HE1 HIS 125 9.703 -23.382 14.029 930 HE2 HIS 125 HE2 HIS 125 11.897 -24.113 13.016 931 HB2 HIS 125 HB2 HIS 125 8.872 -23.651 9.017 932 HB3 HIS 125 HB3 HIS 125 7.797 -24.721 9.910 933 H HIS 126 H HIS 126 10.894 -27.737 8.685 934 HA HIS 126 HA HIS 126 9.365 -29.305 10.633 935 HD1 HIS 126 HD1 HIS 126 10.924 -30.003 6.419 936 HD2 HIS 126 HD2 HIS 126 13.524 -30.517 9.625 937 HE1 HIS 126 HE1 HIS 126 13.233 -29.931 5.442 938 HE2 HIS 126 HE2 HIS 126 14.788 -30.068 7.419 939 HB2 HIS 126 HB2 HIS 126 10.660 -31.261 9.791 940 HB3 HIS 126 HB3 HIS 126 9.711 -30.473 8.543 941 H HIS 127 H HIS 127 10.051 -29.373 12.657 942 HA HIS 127 HA HIS 127 12.923 -28.938 13.127 943 HD1 HIS 127 HD1 HIS 127 11.597 -28.259 17.472 944 HD2 HIS 127 HD2 HIS 127 14.476 -27.688 14.524 945 HE1 HIS 127 HE1 HIS 127 13.738 -27.751 18.700 946 HE2 HIS 127 HE2 HIS 127 15.412 -27.212 16.887 947 HB2 HIS 127 HB2 HIS 127 11.268 -27.382 14.247 948 HB3 HIS 127 HB3 HIS 127 10.726 -28.763 15.196 949 H HIS 128 H HIS 128 13.346 -31.093 12.492 950 HA HIS 128 HA HIS 128 12.659 -33.069 14.563 951 HD1 HIS 128 HD1 HIS 128 11.072 -33.785 10.253 952 HD2 HIS 128 HD2 HIS 128 10.303 -33.961 14.343 953 HE1 HIS 128 HE1 HIS 128 8.567 -33.893 10.475 954 HE2 HIS 128 HE2 HIS 128 8.136 -34.186 12.940 955 HB2 HIS 128 HB2 HIS 128 13.134 -33.538 11.609 956 HB3 HIS 128 HB3 HIS 128 13.010 -34.821 12.806 957 H HIS 129 H HIS 129 14.490 -32.476 15.761 958 HA HIS 129 HA HIS 129 16.974 -33.527 14.603 959 HD1 HIS 129 HD1 HIS 129 19.066 -31.458 17.639 960 HD2 HIS 129 HD2 HIS 129 19.386 -32.043 13.533 961 HE1 HIS 129 HE1 HIS 129 21.525 -31.705 17.175 962 HE2 HIS 129 HE2 HIS 129 21.702 -31.836 14.659 963 HB2 HIS 129 HB2 HIS 129 16.954 -30.993 14.678 964 HB3 HIS 129 HB3 HIS 129 16.888 -31.124 16.433 965 H HIS 130 H HIS 130 17.992 -34.943 15.838 966 HA HIS 130 HA HIS 130 16.892 -35.713 18.372 967 HD1 HIS 130 HD1 HIS 130 20.934 -37.332 18.760 968 HD2 HIS 130 HD2 HIS 130 17.028 -38.646 19.350 969 HE1 HIS 130 HE1 HIS 130 21.025 -38.873 20.748 970 HE2 HIS 130 HE2 HIS 130 18.636 -39.560 21.163 971 HB2 HIS 130 HB2 HIS 130 17.818 -37.395 16.853 972 HB3 HIS 130 HB3 HIS 130 19.396 -36.621 16.929 Start of MODEL 4 1 HA MET 1 HA MET 1 -20.131 -8.177 4.856 2 H1 MET 1 H1 MET 1 -21.715 -10.642 5.270 3 H2 MET 1 H2 MET 1 -22.202 -9.056 5.614 4 H3 MET 1 H3 MET 1 -20.937 -9.761 6.493 5 HB2 MET 1 HB2 MET 1 -18.496 -9.719 3.749 6 HB3 MET 1 HB3 MET 1 -18.625 -9.940 5.487 7 HG2 MET 1 HG2 MET 1 -20.073 -11.883 5.123 8 HG3 MET 1 HG3 MET 1 -19.915 -11.665 3.383 9 HE1 MET 1 HE1 MET 1 -16.862 -10.887 3.021 10 HE2 MET 1 HE2 MET 1 -17.705 -12.076 2.027 11 HE3 MET 1 HE3 MET 1 -16.152 -12.481 2.759 12 H SER 2 H SER 2 -21.102 -7.115 3.252 13 HA SER 2 HA SER 2 -22.568 -8.435 1.185 14 HG SER 2 HG SER 2 -23.158 -5.260 2.638 15 HB2 SER 2 HB2 SER 2 -21.571 -5.578 1.316 16 HB3 SER 2 HB3 SER 2 -22.784 -6.196 0.196 17 H GLN 3 H GLN 3 -19.845 -6.187 0.655 18 HA GLN 3 HA GLN 3 -18.628 -8.239 -1.058 19 HB2 GLN 3 HB2 GLN 3 -17.813 -5.820 -2.165 20 HB3 GLN 3 HB3 GLN 3 -18.953 -6.962 -2.851 21 HG2 GLN 3 HG2 GLN 3 -20.009 -4.884 -2.959 22 HG3 GLN 3 HG3 GLN 3 -20.758 -5.707 -1.596 23 HE21 GLN 3 HE21 GLN 3 -20.519 -2.856 -2.284 24 HE22 GLN 3 HE22 GLN 3 -19.784 -2.102 -0.908 25 H TRP 4 H TRP 4 -18.217 -7.224 1.727 26 HA TRP 4 HA TRP 4 -15.639 -5.984 1.770 27 HD1 TRP 4 HD1 TRP 4 -19.368 -5.932 3.543 28 HE1 TRP 4 HE1 TRP 4 -19.859 -3.472 4.124 29 HE3 TRP 4 HE3 TRP 4 -14.583 -4.313 4.312 30 HZ2 TRP 4 HZ2 TRP 4 -18.407 -1.155 4.812 31 HZ3 TRP 4 HZ3 TRP 4 -14.219 -1.961 4.927 32 HH2 TRP 4 HH2 TRP 4 -16.093 -0.413 5.172 33 HB2 TRP 4 HB2 TRP 4 -17.198 -7.446 3.913 34 HB3 TRP 4 HB3 TRP 4 -15.669 -6.621 4.194 35 H THR 5 H THR 5 -13.910 -7.015 1.033 36 HA THR 5 HA THR 5 -13.721 -9.924 1.300 37 HB THR 5 HB THR 5 -11.799 -8.078 -0.121 38 HG1 THR 5 HG1 THR 5 -14.336 -8.544 -0.743 39 HG21 THR 5 HG21 THR 5 -12.408 -11.019 -0.469 40 HG22 THR 5 HG22 THR 5 -10.983 -10.350 0.326 41 HG23 THR 5 HG23 THR 5 -11.234 -10.089 -1.400 42 H THR 6 H THR 6 -12.171 -10.919 2.559 43 HA THR 6 HA THR 6 -10.966 -9.256 4.603 44 HB THR 6 HB THR 6 -10.741 -12.255 4.299 45 HG1 THR 6 HG1 THR 6 -12.934 -11.750 4.417 46 HG21 THR 6 HG21 THR 6 -9.169 -11.283 5.880 47 HG22 THR 6 HG22 THR 6 -10.421 -12.174 6.744 48 HG23 THR 6 HG23 THR 6 -10.477 -10.412 6.679 49 H VAL 7 H VAL 7 -8.909 -8.589 4.627 50 HA VAL 7 HA VAL 7 -7.065 -9.644 2.614 51 HB VAL 7 HB VAL 7 -6.687 -7.300 4.489 52 HG11 VAL 7 HG11 VAL 7 -5.142 -8.149 2.041 53 HG12 VAL 7 HG12 VAL 7 -4.583 -8.241 3.712 54 HG13 VAL 7 HG13 VAL 7 -4.871 -6.671 2.963 55 HG21 VAL 7 HG21 VAL 7 -7.178 -5.888 2.558 56 HG22 VAL 7 HG22 VAL 7 -8.552 -6.918 2.963 57 HG23 VAL 7 HG23 VAL 7 -7.518 -7.322 1.591 58 H CYS 8 H CYS 8 -6.521 -8.481 5.914 59 HA CYS 8 HA CYS 8 -5.435 -11.028 6.770 60 HG CYS 8 HG CYS 8 -4.067 -10.873 4.421 61 HB2 CYS 8 HB2 CYS 8 -3.714 -8.535 6.628 62 HB3 CYS 8 HB3 CYS 8 -3.258 -10.028 7.438 63 H LYS 9 H LYS 9 -4.292 -10.376 9.115 64 HA LYS 9 HA LYS 9 -6.513 -9.414 10.682 65 HB2 LYS 9 HB2 LYS 9 -3.713 -9.954 11.660 66 HB3 LYS 9 HB3 LYS 9 -5.181 -9.901 12.612 67 HG2 LYS 9 HG2 LYS 9 -5.937 -11.968 11.629 68 HG3 LYS 9 HG3 LYS 9 -4.525 -12.000 10.561 69 HD2 LYS 9 HD2 LYS 9 -3.063 -12.022 12.540 70 HD3 LYS 9 HD3 LYS 9 -4.487 -12.066 13.575 71 HE2 LYS 9 HE2 LYS 9 -5.122 -14.212 12.648 72 HE3 LYS 9 HE3 LYS 9 -3.754 -14.158 11.537 73 HZ1 LYS 9 HZ1 LYS 9 -3.602 -14.276 14.499 74 HZ2 LYS 9 HZ2 LYS 9 -2.265 -14.128 13.472 75 HZ3 LYS 9 HZ3 LYS 9 -3.221 -15.531 13.425 76 H LEU 10 H LEU 10 -6.321 -7.662 12.256 77 HA LEU 10 HA LEU 10 -4.776 -5.388 11.433 78 HG LEU 10 HG LEU 10 -4.674 -4.094 14.317 79 HB2 LEU 10 HB2 LEU 10 -6.923 -5.151 12.600 80 HB3 LEU 10 HB3 LEU 10 -6.262 -5.966 14.003 81 HD11 LEU 10 HD11 LEU 10 -4.535 -3.318 12.017 82 HD12 LEU 10 HD12 LEU 10 -5.031 -2.008 13.089 83 HD13 LEU 10 HD13 LEU 10 -6.224 -2.814 12.071 84 HD21 LEU 10 HD21 LEU 10 -6.772 -4.135 15.536 85 HD22 LEU 10 HD22 LEU 10 -7.585 -3.322 14.200 86 HD23 LEU 10 HD23 LEU 10 -6.336 -2.478 15.115 87 H ASP 11 H ASP 11 -4.245 -8.170 13.289 88 HA ASP 11 HA ASP 11 -1.993 -7.104 14.796 89 HB2 ASP 11 HB2 ASP 11 -3.346 -8.571 16.068 90 HB3 ASP 11 HB3 ASP 11 -3.449 -9.745 14.763 91 H ASP 12 H ASP 12 -2.670 -8.924 11.944 92 HA ASP 12 HA ASP 12 -0.084 -10.140 11.690 93 HB2 ASP 12 HB2 ASP 12 -2.108 -11.138 10.684 94 HB3 ASP 12 HB3 ASP 12 -2.261 -9.742 9.623 95 H ILE 13 H ILE 13 -1.503 -7.117 10.942 96 HA ILE 13 HA ILE 13 0.742 -6.334 9.234 97 HB ILE 13 HB ILE 13 -1.638 -4.643 10.013 98 HG12 ILE 13 HG12 ILE 13 -1.293 -6.350 7.531 99 HG13 ILE 13 HG13 ILE 13 -2.342 -6.757 8.885 100 HG21 ILE 13 HG21 ILE 13 0.341 -4.462 7.734 101 HG22 ILE 13 HG22 ILE 13 0.290 -3.417 9.153 102 HG23 ILE 13 HG23 ILE 13 -1.032 -3.386 7.988 103 HD11 ILE 13 HD11 ILE 13 -3.601 -5.813 7.037 104 HD12 ILE 13 HD12 ILE 13 -2.622 -4.347 7.107 105 HD13 ILE 13 HD13 ILE 13 -3.676 -4.766 8.455 106 H LEU 14 H LEU 14 2.484 -5.819 10.383 107 HA LEU 14 HA LEU 14 2.376 -5.092 13.127 108 HG LEU 14 HG LEU 14 3.772 -7.334 11.442 109 HB2 LEU 14 HB2 LEU 14 4.685 -5.061 11.190 110 HB3 LEU 14 HB3 LEU 14 4.820 -4.927 12.929 111 HD11 LEU 14 HD11 LEU 14 6.393 -6.867 12.856 112 HD12 LEU 14 HD12 LEU 14 6.159 -7.014 11.114 113 HD13 LEU 14 HD13 LEU 14 5.853 -8.396 12.167 114 HD21 LEU 14 HD21 LEU 14 2.745 -7.077 13.647 115 HD22 LEU 14 HD22 LEU 14 4.343 -6.933 14.380 116 HD23 LEU 14 HD23 LEU 14 3.855 -8.446 13.617 117 HA PRO 15 HA PRO 15 2.299 -0.646 12.975 118 HB2 PRO 15 HB2 PRO 15 4.265 -0.789 15.189 119 HB3 PRO 15 HB3 PRO 15 2.684 0.000 15.136 120 HG2 PRO 15 HG2 PRO 15 3.042 -2.256 16.511 121 HG3 PRO 15 HG3 PRO 15 1.544 -1.968 15.605 122 HD2 PRO 15 HD2 PRO 15 3.895 -3.677 14.892 123 HD3 PRO 15 HD3 PRO 15 2.161 -3.998 14.673 124 H GLY 16 H GLY 16 3.349 0.437 11.455 125 HA2 GLY 16 HA2 GLY 16 5.242 1.739 10.806 126 HA3 GLY 16 HA3 GLY 16 6.283 0.532 11.546 127 H THR 17 H THR 17 3.559 -0.184 9.418 128 HA THR 17 HA THR 17 5.476 -0.968 7.335 129 HB THR 17 HB THR 17 4.234 -3.054 6.914 130 HG1 THR 17 HG1 THR 17 2.965 -2.704 9.430 131 HG21 THR 17 HG21 THR 17 5.283 -2.804 9.733 132 HG22 THR 17 HG22 THR 17 6.239 -3.151 8.292 133 HG23 THR 17 HG23 THR 17 5.043 -4.317 8.859 134 H GLY 18 H GLY 18 4.155 -1.757 5.351 135 HA2 GLY 18 HA2 GLY 18 1.589 -0.825 4.790 136 HA3 GLY 18 HA3 GLY 18 2.728 0.435 4.322 137 H VAL 19 H VAL 19 1.498 -2.728 3.597 138 HA VAL 19 HA VAL 19 3.353 -2.886 1.328 139 HB VAL 19 HB VAL 19 3.233 -5.357 1.486 140 HG11 VAL 19 HG11 VAL 19 4.274 -3.953 3.947 141 HG12 VAL 19 HG12 VAL 19 5.136 -4.169 2.424 142 HG13 VAL 19 HG13 VAL 19 4.736 -5.571 3.416 143 HG21 VAL 19 HG21 VAL 19 1.133 -5.581 2.680 144 HG22 VAL 19 HG22 VAL 19 1.823 -4.788 4.095 145 HG23 VAL 19 HG23 VAL 19 2.426 -6.366 3.586 146 H CYS 20 H CYS 20 2.655 -3.803 -0.618 147 HA CYS 20 HA CYS 20 -0.129 -3.451 -1.181 148 HG CYS 20 HG CYS 20 2.860 -5.529 -3.861 149 HB2 CYS 20 HB2 CYS 20 0.628 -4.362 -3.461 150 HB3 CYS 20 HB3 CYS 20 1.309 -2.826 -2.927 151 H ALA 21 H ALA 21 -1.383 -4.926 -0.171 152 HA ALA 21 HA ALA 21 -0.777 -7.747 -0.251 153 HB1 ALA 21 HB1 ALA 21 -3.270 -6.303 0.648 154 HB2 ALA 21 HB2 ALA 21 -1.925 -6.788 1.681 155 HB3 ALA 21 HB3 ALA 21 -2.923 -8.013 0.898 156 H LEU 22 H LEU 22 -1.373 -9.128 -1.801 157 HA LEU 22 HA LEU 22 -2.780 -8.105 -4.094 158 HG LEU 22 HG LEU 22 -1.400 -10.861 -6.113 159 HB2 LEU 22 HB2 LEU 22 -0.798 -9.709 -4.147 160 HB3 LEU 22 HB3 LEU 22 -1.915 -10.958 -3.637 161 HD11 LEU 22 HD11 LEU 22 -4.296 -10.576 -5.327 162 HD12 LEU 22 HD12 LEU 22 -3.346 -12.061 -5.250 163 HD13 LEU 22 HD13 LEU 22 -3.685 -11.310 -6.809 164 HD21 LEU 22 HD21 LEU 22 -2.596 -9.200 -7.441 165 HD22 LEU 22 HD22 LEU 22 -1.420 -8.441 -6.366 166 HD23 LEU 22 HD23 LEU 22 -3.135 -8.403 -5.961 167 H VAL 23 H VAL 23 -4.890 -7.934 -4.053 168 HA VAL 23 HA VAL 23 -6.453 -10.187 -2.969 169 HB VAL 23 HB VAL 23 -7.299 -7.279 -3.064 170 HG11 VAL 23 HG11 VAL 23 -8.689 -9.702 -1.920 171 HG12 VAL 23 HG12 VAL 23 -9.176 -8.803 -3.357 172 HG13 VAL 23 HG13 VAL 23 -9.246 -8.034 -1.771 173 HG21 VAL 23 HG21 VAL 23 -6.568 -8.993 -0.692 174 HG22 VAL 23 HG22 VAL 23 -7.163 -7.334 -0.628 175 HG23 VAL 23 HG23 VAL 23 -5.594 -7.681 -1.355 176 H GLU 24 H GLU 24 -7.066 -11.330 -4.661 177 HA GLU 24 HA GLU 24 -8.102 -11.960 -6.567 178 HB2 GLU 24 HB2 GLU 24 -9.200 -9.146 -6.598 179 HB3 GLU 24 HB3 GLU 24 -9.773 -10.476 -7.595 180 HG2 GLU 24 HG2 GLU 24 -9.906 -10.290 -4.595 181 HG3 GLU 24 HG3 GLU 24 -11.252 -10.149 -5.726 182 H GLN 25 H GLN 25 -7.653 -8.591 -7.522 183 HA GLN 25 HA GLN 25 -5.523 -9.393 -9.377 184 HB2 GLN 25 HB2 GLN 25 -6.598 -8.173 -11.213 185 HB3 GLN 25 HB3 GLN 25 -7.646 -9.463 -10.635 186 HG2 GLN 25 HG2 GLN 25 -8.910 -7.814 -9.316 187 HG3 GLN 25 HG3 GLN 25 -7.890 -6.536 -9.972 188 HE21 GLN 25 HE21 GLN 25 -9.010 -9.305 -11.809 189 HE22 GLN 25 HE22 GLN 25 -10.070 -8.412 -12.846 190 H GLN 26 H GLN 26 -6.404 -7.504 -6.922 191 HA GLN 26 HA GLN 26 -5.104 -5.076 -7.947 192 HB2 GLN 26 HB2 GLN 26 -7.226 -5.373 -5.814 193 HB3 GLN 26 HB3 GLN 26 -6.459 -3.863 -6.275 194 HG2 GLN 26 HG2 GLN 26 -8.022 -5.577 -8.183 195 HG3 GLN 26 HG3 GLN 26 -8.726 -4.258 -7.251 196 HE21 GLN 26 HE21 GLN 26 -6.441 -2.537 -7.430 197 HE22 GLN 26 HE22 GLN 26 -6.386 -1.953 -9.058 198 H GLN 27 H GLN 27 -3.257 -4.501 -6.985 199 HA GLN 27 HA GLN 27 -2.534 -5.685 -4.431 200 HB2 GLN 27 HB2 GLN 27 -1.034 -3.917 -6.361 201 HB3 GLN 27 HB3 GLN 27 -0.417 -4.288 -4.757 202 HG2 GLN 27 HG2 GLN 27 -0.638 -6.723 -5.371 203 HG3 GLN 27 HG3 GLN 27 -0.927 -6.185 -7.024 204 HE21 GLN 27 HE21 GLN 27 0.760 -5.315 -8.208 205 HE22 GLN 27 HE22 GLN 27 2.407 -5.420 -7.695 206 H ILE 28 H ILE 28 -3.199 -4.796 -2.641 207 HA ILE 28 HA ILE 28 -3.868 -1.922 -2.640 208 HB ILE 28 HB ILE 28 -4.932 -4.134 -0.867 209 HG12 ILE 28 HG12 ILE 28 -6.270 -2.657 -3.147 210 HG13 ILE 28 HG13 ILE 28 -5.686 -4.315 -3.220 211 HG21 ILE 28 HG21 ILE 28 -5.725 -1.237 -1.108 212 HG22 ILE 28 HG22 ILE 28 -4.925 -1.998 0.267 213 HG23 ILE 28 HG23 ILE 28 -6.577 -2.452 -0.154 214 HD11 ILE 28 HD11 ILE 28 -7.878 -3.296 -1.430 215 HD12 ILE 28 HD12 ILE 28 -7.292 -4.959 -1.499 216 HD13 ILE 28 HD13 ILE 28 -8.088 -4.244 -2.903 217 H ALA 29 H ALA 29 -2.504 -0.686 -1.566 218 HA ALA 29 HA ALA 29 -0.559 -1.794 0.251 219 HB1 ALA 29 HB1 ALA 29 0.083 -0.019 -1.303 220 HB2 ALA 29 HB2 ALA 29 0.304 0.501 0.369 221 HB3 ALA 29 HB3 ALA 29 -1.087 1.068 -0.557 222 H VAL 30 H VAL 30 -0.905 -2.075 2.342 223 HA VAL 30 HA VAL 30 -3.151 -0.619 3.594 224 HB VAL 30 HB VAL 30 -1.651 -2.978 4.749 225 HG11 VAL 30 HG11 VAL 30 -2.895 -1.620 6.353 226 HG12 VAL 30 HG12 VAL 30 -3.628 -3.212 6.158 227 HG13 VAL 30 HG13 VAL 30 -4.356 -1.806 5.382 228 HG21 VAL 30 HG21 VAL 30 -2.634 -3.669 2.636 229 HG22 VAL 30 HG22 VAL 30 -4.188 -2.988 3.114 230 HG23 VAL 30 HG23 VAL 30 -3.527 -4.374 3.983 231 H PHE 31 H PHE 31 -2.520 1.205 4.534 232 HA PHE 31 HA PHE 31 0.197 1.592 5.420 233 HD1 PHE 31 HD1 PHE 31 0.824 3.112 3.594 234 HD2 PHE 31 HD2 PHE 31 -3.300 4.086 3.957 235 HE1 PHE 31 HE1 PHE 31 0.747 3.664 1.197 236 HE2 PHE 31 HE2 PHE 31 -3.385 4.639 1.564 237 HZ PHE 31 HZ PHE 31 -1.360 4.427 0.181 238 HB2 PHE 31 HB2 PHE 31 -2.158 3.446 5.818 239 HB3 PHE 31 HB3 PHE 31 -0.450 3.865 5.864 240 H ARG 32 H ARG 32 0.905 0.944 7.351 241 HA ARG 32 HA ARG 32 -0.922 1.236 9.635 242 HE ARG 32 HE ARG 32 -1.862 -0.681 13.617 243 HB2 ARG 32 HB2 ARG 32 -0.225 -1.206 8.652 244 HB3 ARG 32 HB3 ARG 32 1.049 -0.946 9.838 245 HG2 ARG 32 HG2 ARG 32 -1.918 -0.915 10.342 246 HG3 ARG 32 HG3 ARG 32 -0.766 -2.152 10.852 247 HD2 ARG 32 HD2 ARG 32 0.114 -0.837 12.511 248 HD3 ARG 32 HD3 ARG 32 -0.290 0.665 11.683 249 HH11 ARG 32 HH11 ARG 32 -2.137 1.190 10.661 250 HH12 ARG 32 HH12 ARG 32 -3.724 1.782 11.040 251 HH21 ARG 32 HH21 ARG 32 -3.956 0.102 14.096 252 HH22 ARG 32 HH22 ARG 32 -4.761 1.137 12.947 253 HA PRO 33 HA PRO 33 3.082 3.281 10.632 254 HB2 PRO 33 HB2 PRO 33 1.791 5.770 11.044 255 HB3 PRO 33 HB3 PRO 33 2.817 5.313 9.687 256 HG2 PRO 33 HG2 PRO 33 0.084 5.856 9.555 257 HG3 PRO 33 HG3 PRO 33 1.036 5.017 8.320 258 HD2 PRO 33 HD2 PRO 33 -0.755 3.893 10.424 259 HD3 PRO 33 HD3 PRO 33 -0.455 3.319 8.768 260 H ARG 34 H ARG 34 -0.099 3.640 12.138 261 HA ARG 34 HA ARG 34 1.111 4.374 14.690 262 HE ARG 34 HE ARG 34 -1.315 8.581 13.467 263 HB2 ARG 34 HB2 ARG 34 -1.767 4.199 13.797 264 HB3 ARG 34 HB3 ARG 34 -1.277 4.611 15.432 265 HG2 ARG 34 HG2 ARG 34 -0.051 6.563 14.501 266 HG3 ARG 34 HG3 ARG 34 -0.738 6.175 12.921 267 HD2 ARG 34 HD2 ARG 34 -2.996 6.384 13.872 268 HD3 ARG 34 HD3 ARG 34 -2.287 6.812 15.427 269 HH11 ARG 34 HH11 ARG 34 -4.242 7.827 15.227 270 HH12 ARG 34 HH12 ARG 34 -4.941 9.403 15.009 271 HH21 ARG 34 HH21 ARG 34 -2.190 10.665 13.219 272 HH22 ARG 34 HH22 ARG 34 -3.746 11.034 13.901 273 H ASN 35 H ASN 35 -0.222 3.370 16.623 274 HA ASN 35 HA ASN 35 -0.234 0.442 16.259 275 HB2 ASN 35 HB2 ASN 35 0.355 2.128 18.698 276 HB3 ASN 35 HB3 ASN 35 0.036 0.400 18.790 277 HD21 ASN 35 HD21 ASN 35 2.010 -0.204 19.505 278 HD22 ASN 35 HD22 ASN 35 3.452 -0.092 18.548 279 H ASP 36 H ASP 36 -2.322 2.558 15.859 280 HA ASP 36 HA ASP 36 -4.300 2.065 17.911 281 HB2 ASP 36 HB2 ASP 36 -3.999 4.291 16.776 282 HB3 ASP 36 HB3 ASP 36 -4.582 3.559 15.286 283 H GLU 37 H GLU 37 -6.646 1.954 16.248 284 HA GLU 37 HA GLU 37 -6.311 -0.707 15.062 285 HB2 GLU 37 HB2 GLU 37 -8.636 0.436 16.613 286 HB3 GLU 37 HB3 GLU 37 -8.669 -1.102 15.766 287 HG2 GLU 37 HG2 GLU 37 -6.847 -1.926 17.175 288 HG3 GLU 37 HG3 GLU 37 -6.813 -0.380 18.022 289 H GLN 38 H GLN 38 -6.832 2.448 14.274 290 HA GLN 38 HA GLN 38 -8.786 2.118 12.223 291 HB2 GLN 38 HB2 GLN 38 -7.814 4.280 11.323 292 HB3 GLN 38 HB3 GLN 38 -8.447 4.341 12.957 293 HG2 GLN 38 HG2 GLN 38 -6.503 5.550 13.133 294 HG3 GLN 38 HG3 GLN 38 -5.998 3.956 13.680 295 HE21 GLN 38 HE21 GLN 38 -5.793 6.319 11.125 296 HE22 GLN 38 HE22 GLN 38 -4.442 5.612 10.314 297 H VAL 39 H VAL 39 -8.407 2.066 9.915 298 HA VAL 39 HA VAL 39 -5.732 1.155 9.139 299 HB VAL 39 HB VAL 39 -6.757 -0.623 7.686 300 HG11 VAL 39 HG11 VAL 39 -7.078 -0.961 10.666 301 HG12 VAL 39 HG12 VAL 39 -5.589 -1.180 9.747 302 HG13 VAL 39 HG13 VAL 39 -6.954 -2.267 9.488 303 HG21 VAL 39 HG21 VAL 39 -9.061 0.176 7.697 304 HG22 VAL 39 HG22 VAL 39 -9.175 -0.143 9.428 305 HG23 VAL 39 HG23 VAL 39 -8.968 -1.480 8.298 306 H TYR 40 H TYR 40 -5.155 1.520 7.035 307 HA TYR 40 HA TYR 40 -7.125 2.708 5.235 308 HD1 TYR 40 HD1 TYR 40 -7.622 5.193 4.497 309 HD2 TYR 40 HD2 TYR 40 -5.077 5.164 7.907 310 HE1 TYR 40 HE1 TYR 40 -8.993 6.949 5.530 311 HE2 TYR 40 HE2 TYR 40 -6.448 6.919 8.949 312 HH TYR 40 HH TYR 40 -7.995 8.710 8.237 313 HB2 TYR 40 HB2 TYR 40 -4.482 3.911 6.025 314 HB3 TYR 40 HB3 TYR 40 -5.213 4.269 4.464 315 H ALA 41 H ALA 41 -7.206 1.026 3.864 316 HA ALA 41 HA ALA 41 -4.683 0.202 2.608 317 HB1 ALA 41 HB1 ALA 41 -5.720 -1.963 2.146 318 HB2 ALA 41 HB2 ALA 41 -7.190 -1.435 2.966 319 HB3 ALA 41 HB3 ALA 41 -5.691 -1.624 3.877 320 H ILE 42 H ILE 42 -4.553 1.287 0.763 321 HA ILE 42 HA ILE 42 -6.844 1.163 -1.084 322 HB ILE 42 HB ILE 42 -6.371 3.411 -1.908 323 HG12 ILE 42 HG12 ILE 42 -4.409 3.636 0.384 324 HG13 ILE 42 HG13 ILE 42 -3.957 3.439 -1.306 325 HG21 ILE 42 HG21 ILE 42 -6.820 3.345 1.075 326 HG22 ILE 42 HG22 ILE 42 -8.054 3.171 -0.172 327 HG23 ILE 42 HG23 ILE 42 -7.197 4.701 0.012 328 HD11 ILE 42 HD11 ILE 42 -5.066 5.568 -1.821 329 HD12 ILE 42 HD12 ILE 42 -3.756 5.743 -0.653 330 HD13 ILE 42 HD13 ILE 42 -5.433 5.767 -0.108 331 H SER 43 H SER 43 -6.127 1.528 -3.391 332 HA SER 43 HA SER 43 -3.747 -0.013 -3.868 333 HG SER 43 HG SER 43 -5.467 -1.259 -4.702 334 HB2 SER 43 HB2 SER 43 -5.637 1.335 -5.810 335 HB3 SER 43 HB3 SER 43 -4.343 0.220 -6.256 336 H ASN 44 H ASN 44 -2.548 1.742 -2.642 337 HA ASN 44 HA ASN 44 -1.686 3.945 -4.388 338 HB2 ASN 44 HB2 ASN 44 -2.261 4.397 -1.972 339 HB3 ASN 44 HB3 ASN 44 -0.878 3.407 -1.519 340 HD21 ASN 44 HD21 ASN 44 0.172 5.102 -0.510 341 HD22 ASN 44 HD22 ASN 44 0.886 6.407 -1.389 342 H ILE 45 H ILE 45 -0.658 2.470 -5.851 343 HA ILE 45 HA ILE 45 1.835 1.289 -4.801 344 HB ILE 45 HB ILE 45 0.073 0.099 -6.954 345 HG12 ILE 45 HG12 ILE 45 -1.029 -0.070 -4.786 346 HG13 ILE 45 HG13 ILE 45 -0.453 -1.654 -5.294 347 HG21 ILE 45 HG21 ILE 45 1.517 -1.856 -6.773 348 HG22 ILE 45 HG22 ILE 45 2.504 -1.028 -5.570 349 HG23 ILE 45 HG23 ILE 45 2.441 -0.424 -7.225 350 HD11 ILE 45 HD11 ILE 45 0.875 0.159 -3.295 351 HD12 ILE 45 HD12 ILE 45 1.469 -1.422 -3.806 352 HD13 ILE 45 HD13 ILE 45 -0.059 -1.293 -2.935 353 H ASP 46 H ASP 46 3.637 1.674 -5.944 354 HA ASP 46 HA ASP 46 3.494 3.284 -8.348 355 HB2 ASP 46 HB2 ASP 46 5.245 3.868 -6.830 356 HB3 ASP 46 HB3 ASP 46 5.789 2.198 -6.713 357 HA PRO 47 HA PRO 47 3.339 -0.480 -10.723 358 HB2 PRO 47 HB2 PRO 47 3.016 0.643 -13.144 359 HB3 PRO 47 HB3 PRO 47 1.723 0.619 -11.938 360 HG2 PRO 47 HG2 PRO 47 3.604 2.835 -12.654 361 HG3 PRO 47 HG3 PRO 47 1.858 2.903 -12.352 362 HD2 PRO 47 HD2 PRO 47 3.730 3.589 -10.489 363 HD3 PRO 47 HD3 PRO 47 2.129 2.948 -10.072 364 H PHE 48 H PHE 48 5.873 1.666 -10.582 365 HA PHE 48 HA PHE 48 7.344 0.567 -12.838 366 HD1 PHE 48 HD1 PHE 48 8.483 2.534 -14.426 367 HD2 PHE 48 HD2 PHE 48 10.618 2.102 -10.772 368 HE1 PHE 48 HE1 PHE 48 10.605 2.624 -15.660 369 HE2 PHE 48 HE2 PHE 48 12.747 2.191 -12.003 370 HZ PHE 48 HZ PHE 48 12.740 2.452 -14.453 371 HB2 PHE 48 HB2 PHE 48 7.454 3.008 -12.197 372 HB3 PHE 48 HB3 PHE 48 8.308 2.519 -10.738 373 H ALA 49 H ALA 49 7.163 0.352 -9.361 374 HA ALA 49 HA ALA 49 9.281 -1.701 -9.386 375 HB1 ALA 49 HB1 ALA 49 8.148 -0.186 -7.032 376 HB2 ALA 49 HB2 ALA 49 9.666 0.185 -7.849 377 HB3 ALA 49 HB3 ALA 49 9.479 -1.343 -6.986 378 H GLN 50 H GLN 50 5.968 -1.077 -9.003 379 HA GLN 50 HA GLN 50 4.146 -2.353 -8.747 380 HB2 GLN 50 HB2 GLN 50 6.054 -4.654 -9.209 381 HB3 GLN 50 HB3 GLN 50 4.300 -4.779 -9.227 382 HG2 GLN 50 HG2 GLN 50 4.271 -3.138 -11.099 383 HG3 GLN 50 HG3 GLN 50 6.030 -3.222 -11.131 384 HE21 GLN 50 HE21 GLN 50 6.098 -4.036 -13.196 385 HE22 GLN 50 HE22 GLN 50 5.603 -5.653 -13.590 386 H ALA 51 H ALA 51 5.543 -1.526 -6.477 387 HA ALA 51 HA ALA 51 4.414 -3.348 -4.495 388 HB1 ALA 51 HB1 ALA 51 6.443 -3.364 -3.137 389 HB2 ALA 51 HB2 ALA 51 7.303 -2.448 -4.375 390 HB3 ALA 51 HB3 ALA 51 6.756 -4.090 -4.713 391 H SER 52 H SER 52 4.441 -2.286 -2.338 392 HA SER 52 HA SER 52 3.498 0.395 -2.643 393 HG SER 52 HG SER 52 4.012 -1.486 0.803 394 HB2 SER 52 HB2 SER 52 3.145 0.166 -0.129 395 HB3 SER 52 HB3 SER 52 2.286 -0.991 -1.149 396 H VAL 53 H VAL 53 5.576 1.274 -3.394 397 HA VAL 53 HA VAL 53 7.519 1.768 -1.269 398 HB VAL 53 HB VAL 53 8.855 2.922 -2.955 399 HG11 VAL 53 HG11 VAL 53 7.808 0.253 -3.895 400 HG12 VAL 53 HG12 VAL 53 9.132 0.525 -2.763 401 HG13 VAL 53 HG13 VAL 53 9.298 1.011 -4.451 402 HG21 VAL 53 HG21 VAL 53 8.132 2.960 -5.317 403 HG22 VAL 53 HG22 VAL 53 7.102 3.939 -4.275 404 HG23 VAL 53 HG23 VAL 53 6.552 2.355 -4.823 405 H LEU 54 H LEU 54 4.683 3.021 -2.374 406 HA LEU 54 HA LEU 54 5.244 5.817 -1.896 407 HG LEU 54 HG LEU 54 4.172 4.275 -4.415 408 HB2 LEU 54 HB2 LEU 54 2.660 4.367 -2.489 409 HB3 LEU 54 HB3 LEU 54 2.835 6.108 -2.421 410 HD11 LEU 54 HD11 LEU 54 1.919 6.247 -4.732 411 HD12 LEU 54 HD12 LEU 54 1.794 4.491 -4.819 412 HD13 LEU 54 HD13 LEU 54 2.709 5.369 -6.043 413 HD21 LEU 54 HD21 LEU 54 5.562 6.207 -3.879 414 HD22 LEU 54 HD22 LEU 54 4.203 7.282 -4.210 415 HD23 LEU 54 HD23 LEU 54 4.907 6.325 -5.513 416 H SER 55 H SER 55 5.041 3.346 0.090 417 HA SER 55 HA SER 55 3.734 4.900 2.213 418 HG SER 55 HG SER 55 3.799 0.971 2.041 419 HB2 SER 55 HB2 SER 55 3.122 2.600 3.172 420 HB3 SER 55 HB3 SER 55 2.213 3.143 1.758 421 H ARG 56 H ARG 56 6.596 4.048 1.145 422 HA ARG 56 HA ARG 56 7.647 3.130 3.739 423 HE ARG 56 HE ARG 56 7.063 -0.925 0.563 424 HB2 ARG 56 HB2 ARG 56 8.902 2.914 0.995 425 HB3 ARG 56 HB3 ARG 56 9.597 2.311 2.493 426 HG2 ARG 56 HG2 ARG 56 7.764 0.739 2.735 427 HG3 ARG 56 HG3 ARG 56 7.019 1.363 1.263 428 HD2 ARG 56 HD2 ARG 56 9.081 0.712 0.027 429 HD3 ARG 56 HD3 ARG 56 9.668 -0.054 1.501 430 HH11 ARG 56 HH11 ARG 56 10.511 -1.490 0.592 431 HH12 ARG 56 HH12 ARG 56 10.373 -3.173 0.163 432 HH21 ARG 56 HH21 ARG 56 6.871 -3.145 -0.014 433 HH22 ARG 56 HH22 ARG 56 8.302 -4.106 -0.184 434 H GLY 57 H GLY 57 7.015 5.897 2.668 435 HA2 GLY 57 HA2 GLY 57 9.715 7.050 2.727 436 HA3 GLY 57 HA3 GLY 57 8.288 7.845 2.080 437 H ILE 58 H ILE 58 8.886 9.651 3.376 438 HA ILE 58 HA ILE 58 8.742 9.370 6.261 439 HB ILE 58 HB ILE 58 9.072 11.835 4.534 440 HG12 ILE 58 HG12 ILE 58 11.107 10.280 6.149 441 HG13 ILE 58 HG13 ILE 58 10.953 10.231 4.397 442 HG21 ILE 58 HG21 ILE 58 9.376 11.517 7.515 443 HG22 ILE 58 HG22 ILE 58 8.079 12.380 6.691 444 HG23 ILE 58 HG23 ILE 58 9.738 12.973 6.591 445 HD11 ILE 58 HD11 ILE 58 11.523 12.600 4.284 446 HD12 ILE 58 HD12 ILE 58 12.784 11.666 5.089 447 HD13 ILE 58 HD13 ILE 58 11.672 12.648 6.041 448 H VAL 59 H VAL 59 6.774 9.045 7.038 449 HA VAL 59 HA VAL 59 4.404 10.210 5.966 450 HB VAL 59 HB VAL 59 4.912 9.002 8.695 451 HG11 VAL 59 HG11 VAL 59 2.303 9.560 7.273 452 HG12 VAL 59 HG12 VAL 59 2.920 10.422 8.683 453 HG13 VAL 59 HG13 VAL 59 2.478 8.720 8.815 454 HG21 VAL 59 HG21 VAL 59 5.344 7.414 6.915 455 HG22 VAL 59 HG22 VAL 59 3.776 7.770 6.190 456 HG23 VAL 59 HG23 VAL 59 3.860 6.988 7.769 457 H ALA 60 H ALA 60 4.625 12.413 5.854 458 HA ALA 60 HA ALA 60 5.501 13.816 8.277 459 HB1 ALA 60 HB1 ALA 60 6.882 14.158 6.283 460 HB2 ALA 60 HB2 ALA 60 6.120 15.656 6.820 461 HB3 ALA 60 HB3 ALA 60 5.476 14.789 5.425 462 H GLU 61 H GLU 61 4.367 15.486 9.116 463 HA GLU 61 HA GLU 61 1.620 15.808 8.239 464 HB2 GLU 61 HB2 GLU 61 3.183 16.722 10.649 465 HB3 GLU 61 HB3 GLU 61 1.553 17.291 10.314 466 HG2 GLU 61 HG2 GLU 61 0.605 15.244 10.684 467 HG3 GLU 61 HG3 GLU 61 2.086 14.377 10.296 468 H HIS 62 H HIS 62 1.486 17.012 6.529 469 HA HIS 62 HA HIS 62 3.478 19.102 6.049 470 HD2 HIS 62 HD2 HIS 62 0.991 19.997 2.481 471 HE1 HIS 62 HE1 HIS 62 5.081 20.837 1.779 472 HE2 HIS 62 HE2 HIS 62 2.718 21.202 0.949 473 HB2 HIS 62 HB2 HIS 62 3.014 17.370 4.314 474 HB3 HIS 62 HB3 HIS 62 1.369 17.972 4.195 475 H GLN 63 H GLN 63 0.022 18.623 6.029 476 HA GLN 63 HA GLN 63 -0.364 21.463 6.688 477 HB2 GLN 63 HB2 GLN 63 -2.180 19.629 5.085 478 HB3 GLN 63 HB3 GLN 63 -2.591 21.265 5.581 479 HG2 GLN 63 HG2 GLN 63 -0.248 20.596 3.820 480 HG3 GLN 63 HG3 GLN 63 -1.846 21.020 3.211 481 HE21 GLN 63 HE21 GLN 63 0.996 22.190 4.874 482 HE22 GLN 63 HE22 GLN 63 0.653 23.878 4.669 483 H ASP 64 H ASP 64 -3.234 20.841 7.211 484 HA ASP 64 HA ASP 64 -2.949 19.540 9.784 485 HB2 ASP 64 HB2 ASP 64 -4.510 21.475 9.361 486 HB3 ASP 64 HB3 ASP 64 -5.493 20.396 8.377 487 H ASP 65 H ASP 65 -2.094 17.796 7.866 488 HA ASP 65 HA ASP 65 -3.979 15.623 8.029 489 HB2 ASP 65 HB2 ASP 65 -4.592 17.091 5.964 490 HB3 ASP 65 HB3 ASP 65 -3.142 16.399 5.243 491 H LEU 66 H LEU 66 -2.891 13.854 6.278 492 HA LEU 66 HA LEU 66 -0.121 13.653 7.269 493 HG LEU 66 HG LEU 66 -2.519 12.694 8.996 494 HB2 LEU 66 HB2 LEU 66 -2.153 11.450 6.889 495 HB3 LEU 66 HB3 LEU 66 -0.479 11.201 7.343 496 HD11 LEU 66 HD11 LEU 66 -1.331 9.951 9.375 497 HD12 LEU 66 HD12 LEU 66 -2.981 10.292 8.854 498 HD13 LEU 66 HD13 LEU 66 -2.450 10.764 10.468 499 HD21 LEU 66 HD21 LEU 66 -0.234 13.495 9.328 500 HD22 LEU 66 HD22 LEU 66 0.304 11.844 9.630 501 HD23 LEU 66 HD23 LEU 66 -0.820 12.623 10.745 502 H TRP 67 H TRP 67 1.288 13.748 5.677 503 HA TRP 67 HA TRP 67 0.513 12.687 3.038 504 HD1 TRP 67 HD1 TRP 67 0.213 16.137 5.095 505 HE1 TRP 67 HE1 TRP 67 -1.814 17.496 4.299 506 HE3 TRP 67 HE3 TRP 67 0.171 14.750 0.167 507 HZ2 TRP 67 HZ2 TRP 67 -3.263 17.906 1.924 508 HZ3 TRP 67 HZ3 TRP 67 -1.578 15.667 -1.290 509 HH2 TRP 67 HH2 TRP 67 -3.259 17.211 -0.431 510 HB2 TRP 67 HB2 TRP 67 2.282 15.084 3.577 511 HB3 TRP 67 HB3 TRP 67 1.817 14.467 1.996 512 H VAL 68 H VAL 68 1.837 11.164 2.257 513 HA VAL 68 HA VAL 68 4.287 10.612 3.725 514 HB VAL 68 HB VAL 68 4.420 8.568 2.272 515 HG11 VAL 68 HG11 VAL 68 3.449 8.516 4.516 516 HG12 VAL 68 HG12 VAL 68 2.638 7.386 3.434 517 HG13 VAL 68 HG13 VAL 68 1.871 8.921 3.840 518 HG21 VAL 68 HG21 VAL 68 2.392 7.904 1.050 519 HG22 VAL 68 HG22 VAL 68 3.143 9.342 0.358 520 HG23 VAL 68 HG23 VAL 68 1.700 9.496 1.358 521 H ALA 69 H ALA 69 6.208 11.231 3.098 522 HA ALA 69 HA ALA 69 6.619 12.314 0.429 523 HB1 ALA 69 HB1 ALA 69 8.846 12.936 1.277 524 HB2 ALA 69 HB2 ALA 69 8.489 12.107 2.793 525 HB3 ALA 69 HB3 ALA 69 7.556 13.529 2.325 526 H SER 70 H SER 70 6.705 10.704 -1.015 527 HA SER 70 HA SER 70 7.619 8.109 -0.580 528 HG SER 70 HG SER 70 5.503 9.734 -2.533 529 HB2 SER 70 HB2 SER 70 7.550 9.629 -3.198 530 HB3 SER 70 HB3 SER 70 7.544 7.875 -3.005 531 HA PRO 71 HA PRO 71 11.983 8.842 -0.382 532 HB2 PRO 71 HB2 PRO 71 12.809 6.261 -0.449 533 HB3 PRO 71 HB3 PRO 71 12.066 6.990 0.978 534 HG2 PRO 71 HG2 PRO 71 10.838 5.233 -1.112 535 HG3 PRO 71 HG3 PRO 71 10.628 5.190 0.648 536 HD2 PRO 71 HD2 PRO 71 8.815 6.322 -1.022 537 HD3 PRO 71 HD3 PRO 71 9.091 6.905 0.632 538 H LEU 72 H LEU 72 10.651 6.677 -2.822 539 HA LEU 72 HA LEU 72 13.024 6.906 -4.481 540 HG LEU 72 HG LEU 72 11.865 5.742 -7.032 541 HB2 LEU 72 HB2 LEU 72 11.806 4.750 -4.181 542 HB3 LEU 72 HB3 LEU 72 10.433 5.452 -5.010 543 HD11 LEU 72 HD11 LEU 72 14.031 5.791 -5.916 544 HD12 LEU 72 HD12 LEU 72 13.979 4.532 -7.149 545 HD13 LEU 72 HD13 LEU 72 13.835 4.103 -5.444 546 HD21 LEU 72 HD21 LEU 72 11.634 2.926 -5.971 547 HD22 LEU 72 HD22 LEU 72 11.833 3.381 -7.664 548 HD23 LEU 72 HD23 LEU 72 10.364 3.829 -6.798 549 H LYS 73 H LYS 73 9.604 7.795 -4.565 550 HA LYS 73 HA LYS 73 9.815 8.981 -7.186 551 HB2 LYS 73 HB2 LYS 73 7.504 9.326 -5.287 552 HB3 LYS 73 HB3 LYS 73 7.488 9.380 -7.043 553 HG2 LYS 73 HG2 LYS 73 7.922 6.937 -5.339 554 HG3 LYS 73 HG3 LYS 73 6.458 7.344 -6.232 555 HD2 LYS 73 HD2 LYS 73 9.155 6.865 -7.495 556 HD3 LYS 73 HD3 LYS 73 7.890 5.644 -7.353 557 HE2 LYS 73 HE2 LYS 73 6.387 7.140 -8.655 558 HE3 LYS 73 HE3 LYS 73 7.748 8.238 -8.887 559 HZ1 LYS 73 HZ1 LYS 73 7.459 6.760 -10.782 560 HZ2 LYS 73 HZ2 LYS 73 7.639 5.405 -9.781 561 HZ3 LYS 73 HZ3 LYS 73 8.943 6.471 -10.015 562 H LYS 74 H LYS 74 9.914 10.011 -3.881 563 HA LYS 74 HA LYS 74 10.428 11.941 -2.851 564 HB2 LYS 74 HB2 LYS 74 11.479 12.669 -5.582 565 HB3 LYS 74 HB3 LYS 74 11.760 13.616 -4.122 566 HG2 LYS 74 HG2 LYS 74 12.818 11.639 -3.089 567 HG3 LYS 74 HG3 LYS 74 12.617 10.774 -4.612 568 HD2 LYS 74 HD2 LYS 74 14.071 12.318 -5.741 569 HD3 LYS 74 HD3 LYS 74 14.169 13.338 -4.300 570 HE2 LYS 74 HE2 LYS 74 15.124 10.485 -4.503 571 HE3 LYS 74 HE3 LYS 74 16.154 11.915 -4.557 572 HZ1 LYS 74 HZ1 LYS 74 16.036 10.829 -2.346 573 HZ2 LYS 74 HZ2 LYS 74 14.393 11.235 -2.264 574 HZ3 LYS 74 HZ3 LYS 74 15.562 12.458 -2.327 575 H GLN 75 H GLN 75 7.841 11.609 -4.351 576 HA GLN 75 HA GLN 75 7.055 14.436 -4.194 577 HB2 GLN 75 HB2 GLN 75 5.124 13.839 -5.645 578 HB3 GLN 75 HB3 GLN 75 6.680 13.643 -6.440 579 HG2 GLN 75 HG2 GLN 75 6.567 11.229 -5.998 580 HG3 GLN 75 HG3 GLN 75 4.975 11.455 -5.276 581 HE21 GLN 75 HE21 GLN 75 4.263 13.532 -7.223 582 HE22 GLN 75 HE22 GLN 75 3.915 12.693 -8.692 583 H HIS 76 H HIS 76 4.773 14.743 -3.407 584 HA HIS 76 HA HIS 76 4.528 13.138 -0.978 585 HD1 HIS 76 HD1 HIS 76 5.068 17.370 -1.983 586 HD2 HIS 76 HD2 HIS 76 5.533 14.811 1.262 587 HE1 HIS 76 HE1 HIS 76 7.072 18.226 -0.730 588 HE2 HIS 76 HE2 HIS 76 7.440 16.557 1.130 589 HB2 HIS 76 HB2 HIS 76 3.198 15.736 -1.778 590 HB3 HIS 76 HB3 HIS 76 3.012 14.944 -0.220 591 H PHE 77 H PHE 77 2.780 11.905 -0.477 592 HA PHE 77 HA PHE 77 0.455 12.021 -2.280 593 HD1 PHE 77 HD1 PHE 77 3.633 10.015 -2.951 594 HD2 PHE 77 HD2 PHE 77 -0.472 9.590 -3.977 595 HE1 PHE 77 HE1 PHE 77 4.264 9.666 -5.303 596 HE2 PHE 77 HE2 PHE 77 0.148 9.250 -6.333 597 HZ PHE 77 HZ PHE 77 2.518 9.287 -6.997 598 HB2 PHE 77 HB2 PHE 77 1.920 9.602 -1.253 599 HB3 PHE 77 HB3 PHE 77 0.222 9.505 -1.699 600 H ARG 78 H ARG 78 -1.514 11.992 -1.305 601 HA ARG 78 HA ARG 78 -1.517 12.120 1.619 602 HE ARG 78 HE ARG 78 -5.323 14.609 3.553 603 HB2 ARG 78 HB2 ARG 78 -2.581 13.938 0.246 604 HB3 ARG 78 HB3 ARG 78 -3.767 12.757 -0.292 605 HG2 ARG 78 HG2 ARG 78 -4.541 12.450 1.978 606 HG3 ARG 78 HG3 ARG 78 -3.298 13.556 2.569 607 HD2 ARG 78 HD2 ARG 78 -4.294 15.373 1.285 608 HD3 ARG 78 HD3 ARG 78 -5.519 14.271 0.660 609 HH11 ARG 78 HH11 ARG 78 -7.068 15.230 0.566 610 HH12 ARG 78 HH12 ARG 78 -8.489 15.820 1.371 611 HH21 ARG 78 HH21 ARG 78 -7.179 15.377 4.608 612 HH22 ARG 78 HH22 ARG 78 -8.562 15.885 3.675 613 H LEU 79 H LEU 79 -2.322 10.544 2.832 614 HA LEU 79 HA LEU 79 -2.759 7.999 1.783 615 HG LEU 79 HG LEU 79 -1.247 9.398 4.222 616 HB2 LEU 79 HB2 LEU 79 -3.660 9.057 4.464 617 HB3 LEU 79 HB3 LEU 79 -3.474 7.367 4.032 618 HD11 LEU 79 HD11 LEU 79 -2.121 8.759 6.395 619 HD12 LEU 79 HD12 LEU 79 -0.523 8.060 6.139 620 HD13 LEU 79 HD13 LEU 79 -1.962 7.053 5.977 621 HD21 LEU 79 HD21 LEU 79 -1.158 6.448 3.602 622 HD22 LEU 79 HD22 LEU 79 0.243 7.478 3.889 623 HD23 LEU 79 HD23 LEU 79 -0.787 7.762 2.486 624 H TYR 80 H TYR 80 -5.217 10.086 3.349 625 HA TYR 80 HA TYR 80 -7.259 8.551 1.918 626 HD1 TYR 80 HD2 TYR 80 -9.256 7.348 3.347 627 HD2 TYR 80 HD1 TYR 80 -9.729 11.574 3.554 628 HE1 TYR 80 HE2 TYR 80 -11.676 7.092 3.013 629 HE2 TYR 80 HE1 TYR 80 -12.153 11.323 3.224 630 HH TYR 80 HH TYR 80 -13.771 8.541 3.667 631 HB2 TYR 80 HB2 TYR 80 -7.510 8.876 4.369 632 HB3 TYR 80 HB3 TYR 80 -7.648 10.609 4.102 633 H ASP 81 H ASP 81 -6.608 9.505 -0.078 634 HA ASP 81 HA ASP 81 -8.279 11.589 -0.940 635 HB2 ASP 81 HB2 ASP 81 -6.662 12.958 0.364 636 HB3 ASP 81 HB3 ASP 81 -5.367 12.364 -0.667 637 H GLY 82 H GLY 82 -4.938 10.528 -1.595 638 HA2 GLY 82 HA2 GLY 82 -4.453 8.862 -3.242 639 HA3 GLY 82 HA3 GLY 82 -5.916 9.328 -4.092 640 H PHE 83 H PHE 83 -4.917 12.245 -3.505 641 HA PHE 83 HA PHE 83 -3.566 12.432 -6.069 642 HD1 PHE 83 HD2 PHE 83 -6.852 13.433 -4.342 643 HD2 PHE 83 HD1 PHE 83 -4.735 14.749 -7.791 644 HE1 PHE 83 HE2 PHE 83 -8.920 13.287 -5.665 645 HE2 PHE 83 HE1 PHE 83 -6.802 14.607 -9.116 646 HZ PHE 83 HZ PHE 83 -8.895 13.876 -8.055 647 HB2 PHE 83 HB2 PHE 83 -4.637 14.519 -4.175 648 HB3 PHE 83 HB3 PHE 83 -3.740 14.924 -5.636 649 H CYS 84 H CYS 84 -1.711 13.933 -6.313 650 HA CYS 84 HA CYS 84 0.325 13.096 -4.388 651 HG CYS 84 HG CYS 84 -1.066 12.572 -7.745 652 HB2 CYS 84 HB2 CYS 84 0.915 14.459 -6.994 653 HB3 CYS 84 HB3 CYS 84 1.869 13.262 -6.128 654 H LEU 85 H LEU 85 -1.316 15.181 -3.501 655 HA LEU 85 HA LEU 85 -1.306 17.247 -2.583 656 HG LEU 85 HG LEU 85 1.207 19.316 -2.599 657 HB2 LEU 85 HB2 LEU 85 0.725 16.535 -1.513 658 HB3 LEU 85 HB3 LEU 85 1.669 16.921 -2.937 659 HD11 LEU 85 HD11 LEU 85 -0.167 18.425 -0.068 660 HD12 LEU 85 HD12 LEU 85 -0.959 19.126 -1.482 661 HD13 LEU 85 HD13 LEU 85 0.174 20.092 -0.535 662 HD21 LEU 85 HD21 LEU 85 2.305 17.937 -0.160 663 HD22 LEU 85 HD22 LEU 85 2.595 19.613 -0.625 664 HD23 LEU 85 HD23 LEU 85 3.204 18.298 -1.633 665 H GLU 86 H GLU 86 1.498 17.903 -4.628 666 HA GLU 86 HA GLU 86 -0.087 19.992 -5.967 667 HB2 GLU 86 HB2 GLU 86 2.894 19.855 -5.490 668 HB3 GLU 86 HB3 GLU 86 2.058 21.150 -6.337 669 HG2 GLU 86 HG2 GLU 86 0.841 21.709 -4.310 670 HG3 GLU 86 HG3 GLU 86 1.638 20.388 -3.456 671 H ASP 87 H ASP 87 1.627 17.092 -6.388 672 HA ASP 87 HA ASP 87 2.125 17.564 -9.226 673 HB2 ASP 87 HB2 ASP 87 2.783 15.183 -7.472 674 HB3 ASP 87 HB3 ASP 87 3.203 15.323 -9.175 675 H GLY 88 H GLY 88 1.586 15.641 -10.675 676 HA2 GLY 88 HA2 GLY 88 -0.885 14.265 -9.894 677 HA3 GLY 88 HA3 GLY 88 -0.923 15.276 -11.336 678 H ALA 89 H ALA 89 1.163 12.792 -9.889 679 HA ALA 89 HA ALA 89 1.919 11.932 -12.573 680 HB1 ALA 89 HB1 ALA 89 3.715 10.712 -11.461 681 HB2 ALA 89 HB2 ALA 89 3.069 11.187 -9.890 682 HB3 ALA 89 HB3 ALA 89 3.701 12.412 -10.992 683 H TYR 90 H TYR 90 0.081 10.825 -9.829 684 HA TYR 90 HA TYR 90 -0.416 8.331 -11.280 685 HD1 TYR 90 HD2 TYR 90 0.706 6.602 -11.503 686 HD2 TYR 90 HD1 TYR 90 2.497 7.997 -7.911 687 HE1 TYR 90 HE2 TYR 90 2.837 5.594 -12.189 688 HE2 TYR 90 HE1 TYR 90 4.638 6.991 -8.583 689 HH TYR 90 HH TYR 90 5.441 5.154 -10.083 690 HB2 TYR 90 HB2 TYR 90 0.307 8.580 -8.370 691 HB3 TYR 90 HB3 TYR 90 -0.545 7.177 -9.006 692 H SER 91 H SER 91 -1.565 9.913 -8.281 693 HA SER 91 HA SER 91 -3.633 10.114 -7.377 694 HG SER 91 HG SER 91 -4.524 12.350 -10.033 695 HB2 SER 91 HB2 SER 91 -4.600 10.057 -10.250 696 HB3 SER 91 HB3 SER 91 -5.515 10.630 -8.854 697 H VAL 92 H VAL 92 -3.672 8.189 -6.308 698 HA VAL 92 HA VAL 92 -4.144 5.728 -7.764 699 HB VAL 92 HB VAL 92 -3.671 4.611 -5.620 700 HG11 VAL 92 HG11 VAL 92 -1.316 5.270 -5.476 701 HG12 VAL 92 HG12 VAL 92 -1.670 6.727 -6.405 702 HG13 VAL 92 HG13 VAL 92 -1.856 5.139 -7.151 703 HG21 VAL 92 HG21 VAL 92 -4.580 6.267 -4.090 704 HG22 VAL 92 HG22 VAL 92 -3.330 7.419 -4.566 705 HG23 VAL 92 HG23 VAL 92 -2.888 5.942 -3.708 706 H ALA 93 H ALA 93 -5.447 4.043 -6.325 707 HA ALA 93 HA ALA 93 -8.176 5.065 -6.373 708 HB1 ALA 93 HB1 ALA 93 -7.722 3.029 -7.606 709 HB2 ALA 93 HB2 ALA 93 -8.813 2.684 -6.263 710 HB3 ALA 93 HB3 ALA 93 -7.108 2.250 -6.148 711 H ALA 94 H ALA 94 -9.695 4.048 -4.673 712 HA ALA 94 HA ALA 94 -8.502 3.864 -2.029 713 HB1 ALA 94 HB1 ALA 94 -8.763 6.274 -2.341 714 HB2 ALA 94 HB2 ALA 94 -9.873 5.672 -1.108 715 HB3 ALA 94 HB3 ALA 94 -10.469 6.048 -2.727 716 H TYR 95 H TYR 95 -9.483 2.259 -1.049 717 HA TYR 95 HA TYR 95 -12.255 1.608 -1.788 718 HD1 TYR 95 HD1 TYR 95 -8.551 0.341 -2.628 719 HD2 TYR 95 HD2 TYR 95 -12.501 -1.055 -3.370 720 HE1 TYR 95 HE1 TYR 95 -7.948 -0.112 -4.966 721 HE2 TYR 95 HE2 TYR 95 -11.912 -1.503 -5.715 722 HH TYR 95 HH TYR 95 -10.262 -0.758 -7.376 723 HB2 TYR 95 HB2 TYR 95 -10.069 -0.231 -0.784 724 HB3 TYR 95 HB3 TYR 95 -11.728 -0.719 -1.112 725 H ASP 96 H ASP 96 -13.670 0.868 -0.128 726 HA ASP 96 HA ASP 96 -13.245 2.152 2.408 727 HB2 ASP 96 HB2 ASP 96 -15.472 0.427 1.321 728 HB3 ASP 96 HB3 ASP 96 -15.462 1.013 2.982 729 H THR 97 H THR 97 -12.206 1.313 4.057 730 HA THR 97 HA THR 97 -11.972 -1.626 4.252 731 HB THR 97 HB THR 97 -9.777 -1.248 5.334 732 HG1 THR 97 HG1 THR 97 -10.453 1.463 4.825 733 HG21 THR 97 HG21 THR 97 -8.546 -0.590 3.320 734 HG22 THR 97 HG22 THR 97 -10.038 0.028 2.613 735 HG23 THR 97 HG23 THR 97 -9.866 -1.697 2.938 736 H GLN 98 H GLN 98 -12.191 -2.554 6.295 737 HA GLN 98 HA GLN 98 -12.481 -0.851 8.621 738 HB2 GLN 98 HB2 GLN 98 -14.745 -0.841 7.693 739 HB3 GLN 98 HB3 GLN 98 -14.761 -2.599 7.677 740 HG2 GLN 98 HG2 GLN 98 -14.532 -2.584 10.133 741 HG3 GLN 98 HG3 GLN 98 -14.616 -0.825 10.103 742 HE21 GLN 98 HE21 GLN 98 -16.351 -2.715 11.432 743 HE22 GLN 98 HE22 GLN 98 -17.945 -2.425 10.826 744 H VAL 99 H VAL 99 -12.211 -1.907 10.549 745 HA VAL 99 HA VAL 99 -11.343 -4.713 10.385 746 HB VAL 99 HB VAL 99 -11.016 -2.767 12.680 747 HG11 VAL 99 HG11 VAL 99 -11.022 -5.096 13.389 748 HG12 VAL 99 HG12 VAL 99 -9.408 -4.400 13.541 749 HG13 VAL 99 HG13 VAL 99 -9.783 -5.474 12.194 750 HG21 VAL 99 HG21 VAL 99 -9.019 -3.631 10.592 751 HG22 VAL 99 HG22 VAL 99 -8.667 -2.630 12.001 752 HG23 VAL 99 HG23 VAL 99 -9.745 -2.030 10.740 753 H THR 100 H THR 100 -12.942 -6.117 10.750 754 HA THR 100 HA THR 100 -15.228 -5.264 12.345 755 HB THR 100 HB THR 100 -15.000 -7.773 10.694 756 HG1 THR 100 HG1 THR 100 -15.674 -6.609 8.974 757 HG21 THR 100 HG21 THR 100 -17.376 -6.201 11.703 758 HG22 THR 100 HG22 THR 100 -16.823 -7.756 12.325 759 HG23 THR 100 HG23 THR 100 -17.456 -7.637 10.683 760 H ASN 101 H ASN 101 -13.414 -8.272 11.956 761 HA ASN 101 HA ASN 101 -13.763 -8.767 14.842 762 HB2 ASN 101 HB2 ASN 101 -13.868 -10.806 12.597 763 HB3 ASN 101 HB3 ASN 101 -13.915 -11.192 14.313 764 HD21 ASN 101 HD21 ASN 101 -15.859 -11.781 12.254 765 HD22 ASN 101 HD22 ASN 101 -17.342 -11.045 12.769 766 H GLY 102 H GLY 102 -11.592 -7.471 14.338 767 HA2 GLY 102 HA2 GLY 102 -9.299 -7.581 14.622 768 HA3 GLY 102 HA3 GLY 102 -9.432 -9.331 14.700 769 H ASN 103 H ASN 103 -10.997 -8.457 11.984 770 HA ASN 103 HA ASN 103 -8.623 -8.952 10.325 771 HB2 ASN 103 HB2 ASN 103 -10.114 -9.991 8.696 772 HB3 ASN 103 HB3 ASN 103 -10.301 -10.761 10.266 773 HD21 ASN 103 HD21 ASN 103 -12.124 -10.732 8.023 774 HD22 ASN 103 HD22 ASN 103 -13.596 -10.024 8.587 775 H VAL 104 H VAL 104 -8.271 -7.744 8.501 776 HA VAL 104 HA VAL 104 -9.746 -5.220 8.351 777 HB VAL 104 HB VAL 104 -7.222 -6.049 6.899 778 HG11 VAL 104 HG11 VAL 104 -6.975 -3.629 6.464 779 HG12 VAL 104 HG12 VAL 104 -8.561 -3.358 7.188 780 HG13 VAL 104 HG13 VAL 104 -8.417 -4.306 5.707 781 HG21 VAL 104 HG21 VAL 104 -6.073 -4.567 8.512 782 HG22 VAL 104 HG22 VAL 104 -6.818 -5.965 9.286 783 HG23 VAL 104 HG23 VAL 104 -7.590 -4.383 9.389 784 H GLN 105 H GLN 105 -11.439 -5.177 7.045 785 HA GLN 105 HA GLN 105 -11.425 -6.854 4.625 786 HB2 GLN 105 HB2 GLN 105 -13.773 -5.538 6.011 787 HB3 GLN 105 HB3 GLN 105 -13.858 -6.622 4.632 788 HG2 GLN 105 HG2 GLN 105 -12.978 -8.441 6.000 789 HG3 GLN 105 HG3 GLN 105 -12.897 -7.357 7.387 790 HE21 GLN 105 HE21 GLN 105 -15.396 -6.012 6.624 791 HE22 GLN 105 HE22 GLN 105 -16.676 -7.109 7.029 792 H ILE 106 H ILE 106 -11.504 -5.926 2.642 793 HA ILE 106 HA ILE 106 -11.976 -3.022 2.514 794 HB ILE 106 HB ILE 106 -10.615 -2.809 0.616 795 HG12 ILE 106 HG12 ILE 106 -11.458 -4.855 -0.568 796 HG13 ILE 106 HG13 ILE 106 -9.732 -4.577 -0.737 797 HG21 ILE 106 HG21 ILE 106 -9.316 -3.045 2.637 798 HG22 ILE 106 HG22 ILE 106 -8.441 -3.735 1.270 799 HG23 ILE 106 HG23 ILE 106 -9.251 -4.795 2.424 800 HD11 ILE 106 HD11 ILE 106 -10.245 -6.930 -0.417 801 HD12 ILE 106 HD12 ILE 106 -11.008 -6.557 1.129 802 HD13 ILE 106 HD13 ILE 106 -9.277 -6.297 0.913 803 H SER 107 H SER 107 -13.307 -2.243 0.814 804 HA SER 107 HA SER 107 -15.375 -4.150 0.106 805 HG SER 107 HG SER 107 -15.220 -1.832 1.877 806 HB2 SER 107 HB2 SER 107 -15.259 -1.164 -0.369 807 HB3 SER 107 HB3 SER 107 -16.680 -2.197 -0.537 808 H ILE 108 H ILE 108 -14.778 -5.377 -1.599 809 HA ILE 108 HA ILE 108 -13.679 -4.061 -3.969 810 HB ILE 108 HB ILE 108 -14.084 -7.004 -3.390 811 HG12 ILE 108 HG12 ILE 108 -12.291 -5.996 -2.054 812 HG13 ILE 108 HG13 ILE 108 -11.626 -7.079 -3.272 813 HG21 ILE 108 HG21 ILE 108 -12.751 -7.385 -5.428 814 HG22 ILE 108 HG22 ILE 108 -12.801 -5.654 -5.761 815 HG23 ILE 108 HG23 ILE 108 -14.291 -6.595 -5.763 816 HD11 ILE 108 HD11 ILE 108 -11.039 -5.165 -4.662 817 HD12 ILE 108 HD12 ILE 108 -10.308 -5.047 -3.060 818 HD13 ILE 108 HD13 ILE 108 -11.727 -4.075 -3.457 819 H ALA 109 H ALA 109 -15.343 -3.006 -4.880 820 HA ALA 109 HA ALA 109 -17.911 -4.298 -5.252 821 HB1 ALA 109 HB1 ALA 109 -17.835 -1.941 -4.623 822 HB2 ALA 109 HB2 ALA 109 -18.603 -2.150 -6.197 823 HB3 ALA 109 HB3 ALA 109 -16.941 -1.568 -6.097 824 H ASP 110 H ASP 110 -18.911 -4.459 -7.361 825 HA ASP 110 HA ASP 110 -17.076 -5.494 -9.316 826 HB2 ASP 110 HB2 ASP 110 -20.066 -5.334 -9.132 827 HB3 ASP 110 HB3 ASP 110 -19.293 -5.745 -10.661 828 H SER 111 H SER 111 -16.708 -4.749 -11.363 829 HA SER 111 HA SER 111 -17.824 -2.214 -12.203 830 HG SER 111 HG SER 111 -16.761 -1.715 -10.112 831 HB2 SER 111 HB2 SER 111 -14.831 -2.495 -11.813 832 HB3 SER 111 HB3 SER 111 -15.672 -1.089 -12.466 833 H ASP 112 H ASP 112 -14.737 -3.559 -13.198 834 HA ASP 112 HA ASP 112 -15.611 -5.321 -15.177 835 HB2 ASP 112 HB2 ASP 112 -16.337 -2.989 -16.114 836 HB3 ASP 112 HB3 ASP 112 -14.618 -2.754 -16.414 837 H VAL 113 H VAL 113 -13.416 -4.386 -16.995 838 HA VAL 113 HA VAL 113 -11.234 -4.856 -17.356 839 HB VAL 113 HB VAL 113 -10.879 -3.791 -14.585 840 HG11 VAL 113 HG11 VAL 113 -8.843 -4.750 -15.513 841 HG12 VAL 113 HG12 VAL 113 -8.699 -2.994 -15.421 842 HG13 VAL 113 HG13 VAL 113 -9.030 -3.771 -16.968 843 HG21 VAL 113 HG21 VAL 113 -10.658 -1.561 -15.633 844 HG22 VAL 113 HG22 VAL 113 -12.271 -2.251 -15.814 845 HG23 VAL 113 HG23 VAL 113 -11.145 -2.273 -17.171 846 H ALA 114 H ALA 114 -12.371 -7.089 -16.891 847 HA ALA 114 HA ALA 114 -11.326 -8.581 -14.692 848 HB1 ALA 114 HB1 ALA 114 -13.414 -9.225 -15.808 849 HB2 ALA 114 HB2 ALA 114 -12.239 -10.540 -15.820 850 HB3 ALA 114 HB3 ALA 114 -12.509 -9.586 -17.278 851 H VAL 115 H VAL 115 -9.087 -8.088 -14.823 852 HA VAL 115 HA VAL 115 -7.668 -9.484 -16.986 853 HB VAL 115 HB VAL 115 -5.758 -7.972 -16.510 854 HG11 VAL 115 HG11 VAL 115 -8.320 -6.563 -17.243 855 HG12 VAL 115 HG12 VAL 115 -7.290 -7.478 -18.343 856 HG13 VAL 115 HG13 VAL 115 -6.690 -5.994 -17.602 857 HG21 VAL 115 HG21 VAL 115 -6.303 -7.393 -14.205 858 HG22 VAL 115 HG22 VAL 115 -7.734 -6.519 -14.754 859 HG23 VAL 115 HG23 VAL 115 -6.125 -5.941 -15.192 860 H ASP 116 H ASP 116 -5.489 -10.279 -16.331 861 HA ASP 116 HA ASP 116 -5.404 -11.116 -13.509 862 HB2 ASP 116 HB2 ASP 116 -5.954 -13.065 -14.836 863 HB3 ASP 116 HB3 ASP 116 -4.650 -12.719 -15.967 864 H ASN 117 H ASN 117 -3.819 -10.012 -12.574 865 HA ASN 117 HA ASN 117 -1.163 -10.064 -13.710 866 HB2 ASN 117 HB2 ASN 117 -0.801 -7.702 -13.784 867 HB3 ASN 117 HB3 ASN 117 -2.278 -8.009 -14.691 868 HD21 ASN 117 HD21 ASN 117 -4.252 -7.348 -13.833 869 HD22 ASN 117 HD22 ASN 117 -4.360 -6.199 -12.541 870 H SER 118 H SER 118 0.448 -9.316 -12.181 871 HA SER 118 HA SER 118 1.420 -9.221 -10.145 872 HG SER 118 HG SER 118 -0.822 -6.852 -10.573 873 HB2 SER 118 HB2 SER 118 -1.295 -8.375 -9.110 874 HB3 SER 118 HB3 SER 118 0.260 -8.132 -8.313 875 H GLN 119 H GLN 119 1.930 -11.314 -9.884 876 HA GLN 119 HA GLN 119 2.000 -13.382 -8.984 877 HB2 GLN 119 HB2 GLN 119 -0.028 -12.253 -7.053 878 HB3 GLN 119 HB3 GLN 119 0.803 -13.787 -6.851 879 HG2 GLN 119 HG2 GLN 119 2.955 -12.576 -6.815 880 HG3 GLN 119 HG3 GLN 119 2.065 -11.056 -6.903 881 HE21 GLN 119 HE21 GLN 119 2.883 -13.791 -4.944 882 HE22 GLN 119 HE22 GLN 119 2.333 -13.141 -3.437 883 HA PRO 120 HA PRO 120 -1.777 -14.747 -11.250 884 HB2 PRO 120 HB2 PRO 120 -0.488 -16.274 -13.064 885 HB3 PRO 120 HB3 PRO 120 -0.687 -14.529 -13.270 886 HG2 PRO 120 HG2 PRO 120 1.691 -16.065 -12.300 887 HG3 PRO 120 HG3 PRO 120 1.624 -14.689 -13.416 888 HD2 PRO 120 HD2 PRO 120 2.278 -14.450 -10.779 889 HD3 PRO 120 HD3 PRO 120 1.508 -13.155 -11.715 890 H LEU 121 H LEU 121 -2.763 -16.816 -11.214 891 HA LEU 121 HA LEU 121 -1.299 -18.793 -9.591 892 HG LEU 121 HG LEU 121 -2.977 -16.450 -8.271 893 HB2 LEU 121 HB2 LEU 121 -4.242 -18.156 -9.489 894 HB3 LEU 121 HB3 LEU 121 -3.444 -19.419 -8.573 895 HD11 LEU 121 HD11 LEU 121 -4.010 -16.778 -6.068 896 HD12 LEU 121 HD12 LEU 121 -4.347 -18.458 -6.490 897 HD13 LEU 121 HD13 LEU 121 -5.121 -17.150 -7.386 898 HD21 LEU 121 HD21 LEU 121 -1.819 -18.758 -6.711 899 HD22 LEU 121 HD22 LEU 121 -1.580 -17.045 -6.369 900 HD23 LEU 121 HD23 LEU 121 -0.937 -17.745 -7.854 901 HA PRO 122 HA PRO 122 -2.534 -21.262 -13.234 902 HB2 PRO 122 HB2 PRO 122 -0.289 -22.753 -13.301 903 HB3 PRO 122 HB3 PRO 122 -0.367 -21.149 -14.039 904 HG2 PRO 122 HG2 PRO 122 0.774 -21.962 -11.396 905 HG3 PRO 122 HG3 PRO 122 1.441 -20.850 -12.607 906 HD2 PRO 122 HD2 PRO 122 0.119 -20.014 -10.374 907 HD3 PRO 122 HD3 PRO 122 0.137 -19.098 -11.893 908 H LEU 123 H LEU 123 -2.502 -23.750 -13.337 909 HA LEU 123 HA LEU 123 -3.767 -24.751 -11.005 910 HG LEU 123 HG LEU 123 -3.139 -27.776 -11.542 911 HB2 LEU 123 HB2 LEU 123 -4.332 -25.571 -13.229 912 HB3 LEU 123 HB3 LEU 123 -2.712 -26.211 -13.427 913 HD11 LEU 123 HD11 LEU 123 -5.952 -26.706 -11.727 914 HD12 LEU 123 HD12 LEU 123 -4.847 -26.513 -10.366 915 HD13 LEU 123 HD13 LEU 123 -5.449 -28.114 -10.795 916 HD21 LEU 123 HD21 LEU 123 -3.441 -28.460 -13.879 917 HD22 LEU 123 HD22 LEU 123 -5.129 -27.951 -13.802 918 HD23 LEU 123 HD23 LEU 123 -4.563 -29.286 -12.800 919 H GLU 124 H GLU 124 -0.612 -25.454 -12.472 920 HA GLU 124 HA GLU 124 0.069 -27.144 -10.210 921 HB2 GLU 124 HB2 GLU 124 2.151 -27.597 -11.567 922 HB3 GLU 124 HB3 GLU 124 0.636 -28.090 -12.311 923 HG2 GLU 124 HG2 GLU 124 0.653 -26.137 -13.728 924 HG3 GLU 124 HG3 GLU 124 2.118 -25.548 -12.940 925 H HIS 125 H HIS 125 1.461 -26.658 -8.655 926 HA HIS 125 HA HIS 125 3.314 -24.409 -9.005 927 HD1 HIS 125 HD1 HIS 125 2.707 -21.579 -7.899 928 HD2 HIS 125 HD2 HIS 125 -0.734 -23.902 -7.684 929 HE1 HIS 125 HE1 HIS 125 0.810 -20.043 -8.500 930 HE2 HIS 125 HE2 HIS 125 -1.269 -21.413 -8.096 931 HB2 HIS 125 HB2 HIS 125 1.591 -24.898 -6.559 932 HB3 HIS 125 HB3 HIS 125 2.974 -23.814 -6.585 933 H HIS 126 H HIS 126 5.330 -25.113 -8.661 934 HA HIS 126 HA HIS 126 5.747 -27.733 -7.569 935 HD1 HIS 126 HD1 HIS 126 9.966 -27.174 -9.389 936 HD2 HIS 126 HD2 HIS 126 7.376 -29.209 -6.845 937 HE1 HIS 126 HE1 HIS 126 11.164 -29.289 -8.746 938 HE2 HIS 126 HE2 HIS 126 9.526 -30.564 -7.314 939 HB2 HIS 126 HB2 HIS 126 7.116 -26.641 -9.433 940 HB3 HIS 126 HB3 HIS 126 7.922 -25.726 -8.163 941 H HIS 127 H HIS 127 4.668 -27.089 -5.517 942 HA HIS 127 HA HIS 127 6.605 -25.991 -3.594 943 HD1 HIS 127 HD1 HIS 127 2.707 -24.140 -1.994 944 HD2 HIS 127 HD2 HIS 127 6.053 -23.856 -4.450 945 HE1 HIS 127 HE1 HIS 127 2.959 -21.694 -2.518 946 HE2 HIS 127 HE2 HIS 127 5.136 -21.531 -3.779 947 HB2 HIS 127 HB2 HIS 127 3.627 -26.445 -3.464 948 HB3 HIS 127 HB3 HIS 127 4.577 -26.243 -1.997 949 H HIS 128 H HIS 128 7.054 -27.209 -1.671 950 HA HIS 128 HA HIS 128 6.286 -30.022 -1.717 951 HD1 HIS 128 HD1 HIS 128 10.557 -30.792 -0.453 952 HD2 HIS 128 HD2 HIS 128 7.194 -32.570 -2.139 953 HE1 HIS 128 HE1 HIS 128 10.692 -33.231 0.160 954 HE2 HIS 128 HE2 HIS 128 8.624 -34.284 -0.829 955 HB2 HIS 128 HB2 HIS 128 8.366 -29.887 -3.051 956 HB3 HIS 128 HB3 HIS 128 9.186 -29.161 -1.673 957 H HIS 129 H HIS 129 5.497 -30.365 0.196 958 HA HIS 129 HA HIS 129 6.389 -28.845 2.505 959 HD1 HIS 129 HD1 HIS 129 4.692 -31.548 4.965 960 HD2 HIS 129 HD2 HIS 129 3.706 -27.607 4.080 961 HE1 HIS 129 HE1 HIS 129 4.057 -30.504 7.158 962 HE2 HIS 129 HE2 HIS 129 3.230 -28.199 6.554 963 HB2 HIS 129 HB2 HIS 129 3.956 -29.419 1.971 964 HB3 HIS 129 HB3 HIS 129 4.343 -31.070 2.429 965 H HIS 130 H HIS 130 7.342 -29.777 4.351 966 HA HIS 130 HA HIS 130 8.566 -32.399 3.912 967 HD1 HIS 130 HD1 HIS 130 10.963 -32.277 3.288 968 HD2 HIS 130 HD2 HIS 130 10.763 -28.429 4.853 969 HE1 HIS 130 HE1 HIS 130 12.634 -30.923 1.983 970 HE2 HIS 130 HE2 HIS 130 12.615 -28.645 3.059 971 HB2 HIS 130 HB2 HIS 130 9.150 -30.263 5.974 972 HB3 HIS 130 HB3 HIS 130 9.930 -31.839 5.940 Start of MODEL 5 1 HA MET 1 HA MET 1 -20.204 -11.242 2.902 2 H1 MET 1 H1 MET 1 -18.641 -12.225 4.426 3 H2 MET 1 H2 MET 1 -17.333 -11.733 3.467 4 H3 MET 1 H3 MET 1 -18.434 -12.884 2.879 5 HB2 MET 1 HB2 MET 1 -18.777 -9.918 4.714 6 HB3 MET 1 HB3 MET 1 -18.147 -9.102 3.292 7 HG2 MET 1 HG2 MET 1 -21.065 -9.295 3.996 8 HG3 MET 1 HG3 MET 1 -20.029 -7.925 4.380 9 HE1 MET 1 HE1 MET 1 -21.776 -6.304 3.178 10 HE2 MET 1 HE2 MET 1 -22.794 -7.694 2.805 11 HE3 MET 1 HE3 MET 1 -22.360 -6.552 1.533 12 H SER 2 H SER 2 -20.653 -10.391 0.888 13 HA SER 2 HA SER 2 -19.035 -11.320 -1.200 14 HG SER 2 HG SER 2 -21.953 -8.640 -1.574 15 HB2 SER 2 HB2 SER 2 -20.671 -9.926 -2.615 16 HB3 SER 2 HB3 SER 2 -21.339 -11.223 -1.625 17 H GLN 3 H GLN 3 -19.826 -7.913 -0.405 18 HA GLN 3 HA GLN 3 -17.769 -7.074 -2.271 19 HB2 GLN 3 HB2 GLN 3 -18.653 -4.792 -1.898 20 HB3 GLN 3 HB3 GLN 3 -19.886 -5.925 -2.434 21 HG2 GLN 3 HG2 GLN 3 -20.733 -6.129 -0.185 22 HG3 GLN 3 HG3 GLN 3 -19.436 -5.102 0.426 23 HE21 GLN 3 HE21 GLN 3 -19.556 -3.290 -1.844 24 HE22 GLN 3 HE22 GLN 3 -20.981 -2.339 -1.627 25 H TRP 4 H TRP 4 -17.745 -7.931 0.825 26 HA TRP 4 HA TRP 4 -15.577 -6.050 1.468 27 HD1 TRP 4 HD1 TRP 4 -19.627 -5.977 2.731 28 HE1 TRP 4 HE1 TRP 4 -20.187 -3.465 2.821 29 HE3 TRP 4 HE3 TRP 4 -14.940 -4.133 3.587 30 HZ2 TRP 4 HZ2 TRP 4 -18.818 -1.027 3.203 31 HZ3 TRP 4 HZ3 TRP 4 -14.651 -1.700 3.804 32 HH2 TRP 4 HH2 TRP 4 -16.552 -0.181 3.616 33 HB2 TRP 4 HB2 TRP 4 -17.520 -7.387 3.364 34 HB3 TRP 4 HB3 TRP 4 -16.081 -6.518 3.886 35 H THR 5 H THR 5 -13.898 -7.204 0.731 36 HA THR 5 HA THR 5 -13.696 -10.034 1.387 37 HB THR 5 HB THR 5 -11.853 -8.333 -0.303 38 HG1 THR 5 HG1 THR 5 -14.156 -9.891 -0.941 39 HG21 THR 5 HG21 THR 5 -10.825 -10.409 0.503 40 HG22 THR 5 HG22 THR 5 -11.126 -10.485 -1.233 41 HG23 THR 5 HG23 THR 5 -12.195 -11.332 -0.115 42 H THR 6 H THR 6 -12.288 -10.865 2.815 43 HA THR 6 HA THR 6 -10.950 -9.107 4.640 44 HB THR 6 HB THR 6 -10.882 -12.125 4.420 45 HG1 THR 6 HG1 THR 6 -12.764 -12.031 5.374 46 HG21 THR 6 HG21 THR 6 -10.047 -10.300 6.674 47 HG22 THR 6 HG22 THR 6 -8.975 -11.283 5.678 48 HG23 THR 6 HG23 THR 6 -10.131 -12.059 6.762 49 H VAL 7 H VAL 7 -8.996 -8.290 4.367 50 HA VAL 7 HA VAL 7 -7.224 -9.283 2.315 51 HB VAL 7 HB VAL 7 -6.732 -7.127 4.383 52 HG11 VAL 7 HG11 VAL 7 -4.665 -7.991 3.433 53 HG12 VAL 7 HG12 VAL 7 -4.982 -6.357 2.849 54 HG13 VAL 7 HG13 VAL 7 -5.294 -7.743 1.805 55 HG21 VAL 7 HG21 VAL 7 -7.708 -6.900 1.543 56 HG22 VAL 7 HG22 VAL 7 -7.279 -5.548 2.591 57 HG23 VAL 7 HG23 VAL 7 -8.649 -6.583 2.999 58 H CYS 8 H CYS 8 -6.624 -8.551 5.740 59 HA CYS 8 HA CYS 8 -5.544 -11.144 6.281 60 HG CYS 8 HG CYS 8 -2.194 -7.993 5.498 61 HB2 CYS 8 HB2 CYS 8 -3.261 -10.286 6.854 62 HB3 CYS 8 HB3 CYS 8 -3.619 -10.277 5.131 63 H LYS 9 H LYS 9 -4.270 -10.888 8.549 64 HA LYS 9 HA LYS 9 -6.266 -9.875 10.342 65 HB2 LYS 9 HB2 LYS 9 -3.546 -11.080 10.861 66 HB3 LYS 9 HB3 LYS 9 -4.688 -10.645 12.121 67 HG2 LYS 9 HG2 LYS 9 -6.305 -12.251 11.128 68 HG3 LYS 9 HG3 LYS 9 -5.036 -12.753 10.006 69 HD2 LYS 9 HD2 LYS 9 -3.620 -13.408 11.882 70 HD3 LYS 9 HD3 LYS 9 -4.862 -12.877 13.017 71 HE2 LYS 9 HE2 LYS 9 -6.402 -14.549 12.063 72 HE3 LYS 9 HE3 LYS 9 -5.111 -15.105 10.999 73 HZ1 LYS 9 HZ1 LYS 9 -5.262 -16.521 12.917 74 HZ2 LYS 9 HZ2 LYS 9 -5.108 -15.199 13.966 75 HZ3 LYS 9 HZ3 LYS 9 -3.802 -15.657 12.983 76 H LEU 10 H LEU 10 -6.257 -8.056 11.527 77 HA LEU 10 HA LEU 10 -4.384 -5.964 11.003 78 HG LEU 10 HG LEU 10 -4.917 -4.391 13.690 79 HB2 LEU 10 HB2 LEU 10 -6.752 -5.593 11.619 80 HB3 LEU 10 HB3 LEU 10 -6.434 -6.261 13.206 81 HD11 LEU 10 HD11 LEU 10 -4.154 -3.888 11.445 82 HD12 LEU 10 HD12 LEU 10 -4.873 -2.455 12.181 83 HD13 LEU 10 HD13 LEU 10 -5.779 -3.380 10.985 84 HD21 LEU 10 HD21 LEU 10 -7.273 -4.254 14.307 85 HD22 LEU 10 HD22 LEU 10 -7.648 -3.549 12.734 86 HD23 LEU 10 HD23 LEU 10 -6.634 -2.668 13.875 87 H ASP 11 H ASP 11 -4.254 -8.706 12.795 88 HA ASP 11 HA ASP 11 -2.599 -7.763 14.977 89 HB2 ASP 11 HB2 ASP 11 -4.232 -9.537 15.388 90 HB3 ASP 11 HB3 ASP 11 -3.502 -10.532 14.136 91 H ASP 12 H ASP 12 -2.233 -8.775 11.767 92 HA ASP 12 HA ASP 12 0.533 -9.664 12.178 93 HB2 ASP 12 HB2 ASP 12 -0.950 -11.118 10.822 94 HB3 ASP 12 HB3 ASP 12 -1.172 -9.799 9.679 95 H ILE 13 H ILE 13 -1.380 -7.085 10.931 96 HA ILE 13 HA ILE 13 0.547 -5.926 9.196 97 HB ILE 13 HB ILE 13 -1.747 -4.561 10.623 98 HG12 ILE 13 HG12 ILE 13 -1.641 -5.783 7.856 99 HG13 ILE 13 HG13 ILE 13 -2.422 -6.522 9.249 100 HG21 ILE 13 HG21 ILE 13 -0.209 -3.764 8.150 101 HG22 ILE 13 HG22 ILE 13 -0.095 -2.994 9.732 102 HG23 ILE 13 HG23 ILE 13 -1.602 -2.915 8.818 103 HD11 ILE 13 HD11 ILE 13 -4.049 -5.460 7.825 104 HD12 ILE 13 HD12 ILE 13 -3.192 -3.925 7.947 105 HD13 ILE 13 HD13 ILE 13 -3.961 -4.622 9.374 106 H LEU 14 H LEU 14 2.441 -5.122 9.803 107 HA LEU 14 HA LEU 14 3.085 -4.615 12.523 108 HG LEU 14 HG LEU 14 4.232 -6.465 10.321 109 HB2 LEU 14 HB2 LEU 14 4.628 -4.044 9.996 110 HB3 LEU 14 HB3 LEU 14 5.283 -3.949 11.616 111 HD11 LEU 14 HD11 LEU 14 7.061 -5.591 10.867 112 HD12 LEU 14 HD12 LEU 14 6.296 -5.676 9.281 113 HD13 LEU 14 HD13 LEU 14 6.564 -7.151 10.211 114 HD21 LEU 14 HD21 LEU 14 5.245 -7.594 12.246 115 HD22 LEU 14 HD22 LEU 14 3.963 -6.489 12.740 116 HD23 LEU 14 HD23 LEU 14 5.653 -6.027 12.946 117 HA PRO 15 HA PRO 15 1.816 -0.358 12.727 118 HB2 PRO 15 HB2 PRO 15 3.506 -0.245 15.130 119 HB3 PRO 15 HB3 PRO 15 1.759 -0.034 14.975 120 HG2 PRO 15 HG2 PRO 15 2.821 -2.213 16.133 121 HG3 PRO 15 HG3 PRO 15 1.333 -2.289 15.171 122 HD2 PRO 15 HD2 PRO 15 4.129 -3.040 14.396 123 HD3 PRO 15 HD3 PRO 15 2.602 -3.886 14.062 124 H GLY 16 H GLY 16 2.654 1.360 11.732 125 HA2 GLY 16 HA2 GLY 16 4.239 3.058 11.391 126 HA3 GLY 16 HA3 GLY 16 5.463 2.042 12.140 127 H THR 17 H THR 17 3.321 0.852 9.627 128 HA THR 17 HA THR 17 5.204 1.211 7.499 129 HB THR 17 HB THR 17 5.212 -1.523 7.381 130 HG1 THR 17 HG1 THR 17 4.438 -1.383 9.685 131 HG21 THR 17 HG21 THR 17 7.312 0.254 8.621 132 HG22 THR 17 HG22 THR 17 7.112 -0.075 6.900 133 HG23 THR 17 HG23 THR 17 7.584 -1.373 7.998 134 H GLY 18 H GLY 18 4.546 -0.097 5.535 135 HA2 GLY 18 HA2 GLY 18 1.926 -1.257 5.498 136 HA3 GLY 18 HA3 GLY 18 1.968 0.344 4.771 137 H VAL 19 H VAL 19 1.816 -2.674 3.847 138 HA VAL 19 HA VAL 19 3.616 -2.273 1.571 139 HB VAL 19 HB VAL 19 4.161 -4.690 1.541 140 HG11 VAL 19 HG11 VAL 19 4.924 -3.321 4.113 141 HG12 VAL 19 HG12 VAL 19 5.703 -3.078 2.550 142 HG13 VAL 19 HG13 VAL 19 5.786 -4.652 3.342 143 HG21 VAL 19 HG21 VAL 19 3.755 -6.041 3.555 144 HG22 VAL 19 HG22 VAL 19 2.252 -5.548 2.775 145 HG23 VAL 19 HG23 VAL 19 2.800 -4.723 4.235 146 H CYS 20 H CYS 20 3.129 -4.076 -0.139 147 HA CYS 20 HA CYS 20 0.375 -3.656 -0.853 148 HG CYS 20 HG CYS 20 3.785 -5.210 -3.640 149 HB2 CYS 20 HB2 CYS 20 1.137 -5.006 -2.920 150 HB3 CYS 20 HB3 CYS 20 1.823 -3.405 -2.666 151 H ALA 21 H ALA 21 -1.234 -5.073 -0.892 152 HA ALA 21 HA ALA 21 -0.632 -7.916 -0.402 153 HB1 ALA 21 HB1 ALA 21 -1.649 -6.920 1.593 154 HB2 ALA 21 HB2 ALA 21 -2.731 -8.096 0.841 155 HB3 ALA 21 HB3 ALA 21 -3.014 -6.370 0.623 156 H LEU 22 H LEU 22 -1.377 -9.235 -1.946 157 HA LEU 22 HA LEU 22 -2.921 -8.098 -4.113 158 HG LEU 22 HG LEU 22 -1.583 -10.730 -6.341 159 HB2 LEU 22 HB2 LEU 22 -0.903 -9.720 -4.291 160 HB3 LEU 22 HB3 LEU 22 -2.065 -10.972 -3.910 161 HD11 LEU 22 HD11 LEU 22 -3.891 -10.836 -7.095 162 HD12 LEU 22 HD12 LEU 22 -4.434 -10.144 -5.567 163 HD13 LEU 22 HD13 LEU 22 -3.675 -11.737 -5.593 164 HD21 LEU 22 HD21 LEU 22 -3.020 -8.096 -6.058 165 HD22 LEU 22 HD22 LEU 22 -2.487 -8.840 -7.566 166 HD23 LEU 22 HD23 LEU 22 -1.298 -8.300 -6.381 167 H VAL 23 H VAL 23 -4.994 -7.839 -3.563 168 HA VAL 23 HA VAL 23 -6.423 -10.114 -2.364 169 HB VAL 23 HB VAL 23 -7.300 -7.224 -2.517 170 HG11 VAL 23 HG11 VAL 23 -8.477 -9.567 -1.022 171 HG12 VAL 23 HG12 VAL 23 -9.176 -8.781 -2.439 172 HG13 VAL 23 HG13 VAL 23 -9.032 -7.895 -0.920 173 HG21 VAL 23 HG21 VAL 23 -6.174 -8.782 -0.191 174 HG22 VAL 23 HG22 VAL 23 -6.843 -7.154 -0.106 175 HG23 VAL 23 HG23 VAL 23 -5.380 -7.457 -1.043 176 H GLU 24 H GLU 24 -7.437 -11.322 -3.793 177 HA GLU 24 HA GLU 24 -8.565 -12.045 -5.606 178 HB2 GLU 24 HB2 GLU 24 -9.560 -9.193 -5.781 179 HB3 GLU 24 HB3 GLU 24 -10.219 -10.555 -6.675 180 HG2 GLU 24 HG2 GLU 24 -10.256 -10.169 -3.690 181 HG3 GLU 24 HG3 GLU 24 -11.628 -10.065 -4.791 182 H GLN 25 H GLN 25 -8.242 -8.840 -7.003 183 HA GLN 25 HA GLN 25 -5.985 -9.772 -8.652 184 HB2 GLN 25 HB2 GLN 25 -8.215 -8.046 -9.727 185 HB3 GLN 25 HB3 GLN 25 -6.921 -8.816 -10.628 186 HG2 GLN 25 HG2 GLN 25 -7.888 -10.994 -10.209 187 HG3 GLN 25 HG3 GLN 25 -9.154 -10.260 -9.226 188 HE21 GLN 25 HE21 GLN 25 -10.677 -8.882 -10.253 189 HE22 GLN 25 HE22 GLN 25 -11.044 -9.093 -11.937 190 H GLN 26 H GLN 26 -7.111 -7.614 -6.462 191 HA GLN 26 HA GLN 26 -6.057 -5.198 -7.686 192 HB2 GLN 26 HB2 GLN 26 -7.957 -5.849 -5.560 193 HB3 GLN 26 HB3 GLN 26 -6.901 -4.505 -5.167 194 HG2 GLN 26 HG2 GLN 26 -8.483 -4.654 -7.712 195 HG3 GLN 26 HG3 GLN 26 -9.088 -3.908 -6.233 196 HE21 GLN 26 HE21 GLN 26 -6.419 -2.930 -5.500 197 HE22 GLN 26 HE22 GLN 26 -6.122 -1.570 -6.521 198 H GLN 27 H GLN 27 -4.288 -4.142 -7.077 199 HA GLN 27 HA GLN 27 -2.613 -5.288 -4.963 200 HB2 GLN 27 HB2 GLN 27 -1.966 -3.255 -7.109 201 HB3 GLN 27 HB3 GLN 27 -0.823 -3.880 -5.931 202 HG2 GLN 27 HG2 GLN 27 -0.995 -6.088 -6.874 203 HG3 GLN 27 HG3 GLN 27 -2.254 -5.552 -7.986 204 HE21 GLN 27 HE21 GLN 27 1.140 -5.459 -7.234 205 HE22 GLN 27 HE22 GLN 27 1.673 -4.831 -8.757 206 H ILE 28 H ILE 28 -3.216 -4.428 -3.033 207 HA ILE 28 HA ILE 28 -3.519 -1.485 -2.896 208 HB ILE 28 HB ILE 28 -4.771 -3.411 -0.933 209 HG12 ILE 28 HG12 ILE 28 -6.921 -2.534 -2.290 210 HG13 ILE 28 HG13 ILE 28 -5.750 -2.563 -3.605 211 HG21 ILE 28 HG21 ILE 28 -4.484 -1.135 -0.154 212 HG22 ILE 28 HG22 ILE 28 -6.194 -1.491 -0.391 213 HG23 ILE 28 HG23 ILE 28 -5.322 -0.522 -1.579 214 HD11 ILE 28 HD11 ILE 28 -6.434 -4.890 -1.826 215 HD12 ILE 28 HD12 ILE 28 -5.304 -4.910 -3.180 216 HD13 ILE 28 HD13 ILE 28 -7.024 -4.638 -3.469 217 H ALA 29 H ALA 29 -2.422 -0.409 -1.294 218 HA ALA 29 HA ALA 29 -0.542 -2.004 0.304 219 HB1 ALA 29 HB1 ALA 29 0.723 0.067 0.575 220 HB2 ALA 29 HB2 ALA 29 -0.504 0.946 -0.337 221 HB3 ALA 29 HB3 ALA 29 0.468 -0.295 -1.131 222 H VAL 30 H VAL 30 -0.685 -2.016 2.485 223 HA VAL 30 HA VAL 30 -2.969 -0.506 3.610 224 HB VAL 30 HB VAL 30 -1.753 -3.055 4.700 225 HG11 VAL 30 HG11 VAL 30 -2.832 -1.664 6.389 226 HG12 VAL 30 HG12 VAL 30 -3.763 -3.132 6.094 227 HG13 VAL 30 HG13 VAL 30 -4.298 -1.597 5.411 228 HG21 VAL 30 HG21 VAL 30 -2.798 -3.509 2.557 229 HG22 VAL 30 HG22 VAL 30 -4.262 -2.665 3.065 230 HG23 VAL 30 HG23 VAL 30 -3.788 -4.168 3.858 231 H PHE 31 H PHE 31 -2.082 1.300 4.367 232 HA PHE 31 HA PHE 31 0.438 1.396 5.737 233 HD1 PHE 31 HD2 PHE 31 -1.715 2.721 3.011 234 HD2 PHE 31 HD1 PHE 31 1.484 4.606 5.082 235 HE1 PHE 31 HE2 PHE 31 -0.784 3.486 0.868 236 HE2 PHE 31 HE1 PHE 31 2.420 5.378 2.945 237 HZ PHE 31 HZ PHE 31 1.283 4.816 0.831 238 HB2 PHE 31 HB2 PHE 31 -1.805 3.414 5.492 239 HB3 PHE 31 HB3 PHE 31 -0.274 3.744 6.285 240 H ARG 32 H ARG 32 0.708 0.755 7.830 241 HA ARG 32 HA ARG 32 -1.457 1.506 9.667 242 HE ARG 32 HE ARG 32 -1.322 -0.502 14.167 243 HB2 ARG 32 HB2 ARG 32 -0.718 -0.902 9.765 244 HB3 ARG 32 HB3 ARG 32 0.852 -0.327 10.319 245 HG2 ARG 32 HG2 ARG 32 -0.139 0.635 12.291 246 HG3 ARG 32 HG3 ARG 32 -1.756 0.234 11.716 247 HD2 ARG 32 HD2 ARG 32 -1.186 -2.154 11.828 248 HD3 ARG 32 HD3 ARG 32 0.411 -1.734 12.448 249 HH11 ARG 32 HH11 ARG 32 -0.837 -3.806 13.098 250 HH12 ARG 32 HH12 ARG 32 -1.515 -4.507 14.533 251 HH21 ARG 32 HH21 ARG 32 -2.165 -1.426 16.082 252 HH22 ARG 32 HH22 ARG 32 -2.245 -3.150 16.249 253 HA PRO 33 HA PRO 33 1.758 4.662 9.997 254 HB2 PRO 33 HB2 PRO 33 0.148 6.783 10.336 255 HB3 PRO 33 HB3 PRO 33 0.350 6.011 8.761 256 HG2 PRO 33 HG2 PRO 33 -1.884 5.739 10.727 257 HG3 PRO 33 HG3 PRO 33 -1.957 5.869 8.961 258 HD2 PRO 33 HD2 PRO 33 -2.137 3.501 10.356 259 HD3 PRO 33 HD3 PRO 33 -1.614 3.633 8.666 260 H ARG 34 H ARG 34 -0.595 3.662 12.231 261 HA ARG 34 HA ARG 34 0.853 5.058 14.380 262 HE ARG 34 HE ARG 34 -1.480 7.515 16.443 263 HB2 ARG 34 HB2 ARG 34 -2.015 4.095 14.405 264 HB3 ARG 34 HB3 ARG 34 -1.186 4.880 15.741 265 HG2 ARG 34 HG2 ARG 34 -0.864 6.854 14.157 266 HG3 ARG 34 HG3 ARG 34 -2.064 6.062 13.132 267 HD2 ARG 34 HD2 ARG 34 -3.178 7.660 14.548 268 HD3 ARG 34 HD3 ARG 34 -3.622 6.032 15.060 269 HH11 ARG 34 HH11 ARG 34 -4.596 5.896 16.505 270 HH12 ARG 34 HH12 ARG 34 -4.687 5.874 18.241 271 HH21 ARG 34 HH21 ARG 34 -1.614 7.496 18.732 272 HH22 ARG 34 HH22 ARG 34 -2.993 6.764 19.498 273 H ASN 35 H ASN 35 0.971 3.879 16.424 274 HA ASN 35 HA ASN 35 1.554 1.076 16.045 275 HB2 ASN 35 HB2 ASN 35 1.655 2.898 18.457 276 HB3 ASN 35 HB3 ASN 35 2.026 1.180 18.551 277 HD21 ASN 35 HD21 ASN 35 4.143 1.655 19.206 278 HD22 ASN 35 HD22 ASN 35 5.339 2.217 18.087 279 H ASP 36 H ASP 36 -1.196 2.745 16.399 280 HA ASP 36 HA ASP 36 -2.581 0.846 18.113 281 HB2 ASP 36 HB2 ASP 36 -3.018 3.286 18.353 282 HB3 ASP 36 HB3 ASP 36 -3.659 3.308 16.714 283 H GLU 37 H GLU 37 -4.955 0.460 17.106 284 HA GLU 37 HA GLU 37 -4.384 -1.240 14.831 285 HB2 GLU 37 HB2 GLU 37 -6.784 -0.957 16.641 286 HB3 GLU 37 HB3 GLU 37 -6.673 -2.130 15.335 287 HG2 GLU 37 HG2 GLU 37 -4.796 -3.205 16.401 288 HG3 GLU 37 HG3 GLU 37 -4.771 -1.975 17.663 289 H GLN 38 H GLN 38 -4.275 1.360 14.024 290 HA GLN 38 HA GLN 38 -6.755 1.673 12.463 291 HB2 GLN 38 HB2 GLN 38 -6.133 3.508 14.159 292 HB3 GLN 38 HB3 GLN 38 -4.818 3.908 13.064 293 HG2 GLN 38 HG2 GLN 38 -7.683 3.831 12.171 294 HG3 GLN 38 HG3 GLN 38 -6.949 5.268 12.873 295 HE21 GLN 38 HE21 GLN 38 -8.036 4.676 10.183 296 HE22 GLN 38 HE22 GLN 38 -6.762 5.075 9.082 297 H VAL 39 H VAL 39 -6.559 1.553 10.300 298 HA VAL 39 HA VAL 39 -3.860 1.707 9.138 299 HB VAL 39 HB VAL 39 -4.434 -0.216 7.647 300 HG11 VAL 39 HG11 VAL 39 -4.353 -0.817 10.600 301 HG12 VAL 39 HG12 VAL 39 -2.959 -0.495 9.568 302 HG13 VAL 39 HG13 VAL 39 -3.936 -1.941 9.305 303 HG21 VAL 39 HG21 VAL 39 -6.864 -0.163 7.911 304 HG22 VAL 39 HG22 VAL 39 -6.695 -0.622 9.606 305 HG23 VAL 39 HG23 VAL 39 -6.216 -1.748 8.335 306 H TYR 40 H TYR 40 -3.819 1.932 6.815 307 HA TYR 40 HA TYR 40 -6.259 3.040 5.604 308 HD1 TYR 40 HD1 TYR 40 -6.856 5.669 4.976 309 HD2 TYR 40 HD2 TYR 40 -3.584 5.378 7.679 310 HE1 TYR 40 HE1 TYR 40 -7.835 7.464 6.341 311 HE2 TYR 40 HE2 TYR 40 -4.558 7.167 9.055 312 HH TYR 40 HH TYR 40 -6.108 9.040 8.816 313 HB2 TYR 40 HB2 TYR 40 -3.497 4.238 5.626 314 HB3 TYR 40 HB3 TYR 40 -4.637 4.601 4.341 315 H ALA 41 H ALA 41 -6.734 1.510 4.103 316 HA ALA 41 HA ALA 41 -4.547 0.321 2.571 317 HB1 ALA 41 HB1 ALA 41 -6.172 -1.313 1.814 318 HB2 ALA 41 HB2 ALA 41 -7.466 -0.425 2.619 319 HB3 ALA 41 HB3 ALA 41 -6.195 -1.187 3.574 320 H ILE 42 H ILE 42 -3.943 1.679 0.990 321 HA ILE 42 HA ILE 42 -6.009 2.405 -0.973 322 HB ILE 42 HB ILE 42 -4.801 4.513 -1.461 323 HG12 ILE 42 HG12 ILE 42 -3.260 3.854 1.058 324 HG13 ILE 42 HG13 ILE 42 -2.598 3.893 -0.573 325 HG21 ILE 42 HG21 ILE 42 -5.780 4.227 1.377 326 HG22 ILE 42 HG22 ILE 42 -6.767 4.564 -0.046 327 HG23 ILE 42 HG23 ILE 42 -5.589 5.752 0.512 328 HD11 ILE 42 HD11 ILE 42 -3.736 6.241 0.924 329 HD12 ILE 42 HD12 ILE 42 -3.063 6.282 -0.706 330 HD13 ILE 42 HD13 ILE 42 -2.024 5.900 0.668 331 H SER 43 H SER 43 -5.143 2.681 -3.181 332 HA SER 43 HA SER 43 -3.205 0.542 -3.589 333 HG SER 43 HG SER 43 -5.806 0.511 -3.724 334 HB2 SER 43 HB2 SER 43 -4.954 1.955 -5.610 335 HB3 SER 43 HB3 SER 43 -4.036 0.471 -5.872 336 H ASN 44 H ASN 44 -1.287 1.701 -3.045 337 HA ASN 44 HA ASN 44 -0.315 3.251 -5.341 338 HB2 ASN 44 HB2 ASN 44 1.034 4.691 -3.756 339 HB3 ASN 44 HB3 ASN 44 -0.695 4.998 -3.788 340 HD21 ASN 44 HD21 ASN 44 -0.425 6.029 -1.774 341 HD22 ASN 44 HD22 ASN 44 -0.308 5.110 -0.318 342 H ILE 45 H ILE 45 0.367 0.981 -5.717 343 HA ILE 45 HA ILE 45 2.458 -0.085 -4.029 344 HB ILE 45 HB ILE 45 1.600 -1.211 -6.686 345 HG12 ILE 45 HG12 ILE 45 -0.462 -0.773 -5.454 346 HG13 ILE 45 HG13 ILE 45 -0.144 -2.503 -5.500 347 HG21 ILE 45 HG21 ILE 45 2.621 -2.484 -4.153 348 HG22 ILE 45 HG22 ILE 45 3.518 -2.259 -5.656 349 HG23 ILE 45 HG23 ILE 45 2.137 -3.355 -5.608 350 HD11 ILE 45 HD11 ILE 45 -0.942 -1.818 -3.321 351 HD12 ILE 45 HD12 ILE 45 0.390 -0.671 -3.179 352 HD13 ILE 45 HD13 ILE 45 0.720 -2.403 -3.223 353 H ASP 46 H ASP 46 2.267 1.955 -6.649 354 HA ASP 46 HA ASP 46 3.718 2.880 -8.118 355 HB2 ASP 46 HB2 ASP 46 5.212 3.206 -6.218 356 HB3 ASP 46 HB3 ASP 46 5.820 1.561 -6.388 357 HA PRO 47 HA PRO 47 3.781 -0.534 -10.894 358 HB2 PRO 47 HB2 PRO 47 4.359 1.342 -13.027 359 HB3 PRO 47 HB3 PRO 47 2.855 0.488 -12.680 360 HG2 PRO 47 HG2 PRO 47 3.158 3.182 -12.387 361 HG3 PRO 47 HG3 PRO 47 2.011 2.220 -11.441 362 HD2 PRO 47 HD2 PRO 47 4.712 3.251 -10.668 363 HD3 PRO 47 HD3 PRO 47 3.220 3.161 -9.705 364 H PHE 48 H PHE 48 6.478 1.318 -10.112 365 HA PHE 48 HA PHE 48 8.170 0.016 -12.122 366 HD1 PHE 48 HD1 PHE 48 9.905 1.436 -13.624 367 HD2 PHE 48 HD2 PHE 48 11.068 1.857 -9.549 368 HE1 PHE 48 HE1 PHE 48 12.266 1.221 -14.278 369 HE2 PHE 48 HE2 PHE 48 13.431 1.646 -10.199 370 HZ PHE 48 HZ PHE 48 14.033 1.326 -12.565 371 HB2 PHE 48 HB2 PHE 48 8.402 2.457 -11.842 372 HB3 PHE 48 HB3 PHE 48 8.839 2.216 -10.154 373 H ALA 49 H ALA 49 7.495 0.087 -8.695 374 HA ALA 49 HA ALA 49 9.792 -1.700 -8.214 375 HB1 ALA 49 HB1 ALA 49 8.242 -0.041 -6.229 376 HB2 ALA 49 HB2 ALA 49 9.812 0.377 -6.916 377 HB3 ALA 49 HB3 ALA 49 9.654 -1.040 -5.879 378 H GLN 50 H GLN 50 6.348 -1.305 -7.870 379 HA GLN 50 HA GLN 50 4.667 -2.756 -7.559 380 HB2 GLN 50 HB2 GLN 50 6.803 -4.813 -8.115 381 HB3 GLN 50 HB3 GLN 50 5.091 -5.179 -7.999 382 HG2 GLN 50 HG2 GLN 50 6.285 -3.278 -9.999 383 HG3 GLN 50 HG3 GLN 50 5.929 -4.974 -10.316 384 HE21 GLN 50 HE21 GLN 50 4.869 -2.607 -11.615 385 HE22 GLN 50 HE22 GLN 50 3.152 -2.681 -11.417 386 H ALA 51 H ALA 51 6.644 -2.084 -5.284 387 HA ALA 51 HA ALA 51 5.655 -4.144 -3.419 388 HB1 ALA 51 HB1 ALA 51 7.789 -4.109 -2.236 389 HB2 ALA 51 HB2 ALA 51 8.436 -2.971 -3.417 390 HB3 ALA 51 HB3 ALA 51 8.005 -4.608 -3.914 391 H SER 52 H SER 52 4.896 -1.325 -4.148 392 HA SER 52 HA SER 52 3.963 0.437 -3.082 393 HG SER 52 HG SER 52 3.213 -2.417 -2.015 394 HB2 SER 52 HB2 SER 52 4.337 -1.172 -0.549 395 HB3 SER 52 HB3 SER 52 3.190 0.143 -0.815 396 H VAL 53 H VAL 53 6.362 1.080 -3.727 397 HA VAL 53 HA VAL 53 7.975 1.829 -1.447 398 HB VAL 53 HB VAL 53 9.393 3.051 -3.086 399 HG11 VAL 53 HG11 VAL 53 10.205 1.030 -4.244 400 HG12 VAL 53 HG12 VAL 53 8.750 0.179 -3.727 401 HG13 VAL 53 HG13 VAL 53 9.903 0.764 -2.528 402 HG21 VAL 53 HG21 VAL 53 7.677 3.650 -4.703 403 HG22 VAL 53 HG22 VAL 53 7.445 1.948 -5.106 404 HG23 VAL 53 HG23 VAL 53 8.975 2.742 -5.478 405 H LEU 54 H LEU 54 5.339 3.100 -3.136 406 HA LEU 54 HA LEU 54 5.682 5.840 -2.381 407 HG LEU 54 HG LEU 54 4.510 4.069 -4.923 408 HB2 LEU 54 HB2 LEU 54 3.094 4.393 -2.972 409 HB3 LEU 54 HB3 LEU 54 3.372 6.124 -3.025 410 HD11 LEU 54 HD11 LEU 54 2.150 4.536 -5.279 411 HD12 LEU 54 HD12 LEU 54 3.129 5.201 -6.587 412 HD13 LEU 54 HD13 LEU 54 2.488 6.266 -5.335 413 HD21 LEU 54 HD21 LEU 54 6.103 5.893 -4.505 414 HD22 LEU 54 HD22 LEU 54 4.858 7.066 -4.941 415 HD23 LEU 54 HD23 LEU 54 5.464 5.931 -6.148 416 H SER 55 H SER 55 4.621 2.930 -0.906 417 HA SER 55 HA SER 55 3.385 4.247 1.367 418 HG SER 55 HG SER 55 1.792 2.572 -0.103 419 HB2 SER 55 HB2 SER 55 3.979 1.309 1.206 420 HB3 SER 55 HB3 SER 55 2.610 2.128 1.962 421 H ARG 56 H ARG 56 6.259 2.397 0.526 422 HA ARG 56 HA ARG 56 7.385 2.498 3.175 423 HE ARG 56 HE ARG 56 8.176 -2.248 2.973 424 HB2 ARG 56 HB2 ARG 56 8.398 1.554 0.501 425 HB3 ARG 56 HB3 ARG 56 9.449 1.627 1.909 426 HG2 ARG 56 HG2 ARG 56 8.012 0.082 3.099 427 HG3 ARG 56 HG3 ARG 56 6.888 0.052 1.740 428 HD2 ARG 56 HD2 ARG 56 8.466 -1.034 0.344 429 HD3 ARG 56 HD3 ARG 56 9.778 -0.747 1.486 430 HH11 ARG 56 HH11 ARG 56 9.121 -2.667 -0.383 431 HH12 ARG 56 HH12 ARG 56 9.017 -4.403 -0.318 432 HH21 ARG 56 HH21 ARG 56 8.107 -4.541 3.052 433 HH22 ARG 56 HH22 ARG 56 8.463 -5.452 1.613 434 H GLY 57 H GLY 57 6.711 5.036 1.866 435 HA2 GLY 57 HA2 GLY 57 9.360 6.263 1.558 436 HA3 GLY 57 HA3 GLY 57 7.823 7.011 1.137 437 H ILE 58 H ILE 58 8.167 8.872 2.340 438 HA ILE 58 HA ILE 58 8.496 8.528 5.240 439 HB ILE 58 HB ILE 58 8.620 11.065 3.594 440 HG12 ILE 58 HG12 ILE 58 10.496 9.562 3.116 441 HG13 ILE 58 HG13 ILE 58 11.041 10.982 4.004 442 HG21 ILE 58 HG21 ILE 58 9.517 12.098 5.624 443 HG22 ILE 58 HG22 ILE 58 9.274 10.585 6.497 444 HG23 ILE 58 HG23 ILE 58 7.885 11.478 5.876 445 HD11 ILE 58 HD11 ILE 58 12.124 8.963 4.799 446 HD12 ILE 58 HD12 ILE 58 10.553 8.250 5.168 447 HD13 ILE 58 HD13 ILE 58 11.108 9.670 6.056 448 H VAL 59 H VAL 59 6.603 8.071 6.093 449 HA VAL 59 HA VAL 59 4.174 9.402 5.254 450 HB VAL 59 HB VAL 59 4.677 7.469 7.522 451 HG11 VAL 59 HG11 VAL 59 2.683 8.842 7.902 452 HG12 VAL 59 HG12 VAL 59 2.243 7.169 7.561 453 HG13 VAL 59 HG13 VAL 59 2.068 8.400 6.310 454 HG21 VAL 59 HG21 VAL 59 5.122 6.480 5.340 455 HG22 VAL 59 HG22 VAL 59 3.532 6.990 4.773 456 HG23 VAL 59 HG23 VAL 59 3.666 5.788 6.058 457 H ALA 60 H ALA 60 4.337 11.545 5.791 458 HA ALA 60 HA ALA 60 5.013 12.174 8.590 459 HB1 ALA 60 HB1 ALA 60 5.787 14.339 7.807 460 HB2 ALA 60 HB2 ALA 60 5.324 13.926 6.155 461 HB3 ALA 60 HB3 ALA 60 6.622 13.039 6.955 462 H GLU 61 H GLU 61 4.127 14.527 9.065 463 HA GLU 61 HA GLU 61 1.276 14.521 8.397 464 HB2 GLU 61 HB2 GLU 61 2.768 15.224 10.914 465 HB3 GLU 61 HB3 GLU 61 1.131 15.779 10.628 466 HG2 GLU 61 HG2 GLU 61 0.264 13.607 10.651 467 HG3 GLU 61 HG3 GLU 61 1.859 12.888 10.455 468 H HIS 62 H HIS 62 0.263 16.537 8.170 469 HA HIS 62 HA HIS 62 2.042 18.875 7.882 470 HD2 HIS 62 HD2 HIS 62 -1.124 20.718 5.208 471 HE1 HIS 62 HE1 HIS 62 2.749 22.347 4.740 472 HE2 HIS 62 HE2 HIS 62 0.294 22.635 4.181 473 HB2 HIS 62 HB2 HIS 62 1.224 17.884 5.675 474 HB3 HIS 62 HB3 HIS 62 -0.401 18.341 6.168 475 H GLN 63 H GLN 63 0.843 18.138 10.193 476 HA GLN 63 HA GLN 63 -0.489 18.749 11.891 477 HB2 GLN 63 HB2 GLN 63 -1.125 21.093 10.100 478 HB3 GLN 63 HB3 GLN 63 -1.777 20.916 11.723 479 HG2 GLN 63 HG2 GLN 63 0.514 20.857 12.615 480 HG3 GLN 63 HG3 GLN 63 1.131 21.114 10.983 481 HE21 GLN 63 HE21 GLN 63 2.122 23.029 11.605 482 HE22 GLN 63 HE22 GLN 63 1.224 24.482 11.896 483 H ASP 64 H ASP 64 -1.858 17.183 12.114 484 HA ASP 64 HA ASP 64 -3.859 16.129 12.243 485 HB2 ASP 64 HB2 ASP 64 -5.024 18.247 12.258 486 HB3 ASP 64 HB3 ASP 64 -4.885 18.379 10.507 487 H ASP 65 H ASP 65 -3.330 17.332 8.929 488 HA ASP 65 HA ASP 65 -4.384 14.935 7.760 489 HB2 ASP 65 HB2 ASP 65 -2.941 17.316 6.606 490 HB3 ASP 65 HB3 ASP 65 -3.387 15.926 5.626 491 H LEU 66 H LEU 66 -3.315 13.298 6.767 492 HA LEU 66 HA LEU 66 -0.502 12.955 7.521 493 HG LEU 66 HG LEU 66 -2.942 11.742 9.012 494 HB2 LEU 66 HB2 LEU 66 -2.575 10.911 6.698 495 HB3 LEU 66 HB3 LEU 66 -0.915 10.545 7.120 496 HD11 LEU 66 HD11 LEU 66 -2.944 9.536 10.072 497 HD12 LEU 66 HD12 LEU 66 -1.898 8.921 8.793 498 HD13 LEU 66 HD13 LEU 66 -3.534 9.458 8.413 499 HD21 LEU 66 HD21 LEU 66 -1.284 11.246 10.726 500 HD22 LEU 66 HD22 LEU 66 -0.630 12.355 9.520 501 HD23 LEU 66 HD23 LEU 66 -0.173 10.652 9.494 502 H TRP 67 H TRP 67 0.971 13.158 5.979 503 HA TRP 67 HA TRP 67 0.146 12.726 3.185 504 HD1 TRP 67 HD1 TRP 67 -0.339 15.697 5.616 505 HE1 TRP 67 HE1 TRP 67 -2.172 17.286 4.771 506 HE3 TRP 67 HE3 TRP 67 0.497 15.300 0.587 507 HZ2 TRP 67 HZ2 TRP 67 -3.149 18.235 2.296 508 HZ3 TRP 67 HZ3 TRP 67 -0.941 16.572 -0.951 509 HH2 TRP 67 HH2 TRP 67 -2.728 18.007 -0.112 510 HB2 TRP 67 HB2 TRP 67 1.982 14.879 4.257 511 HB3 TRP 67 HB3 TRP 67 1.735 14.537 2.550 512 H VAL 68 H VAL 68 1.218 11.052 2.368 513 HA VAL 68 HA VAL 68 3.820 10.361 3.491 514 HB VAL 68 HB VAL 68 2.231 8.531 3.249 515 HG11 VAL 68 HG11 VAL 68 1.545 7.708 1.057 516 HG12 VAL 68 HG12 VAL 68 2.338 9.084 0.291 517 HG13 VAL 68 HG13 VAL 68 0.949 9.342 1.347 518 HG21 VAL 68 HG21 VAL 68 4.595 8.021 3.082 519 HG22 VAL 68 HG22 VAL 68 4.553 8.319 1.345 520 HG23 VAL 68 HG23 VAL 68 3.662 6.958 2.027 521 H ALA 69 H ALA 69 5.681 10.733 2.507 522 HA ALA 69 HA ALA 69 5.621 11.818 -0.228 523 HB1 ALA 69 HB1 ALA 69 7.778 12.847 0.299 524 HB2 ALA 69 HB2 ALA 69 7.740 12.115 1.903 525 HB3 ALA 69 HB3 ALA 69 6.543 13.333 1.461 526 H SER 70 H SER 70 6.218 10.458 -1.757 527 HA SER 70 HA SER 70 7.576 7.997 -1.120 528 HG SER 70 HG SER 70 5.375 9.576 -3.754 529 HB2 SER 70 HB2 SER 70 7.321 7.659 -3.644 530 HB3 SER 70 HB3 SER 70 5.831 7.810 -2.712 531 HA PRO 71 HA PRO 71 11.649 9.517 -1.930 532 HB2 PRO 71 HB2 PRO 71 12.901 7.140 -2.386 533 HB3 PRO 71 HB3 PRO 71 12.451 7.714 -0.777 534 HG2 PRO 71 HG2 PRO 71 11.056 5.746 -2.546 535 HG3 PRO 71 HG3 PRO 71 11.320 5.686 -0.793 536 HD2 PRO 71 HD2 PRO 71 8.960 6.429 -1.898 537 HD3 PRO 71 HD3 PRO 71 9.545 7.082 -0.356 538 H LEU 72 H LEU 72 10.069 7.364 -4.218 539 HA LEU 72 HA LEU 72 12.014 7.930 -6.290 540 HG LEU 72 HG LEU 72 11.116 5.148 -5.029 541 HB2 LEU 72 HB2 LEU 72 9.464 6.317 -6.362 542 HB3 LEU 72 HB3 LEU 72 10.592 6.461 -7.696 543 HD11 LEU 72 HD11 LEU 72 9.751 3.815 -6.522 544 HD12 LEU 72 HD12 LEU 72 11.369 3.125 -6.399 545 HD13 LEU 72 HD13 LEU 72 10.910 4.050 -7.830 546 HD21 LEU 72 HD21 LEU 72 13.107 6.325 -5.811 547 HD22 LEU 72 HD22 LEU 72 12.973 5.525 -7.378 548 HD23 LEU 72 HD23 LEU 72 13.313 4.577 -5.930 549 H LYS 73 H LYS 73 8.523 8.470 -5.822 550 HA LYS 73 HA LYS 73 8.389 10.084 -8.209 551 HB2 LYS 73 HB2 LYS 73 6.274 9.553 -6.114 552 HB3 LYS 73 HB3 LYS 73 6.007 10.300 -7.683 553 HG2 LYS 73 HG2 LYS 73 6.919 7.477 -7.178 554 HG3 LYS 73 HG3 LYS 73 5.328 7.988 -7.745 555 HD2 LYS 73 HD2 LYS 73 6.283 8.837 -9.793 556 HD3 LYS 73 HD3 LYS 73 7.913 8.489 -9.215 557 HE2 LYS 73 HE2 LYS 73 7.416 6.105 -9.200 558 HE3 LYS 73 HE3 LYS 73 5.765 6.434 -9.729 559 HZ1 LYS 73 HZ1 LYS 73 8.241 7.027 -11.260 560 HZ2 LYS 73 HZ2 LYS 73 6.666 7.400 -11.766 561 HZ3 LYS 73 HZ3 LYS 73 7.138 5.784 -11.593 562 H LYS 74 H LYS 74 8.510 10.559 -4.759 563 HA LYS 74 HA LYS 74 8.857 12.358 -3.450 564 HB2 LYS 74 HB2 LYS 74 9.787 13.622 -6.032 565 HB3 LYS 74 HB3 LYS 74 10.043 14.304 -4.430 566 HG2 LYS 74 HG2 LYS 74 11.264 12.198 -3.830 567 HG3 LYS 74 HG3 LYS 74 11.160 11.736 -5.528 568 HD2 LYS 74 HD2 LYS 74 13.317 12.773 -4.991 569 HD3 LYS 74 HD3 LYS 74 12.404 13.724 -6.166 570 HE2 LYS 74 HE2 LYS 74 11.830 15.349 -4.564 571 HE3 LYS 74 HE3 LYS 74 12.293 14.305 -3.221 572 HZ1 LYS 74 HZ1 LYS 74 14.566 14.575 -3.735 573 HZ2 LYS 74 HZ2 LYS 74 13.889 16.131 -3.763 574 HZ3 LYS 74 HZ3 LYS 74 14.232 15.326 -5.220 575 H GLN 75 H GLN 75 6.281 11.929 -4.452 576 HA GLN 75 HA GLN 75 5.247 14.681 -4.451 577 HB2 GLN 75 HB2 GLN 75 4.095 12.159 -5.645 578 HB3 GLN 75 HB3 GLN 75 3.131 13.607 -5.388 579 HG2 GLN 75 HG2 GLN 75 4.532 14.866 -6.878 580 HG3 GLN 75 HG3 GLN 75 5.642 13.509 -7.043 581 HE21 GLN 75 HE21 GLN 75 5.384 13.535 -9.262 582 HE22 GLN 75 HE22 GLN 75 3.966 12.919 -10.033 583 H HIS 76 H HIS 76 3.538 15.170 -3.072 584 HA HIS 76 HA HIS 76 3.468 13.489 -0.681 585 HD1 HIS 76 HD1 HIS 76 4.951 17.189 -1.562 586 HD2 HIS 76 HD2 HIS 76 4.348 15.107 1.994 587 HE1 HIS 76 HE1 HIS 76 6.957 17.691 -0.125 588 HE2 HIS 76 HE2 HIS 76 6.462 16.591 2.097 589 HB2 HIS 76 HB2 HIS 76 2.559 16.308 -1.256 590 HB3 HIS 76 HB3 HIS 76 2.173 15.484 0.248 591 H PHE 77 H PHE 77 1.929 12.020 -0.495 592 HA PHE 77 HA PHE 77 -0.662 12.502 -1.808 593 HD1 PHE 77 HD2 PHE 77 -0.655 10.909 -4.102 594 HD2 PHE 77 HD1 PHE 77 2.486 9.489 -1.603 595 HE1 PHE 77 HE2 PHE 77 0.740 10.512 -6.088 596 HE2 PHE 77 HE1 PHE 77 3.884 9.086 -3.589 597 HZ PHE 77 HZ PHE 77 3.013 9.598 -5.832 598 HB2 PHE 77 HB2 PHE 77 0.382 9.891 -0.690 599 HB3 PHE 77 HB3 PHE 77 -1.027 10.118 -1.717 600 H ARG 78 H ARG 78 -2.295 13.136 -0.519 601 HA ARG 78 HA ARG 78 -2.056 12.824 2.357 602 HE ARG 78 HE ARG 78 -6.159 15.453 1.180 603 HB2 ARG 78 HB2 ARG 78 -2.985 14.921 1.347 604 HB3 ARG 78 HB3 ARG 78 -4.375 13.991 0.803 605 HG2 ARG 78 HG2 ARG 78 -4.986 13.487 3.085 606 HG3 ARG 78 HG3 ARG 78 -3.534 14.292 3.678 607 HD2 ARG 78 HD2 ARG 78 -5.315 15.817 3.981 608 HD3 ARG 78 HD3 ARG 78 -4.390 16.394 2.597 609 HH11 ARG 78 HH11 ARG 78 -6.848 16.055 4.568 610 HH12 ARG 78 HH12 ARG 78 -8.570 16.189 4.317 611 HH21 ARG 78 HH21 ARG 78 -8.436 15.677 0.857 612 HH22 ARG 78 HH22 ARG 78 -9.460 15.997 2.221 613 H LEU 79 H LEU 79 -3.015 11.308 3.557 614 HA LEU 79 HA LEU 79 -4.190 9.064 2.264 615 HG LEU 79 HG LEU 79 -1.793 9.540 4.308 616 HB2 LEU 79 HB2 LEU 79 -4.055 9.713 5.211 617 HB3 LEU 79 HB3 LEU 79 -4.466 8.152 4.526 618 HD11 LEU 79 HD11 LEU 79 -0.988 7.687 5.678 619 HD12 LEU 79 HD12 LEU 79 -2.630 7.053 5.793 620 HD13 LEU 79 HD13 LEU 79 -2.234 8.611 6.518 621 HD21 LEU 79 HD21 LEU 79 -1.035 7.460 3.239 622 HD22 LEU 79 HD22 LEU 79 -2.257 8.294 2.280 623 HD23 LEU 79 HD23 LEU 79 -2.698 6.873 3.227 624 H TYR 80 H TYR 80 -6.038 9.549 1.260 625 HA TYR 80 HA TYR 80 -8.446 9.710 2.810 626 HD1 TYR 80 HD2 TYR 80 -10.126 11.488 3.766 627 HD2 TYR 80 HD1 TYR 80 -9.595 12.575 -0.314 628 HE1 TYR 80 HE2 TYR 80 -12.502 12.103 3.624 629 HE2 TYR 80 HE1 TYR 80 -11.969 13.199 -0.464 630 HH TYR 80 HH TYR 80 -14.076 12.732 0.647 631 HB2 TYR 80 HB2 TYR 80 -7.815 12.105 2.696 632 HB3 TYR 80 HB3 TYR 80 -7.732 11.995 0.942 633 H ASP 81 H ASP 81 -7.300 10.514 -0.436 634 HA ASP 81 HA ASP 81 -8.479 8.039 -1.451 635 HB2 ASP 81 HB2 ASP 81 -9.004 10.804 -2.499 636 HB3 ASP 81 HB3 ASP 81 -8.960 9.445 -3.617 637 H GLY 82 H GLY 82 -7.058 10.692 -3.245 638 HA2 GLY 82 HA2 GLY 82 -4.413 9.530 -3.200 639 HA3 GLY 82 HA3 GLY 82 -5.239 9.409 -4.749 640 H PHE 83 H PHE 83 -5.597 12.052 -2.485 641 HA PHE 83 HA PHE 83 -5.154 13.966 -4.547 642 HD1 PHE 83 HD2 PHE 83 -7.494 12.730 -1.764 643 HD2 PHE 83 HD1 PHE 83 -7.207 16.328 -4.018 644 HE1 PHE 83 HE2 PHE 83 -9.906 12.624 -2.230 645 HE2 PHE 83 HE1 PHE 83 -9.621 16.233 -4.482 646 HZ PHE 83 HZ PHE 83 -10.973 14.380 -3.589 647 HB2 PHE 83 HB2 PHE 83 -5.549 14.269 -1.566 648 HB3 PHE 83 HB3 PHE 83 -5.399 15.630 -2.674 649 H CYS 84 H CYS 84 -3.297 14.704 -5.235 650 HA CYS 84 HA CYS 84 -0.913 14.356 -3.560 651 HG CYS 84 HG CYS 84 -2.334 12.440 -5.575 652 HB2 CYS 84 HB2 CYS 84 -0.977 15.097 -6.482 653 HB3 CYS 84 HB3 CYS 84 0.358 14.410 -5.565 654 H LEU 85 H LEU 85 0.436 16.061 -3.075 655 HA LEU 85 HA LEU 85 -0.895 18.555 -2.755 656 HG LEU 85 HG LEU 85 1.716 20.262 -2.239 657 HB2 LEU 85 HB2 LEU 85 0.673 17.668 -1.096 658 HB3 LEU 85 HB3 LEU 85 1.986 17.817 -2.246 659 HD11 LEU 85 HD11 LEU 85 -0.358 19.741 -0.113 660 HD12 LEU 85 HD12 LEU 85 -0.664 20.373 -1.731 661 HD13 LEU 85 HD13 LEU 85 0.271 21.323 -0.578 662 HD21 LEU 85 HD21 LEU 85 2.568 20.652 0.023 663 HD22 LEU 85 HD22 LEU 85 3.300 19.224 -0.709 664 HD23 LEU 85 HD23 LEU 85 2.030 19.040 0.499 665 H GLU 86 H GLU 86 2.193 17.829 -4.402 666 HA GLU 86 HA GLU 86 2.080 20.441 -5.642 667 HB2 GLU 86 HB2 GLU 86 4.351 19.753 -6.576 668 HB3 GLU 86 HB3 GLU 86 4.223 19.970 -4.841 669 HG2 GLU 86 HG2 GLU 86 4.028 17.274 -6.154 670 HG3 GLU 86 HG3 GLU 86 5.560 17.985 -5.652 671 H ASP 87 H ASP 87 2.307 17.074 -6.804 672 HA ASP 87 HA ASP 87 1.416 18.091 -9.426 673 HB2 ASP 87 HB2 ASP 87 3.769 17.072 -9.238 674 HB3 ASP 87 HB3 ASP 87 2.964 15.529 -9.002 675 H GLY 88 H GLY 88 1.031 15.320 -10.370 676 HA2 GLY 88 HA2 GLY 88 -0.837 13.977 -8.701 677 HA3 GLY 88 HA3 GLY 88 -1.672 14.962 -9.899 678 H ALA 89 H ALA 89 1.289 13.024 -9.988 679 HA ALA 89 HA ALA 89 0.956 12.312 -12.696 680 HB1 ALA 89 HB1 ALA 89 2.881 10.871 -12.366 681 HB2 ALA 89 HB2 ALA 89 2.713 11.017 -10.616 682 HB3 ALA 89 HB3 ALA 89 3.134 12.432 -11.582 683 H TYR 90 H TYR 90 -0.195 10.856 -9.778 684 HA TYR 90 HA TYR 90 -1.218 8.615 -11.376 685 HD1 TYR 90 HD1 TYR 90 -0.046 6.299 -11.614 686 HD2 TYR 90 HD2 TYR 90 2.238 8.596 -8.855 687 HE1 TYR 90 HE1 TYR 90 2.024 5.469 -12.646 688 HE2 TYR 90 HE2 TYR 90 4.313 7.780 -9.887 689 HH TYR 90 HH TYR 90 4.404 6.254 -12.868 690 HB2 TYR 90 HB2 TYR 90 -0.065 8.472 -8.589 691 HB3 TYR 90 HB3 TYR 90 -0.967 7.165 -9.346 692 H SER 91 H SER 91 -1.591 10.220 -8.217 693 HA SER 91 HA SER 91 -3.381 10.530 -6.871 694 HG SER 91 HG SER 91 -3.785 12.763 -7.852 695 HB2 SER 91 HB2 SER 91 -4.854 10.718 -9.512 696 HB3 SER 91 HB3 SER 91 -5.477 11.259 -7.951 697 H VAL 92 H VAL 92 -3.280 8.512 -5.942 698 HA VAL 92 HA VAL 92 -4.174 6.164 -7.262 699 HB VAL 92 HB VAL 92 -3.611 4.996 -5.206 700 HG11 VAL 92 HG11 VAL 92 -1.242 5.697 -5.034 701 HG12 VAL 92 HG12 VAL 92 -1.630 7.149 -5.955 702 HG13 VAL 92 HG13 VAL 92 -1.796 5.561 -6.703 703 HG21 VAL 92 HG21 VAL 92 -4.498 6.585 -3.580 704 HG22 VAL 92 HG22 VAL 92 -3.234 7.741 -4.001 705 HG23 VAL 92 HG23 VAL 92 -2.809 6.213 -3.230 706 H ALA 93 H ALA 93 -5.664 4.596 -6.186 707 HA ALA 93 HA ALA 93 -8.165 5.980 -5.565 708 HB1 ALA 93 HB1 ALA 93 -7.713 3.113 -6.389 709 HB2 ALA 93 HB2 ALA 93 -8.182 4.430 -7.464 710 HB3 ALA 93 HB3 ALA 93 -9.276 3.907 -6.184 711 H ALA 94 H ALA 94 -9.430 5.421 -3.807 712 HA ALA 94 HA ALA 94 -8.098 3.828 -1.725 713 HB1 ALA 94 HB1 ALA 94 -9.656 6.381 -1.332 714 HB2 ALA 94 HB2 ALA 94 -7.903 6.208 -1.218 715 HB3 ALA 94 HB3 ALA 94 -8.948 5.390 -0.056 716 H TYR 95 H TYR 95 -9.259 2.043 -1.614 717 HA TYR 95 HA TYR 95 -12.135 2.048 -1.932 718 HD1 TYR 95 HD2 TYR 95 -12.726 0.000 -3.906 719 HD2 TYR 95 HD1 TYR 95 -8.594 0.034 -2.889 720 HE1 TYR 95 HE2 TYR 95 -12.147 -0.252 -6.281 721 HE2 TYR 95 HE1 TYR 95 -8.002 -0.219 -5.263 722 HH TYR 95 HH TYR 95 -8.998 -1.033 -7.345 723 HB2 TYR 95 HB2 TYR 95 -10.249 -0.203 -1.185 724 HB3 TYR 95 HB3 TYR 95 -11.953 -0.387 -1.582 725 H ASP 96 H ASP 96 -13.626 1.618 -0.290 726 HA ASP 96 HA ASP 96 -12.867 2.630 2.267 727 HB2 ASP 96 HB2 ASP 96 -15.143 2.909 1.239 728 HB3 ASP 96 HB3 ASP 96 -15.438 1.204 1.575 729 H THR 97 H THR 97 -12.486 1.595 4.158 730 HA THR 97 HA THR 97 -12.344 -1.356 4.076 731 HB THR 97 HB THR 97 -10.230 -1.219 5.338 732 HG1 THR 97 HG1 THR 97 -10.902 1.157 5.936 733 HG21 THR 97 HG21 THR 97 -10.155 0.403 2.790 734 HG22 THR 97 HG22 THR 97 -10.137 -1.357 2.890 735 HG23 THR 97 HG23 THR 97 -8.786 -0.424 3.533 736 H GLN 98 H GLN 98 -12.896 -2.401 5.987 737 HA GLN 98 HA GLN 98 -13.176 -0.766 8.394 738 HB2 GLN 98 HB2 GLN 98 -15.320 -1.914 8.962 739 HB3 GLN 98 HB3 GLN 98 -15.426 -0.798 7.612 740 HG2 GLN 98 HG2 GLN 98 -15.474 -2.597 6.043 741 HG3 GLN 98 HG3 GLN 98 -15.132 -3.774 7.312 742 HE21 GLN 98 HE21 GLN 98 -17.532 -1.638 5.952 743 HE22 GLN 98 HE22 GLN 98 -18.893 -2.342 6.753 744 H VAL 99 H VAL 99 -12.717 -1.772 10.265 745 HA VAL 99 HA VAL 99 -11.797 -4.569 10.067 746 HB VAL 99 HB VAL 99 -10.980 -2.519 12.136 747 HG11 VAL 99 HG11 VAL 99 -9.865 -5.244 11.474 748 HG12 VAL 99 HG12 VAL 99 -10.802 -4.816 12.906 749 HG13 VAL 99 HG13 VAL 99 -9.200 -4.122 12.662 750 HG21 VAL 99 HG21 VAL 99 -8.837 -2.385 10.953 751 HG22 VAL 99 HG22 VAL 99 -10.172 -1.825 9.947 752 HG23 VAL 99 HG23 VAL 99 -9.476 -3.424 9.679 753 H THR 100 H THR 100 -13.561 -5.723 10.654 754 HA THR 100 HA THR 100 -14.861 -4.974 13.195 755 HB THR 100 HB THR 100 -16.284 -4.299 11.316 756 HG1 THR 100 HG1 THR 100 -17.131 -5.389 13.345 757 HG21 THR 100 HG21 THR 100 -17.277 -5.987 9.832 758 HG22 THR 100 HG22 THR 100 -16.234 -7.218 10.546 759 HG23 THR 100 HG23 THR 100 -15.527 -5.882 9.636 760 H ASN 101 H ASN 101 -13.070 -7.268 11.705 761 HA ASN 101 HA ASN 101 -14.223 -9.413 13.346 762 HB2 ASN 101 HB2 ASN 101 -14.910 -9.505 10.861 763 HB3 ASN 101 HB3 ASN 101 -13.231 -9.913 10.540 764 HD21 ASN 101 HD21 ASN 101 -16.220 -10.965 11.943 765 HD22 ASN 101 HD22 ASN 101 -15.789 -12.632 12.108 766 H GLY 102 H GLY 102 -11.874 -7.617 13.578 767 HA2 GLY 102 HA2 GLY 102 -9.704 -7.854 14.357 768 HA3 GLY 102 HA3 GLY 102 -9.853 -9.592 14.134 769 H ASN 103 H ASN 103 -10.747 -9.118 11.349 770 HA ASN 103 HA ASN 103 -8.129 -8.673 10.116 771 HB2 ASN 103 HB2 ASN 103 -10.631 -10.014 9.058 772 HB3 ASN 103 HB3 ASN 103 -9.137 -9.819 8.152 773 HD21 ASN 103 HD21 ASN 103 -10.740 -11.529 10.711 774 HD22 ASN 103 HD22 ASN 103 -9.539 -12.761 10.909 775 H VAL 104 H VAL 104 -8.014 -7.359 8.216 776 HA VAL 104 HA VAL 104 -9.932 -5.163 8.263 777 HB VAL 104 HB VAL 104 -7.412 -5.445 6.609 778 HG11 VAL 104 HG11 VAL 104 -7.580 -3.014 6.351 779 HG12 VAL 104 HG12 VAL 104 -9.106 -3.031 7.235 780 HG13 VAL 104 HG13 VAL 104 -8.982 -3.844 5.674 781 HG21 VAL 104 HG21 VAL 104 -6.392 -3.928 8.265 782 HG22 VAL 104 HG22 VAL 104 -6.843 -5.487 8.956 783 HG23 VAL 104 HG23 VAL 104 -7.845 -4.067 9.255 784 H GLN 105 H GLN 105 -11.606 -5.113 6.932 785 HA GLN 105 HA GLN 105 -11.480 -6.732 4.473 786 HB2 GLN 105 HB2 GLN 105 -13.934 -5.985 6.087 787 HB3 GLN 105 HB3 GLN 105 -13.900 -7.016 4.661 788 HG2 GLN 105 HG2 GLN 105 -12.570 -8.656 5.846 789 HG3 GLN 105 HG3 GLN 105 -12.518 -7.618 7.265 790 HE21 GLN 105 HE21 GLN 105 -15.356 -8.078 5.255 791 HE22 GLN 105 HE22 GLN 105 -16.282 -8.934 6.442 792 H ILE 106 H ILE 106 -11.692 -5.694 2.597 793 HA ILE 106 HA ILE 106 -12.368 -2.837 2.692 794 HB ILE 106 HB ILE 106 -10.937 -2.403 0.901 795 HG12 ILE 106 HG12 ILE 106 -11.700 -4.321 -0.532 796 HG13 ILE 106 HG13 ILE 106 -9.972 -4.003 -0.613 797 HG21 ILE 106 HG21 ILE 106 -8.767 -3.350 1.534 798 HG22 ILE 106 HG22 ILE 106 -9.591 -4.565 2.510 799 HG23 ILE 106 HG23 ILE 106 -9.711 -2.859 2.941 800 HD11 ILE 106 HD11 ILE 106 -9.543 -5.887 0.852 801 HD12 ILE 106 HD12 ILE 106 -10.480 -6.390 -0.555 802 HD13 ILE 106 HD13 ILE 106 -11.274 -6.180 1.006 803 H SER 107 H SER 107 -13.629 -1.928 1.028 804 HA SER 107 HA SER 107 -15.610 -3.715 -0.091 805 HG SER 107 HG SER 107 -17.546 -0.852 -0.912 806 HB2 SER 107 HB2 SER 107 -16.221 -1.479 0.851 807 HB3 SER 107 HB3 SER 107 -15.300 -0.718 -0.442 808 H ILE 108 H ILE 108 -15.074 -4.827 -1.847 809 HA ILE 108 HA ILE 108 -12.967 -3.870 -3.566 810 HB ILE 108 HB ILE 108 -13.545 -6.089 -4.826 811 HG12 ILE 108 HG12 ILE 108 -14.293 -7.756 -2.931 812 HG13 ILE 108 HG13 ILE 108 -15.074 -6.332 -2.257 813 HG21 ILE 108 HG21 ILE 108 -12.293 -6.059 -2.085 814 HG22 ILE 108 HG22 ILE 108 -11.493 -5.642 -3.601 815 HG23 ILE 108 HG23 ILE 108 -12.048 -7.293 -3.320 816 HD11 ILE 108 HD11 ILE 108 -16.359 -6.065 -4.312 817 HD12 ILE 108 HD12 ILE 108 -16.621 -7.646 -3.578 818 HD13 ILE 108 HD13 ILE 108 -15.574 -7.493 -4.989 819 H ALA 109 H ALA 109 -13.227 -2.654 -5.248 820 HA ALA 109 HA ALA 109 -15.728 -2.817 -6.792 821 HB1 ALA 109 HB1 ALA 109 -15.157 -0.600 -7.670 822 HB2 ALA 109 HB2 ALA 109 -13.675 -0.601 -6.714 823 HB3 ALA 109 HB3 ALA 109 -15.243 -0.581 -5.909 824 H ASP 110 H ASP 110 -13.409 -4.584 -6.792 825 HA ASP 110 HA ASP 110 -11.855 -4.108 -9.139 826 HB2 ASP 110 HB2 ASP 110 -10.828 -5.348 -7.376 827 HB3 ASP 110 HB3 ASP 110 -12.166 -6.489 -7.309 828 H SER 111 H SER 111 -12.008 -5.028 -11.121 829 HA SER 111 HA SER 111 -14.385 -6.677 -11.646 830 HG SER 111 HG SER 111 -14.949 -4.359 -11.435 831 HB2 SER 111 HB2 SER 111 -13.238 -4.553 -13.481 832 HB3 SER 111 HB3 SER 111 -14.647 -5.561 -13.809 833 H ASP 112 H ASP 112 -11.682 -5.608 -13.697 834 HA ASP 112 HA ASP 112 -10.511 -8.266 -13.674 835 HB2 ASP 112 HB2 ASP 112 -11.849 -7.092 -16.097 836 HB3 ASP 112 HB3 ASP 112 -10.456 -8.153 -16.283 837 H VAL 113 H VAL 113 -8.462 -7.822 -13.268 838 HA VAL 113 HA VAL 113 -7.093 -5.924 -15.021 839 HB VAL 113 HB VAL 113 -7.443 -4.619 -13.038 840 HG11 VAL 113 HG11 VAL 113 -7.928 -6.433 -11.477 841 HG12 VAL 113 HG12 VAL 113 -6.728 -5.317 -10.823 842 HG13 VAL 113 HG13 VAL 113 -6.222 -6.879 -11.468 843 HG21 VAL 113 HG21 VAL 113 -4.623 -5.683 -13.069 844 HG22 VAL 113 HG22 VAL 113 -5.142 -4.180 -12.305 845 HG23 VAL 113 HG23 VAL 113 -5.255 -4.364 -14.055 846 H ALA 114 H ALA 114 -5.166 -6.632 -15.735 847 HA ALA 114 HA ALA 114 -4.371 -9.311 -14.848 848 HB1 ALA 114 HB1 ALA 114 -3.619 -7.827 -17.362 849 HB2 ALA 114 HB2 ALA 114 -4.866 -9.068 -17.230 850 HB3 ALA 114 HB3 ALA 114 -3.173 -9.484 -16.964 851 H VAL 115 H VAL 115 -3.109 -8.954 -13.107 852 HA VAL 115 HA VAL 115 -1.117 -6.890 -13.047 853 HB VAL 115 HB VAL 115 -0.491 -7.841 -10.857 854 HG11 VAL 115 HG11 VAL 115 -2.261 -6.195 -10.962 855 HG12 VAL 115 HG12 VAL 115 -2.619 -7.389 -9.714 856 HG13 VAL 115 HG13 VAL 115 -3.451 -7.462 -11.267 857 HG21 VAL 115 HG21 VAL 115 -0.880 -10.196 -11.307 858 HG22 VAL 115 HG22 VAL 115 -2.611 -9.899 -11.463 859 HG23 VAL 115 HG23 VAL 115 -1.815 -9.678 -9.905 860 H ASP 116 H ASP 116 1.145 -7.481 -12.373 861 HA ASP 116 HA ASP 116 2.243 -9.335 -14.312 862 HB2 ASP 116 HB2 ASP 116 3.124 -6.966 -13.648 863 HB3 ASP 116 HB3 ASP 116 3.846 -7.801 -12.279 864 H ASN 117 H ASN 117 4.493 -10.346 -13.004 865 HA ASN 117 HA ASN 117 3.214 -12.358 -11.374 866 HB2 ASN 117 HB2 ASN 117 5.400 -13.486 -11.341 867 HB3 ASN 117 HB3 ASN 117 4.905 -13.081 -12.978 868 HD21 ASN 117 HD21 ASN 117 7.237 -12.621 -10.502 869 HD22 ASN 117 HD22 ASN 117 8.323 -11.613 -11.406 870 H SER 118 H SER 118 2.851 -12.117 -9.318 871 HA SER 118 HA SER 118 4.035 -10.059 -7.752 872 HG SER 118 HG SER 118 3.500 -10.973 -5.191 873 HB2 SER 118 HB2 SER 118 1.735 -11.075 -7.420 874 HB3 SER 118 HB3 SER 118 2.537 -12.484 -6.733 875 H GLN 119 H GLN 119 4.459 -13.546 -7.950 876 HA GLN 119 HA GLN 119 6.718 -13.460 -6.138 877 HB2 GLN 119 HB2 GLN 119 6.781 -15.886 -6.377 878 HB3 GLN 119 HB3 GLN 119 5.154 -15.354 -5.997 879 HG2 GLN 119 HG2 GLN 119 6.120 -16.090 -8.753 880 HG3 GLN 119 HG3 GLN 119 5.254 -17.174 -7.668 881 HE21 GLN 119 HE21 GLN 119 4.517 -16.254 -10.318 882 HE22 GLN 119 HE22 GLN 119 2.986 -15.463 -10.149 883 HA PRO 120 HA PRO 120 9.520 -12.819 -9.521 884 HB2 PRO 120 HB2 PRO 120 11.684 -13.299 -7.639 885 HB3 PRO 120 HB3 PRO 120 11.190 -11.784 -8.395 886 HG2 PRO 120 HG2 PRO 120 10.881 -12.282 -5.743 887 HG3 PRO 120 HG3 PRO 120 9.798 -11.219 -6.660 888 HD2 PRO 120 HD2 PRO 120 9.402 -14.076 -5.836 889 HD3 PRO 120 HD3 PRO 120 8.246 -12.724 -5.806 890 H LEU 121 H LEU 121 11.648 -13.879 -10.271 891 HA LEU 121 HA LEU 121 11.134 -16.746 -10.434 892 HG LEU 121 HG LEU 121 10.499 -16.516 -12.826 893 HB2 LEU 121 HB2 LEU 121 12.905 -14.883 -12.015 894 HB3 LEU 121 HB3 LEU 121 12.955 -16.622 -12.214 895 HD11 LEU 121 HD11 LEU 121 9.626 -14.377 -13.606 896 HD12 LEU 121 HD12 LEU 121 11.081 -13.564 -13.026 897 HD13 LEU 121 HD13 LEU 121 9.982 -14.331 -11.880 898 HD21 LEU 121 HD21 LEU 121 12.267 -16.798 -14.480 899 HD22 LEU 121 HD22 LEU 121 12.448 -15.046 -14.593 900 HD23 LEU 121 HD23 LEU 121 10.948 -15.814 -15.113 901 HA PRO 122 HA PRO 122 14.320 -17.711 -7.529 902 HB2 PRO 122 HB2 PRO 122 14.892 -20.249 -8.409 903 HB3 PRO 122 HB3 PRO 122 13.513 -19.841 -7.384 904 HG2 PRO 122 HG2 PRO 122 13.615 -20.271 -10.336 905 HG3 PRO 122 HG3 PRO 122 12.389 -20.795 -9.168 906 HD2 PRO 122 HD2 PRO 122 12.015 -18.655 -10.767 907 HD3 PRO 122 HD3 PRO 122 11.374 -18.716 -9.113 908 H LEU 123 H LEU 123 16.258 -16.820 -7.670 909 HA LEU 123 HA LEU 123 17.762 -16.968 -10.151 910 HG LEU 123 HG LEU 123 17.388 -15.669 -6.723 911 HB2 LEU 123 HB2 LEU 123 19.325 -15.402 -8.999 912 HB3 LEU 123 HB3 LEU 123 17.686 -14.808 -9.161 913 HD11 LEU 123 HD11 LEU 123 19.477 -16.876 -6.531 914 HD12 LEU 123 HD12 LEU 123 19.436 -15.536 -5.385 915 HD13 LEU 123 HD13 LEU 123 20.384 -15.402 -6.866 916 HD21 LEU 123 HD21 LEU 123 17.298 -13.335 -7.390 917 HD22 LEU 123 HD22 LEU 123 19.059 -13.246 -7.359 918 HD23 LEU 123 HD23 LEU 123 18.164 -13.520 -5.864 919 H GLU 124 H GLU 124 20.168 -17.369 -9.977 920 HA GLU 124 HA GLU 124 20.631 -19.631 -8.146 921 HB2 GLU 124 HB2 GLU 124 20.392 -20.355 -10.491 922 HB3 GLU 124 HB3 GLU 124 21.707 -19.281 -10.951 923 HG2 GLU 124 HG2 GLU 124 23.229 -20.549 -9.501 924 HG3 GLU 124 HG3 GLU 124 21.911 -21.648 -9.101 925 H HIS 125 H HIS 125 22.427 -19.591 -6.945 926 HA HIS 125 HA HIS 125 24.628 -17.824 -7.707 927 HD1 HIS 125 HD1 HIS 125 25.720 -17.827 -3.616 928 HD2 HIS 125 HD2 HIS 125 25.452 -15.016 -6.670 929 HE1 HIS 125 HE1 HIS 125 27.690 -16.298 -3.307 930 HE2 HIS 125 HE2 HIS 125 27.447 -14.537 -5.091 931 HB2 HIS 125 HB2 HIS 125 23.183 -16.649 -6.011 932 HB3 HIS 125 HB3 HIS 125 23.538 -17.953 -4.884 933 H HIS 126 H HIS 126 26.235 -19.194 -8.005 934 HA HIS 126 HA HIS 126 26.303 -21.835 -7.090 935 HD1 HIS 126 HD1 HIS 126 28.343 -19.537 -10.411 936 HD2 HIS 126 HD2 HIS 126 26.378 -23.074 -9.451 937 HE1 HIS 126 HE1 HIS 126 27.302 -20.338 -12.556 938 HE2 HIS 126 HE2 HIS 126 25.945 -22.356 -11.900 939 HB2 HIS 126 HB2 HIS 126 28.583 -20.092 -8.037 940 HB3 HIS 126 HB3 HIS 126 28.692 -21.833 -7.804 941 H HIS 127 H HIS 127 26.692 -22.675 -5.200 942 HA HIS 127 HA HIS 127 27.553 -21.267 -2.938 943 HD1 HIS 127 HD1 HIS 127 29.130 -25.384 -1.918 944 HD2 HIS 127 HD2 HIS 127 27.014 -24.846 -5.458 945 HE1 HIS 127 HE1 HIS 127 29.724 -27.353 -3.372 946 HE2 HIS 127 HE2 HIS 127 28.386 -27.041 -5.487 947 HB2 HIS 127 HB2 HIS 127 27.682 -23.400 -1.821 948 HB3 HIS 127 HB3 HIS 127 26.293 -23.436 -2.900 949 H HIS 128 H HIS 128 29.502 -20.645 -2.263 950 HA HIS 128 HA HIS 128 31.811 -21.578 -3.794 951 HD1 HIS 128 HD1 HIS 128 29.843 -18.630 -4.372 952 HD2 HIS 128 HD2 HIS 128 33.941 -19.026 -4.901 953 HE1 HIS 128 HE1 HIS 128 30.323 -17.673 -6.642 954 HE2 HIS 128 HE2 HIS 128 32.762 -18.173 -7.034 955 HB2 HIS 128 HB2 HIS 128 31.278 -19.131 -2.158 956 HB3 HIS 128 HB3 HIS 128 32.942 -19.639 -2.443 957 H HIS 129 H HIS 129 32.788 -23.259 -3.053 958 HA HIS 129 HA HIS 129 33.685 -23.347 -0.290 959 HD1 HIS 129 HD1 HIS 129 33.590 -27.555 -1.247 960 HD2 HIS 129 HD2 HIS 129 32.972 -25.318 2.208 961 HE1 HIS 129 HE1 HIS 129 34.528 -28.935 0.635 962 HE2 HIS 129 HE2 HIS 129 34.050 -27.616 2.723 963 HB2 HIS 129 HB2 HIS 129 31.602 -24.605 -0.180 964 HB3 HIS 129 HB3 HIS 129 32.051 -25.546 -1.598 965 H HIS 130 H HIS 130 35.660 -24.396 -0.097 966 HA HIS 130 HA HIS 130 36.948 -25.069 -2.627 967 HD1 HIS 130 HD1 HIS 130 39.910 -26.728 -0.086 968 HD2 HIS 130 HD2 HIS 130 39.854 -24.005 -3.232 969 HE1 HIS 130 HE1 HIS 130 42.006 -27.165 -1.404 970 HE2 HIS 130 HE2 HIS 130 41.967 -25.498 -3.295 971 HB2 HIS 130 HB2 HIS 130 38.124 -23.623 -0.987 972 HB3 HIS 130 HB3 HIS 130 38.120 -24.954 0.164 Start of MODEL 6 1 HA MET 1 HA MET 1 -21.064 -8.285 4.876 2 H1 MET 1 H1 MET 1 -23.850 -9.215 4.532 3 H2 MET 1 H2 MET 1 -23.339 -7.614 4.753 4 H3 MET 1 H3 MET 1 -23.148 -8.744 6.004 5 HB2 MET 1 HB2 MET 1 -21.481 -10.491 5.912 6 HB3 MET 1 HB3 MET 1 -22.117 -11.077 4.382 7 HG2 MET 1 HG2 MET 1 -19.920 -10.673 3.345 8 HG3 MET 1 HG3 MET 1 -19.297 -10.169 4.914 9 HE1 MET 1 HE1 MET 1 -21.834 -13.055 4.063 10 HE2 MET 1 HE2 MET 1 -20.755 -14.445 3.958 11 HE3 MET 1 HE3 MET 1 -20.651 -13.162 2.757 12 H SER 2 H SER 2 -21.275 -6.887 3.109 13 HA SER 2 HA SER 2 -21.969 -7.975 0.515 14 HG SER 2 HG SER 2 -23.278 -5.061 0.301 15 HB2 SER 2 HB2 SER 2 -20.936 -5.269 1.393 16 HB3 SER 2 HB3 SER 2 -21.352 -5.675 -0.275 17 H GLN 3 H GLN 3 -19.998 -6.535 -1.016 18 HA GLN 3 HA GLN 3 -17.916 -8.475 -1.021 19 HB2 GLN 3 HB2 GLN 3 -18.237 -5.875 -2.515 20 HB3 GLN 3 HB3 GLN 3 -16.887 -6.972 -2.764 21 HG2 GLN 3 HG2 GLN 3 -19.778 -7.713 -3.141 22 HG3 GLN 3 HG3 GLN 3 -18.695 -7.204 -4.435 23 HE21 GLN 3 HE21 GLN 3 -18.899 -9.131 -5.529 24 HE22 GLN 3 HE22 GLN 3 -18.173 -10.601 -4.979 25 H TRP 4 H TRP 4 -17.264 -8.203 1.204 26 HA TRP 4 HA TRP 4 -15.251 -6.075 1.503 27 HD1 TRP 4 HD1 TRP 4 -19.143 -6.589 3.152 28 HE1 TRP 4 HE1 TRP 4 -20.103 -4.203 3.332 29 HE3 TRP 4 HE3 TRP 4 -14.766 -3.995 3.627 30 HZ2 TRP 4 HZ2 TRP 4 -19.125 -1.581 3.630 31 HZ3 TRP 4 HZ3 TRP 4 -14.865 -1.549 3.857 32 HH2 TRP 4 HH2 TRP 4 -17.002 -0.369 3.859 33 HB2 TRP 4 HB2 TRP 4 -16.762 -7.613 3.630 34 HB3 TRP 4 HB3 TRP 4 -15.441 -6.499 3.960 35 H THR 5 H THR 5 -13.492 -7.075 0.645 36 HA THR 5 HA THR 5 -12.943 -9.850 1.133 37 HB THR 5 HB THR 5 -11.150 -7.741 -0.093 38 HG1 THR 5 HG1 THR 5 -13.259 -9.308 -1.089 39 HG21 THR 5 HG21 THR 5 -11.077 -10.757 -0.264 40 HG22 THR 5 HG22 THR 5 -9.936 -9.744 0.621 41 HG23 THR 5 HG23 THR 5 -10.020 -9.650 -1.138 42 H THR 6 H THR 6 -12.097 -10.603 2.946 43 HA THR 6 HA THR 6 -10.822 -8.994 4.900 44 HB THR 6 HB THR 6 -10.652 -12.001 4.621 45 HG1 THR 6 HG1 THR 6 -12.673 -10.351 5.792 46 HG21 THR 6 HG21 THR 6 -10.417 -11.943 7.065 47 HG22 THR 6 HG22 THR 6 -10.471 -10.180 7.027 48 HG23 THR 6 HG23 THR 6 -9.129 -11.036 6.270 49 H VAL 7 H VAL 7 -8.868 -8.129 4.678 50 HA VAL 7 HA VAL 7 -6.992 -9.269 2.756 51 HB VAL 7 HB VAL 7 -6.822 -6.691 4.327 52 HG11 VAL 7 HG11 VAL 7 -4.634 -7.554 3.628 53 HG12 VAL 7 HG12 VAL 7 -5.060 -6.071 2.775 54 HG13 VAL 7 HG13 VAL 7 -5.205 -7.629 1.962 55 HG21 VAL 7 HG21 VAL 7 -7.639 -7.177 1.468 56 HG22 VAL 7 HG22 VAL 7 -7.446 -5.599 2.232 57 HG23 VAL 7 HG23 VAL 7 -8.709 -6.699 2.787 58 H CYS 8 H CYS 8 -6.719 -7.935 6.048 59 HA CYS 8 HA CYS 8 -4.628 -9.915 6.595 60 HG CYS 8 HG CYS 8 -1.846 -8.958 7.791 61 HB2 CYS 8 HB2 CYS 8 -3.450 -7.941 5.905 62 HB3 CYS 8 HB3 CYS 8 -4.438 -6.922 6.941 63 H LYS 9 H LYS 9 -4.024 -9.913 8.955 64 HA LYS 9 HA LYS 9 -6.444 -9.997 10.536 65 HB2 LYS 9 HB2 LYS 9 -4.381 -11.670 10.487 66 HB3 LYS 9 HB3 LYS 9 -3.723 -10.534 11.641 67 HG2 LYS 9 HG2 LYS 9 -4.750 -12.355 12.815 68 HG3 LYS 9 HG3 LYS 9 -5.671 -10.876 13.091 69 HD2 LYS 9 HD2 LYS 9 -7.322 -11.565 11.452 70 HD3 LYS 9 HD3 LYS 9 -6.379 -13.010 11.077 71 HE2 LYS 9 HE2 LYS 9 -7.644 -12.352 13.735 72 HE3 LYS 9 HE3 LYS 9 -8.243 -13.527 12.566 73 HZ1 LYS 9 HZ1 LYS 9 -5.715 -13.664 14.111 74 HZ2 LYS 9 HZ2 LYS 9 -6.084 -14.711 12.834 75 HZ3 LYS 9 HZ3 LYS 9 -7.050 -14.698 14.228 76 H LEU 10 H LEU 10 -4.557 -7.642 9.683 77 HA LEU 10 HA LEU 10 -4.100 -5.592 10.416 78 HG LEU 10 HG LEU 10 -4.245 -4.496 13.425 79 HB2 LEU 10 HB2 LEU 10 -6.279 -5.479 11.421 80 HB3 LEU 10 HB3 LEU 10 -5.730 -6.389 12.813 81 HD11 LEU 10 HD11 LEU 10 -5.662 -3.087 11.171 82 HD12 LEU 10 HD12 LEU 10 -3.955 -3.534 11.206 83 HD13 LEU 10 HD13 LEU 10 -4.578 -2.336 12.342 84 HD21 LEU 10 HD21 LEU 10 -7.163 -3.829 13.100 85 HD22 LEU 10 HD22 LEU 10 -6.037 -3.002 14.177 86 HD23 LEU 10 HD23 LEU 10 -6.431 -4.700 14.447 87 H ASP 11 H ASP 11 -3.658 -8.149 12.722 88 HA ASP 11 HA ASP 11 -1.687 -6.841 14.299 89 HB2 ASP 11 HB2 ASP 11 -3.145 -8.534 15.262 90 HB3 ASP 11 HB3 ASP 11 -2.524 -9.741 14.141 91 H ASP 12 H ASP 12 -1.616 -9.080 11.547 92 HA ASP 12 HA ASP 12 1.266 -9.286 11.773 93 HB2 ASP 12 HB2 ASP 12 1.177 -10.639 9.731 94 HB3 ASP 12 HB3 ASP 12 0.068 -11.231 10.957 95 H ILE 13 H ILE 13 -0.530 -6.768 10.959 96 HA ILE 13 HA ILE 13 1.177 -5.878 8.750 97 HB ILE 13 HB ILE 13 -1.003 -4.422 10.264 98 HG12 ILE 13 HG12 ILE 13 -1.793 -6.153 8.709 99 HG13 ILE 13 HG13 ILE 13 -2.229 -4.539 8.156 100 HG21 ILE 13 HG21 ILE 13 0.644 -3.449 7.930 101 HG22 ILE 13 HG22 ILE 13 0.720 -2.839 9.584 102 HG23 ILE 13 HG23 ILE 13 -0.746 -2.620 8.628 103 HD11 ILE 13 HD11 ILE 13 -1.488 -5.954 6.321 104 HD12 ILE 13 HD12 ILE 13 0.067 -6.191 7.121 105 HD13 ILE 13 HD13 ILE 13 -0.399 -4.588 6.554 106 H LEU 14 H LEU 14 2.989 -4.731 9.013 107 HA LEU 14 HA LEU 14 4.130 -4.451 11.593 108 HG LEU 14 HG LEU 14 4.941 -5.756 8.814 109 HB2 LEU 14 HB2 LEU 14 5.045 -3.308 8.954 110 HB3 LEU 14 HB3 LEU 14 6.010 -3.428 10.409 111 HD11 LEU 14 HD11 LEU 14 7.741 -4.686 9.124 112 HD12 LEU 14 HD12 LEU 14 6.743 -4.575 7.675 113 HD13 LEU 14 HD13 LEU 14 7.286 -6.150 8.255 114 HD21 LEU 14 HD21 LEU 14 5.077 -6.256 11.204 115 HD22 LEU 14 HD22 LEU 14 6.752 -5.707 11.225 116 HD23 LEU 14 HD23 LEU 14 6.305 -7.135 10.294 117 HA PRO 15 HA PRO 15 2.412 -0.448 12.606 118 HB2 PRO 15 HB2 PRO 15 4.034 0.001 14.762 119 HB3 PRO 15 HB3 PRO 15 2.581 -1.002 14.813 120 HG2 PRO 15 HG2 PRO 15 5.448 -1.824 14.570 121 HG3 PRO 15 HG3 PRO 15 4.145 -2.561 15.523 122 HD2 PRO 15 HD2 PRO 15 4.974 -3.587 13.169 123 HD3 PRO 15 HD3 PRO 15 3.285 -3.688 13.705 124 H GLY 16 H GLY 16 2.885 1.418 11.678 125 HA2 GLY 16 HA2 GLY 16 4.122 3.284 11.077 126 HA3 GLY 16 HA3 GLY 16 5.567 2.515 11.725 127 H THR 17 H THR 17 3.370 1.035 9.380 128 HA THR 17 HA THR 17 5.323 1.397 7.245 129 HB THR 17 HB THR 17 4.631 -1.452 7.824 130 HG1 THR 17 HG1 THR 17 5.511 -0.425 9.804 131 HG21 THR 17 HG21 THR 17 6.861 -1.827 6.836 132 HG22 THR 17 HG22 THR 17 7.081 -0.082 6.698 133 HG23 THR 17 HG23 THR 17 5.821 -0.890 5.765 134 H GLY 18 H GLY 18 4.577 0.063 5.270 135 HA2 GLY 18 HA2 GLY 18 1.712 -0.480 5.197 136 HA3 GLY 18 HA3 GLY 18 2.317 0.768 4.110 137 H VAL 19 H VAL 19 1.175 -2.007 3.593 138 HA VAL 19 HA VAL 19 3.412 -2.921 1.943 139 HB VAL 19 HB VAL 19 2.821 -5.295 2.414 140 HG11 VAL 19 HG11 VAL 19 3.703 -3.684 4.806 141 HG12 VAL 19 HG12 VAL 19 4.738 -4.265 3.500 142 HG13 VAL 19 HG13 VAL 19 3.951 -5.417 4.578 143 HG21 VAL 19 HG21 VAL 19 0.544 -4.922 3.224 144 HG22 VAL 19 HG22 VAL 19 1.185 -4.119 4.659 145 HG23 VAL 19 HG23 VAL 19 1.503 -5.833 4.391 146 H CYS 20 H CYS 20 2.949 -3.855 -0.009 147 HA CYS 20 HA CYS 20 0.370 -3.375 -1.119 148 HG CYS 20 HG CYS 20 3.939 -5.433 -3.320 149 HB2 CYS 20 HB2 CYS 20 1.427 -4.641 -3.092 150 HB3 CYS 20 HB3 CYS 20 2.175 -3.121 -2.609 151 H ALA 21 H ALA 21 -1.310 -4.600 -0.638 152 HA ALA 21 HA ALA 21 -0.980 -7.420 -0.016 153 HB1 ALA 21 HB1 ALA 21 -3.457 -5.696 -0.055 154 HB2 ALA 21 HB2 ALA 21 -2.478 -6.065 1.365 155 HB3 ALA 21 HB3 ALA 21 -3.359 -7.353 0.543 156 H LEU 22 H LEU 22 -0.769 -8.719 -1.704 157 HA LEU 22 HA LEU 22 -1.873 -8.149 -4.272 158 HG LEU 22 HG LEU 22 0.173 -10.878 -5.644 159 HB2 LEU 22 HB2 LEU 22 0.232 -9.504 -3.758 160 HB3 LEU 22 HB3 LEU 22 -0.837 -10.813 -3.309 161 HD11 LEU 22 HD11 LEU 22 -1.702 -12.293 -4.974 162 HD12 LEU 22 HD12 LEU 22 -1.838 -11.783 -6.656 163 HD13 LEU 22 HD13 LEU 22 -2.829 -11.012 -5.419 164 HD21 LEU 22 HD21 LEU 22 -0.145 -8.543 -6.216 165 HD22 LEU 22 HD22 LEU 22 -1.894 -8.736 -6.108 166 HD23 LEU 22 HD23 LEU 22 -0.988 -9.584 -7.363 167 H VAL 23 H VAL 23 -4.007 -8.079 -4.394 168 HA VAL 23 HA VAL 23 -5.620 -10.140 -3.097 169 HB VAL 23 HB VAL 23 -6.600 -7.761 -4.689 170 HG11 VAL 23 HG11 VAL 23 -7.957 -9.429 -2.578 171 HG12 VAL 23 HG12 VAL 23 -8.241 -9.536 -4.315 172 HG13 VAL 23 HG13 VAL 23 -8.665 -8.064 -3.441 173 HG21 VAL 23 HG21 VAL 23 -6.900 -6.593 -2.548 174 HG22 VAL 23 HG22 VAL 23 -5.202 -6.937 -2.879 175 HG23 VAL 23 HG23 VAL 23 -6.093 -7.924 -1.720 176 H GLU 24 H GLU 24 -7.364 -11.125 -4.449 177 HA GLU 24 HA GLU 24 -6.344 -12.726 -6.397 178 HB2 GLU 24 HB2 GLU 24 -9.201 -11.797 -6.098 179 HB3 GLU 24 HB3 GLU 24 -8.687 -13.208 -7.018 180 HG2 GLU 24 HG2 GLU 24 -8.007 -14.357 -5.090 181 HG3 GLU 24 HG3 GLU 24 -8.047 -12.896 -4.104 182 H GLN 25 H GLN 25 -8.365 -9.837 -7.066 183 HA GLN 25 HA GLN 25 -6.893 -9.586 -9.608 184 HB2 GLN 25 HB2 GLN 25 -9.860 -9.312 -9.161 185 HB3 GLN 25 HB3 GLN 25 -9.057 -8.576 -10.539 186 HG2 GLN 25 HG2 GLN 25 -9.834 -10.551 -11.415 187 HG3 GLN 25 HG3 GLN 25 -8.170 -10.954 -11.001 188 HE21 GLN 25 HE21 GLN 25 -10.748 -10.635 -8.654 189 HE22 GLN 25 HE22 GLN 25 -10.829 -12.312 -8.228 190 H GLN 26 H GLN 26 -6.606 -8.264 -6.932 191 HA GLN 26 HA GLN 26 -6.887 -5.497 -7.839 192 HB2 GLN 26 HB2 GLN 26 -8.040 -6.695 -5.343 193 HB3 GLN 26 HB3 GLN 26 -7.594 -5.001 -5.395 194 HG2 GLN 26 HG2 GLN 26 -9.530 -6.327 -7.278 195 HG3 GLN 26 HG3 GLN 26 -9.980 -5.392 -5.851 196 HE21 GLN 26 HE21 GLN 26 -8.662 -5.261 -9.075 197 HE22 GLN 26 HE22 GLN 26 -8.818 -3.547 -9.276 198 H GLN 27 H GLN 27 -5.574 -3.975 -6.716 199 HA GLN 27 HA GLN 27 -3.396 -5.125 -5.111 200 HB2 GLN 27 HB2 GLN 27 -3.193 -3.035 -7.286 201 HB3 GLN 27 HB3 GLN 27 -1.903 -3.382 -6.145 202 HG2 GLN 27 HG2 GLN 27 -1.722 -5.644 -6.982 203 HG3 GLN 27 HG3 GLN 27 -3.080 -5.370 -8.077 204 HE21 GLN 27 HE21 GLN 27 -2.794 -4.119 -9.896 205 HE22 GLN 27 HE22 GLN 27 -1.224 -3.679 -10.491 206 H ILE 28 H ILE 28 -3.898 -4.430 -3.116 207 HA ILE 28 HA ILE 28 -4.427 -1.549 -2.751 208 HB ILE 28 HB ILE 28 -5.621 -3.923 -1.324 209 HG12 ILE 28 HG12 ILE 28 -7.715 -2.462 -1.703 210 HG13 ILE 28 HG13 ILE 28 -6.716 -1.561 -2.834 211 HG21 ILE 28 HG21 ILE 28 -4.825 -2.420 0.405 212 HG22 ILE 28 HG22 ILE 28 -6.586 -2.397 0.323 213 HG23 ILE 28 HG23 ILE 28 -5.653 -1.070 -0.369 214 HD11 ILE 28 HD11 ILE 28 -7.350 -4.495 -2.986 215 HD12 ILE 28 HD12 ILE 28 -6.370 -3.590 -4.137 216 HD13 ILE 28 HD13 ILE 28 -8.087 -3.224 -3.958 217 H ALA 29 H ALA 29 -3.172 -0.490 -1.310 218 HA ALA 29 HA ALA 29 -1.093 -2.028 0.079 219 HB1 ALA 29 HB1 ALA 29 -1.283 0.930 -0.496 220 HB2 ALA 29 HB2 ALA 29 -0.299 -0.240 -1.378 221 HB3 ALA 29 HB3 ALA 29 0.064 0.123 0.308 222 H VAL 30 H VAL 30 -0.956 -2.048 2.280 223 HA VAL 30 HA VAL 30 -3.197 -0.683 3.673 224 HB VAL 30 HB VAL 30 -1.740 -3.181 4.585 225 HG11 VAL 30 HG11 VAL 30 -4.250 -1.851 5.607 226 HG12 VAL 30 HG12 VAL 30 -2.683 -1.888 6.417 227 HG13 VAL 30 HG13 VAL 30 -3.589 -3.382 6.185 228 HG21 VAL 30 HG21 VAL 30 -3.793 -4.393 3.969 229 HG22 VAL 30 HG22 VAL 30 -2.997 -3.674 2.570 230 HG23 VAL 30 HG23 VAL 30 -4.436 -2.914 3.251 231 H PHE 31 H PHE 31 -2.476 1.076 4.630 232 HA PHE 31 HA PHE 31 0.256 1.177 5.658 233 HD1 PHE 31 HD1 PHE 31 0.666 1.905 3.371 234 HD2 PHE 31 HD2 PHE 31 -2.608 4.537 4.027 235 HE1 PHE 31 HE1 PHE 31 0.457 2.247 0.946 236 HE2 PHE 31 HE2 PHE 31 -2.822 4.885 1.606 237 HZ PHE 31 HZ PHE 31 -1.288 3.735 0.061 238 HB2 PHE 31 HB2 PHE 31 -1.695 3.454 5.803 239 HB3 PHE 31 HB3 PHE 31 0.058 3.509 5.672 240 H ARG 32 H ARG 32 0.689 0.883 7.745 241 HA ARG 32 HA ARG 32 -1.427 1.511 9.687 242 HE ARG 32 HE ARG 32 -2.207 -1.289 13.474 243 HB2 ARG 32 HB2 ARG 32 -0.681 -0.945 9.519 244 HB3 ARG 32 HB3 ARG 32 0.836 -0.401 10.224 245 HG2 ARG 32 HG2 ARG 32 -0.332 0.382 12.199 246 HG3 ARG 32 HG3 ARG 32 -1.880 -0.085 11.490 247 HD2 ARG 32 HD2 ARG 32 -0.964 -2.438 11.368 248 HD3 ARG 32 HD3 ARG 32 0.383 -1.872 12.356 249 HH11 ARG 32 HH11 ARG 32 0.327 -3.702 13.232 250 HH12 ARG 32 HH12 ARG 32 -0.125 -4.505 14.706 251 HH21 ARG 32 HH21 ARG 32 -2.832 -2.367 15.377 252 HH22 ARG 32 HH22 ARG 32 -1.925 -3.744 15.929 253 HA PRO 33 HA PRO 33 1.873 4.671 9.987 254 HB2 PRO 33 HB2 PRO 33 -0.279 6.066 11.478 255 HB3 PRO 33 HB3 PRO 33 0.707 6.638 10.129 256 HG2 PRO 33 HG2 PRO 33 -1.860 5.991 9.783 257 HG3 PRO 33 HG3 PRO 33 -0.644 5.634 8.542 258 HD2 PRO 33 HD2 PRO 33 -1.918 3.800 10.533 259 HD3 PRO 33 HD3 PRO 33 -1.506 3.502 8.832 260 H ARG 34 H ARG 34 -0.311 3.599 12.521 261 HA ARG 34 HA ARG 34 1.934 3.637 14.402 262 HE ARG 34 HE ARG 34 -1.421 7.758 14.824 263 HB2 ARG 34 HB2 ARG 34 -0.864 4.650 14.940 264 HB3 ARG 34 HB3 ARG 34 0.334 4.350 16.194 265 HG2 ARG 34 HG2 ARG 34 1.829 5.996 15.085 266 HG3 ARG 34 HG3 ARG 34 0.517 6.368 13.964 267 HD2 ARG 34 HD2 ARG 34 0.260 6.585 16.952 268 HD3 ARG 34 HD3 ARG 34 0.770 7.924 15.928 269 HH11 ARG 34 HH11 ARG 34 -1.032 6.239 17.952 270 HH12 ARG 34 HH12 ARG 34 -2.703 6.413 18.389 271 HH21 ARG 34 HH21 ARG 34 -3.624 8.012 15.414 272 HH22 ARG 34 HH22 ARG 34 -4.169 7.411 16.954 273 H ASN 35 H ASN 35 1.486 2.203 16.314 274 HA ASN 35 HA ASN 35 0.510 -0.324 15.331 275 HB2 ASN 35 HB2 ASN 35 2.538 -0.136 16.758 276 HB3 ASN 35 HB3 ASN 35 1.523 0.403 18.091 277 HD21 ASN 35 HD21 ASN 35 2.130 -1.307 19.384 278 HD22 ASN 35 HD22 ASN 35 1.556 -2.919 19.116 279 H ASP 36 H ASP 36 -1.630 1.051 15.130 280 HA ASP 36 HA ASP 36 -3.313 0.321 17.421 281 HB2 ASP 36 HB2 ASP 36 -3.364 2.945 15.911 282 HB3 ASP 36 HB3 ASP 36 -4.634 2.423 17.009 283 H GLU 37 H GLU 37 -5.742 1.008 16.460 284 HA GLU 37 HA GLU 37 -6.088 -0.968 14.370 285 HB2 GLU 37 HB2 GLU 37 -8.120 0.609 15.954 286 HB3 GLU 37 HB3 GLU 37 -8.468 -0.758 14.907 287 HG2 GLU 37 HG2 GLU 37 -7.343 -2.264 16.345 288 HG3 GLU 37 HG3 GLU 37 -6.656 -0.945 17.290 289 H GLN 38 H GLN 38 -5.422 2.232 14.339 290 HA GLN 38 HA GLN 38 -7.262 2.974 12.221 291 HB2 GLN 38 HB2 GLN 38 -5.058 4.491 13.615 292 HB3 GLN 38 HB3 GLN 38 -5.940 5.144 12.245 293 HG2 GLN 38 HG2 GLN 38 -7.046 6.072 14.035 294 HG3 GLN 38 HG3 GLN 38 -8.043 4.667 13.669 295 HE21 GLN 38 HE21 GLN 38 -8.081 2.944 15.111 296 HE22 GLN 38 HE22 GLN 38 -7.451 3.061 16.722 297 H VAL 39 H VAL 39 -6.806 1.897 10.400 298 HA VAL 39 HA VAL 39 -4.088 2.184 9.308 299 HB VAL 39 HB VAL 39 -4.409 0.013 8.137 300 HG11 VAL 39 HG11 VAL 39 -4.549 -0.098 11.146 301 HG12 VAL 39 HG12 VAL 39 -3.095 0.120 10.170 302 HG13 VAL 39 HG13 VAL 39 -3.987 -1.399 10.097 303 HG21 VAL 39 HG21 VAL 39 -6.817 -0.254 9.941 304 HG22 VAL 39 HG22 VAL 39 -6.148 -1.526 8.920 305 HG23 VAL 39 HG23 VAL 39 -6.846 -0.085 8.184 306 H TYR 40 H TYR 40 -4.040 1.945 6.909 307 HA TYR 40 HA TYR 40 -6.518 2.886 5.645 308 HD1 TYR 40 HD1 TYR 40 -7.177 5.501 5.046 309 HD2 TYR 40 HD2 TYR 40 -3.647 5.286 7.416 310 HE1 TYR 40 HE1 TYR 40 -8.027 7.318 6.469 311 HE2 TYR 40 HE2 TYR 40 -4.486 7.105 8.846 312 HH TYR 40 HH TYR 40 -6.110 9.013 8.652 313 HB2 TYR 40 HB2 TYR 40 -3.765 4.092 5.386 314 HB3 TYR 40 HB3 TYR 40 -5.052 4.393 4.224 315 H ALA 41 H ALA 41 -7.020 1.238 4.350 316 HA ALA 41 HA ALA 41 -4.883 0.014 2.756 317 HB1 ALA 41 HB1 ALA 41 -6.405 -1.868 2.423 318 HB2 ALA 41 HB2 ALA 41 -7.642 -1.040 3.365 319 HB3 ALA 41 HB3 ALA 41 -6.142 -1.554 4.137 320 H ILE 42 H ILE 42 -4.715 1.356 1.035 321 HA ILE 42 HA ILE 42 -7.056 1.518 -0.741 322 HB ILE 42 HB ILE 42 -6.480 3.792 -1.411 323 HG12 ILE 42 HG12 ILE 42 -4.422 3.720 0.805 324 HG13 ILE 42 HG13 ILE 42 -4.051 3.656 -0.914 325 HG21 ILE 42 HG21 ILE 42 -7.185 4.979 0.600 326 HG22 ILE 42 HG22 ILE 42 -6.796 3.566 1.581 327 HG23 ILE 42 HG23 ILE 42 -8.101 3.487 0.396 328 HD11 ILE 42 HD11 ILE 42 -5.388 5.942 0.514 329 HD12 ILE 42 HD12 ILE 42 -4.996 5.881 -1.204 330 HD13 ILE 42 HD13 ILE 42 -3.705 5.880 -0.004 331 H SER 43 H SER 43 -6.344 2.053 -3.040 332 HA SER 43 HA SER 43 -4.241 0.217 -3.707 333 HG SER 43 HG SER 43 -6.135 -0.798 -4.997 334 HB2 SER 43 HB2 SER 43 -5.950 1.988 -5.468 335 HB3 SER 43 HB3 SER 43 -4.880 0.708 -6.044 336 H ASN 44 H ASN 44 -2.904 1.971 -2.316 337 HA ASN 44 HA ASN 44 -1.672 3.904 -4.166 338 HB2 ASN 44 HB2 ASN 44 -2.515 4.512 -1.782 339 HB3 ASN 44 HB3 ASN 44 -1.057 3.695 -1.228 340 HD21 ASN 44 HD21 ASN 44 -0.159 5.559 -0.399 341 HD22 ASN 44 HD22 ASN 44 0.451 6.824 -1.406 342 H ILE 45 H ILE 45 -0.814 1.919 -5.213 343 HA ILE 45 HA ILE 45 1.299 0.511 -3.755 344 HB ILE 45 HB ILE 45 0.066 -0.067 -6.456 345 HG12 ILE 45 HG12 ILE 45 -1.525 -0.276 -4.560 346 HG13 ILE 45 HG13 ILE 45 -1.219 -1.803 -5.378 347 HG21 ILE 45 HG21 ILE 45 1.092 -2.284 -6.241 348 HG22 ILE 45 HG22 ILE 45 1.881 -1.764 -4.752 349 HG23 ILE 45 HG23 ILE 45 2.295 -0.996 -6.283 350 HD11 ILE 45 HD11 ILE 45 -1.303 -2.065 -2.958 351 HD12 ILE 45 HD12 ILE 45 0.035 -0.928 -2.790 352 HD13 ILE 45 HD13 ILE 45 0.287 -2.475 -3.601 353 H ASP 46 H ASP 46 0.888 2.920 -6.060 354 HA ASP 46 HA ASP 46 2.196 3.973 -7.595 355 HB2 ASP 46 HB2 ASP 46 3.774 4.034 -5.572 356 HB3 ASP 46 HB3 ASP 46 4.600 2.669 -6.314 357 HA PRO 47 HA PRO 47 2.079 0.323 -10.304 358 HB2 PRO 47 HB2 PRO 47 1.834 2.519 -12.287 359 HB3 PRO 47 HB3 PRO 47 0.836 1.078 -12.069 360 HG2 PRO 47 HG2 PRO 47 -0.060 3.473 -11.328 361 HG3 PRO 47 HG3 PRO 47 -0.396 2.035 -10.343 362 HD2 PRO 47 HD2 PRO 47 1.629 4.197 -9.916 363 HD3 PRO 47 HD3 PRO 47 0.586 3.382 -8.734 364 H PHE 48 H PHE 48 4.390 2.705 -9.893 365 HA PHE 48 HA PHE 48 6.007 1.882 -12.168 366 HD1 PHE 48 HD1 PHE 48 7.044 3.971 -13.642 367 HD2 PHE 48 HD2 PHE 48 9.014 3.708 -9.876 368 HE1 PHE 48 HE1 PHE 48 9.210 4.327 -14.752 369 HE2 PHE 48 HE2 PHE 48 11.181 4.063 -10.982 370 HZ PHE 48 HZ PHE 48 11.279 4.375 -13.427 371 HB2 PHE 48 HB2 PHE 48 5.848 4.281 -11.453 372 HB3 PHE 48 HB3 PHE 48 6.673 3.845 -9.962 373 H ALA 49 H ALA 49 5.485 0.900 -8.956 374 HA ALA 49 HA ALA 49 8.146 -0.365 -8.872 375 HB1 ALA 49 HB1 ALA 49 8.310 0.067 -6.490 376 HB2 ALA 49 HB2 ALA 49 6.758 0.907 -6.523 377 HB3 ALA 49 HB3 ALA 49 8.141 1.572 -7.393 378 H GLN 50 H GLN 50 4.752 -0.551 -7.966 379 HA GLN 50 HA GLN 50 3.391 -2.358 -7.738 380 HB2 GLN 50 HB2 GLN 50 5.909 -3.821 -8.427 381 HB3 GLN 50 HB3 GLN 50 4.539 -4.715 -7.795 382 HG2 GLN 50 HG2 GLN 50 4.598 -4.798 -10.207 383 HG3 GLN 50 HG3 GLN 50 3.165 -3.943 -9.646 384 HE21 GLN 50 HE21 GLN 50 2.892 -1.833 -10.170 385 HE22 GLN 50 HE22 GLN 50 3.935 -0.974 -11.251 386 H ALA 51 H ALA 51 5.987 -1.720 -5.670 387 HA ALA 51 HA ALA 51 5.030 -3.677 -3.671 388 HB1 ALA 51 HB1 ALA 51 7.243 -3.546 -2.671 389 HB2 ALA 51 HB2 ALA 51 7.727 -2.336 -3.862 390 HB3 ALA 51 HB3 ALA 51 7.354 -3.983 -4.375 391 H SER 52 H SER 52 3.794 -1.119 -4.124 392 HA SER 52 HA SER 52 3.003 0.695 -3.004 393 HG SER 52 HG SER 52 4.512 -1.403 -0.755 394 HB2 SER 52 HB2 SER 52 2.507 0.259 -0.585 395 HB3 SER 52 HB3 SER 52 1.961 -1.017 -1.669 396 H VAL 53 H VAL 53 5.338 1.471 -3.673 397 HA VAL 53 HA VAL 53 7.151 1.926 -1.471 398 HB VAL 53 HB VAL 53 8.460 3.303 -3.064 399 HG11 VAL 53 HG11 VAL 53 9.086 1.453 -4.567 400 HG12 VAL 53 HG12 VAL 53 7.637 0.579 -4.064 401 HG13 VAL 53 HG13 VAL 53 8.906 0.934 -2.891 402 HG21 VAL 53 HG21 VAL 53 6.623 4.183 -4.396 403 HG22 VAL 53 HG22 VAL 53 6.291 2.569 -5.023 404 HG23 VAL 53 HG23 VAL 53 7.809 3.375 -5.420 405 H LEU 54 H LEU 54 4.313 3.249 -2.342 406 HA LEU 54 HA LEU 54 4.911 5.939 -1.424 407 HG LEU 54 HG LEU 54 3.822 4.849 -4.206 408 HB2 LEU 54 HB2 LEU 54 2.311 4.667 -2.293 409 HB3 LEU 54 HB3 LEU 54 2.534 6.367 -1.935 410 HD11 LEU 54 HD11 LEU 54 2.442 6.232 -5.641 411 HD12 LEU 54 HD12 LEU 54 1.725 7.011 -4.232 412 HD13 LEU 54 HD13 LEU 54 1.437 5.297 -4.535 413 HD21 LEU 54 HD21 LEU 54 4.016 7.759 -3.458 414 HD22 LEU 54 HD22 LEU 54 4.674 7.021 -4.919 415 HD23 LEU 54 HD23 LEU 54 5.310 6.565 -3.338 416 H SER 55 H SER 55 5.059 3.410 0.222 417 HA SER 55 HA SER 55 3.748 4.590 2.538 418 HG SER 55 HG SER 55 3.669 1.557 0.703 419 HB2 SER 55 HB2 SER 55 2.889 2.398 3.300 420 HB3 SER 55 HB3 SER 55 2.130 2.935 1.803 421 H ARG 56 H ARG 56 5.986 2.182 1.262 422 HA ARG 56 HA ARG 56 7.342 1.855 3.784 423 HE ARG 56 HE ARG 56 8.637 -0.290 0.055 424 HB2 ARG 56 HB2 ARG 56 8.332 1.007 1.064 425 HB3 ARG 56 HB3 ARG 56 8.830 0.381 2.627 426 HG2 ARG 56 HG2 ARG 56 6.596 -0.594 2.930 427 HG3 ARG 56 HG3 ARG 56 6.138 -0.001 1.329 428 HD2 ARG 56 HD2 ARG 56 8.150 -2.105 2.055 429 HD3 ARG 56 HD3 ARG 56 6.766 -2.227 0.968 430 HH11 ARG 56 HH11 ARG 56 8.059 -3.741 0.216 431 HH12 ARG 56 HH12 ARG 56 9.065 -4.084 -1.163 432 HH21 ARG 56 HH21 ARG 56 9.939 -0.736 -1.725 433 HH22 ARG 56 HH22 ARG 56 10.140 -2.375 -2.271 434 H GLY 57 H GLY 57 7.377 4.389 3.574 435 HA2 GLY 57 HA2 GLY 57 10.177 5.019 3.071 436 HA3 GLY 57 HA3 GLY 57 8.999 5.959 2.164 437 H ILE 58 H ILE 58 8.240 7.755 3.082 438 HA ILE 58 HA ILE 58 8.540 8.026 6.003 439 HB ILE 58 HB ILE 58 8.770 10.226 3.938 440 HG12 ILE 58 HG12 ILE 58 10.754 8.776 3.977 441 HG13 ILE 58 HG13 ILE 58 11.126 10.367 4.633 442 HG21 ILE 58 HG21 ILE 58 9.075 10.330 6.937 443 HG22 ILE 58 HG22 ILE 58 7.748 11.017 6.000 444 HG23 ILE 58 HG23 ILE 58 9.379 11.667 5.827 445 HD11 ILE 58 HD11 ILE 58 10.956 9.454 6.900 446 HD12 ILE 58 HD12 ILE 58 12.184 8.630 5.939 447 HD13 ILE 58 HD13 ILE 58 10.623 7.860 6.224 448 H VAL 59 H VAL 59 6.576 7.669 6.748 449 HA VAL 59 HA VAL 59 4.217 8.827 5.530 450 HB VAL 59 HB VAL 59 4.582 7.331 8.139 451 HG11 VAL 59 HG11 VAL 59 2.615 8.793 8.188 452 HG12 VAL 59 HG12 VAL 59 2.145 7.094 8.141 453 HG13 VAL 59 HG13 VAL 59 2.040 8.077 6.682 454 HG21 VAL 59 HG21 VAL 59 5.073 5.947 6.201 455 HG22 VAL 59 HG22 VAL 59 3.531 6.392 5.472 456 HG23 VAL 59 HG23 VAL 59 3.561 5.440 6.955 457 H ALA 60 H ALA 60 4.087 10.975 5.739 458 HA ALA 60 HA ALA 60 5.037 12.172 8.256 459 HB1 ALA 60 HB1 ALA 60 6.556 12.596 6.391 460 HB2 ALA 60 HB2 ALA 60 5.810 14.085 6.972 461 HB3 ALA 60 HB3 ALA 60 5.236 13.333 5.484 462 H GLU 61 H GLU 61 3.389 12.921 9.395 463 HA GLU 61 HA GLU 61 1.017 14.016 8.243 464 HB2 GLU 61 HB2 GLU 61 1.072 13.093 10.531 465 HB3 GLU 61 HB3 GLU 61 2.187 14.359 11.017 466 HG2 GLU 61 HG2 GLU 61 0.507 16.042 10.671 467 HG3 GLU 61 HG3 GLU 61 -0.607 14.844 10.017 468 H HIS 62 H HIS 62 1.192 15.743 6.978 469 HA HIS 62 HA HIS 62 3.474 17.355 6.836 470 HD2 HIS 62 HD2 HIS 62 0.761 20.524 4.976 471 HE1 HIS 62 HE1 HIS 62 4.714 20.527 3.455 472 HE2 HIS 62 HE2 HIS 62 2.679 21.952 3.953 473 HB2 HIS 62 HB2 HIS 62 1.871 16.968 4.971 474 HB3 HIS 62 HB3 HIS 62 0.703 17.992 5.798 475 H GLN 63 H GLN 63 0.222 18.256 7.928 476 HA GLN 63 HA GLN 63 1.423 19.953 9.979 477 HB2 GLN 63 HB2 GLN 63 -0.697 20.894 8.029 478 HB3 GLN 63 HB3 GLN 63 -0.217 21.767 9.474 479 HG2 GLN 63 HG2 GLN 63 2.001 22.094 8.599 480 HG3 GLN 63 HG3 GLN 63 1.624 21.103 7.192 481 HE21 GLN 63 HE21 GLN 63 -1.077 22.213 6.961 482 HE22 GLN 63 HE22 GLN 63 -0.875 23.794 6.290 483 H ASP 64 H ASP 64 -1.787 19.322 8.636 484 HA ASP 64 HA ASP 64 -2.641 18.305 11.266 485 HB2 ASP 64 HB2 ASP 64 -3.617 20.504 10.769 486 HB3 ASP 64 HB3 ASP 64 -4.232 19.897 9.236 487 H ASP 65 H ASP 65 -2.008 17.472 8.131 488 HA ASP 65 HA ASP 65 -4.111 15.413 8.077 489 HB2 ASP 65 HB2 ASP 65 -4.248 17.411 6.394 490 HB3 ASP 65 HB3 ASP 65 -2.955 16.561 5.555 491 H LEU 66 H LEU 66 -3.405 13.665 6.318 492 HA LEU 66 HA LEU 66 -0.720 12.847 7.216 493 HG LEU 66 HG LEU 66 -3.265 12.177 8.839 494 HB2 LEU 66 HB2 LEU 66 -3.142 11.156 6.596 495 HB3 LEU 66 HB3 LEU 66 -1.558 10.516 6.983 496 HD11 LEU 66 HD11 LEU 66 -2.661 9.225 8.806 497 HD12 LEU 66 HD12 LEU 66 -4.223 9.982 8.491 498 HD13 LEU 66 HD13 LEU 66 -3.504 10.081 10.098 499 HD21 LEU 66 HD21 LEU 66 -0.662 10.733 9.326 500 HD22 LEU 66 HD22 LEU 66 -1.619 11.594 10.532 501 HD23 LEU 66 HD23 LEU 66 -0.864 12.481 9.208 502 H TRP 67 H TRP 67 0.707 12.946 5.638 503 HA TRP 67 HA TRP 67 -0.102 12.085 2.938 504 HD1 TRP 67 HD1 TRP 67 0.113 15.310 5.311 505 HE1 TRP 67 HE1 TRP 67 -1.645 17.111 4.818 506 HE3 TRP 67 HE3 TRP 67 -0.243 14.766 0.214 507 HZ2 TRP 67 HZ2 TRP 67 -3.018 18.151 2.605 508 HZ3 TRP 67 HZ3 TRP 67 -1.817 16.204 -0.989 509 HH2 TRP 67 HH2 TRP 67 -3.178 17.862 0.174 510 HB2 TRP 67 HB2 TRP 67 1.992 14.205 3.491 511 HB3 TRP 67 HB3 TRP 67 1.279 13.777 1.943 512 H VAL 68 H VAL 68 1.896 11.377 1.657 513 HA VAL 68 HA VAL 68 3.967 10.284 3.438 514 HB VAL 68 HB VAL 68 2.350 8.499 2.868 515 HG11 VAL 68 HG11 VAL 68 2.235 7.636 0.583 516 HG12 VAL 68 HG12 VAL 68 3.235 8.977 0.027 517 HG13 VAL 68 HG13 VAL 68 1.631 9.291 0.688 518 HG21 VAL 68 HG21 VAL 68 3.985 6.841 2.121 519 HG22 VAL 68 HG22 VAL 68 4.667 7.925 3.334 520 HG23 VAL 68 HG23 VAL 68 5.075 8.137 1.632 521 H ALA 69 H ALA 69 6.025 10.180 2.604 522 HA ALA 69 HA ALA 69 6.436 11.650 0.092 523 HB1 ALA 69 HB1 ALA 69 7.493 12.633 2.050 524 HB2 ALA 69 HB2 ALA 69 8.713 12.053 0.916 525 HB3 ALA 69 HB3 ALA 69 8.344 11.122 2.370 526 H SER 70 H SER 70 7.180 10.620 -1.634 527 HA SER 70 HA SER 70 7.960 7.828 -1.404 528 HG SER 70 HG SER 70 7.390 6.803 -4.017 529 HB2 SER 70 HB2 SER 70 6.339 8.427 -3.139 530 HB3 SER 70 HB3 SER 70 7.489 9.568 -3.839 531 HA PRO 71 HA PRO 71 12.296 8.851 -1.655 532 HB2 PRO 71 HB2 PRO 71 13.205 6.336 -2.144 533 HB3 PRO 71 HB3 PRO 71 12.697 6.883 -0.543 534 HG2 PRO 71 HG2 PRO 71 11.189 5.269 -2.559 535 HG3 PRO 71 HG3 PRO 71 11.296 5.052 -0.802 536 HD2 PRO 71 HD2 PRO 71 9.167 6.227 -1.997 537 HD3 PRO 71 HD3 PRO 71 9.728 6.685 -0.376 538 H LEU 72 H LEU 72 10.372 7.437 -4.142 539 HA LEU 72 HA LEU 72 12.479 7.587 -6.146 540 HG LEU 72 HG LEU 72 10.674 5.164 -5.096 541 HB2 LEU 72 HB2 LEU 72 9.556 6.872 -6.445 542 HB3 LEU 72 HB3 LEU 72 10.784 6.711 -7.685 543 HD11 LEU 72 HD11 LEU 72 8.965 4.483 -6.695 544 HD12 LEU 72 HD12 LEU 72 10.209 3.245 -6.530 545 HD13 LEU 72 HD13 LEU 72 10.195 4.299 -7.945 546 HD21 LEU 72 HD21 LEU 72 12.972 5.601 -5.811 547 HD22 LEU 72 HD22 LEU 72 12.600 4.953 -7.409 548 HD23 LEU 72 HD23 LEU 72 12.553 3.897 -5.996 549 H LYS 73 H LYS 73 9.268 8.985 -5.581 550 HA LYS 73 HA LYS 73 10.146 11.381 -7.003 551 HB2 LYS 73 HB2 LYS 73 7.620 11.619 -7.605 552 HB3 LYS 73 HB3 LYS 73 8.651 10.580 -8.575 553 HG2 LYS 73 HG2 LYS 73 7.806 8.620 -7.398 554 HG3 LYS 73 HG3 LYS 73 6.787 9.658 -6.392 555 HD2 LYS 73 HD2 LYS 73 5.510 10.358 -8.296 556 HD3 LYS 73 HD3 LYS 73 6.626 9.564 -9.404 557 HE2 LYS 73 HE2 LYS 73 4.896 8.158 -7.373 558 HE3 LYS 73 HE3 LYS 73 4.532 8.302 -9.092 559 HZ1 LYS 73 HZ1 LYS 73 5.524 6.179 -8.682 560 HZ2 LYS 73 HZ2 LYS 73 6.828 6.877 -7.873 561 HZ3 LYS 73 HZ3 LYS 73 6.650 7.124 -9.540 562 H LYS 74 H LYS 74 10.480 12.740 -5.462 563 HA LYS 74 HA LYS 74 9.316 12.619 -2.896 564 HB2 LYS 74 HB2 LYS 74 10.884 14.843 -4.205 565 HB3 LYS 74 HB3 LYS 74 10.513 14.743 -2.490 566 HG2 LYS 74 HG2 LYS 74 11.854 12.780 -2.243 567 HG3 LYS 74 HG3 LYS 74 12.096 12.666 -3.988 568 HD2 LYS 74 HD2 LYS 74 14.062 13.610 -2.900 569 HD3 LYS 74 HD3 LYS 74 13.297 14.800 -3.955 570 HE2 LYS 74 HE2 LYS 74 12.152 15.732 -1.949 571 HE3 LYS 74 HE3 LYS 74 13.103 14.633 -0.949 572 HZ1 LYS 74 HZ1 LYS 74 14.214 16.706 -2.761 573 HZ2 LYS 74 HZ2 LYS 74 15.112 15.685 -1.752 574 HZ3 LYS 74 HZ3 LYS 74 14.083 16.850 -1.077 575 H GLN 75 H GLN 75 7.064 12.632 -3.544 576 HA GLN 75 HA GLN 75 6.028 15.379 -3.541 577 HB2 GLN 75 HB2 GLN 75 4.861 12.997 -5.004 578 HB3 GLN 75 HB3 GLN 75 4.081 14.564 -4.855 579 HG2 GLN 75 HG2 GLN 75 5.806 15.616 -6.144 580 HG3 GLN 75 HG3 GLN 75 6.751 14.129 -6.168 581 HE21 GLN 75 HE21 GLN 75 3.288 14.175 -6.562 582 HE22 GLN 75 HE22 GLN 75 3.273 13.715 -8.233 583 H HIS 76 H HIS 76 4.089 15.644 -2.319 584 HA HIS 76 HA HIS 76 3.922 13.731 -0.132 585 HD1 HIS 76 HD1 HIS 76 5.276 17.250 -0.786 586 HD2 HIS 76 HD2 HIS 76 4.207 15.588 2.882 587 HE1 HIS 76 HE1 HIS 76 7.077 17.944 0.832 588 HE2 HIS 76 HE2 HIS 76 6.329 17.063 3.073 589 HB2 HIS 76 HB2 HIS 76 2.723 16.472 -0.532 590 HB3 HIS 76 HB3 HIS 76 2.364 15.463 0.863 591 H PHE 77 H PHE 77 2.830 11.973 -0.956 592 HA PHE 77 HA PHE 77 0.298 12.272 -2.320 593 HD1 PHE 77 HD1 PHE 77 3.758 10.855 -2.227 594 HD2 PHE 77 HD2 PHE 77 0.376 9.574 -4.461 595 HE1 PHE 77 HE1 PHE 77 5.162 10.688 -4.240 596 HE2 PHE 77 HE2 PHE 77 1.773 9.408 -6.482 597 HZ PHE 77 HZ PHE 77 4.168 9.964 -6.374 598 HB2 PHE 77 HB2 PHE 77 1.643 9.809 -1.172 599 HB3 PHE 77 HB3 PHE 77 0.193 9.795 -2.166 600 H ARG 78 H ARG 78 -1.617 12.574 -1.329 601 HA ARG 78 HA ARG 78 -1.717 12.488 1.554 602 HE ARG 78 HE ARG 78 -5.523 14.831 3.540 603 HB2 ARG 78 HB2 ARG 78 -2.854 14.254 0.174 604 HB3 ARG 78 HB3 ARG 78 -3.993 13.022 -0.357 605 HG2 ARG 78 HG2 ARG 78 -4.748 12.681 1.907 606 HG3 ARG 78 HG3 ARG 78 -3.538 13.814 2.511 607 HD2 ARG 78 HD2 ARG 78 -4.604 15.614 1.238 608 HD3 ARG 78 HD3 ARG 78 -5.816 14.476 0.647 609 HH11 ARG 78 HH11 ARG 78 -7.390 15.370 0.611 610 HH12 ARG 78 HH12 ARG 78 -8.827 15.843 1.467 611 HH21 ARG 78 HH21 ARG 78 -7.398 15.451 4.653 612 HH22 ARG 78 HH22 ARG 78 -8.829 15.891 3.764 613 H LEU 79 H LEU 79 -2.322 10.830 2.745 614 HA LEU 79 HA LEU 79 -3.081 8.361 1.506 615 HG LEU 79 HG LEU 79 -0.765 9.429 3.437 616 HB2 LEU 79 HB2 LEU 79 -2.983 9.061 4.439 617 HB3 LEU 79 HB3 LEU 79 -3.020 7.446 3.756 618 HD11 LEU 79 HD11 LEU 79 0.482 7.858 4.856 619 HD12 LEU 79 HD12 LEU 79 -0.994 6.926 5.098 620 HD13 LEU 79 HD13 LEU 79 -0.888 8.581 5.699 621 HD21 LEU 79 HD21 LEU 79 -0.974 7.979 1.495 622 HD22 LEU 79 HD22 LEU 79 -1.013 6.560 2.542 623 HD23 LEU 79 HD23 LEU 79 0.448 7.544 2.443 624 H TYR 80 H TYR 80 -4.808 11.019 2.707 625 HA TYR 80 HA TYR 80 -7.235 9.416 3.146 626 HD1 TYR 80 HD2 TYR 80 -8.682 9.335 5.123 627 HD2 TYR 80 HD1 TYR 80 -8.569 13.507 4.282 628 HE1 TYR 80 HE2 TYR 80 -11.021 9.545 5.865 629 HE2 TYR 80 HE1 TYR 80 -10.902 13.725 5.017 630 HH TYR 80 HH TYR 80 -12.574 11.198 6.655 631 HB2 TYR 80 HB2 TYR 80 -6.451 10.873 5.009 632 HB3 TYR 80 HB3 TYR 80 -6.657 12.274 3.969 633 H ASP 81 H ASP 81 -5.950 10.488 0.563 634 HA ASP 81 HA ASP 81 -8.426 11.495 -0.595 635 HB2 ASP 81 HB2 ASP 81 -7.268 13.534 0.093 636 HB3 ASP 81 HB3 ASP 81 -5.818 13.019 -0.756 637 H GLY 82 H GLY 82 -4.991 11.223 -1.495 638 HA2 GLY 82 HA2 GLY 82 -4.448 9.269 -2.975 639 HA3 GLY 82 HA3 GLY 82 -5.854 9.761 -3.907 640 H PHE 83 H PHE 83 -5.285 12.620 -3.530 641 HA PHE 83 HA PHE 83 -3.583 12.974 -5.792 642 HD1 PHE 83 HD2 PHE 83 -4.392 14.413 -7.539 643 HD2 PHE 83 HD1 PHE 83 -3.396 17.086 -4.383 644 HE1 PHE 83 HE2 PHE 83 -3.474 15.996 -9.181 645 HE2 PHE 83 HE1 PHE 83 -2.476 18.679 -6.021 646 HZ PHE 83 HZ PHE 83 -2.512 18.131 -8.421 647 HB2 PHE 83 HB2 PHE 83 -5.536 14.455 -5.136 648 HB3 PHE 83 HB3 PHE 83 -4.501 15.130 -3.884 649 H CYS 84 H CYS 84 -1.623 14.262 -5.839 650 HA CYS 84 HA CYS 84 0.089 13.406 -3.622 651 HG CYS 84 HG CYS 84 -0.716 11.574 -5.753 652 HB2 CYS 84 HB2 CYS 84 1.061 14.354 -6.299 653 HB3 CYS 84 HB3 CYS 84 1.830 13.234 -5.177 654 H LEU 85 H LEU 85 -1.500 15.858 -3.513 655 HA LEU 85 HA LEU 85 -1.404 18.056 -2.983 656 HG LEU 85 HG LEU 85 1.163 19.718 -2.098 657 HB2 LEU 85 HB2 LEU 85 -0.107 17.149 -1.140 658 HB3 LEU 85 HB3 LEU 85 1.363 17.264 -2.088 659 HD11 LEU 85 HD11 LEU 85 -1.215 19.255 -0.299 660 HD12 LEU 85 HD12 LEU 85 -1.258 19.908 -1.936 661 HD13 LEU 85 HD13 LEU 85 -0.471 20.816 -0.648 662 HD21 LEU 85 HD21 LEU 85 2.468 18.608 -0.367 663 HD22 LEU 85 HD22 LEU 85 1.032 18.491 0.651 664 HD23 LEU 85 HD23 LEU 85 1.705 20.071 0.251 665 H GLU 86 H GLU 86 1.991 17.687 -3.889 666 HA GLU 86 HA GLU 86 2.057 20.324 -4.975 667 HB2 GLU 86 HB2 GLU 86 4.135 18.136 -5.102 668 HB3 GLU 86 HB3 GLU 86 4.413 19.857 -5.339 669 HG2 GLU 86 HG2 GLU 86 4.117 20.343 -3.086 670 HG3 GLU 86 HG3 GLU 86 3.267 18.832 -2.775 671 H ASP 87 H ASP 87 1.479 17.210 -6.281 672 HA ASP 87 HA ASP 87 1.031 18.199 -8.918 673 HB2 ASP 87 HB2 ASP 87 3.644 17.826 -8.575 674 HB3 ASP 87 HB3 ASP 87 3.211 16.142 -8.839 675 H GLY 88 H GLY 88 1.313 15.721 -10.273 676 HA2 GLY 88 HA2 GLY 88 -0.370 13.927 -8.657 677 HA3 GLY 88 HA3 GLY 88 -0.621 14.177 -10.381 678 H ALA 89 H ALA 89 -0.323 11.982 -10.748 679 HA ALA 89 HA ALA 89 2.123 11.094 -11.630 680 HB1 ALA 89 HB1 ALA 89 2.897 9.517 -9.938 681 HB2 ALA 89 HB2 ALA 89 1.611 10.033 -8.848 682 HB3 ALA 89 HB3 ALA 89 2.894 11.158 -9.291 683 H TYR 90 H TYR 90 -0.201 9.519 -9.481 684 HA TYR 90 HA TYR 90 -1.386 8.051 -11.677 685 HD1 TYR 90 HD1 TYR 90 -0.312 5.842 -12.934 686 HD2 TYR 90 HD2 TYR 90 2.218 6.822 -9.660 687 HE1 TYR 90 HE1 TYR 90 1.661 5.306 -14.304 688 HE2 TYR 90 HE2 TYR 90 4.195 6.300 -11.021 689 HH TYR 90 HH TYR 90 4.688 4.810 -13.041 690 HB2 TYR 90 HB2 TYR 90 -0.079 6.664 -9.317 691 HB3 TYR 90 HB3 TYR 90 -1.114 5.878 -10.498 692 H SER 91 H SER 91 -3.428 8.687 -11.310 693 HA SER 91 HA SER 91 -4.618 9.326 -8.882 694 HG SER 91 HG SER 91 -5.654 10.847 -10.956 695 HB2 SER 91 HB2 SER 91 -6.049 8.073 -11.234 696 HB3 SER 91 HB3 SER 91 -6.714 9.191 -10.042 697 H VAL 92 H VAL 92 -4.559 8.004 -7.163 698 HA VAL 92 HA VAL 92 -4.928 5.133 -7.529 699 HB VAL 92 HB VAL 92 -4.263 4.918 -5.169 700 HG11 VAL 92 HG11 VAL 92 -2.537 4.835 -6.857 701 HG12 VAL 92 HG12 VAL 92 -1.926 5.669 -5.427 702 HG13 VAL 92 HG13 VAL 92 -2.404 6.595 -6.850 703 HG21 VAL 92 HG21 VAL 92 -5.148 7.021 -4.313 704 HG22 VAL 92 HG22 VAL 92 -3.957 7.919 -5.252 705 HG23 VAL 92 HG23 VAL 92 -3.431 6.868 -3.936 706 H ALA 93 H ALA 93 -6.376 3.944 -6.143 707 HA ALA 93 HA ALA 93 -8.871 5.433 -5.763 708 HB1 ALA 93 HB1 ALA 93 -10.000 3.278 -5.925 709 HB2 ALA 93 HB2 ALA 93 -8.441 2.461 -6.033 710 HB3 ALA 93 HB3 ALA 93 -8.958 3.548 -7.322 711 H ALA 94 H ALA 94 -9.468 5.932 -3.789 712 HA ALA 94 HA ALA 94 -8.430 4.457 -1.503 713 HB1 ALA 94 HB1 ALA 94 -8.325 6.902 -1.417 714 HB2 ALA 94 HB2 ALA 94 -9.376 6.264 -0.153 715 HB3 ALA 94 HB3 ALA 94 -10.077 6.989 -1.600 716 H TYR 95 H TYR 95 -9.559 2.584 -1.512 717 HA TYR 95 HA TYR 95 -12.400 2.457 -1.810 718 HD1 TYR 95 HD2 TYR 95 -13.100 0.653 -3.415 719 HD2 TYR 95 HD1 TYR 95 -8.971 -0.032 -2.649 720 HE1 TYR 95 HE2 TYR 95 -12.761 0.099 -5.787 721 HE2 TYR 95 HE1 TYR 95 -8.619 -0.595 -5.016 722 HH TYR 95 HH TYR 95 -9.990 -1.428 -6.938 723 HB2 TYR 95 HB2 TYR 95 -10.376 0.424 -0.873 724 HB3 TYR 95 HB3 TYR 95 -12.092 0.075 -1.045 725 H ASP 96 H ASP 96 -13.814 1.471 -0.147 726 HA ASP 96 HA ASP 96 -13.432 2.792 2.407 727 HB2 ASP 96 HB2 ASP 96 -15.646 2.735 1.143 728 HB3 ASP 96 HB3 ASP 96 -15.748 1.034 1.582 729 H THR 97 H THR 97 -12.942 1.788 4.280 730 HA THR 97 HA THR 97 -12.447 -1.127 4.176 731 HB THR 97 HB THR 97 -10.373 -0.705 5.498 732 HG1 THR 97 HG1 THR 97 -11.170 1.522 6.100 733 HG21 THR 97 HG21 THR 97 -10.237 -1.034 3.081 734 HG22 THR 97 HG22 THR 97 -9.019 0.120 3.625 735 HG23 THR 97 HG23 THR 97 -10.482 0.693 2.823 736 H GLN 98 H GLN 98 -12.823 -2.247 6.081 737 HA GLN 98 HA GLN 98 -13.473 -0.680 8.479 738 HB2 GLN 98 HB2 GLN 98 -15.352 -2.184 8.989 739 HB3 GLN 98 HB3 GLN 98 -15.614 -1.282 7.507 740 HG2 GLN 98 HG2 GLN 98 -15.070 -3.215 6.176 741 HG3 GLN 98 HG3 GLN 98 -14.641 -4.127 7.621 742 HE21 GLN 98 HE21 GLN 98 -17.354 -1.952 7.527 743 HE22 GLN 98 HE22 GLN 98 -18.587 -3.165 7.592 744 H VAL 99 H VAL 99 -13.017 -1.672 10.425 745 HA VAL 99 HA VAL 99 -11.331 -4.077 10.239 746 HB VAL 99 HB VAL 99 -11.564 -2.111 12.533 747 HG11 VAL 99 HG11 VAL 99 -9.570 -3.228 13.409 748 HG12 VAL 99 HG12 VAL 99 -9.625 -4.378 12.070 749 HG13 VAL 99 HG13 VAL 99 -10.926 -4.347 13.261 750 HG21 VAL 99 HG21 VAL 99 -9.350 -1.323 11.850 751 HG22 VAL 99 HG22 VAL 99 -10.546 -1.069 10.580 752 HG23 VAL 99 HG23 VAL 99 -9.397 -2.400 10.454 753 H THR 100 H THR 100 -12.593 -5.816 10.432 754 HA THR 100 HA THR 100 -14.962 -5.766 12.084 755 HB THR 100 HB THR 100 -13.833 -8.161 10.637 756 HG1 THR 100 HG1 THR 100 -15.340 -7.373 8.937 757 HG21 THR 100 HG21 THR 100 -16.186 -8.838 10.529 758 HG22 THR 100 HG22 THR 100 -16.656 -7.365 11.378 759 HG23 THR 100 HG23 THR 100 -15.683 -8.584 12.201 760 H ASN 101 H ASN 101 -13.783 -5.384 14.061 761 HA ASN 101 HA ASN 101 -13.238 -6.047 16.147 762 HB2 ASN 101 HB2 ASN 101 -13.728 -8.797 15.030 763 HB3 ASN 101 HB3 ASN 101 -13.197 -8.536 16.689 764 HD21 ASN 101 HD21 ASN 101 -15.653 -9.729 15.852 765 HD22 ASN 101 HD22 ASN 101 -16.932 -8.728 16.453 766 H GLY 102 H GLY 102 -11.562 -7.887 13.652 767 HA2 GLY 102 HA2 GLY 102 -9.030 -7.100 14.887 768 HA3 GLY 102 HA3 GLY 102 -9.322 -8.823 14.687 769 H ASN 103 H ASN 103 -10.517 -8.953 12.246 770 HA ASN 103 HA ASN 103 -8.238 -8.513 10.536 771 HB2 ASN 103 HB2 ASN 103 -9.534 -9.748 8.843 772 HB3 ASN 103 HB3 ASN 103 -9.464 -10.619 10.370 773 HD21 ASN 103 HD21 ASN 103 -11.330 -10.902 11.567 774 HD22 ASN 103 HD22 ASN 103 -12.910 -10.549 10.940 775 H VAL 104 H VAL 104 -8.276 -7.386 8.557 776 HA VAL 104 HA VAL 104 -10.119 -5.095 8.587 777 HB VAL 104 HB VAL 104 -7.450 -5.347 7.186 778 HG11 VAL 104 HG11 VAL 104 -9.236 -2.949 7.588 779 HG12 VAL 104 HG12 VAL 104 -8.952 -3.789 6.063 780 HG13 VAL 104 HG13 VAL 104 -7.631 -2.929 6.857 781 HG21 VAL 104 HG21 VAL 104 -7.180 -5.340 9.608 782 HG22 VAL 104 HG22 VAL 104 -8.171 -3.887 9.725 783 HG23 VAL 104 HG23 VAL 104 -6.609 -3.825 8.913 784 H GLN 105 H GLN 105 -11.569 -4.872 7.024 785 HA GLN 105 HA GLN 105 -11.257 -6.483 4.572 786 HB2 GLN 105 HB2 GLN 105 -13.828 -5.745 5.992 787 HB3 GLN 105 HB3 GLN 105 -13.710 -6.658 4.493 788 HG2 GLN 105 HG2 GLN 105 -12.496 -8.429 5.682 789 HG3 GLN 105 HG3 GLN 105 -12.672 -7.523 7.183 790 HE21 GLN 105 HE21 GLN 105 -15.382 -6.625 6.509 791 HE22 GLN 105 HE22 GLN 105 -16.399 -8.005 6.713 792 H ILE 106 H ILE 106 -11.529 -5.447 2.656 793 HA ILE 106 HA ILE 106 -12.313 -2.617 2.763 794 HB ILE 106 HB ILE 106 -10.871 -2.062 1.021 795 HG12 ILE 106 HG12 ILE 106 -11.508 -3.964 -0.482 796 HG13 ILE 106 HG13 ILE 106 -9.797 -3.568 -0.517 797 HG21 ILE 106 HG21 ILE 106 -9.408 -4.197 2.565 798 HG22 ILE 106 HG22 ILE 106 -9.644 -2.524 3.068 799 HG23 ILE 106 HG23 ILE 106 -8.661 -2.887 1.650 800 HD11 ILE 106 HD11 ILE 106 -10.156 -5.965 -0.543 801 HD12 ILE 106 HD12 ILE 106 -11.041 -5.859 0.980 802 HD13 ILE 106 HD13 ILE 106 -9.323 -5.467 0.929 803 H SER 107 H SER 107 -13.683 -1.814 1.150 804 HA SER 107 HA SER 107 -15.441 -3.786 -0.040 805 HG SER 107 HG SER 107 -17.262 -2.827 -0.984 806 HB2 SER 107 HB2 SER 107 -16.318 -1.700 1.033 807 HB3 SER 107 HB3 SER 107 -15.532 -0.759 -0.232 808 H ILE 108 H ILE 108 -14.675 -4.743 -1.829 809 HA ILE 108 HA ILE 108 -12.873 -3.342 -3.602 810 HB ILE 108 HB ILE 108 -12.825 -5.461 -4.894 811 HG12 ILE 108 HG12 ILE 108 -14.578 -6.542 -2.676 812 HG13 ILE 108 HG13 ILE 108 -15.150 -6.176 -4.301 813 HG21 ILE 108 HG21 ILE 108 -12.322 -5.721 -1.934 814 HG22 ILE 108 HG22 ILE 108 -11.213 -5.056 -3.135 815 HG23 ILE 108 HG23 ILE 108 -11.646 -6.765 -3.185 816 HD11 ILE 108 HD11 ILE 108 -13.633 -7.851 -5.212 817 HD12 ILE 108 HD12 ILE 108 -14.728 -8.551 -4.020 818 HD13 ILE 108 HD13 ILE 108 -13.051 -8.214 -3.587 819 H ALA 109 H ALA 109 -13.228 -2.835 -5.730 820 HA ALA 109 HA ALA 109 -16.038 -2.747 -6.579 821 HB1 ALA 109 HB1 ALA 109 -14.906 -0.580 -6.518 822 HB2 ALA 109 HB2 ALA 109 -15.336 -1.023 -8.170 823 HB3 ALA 109 HB3 ALA 109 -13.670 -1.187 -7.618 824 H ASP 110 H ASP 110 -16.574 -3.375 -8.730 825 HA ASP 110 HA ASP 110 -15.039 -5.659 -9.605 826 HB2 ASP 110 HB2 ASP 110 -16.870 -6.166 -11.031 827 HB3 ASP 110 HB3 ASP 110 -17.569 -5.566 -9.533 828 H SER 111 H SER 111 -14.860 -5.855 -12.167 829 HA SER 111 HA SER 111 -13.979 -3.368 -13.356 830 HG SER 111 HG SER 111 -11.336 -2.918 -13.549 831 HB2 SER 111 HB2 SER 111 -12.070 -4.102 -11.903 832 HB3 SER 111 HB3 SER 111 -11.957 -5.567 -12.873 833 H ASP 112 H ASP 112 -13.537 -6.903 -13.705 834 HA ASP 112 HA ASP 112 -13.735 -8.315 -15.463 835 HB2 ASP 112 HB2 ASP 112 -16.033 -7.665 -15.678 836 HB3 ASP 112 HB3 ASP 112 -15.597 -6.152 -16.461 837 H VAL 113 H VAL 113 -11.761 -8.492 -16.308 838 HA VAL 113 HA VAL 113 -11.063 -6.943 -18.642 839 HB VAL 113 HB VAL 113 -10.342 -5.464 -16.778 840 HG11 VAL 113 HG11 VAL 113 -9.849 -7.137 -15.097 841 HG12 VAL 113 HG12 VAL 113 -8.435 -6.118 -15.377 842 HG13 VAL 113 HG13 VAL 113 -8.503 -7.741 -16.064 843 HG21 VAL 113 HG21 VAL 113 -8.082 -6.648 -18.386 844 HG22 VAL 113 HG22 VAL 113 -8.052 -5.087 -17.569 845 HG23 VAL 113 HG23 VAL 113 -9.172 -5.359 -18.904 846 H ALA 114 H ALA 114 -9.389 -7.907 -19.849 847 HA ALA 114 HA ALA 114 -9.061 -10.703 -19.475 848 HB1 ALA 114 HB1 ALA 114 -9.084 -9.657 -21.691 849 HB2 ALA 114 HB2 ALA 114 -7.622 -10.607 -21.430 850 HB3 ALA 114 HB3 ALA 114 -7.562 -8.848 -21.320 851 H VAL 115 H VAL 115 -7.573 -11.790 -18.370 852 HA VAL 115 HA VAL 115 -5.761 -10.388 -16.685 853 HB VAL 115 HB VAL 115 -4.956 -12.648 -16.009 854 HG11 VAL 115 HG11 VAL 115 -7.945 -12.248 -16.030 855 HG12 VAL 115 HG12 VAL 115 -6.809 -11.608 -14.843 856 HG13 VAL 115 HG13 VAL 115 -7.069 -13.348 -14.966 857 HG21 VAL 115 HG21 VAL 115 -5.262 -13.801 -18.140 858 HG22 VAL 115 HG22 VAL 115 -7.010 -13.611 -18.001 859 HG23 VAL 115 HG23 VAL 115 -6.140 -14.622 -16.850 860 H ASP 116 H ASP 116 -3.481 -10.653 -16.570 861 HA ASP 116 HA ASP 116 -2.217 -10.425 -19.142 862 HB2 ASP 116 HB2 ASP 116 -1.558 -8.971 -17.265 863 HB3 ASP 116 HB3 ASP 116 -1.038 -10.380 -16.351 864 H ASN 117 H ASN 117 -1.274 -12.001 -20.244 865 HA ASN 117 HA ASN 117 -1.414 -14.677 -19.423 866 HB2 ASN 117 HB2 ASN 117 0.135 -15.108 -21.411 867 HB3 ASN 117 HB3 ASN 117 -1.419 -14.365 -21.743 868 HD21 ASN 117 HD21 ASN 117 1.373 -12.636 -20.434 869 HD22 ASN 117 HD22 ASN 117 1.641 -11.666 -21.841 870 H SER 118 H SER 118 -0.159 -15.949 -18.269 871 HA SER 118 HA SER 118 2.533 -14.955 -17.590 872 HG SER 118 HG SER 118 3.117 -16.654 -15.509 873 HB2 SER 118 HB2 SER 118 0.864 -14.939 -15.706 874 HB3 SER 118 HB3 SER 118 0.770 -16.696 -15.848 875 H GLN 119 H GLN 119 0.970 -17.256 -19.352 876 HA GLN 119 HA GLN 119 3.121 -19.216 -18.911 877 HB2 GLN 119 HB2 GLN 119 0.317 -19.701 -19.927 878 HB3 GLN 119 HB3 GLN 119 1.592 -20.906 -19.951 879 HG2 GLN 119 HG2 GLN 119 0.398 -21.449 -18.052 880 HG3 GLN 119 HG3 GLN 119 1.736 -20.495 -17.414 881 HE21 GLN 119 HE21 GLN 119 0.603 -19.933 -15.569 882 HE22 GLN 119 HE22 GLN 119 -0.716 -18.805 -15.596 883 HA PRO 120 HA PRO 120 3.986 -17.985 -23.208 884 HB2 PRO 120 HB2 PRO 120 6.749 -18.559 -22.549 885 HB3 PRO 120 HB3 PRO 120 6.029 -17.014 -23.010 886 HG2 PRO 120 HG2 PRO 120 7.005 -17.537 -20.516 887 HG3 PRO 120 HG3 PRO 120 5.714 -16.370 -20.838 888 HD2 PRO 120 HD2 PRO 120 5.514 -19.182 -19.827 889 HD3 PRO 120 HD3 PRO 120 4.611 -17.735 -19.320 890 H LEU 121 H LEU 121 3.794 -19.536 -24.706 891 HA LEU 121 HA LEU 121 4.391 -22.286 -23.895 892 HG LEU 121 HG LEU 121 1.573 -20.964 -24.008 893 HB2 LEU 121 HB2 LEU 121 2.719 -21.212 -26.164 894 HB3 LEU 121 HB3 LEU 121 2.975 -22.914 -25.840 895 HD11 LEU 121 HD11 LEU 121 0.238 -21.482 -25.958 896 HD12 LEU 121 HD12 LEU 121 -0.425 -22.297 -24.541 897 HD13 LEU 121 HD13 LEU 121 0.516 -23.207 -25.722 898 HD21 LEU 121 HD21 LEU 121 1.008 -22.941 -22.679 899 HD22 LEU 121 HD22 LEU 121 2.752 -22.676 -22.745 900 HD23 LEU 121 HD23 LEU 121 2.013 -23.935 -23.734 901 HA PRO 122 HA PRO 122 7.795 -21.878 -26.806 902 HB2 PRO 122 HB2 PRO 122 9.533 -23.417 -25.486 903 HB3 PRO 122 HB3 PRO 122 9.111 -21.807 -24.891 904 HG2 PRO 122 HG2 PRO 122 8.259 -24.473 -23.896 905 HG3 PRO 122 HG3 PRO 122 8.506 -22.963 -23.006 906 HD2 PRO 122 HD2 PRO 122 6.038 -24.027 -23.924 907 HD3 PRO 122 HD3 PRO 122 6.315 -22.433 -23.198 908 H LEU 123 H LEU 123 5.541 -23.983 -26.692 909 HA LEU 123 HA LEU 123 6.793 -26.363 -27.703 910 HG LEU 123 HG LEU 123 3.856 -24.349 -26.941 911 HB2 LEU 123 HB2 LEU 123 4.389 -26.983 -28.268 912 HB3 LEU 123 HB3 LEU 123 4.780 -26.770 -26.574 913 HD11 LEU 123 HD11 LEU 123 3.623 -24.528 -29.372 914 HD12 LEU 123 HD12 LEU 123 2.075 -24.216 -28.585 915 HD13 LEU 123 HD13 LEU 123 2.462 -25.839 -29.157 916 HD21 LEU 123 HD21 LEU 123 1.642 -25.111 -26.300 917 HD22 LEU 123 HD22 LEU 123 2.888 -26.047 -25.471 918 HD23 LEU 123 HD23 LEU 123 2.030 -26.741 -26.848 919 H GLU 124 H GLU 124 6.705 -27.109 -29.878 920 HA GLU 124 HA GLU 124 6.251 -24.959 -31.818 921 HB2 GLU 124 HB2 GLU 124 8.446 -25.701 -32.921 922 HB3 GLU 124 HB3 GLU 124 8.539 -24.683 -31.495 923 HG2 GLU 124 HG2 GLU 124 10.214 -26.378 -31.341 924 HG3 GLU 124 HG3 GLU 124 8.976 -26.711 -30.135 925 H HIS 125 H HIS 125 6.409 -25.674 -34.057 926 HA HIS 125 HA HIS 125 6.368 -28.474 -34.659 927 HD1 HIS 125 HD1 HIS 125 2.423 -28.357 -33.049 928 HD2 HIS 125 HD2 HIS 125 5.132 -30.670 -35.194 929 HE1 HIS 125 HE1 HIS 125 2.051 -30.719 -32.286 930 HE2 HIS 125 HE2 HIS 125 3.856 -32.061 -33.425 931 HB2 HIS 125 HB2 HIS 125 3.835 -26.974 -34.535 932 HB3 HIS 125 HB3 HIS 125 4.097 -27.839 -36.046 933 H HIS 126 H HIS 126 8.269 -27.525 -35.649 934 HA HIS 126 HA HIS 126 7.904 -25.690 -37.828 935 HD1 HIS 126 HD1 HIS 126 11.612 -27.967 -38.860 936 HD2 HIS 126 HD2 HIS 126 10.358 -28.027 -34.894 937 HE1 HIS 126 HE1 HIS 126 12.794 -29.923 -37.801 938 HE2 HIS 126 HE2 HIS 126 11.918 -30.023 -35.439 939 HB2 HIS 126 HB2 HIS 126 10.300 -25.932 -38.233 940 HB3 HIS 126 HB3 HIS 126 9.990 -25.655 -36.525 941 H HIS 127 H HIS 127 7.089 -26.235 -39.691 942 HA HIS 127 HA HIS 127 7.199 -29.056 -40.509 943 HD1 HIS 127 HD1 HIS 127 4.867 -27.903 -43.815 944 HD2 HIS 127 HD2 HIS 127 4.574 -30.679 -40.736 945 HE1 HIS 127 HE1 HIS 127 3.861 -29.957 -44.853 946 HE2 HIS 127 HE2 HIS 127 3.437 -31.506 -42.907 947 HB2 HIS 127 HB2 HIS 127 4.961 -27.903 -40.145 948 HB3 HIS 127 HB3 HIS 127 5.336 -26.914 -41.551 949 H HIS 128 H HIS 128 8.090 -29.639 -42.435 950 HA HIS 128 HA HIS 128 9.781 -27.747 -43.762 951 HD1 HIS 128 HD1 HIS 128 10.241 -32.343 -43.349 952 HD2 HIS 128 HD2 HIS 128 11.941 -28.603 -42.737 953 HE1 HIS 128 HE1 HIS 128 12.059 -32.696 -41.649 954 HE2 HIS 128 HE2 HIS 128 13.223 -30.467 -41.488 955 HB2 HIS 128 HB2 HIS 128 9.025 -30.572 -44.549 956 HB3 HIS 128 HB3 HIS 128 10.290 -29.614 -45.312 957 H HIS 129 H HIS 129 9.418 -26.579 -45.517 958 HA HIS 129 HA HIS 129 6.711 -26.616 -46.618 959 HD1 HIS 129 HD1 HIS 129 5.644 -23.529 -45.916 960 HD2 HIS 129 HD2 HIS 129 9.378 -24.366 -44.291 961 HE1 HIS 129 HE1 HIS 129 5.611 -22.553 -43.601 962 HE2 HIS 129 HE2 HIS 129 7.800 -23.262 -42.567 963 HB2 HIS 129 HB2 HIS 129 8.967 -24.644 -47.101 964 HB3 HIS 129 HB3 HIS 129 7.294 -24.454 -47.615 965 H HIS 130 H HIS 130 10.072 -26.644 -47.718 966 HA HIS 130 HA HIS 130 9.829 -28.805 -49.418 967 HD1 HIS 130 HD1 HIS 130 7.894 -24.955 -50.606 968 HD2 HIS 130 HD2 HIS 130 11.803 -25.593 -51.869 969 HE1 HIS 130 HE1 HIS 130 8.791 -22.686 -51.202 970 HE2 HIS 130 HE2 HIS 130 11.051 -23.136 -52.207 971 HB2 HIS 130 HB2 HIS 130 9.955 -27.795 -51.655 972 HB3 HIS 130 HB3 HIS 130 8.437 -27.385 -50.870 Start of MODEL 7 1 HA MET 1 HA MET 1 -19.333 -9.301 4.590 2 H1 MET 1 H1 MET 1 -17.538 -8.084 5.634 3 H2 MET 1 H2 MET 1 -17.511 -6.986 4.346 4 H3 MET 1 H3 MET 1 -17.105 -8.606 4.082 5 HB2 MET 1 HB2 MET 1 -19.815 -7.502 6.206 6 HB3 MET 1 HB3 MET 1 -19.872 -6.339 4.889 7 HG2 MET 1 HG2 MET 1 -21.781 -7.575 3.929 8 HG3 MET 1 HG3 MET 1 -21.753 -8.645 5.329 9 HE1 MET 1 HE1 MET 1 -20.985 -6.531 7.645 10 HE2 MET 1 HE2 MET 1 -22.202 -7.794 7.839 11 HE3 MET 1 HE3 MET 1 -22.596 -6.123 8.239 12 H SER 2 H SER 2 -18.983 -9.996 2.481 13 HA SER 2 HA SER 2 -19.541 -10.203 0.302 14 HG SER 2 HG SER 2 -21.540 -10.370 1.437 15 HB2 SER 2 HB2 SER 2 -21.214 -7.715 0.694 16 HB3 SER 2 HB3 SER 2 -21.348 -8.871 -0.631 17 H GLN 3 H GLN 3 -19.544 -6.636 0.506 18 HA GLN 3 HA GLN 3 -17.786 -6.520 -1.810 19 HB2 GLN 3 HB2 GLN 3 -19.054 -4.298 -0.191 20 HB3 GLN 3 HB3 GLN 3 -18.192 -4.092 -1.709 21 HG2 GLN 3 HG2 GLN 3 -20.736 -5.653 -1.337 22 HG3 GLN 3 HG3 GLN 3 -20.613 -4.029 -2.008 23 HE21 GLN 3 HE21 GLN 3 -21.651 -6.490 -3.188 24 HE22 GLN 3 HE22 GLN 3 -20.733 -6.749 -4.636 25 H TRP 4 H TRP 4 -17.066 -7.311 1.049 26 HA TRP 4 HA TRP 4 -14.667 -5.627 1.297 27 HD1 TRP 4 HD1 TRP 4 -18.573 -5.536 2.816 28 HE1 TRP 4 HE1 TRP 4 -19.336 -3.080 3.000 29 HE3 TRP 4 HE3 TRP 4 -14.038 -3.369 3.654 30 HZ2 TRP 4 HZ2 TRP 4 -18.148 -0.551 3.458 31 HZ3 TRP 4 HZ3 TRP 4 -13.928 -0.927 3.964 32 HH2 TRP 4 HH2 TRP 4 -15.942 0.452 3.866 33 HB2 TRP 4 HB2 TRP 4 -16.271 -6.743 3.613 34 HB3 TRP 4 HB3 TRP 4 -14.840 -5.725 3.719 35 H THR 5 H THR 5 -12.842 -6.832 1.245 36 HA THR 5 HA THR 5 -13.145 -9.729 1.675 37 HB THR 5 HB THR 5 -10.840 -9.583 0.285 38 HG1 THR 5 HG1 THR 5 -12.486 -7.463 -0.674 39 HG21 THR 5 HG21 THR 5 -13.631 -9.643 -0.862 40 HG22 THR 5 HG22 THR 5 -12.717 -11.025 -0.257 41 HG23 THR 5 HG23 THR 5 -12.175 -10.172 -1.704 42 H THR 6 H THR 6 -11.866 -10.767 3.063 43 HA THR 6 HA THR 6 -10.448 -9.325 5.039 44 HB THR 6 HB THR 6 -10.284 -12.290 4.468 45 HG1 THR 6 HG1 THR 6 -12.479 -11.488 4.743 46 HG21 THR 6 HG21 THR 6 -9.810 -12.462 6.867 47 HG22 THR 6 HG22 THR 6 -9.865 -10.705 7.004 48 HG23 THR 6 HG23 THR 6 -8.605 -11.476 6.040 49 H VAL 7 H VAL 7 -8.534 -8.411 4.787 50 HA VAL 7 HA VAL 7 -6.715 -9.346 2.717 51 HB VAL 7 HB VAL 7 -6.432 -6.983 4.580 52 HG11 VAL 7 HG11 VAL 7 -4.308 -7.739 3.640 53 HG12 VAL 7 HG12 VAL 7 -4.787 -6.180 2.970 54 HG13 VAL 7 HG13 VAL 7 -4.992 -7.648 2.016 55 HG21 VAL 7 HG21 VAL 7 -8.415 -6.759 3.198 56 HG22 VAL 7 HG22 VAL 7 -7.469 -7.116 1.753 57 HG23 VAL 7 HG23 VAL 7 -7.163 -5.637 2.665 58 H CYS 8 H CYS 8 -5.955 -8.125 5.964 59 HA CYS 8 HA CYS 8 -4.427 -10.541 6.526 60 HG CYS 8 HG CYS 8 -3.294 -10.021 4.149 61 HB2 CYS 8 HB2 CYS 8 -3.206 -7.770 6.532 62 HB3 CYS 8 HB3 CYS 8 -2.411 -9.233 7.103 63 H LYS 9 H LYS 9 -3.276 -10.133 8.766 64 HA LYS 9 HA LYS 9 -5.440 -9.601 10.617 65 HB2 LYS 9 HB2 LYS 9 -2.607 -10.555 11.100 66 HB3 LYS 9 HB3 LYS 9 -3.895 -10.529 12.296 67 HG2 LYS 9 HG2 LYS 9 -5.098 -12.228 11.171 68 HG3 LYS 9 HG3 LYS 9 -4.069 -12.105 9.743 69 HD2 LYS 9 HD2 LYS 9 -3.073 -12.952 12.462 70 HD3 LYS 9 HD3 LYS 9 -3.598 -14.086 11.214 71 HE2 LYS 9 HE2 LYS 9 -1.886 -13.224 9.704 72 HE3 LYS 9 HE3 LYS 9 -1.372 -12.067 10.930 73 HZ1 LYS 9 HZ1 LYS 9 -0.716 -13.892 12.353 74 HZ2 LYS 9 HZ2 LYS 9 0.058 -14.030 10.849 75 HZ3 LYS 9 HZ3 LYS 9 -1.264 -15.028 11.215 76 H LEU 10 H LEU 10 -5.751 -7.642 11.469 77 HA LEU 10 HA LEU 10 -3.917 -5.496 11.164 78 HG LEU 10 HG LEU 10 -4.973 -3.827 13.665 79 HB2 LEU 10 HB2 LEU 10 -6.340 -5.150 11.318 80 HB3 LEU 10 HB3 LEU 10 -6.331 -5.751 12.964 81 HD11 LEU 10 HD11 LEU 10 -3.795 -3.425 11.566 82 HD12 LEU 10 HD12 LEU 10 -4.598 -1.963 12.137 83 HD13 LEU 10 HD13 LEU 10 -5.301 -2.898 10.816 84 HD21 LEU 10 HD21 LEU 10 -7.475 -3.085 12.155 85 HD22 LEU 10 HD22 LEU 10 -6.706 -2.113 13.408 86 HD23 LEU 10 HD23 LEU 10 -7.397 -3.684 13.812 87 H ASP 11 H ASP 11 -4.253 -7.962 13.473 88 HA ASP 11 HA ASP 11 -2.945 -6.571 15.646 89 HB2 ASP 11 HB2 ASP 11 -4.703 -8.278 16.057 90 HB3 ASP 11 HB3 ASP 11 -3.664 -9.499 15.332 91 H ASP 12 H ASP 12 -2.056 -8.169 12.857 92 HA ASP 12 HA ASP 12 0.581 -8.945 13.888 93 HB2 ASP 12 HB2 ASP 12 -0.649 -10.720 12.736 94 HB3 ASP 12 HB3 ASP 12 -0.824 -9.697 11.315 95 H ILE 13 H ILE 13 -1.093 -6.856 11.660 96 HA ILE 13 HA ILE 13 1.174 -6.026 10.145 97 HB ILE 13 HB ILE 13 -1.460 -4.611 10.611 98 HG12 ILE 13 HG12 ILE 13 -0.478 -6.276 8.282 99 HG13 ILE 13 HG13 ILE 13 -1.637 -6.808 9.495 100 HG21 ILE 13 HG21 ILE 13 0.643 -4.066 8.517 101 HG22 ILE 13 HG22 ILE 13 0.329 -3.063 9.935 102 HG23 ILE 13 HG23 ILE 13 -0.907 -3.240 8.689 103 HD11 ILE 13 HD11 ILE 13 -2.741 -6.151 7.436 104 HD12 ILE 13 HD12 ILE 13 -2.033 -4.542 7.555 105 HD13 ILE 13 HD13 ILE 13 -3.197 -5.085 8.762 106 H LEU 14 H LEU 14 2.804 -4.764 10.749 107 HA LEU 14 HA LEU 14 2.938 -3.618 13.336 108 HG LEU 14 HG LEU 14 4.944 -5.042 13.364 109 HB2 LEU 14 HB2 LEU 14 4.727 -3.303 10.927 110 HB3 LEU 14 HB3 LEU 14 5.081 -2.619 12.496 111 HD11 LEU 14 HD11 LEU 14 5.351 -5.570 10.429 112 HD12 LEU 14 HD12 LEU 14 3.950 -6.047 11.390 113 HD13 LEU 14 HD13 LEU 14 5.533 -6.751 11.726 114 HD21 LEU 14 HD21 LEU 14 7.288 -5.421 12.823 115 HD22 LEU 14 HD22 LEU 14 6.996 -3.729 13.236 116 HD23 LEU 14 HD23 LEU 14 7.196 -4.204 11.550 117 HA PRO 15 HA PRO 15 1.299 0.453 12.527 118 HB2 PRO 15 HB2 PRO 15 2.955 1.345 14.778 119 HB3 PRO 15 HB3 PRO 15 1.197 1.327 14.625 120 HG2 PRO 15 HG2 PRO 15 2.516 -0.352 16.273 121 HG3 PRO 15 HG3 PRO 15 1.016 -0.815 15.445 122 HD2 PRO 15 HD2 PRO 15 3.849 -1.508 14.769 123 HD3 PRO 15 HD3 PRO 15 2.394 -2.527 14.711 124 H GLY 16 H GLY 16 1.988 2.231 11.439 125 HA2 GLY 16 HA2 GLY 16 3.455 3.796 10.555 126 HA3 GLY 16 HA3 GLY 16 4.765 3.046 11.456 127 H THR 17 H THR 17 2.595 1.272 9.319 128 HA THR 17 HA THR 17 4.770 1.005 7.361 129 HB THR 17 HB THR 17 3.379 -1.486 8.326 130 HG1 THR 17 HG1 THR 17 4.677 -0.132 10.003 131 HG21 THR 17 HG21 THR 17 6.098 -1.005 7.095 132 HG22 THR 17 HG22 THR 17 4.674 -1.588 6.234 133 HG23 THR 17 HG23 THR 17 5.409 -2.576 7.499 134 H GLY 18 H GLY 18 3.862 -0.569 5.528 135 HA2 GLY 18 HA2 GLY 18 1.119 -0.762 5.038 136 HA3 GLY 18 HA3 GLY 18 1.680 0.752 4.338 137 H VAL 19 H VAL 19 1.054 -2.375 3.603 138 HA VAL 19 HA VAL 19 3.036 -2.377 1.438 139 HB VAL 19 HB VAL 19 3.185 -4.853 1.600 140 HG11 VAL 19 HG11 VAL 19 4.685 -4.910 3.522 141 HG12 VAL 19 HG12 VAL 19 4.034 -3.371 4.084 142 HG13 VAL 19 HG13 VAL 19 4.925 -3.450 2.563 143 HG21 VAL 19 HG21 VAL 19 1.093 -5.277 2.776 144 HG22 VAL 19 HG22 VAL 19 1.723 -4.468 4.211 145 HG23 VAL 19 HG23 VAL 19 2.458 -5.970 3.650 146 H CYS 20 H CYS 20 2.441 -3.513 -0.491 147 HA CYS 20 HA CYS 20 -0.372 -3.362 -1.064 148 HG CYS 20 HG CYS 20 2.719 -5.624 -2.997 149 HB2 CYS 20 HB2 CYS 20 0.442 -4.221 -3.328 150 HB3 CYS 20 HB3 CYS 20 1.055 -2.656 -2.805 151 H ALA 21 H ALA 21 -1.640 -4.921 -0.304 152 HA ALA 21 HA ALA 21 -0.704 -7.676 -0.213 153 HB1 ALA 21 HB1 ALA 21 -2.785 -8.147 0.935 154 HB2 ALA 21 HB2 ALA 21 -3.370 -6.520 0.595 155 HB3 ALA 21 HB3 ALA 21 -1.992 -6.752 1.670 156 H LEU 22 H LEU 22 -1.395 -9.280 -1.533 157 HA LEU 22 HA LEU 22 -2.658 -8.487 -4.004 158 HG LEU 22 HG LEU 22 -1.124 -11.414 -5.631 159 HB2 LEU 22 HB2 LEU 22 -0.678 -10.097 -3.736 160 HB3 LEU 22 HB3 LEU 22 -1.856 -11.279 -3.207 161 HD11 LEU 22 HD11 LEU 22 -3.117 -12.556 -4.857 162 HD12 LEU 22 HD12 LEU 22 -3.374 -11.892 -6.470 163 HD13 LEU 22 HD13 LEU 22 -4.065 -11.083 -5.062 164 HD21 LEU 22 HD21 LEU 22 -2.853 -8.955 -5.857 165 HD22 LEU 22 HD22 LEU 22 -2.196 -9.883 -7.203 166 HD23 LEU 22 HD23 LEU 22 -1.110 -9.025 -6.113 167 H VAL 23 H VAL 23 -4.784 -8.111 -3.734 168 HA VAL 23 HA VAL 23 -6.422 -10.157 -2.411 169 HB VAL 23 HB VAL 23 -7.259 -7.412 -3.375 170 HG11 VAL 23 HG11 VAL 23 -8.662 -9.403 -1.592 171 HG12 VAL 23 HG12 VAL 23 -9.110 -8.982 -3.244 172 HG13 VAL 23 HG13 VAL 23 -9.240 -7.777 -1.964 173 HG21 VAL 23 HG21 VAL 23 -7.229 -6.781 -0.981 174 HG22 VAL 23 HG22 VAL 23 -5.628 -7.167 -1.609 175 HG23 VAL 23 HG23 VAL 23 -6.488 -8.337 -0.606 176 H GLU 24 H GLU 24 -6.687 -11.742 -3.866 177 HA GLU 24 HA GLU 24 -7.402 -12.896 -5.663 178 HB2 GLU 24 HB2 GLU 24 -9.156 -10.569 -5.619 179 HB3 GLU 24 HB3 GLU 24 -8.969 -11.258 -7.226 180 HG2 GLU 24 HG2 GLU 24 -9.877 -12.706 -4.747 181 HG3 GLU 24 HG3 GLU 24 -10.878 -12.229 -6.119 182 H GLN 25 H GLN 25 -7.299 -9.683 -7.184 183 HA GLN 25 HA GLN 25 -4.959 -10.529 -8.713 184 HB2 GLN 25 HB2 GLN 25 -6.017 -9.867 -10.842 185 HB3 GLN 25 HB3 GLN 25 -6.819 -11.237 -10.088 186 HG2 GLN 25 HG2 GLN 25 -8.552 -9.712 -9.222 187 HG3 GLN 25 HG3 GLN 25 -7.766 -8.380 -10.069 188 HE21 GLN 25 HE21 GLN 25 -7.940 -11.597 -11.380 189 HE22 GLN 25 HE22 GLN 25 -9.055 -11.231 -12.648 190 H GLN 26 H GLN 26 -6.201 -8.320 -6.767 191 HA GLN 26 HA GLN 26 -5.034 -6.042 -8.224 192 HB2 GLN 26 HB2 GLN 26 -7.320 -6.176 -6.277 193 HB3 GLN 26 HB3 GLN 26 -6.467 -4.673 -6.587 194 HG2 GLN 26 HG2 GLN 26 -7.041 -4.868 -8.970 195 HG3 GLN 26 HG3 GLN 26 -7.938 -6.344 -8.611 196 HE21 GLN 26 HE21 GLN 26 -8.960 -5.372 -6.088 197 HE22 GLN 26 HE22 GLN 26 -10.189 -4.220 -6.475 198 H GLN 27 H GLN 27 -3.602 -4.718 -7.179 199 HA GLN 27 HA GLN 27 -2.685 -5.629 -4.536 200 HB2 GLN 27 HB2 GLN 27 -1.300 -3.862 -6.562 201 HB3 GLN 27 HB3 GLN 27 -0.640 -4.320 -5.002 202 HG2 GLN 27 HG2 GLN 27 -0.733 -6.699 -5.746 203 HG3 GLN 27 HG3 GLN 27 -1.192 -6.115 -7.347 204 HE21 GLN 27 HE21 GLN 27 1.347 -6.375 -5.011 205 HE22 GLN 27 HE22 GLN 27 2.639 -5.874 -6.047 206 H ILE 28 H ILE 28 -3.148 -4.409 -2.831 207 HA ILE 28 HA ILE 28 -3.598 -1.515 -3.214 208 HB ILE 28 HB ILE 28 -5.189 -3.275 -1.319 209 HG12 ILE 28 HG12 ILE 28 -7.100 -2.319 -2.882 210 HG13 ILE 28 HG13 ILE 28 -5.796 -2.239 -4.059 211 HG21 ILE 28 HG21 ILE 28 -5.419 -0.346 -1.982 212 HG22 ILE 28 HG22 ILE 28 -4.842 -1.041 -0.467 213 HG23 ILE 28 HG23 ILE 28 -6.526 -1.252 -0.950 214 HD11 ILE 28 HD11 ILE 28 -5.406 -4.627 -3.796 215 HD12 ILE 28 HD12 ILE 28 -7.070 -4.294 -4.277 216 HD13 ILE 28 HD13 ILE 28 -6.699 -4.711 -2.603 217 H ALA 29 H ALA 29 -2.468 -0.282 -1.856 218 HA ALA 29 HA ALA 29 -0.662 -1.581 -0.001 219 HB1 ALA 29 HB1 ALA 29 0.373 0.611 0.226 220 HB2 ALA 29 HB2 ALA 29 -0.935 1.340 -0.706 221 HB3 ALA 29 HB3 ALA 29 0.167 0.198 -1.477 222 H VAL 30 H VAL 30 -1.265 -1.983 2.002 223 HA VAL 30 HA VAL 30 -3.474 -0.418 3.144 224 HB VAL 30 HB VAL 30 -2.267 -2.994 4.184 225 HG11 VAL 30 HG11 VAL 30 -3.381 -1.665 5.903 226 HG12 VAL 30 HG12 VAL 30 -4.281 -3.138 5.547 227 HG13 VAL 30 HG13 VAL 30 -4.836 -1.590 4.908 228 HG21 VAL 30 HG21 VAL 30 -3.280 -3.351 2.001 229 HG22 VAL 30 HG22 VAL 30 -4.765 -2.569 2.548 230 HG23 VAL 30 HG23 VAL 30 -4.254 -4.095 3.269 231 H PHE 31 H PHE 31 -2.610 1.377 3.939 232 HA PHE 31 HA PHE 31 -0.162 1.468 5.428 233 HD1 PHE 31 HD1 PHE 31 1.144 4.147 5.642 234 HD2 PHE 31 HD2 PHE 31 -1.599 3.492 2.457 235 HE1 PHE 31 HE1 PHE 31 2.781 5.062 4.051 236 HE2 PHE 31 HE2 PHE 31 0.037 4.398 0.858 237 HZ PHE 31 HZ PHE 31 2.226 5.186 1.656 238 HB2 PHE 31 HB2 PHE 31 -2.324 3.406 4.725 239 HB3 PHE 31 HB3 PHE 31 -1.241 3.801 6.051 240 H ARG 32 H ARG 32 0.123 1.295 7.580 241 HA ARG 32 HA ARG 32 -2.212 1.885 9.253 242 HE ARG 32 HE ARG 32 -2.588 0.031 13.707 243 HB2 ARG 32 HB2 ARG 32 -1.467 -0.509 9.479 244 HB3 ARG 32 HB3 ARG 32 0.058 0.096 10.120 245 HG2 ARG 32 HG2 ARG 32 -1.196 1.242 11.916 246 HG3 ARG 32 HG3 ARG 32 -2.679 0.518 11.306 247 HD2 ARG 32 HD2 ARG 32 -1.775 -1.711 11.757 248 HD3 ARG 32 HD3 ARG 32 -0.285 -0.986 12.362 249 HH11 ARG 32 HH11 ARG 32 -0.398 -2.701 13.622 250 HH12 ARG 32 HH12 ARG 32 -0.670 -3.127 15.282 251 HH21 ARG 32 HH21 ARG 32 -2.961 -0.545 15.892 252 HH22 ARG 32 HH22 ARG 32 -2.107 -1.899 16.577 253 HA PRO 33 HA PRO 33 1.063 5.070 9.848 254 HB2 PRO 33 HB2 PRO 33 -1.158 6.960 9.878 255 HB3 PRO 33 HB3 PRO 33 0.226 6.894 8.787 256 HG2 PRO 33 HG2 PRO 33 -2.304 6.330 7.986 257 HG3 PRO 33 HG3 PRO 33 -0.875 5.570 7.261 258 HD2 PRO 33 HD2 PRO 33 -2.768 4.485 9.314 259 HD3 PRO 33 HD3 PRO 33 -2.035 3.671 7.913 260 H ARG 34 H ARG 34 -1.958 4.379 11.365 261 HA ARG 34 HA ARG 34 -1.227 5.801 13.803 262 HE ARG 34 HE ARG 34 -1.481 8.182 13.476 263 HB2 ARG 34 HB2 ARG 34 -3.743 4.404 12.899 264 HB3 ARG 34 HB3 ARG 34 -3.522 4.989 14.544 265 HG2 ARG 34 HG2 ARG 34 -3.249 6.785 12.151 266 HG3 ARG 34 HG3 ARG 34 -4.796 6.486 12.946 267 HD2 ARG 34 HD2 ARG 34 -3.878 8.503 13.841 268 HD3 ARG 34 HD3 ARG 34 -3.785 7.256 15.079 269 HH11 ARG 34 HH11 ARG 34 -2.820 6.783 16.409 270 HH12 ARG 34 HH12 ARG 34 -1.356 7.013 17.323 271 HH21 ARG 34 HH21 ARG 34 0.436 8.425 14.659 272 HH22 ARG 34 HH22 ARG 34 0.500 7.938 16.329 273 H ASN 35 H ASN 35 -0.645 4.802 15.643 274 HA ASN 35 HA ASN 35 -0.006 1.974 15.466 275 HB2 ASN 35 HB2 ASN 35 1.239 2.293 17.521 276 HB3 ASN 35 HB3 ASN 35 1.643 3.584 16.397 277 HD21 ASN 35 HD21 ASN 35 1.953 3.507 19.253 278 HD22 ASN 35 HD22 ASN 35 1.022 4.818 19.895 279 H ASP 36 H ASP 36 -2.754 3.310 15.855 280 HA ASP 36 HA ASP 36 -3.568 1.685 18.149 281 HB2 ASP 36 HB2 ASP 36 -5.594 3.204 18.246 282 HB3 ASP 36 HB3 ASP 36 -4.060 3.918 18.717 283 H GLU 37 H GLU 37 -5.812 3.042 15.793 284 HA GLU 37 HA GLU 37 -6.505 0.271 15.081 285 HB2 GLU 37 HB2 GLU 37 -8.332 2.632 15.518 286 HB3 GLU 37 HB3 GLU 37 -8.844 1.041 14.995 287 HG2 GLU 37 HG2 GLU 37 -8.072 0.082 17.093 288 HG3 GLU 37 HG3 GLU 37 -7.513 1.670 17.615 289 H GLN 38 H GLN 38 -6.779 3.638 13.943 290 HA GLN 38 HA GLN 38 -8.048 3.107 11.537 291 HB2 GLN 38 HB2 GLN 38 -7.807 5.341 12.603 292 HB3 GLN 38 HB3 GLN 38 -6.133 5.379 12.061 293 HG2 GLN 38 HG2 GLN 38 -7.491 6.668 10.559 294 HG3 GLN 38 HG3 GLN 38 -6.907 5.226 9.728 295 HE21 GLN 38 HE21 GLN 38 -8.538 5.216 8.211 296 HE22 GLN 38 HE22 GLN 38 -10.186 4.850 8.593 297 H VAL 39 H VAL 39 -7.494 2.364 9.635 298 HA VAL 39 HA VAL 39 -4.674 2.402 8.807 299 HB VAL 39 HB VAL 39 -5.070 0.275 7.573 300 HG11 VAL 39 HG11 VAL 39 -4.911 -1.198 9.516 301 HG12 VAL 39 HG12 VAL 39 -5.472 0.112 10.554 302 HG13 VAL 39 HG13 VAL 39 -3.927 0.251 9.716 303 HG21 VAL 39 HG21 VAL 39 -7.503 0.377 7.425 304 HG22 VAL 39 HG22 VAL 39 -7.625 0.174 9.174 305 HG23 VAL 39 HG23 VAL 39 -6.978 -1.130 8.174 306 H TYR 40 H TYR 40 -4.545 2.065 6.335 307 HA TYR 40 HA TYR 40 -6.841 3.187 4.918 308 HD1 TYR 40 HD1 TYR 40 -7.472 5.637 3.909 309 HD2 TYR 40 HD2 TYR 40 -4.669 5.822 7.106 310 HE1 TYR 40 HE1 TYR 40 -8.810 7.402 4.970 311 HE2 TYR 40 HE2 TYR 40 -6.002 7.592 8.176 312 HH TYR 40 HH TYR 40 -7.648 9.273 7.588 313 HB2 TYR 40 HB2 TYR 40 -4.180 4.526 5.202 314 HB3 TYR 40 HB3 TYR 40 -5.101 4.728 3.716 315 H ALA 41 H ALA 41 -7.182 1.721 3.381 316 HA ALA 41 HA ALA 41 -4.899 0.489 2.031 317 HB1 ALA 41 HB1 ALA 41 -6.657 -1.012 2.805 318 HB2 ALA 41 HB2 ALA 41 -6.557 -1.025 1.042 319 HB3 ALA 41 HB3 ALA 41 -7.846 -0.131 1.847 320 H ILE 42 H ILE 42 -4.116 1.790 0.472 321 HA ILE 42 HA ILE 42 -6.061 3.007 -1.381 322 HB ILE 42 HB ILE 42 -4.454 4.855 -1.743 323 HG12 ILE 42 HG12 ILE 42 -3.034 3.705 0.668 324 HG13 ILE 42 HG13 ILE 42 -2.422 3.679 -0.982 325 HG21 ILE 42 HG21 ILE 42 -6.349 5.137 -0.249 326 HG22 ILE 42 HG22 ILE 42 -4.952 6.041 0.335 327 HG23 ILE 42 HG23 ILE 42 -5.396 4.515 1.098 328 HD11 ILE 42 HD11 ILE 42 -2.302 6.098 -1.006 329 HD12 ILE 42 HD12 ILE 42 -1.395 5.446 0.359 330 HD13 ILE 42 HD13 ILE 42 -2.983 6.168 0.620 331 H SER 43 H SER 43 -5.191 3.464 -3.549 332 HA SER 43 HA SER 43 -3.904 1.124 -4.597 333 HG SER 43 HG SER 43 -6.551 2.126 -6.435 334 HB2 SER 43 HB2 SER 43 -4.527 3.654 -6.119 335 HB3 SER 43 HB3 SER 43 -4.462 2.002 -6.731 336 H ASN 44 H ASN 44 -2.038 2.141 -2.952 337 HA ASN 44 HA ASN 44 -0.363 4.024 -4.462 338 HB2 ASN 44 HB2 ASN 44 -0.977 4.477 -2.056 339 HB3 ASN 44 HB3 ASN 44 0.032 3.103 -1.612 340 HD21 ASN 44 HD21 ASN 44 1.373 4.472 -0.400 341 HD22 ASN 44 HD22 ASN 44 2.526 5.513 -1.159 342 H ILE 45 H ILE 45 -0.140 1.941 -5.831 343 HA ILE 45 HA ILE 45 2.321 0.561 -4.985 344 HB ILE 45 HB ILE 45 0.132 -0.539 -6.769 345 HG12 ILE 45 HG12 ILE 45 0.017 -2.249 -4.833 346 HG13 ILE 45 HG13 ILE 45 0.790 -1.000 -3.874 347 HG21 ILE 45 HG21 ILE 45 1.379 -2.648 -6.647 348 HG22 ILE 45 HG22 ILE 45 2.653 -1.831 -5.741 349 HG23 ILE 45 HG23 ILE 45 2.319 -1.363 -7.407 350 HD11 ILE 45 HD11 ILE 45 -1.611 -0.982 -3.574 351 HD12 ILE 45 HD12 ILE 45 -1.842 -0.772 -5.309 352 HD13 ILE 45 HD13 ILE 45 -1.074 0.502 -4.363 353 H ASP 46 H ASP 46 4.013 0.842 -6.311 354 HA ASP 46 HA ASP 46 3.625 2.245 -8.827 355 HB2 ASP 46 HB2 ASP 46 5.476 2.960 -7.397 356 HB3 ASP 46 HB3 ASP 46 6.163 1.339 -7.441 357 HA PRO 47 HA PRO 47 3.240 -1.570 -11.011 358 HB2 PRO 47 HB2 PRO 47 3.855 0.056 -13.398 359 HB3 PRO 47 HB3 PRO 47 2.414 -0.893 -13.020 360 HG2 PRO 47 HG2 PRO 47 2.366 1.777 -12.957 361 HG3 PRO 47 HG3 PRO 47 1.452 0.811 -11.784 362 HD2 PRO 47 HD2 PRO 47 4.070 2.227 -11.448 363 HD3 PRO 47 HD3 PRO 47 2.695 2.128 -10.328 364 H PHE 48 H PHE 48 6.086 0.439 -11.240 365 HA PHE 48 HA PHE 48 7.506 -1.427 -12.937 366 HD1 PHE 48 HD1 PHE 48 9.094 -0.359 -14.842 367 HD2 PHE 48 HD2 PHE 48 10.800 0.509 -11.041 368 HE1 PHE 48 HE1 PHE 48 11.330 -0.870 -15.731 369 HE2 PHE 48 HE2 PHE 48 13.038 -0.001 -11.924 370 HZ PHE 48 HZ PHE 48 13.307 -0.694 -14.271 371 HB2 PHE 48 HB2 PHE 48 7.910 1.021 -13.071 372 HB3 PHE 48 HB3 PHE 48 8.547 0.984 -11.430 373 H ALA 49 H ALA 49 6.987 -0.923 -9.589 374 HA ALA 49 HA ALA 49 9.199 -2.747 -8.910 375 HB1 ALA 49 HB1 ALA 49 9.033 -1.915 -6.648 376 HB2 ALA 49 HB2 ALA 49 7.611 -0.963 -7.067 377 HB3 ALA 49 HB3 ALA 49 9.180 -0.553 -7.760 378 H GLN 50 H GLN 50 5.839 -2.368 -9.140 379 HA GLN 50 HA GLN 50 4.053 -3.679 -8.762 380 HB2 GLN 50 HB2 GLN 50 5.887 -5.320 -9.839 381 HB3 GLN 50 HB3 GLN 50 5.691 -6.114 -8.284 382 HG2 GLN 50 HG2 GLN 50 4.241 -7.137 -9.890 383 HG3 GLN 50 HG3 GLN 50 3.271 -6.275 -8.698 384 HE21 GLN 50 HE21 GLN 50 2.051 -4.527 -9.330 385 HE22 GLN 50 HE22 GLN 50 1.847 -4.070 -10.987 386 H ALA 51 H ALA 51 5.436 -2.403 -6.581 387 HA ALA 51 HA ALA 51 4.253 -3.828 -4.336 388 HB1 ALA 51 HB1 ALA 51 6.279 -3.806 -3.003 389 HB2 ALA 51 HB2 ALA 51 7.187 -3.099 -4.338 390 HB3 ALA 51 HB3 ALA 51 6.549 -4.738 -4.478 391 H SER 52 H SER 52 4.387 -2.490 -2.364 392 HA SER 52 HA SER 52 3.634 0.204 -3.021 393 HG SER 52 HG SER 52 4.650 -1.713 -0.211 394 HB2 SER 52 HB2 SER 52 3.297 0.225 -0.446 395 HB3 SER 52 HB3 SER 52 2.249 -0.798 -1.435 396 H VAL 53 H VAL 53 6.117 0.236 -3.761 397 HA VAL 53 HA VAL 53 7.999 0.856 -1.685 398 HB VAL 53 HB VAL 53 9.474 1.634 -3.510 399 HG11 VAL 53 HG11 VAL 53 8.146 -1.028 -4.009 400 HG12 VAL 53 HG12 VAL 53 9.481 -0.711 -2.900 401 HG13 VAL 53 HG13 VAL 53 9.718 -0.535 -4.639 402 HG21 VAL 53 HG21 VAL 53 8.773 1.400 -5.840 403 HG22 VAL 53 HG22 VAL 53 7.768 2.572 -4.986 404 HG23 VAL 53 HG23 VAL 53 7.150 0.953 -5.312 405 H LEU 54 H LEU 54 5.467 2.508 -3.093 406 HA LEU 54 HA LEU 54 6.531 5.156 -2.484 407 HG LEU 54 HG LEU 54 5.415 3.700 -5.188 408 HB2 LEU 54 HB2 LEU 54 3.789 4.388 -3.497 409 HB3 LEU 54 HB3 LEU 54 4.484 5.998 -3.465 410 HD11 LEU 54 HD11 LEU 54 3.966 6.253 -5.872 411 HD12 LEU 54 HD12 LEU 54 3.296 4.622 -5.921 412 HD13 LEU 54 HD13 LEU 54 4.585 5.079 -7.034 413 HD21 LEU 54 HD21 LEU 54 7.275 5.134 -4.534 414 HD22 LEU 54 HD22 LEU 54 6.378 6.555 -5.071 415 HD23 LEU 54 HD23 LEU 54 6.883 5.337 -6.242 416 H SER 55 H SER 55 5.297 2.661 -0.844 417 HA SER 55 HA SER 55 3.667 4.279 0.993 418 HG SER 55 HG SER 55 2.911 1.101 2.267 419 HB2 SER 55 HB2 SER 55 2.313 2.562 0.012 420 HB3 SER 55 HB3 SER 55 3.556 1.343 0.275 421 H ARG 56 H ARG 56 5.920 1.520 0.895 422 HA ARG 56 HA ARG 56 6.398 1.705 3.739 423 HE ARG 56 HE ARG 56 8.171 -2.898 5.424 424 HB2 ARG 56 HB2 ARG 56 6.256 -0.475 2.437 425 HB3 ARG 56 HB3 ARG 56 7.820 -0.066 1.747 426 HG2 ARG 56 HG2 ARG 56 8.754 0.001 4.048 427 HG3 ARG 56 HG3 ARG 56 7.194 -0.561 4.652 428 HD2 ARG 56 HD2 ARG 56 7.414 -2.550 3.173 429 HD3 ARG 56 HD3 ARG 56 9.036 -2.004 2.753 430 HH11 ARG 56 HH11 ARG 56 10.689 -2.271 3.071 431 HH12 ARG 56 HH12 ARG 56 11.944 -2.991 4.038 432 HH21 ARG 56 HH21 ARG 56 9.806 -3.837 6.703 433 HH22 ARG 56 HH22 ARG 56 11.443 -3.886 6.105 434 H GLY 57 H GLY 57 7.052 4.016 3.008 435 HA2 GLY 57 HA2 GLY 57 10.003 4.023 2.956 436 HA3 GLY 57 HA3 GLY 57 9.076 5.173 2.003 437 H ILE 58 H ILE 58 8.035 6.888 3.023 438 HA ILE 58 HA ILE 58 8.555 7.192 5.903 439 HB ILE 58 HB ILE 58 8.770 9.410 3.851 440 HG12 ILE 58 HG12 ILE 58 10.976 8.057 5.424 441 HG13 ILE 58 HG13 ILE 58 10.664 7.815 3.708 442 HG21 ILE 58 HG21 ILE 58 9.331 9.393 6.812 443 HG22 ILE 58 HG22 ILE 58 7.980 10.192 6.008 444 HG23 ILE 58 HG23 ILE 58 9.630 10.746 5.719 445 HD11 ILE 58 HD11 ILE 58 12.515 9.344 4.056 446 HD12 ILE 58 HD12 ILE 58 11.481 10.405 5.011 447 HD13 ILE 58 HD13 ILE 58 11.158 10.173 3.292 448 H VAL 59 H VAL 59 6.859 7.831 7.073 449 HA VAL 59 HA VAL 59 4.543 8.945 5.652 450 HB VAL 59 HB VAL 59 4.065 6.614 6.203 451 HG11 VAL 59 HG11 VAL 59 4.608 7.398 9.060 452 HG12 VAL 59 HG12 VAL 59 5.524 6.254 8.080 453 HG13 VAL 59 HG13 VAL 59 3.867 5.878 8.555 454 HG21 VAL 59 HG21 VAL 59 2.231 8.191 6.221 455 HG22 VAL 59 HG22 VAL 59 2.542 8.569 7.915 456 HG23 VAL 59 HG23 VAL 59 1.978 6.960 7.459 457 H ALA 60 H ALA 60 3.985 10.872 6.403 458 HA ALA 60 HA ALA 60 4.302 11.602 9.167 459 HB1 ALA 60 HB1 ALA 60 6.059 12.933 7.111 460 HB2 ALA 60 HB2 ALA 60 6.606 11.831 8.374 461 HB3 ALA 60 HB3 ALA 60 5.910 13.391 8.807 462 H GLU 61 H GLU 61 3.612 13.826 9.572 463 HA GLU 61 HA GLU 61 1.430 14.537 7.820 464 HB2 GLU 61 HB2 GLU 61 0.861 16.125 9.618 465 HB3 GLU 61 HB3 GLU 61 0.991 14.479 10.199 466 HG2 GLU 61 HG2 GLU 61 3.233 16.461 10.428 467 HG3 GLU 61 HG3 GLU 61 1.973 16.302 11.646 468 H HIS 62 H HIS 62 1.114 16.751 7.143 469 HA HIS 62 HA HIS 62 3.613 18.262 6.843 470 HD2 HIS 62 HD2 HIS 62 1.543 20.065 3.285 471 HE1 HIS 62 HE1 HIS 62 5.720 20.716 3.140 472 HE2 HIS 62 HE2 HIS 62 3.475 21.399 2.179 473 HB2 HIS 62 HB2 HIS 62 3.222 17.002 4.761 474 HB3 HIS 62 HB3 HIS 62 1.626 17.727 4.622 475 H GLN 63 H GLN 63 3.064 19.747 8.297 476 HA GLN 63 HA GLN 63 2.345 21.781 8.962 477 HB2 GLN 63 HB2 GLN 63 2.264 22.424 6.596 478 HB3 GLN 63 HB3 GLN 63 0.630 21.787 6.476 479 HG2 GLN 63 HG2 GLN 63 -0.197 23.449 7.980 480 HG3 GLN 63 HG3 GLN 63 1.437 24.012 8.328 481 HE21 GLN 63 HE21 GLN 63 -0.845 25.483 7.298 482 HE22 GLN 63 HE22 GLN 63 -0.339 26.145 5.776 483 H ASP 64 H ASP 64 -0.413 19.968 7.610 484 HA ASP 64 HA ASP 64 -1.673 19.982 10.227 485 HB2 ASP 64 HB2 ASP 64 -2.325 22.128 8.965 486 HB3 ASP 64 HB3 ASP 64 -3.253 21.071 7.905 487 H ASP 65 H ASP 65 -1.736 19.049 6.840 488 HA ASP 65 HA ASP 65 -3.669 16.938 7.338 489 HB2 ASP 65 HB2 ASP 65 -2.406 18.112 4.903 490 HB3 ASP 65 HB3 ASP 65 -3.046 16.475 4.809 491 H LEU 66 H LEU 66 -3.176 14.778 6.310 492 HA LEU 66 HA LEU 66 -0.507 13.886 7.171 493 HG LEU 66 HG LEU 66 -3.161 13.785 8.875 494 HB2 LEU 66 HB2 LEU 66 -3.066 12.297 6.901 495 HB3 LEU 66 HB3 LEU 66 -1.529 11.671 7.465 496 HD11 LEU 66 HD11 LEU 66 -3.630 12.042 10.513 497 HD12 LEU 66 HD12 LEU 66 -2.761 10.869 9.526 498 HD13 LEU 66 HD13 LEU 66 -4.248 11.599 8.922 499 HD21 LEU 66 HD21 LEU 66 -1.604 13.437 10.716 500 HD22 LEU 66 HD22 LEU 66 -0.759 13.993 9.271 501 HD23 LEU 66 HD23 LEU 66 -0.686 12.293 9.736 502 H TRP 67 H TRP 67 0.840 13.158 5.642 503 HA TRP 67 HA TRP 67 -0.296 12.284 3.071 504 HD1 TRP 67 HD1 TRP 67 0.523 15.638 4.984 505 HE1 TRP 67 HE1 TRP 67 -0.837 17.680 4.242 506 HE3 TRP 67 HE3 TRP 67 0.129 14.617 -0.038 507 HZ2 TRP 67 HZ2 TRP 67 -1.944 18.719 1.884 508 HZ3 TRP 67 HZ3 TRP 67 -1.111 16.197 -1.446 509 HH2 TRP 67 HH2 TRP 67 -2.125 18.205 -0.508 510 HB2 TRP 67 HB2 TRP 67 2.186 14.007 3.299 511 HB3 TRP 67 HB3 TRP 67 1.359 13.525 1.826 512 H VAL 68 H VAL 68 1.546 11.194 1.745 513 HA VAL 68 HA VAL 68 3.383 9.801 3.579 514 HB VAL 68 HB VAL 68 1.678 8.274 2.644 515 HG11 VAL 68 HG11 VAL 68 1.274 9.407 0.525 516 HG12 VAL 68 HG12 VAL 68 1.687 7.710 0.275 517 HG13 VAL 68 HG13 VAL 68 2.891 8.963 -0.026 518 HG21 VAL 68 HG21 VAL 68 3.845 7.376 3.228 519 HG22 VAL 68 HG22 VAL 68 4.480 7.803 1.640 520 HG23 VAL 68 HG23 VAL 68 3.229 6.569 1.786 521 H ALA 69 H ALA 69 5.510 9.513 2.910 522 HA ALA 69 HA ALA 69 6.300 11.197 0.626 523 HB1 ALA 69 HB1 ALA 69 8.453 11.478 1.747 524 HB2 ALA 69 HB2 ALA 69 7.904 10.454 3.072 525 HB3 ALA 69 HB3 ALA 69 7.126 12.010 2.778 526 H SER 70 H SER 70 6.468 9.865 -1.057 527 HA SER 70 HA SER 70 7.469 7.196 -0.878 528 HG SER 70 HG SER 70 5.305 7.699 -1.696 529 HB2 SER 70 HB2 SER 70 7.142 8.947 -3.325 530 HB3 SER 70 HB3 SER 70 7.265 7.188 -3.296 531 HA PRO 71 HA PRO 71 11.772 8.331 -0.679 532 HB2 PRO 71 HB2 PRO 71 12.771 5.855 -1.350 533 HB3 PRO 71 HB3 PRO 71 12.234 6.309 0.273 534 HG2 PRO 71 HG2 PRO 71 10.763 4.812 -1.864 535 HG3 PRO 71 HG3 PRO 71 10.840 4.482 -0.124 536 HD2 PRO 71 HD2 PRO 71 8.713 5.679 -1.214 537 HD3 PRO 71 HD3 PRO 71 9.317 6.169 0.385 538 H LEU 72 H LEU 72 10.400 6.667 -3.461 539 HA LEU 72 HA LEU 72 12.684 7.331 -5.125 540 HG LEU 72 HG LEU 72 11.526 4.557 -4.278 541 HB2 LEU 72 HB2 LEU 72 10.115 5.895 -5.784 542 HB3 LEU 72 HB3 LEU 72 11.471 6.093 -6.878 543 HD11 LEU 72 HD11 LEU 72 10.211 3.446 -6.005 544 HD12 LEU 72 HD12 LEU 72 11.726 2.590 -5.708 545 HD13 LEU 72 HD13 LEU 72 11.554 3.608 -7.139 546 HD21 LEU 72 HD21 LEU 72 13.684 5.571 -4.789 547 HD22 LEU 72 HD22 LEU 72 13.628 4.894 -6.416 548 HD23 LEU 72 HD23 LEU 72 13.744 3.824 -5.019 549 H LYS 73 H LYS 73 9.159 7.785 -5.453 550 HA LYS 73 HA LYS 73 9.457 9.700 -7.535 551 HB2 LYS 73 HB2 LYS 73 7.086 8.849 -5.880 552 HB3 LYS 73 HB3 LYS 73 6.970 10.032 -7.175 553 HG2 LYS 73 HG2 LYS 73 7.954 7.210 -7.534 554 HG3 LYS 73 HG3 LYS 73 6.298 7.737 -7.827 555 HD2 LYS 73 HD2 LYS 73 7.175 9.364 -9.496 556 HD3 LYS 73 HD3 LYS 73 8.781 8.672 -9.261 557 HE2 LYS 73 HE2 LYS 73 7.991 6.510 -10.025 558 HE3 LYS 73 HE3 LYS 73 6.353 7.142 -10.188 559 HZ1 LYS 73 HZ1 LYS 73 7.365 7.108 -12.330 560 HZ2 LYS 73 HZ2 LYS 73 8.737 7.933 -11.771 561 HZ3 LYS 73 HZ3 LYS 73 7.243 8.731 -11.848 562 H LYS 74 H LYS 74 9.268 9.925 -4.089 563 HA LYS 74 HA LYS 74 9.287 11.619 -2.606 564 HB2 LYS 74 HB2 LYS 74 10.289 13.163 -4.993 565 HB3 LYS 74 HB3 LYS 74 10.177 13.850 -3.378 566 HG2 LYS 74 HG2 LYS 74 11.642 11.944 -2.605 567 HG3 LYS 74 HG3 LYS 74 11.915 11.588 -4.312 568 HD2 LYS 74 HD2 LYS 74 12.808 13.823 -4.651 569 HD3 LYS 74 HD3 LYS 74 12.484 14.226 -2.965 570 HE2 LYS 74 HE2 LYS 74 14.001 12.342 -2.319 571 HE3 LYS 74 HE3 LYS 74 14.428 12.187 -4.022 572 HZ1 LYS 74 HZ1 LYS 74 16.055 13.522 -2.907 573 HZ2 LYS 74 HZ2 LYS 74 14.863 14.563 -2.301 574 HZ3 LYS 74 HZ3 LYS 74 15.179 14.516 -3.966 575 H GLN 75 H GLN 75 6.966 11.175 -4.572 576 HA GLN 75 HA GLN 75 5.557 13.678 -4.446 577 HB2 GLN 75 HB2 GLN 75 4.689 10.887 -5.228 578 HB3 GLN 75 HB3 GLN 75 3.620 12.282 -5.265 579 HG2 GLN 75 HG2 GLN 75 5.002 13.355 -6.924 580 HG3 GLN 75 HG3 GLN 75 6.181 12.047 -6.827 581 HE21 GLN 75 HE21 GLN 75 5.945 11.647 -9.053 582 HE22 GLN 75 HE22 GLN 75 4.556 10.831 -9.680 583 H HIS 76 H HIS 76 3.922 14.222 -3.036 584 HA HIS 76 HA HIS 76 3.760 12.553 -0.624 585 HD1 HIS 76 HD1 HIS 76 5.622 16.500 -0.810 586 HD2 HIS 76 HD2 HIS 76 5.041 13.286 1.766 587 HE1 HIS 76 HE1 HIS 76 7.709 16.355 0.572 588 HE2 HIS 76 HE2 HIS 76 7.210 14.598 2.305 589 HB2 HIS 76 HB2 HIS 76 3.370 15.509 -1.058 590 HB3 HIS 76 HB3 HIS 76 2.772 14.705 0.389 591 H PHE 77 H PHE 77 2.134 11.152 -1.111 592 HA PHE 77 HA PHE 77 -0.352 12.087 -2.258 593 HD1 PHE 77 HD1 PHE 77 2.518 9.143 -2.001 594 HD2 PHE 77 HD2 PHE 77 -0.835 9.984 -4.481 595 HE1 PHE 77 HE1 PHE 77 3.827 8.500 -3.981 596 HE2 PHE 77 HE2 PHE 77 0.473 9.345 -6.467 597 HZ PHE 77 HZ PHE 77 2.805 8.603 -6.217 598 HB2 PHE 77 HB2 PHE 77 0.282 9.375 -1.069 599 HB3 PHE 77 HB3 PHE 77 -1.088 9.774 -2.096 600 H ARG 78 H ARG 78 -1.924 13.013 -1.051 601 HA ARG 78 HA ARG 78 -1.889 12.858 1.803 602 HE ARG 78 HE ARG 78 -5.646 15.779 0.229 603 HB2 ARG 78 HB2 ARG 78 -2.856 14.767 0.413 604 HB3 ARG 78 HB3 ARG 78 -4.249 13.729 0.132 605 HG2 ARG 78 HG2 ARG 78 -4.845 13.730 2.406 606 HG3 ARG 78 HG3 ARG 78 -3.280 14.378 2.896 607 HD2 ARG 78 HD2 ARG 78 -4.890 16.137 3.057 608 HD3 ARG 78 HD3 ARG 78 -3.844 16.482 1.683 609 HH11 ARG 78 HH11 ARG 78 -6.448 16.481 3.582 610 HH12 ARG 78 HH12 ARG 78 -8.156 16.643 3.257 611 HH21 ARG 78 HH21 ARG 78 -7.894 16.051 -0.169 612 HH22 ARG 78 HH22 ARG 78 -8.963 16.408 1.151 613 H LEU 79 H LEU 79 -2.895 11.458 3.129 614 HA LEU 79 HA LEU 79 -3.474 8.932 1.938 615 HG LEU 79 HG LEU 79 -1.315 10.008 3.916 616 HB2 LEU 79 HB2 LEU 79 -3.606 9.784 4.827 617 HB3 LEU 79 HB3 LEU 79 -3.660 8.129 4.251 618 HD11 LEU 79 HD11 LEU 79 -0.209 8.565 5.555 619 HD12 LEU 79 HD12 LEU 79 -1.709 7.662 5.770 620 HD13 LEU 79 HD13 LEU 79 -1.627 9.359 6.240 621 HD21 LEU 79 HD21 LEU 79 -1.614 7.074 3.279 622 HD22 LEU 79 HD22 LEU 79 -0.125 8.010 3.160 623 HD23 LEU 79 HD23 LEU 79 -1.488 8.384 2.106 624 H TYR 80 H TYR 80 -5.388 9.955 0.793 625 HA TYR 80 HA TYR 80 -7.632 8.530 1.384 626 HD1 TYR 80 HD2 TYR 80 -9.894 8.183 2.337 627 HD2 TYR 80 HD1 TYR 80 -9.856 12.414 1.878 628 HE1 TYR 80 HE2 TYR 80 -12.307 8.150 1.856 629 HE2 TYR 80 HE1 TYR 80 -12.265 12.388 1.393 630 HH TYR 80 HH TYR 80 -13.959 10.899 0.617 631 HB2 TYR 80 HB2 TYR 80 -8.050 9.850 3.379 632 HB3 TYR 80 HB3 TYR 80 -7.895 11.350 2.469 633 H ASP 81 H ASP 81 -6.777 11.819 0.373 634 HA ASP 81 HA ASP 81 -8.771 11.887 -1.663 635 HB2 ASP 81 HB2 ASP 81 -8.008 13.928 -0.562 636 HB3 ASP 81 HB3 ASP 81 -6.388 13.690 -1.214 637 H GLY 82 H GLY 82 -5.239 11.462 -1.707 638 HA2 GLY 82 HA2 GLY 82 -4.291 9.831 -3.204 639 HA3 GLY 82 HA3 GLY 82 -5.574 10.197 -4.346 640 H PHE 83 H PHE 83 -4.975 13.159 -3.551 641 HA PHE 83 HA PHE 83 -3.424 13.774 -5.814 642 HD1 PHE 83 HD2 PHE 83 -3.810 15.521 -7.137 643 HD2 PHE 83 HD1 PHE 83 -2.862 17.592 -3.544 644 HE1 PHE 83 HE2 PHE 83 -2.824 17.346 -8.459 645 HE2 PHE 83 HE1 PHE 83 -1.875 19.424 -4.858 646 HZ PHE 83 HZ PHE 83 -1.855 19.302 -7.316 647 HB2 PHE 83 HB2 PHE 83 -5.069 15.301 -4.670 648 HB3 PHE 83 HB3 PHE 83 -3.872 15.550 -3.406 649 H CYS 84 H CYS 84 -1.290 14.200 -6.085 650 HA CYS 84 HA CYS 84 0.451 13.029 -4.072 651 HG CYS 84 HG CYS 84 -0.592 11.246 -6.275 652 HB2 CYS 84 HB2 CYS 84 1.379 13.999 -6.750 653 HB3 CYS 84 HB3 CYS 84 1.931 12.615 -5.813 654 H LEU 85 H LEU 85 -0.669 15.783 -3.824 655 HA LEU 85 HA LEU 85 -0.131 17.904 -3.291 656 HG LEU 85 HG LEU 85 2.725 19.160 -2.582 657 HB2 LEU 85 HB2 LEU 85 1.230 16.719 -1.611 658 HB3 LEU 85 HB3 LEU 85 2.593 16.744 -2.714 659 HD11 LEU 85 HD11 LEU 85 0.346 18.999 -0.736 660 HD12 LEU 85 HD12 LEU 85 0.329 19.632 -2.383 661 HD13 LEU 85 HD13 LEU 85 1.263 20.454 -1.130 662 HD21 LEU 85 HD21 LEU 85 3.895 17.884 -0.869 663 HD22 LEU 85 HD22 LEU 85 2.454 17.912 0.149 664 HD23 LEU 85 HD23 LEU 85 3.305 19.412 -0.219 665 H GLU 86 H GLU 86 2.995 16.908 -4.711 666 HA GLU 86 HA GLU 86 3.132 19.400 -6.167 667 HB2 GLU 86 HB2 GLU 86 4.999 17.037 -6.377 668 HB3 GLU 86 HB3 GLU 86 5.329 18.698 -6.841 669 HG2 GLU 86 HG2 GLU 86 4.960 17.648 -4.049 670 HG3 GLU 86 HG3 GLU 86 6.470 18.162 -4.797 671 H ASP 87 H ASP 87 2.904 15.958 -6.952 672 HA ASP 87 HA ASP 87 2.626 16.654 -9.794 673 HB2 ASP 87 HB2 ASP 87 4.456 15.036 -8.780 674 HB3 ASP 87 HB3 ASP 87 3.146 13.864 -8.831 675 H GLY 88 H GLY 88 1.443 14.592 -10.874 676 HA2 GLY 88 HA2 GLY 88 -0.886 13.729 -9.364 677 HA3 GLY 88 HA3 GLY 88 -1.217 14.792 -10.728 678 H ALA 89 H ALA 89 1.401 12.510 -10.621 679 HA ALA 89 HA ALA 89 0.561 11.276 -13.066 680 HB1 ALA 89 HB1 ALA 89 2.924 11.656 -12.599 681 HB2 ALA 89 HB2 ALA 89 2.599 9.939 -12.838 682 HB3 ALA 89 HB3 ALA 89 2.833 10.574 -11.209 683 H TYR 90 H TYR 90 0.925 10.187 -9.709 684 HA TYR 90 HA TYR 90 -0.623 7.800 -10.389 685 HD1 TYR 90 HD1 TYR 90 0.339 5.546 -10.312 686 HD2 TYR 90 HD2 TYR 90 3.376 8.055 -8.702 687 HE1 TYR 90 HE1 TYR 90 2.048 4.212 -11.472 688 HE2 TYR 90 HE2 TYR 90 5.092 6.733 -9.867 689 HH TYR 90 HH TYR 90 5.307 4.351 -10.746 690 HB2 TYR 90 HB2 TYR 90 1.187 8.403 -8.052 691 HB3 TYR 90 HB3 TYR 90 0.108 7.014 -8.080 692 H SER 91 H SER 91 -2.527 9.135 -10.517 693 HA SER 91 HA SER 91 -3.626 10.288 -8.154 694 HG SER 91 HG SER 91 -4.349 11.092 -11.602 695 HB2 SER 91 HB2 SER 91 -5.080 9.371 -10.650 696 HB3 SER 91 HB3 SER 91 -5.680 10.510 -9.445 697 H VAL 92 H VAL 92 -3.346 8.657 -6.604 698 HA VAL 92 HA VAL 92 -4.397 6.023 -7.032 699 HB VAL 92 HB VAL 92 -3.625 5.528 -4.779 700 HG11 VAL 92 HG11 VAL 92 -1.630 7.184 -6.320 701 HG12 VAL 92 HG12 VAL 92 -2.009 5.485 -6.605 702 HG13 VAL 92 HG13 VAL 92 -1.247 5.976 -5.093 703 HG21 VAL 92 HG21 VAL 92 -2.982 8.470 -4.571 704 HG22 VAL 92 HG22 VAL 92 -2.536 7.232 -3.397 705 HG23 VAL 92 HG23 VAL 92 -4.236 7.614 -3.674 706 H ALA 93 H ALA 93 -6.070 5.011 -5.915 707 HA ALA 93 HA ALA 93 -8.158 6.817 -4.957 708 HB1 ALA 93 HB1 ALA 93 -9.671 4.920 -5.275 709 HB2 ALA 93 HB2 ALA 93 -8.302 3.904 -5.729 710 HB3 ALA 93 HB3 ALA 93 -8.763 5.268 -6.746 711 H ALA 94 H ALA 94 -9.492 5.968 -3.121 712 HA ALA 94 HA ALA 94 -7.776 4.670 -1.123 713 HB1 ALA 94 HB1 ALA 94 -8.803 6.075 0.595 714 HB2 ALA 94 HB2 ALA 94 -9.734 6.915 -0.645 715 HB3 ALA 94 HB3 ALA 94 -7.976 7.048 -0.623 716 H TYR 95 H TYR 95 -8.578 2.695 -0.972 717 HA TYR 95 HA TYR 95 -11.425 2.211 -1.142 718 HD1 TYR 95 HD2 TYR 95 -11.971 0.031 -2.995 719 HD2 TYR 95 HD1 TYR 95 -7.831 0.963 -2.652 720 HE1 TYR 95 HE2 TYR 95 -11.755 -0.063 -5.441 721 HE2 TYR 95 HE1 TYR 95 -7.605 0.875 -5.101 722 HH TYR 95 HH TYR 95 -10.341 0.719 -7.195 723 HB2 TYR 95 HB2 TYR 95 -9.095 0.330 -0.710 724 HB3 TYR 95 HB3 TYR 95 -10.775 -0.184 -0.845 725 H ASP 96 H ASP 96 -12.760 1.959 0.505 726 HA ASP 96 HA ASP 96 -11.982 2.701 3.113 727 HB2 ASP 96 HB2 ASP 96 -14.532 1.400 2.136 728 HB3 ASP 96 HB3 ASP 96 -14.310 2.081 3.742 729 H THR 97 H THR 97 -12.098 1.453 5.056 730 HA THR 97 HA THR 97 -11.735 -1.449 4.691 731 HB THR 97 HB THR 97 -9.930 -1.322 6.451 732 HG1 THR 97 HG1 THR 97 -10.657 1.012 6.898 733 HG21 THR 97 HG21 THR 97 -9.358 -1.606 4.089 734 HG22 THR 97 HG22 THR 97 -8.166 -0.595 4.907 735 HG23 THR 97 HG23 THR 97 -9.385 0.143 3.869 736 H GLN 98 H GLN 98 -12.842 -2.653 6.147 737 HA GLN 98 HA GLN 98 -13.749 -1.302 8.606 738 HB2 GLN 98 HB2 GLN 98 -15.621 -2.844 8.720 739 HB3 GLN 98 HB3 GLN 98 -15.634 -1.998 7.183 740 HG2 GLN 98 HG2 GLN 98 -14.905 -3.912 6.013 741 HG3 GLN 98 HG3 GLN 98 -14.469 -4.744 7.505 742 HE21 GLN 98 HE21 GLN 98 -16.883 -3.910 8.899 743 HE22 GLN 98 HE22 GLN 98 -18.170 -4.859 8.246 744 H VAL 99 H VAL 99 -13.645 -2.458 10.552 745 HA VAL 99 HA VAL 99 -11.666 -4.625 10.529 746 HB VAL 99 HB VAL 99 -12.579 -2.991 12.908 747 HG11 VAL 99 HG11 VAL 99 -11.652 -5.174 13.482 748 HG12 VAL 99 HG12 VAL 99 -10.571 -3.873 13.983 749 HG13 VAL 99 HG13 VAL 99 -10.205 -4.814 12.536 750 HG21 VAL 99 HG21 VAL 99 -11.490 -1.543 11.273 751 HG22 VAL 99 HG22 VAL 99 -10.113 -2.642 11.202 752 HG23 VAL 99 HG23 VAL 99 -10.466 -1.769 12.691 753 H THR 100 H THR 100 -12.867 -6.423 10.165 754 HA THR 100 HA THR 100 -15.423 -6.888 11.257 755 HB THR 100 HB THR 100 -13.485 -8.970 10.262 756 HG1 THR 100 HG1 THR 100 -15.442 -7.808 8.611 757 HG21 THR 100 HG21 THR 100 -16.506 -8.895 10.320 758 HG22 THR 100 HG22 THR 100 -15.480 -9.863 11.377 759 HG23 THR 100 HG23 THR 100 -15.519 -10.191 9.644 760 H ASN 101 H ASN 101 -12.404 -8.577 11.951 761 HA ASN 101 HA ASN 101 -12.582 -8.350 14.748 762 HB2 ASN 101 HB2 ASN 101 -14.490 -9.934 14.412 763 HB3 ASN 101 HB3 ASN 101 -13.364 -11.082 13.696 764 HD21 ASN 101 HD21 ASN 101 -14.362 -9.483 16.616 765 HD22 ASN 101 HD22 ASN 101 -13.533 -10.535 17.718 766 H GLY 102 H GLY 102 -10.424 -7.922 14.660 767 HA2 GLY 102 HA2 GLY 102 -8.203 -8.554 14.875 768 HA3 GLY 102 HA3 GLY 102 -8.651 -10.187 14.408 769 H ASN 103 H ASN 103 -9.889 -9.589 11.971 770 HA ASN 103 HA ASN 103 -7.526 -8.926 10.356 771 HB2 ASN 103 HB2 ASN 103 -9.995 -10.528 9.639 772 HB3 ASN 103 HB3 ASN 103 -8.656 -10.199 8.545 773 HD21 ASN 103 HD21 ASN 103 -9.681 -12.747 9.469 774 HD22 ASN 103 HD22 ASN 103 -8.361 -13.549 10.247 775 H VAL 104 H VAL 104 -7.750 -7.648 8.479 776 HA VAL 104 HA VAL 104 -9.899 -5.656 8.705 777 HB VAL 104 HB VAL 104 -7.296 -5.469 7.173 778 HG11 VAL 104 HG11 VAL 104 -9.017 -4.036 6.238 779 HG12 VAL 104 HG12 VAL 104 -7.798 -3.065 7.064 780 HG13 VAL 104 HG13 VAL 104 -9.356 -3.366 7.834 781 HG21 VAL 104 HG21 VAL 104 -6.896 -5.595 9.571 782 HG22 VAL 104 HG22 VAL 104 -8.045 -4.284 9.841 783 HG23 VAL 104 HG23 VAL 104 -6.547 -3.979 8.958 784 H GLN 105 H GLN 105 -11.349 -5.332 7.102 785 HA GLN 105 HA GLN 105 -10.931 -6.781 4.569 786 HB2 GLN 105 HB2 GLN 105 -13.508 -6.204 6.036 787 HB3 GLN 105 HB3 GLN 105 -13.444 -6.789 4.378 788 HG2 GLN 105 HG2 GLN 105 -12.184 -8.775 5.207 789 HG3 GLN 105 HG3 GLN 105 -12.476 -8.209 6.851 790 HE21 GLN 105 HE21 GLN 105 -13.638 -10.099 7.324 791 HE22 GLN 105 HE22 GLN 105 -15.248 -10.350 6.739 792 H ILE 106 H ILE 106 -10.822 -5.561 2.793 793 HA ILE 106 HA ILE 106 -11.481 -2.721 3.053 794 HB ILE 106 HB ILE 106 -9.989 -2.198 1.342 795 HG12 ILE 106 HG12 ILE 106 -10.760 -3.903 -0.296 796 HG13 ILE 106 HG13 ILE 106 -9.011 -3.736 -0.253 797 HG21 ILE 106 HG21 ILE 106 -8.761 -4.533 2.792 798 HG22 ILE 106 HG22 ILE 106 -8.840 -2.869 3.368 799 HG23 ILE 106 HG23 ILE 106 -7.873 -3.266 1.947 800 HD11 ILE 106 HD11 ILE 106 -9.688 -6.054 -0.457 801 HD12 ILE 106 HD12 ILE 106 -10.607 -5.930 1.043 802 HD13 ILE 106 HD13 ILE 106 -8.850 -5.774 1.069 803 H SER 107 H SER 107 -12.562 -1.623 1.356 804 HA SER 107 HA SER 107 -14.770 -3.110 0.290 805 HG SER 107 HG SER 107 -15.372 -0.649 -1.697 806 HB2 SER 107 HB2 SER 107 -15.089 -0.823 1.106 807 HB3 SER 107 HB3 SER 107 -13.948 -0.216 -0.093 808 H ILE 108 H ILE 108 -14.834 -4.113 -1.605 809 HA ILE 108 HA ILE 108 -12.955 -3.257 -3.702 810 HB ILE 108 HB ILE 108 -13.246 -5.605 -4.619 811 HG12 ILE 108 HG12 ILE 108 -14.182 -6.204 -1.805 812 HG13 ILE 108 HG13 ILE 108 -15.251 -6.141 -3.202 813 HG21 ILE 108 HG21 ILE 108 -11.870 -5.244 -1.964 814 HG22 ILE 108 HG22 ILE 108 -11.200 -4.861 -3.549 815 HG23 ILE 108 HG23 ILE 108 -11.541 -6.538 -3.117 816 HD11 ILE 108 HD11 ILE 108 -14.006 -7.977 -4.227 817 HD12 ILE 108 HD12 ILE 108 -14.670 -8.423 -2.654 818 HD13 ILE 108 HD13 ILE 108 -12.956 -8.044 -2.811 819 H ALA 109 H ALA 109 -14.687 -1.683 -4.204 820 HA ALA 109 HA ALA 109 -16.996 -2.824 -5.570 821 HB1 ALA 109 HB1 ALA 109 -17.318 -0.870 -4.111 822 HB2 ALA 109 HB2 ALA 109 -17.781 -0.529 -5.778 823 HB3 ALA 109 HB3 ALA 109 -16.246 0.067 -5.149 824 H ASP 110 H ASP 110 -14.140 -2.960 -6.456 825 HA ASP 110 HA ASP 110 -14.638 -2.577 -9.258 826 HB2 ASP 110 HB2 ASP 110 -13.807 -0.306 -8.438 827 HB3 ASP 110 HB3 ASP 110 -12.276 -1.095 -8.077 828 H SER 111 H SER 111 -13.037 -3.699 -10.538 829 HA SER 111 HA SER 111 -11.237 -5.420 -8.993 830 HG SER 111 HG SER 111 -11.153 -7.598 -10.688 831 HB2 SER 111 HB2 SER 111 -13.407 -6.600 -9.290 832 HB3 SER 111 HB3 SER 111 -13.224 -6.451 -11.035 833 H ASP 112 H ASP 112 -11.115 -3.139 -11.014 834 HA ASP 112 HA ASP 112 -10.029 -2.506 -12.913 835 HB2 ASP 112 HB2 ASP 112 -8.096 -3.273 -11.539 836 HB3 ASP 112 HB3 ASP 112 -8.229 -4.862 -12.283 837 H VAL 113 H VAL 113 -11.670 -2.943 -14.371 838 HA VAL 113 HA VAL 113 -12.380 -5.562 -15.129 839 HB VAL 113 HB VAL 113 -13.847 -4.431 -16.776 840 HG11 VAL 113 HG11 VAL 113 -14.657 -4.869 -14.545 841 HG12 VAL 113 HG12 VAL 113 -15.263 -3.306 -15.096 842 HG13 VAL 113 HG13 VAL 113 -13.916 -3.379 -13.959 843 HG21 VAL 113 HG21 VAL 113 -14.028 -1.994 -16.739 844 HG22 VAL 113 HG22 VAL 113 -12.439 -2.514 -17.299 845 HG23 VAL 113 HG23 VAL 113 -12.641 -1.915 -15.653 846 H ALA 114 H ALA 114 -11.792 -6.792 -16.743 847 HA ALA 114 HA ALA 114 -10.584 -5.720 -19.151 848 HB1 ALA 114 HB1 ALA 114 -8.646 -7.216 -19.050 849 HB2 ALA 114 HB2 ALA 114 -9.149 -7.775 -17.454 850 HB3 ALA 114 HB3 ALA 114 -8.644 -6.101 -17.683 851 H VAL 115 H VAL 115 -9.970 -7.951 -20.494 852 HA VAL 115 HA VAL 115 -12.514 -9.275 -20.724 853 HB VAL 115 HB VAL 115 -11.371 -8.686 -22.718 854 HG11 VAL 115 HG11 VAL 115 -9.277 -9.728 -23.449 855 HG12 VAL 115 HG12 VAL 115 -9.156 -10.549 -21.892 856 HG13 VAL 115 HG13 VAL 115 -9.065 -8.790 -21.970 857 HG21 VAL 115 HG21 VAL 115 -11.493 -11.666 -22.373 858 HG22 VAL 115 HG22 VAL 115 -11.406 -10.839 -23.927 859 HG23 VAL 115 HG23 VAL 115 -12.804 -10.599 -22.879 860 H ASP 116 H ASP 116 -12.385 -10.021 -18.586 861 HA ASP 116 HA ASP 116 -12.134 -11.550 -16.920 862 HB2 ASP 116 HB2 ASP 116 -13.191 -12.937 -18.783 863 HB3 ASP 116 HB3 ASP 116 -11.578 -13.560 -19.105 864 H ASN 117 H ASN 117 -10.380 -13.911 -16.882 865 HA ASN 117 HA ASN 117 -7.709 -13.054 -17.400 866 HB2 ASN 117 HB2 ASN 117 -6.925 -12.652 -15.177 867 HB3 ASN 117 HB3 ASN 117 -8.341 -11.631 -15.403 868 HD21 ASN 117 HD21 ASN 117 -10.311 -12.256 -14.393 869 HD22 ASN 117 HD22 ASN 117 -10.305 -13.288 -13.002 870 H SER 118 H SER 118 -6.115 -14.577 -16.370 871 HA SER 118 HA SER 118 -7.330 -17.237 -16.014 872 HG SER 118 HG SER 118 -6.171 -18.991 -17.447 873 HB2 SER 118 HB2 SER 118 -5.981 -16.894 -18.144 874 HB3 SER 118 HB3 SER 118 -4.565 -16.680 -17.117 875 H GLN 119 H GLN 119 -7.467 -16.693 -13.766 876 HA GLN 119 HA GLN 119 -5.285 -15.963 -12.157 877 HB2 GLN 119 HB2 GLN 119 -7.652 -15.785 -11.456 878 HB3 GLN 119 HB3 GLN 119 -7.754 -17.539 -11.388 879 HG2 GLN 119 HG2 GLN 119 -7.461 -16.868 -9.173 880 HG3 GLN 119 HG3 GLN 119 -5.874 -17.432 -9.689 881 HE21 GLN 119 HE21 GLN 119 -7.781 -14.703 -8.737 882 HE22 GLN 119 HE22 GLN 119 -6.464 -13.587 -8.581 883 HA PRO 120 HA PRO 120 -3.369 -20.050 -11.998 884 HB2 PRO 120 HB2 PRO 120 -0.951 -18.869 -11.113 885 HB3 PRO 120 HB3 PRO 120 -1.332 -19.394 -12.751 886 HG2 PRO 120 HG2 PRO 120 -0.929 -16.752 -11.920 887 HG3 PRO 120 HG3 PRO 120 -1.651 -17.267 -13.452 888 HD2 PRO 120 HD2 PRO 120 -2.972 -16.322 -10.954 889 HD3 PRO 120 HD3 PRO 120 -3.468 -16.108 -12.647 890 H LEU 121 H LEU 121 -4.191 -21.039 -10.231 891 HA LEU 121 HA LEU 121 -4.348 -19.788 -7.685 892 HG LEU 121 HG LEU 121 -7.216 -22.103 -7.877 893 HB2 LEU 121 HB2 LEU 121 -4.860 -22.619 -8.580 894 HB3 LEU 121 HB3 LEU 121 -5.064 -22.104 -6.918 895 HD11 LEU 121 HD11 LEU 121 -6.748 -20.158 -6.494 896 HD12 LEU 121 HD12 LEU 121 -7.902 -19.772 -7.768 897 HD13 LEU 121 HD13 LEU 121 -6.222 -19.261 -7.917 898 HD21 LEU 121 HD21 LEU 121 -7.806 -20.964 -9.944 899 HD22 LEU 121 HD22 LEU 121 -6.568 -22.186 -10.228 900 HD23 LEU 121 HD23 LEU 121 -6.125 -20.481 -10.170 901 HA PRO 122 HA PRO 122 -0.225 -21.163 -6.575 902 HB2 PRO 122 HB2 PRO 122 0.320 -19.166 -4.870 903 HB3 PRO 122 HB3 PRO 122 0.318 -18.912 -6.619 904 HG2 PRO 122 HG2 PRO 122 -1.668 -18.076 -4.586 905 HG3 PRO 122 HG3 PRO 122 -1.257 -17.326 -6.134 906 HD2 PRO 122 HD2 PRO 122 -3.464 -19.028 -5.576 907 HD3 PRO 122 HD3 PRO 122 -2.961 -18.403 -7.158 908 H LEU 123 H LEU 123 0.566 -22.319 -4.837 909 HA LEU 123 HA LEU 123 -1.341 -22.818 -2.702 910 HG LEU 123 HG LEU 123 1.972 -23.638 -4.143 911 HB2 LEU 123 HB2 LEU 123 0.089 -24.699 -2.089 912 HB3 LEU 123 HB3 LEU 123 -0.406 -24.769 -3.766 913 HD11 LEU 123 HD11 LEU 123 3.621 -24.593 -2.589 914 HD12 LEU 123 HD12 LEU 123 2.303 -25.177 -1.570 915 HD13 LEU 123 HD13 LEU 123 2.544 -23.445 -1.792 916 HD21 LEU 123 HD21 LEU 123 1.529 -26.568 -3.590 917 HD22 LEU 123 HD22 LEU 123 2.872 -25.885 -4.510 918 HD23 LEU 123 HD23 LEU 123 1.221 -25.737 -5.115 919 H GLU 124 H GLU 124 -1.075 -22.256 -0.650 920 HA GLU 124 HA GLU 124 1.197 -20.522 0.008 921 HB2 GLU 124 HB2 GLU 124 -1.516 -20.205 0.366 922 HB3 GLU 124 HB3 GLU 124 -1.016 -20.807 1.938 923 HG2 GLU 124 HG2 GLU 124 0.201 -18.417 0.573 924 HG3 GLU 124 HG3 GLU 124 -1.103 -18.331 1.752 925 H HIS 125 H HIS 125 1.782 -20.752 2.479 926 HA HIS 125 HA HIS 125 2.498 -23.472 3.026 927 HD1 HIS 125 HD1 HIS 125 3.666 -19.252 3.843 928 HD2 HIS 125 HD2 HIS 125 5.516 -22.908 3.123 929 HE1 HIS 125 HE1 HIS 125 5.810 -18.705 2.647 930 HE2 HIS 125 HE2 HIS 125 6.992 -20.912 2.380 931 HB2 HIS 125 HB2 HIS 125 2.494 -21.133 4.952 932 HB3 HIS 125 HB3 HIS 125 3.385 -22.640 5.128 933 H HIS 126 H HIS 126 0.411 -24.425 2.835 934 HA HIS 126 HA HIS 126 -1.774 -23.499 4.429 935 HD1 HIS 126 HD1 HIS 126 -4.221 -23.940 1.785 936 HD2 HIS 126 HD2 HIS 126 -3.806 -26.510 5.032 937 HE1 HIS 126 HE1 HIS 126 -6.559 -24.385 2.608 938 HE2 HIS 126 HE2 HIS 126 -6.265 -25.767 4.695 939 HB2 HIS 126 HB2 HIS 126 -1.880 -24.618 2.122 940 HB3 HIS 126 HB3 HIS 126 -1.654 -26.138 2.980 941 H HIS 127 H HIS 127 -1.306 -23.678 6.553 942 HA HIS 127 HA HIS 127 -0.404 -26.213 7.629 943 HD1 HIS 127 HD1 HIS 127 0.599 -22.047 7.984 944 HD2 HIS 127 HD2 HIS 127 -2.887 -23.122 9.988 945 HE1 HIS 127 HE1 HIS 127 -0.673 -19.905 8.337 946 HE2 HIS 127 HE2 HIS 127 -2.813 -20.580 9.481 947 HB2 HIS 127 HB2 HIS 127 -0.633 -24.945 9.858 948 HB3 HIS 127 HB3 HIS 127 0.624 -24.437 8.742 949 H HIS 128 H HIS 128 -2.149 -27.535 7.082 950 HA HIS 128 HA HIS 128 -4.669 -26.983 8.466 951 HD1 HIS 128 HD1 HIS 128 -7.303 -27.396 6.830 952 HD2 HIS 128 HD2 HIS 128 -5.620 -31.111 7.647 953 HE1 HIS 128 HE1 HIS 128 -9.231 -28.902 7.413 954 HE2 HIS 128 HE2 HIS 128 -8.171 -31.087 8.093 955 HB2 HIS 128 HB2 HIS 128 -4.823 -27.638 6.085 956 HB3 HIS 128 HB3 HIS 128 -4.011 -29.154 6.460 957 H HIS 129 H HIS 129 -4.046 -27.411 10.560 958 HA HIS 129 HA HIS 129 -3.050 -30.091 11.176 959 HD1 HIS 129 HD1 HIS 129 -2.738 -28.442 15.452 960 HD2 HIS 129 HD2 HIS 129 -1.341 -31.072 12.548 961 HE1 HIS 129 HE1 HIS 129 -1.467 -30.220 16.701 962 HE2 HIS 129 HE2 HIS 129 -0.755 -31.877 14.941 963 HB2 HIS 129 HB2 HIS 129 -2.134 -27.918 12.223 964 HB3 HIS 129 HB3 HIS 129 -3.614 -27.898 13.172 965 H HIS 130 H HIS 130 -5.679 -27.891 12.086 966 HA HIS 130 HA HIS 130 -7.679 -29.830 11.709 967 HD1 HIS 130 HD1 HIS 130 -8.823 -28.095 15.576 968 HD2 HIS 130 HD2 HIS 130 -4.878 -29.378 15.270 969 HE1 HIS 130 HE1 HIS 130 -7.583 -26.930 17.433 970 HE2 HIS 130 HE2 HIS 130 -5.204 -27.739 17.250 971 HB2 HIS 130 HB2 HIS 130 -8.492 -30.102 14.014 972 HB3 HIS 130 HB3 HIS 130 -6.867 -30.753 13.842 Start of MODEL 8 1 HA MET 1 HA MET 1 -23.694 -4.903 4.984 2 H1 MET 1 H1 MET 1 -26.241 -6.035 3.989 3 H2 MET 1 H2 MET 1 -25.864 -4.384 4.098 4 H3 MET 1 H3 MET 1 -25.983 -5.318 5.508 5 HB2 MET 1 HB2 MET 1 -24.346 -7.091 5.978 6 HB3 MET 1 HB3 MET 1 -24.450 -7.769 4.358 7 HG2 MET 1 HG2 MET 1 -22.081 -7.379 4.016 8 HG3 MET 1 HG3 MET 1 -21.958 -6.622 5.602 9 HE1 MET 1 HE1 MET 1 -20.020 -9.958 6.169 10 HE2 MET 1 HE2 MET 1 -19.993 -8.206 6.373 11 HE3 MET 1 HE3 MET 1 -20.004 -8.905 4.754 12 H SER 2 H SER 2 -22.292 -4.339 3.486 13 HA SER 2 HA SER 2 -23.004 -4.691 0.687 14 HG SER 2 HG SER 2 -21.730 -2.251 -0.434 15 HB2 SER 2 HB2 SER 2 -22.297 -2.468 1.575 16 HB3 SER 2 HB3 SER 2 -20.712 -3.142 1.937 17 H GLN 3 H GLN 3 -20.632 -4.721 -0.578 18 HA GLN 3 HA GLN 3 -19.762 -7.460 -0.184 19 HB2 GLN 3 HB2 GLN 3 -18.899 -5.420 -2.249 20 HB3 GLN 3 HB3 GLN 3 -18.549 -7.143 -2.286 21 HG2 GLN 3 HG2 GLN 3 -20.876 -7.659 -2.592 22 HG3 GLN 3 HG3 GLN 3 -21.315 -5.964 -2.386 23 HE21 GLN 3 HE21 GLN 3 -19.015 -5.027 -3.929 24 HE22 GLN 3 HE22 GLN 3 -19.390 -5.341 -5.590 25 H TRP 4 H TRP 4 -18.358 -7.711 1.461 26 HA TRP 4 HA TRP 4 -16.045 -5.886 1.555 27 HD1 TRP 4 HD1 TRP 4 -19.589 -6.221 3.912 28 HE1 TRP 4 HE1 TRP 4 -20.239 -3.783 4.431 29 HE3 TRP 4 HE3 TRP 4 -14.957 -4.062 3.612 30 HZ2 TRP 4 HZ2 TRP 4 -18.955 -1.284 4.671 31 HZ3 TRP 4 HZ3 TRP 4 -14.758 -1.642 3.997 32 HH2 TRP 4 HH2 TRP 4 -16.719 -0.282 4.516 33 HB2 TRP 4 HB2 TRP 4 -17.297 -7.494 3.792 34 HB3 TRP 4 HB3 TRP 4 -15.822 -6.542 3.941 35 H THR 5 H THR 5 -14.045 -6.731 1.419 36 HA THR 5 HA THR 5 -13.842 -9.668 1.292 37 HB THR 5 HB THR 5 -12.164 -7.651 -0.221 38 HG1 THR 5 HG1 THR 5 -14.460 -9.157 -0.884 39 HG21 THR 5 HG21 THR 5 -12.300 -10.662 -0.450 40 HG22 THR 5 HG22 THR 5 -10.988 -9.756 0.302 41 HG23 THR 5 HG23 THR 5 -11.303 -9.584 -1.426 42 H THR 6 H THR 6 -12.487 -10.600 2.678 43 HA THR 6 HA THR 6 -11.100 -8.997 4.616 44 HB THR 6 HB THR 6 -10.911 -11.991 4.287 45 HG1 THR 6 HG1 THR 6 -12.932 -10.504 5.672 46 HG21 THR 6 HG21 THR 6 -10.605 -11.950 6.717 47 HG22 THR 6 HG22 THR 6 -10.750 -10.193 6.709 48 HG23 THR 6 HG23 THR 6 -9.385 -10.967 5.907 49 H VAL 7 H VAL 7 -9.157 -8.111 4.160 50 HA VAL 7 HA VAL 7 -7.397 -9.307 2.201 51 HB VAL 7 HB VAL 7 -6.857 -6.952 4.022 52 HG11 VAL 7 HG11 VAL 7 -4.838 -7.943 3.070 53 HG12 VAL 7 HG12 VAL 7 -5.151 -6.350 2.380 54 HG13 VAL 7 HG13 VAL 7 -5.524 -7.804 1.453 55 HG21 VAL 7 HG21 VAL 7 -7.938 -6.983 1.205 56 HG22 VAL 7 HG22 VAL 7 -7.478 -5.543 2.115 57 HG23 VAL 7 HG23 VAL 7 -8.831 -6.536 2.659 58 H CYS 8 H CYS 8 -6.608 -8.108 5.430 59 HA CYS 8 HA CYS 8 -5.515 -10.699 6.193 60 HG CYS 8 HG CYS 8 -1.935 -9.283 4.604 61 HB2 CYS 8 HB2 CYS 8 -3.897 -8.135 6.251 62 HB3 CYS 8 HB3 CYS 8 -3.388 -9.672 6.941 63 H LYS 9 H LYS 9 -4.836 -10.595 8.585 64 HA LYS 9 HA LYS 9 -6.907 -9.101 9.994 65 HB2 LYS 9 HB2 LYS 9 -5.035 -11.304 10.867 66 HB3 LYS 9 HB3 LYS 9 -6.121 -10.470 11.971 67 HG2 LYS 9 HG2 LYS 9 -8.042 -11.219 10.700 68 HG3 LYS 9 HG3 LYS 9 -6.982 -11.993 9.524 69 HD2 LYS 9 HD2 LYS 9 -6.846 -12.743 12.421 70 HD3 LYS 9 HD3 LYS 9 -8.086 -13.430 11.371 71 HE2 LYS 9 HE2 LYS 9 -6.273 -14.959 11.394 72 HE3 LYS 9 HE3 LYS 9 -6.248 -14.154 9.830 73 HZ1 LYS 9 HZ1 LYS 9 -4.526 -13.421 12.137 74 HZ2 LYS 9 HZ2 LYS 9 -4.443 -12.768 10.569 75 HZ3 LYS 9 HZ3 LYS 9 -4.041 -14.392 10.838 76 H LEU 10 H LEU 10 -6.288 -8.135 12.139 77 HA LEU 10 HA LEU 10 -4.294 -6.140 11.693 78 HG LEU 10 HG LEU 10 -4.017 -4.821 14.272 79 HB2 LEU 10 HB2 LEU 10 -6.502 -6.000 13.024 80 HB3 LEU 10 HB3 LEU 10 -5.601 -6.732 14.337 81 HD11 LEU 10 HD11 LEU 10 -4.359 -4.207 11.923 82 HD12 LEU 10 HD12 LEU 10 -4.597 -2.834 13.003 83 HD13 LEU 10 HD13 LEU 10 -5.991 -3.663 12.311 84 HD21 LEU 10 HD21 LEU 10 -5.874 -4.818 15.844 85 HD22 LEU 10 HD22 LEU 10 -6.921 -4.094 14.624 86 HD23 LEU 10 HD23 LEU 10 -5.551 -3.184 15.260 87 H ASP 11 H ASP 11 -4.125 -9.274 12.725 88 HA ASP 11 HA ASP 11 -1.838 -8.958 14.501 89 HB2 ASP 11 HB2 ASP 11 -3.550 -10.604 15.095 90 HB3 ASP 11 HB3 ASP 11 -3.349 -11.405 13.544 91 H ASP 12 H ASP 12 -2.587 -9.525 11.219 92 HA ASP 12 HA ASP 12 -0.116 -10.889 10.581 93 HB2 ASP 12 HB2 ASP 12 -2.338 -9.804 8.842 94 HB3 ASP 12 HB3 ASP 12 -0.903 -10.599 8.203 95 H ILE 13 H ILE 13 -1.341 -7.671 10.680 96 HA ILE 13 HA ILE 13 0.799 -6.634 8.984 97 HB ILE 13 HB ILE 13 -1.325 -5.033 10.412 98 HG12 ILE 13 HG12 ILE 13 -1.453 -6.133 7.595 99 HG13 ILE 13 HG13 ILE 13 -2.305 -6.838 8.964 100 HG21 ILE 13 HG21 ILE 13 0.579 -3.763 9.560 101 HG22 ILE 13 HG22 ILE 13 -0.882 -3.397 8.643 102 HG23 ILE 13 HG23 ILE 13 0.344 -4.464 7.959 103 HD11 ILE 13 HD11 ILE 13 -3.780 -5.448 7.642 104 HD12 ILE 13 HD12 ILE 13 -2.705 -4.067 7.864 105 HD13 ILE 13 HD13 ILE 13 -3.553 -4.756 9.248 106 H LEU 14 H LEU 14 2.522 -5.458 9.725 107 HA LEU 14 HA LEU 14 3.026 -5.596 12.584 108 HG LEU 14 HG LEU 14 4.453 -7.427 11.695 109 HB2 LEU 14 HB2 LEU 14 4.828 -4.818 10.287 110 HB3 LEU 14 HB3 LEU 14 5.328 -4.974 11.954 111 HD11 LEU 14 HD11 LEU 14 4.773 -8.325 9.456 112 HD12 LEU 14 HD12 LEU 14 5.080 -6.704 8.835 113 HD13 LEU 14 HD13 LEU 14 3.488 -7.120 9.471 114 HD21 LEU 14 HD21 LEU 14 6.758 -6.794 12.168 115 HD22 LEU 14 HD22 LEU 14 7.032 -6.482 10.453 116 HD23 LEU 14 HD23 LEU 14 6.688 -8.121 11.009 117 HA PRO 15 HA PRO 15 2.426 -1.223 13.299 118 HB2 PRO 15 HB2 PRO 15 4.681 -1.408 15.188 119 HB3 PRO 15 HB3 PRO 15 2.999 -0.959 15.490 120 HG2 PRO 15 HG2 PRO 15 4.005 -3.305 16.320 121 HG3 PRO 15 HG3 PRO 15 2.327 -3.154 15.766 122 HD2 PRO 15 HD2 PRO 15 4.709 -4.250 14.329 123 HD3 PRO 15 HD3 PRO 15 3.034 -4.838 14.345 124 H GLY 16 H GLY 16 3.127 0.248 11.906 125 HA2 GLY 16 HA2 GLY 16 4.613 1.826 11.059 126 HA3 GLY 16 HA3 GLY 16 5.932 0.980 11.854 127 H THR 17 H THR 17 3.504 -0.148 9.482 128 HA THR 17 HA THR 17 5.677 -0.577 7.565 129 HB THR 17 HB THR 17 4.913 -2.878 7.057 130 HG1 THR 17 HG1 THR 17 3.382 -2.584 9.452 131 HG21 THR 17 HG21 THR 17 5.940 -3.986 8.986 132 HG22 THR 17 HG22 THR 17 5.813 -2.490 9.910 133 HG23 THR 17 HG23 THR 17 6.857 -2.563 8.492 134 H GLY 18 H GLY 18 4.710 -1.509 5.478 135 HA2 GLY 18 HA2 GLY 18 1.929 -1.024 4.962 136 HA3 GLY 18 HA3 GLY 18 2.985 0.189 4.241 137 H VAL 19 H VAL 19 1.527 -2.780 3.729 138 HA VAL 19 HA VAL 19 3.536 -3.469 1.700 139 HB VAL 19 HB VAL 19 3.022 -5.882 2.089 140 HG11 VAL 19 HG11 VAL 19 5.043 -4.884 2.994 141 HG12 VAL 19 HG12 VAL 19 4.392 -6.076 4.120 142 HG13 VAL 19 HG13 VAL 19 4.161 -4.355 4.427 143 HG21 VAL 19 HG21 VAL 19 1.995 -6.514 4.235 144 HG22 VAL 19 HG22 VAL 19 0.867 -5.649 3.192 145 HG23 VAL 19 HG23 VAL 19 1.630 -4.816 4.547 146 H CYS 20 H CYS 20 2.861 -3.901 -0.296 147 HA CYS 20 HA CYS 20 0.067 -3.686 -0.927 148 HG CYS 20 HG CYS 20 3.143 -5.773 -2.760 149 HB2 CYS 20 HB2 CYS 20 0.905 -4.130 -3.271 150 HB3 CYS 20 HB3 CYS 20 1.610 -2.723 -2.479 151 H ALA 21 H ALA 21 -1.156 -5.367 -0.324 152 HA ALA 21 HA ALA 21 -0.186 -8.092 -0.661 153 HB1 ALA 21 HB1 ALA 21 -2.242 -8.739 0.490 154 HB2 ALA 21 HB2 ALA 21 -2.791 -7.063 0.462 155 HB3 ALA 21 HB3 ALA 21 -1.366 -7.506 1.400 156 H LEU 22 H LEU 22 -1.164 -9.610 -2.001 157 HA LEU 22 HA LEU 22 -2.501 -8.499 -4.324 158 HG LEU 22 HG LEU 22 -1.296 -11.409 -6.290 159 HB2 LEU 22 HB2 LEU 22 -0.605 -10.262 -4.315 160 HB3 LEU 22 HB3 LEU 22 -1.854 -11.402 -3.865 161 HD11 LEU 22 HD11 LEU 22 -3.472 -12.209 -5.554 162 HD12 LEU 22 HD12 LEU 22 -3.584 -11.406 -7.121 163 HD13 LEU 22 HD13 LEU 22 -4.121 -10.571 -5.663 164 HD21 LEU 22 HD21 LEU 22 -2.552 -8.667 -6.288 165 HD22 LEU 22 HD22 LEU 22 -2.023 -9.577 -7.702 166 HD23 LEU 22 HD23 LEU 22 -0.838 -9.013 -6.524 167 H VAL 23 H VAL 23 -4.615 -8.255 -4.265 168 HA VAL 23 HA VAL 23 -6.222 -10.179 -2.722 169 HB VAL 23 HB VAL 23 -7.008 -7.363 -3.507 170 HG11 VAL 23 HG11 VAL 23 -8.325 -9.362 -1.668 171 HG12 VAL 23 HG12 VAL 23 -8.908 -8.869 -3.258 172 HG13 VAL 23 HG13 VAL 23 -8.862 -7.702 -1.936 173 HG21 VAL 23 HG21 VAL 23 -6.694 -6.790 -1.153 174 HG22 VAL 23 HG22 VAL 23 -5.185 -7.344 -1.879 175 HG23 VAL 23 HG23 VAL 23 -6.105 -8.421 -0.830 176 H GLU 24 H GLU 24 -6.476 -11.683 -4.305 177 HA GLU 24 HA GLU 24 -7.573 -12.767 -5.950 178 HB2 GLU 24 HB2 GLU 24 -9.195 -10.227 -6.123 179 HB3 GLU 24 HB3 GLU 24 -9.569 -11.703 -7.003 180 HG2 GLU 24 HG2 GLU 24 -9.491 -11.389 -4.010 181 HG3 GLU 24 HG3 GLU 24 -10.937 -11.491 -5.012 182 H GLN 25 H GLN 25 -7.682 -9.471 -7.281 183 HA GLN 25 HA GLN 25 -5.977 -10.400 -9.491 184 HB2 GLN 25 HB2 GLN 25 -8.538 -8.820 -9.809 185 HB3 GLN 25 HB3 GLN 25 -7.454 -9.301 -11.109 186 HG2 GLN 25 HG2 GLN 25 -7.956 -11.628 -10.727 187 HG3 GLN 25 HG3 GLN 25 -8.928 -11.218 -9.316 188 HE21 GLN 25 HE21 GLN 25 -10.078 -8.868 -10.613 189 HE22 GLN 25 HE22 GLN 25 -11.244 -9.470 -11.734 190 H GLN 26 H GLN 26 -6.518 -8.113 -7.121 191 HA GLN 26 HA GLN 26 -5.040 -6.063 -8.628 192 HB2 GLN 26 HB2 GLN 26 -7.196 -5.665 -6.553 193 HB3 GLN 26 HB3 GLN 26 -6.224 -4.385 -7.245 194 HG2 GLN 26 HG2 GLN 26 -7.997 -6.179 -8.873 195 HG3 GLN 26 HG3 GLN 26 -8.527 -4.647 -8.189 196 HE21 GLN 26 HE21 GLN 26 -5.334 -5.281 -9.580 197 HE22 GLN 26 HE22 GLN 26 -5.521 -4.197 -10.912 198 H GLN 27 H GLN 27 -3.778 -4.581 -7.264 199 HA GLN 27 HA GLN 27 -2.707 -5.928 -4.886 200 HB2 GLN 27 HB2 GLN 27 -1.540 -3.742 -6.616 201 HB3 GLN 27 HB3 GLN 27 -0.799 -4.325 -5.133 202 HG2 GLN 27 HG2 GLN 27 -0.598 -6.559 -6.135 203 HG3 GLN 27 HG3 GLN 27 -1.291 -5.932 -7.631 204 HE21 GLN 27 HE21 GLN 27 1.480 -5.927 -5.532 205 HE22 GLN 27 HE22 GLN 27 2.577 -5.183 -6.640 206 H ILE 28 H ILE 28 -3.085 -5.106 -2.940 207 HA ILE 28 HA ILE 28 -3.922 -2.280 -2.735 208 HB ILE 28 HB ILE 28 -5.060 -4.615 -1.167 209 HG12 ILE 28 HG12 ILE 28 -6.346 -2.736 -3.161 210 HG13 ILE 28 HG13 ILE 28 -5.950 -4.427 -3.450 211 HG21 ILE 28 HG21 ILE 28 -5.684 -1.673 -0.956 212 HG22 ILE 28 HG22 ILE 28 -4.804 -2.632 0.233 213 HG23 ILE 28 HG23 ILE 28 -6.506 -2.970 -0.088 214 HD11 ILE 28 HD11 ILE 28 -7.541 -5.088 -1.716 215 HD12 ILE 28 HD12 ILE 28 -8.311 -4.151 -2.997 216 HD13 ILE 28 HD13 ILE 28 -7.946 -3.393 -1.448 217 H ALA 29 H ALA 29 -2.561 -1.170 -1.553 218 HA ALA 29 HA ALA 29 -0.615 -2.557 0.105 219 HB1 ALA 29 HB1 ALA 29 0.178 -0.856 -1.464 220 HB2 ALA 29 HB2 ALA 29 0.533 -0.406 0.203 221 HB3 ALA 29 HB3 ALA 29 -0.809 0.357 -0.649 222 H VAL 30 H VAL 30 -0.754 -2.673 2.239 223 HA VAL 30 HA VAL 30 -2.833 -1.037 3.551 224 HB VAL 30 HB VAL 30 -1.626 -3.601 4.598 225 HG11 VAL 30 HG11 VAL 30 -2.599 -2.185 6.309 226 HG12 VAL 30 HG12 VAL 30 -3.605 -3.610 6.053 227 HG13 VAL 30 HG13 VAL 30 -4.092 -2.055 5.381 228 HG21 VAL 30 HG21 VAL 30 -3.704 -4.706 3.884 229 HG22 VAL 30 HG22 VAL 30 -2.771 -4.097 2.516 230 HG23 VAL 30 HG23 VAL 30 -4.198 -3.220 3.070 231 H PHE 31 H PHE 31 -1.895 0.695 4.362 232 HA PHE 31 HA PHE 31 0.753 0.522 5.566 233 HD1 PHE 31 HD2 PHE 31 2.564 2.283 5.563 234 HD2 PHE 31 HD1 PHE 31 -0.894 4.584 6.490 235 HE1 PHE 31 HE2 PHE 31 3.932 3.757 6.982 236 HE2 PHE 31 HE1 PHE 31 0.467 6.062 7.909 237 HZ PHE 31 HZ PHE 31 2.881 5.649 8.155 238 HB2 PHE 31 HB2 PHE 31 0.366 2.397 4.089 239 HB3 PHE 31 HB3 PHE 31 -1.076 2.862 4.984 240 H ARG 32 H ARG 32 1.102 0.441 7.689 241 HA ARG 32 HA ARG 32 -1.061 1.231 9.505 242 HE ARG 32 HE ARG 32 -2.289 -1.446 13.335 243 HB2 ARG 32 HB2 ARG 32 -0.899 -1.275 9.279 244 HB3 ARG 32 HB3 ARG 32 0.712 -1.160 9.977 245 HG2 ARG 32 HG2 ARG 32 -0.247 -0.156 11.998 246 HG3 ARG 32 HG3 ARG 32 -1.858 -0.316 11.299 247 HD2 ARG 32 HD2 ARG 32 -1.447 -2.780 11.138 248 HD3 ARG 32 HD3 ARG 32 0.043 -2.529 12.048 249 HH11 ARG 32 HH11 ARG 32 -0.318 -4.314 12.921 250 HH12 ARG 32 HH12 ARG 32 -0.886 -5.058 14.380 251 HH21 ARG 32 HH21 ARG 32 -3.020 -2.429 15.256 252 HH22 ARG 32 HH22 ARG 32 -2.405 -3.997 15.708 253 HA PRO 33 HA PRO 33 2.610 3.576 10.677 254 HB2 PRO 33 HB2 PRO 33 1.285 5.588 11.902 255 HB3 PRO 33 HB3 PRO 33 1.441 5.478 10.147 256 HG2 PRO 33 HG2 PRO 33 -0.869 4.738 11.896 257 HG3 PRO 33 HG3 PRO 33 -0.871 5.558 10.323 258 HD2 PRO 33 HD2 PRO 33 -1.429 2.901 10.638 259 HD3 PRO 33 HD3 PRO 33 -0.731 3.587 9.158 260 H ARG 34 H ARG 34 -0.052 2.633 12.787 261 HA ARG 34 HA ARG 34 1.831 2.545 15.040 262 HE ARG 34 HE ARG 34 -2.165 3.788 17.379 263 HB2 ARG 34 HB2 ARG 34 -0.102 3.217 16.518 264 HB3 ARG 34 HB3 ARG 34 0.518 4.482 15.465 265 HG2 ARG 34 HG2 ARG 34 -1.339 3.963 13.875 266 HG3 ARG 34 HG3 ARG 34 -1.998 2.872 15.095 267 HD2 ARG 34 HD2 ARG 34 -1.445 5.793 15.570 268 HD3 ARG 34 HD3 ARG 34 -3.009 5.159 15.068 269 HH11 ARG 34 HH11 ARG 34 -3.185 7.004 16.426 270 HH12 ARG 34 HH12 ARG 34 -3.956 7.350 17.946 271 HH21 ARG 34 HH21 ARG 34 -3.158 4.240 19.368 272 HH22 ARG 34 HH22 ARG 34 -3.930 5.776 19.624 273 H ASN 35 H ASN 35 0.939 1.157 16.868 274 HA ASN 35 HA ASN 35 0.267 -1.390 15.667 275 HB2 ASN 35 HB2 ASN 35 0.824 -2.358 17.815 276 HB3 ASN 35 HB3 ASN 35 2.064 -1.194 17.372 277 HD21 ASN 35 HD21 ASN 35 1.227 -2.273 19.983 278 HD22 ASN 35 HD22 ASN 35 0.870 -0.885 20.961 279 H ASP 36 H ASP 36 -1.784 0.720 15.842 280 HA ASP 36 HA ASP 36 -3.719 -0.631 17.601 281 HB2 ASP 36 HB2 ASP 36 -3.671 2.245 16.674 282 HB3 ASP 36 HB3 ASP 36 -4.972 1.514 17.606 283 H GLU 37 H GLU 37 -5.897 0.912 16.400 284 HA GLU 37 HA GLU 37 -6.522 -1.072 14.397 285 HB2 GLU 37 HB2 GLU 37 -8.242 1.173 15.456 286 HB3 GLU 37 HB3 GLU 37 -8.787 -0.279 14.629 287 HG2 GLU 37 HG2 GLU 37 -8.251 -1.650 16.461 288 HG3 GLU 37 HG3 GLU 37 -7.312 -0.374 17.237 289 H GLN 38 H GLN 38 -5.291 2.079 14.388 290 HA GLN 38 HA GLN 38 -6.602 3.061 12.051 291 HB2 GLN 38 HB2 GLN 38 -4.065 3.970 13.419 292 HB3 GLN 38 HB3 GLN 38 -4.811 4.809 12.068 293 HG2 GLN 38 HG2 GLN 38 -5.439 5.946 14.044 294 HG3 GLN 38 HG3 GLN 38 -6.860 5.080 13.467 295 HE21 GLN 38 HE21 GLN 38 -7.823 5.080 15.500 296 HE22 GLN 38 HE22 GLN 38 -7.249 4.067 16.788 297 H VAL 39 H VAL 39 -6.404 1.812 10.307 298 HA VAL 39 HA VAL 39 -3.701 1.470 9.195 299 HB VAL 39 HB VAL 39 -4.418 -0.643 8.138 300 HG11 VAL 39 HG11 VAL 39 -4.362 -2.047 10.159 301 HG12 VAL 39 HG12 VAL 39 -4.668 -0.616 11.142 302 HG13 VAL 39 HG13 VAL 39 -3.174 -0.744 10.217 303 HG21 VAL 39 HG21 VAL 39 -6.453 -1.781 8.941 304 HG22 VAL 39 HG22 VAL 39 -6.816 -0.290 8.073 305 HG23 VAL 39 HG23 VAL 39 -6.893 -0.326 9.835 306 H TYR 40 H TYR 40 -3.625 1.454 6.859 307 HA TYR 40 HA TYR 40 -6.029 2.547 5.565 308 HD1 TYR 40 HD1 TYR 40 -6.512 5.227 5.280 309 HD2 TYR 40 HD2 TYR 40 -2.818 4.647 7.307 310 HE1 TYR 40 HE1 TYR 40 -7.108 7.011 6.862 311 HE2 TYR 40 HE2 TYR 40 -3.407 6.426 8.901 312 HH TYR 40 HH TYR 40 -6.544 7.714 9.154 313 HB2 TYR 40 HB2 TYR 40 -3.197 3.567 5.258 314 HB3 TYR 40 HB3 TYR 40 -4.535 4.037 4.218 315 H ALA 41 H ALA 41 -6.602 0.844 4.340 316 HA ALA 41 HA ALA 41 -4.545 -0.473 2.716 317 HB1 ALA 41 HB1 ALA 41 -6.194 -2.250 2.370 318 HB2 ALA 41 HB2 ALA 41 -7.374 -1.338 3.314 319 HB3 ALA 41 HB3 ALA 41 -5.913 -1.954 4.086 320 H ILE 42 H ILE 42 -4.273 0.817 0.966 321 HA ILE 42 HA ILE 42 -6.619 1.241 -0.761 322 HB ILE 42 HB ILE 42 -5.822 3.481 -1.374 323 HG12 ILE 42 HG12 ILE 42 -3.855 3.189 0.906 324 HG13 ILE 42 HG13 ILE 42 -3.421 3.071 -0.795 325 HG21 ILE 42 HG21 ILE 42 -6.295 3.105 1.581 326 HG22 ILE 42 HG22 ILE 42 -7.520 3.331 0.332 327 HG23 ILE 42 HG23 ILE 42 -6.411 4.644 0.727 328 HD11 ILE 42 HD11 ILE 42 -4.580 5.489 0.568 329 HD12 ILE 42 HD12 ILE 42 -4.150 5.374 -1.138 330 HD13 ILE 42 HD13 ILE 42 -2.897 5.262 0.097 331 H SER 43 H SER 43 -5.664 2.164 -2.994 332 HA SER 43 HA SER 43 -3.742 0.214 -3.891 333 HG SER 43 HG SER 43 -5.711 -0.195 -5.099 334 HB2 SER 43 HB2 SER 43 -5.010 2.535 -5.374 335 HB3 SER 43 HB3 SER 43 -4.073 1.234 -6.111 336 H ASN 44 H ASN 44 -2.255 1.222 -2.151 337 HA ASN 44 HA ASN 44 -0.979 3.719 -3.005 338 HB2 ASN 44 HB2 ASN 44 -1.693 3.127 -0.577 339 HB3 ASN 44 HB3 ASN 44 -0.228 2.154 -0.549 340 HD21 ASN 44 HD21 ASN 44 -0.633 5.212 -2.234 341 HD22 ASN 44 HD22 ASN 44 0.488 6.100 -1.267 342 H ILE 45 H ILE 45 -0.484 1.763 -4.777 343 HA ILE 45 HA ILE 45 2.189 0.704 -4.170 344 HB ILE 45 HB ILE 45 0.224 -0.016 -6.364 345 HG12 ILE 45 HG12 ILE 45 0.453 -2.311 -5.217 346 HG13 ILE 45 HG13 ILE 45 1.118 -1.419 -3.857 347 HG21 ILE 45 HG21 ILE 45 2.965 -1.146 -5.845 348 HG22 ILE 45 HG22 ILE 45 2.486 -0.155 -7.223 349 HG23 ILE 45 HG23 ILE 45 1.800 -1.766 -7.015 350 HD11 ILE 45 HD11 ILE 45 -1.618 -1.060 -5.050 351 HD12 ILE 45 HD12 ILE 45 -0.953 -0.130 -3.708 352 HD13 ILE 45 HD13 ILE 45 -1.230 -1.863 -3.527 353 H ASP 46 H ASP 46 3.942 1.536 -5.160 354 HA ASP 46 HA ASP 46 3.614 3.714 -7.043 355 HB2 ASP 46 HB2 ASP 46 5.379 3.716 -5.247 356 HB3 ASP 46 HB3 ASP 46 6.186 2.413 -6.114 357 HA PRO 47 HA PRO 47 3.399 0.932 -10.486 358 HB2 PRO 47 HB2 PRO 47 4.204 3.353 -12.007 359 HB3 PRO 47 HB3 PRO 47 2.811 2.290 -12.232 360 HG2 PRO 47 HG2 PRO 47 2.515 4.703 -11.152 361 HG3 PRO 47 HG3 PRO 47 1.593 3.312 -10.545 362 HD2 PRO 47 HD2 PRO 47 4.007 4.642 -9.381 363 HD3 PRO 47 HD3 PRO 47 2.571 3.996 -8.561 364 H PHE 48 H PHE 48 6.224 2.872 -9.765 365 HA PHE 48 HA PHE 48 7.802 1.623 -11.857 366 HD1 PHE 48 HD1 PHE 48 9.549 3.059 -13.209 367 HD2 PHE 48 HD2 PHE 48 10.886 3.033 -9.168 368 HE1 PHE 48 HE1 PHE 48 11.872 2.819 -13.982 369 HE2 PHE 48 HE2 PHE 48 13.211 2.791 -9.935 370 HZ PHE 48 HZ PHE 48 13.705 2.683 -12.345 371 HB2 PHE 48 HB2 PHE 48 8.172 3.989 -11.240 372 HB3 PHE 48 HB3 PHE 48 8.656 3.484 -9.625 373 H ALA 49 H ALA 49 6.989 0.950 -8.598 374 HA ALA 49 HA ALA 49 9.339 -0.819 -8.342 375 HB1 ALA 49 HB1 ALA 49 7.732 0.461 -6.137 376 HB2 ALA 49 HB2 ALA 49 9.321 0.988 -6.694 377 HB3 ALA 49 HB3 ALA 49 9.134 -0.588 -5.925 378 H GLN 50 H GLN 50 5.938 -0.603 -8.440 379 HA GLN 50 HA GLN 50 4.261 -2.102 -8.384 380 HB2 GLN 50 HB2 GLN 50 6.520 -4.096 -8.580 381 HB3 GLN 50 HB3 GLN 50 4.821 -4.540 -8.647 382 HG2 GLN 50 HG2 GLN 50 4.540 -3.143 -10.635 383 HG3 GLN 50 HG3 GLN 50 6.255 -2.736 -10.579 384 HE21 GLN 50 HE21 GLN 50 3.923 -5.239 -11.194 385 HE22 GLN 50 HE22 GLN 50 5.003 -6.336 -11.988 386 H ALA 51 H ALA 51 5.786 -1.234 -5.954 387 HA ALA 51 HA ALA 51 4.550 -3.109 -4.060 388 HB1 ALA 51 HB1 ALA 51 6.514 -3.019 -2.614 389 HB2 ALA 51 HB2 ALA 51 7.361 -2.026 -3.798 390 HB3 ALA 51 HB3 ALA 51 6.935 -3.692 -4.188 391 H SER 52 H SER 52 4.563 -2.107 -1.838 392 HA SER 52 HA SER 52 3.353 0.491 -2.045 393 HG SER 52 HG SER 52 4.114 -1.719 1.117 394 HB2 SER 52 HB2 SER 52 3.122 0.022 0.508 395 HB3 SER 52 HB3 SER 52 2.201 -0.964 -0.634 396 H VAL 53 H VAL 53 5.934 0.892 -2.736 397 HA VAL 53 HA VAL 53 7.608 1.520 -0.506 398 HB VAL 53 HB VAL 53 9.062 2.679 -2.097 399 HG11 VAL 53 HG11 VAL 53 8.024 0.047 -3.141 400 HG12 VAL 53 HG12 VAL 53 9.262 0.267 -1.902 401 HG13 VAL 53 HG13 VAL 53 9.573 0.777 -3.561 402 HG21 VAL 53 HG21 VAL 53 7.365 3.722 -3.497 403 HG22 VAL 53 HG22 VAL 53 6.894 2.141 -4.122 404 HG23 VAL 53 HG23 VAL 53 8.498 2.787 -4.475 405 H LEU 54 H LEU 54 5.020 3.084 -2.099 406 HA LEU 54 HA LEU 54 5.466 5.761 -1.366 407 HG LEU 54 HG LEU 54 3.990 4.043 -3.660 408 HB2 LEU 54 HB2 LEU 54 2.816 4.311 -1.503 409 HB3 LEU 54 HB3 LEU 54 3.058 6.044 -1.596 410 HD11 LEU 54 HD11 LEU 54 1.709 6.014 -3.710 411 HD12 LEU 54 HD12 LEU 54 1.563 4.259 -3.618 412 HD13 LEU 54 HD13 LEU 54 2.237 5.014 -5.063 413 HD21 LEU 54 HD21 LEU 54 5.427 6.011 -3.535 414 HD22 LEU 54 HD22 LEU 54 4.014 7.056 -3.675 415 HD23 LEU 54 HD23 LEU 54 4.475 6.009 -5.018 416 H SER 55 H SER 55 3.968 3.037 0.300 417 HA SER 55 HA SER 55 3.170 4.485 2.609 418 HG SER 55 HG SER 55 1.615 3.053 1.305 419 HB2 SER 55 HB2 SER 55 3.673 1.512 2.472 420 HB3 SER 55 HB3 SER 55 2.519 2.376 3.486 421 H ARG 56 H ARG 56 6.142 3.086 1.574 422 HA ARG 56 HA ARG 56 7.191 3.002 4.309 423 HE ARG 56 HE ARG 56 10.724 -0.091 5.194 424 HB2 ARG 56 HB2 ARG 56 7.465 1.097 2.572 425 HB3 ARG 56 HB3 ARG 56 8.695 2.128 1.856 426 HG2 ARG 56 HG2 ARG 56 9.984 2.089 3.890 427 HG3 ARG 56 HG3 ARG 56 8.712 1.186 4.716 428 HD2 ARG 56 HD2 ARG 56 9.031 -0.643 3.059 429 HD3 ARG 56 HD3 ARG 56 10.406 0.248 2.407 430 HH11 ARG 56 HH11 ARG 56 10.840 -1.907 2.196 431 HH12 ARG 56 HH12 ARG 56 11.954 -3.091 2.809 432 HH21 ARG 56 HH21 ARG 56 12.204 -1.666 5.989 433 HH22 ARG 56 HH22 ARG 56 12.720 -2.957 4.949 434 H GLY 57 H GLY 57 6.660 5.419 2.547 435 HA2 GLY 57 HA2 GLY 57 9.349 6.555 2.356 436 HA3 GLY 57 HA3 GLY 57 7.861 7.301 1.785 437 H ILE 58 H ILE 58 8.269 9.258 2.826 438 HA ILE 58 HA ILE 58 8.543 9.230 5.735 439 HB ILE 58 HB ILE 58 8.540 11.551 3.785 440 HG12 ILE 58 HG12 ILE 58 10.929 11.774 4.717 441 HG13 ILE 58 HG13 ILE 58 10.720 10.134 5.314 442 HG21 ILE 58 HG21 ILE 58 8.957 11.580 6.772 443 HG22 ILE 58 HG22 ILE 58 7.568 12.237 5.906 444 HG23 ILE 58 HG23 ILE 58 9.164 12.957 5.690 445 HD11 ILE 58 HD11 ILE 58 10.542 10.984 2.434 446 HD12 ILE 58 HD12 ILE 58 10.380 9.337 3.043 447 HD13 ILE 58 HD13 ILE 58 11.918 10.187 3.196 448 H VAL 59 H VAL 59 6.833 9.177 6.955 449 HA VAL 59 HA VAL 59 4.284 10.184 5.901 450 HB VAL 59 HB VAL 59 4.768 8.057 7.991 451 HG11 VAL 59 HG11 VAL 59 2.201 9.045 6.744 452 HG12 VAL 59 HG12 VAL 59 2.706 9.263 8.419 453 HG13 VAL 59 HG13 VAL 59 2.339 7.648 7.813 454 HG21 VAL 59 HG21 VAL 59 5.375 7.297 5.758 455 HG22 VAL 59 HG22 VAL 59 3.799 7.797 5.145 456 HG23 VAL 59 HG23 VAL 59 3.914 6.487 6.321 457 H ALA 60 H ALA 60 3.805 12.089 6.744 458 HA ALA 60 HA ALA 60 3.661 12.448 9.590 459 HB1 ALA 60 HB1 ALA 60 5.100 14.414 9.710 460 HB2 ALA 60 HB2 ALA 60 5.547 14.208 8.017 461 HB3 ALA 60 HB3 ALA 60 6.023 12.997 9.208 462 H GLU 61 H GLU 61 2.515 14.429 10.150 463 HA GLU 61 HA GLU 61 0.608 15.222 8.179 464 HB2 GLU 61 HB2 GLU 61 1.124 16.568 10.827 465 HB3 GLU 61 HB3 GLU 61 -0.348 16.581 9.882 466 HG2 GLU 61 HG2 GLU 61 -0.925 15.097 11.478 467 HG3 GLU 61 HG3 GLU 61 -0.246 13.992 10.285 468 H HIS 62 H HIS 62 0.204 17.482 7.665 469 HA HIS 62 HA HIS 62 2.687 19.068 7.527 470 HD2 HIS 62 HD2 HIS 62 0.626 21.400 4.251 471 HE1 HIS 62 HE1 HIS 62 4.839 21.768 4.210 472 HE2 HIS 62 HE2 HIS 62 2.651 22.905 3.637 473 HB2 HIS 62 HB2 HIS 62 1.965 18.083 5.326 474 HB3 HIS 62 HB3 HIS 62 0.486 19.024 5.446 475 H GLN 63 H GLN 63 1.088 19.267 9.675 476 HA GLN 63 HA GLN 63 -0.026 20.716 11.014 477 HB2 GLN 63 HB2 GLN 63 0.996 22.689 8.968 478 HB3 GLN 63 HB3 GLN 63 0.314 23.131 10.528 479 HG2 GLN 63 HG2 GLN 63 2.086 21.980 11.676 480 HG3 GLN 63 HG3 GLN 63 2.740 21.398 10.147 481 HE21 GLN 63 HE21 GLN 63 4.710 22.347 10.511 482 HE22 GLN 63 HE22 GLN 63 4.966 24.056 10.400 483 H ASP 64 H ASP 64 -1.485 19.485 8.761 484 HA ASP 64 HA ASP 64 -3.925 20.944 8.992 485 HB2 ASP 64 HB2 ASP 64 -2.938 22.325 7.255 486 HB3 ASP 64 HB3 ASP 64 -2.538 20.900 6.301 487 H ASP 65 H ASP 65 -2.248 18.640 6.864 488 HA ASP 65 HA ASP 65 -4.441 16.740 7.316 489 HB2 ASP 65 HB2 ASP 65 -4.380 18.153 5.044 490 HB3 ASP 65 HB3 ASP 65 -3.242 16.893 4.589 491 H LEU 66 H LEU 66 -3.608 14.663 5.824 492 HA LEU 66 HA LEU 66 -1.034 13.942 7.077 493 HG LEU 66 HG LEU 66 -3.962 13.311 8.165 494 HB2 LEU 66 HB2 LEU 66 -3.256 12.129 6.114 495 HB3 LEU 66 HB3 LEU 66 -1.791 11.618 6.927 496 HD11 LEU 66 HD11 LEU 66 -4.479 11.317 9.471 497 HD12 LEU 66 HD12 LEU 66 -3.270 10.407 8.566 498 HD13 LEU 66 HD13 LEU 66 -4.703 11.028 7.746 499 HD21 LEU 66 HD21 LEU 66 -2.768 12.893 10.260 500 HD22 LEU 66 HD22 LEU 66 -1.764 13.775 9.109 501 HD23 LEU 66 HD23 LEU 66 -1.501 12.051 9.370 502 H TRP 67 H TRP 67 0.606 14.009 5.651 503 HA TRP 67 HA TRP 67 0.022 13.244 2.867 504 HD1 TRP 67 HD1 TRP 67 -0.166 16.640 5.090 505 HE1 TRP 67 HE1 TRP 67 -1.985 18.195 4.139 506 HE3 TRP 67 HE3 TRP 67 0.145 15.361 0.133 507 HZ2 TRP 67 HZ2 TRP 67 -3.151 18.784 1.646 508 HZ3 TRP 67 HZ3 TRP 67 -1.367 16.465 -1.461 509 HH2 TRP 67 HH2 TRP 67 -2.983 18.140 -0.719 510 HB2 TRP 67 HB2 TRP 67 1.920 15.409 3.785 511 HB3 TRP 67 HB3 TRP 67 1.621 14.938 2.117 512 H VAL 68 H VAL 68 1.253 11.683 2.062 513 HA VAL 68 HA VAL 68 3.660 10.908 3.560 514 HB VAL 68 HB VAL 68 1.911 9.172 3.247 515 HG11 VAL 68 HG11 VAL 68 1.557 8.173 1.051 516 HG12 VAL 68 HG12 VAL 68 2.601 9.392 0.319 517 HG13 VAL 68 HG13 VAL 68 1.074 9.869 1.063 518 HG21 VAL 68 HG21 VAL 68 4.215 8.507 3.582 519 HG22 VAL 68 HG22 VAL 68 4.522 8.619 1.848 520 HG23 VAL 68 HG23 VAL 68 3.412 7.398 2.472 521 H ALA 69 H ALA 69 5.637 10.631 2.520 522 HA ALA 69 HA ALA 69 5.794 11.742 -0.206 523 HB1 ALA 69 HB1 ALA 69 6.806 13.236 1.428 524 HB2 ALA 69 HB2 ALA 69 8.041 12.552 0.372 525 HB3 ALA 69 HB3 ALA 69 7.835 11.928 2.010 526 H SER 70 H SER 70 6.314 10.288 -1.661 527 HA SER 70 HA SER 70 7.321 7.698 -1.009 528 HG SER 70 HG SER 70 6.868 6.641 -4.196 529 HB2 SER 70 HB2 SER 70 5.807 7.904 -2.858 530 HB3 SER 70 HB3 SER 70 6.815 9.126 -3.629 531 HA PRO 71 HA PRO 71 11.702 8.511 -1.576 532 HB2 PRO 71 HB2 PRO 71 12.511 5.975 -2.134 533 HB3 PRO 71 HB3 PRO 71 12.136 6.531 -0.499 534 HG2 PRO 71 HG2 PRO 71 10.466 4.928 -2.389 535 HG3 PRO 71 HG3 PRO 71 10.655 4.755 -0.636 536 HD2 PRO 71 HD2 PRO 71 8.508 5.959 -1.798 537 HD3 PRO 71 HD3 PRO 71 9.110 6.385 -0.183 538 H LEU 72 H LEU 72 9.624 7.047 -3.934 539 HA LEU 72 HA LEU 72 11.607 7.406 -6.060 540 HG LEU 72 HG LEU 72 10.260 4.078 -6.960 541 HB2 LEU 72 HB2 LEU 72 8.997 5.933 -5.913 542 HB3 LEU 72 HB3 LEU 72 9.696 6.349 -7.462 543 HD11 LEU 72 HD11 LEU 72 12.694 4.164 -7.015 544 HD12 LEU 72 HD12 LEU 72 12.646 5.856 -6.519 545 HD13 LEU 72 HD13 LEU 72 11.973 5.375 -8.076 546 HD21 LEU 72 HD21 LEU 72 11.432 5.093 -4.374 547 HD22 LEU 72 HD22 LEU 72 11.549 3.442 -4.985 548 HD23 LEU 72 HD23 LEU 72 9.977 4.111 -4.547 549 H LYS 73 H LYS 73 8.098 7.938 -5.832 550 HA LYS 73 HA LYS 73 8.046 10.006 -7.746 551 HB2 LYS 73 HB2 LYS 73 6.136 8.963 -5.704 552 HB3 LYS 73 HB3 LYS 73 5.783 10.505 -6.469 553 HG2 LYS 73 HG2 LYS 73 6.473 8.214 -8.225 554 HG3 LYS 73 HG3 LYS 73 4.891 8.217 -7.441 555 HD2 LYS 73 HD2 LYS 73 4.814 9.243 -9.677 556 HD3 LYS 73 HD3 LYS 73 4.393 10.395 -8.411 557 HE2 LYS 73 HE2 LYS 73 6.731 11.236 -8.483 558 HE3 LYS 73 HE3 LYS 73 7.032 10.165 -9.850 559 HZ1 LYS 73 HZ1 LYS 73 4.829 12.134 -9.926 560 HZ2 LYS 73 HZ2 LYS 73 5.641 11.389 -11.221 561 HZ3 LYS 73 HZ3 LYS 73 6.420 12.586 -10.306 562 H LYS 74 H LYS 74 8.307 10.033 -4.256 563 HA LYS 74 HA LYS 74 8.800 11.610 -2.724 564 HB2 LYS 74 HB2 LYS 74 10.713 11.903 -4.411 565 HB3 LYS 74 HB3 LYS 74 9.867 13.359 -4.923 566 HG2 LYS 74 HG2 LYS 74 10.087 14.337 -2.764 567 HG3 LYS 74 HG3 LYS 74 10.690 12.825 -2.082 568 HD2 LYS 74 HD2 LYS 74 12.642 13.002 -3.637 569 HD3 LYS 74 HD3 LYS 74 12.066 14.614 -4.075 570 HE2 LYS 74 HE2 LYS 74 12.301 15.369 -1.801 571 HE3 LYS 74 HE3 LYS 74 12.709 13.741 -1.261 572 HZ1 LYS 74 HZ1 LYS 74 14.699 15.017 -1.452 573 HZ2 LYS 74 HZ2 LYS 74 14.326 15.482 -3.038 574 HZ3 LYS 74 HZ3 LYS 74 14.699 13.864 -2.696 575 H GLN 75 H GLN 75 6.365 11.852 -4.647 576 HA GLN 75 HA GLN 75 5.627 14.622 -4.206 577 HB2 GLN 75 HB2 GLN 75 3.965 12.374 -5.367 578 HB3 GLN 75 HB3 GLN 75 3.631 14.096 -5.475 579 HG2 GLN 75 HG2 GLN 75 5.989 12.704 -6.722 580 HG3 GLN 75 HG3 GLN 75 4.512 13.176 -7.563 581 HE21 GLN 75 HE21 GLN 75 7.450 14.288 -6.083 582 HE22 GLN 75 HE22 GLN 75 7.389 15.903 -6.701 583 H HIS 76 H HIS 76 3.827 15.245 -2.930 584 HA HIS 76 HA HIS 76 3.445 13.481 -0.640 585 HD1 HIS 76 HD1 HIS 76 5.278 16.960 -1.344 586 HD2 HIS 76 HD2 HIS 76 4.258 14.978 2.177 587 HE1 HIS 76 HE1 HIS 76 7.269 17.192 0.176 588 HE2 HIS 76 HE2 HIS 76 6.688 15.860 2.241 589 HB2 HIS 76 HB2 HIS 76 2.767 16.375 -1.142 590 HB3 HIS 76 HB3 HIS 76 2.236 15.518 0.302 591 H PHE 77 H PHE 77 1.776 12.198 -0.456 592 HA PHE 77 HA PHE 77 -0.703 12.850 -1.922 593 HD1 PHE 77 HD2 PHE 77 -0.506 11.665 -4.373 594 HD2 PHE 77 HD1 PHE 77 2.263 9.549 -1.933 595 HE1 PHE 77 HE2 PHE 77 0.988 11.407 -6.305 596 HE2 PHE 77 HE1 PHE 77 3.767 9.285 -3.867 597 HZ PHE 77 HZ PHE 77 3.127 10.215 -6.056 598 HB2 PHE 77 HB2 PHE 77 0.185 10.082 -1.085 599 HB3 PHE 77 HB3 PHE 77 -1.138 10.501 -2.165 600 H ARG 78 H ARG 78 -2.641 12.747 -0.796 601 HA ARG 78 HA ARG 78 -2.490 12.591 2.082 602 HE ARG 78 HE ARG 78 -6.372 14.780 -0.148 603 HB2 ARG 78 HB2 ARG 78 -4.910 12.839 0.284 604 HB3 ARG 78 HB3 ARG 78 -4.934 12.972 2.034 605 HG2 ARG 78 HG2 ARG 78 -3.210 14.878 1.640 606 HG3 ARG 78 HG3 ARG 78 -3.869 14.873 0.004 607 HD2 ARG 78 HD2 ARG 78 -5.465 15.209 2.543 608 HD3 ARG 78 HD3 ARG 78 -4.995 16.506 1.450 609 HH11 ARG 78 HH11 ARG 78 -7.088 16.319 2.935 610 HH12 ARG 78 HH12 ARG 78 -8.789 16.486 2.596 611 HH21 ARG 78 HH21 ARG 78 -8.609 14.986 -0.578 612 HH22 ARG 78 HH22 ARG 78 -9.657 15.709 0.607 613 H LEU 79 H LEU 79 -2.631 10.812 3.233 614 HA LEU 79 HA LEU 79 -2.541 8.279 2.154 615 HG LEU 79 HG LEU 79 -1.101 9.836 4.367 616 HB2 LEU 79 HB2 LEU 79 -3.405 9.066 4.934 617 HB3 LEU 79 HB3 LEU 79 -2.948 7.447 4.447 618 HD11 LEU 79 HD11 LEU 79 -1.720 9.247 6.660 619 HD12 LEU 79 HD12 LEU 79 -0.039 8.839 6.323 620 HD13 LEU 79 HD13 LEU 79 -1.266 7.571 6.354 621 HD21 LEU 79 HD21 LEU 79 0.642 8.152 4.031 622 HD22 LEU 79 HD22 LEU 79 -0.553 8.096 2.735 623 HD23 LEU 79 HD23 LEU 79 -0.583 6.882 4.014 624 H TYR 80 H TYR 80 -5.359 9.722 3.803 625 HA TYR 80 HA TYR 80 -6.949 7.383 3.113 626 HD1 TYR 80 HD1 TYR 80 -5.691 10.159 5.888 627 HD2 TYR 80 HD2 TYR 80 -9.545 10.633 4.153 628 HE1 TYR 80 HE1 TYR 80 -5.657 12.545 6.478 629 HE2 TYR 80 HE2 TYR 80 -9.519 13.018 4.736 630 HH TYR 80 HH TYR 80 -6.730 14.654 5.662 631 HB2 TYR 80 HB2 TYR 80 -8.665 8.436 4.570 632 HB3 TYR 80 HB3 TYR 80 -7.124 8.212 5.390 633 H ASP 81 H ASP 81 -6.081 9.599 1.169 634 HA ASP 81 HA ASP 81 -8.781 10.367 0.268 635 HB2 ASP 81 HB2 ASP 81 -7.662 12.299 1.190 636 HB3 ASP 81 HB3 ASP 81 -6.239 11.991 0.205 637 H GLY 82 H GLY 82 -5.424 10.313 -0.956 638 HA2 GLY 82 HA2 GLY 82 -4.866 8.663 -2.668 639 HA3 GLY 82 HA3 GLY 82 -6.475 8.901 -3.325 640 H PHE 83 H PHE 83 -6.097 11.900 -2.846 641 HA PHE 83 HA PHE 83 -4.956 12.364 -5.461 642 HD1 PHE 83 HD1 PHE 83 -6.558 13.624 -7.146 643 HD2 PHE 83 HD2 PHE 83 -8.441 13.321 -3.344 644 HE1 PHE 83 HE1 PHE 83 -8.660 12.974 -8.245 645 HE2 PHE 83 HE2 PHE 83 -10.547 12.669 -4.435 646 HZ PHE 83 HZ PHE 83 -10.659 12.496 -6.887 647 HB2 PHE 83 HB2 PHE 83 -6.298 14.224 -3.498 648 HB3 PHE 83 HB3 PHE 83 -5.655 14.745 -5.053 649 H CYS 84 H CYS 84 -3.539 14.399 -5.691 650 HA CYS 84 HA CYS 84 -1.252 13.883 -3.909 651 HG CYS 84 HG CYS 84 -0.726 11.551 -6.336 652 HB2 CYS 84 HB2 CYS 84 -0.976 14.889 -6.717 653 HB3 CYS 84 HB3 CYS 84 0.163 13.955 -5.755 654 H LEU 85 H LEU 85 0.349 15.644 -3.776 655 HA LEU 85 HA LEU 85 -0.912 18.275 -3.697 656 HG LEU 85 HG LEU 85 1.832 19.762 -3.147 657 HB2 LEU 85 HB2 LEU 85 0.346 17.540 -1.733 658 HB3 LEU 85 HB3 LEU 85 1.785 17.326 -2.713 659 HD11 LEU 85 HD11 LEU 85 0.400 21.231 -1.801 660 HD12 LEU 85 HD12 LEU 85 -0.479 19.820 -1.214 661 HD13 LEU 85 HD13 LEU 85 -0.531 20.242 -2.926 662 HD21 LEU 85 HD21 LEU 85 1.759 18.969 -0.239 663 HD22 LEU 85 HD22 LEU 85 2.516 20.426 -0.884 664 HD23 LEU 85 HD23 LEU 85 3.140 18.837 -1.326 665 H GLU 86 H GLU 86 2.356 17.174 -4.638 666 HA GLU 86 HA GLU 86 2.500 19.312 -6.595 667 HB2 GLU 86 HB2 GLU 86 4.592 17.200 -6.095 668 HB3 GLU 86 HB3 GLU 86 4.815 18.802 -6.781 669 HG2 GLU 86 HG2 GLU 86 5.563 19.261 -4.713 670 HG3 GLU 86 HG3 GLU 86 3.846 19.493 -4.388 671 H ASP 87 H ASP 87 1.705 15.998 -6.552 672 HA ASP 87 HA ASP 87 2.331 15.638 -9.387 673 HB2 ASP 87 HB2 ASP 87 2.837 13.908 -7.498 674 HB3 ASP 87 HB3 ASP 87 1.123 13.525 -7.614 675 H GLY 88 H GLY 88 0.200 13.625 -9.679 676 HA2 GLY 88 HA2 GLY 88 -2.368 14.406 -9.205 677 HA3 GLY 88 HA3 GLY 88 -1.881 15.406 -10.570 678 H ALA 89 H ALA 89 -0.096 13.461 -11.681 679 HA ALA 89 HA ALA 89 -1.909 11.940 -13.263 680 HB1 ALA 89 HB1 ALA 89 0.194 12.774 -14.164 681 HB2 ALA 89 HB2 ALA 89 0.110 11.017 -14.298 682 HB3 ALA 89 HB3 ALA 89 1.092 11.759 -13.036 683 H TYR 90 H TYR 90 0.031 11.289 -10.429 684 HA TYR 90 HA TYR 90 -0.840 8.483 -10.512 685 HD1 TYR 90 HD2 TYR 90 1.096 6.550 -10.752 686 HD2 TYR 90 HD1 TYR 90 2.798 10.446 -10.822 687 HE1 TYR 90 HE2 TYR 90 2.507 5.893 -12.652 688 HE2 TYR 90 HE1 TYR 90 4.207 9.801 -12.731 689 HH TYR 90 HH TYR 90 3.658 7.061 -14.563 690 HB2 TYR 90 HB2 TYR 90 1.429 9.793 -9.008 691 HB3 TYR 90 HB3 TYR 90 0.949 8.112 -8.796 692 H SER 91 H SER 91 -2.910 9.794 -9.902 693 HA SER 91 HA SER 91 -3.135 10.081 -7.017 694 HG SER 91 HG SER 91 -4.142 11.485 -10.046 695 HB2 SER 91 HB2 SER 91 -5.657 10.447 -7.896 696 HB3 SER 91 HB3 SER 91 -4.449 11.734 -7.891 697 H VAL 92 H VAL 92 -3.791 8.470 -5.746 698 HA VAL 92 HA VAL 92 -4.319 5.926 -7.076 699 HB VAL 92 HB VAL 92 -3.734 4.865 -4.956 700 HG11 VAL 92 HG11 VAL 92 -1.370 5.523 -4.880 701 HG12 VAL 92 HG12 VAL 92 -1.750 6.962 -5.827 702 HG13 VAL 92 HG13 VAL 92 -1.958 5.361 -6.536 703 HG21 VAL 92 HG21 VAL 92 -4.584 6.537 -3.408 704 HG22 VAL 92 HG22 VAL 92 -3.342 7.675 -3.928 705 HG23 VAL 92 HG23 VAL 92 -2.885 6.201 -3.076 706 H ALA 93 H ALA 93 -5.788 4.385 -6.010 707 HA ALA 93 HA ALA 93 -8.316 5.702 -5.427 708 HB1 ALA 93 HB1 ALA 93 -7.701 2.795 -5.951 709 HB2 ALA 93 HB2 ALA 93 -8.293 3.964 -7.132 710 HB3 ALA 93 HB3 ALA 93 -9.311 3.493 -5.772 711 H ALA 94 H ALA 94 -9.253 5.739 -3.498 712 HA ALA 94 HA ALA 94 -8.014 4.213 -1.313 713 HB1 ALA 94 HB1 ALA 94 -7.811 6.630 -1.036 714 HB2 ALA 94 HB2 ALA 94 -8.873 5.945 0.192 715 HB3 ALA 94 HB3 ALA 94 -9.560 6.805 -1.185 716 H TYR 95 H TYR 95 -9.183 2.393 -1.294 717 HA TYR 95 HA TYR 95 -12.041 2.368 -1.538 718 HD1 TYR 95 HD2 TYR 95 -12.860 -0.059 -3.107 719 HD2 TYR 95 HD1 TYR 95 -8.666 0.555 -2.732 720 HE1 TYR 95 HE2 TYR 95 -12.588 -0.477 -5.514 721 HE2 TYR 95 HE1 TYR 95 -8.386 0.136 -5.139 722 HH TYR 95 HH TYR 95 -9.534 -0.955 -6.968 723 HB2 TYR 95 HB2 TYR 95 -10.061 0.218 -0.766 724 HB3 TYR 95 HB3 TYR 95 -11.792 -0.061 -0.921 725 H ASP 96 H ASP 96 -13.539 1.811 0.082 726 HA ASP 96 HA ASP 96 -12.943 2.915 2.660 727 HB2 ASP 96 HB2 ASP 96 -15.227 2.801 1.333 728 HB3 ASP 96 HB3 ASP 96 -15.390 1.265 2.175 729 H THR 97 H THR 97 -12.129 1.886 4.354 730 HA THR 97 HA THR 97 -12.158 -1.071 4.367 731 HB THR 97 HB THR 97 -9.898 -1.025 5.331 732 HG1 THR 97 HG1 THR 97 -10.106 1.804 4.935 733 HG21 THR 97 HG21 THR 97 -8.661 -0.240 3.352 734 HG22 THR 97 HG22 THR 97 -10.118 0.575 2.781 735 HG23 THR 97 HG23 THR 97 -10.084 -1.184 2.909 736 H GLN 98 H GLN 98 -11.967 -2.030 6.517 737 HA GLN 98 HA GLN 98 -11.895 -0.422 8.860 738 HB2 GLN 98 HB2 GLN 98 -14.255 -0.044 8.154 739 HB3 GLN 98 HB3 GLN 98 -14.540 -1.772 8.289 740 HG2 GLN 98 HG2 GLN 98 -13.912 -1.621 10.688 741 HG3 GLN 98 HG3 GLN 98 -13.809 0.128 10.506 742 HE21 GLN 98 HE21 GLN 98 -15.906 -2.623 10.635 743 HE22 GLN 98 HE22 GLN 98 -17.386 -1.751 10.806 744 H VAL 99 H VAL 99 -11.663 -1.629 10.728 745 HA VAL 99 HA VAL 99 -11.160 -4.485 10.372 746 HB VAL 99 HB VAL 99 -10.650 -2.716 12.781 747 HG11 VAL 99 HG11 VAL 99 -9.711 -5.520 12.184 748 HG12 VAL 99 HG12 VAL 99 -10.923 -5.067 13.382 749 HG13 VAL 99 HG13 VAL 99 -9.248 -4.550 13.583 750 HG21 VAL 99 HG21 VAL 99 -9.273 -2.029 10.913 751 HG22 VAL 99 HG22 VAL 99 -8.767 -3.695 10.641 752 HG23 VAL 99 HG23 VAL 99 -8.281 -2.856 12.114 753 H THR 100 H THR 100 -12.957 -5.723 10.599 754 HA THR 100 HA THR 100 -15.049 -4.707 12.385 755 HB THR 100 HB THR 100 -15.674 -4.953 10.011 756 HG1 THR 100 HG1 THR 100 -17.525 -6.520 10.558 757 HG21 THR 100 HG21 THR 100 -14.295 -6.894 9.445 758 HG22 THR 100 HG22 THR 100 -15.990 -7.179 9.049 759 HG23 THR 100 HG23 THR 100 -15.286 -7.907 10.495 760 H ASN 101 H ASN 101 -13.130 -7.552 11.712 761 HA ASN 101 HA ASN 101 -14.137 -8.750 14.207 762 HB2 ASN 101 HB2 ASN 101 -13.768 -10.120 11.538 763 HB3 ASN 101 HB3 ASN 101 -13.863 -11.010 13.053 764 HD21 ASN 101 HD21 ASN 101 -15.621 -11.033 10.707 765 HD22 ASN 101 HD22 ASN 101 -17.196 -10.629 11.307 766 H GLY 102 H GLY 102 -11.771 -7.189 13.709 767 HA2 GLY 102 HA2 GLY 102 -9.569 -7.340 14.486 768 HA3 GLY 102 HA3 GLY 102 -9.728 -9.094 14.530 769 H ASN 103 H ASN 103 -10.935 -8.191 11.676 770 HA ASN 103 HA ASN 103 -8.364 -8.474 10.291 771 HB2 ASN 103 HB2 ASN 103 -9.770 -9.434 8.405 772 HB3 ASN 103 HB3 ASN 103 -9.629 -10.437 9.842 773 HD21 ASN 103 HD21 ASN 103 -11.496 -11.558 9.277 774 HD22 ASN 103 HD22 ASN 103 -13.079 -10.868 9.464 775 H VAL 104 H VAL 104 -8.056 -7.286 8.367 776 HA VAL 104 HA VAL 104 -9.601 -4.801 8.291 777 HB VAL 104 HB VAL 104 -7.066 -5.510 6.797 778 HG11 VAL 104 HG11 VAL 104 -6.881 -3.073 6.468 779 HG12 VAL 104 HG12 VAL 104 -8.461 -2.868 7.224 780 HG13 VAL 104 HG13 VAL 104 -8.318 -3.750 5.703 781 HG21 VAL 104 HG21 VAL 104 -5.906 -4.133 8.458 782 HG22 VAL 104 HG22 VAL 104 -6.686 -5.529 9.203 783 HG23 VAL 104 HG23 VAL 104 -7.418 -3.930 9.343 784 H GLN 105 H GLN 105 -11.293 -4.757 6.983 785 HA GLN 105 HA GLN 105 -11.155 -6.300 4.478 786 HB2 GLN 105 HB2 GLN 105 -13.605 -5.570 6.092 787 HB3 GLN 105 HB3 GLN 105 -13.609 -6.449 4.569 788 HG2 GLN 105 HG2 GLN 105 -12.240 -8.211 5.661 789 HG3 GLN 105 HG3 GLN 105 -12.448 -7.356 7.188 790 HE21 GLN 105 HE21 GLN 105 -15.193 -6.554 6.469 791 HE22 GLN 105 HE22 GLN 105 -16.156 -7.970 6.690 792 H ILE 106 H ILE 106 -11.674 -5.325 2.602 793 HA ILE 106 HA ILE 106 -12.278 -2.451 2.700 794 HB ILE 106 HB ILE 106 -11.131 -2.100 0.680 795 HG12 ILE 106 HG12 ILE 106 -12.086 -4.100 -0.509 796 HG13 ILE 106 HG13 ILE 106 -10.398 -3.774 -0.876 797 HG21 ILE 106 HG21 ILE 106 -9.607 -2.447 2.532 798 HG22 ILE 106 HG22 ILE 106 -8.885 -3.010 1.024 799 HG23 ILE 106 HG23 ILE 106 -9.540 -4.174 2.177 800 HD11 ILE 106 HD11 ILE 106 -9.718 -5.564 0.624 801 HD12 ILE 106 HD12 ILE 106 -10.826 -6.153 -0.616 802 HD13 ILE 106 HD13 ILE 106 -11.408 -5.875 1.025 803 H SER 107 H SER 107 -13.857 -1.628 1.257 804 HA SER 107 HA SER 107 -15.806 -3.583 0.345 805 HG SER 107 HG SER 107 -17.865 -2.652 0.069 806 HB2 SER 107 HB2 SER 107 -16.436 -1.386 1.473 807 HB3 SER 107 HB3 SER 107 -15.926 -0.579 -0.010 808 H ILE 108 H ILE 108 -15.306 -4.576 -1.498 809 HA ILE 108 HA ILE 108 -13.404 -3.439 -3.293 810 HB ILE 108 HB ILE 108 -13.898 -5.547 -4.665 811 HG12 ILE 108 HG12 ILE 108 -14.785 -7.371 -2.976 812 HG13 ILE 108 HG13 ILE 108 -15.625 -6.003 -2.258 813 HG21 ILE 108 HG21 ILE 108 -11.924 -5.285 -3.314 814 HG22 ILE 108 HG22 ILE 108 -12.551 -6.924 -3.132 815 HG23 ILE 108 HG23 ILE 108 -12.818 -5.731 -1.861 816 HD11 ILE 108 HD11 ILE 108 -17.047 -7.198 -3.813 817 HD12 ILE 108 HD12 ILE 108 -15.878 -6.934 -5.107 818 HD13 ILE 108 HD13 ILE 108 -16.724 -5.562 -4.391 819 H ALA 109 H ALA 109 -13.638 -2.493 -5.176 820 HA ALA 109 HA ALA 109 -16.272 -2.518 -6.473 821 HB1 ALA 109 HB1 ALA 109 -15.878 -0.254 -7.268 822 HB2 ALA 109 HB2 ALA 109 -14.309 -0.224 -6.463 823 HB3 ALA 109 HB3 ALA 109 -15.789 -0.299 -5.507 824 H ASP 110 H ASP 110 -15.695 -4.238 -7.769 825 HA ASP 110 HA ASP 110 -13.185 -4.305 -9.154 826 HB2 ASP 110 HB2 ASP 110 -14.092 -6.373 -10.187 827 HB3 ASP 110 HB3 ASP 110 -14.188 -6.387 -8.428 828 H SER 111 H SER 111 -12.732 -3.772 -11.197 829 HA SER 111 HA SER 111 -14.891 -2.620 -12.811 830 HG SER 111 HG SER 111 -13.576 -1.196 -11.348 831 HB2 SER 111 HB2 SER 111 -11.903 -2.262 -13.143 832 HB3 SER 111 HB3 SER 111 -13.175 -1.378 -13.991 833 H ASP 112 H ASP 112 -11.771 -3.879 -13.923 834 HA ASP 112 HA ASP 112 -12.655 -6.426 -14.717 835 HB2 ASP 112 HB2 ASP 112 -13.966 -5.058 -16.373 836 HB3 ASP 112 HB3 ASP 112 -12.433 -4.487 -17.030 837 H VAL 113 H VAL 113 -10.742 -7.232 -14.082 838 HA VAL 113 HA VAL 113 -8.393 -6.527 -15.678 839 HB VAL 113 HB VAL 113 -8.302 -6.803 -12.664 840 HG11 VAL 113 HG11 VAL 113 -6.307 -7.671 -13.738 841 HG12 VAL 113 HG12 VAL 113 -5.948 -6.161 -12.901 842 HG13 VAL 113 HG13 VAL 113 -6.130 -6.176 -14.655 843 HG21 VAL 113 HG21 VAL 113 -7.924 -4.361 -14.393 844 HG22 VAL 113 HG22 VAL 113 -7.652 -4.433 -12.651 845 HG23 VAL 113 HG23 VAL 113 -9.276 -4.667 -13.302 846 H ALA 114 H ALA 114 -7.312 -8.283 -16.344 847 HA ALA 114 HA ALA 114 -8.253 -10.907 -15.688 848 HB1 ALA 114 HB1 ALA 114 -7.428 -10.384 -17.925 849 HB2 ALA 114 HB2 ALA 114 -6.487 -11.687 -17.199 850 HB3 ALA 114 HB3 ALA 114 -5.826 -10.055 -17.267 851 H VAL 115 H VAL 115 -6.647 -12.661 -15.037 852 HA VAL 115 HA VAL 115 -5.358 -11.748 -12.597 853 HB VAL 115 HB VAL 115 -5.028 -14.215 -12.146 854 HG11 VAL 115 HG11 VAL 115 -6.856 -12.923 -11.173 855 HG12 VAL 115 HG12 VAL 115 -7.371 -14.569 -11.539 856 HG13 VAL 115 HG13 VAL 115 -7.848 -13.240 -12.596 857 HG21 VAL 115 HG21 VAL 115 -5.140 -15.054 -14.427 858 HG22 VAL 115 HG22 VAL 115 -6.800 -14.479 -14.579 859 HG23 VAL 115 HG23 VAL 115 -6.418 -15.780 -13.452 860 H ASP 116 H ASP 116 -3.331 -11.056 -12.730 861 HA ASP 116 HA ASP 116 -1.483 -12.367 -14.586 862 HB2 ASP 116 HB2 ASP 116 -1.452 -9.910 -14.544 863 HB3 ASP 116 HB3 ASP 116 -1.070 -9.939 -12.824 864 H ASN 117 H ASN 117 -0.720 -14.218 -13.787 865 HA ASN 117 HA ASN 117 0.233 -14.205 -10.998 866 HB2 ASN 117 HB2 ASN 117 -1.598 -15.843 -11.604 867 HB3 ASN 117 HB3 ASN 117 -0.442 -16.638 -12.667 868 HD21 ASN 117 HD21 ASN 117 0.303 -15.208 -9.535 869 HD22 ASN 117 HD22 ASN 117 0.721 -16.701 -8.766 870 H SER 118 H SER 118 1.661 -13.132 -13.246 871 HA SER 118 HA SER 118 3.624 -14.842 -14.267 872 HG SER 118 HG SER 118 2.368 -11.770 -15.129 873 HB2 SER 118 HB2 SER 118 3.851 -11.887 -13.635 874 HB3 SER 118 HB3 SER 118 4.890 -12.793 -14.737 875 H GLN 119 H GLN 119 3.409 -13.057 -11.243 876 HA GLN 119 HA GLN 119 5.918 -14.172 -10.292 877 HB2 GLN 119 HB2 GLN 119 3.894 -12.260 -9.190 878 HB3 GLN 119 HB3 GLN 119 4.947 -13.111 -8.072 879 HG2 GLN 119 HG2 GLN 119 6.026 -11.099 -8.438 880 HG3 GLN 119 HG3 GLN 119 6.875 -12.227 -9.488 881 HE21 GLN 119 HE21 GLN 119 6.652 -9.325 -9.584 882 HE22 GLN 119 HE22 GLN 119 6.012 -8.936 -11.148 883 HA PRO 120 HA PRO 120 3.801 -17.950 -9.235 884 HB2 PRO 120 HB2 PRO 120 6.270 -18.438 -7.672 885 HB3 PRO 120 HB3 PRO 120 5.521 -19.421 -8.933 886 HG2 PRO 120 HG2 PRO 120 7.749 -18.039 -9.415 887 HG3 PRO 120 HG3 PRO 120 6.482 -18.194 -10.647 888 HD2 PRO 120 HD2 PRO 120 7.112 -15.881 -8.853 889 HD3 PRO 120 HD3 PRO 120 6.639 -15.883 -10.565 890 H LEU 121 H LEU 121 2.690 -18.755 -7.523 891 HA LEU 121 HA LEU 121 2.187 -17.093 -5.301 892 HG LEU 121 HG LEU 121 0.461 -18.621 -7.404 893 HB2 LEU 121 HB2 LEU 121 1.566 -20.022 -5.700 894 HB3 LEU 121 HB3 LEU 121 0.884 -19.014 -4.437 895 HD11 LEU 121 HD11 LEU 121 -1.831 -19.343 -6.944 896 HD12 LEU 121 HD12 LEU 121 -1.387 -19.677 -5.270 897 HD13 LEU 121 HD13 LEU 121 -0.664 -20.612 -6.578 898 HD21 LEU 121 HD21 LEU 121 -0.744 -17.204 -5.028 899 HD22 LEU 121 HD22 LEU 121 -1.221 -16.980 -6.712 900 HD23 LEU 121 HD23 LEU 121 0.396 -16.514 -6.184 901 HA PRO 122 HA PRO 122 5.395 -17.989 -2.412 902 HB2 PRO 122 HB2 PRO 122 3.205 -18.154 -0.401 903 HB3 PRO 122 HB3 PRO 122 4.671 -17.166 -0.393 904 HG2 PRO 122 HG2 PRO 122 2.309 -16.072 -0.927 905 HG3 PRO 122 HG3 PRO 122 3.764 -15.573 -1.814 906 HD2 PRO 122 HD2 PRO 122 1.527 -17.353 -2.689 907 HD3 PRO 122 HD3 PRO 122 2.444 -16.151 -3.620 908 H LEU 123 H LEU 123 6.387 -19.840 -1.995 909 HA LEU 123 HA LEU 123 4.923 -22.333 -1.974 910 HG LEU 123 HG LEU 123 7.245 -23.966 -0.666 911 HB2 LEU 123 HB2 LEU 123 7.088 -22.189 -3.103 912 HB3 LEU 123 HB3 LEU 123 7.862 -21.737 -1.596 913 HD11 LEU 123 HD11 LEU 123 6.506 -25.722 -2.161 914 HD12 LEU 123 HD12 LEU 123 6.459 -24.588 -3.510 915 HD13 LEU 123 HD13 LEU 123 5.337 -24.401 -2.163 916 HD21 LEU 123 HD21 LEU 123 8.950 -25.204 -1.904 917 HD22 LEU 123 HD22 LEU 123 9.466 -23.547 -1.590 918 HD23 LEU 123 HD23 LEU 123 8.890 -24.004 -3.194 919 H GLU 124 H GLU 124 7.355 -20.957 0.216 920 HA GLU 124 HA GLU 124 7.646 -21.030 2.451 921 HB2 GLU 124 HB2 GLU 124 4.814 -20.303 2.014 922 HB3 GLU 124 HB3 GLU 124 5.279 -20.708 3.661 923 HG2 GLU 124 HG2 GLU 124 5.414 -18.276 3.070 924 HG3 GLU 124 HG3 GLU 124 6.882 -18.975 3.742 925 H HIS 125 H HIS 125 7.150 -23.619 1.137 926 HA HIS 125 HA HIS 125 6.185 -25.199 3.404 927 HD1 HIS 125 HD1 HIS 125 4.377 -24.380 0.712 928 HD2 HIS 125 HD2 HIS 125 4.493 -28.334 2.007 929 HE1 HIS 125 HE1 HIS 125 1.991 -25.173 0.693 930 HE2 HIS 125 HE2 HIS 125 2.075 -27.532 1.575 931 HB2 HIS 125 HB2 HIS 125 6.816 -25.803 0.538 932 HB3 HIS 125 HB3 HIS 125 6.869 -27.108 1.718 933 H HIS 126 H HIS 126 8.623 -23.519 3.236 934 HA HIS 126 HA HIS 126 10.986 -25.004 3.089 935 HD1 HIS 126 HD1 HIS 126 13.159 -22.717 2.370 936 HD2 HIS 126 HD2 HIS 126 12.666 -23.171 6.471 937 HE1 HIS 126 HE1 HIS 126 15.474 -22.582 3.349 938 HE2 HIS 126 HE2 HIS 126 15.119 -22.636 5.848 939 HB2 HIS 126 HB2 HIS 126 10.747 -22.498 3.144 940 HB3 HIS 126 HB3 HIS 126 10.414 -22.619 4.864 941 H HIS 127 H HIS 127 9.326 -23.859 6.019 942 HA HIS 127 HA HIS 127 9.105 -24.684 8.102 943 HD1 HIS 127 HD1 HIS 127 7.011 -28.325 8.470 944 HD2 HIS 127 HD2 HIS 127 7.070 -24.870 6.157 945 HE1 HIS 127 HE1 HIS 127 4.598 -27.739 8.058 946 HE2 HIS 127 HE2 HIS 127 4.661 -25.713 6.553 947 HB2 HIS 127 HB2 HIS 127 9.416 -27.234 6.561 948 HB3 HIS 127 HB3 HIS 127 9.311 -27.261 8.319 949 H HIS 128 H HIS 128 10.280 -26.236 9.782 950 HA HIS 128 HA HIS 128 13.068 -25.317 9.704 951 HD1 HIS 128 HD1 HIS 128 9.433 -24.730 11.615 952 HD2 HIS 128 HD2 HIS 128 13.090 -22.791 11.991 953 HE1 HIS 128 HE1 HIS 128 8.880 -22.303 11.972 954 HE2 HIS 128 HE2 HIS 128 11.101 -21.172 12.343 955 HB2 HIS 128 HB2 HIS 128 11.450 -26.306 12.064 956 HB3 HIS 128 HB3 HIS 128 13.049 -25.575 12.128 957 H HIS 129 H HIS 129 14.598 -26.756 9.238 958 HA HIS 129 HA HIS 129 14.096 -29.594 9.630 959 HD1 HIS 129 HD1 HIS 129 16.691 -28.285 5.964 960 HD2 HIS 129 HD2 HIS 129 13.279 -30.087 7.518 961 HE1 HIS 129 HE1 HIS 129 15.225 -28.784 3.983 962 HE2 HIS 129 HE2 HIS 129 13.079 -29.665 4.973 963 HB2 HIS 129 HB2 HIS 129 16.474 -28.094 8.523 964 HB3 HIS 129 HB3 HIS 129 16.453 -29.839 8.744 965 H HIS 130 H HIS 130 13.885 -29.637 11.896 966 HA HIS 130 HA HIS 130 16.436 -29.343 13.335 967 HD1 HIS 130 HD1 HIS 130 14.478 -29.733 16.783 968 HD2 HIS 130 HD2 HIS 130 16.942 -26.696 15.363 969 HE1 HIS 130 HE1 HIS 130 15.924 -29.065 18.727 970 HE2 HIS 130 HE2 HIS 130 17.228 -27.071 17.906 971 HB2 HIS 130 HB2 HIS 130 14.780 -27.475 13.802 972 HB3 HIS 130 HB3 HIS 130 13.729 -28.692 14.515 Start of MODEL 9 1 HA MET 1 HA MET 1 -20.831 -5.962 3.141 2 H1 MET 1 H1 MET 1 -23.017 -5.698 4.121 3 H2 MET 1 H2 MET 1 -23.395 -7.309 3.743 4 H3 MET 1 H3 MET 1 -23.111 -6.191 2.500 5 HB2 MET 1 HB2 MET 1 -21.168 -6.370 5.557 6 HB3 MET 1 HB3 MET 1 -21.489 -8.065 5.220 7 HG2 MET 1 HG2 MET 1 -19.212 -8.312 4.342 8 HG3 MET 1 HG3 MET 1 -18.892 -6.621 4.723 9 HE1 MET 1 HE1 MET 1 -20.900 -9.353 6.753 10 HE2 MET 1 HE2 MET 1 -19.649 -9.922 7.858 11 HE3 MET 1 HE3 MET 1 -19.499 -10.225 6.128 12 H SER 2 H SER 2 -20.754 -6.711 1.024 13 HA SER 2 HA SER 2 -20.297 -9.598 0.793 14 HG SER 2 HG SER 2 -22.325 -7.594 -1.989 15 HB2 SER 2 HB2 SER 2 -21.457 -9.435 -1.492 16 HB3 SER 2 HB3 SER 2 -22.490 -9.418 -0.064 17 H GLN 3 H GLN 3 -19.742 -6.356 -0.428 18 HA GLN 3 HA GLN 3 -17.780 -7.257 -2.362 19 HB2 GLN 3 HB2 GLN 3 -18.323 -4.408 -1.531 20 HB3 GLN 3 HB3 GLN 3 -17.596 -4.971 -3.026 21 HG2 GLN 3 HG2 GLN 3 -19.667 -4.474 -3.789 22 HG3 GLN 3 HG3 GLN 3 -19.943 -6.148 -3.309 23 HE21 GLN 3 HE21 GLN 3 -21.815 -3.927 -3.553 24 HE22 GLN 3 HE22 GLN 3 -22.574 -3.763 -2.005 25 H TRP 4 H TRP 4 -17.474 -7.516 0.667 26 HA TRP 4 HA TRP 4 -15.024 -5.920 1.017 27 HD1 TRP 4 HD1 TRP 4 -19.030 -6.073 2.247 28 HE1 TRP 4 HE1 TRP 4 -19.913 -3.659 2.406 29 HE3 TRP 4 HE3 TRP 4 -14.652 -3.698 3.388 30 HZ2 TRP 4 HZ2 TRP 4 -18.879 -1.091 2.946 31 HZ3 TRP 4 HZ3 TRP 4 -14.687 -1.257 3.713 32 HH2 TRP 4 HH2 TRP 4 -16.755 0.016 3.495 33 HB2 TRP 4 HB2 TRP 4 -16.748 -7.193 3.151 34 HB3 TRP 4 HB3 TRP 4 -15.377 -6.119 3.410 35 H THR 5 H THR 5 -13.295 -7.125 0.529 36 HA THR 5 HA THR 5 -13.262 -9.950 1.281 37 HB THR 5 HB THR 5 -11.010 -9.801 -0.019 38 HG1 THR 5 HG1 THR 5 -11.168 -7.433 -0.117 39 HG21 THR 5 HG21 THR 5 -12.195 -10.160 -2.149 40 HG22 THR 5 HG22 THR 5 -13.674 -9.542 -1.414 41 HG23 THR 5 HG23 THR 5 -12.949 -11.035 -0.818 42 H THR 6 H THR 6 -11.795 -10.792 2.719 43 HA THR 6 HA THR 6 -10.604 -8.940 4.580 44 HB THR 6 HB THR 6 -10.264 -11.943 4.550 45 HG1 THR 6 HG1 THR 6 -12.367 -10.454 5.796 46 HG21 THR 6 HG21 THR 6 -10.234 -9.898 6.780 47 HG22 THR 6 HG22 THR 6 -8.833 -10.743 6.121 48 HG23 THR 6 HG23 THR 6 -10.075 -11.643 6.990 49 H VAL 7 H VAL 7 -8.603 -8.128 4.408 50 HA VAL 7 HA VAL 7 -6.777 -8.972 2.388 51 HB VAL 7 HB VAL 7 -6.224 -7.214 4.791 52 HG11 VAL 7 HG11 VAL 7 -4.754 -7.451 2.169 53 HG12 VAL 7 HG12 VAL 7 -4.198 -8.077 3.722 54 HG13 VAL 7 HG13 VAL 7 -4.370 -6.338 3.483 55 HG21 VAL 7 HG21 VAL 7 -6.604 -5.336 3.242 56 HG22 VAL 7 HG22 VAL 7 -8.053 -6.305 3.511 57 HG23 VAL 7 HG23 VAL 7 -7.136 -6.486 2.015 58 H CYS 8 H CYS 8 -5.809 -8.642 5.765 59 HA CYS 8 HA CYS 8 -5.288 -11.496 5.960 60 HG CYS 8 HG CYS 8 -3.867 -10.983 3.708 61 HB2 CYS 8 HB2 CYS 8 -3.138 -9.420 6.459 62 HB3 CYS 8 HB3 CYS 8 -2.990 -11.141 6.797 63 H LYS 9 H LYS 9 -4.047 -8.858 7.980 64 HA LYS 9 HA LYS 9 -6.141 -9.256 9.955 65 HB2 LYS 9 HB2 LYS 9 -3.252 -9.900 10.581 66 HB3 LYS 9 HB3 LYS 9 -4.504 -9.687 11.793 67 HG2 LYS 9 HG2 LYS 9 -5.736 -11.585 10.752 68 HG3 LYS 9 HG3 LYS 9 -4.337 -11.845 9.710 69 HD2 LYS 9 HD2 LYS 9 -2.942 -12.090 11.766 70 HD3 LYS 9 HD3 LYS 9 -4.429 -12.017 12.715 71 HE2 LYS 9 HE2 LYS 9 -3.791 -14.326 12.379 72 HE3 LYS 9 HE3 LYS 9 -5.275 -13.982 11.488 73 HZ1 LYS 9 HZ1 LYS 9 -4.049 -13.835 9.460 74 HZ2 LYS 9 HZ2 LYS 9 -3.615 -15.288 10.220 75 HZ3 LYS 9 HZ3 LYS 9 -2.565 -13.961 10.273 76 H LEU 10 H LEU 10 -6.259 -7.625 11.496 77 HA LEU 10 HA LEU 10 -4.884 -5.146 10.866 78 HG LEU 10 HG LEU 10 -5.630 -3.791 13.601 79 HB2 LEU 10 HB2 LEU 10 -7.272 -5.142 11.459 80 HB3 LEU 10 HB3 LEU 10 -6.897 -5.849 13.018 81 HD11 LEU 10 HD11 LEU 10 -5.075 -3.040 11.358 82 HD12 LEU 10 HD12 LEU 10 -5.955 -1.787 12.235 83 HD13 LEU 10 HD13 LEU 10 -6.783 -2.756 11.017 84 HD21 LEU 10 HD21 LEU 10 -7.937 -4.080 14.326 85 HD22 LEU 10 HD22 LEU 10 -8.513 -3.381 12.813 86 HD23 LEU 10 HD23 LEU 10 -7.607 -2.388 13.955 87 H ASP 11 H ASP 11 -4.383 -7.844 12.726 88 HA ASP 11 HA ASP 11 -3.008 -6.563 14.935 89 HB2 ASP 11 HB2 ASP 11 -4.409 -8.484 15.434 90 HB3 ASP 11 HB3 ASP 11 -3.546 -9.463 14.256 91 H ASP 12 H ASP 12 -2.345 -8.146 11.937 92 HA ASP 12 HA ASP 12 0.405 -8.756 12.543 93 HB2 ASP 12 HB2 ASP 12 -0.942 -10.199 11.065 94 HB3 ASP 12 HB3 ASP 12 -1.101 -8.875 9.918 95 H ILE 13 H ILE 13 -1.308 -6.051 11.367 96 HA ILE 13 HA ILE 13 0.788 -4.986 9.711 97 HB ILE 13 HB ILE 13 -1.634 -3.567 10.841 98 HG12 ILE 13 HG12 ILE 13 -2.260 -5.482 9.436 99 HG13 ILE 13 HG13 ILE 13 -2.634 -3.965 8.623 100 HG21 ILE 13 HG21 ILE 13 0.251 -2.827 8.606 101 HG22 ILE 13 HG22 ILE 13 0.084 -2.007 10.159 102 HG23 ILE 13 HG23 ILE 13 -1.243 -1.975 8.999 103 HD11 ILE 13 HD11 ILE 13 -0.239 -5.710 8.086 104 HD12 ILE 13 HD12 ILE 13 -0.619 -4.196 7.264 105 HD13 ILE 13 HD13 ILE 13 -1.685 -5.590 7.085 106 H LEU 14 H LEU 14 2.567 -4.047 10.403 107 HA LEU 14 HA LEU 14 2.880 -3.419 13.206 108 HG LEU 14 HG LEU 14 4.157 -5.695 11.526 109 HB2 LEU 14 HB2 LEU 14 4.813 -3.426 10.888 110 HB3 LEU 14 HB3 LEU 14 5.263 -3.076 12.546 111 HD11 LEU 14 HD11 LEU 14 6.378 -6.559 12.051 112 HD12 LEU 14 HD12 LEU 14 6.905 -4.938 12.503 113 HD13 LEU 14 HD13 LEU 14 6.453 -5.286 10.834 114 HD21 LEU 14 HD21 LEU 14 4.675 -6.521 13.788 115 HD22 LEU 14 HD22 LEU 14 3.408 -5.294 13.789 116 HD23 LEU 14 HD23 LEU 14 5.047 -4.871 14.287 117 HA PRO 15 HA PRO 15 2.672 0.992 13.147 118 HB2 PRO 15 HB2 PRO 15 5.394 1.190 14.280 119 HB3 PRO 15 HB3 PRO 15 3.856 1.738 14.951 120 HG2 PRO 15 HG2 PRO 15 5.137 -0.392 15.943 121 HG3 PRO 15 HG3 PRO 15 3.368 -0.324 15.863 122 HD2 PRO 15 HD2 PRO 15 5.291 -1.780 14.102 123 HD3 PRO 15 HD3 PRO 15 3.698 -2.290 14.696 124 H GLY 16 H GLY 16 2.901 2.313 11.472 125 HA2 GLY 16 HA2 GLY 16 3.749 3.339 9.615 126 HA3 GLY 16 HA3 GLY 16 5.319 3.211 10.395 127 H THR 17 H THR 17 3.143 0.622 9.304 128 HA THR 17 HA THR 17 5.015 -0.083 7.182 129 HB THR 17 HB THR 17 4.348 -2.259 9.145 130 HG1 THR 17 HG1 THR 17 5.695 -0.188 9.903 131 HG21 THR 17 HG21 THR 17 6.638 -1.830 7.225 132 HG22 THR 17 HG22 THR 17 5.261 -2.905 6.983 133 HG23 THR 17 HG23 THR 17 6.427 -3.237 8.265 134 H GLY 18 H GLY 18 4.210 -2.201 6.136 135 HA2 GLY 18 HA2 GLY 18 1.703 -3.262 6.308 136 HA3 GLY 18 HA3 GLY 18 1.493 -1.810 5.333 137 H VAL 19 H VAL 19 0.961 -4.264 4.194 138 HA VAL 19 HA VAL 19 3.242 -4.576 2.372 139 HB VAL 19 HB VAL 19 2.748 -7.001 2.188 140 HG11 VAL 19 HG11 VAL 19 3.440 -6.047 4.962 141 HG12 VAL 19 HG12 VAL 19 4.560 -6.261 3.615 142 HG13 VAL 19 HG13 VAL 19 3.757 -7.661 4.327 143 HG21 VAL 19 HG21 VAL 19 0.936 -6.507 4.551 144 HG22 VAL 19 HG22 VAL 19 1.375 -8.089 3.906 145 HG23 VAL 19 HG23 VAL 19 0.425 -6.971 2.928 146 H CYS 20 H CYS 20 2.682 -5.562 0.279 147 HA CYS 20 HA CYS 20 0.181 -4.544 -0.729 148 HG CYS 20 HG CYS 20 3.616 -6.375 -3.312 149 HB2 CYS 20 HB2 CYS 20 1.092 -5.595 -2.895 150 HB3 CYS 20 HB3 CYS 20 1.968 -4.230 -2.212 151 H ALA 21 H ALA 21 -1.624 -5.638 -1.016 152 HA ALA 21 HA ALA 21 -1.556 -8.572 -0.764 153 HB1 ALA 21 HB1 ALA 21 -3.902 -6.717 -0.352 154 HB2 ALA 21 HB2 ALA 21 -2.899 -7.383 0.937 155 HB3 ALA 21 HB3 ALA 21 -3.871 -8.457 -0.070 156 H LEU 22 H LEU 22 -2.026 -9.745 -2.489 157 HA LEU 22 HA LEU 22 -2.880 -8.340 -4.910 158 HG LEU 22 HG LEU 22 -0.863 -10.668 -6.942 159 HB2 LEU 22 HB2 LEU 22 -0.848 -10.044 -4.589 160 HB3 LEU 22 HB3 LEU 22 -2.105 -11.218 -4.917 161 HD11 LEU 22 HD11 LEU 22 -3.204 -11.273 -7.180 162 HD12 LEU 22 HD12 LEU 22 -2.731 -10.093 -8.401 163 HD13 LEU 22 HD13 LEU 22 -3.673 -9.583 -7.000 164 HD21 LEU 22 HD21 LEU 22 -1.010 -8.420 -7.920 165 HD22 LEU 22 HD22 LEU 22 -0.152 -8.425 -6.380 166 HD23 LEU 22 HD23 LEU 22 -1.817 -7.849 -6.459 167 H VAL 23 H VAL 23 -5.084 -8.140 -4.548 168 HA VAL 23 HA VAL 23 -6.573 -10.652 -4.149 169 HB VAL 23 HB VAL 23 -7.517 -7.841 -3.562 170 HG11 VAL 23 HG11 VAL 23 -8.775 -10.512 -2.934 171 HG12 VAL 23 HG12 VAL 23 -9.329 -9.365 -4.152 172 HG13 VAL 23 HG13 VAL 23 -9.396 -8.935 -2.443 173 HG21 VAL 23 HG21 VAL 23 -6.598 -10.006 -1.672 174 HG22 VAL 23 HG22 VAL 23 -7.317 -8.466 -1.199 175 HG23 VAL 23 HG23 VAL 23 -5.756 -8.496 -2.019 176 H GLU 24 H GLU 24 -7.082 -11.375 -6.097 177 HA GLU 24 HA GLU 24 -8.149 -11.615 -8.069 178 HB2 GLU 24 HB2 GLU 24 -9.718 -9.211 -7.129 179 HB3 GLU 24 HB3 GLU 24 -10.177 -10.261 -8.463 180 HG2 GLU 24 HG2 GLU 24 -9.873 -11.112 -5.591 181 HG3 GLU 24 HG3 GLU 24 -11.397 -10.770 -6.404 182 H GLN 25 H GLN 25 -8.498 -8.099 -8.055 183 HA GLN 25 HA GLN 25 -6.530 -7.945 -10.223 184 HB2 GLN 25 HB2 GLN 25 -8.294 -6.098 -11.090 185 HB3 GLN 25 HB3 GLN 25 -8.275 -7.760 -11.650 186 HG2 GLN 25 HG2 GLN 25 -10.528 -7.144 -11.172 187 HG3 GLN 25 HG3 GLN 25 -10.002 -8.310 -9.962 188 HE21 GLN 25 HE21 GLN 25 -11.572 -7.682 -8.505 189 HE22 GLN 25 HE22 GLN 25 -11.496 -6.176 -7.653 190 H GLN 26 H GLN 26 -7.199 -7.010 -7.246 191 HA GLN 26 HA GLN 26 -6.493 -4.185 -7.596 192 HB2 GLN 26 HB2 GLN 26 -7.803 -5.741 -5.393 193 HB3 GLN 26 HB3 GLN 26 -7.030 -4.202 -5.045 194 HG2 GLN 26 HG2 GLN 26 -9.232 -4.623 -7.049 195 HG3 GLN 26 HG3 GLN 26 -9.440 -3.990 -5.416 196 HE21 GLN 26 HE21 GLN 26 -10.058 -2.726 -7.939 197 HE22 GLN 26 HE22 GLN 26 -9.139 -1.262 -7.997 198 H GLN 27 H GLN 27 -4.514 -3.503 -7.154 199 HA GLN 27 HA GLN 27 -2.753 -5.174 -5.507 200 HB2 GLN 27 HB2 GLN 27 -2.084 -2.813 -7.281 201 HB3 GLN 27 HB3 GLN 27 -0.918 -3.756 -6.366 202 HG2 GLN 27 HG2 GLN 27 -1.596 -5.755 -7.683 203 HG3 GLN 27 HG3 GLN 27 -2.604 -4.697 -8.669 204 HE21 GLN 27 HE21 GLN 27 -0.326 -6.323 -9.453 205 HE22 GLN 27 HE22 GLN 27 0.856 -5.243 -10.110 206 H ILE 28 H ILE 28 -3.540 -4.647 -3.493 207 HA ILE 28 HA ILE 28 -3.691 -1.790 -2.803 208 HB ILE 28 HB ILE 28 -4.921 -4.157 -1.378 209 HG12 ILE 28 HG12 ILE 28 -6.223 -2.089 -3.165 210 HG13 ILE 28 HG13 ILE 28 -5.894 -3.757 -3.623 211 HG21 ILE 28 HG21 ILE 28 -6.217 -2.474 -0.154 212 HG22 ILE 28 HG22 ILE 28 -5.319 -1.196 -0.974 213 HG23 ILE 28 HG23 ILE 28 -4.484 -2.297 0.122 214 HD11 ILE 28 HD11 ILE 28 -8.232 -3.413 -3.008 215 HD12 ILE 28 HD12 ILE 28 -7.731 -2.886 -1.400 216 HD13 ILE 28 HD13 ILE 28 -7.432 -4.544 -1.917 217 H ALA 29 H ALA 29 -2.446 -0.955 -1.220 218 HA ALA 29 HA ALA 29 -0.746 -2.831 0.289 219 HB1 ALA 29 HB1 ALA 29 -0.071 -0.030 -0.598 220 HB2 ALA 29 HB2 ALA 29 0.573 -1.521 -1.286 221 HB3 ALA 29 HB3 ALA 29 0.956 -1.079 0.378 222 H VAL 30 H VAL 30 -0.655 -2.605 2.452 223 HA VAL 30 HA VAL 30 -2.583 -0.727 3.628 224 HB VAL 30 HB VAL 30 -1.097 -2.987 4.996 225 HG11 VAL 30 HG11 VAL 30 -3.570 -1.460 5.813 226 HG12 VAL 30 HG12 VAL 30 -1.966 -1.301 6.528 227 HG13 VAL 30 HG13 VAL 30 -2.858 -2.815 6.687 228 HG21 VAL 30 HG21 VAL 30 -2.435 -3.912 3.203 229 HG22 VAL 30 HG22 VAL 30 -3.847 -3.010 3.751 230 HG23 VAL 30 HG23 VAL 30 -3.173 -4.292 4.758 231 H PHE 31 H PHE 31 -1.997 0.764 5.184 232 HA PHE 31 HA PHE 31 0.804 0.902 6.013 233 HD1 PHE 31 HD2 PHE 31 2.691 2.326 5.950 234 HD2 PHE 31 HD1 PHE 31 -0.366 5.277 5.739 235 HE1 PHE 31 HE2 PHE 31 4.162 3.926 7.103 236 HE2 PHE 31 HE1 PHE 31 1.099 6.881 6.886 237 HZ PHE 31 HZ PHE 31 3.364 6.209 7.571 238 HB2 PHE 31 HB2 PHE 31 0.636 2.445 4.131 239 HB3 PHE 31 HB3 PHE 31 -0.772 3.215 4.853 240 H ARG 32 H ARG 32 0.976 1.246 8.153 241 HA ARG 32 HA ARG 32 -1.444 2.144 9.553 242 HE ARG 32 HE ARG 32 -2.833 0.022 13.514 243 HB2 ARG 32 HB2 ARG 32 -0.487 -0.212 9.984 244 HB3 ARG 32 HB3 ARG 32 0.780 0.625 10.872 245 HG2 ARG 32 HG2 ARG 32 -0.833 1.556 12.391 246 HG3 ARG 32 HG3 ARG 32 -2.164 0.870 11.458 247 HD2 ARG 32 HD2 ARG 32 -1.044 -1.392 11.892 248 HD3 ARG 32 HD3 ARG 32 -0.116 -0.546 13.129 249 HH11 ARG 32 HH11 ARG 32 -0.607 -2.670 13.768 250 HH12 ARG 32 HH12 ARG 32 -1.544 -3.493 14.978 251 HH21 ARG 32 HH21 ARG 32 -4.061 -1.051 15.099 252 HH22 ARG 32 HH22 ARG 32 -3.516 -2.574 15.736 253 HA PRO 33 HA PRO 33 1.520 5.558 10.049 254 HB2 PRO 33 HB2 PRO 33 -0.300 7.539 10.326 255 HB3 PRO 33 HB3 PRO 33 0.138 6.859 8.756 256 HG2 PRO 33 HG2 PRO 33 -2.247 6.286 10.468 257 HG3 PRO 33 HG3 PRO 33 -2.157 6.507 8.711 258 HD2 PRO 33 HD2 PRO 33 -2.289 4.062 9.910 259 HD3 PRO 33 HD3 PRO 33 -1.491 4.343 8.350 260 H ARG 34 H ARG 34 -1.459 5.558 12.054 261 HA ARG 34 HA ARG 34 0.041 6.810 14.211 262 HE ARG 34 HE ARG 34 -4.571 6.591 13.942 263 HB2 ARG 34 HB2 ARG 34 -2.885 6.061 14.220 264 HB3 ARG 34 HB3 ARG 34 -2.069 7.229 15.251 265 HG2 ARG 34 HG2 ARG 34 -1.702 8.687 13.339 266 HG3 ARG 34 HG3 ARG 34 -2.473 7.507 12.276 267 HD2 ARG 34 HD2 ARG 34 -3.741 9.077 14.515 268 HD3 ARG 34 HD3 ARG 34 -4.074 9.204 12.789 269 HH11 ARG 34 HH11 ARG 34 -5.925 9.714 13.051 270 HH12 ARG 34 HH12 ARG 34 -7.573 9.152 13.118 271 HH21 ARG 34 HH21 ARG 34 -6.724 5.874 14.070 272 HH22 ARG 34 HH22 ARG 34 -8.020 6.981 13.717 273 H ASN 35 H ASN 35 -0.370 3.750 13.212 274 HA ASN 35 HA ASN 35 -0.129 1.682 14.121 275 HB2 ASN 35 HB2 ASN 35 1.802 2.823 15.242 276 HB3 ASN 35 HB3 ASN 35 0.757 3.139 16.623 277 HD21 ASN 35 HD21 ASN 35 2.006 1.937 18.028 278 HD22 ASN 35 HD22 ASN 35 2.069 0.206 17.965 279 H ASP 36 H ASP 36 -2.666 3.154 14.404 280 HA ASP 36 HA ASP 36 -3.744 1.789 16.778 281 HB2 ASP 36 HB2 ASP 36 -5.518 3.414 16.826 282 HB3 ASP 36 HB3 ASP 36 -3.995 4.288 16.695 283 H GLU 37 H GLU 37 -6.419 1.836 16.101 284 HA GLU 37 HA GLU 37 -6.655 -0.496 14.553 285 HB2 GLU 37 HB2 GLU 37 -8.724 1.499 15.480 286 HB3 GLU 37 HB3 GLU 37 -9.128 0.002 14.658 287 HG2 GLU 37 HG2 GLU 37 -9.412 -0.284 17.019 288 HG3 GLU 37 HG3 GLU 37 -8.055 -1.262 16.472 289 H GLN 38 H GLN 38 -6.804 2.882 13.682 290 HA GLN 38 HA GLN 38 -8.049 2.361 11.132 291 HB2 GLN 38 HB2 GLN 38 -7.024 4.793 12.521 292 HB3 GLN 38 HB3 GLN 38 -7.225 4.844 10.777 293 HG2 GLN 38 HG2 GLN 38 -9.182 5.739 11.815 294 HG3 GLN 38 HG3 GLN 38 -9.587 4.199 11.065 295 HE21 GLN 38 HE21 GLN 38 -10.120 2.451 12.354 296 HE22 GLN 38 HE22 GLN 38 -10.520 2.626 14.031 297 H VAL 39 H VAL 39 -6.882 1.162 9.803 298 HA VAL 39 HA VAL 39 -4.157 2.054 9.161 299 HB VAL 39 HB VAL 39 -3.930 -0.080 7.923 300 HG11 VAL 39 HG11 VAL 39 -3.786 -1.547 9.879 301 HG12 VAL 39 HG12 VAL 39 -4.747 -0.395 10.806 302 HG13 VAL 39 HG13 VAL 39 -3.148 0.061 10.220 303 HG21 VAL 39 HG21 VAL 39 -6.627 -0.735 9.101 304 HG22 VAL 39 HG22 VAL 39 -5.590 -1.850 8.213 305 HG23 VAL 39 HG23 VAL 39 -6.286 -0.449 7.396 306 H TYR 40 H TYR 40 -3.599 2.157 6.854 307 HA TYR 40 HA TYR 40 -5.923 3.020 5.277 308 HD1 TYR 40 HD1 TYR 40 -6.162 5.820 4.325 309 HD2 TYR 40 HD2 TYR 40 -3.411 5.125 7.498 310 HE1 TYR 40 HE1 TYR 40 -7.119 7.714 5.565 311 HE2 TYR 40 HE2 TYR 40 -4.364 7.018 8.746 312 HH TYR 40 HH TYR 40 -7.292 8.477 7.919 313 HB2 TYR 40 HB2 TYR 40 -3.097 4.067 5.351 314 HB3 TYR 40 HB3 TYR 40 -4.179 4.403 4.003 315 H ALA 41 H ALA 41 -6.368 1.155 4.238 316 HA ALA 41 HA ALA 41 -4.243 -0.115 2.714 317 HB1 ALA 41 HB1 ALA 41 -5.897 -1.841 2.186 318 HB2 ALA 41 HB2 ALA 41 -7.142 -0.907 3.016 319 HB3 ALA 41 HB3 ALA 41 -5.788 -1.576 3.925 320 H ILE 42 H ILE 42 -3.785 1.258 1.058 321 HA ILE 42 HA ILE 42 -6.013 2.024 -0.721 322 HB ILE 42 HB ILE 42 -4.846 4.161 -1.167 323 HG12 ILE 42 HG12 ILE 42 -3.078 3.371 1.164 324 HG13 ILE 42 HG13 ILE 42 -2.569 3.407 -0.522 325 HG21 ILE 42 HG21 ILE 42 -5.414 5.252 0.972 326 HG22 ILE 42 HG22 ILE 42 -5.548 3.662 1.724 327 HG23 ILE 42 HG23 ILE 42 -6.658 4.123 0.433 328 HD11 ILE 42 HD11 ILE 42 -1.820 5.383 0.681 329 HD12 ILE 42 HD12 ILE 42 -3.489 5.778 1.091 330 HD13 ILE 42 HD13 ILE 42 -2.962 5.809 -0.593 331 H SER 43 H SER 43 -4.743 3.118 -2.786 332 HA SER 43 HA SER 43 -3.387 0.934 -4.052 333 HG SER 43 HG SER 43 -5.756 2.070 -5.321 334 HB2 SER 43 HB2 SER 43 -3.449 3.693 -5.219 335 HB3 SER 43 HB3 SER 43 -3.688 2.136 -6.014 336 H ASN 44 H ASN 44 -1.845 1.450 -1.936 337 HA ASN 44 HA ASN 44 0.072 3.575 -2.390 338 HB2 ASN 44 HB2 ASN 44 -0.980 2.666 -0.147 339 HB3 ASN 44 HB3 ASN 44 0.352 1.520 -0.231 340 HD21 ASN 44 HD21 ASN 44 1.321 2.350 1.606 341 HD22 ASN 44 HD22 ASN 44 2.107 3.889 1.623 342 H ILE 45 H ILE 45 0.171 1.684 -4.434 343 HA ILE 45 HA ILE 45 2.664 0.198 -3.899 344 HB ILE 45 HB ILE 45 0.404 -0.423 -5.809 345 HG12 ILE 45 HG12 ILE 45 0.043 -1.105 -3.483 346 HG13 ILE 45 HG13 ILE 45 0.259 -2.510 -4.521 347 HG21 ILE 45 HG21 ILE 45 1.709 -2.373 -6.526 348 HG22 ILE 45 HG22 ILE 45 3.076 -1.801 -5.569 349 HG23 ILE 45 HG23 ILE 45 2.505 -0.856 -6.945 350 HD11 ILE 45 HD11 ILE 45 1.448 -2.790 -2.434 351 HD12 ILE 45 HD12 ILE 45 2.340 -1.298 -2.721 352 HD13 ILE 45 HD13 ILE 45 2.584 -2.687 -3.779 353 H ASP 46 H ASP 46 4.393 0.969 -4.886 354 HA ASP 46 HA ASP 46 4.139 2.690 -7.215 355 HB2 ASP 46 HB2 ASP 46 5.839 3.086 -5.360 356 HB3 ASP 46 HB3 ASP 46 6.697 1.669 -5.961 357 HA PRO 47 HA PRO 47 4.117 -0.836 -9.936 358 HB2 PRO 47 HB2 PRO 47 5.009 1.213 -11.896 359 HB3 PRO 47 HB3 PRO 47 3.659 0.079 -11.991 360 HG2 PRO 47 HG2 PRO 47 3.225 2.652 -11.493 361 HG3 PRO 47 HG3 PRO 47 2.285 1.396 -10.660 362 HD2 PRO 47 HD2 PRO 47 4.565 3.052 -9.652 363 HD3 PRO 47 HD3 PRO 47 3.094 2.525 -8.808 364 H PHE 48 H PHE 48 6.852 1.327 -9.566 365 HA PHE 48 HA PHE 48 8.608 -0.249 -11.218 366 HD1 PHE 48 HD1 PHE 48 10.304 0.993 -12.710 367 HD2 PHE 48 HD2 PHE 48 11.532 1.715 -8.698 368 HE1 PHE 48 HE1 PHE 48 12.655 0.728 -13.387 369 HE2 PHE 48 HE2 PHE 48 13.887 1.453 -9.370 370 HZ PHE 48 HZ PHE 48 14.449 0.960 -11.713 371 HB2 PHE 48 HB2 PHE 48 8.854 2.219 -10.933 372 HB3 PHE 48 HB3 PHE 48 9.300 1.949 -9.253 373 H ALA 49 H ALA 49 7.443 -0.508 -8.064 374 HA ALA 49 HA ALA 49 9.727 -2.209 -7.295 375 HB1 ALA 49 HB1 ALA 49 9.199 -1.718 -4.956 376 HB2 ALA 49 HB2 ALA 49 7.880 -0.667 -5.471 377 HB3 ALA 49 HB3 ALA 49 9.548 -0.243 -5.855 378 H GLN 50 H GLN 50 6.263 -1.796 -7.358 379 HA GLN 50 HA GLN 50 4.534 -3.234 -7.418 380 HB2 GLN 50 HB2 GLN 50 6.149 -4.459 -8.994 381 HB3 GLN 50 HB3 GLN 50 6.462 -5.537 -7.643 382 HG2 GLN 50 HG2 GLN 50 4.837 -6.586 -8.992 383 HG3 GLN 50 HG3 GLN 50 3.998 -5.997 -7.560 384 HE21 GLN 50 HE21 GLN 50 4.024 -3.198 -8.571 385 HE22 GLN 50 HE22 GLN 50 2.808 -3.141 -9.798 386 H ALA 51 H ALA 51 6.232 -2.690 -4.954 387 HA ALA 51 HA ALA 51 4.770 -4.527 -3.191 388 HB1 ALA 51 HB1 ALA 51 7.042 -5.434 -3.377 389 HB2 ALA 51 HB2 ALA 51 6.740 -4.801 -1.758 390 HB3 ALA 51 HB3 ALA 51 7.710 -3.873 -2.902 391 H SER 52 H SER 52 4.967 -3.654 -0.866 392 HA SER 52 HA SER 52 4.057 -0.947 -0.973 393 HG SER 52 HG SER 52 4.435 -3.227 2.319 394 HB2 SER 52 HB2 SER 52 3.862 -1.342 1.566 395 HB3 SER 52 HB3 SER 52 2.858 -2.329 0.502 396 H VAL 53 H VAL 53 6.044 0.021 -1.734 397 HA VAL 53 HA VAL 53 8.177 0.262 0.241 398 HB VAL 53 HB VAL 53 9.295 1.704 -1.453 399 HG11 VAL 53 HG11 VAL 53 9.806 -0.098 -3.024 400 HG12 VAL 53 HG12 VAL 53 8.384 -0.985 -2.473 401 HG13 VAL 53 HG13 VAL 53 9.728 -0.700 -1.367 402 HG21 VAL 53 HG21 VAL 53 6.934 0.976 -3.193 403 HG22 VAL 53 HG22 VAL 53 8.384 1.827 -3.722 404 HG23 VAL 53 HG23 VAL 53 7.294 2.584 -2.561 405 H LEU 54 H LEU 54 5.361 1.874 -0.781 406 HA LEU 54 HA LEU 54 6.114 4.452 0.292 407 HG LEU 54 HG LEU 54 5.092 3.370 -2.524 408 HB2 LEU 54 HB2 LEU 54 3.427 3.482 -0.687 409 HB3 LEU 54 HB3 LEU 54 3.890 5.148 -0.395 410 HD11 LEU 54 HD11 LEU 54 2.762 3.911 -2.999 411 HD12 LEU 54 HD12 LEU 54 3.848 4.759 -4.100 412 HD13 LEU 54 HD13 LEU 54 3.101 5.623 -2.755 413 HD21 LEU 54 HD21 LEU 54 5.437 6.303 -1.922 414 HD22 LEU 54 HD22 LEU 54 6.072 5.475 -3.344 415 HD23 LEU 54 HD23 LEU 54 6.654 5.043 -1.735 416 H SER 55 H SER 55 4.732 1.542 1.390 417 HA SER 55 HA SER 55 3.222 2.665 3.570 418 HG SER 55 HG SER 55 1.484 0.131 2.677 419 HB2 SER 55 HB2 SER 55 4.049 -0.195 3.014 420 HB3 SER 55 HB3 SER 55 2.875 0.317 4.227 421 H ARG 56 H ARG 56 6.338 2.761 3.126 422 HA ARG 56 HA ARG 56 6.933 2.685 5.960 423 HE ARG 56 HE ARG 56 8.133 -1.304 1.858 424 HB2 ARG 56 HB2 ARG 56 9.146 1.449 5.351 425 HB3 ARG 56 HB3 ARG 56 7.680 0.512 5.601 426 HG2 ARG 56 HG2 ARG 56 7.352 0.460 3.147 427 HG3 ARG 56 HG3 ARG 56 8.895 1.296 2.958 428 HD2 ARG 56 HD2 ARG 56 10.104 -0.530 3.836 429 HD3 ARG 56 HD3 ARG 56 8.646 -1.295 4.465 430 HH11 ARG 56 HH11 ARG 56 11.073 -2.148 3.578 431 HH12 ARG 56 HH12 ARG 56 11.541 -3.375 2.432 432 HH21 ARG 56 HH21 ARG 56 8.739 -2.925 0.366 433 HH22 ARG 56 HH22 ARG 56 10.208 -3.823 0.602 434 H GLY 57 H GLY 57 6.574 4.717 3.986 435 HA2 GLY 57 HA2 GLY 57 9.282 5.731 3.504 436 HA3 GLY 57 HA3 GLY 57 7.806 6.344 2.772 437 H ILE 58 H ILE 58 8.034 8.469 3.331 438 HA ILE 58 HA ILE 58 8.585 9.126 6.134 439 HB ILE 58 HB ILE 58 8.616 10.877 3.665 440 HG12 ILE 58 HG12 ILE 58 11.079 11.100 4.369 441 HG13 ILE 58 HG13 ILE 58 10.792 9.693 5.388 442 HG21 ILE 58 HG21 ILE 58 9.229 11.595 6.526 443 HG22 ILE 58 HG22 ILE 58 7.873 12.178 5.559 444 HG23 ILE 58 HG23 ILE 58 9.522 12.632 5.129 445 HD11 ILE 58 HD11 ILE 58 11.821 9.085 3.270 446 HD12 ILE 58 HD12 ILE 58 10.461 9.794 2.398 447 HD13 ILE 58 HD13 ILE 58 10.210 8.383 3.425 448 H VAL 59 H VAL 59 7.031 9.699 7.435 449 HA VAL 59 HA VAL 59 4.390 10.352 6.417 450 HB VAL 59 HB VAL 59 5.401 10.031 9.248 451 HG11 VAL 59 HG11 VAL 59 3.440 11.492 9.148 452 HG12 VAL 59 HG12 VAL 59 3.040 9.946 9.896 453 HG13 VAL 59 HG13 VAL 59 2.566 10.264 8.227 454 HG21 VAL 59 HG21 VAL 59 5.502 7.947 8.036 455 HG22 VAL 59 HG22 VAL 59 3.841 8.153 7.480 456 HG23 VAL 59 HG23 VAL 59 4.174 7.892 9.193 457 H ALA 60 H ALA 60 4.272 12.395 5.707 458 HA ALA 60 HA ALA 60 5.558 14.527 7.264 459 HB1 ALA 60 HB1 ALA 60 6.201 14.370 4.903 460 HB2 ALA 60 HB2 ALA 60 5.380 15.892 5.254 461 HB3 ALA 60 HB3 ALA 60 4.516 14.592 4.434 462 H GLU 61 H GLU 61 4.224 15.357 8.723 463 HA GLU 61 HA GLU 61 1.373 15.535 8.233 464 HB2 GLU 61 HB2 GLU 61 2.183 14.937 10.469 465 HB3 GLU 61 HB3 GLU 61 3.052 16.460 10.577 466 HG2 GLU 61 HG2 GLU 61 0.851 17.633 10.372 467 HG3 GLU 61 HG3 GLU 61 0.073 16.057 10.508 468 H HIS 62 H HIS 62 0.527 17.172 7.164 469 HA HIS 62 HA HIS 62 1.990 19.715 7.079 470 HD2 HIS 62 HD2 HIS 62 -1.502 21.055 4.855 471 HE1 HIS 62 HE1 HIS 62 1.893 23.177 3.479 472 HE2 HIS 62 HE2 HIS 62 -0.593 23.323 3.978 473 HB2 HIS 62 HB2 HIS 62 1.523 18.670 4.898 474 HB3 HIS 62 HB3 HIS 62 -0.198 18.678 5.260 475 H GLN 63 H GLN 63 1.315 20.536 9.023 476 HA GLN 63 HA GLN 63 0.066 21.781 10.421 477 HB2 GLN 63 HB2 GLN 63 -1.779 22.064 8.042 478 HB3 GLN 63 HB3 GLN 63 -1.846 23.043 9.502 479 HG2 GLN 63 HG2 GLN 63 0.432 23.846 9.043 480 HG3 GLN 63 HG3 GLN 63 0.445 22.905 7.555 481 HE21 GLN 63 HE21 GLN 63 -0.832 25.686 9.179 482 HE22 GLN 63 HE22 GLN 63 -1.475 26.467 7.767 483 H ASP 64 H ASP 64 -2.740 20.507 8.671 484 HA ASP 64 HA ASP 64 -3.506 19.082 11.142 485 HB2 ASP 64 HB2 ASP 64 -5.049 20.884 10.690 486 HB3 ASP 64 HB3 ASP 64 -5.216 20.386 9.011 487 H ASP 65 H ASP 65 -2.787 18.834 7.818 488 HA ASP 65 HA ASP 65 -4.287 16.365 7.434 489 HB2 ASP 65 HB2 ASP 65 -2.758 18.171 5.574 490 HB3 ASP 65 HB3 ASP 65 -3.331 16.585 5.071 491 H LEU 66 H LEU 66 -3.333 14.464 6.649 492 HA LEU 66 HA LEU 66 -0.505 14.144 7.399 493 HG LEU 66 HG LEU 66 -2.754 13.588 9.412 494 HB2 LEU 66 HB2 LEU 66 -2.753 12.128 7.413 495 HB3 LEU 66 HB3 LEU 66 -1.074 11.735 7.721 496 HD11 LEU 66 HD11 LEU 66 -3.482 11.258 9.572 497 HD12 LEU 66 HD12 LEU 66 -2.701 11.793 11.061 498 HD13 LEU 66 HD13 LEU 66 -1.825 10.766 9.926 499 HD21 LEU 66 HD21 LEU 66 -0.882 13.496 10.966 500 HD22 LEU 66 HD22 LEU 66 -0.367 14.148 9.410 501 HD23 LEU 66 HD23 LEU 66 0.019 12.483 9.842 502 H TRP 67 H TRP 67 0.801 13.938 5.742 503 HA TRP 67 HA TRP 67 -0.202 12.657 3.279 504 HD1 TRP 67 HD1 TRP 67 -0.027 16.106 5.087 505 HE1 TRP 67 HE1 TRP 67 -1.766 17.806 4.260 506 HE3 TRP 67 HE3 TRP 67 -0.108 14.873 0.113 507 HZ2 TRP 67 HZ2 TRP 67 -3.014 18.530 1.849 508 HZ3 TRP 67 HZ3 TRP 67 -1.607 16.121 -1.380 509 HH2 TRP 67 HH2 TRP 67 -3.034 17.915 -0.530 510 HB2 TRP 67 HB2 TRP 67 1.950 14.785 3.451 511 HB3 TRP 67 HB3 TRP 67 1.241 14.112 1.989 512 H VAL 68 H VAL 68 1.279 11.297 2.171 513 HA VAL 68 HA VAL 68 3.620 10.554 3.788 514 HB VAL 68 HB VAL 68 2.082 8.696 3.601 515 HG11 VAL 68 HG11 VAL 68 1.479 7.709 1.457 516 HG12 VAL 68 HG12 VAL 68 2.323 9.010 0.617 517 HG13 VAL 68 HG13 VAL 68 0.898 9.370 1.591 518 HG21 VAL 68 HG21 VAL 68 3.556 7.018 2.562 519 HG22 VAL 68 HG22 VAL 68 4.440 8.143 3.593 520 HG23 VAL 68 HG23 VAL 68 4.504 8.319 1.840 521 H ALA 69 H ALA 69 5.564 10.823 2.968 522 HA ALA 69 HA ALA 69 5.793 12.023 0.330 523 HB1 ALA 69 HB1 ALA 69 6.978 13.037 2.225 524 HB2 ALA 69 HB2 ALA 69 8.096 12.503 0.968 525 HB3 ALA 69 HB3 ALA 69 7.899 11.548 2.438 526 H SER 70 H SER 70 5.999 10.735 -1.359 527 HA SER 70 HA SER 70 6.785 8.036 -1.267 528 HG SER 70 HG SER 70 6.388 7.306 -4.084 529 HB2 SER 70 HB2 SER 70 5.462 8.935 -3.125 530 HB3 SER 70 HB3 SER 70 6.803 9.980 -3.596 531 HA PRO 71 HA PRO 71 11.153 8.860 -0.672 532 HB2 PRO 71 HB2 PRO 71 11.933 6.255 -0.581 533 HB3 PRO 71 HB3 PRO 71 11.181 7.085 0.786 534 HG2 PRO 71 HG2 PRO 71 9.953 5.235 -1.220 535 HG3 PRO 71 HG3 PRO 71 9.703 5.309 0.535 536 HD2 PRO 71 HD2 PRO 71 7.949 6.369 -1.233 537 HD3 PRO 71 HD3 PRO 71 8.222 7.068 0.376 538 H LEU 72 H LEU 72 9.588 7.463 -3.313 539 HA LEU 72 HA LEU 72 12.099 7.255 -4.833 540 HG LEU 72 HG LEU 72 10.725 4.775 -3.577 541 HB2 LEU 72 HB2 LEU 72 9.433 5.929 -5.323 542 HB3 LEU 72 HB3 LEU 72 10.806 5.825 -6.405 543 HD11 LEU 72 HD11 LEU 72 9.328 3.481 -5.088 544 HD12 LEU 72 HD12 LEU 72 10.774 2.571 -4.646 545 HD13 LEU 72 HD13 LEU 72 10.665 3.341 -6.229 546 HD21 LEU 72 HD21 LEU 72 12.957 5.519 -4.209 547 HD22 LEU 72 HD22 LEU 72 12.867 4.572 -5.694 548 HD23 LEU 72 HD23 LEU 72 12.883 3.759 -4.128 549 H LYS 73 H LYS 73 8.689 8.257 -5.116 550 HA LYS 73 HA LYS 73 9.342 9.660 -7.586 551 HB2 LYS 73 HB2 LYS 73 6.668 9.184 -6.258 552 HB3 LYS 73 HB3 LYS 73 6.912 9.914 -7.844 553 HG2 LYS 73 HG2 LYS 73 7.737 7.121 -7.073 554 HG3 LYS 73 HG3 LYS 73 6.293 7.544 -7.994 555 HD2 LYS 73 HD2 LYS 73 7.496 8.134 -9.868 556 HD3 LYS 73 HD3 LYS 73 8.960 8.488 -8.949 557 HE2 LYS 73 HE2 LYS 73 9.160 6.447 -10.327 558 HE3 LYS 73 HE3 LYS 73 9.363 6.131 -8.607 559 HZ1 LYS 73 HZ1 LYS 73 6.834 5.692 -10.103 560 HZ2 LYS 73 HZ2 LYS 73 7.148 5.260 -8.488 561 HZ3 LYS 73 HZ3 LYS 73 7.961 4.480 -9.748 562 H LYS 74 H LYS 74 9.208 10.351 -4.325 563 HA LYS 74 HA LYS 74 9.788 12.255 -3.237 564 HB2 LYS 74 HB2 LYS 74 11.227 12.447 -5.329 565 HB3 LYS 74 HB3 LYS 74 10.025 13.570 -5.940 566 HG2 LYS 74 HG2 LYS 74 10.475 15.105 -4.135 567 HG3 LYS 74 HG3 LYS 74 11.584 13.948 -3.388 568 HD2 LYS 74 HD2 LYS 74 11.937 15.162 -6.130 569 HD3 LYS 74 HD3 LYS 74 12.750 15.714 -4.664 570 HE2 LYS 74 HE2 LYS 74 13.958 13.688 -4.455 571 HE3 LYS 74 HE3 LYS 74 12.954 12.878 -5.655 572 HZ1 LYS 74 HZ1 LYS 74 15.200 13.577 -6.449 573 HZ2 LYS 74 HZ2 LYS 74 14.700 15.193 -6.292 574 HZ3 LYS 74 HZ3 LYS 74 13.912 14.163 -7.378 575 H GLN 75 H GLN 75 6.947 11.812 -4.544 576 HA GLN 75 HA GLN 75 5.973 14.561 -4.232 577 HB2 GLN 75 HB2 GLN 75 3.898 13.728 -5.308 578 HB3 GLN 75 HB3 GLN 75 5.321 13.548 -6.322 579 HG2 GLN 75 HG2 GLN 75 5.448 11.167 -5.574 580 HG3 GLN 75 HG3 GLN 75 3.892 11.401 -4.781 581 HE21 GLN 75 HE21 GLN 75 4.724 12.943 -7.804 582 HE22 GLN 75 HE22 GLN 75 3.648 12.013 -8.785 583 H HIS 76 H HIS 76 4.150 15.012 -2.920 584 HA HIS 76 HA HIS 76 3.905 13.147 -0.645 585 HD1 HIS 76 HD1 HIS 76 5.998 16.336 -1.512 586 HD2 HIS 76 HD2 HIS 76 5.213 14.772 2.267 587 HE1 HIS 76 HE1 HIS 76 8.167 16.497 -0.241 588 HE2 HIS 76 HE2 HIS 76 7.652 15.630 2.070 589 HB2 HIS 76 HB2 HIS 76 3.420 16.132 -0.826 590 HB3 HIS 76 HB3 HIS 76 3.077 15.163 0.601 591 H PHE 77 H PHE 77 2.115 11.893 -0.929 592 HA PHE 77 HA PHE 77 -0.303 13.289 -1.836 593 HD1 PHE 77 HD2 PHE 77 2.493 10.651 -2.830 594 HD2 PHE 77 HD1 PHE 77 -1.181 8.964 -1.489 595 HE1 PHE 77 HE2 PHE 77 3.629 8.509 -2.416 596 HE2 PHE 77 HE1 PHE 77 -0.051 6.818 -1.088 597 HZ PHE 77 HZ PHE 77 2.357 6.590 -1.550 598 HB2 PHE 77 HB2 PHE 77 -1.183 11.046 -2.503 599 HB3 PHE 77 HB3 PHE 77 0.197 11.603 -3.433 600 H ARG 78 H ARG 78 -2.211 13.031 -0.780 601 HA ARG 78 HA ARG 78 -1.881 12.522 2.057 602 HE ARG 78 HE ARG 78 -5.634 14.951 0.754 603 HB2 ARG 78 HB2 ARG 78 -2.963 14.586 1.281 604 HB3 ARG 78 HB3 ARG 78 -4.207 13.640 0.480 605 HG2 ARG 78 HG2 ARG 78 -5.142 12.950 2.535 606 HG3 ARG 78 HG3 ARG 78 -3.741 13.520 3.447 607 HD2 ARG 78 HD2 ARG 78 -5.793 14.993 3.547 608 HD3 ARG 78 HD3 ARG 78 -4.296 15.790 3.070 609 HH11 ARG 78 HH11 ARG 78 -6.083 17.260 3.363 610 HH12 ARG 78 HH12 ARG 78 -6.910 18.410 2.349 611 HH21 ARG 78 HH21 ARG 78 -6.711 16.462 -0.559 612 HH22 ARG 78 HH22 ARG 78 -7.243 17.972 0.132 613 H LEU 79 H LEU 79 -2.495 10.751 3.049 614 HA LEU 79 HA LEU 79 -3.131 8.404 1.770 615 HG LEU 79 HG LEU 79 -1.338 9.381 4.057 616 HB2 LEU 79 HB2 LEU 79 -3.766 9.163 4.621 617 HB3 LEU 79 HB3 LEU 79 -3.720 7.526 3.997 618 HD11 LEU 79 HD11 LEU 79 -2.053 8.855 6.318 619 HD12 LEU 79 HD12 LEU 79 -0.561 8.001 5.929 620 HD13 LEU 79 HD13 LEU 79 -2.098 7.136 5.922 621 HD21 LEU 79 HD21 LEU 79 -1.580 6.423 3.512 622 HD22 LEU 79 HD22 LEU 79 -0.073 7.335 3.615 623 HD23 LEU 79 HD23 LEU 79 -1.223 7.676 2.322 624 H TYR 80 H TYR 80 -5.412 10.375 3.665 625 HA TYR 80 HA TYR 80 -7.637 8.765 2.732 626 HD1 TYR 80 HD1 TYR 80 -5.707 10.140 5.950 627 HD2 TYR 80 HD2 TYR 80 -8.577 12.772 4.233 628 HE1 TYR 80 HE1 TYR 80 -4.585 12.047 7.017 629 HE2 TYR 80 HE2 TYR 80 -7.457 14.688 5.296 630 HH TYR 80 HH TYR 80 -5.979 15.120 7.217 631 HB2 TYR 80 HB2 TYR 80 -8.945 10.372 4.247 632 HB3 TYR 80 HB3 TYR 80 -7.798 9.284 5.019 633 H ASP 81 H ASP 81 -6.339 10.239 0.690 634 HA ASP 81 HA ASP 81 -8.612 11.770 -0.279 635 HB2 ASP 81 HB2 ASP 81 -7.169 13.420 0.915 636 HB3 ASP 81 HB3 ASP 81 -5.862 13.021 -0.194 637 H GLY 82 H GLY 82 -5.226 10.914 -0.970 638 HA2 GLY 82 HA2 GLY 82 -4.711 9.290 -2.654 639 HA3 GLY 82 HA3 GLY 82 -6.160 9.774 -3.518 640 H PHE 83 H PHE 83 -5.428 12.657 -3.021 641 HA PHE 83 HA PHE 83 -3.880 12.899 -5.457 642 HD1 PHE 83 HD1 PHE 83 -5.440 13.835 -7.276 643 HD2 PHE 83 HD2 PHE 83 -7.434 14.494 -3.576 644 HE1 PHE 83 HE1 PHE 83 -7.580 13.220 -8.324 645 HE2 PHE 83 HE2 PHE 83 -9.577 13.883 -4.615 646 HZ PHE 83 HZ PHE 83 -9.651 13.243 -6.989 647 HB2 PHE 83 HB2 PHE 83 -5.193 15.028 -3.755 648 HB3 PHE 83 HB3 PHE 83 -4.479 15.279 -5.349 649 H CYS 84 H CYS 84 -1.990 14.163 -5.672 650 HA CYS 84 HA CYS 84 -0.294 13.869 -3.301 651 HG CYS 84 HG CYS 84 0.247 11.087 -4.997 652 HB2 CYS 84 HB2 CYS 84 0.727 14.261 -6.095 653 HB3 CYS 84 HB3 CYS 84 1.488 13.429 -4.742 654 H LEU 85 H LEU 85 -1.786 16.148 -3.244 655 HA LEU 85 HA LEU 85 -1.685 18.385 -2.929 656 HG LEU 85 HG LEU 85 0.751 20.314 -2.937 657 HB2 LEU 85 HB2 LEU 85 0.208 17.705 -1.509 658 HB3 LEU 85 HB3 LEU 85 1.294 17.894 -2.873 659 HD11 LEU 85 HD11 LEU 85 -0.431 21.329 -1.066 660 HD12 LEU 85 HD12 LEU 85 -0.755 19.732 -0.392 661 HD13 LEU 85 HD13 LEU 85 -1.471 20.200 -1.934 662 HD21 LEU 85 HD21 LEU 85 1.995 20.913 -0.909 663 HD22 LEU 85 HD22 LEU 85 2.724 19.542 -1.746 664 HD23 LEU 85 HD23 LEU 85 1.766 19.277 -0.291 665 H GLU 86 H GLU 86 1.423 18.582 -4.518 666 HA GLU 86 HA GLU 86 0.138 20.285 -6.545 667 HB2 GLU 86 HB2 GLU 86 2.886 20.372 -5.310 668 HB3 GLU 86 HB3 GLU 86 2.469 21.286 -6.754 669 HG2 GLU 86 HG2 GLU 86 0.951 21.530 -4.176 670 HG3 GLU 86 HG3 GLU 86 2.351 22.526 -4.566 671 H ASP 87 H ASP 87 2.244 17.558 -6.072 672 HA ASP 87 HA ASP 87 2.590 17.365 -8.990 673 HB2 ASP 87 HB2 ASP 87 4.716 17.490 -7.726 674 HB3 ASP 87 HB3 ASP 87 4.248 16.060 -6.812 675 H GLY 88 H GLY 88 0.438 16.538 -9.111 676 HA2 GLY 88 HA2 GLY 88 -0.180 14.138 -7.575 677 HA3 GLY 88 HA3 GLY 88 -1.305 15.073 -8.544 678 H ALA 89 H ALA 89 1.643 13.149 -9.015 679 HA ALA 89 HA ALA 89 0.737 12.272 -11.610 680 HB1 ALA 89 HB1 ALA 89 2.795 11.003 -11.713 681 HB2 ALA 89 HB2 ALA 89 3.097 11.306 -10.002 682 HB3 ALA 89 HB3 ALA 89 3.126 12.641 -11.154 683 H TYR 90 H TYR 90 1.534 10.562 -8.571 684 HA TYR 90 HA TYR 90 0.006 8.263 -9.491 685 HD1 TYR 90 HD2 TYR 90 3.369 9.323 -9.123 686 HD2 TYR 90 HD1 TYR 90 1.761 5.447 -8.435 687 HE1 TYR 90 HE2 TYR 90 5.147 8.346 -10.513 688 HE2 TYR 90 HE1 TYR 90 3.533 4.460 -9.820 689 HH TYR 90 HH TYR 90 5.061 5.213 -11.692 690 HB2 TYR 90 HB2 TYR 90 1.804 8.705 -7.106 691 HB3 TYR 90 HB3 TYR 90 0.843 7.244 -7.313 692 H SER 91 H SER 91 -1.957 9.576 -9.425 693 HA SER 91 HA SER 91 -3.080 10.314 -6.902 694 HG SER 91 HG SER 91 -2.681 11.648 -8.949 695 HB2 SER 91 HB2 SER 91 -4.543 9.801 -9.502 696 HB3 SER 91 HB3 SER 91 -5.087 10.793 -8.148 697 H VAL 92 H VAL 92 -3.291 8.692 -5.459 698 HA VAL 92 HA VAL 92 -4.094 6.043 -6.350 699 HB VAL 92 HB VAL 92 -3.596 5.300 -4.084 700 HG11 VAL 92 HG11 VAL 92 -1.470 7.131 -5.184 701 HG12 VAL 92 HG12 VAL 92 -1.754 5.458 -5.662 702 HG13 VAL 92 HG13 VAL 92 -1.203 5.827 -4.028 703 HG21 VAL 92 HG21 VAL 92 -2.752 6.832 -2.381 704 HG22 VAL 92 HG22 VAL 92 -4.392 7.272 -2.862 705 HG23 VAL 92 HG23 VAL 92 -3.017 8.198 -3.465 706 H ALA 93 H ALA 93 -5.709 4.839 -4.956 707 HA ALA 93 HA ALA 93 -7.987 6.615 -4.390 708 HB1 ALA 93 HB1 ALA 93 -8.373 5.077 -6.250 709 HB2 ALA 93 HB2 ALA 93 -9.424 4.703 -4.884 710 HB3 ALA 93 HB3 ALA 93 -8.002 3.710 -5.200 711 H ALA 94 H ALA 94 -8.953 6.540 -2.449 712 HA ALA 94 HA ALA 94 -7.692 4.878 -0.395 713 HB1 ALA 94 HB1 ALA 94 -8.769 6.391 1.208 714 HB2 ALA 94 HB2 ALA 94 -9.539 7.254 -0.124 715 HB3 ALA 94 HB3 ALA 94 -7.783 7.279 0.047 716 H TYR 95 H TYR 95 -8.662 2.938 -0.713 717 HA TYR 95 HA TYR 95 -11.415 2.550 -1.229 718 HD1 TYR 95 HD2 TYR 95 -10.862 1.507 -3.382 719 HD2 TYR 95 HD1 TYR 95 -7.550 0.108 -1.107 720 HE1 TYR 95 HE2 TYR 95 -9.496 1.420 -5.426 721 HE2 TYR 95 HE1 TYR 95 -6.179 0.021 -3.143 722 HH TYR 95 HH TYR 95 -6.803 -0.261 -5.765 723 HB2 TYR 95 HB2 TYR 95 -9.525 0.524 -0.023 724 HB3 TYR 95 HB3 TYR 95 -10.976 0.205 -0.966 725 H ASP 96 H ASP 96 -12.990 1.546 0.159 726 HA ASP 96 HA ASP 96 -12.879 2.625 2.846 727 HB2 ASP 96 HB2 ASP 96 -14.925 2.659 1.280 728 HB3 ASP 96 HB3 ASP 96 -15.115 0.960 1.698 729 H THR 97 H THR 97 -12.960 1.413 4.733 730 HA THR 97 HA THR 97 -12.351 -1.456 4.460 731 HB THR 97 HB THR 97 -10.580 -1.126 6.242 732 HG1 THR 97 HG1 THR 97 -11.052 1.594 5.532 733 HG21 THR 97 HG21 THR 97 -8.859 -0.323 4.668 734 HG22 THR 97 HG22 THR 97 -10.133 0.223 3.578 735 HG23 THR 97 HG23 THR 97 -9.944 -1.495 3.921 736 H GLN 98 H GLN 98 -13.264 -2.722 6.031 737 HA GLN 98 HA GLN 98 -14.592 -1.333 8.261 738 HB2 GLN 98 HB2 GLN 98 -15.000 -4.139 7.234 739 HB3 GLN 98 HB3 GLN 98 -15.832 -3.443 8.609 740 HG2 GLN 98 HG2 GLN 98 -16.765 -1.715 7.056 741 HG3 GLN 98 HG3 GLN 98 -16.086 -2.652 5.723 742 HE21 GLN 98 HE21 GLN 98 -18.510 -2.529 8.200 743 HE22 GLN 98 HE22 GLN 98 -19.442 -3.876 7.637 744 H VAL 99 H VAL 99 -14.160 -1.847 10.352 745 HA VAL 99 HA VAL 99 -11.908 -3.659 10.853 746 HB VAL 99 HB VAL 99 -13.234 -1.768 12.815 747 HG11 VAL 99 HG11 VAL 99 -12.054 -3.620 13.864 748 HG12 VAL 99 HG12 VAL 99 -11.199 -2.102 14.136 749 HG13 VAL 99 HG13 VAL 99 -10.607 -3.244 12.929 750 HG21 VAL 99 HG21 VAL 99 -12.247 -0.482 10.998 751 HG22 VAL 99 HG22 VAL 99 -10.726 -1.353 11.187 752 HG23 VAL 99 HG23 VAL 99 -11.300 -0.293 12.474 753 H THR 100 H THR 100 -13.248 -5.478 10.385 754 HA THR 100 HA THR 100 -15.684 -5.929 11.798 755 HB THR 100 HB THR 100 -15.300 -8.299 10.729 756 HG1 THR 100 HG1 THR 100 -13.183 -8.139 10.078 757 HG21 THR 100 HG21 THR 100 -16.189 -7.450 8.596 758 HG22 THR 100 HG22 THR 100 -15.750 -5.809 9.075 759 HG23 THR 100 HG23 THR 100 -16.981 -6.692 9.978 760 H ASN 101 H ASN 101 -12.376 -6.873 12.202 761 HA ASN 101 HA ASN 101 -12.806 -7.791 14.872 762 HB2 ASN 101 HB2 ASN 101 -13.499 -9.753 13.288 763 HB3 ASN 101 HB3 ASN 101 -11.772 -9.906 12.978 764 HD21 ASN 101 HD21 ASN 101 -14.319 -10.316 15.274 765 HD22 ASN 101 HD22 ASN 101 -13.402 -11.192 16.454 766 H GLY 102 H GLY 102 -10.335 -9.507 14.666 767 HA2 GLY 102 HA2 GLY 102 -8.357 -7.406 14.647 768 HA3 GLY 102 HA3 GLY 102 -8.057 -9.120 14.908 769 H ASN 103 H ASN 103 -9.693 -7.615 12.187 770 HA ASN 103 HA ASN 103 -7.502 -8.240 10.385 771 HB2 ASN 103 HB2 ASN 103 -9.086 -9.492 8.857 772 HB3 ASN 103 HB3 ASN 103 -8.633 -10.347 10.325 773 HD21 ASN 103 HD21 ASN 103 -10.424 -11.660 10.265 774 HD22 ASN 103 HD22 ASN 103 -12.018 -11.094 10.620 775 H VAL 104 H VAL 104 -7.996 -7.449 8.153 776 HA VAL 104 HA VAL 104 -9.698 -5.049 8.305 777 HB VAL 104 HB VAL 104 -7.190 -5.398 6.644 778 HG11 VAL 104 HG11 VAL 104 -8.892 -2.963 7.155 779 HG12 VAL 104 HG12 VAL 104 -8.815 -3.879 5.648 780 HG13 VAL 104 HG13 VAL 104 -7.395 -3.005 6.224 781 HG21 VAL 104 HG21 VAL 104 -6.629 -5.294 9.009 782 HG22 VAL 104 HG22 VAL 104 -7.601 -3.833 9.191 783 HG23 VAL 104 HG23 VAL 104 -6.147 -3.807 8.192 784 H GLN 105 H GLN 105 -11.347 -5.003 6.918 785 HA GLN 105 HA GLN 105 -11.149 -6.633 4.470 786 HB2 GLN 105 HB2 GLN 105 -13.634 -5.887 6.021 787 HB3 GLN 105 HB3 GLN 105 -13.611 -6.787 4.512 788 HG2 GLN 105 HG2 GLN 105 -12.255 -8.532 5.662 789 HG3 GLN 105 HG3 GLN 105 -12.512 -7.658 7.171 790 HE21 GLN 105 HE21 GLN 105 -15.237 -6.875 6.343 791 HE22 GLN 105 HE22 GLN 105 -16.201 -8.290 6.560 792 H ILE 106 H ILE 106 -10.936 -5.451 2.705 793 HA ILE 106 HA ILE 106 -11.845 -2.672 2.724 794 HB ILE 106 HB ILE 106 -10.463 -2.237 0.854 795 HG12 ILE 106 HG12 ILE 106 -11.021 -4.354 -0.395 796 HG13 ILE 106 HG13 ILE 106 -9.339 -3.856 -0.503 797 HG21 ILE 106 HG21 ILE 106 -8.973 -4.109 2.684 798 HG22 ILE 106 HG22 ILE 106 -9.269 -2.392 2.955 799 HG23 ILE 106 HG23 ILE 106 -8.238 -2.908 1.620 800 HD11 ILE 106 HD11 ILE 106 -10.438 -6.042 1.250 801 HD12 ILE 106 HD12 ILE 106 -8.752 -5.530 1.190 802 HD13 ILE 106 HD13 ILE 106 -9.505 -6.251 -0.233 803 H SER 107 H SER 107 -13.143 -1.835 1.030 804 HA SER 107 HA SER 107 -14.972 -3.798 -0.088 805 HG SER 107 HG SER 107 -17.001 -2.859 -0.571 806 HB2 SER 107 HB2 SER 107 -15.733 -1.605 0.961 807 HB3 SER 107 HB3 SER 107 -15.062 -0.795 -0.454 808 H ILE 108 H ILE 108 -14.822 -4.562 -2.076 809 HA ILE 108 HA ILE 108 -12.653 -3.858 -3.761 810 HB ILE 108 HB ILE 108 -15.087 -5.503 -4.476 811 HG12 ILE 108 HG12 ILE 108 -12.397 -6.395 -3.407 812 HG13 ILE 108 HG13 ILE 108 -13.896 -6.375 -2.486 813 HG21 ILE 108 HG21 ILE 108 -12.339 -5.369 -5.717 814 HG22 ILE 108 HG22 ILE 108 -13.832 -4.748 -6.422 815 HG23 ILE 108 HG23 ILE 108 -13.623 -6.483 -6.188 816 HD11 ILE 108 HD11 ILE 108 -13.371 -8.032 -4.940 817 HD12 ILE 108 HD12 ILE 108 -14.859 -8.025 -3.992 818 HD13 ILE 108 HD13 ILE 108 -13.357 -8.612 -3.274 819 H ALA 109 H ALA 109 -12.802 -1.702 -4.334 820 HA ALA 109 HA ALA 109 -15.030 -0.766 -5.910 821 HB1 ALA 109 HB1 ALA 109 -13.636 1.211 -6.304 822 HB2 ALA 109 HB2 ALA 109 -12.267 0.405 -5.541 823 HB3 ALA 109 HB3 ALA 109 -13.692 0.814 -4.586 824 H ASP 110 H ASP 110 -15.078 -0.630 -8.178 825 HA ASP 110 HA ASP 110 -13.505 -2.661 -9.453 826 HB2 ASP 110 HB2 ASP 110 -14.849 -2.387 -11.357 827 HB3 ASP 110 HB3 ASP 110 -15.933 -2.080 -10.011 828 H SER 111 H SER 111 -11.891 -2.448 -10.857 829 HA SER 111 HA SER 111 -11.044 0.137 -11.815 830 HG SER 111 HG SER 111 -10.949 0.431 -9.457 831 HB2 SER 111 HB2 SER 111 -9.204 -1.529 -10.073 832 HB3 SER 111 HB3 SER 111 -8.771 -0.038 -10.908 833 H ASP 112 H ASP 112 -11.417 -0.691 -13.829 834 HA ASP 112 HA ASP 112 -10.448 -3.174 -14.741 835 HB2 ASP 112 HB2 ASP 112 -12.294 -2.060 -15.877 836 HB3 ASP 112 HB3 ASP 112 -11.248 -0.709 -16.305 837 H VAL 113 H VAL 113 -8.424 -3.550 -14.507 838 HA VAL 113 HA VAL 113 -6.271 -1.884 -14.344 839 HB VAL 113 HB VAL 113 -6.167 -4.636 -15.566 840 HG11 VAL 113 HG11 VAL 113 -3.917 -4.728 -14.609 841 HG12 VAL 113 HG12 VAL 113 -4.103 -3.078 -14.019 842 HG13 VAL 113 HG13 VAL 113 -4.077 -3.396 -15.753 843 HG21 VAL 113 HG21 VAL 113 -6.106 -3.862 -12.655 844 HG22 VAL 113 HG22 VAL 113 -5.899 -5.489 -13.298 845 HG23 VAL 113 HG23 VAL 113 -7.444 -4.659 -13.478 846 H ALA 114 H ALA 114 -5.149 -0.660 -15.664 847 HA ALA 114 HA ALA 114 -5.682 -0.605 -18.492 848 HB1 ALA 114 HB1 ALA 114 -3.623 0.891 -16.865 849 HB2 ALA 114 HB2 ALA 114 -5.238 1.471 -17.273 850 HB3 ALA 114 HB3 ALA 114 -4.045 1.216 -18.547 851 H VAL 115 H VAL 115 -4.716 -1.899 -19.914 852 HA VAL 115 HA VAL 115 -2.563 -3.585 -18.933 853 HB VAL 115 HB VAL 115 -2.946 -4.900 -21.025 854 HG11 VAL 115 HG11 VAL 115 -5.088 -5.836 -20.268 855 HG12 VAL 115 HG12 VAL 115 -5.331 -4.425 -19.237 856 HG13 VAL 115 HG13 VAL 115 -3.988 -5.525 -18.926 857 HG21 VAL 115 HG21 VAL 115 -3.867 -3.096 -22.412 858 HG22 VAL 115 HG22 VAL 115 -5.294 -3.031 -21.376 859 HG23 VAL 115 HG23 VAL 115 -4.958 -4.477 -22.329 860 H ASP 116 H ASP 116 -0.545 -3.172 -19.292 861 HA ASP 116 HA ASP 116 0.252 -1.698 -21.709 862 HB2 ASP 116 HB2 ASP 116 0.943 -0.915 -19.349 863 HB3 ASP 116 HB3 ASP 116 2.020 -2.308 -19.337 864 H ASN 117 H ASN 117 3.042 -2.797 -21.445 865 HA ASN 117 HA ASN 117 2.561 -5.607 -22.018 866 HB2 ASN 117 HB2 ASN 117 3.651 -5.594 -24.191 867 HB3 ASN 117 HB3 ASN 117 2.234 -4.560 -24.196 868 HD21 ASN 117 HD21 ASN 117 3.560 -2.297 -22.909 869 HD22 ASN 117 HD22 ASN 117 4.640 -1.635 -24.087 870 H SER 118 H SER 118 3.741 -6.141 -20.262 871 HA SER 118 HA SER 118 5.547 -7.135 -19.361 872 HG SER 118 HG SER 118 5.320 -8.475 -21.188 873 HB2 SER 118 HB2 SER 118 6.971 -6.304 -21.894 874 HB3 SER 118 HB3 SER 118 7.543 -7.493 -20.723 875 H GLN 119 H GLN 119 6.157 -6.127 -17.583 876 HA GLN 119 HA GLN 119 8.132 -3.955 -17.887 877 HB2 GLN 119 HB2 GLN 119 6.131 -3.245 -16.620 878 HB3 GLN 119 HB3 GLN 119 6.400 -4.553 -15.476 879 HG2 GLN 119 HG2 GLN 119 8.604 -3.552 -14.934 880 HG3 GLN 119 HG3 GLN 119 8.195 -2.191 -15.978 881 HE21 GLN 119 HE21 GLN 119 7.496 -3.840 -13.012 882 HE22 GLN 119 HE22 GLN 119 6.613 -2.554 -12.261 883 HA PRO 120 HA PRO 120 10.610 -7.512 -16.696 884 HB2 PRO 120 HB2 PRO 120 13.009 -6.420 -17.320 885 HB3 PRO 120 HB3 PRO 120 11.903 -7.063 -18.540 886 HG2 PRO 120 HG2 PRO 120 12.338 -4.228 -17.687 887 HG3 PRO 120 HG3 PRO 120 12.166 -4.889 -19.324 888 HD2 PRO 120 HD2 PRO 120 10.128 -3.668 -18.022 889 HD3 PRO 120 HD3 PRO 120 9.867 -4.995 -19.173 890 H LEU 121 H LEU 121 11.679 -8.080 -14.891 891 HA LEU 121 HA LEU 121 12.336 -5.945 -12.972 892 HG LEU 121 HG LEU 121 9.648 -7.534 -12.967 893 HB2 LEU 121 HB2 LEU 121 11.677 -8.853 -12.478 894 HB3 LEU 121 HB3 LEU 121 12.118 -7.700 -11.234 895 HD11 LEU 121 HD11 LEU 121 9.541 -9.387 -11.391 896 HD12 LEU 121 HD12 LEU 121 8.450 -8.089 -10.906 897 HD13 LEU 121 HD13 LEU 121 9.988 -8.304 -10.071 898 HD21 LEU 121 HD21 LEU 121 10.439 -5.333 -12.306 899 HD22 LEU 121 HD22 LEU 121 10.560 -5.861 -10.628 900 HD23 LEU 121 HD23 LEU 121 8.982 -5.753 -11.405 901 HA PRO 122 HA PRO 122 16.461 -7.548 -13.801 902 HB2 PRO 122 HB2 PRO 122 17.774 -5.245 -13.305 903 HB3 PRO 122 HB3 PRO 122 16.922 -5.543 -14.821 904 HG2 PRO 122 HG2 PRO 122 16.177 -3.802 -12.553 905 HG3 PRO 122 HG3 PRO 122 15.746 -3.671 -14.265 906 HD2 PRO 122 HD2 PRO 122 14.146 -4.705 -12.156 907 HD3 PRO 122 HD3 PRO 122 13.778 -4.723 -13.891 908 H LEU 123 H LEU 123 16.522 -8.936 -11.997 909 HA LEU 123 HA LEU 123 17.514 -7.693 -9.522 910 HG LEU 123 HG LEU 123 15.647 -7.783 -7.994 911 HB2 LEU 123 HB2 LEU 123 15.748 -10.071 -9.954 912 HB3 LEU 123 HB3 LEU 123 16.754 -9.988 -8.524 913 HD11 LEU 123 HD11 LEU 123 13.701 -8.660 -10.119 914 HD12 LEU 123 HD12 LEU 123 14.802 -7.285 -10.236 915 HD13 LEU 123 HD13 LEU 123 13.517 -7.287 -9.027 916 HD21 LEU 123 HD21 LEU 123 15.060 -9.847 -6.854 917 HD22 LEU 123 HD22 LEU 123 13.902 -10.237 -8.125 918 HD23 LEU 123 HD23 LEU 123 13.637 -8.834 -7.091 919 H GLU 124 H GLU 124 19.661 -7.743 -10.065 920 HA GLU 124 HA GLU 124 20.856 -10.438 -10.027 921 HB2 GLU 124 HB2 GLU 124 21.782 -7.912 -11.388 922 HB3 GLU 124 HB3 GLU 124 22.888 -9.236 -11.040 923 HG2 GLU 124 HG2 GLU 124 20.354 -9.683 -12.568 924 HG3 GLU 124 HG3 GLU 124 21.818 -9.111 -13.363 925 H HIS 125 H HIS 125 22.178 -10.875 -8.342 926 HA HIS 125 HA HIS 125 22.941 -8.619 -6.615 927 HD1 HIS 125 HD1 HIS 125 20.725 -8.134 -3.940 928 HD2 HIS 125 HD2 HIS 125 23.904 -10.788 -3.520 929 HE1 HIS 125 HE1 HIS 125 21.721 -7.650 -1.679 930 HE2 HIS 125 HE2 HIS 125 23.628 -9.284 -1.425 931 HB2 HIS 125 HB2 HIS 125 20.833 -9.760 -5.805 932 HB3 HIS 125 HB3 HIS 125 21.803 -11.205 -5.545 933 H HIS 126 H HIS 126 25.085 -8.779 -7.223 934 HA HIS 126 HA HIS 126 26.438 -11.215 -6.274 935 HD1 HIS 126 HD1 HIS 126 26.319 -9.123 -10.231 936 HD2 HIS 126 HD2 HIS 126 28.747 -7.499 -7.266 937 HE1 HIS 126 HE1 HIS 126 26.797 -6.767 -10.961 938 HE2 HIS 126 HE2 HIS 126 28.099 -5.746 -9.059 939 HB2 HIS 126 HB2 HIS 126 28.423 -10.417 -7.582 940 HB3 HIS 126 HB3 HIS 126 27.031 -10.828 -8.569 941 H HIS 127 H HIS 127 27.793 -11.102 -4.588 942 HA HIS 127 HA HIS 127 28.606 -8.497 -3.559 943 HD1 HIS 127 HD1 HIS 127 27.089 -10.297 0.530 944 HD2 HIS 127 HD2 HIS 127 28.904 -7.080 -1.389 945 HE1 HIS 127 HE1 HIS 127 28.119 -8.908 2.355 946 HE2 HIS 127 HE2 HIS 127 29.281 -7.017 1.172 947 HB2 HIS 127 HB2 HIS 127 26.458 -8.947 -2.469 948 HB3 HIS 127 HB3 HIS 127 27.030 -10.525 -1.952 949 H HIS 128 H HIS 128 30.730 -8.662 -3.330 950 HA HIS 128 HA HIS 128 31.923 -11.287 -2.851 951 HD1 HIS 128 HD1 HIS 128 35.648 -8.542 -3.346 952 HD2 HIS 128 HD2 HIS 128 34.251 -12.460 -3.413 953 HE1 HIS 128 HE1 HIS 128 37.665 -9.990 -2.965 954 HE2 HIS 128 HE2 HIS 128 36.760 -12.333 -2.784 955 HB2 HIS 128 HB2 HIS 128 32.824 -9.943 -4.699 956 HB3 HIS 128 HB3 HIS 128 33.194 -8.636 -3.583 957 H HIS 129 H HIS 129 32.493 -11.890 -0.892 958 HA HIS 129 HA HIS 129 32.676 -9.900 1.239 959 HD1 HIS 129 HD1 HIS 129 32.762 -13.752 3.867 960 HD2 HIS 129 HD2 HIS 129 32.317 -9.626 3.570 961 HE1 HIS 129 HE1 HIS 129 32.842 -12.887 6.232 962 HE2 HIS 129 HE2 HIS 129 32.361 -10.417 6.037 963 HB2 HIS 129 HB2 HIS 129 31.370 -12.074 1.474 964 HB3 HIS 129 HB3 HIS 129 32.920 -12.905 1.485 965 H HIS 130 H HIS 130 34.601 -12.718 0.163 966 HA HIS 130 HA HIS 130 36.907 -11.205 -0.301 967 HD1 HIS 130 HD1 HIS 130 38.860 -14.282 2.088 968 HD2 HIS 130 HD2 HIS 130 35.347 -12.782 3.734 969 HE1 HIS 130 HE1 HIS 130 38.184 -15.930 3.862 970 HE2 HIS 130 HE2 HIS 130 36.212 -14.867 5.007 971 HB2 HIS 130 HB2 HIS 130 38.397 -11.865 1.473 972 HB3 HIS 130 HB3 HIS 130 36.999 -11.078 2.184 Start of MODEL 10 1 HA MET 1 HA MET 1 -18.601 -5.538 4.884 2 H1 MET 1 H1 MET 1 -20.426 -3.867 6.509 3 H2 MET 1 H2 MET 1 -19.211 -3.291 5.482 4 H3 MET 1 H3 MET 1 -18.799 -4.192 6.856 5 HB2 MET 1 HB2 MET 1 -20.892 -6.244 6.719 6 HB3 MET 1 HB3 MET 1 -20.205 -7.367 5.557 7 HG2 MET 1 HG2 MET 1 -19.261 -7.847 7.679 8 HG3 MET 1 HG3 MET 1 -18.008 -7.094 6.697 9 HE1 MET 1 HE1 MET 1 -21.037 -5.388 8.560 10 HE2 MET 1 HE2 MET 1 -20.283 -4.945 10.089 11 HE3 MET 1 HE3 MET 1 -20.512 -6.645 9.680 12 H SER 2 H SER 2 -19.466 -6.418 3.027 13 HA SER 2 HA SER 2 -22.056 -6.317 2.079 14 HG SER 2 HG SER 2 -20.263 -3.158 0.335 15 HB2 SER 2 HB2 SER 2 -21.937 -4.432 0.437 16 HB3 SER 2 HB3 SER 2 -21.952 -3.881 2.110 17 H GLN 3 H GLN 3 -19.074 -5.206 0.503 18 HA GLN 3 HA GLN 3 -18.719 -7.896 -0.627 19 HB2 GLN 3 HB2 GLN 3 -17.994 -6.988 -2.748 20 HB3 GLN 3 HB3 GLN 3 -19.601 -6.382 -2.388 21 HG2 GLN 3 HG2 GLN 3 -18.749 -4.235 -1.814 22 HG3 GLN 3 HG3 GLN 3 -17.086 -4.822 -1.862 23 HE21 GLN 3 HE21 GLN 3 -16.445 -3.349 -3.416 24 HE22 GLN 3 HE22 GLN 3 -16.944 -3.468 -5.069 25 H TRP 4 H TRP 4 -17.683 -6.122 1.595 26 HA TRP 4 HA TRP 4 -14.993 -5.421 1.199 27 HD1 TRP 4 HD1 TRP 4 -18.497 -4.654 2.876 28 HE1 TRP 4 HE1 TRP 4 -18.709 -2.102 3.144 29 HE3 TRP 4 HE3 TRP 4 -13.615 -3.561 3.700 30 HZ2 TRP 4 HZ2 TRP 4 -17.002 0.090 3.648 31 HZ3 TRP 4 HZ3 TRP 4 -12.965 -1.213 4.075 32 HH2 TRP 4 HH2 TRP 4 -14.629 0.574 4.042 33 HB2 TRP 4 HB2 TRP 4 -16.459 -6.327 3.689 34 HB3 TRP 4 HB3 TRP 4 -14.846 -5.621 3.685 35 H THR 5 H THR 5 -13.374 -6.706 0.674 36 HA THR 5 HA THR 5 -13.567 -9.575 1.096 37 HB THR 5 HB THR 5 -11.249 -8.151 -0.195 38 HG1 THR 5 HG1 THR 5 -12.766 -8.790 -2.155 39 HG21 THR 5 HG21 THR 5 -12.542 -10.848 -0.649 40 HG22 THR 5 HG22 THR 5 -11.023 -10.554 0.198 41 HG23 THR 5 HG23 THR 5 -11.150 -10.216 -1.528 42 H THR 6 H THR 6 -12.456 -10.676 2.625 43 HA THR 6 HA THR 6 -11.034 -9.238 4.644 44 HB THR 6 HB THR 6 -11.159 -12.239 4.302 45 HG1 THR 6 HG1 THR 6 -13.013 -11.995 5.770 46 HG21 THR 6 HG21 THR 6 -10.900 -12.249 6.741 47 HG22 THR 6 HG22 THR 6 -10.820 -10.488 6.742 48 HG23 THR 6 HG23 THR 6 -9.546 -11.426 5.964 49 H VAL 7 H VAL 7 -8.975 -8.671 4.565 50 HA VAL 7 HA VAL 7 -7.248 -9.776 2.508 51 HB VAL 7 HB VAL 7 -6.654 -7.595 4.515 52 HG11 VAL 7 HG11 VAL 7 -4.918 -6.939 2.888 53 HG12 VAL 7 HG12 VAL 7 -5.299 -8.375 1.937 54 HG13 VAL 7 HG13 VAL 7 -4.647 -8.544 3.566 55 HG21 VAL 7 HG21 VAL 7 -8.577 -6.982 3.163 56 HG22 VAL 7 HG22 VAL 7 -7.688 -7.373 1.691 57 HG23 VAL 7 HG23 VAL 7 -7.170 -6.023 2.702 58 H CYS 8 H CYS 8 -6.688 -8.956 5.922 59 HA CYS 8 HA CYS 8 -5.500 -11.491 6.539 60 HG CYS 8 HG CYS 8 -1.442 -10.554 6.849 61 HB2 CYS 8 HB2 CYS 8 -3.718 -10.333 5.183 62 HB3 CYS 8 HB3 CYS 8 -3.688 -9.062 6.397 63 H LYS 9 H LYS 9 -4.178 -11.032 8.771 64 HA LYS 9 HA LYS 9 -6.148 -9.791 10.503 65 HB2 LYS 9 HB2 LYS 9 -3.596 -11.287 11.126 66 HB3 LYS 9 HB3 LYS 9 -4.732 -10.704 12.332 67 HG2 LYS 9 HG2 LYS 9 -6.433 -12.197 11.542 68 HG3 LYS 9 HG3 LYS 9 -5.430 -12.681 10.172 69 HD2 LYS 9 HD2 LYS 9 -5.347 -14.385 11.892 70 HD3 LYS 9 HD3 LYS 9 -3.771 -13.606 11.744 71 HE2 LYS 9 HE2 LYS 9 -4.349 -12.178 13.687 72 HE3 LYS 9 HE3 LYS 9 -5.857 -13.078 13.859 73 HZ1 LYS 9 HZ1 LYS 9 -4.186 -13.929 15.358 74 HZ2 LYS 9 HZ2 LYS 9 -3.111 -14.194 14.080 75 HZ3 LYS 9 HZ3 LYS 9 -4.542 -15.102 14.184 76 H LEU 10 H LEU 10 -5.807 -8.014 11.803 77 HA LEU 10 HA LEU 10 -3.912 -6.067 10.979 78 HG LEU 10 HG LEU 10 -3.804 -4.496 13.663 79 HB2 LEU 10 HB2 LEU 10 -6.093 -5.525 11.986 80 HB3 LEU 10 HB3 LEU 10 -5.570 -6.237 13.498 81 HD11 LEU 10 HD11 LEU 10 -3.597 -3.986 11.284 82 HD12 LEU 10 HD12 LEU 10 -3.943 -2.536 12.224 83 HD13 LEU 10 HD13 LEU 10 -5.223 -3.302 11.286 84 HD21 LEU 10 HD21 LEU 10 -5.332 -2.672 14.261 85 HD22 LEU 10 HD22 LEU 10 -5.911 -4.233 14.841 86 HD23 LEU 10 HD23 LEU 10 -6.639 -3.499 13.413 87 H ASP 11 H ASP 11 -3.623 -8.784 12.866 88 HA ASP 11 HA ASP 11 -1.771 -7.813 14.840 89 HB2 ASP 11 HB2 ASP 11 -3.356 -9.616 15.345 90 HB3 ASP 11 HB3 ASP 11 -2.634 -10.617 14.092 91 H ASP 12 H ASP 12 -1.575 -8.920 11.617 92 HA ASP 12 HA ASP 12 1.285 -9.567 11.915 93 HB2 ASP 12 HB2 ASP 12 -0.222 -11.286 10.871 94 HB3 ASP 12 HB3 ASP 12 -0.514 -10.157 9.555 95 H ILE 13 H ILE 13 -0.781 -7.118 11.005 96 HA ILE 13 HA ILE 13 0.683 -6.075 8.765 97 HB ILE 13 HB ILE 13 -1.325 -4.660 10.526 98 HG12 ILE 13 HG12 ILE 13 -2.292 -6.660 9.495 99 HG13 ILE 13 HG13 ILE 13 -2.960 -5.202 8.766 100 HG21 ILE 13 HG21 ILE 13 0.061 -3.119 9.236 101 HG22 ILE 13 HG22 ILE 13 -1.600 -3.130 8.642 102 HG23 ILE 13 HG23 ILE 13 -0.341 -3.987 7.753 103 HD11 ILE 13 HD11 ILE 13 -1.491 -5.484 6.846 104 HD12 ILE 13 HD12 ILE 13 -2.494 -6.912 7.103 105 HD13 ILE 13 HD13 ILE 13 -0.797 -6.926 7.584 106 H LEU 14 H LEU 14 2.427 -4.815 8.778 107 HA LEU 14 HA LEU 14 3.834 -4.370 11.197 108 HG LEU 14 HG LEU 14 4.424 -5.760 8.404 109 HB2 LEU 14 HB2 LEU 14 4.382 -3.314 8.426 110 HB3 LEU 14 HB3 LEU 14 5.507 -3.296 9.766 111 HD11 LEU 14 HD11 LEU 14 6.052 -4.542 7.051 112 HD12 LEU 14 HD12 LEU 14 6.715 -6.069 7.633 113 HD13 LEU 14 HD13 LEU 14 7.187 -4.552 8.400 114 HD21 LEU 14 HD21 LEU 14 6.040 -6.970 9.816 115 HD22 LEU 14 HD22 LEU 14 4.779 -6.181 10.761 116 HD23 LEU 14 HD23 LEU 14 6.389 -5.469 10.672 117 HA PRO 15 HA PRO 15 2.227 -0.374 12.194 118 HB2 PRO 15 HB2 PRO 15 4.352 -0.007 14.099 119 HB3 PRO 15 HB3 PRO 15 2.675 -0.460 14.407 120 HG2 PRO 15 HG2 PRO 15 4.830 -2.121 14.801 121 HG3 PRO 15 HG3 PRO 15 3.172 -2.682 14.520 122 HD2 PRO 15 HD2 PRO 15 5.469 -2.496 12.612 123 HD3 PRO 15 HD3 PRO 15 4.216 -3.748 12.751 124 H GLY 16 H GLY 16 2.498 1.480 11.156 125 HA2 GLY 16 HA2 GLY 16 3.550 3.492 10.655 126 HA3 GLY 16 HA3 GLY 16 5.083 2.800 11.164 127 H THR 17 H THR 17 3.016 1.128 8.866 128 HA THR 17 HA THR 17 4.651 1.980 6.624 129 HB THR 17 HB THR 17 5.133 -0.620 6.238 130 HG1 THR 17 HG1 THR 17 4.692 -0.300 8.982 131 HG21 THR 17 HG21 THR 17 6.855 1.124 8.009 132 HG22 THR 17 HG22 THR 17 6.817 1.184 6.247 133 HG23 THR 17 HG23 THR 17 7.396 -0.267 7.067 134 H GLY 18 H GLY 18 4.070 0.777 4.610 135 HA2 GLY 18 HA2 GLY 18 1.323 -0.287 4.741 136 HA3 GLY 18 HA3 GLY 18 1.816 0.849 3.491 137 H VAL 19 H VAL 19 0.870 -2.032 3.422 138 HA VAL 19 HA VAL 19 3.122 -3.059 1.842 139 HB VAL 19 HB VAL 19 2.483 -5.375 2.523 140 HG11 VAL 19 HG11 VAL 19 4.386 -4.280 3.553 141 HG12 VAL 19 HG12 VAL 19 3.537 -5.266 4.744 142 HG13 VAL 19 HG13 VAL 19 3.331 -3.516 4.741 143 HG21 VAL 19 HG21 VAL 19 0.795 -3.933 4.568 144 HG22 VAL 19 HG22 VAL 19 1.134 -5.663 4.556 145 HG23 VAL 19 HG23 VAL 19 0.199 -4.938 3.247 146 H CYS 20 H CYS 20 2.685 -3.924 -0.128 147 HA CYS 20 HA CYS 20 0.115 -3.539 -1.272 148 HG CYS 20 HG CYS 20 2.930 -6.453 -1.592 149 HB2 CYS 20 HB2 CYS 20 1.144 -4.815 -3.207 150 HB3 CYS 20 HB3 CYS 20 2.006 -3.364 -2.708 151 H ALA 21 H ALA 21 -1.485 -4.710 -0.351 152 HA ALA 21 HA ALA 21 -1.127 -7.534 0.202 153 HB1 ALA 21 HB1 ALA 21 -3.414 -7.412 1.089 154 HB2 ALA 21 HB2 ALA 21 -3.533 -5.745 0.526 155 HB3 ALA 21 HB3 ALA 21 -2.372 -6.169 1.784 156 H LEU 22 H LEU 22 -1.796 -9.160 -1.055 157 HA LEU 22 HA LEU 22 -2.947 -8.526 -3.641 158 HG LEU 22 HG LEU 22 -1.531 -11.658 -4.991 159 HB2 LEU 22 HB2 LEU 22 -1.022 -10.162 -3.249 160 HB3 LEU 22 HB3 LEU 22 -2.217 -11.257 -2.589 161 HD11 LEU 22 HD11 LEU 22 -3.546 -12.659 -4.091 162 HD12 LEU 22 HD12 LEU 22 -3.807 -12.149 -5.759 163 HD13 LEU 22 HD13 LEU 22 -4.453 -11.186 -4.431 164 HD21 LEU 22 HD21 LEU 22 -2.579 -10.263 -6.700 165 HD22 LEU 22 HD22 LEU 22 -1.446 -9.338 -5.711 166 HD23 LEU 22 HD23 LEU 22 -3.183 -9.180 -5.445 167 H VAL 23 H VAL 23 -5.056 -8.079 -3.463 168 HA VAL 23 HA VAL 23 -6.769 -10.081 -2.125 169 HB VAL 23 HB VAL 23 -7.380 -7.139 -2.467 170 HG11 VAL 23 HG11 VAL 23 -8.754 -9.277 -0.847 171 HG12 VAL 23 HG12 VAL 23 -9.345 -8.580 -2.355 172 HG13 VAL 23 HG13 VAL 23 -9.206 -7.575 -0.912 173 HG21 VAL 23 HG21 VAL 23 -6.954 -6.896 -0.080 174 HG22 VAL 23 HG22 VAL 23 -5.505 -7.446 -0.921 175 HG23 VAL 23 HG23 VAL 23 -6.469 -8.588 0.018 176 H GLU 24 H GLU 24 -7.773 -11.253 -3.653 177 HA GLU 24 HA GLU 24 -9.009 -11.824 -5.484 178 HB2 GLU 24 HB2 GLU 24 -9.714 -8.958 -5.122 179 HB3 GLU 24 HB3 GLU 24 -10.256 -9.817 -6.548 180 HG2 GLU 24 HG2 GLU 24 -11.355 -11.483 -5.106 181 HG3 GLU 24 HG3 GLU 24 -10.831 -10.570 -3.693 182 H GLN 25 H GLN 25 -6.297 -10.635 -5.662 183 HA GLN 25 HA GLN 25 -4.665 -10.628 -7.243 184 HB2 GLN 25 HB2 GLN 25 -6.966 -10.878 -9.168 185 HB3 GLN 25 HB3 GLN 25 -5.303 -10.677 -9.707 186 HG2 GLN 25 HG2 GLN 25 -6.395 -12.931 -8.039 187 HG3 GLN 25 HG3 GLN 25 -5.887 -13.012 -9.726 188 HE21 GLN 25 HE21 GLN 25 -4.920 -14.532 -7.450 189 HE22 GLN 25 HE22 GLN 25 -3.221 -14.208 -7.335 190 H GLN 26 H GLN 26 -6.385 -8.337 -6.198 191 HA GLN 26 HA GLN 26 -5.091 -6.313 -7.897 192 HB2 GLN 26 HB2 GLN 26 -7.466 -5.909 -7.766 193 HB3 GLN 26 HB3 GLN 26 -7.453 -6.100 -6.020 194 HG2 GLN 26 HG2 GLN 26 -7.671 -3.763 -6.747 195 HG3 GLN 26 HG3 GLN 26 -6.251 -4.047 -5.744 196 HE21 GLN 26 HE21 GLN 26 -6.379 -4.994 -9.102 197 HE22 GLN 26 HE22 GLN 26 -5.276 -3.795 -9.677 198 H GLN 27 H GLN 27 -3.591 -4.956 -6.948 199 HA GLN 27 HA GLN 27 -2.725 -5.766 -4.269 200 HB2 GLN 27 HB2 GLN 27 -1.278 -4.299 -6.470 201 HB3 GLN 27 HB3 GLN 27 -0.608 -4.554 -4.864 202 HG2 GLN 27 HG2 GLN 27 -0.852 -7.006 -5.233 203 HG3 GLN 27 HG3 GLN 27 -1.333 -6.654 -6.894 204 HE21 GLN 27 HE21 GLN 27 1.274 -6.627 -4.595 205 HE22 GLN 27 HE22 GLN 27 2.554 -6.397 -5.734 206 H ILE 28 H ILE 28 -3.586 -4.594 -2.727 207 HA ILE 28 HA ILE 28 -3.728 -1.666 -3.079 208 HB ILE 28 HB ILE 28 -5.239 -3.320 -1.040 209 HG12 ILE 28 HG12 ILE 28 -7.222 -2.497 -2.593 210 HG13 ILE 28 HG13 ILE 28 -5.966 -2.521 -3.825 211 HG21 ILE 28 HG21 ILE 28 -4.908 -1.041 -0.354 212 HG22 ILE 28 HG22 ILE 28 -6.598 -1.280 -0.801 213 HG23 ILE 28 HG23 ILE 28 -5.501 -0.451 -1.906 214 HD11 ILE 28 HD11 ILE 28 -6.819 -4.847 -2.119 215 HD12 ILE 28 HD12 ILE 28 -5.547 -4.879 -3.340 216 HD13 ILE 28 HD13 ILE 28 -7.221 -4.592 -3.818 217 H ALA 29 H ALA 29 -2.514 -0.422 -1.771 218 HA ALA 29 HA ALA 29 -0.641 -1.759 -0.003 219 HB1 ALA 29 HB1 ALA 29 -0.857 1.153 -0.771 220 HB2 ALA 29 HB2 ALA 29 0.187 -0.046 -1.536 221 HB3 ALA 29 HB3 ALA 29 0.461 0.419 0.143 222 H VAL 30 H VAL 30 -1.159 -2.119 2.032 223 HA VAL 30 HA VAL 30 -3.263 -0.482 3.278 224 HB VAL 30 HB VAL 30 -1.991 -3.018 4.340 225 HG11 VAL 30 HG11 VAL 30 -3.076 -1.656 6.039 226 HG12 VAL 30 HG12 VAL 30 -3.988 -3.138 5.750 227 HG13 VAL 30 HG13 VAL 30 -4.553 -1.609 5.076 228 HG21 VAL 30 HG21 VAL 30 -4.524 -2.702 2.733 229 HG22 VAL 30 HG22 VAL 30 -3.993 -4.187 3.522 230 HG23 VAL 30 HG23 VAL 30 -3.042 -3.500 2.207 231 H PHE 31 H PHE 31 -2.387 1.308 4.065 232 HA PHE 31 HA PHE 31 0.148 1.365 5.422 233 HD1 PHE 31 HD2 PHE 31 -1.953 2.838 2.662 234 HD2 PHE 31 HD1 PHE 31 1.355 4.410 4.828 235 HE1 PHE 31 HE2 PHE 31 -0.914 3.549 0.551 236 HE2 PHE 31 HE1 PHE 31 2.397 5.128 2.720 237 HZ PHE 31 HZ PHE 31 1.262 4.697 0.578 238 HB2 PHE 31 HB2 PHE 31 -2.049 3.422 5.124 239 HB3 PHE 31 HB3 PHE 31 -0.542 3.728 5.973 240 H ARG 32 H ARG 32 0.450 0.881 7.509 241 HA ARG 32 HA ARG 32 -1.813 1.317 9.321 242 HE ARG 32 HE ARG 32 -2.054 -1.214 13.426 243 HB2 ARG 32 HB2 ARG 32 -0.829 -1.024 9.232 244 HB3 ARG 32 HB3 ARG 32 0.625 -0.338 9.951 245 HG2 ARG 32 HG2 ARG 32 -0.698 0.409 11.877 246 HG3 ARG 32 HG3 ARG 32 -2.135 -0.322 11.162 247 HD2 ARG 32 HD2 ARG 32 -1.008 -2.521 11.242 248 HD3 ARG 32 HD3 ARG 32 0.369 -1.760 12.042 249 HH11 ARG 32 HH11 ARG 32 0.335 -3.732 12.927 250 HH12 ARG 32 HH12 ARG 32 -0.007 -4.515 14.436 251 HH21 ARG 32 HH21 ARG 32 -2.496 -2.251 15.413 252 HH22 ARG 32 HH22 ARG 32 -1.597 -3.668 15.856 253 HA PRO 33 HA PRO 33 1.120 4.784 9.881 254 HB2 PRO 33 HB2 PRO 33 -1.267 6.151 10.939 255 HB3 PRO 33 HB3 PRO 33 -0.187 6.632 9.627 256 HG2 PRO 33 HG2 PRO 33 -2.683 5.770 9.144 257 HG3 PRO 33 HG3 PRO 33 -1.340 5.396 8.049 258 HD2 PRO 33 HD2 PRO 33 -2.625 3.662 10.129 259 HD3 PRO 33 HD3 PRO 33 -2.103 3.245 8.482 260 H ARG 34 H ARG 34 -1.281 3.558 12.115 261 HA ARG 34 HA ARG 34 0.444 4.347 14.366 262 HE ARG 34 HE ARG 34 -2.937 7.997 14.766 263 HB2 ARG 34 HB2 ARG 34 -2.488 3.615 14.319 264 HB3 ARG 34 HB3 ARG 34 -1.567 3.923 15.782 265 HG2 ARG 34 HG2 ARG 34 -1.152 6.214 15.032 266 HG3 ARG 34 HG3 ARG 34 -2.096 5.898 13.574 267 HD2 ARG 34 HD2 ARG 34 -4.055 5.409 14.972 268 HD3 ARG 34 HD3 ARG 34 -3.106 5.771 16.414 269 HH11 ARG 34 HH11 ARG 34 -5.435 6.231 16.468 270 HH12 ARG 34 HH12 ARG 34 -6.445 7.629 16.699 271 HH21 ARG 34 HH21 ARG 34 -4.260 9.824 15.039 272 HH22 ARG 34 HH22 ARG 34 -5.767 9.674 15.893 273 H ASN 35 H ASN 35 0.561 2.770 16.145 274 HA ASN 35 HA ASN 35 0.748 0.026 15.142 275 HB2 ASN 35 HB2 ASN 35 2.592 1.062 16.483 276 HB3 ASN 35 HB3 ASN 35 1.493 1.171 17.851 277 HD21 ASN 35 HD21 ASN 35 2.768 -0.118 19.129 278 HD22 ASN 35 HD22 ASN 35 2.926 -1.822 18.882 279 H ASP 36 H ASP 36 -1.681 1.760 15.928 280 HA ASP 36 HA ASP 36 -2.827 0.208 18.104 281 HB2 ASP 36 HB2 ASP 36 -3.582 2.815 16.800 282 HB3 ASP 36 HB3 ASP 36 -4.660 1.990 17.920 283 H GLU 37 H GLU 37 -5.097 1.677 15.997 284 HA GLU 37 HA GLU 37 -6.016 -1.025 15.269 285 HB2 GLU 37 HB2 GLU 37 -7.383 -0.009 17.007 286 HB3 GLU 37 HB3 GLU 37 -7.634 1.417 16.013 287 HG2 GLU 37 HG2 GLU 37 -8.856 0.059 14.381 288 HG3 GLU 37 HG3 GLU 37 -8.615 -1.362 15.397 289 H GLN 38 H GLN 38 -6.714 2.345 14.292 290 HA GLN 38 HA GLN 38 -7.882 1.604 11.862 291 HB2 GLN 38 HB2 GLN 38 -6.839 4.201 12.923 292 HB3 GLN 38 HB3 GLN 38 -7.422 4.087 11.267 293 HG2 GLN 38 HG2 GLN 38 -9.014 3.393 13.728 294 HG3 GLN 38 HG3 GLN 38 -9.137 4.898 12.816 295 HE21 GLN 38 HE21 GLN 38 -10.075 4.868 10.749 296 HE22 GLN 38 HE22 GLN 38 -11.049 3.541 10.214 297 H VAL 39 H VAL 39 -7.183 1.158 9.935 298 HA VAL 39 HA VAL 39 -4.430 1.839 9.159 299 HB VAL 39 HB VAL 39 -4.423 -0.197 7.725 300 HG11 VAL 39 HG11 VAL 39 -4.824 -0.693 10.669 301 HG12 VAL 39 HG12 VAL 39 -3.314 -0.240 9.876 302 HG13 VAL 39 HG13 VAL 39 -4.052 -1.806 9.539 303 HG21 VAL 39 HG21 VAL 39 -6.819 -0.532 7.497 304 HG22 VAL 39 HG22 VAL 39 -6.957 -0.871 9.223 305 HG23 VAL 39 HG23 VAL 39 -6.064 -1.974 8.175 306 H TYR 40 H TYR 40 -4.218 1.795 6.693 307 HA TYR 40 HA TYR 40 -6.678 2.706 5.375 308 HD1 TYR 40 HD1 TYR 40 -7.616 5.226 5.152 309 HD2 TYR 40 HD2 TYR 40 -4.131 5.204 7.593 310 HE1 TYR 40 HE1 TYR 40 -8.719 6.754 6.732 311 HE2 TYR 40 HE2 TYR 40 -5.224 6.732 9.182 312 HH TYR 40 HH TYR 40 -8.526 7.339 9.171 313 HB2 TYR 40 HB2 TYR 40 -4.059 4.196 5.488 314 HB3 TYR 40 HB3 TYR 40 -5.300 4.526 4.287 315 H ALA 41 H ALA 41 -6.877 1.108 3.891 316 HA ALA 41 HA ALA 41 -4.513 0.362 2.339 317 HB1 ALA 41 HB1 ALA 41 -5.879 -1.456 3.234 318 HB2 ALA 41 HB2 ALA 41 -5.869 -1.464 1.471 319 HB3 ALA 41 HB3 ALA 41 -7.272 -0.847 2.341 320 H ILE 42 H ILE 42 -4.098 1.663 0.715 321 HA ILE 42 HA ILE 42 -6.286 2.369 -1.131 322 HB ILE 42 HB ILE 42 -5.145 4.515 -1.602 323 HG12 ILE 42 HG12 ILE 42 -3.455 3.820 0.813 324 HG13 ILE 42 HG13 ILE 42 -2.887 3.849 -0.851 325 HG21 ILE 42 HG21 ILE 42 -5.838 5.676 0.452 326 HG22 ILE 42 HG22 ILE 42 -5.961 4.119 1.274 327 HG23 ILE 42 HG23 ILE 42 -7.026 4.488 -0.083 328 HD11 ILE 42 HD11 ILE 42 -3.358 6.245 -0.960 329 HD12 ILE 42 HD12 ILE 42 -2.213 5.852 0.324 330 HD13 ILE 42 HD13 ILE 42 -3.894 6.210 0.719 331 H SER 43 H SER 43 -5.488 2.780 -3.370 332 HA SER 43 HA SER 43 -3.550 0.806 -4.101 333 HG SER 43 HG SER 43 -5.506 0.194 -5.951 334 HB2 SER 43 HB2 SER 43 -4.932 2.908 -5.775 335 HB3 SER 43 HB3 SER 43 -3.958 1.584 -6.413 336 H ASN 44 H ASN 44 -1.802 1.690 -2.823 337 HA ASN 44 HA ASN 44 -0.398 3.917 -4.160 338 HB2 ASN 44 HB2 ASN 44 -0.942 4.306 -1.774 339 HB3 ASN 44 HB3 ASN 44 -0.032 2.864 -1.342 340 HD21 ASN 44 HD21 ASN 44 0.179 6.132 -2.553 341 HD22 ASN 44 HD22 ASN 44 1.860 6.350 -2.220 342 H ILE 45 H ILE 45 0.174 2.307 -5.761 343 HA ILE 45 HA ILE 45 2.467 0.644 -4.934 344 HB ILE 45 HB ILE 45 0.395 -0.090 -7.021 345 HG12 ILE 45 HG12 ILE 45 -0.552 -0.249 -4.767 346 HG13 ILE 45 HG13 ILE 45 -0.326 -1.846 -5.468 347 HG21 ILE 45 HG21 ILE 45 2.745 -1.625 -5.930 348 HG22 ILE 45 HG22 ILE 45 2.575 -0.969 -7.560 349 HG23 ILE 45 HG23 ILE 45 1.522 -2.276 -7.020 350 HD11 ILE 45 HD11 ILE 45 1.481 -0.537 -3.452 351 HD12 ILE 45 HD12 ILE 45 1.691 -2.149 -4.139 352 HD13 ILE 45 HD13 ILE 45 0.292 -1.797 -3.120 353 H ASP 46 H ASP 46 4.246 0.904 -6.166 354 HA ASP 46 HA ASP 46 4.119 2.837 -8.335 355 HB2 ASP 46 HB2 ASP 46 5.929 2.843 -6.537 356 HB3 ASP 46 HB3 ASP 46 6.583 1.410 -7.326 357 HA PRO 47 HA PRO 47 3.636 -0.373 -11.337 358 HB2 PRO 47 HB2 PRO 47 4.264 1.119 -13.546 359 HB3 PRO 47 HB3 PRO 47 2.698 1.172 -12.730 360 HG2 PRO 47 HG2 PRO 47 5.025 3.036 -12.483 361 HG3 PRO 47 HG3 PRO 47 3.294 3.411 -12.589 362 HD2 PRO 47 HD2 PRO 47 4.607 3.445 -10.245 363 HD3 PRO 47 HD3 PRO 47 2.919 2.908 -10.361 364 H PHE 48 H PHE 48 6.612 1.198 -10.662 365 HA PHE 48 HA PHE 48 8.095 -0.344 -12.627 366 HD1 PHE 48 HD1 PHE 48 10.071 0.811 -13.954 367 HD2 PHE 48 HD2 PHE 48 11.220 0.696 -9.856 368 HE1 PHE 48 HE1 PHE 48 12.365 0.224 -14.618 369 HE2 PHE 48 HE2 PHE 48 13.517 0.111 -10.515 370 HZ PHE 48 HZ PHE 48 14.093 -0.126 -12.898 371 HB2 PHE 48 HB2 PHE 48 8.762 1.974 -12.072 372 HB3 PHE 48 HB3 PHE 48 9.106 1.467 -10.424 373 H ALA 49 H ALA 49 6.932 -0.820 -9.470 374 HA ALA 49 HA ALA 49 8.914 -2.959 -9.041 375 HB1 ALA 49 HB1 ALA 49 8.960 -2.467 -6.665 376 HB2 ALA 49 HB2 ALA 49 7.833 -1.133 -6.901 377 HB3 ALA 49 HB3 ALA 49 9.449 -1.055 -7.602 378 H GLN 50 H GLN 50 5.615 -1.896 -8.793 379 HA GLN 50 HA GLN 50 3.670 -2.944 -8.348 380 HB2 GLN 50 HB2 GLN 50 5.403 -5.124 -9.332 381 HB3 GLN 50 HB3 GLN 50 3.985 -5.637 -8.427 382 HG2 GLN 50 HG2 GLN 50 3.471 -5.588 -10.771 383 HG3 GLN 50 HG3 GLN 50 2.562 -4.328 -9.942 384 HE21 GLN 50 HE21 GLN 50 5.962 -4.134 -10.796 385 HE22 GLN 50 HE22 GLN 50 5.780 -2.868 -11.963 386 H ALA 51 H ALA 51 5.354 -2.233 -6.202 387 HA ALA 51 HA ALA 51 4.186 -3.904 -4.097 388 HB1 ALA 51 HB1 ALA 51 7.118 -3.156 -4.178 389 HB2 ALA 51 HB2 ALA 51 6.465 -4.776 -4.424 390 HB3 ALA 51 HB3 ALA 51 6.290 -3.983 -2.858 391 H SER 52 H SER 52 4.557 -2.768 -1.938 392 HA SER 52 HA SER 52 3.628 -0.067 -2.266 393 HG SER 52 HG SER 52 4.334 -1.902 1.185 394 HB2 SER 52 HB2 SER 52 3.467 -0.237 0.274 395 HB3 SER 52 HB3 SER 52 2.500 -1.386 -0.649 396 H VAL 53 H VAL 53 6.098 -0.005 -3.249 397 HA VAL 53 HA VAL 53 8.113 0.530 -1.274 398 HB VAL 53 HB VAL 53 9.494 1.338 -3.159 399 HG11 VAL 53 HG11 VAL 53 9.458 -1.036 -2.605 400 HG12 VAL 53 HG12 VAL 53 9.652 -0.800 -4.342 401 HG13 VAL 53 HG13 VAL 53 8.087 -1.280 -3.688 402 HG21 VAL 53 HG21 VAL 53 7.726 2.352 -4.512 403 HG22 VAL 53 HG22 VAL 53 7.055 0.755 -4.843 404 HG23 VAL 53 HG23 VAL 53 8.654 1.183 -5.452 405 H LEU 54 H LEU 54 5.604 2.297 -2.725 406 HA LEU 54 HA LEU 54 6.698 4.913 -2.178 407 HG LEU 54 HG LEU 54 5.413 3.463 -4.718 408 HB2 LEU 54 HB2 LEU 54 3.879 4.091 -2.895 409 HB3 LEU 54 HB3 LEU 54 4.513 5.723 -2.930 410 HD11 LEU 54 HD11 LEU 54 3.152 4.193 -5.235 411 HD12 LEU 54 HD12 LEU 54 4.277 4.711 -6.489 412 HD13 LEU 54 HD13 LEU 54 3.693 5.870 -5.294 413 HD21 LEU 54 HD21 LEU 54 6.136 6.391 -4.732 414 HD22 LEU 54 HD22 LEU 54 6.631 5.198 -5.931 415 HD23 LEU 54 HD23 LEU 54 7.201 5.062 -4.269 416 H SER 55 H SER 55 5.123 2.452 -0.476 417 HA SER 55 HA SER 55 3.682 4.189 1.353 418 HG SER 55 HG SER 55 2.556 2.768 -0.310 419 HB2 SER 55 HB2 SER 55 3.952 1.186 1.496 420 HB3 SER 55 HB3 SER 55 2.678 2.195 2.183 421 H ARG 56 H ARG 56 6.767 2.829 1.133 422 HA ARG 56 HA ARG 56 7.079 2.760 4.053 423 HE ARG 56 HE ARG 56 9.761 0.074 4.510 424 HB2 ARG 56 HB2 ARG 56 8.698 1.518 1.838 425 HB3 ARG 56 HB3 ARG 56 9.257 1.582 3.504 426 HG2 ARG 56 HG2 ARG 56 7.178 0.364 4.164 427 HG3 ARG 56 HG3 ARG 56 6.827 0.158 2.447 428 HD2 ARG 56 HD2 ARG 56 7.941 -1.805 3.445 429 HD3 ARG 56 HD3 ARG 56 8.872 -1.079 2.134 430 HH11 ARG 56 HH11 ARG 56 9.663 -3.110 3.059 431 HH12 ARG 56 HH12 ARG 56 11.150 -3.636 3.803 432 HH21 ARG 56 HH21 ARG 56 11.708 -0.590 5.472 433 HH22 ARG 56 HH22 ARG 56 12.316 -2.194 5.178 434 H GLY 57 H GLY 57 7.006 5.207 2.463 435 HA2 GLY 57 HA2 GLY 57 9.762 6.168 2.661 436 HA3 GLY 57 HA3 GLY 57 8.407 7.037 1.951 437 H ILE 58 H ILE 58 8.134 8.842 3.057 438 HA ILE 58 HA ILE 58 8.330 8.746 5.990 439 HB ILE 58 HB ILE 58 8.291 11.197 4.210 440 HG12 ILE 58 HG12 ILE 58 10.651 9.908 5.597 441 HG13 ILE 58 HG13 ILE 58 10.313 9.774 3.875 442 HG21 ILE 58 HG21 ILE 58 8.935 10.873 7.143 443 HG22 ILE 58 HG22 ILE 58 7.481 11.613 6.471 444 HG23 ILE 58 HG23 ILE 58 9.051 12.375 6.222 445 HD11 ILE 58 HD11 ILE 58 10.934 12.306 5.379 446 HD12 ILE 58 HD12 ILE 58 10.547 12.206 3.663 447 HD13 ILE 58 HD13 ILE 58 12.011 11.441 4.282 448 H VAL 59 H VAL 59 6.460 8.346 6.877 449 HA VAL 59 HA VAL 59 4.042 9.485 5.705 450 HB VAL 59 HB VAL 59 4.031 7.072 5.919 451 HG11 VAL 59 HG11 VAL 59 4.417 7.482 8.876 452 HG12 VAL 59 HG12 VAL 59 5.573 6.766 7.753 453 HG13 VAL 59 HG13 VAL 59 4.049 5.946 8.092 454 HG21 VAL 59 HG21 VAL 59 1.913 8.220 6.146 455 HG22 VAL 59 HG22 VAL 59 2.169 8.401 7.882 456 HG23 VAL 59 HG23 VAL 59 1.942 6.797 7.187 457 H ALA 60 H ALA 60 3.506 11.355 6.563 458 HA ALA 60 HA ALA 60 3.519 11.676 9.462 459 HB1 ALA 60 HB1 ALA 60 5.742 12.417 8.765 460 HB2 ALA 60 HB2 ALA 60 4.777 13.762 9.376 461 HB3 ALA 60 HB3 ALA 60 5.010 13.561 7.639 462 H GLU 61 H GLU 61 2.518 13.744 10.120 463 HA GLU 61 HA GLU 61 0.214 14.327 8.423 464 HB2 GLU 61 HB2 GLU 61 -0.144 13.744 10.799 465 HB3 GLU 61 HB3 GLU 61 0.836 15.117 11.286 466 HG2 GLU 61 HG2 GLU 61 -0.795 16.652 10.387 467 HG3 GLU 61 HG3 GLU 61 -1.751 15.310 9.759 468 H HIS 62 H HIS 62 0.179 16.034 7.176 469 HA HIS 62 HA HIS 62 2.305 17.874 6.969 470 HD2 HIS 62 HD2 HIS 62 2.405 18.430 3.505 471 HE1 HIS 62 HE1 HIS 62 1.162 22.386 4.334 472 HE2 HIS 62 HE2 HIS 62 2.804 20.958 3.041 473 HB2 HIS 62 HB2 HIS 62 0.665 17.212 5.157 474 HB3 HIS 62 HB3 HIS 62 -0.518 18.247 5.943 475 H GLN 63 H GLN 63 -1.024 18.914 7.443 476 HA GLN 63 HA GLN 63 -0.231 20.362 9.875 477 HB2 GLN 63 HB2 GLN 63 -1.976 21.381 7.621 478 HB3 GLN 63 HB3 GLN 63 -1.879 22.142 9.202 479 HG2 GLN 63 HG2 GLN 63 0.410 21.792 7.281 480 HG3 GLN 63 HG3 GLN 63 -0.494 23.281 7.553 481 HE21 GLN 63 HE21 GLN 63 2.349 22.766 7.891 482 HE22 GLN 63 HE22 GLN 63 2.708 23.116 9.548 483 H ASP 64 H ASP 64 -2.839 19.046 7.906 484 HA ASP 64 HA ASP 64 -4.257 18.267 10.366 485 HB2 ASP 64 HB2 ASP 64 -5.571 19.307 7.843 486 HB3 ASP 64 HB3 ASP 64 -6.397 18.782 9.304 487 H ASP 65 H ASP 65 -3.115 17.507 7.233 488 HA ASP 65 HA ASP 65 -4.759 15.070 7.100 489 HB2 ASP 65 HB2 ASP 65 -4.646 16.963 5.230 490 HB3 ASP 65 HB3 ASP 65 -3.228 16.044 4.735 491 H LEU 66 H LEU 66 -3.518 13.360 5.629 492 HA LEU 66 HA LEU 66 -0.913 12.950 6.954 493 HG LEU 66 HG LEU 66 -3.578 12.090 8.306 494 HB2 LEU 66 HB2 LEU 66 -3.000 10.894 6.217 495 HB3 LEU 66 HB3 LEU 66 -1.420 10.529 6.881 496 HD11 LEU 66 HD11 LEU 66 -3.809 10.103 9.702 497 HD12 LEU 66 HD12 LEU 66 -2.627 9.256 8.704 498 HD13 LEU 66 HD13 LEU 66 -4.176 9.742 8.016 499 HD21 LEU 66 HD21 LEU 66 -0.903 11.062 9.255 500 HD22 LEU 66 HD22 LEU 66 -2.131 11.822 10.267 501 HD23 LEU 66 HD23 LEU 66 -1.339 12.753 8.996 502 H TRP 67 H TRP 67 0.761 12.698 5.637 503 HA TRP 67 HA TRP 67 0.236 11.984 2.820 504 HD1 TRP 67 HD1 TRP 67 -0.043 15.185 4.995 505 HE1 TRP 67 HE1 TRP 67 -1.515 16.993 3.901 506 HE3 TRP 67 HE3 TRP 67 1.158 14.384 0.081 507 HZ2 TRP 67 HZ2 TRP 67 -2.109 17.942 1.316 508 HZ3 TRP 67 HZ3 TRP 67 0.090 15.783 -1.634 509 HH2 TRP 67 HH2 TRP 67 -1.511 17.523 -1.030 510 HB2 TRP 67 HB2 TRP 67 2.267 13.981 3.847 511 HB3 TRP 67 HB3 TRP 67 2.044 13.519 2.166 512 H VAL 68 H VAL 68 1.660 10.575 1.870 513 HA VAL 68 HA VAL 68 3.942 9.726 3.520 514 HB VAL 68 HB VAL 68 2.318 7.912 3.259 515 HG11 VAL 68 HG11 VAL 68 1.298 8.526 1.148 516 HG12 VAL 68 HG12 VAL 68 1.918 6.877 1.066 517 HG13 VAL 68 HG13 VAL 68 2.807 8.192 0.299 518 HG21 VAL 68 HG21 VAL 68 4.661 7.343 3.467 519 HG22 VAL 68 HG22 VAL 68 4.869 7.471 1.721 520 HG23 VAL 68 HG23 VAL 68 3.851 6.198 2.397 521 H ALA 69 H ALA 69 5.799 10.399 2.783 522 HA ALA 69 HA ALA 69 6.087 11.191 -0.005 523 HB1 ALA 69 HB1 ALA 69 8.214 12.145 0.691 524 HB2 ALA 69 HB2 ALA 69 8.033 11.423 2.289 525 HB3 ALA 69 HB3 ALA 69 6.918 12.682 1.759 526 H SER 70 H SER 70 6.713 9.720 -1.442 527 HA SER 70 HA SER 70 7.749 7.198 -0.805 528 HG SER 70 HG SER 70 6.883 9.526 -3.463 529 HB2 SER 70 HB2 SER 70 8.397 7.165 -3.278 530 HB3 SER 70 HB3 SER 70 6.694 7.436 -2.908 531 HA PRO 71 HA PRO 71 11.885 8.101 0.324 532 HB2 PRO 71 HB2 PRO 71 13.053 5.689 -0.230 533 HB3 PRO 71 HB3 PRO 71 12.030 5.980 1.183 534 HG2 PRO 71 HG2 PRO 71 11.319 4.732 -1.446 535 HG3 PRO 71 HG3 PRO 71 10.878 4.213 0.193 536 HD2 PRO 71 HD2 PRO 71 9.156 5.560 -1.369 537 HD3 PRO 71 HD3 PRO 71 9.218 5.820 0.388 538 H LEU 72 H LEU 72 11.266 6.736 -2.848 539 HA LEU 72 HA LEU 72 13.938 7.439 -3.775 540 HG LEU 72 HG LEU 72 12.610 4.637 -3.382 541 HB2 LEU 72 HB2 LEU 72 11.672 6.037 -5.191 542 HB3 LEU 72 HB3 LEU 72 13.285 6.263 -5.838 543 HD11 LEU 72 HD11 LEU 72 13.171 2.703 -4.776 544 HD12 LEU 72 HD12 LEU 72 13.370 3.767 -6.170 545 HD13 LEU 72 HD13 LEU 72 11.784 3.587 -5.416 546 HD21 LEU 72 HD21 LEU 72 14.834 5.633 -3.277 547 HD22 LEU 72 HD22 LEU 72 15.209 4.977 -4.871 548 HD23 LEU 72 HD23 LEU 72 14.927 3.887 -3.513 549 H LYS 73 H LYS 73 10.577 8.040 -4.797 550 HA LYS 73 HA LYS 73 11.528 10.040 -6.681 551 HB2 LYS 73 HB2 LYS 73 8.763 8.897 -6.241 552 HB3 LYS 73 HB3 LYS 73 9.222 9.985 -7.548 553 HG2 LYS 73 HG2 LYS 73 10.755 8.337 -8.430 554 HG3 LYS 73 HG3 LYS 73 10.409 7.255 -7.082 555 HD2 LYS 73 HD2 LYS 73 8.083 7.074 -7.826 556 HD3 LYS 73 HD3 LYS 73 8.429 8.169 -9.170 557 HE2 LYS 73 HE2 LYS 73 10.035 6.587 -10.077 558 HE3 LYS 73 HE3 LYS 73 9.783 5.513 -8.704 559 HZ1 LYS 73 HZ1 LYS 73 7.741 6.244 -10.733 560 HZ2 LYS 73 HZ2 LYS 73 7.486 5.225 -9.394 561 HZ3 LYS 73 HZ3 LYS 73 8.553 4.763 -10.622 562 H LYS 74 H LYS 74 10.238 9.912 -3.559 563 HA LYS 74 HA LYS 74 9.785 11.473 -2.011 564 HB2 LYS 74 HB2 LYS 74 11.223 13.125 -4.039 565 HB3 LYS 74 HB3 LYS 74 10.480 13.904 -2.648 566 HG2 LYS 74 HG2 LYS 74 11.774 12.456 -1.159 567 HG3 LYS 74 HG3 LYS 74 12.538 11.711 -2.563 568 HD2 LYS 74 HD2 LYS 74 13.650 13.712 -3.139 569 HD3 LYS 74 HD3 LYS 74 12.657 14.669 -2.036 570 HE2 LYS 74 HE2 LYS 74 14.589 12.514 -1.195 571 HE3 LYS 74 HE3 LYS 74 14.939 14.243 -1.174 572 HZ1 LYS 74 HZ1 LYS 74 14.199 13.253 0.998 573 HZ2 LYS 74 HZ2 LYS 74 12.668 13.046 0.311 574 HZ3 LYS 74 HZ3 LYS 74 13.311 14.602 0.481 575 H GLN 75 H GLN 75 8.007 11.147 -4.631 576 HA GLN 75 HA GLN 75 6.311 13.405 -4.573 577 HB2 GLN 75 HB2 GLN 75 5.758 10.541 -5.376 578 HB3 GLN 75 HB3 GLN 75 4.629 11.868 -5.623 579 HG2 GLN 75 HG2 GLN 75 6.256 12.994 -7.053 580 HG3 GLN 75 HG3 GLN 75 7.395 11.672 -6.803 581 HE21 GLN 75 HE21 GLN 75 7.478 11.229 -9.007 582 HE22 GLN 75 HE22 GLN 75 6.168 10.458 -9.841 583 H HIS 76 H HIS 76 4.819 13.998 -3.146 584 HA HIS 76 HA HIS 76 4.514 12.359 -0.755 585 HD1 HIS 76 HD1 HIS 76 6.663 14.995 -1.666 586 HD2 HIS 76 HD2 HIS 76 4.991 14.803 2.137 587 HE1 HIS 76 HE1 HIS 76 8.526 15.551 -0.080 588 HE2 HIS 76 HE2 HIS 76 7.449 15.607 2.201 589 HB2 HIS 76 HB2 HIS 76 3.862 15.232 -1.388 590 HB3 HIS 76 HB3 HIS 76 3.299 14.455 0.086 591 H PHE 77 H PHE 77 3.011 10.811 -1.121 592 HA PHE 77 HA PHE 77 0.583 11.450 -2.565 593 HD1 PHE 77 HD2 PHE 77 0.463 9.554 -4.698 594 HD2 PHE 77 HD1 PHE 77 3.592 8.543 -1.994 595 HE1 PHE 77 HE2 PHE 77 1.928 9.016 -6.598 596 HE2 PHE 77 HE1 PHE 77 5.061 8.005 -3.893 597 HZ PHE 77 HZ PHE 77 4.229 8.239 -6.195 598 HB2 PHE 77 HB2 PHE 77 1.399 8.876 -1.193 599 HB3 PHE 77 HB3 PHE 77 0.038 9.075 -2.293 600 H ARG 78 H ARG 78 -1.140 12.252 -1.631 601 HA ARG 78 HA ARG 78 -1.374 12.358 1.237 602 HE ARG 78 HE ARG 78 -5.477 15.020 2.522 603 HB2 ARG 78 HB2 ARG 78 -2.070 14.240 -0.191 604 HB3 ARG 78 HB3 ARG 78 -3.300 13.222 -0.927 605 HG2 ARG 78 HG2 ARG 78 -4.473 13.045 1.168 606 HG3 ARG 78 HG3 ARG 78 -3.199 13.948 1.990 607 HD2 ARG 78 HD2 ARG 78 -3.702 15.929 0.750 608 HD3 ARG 78 HD3 ARG 78 -4.812 15.049 -0.301 609 HH11 ARG 78 HH11 ARG 78 -5.969 16.556 -0.594 610 HH12 ARG 78 HH12 ARG 78 -7.474 17.282 -0.135 611 HH21 ARG 78 HH21 ARG 78 -7.426 16.002 3.132 612 HH22 ARG 78 HH22 ARG 78 -8.291 17.003 1.993 613 H LEU 79 H LEU 79 -2.339 10.898 2.478 614 HA LEU 79 HA LEU 79 -3.241 8.460 1.335 615 HG LEU 79 HG LEU 79 -1.091 9.352 3.472 616 HB2 LEU 79 HB2 LEU 79 -3.437 9.430 4.186 617 HB3 LEU 79 HB3 LEU 79 -3.659 7.773 3.653 618 HD11 LEU 79 HD11 LEU 79 -0.276 7.845 5.182 619 HD12 LEU 79 HD12 LEU 79 -1.833 7.016 5.227 620 HD13 LEU 79 HD13 LEU 79 -1.709 8.694 5.758 621 HD21 LEU 79 HD21 LEU 79 -0.086 7.249 2.756 622 HD22 LEU 79 HD22 LEU 79 -1.340 7.768 1.628 623 HD23 LEU 79 HD23 LEU 79 -1.671 6.476 2.781 624 H TYR 80 H TYR 80 -4.912 11.226 2.708 625 HA TYR 80 HA TYR 80 -7.447 9.871 2.815 626 HD1 TYR 80 HD2 TYR 80 -9.372 10.670 4.677 627 HD2 TYR 80 HD1 TYR 80 -8.383 14.101 2.366 628 HE1 TYR 80 HE2 TYR 80 -11.733 11.362 4.698 629 HE2 TYR 80 HE1 TYR 80 -10.737 14.800 2.383 630 HH TYR 80 HH TYR 80 -12.958 13.753 2.645 631 HB2 TYR 80 HB2 TYR 80 -7.000 11.555 4.478 632 HB3 TYR 80 HB3 TYR 80 -6.658 12.760 3.241 633 H ASP 81 H ASP 81 -5.698 11.498 0.380 634 HA ASP 81 HA ASP 81 -8.183 12.177 -1.043 635 HB2 ASP 81 HB2 ASP 81 -6.964 14.167 -0.410 636 HB3 ASP 81 HB3 ASP 81 -5.487 13.539 -1.125 637 H GLY 82 H GLY 82 -4.777 11.889 -2.043 638 HA2 GLY 82 HA2 GLY 82 -4.416 9.704 -3.368 639 HA3 GLY 82 HA3 GLY 82 -5.705 10.361 -4.366 640 H PHE 83 H PHE 83 -4.724 13.135 -3.915 641 HA PHE 83 HA PHE 83 -3.044 13.344 -6.169 642 HD1 PHE 83 HD1 PHE 83 -4.281 14.108 -7.407 643 HD2 PHE 83 HD2 PHE 83 -5.455 16.806 -4.331 644 HE1 PHE 83 HE1 PHE 83 -6.318 14.655 -8.671 645 HE2 PHE 83 HE2 PHE 83 -7.501 17.354 -5.587 646 HZ PHE 83 HZ PHE 83 -7.930 16.276 -7.762 647 HB2 PHE 83 HB2 PHE 83 -3.664 15.319 -3.974 648 HB3 PHE 83 HB3 PHE 83 -2.686 15.723 -5.379 649 H CYS 84 H CYS 84 -0.879 14.078 -6.336 650 HA CYS 84 HA CYS 84 0.802 12.877 -4.248 651 HG CYS 84 HG CYS 84 -0.289 10.962 -6.142 652 HB2 CYS 84 HB2 CYS 84 1.677 13.562 -7.051 653 HB3 CYS 84 HB3 CYS 84 2.374 12.383 -5.945 654 H LEU 85 H LEU 85 -0.024 15.338 -3.544 655 HA LEU 85 HA LEU 85 0.715 17.323 -2.743 656 HG LEU 85 HG LEU 85 3.293 18.865 -3.120 657 HB2 LEU 85 HB2 LEU 85 2.747 16.065 -2.146 658 HB3 LEU 85 HB3 LEU 85 3.424 16.423 -3.722 659 HD11 LEU 85 HD11 LEU 85 3.119 19.430 -0.750 660 HD12 LEU 85 HD12 LEU 85 2.753 17.748 -0.372 661 HD13 LEU 85 HD13 LEU 85 1.632 18.698 -1.347 662 HD21 LEU 85 HD21 LEU 85 5.380 17.608 -3.037 663 HD22 LEU 85 HD22 LEU 85 5.013 17.094 -1.389 664 HD23 LEU 85 HD23 LEU 85 5.306 18.799 -1.736 665 H GLU 86 H GLU 86 3.095 17.208 -5.364 666 HA GLU 86 HA GLU 86 1.741 19.543 -6.544 667 HB2 GLU 86 HB2 GLU 86 4.633 18.702 -6.828 668 HB3 GLU 86 HB3 GLU 86 3.908 20.158 -7.495 669 HG2 GLU 86 HG2 GLU 86 3.400 20.869 -5.151 670 HG3 GLU 86 HG3 GLU 86 4.359 19.494 -4.599 671 H ASP 87 H ASP 87 2.159 16.307 -6.949 672 HA ASP 87 HA ASP 87 1.936 16.506 -9.880 673 HB2 ASP 87 HB2 ASP 87 3.083 14.311 -8.158 674 HB3 ASP 87 HB3 ASP 87 2.648 14.057 -9.843 675 H GLY 88 H GLY 88 0.525 14.975 -10.921 676 HA2 GLY 88 HA2 GLY 88 -1.437 13.668 -9.165 677 HA3 GLY 88 HA3 GLY 88 -2.003 14.739 -10.443 678 H ALA 89 H ALA 89 0.828 12.776 -10.815 679 HA ALA 89 HA ALA 89 -0.247 11.562 -13.179 680 HB1 ALA 89 HB1 ALA 89 1.946 10.504 -13.376 681 HB2 ALA 89 HB2 ALA 89 2.369 11.061 -11.758 682 HB3 ALA 89 HB3 ALA 89 2.102 12.229 -13.052 683 H TYR 90 H TYR 90 0.617 10.478 -9.929 684 HA TYR 90 HA TYR 90 -0.711 7.924 -10.524 685 HD1 TYR 90 HD1 TYR 90 0.857 6.062 -11.332 686 HD2 TYR 90 HD2 TYR 90 3.470 8.947 -9.612 687 HE1 TYR 90 HE1 TYR 90 2.508 5.605 -13.092 688 HE2 TYR 90 HE2 TYR 90 5.129 8.499 -11.374 689 HH TYR 90 HH TYR 90 4.403 6.778 -14.191 690 HB2 TYR 90 HB2 TYR 90 1.497 8.422 -8.515 691 HB3 TYR 90 HB3 TYR 90 0.725 6.874 -8.841 692 H SER 91 H SER 91 -2.517 9.582 -9.931 693 HA SER 91 HA SER 91 -2.967 10.147 -7.202 694 HG SER 91 HG SER 91 -5.344 9.245 -10.020 695 HB2 SER 91 HB2 SER 91 -5.438 10.243 -8.087 696 HB3 SER 91 HB3 SER 91 -4.268 11.447 -8.625 697 H VAL 92 H VAL 92 -3.067 8.625 -5.706 698 HA VAL 92 HA VAL 92 -3.525 5.903 -6.336 699 HB VAL 92 HB VAL 92 -3.313 5.454 -3.952 700 HG11 VAL 92 HG11 VAL 92 -1.348 7.520 -4.936 701 HG12 VAL 92 HG12 VAL 92 -1.279 5.783 -5.229 702 HG13 VAL 92 HG13 VAL 92 -1.078 6.410 -3.593 703 HG21 VAL 92 HG21 VAL 92 -3.322 8.452 -3.586 704 HG22 VAL 92 HG22 VAL 92 -3.006 7.255 -2.330 705 HG23 VAL 92 HG23 VAL 92 -4.599 7.346 -3.081 706 H ALA 93 H ALA 93 -5.288 4.649 -6.165 707 HA ALA 93 HA ALA 93 -7.849 5.852 -5.879 708 HB1 ALA 93 HB1 ALA 93 -7.104 2.927 -5.943 709 HB2 ALA 93 HB2 ALA 93 -7.499 3.927 -7.341 710 HB3 ALA 93 HB3 ALA 93 -8.731 3.587 -6.126 711 H ALA 94 H ALA 94 -8.457 6.593 -3.965 712 HA ALA 94 HA ALA 94 -7.571 5.414 -1.509 713 HB1 ALA 94 HB1 ALA 94 -9.539 7.654 -1.983 714 HB2 ALA 94 HB2 ALA 94 -7.807 7.836 -1.709 715 HB3 ALA 94 HB3 ALA 94 -8.838 7.202 -0.428 716 H TYR 95 H TYR 95 -8.437 3.342 -1.621 717 HA TYR 95 HA TYR 95 -11.291 2.947 -1.596 718 HD1 TYR 95 HD2 TYR 95 -11.801 1.698 -3.361 719 HD2 TYR 95 HD1 TYR 95 -7.841 0.263 -2.772 720 HE1 TYR 95 HE2 TYR 95 -11.601 1.278 -5.776 721 HE2 TYR 95 HE1 TYR 95 -7.633 -0.165 -5.184 722 HH TYR 95 HH TYR 95 -9.281 -0.635 -7.126 723 HB2 TYR 95 HB2 TYR 95 -9.010 1.061 -0.954 724 HB3 TYR 95 HB3 TYR 95 -10.704 0.590 -1.018 725 H ASP 96 H ASP 96 -12.099 1.504 0.348 726 HA ASP 96 HA ASP 96 -11.238 2.885 2.800 727 HB2 ASP 96 HB2 ASP 96 -13.613 3.305 1.913 728 HB3 ASP 96 HB3 ASP 96 -13.961 1.653 2.415 729 H THR 97 H THR 97 -11.071 1.712 4.690 730 HA THR 97 HA THR 97 -10.990 -1.241 4.403 731 HB THR 97 HB THR 97 -9.053 0.247 6.149 732 HG1 THR 97 HG1 THR 97 -9.205 0.673 3.550 733 HG21 THR 97 HG21 THR 97 -7.624 -1.671 5.650 734 HG22 THR 97 HG22 THR 97 -8.856 -2.309 4.561 735 HG23 THR 97 HG23 THR 97 -9.185 -2.188 6.289 736 H GLN 98 H GLN 98 -11.296 -2.361 6.443 737 HA GLN 98 HA GLN 98 -11.887 -0.813 8.805 738 HB2 GLN 98 HB2 GLN 98 -14.112 -1.834 9.169 739 HB3 GLN 98 HB3 GLN 98 -14.065 -0.748 7.790 740 HG2 GLN 98 HG2 GLN 98 -13.921 -2.686 6.288 741 HG3 GLN 98 HG3 GLN 98 -14.017 -3.756 7.688 742 HE21 GLN 98 HE21 GLN 98 -15.790 -0.769 7.485 743 HE22 GLN 98 HE22 GLN 98 -17.362 -1.483 7.350 744 H VAL 99 H VAL 99 -11.636 -1.904 10.665 745 HA VAL 99 HA VAL 99 -10.800 -4.722 10.455 746 HB VAL 99 HB VAL 99 -10.206 -2.747 12.672 747 HG11 VAL 99 HG11 VAL 99 -10.247 -5.048 13.455 748 HG12 VAL 99 HG12 VAL 99 -8.598 -4.425 13.448 749 HG13 VAL 99 HG13 VAL 99 -9.132 -5.521 12.174 750 HG21 VAL 99 HG21 VAL 99 -9.065 -2.098 10.621 751 HG22 VAL 99 HG22 VAL 99 -8.414 -3.729 10.449 752 HG23 VAL 99 HG23 VAL 99 -7.911 -2.716 11.803 753 H THR 100 H THR 100 -12.626 -5.887 10.777 754 HA THR 100 HA THR 100 -14.623 -4.816 12.601 755 HB THR 100 HB THR 100 -15.430 -5.345 10.402 756 HG1 THR 100 HG1 THR 100 -16.632 -6.006 12.477 757 HG21 THR 100 HG21 THR 100 -13.781 -7.030 9.776 758 HG22 THR 100 HG22 THR 100 -15.421 -7.626 9.517 759 HG23 THR 100 HG23 THR 100 -14.496 -8.167 10.919 760 H ASN 101 H ASN 101 -12.596 -7.659 12.245 761 HA ASN 101 HA ASN 101 -13.372 -8.435 14.970 762 HB2 ASN 101 HB2 ASN 101 -13.169 -10.353 12.634 763 HB3 ASN 101 HB3 ASN 101 -13.344 -10.836 14.316 764 HD21 ASN 101 HD21 ASN 101 -14.919 -9.752 11.500 765 HD22 ASN 101 HD22 ASN 101 -16.532 -9.730 12.123 766 H GLY 102 H GLY 102 -11.078 -7.019 14.011 767 HA2 GLY 102 HA2 GLY 102 -8.818 -7.088 14.638 768 HA3 GLY 102 HA3 GLY 102 -8.967 -8.820 14.908 769 H ASN 103 H ASN 103 -10.398 -8.689 12.160 770 HA ASN 103 HA ASN 103 -7.961 -8.962 10.577 771 HB2 ASN 103 HB2 ASN 103 -9.595 -10.089 8.931 772 HB3 ASN 103 HB3 ASN 103 -9.161 -10.961 10.395 773 HD21 ASN 103 HD21 ASN 103 -10.955 -12.212 10.441 774 HD22 ASN 103 HD22 ASN 103 -12.550 -11.606 10.753 775 H VAL 104 H VAL 104 -7.866 -8.087 8.491 776 HA VAL 104 HA VAL 104 -9.141 -5.456 8.396 777 HB VAL 104 HB VAL 104 -6.729 -6.555 6.929 778 HG11 VAL 104 HG11 VAL 104 -6.310 -4.245 6.239 779 HG12 VAL 104 HG12 VAL 104 -7.824 -3.745 6.991 780 HG13 VAL 104 HG13 VAL 104 -7.846 -4.839 5.607 781 HG21 VAL 104 HG21 VAL 104 -6.328 -6.274 9.308 782 HG22 VAL 104 HG22 VAL 104 -6.937 -4.621 9.234 783 HG23 VAL 104 HG23 VAL 104 -5.450 -5.053 8.389 784 H GLN 105 H GLN 105 -10.822 -5.167 7.071 785 HA GLN 105 HA GLN 105 -10.904 -6.729 4.572 786 HB2 GLN 105 HB2 GLN 105 -13.252 -5.495 6.024 787 HB3 GLN 105 HB3 GLN 105 -13.324 -6.472 4.566 788 HG2 GLN 105 HG2 GLN 105 -12.291 -8.335 5.942 789 HG3 GLN 105 HG3 GLN 105 -12.645 -7.340 7.354 790 HE21 GLN 105 HE21 GLN 105 -13.944 -9.350 4.869 791 HE22 GLN 105 HE22 GLN 105 -15.563 -9.404 5.469 792 H ILE 106 H ILE 106 -11.257 -5.653 2.676 793 HA ILE 106 HA ILE 106 -11.316 -2.722 2.778 794 HB ILE 106 HB ILE 106 -10.011 -2.787 0.617 795 HG12 ILE 106 HG12 ILE 106 -8.513 -4.926 0.507 796 HG13 ILE 106 HG13 ILE 106 -9.835 -5.691 1.379 797 HG21 ILE 106 HG21 ILE 106 -7.857 -3.083 1.735 798 HG22 ILE 106 HG22 ILE 106 -8.675 -3.866 3.087 799 HG23 ILE 106 HG23 ILE 106 -8.995 -2.170 2.727 800 HD11 ILE 106 HD11 ILE 106 -10.043 -6.118 -0.975 801 HD12 ILE 106 HD12 ILE 106 -9.986 -4.391 -1.329 802 HD13 ILE 106 HD13 ILE 106 -11.357 -5.066 -0.450 803 H SER 107 H SER 107 -12.390 -1.668 1.028 804 HA SER 107 HA SER 107 -14.293 -3.416 -0.388 805 HG SER 107 HG SER 107 -16.931 -1.275 -0.096 806 HB2 SER 107 HB2 SER 107 -15.286 -1.766 1.240 807 HB3 SER 107 HB3 SER 107 -14.646 -0.471 0.229 808 H ILE 108 H ILE 108 -13.353 -3.795 -2.308 809 HA ILE 108 HA ILE 108 -12.334 -1.472 -3.799 810 HB ILE 108 HB ILE 108 -11.232 -3.202 -5.283 811 HG12 ILE 108 HG12 ILE 108 -11.821 -5.024 -2.937 812 HG13 ILE 108 HG13 ILE 108 -12.581 -5.140 -4.521 813 HG21 ILE 108 HG21 ILE 108 -9.952 -1.883 -3.729 814 HG22 ILE 108 HG22 ILE 108 -9.344 -3.538 -3.725 815 HG23 ILE 108 HG23 ILE 108 -10.367 -2.970 -2.406 816 HD11 ILE 108 HD11 ILE 108 -10.402 -5.615 -5.522 817 HD12 ILE 108 HD12 ILE 108 -10.827 -6.788 -4.277 818 HD13 ILE 108 HD13 ILE 108 -9.654 -5.520 -3.928 819 H ALA 109 H ALA 109 -13.848 -0.658 -5.087 820 HA ALA 109 HA ALA 109 -15.662 -2.468 -6.487 821 HB1 ALA 109 HB1 ALA 109 -16.907 -0.469 -7.120 822 HB2 ALA 109 HB2 ALA 109 -15.659 0.549 -6.399 823 HB3 ALA 109 HB3 ALA 109 -16.636 -0.504 -5.375 824 H ASP 110 H ASP 110 -12.726 -1.817 -6.971 825 HA ASP 110 HA ASP 110 -12.872 -1.924 -9.852 826 HB2 ASP 110 HB2 ASP 110 -12.767 0.486 -9.537 827 HB3 ASP 110 HB3 ASP 110 -11.396 0.313 -8.447 828 H SER 111 H SER 111 -11.287 -3.158 -10.651 829 HA SER 111 HA SER 111 -9.254 -4.105 -8.743 830 HG SER 111 HG SER 111 -11.169 -6.587 -8.806 831 HB2 SER 111 HB2 SER 111 -10.323 -5.581 -11.154 832 HB3 SER 111 HB3 SER 111 -9.368 -6.236 -9.824 833 H ASP 112 H ASP 112 -9.240 -1.839 -10.753 834 HA ASP 112 HA ASP 112 -7.951 -0.876 -12.334 835 HB2 ASP 112 HB2 ASP 112 -6.285 -1.154 -10.534 836 HB3 ASP 112 HB3 ASP 112 -5.836 -2.719 -11.208 837 H VAL 113 H VAL 113 -6.007 -3.644 -12.613 838 HA VAL 113 HA VAL 113 -7.444 -4.683 -14.936 839 HB VAL 113 HB VAL 113 -4.450 -4.272 -14.937 840 HG11 VAL 113 HG11 VAL 113 -6.297 -5.326 -17.066 841 HG12 VAL 113 HG12 VAL 113 -5.138 -6.268 -16.129 842 HG13 VAL 113 HG13 VAL 113 -4.569 -5.039 -17.260 843 HG21 VAL 113 HG21 VAL 113 -6.566 -2.821 -16.523 844 HG22 VAL 113 HG22 VAL 113 -4.825 -2.655 -16.755 845 HG23 VAL 113 HG23 VAL 113 -5.568 -2.131 -15.244 846 H ALA 114 H ALA 114 -7.779 -6.751 -14.595 847 HA ALA 114 HA ALA 114 -6.696 -8.029 -12.294 848 HB1 ALA 114 HB1 ALA 114 -8.993 -8.418 -13.010 849 HB2 ALA 114 HB2 ALA 114 -8.083 -9.926 -12.924 850 HB3 ALA 114 HB3 ALA 114 -8.407 -9.181 -14.488 851 H VAL 115 H VAL 115 -4.878 -9.092 -12.128 852 HA VAL 115 HA VAL 115 -4.039 -10.856 -14.291 853 HB VAL 115 HB VAL 115 -2.675 -8.920 -14.714 854 HG11 VAL 115 HG11 VAL 115 -2.857 -7.788 -12.585 855 HG12 VAL 115 HG12 VAL 115 -1.160 -7.978 -13.026 856 HG13 VAL 115 HG13 VAL 115 -1.881 -9.035 -11.811 857 HG21 VAL 115 HG21 VAL 115 -1.575 -11.067 -14.961 858 HG22 VAL 115 HG22 VAL 115 -1.079 -11.029 -13.270 859 HG23 VAL 115 HG23 VAL 115 -0.426 -9.849 -14.406 860 H ASP 116 H ASP 116 -3.557 -12.814 -13.501 861 HA ASP 116 HA ASP 116 -3.800 -13.126 -10.624 862 HB2 ASP 116 HB2 ASP 116 -5.203 -14.500 -12.123 863 HB3 ASP 116 HB3 ASP 116 -3.747 -15.235 -12.790 864 H ASN 117 H ASN 117 -2.211 -13.540 -9.299 865 HA ASN 117 HA ASN 117 0.126 -15.014 -10.310 866 HB2 ASN 117 HB2 ASN 117 1.569 -13.843 -8.722 867 HB3 ASN 117 HB3 ASN 117 0.796 -12.690 -9.802 868 HD21 ASN 117 HD21 ASN 117 -0.747 -11.279 -8.987 869 HD22 ASN 117 HD22 ASN 117 -0.941 -11.013 -7.292 870 H SER 118 H SER 118 0.767 -16.745 -9.074 871 HA SER 118 HA SER 118 -1.216 -17.536 -7.066 872 HG SER 118 HG SER 118 -2.000 -18.454 -9.023 873 HB2 SER 118 HB2 SER 118 0.686 -19.243 -8.683 874 HB3 SER 118 HB3 SER 118 -0.564 -19.838 -7.591 875 H GLN 119 H GLN 119 2.002 -16.514 -7.216 876 HA GLN 119 HA GLN 119 2.939 -18.276 -5.109 877 HB2 GLN 119 HB2 GLN 119 4.305 -16.081 -6.661 878 HB3 GLN 119 HB3 GLN 119 5.087 -16.977 -5.365 879 HG2 GLN 119 HG2 GLN 119 4.716 -19.063 -6.613 880 HG3 GLN 119 HG3 GLN 119 4.001 -18.130 -7.924 881 HE21 GLN 119 HE21 GLN 119 6.717 -16.960 -6.094 882 HE22 GLN 119 HE22 GLN 119 7.895 -17.132 -7.349 883 HA PRO 120 HA PRO 120 2.059 -15.115 -2.051 884 HB2 PRO 120 HB2 PRO 120 1.740 -16.763 0.012 885 HB3 PRO 120 HB3 PRO 120 0.529 -16.687 -1.272 886 HG2 PRO 120 HG2 PRO 120 2.600 -18.759 -0.746 887 HG3 PRO 120 HG3 PRO 120 0.965 -18.944 -1.403 888 HD2 PRO 120 HD2 PRO 120 3.381 -18.814 -2.869 889 HD3 PRO 120 HD3 PRO 120 1.734 -18.754 -3.524 890 H LEU 121 H LEU 121 3.045 -14.831 0.266 891 HA LEU 121 HA LEU 121 5.879 -15.620 0.200 892 HG LEU 121 HG LEU 121 5.033 -13.137 -1.416 893 HB2 LEU 121 HB2 LEU 121 4.727 -12.955 1.028 894 HB3 LEU 121 HB3 LEU 121 6.399 -13.427 1.263 895 HD11 LEU 121 HD11 LEU 121 5.346 -10.987 -0.332 896 HD12 LEU 121 HD12 LEU 121 6.465 -11.167 -1.682 897 HD13 LEU 121 HD13 LEU 121 7.041 -11.368 -0.028 898 HD21 LEU 121 HD21 LEU 121 6.784 -14.827 -1.454 899 HD22 LEU 121 HD22 LEU 121 7.913 -13.694 -0.710 900 HD23 LEU 121 HD23 LEU 121 7.293 -13.386 -2.332 901 HA PRO 122 HA PRO 122 4.579 -16.940 4.309 902 HB2 PRO 122 HB2 PRO 122 6.055 -19.159 4.406 903 HB3 PRO 122 HB3 PRO 122 4.610 -19.071 3.391 904 HG2 PRO 122 HG2 PRO 122 7.479 -18.957 2.617 905 HG3 PRO 122 HG3 PRO 122 6.101 -19.627 1.730 906 HD2 PRO 122 HD2 PRO 122 7.294 -17.089 1.352 907 HD3 PRO 122 HD3 PRO 122 5.777 -17.668 0.638 908 H LEU 123 H LEU 123 6.155 -17.972 6.127 909 HA LEU 123 HA LEU 123 8.757 -16.682 6.159 910 HG LEU 123 HG LEU 123 5.465 -16.443 7.793 911 HB2 LEU 123 HB2 LEU 123 8.318 -15.800 8.477 912 HB3 LEU 123 HB3 LEU 123 7.502 -14.953 7.181 913 HD11 LEU 123 HD11 LEU 123 7.058 -16.624 10.345 914 HD12 LEU 123 HD12 LEU 123 6.633 -17.970 9.290 915 HD13 LEU 123 HD13 LEU 123 5.369 -17.088 10.148 916 HD21 LEU 123 HD21 LEU 123 5.584 -14.023 8.104 917 HD22 LEU 123 HD22 LEU 123 6.403 -14.263 9.648 918 HD23 LEU 123 HD23 LEU 123 4.739 -14.807 9.439 919 H GLU 124 H GLU 124 10.020 -17.430 8.155 920 HA GLU 124 HA GLU 124 9.449 -20.286 8.444 921 HB2 GLU 124 HB2 GLU 124 11.778 -20.544 9.114 922 HB3 GLU 124 HB3 GLU 124 11.667 -19.706 7.576 923 HG2 GLU 124 HG2 GLU 124 11.998 -18.230 10.166 924 HG3 GLU 124 HG3 GLU 124 13.372 -18.869 9.269 925 H HIS 125 H HIS 125 8.676 -21.089 10.247 926 HA HIS 125 HA HIS 125 9.016 -19.534 12.725 927 HD1 HIS 125 HD1 HIS 125 6.765 -23.347 13.038 928 HD2 HIS 125 HD2 HIS 125 5.731 -20.785 9.925 929 HE1 HIS 125 HE1 HIS 125 5.496 -24.757 11.386 930 HE2 HIS 125 HE2 HIS 125 5.060 -23.225 9.425 931 HB2 HIS 125 HB2 HIS 125 7.013 -20.803 13.580 932 HB3 HIS 125 HB3 HIS 125 6.675 -19.662 12.288 933 H HIS 126 H HIS 126 9.977 -20.467 14.430 934 HA HIS 126 HA HIS 126 10.590 -23.286 14.446 935 HD1 HIS 126 HD1 HIS 126 14.926 -21.211 14.612 936 HD2 HIS 126 HD2 HIS 126 11.528 -19.609 12.827 937 HE1 HIS 126 HE1 HIS 126 15.474 -18.802 14.147 938 HE2 HIS 126 HE2 HIS 126 13.463 -17.896 12.917 939 HB2 HIS 126 HB2 HIS 126 13.089 -22.860 14.499 940 HB3 HIS 126 HB3 HIS 126 12.320 -22.680 12.930 941 H HIS 127 H HIS 127 10.481 -23.921 16.449 942 HA HIS 127 HA HIS 127 10.607 -21.975 18.611 943 HD1 HIS 127 HD1 HIS 127 8.250 -22.657 20.959 944 HD2 HIS 127 HD2 HIS 127 7.514 -23.539 16.963 945 HE1 HIS 127 HE1 HIS 127 5.920 -21.822 20.498 946 HE2 HIS 127 HE2 HIS 127 5.431 -22.530 18.134 947 HB2 HIS 127 HB2 HIS 127 9.678 -24.816 18.375 948 HB3 HIS 127 HB3 HIS 127 10.000 -24.127 19.960 949 H HIS 128 H HIS 128 11.808 -22.373 20.547 950 HA HIS 128 HA HIS 128 14.137 -24.140 20.250 951 HD1 HIS 128 HD1 HIS 128 17.429 -22.009 20.292 952 HD2 HIS 128 HD2 HIS 128 14.029 -21.740 17.908 953 HE1 HIS 128 HE1 HIS 128 18.266 -21.651 17.950 954 HE2 HIS 128 HE2 HIS 128 16.203 -21.642 16.508 955 HB2 HIS 128 HB2 HIS 128 14.119 -21.227 20.986 956 HB3 HIS 128 HB3 HIS 128 15.374 -22.287 21.611 957 H HIS 129 H HIS 129 15.274 -24.381 22.432 958 HA HIS 129 HA HIS 129 13.642 -23.933 24.776 959 HD1 HIS 129 HD1 HIS 129 15.738 -27.546 25.711 960 HD2 HIS 129 HD2 HIS 129 14.134 -27.526 21.869 961 HE1 HIS 129 HE1 HIS 129 16.977 -29.329 24.443 962 HE2 HIS 129 HE2 HIS 129 16.192 -29.081 22.065 963 HB2 HIS 129 HB2 HIS 129 13.486 -26.241 25.477 964 HB3 HIS 129 HB3 HIS 129 12.787 -26.116 23.868 965 H HIS 130 H HIS 130 14.846 -24.568 26.772 966 HA HIS 130 HA HIS 130 17.679 -24.105 26.434 967 HD1 HIS 130 HD1 HIS 130 17.568 -26.223 30.131 968 HD2 HIS 130 HD2 HIS 130 13.995 -24.257 29.296 969 HE1 HIS 130 HE1 HIS 130 15.834 -27.308 31.597 970 HE2 HIS 130 HE2 HIS 130 13.727 -25.975 31.211 971 HB2 HIS 130 HB2 HIS 130 17.842 -24.005 28.821 972 HB3 HIS 130 HB3 HIS 130 16.384 -23.140 28.361 Start of MODEL 11 1 HA MET 1 HA MET 1 -20.323 -8.775 4.808 2 H1 MET 1 H1 MET 1 -21.742 -10.489 5.551 3 H2 MET 1 H2 MET 1 -20.422 -10.433 6.614 4 H3 MET 1 H3 MET 1 -20.515 -11.655 5.445 5 HB2 MET 1 HB2 MET 1 -18.156 -10.884 4.871 6 HB3 MET 1 HB3 MET 1 -17.972 -9.292 4.152 7 HG2 MET 1 HG2 MET 1 -16.954 -9.225 6.285 8 HG3 MET 1 HG3 MET 1 -18.460 -8.318 6.403 9 HE1 MET 1 HE1 MET 1 -18.073 -9.944 9.963 10 HE2 MET 1 HE2 MET 1 -18.226 -8.437 9.059 11 HE3 MET 1 HE3 MET 1 -16.758 -9.404 8.920 12 H SER 2 H SER 2 -21.092 -8.452 2.816 13 HA SER 2 HA SER 2 -21.438 -10.730 1.058 14 HG SER 2 HG SER 2 -22.486 -7.013 0.044 15 HB2 SER 2 HB2 SER 2 -22.602 -9.049 -0.413 16 HB3 SER 2 HB3 SER 2 -23.295 -9.221 1.199 17 H GLN 3 H GLN 3 -20.181 -7.443 0.402 18 HA GLN 3 HA GLN 3 -18.447 -8.641 -1.632 19 HB2 GLN 3 HB2 GLN 3 -18.302 -6.404 -2.596 20 HB3 GLN 3 HB3 GLN 3 -19.980 -6.884 -2.390 21 HG2 GLN 3 HG2 GLN 3 -20.061 -5.558 -0.306 22 HG3 GLN 3 HG3 GLN 3 -18.417 -5.010 -0.630 23 HE21 GLN 3 HE21 GLN 3 -18.984 -2.873 -0.796 24 HE22 GLN 3 HE22 GLN 3 -19.904 -2.239 -2.126 25 H TRP 4 H TRP 4 -18.119 -8.083 1.435 26 HA TRP 4 HA TRP 4 -15.711 -6.497 1.473 27 HD1 TRP 4 HD1 TRP 4 -19.387 -6.711 3.426 28 HE1 TRP 4 HE1 TRP 4 -20.010 -4.257 3.898 29 HE3 TRP 4 HE3 TRP 4 -14.684 -4.748 3.751 30 HZ2 TRP 4 HZ2 TRP 4 -18.666 -1.812 4.340 31 HZ3 TRP 4 HZ3 TRP 4 -14.437 -2.343 4.198 32 HH2 TRP 4 HH2 TRP 4 -16.386 -0.903 4.483 33 HB2 TRP 4 HB2 TRP 4 -17.135 -8.070 3.621 34 HB3 TRP 4 HB3 TRP 4 -15.653 -7.161 3.906 35 H THR 5 H THR 5 -13.877 -7.291 0.814 36 HA THR 5 HA THR 5 -13.464 -10.188 0.823 37 HB THR 5 HB THR 5 -11.685 -8.109 -0.452 38 HG1 THR 5 HG1 THR 5 -14.178 -8.421 -1.065 39 HG21 THR 5 HG21 THR 5 -10.719 -10.328 -0.301 40 HG22 THR 5 HG22 THR 5 -11.146 -9.987 -1.979 41 HG23 THR 5 HG23 THR 5 -12.171 -11.041 -1.004 42 H THR 6 H THR 6 -12.135 -11.126 2.271 43 HA THR 6 HA THR 6 -10.836 -9.542 4.267 44 HB THR 6 HB THR 6 -10.517 -12.510 3.752 45 HG1 THR 6 HG1 THR 6 -12.689 -12.124 4.081 46 HG21 THR 6 HG21 THR 6 -9.962 -12.615 6.132 47 HG22 THR 6 HG22 THR 6 -10.132 -10.864 6.259 48 HG23 THR 6 HG23 THR 6 -8.843 -11.557 5.274 49 H VAL 7 H VAL 7 -8.800 -8.843 4.361 50 HA VAL 7 HA VAL 7 -6.948 -9.582 2.225 51 HB VAL 7 HB VAL 7 -6.607 -7.545 4.440 52 HG11 VAL 7 HG11 VAL 7 -4.488 -8.348 3.542 53 HG12 VAL 7 HG12 VAL 7 -4.779 -6.670 3.081 54 HG13 VAL 7 HG13 VAL 7 -5.027 -7.963 1.907 55 HG21 VAL 7 HG21 VAL 7 -7.409 -7.127 1.563 56 HG22 VAL 7 HG22 VAL 7 -7.098 -5.857 2.745 57 HG23 VAL 7 HG23 VAL 7 -8.462 -6.953 2.968 58 H CYS 8 H CYS 8 -6.625 -9.053 5.719 59 HA CYS 8 HA CYS 8 -5.669 -11.648 6.307 60 HG CYS 8 HG CYS 8 -1.603 -11.164 7.112 61 HB2 CYS 8 HB2 CYS 8 -3.681 -10.653 5.067 62 HB3 CYS 8 HB3 CYS 8 -3.543 -9.488 6.379 63 H LYS 9 H LYS 9 -4.187 -11.130 8.572 64 HA LYS 9 HA LYS 9 -6.189 -10.093 10.361 65 HB2 LYS 9 HB2 LYS 9 -3.331 -10.901 10.926 66 HB3 LYS 9 HB3 LYS 9 -4.576 -10.615 12.127 67 HG2 LYS 9 HG2 LYS 9 -5.818 -12.544 11.324 68 HG3 LYS 9 HG3 LYS 9 -4.596 -12.820 10.078 69 HD2 LYS 9 HD2 LYS 9 -2.902 -13.157 11.789 70 HD3 LYS 9 HD3 LYS 9 -4.087 -12.823 13.051 71 HE2 LYS 9 HE2 LYS 9 -5.381 -14.786 12.315 72 HE3 LYS 9 HE3 LYS 9 -4.139 -15.127 11.108 73 HZ1 LYS 9 HZ1 LYS 9 -3.662 -15.015 14.038 74 HZ2 LYS 9 HZ2 LYS 9 -2.539 -15.457 12.850 75 HZ3 LYS 9 HZ3 LYS 9 -3.888 -16.442 13.147 76 H LEU 10 H LEU 10 -5.965 -8.280 11.740 77 HA LEU 10 HA LEU 10 -4.324 -6.097 10.839 78 HG LEU 10 HG LEU 10 -4.259 -4.828 13.800 79 HB2 LEU 10 HB2 LEU 10 -6.453 -5.632 11.889 80 HB3 LEU 10 HB3 LEU 10 -5.997 -6.534 13.319 81 HD11 LEU 10 HD11 LEU 10 -3.909 -4.010 11.534 82 HD12 LEU 10 HD12 LEU 10 -4.346 -2.693 12.625 83 HD13 LEU 10 HD13 LEU 10 -5.545 -3.348 11.510 84 HD21 LEU 10 HD21 LEU 10 -7.067 -3.778 13.511 85 HD22 LEU 10 HD22 LEU 10 -5.817 -3.119 14.566 86 HD23 LEU 10 HD23 LEU 10 -6.452 -4.739 14.855 87 H ASP 11 H ASP 11 -4.130 -8.687 13.050 88 HA ASP 11 HA ASP 11 -1.992 -7.796 14.690 89 HB2 ASP 11 HB2 ASP 11 -3.417 -9.508 15.541 90 HB3 ASP 11 HB3 ASP 11 -3.206 -10.496 14.101 91 H ASP 12 H ASP 12 -2.255 -9.452 11.645 92 HA ASP 12 HA ASP 12 0.503 -10.267 11.525 93 HB2 ASP 12 HB2 ASP 12 -1.257 -11.577 10.403 94 HB3 ASP 12 HB3 ASP 12 -1.634 -10.199 9.375 95 H ILE 13 H ILE 13 -1.215 -7.414 10.968 96 HA ILE 13 HA ILE 13 0.747 -6.355 9.075 97 HB ILE 13 HB ILE 13 -1.707 -5.035 10.256 98 HG12 ILE 13 HG12 ILE 13 -1.230 -6.146 7.479 99 HG13 ILE 13 HG13 ILE 13 -2.178 -6.945 8.731 100 HG21 ILE 13 HG21 ILE 13 -0.026 -3.384 9.656 101 HG22 ILE 13 HG22 ILE 13 -1.362 -3.332 8.504 102 HG23 ILE 13 HG23 ILE 13 0.153 -4.119 8.061 103 HD11 ILE 13 HD11 ILE 13 -2.803 -4.293 7.449 104 HD12 ILE 13 HD12 ILE 13 -3.752 -5.074 8.715 105 HD13 ILE 13 HD13 ILE 13 -3.606 -5.830 7.129 106 H LEU 14 H LEU 14 2.549 -5.488 9.816 107 HA LEU 14 HA LEU 14 3.043 -5.013 12.546 108 HG LEU 14 HG LEU 14 4.479 -6.536 10.239 109 HB2 LEU 14 HB2 LEU 14 4.560 -4.080 10.113 110 HB3 LEU 14 HB3 LEU 14 5.161 -4.017 11.756 111 HD11 LEU 14 HD11 LEU 14 6.875 -6.920 10.190 112 HD12 LEU 14 HD12 LEU 14 7.157 -5.386 11.011 113 HD13 LEU 14 HD13 LEU 14 6.476 -5.402 9.384 114 HD21 LEU 14 HD21 LEU 14 5.576 -7.670 12.141 115 HD22 LEU 14 HD22 LEU 14 4.097 -6.830 12.606 116 HD23 LEU 14 HD23 LEU 14 5.668 -6.121 12.980 117 HA PRO 15 HA PRO 15 1.291 -0.940 12.977 118 HB2 PRO 15 HB2 PRO 15 2.446 -0.386 15.394 119 HB3 PRO 15 HB3 PRO 15 0.997 -1.380 15.206 120 HG2 PRO 15 HG2 PRO 15 3.837 -2.225 15.588 121 HG3 PRO 15 HG3 PRO 15 2.360 -2.907 16.293 122 HD2 PRO 15 HD2 PRO 15 3.637 -4.055 14.209 123 HD3 PRO 15 HD3 PRO 15 1.874 -4.129 14.402 124 H GLY 16 H GLY 16 2.006 0.808 11.995 125 HA2 GLY 16 HA2 GLY 16 3.426 2.687 11.797 126 HA3 GLY 16 HA3 GLY 16 4.743 1.741 12.475 127 H THR 17 H THR 17 2.650 0.541 9.917 128 HA THR 17 HA THR 17 4.483 1.143 7.792 129 HB THR 17 HB THR 17 4.670 -1.562 7.495 130 HG1 THR 17 HG1 THR 17 3.857 -1.627 9.797 131 HG21 THR 17 HG21 THR 17 6.650 0.221 8.913 132 HG22 THR 17 HG22 THR 17 6.485 0.040 7.167 133 HG23 THR 17 HG23 THR 17 7.019 -1.325 8.149 134 H GLY 18 H GLY 18 3.894 -0.136 5.767 135 HA2 GLY 18 HA2 GLY 18 1.102 -1.059 5.799 136 HA3 GLY 18 HA3 GLY 18 1.591 0.184 4.653 137 H VAL 19 H VAL 19 0.612 -2.628 4.243 138 HA VAL 19 HA VAL 19 2.910 -3.582 2.681 139 HB VAL 19 HB VAL 19 2.245 -5.922 3.152 140 HG11 VAL 19 HG11 VAL 19 4.054 -4.915 4.413 141 HG12 VAL 19 HG12 VAL 19 3.128 -6.007 5.443 142 HG13 VAL 19 HG13 VAL 19 2.907 -4.263 5.583 143 HG21 VAL 19 HG21 VAL 19 0.736 -6.390 5.030 144 HG22 VAL 19 HG22 VAL 19 -0.094 -5.547 3.722 145 HG23 VAL 19 HG23 VAL 19 0.386 -4.667 5.174 146 H CYS 20 H CYS 20 2.525 -4.534 0.693 147 HA CYS 20 HA CYS 20 -0.046 -3.919 -0.483 148 HG CYS 20 HG CYS 20 2.866 -6.567 -1.128 149 HB2 CYS 20 HB2 CYS 20 1.056 -4.668 -2.587 150 HB3 CYS 20 HB3 CYS 20 1.927 -3.378 -1.763 151 H ALA 21 H ALA 21 -1.617 -5.324 -0.915 152 HA ALA 21 HA ALA 21 -0.958 -8.197 -0.923 153 HB1 ALA 21 HB1 ALA 21 -3.155 -8.652 0.062 154 HB2 ALA 21 HB2 ALA 21 -3.461 -6.919 0.177 155 HB3 ALA 21 HB3 ALA 21 -2.164 -7.651 1.122 156 H LEU 22 H LEU 22 -1.397 -9.144 -2.796 157 HA LEU 22 HA LEU 22 -2.888 -7.848 -4.859 158 HG LEU 22 HG LEU 22 -1.647 -10.486 -7.191 159 HB2 LEU 22 HB2 LEU 22 -0.962 -9.496 -5.150 160 HB3 LEU 22 HB3 LEU 22 -2.097 -10.761 -4.739 161 HD11 LEU 22 HD11 LEU 22 -3.658 -11.622 -6.423 162 HD12 LEU 22 HD12 LEU 22 -3.967 -10.708 -7.897 163 HD13 LEU 22 HD13 LEU 22 -4.511 -10.081 -6.340 164 HD21 LEU 22 HD21 LEU 22 -2.747 -8.651 -8.373 165 HD22 LEU 22 HD22 LEU 22 -1.492 -8.068 -7.281 166 HD23 LEU 22 HD23 LEU 22 -3.191 -7.923 -6.829 167 H VAL 23 H VAL 23 -4.987 -7.517 -4.402 168 HA VAL 23 HA VAL 23 -6.535 -9.779 -3.329 169 HB VAL 23 HB VAL 23 -7.250 -6.842 -3.223 170 HG11 VAL 23 HG11 VAL 23 -8.519 -9.227 -1.879 171 HG12 VAL 23 HG12 VAL 23 -9.192 -8.328 -3.238 172 HG13 VAL 23 HG13 VAL 23 -8.997 -7.542 -1.671 173 HG21 VAL 23 HG21 VAL 23 -6.730 -6.984 -0.830 174 HG22 VAL 23 HG22 VAL 23 -5.311 -7.322 -1.821 175 HG23 VAL 23 HG23 VAL 23 -6.182 -8.646 -1.051 176 H GLU 24 H GLU 24 -7.292 -10.829 -5.024 177 HA GLU 24 HA GLU 24 -8.732 -11.387 -6.666 178 HB2 GLU 24 HB2 GLU 24 -9.808 -8.582 -6.364 179 HB3 GLU 24 HB3 GLU 24 -10.585 -9.885 -7.252 180 HG2 GLU 24 HG2 GLU 24 -10.035 -9.831 -4.294 181 HG3 GLU 24 HG3 GLU 24 -11.598 -9.579 -5.069 182 H GLN 25 H GLN 25 -7.550 -8.062 -7.247 183 HA GLN 25 HA GLN 25 -6.685 -8.921 -9.883 184 HB2 GLN 25 HB2 GLN 25 -7.772 -6.578 -10.651 185 HB3 GLN 25 HB3 GLN 25 -8.553 -8.138 -10.834 186 HG2 GLN 25 HG2 GLN 25 -10.198 -6.724 -9.966 187 HG3 GLN 25 HG3 GLN 25 -9.659 -7.688 -8.595 188 HE21 GLN 25 HE21 GLN 25 -8.726 -6.680 -6.856 189 HE22 GLN 25 HE22 GLN 25 -8.603 -4.961 -6.720 190 H GLN 26 H GLN 26 -6.881 -6.081 -7.727 191 HA GLN 26 HA GLN 26 -4.246 -5.288 -8.758 192 HB2 GLN 26 HB2 GLN 26 -6.434 -3.668 -7.450 193 HB3 GLN 26 HB3 GLN 26 -4.822 -3.044 -7.753 194 HG2 GLN 26 HG2 GLN 26 -5.143 -3.442 -10.161 195 HG3 GLN 26 HG3 GLN 26 -6.782 -3.997 -9.825 196 HE21 GLN 26 HE21 GLN 26 -7.173 -2.006 -7.710 197 HE22 GLN 26 HE22 GLN 26 -7.416 -0.496 -8.513 198 H GLN 27 H GLN 27 -2.845 -4.168 -7.140 199 HA GLN 27 HA GLN 27 -2.875 -5.625 -4.610 200 HB2 GLN 27 HB2 GLN 27 -0.754 -3.888 -5.889 201 HB3 GLN 27 HB3 GLN 27 -0.590 -4.650 -4.314 202 HG2 GLN 27 HG2 GLN 27 -0.832 -6.854 -5.392 203 HG3 GLN 27 HG3 GLN 27 -0.890 -6.049 -6.961 204 HE21 GLN 27 HE21 GLN 27 1.097 -6.937 -4.258 205 HE22 GLN 27 HE22 GLN 27 2.616 -6.573 -5.001 206 H ILE 28 H ILE 28 -3.517 -4.699 -2.796 207 HA ILE 28 HA ILE 28 -3.809 -1.764 -2.739 208 HB ILE 28 HB ILE 28 -5.286 -3.892 -1.162 209 HG12 ILE 28 HG12 ILE 28 -7.278 -2.632 -2.265 210 HG13 ILE 28 HG13 ILE 28 -6.068 -2.037 -3.394 211 HG21 ILE 28 HG21 ILE 28 -6.573 -2.039 -0.178 212 HG22 ILE 28 HG22 ILE 28 -5.473 -0.895 -0.947 213 HG23 ILE 28 HG23 ILE 28 -4.871 -2.007 0.283 214 HD11 ILE 28 HD11 ILE 28 -7.228 -3.968 -4.284 215 HD12 ILE 28 HD12 ILE 28 -6.738 -4.925 -2.885 216 HD13 ILE 28 HD13 ILE 28 -5.523 -4.330 -4.016 217 H ALA 29 H ALA 29 -2.750 -0.626 -1.222 218 HA ALA 29 HA ALA 29 -0.897 -2.090 0.505 219 HB1 ALA 29 HB1 ALA 29 -0.004 -0.270 -0.894 220 HB2 ALA 29 HB2 ALA 29 0.211 0.048 0.826 221 HB3 ALA 29 HB3 ALA 29 -1.068 0.869 -0.070 222 H VAL 30 H VAL 30 -1.357 -2.390 2.589 223 HA VAL 30 HA VAL 30 -3.581 -0.796 3.715 224 HB VAL 30 HB VAL 30 -2.526 -3.443 4.744 225 HG11 VAL 30 HG11 VAL 30 -3.653 -2.112 6.436 226 HG12 VAL 30 HG12 VAL 30 -4.643 -3.502 5.991 227 HG13 VAL 30 HG13 VAL 30 -5.042 -1.901 5.370 228 HG21 VAL 30 HG21 VAL 30 -3.458 -3.748 2.515 229 HG22 VAL 30 HG22 VAL 30 -4.932 -2.911 3.002 230 HG23 VAL 30 HG23 VAL 30 -4.513 -4.459 3.736 231 H PHE 31 H PHE 31 -2.762 0.884 4.704 232 HA PHE 31 HA PHE 31 -0.247 0.830 6.098 233 HD1 PHE 31 HD2 PHE 31 -2.237 2.696 3.366 234 HD2 PHE 31 HD1 PHE 31 1.141 3.634 5.777 235 HE1 PHE 31 HE2 PHE 31 -1.032 3.472 1.369 236 HE2 PHE 31 HE1 PHE 31 2.348 4.422 3.786 237 HZ PHE 31 HZ PHE 31 1.262 4.339 1.579 238 HB2 PHE 31 HB2 PHE 31 -2.397 2.925 5.807 239 HB3 PHE 31 HB3 PHE 31 -0.950 3.171 6.775 240 H ARG 32 H ARG 32 0.068 0.418 8.194 241 HA ARG 32 HA ARG 32 -2.160 1.001 10.017 242 HE ARG 32 HE ARG 32 -2.046 -1.323 14.409 243 HB2 ARG 32 HB2 ARG 32 -1.458 -1.411 10.021 244 HB3 ARG 32 HB3 ARG 32 0.134 -0.889 10.557 245 HG2 ARG 32 HG2 ARG 32 -0.819 0.009 12.600 246 HG3 ARG 32 HG3 ARG 32 -2.440 -0.437 12.061 247 HD2 ARG 32 HD2 ARG 32 -1.821 -2.787 12.083 248 HD3 ARG 32 HD3 ARG 32 -0.170 -2.368 12.541 249 HH11 ARG 32 HH11 ARG 32 -0.510 -4.316 13.412 250 HH12 ARG 32 HH12 ARG 32 -0.601 -5.038 14.991 251 HH21 ARG 32 HH21 ARG 32 -2.155 -2.273 16.495 252 HH22 ARG 32 HH22 ARG 32 -1.533 -3.880 16.746 253 HA PRO 33 HA PRO 33 1.169 4.120 10.377 254 HB2 PRO 33 HB2 PRO 33 -0.435 6.234 10.924 255 HB3 PRO 33 HB3 PRO 33 -0.171 5.637 9.281 256 HG2 PRO 33 HG2 PRO 33 -2.469 5.148 11.133 257 HG3 PRO 33 HG3 PRO 33 -2.487 5.492 9.394 258 HD2 PRO 33 HD2 PRO 33 -2.768 2.987 10.413 259 HD3 PRO 33 HD3 PRO 33 -2.028 3.311 8.831 260 H ARG 34 H ARG 34 -1.409 3.356 12.584 261 HA ARG 34 HA ARG 34 0.205 4.395 14.814 262 HE ARG 34 HE ARG 34 -3.040 8.454 14.874 263 HB2 ARG 34 HB2 ARG 34 -2.766 3.832 14.695 264 HB3 ARG 34 HB3 ARG 34 -1.896 4.382 16.120 265 HG2 ARG 34 HG2 ARG 34 -1.327 6.462 14.989 266 HG3 ARG 34 HG3 ARG 34 -2.171 5.912 13.538 267 HD2 ARG 34 HD2 ARG 34 -4.255 5.760 14.867 268 HD3 ARG 34 HD3 ARG 34 -3.389 6.421 16.251 269 HH11 ARG 34 HH11 ARG 34 -5.694 6.274 14.196 270 HH12 ARG 34 HH12 ARG 34 -6.650 7.472 13.377 271 HH21 ARG 34 HH21 ARG 34 -4.300 10.052 13.793 272 HH22 ARG 34 HH22 ARG 34 -5.845 9.610 13.121 273 H ASN 35 H ASN 35 -0.074 3.065 16.865 274 HA ASN 35 HA ASN 35 0.407 0.285 16.181 275 HB2 ASN 35 HB2 ASN 35 1.187 0.006 18.429 276 HB3 ASN 35 HB3 ASN 35 1.809 1.550 17.856 277 HD21 ASN 35 HD21 ASN 35 -0.205 -0.050 20.132 278 HD22 ASN 35 HD22 ASN 35 -0.646 1.354 21.050 279 H ASP 36 H ASP 36 -2.297 1.967 16.536 280 HA ASP 36 HA ASP 36 -3.734 -0.009 18.146 281 HB2 ASP 36 HB2 ASP 36 -3.977 2.488 18.566 282 HB3 ASP 36 HB3 ASP 36 -4.829 2.579 17.029 283 H GLU 37 H GLU 37 -6.270 0.803 16.661 284 HA GLU 37 HA GLU 37 -5.951 -1.351 14.697 285 HB2 GLU 37 HB2 GLU 37 -8.353 -0.411 16.260 286 HB3 GLU 37 HB3 GLU 37 -8.363 -1.723 15.090 287 HG2 GLU 37 HG2 GLU 37 -6.884 -3.030 16.425 288 HG3 GLU 37 HG3 GLU 37 -6.612 -1.684 17.527 289 H GLN 38 H GLN 38 -5.680 1.692 14.256 290 HA GLN 38 HA GLN 38 -7.769 2.001 12.229 291 HB2 GLN 38 HB2 GLN 38 -7.365 3.944 13.657 292 HB3 GLN 38 HB3 GLN 38 -5.673 3.966 13.176 293 HG2 GLN 38 HG2 GLN 38 -6.915 5.665 11.983 294 HG3 GLN 38 HG3 GLN 38 -6.331 4.432 10.869 295 HE21 GLN 38 HE21 GLN 38 -7.858 4.833 9.310 296 HE22 GLN 38 HE22 GLN 38 -9.538 4.464 9.503 297 H VAL 39 H VAL 39 -7.415 1.511 10.190 298 HA VAL 39 HA VAL 39 -4.635 1.376 9.237 299 HB VAL 39 HB VAL 39 -5.333 -0.450 7.711 300 HG11 VAL 39 HG11 VAL 39 -5.396 -2.218 9.411 301 HG12 VAL 39 HG12 VAL 39 -5.745 -1.007 10.646 302 HG13 VAL 39 HG13 VAL 39 -4.202 -0.978 9.793 303 HG21 VAL 39 HG21 VAL 39 -7.885 -0.396 9.326 304 HG22 VAL 39 HG22 VAL 39 -7.432 -1.653 8.175 305 HG23 VAL 39 HG23 VAL 39 -7.718 -0.006 7.613 306 H TYR 40 H TYR 40 -4.474 1.501 6.845 307 HA TYR 40 HA TYR 40 -6.659 2.965 5.542 308 HD1 TYR 40 HD1 TYR 40 -7.021 5.624 5.441 309 HD2 TYR 40 HD2 TYR 40 -3.496 4.847 7.693 310 HE1 TYR 40 HE1 TYR 40 -7.673 7.363 7.056 311 HE2 TYR 40 HE2 TYR 40 -4.140 6.582 9.308 312 HH TYR 40 HH TYR 40 -5.534 8.607 9.369 313 HB2 TYR 40 HB2 TYR 40 -3.760 3.825 5.623 314 HB3 TYR 40 HB3 TYR 40 -4.922 4.446 4.463 315 H ALA 41 H ALA 41 -7.196 1.513 4.007 316 HA ALA 41 HA ALA 41 -5.033 0.177 2.539 317 HB1 ALA 41 HB1 ALA 41 -6.741 -1.271 3.559 318 HB2 ALA 41 HB2 ALA 41 -6.689 -1.424 1.802 319 HB3 ALA 41 HB3 ALA 41 -7.973 -0.485 2.567 320 H ILE 42 H ILE 42 -4.392 1.468 0.936 321 HA ILE 42 HA ILE 42 -6.429 2.390 -0.980 322 HB ILE 42 HB ILE 42 -5.130 4.454 -1.376 323 HG12 ILE 42 HG12 ILE 42 -3.571 3.641 1.092 324 HG13 ILE 42 HG13 ILE 42 -2.946 3.610 -0.553 325 HG21 ILE 42 HG21 ILE 42 -7.054 4.538 0.095 326 HG22 ILE 42 HG22 ILE 42 -5.801 5.632 0.682 327 HG23 ILE 42 HG23 ILE 42 -6.053 4.075 1.471 328 HD11 ILE 42 HD11 ILE 42 -3.211 6.031 -0.699 329 HD12 ILE 42 HD12 ILE 42 -2.178 5.572 0.655 330 HD13 ILE 42 HD13 ILE 42 -3.847 6.059 0.945 331 H SER 43 H SER 43 -5.237 3.119 -3.101 332 HA SER 43 HA SER 43 -3.579 0.878 -3.886 333 HG SER 43 HG SER 43 -3.749 4.014 -5.582 334 HB2 SER 43 HB2 SER 43 -3.781 1.798 -6.158 335 HB3 SER 43 HB3 SER 43 -5.367 1.688 -5.393 336 H ASN 44 H ASN 44 -1.919 1.637 -2.293 337 HA ASN 44 HA ASN 44 -0.361 3.954 -3.216 338 HB2 ASN 44 HB2 ASN 44 -1.098 3.772 -0.812 339 HB3 ASN 44 HB3 ASN 44 -0.046 2.372 -0.653 340 HD21 ASN 44 HD21 ASN 44 -0.139 5.826 -1.234 341 HD22 ASN 44 HD22 ASN 44 1.487 6.139 -0.742 342 H ILE 45 H ILE 45 -0.343 1.632 -4.750 343 HA ILE 45 HA ILE 45 2.265 0.396 -4.186 344 HB ILE 45 HB ILE 45 0.073 -0.615 -6.014 345 HG12 ILE 45 HG12 ILE 45 -0.728 -0.716 -3.744 346 HG13 ILE 45 HG13 ILE 45 -0.254 -2.344 -4.225 347 HG21 ILE 45 HG21 ILE 45 2.593 -1.939 -5.021 348 HG22 ILE 45 HG22 ILE 45 2.296 -1.367 -6.662 349 HG23 ILE 45 HG23 ILE 45 1.349 -2.704 -6.009 350 HD11 ILE 45 HD11 ILE 45 1.359 -0.455 -2.533 351 HD12 ILE 45 HD12 ILE 45 1.854 -2.075 -3.025 352 HD13 ILE 45 HD13 ILE 45 0.460 -1.862 -1.968 353 H ASP 46 H ASP 46 3.806 1.463 -5.237 354 HA ASP 46 HA ASP 46 3.422 2.790 -7.731 355 HB2 ASP 46 HB2 ASP 46 5.181 3.315 -5.955 356 HB3 ASP 46 HB3 ASP 46 6.064 1.915 -6.555 357 HA PRO 47 HA PRO 47 3.330 -1.007 -10.104 358 HB2 PRO 47 HB2 PRO 47 3.758 0.907 -12.337 359 HB3 PRO 47 HB3 PRO 47 2.508 -0.325 -12.131 360 HG2 PRO 47 HG2 PRO 47 1.926 2.249 -11.804 361 HG3 PRO 47 HG3 PRO 47 1.230 1.020 -10.730 362 HD2 PRO 47 HD2 PRO 47 3.490 2.912 -10.228 363 HD3 PRO 47 HD3 PRO 47 2.187 2.398 -9.136 364 H PHE 48 H PHE 48 5.910 1.301 -10.065 365 HA PHE 48 HA PHE 48 7.639 -0.153 -11.839 366 HD1 PHE 48 HD1 PHE 48 9.262 1.214 -13.327 367 HD2 PHE 48 HD2 PHE 48 10.543 1.909 -9.331 368 HE1 PHE 48 HE1 PHE 48 11.603 1.161 -14.077 369 HE2 PHE 48 HE2 PHE 48 12.891 1.845 -10.071 370 HZ PHE 48 HZ PHE 48 13.421 1.472 -12.448 371 HB2 PHE 48 HB2 PHE 48 7.792 2.298 -11.481 372 HB3 PHE 48 HB3 PHE 48 8.294 2.008 -9.823 373 H ALA 49 H ALA 49 6.675 -0.525 -8.608 374 HA ALA 49 HA ALA 49 8.974 -2.298 -8.096 375 HB1 ALA 49 HB1 ALA 49 9.103 -0.234 -6.754 376 HB2 ALA 49 HB2 ALA 49 8.937 -1.685 -5.763 377 HB3 ALA 49 HB3 ALA 49 7.545 -0.635 -6.031 378 H GLN 50 H GLN 50 5.543 -1.727 -7.788 379 HA GLN 50 HA GLN 50 3.780 -3.085 -7.419 380 HB2 GLN 50 HB2 GLN 50 5.852 -5.119 -8.181 381 HB3 GLN 50 HB3 GLN 50 4.227 -5.610 -7.722 382 HG2 GLN 50 HG2 GLN 50 3.277 -4.316 -9.519 383 HG3 GLN 50 HG3 GLN 50 4.868 -3.681 -9.941 384 HE21 GLN 50 HE21 GLN 50 2.825 -6.507 -9.914 385 HE22 GLN 50 HE22 GLN 50 3.724 -7.409 -11.085 386 H ALA 51 H ALA 51 5.212 -2.171 -5.211 387 HA ALA 51 HA ALA 51 4.193 -3.963 -3.168 388 HB1 ALA 51 HB1 ALA 51 6.303 -4.027 -1.910 389 HB2 ALA 51 HB2 ALA 51 7.127 -3.212 -3.239 390 HB3 ALA 51 HB3 ALA 51 6.467 -4.833 -3.468 391 H SER 52 H SER 52 4.515 -2.857 -0.969 392 HA SER 52 HA SER 52 3.650 -0.137 -1.252 393 HG SER 52 HG SER 52 1.651 -0.984 0.657 394 HB2 SER 52 HB2 SER 52 4.179 -1.843 1.188 395 HB3 SER 52 HB3 SER 52 3.504 -0.213 1.242 396 H VAL 53 H VAL 53 5.860 0.200 -2.378 397 HA VAL 53 HA VAL 53 8.081 0.668 -0.593 398 HB VAL 53 HB VAL 53 9.209 1.622 -2.597 399 HG11 VAL 53 HG11 VAL 53 9.394 -0.750 -2.079 400 HG12 VAL 53 HG12 VAL 53 9.372 -0.490 -3.823 401 HG13 VAL 53 HG13 VAL 53 7.927 -1.078 -3.000 402 HG21 VAL 53 HG21 VAL 53 7.298 2.539 -3.762 403 HG22 VAL 53 HG22 VAL 53 6.609 0.927 -3.963 404 HG23 VAL 53 HG23 VAL 53 8.105 1.356 -4.792 405 H LEU 54 H LEU 54 5.409 2.434 -1.828 406 HA LEU 54 HA LEU 54 6.503 5.039 -1.242 407 HG LEU 54 HG LEU 54 4.792 3.489 -3.631 408 HB2 LEU 54 HB2 LEU 54 3.604 4.323 -1.663 409 HB3 LEU 54 HB3 LEU 54 4.356 5.894 -1.858 410 HD11 LEU 54 HD11 LEU 54 3.360 6.094 -4.123 411 HD12 LEU 54 HD12 LEU 54 2.606 4.511 -3.930 412 HD13 LEU 54 HD13 LEU 54 3.643 4.830 -5.320 413 HD21 LEU 54 HD21 LEU 54 5.876 6.290 -3.881 414 HD22 LEU 54 HD22 LEU 54 6.105 4.973 -5.032 415 HD23 LEU 54 HD23 LEU 54 6.808 4.867 -3.418 416 H SER 55 H SER 55 4.967 2.506 0.410 417 HA SER 55 HA SER 55 3.794 4.061 2.518 418 HG SER 55 HG SER 55 2.573 2.608 1.021 419 HB2 SER 55 HB2 SER 55 4.360 1.091 2.462 420 HB3 SER 55 HB3 SER 55 3.173 1.934 3.458 421 H ARG 56 H ARG 56 6.904 2.906 1.788 422 HA ARG 56 HA ARG 56 7.753 2.926 4.596 423 HE ARG 56 HE ARG 56 11.845 2.664 2.939 424 HB2 ARG 56 HB2 ARG 56 8.372 1.071 2.876 425 HB3 ARG 56 HB3 ARG 56 9.521 2.252 2.262 426 HG2 ARG 56 HG2 ARG 56 10.315 2.409 4.715 427 HG3 ARG 56 HG3 ARG 56 9.466 0.874 4.915 428 HD2 ARG 56 HD2 ARG 56 11.730 0.354 4.418 429 HD3 ARG 56 HD3 ARG 56 10.795 0.012 2.962 430 HH11 ARG 56 HH11 ARG 56 12.665 -0.689 2.325 431 HH12 ARG 56 HH12 ARG 56 14.009 -0.296 1.286 432 HH21 ARG 56 HH21 ARG 56 13.579 3.185 1.593 433 HH22 ARG 56 HH22 ARG 56 14.532 1.919 0.863 434 H GLY 57 H GLY 57 7.071 5.259 2.756 435 HA2 GLY 57 HA2 GLY 57 9.606 6.587 2.334 436 HA3 GLY 57 HA3 GLY 57 8.010 7.238 1.986 437 H ILE 58 H ILE 58 8.677 9.219 2.912 438 HA ILE 58 HA ILE 58 9.158 9.199 5.809 439 HB ILE 58 HB ILE 58 9.416 11.499 3.861 440 HG12 ILE 58 HG12 ILE 58 11.574 9.750 5.073 441 HG13 ILE 58 HG13 ILE 58 11.029 9.674 3.401 442 HG21 ILE 58 HG21 ILE 58 10.376 11.217 6.707 443 HG22 ILE 58 HG22 ILE 58 8.994 12.177 6.180 444 HG23 ILE 58 HG23 ILE 58 10.621 12.616 5.658 445 HD11 ILE 58 HD11 ILE 58 13.126 10.893 3.624 446 HD12 ILE 58 HD12 ILE 58 12.344 12.045 4.707 447 HD13 ILE 58 HD13 ILE 58 11.837 11.933 3.021 448 H VAL 59 H VAL 59 7.605 9.718 7.157 449 HA VAL 59 HA VAL 59 5.025 10.524 6.206 450 HB VAL 59 HB VAL 59 6.089 10.174 9.014 451 HG11 VAL 59 HG11 VAL 59 3.239 10.506 8.071 452 HG12 VAL 59 HG12 VAL 59 4.173 11.699 8.971 453 HG13 VAL 59 HG13 VAL 59 3.746 10.162 9.725 454 HG21 VAL 59 HG21 VAL 59 4.860 8.067 8.988 455 HG22 VAL 59 HG22 VAL 59 6.077 8.111 7.712 456 HG23 VAL 59 HG23 VAL 59 4.376 8.362 7.318 457 H ALA 60 H ALA 60 4.948 12.540 5.459 458 HA ALA 60 HA ALA 60 6.105 14.703 7.079 459 HB1 ALA 60 HB1 ALA 60 6.945 14.578 4.774 460 HB2 ALA 60 HB2 ALA 60 6.042 16.066 5.056 461 HB3 ALA 60 HB3 ALA 60 5.295 14.737 4.171 462 H GLU 61 H GLU 61 4.520 15.132 8.507 463 HA GLU 61 HA GLU 61 1.750 15.052 7.794 464 HB2 GLU 61 HB2 GLU 61 2.787 14.516 10.068 465 HB3 GLU 61 HB3 GLU 61 2.927 16.254 10.295 466 HG2 GLU 61 HG2 GLU 61 0.561 16.529 10.198 467 HG3 GLU 61 HG3 GLU 61 0.331 14.844 9.726 468 H HIS 62 H HIS 62 0.401 16.681 7.360 469 HA HIS 62 HA HIS 62 1.528 19.187 6.483 470 HD2 HIS 62 HD2 HIS 62 0.624 20.128 3.744 471 HE1 HIS 62 HE1 HIS 62 -2.713 22.473 4.862 472 HE2 HIS 62 HE2 HIS 62 -0.686 22.335 3.350 473 HB2 HIS 62 HB2 HIS 62 -0.306 17.887 5.316 474 HB3 HIS 62 HB3 HIS 62 -1.379 18.345 6.631 475 H GLN 63 H GLN 63 -0.328 21.094 7.114 476 HA GLN 63 HA GLN 63 0.221 21.884 9.728 477 HB2 GLN 63 HB2 GLN 63 -0.703 23.267 7.777 478 HB3 GLN 63 HB3 GLN 63 -2.282 22.634 8.213 479 HG2 GLN 63 HG2 GLN 63 -0.624 23.976 10.291 480 HG3 GLN 63 HG3 GLN 63 -1.477 24.950 9.098 481 HE21 GLN 63 HE21 GLN 63 -3.693 23.088 8.889 482 HE22 GLN 63 HE22 GLN 63 -4.630 23.288 10.336 483 H ASP 64 H ASP 64 -2.494 20.086 8.370 484 HA ASP 64 HA ASP 64 -2.623 18.484 10.725 485 HB2 ASP 64 HB2 ASP 64 -4.036 20.419 11.429 486 HB3 ASP 64 HB3 ASP 64 -5.109 20.088 10.070 487 H ASP 65 H ASP 65 -1.906 17.481 8.514 488 HA ASP 65 HA ASP 65 -4.081 15.753 7.742 489 HB2 ASP 65 HB2 ASP 65 -3.858 17.940 6.181 490 HB3 ASP 65 HB3 ASP 65 -2.680 16.897 5.388 491 H LEU 66 H LEU 66 -3.106 14.169 5.919 492 HA LEU 66 HA LEU 66 -0.478 13.394 7.022 493 HG LEU 66 HG LEU 66 -3.119 12.625 8.493 494 HB2 LEU 66 HB2 LEU 66 -2.786 11.599 6.278 495 HB3 LEU 66 HB3 LEU 66 -1.202 11.041 6.778 496 HD11 LEU 66 HD11 LEU 66 -3.892 10.350 8.104 497 HD12 LEU 66 HD12 LEU 66 -3.336 10.546 9.766 498 HD13 LEU 66 HD13 LEU 66 -2.319 9.719 8.589 499 HD21 LEU 66 HD21 LEU 66 -0.814 13.120 9.053 500 HD22 LEU 66 HD22 LEU 66 -0.439 11.397 9.126 501 HD23 LEU 66 HD23 LEU 66 -1.540 12.113 10.306 502 H TRP 67 H TRP 67 1.069 13.355 5.539 503 HA TRP 67 HA TRP 67 0.425 12.456 2.818 504 HD1 TRP 67 HD1 TRP 67 0.219 16.062 4.903 505 HE1 TRP 67 HE1 TRP 67 -1.866 17.367 4.158 506 HE3 TRP 67 HE3 TRP 67 -0.080 14.411 0.078 507 HZ2 TRP 67 HZ2 TRP 67 -3.435 17.659 1.830 508 HZ3 TRP 67 HZ3 TRP 67 -1.909 15.250 -1.340 509 HH2 TRP 67 HH2 TRP 67 -3.550 16.839 -0.480 510 HB2 TRP 67 HB2 TRP 67 2.174 14.857 3.421 511 HB3 TRP 67 HB3 TRP 67 1.698 14.266 1.833 512 H VAL 68 H VAL 68 1.823 10.892 2.193 513 HA VAL 68 HA VAL 68 4.306 10.620 3.736 514 HB VAL 68 HB VAL 68 2.825 8.654 3.740 515 HG11 VAL 68 HG11 VAL 68 3.342 8.568 0.774 516 HG12 VAL 68 HG12 VAL 68 1.795 8.875 1.563 517 HG13 VAL 68 HG13 VAL 68 2.562 7.295 1.714 518 HG21 VAL 68 HG21 VAL 68 5.410 8.191 2.264 519 HG22 VAL 68 HG22 VAL 68 4.511 6.988 3.193 520 HG23 VAL 68 HG23 VAL 68 5.234 8.374 4.008 521 H ALA 69 H ALA 69 6.242 10.881 2.833 522 HA ALA 69 HA ALA 69 6.356 11.876 0.117 523 HB1 ALA 69 HB1 ALA 69 8.641 12.490 0.642 524 HB2 ALA 69 HB2 ALA 69 8.560 11.580 2.150 525 HB3 ALA 69 HB3 ALA 69 7.558 13.013 1.934 526 H SER 70 H SER 70 6.540 10.531 -1.500 527 HA SER 70 HA SER 70 7.422 7.873 -1.402 528 HG SER 70 HG SER 70 7.043 7.164 -4.298 529 HB2 SER 70 HB2 SER 70 6.030 8.640 -3.220 530 HB3 SER 70 HB3 SER 70 7.245 9.817 -3.716 531 HA PRO 71 HA PRO 71 11.846 8.620 -1.345 532 HB2 PRO 71 HB2 PRO 71 12.615 6.034 -1.289 533 HB3 PRO 71 HB3 PRO 71 11.943 6.844 0.132 534 HG2 PRO 71 HG2 PRO 71 10.614 4.991 -1.802 535 HG3 PRO 71 HG3 PRO 71 10.470 5.054 -0.037 536 HD2 PRO 71 HD2 PRO 71 8.624 6.124 -1.750 537 HD3 PRO 71 HD3 PRO 71 8.904 6.729 -0.106 538 H LEU 72 H LEU 72 9.935 7.362 -3.786 539 HA LEU 72 HA LEU 72 12.234 6.933 -5.572 540 HG LEU 72 HG LEU 72 10.628 4.598 -4.245 541 HB2 LEU 72 HB2 LEU 72 9.378 5.988 -5.830 542 HB3 LEU 72 HB3 LEU 72 10.622 5.742 -7.040 543 HD11 LEU 72 HD11 LEU 72 10.198 3.308 -6.934 544 HD12 LEU 72 HD12 LEU 72 8.987 3.528 -5.668 545 HD13 LEU 72 HD13 LEU 72 10.358 2.450 -5.401 546 HD21 LEU 72 HD21 LEU 72 12.588 3.330 -5.014 547 HD22 LEU 72 HD22 LEU 72 12.886 5.069 -4.996 548 HD23 LEU 72 HD23 LEU 72 12.570 4.243 -6.523 549 H LYS 73 H LYS 73 8.918 8.249 -5.612 550 HA LYS 73 HA LYS 73 9.572 9.776 -8.009 551 HB2 LYS 73 HB2 LYS 73 6.951 9.556 -6.515 552 HB3 LYS 73 HB3 LYS 73 7.184 10.293 -8.091 553 HG2 LYS 73 HG2 LYS 73 7.586 7.381 -7.439 554 HG3 LYS 73 HG3 LYS 73 6.189 8.073 -8.263 555 HD2 LYS 73 HD2 LYS 73 7.771 8.914 -10.026 556 HD3 LYS 73 HD3 LYS 73 9.038 7.970 -9.241 557 HE2 LYS 73 HE2 LYS 73 6.464 6.857 -10.355 558 HE3 LYS 73 HE3 LYS 73 8.031 6.791 -11.154 559 HZ1 LYS 73 HZ1 LYS 73 7.599 4.716 -10.067 560 HZ2 LYS 73 HZ2 LYS 73 7.289 5.477 -8.593 561 HZ3 LYS 73 HZ3 LYS 73 8.861 5.492 -9.244 562 H LYS 74 H LYS 74 9.523 10.192 -4.675 563 HA LYS 74 HA LYS 74 9.468 11.904 -3.215 564 HB2 LYS 74 HB2 LYS 74 11.530 12.520 -4.438 565 HB3 LYS 74 HB3 LYS 74 10.570 13.528 -5.516 566 HG2 LYS 74 HG2 LYS 74 9.889 14.911 -3.618 567 HG3 LYS 74 HG3 LYS 74 10.854 13.904 -2.540 568 HD2 LYS 74 HD2 LYS 74 12.884 14.586 -3.614 569 HD3 LYS 74 HD3 LYS 74 11.985 15.432 -4.877 570 HE2 LYS 74 HE2 LYS 74 11.092 16.984 -3.223 571 HE3 LYS 74 HE3 LYS 74 11.943 16.124 -1.940 572 HZ1 LYS 74 HZ1 LYS 74 13.384 17.317 -4.230 573 HZ2 LYS 74 HZ2 LYS 74 13.993 16.866 -2.710 574 HZ3 LYS 74 HZ3 LYS 74 12.992 18.226 -2.852 575 H GLN 75 H GLN 75 7.111 11.627 -3.474 576 HA GLN 75 HA GLN 75 5.935 14.265 -3.881 577 HB2 GLN 75 HB2 GLN 75 4.858 11.688 -5.033 578 HB3 GLN 75 HB3 GLN 75 3.856 13.111 -4.795 579 HG2 GLN 75 HG2 GLN 75 5.320 14.382 -6.292 580 HG3 GLN 75 HG3 GLN 75 6.294 12.934 -6.549 581 HE21 GLN 75 HE21 GLN 75 5.869 12.967 -8.761 582 HE22 GLN 75 HE22 GLN 75 4.331 12.498 -9.399 583 H HIS 76 H HIS 76 4.082 14.627 -2.564 584 HA HIS 76 HA HIS 76 4.077 12.935 -0.181 585 HD1 HIS 76 HD1 HIS 76 5.009 16.873 -1.243 586 HD2 HIS 76 HD2 HIS 76 5.216 14.656 2.270 587 HE1 HIS 76 HE1 HIS 76 7.143 17.587 -0.113 588 HE2 HIS 76 HE2 HIS 76 7.175 16.340 2.081 589 HB2 HIS 76 HB2 HIS 76 2.854 15.656 -0.691 590 HB3 HIS 76 HB3 HIS 76 2.760 14.791 0.840 591 H PHE 77 H PHE 77 2.810 11.206 -0.522 592 HA PHE 77 HA PHE 77 0.276 11.466 -1.913 593 HD1 PHE 77 HD2 PHE 77 0.002 9.224 -3.886 594 HD2 PHE 77 HD1 PHE 77 3.720 9.395 -1.839 595 HE1 PHE 77 HE2 PHE 77 1.187 8.906 -6.017 596 HE2 PHE 77 HE1 PHE 77 4.914 9.078 -3.964 597 HZ PHE 77 HZ PHE 77 3.647 8.835 -6.057 598 HB2 PHE 77 HB2 PHE 77 1.653 9.092 -0.642 599 HB3 PHE 77 HB3 PHE 77 0.113 8.999 -1.488 600 H ARG 78 H ARG 78 -1.584 11.871 -0.937 601 HA ARG 78 HA ARG 78 -1.777 12.038 1.913 602 HE ARG 78 HE ARG 78 -5.368 14.883 3.406 603 HB2 ARG 78 HB2 ARG 78 -3.021 13.405 0.099 604 HB3 ARG 78 HB3 ARG 78 -4.124 12.037 0.034 605 HG2 ARG 78 HG2 ARG 78 -4.765 12.341 2.301 606 HG3 ARG 78 HG3 ARG 78 -3.488 13.531 2.563 607 HD2 ARG 78 HD2 ARG 78 -4.558 15.020 0.932 608 HD3 ARG 78 HD3 ARG 78 -5.847 13.837 0.713 609 HH11 ARG 78 HH11 ARG 78 -7.322 14.868 0.499 610 HH12 ARG 78 HH12 ARG 78 -8.717 15.554 1.273 611 HH21 ARG 78 HH21 ARG 78 -7.164 15.824 4.416 612 HH22 ARG 78 HH22 ARG 78 -8.620 16.111 3.512 613 H LEU 79 H LEU 79 -2.346 10.495 3.304 614 HA LEU 79 HA LEU 79 -2.325 7.820 2.356 615 HG LEU 79 HG LEU 79 -0.469 7.759 5.514 616 HB2 LEU 79 HB2 LEU 79 -2.626 8.998 5.101 617 HB3 LEU 79 HB3 LEU 79 -2.664 7.271 4.819 618 HD11 LEU 79 HD11 LEU 79 0.903 7.205 3.574 619 HD12 LEU 79 HD12 LEU 79 -0.450 7.586 2.509 620 HD13 LEU 79 HD13 LEU 79 -0.565 6.232 3.635 621 HD21 LEU 79 HD21 LEU 79 -0.495 10.169 5.224 622 HD22 LEU 79 HD22 LEU 79 -0.411 9.973 3.473 623 HD23 LEU 79 HD23 LEU 79 0.942 9.466 4.483 624 H TYR 80 H TYR 80 -4.944 9.787 2.357 625 HA TYR 80 HA TYR 80 -6.742 7.524 2.424 626 HD1 TYR 80 HD1 TYR 80 -5.078 9.907 5.305 627 HD2 TYR 80 HD2 TYR 80 -9.050 10.806 4.074 628 HE1 TYR 80 HE1 TYR 80 -4.835 12.183 6.202 629 HE2 TYR 80 HE2 TYR 80 -8.817 13.084 4.963 630 HH TYR 80 HH TYR 80 -5.861 14.440 5.805 631 HB2 TYR 80 HB2 TYR 80 -8.291 8.558 4.063 632 HB3 TYR 80 HB3 TYR 80 -6.746 8.112 4.773 633 H ASP 81 H ASP 81 -5.828 9.486 0.450 634 HA ASP 81 HA ASP 81 -8.444 10.437 -0.395 635 HB2 ASP 81 HB2 ASP 81 -7.731 12.365 0.753 636 HB3 ASP 81 HB3 ASP 81 -6.082 12.215 0.157 637 H GLY 82 H GLY 82 -5.096 11.120 -1.463 638 HA2 GLY 82 HA2 GLY 82 -4.425 9.459 -3.317 639 HA3 GLY 82 HA3 GLY 82 -5.873 10.073 -4.095 640 H PHE 83 H PHE 83 -5.185 12.805 -2.843 641 HA PHE 83 HA PHE 83 -3.785 13.795 -5.120 642 HD1 PHE 83 HD1 PHE 83 -4.396 15.822 -6.201 643 HD2 PHE 83 HD2 PHE 83 -6.986 15.417 -2.849 644 HE1 PHE 83 HE1 PHE 83 -6.297 16.541 -7.589 645 HE2 PHE 83 HE2 PHE 83 -8.890 16.133 -4.231 646 HZ PHE 83 HZ PHE 83 -8.549 16.698 -6.601 647 HB2 PHE 83 HB2 PHE 83 -4.742 15.032 -2.569 648 HB3 PHE 83 HB3 PHE 83 -3.652 15.930 -3.619 649 H CYS 84 H CYS 84 -1.814 15.007 -5.117 650 HA CYS 84 HA CYS 84 0.217 13.770 -3.386 651 HG CYS 84 HG CYS 84 0.033 11.753 -5.555 652 HB2 CYS 84 HB2 CYS 84 0.696 15.073 -6.065 653 HB3 CYS 84 HB3 CYS 84 1.747 13.958 -5.196 654 H LEU 85 H LEU 85 -1.462 16.258 -3.041 655 HA LEU 85 HA LEU 85 -1.266 18.246 -1.995 656 HG LEU 85 HG LEU 85 1.240 20.009 -1.373 657 HB2 LEU 85 HB2 LEU 85 0.501 17.162 -0.677 658 HB3 LEU 85 HB3 LEU 85 1.685 17.631 -1.881 659 HD11 LEU 85 HD11 LEU 85 -1.058 19.802 -0.608 660 HD12 LEU 85 HD12 LEU 85 -0.059 20.595 0.609 661 HD13 LEU 85 HD13 LEU 85 -0.520 18.904 0.809 662 HD21 LEU 85 HD21 LEU 85 1.985 18.306 1.003 663 HD22 LEU 85 HD22 LEU 85 2.320 20.029 0.831 664 HD23 LEU 85 HD23 LEU 85 3.073 18.869 -0.264 665 H GLU 86 H GLU 86 1.900 18.445 -3.587 666 HA GLU 86 HA GLU 86 0.980 20.928 -4.814 667 HB2 GLU 86 HB2 GLU 86 3.765 19.803 -4.511 668 HB3 GLU 86 HB3 GLU 86 3.383 21.349 -5.256 669 HG2 GLU 86 HG2 GLU 86 2.358 22.056 -3.100 670 HG3 GLU 86 HG3 GLU 86 2.955 20.559 -2.385 671 H ASP 87 H ASP 87 3.063 18.213 -5.850 672 HA ASP 87 HA ASP 87 2.288 18.792 -8.607 673 HB2 ASP 87 HB2 ASP 87 4.726 18.452 -7.872 674 HB3 ASP 87 HB3 ASP 87 4.323 16.743 -7.729 675 H GLY 88 H GLY 88 0.246 17.927 -8.804 676 HA2 GLY 88 HA2 GLY 88 -0.303 15.282 -7.721 677 HA3 GLY 88 HA3 GLY 88 -1.462 16.361 -8.484 678 H ALA 89 H ALA 89 1.324 14.286 -9.198 679 HA ALA 89 HA ALA 89 0.148 13.799 -11.860 680 HB1 ALA 89 HB1 ALA 89 2.344 14.884 -11.930 681 HB2 ALA 89 HB2 ALA 89 2.382 13.273 -12.649 682 HB3 ALA 89 HB3 ALA 89 3.033 13.532 -11.030 683 H TYR 90 H TYR 90 0.370 12.423 -8.910 684 HA TYR 90 HA TYR 90 0.380 9.709 -10.032 685 HD1 TYR 90 HD2 TYR 90 0.760 7.501 -7.765 686 HD2 TYR 90 HD1 TYR 90 3.967 9.424 -9.789 687 HE1 TYR 90 HE2 TYR 90 1.710 5.305 -8.338 688 HE2 TYR 90 HE1 TYR 90 4.923 7.238 -10.366 689 HH TYR 90 HH TYR 90 4.773 4.822 -9.294 690 HB2 TYR 90 HB2 TYR 90 2.480 10.709 -8.598 691 HB3 TYR 90 HB3 TYR 90 1.513 9.975 -7.325 692 H SER 91 H SER 91 -1.936 10.947 -9.653 693 HA SER 91 HA SER 91 -3.046 10.871 -7.068 694 HG SER 91 HG SER 91 -4.096 13.038 -8.324 695 HB2 SER 91 HB2 SER 91 -4.489 10.637 -9.716 696 HB3 SER 91 HB3 SER 91 -5.177 11.173 -8.181 697 H VAL 92 H VAL 92 -3.411 9.155 -5.850 698 HA VAL 92 HA VAL 92 -3.911 6.561 -7.131 699 HB VAL 92 HB VAL 92 -3.333 5.531 -4.985 700 HG11 VAL 92 HG11 VAL 92 -1.299 7.541 -5.940 701 HG12 VAL 92 HG12 VAL 92 -1.554 5.918 -6.580 702 HG13 VAL 92 HG13 VAL 92 -0.946 6.132 -4.938 703 HG21 VAL 92 HG21 VAL 92 -2.450 6.875 -3.137 704 HG22 VAL 92 HG22 VAL 92 -4.127 7.290 -3.489 705 HG23 VAL 92 HG23 VAL 92 -2.824 8.349 -4.028 706 H ALA 93 H ALA 93 -5.425 5.095 -5.800 707 HA ALA 93 HA ALA 93 -7.874 6.646 -5.345 708 HB1 ALA 93 HB1 ALA 93 -9.074 4.581 -5.781 709 HB2 ALA 93 HB2 ALA 93 -7.552 3.696 -5.881 710 HB3 ALA 93 HB3 ALA 93 -7.943 4.918 -7.090 711 H ALA 94 H ALA 94 -9.300 6.045 -3.624 712 HA ALA 94 HA ALA 94 -7.935 4.839 -1.321 713 HB1 ALA 94 HB1 ALA 94 -9.135 6.430 0.119 714 HB2 ALA 94 HB2 ALA 94 -9.811 7.208 -1.312 715 HB3 ALA 94 HB3 ALA 94 -8.073 7.253 -1.022 716 H TYR 95 H TYR 95 -8.867 2.956 -1.010 717 HA TYR 95 HA TYR 95 -11.610 2.465 -1.791 718 HD1 TYR 95 HD2 TYR 95 -11.356 0.463 -3.746 719 HD2 TYR 95 HD1 TYR 95 -7.645 0.850 -1.705 720 HE1 TYR 95 HE2 TYR 95 -10.161 0.211 -5.880 721 HE2 TYR 95 HE1 TYR 95 -6.439 0.600 -3.832 722 HH TYR 95 HH TYR 95 -8.026 0.740 -6.868 723 HB2 TYR 95 HB2 TYR 95 -9.631 0.595 -0.470 724 HB3 TYR 95 HB3 TYR 95 -11.141 0.138 -1.255 725 H ASP 96 H ASP 96 -12.746 0.850 -0.094 726 HA ASP 96 HA ASP 96 -12.716 2.247 2.501 727 HB2 ASP 96 HB2 ASP 96 -14.848 2.310 1.061 728 HB3 ASP 96 HB3 ASP 96 -15.019 0.601 1.461 729 H THR 97 H THR 97 -12.486 1.052 4.348 730 HA THR 97 HA THR 97 -12.158 -1.868 4.035 731 HB THR 97 HB THR 97 -10.274 -0.196 5.679 732 HG1 THR 97 HG1 THR 97 -10.468 -0.308 2.971 733 HG21 THR 97 HG21 THR 97 -10.277 -2.597 6.115 734 HG22 THR 97 HG22 THR 97 -8.767 -2.106 5.349 735 HG23 THR 97 HG23 THR 97 -10.012 -2.919 4.400 736 H GLN 98 H GLN 98 -12.205 -3.025 6.101 737 HA GLN 98 HA GLN 98 -13.298 -1.522 8.362 738 HB2 GLN 98 HB2 GLN 98 -15.074 -3.063 8.752 739 HB3 GLN 98 HB3 GLN 98 -15.178 -2.587 7.067 740 HG2 GLN 98 HG2 GLN 98 -14.138 -4.662 6.378 741 HG3 GLN 98 HG3 GLN 98 -13.926 -5.134 8.062 742 HE21 GLN 98 HE21 GLN 98 -16.581 -4.000 8.752 743 HE22 GLN 98 HE22 GLN 98 -17.732 -5.154 8.182 744 H VAL 99 H VAL 99 -12.954 -2.459 10.363 745 HA VAL 99 HA VAL 99 -11.330 -4.913 10.459 746 HB VAL 99 HB VAL 99 -11.013 -2.525 12.303 747 HG11 VAL 99 HG11 VAL 99 -9.095 -3.770 13.209 748 HG12 VAL 99 HG12 VAL 99 -9.509 -5.136 12.175 749 HG13 VAL 99 HG13 VAL 99 -10.619 -4.624 13.446 750 HG21 VAL 99 HG21 VAL 99 -8.795 -2.251 11.307 751 HG22 VAL 99 HG22 VAL 99 -10.069 -2.060 10.101 752 HG23 VAL 99 HG23 VAL 99 -9.139 -3.558 10.173 753 H THR 100 H THR 100 -12.338 -6.457 11.658 754 HA THR 100 HA THR 100 -14.326 -5.525 13.599 755 HB THR 100 HB THR 100 -15.667 -6.020 11.723 756 HG1 THR 100 HG1 THR 100 -16.324 -6.922 13.811 757 HG21 THR 100 HG21 THR 100 -14.082 -7.341 10.415 758 HG22 THR 100 HG22 THR 100 -15.636 -8.165 10.542 759 HG23 THR 100 HG23 THR 100 -14.275 -8.693 11.532 760 H ASN 101 H ASN 101 -12.951 -8.605 12.476 761 HA ASN 101 HA ASN 101 -13.082 -9.545 15.252 762 HB2 ASN 101 HB2 ASN 101 -12.840 -11.050 12.636 763 HB3 ASN 101 HB3 ASN 101 -12.788 -11.821 14.220 764 HD21 ASN 101 HD21 ASN 101 -14.703 -12.139 12.018 765 HD22 ASN 101 HD22 ASN 101 -16.251 -11.776 12.688 766 H GLY 102 H GLY 102 -10.996 -7.767 14.271 767 HA2 GLY 102 HA2 GLY 102 -8.718 -7.601 14.761 768 HA3 GLY 102 HA3 GLY 102 -8.678 -9.341 15.030 769 H ASN 103 H ASN 103 -10.287 -8.831 12.230 770 HA ASN 103 HA ASN 103 -7.853 -9.136 10.612 771 HB2 ASN 103 HB2 ASN 103 -9.167 -10.434 9.030 772 HB3 ASN 103 HB3 ASN 103 -9.318 -11.140 10.634 773 HD21 ASN 103 HD21 ASN 103 -11.043 -11.285 8.253 774 HD22 ASN 103 HD22 ASN 103 -12.606 -10.754 8.764 775 H VAL 104 H VAL 104 -7.974 -8.259 8.439 776 HA VAL 104 HA VAL 104 -9.555 -5.777 8.397 777 HB VAL 104 HB VAL 104 -6.912 -6.380 7.044 778 HG11 VAL 104 HG11 VAL 104 -6.875 -3.997 6.482 779 HG12 VAL 104 HG12 VAL 104 -8.490 -3.813 7.165 780 HG13 VAL 104 HG13 VAL 104 -8.247 -4.822 5.740 781 HG21 VAL 104 HG21 VAL 104 -6.669 -6.161 9.453 782 HG22 VAL 104 HG22 VAL 104 -7.536 -4.625 9.418 783 HG23 VAL 104 HG23 VAL 104 -5.966 -4.770 8.628 784 H GLN 105 H GLN 105 -11.100 -5.652 6.901 785 HA GLN 105 HA GLN 105 -10.800 -7.227 4.425 786 HB2 GLN 105 HB2 GLN 105 -13.411 -6.739 5.880 787 HB3 GLN 105 HB3 GLN 105 -13.178 -7.713 4.435 788 HG2 GLN 105 HG2 GLN 105 -11.764 -9.255 5.751 789 HG3 GLN 105 HG3 GLN 105 -12.130 -8.308 7.190 790 HE21 GLN 105 HE21 GLN 105 -14.423 -8.966 4.632 791 HE22 GLN 105 HE22 GLN 105 -15.446 -10.005 5.555 792 H ILE 106 H ILE 106 -11.267 -6.124 2.549 793 HA ILE 106 HA ILE 106 -12.054 -3.313 2.900 794 HB ILE 106 HB ILE 106 -10.877 -2.697 0.953 795 HG12 ILE 106 HG12 ILE 106 -11.533 -4.697 -0.419 796 HG13 ILE 106 HG13 ILE 106 -9.872 -4.170 -0.649 797 HG21 ILE 106 HG21 ILE 106 -8.581 -3.350 1.420 798 HG22 ILE 106 HG22 ILE 106 -9.158 -4.680 2.423 799 HG23 ILE 106 HG23 ILE 106 -9.469 -3.012 2.903 800 HD11 ILE 106 HD11 ILE 106 -9.996 -6.573 -0.585 801 HD12 ILE 106 HD12 ILE 106 -10.795 -6.522 0.987 802 HD13 ILE 106 HD13 ILE 106 -9.122 -5.983 0.828 803 H SER 107 H SER 107 -13.468 -2.364 1.403 804 HA SER 107 HA SER 107 -15.234 -4.274 0.039 805 HG SER 107 HG SER 107 -17.102 -1.920 -0.901 806 HB2 SER 107 HB2 SER 107 -16.302 -2.742 1.687 807 HB3 SER 107 HB3 SER 107 -15.739 -1.365 0.741 808 H ILE 108 H ILE 108 -14.197 -4.600 -1.870 809 HA ILE 108 HA ILE 108 -13.719 -2.207 -3.505 810 HB ILE 108 HB ILE 108 -12.306 -3.772 -4.936 811 HG12 ILE 108 HG12 ILE 108 -12.348 -5.432 -2.404 812 HG13 ILE 108 HG13 ILE 108 -13.115 -5.885 -3.923 813 HG21 ILE 108 HG21 ILE 108 -11.358 -2.021 -3.556 814 HG22 ILE 108 HG22 ILE 108 -10.335 -3.457 -3.519 815 HG23 ILE 108 HG23 ILE 108 -11.387 -3.087 -2.150 816 HD11 ILE 108 HD11 ILE 108 -10.165 -5.498 -3.466 817 HD12 ILE 108 HD12 ILE 108 -10.917 -5.910 -5.006 818 HD13 ILE 108 HD13 ILE 108 -11.008 -7.037 -3.653 819 H ALA 109 H ALA 109 -15.996 -2.175 -3.964 820 HA ALA 109 HA ALA 109 -17.116 -4.313 -5.501 821 HB1 ALA 109 HB1 ALA 109 -19.062 -2.864 -5.771 822 HB2 ALA 109 HB2 ALA 109 -18.156 -1.524 -5.070 823 HB3 ALA 109 HB3 ALA 109 -18.557 -2.932 -4.083 824 H ASP 110 H ASP 110 -15.272 -1.627 -6.044 825 HA ASP 110 HA ASP 110 -15.191 -2.133 -8.896 826 HB2 ASP 110 HB2 ASP 110 -16.917 -0.412 -8.755 827 HB3 ASP 110 HB3 ASP 110 -15.840 0.612 -7.809 828 H SER 111 H SER 111 -13.243 -2.001 -9.646 829 HA SER 111 HA SER 111 -11.315 -0.068 -8.754 830 HG SER 111 HG SER 111 -11.740 -1.223 -6.701 831 HB2 SER 111 HB2 SER 111 -10.683 -3.019 -8.413 832 HB3 SER 111 HB3 SER 111 -9.566 -1.682 -8.146 833 H ASP 112 H ASP 112 -10.774 -3.249 -10.169 834 HA ASP 112 HA ASP 112 -11.098 -2.242 -12.863 835 HB2 ASP 112 HB2 ASP 112 -8.673 -1.857 -12.320 836 HB3 ASP 112 HB3 ASP 112 -8.510 -3.587 -12.028 837 H VAL 113 H VAL 113 -12.270 -3.724 -13.888 838 HA VAL 113 HA VAL 113 -13.261 -5.962 -12.569 839 HB VAL 113 HB VAL 113 -13.217 -5.604 -15.555 840 HG11 VAL 113 HG11 VAL 113 -15.296 -6.908 -15.483 841 HG12 VAL 113 HG12 VAL 113 -15.089 -7.111 -13.743 842 HG13 VAL 113 HG13 VAL 113 -13.917 -7.812 -14.858 843 HG21 VAL 113 HG21 VAL 113 -14.063 -3.578 -14.505 844 HG22 VAL 113 HG22 VAL 113 -15.189 -4.533 -13.541 845 HG23 VAL 113 HG23 VAL 113 -15.374 -4.456 -15.292 846 H ALA 114 H ALA 114 -12.400 -7.820 -12.123 847 HA ALA 114 HA ALA 114 -9.960 -8.672 -13.421 848 HB1 ALA 114 HB1 ALA 114 -9.854 -10.387 -11.717 849 HB2 ALA 114 HB2 ALA 114 -11.489 -9.993 -11.185 850 HB3 ALA 114 HB3 ALA 114 -10.189 -8.819 -10.981 851 H VAL 115 H VAL 115 -10.747 -9.164 -15.507 852 HA VAL 115 HA VAL 115 -12.504 -11.471 -15.765 853 HB VAL 115 HB VAL 115 -10.983 -10.086 -17.961 854 HG11 VAL 115 HG11 VAL 115 -13.445 -11.818 -18.023 855 HG12 VAL 115 HG12 VAL 115 -11.824 -12.300 -18.521 856 HG13 VAL 115 HG13 VAL 115 -12.689 -11.054 -19.420 857 HG21 VAL 115 HG21 VAL 115 -12.359 -8.425 -16.852 858 HG22 VAL 115 HG22 VAL 115 -13.761 -9.489 -16.953 859 HG23 VAL 115 HG23 VAL 115 -13.050 -8.824 -18.424 860 H ASP 116 H ASP 116 -11.446 -13.162 -14.971 861 HA ASP 116 HA ASP 116 -9.121 -14.170 -16.359 862 HB2 ASP 116 HB2 ASP 116 -8.351 -12.598 -14.446 863 HB3 ASP 116 HB3 ASP 116 -8.933 -13.854 -13.359 864 H ASN 117 H ASN 117 -8.611 -15.991 -14.033 865 HA ASN 117 HA ASN 117 -10.465 -18.027 -14.744 866 HB2 ASN 117 HB2 ASN 117 -8.384 -17.842 -12.563 867 HB3 ASN 117 HB3 ASN 117 -9.354 -19.284 -12.845 868 HD21 ASN 117 HD21 ASN 117 -6.859 -17.201 -14.113 869 HD22 ASN 117 HD22 ASN 117 -6.267 -18.323 -15.300 870 H SER 118 H SER 118 -12.289 -18.721 -13.765 871 HA SER 118 HA SER 118 -13.631 -17.104 -11.878 872 HG SER 118 HG SER 118 -16.321 -18.464 -12.062 873 HB2 SER 118 HB2 SER 118 -14.793 -18.613 -13.475 874 HB3 SER 118 HB3 SER 118 -14.167 -20.004 -12.594 875 H GLN 119 H GLN 119 -11.928 -20.193 -11.601 876 HA GLN 119 HA GLN 119 -11.531 -19.587 -8.755 877 HB2 GLN 119 HB2 GLN 119 -11.386 -21.989 -8.309 878 HB3 GLN 119 HB3 GLN 119 -12.946 -21.576 -9.006 879 HG2 GLN 119 HG2 GLN 119 -12.299 -22.461 -11.135 880 HG3 GLN 119 HG3 GLN 119 -10.643 -22.711 -10.577 881 HE21 GLN 119 HE21 GLN 119 -13.906 -23.880 -10.500 882 HE22 GLN 119 HE22 GLN 119 -13.562 -25.397 -9.721 883 HA PRO 120 HA PRO 120 -7.251 -19.429 -10.039 884 HB2 PRO 120 HB2 PRO 120 -6.701 -19.391 -7.153 885 HB3 PRO 120 HB3 PRO 120 -6.339 -18.171 -8.377 886 HG2 PRO 120 HG2 PRO 120 -8.246 -17.797 -6.510 887 HG3 PRO 120 HG3 PRO 120 -8.390 -17.143 -8.150 888 HD2 PRO 120 HD2 PRO 120 -9.676 -19.569 -6.957 889 HD3 PRO 120 HD3 PRO 120 -10.363 -18.351 -8.056 890 H LEU 121 H LEU 121 -5.210 -20.596 -9.313 891 HA LEU 121 HA LEU 121 -5.598 -23.388 -9.301 892 HG LEU 121 HG LEU 121 -3.805 -23.517 -11.051 893 HB2 LEU 121 HB2 LEU 121 -3.191 -21.659 -8.750 894 HB3 LEU 121 HB3 LEU 121 -3.111 -23.406 -8.663 895 HD11 LEU 121 HD11 LEU 121 -4.953 -21.384 -11.230 896 HD12 LEU 121 HD12 LEU 121 -3.660 -21.509 -12.424 897 HD13 LEU 121 HD13 LEU 121 -3.431 -20.531 -10.974 898 HD21 LEU 121 HD21 LEU 121 -1.466 -23.663 -10.405 899 HD22 LEU 121 HD22 LEU 121 -1.327 -21.906 -10.476 900 HD23 LEU 121 HD23 LEU 121 -1.644 -22.825 -11.946 901 HA PRO 122 HA PRO 122 -6.299 -24.586 -5.136 902 HB2 PRO 122 HB2 PRO 122 -4.237 -26.445 -4.776 903 HB3 PRO 122 HB3 PRO 122 -5.845 -26.784 -5.423 904 HG2 PRO 122 HG2 PRO 122 -3.283 -26.292 -6.869 905 HG3 PRO 122 HG3 PRO 122 -4.598 -27.415 -7.262 906 HD2 PRO 122 HD2 PRO 122 -4.297 -25.129 -8.606 907 HD3 PRO 122 HD3 PRO 122 -5.917 -25.733 -8.190 908 H LEU 123 H LEU 123 -5.854 -22.920 -3.809 909 HA LEU 123 HA LEU 123 -3.055 -22.442 -3.074 910 HG LEU 123 HG LEU 123 -6.538 -21.298 -3.079 911 HB2 LEU 123 HB2 LEU 123 -3.914 -20.340 -2.039 912 HB3 LEU 123 HB3 LEU 123 -4.125 -20.437 -3.774 913 HD11 LEU 123 HD11 LEU 123 -5.757 -19.530 -0.769 914 HD12 LEU 123 HD12 LEU 123 -6.098 -21.257 -0.673 915 HD13 LEU 123 HD13 LEU 123 -7.377 -20.128 -1.120 916 HD21 LEU 123 HD21 LEU 123 -5.678 -18.411 -3.055 917 HD22 LEU 123 HD22 LEU 123 -7.324 -18.993 -3.312 918 HD23 LEU 123 HD23 LEU 123 -6.060 -19.374 -4.482 919 H GLU 124 H GLU 124 -2.318 -22.728 -1.052 920 HA GLU 124 HA GLU 124 -3.736 -24.579 0.569 921 HB2 GLU 124 HB2 GLU 124 -1.143 -23.097 0.996 922 HB3 GLU 124 HB3 GLU 124 -1.774 -24.287 2.125 923 HG2 GLU 124 HG2 GLU 124 -1.683 -25.996 0.391 924 HG3 GLU 124 HG3 GLU 124 -1.075 -24.804 -0.756 925 H HIS 125 H HIS 125 -5.475 -23.916 1.598 926 HA HIS 125 HA HIS 125 -5.250 -21.487 3.244 927 HD1 HIS 125 HD1 HIS 125 -7.136 -23.024 -0.126 928 HD2 HIS 125 HD2 HIS 125 -9.449 -23.733 3.256 929 HE1 HIS 125 HE1 HIS 125 -8.773 -24.808 -0.787 930 HE2 HIS 125 HE2 HIS 125 -10.034 -25.347 1.326 931 HB2 HIS 125 HB2 HIS 125 -7.788 -21.537 3.284 932 HB3 HIS 125 HB3 HIS 125 -7.053 -21.127 1.742 933 H HIS 126 H HIS 126 -4.386 -22.261 5.050 934 HA HIS 126 HA HIS 126 -5.562 -24.674 6.247 935 HD1 HIS 126 HD1 HIS 126 -4.054 -26.964 6.831 936 HD2 HIS 126 HD2 HIS 126 -2.582 -24.139 9.508 937 HE1 HIS 126 HE1 HIS 126 -3.626 -28.211 8.972 938 HE2 HIS 126 HE2 HIS 126 -2.497 -26.537 10.478 939 HB2 HIS 126 HB2 HIS 126 -3.105 -24.655 5.775 940 HB3 HIS 126 HB3 HIS 126 -2.935 -23.336 6.927 941 H HIS 127 H HIS 127 -7.198 -24.099 7.488 942 HA HIS 127 HA HIS 127 -6.823 -22.912 9.996 943 HD1 HIS 127 HD1 HIS 127 -6.740 -20.428 11.426 944 HD2 HIS 127 HD2 HIS 127 -10.354 -20.141 9.385 945 HE1 HIS 127 HE1 HIS 127 -8.314 -19.252 12.990 946 HE2 HIS 127 HE2 HIS 127 -10.413 -18.886 11.648 947 HB2 HIS 127 HB2 HIS 127 -6.665 -20.788 8.731 948 HB3 HIS 127 HB3 HIS 127 -8.227 -21.114 7.991 949 H HIS 128 H HIS 128 -8.660 -23.237 11.280 950 HA HIS 128 HA HIS 128 -10.463 -25.204 10.586 951 HD1 HIS 128 HD1 HIS 128 -11.075 -26.681 13.183 952 HD2 HIS 128 HD2 HIS 128 -13.750 -23.530 12.709 953 HE1 HIS 128 HE1 HIS 128 -13.329 -27.594 13.845 954 HE2 HIS 128 HE2 HIS 128 -14.952 -25.706 13.430 955 HB2 HIS 128 HB2 HIS 128 -9.963 -24.356 12.902 956 HB3 HIS 128 HB3 HIS 128 -11.016 -22.987 12.565 957 H HIS 129 H HIS 129 -11.696 -25.099 8.820 958 HA HIS 129 HA HIS 129 -12.807 -22.561 7.960 959 HD1 HIS 129 HD1 HIS 129 -15.098 -24.953 5.338 960 HD2 HIS 129 HD2 HIS 129 -12.435 -21.790 4.910 961 HE1 HIS 129 HE1 HIS 129 -16.024 -23.542 3.476 962 HE2 HIS 129 HE2 HIS 129 -14.333 -21.692 3.157 963 HB2 HIS 129 HB2 HIS 129 -11.654 -24.102 6.376 964 HB3 HIS 129 HB3 HIS 129 -12.938 -25.276 6.634 965 H HIS 130 H HIS 130 -14.888 -21.988 8.060 966 HA HIS 130 HA HIS 130 -16.836 -23.908 9.083 967 HD1 HIS 130 HD1 HIS 130 -16.274 -20.300 11.422 968 HD2 HIS 130 HD2 HIS 130 -18.457 -23.826 11.071 969 HE1 HIS 130 HE1 HIS 130 -16.700 -21.079 13.776 970 HE2 HIS 130 HE2 HIS 130 -18.220 -23.080 13.531 971 HB2 HIS 130 HB2 HIS 130 -16.643 -20.946 9.051 972 HB3 HIS 130 HB3 HIS 130 -18.260 -21.622 8.886 Start of MODEL 12 1 HA MET 1 HA MET 1 -17.394 -9.164 4.389 2 H1 MET 1 H1 MET 1 -18.753 -9.115 6.294 3 H2 MET 1 H2 MET 1 -17.564 -10.296 6.562 4 H3 MET 1 H3 MET 1 -19.139 -10.756 6.158 5 HB2 MET 1 HB2 MET 1 -16.554 -11.510 4.927 6 HB3 MET 1 HB3 MET 1 -18.007 -12.115 4.146 7 HG2 MET 1 HG2 MET 1 -16.008 -10.339 2.773 8 HG3 MET 1 HG3 MET 1 -15.931 -12.096 2.745 9 HE1 MET 1 HE1 MET 1 -17.100 -11.218 -0.884 10 HE2 MET 1 HE2 MET 1 -15.917 -12.086 0.093 11 HE3 MET 1 HE3 MET 1 -15.959 -10.324 0.121 12 H SER 2 H SER 2 -18.822 -7.956 3.286 13 HA SER 2 HA SER 2 -21.081 -9.379 2.044 14 HG SER 2 HG SER 2 -22.518 -8.413 4.228 15 HB2 SER 2 HB2 SER 2 -21.125 -6.444 2.769 16 HB3 SER 2 HB3 SER 2 -22.481 -7.457 2.274 17 H GLN 3 H GLN 3 -20.101 -6.038 1.511 18 HA GLN 3 HA GLN 3 -19.208 -6.751 -1.196 19 HB2 GLN 3 HB2 GLN 3 -19.427 -4.372 -1.719 20 HB3 GLN 3 HB3 GLN 3 -20.928 -4.988 -1.046 21 HG2 GLN 3 HG2 GLN 3 -20.331 -4.014 1.130 22 HG3 GLN 3 HG3 GLN 3 -18.857 -3.360 0.415 23 HE21 GLN 3 HE21 GLN 3 -19.432 -1.236 0.806 24 HE22 GLN 3 HE22 GLN 3 -20.687 -0.436 -0.067 25 H TRP 4 H TRP 4 -17.843 -7.086 1.408 26 HA TRP 4 HA TRP 4 -15.473 -5.377 1.029 27 HD1 TRP 4 HD1 TRP 4 -18.927 -5.932 3.488 28 HE1 TRP 4 HE1 TRP 4 -20.047 -3.650 3.902 29 HE3 TRP 4 HE3 TRP 4 -14.802 -2.955 3.154 30 HZ2 TRP 4 HZ2 TRP 4 -19.263 -0.939 4.082 31 HZ3 TRP 4 HZ3 TRP 4 -15.067 -0.529 3.466 32 HH2 TRP 4 HH2 TRP 4 -17.250 0.456 3.916 33 HB2 TRP 4 HB2 TRP 4 -16.335 -6.683 3.619 34 HB3 TRP 4 HB3 TRP 4 -15.126 -5.424 3.397 35 H THR 5 H THR 5 -13.801 -6.545 0.263 36 HA THR 5 HA THR 5 -13.798 -9.427 0.645 37 HB THR 5 HB THR 5 -13.289 -8.718 -1.591 38 HG1 THR 5 HG1 THR 5 -11.565 -9.988 -1.871 39 HG21 THR 5 HG21 THR 5 -12.507 -6.457 -1.127 40 HG22 THR 5 HG22 THR 5 -11.355 -7.327 -2.140 41 HG23 THR 5 HG23 THR 5 -11.026 -7.104 -0.423 42 H THR 6 H THR 6 -12.295 -10.541 1.819 43 HA THR 6 HA THR 6 -11.195 -9.056 4.032 44 HB THR 6 HB THR 6 -10.947 -12.020 3.498 45 HG1 THR 6 HG1 THR 6 -13.130 -10.467 4.179 46 HG21 THR 6 HG21 THR 6 -9.518 -11.153 5.289 47 HG22 THR 6 HG22 THR 6 -10.806 -12.164 5.945 48 HG23 THR 6 HG23 THR 6 -10.923 -10.406 6.054 49 H VAL 7 H VAL 7 -9.182 -8.298 4.141 50 HA VAL 7 HA VAL 7 -7.249 -9.050 2.111 51 HB VAL 7 HB VAL 7 -6.897 -7.114 4.407 52 HG11 VAL 7 HG11 VAL 7 -5.392 -7.407 1.813 53 HG12 VAL 7 HG12 VAL 7 -4.807 -7.867 3.411 54 HG13 VAL 7 HG13 VAL 7 -5.112 -6.170 3.039 55 HG21 VAL 7 HG21 VAL 7 -7.833 -6.597 1.593 56 HG22 VAL 7 HG22 VAL 7 -7.392 -5.351 2.761 57 HG23 VAL 7 HG23 VAL 7 -8.773 -6.404 3.072 58 H CYS 8 H CYS 8 -6.607 -8.424 5.516 59 HA CYS 8 HA CYS 8 -5.635 -11.091 6.021 60 HG CYS 8 HG CYS 8 -4.396 -10.893 3.629 61 HB2 CYS 8 HB2 CYS 8 -3.728 -8.731 5.947 62 HB3 CYS 8 HB3 CYS 8 -3.337 -10.307 6.623 63 H LYS 9 H LYS 9 -4.397 -10.906 8.313 64 HA LYS 9 HA LYS 9 -6.326 -9.869 10.137 65 HB2 LYS 9 HB2 LYS 9 -3.581 -11.061 10.525 66 HB3 LYS 9 HB3 LYS 9 -4.586 -10.526 11.866 67 HG2 LYS 9 HG2 LYS 9 -6.288 -12.130 11.286 68 HG3 LYS 9 HG3 LYS 9 -5.391 -12.608 9.846 69 HD2 LYS 9 HD2 LYS 9 -5.098 -14.221 11.667 70 HD3 LYS 9 HD3 LYS 9 -3.573 -13.446 11.235 71 HE2 LYS 9 HE2 LYS 9 -3.833 -13.641 13.659 72 HE3 LYS 9 HE3 LYS 9 -3.766 -11.956 13.147 73 HZ1 LYS 9 HZ1 LYS 9 -6.265 -13.452 13.762 74 HZ2 LYS 9 HZ2 LYS 9 -6.147 -11.811 13.361 75 HZ3 LYS 9 HZ3 LYS 9 -5.492 -12.369 14.814 76 H LEU 10 H LEU 10 -6.115 -8.213 11.624 77 HA LEU 10 HA LEU 10 -4.923 -5.840 10.646 78 HG LEU 10 HG LEU 10 -4.737 -4.331 13.308 79 HB2 LEU 10 HB2 LEU 10 -6.971 -5.883 11.997 80 HB3 LEU 10 HB3 LEU 10 -6.058 -6.478 13.372 81 HD11 LEU 10 HD11 LEU 10 -5.214 -3.701 11.003 82 HD12 LEU 10 HD12 LEU 10 -5.723 -2.439 12.126 83 HD13 LEU 10 HD13 LEU 10 -6.922 -3.510 11.403 84 HD21 LEU 10 HD21 LEU 10 -6.476 -3.020 14.399 85 HD22 LEU 10 HD22 LEU 10 -6.542 -4.707 14.911 86 HD23 LEU 10 HD23 LEU 10 -7.710 -4.095 13.741 87 H ASP 11 H ASP 11 -3.823 -8.330 12.746 88 HA ASP 11 HA ASP 11 -1.732 -6.656 13.912 89 HB2 ASP 11 HB2 ASP 11 -1.387 -8.557 15.475 90 HB3 ASP 11 HB3 ASP 11 -3.030 -7.929 15.523 91 H ASP 12 H ASP 12 -2.210 -8.814 11.399 92 HA ASP 12 HA ASP 12 0.351 -10.025 11.254 93 HB2 ASP 12 HB2 ASP 12 -1.415 -10.905 9.866 94 HB3 ASP 12 HB3 ASP 12 -1.684 -9.334 9.121 95 H ILE 13 H ILE 13 -0.958 -6.933 10.506 96 HA ILE 13 HA ILE 13 1.562 -6.062 9.260 97 HB ILE 13 HB ILE 13 -1.113 -4.652 9.355 98 HG12 ILE 13 HG12 ILE 13 0.260 -6.071 7.058 99 HG13 ILE 13 HG13 ILE 13 -1.087 -6.728 7.980 100 HG21 ILE 13 HG21 ILE 13 -0.128 -3.138 7.690 101 HG22 ILE 13 HG22 ILE 13 1.416 -3.977 7.845 102 HG23 ILE 13 HG23 ILE 13 0.752 -3.088 9.217 103 HD11 ILE 13 HD11 ILE 13 -1.850 -5.820 5.878 104 HD12 ILE 13 HD12 ILE 13 -1.140 -4.255 6.274 105 HD13 ILE 13 HD13 ILE 13 -2.493 -4.876 7.222 106 H LEU 14 H LEU 14 2.923 -4.787 10.344 107 HA LEU 14 HA LEU 14 2.224 -4.104 13.086 108 HG LEU 14 HG LEU 14 4.115 -6.303 11.852 109 HB2 LEU 14 HB2 LEU 14 4.865 -3.966 11.627 110 HB3 LEU 14 HB3 LEU 14 4.628 -3.734 13.346 111 HD11 LEU 14 HD11 LEU 14 6.077 -7.133 13.030 112 HD12 LEU 14 HD12 LEU 14 6.325 -5.544 13.752 113 HD13 LEU 14 HD13 LEU 14 6.487 -5.755 12.008 114 HD21 LEU 14 HD21 LEU 14 3.991 -5.662 14.797 115 HD22 LEU 14 HD22 LEU 14 3.869 -7.276 14.098 116 HD23 LEU 14 HD23 LEU 14 2.628 -6.071 13.755 117 HA PRO 15 HA PRO 15 1.604 0.240 12.418 118 HB2 PRO 15 HB2 PRO 15 3.063 0.561 14.985 119 HB3 PRO 15 HB3 PRO 15 1.454 1.129 14.527 120 HG2 PRO 15 HG2 PRO 15 1.746 -0.935 16.181 121 HG3 PRO 15 HG3 PRO 15 0.467 -0.931 14.949 122 HD2 PRO 15 HD2 PRO 15 3.098 -2.358 14.950 123 HD3 PRO 15 HD3 PRO 15 1.510 -2.928 14.399 124 H GLY 16 H GLY 16 2.727 2.045 11.748 125 HA2 GLY 16 HA2 GLY 16 4.553 3.339 11.155 126 HA3 GLY 16 HA3 GLY 16 5.586 2.247 12.070 127 H THR 17 H THR 17 3.385 1.057 9.643 128 HA THR 17 HA THR 17 5.584 0.686 7.742 129 HB THR 17 HB THR 17 3.846 -1.683 8.367 130 HG1 THR 17 HG1 THR 17 4.638 -1.509 10.360 131 HG21 THR 17 HG21 THR 17 5.325 -1.731 6.404 132 HG22 THR 17 HG22 THR 17 5.810 -2.925 7.609 133 HG23 THR 17 HG23 THR 17 6.714 -1.420 7.445 134 H GLY 18 H GLY 18 4.554 -0.572 5.730 135 HA2 GLY 18 HA2 GLY 18 1.824 -0.444 5.179 136 HA3 GLY 18 HA3 GLY 18 2.527 1.087 4.674 137 H VAL 19 H VAL 19 1.966 -2.148 3.830 138 HA VAL 19 HA VAL 19 3.497 -1.762 1.369 139 HB VAL 19 HB VAL 19 4.157 -4.164 1.364 140 HG11 VAL 19 HG11 VAL 19 6.016 -3.939 2.927 141 HG12 VAL 19 HG12 VAL 19 5.207 -2.575 3.699 142 HG13 VAL 19 HG13 VAL 19 5.752 -2.446 2.026 143 HG21 VAL 19 HG21 VAL 19 3.241 -4.101 4.239 144 HG22 VAL 19 HG22 VAL 19 4.103 -5.428 3.456 145 HG23 VAL 19 HG23 VAL 19 2.476 -4.998 2.927 146 H CYS 20 H CYS 20 2.896 -3.513 -0.279 147 HA CYS 20 HA CYS 20 0.027 -3.440 -0.513 148 HG CYS 20 HG CYS 20 3.077 -5.711 -1.845 149 HB2 CYS 20 HB2 CYS 20 0.515 -4.500 -2.753 150 HB3 CYS 20 HB3 CYS 20 1.241 -2.918 -2.486 151 H ALA 21 H ALA 21 -1.359 -5.060 -0.229 152 HA ALA 21 HA ALA 21 -0.279 -7.764 0.223 153 HB1 ALA 21 HB1 ALA 21 -2.871 -6.563 1.203 154 HB2 ALA 21 HB2 ALA 21 -1.427 -6.851 2.175 155 HB3 ALA 21 HB3 ALA 21 -2.324 -8.212 1.502 156 H LEU 22 H LEU 22 -1.184 -9.484 -0.880 157 HA LEU 22 HA LEU 22 -2.416 -8.821 -3.394 158 HG LEU 22 HG LEU 22 -1.318 -12.105 -4.683 159 HB2 LEU 22 HB2 LEU 22 -0.648 -10.615 -2.996 160 HB3 LEU 22 HB3 LEU 22 -1.916 -11.578 -2.272 161 HD11 LEU 22 HD11 LEU 22 -3.637 -12.471 -5.366 162 HD12 LEU 22 HD12 LEU 22 -4.184 -11.405 -4.072 163 HD13 LEU 22 HD13 LEU 22 -3.375 -12.924 -3.681 164 HD21 LEU 22 HD21 LEU 22 -2.328 -10.690 -6.405 165 HD22 LEU 22 HD22 LEU 22 -1.099 -9.817 -5.488 166 HD23 LEU 22 HD23 LEU 22 -2.809 -9.530 -5.167 167 H VAL 23 H VAL 23 -4.485 -8.169 -3.194 168 HA VAL 23 HA VAL 23 -6.305 -9.790 -1.562 169 HB VAL 23 HB VAL 23 -6.883 -7.103 -2.818 170 HG11 VAL 23 HG11 VAL 23 -8.725 -7.033 -1.204 171 HG12 VAL 23 HG12 VAL 23 -8.282 -8.642 -0.633 172 HG13 VAL 23 HG13 VAL 23 -8.860 -8.421 -2.282 173 HG21 VAL 23 HG21 VAL 23 -5.043 -6.877 -1.248 174 HG22 VAL 23 HG22 VAL 23 -5.974 -7.724 -0.012 175 HG23 VAL 23 HG23 VAL 23 -6.509 -6.148 -0.594 176 H GLU 24 H GLU 24 -6.311 -11.479 -3.092 177 HA GLU 24 HA GLU 24 -7.259 -12.750 -4.685 178 HB2 GLU 24 HB2 GLU 24 -9.197 -10.449 -4.937 179 HB3 GLU 24 HB3 GLU 24 -9.408 -12.024 -5.688 180 HG2 GLU 24 HG2 GLU 24 -9.370 -13.048 -3.432 181 HG3 GLU 24 HG3 GLU 24 -9.301 -11.429 -2.741 182 H GLN 25 H GLN 25 -7.796 -9.553 -6.172 183 HA GLN 25 HA GLN 25 -6.215 -10.523 -8.465 184 HB2 GLN 25 HB2 GLN 25 -8.593 -8.657 -8.489 185 HB3 GLN 25 HB3 GLN 25 -7.657 -9.128 -9.900 186 HG2 GLN 25 HG2 GLN 25 -8.318 -11.460 -9.550 187 HG3 GLN 25 HG3 GLN 25 -9.279 -10.970 -8.158 188 HE21 GLN 25 HE21 GLN 25 -10.136 -8.478 -9.490 189 HE22 GLN 25 HE22 GLN 25 -11.333 -8.965 -10.649 190 H GLN 26 H GLN 26 -6.921 -7.797 -6.367 191 HA GLN 26 HA GLN 26 -5.000 -6.148 -7.853 192 HB2 GLN 26 HB2 GLN 26 -7.188 -5.430 -5.908 193 HB3 GLN 26 HB3 GLN 26 -5.975 -4.278 -6.440 194 HG2 GLN 26 HG2 GLN 26 -6.718 -4.633 -8.767 195 HG3 GLN 26 HG3 GLN 26 -7.994 -5.691 -8.162 196 HE21 GLN 26 HE21 GLN 26 -8.437 -4.067 -5.773 197 HE22 GLN 26 HE22 GLN 26 -9.277 -2.648 -6.302 198 H GLN 27 H GLN 27 -3.375 -5.014 -6.781 199 HA GLN 27 HA GLN 27 -2.595 -6.045 -4.163 200 HB2 GLN 27 HB2 GLN 27 -1.178 -4.244 -6.141 201 HB3 GLN 27 HB3 GLN 27 -0.552 -4.585 -4.538 202 HG2 GLN 27 HG2 GLN 27 0.605 -6.028 -5.944 203 HG3 GLN 27 HG3 GLN 27 -0.630 -7.039 -5.203 204 HE21 GLN 27 HE21 GLN 27 0.408 -5.449 -8.125 205 HE22 GLN 27 HE22 GLN 27 -0.609 -6.342 -9.203 206 H ILE 28 H ILE 28 -3.345 -5.017 -2.419 207 HA ILE 28 HA ILE 28 -3.854 -2.114 -2.626 208 HB ILE 28 HB ILE 28 -5.209 -4.216 -0.927 209 HG12 ILE 28 HG12 ILE 28 -7.261 -2.970 -1.863 210 HG13 ILE 28 HG13 ILE 28 -6.140 -2.237 -3.003 211 HG21 ILE 28 HG21 ILE 28 -6.406 -2.418 0.225 212 HG22 ILE 28 HG22 ILE 28 -5.390 -1.229 -0.590 213 HG23 ILE 28 HG23 ILE 28 -4.671 -2.370 0.547 214 HD11 ILE 28 HD11 ILE 28 -5.557 -4.430 -3.859 215 HD12 ILE 28 HD12 ILE 28 -7.297 -4.156 -3.957 216 HD13 ILE 28 HD13 ILE 28 -6.634 -5.186 -2.686 217 H ALA 29 H ALA 29 -2.663 -0.813 -1.403 218 HA ALA 29 HA ALA 29 -0.681 -1.980 0.369 219 HB1 ALA 29 HB1 ALA 29 0.035 -0.241 -1.191 220 HB2 ALA 29 HB2 ALA 29 0.243 0.294 0.477 221 HB3 ALA 29 HB3 ALA 29 -1.118 0.885 -0.475 222 H VAL 30 H VAL 30 -0.757 -1.916 2.521 223 HA VAL 30 HA VAL 30 -3.093 -0.549 3.701 224 HB VAL 30 HB VAL 30 -1.604 -2.901 4.886 225 HG11 VAL 30 HG11 VAL 30 -2.720 -1.485 6.528 226 HG12 VAL 30 HG12 VAL 30 -3.539 -3.040 6.387 227 HG13 VAL 30 HG13 VAL 30 -4.230 -1.607 5.626 228 HG21 VAL 30 HG21 VAL 30 -2.715 -3.578 2.823 229 HG22 VAL 30 HG22 VAL 30 -4.227 -2.870 3.391 230 HG23 VAL 30 HG23 VAL 30 -3.537 -4.260 4.227 231 H PHE 31 H PHE 31 -2.269 1.380 4.209 232 HA PHE 31 HA PHE 31 0.303 1.759 5.384 233 HD1 PHE 31 HD2 PHE 31 -2.329 2.952 2.785 234 HD2 PHE 31 HD1 PHE 31 1.292 4.559 4.337 235 HE1 PHE 31 HE2 PHE 31 -1.582 3.471 0.501 236 HE2 PHE 31 HE1 PHE 31 2.042 5.083 2.056 237 HZ PHE 31 HZ PHE 31 0.608 4.540 0.134 238 HB2 PHE 31 HB2 PHE 31 -2.086 3.596 5.154 239 HB3 PHE 31 HB3 PHE 31 -0.519 4.092 5.780 240 H ARG 32 H ARG 32 0.878 2.041 7.466 241 HA ARG 32 HA ARG 32 -1.243 1.978 9.496 242 HE ARG 32 HE ARG 32 -2.339 -0.493 13.135 243 HB2 ARG 32 HB2 ARG 32 -0.008 -0.241 9.107 244 HB3 ARG 32 HB3 ARG 32 1.382 0.553 9.831 245 HG2 ARG 32 HG2 ARG 32 0.291 -0.737 11.506 246 HG3 ARG 32 HG3 ARG 32 0.010 0.967 11.861 247 HD2 ARG 32 HD2 ARG 32 -2.215 0.862 11.243 248 HD3 ARG 32 HD3 ARG 32 -1.974 -0.572 10.244 249 HH11 ARG 32 HH11 ARG 32 -1.641 -2.367 10.269 250 HH12 ARG 32 HH12 ARG 32 -1.959 -3.891 11.033 251 HH21 ARG 32 HH21 ARG 32 -2.820 -2.526 14.136 252 HH22 ARG 32 HH22 ARG 32 -2.641 -3.980 13.190 253 HA PRO 33 HA PRO 33 1.962 5.314 10.282 254 HB2 PRO 33 HB2 PRO 33 -0.020 7.341 9.755 255 HB3 PRO 33 HB3 PRO 33 1.490 7.043 8.897 256 HG2 PRO 33 HG2 PRO 33 -0.989 6.647 7.805 257 HG3 PRO 33 HG3 PRO 33 0.470 5.784 7.285 258 HD2 PRO 33 HD2 PRO 33 -1.725 4.873 9.109 259 HD3 PRO 33 HD3 PRO 33 -0.859 3.974 7.842 260 H ARG 34 H ARG 34 -1.352 4.805 11.080 261 HA ARG 34 HA ARG 34 -1.292 6.332 13.526 262 HE ARG 34 HE ARG 34 -4.016 9.364 11.956 263 HB2 ARG 34 HB2 ARG 34 -3.291 4.420 12.317 264 HB3 ARG 34 HB3 ARG 34 -3.514 5.147 13.901 265 HG2 ARG 34 HG2 ARG 34 -3.180 6.698 11.345 266 HG3 ARG 34 HG3 ARG 34 -4.731 6.313 12.099 267 HD2 ARG 34 HD2 ARG 34 -3.862 7.450 14.174 268 HD3 ARG 34 HD3 ARG 34 -2.511 8.021 13.196 269 HH11 ARG 34 HH11 ARG 34 -5.534 7.667 14.610 270 HH12 ARG 34 HH12 ARG 34 -6.869 8.771 14.719 271 HH21 ARG 34 HH21 ARG 34 -5.788 10.798 12.058 272 HH22 ARG 34 HH22 ARG 34 -7.032 10.537 13.247 273 H ASN 35 H ASN 35 -1.342 5.424 15.620 274 HA ASN 35 HA ASN 35 0.229 3.048 15.899 275 HB2 ASN 35 HB2 ASN 35 0.444 4.971 17.455 276 HB3 ASN 35 HB3 ASN 35 -1.186 4.659 18.042 277 HD21 ASN 35 HD21 ASN 35 -1.546 2.964 19.428 278 HD22 ASN 35 HD22 ASN 35 -0.267 2.070 20.172 279 H ASP 36 H ASP 36 -1.213 1.692 14.730 280 HA ASP 36 HA ASP 36 -2.621 -0.067 14.581 281 HB2 ASP 36 HB2 ASP 36 -1.548 -0.612 16.803 282 HB3 ASP 36 HB3 ASP 36 -2.949 0.109 17.582 283 H GLU 37 H GLU 37 -4.925 -0.822 15.407 284 HA GLU 37 HA GLU 37 -7.124 -0.569 15.485 285 HB2 GLU 37 HB2 GLU 37 -6.531 2.155 16.603 286 HB3 GLU 37 HB3 GLU 37 -8.018 1.243 16.738 287 HG2 GLU 37 HG2 GLU 37 -6.892 -0.469 18.037 288 HG3 GLU 37 HG3 GLU 37 -5.378 0.423 17.893 289 H GLN 38 H GLN 38 -5.342 1.834 13.750 290 HA GLN 38 HA GLN 38 -7.636 2.132 11.943 291 HB2 GLN 38 HB2 GLN 38 -7.428 4.144 13.384 292 HB3 GLN 38 HB3 GLN 38 -5.791 4.375 12.789 293 HG2 GLN 38 HG2 GLN 38 -7.371 5.866 11.690 294 HG3 GLN 38 HG3 GLN 38 -6.630 4.749 10.546 295 HE21 GLN 38 HE21 GLN 38 -7.895 3.304 9.454 296 HE22 GLN 38 HE22 GLN 38 -9.620 3.290 9.556 297 H VAL 39 H VAL 39 -7.055 1.254 10.093 298 HA VAL 39 HA VAL 39 -4.282 1.583 9.153 299 HB VAL 39 HB VAL 39 -4.701 -0.351 7.670 300 HG11 VAL 39 HG11 VAL 39 -4.702 -2.084 9.402 301 HG12 VAL 39 HG12 VAL 39 -5.248 -0.893 10.583 302 HG13 VAL 39 HG13 VAL 39 -3.660 -0.727 9.831 303 HG21 VAL 39 HG21 VAL 39 -6.694 -1.751 8.031 304 HG22 VAL 39 HG22 VAL 39 -7.106 -0.152 7.415 305 HG23 VAL 39 HG23 VAL 39 -7.339 -0.526 9.122 306 H TYR 40 H TYR 40 -4.018 1.827 6.816 307 HA TYR 40 HA TYR 40 -6.370 2.992 5.484 308 HD1 TYR 40 HD1 TYR 40 -6.940 5.450 5.565 309 HD2 TYR 40 HD2 TYR 40 -3.037 5.186 7.236 310 HE1 TYR 40 HE1 TYR 40 -7.536 7.168 7.222 311 HE2 TYR 40 HE2 TYR 40 -3.621 6.904 8.891 312 HH TYR 40 HH TYR 40 -5.295 8.810 9.056 313 HB2 TYR 40 HB2 TYR 40 -3.514 3.978 5.330 314 HB3 TYR 40 HB3 TYR 40 -4.814 4.532 4.284 315 H ALA 41 H ALA 41 -6.773 0.994 4.496 316 HA ALA 41 HA ALA 41 -4.719 -0.105 2.747 317 HB1 ALA 41 HB1 ALA 41 -6.033 -1.663 4.082 318 HB2 ALA 41 HB2 ALA 41 -6.308 -1.924 2.359 319 HB3 ALA 41 HB3 ALA 41 -7.515 -1.077 3.326 320 H ILE 42 H ILE 42 -4.483 1.164 0.994 321 HA ILE 42 HA ILE 42 -6.894 1.723 -0.597 322 HB ILE 42 HB ILE 42 -6.086 3.950 -1.153 323 HG12 ILE 42 HG12 ILE 42 -3.892 3.460 0.877 324 HG13 ILE 42 HG13 ILE 42 -3.656 3.484 -0.866 325 HG21 ILE 42 HG21 ILE 42 -6.213 3.507 1.828 326 HG22 ILE 42 HG22 ILE 42 -7.592 3.705 0.747 327 HG23 ILE 42 HG23 ILE 42 -6.471 5.042 1.000 328 HD11 ILE 42 HD11 ILE 42 -2.963 5.577 0.127 329 HD12 ILE 42 HD12 ILE 42 -4.565 5.797 0.833 330 HD13 ILE 42 HD13 ILE 42 -4.360 5.826 -0.918 331 H SER 43 H SER 43 -6.145 2.642 -2.837 332 HA SER 43 HA SER 43 -4.378 0.649 -3.953 333 HG SER 43 HG SER 43 -6.655 0.232 -4.858 334 HB2 SER 43 HB2 SER 43 -5.827 2.903 -5.362 335 HB3 SER 43 HB3 SER 43 -5.136 1.460 -6.104 336 H ASN 44 H ASN 44 -2.484 1.502 -2.780 337 HA ASN 44 HA ASN 44 -1.221 3.669 -4.329 338 HB2 ASN 44 HB2 ASN 44 -1.935 4.519 -2.095 339 HB3 ASN 44 HB3 ASN 44 -0.910 3.304 -1.340 340 HD21 ASN 44 HD21 ASN 44 -0.977 6.253 -3.186 341 HD22 ASN 44 HD22 ASN 44 0.676 6.684 -2.931 342 H ILE 45 H ILE 45 -0.201 2.101 -5.553 343 HA ILE 45 HA ILE 45 1.921 0.602 -4.149 344 HB ILE 45 HB ILE 45 0.864 -0.263 -6.829 345 HG12 ILE 45 HG12 ILE 45 -1.112 -0.101 -5.334 346 HG13 ILE 45 HG13 ILE 45 -0.747 -1.760 -5.792 347 HG21 ILE 45 HG21 ILE 45 2.940 -1.250 -5.969 348 HG22 ILE 45 HG22 ILE 45 1.659 -2.452 -6.113 349 HG23 ILE 45 HG23 ILE 45 2.078 -1.799 -4.530 350 HD11 ILE 45 HD11 ILE 45 -0.071 -0.462 -3.162 351 HD12 ILE 45 HD12 ILE 45 0.303 -2.123 -3.617 352 HD13 ILE 45 HD13 ILE 45 -1.377 -1.609 -3.459 353 H ASP 46 H ASP 46 2.370 0.067 -7.276 354 HA ASP 46 HA ASP 46 3.183 2.494 -8.404 355 HB2 ASP 46 HB2 ASP 46 5.579 2.283 -8.290 356 HB3 ASP 46 HB3 ASP 46 4.963 2.267 -6.644 357 HA PRO 47 HA PRO 47 3.162 -0.581 -11.602 358 HB2 PRO 47 HB2 PRO 47 3.142 1.068 -13.711 359 HB3 PRO 47 HB3 PRO 47 1.775 0.996 -12.594 360 HG2 PRO 47 HG2 PRO 47 3.860 3.083 -12.894 361 HG3 PRO 47 HG3 PRO 47 2.190 3.237 -12.329 362 HD2 PRO 47 HD2 PRO 47 4.562 3.042 -10.746 363 HD3 PRO 47 HD3 PRO 47 2.882 3.110 -10.179 364 H PHE 48 H PHE 48 5.804 0.231 -10.434 365 HA PHE 48 HA PHE 48 7.440 -0.182 -12.849 366 HD1 PHE 48 HD1 PHE 48 9.274 1.503 -13.822 367 HD2 PHE 48 HD2 PHE 48 10.454 0.461 -9.867 368 HE1 PHE 48 HE1 PHE 48 11.615 1.343 -14.566 369 HE2 PHE 48 HE2 PHE 48 12.792 0.301 -10.604 370 HZ PHE 48 HZ PHE 48 13.376 0.740 -12.955 371 HB2 PHE 48 HB2 PHE 48 7.860 1.998 -11.759 372 HB3 PHE 48 HB3 PHE 48 8.268 1.161 -10.265 373 H ALA 49 H ALA 49 7.184 -0.886 -9.377 374 HA ALA 49 HA ALA 49 8.697 -3.371 -9.868 375 HB1 ALA 49 HB1 ALA 49 10.054 -1.755 -8.635 376 HB2 ALA 49 HB2 ALA 49 9.659 -3.154 -7.636 377 HB3 ALA 49 HB3 ALA 49 8.797 -1.632 -7.404 378 H GLN 50 H GLN 50 5.852 -1.914 -8.699 379 HA GLN 50 HA GLN 50 4.002 -2.659 -7.634 380 HB2 GLN 50 HB2 GLN 50 5.068 -5.365 -8.466 381 HB3 GLN 50 HB3 GLN 50 3.456 -5.080 -7.833 382 HG2 GLN 50 HG2 GLN 50 4.515 -3.802 -10.337 383 HG3 GLN 50 HG3 GLN 50 3.597 -5.305 -10.306 384 HE21 GLN 50 HE21 GLN 50 2.953 -2.801 -11.590 385 HE22 GLN 50 HE22 GLN 50 1.437 -2.290 -10.928 386 H ALA 51 H ALA 51 5.539 -1.873 -5.752 387 HA ALA 51 HA ALA 51 5.271 -3.897 -3.654 388 HB1 ALA 51 HB1 ALA 51 7.548 -4.221 -4.523 389 HB2 ALA 51 HB2 ALA 51 7.553 -3.631 -2.860 390 HB3 ALA 51 HB3 ALA 51 7.907 -2.526 -4.188 391 H SER 52 H SER 52 4.344 -1.089 -4.541 392 HA SER 52 HA SER 52 3.592 0.791 -3.538 393 HG SER 52 HG SER 52 1.577 -0.179 -1.967 394 HB2 SER 52 HB2 SER 52 4.121 -0.814 -1.027 395 HB3 SER 52 HB3 SER 52 3.274 0.733 -1.053 396 H VAL 53 H VAL 53 5.916 1.252 -4.515 397 HA VAL 53 HA VAL 53 7.904 2.017 -2.589 398 HB VAL 53 HB VAL 53 9.130 3.031 -4.401 399 HG11 VAL 53 HG11 VAL 53 9.273 0.628 -4.229 400 HG12 VAL 53 HG12 VAL 53 9.322 1.106 -5.926 401 HG13 VAL 53 HG13 VAL 53 7.841 0.437 -5.239 402 HG21 VAL 53 HG21 VAL 53 8.215 3.129 -6.690 403 HG22 VAL 53 HG22 VAL 53 7.340 4.166 -5.565 404 HG23 VAL 53 HG23 VAL 53 6.645 2.624 -6.065 405 H LEU 54 H LEU 54 5.005 3.342 -3.547 406 HA LEU 54 HA LEU 54 5.697 6.102 -2.987 407 HG LEU 54 HG LEU 54 4.453 4.851 -5.556 408 HB2 LEU 54 HB2 LEU 54 3.053 4.752 -3.543 409 HB3 LEU 54 HB3 LEU 54 3.248 6.476 -3.312 410 HD11 LEU 54 HD11 LEU 54 2.040 5.112 -5.763 411 HD12 LEU 54 HD12 LEU 54 2.888 6.072 -6.976 412 HD13 LEU 54 HD13 LEU 54 2.202 6.855 -5.552 413 HD21 LEU 54 HD21 LEU 54 5.092 7.027 -6.493 414 HD22 LEU 54 HD22 LEU 54 5.891 6.715 -4.953 415 HD23 LEU 54 HD23 LEU 54 4.519 7.822 -5.026 416 H SER 55 H SER 55 5.017 3.356 -1.227 417 HA SER 55 HA SER 55 3.664 4.787 0.948 418 HG SER 55 HG SER 55 2.281 3.443 -0.571 419 HB2 SER 55 HB2 SER 55 4.135 1.812 0.727 420 HB3 SER 55 HB3 SER 55 2.959 2.652 1.740 421 H ARG 56 H ARG 56 6.471 2.752 0.263 422 HA ARG 56 HA ARG 56 7.347 2.725 3.009 423 HE ARG 56 HE ARG 56 10.985 0.681 0.852 424 HB2 ARG 56 HB2 ARG 56 9.263 1.416 2.093 425 HB3 ARG 56 HB3 ARG 56 7.689 0.743 1.694 426 HG2 ARG 56 HG2 ARG 56 7.844 1.764 -0.541 427 HG3 ARG 56 HG3 ARG 56 9.450 2.368 -0.132 428 HD2 ARG 56 HD2 ARG 56 8.623 -0.529 -0.200 429 HD3 ARG 56 HD3 ARG 56 9.544 0.305 -1.448 430 HH11 ARG 56 HH11 ARG 56 9.761 -2.125 -0.849 431 HH12 ARG 56 HH12 ARG 56 11.114 -3.132 -0.430 432 HH21 ARG 56 HH21 ARG 56 12.741 -0.651 1.447 433 HH22 ARG 56 HH22 ARG 56 12.785 -2.307 0.914 434 H GLY 57 H GLY 57 7.231 5.326 2.377 435 HA2 GLY 57 HA2 GLY 57 10.076 6.062 2.048 436 HA3 GLY 57 HA3 GLY 57 8.779 7.020 1.351 437 H ILE 58 H ILE 58 8.150 8.704 2.446 438 HA ILE 58 HA ILE 58 8.980 8.959 5.263 439 HB ILE 58 HB ILE 58 8.478 11.094 3.176 440 HG12 ILE 58 HG12 ILE 58 11.042 10.258 4.547 441 HG13 ILE 58 HG13 ILE 58 10.592 9.825 2.900 442 HG21 ILE 58 HG21 ILE 58 9.290 12.680 4.866 443 HG22 ILE 58 HG22 ILE 58 9.335 11.376 6.052 444 HG23 ILE 58 HG23 ILE 58 7.795 11.886 5.360 445 HD11 ILE 58 HD11 ILE 58 10.619 12.185 2.276 446 HD12 ILE 58 HD12 ILE 58 12.172 11.666 2.931 447 HD13 ILE 58 HD13 ILE 58 11.067 12.616 3.927 448 H VAL 59 H VAL 59 7.414 8.844 6.685 449 HA VAL 59 HA VAL 59 4.661 9.366 5.954 450 HB VAL 59 HB VAL 59 5.901 8.618 8.606 451 HG11 VAL 59 HG11 VAL 59 2.994 8.754 7.792 452 HG12 VAL 59 HG12 VAL 59 3.806 9.809 8.949 453 HG13 VAL 59 HG13 VAL 59 3.596 8.097 9.313 454 HG21 VAL 59 HG21 VAL 59 4.957 6.402 8.182 455 HG22 VAL 59 HG22 VAL 59 6.111 6.866 6.930 456 HG23 VAL 59 HG23 VAL 59 4.379 6.950 6.609 457 H ALA 60 H ALA 60 4.426 11.522 5.573 458 HA ALA 60 HA ALA 60 5.419 13.397 7.604 459 HB1 ALA 60 HB1 ALA 60 4.496 13.973 4.792 460 HB2 ALA 60 HB2 ALA 60 6.174 13.781 5.295 461 HB3 ALA 60 HB3 ALA 60 5.215 15.125 5.916 462 H GLU 61 H GLU 61 4.003 14.065 9.047 463 HA GLU 61 HA GLU 61 1.150 14.061 8.411 464 HB2 GLU 61 HB2 GLU 61 2.003 13.123 10.567 465 HB3 GLU 61 HB3 GLU 61 2.544 14.733 11.013 466 HG2 GLU 61 HG2 GLU 61 0.272 15.537 11.014 467 HG3 GLU 61 HG3 GLU 61 -0.308 13.971 10.446 468 H HIS 62 H HIS 62 0.142 15.849 7.761 469 HA HIS 62 HA HIS 62 1.578 18.394 8.117 470 HD2 HIS 62 HD2 HIS 62 -0.958 20.266 5.162 471 HE1 HIS 62 HE1 HIS 62 2.958 21.876 5.095 472 HE2 HIS 62 HE2 HIS 62 0.554 22.221 4.363 473 HB2 HIS 62 HB2 HIS 62 1.494 17.415 5.761 474 HB3 HIS 62 HB3 HIS 62 -0.234 17.738 5.794 475 H GLN 63 H GLN 63 0.555 19.360 9.717 476 HA GLN 63 HA GLN 63 -1.023 20.419 10.924 477 HB2 GLN 63 HB2 GLN 63 -2.683 20.121 8.421 478 HB3 GLN 63 HB3 GLN 63 -3.165 21.069 9.822 479 HG2 GLN 63 HG2 GLN 63 -1.243 22.518 9.530 480 HG3 GLN 63 HG3 GLN 63 -0.694 21.543 8.170 481 HE21 GLN 63 HE21 GLN 63 -1.758 21.694 6.210 482 HE22 GLN 63 HE22 GLN 63 -2.849 22.990 5.840 483 H ASP 64 H ASP 64 -3.351 18.408 9.150 484 HA ASP 64 HA ASP 64 -3.746 16.862 11.635 485 HB2 ASP 64 HB2 ASP 64 -5.618 18.418 11.306 486 HB3 ASP 64 HB3 ASP 64 -5.886 17.771 9.693 487 H ASP 65 H ASP 65 -3.491 16.884 8.178 488 HA ASP 65 HA ASP 65 -4.503 14.182 7.889 489 HB2 ASP 65 HB2 ASP 65 -3.310 16.041 5.824 490 HB3 ASP 65 HB3 ASP 65 -4.083 14.497 5.486 491 H LEU 66 H LEU 66 -3.281 12.559 6.741 492 HA LEU 66 HA LEU 66 -0.429 12.609 7.442 493 HG LEU 66 HG LEU 66 -2.598 11.344 9.210 494 HB2 LEU 66 HB2 LEU 66 -2.289 10.272 6.976 495 HB3 LEU 66 HB3 LEU 66 -0.576 10.133 7.318 496 HD11 LEU 66 HD11 LEU 66 -2.376 9.299 10.499 497 HD12 LEU 66 HD12 LEU 66 -1.292 8.627 9.282 498 HD13 LEU 66 HD13 LEU 66 -2.981 8.943 8.879 499 HD21 LEU 66 HD21 LEU 66 -0.348 12.218 9.514 500 HD22 LEU 66 HD22 LEU 66 0.297 10.578 9.573 501 HD23 LEU 66 HD23 LEU 66 -0.782 11.147 10.847 502 H TRP 67 H TRP 67 0.840 13.015 5.755 503 HA TRP 67 HA TRP 67 -0.111 12.233 3.078 504 HD1 TRP 67 HD1 TRP 67 -0.453 15.086 5.511 505 HE1 TRP 67 HE1 TRP 67 -2.335 16.733 4.902 506 HE3 TRP 67 HE3 TRP 67 0.053 15.085 0.410 507 HZ2 TRP 67 HZ2 TRP 67 -3.470 17.859 2.589 508 HZ3 TRP 67 HZ3 TRP 67 -1.482 16.473 -0.917 509 HH2 TRP 67 HH2 TRP 67 -3.203 17.830 0.149 510 HB2 TRP 67 HB2 TRP 67 1.816 14.440 3.853 511 HB3 TRP 67 HB3 TRP 67 1.325 14.044 2.210 512 H VAL 68 H VAL 68 0.848 10.371 2.536 513 HA VAL 68 HA VAL 68 3.480 9.706 3.498 514 HB VAL 68 HB VAL 68 1.752 7.963 3.164 515 HG11 VAL 68 HG11 VAL 68 2.172 8.465 0.222 516 HG12 VAL 68 HG12 VAL 68 0.714 8.840 1.138 517 HG13 VAL 68 HG13 VAL 68 1.216 7.162 0.930 518 HG21 VAL 68 HG21 VAL 68 4.086 7.328 3.243 519 HG22 VAL 68 HG22 VAL 68 4.250 7.621 1.511 520 HG23 VAL 68 HG23 VAL 68 3.221 6.310 2.091 521 H ALA 69 H ALA 69 5.374 9.934 2.464 522 HA ALA 69 HA ALA 69 5.290 11.000 -0.282 523 HB1 ALA 69 HB1 ALA 69 7.290 12.284 0.218 524 HB2 ALA 69 HB2 ALA 69 7.333 11.624 1.853 525 HB3 ALA 69 HB3 ALA 69 6.010 12.684 1.365 526 H SER 70 H SER 70 6.456 9.973 -1.776 527 HA SER 70 HA SER 70 7.760 7.510 -1.141 528 HG SER 70 HG SER 70 6.047 9.262 -3.835 529 HB2 SER 70 HB2 SER 70 8.411 7.853 -3.704 530 HB3 SER 70 HB3 SER 70 6.781 7.383 -3.218 531 HA PRO 71 HA PRO 71 11.804 8.855 -0.153 532 HB2 PRO 71 HB2 PRO 71 13.296 6.936 -1.504 533 HB3 PRO 71 HB3 PRO 71 12.587 6.740 0.100 534 HG2 PRO 71 HG2 PRO 71 11.566 5.822 -2.550 535 HG3 PRO 71 HG3 PRO 71 11.512 5.000 -0.980 536 HD2 PRO 71 HD2 PRO 71 9.344 6.197 -1.996 537 HD3 PRO 71 HD3 PRO 71 9.688 6.241 -0.253 538 H LEU 72 H LEU 72 11.722 7.748 -3.547 539 HA LEU 72 HA LEU 72 13.670 9.789 -4.244 540 HG LEU 72 HG LEU 72 14.152 6.770 -4.199 541 HB2 LEU 72 HB2 LEU 72 12.465 7.525 -5.826 542 HB3 LEU 72 HB3 LEU 72 13.616 8.666 -6.487 543 HD11 LEU 72 HD11 LEU 72 13.941 5.628 -6.350 544 HD12 LEU 72 HD12 LEU 72 15.605 5.611 -5.770 545 HD13 LEU 72 HD13 LEU 72 15.129 6.726 -7.051 546 HD21 LEU 72 HD21 LEU 72 15.419 8.834 -3.981 547 HD22 LEU 72 HD22 LEU 72 15.977 8.686 -5.648 548 HD23 LEU 72 HD23 LEU 72 16.482 7.504 -4.439 549 H LYS 73 H LYS 73 10.396 8.820 -5.199 550 HA LYS 73 HA LYS 73 10.034 10.856 -7.123 551 HB2 LYS 73 HB2 LYS 73 7.930 9.382 -5.526 552 HB3 LYS 73 HB3 LYS 73 7.663 10.276 -7.015 553 HG2 LYS 73 HG2 LYS 73 9.477 7.884 -6.822 554 HG3 LYS 73 HG3 LYS 73 7.769 7.790 -7.259 555 HD2 LYS 73 HD2 LYS 73 8.169 9.244 -9.175 556 HD3 LYS 73 HD3 LYS 73 9.872 9.381 -8.727 557 HE2 LYS 73 HE2 LYS 73 10.257 7.074 -9.163 558 HE3 LYS 73 HE3 LYS 73 8.532 6.750 -9.318 559 HZ1 LYS 73 HZ1 LYS 73 8.467 8.011 -11.332 560 HZ2 LYS 73 HZ2 LYS 73 9.703 6.860 -11.461 561 HZ3 LYS 73 HZ3 LYS 73 10.086 8.486 -11.161 562 H LYS 74 H LYS 74 9.475 10.685 -3.678 563 HA LYS 74 HA LYS 74 9.066 12.231 -2.085 564 HB2 LYS 74 HB2 LYS 74 11.007 13.300 -3.423 565 HB3 LYS 74 HB3 LYS 74 9.781 14.389 -4.053 566 HG2 LYS 74 HG2 LYS 74 9.287 15.207 -1.860 567 HG3 LYS 74 HG3 LYS 74 10.332 13.990 -1.123 568 HD2 LYS 74 HD2 LYS 74 12.250 15.011 -2.365 569 HD3 LYS 74 HD3 LYS 74 11.158 16.306 -2.865 570 HE2 LYS 74 HE2 LYS 74 10.782 16.926 -0.565 571 HE3 LYS 74 HE3 LYS 74 11.743 15.558 -0.001 572 HZ1 LYS 74 HZ1 LYS 74 12.678 17.983 -1.427 573 HZ2 LYS 74 HZ2 LYS 74 13.636 16.589 -1.279 574 HZ3 LYS 74 HZ3 LYS 74 13.138 17.422 0.112 575 H GLN 75 H GLN 75 6.956 11.433 -3.909 576 HA GLN 75 HA GLN 75 5.303 13.817 -4.169 577 HB2 GLN 75 HB2 GLN 75 4.911 10.964 -5.079 578 HB3 GLN 75 HB3 GLN 75 3.699 12.224 -5.279 579 HG2 GLN 75 HG2 GLN 75 5.181 13.504 -6.668 580 HG3 GLN 75 HG3 GLN 75 6.493 12.365 -6.382 581 HE21 GLN 75 HE21 GLN 75 6.735 11.981 -8.573 582 HE22 GLN 75 HE22 GLN 75 5.606 11.032 -9.473 583 H HIS 76 H HIS 76 3.488 14.208 -3.035 584 HA HIS 76 HA HIS 76 3.237 12.696 -0.524 585 HD1 HIS 76 HD1 HIS 76 4.396 16.210 -2.351 586 HD2 HIS 76 HD2 HIS 76 4.766 15.072 1.642 587 HE1 HIS 76 HE1 HIS 76 6.612 17.135 -1.577 588 HE2 HIS 76 HE2 HIS 76 6.799 16.475 0.857 589 HB2 HIS 76 HB2 HIS 76 2.147 15.447 -1.149 590 HB3 HIS 76 HB3 HIS 76 2.321 14.702 0.434 591 H PHE 77 H PHE 77 1.486 11.483 -0.184 592 HA PHE 77 HA PHE 77 -0.978 12.127 -1.677 593 HD1 PHE 77 HD2 PHE 77 -1.257 10.530 -4.074 594 HD2 PHE 77 HD1 PHE 77 2.063 9.179 -1.783 595 HE1 PHE 77 HE2 PHE 77 0.051 10.254 -6.140 596 HE2 PHE 77 HE1 PHE 77 3.376 8.900 -3.843 597 HZ PHE 77 HZ PHE 77 2.370 9.440 -6.028 598 HB2 PHE 77 HB2 PHE 77 -0.069 9.382 -0.783 599 HB3 PHE 77 HB3 PHE 77 -1.502 9.752 -1.733 600 H ARG 78 H ARG 78 -2.664 12.662 -0.422 601 HA ARG 78 HA ARG 78 -2.462 12.493 2.426 602 HE ARG 78 HE ARG 78 -7.036 14.049 1.241 603 HB2 ARG 78 HB2 ARG 78 -3.645 14.361 1.380 604 HB3 ARG 78 HB3 ARG 78 -4.821 13.251 0.688 605 HG2 ARG 78 HG2 ARG 78 -5.710 12.721 2.824 606 HG3 ARG 78 HG3 ARG 78 -4.388 13.540 3.653 607 HD2 ARG 78 HD2 ARG 78 -6.287 14.964 3.772 608 HD3 ARG 78 HD3 ARG 78 -5.173 15.674 2.608 609 HH11 ARG 78 HH11 ARG 78 -6.871 17.044 3.043 610 HH12 ARG 78 HH12 ARG 78 -8.183 17.793 2.192 611 HH21 ARG 78 HH21 ARG 78 -8.777 15.021 0.099 612 HH22 ARG 78 HH22 ARG 78 -9.257 16.651 0.491 613 H LEU 79 H LEU 79 -2.683 10.685 3.489 614 HA LEU 79 HA LEU 79 -4.059 8.415 2.424 615 HG LEU 79 HG LEU 79 -1.155 9.011 3.481 616 HB2 LEU 79 HB2 LEU 79 -2.930 8.866 5.187 617 HB3 LEU 79 HB3 LEU 79 -3.432 7.321 4.522 618 HD11 LEU 79 HD11 LEU 79 0.271 7.235 4.377 619 HD12 LEU 79 HD12 LEU 79 -1.146 6.455 5.077 620 HD13 LEU 79 HD13 LEU 79 -0.644 8.046 5.649 621 HD21 LEU 79 HD21 LEU 79 -2.116 6.260 2.693 622 HD22 LEU 79 HD22 LEU 79 -0.644 7.038 2.110 623 HD23 LEU 79 HD23 LEU 79 -2.219 7.723 1.714 624 H TYR 80 H TYR 80 -6.150 9.257 2.156 625 HA TYR 80 HA TYR 80 -7.943 8.645 4.248 626 HD1 TYR 80 HD2 TYR 80 -8.554 9.899 6.728 627 HD2 TYR 80 HD1 TYR 80 -10.151 12.046 3.424 628 HE1 TYR 80 HE2 TYR 80 -10.681 10.152 7.931 629 HE2 TYR 80 HE1 TYR 80 -12.288 12.304 4.618 630 HH TYR 80 HH TYR 80 -12.633 11.707 7.915 631 HB2 TYR 80 HB2 TYR 80 -7.095 10.918 4.993 632 HB3 TYR 80 HB3 TYR 80 -7.814 11.586 3.533 633 H ASP 81 H ASP 81 -7.693 10.904 1.514 634 HA ASP 81 HA ASP 81 -9.886 9.441 0.196 635 HB2 ASP 81 HB2 ASP 81 -10.642 11.511 -0.774 636 HB3 ASP 81 HB3 ASP 81 -10.498 11.739 0.964 637 H GLY 82 H GLY 82 -6.648 10.386 0.058 638 HA2 GLY 82 HA2 GLY 82 -5.138 9.514 -1.539 639 HA3 GLY 82 HA3 GLY 82 -6.467 9.380 -2.682 640 H PHE 83 H PHE 83 -6.556 12.340 -1.110 641 HA PHE 83 HA PHE 83 -6.108 13.805 -3.463 642 HD1 PHE 83 HD2 PHE 83 -7.334 16.101 -3.816 643 HD2 PHE 83 HD1 PHE 83 -4.910 16.684 -0.372 644 HE1 PHE 83 HE2 PHE 83 -6.873 18.411 -4.534 645 HE2 PHE 83 HE1 PHE 83 -4.449 18.992 -1.078 646 HZ PHE 83 HZ PHE 83 -5.432 19.860 -3.162 647 HB2 PHE 83 HB2 PHE 83 -7.501 14.666 -1.664 648 HB3 PHE 83 HB3 PHE 83 -6.116 14.723 -0.581 649 H CYS 84 H CYS 84 -4.306 14.312 -4.440 650 HA CYS 84 HA CYS 84 -1.766 14.270 -3.002 651 HG CYS 84 HG CYS 84 -3.020 12.060 -4.546 652 HB2 CYS 84 HB2 CYS 84 -2.209 14.849 -5.934 653 HB3 CYS 84 HB3 CYS 84 -0.732 14.295 -5.153 654 H LEU 85 H LEU 85 -0.448 16.130 -2.815 655 HA LEU 85 HA LEU 85 -1.839 18.587 -2.559 656 HG LEU 85 HG LEU 85 0.623 20.485 -2.897 657 HB2 LEU 85 HB2 LEU 85 0.146 18.023 -1.215 658 HB3 LEU 85 HB3 LEU 85 1.140 18.081 -2.658 659 HD11 LEU 85 HD11 LEU 85 -0.746 20.160 -0.227 660 HD12 LEU 85 HD12 LEU 85 -1.546 20.501 -1.760 661 HD13 LEU 85 HD13 LEU 85 -0.443 21.685 -1.060 662 HD21 LEU 85 HD21 LEU 85 1.779 19.671 -0.233 663 HD22 LEU 85 HD22 LEU 85 1.991 21.242 -1.005 664 HD23 LEU 85 HD23 LEU 85 2.652 19.792 -1.760 665 H GLU 86 H GLU 86 0.911 17.803 -4.647 666 HA GLU 86 HA GLU 86 -0.501 18.862 -6.986 667 HB2 GLU 86 HB2 GLU 86 2.231 19.798 -6.074 668 HB3 GLU 86 HB3 GLU 86 1.620 20.037 -7.707 669 HG2 GLU 86 HG2 GLU 86 -0.247 21.339 -6.789 670 HG3 GLU 86 HG3 GLU 86 0.434 21.139 -5.173 671 H ASP 87 H ASP 87 0.504 16.388 -5.663 672 HA ASP 87 HA ASP 87 2.748 15.504 -7.293 673 HB2 ASP 87 HB2 ASP 87 1.457 14.020 -5.009 674 HB3 ASP 87 HB3 ASP 87 3.110 13.890 -5.599 675 H GLY 88 H GLY 88 0.092 15.697 -8.475 676 HA2 GLY 88 HA2 GLY 88 -1.083 13.068 -8.499 677 HA3 GLY 88 HA3 GLY 88 -1.579 14.443 -9.471 678 H ALA 89 H ALA 89 1.579 12.825 -9.290 679 HA ALA 89 HA ALA 89 1.600 12.581 -12.188 680 HB1 ALA 89 HB1 ALA 89 3.692 11.788 -10.164 681 HB2 ALA 89 HB2 ALA 89 3.619 13.331 -11.013 682 HB3 ALA 89 HB3 ALA 89 3.904 11.842 -11.914 683 H TYR 90 H TYR 90 0.963 10.682 -9.414 684 HA TYR 90 HA TYR 90 0.533 8.342 -11.134 685 HD1 TYR 90 HD1 TYR 90 2.306 5.913 -10.877 686 HD2 TYR 90 HD2 TYR 90 3.654 9.372 -8.806 687 HE1 TYR 90 HE1 TYR 90 4.572 5.556 -11.764 688 HE2 TYR 90 HE2 TYR 90 5.921 9.025 -9.686 689 HH TYR 90 HH TYR 90 6.599 6.721 -12.178 690 HB2 TYR 90 HB2 TYR 90 1.518 8.371 -8.269 691 HB3 TYR 90 HB3 TYR 90 0.961 6.924 -9.099 692 H SER 91 H SER 91 -1.579 8.843 -11.474 693 HA SER 91 HA SER 91 -3.408 9.746 -9.573 694 HG SER 91 HG SER 91 -4.429 10.864 -12.081 695 HB2 SER 91 HB2 SER 91 -3.910 8.185 -12.114 696 HB3 SER 91 HB3 SER 91 -5.129 9.089 -11.215 697 H VAL 92 H VAL 92 -3.592 8.660 -7.712 698 HA VAL 92 HA VAL 92 -4.493 5.863 -7.864 699 HB VAL 92 HB VAL 92 -3.534 5.507 -5.617 700 HG11 VAL 92 HG11 VAL 92 -1.553 6.464 -7.680 701 HG12 VAL 92 HG12 VAL 92 -2.253 4.848 -7.572 702 HG13 VAL 92 HG13 VAL 92 -1.176 5.432 -6.301 703 HG21 VAL 92 HG21 VAL 92 -1.921 7.132 -4.712 704 HG22 VAL 92 HG22 VAL 92 -3.555 7.792 -4.793 705 HG23 VAL 92 HG23 VAL 92 -2.353 8.260 -5.998 706 H ALA 93 H ALA 93 -5.896 5.225 -6.025 707 HA ALA 93 HA ALA 93 -7.414 7.462 -4.895 708 HB1 ALA 93 HB1 ALA 93 -8.596 6.767 -6.926 709 HB2 ALA 93 HB2 ALA 93 -9.535 6.400 -5.480 710 HB3 ALA 93 HB3 ALA 93 -8.668 5.113 -6.319 711 H ALA 94 H ALA 94 -9.121 6.494 -3.292 712 HA ALA 94 HA ALA 94 -7.642 4.607 -1.624 713 HB1 ALA 94 HB1 ALA 94 -8.111 6.774 -0.614 714 HB2 ALA 94 HB2 ALA 94 -9.007 5.499 0.215 715 HB3 ALA 94 HB3 ALA 94 -9.834 6.561 -0.925 716 H TYR 95 H TYR 95 -9.879 4.030 -0.021 717 HA TYR 95 HA TYR 95 -11.890 2.723 -1.601 718 HD1 TYR 95 HD2 TYR 95 -12.251 1.491 -2.974 719 HD2 TYR 95 HD1 TYR 95 -8.604 -0.372 -1.831 720 HE1 TYR 95 HE2 TYR 95 -12.016 0.581 -5.241 721 HE2 TYR 95 HE1 TYR 95 -8.361 -1.295 -4.099 722 HH TYR 95 HH TYR 95 -10.089 -0.216 -6.720 723 HB2 TYR 95 HB2 TYR 95 -9.621 1.196 -0.397 724 HB3 TYR 95 HB3 TYR 95 -11.229 0.496 -0.288 725 H ASP 96 H ASP 96 -13.406 1.505 -0.157 726 HA ASP 96 HA ASP 96 -13.647 2.757 2.459 727 HB2 ASP 96 HB2 ASP 96 -15.407 0.831 0.928 728 HB3 ASP 96 HB3 ASP 96 -15.748 1.325 2.583 729 H THR 97 H THR 97 -12.991 1.810 4.308 730 HA THR 97 HA THR 97 -12.208 -1.039 4.190 731 HB THR 97 HB THR 97 -10.222 -0.512 5.545 732 HG1 THR 97 HG1 THR 97 -11.420 1.667 6.142 733 HG21 THR 97 HG21 THR 97 -8.897 0.639 3.838 734 HG22 THR 97 HG22 THR 97 -10.379 1.186 3.050 735 HG23 THR 97 HG23 THR 97 -9.989 -0.532 3.101 736 H GLN 98 H GLN 98 -12.984 -2.232 5.850 737 HA GLN 98 HA GLN 98 -13.658 -0.806 8.336 738 HB2 GLN 98 HB2 GLN 98 -15.382 -2.516 8.778 739 HB3 GLN 98 HB3 GLN 98 -15.714 -1.567 7.342 740 HG2 GLN 98 HG2 GLN 98 -14.890 -3.411 5.947 741 HG3 GLN 98 HG3 GLN 98 -14.602 -4.364 7.405 742 HE21 GLN 98 HE21 GLN 98 -17.327 -2.219 7.079 743 HE22 GLN 98 HE22 GLN 98 -18.539 -3.444 6.967 744 H VAL 99 H VAL 99 -12.998 -1.670 10.230 745 HA VAL 99 HA VAL 99 -11.091 -3.895 10.004 746 HB VAL 99 HB VAL 99 -11.316 -1.854 12.224 747 HG11 VAL 99 HG11 VAL 99 -9.211 -3.939 11.647 748 HG12 VAL 99 HG12 VAL 99 -10.374 -3.969 12.971 749 HG13 VAL 99 HG13 VAL 99 -9.129 -2.722 12.923 750 HG21 VAL 99 HG21 VAL 99 -9.290 -0.853 11.297 751 HG22 VAL 99 HG22 VAL 99 -10.602 -0.816 10.121 752 HG23 VAL 99 HG23 VAL 99 -9.315 -2.010 9.968 753 H THR 100 H THR 100 -12.471 -5.603 10.171 754 HA THR 100 HA THR 100 -14.402 -5.722 12.303 755 HB THR 100 HB THR 100 -14.528 -8.187 11.310 756 HG1 THR 100 HG1 THR 100 -12.807 -8.036 9.877 757 HG21 THR 100 HG21 THR 100 -15.564 -5.730 9.892 758 HG22 THR 100 HG22 THR 100 -16.336 -6.545 11.252 759 HG23 THR 100 HG23 THR 100 -16.190 -7.368 9.700 760 H ASN 101 H ASN 101 -12.910 -5.524 14.043 761 HA ASN 101 HA ASN 101 -12.141 -6.463 15.958 762 HB2 ASN 101 HB2 ASN 101 -12.600 -9.117 14.584 763 HB3 ASN 101 HB3 ASN 101 -12.240 -8.898 16.293 764 HD21 ASN 101 HD21 ASN 101 -14.575 -10.045 14.874 765 HD22 ASN 101 HD22 ASN 101 -15.952 -9.180 15.475 766 H GLY 102 H GLY 102 -10.888 -8.961 13.798 767 HA2 GLY 102 HA2 GLY 102 -8.178 -7.991 14.450 768 HA3 GLY 102 HA3 GLY 102 -8.600 -9.693 14.534 769 H ASN 103 H ASN 103 -10.193 -8.242 11.960 770 HA ASN 103 HA ASN 103 -7.963 -8.669 10.112 771 HB2 ASN 103 HB2 ASN 103 -9.432 -9.931 8.549 772 HB3 ASN 103 HB3 ASN 103 -9.113 -10.794 10.046 773 HD21 ASN 103 HD21 ASN 103 -10.765 -11.238 11.430 774 HD22 ASN 103 HD22 ASN 103 -12.427 -10.955 11.044 775 H VAL 104 H VAL 104 -8.212 -7.627 8.071 776 HA VAL 104 HA VAL 104 -10.025 -5.311 8.253 777 HB VAL 104 HB VAL 104 -7.480 -5.577 6.640 778 HG11 VAL 104 HG11 VAL 104 -9.073 -3.998 5.675 779 HG12 VAL 104 HG12 VAL 104 -7.669 -3.162 6.335 780 HG13 VAL 104 HG13 VAL 104 -9.191 -3.164 7.224 781 HG21 VAL 104 HG21 VAL 104 -6.988 -5.595 9.016 782 HG22 VAL 104 HG22 VAL 104 -7.970 -4.148 9.248 783 HG23 VAL 104 HG23 VAL 104 -6.489 -4.065 8.295 784 H GLN 105 H GLN 105 -11.533 -4.996 6.730 785 HA GLN 105 HA GLN 105 -11.341 -6.531 4.222 786 HB2 GLN 105 HB2 GLN 105 -13.892 -5.994 5.767 787 HB3 GLN 105 HB3 GLN 105 -13.749 -6.903 4.267 788 HG2 GLN 105 HG2 GLN 105 -12.380 -8.575 5.429 789 HG3 GLN 105 HG3 GLN 105 -12.580 -7.674 6.931 790 HE21 GLN 105 HE21 GLN 105 -13.590 -9.329 7.992 791 HE22 GLN 105 HE22 GLN 105 -15.198 -9.848 7.613 792 H ILE 106 H ILE 106 -11.523 -5.303 2.432 793 HA ILE 106 HA ILE 106 -12.551 -2.570 2.762 794 HB ILE 106 HB ILE 106 -10.970 -1.681 1.307 795 HG12 ILE 106 HG12 ILE 106 -11.228 -3.470 -0.455 796 HG13 ILE 106 HG13 ILE 106 -9.591 -2.859 -0.251 797 HG21 ILE 106 HG21 ILE 106 -8.776 -2.425 2.123 798 HG22 ILE 106 HG22 ILE 106 -9.534 -3.860 2.813 799 HG23 ILE 106 HG23 ILE 106 -9.955 -2.260 3.424 800 HD11 ILE 106 HD11 ILE 106 -9.053 -4.850 1.087 801 HD12 ILE 106 HD12 ILE 106 -9.565 -5.243 -0.554 802 HD13 ILE 106 HD13 ILE 106 -10.681 -5.459 0.793 803 H SER 107 H SER 107 -13.585 -1.616 0.933 804 HA SER 107 HA SER 107 -15.030 -3.596 -0.671 805 HG SER 107 HG SER 107 -17.118 -2.850 -1.291 806 HB2 SER 107 HB2 SER 107 -16.274 -1.867 0.694 807 HB3 SER 107 HB3 SER 107 -15.601 -0.635 -0.374 808 H ILE 108 H ILE 108 -13.989 -4.049 -2.522 809 HA ILE 108 HA ILE 108 -12.294 -2.100 -3.803 810 HB ILE 108 HB ILE 108 -11.935 -3.884 -5.525 811 HG12 ILE 108 HG12 ILE 108 -13.622 -5.552 -3.641 812 HG13 ILE 108 HG13 ILE 108 -14.114 -5.025 -5.248 813 HG21 ILE 108 HG21 ILE 108 -10.433 -3.616 -3.632 814 HG22 ILE 108 HG22 ILE 108 -10.604 -5.320 -4.056 815 HG23 ILE 108 HG23 ILE 108 -11.453 -4.670 -2.654 816 HD11 ILE 108 HD11 ILE 108 -11.826 -6.867 -4.602 817 HD12 ILE 108 HD12 ILE 108 -12.279 -6.323 -6.217 818 HD13 ILE 108 HD13 ILE 108 -13.386 -7.328 -5.283 819 H ALA 109 H ALA 109 -12.607 -1.112 -5.756 820 HA ALA 109 HA ALA 109 -15.314 -1.296 -6.880 821 HB1 ALA 109 HB1 ALA 109 -15.333 1.123 -7.180 822 HB2 ALA 109 HB2 ALA 109 -13.732 1.236 -6.448 823 HB3 ALA 109 HB3 ALA 109 -15.108 0.708 -5.480 824 H ASP 110 H ASP 110 -12.657 -2.410 -7.645 825 HA ASP 110 HA ASP 110 -12.817 -1.866 -10.446 826 HB2 ASP 110 HB2 ASP 110 -11.345 0.009 -9.256 827 HB3 ASP 110 HB3 ASP 110 -10.108 -1.241 -9.355 828 H SER 111 H SER 111 -10.655 -2.932 -11.462 829 HA SER 111 HA SER 111 -10.009 -5.372 -9.964 830 HG SER 111 HG SER 111 -12.290 -5.947 -10.488 831 HB2 SER 111 HB2 SER 111 -10.862 -5.380 -12.867 832 HB3 SER 111 HB3 SER 111 -10.474 -6.784 -11.871 833 H ASP 112 H ASP 112 -8.980 -2.723 -11.548 834 HA ASP 112 HA ASP 112 -7.089 -1.987 -12.522 835 HB2 ASP 112 HB2 ASP 112 -5.888 -2.872 -10.624 836 HB3 ASP 112 HB3 ASP 112 -5.906 -4.494 -11.314 837 H VAL 113 H VAL 113 -7.729 -2.046 -14.616 838 HA VAL 113 HA VAL 113 -6.990 -4.425 -16.179 839 HB VAL 113 HB VAL 113 -8.404 -1.972 -17.196 840 HG11 VAL 113 HG11 VAL 113 -8.168 -4.767 -18.293 841 HG12 VAL 113 HG12 VAL 113 -7.371 -3.323 -18.917 842 HG13 VAL 113 HG13 VAL 113 -9.126 -3.470 -19.009 843 HG21 VAL 113 HG21 VAL 113 -10.508 -3.231 -16.981 844 HG22 VAL 113 HG22 VAL 113 -9.756 -2.933 -15.413 845 HG23 VAL 113 HG23 VAL 113 -9.634 -4.525 -16.161 846 H ALA 114 H ALA 114 -4.995 -4.406 -16.899 847 HA ALA 114 HA ALA 114 -3.867 -1.943 -18.011 848 HB1 ALA 114 HB1 ALA 114 -1.722 -2.368 -16.900 849 HB2 ALA 114 HB2 ALA 114 -2.443 -3.728 -16.039 850 HB3 ALA 114 HB3 ALA 114 -3.015 -2.088 -15.734 851 H VAL 115 H VAL 115 -2.065 -2.336 -19.453 852 HA VAL 115 HA VAL 115 -2.390 -4.813 -20.918 853 HB VAL 115 HB VAL 115 -0.809 -3.819 -22.550 854 HG11 VAL 115 HG11 VAL 115 -2.289 -2.019 -23.314 855 HG12 VAL 115 HG12 VAL 115 -3.107 -2.041 -21.752 856 HG13 VAL 115 HG13 VAL 115 -3.188 -3.450 -22.811 857 HG21 VAL 115 HG21 VAL 115 -0.856 -1.409 -20.733 858 HG22 VAL 115 HG22 VAL 115 -0.096 -1.504 -22.322 859 HG23 VAL 115 HG23 VAL 115 0.526 -2.476 -20.987 860 H ASP 116 H ASP 116 -0.852 -6.388 -21.176 861 HA ASP 116 HA ASP 116 0.942 -6.707 -18.975 862 HB2 ASP 116 HB2 ASP 116 1.464 -8.871 -19.905 863 HB3 ASP 116 HB3 ASP 116 -0.269 -8.611 -20.042 864 H ASN 117 H ASN 117 3.182 -6.735 -18.960 865 HA ASN 117 HA ASN 117 4.476 -5.387 -21.174 866 HB2 ASN 117 HB2 ASN 117 6.528 -5.498 -19.764 867 HB3 ASN 117 HB3 ASN 117 5.182 -4.685 -18.982 868 HD21 ASN 117 HD21 ASN 117 7.422 -7.248 -18.825 869 HD22 ASN 117 HD22 ASN 117 6.891 -7.925 -17.323 870 H SER 118 H SER 118 4.457 -6.701 -22.857 871 HA SER 118 HA SER 118 4.720 -9.492 -22.769 872 HG SER 118 HG SER 118 2.894 -8.382 -23.720 873 HB2 SER 118 HB2 SER 118 5.170 -7.650 -25.124 874 HB3 SER 118 HB3 SER 118 4.771 -9.367 -25.192 875 H GLN 119 H GLN 119 7.083 -6.981 -22.839 876 HA GLN 119 HA GLN 119 9.157 -9.063 -22.990 877 HB2 GLN 119 HB2 GLN 119 9.310 -7.605 -24.945 878 HB3 GLN 119 HB3 GLN 119 9.371 -6.189 -23.904 879 HG2 GLN 119 HG2 GLN 119 11.507 -6.811 -23.054 880 HG3 GLN 119 HG3 GLN 119 11.431 -8.381 -23.859 881 HE21 GLN 119 HE21 GLN 119 11.808 -8.517 -26.042 882 HE22 GLN 119 HE22 GLN 119 12.504 -7.216 -26.958 883 HA PRO 120 HA PRO 120 9.603 -7.320 -18.808 884 HB2 PRO 120 HB2 PRO 120 10.420 -9.988 -18.050 885 HB3 PRO 120 HB3 PRO 120 8.987 -9.091 -17.545 886 HG2 PRO 120 HG2 PRO 120 8.907 -11.316 -19.130 887 HG3 PRO 120 HG3 PRO 120 7.674 -10.042 -19.155 888 HD2 PRO 120 HD2 PRO 120 9.970 -10.500 -21.024 889 HD3 PRO 120 HD3 PRO 120 8.299 -10.009 -21.389 890 H LEU 121 H LEU 121 11.510 -7.332 -17.375 891 HA LEU 121 HA LEU 121 13.978 -7.588 -18.936 892 HG LEU 121 HG LEU 121 12.527 -4.905 -18.172 893 HB2 LEU 121 HB2 LEU 121 13.433 -6.196 -16.311 894 HB3 LEU 121 HB3 LEU 121 15.000 -6.263 -17.096 895 HD11 LEU 121 HD11 LEU 121 13.841 -2.860 -17.867 896 HD12 LEU 121 HD12 LEU 121 15.134 -3.809 -17.135 897 HD13 LEU 121 HD13 LEU 121 13.565 -3.698 -16.340 898 HD21 LEU 121 HD21 LEU 121 13.885 -5.888 -19.964 899 HD22 LEU 121 HD22 LEU 121 15.307 -5.056 -19.334 900 HD23 LEU 121 HD23 LEU 121 13.955 -4.125 -19.981 901 HA PRO 122 HA PRO 122 15.142 -11.324 -16.881 902 HB2 PRO 122 HB2 PRO 122 17.910 -10.304 -17.175 903 HB3 PRO 122 HB3 PRO 122 17.200 -11.816 -17.748 904 HG2 PRO 122 HG2 PRO 122 17.753 -9.838 -19.450 905 HG3 PRO 122 HG3 PRO 122 16.294 -10.829 -19.641 906 HD2 PRO 122 HD2 PRO 122 16.578 -8.064 -18.534 907 HD3 PRO 122 HD3 PRO 122 15.312 -8.734 -19.584 908 H LEU 123 H LEU 123 14.753 -11.410 -14.769 909 HA LEU 123 HA LEU 123 15.835 -9.481 -12.935 910 HG LEU 123 HG LEU 123 13.980 -12.585 -13.574 911 HB2 LEU 123 HB2 LEU 123 14.683 -10.883 -11.207 912 HB3 LEU 123 HB3 LEU 123 13.646 -10.250 -12.467 913 HD11 LEU 123 HD11 LEU 123 14.250 -14.393 -11.930 914 HD12 LEU 123 HD12 LEU 123 14.675 -13.195 -10.707 915 HD13 LEU 123 HD13 LEU 123 15.711 -13.422 -12.117 916 HD21 LEU 123 HD21 LEU 123 12.054 -13.445 -12.340 917 HD22 LEU 123 HD22 LEU 123 11.862 -11.737 -12.736 918 HD23 LEU 123 HD23 LEU 123 12.304 -12.219 -11.097 919 H GLU 124 H GLU 124 17.016 -12.280 -14.305 920 HA GLU 124 HA GLU 124 18.460 -13.328 -12.061 921 HB2 GLU 124 HB2 GLU 124 18.746 -13.869 -15.019 922 HB3 GLU 124 HB3 GLU 124 19.523 -14.792 -13.741 923 HG2 GLU 124 HG2 GLU 124 17.443 -15.631 -12.972 924 HG3 GLU 124 HG3 GLU 124 16.544 -14.521 -14.009 925 H HIS 125 H HIS 125 20.402 -12.713 -11.339 926 HA HIS 125 HA HIS 125 22.119 -11.003 -12.959 927 HD1 HIS 125 HD1 HIS 125 25.203 -12.528 -10.675 928 HD2 HIS 125 HD2 HIS 125 23.751 -8.662 -11.204 929 HE1 HIS 125 HE1 HIS 125 27.233 -11.045 -10.766 930 HE2 HIS 125 HE2 HIS 125 26.324 -8.701 -10.894 931 HB2 HIS 125 HB2 HIS 125 21.954 -10.684 -10.473 932 HB3 HIS 125 HB3 HIS 125 22.660 -12.279 -10.257 933 H HIS 126 H HIS 126 23.024 -12.086 -14.629 934 HA HIS 126 HA HIS 126 23.193 -14.939 -14.553 935 HD1 HIS 126 HD1 HIS 126 21.659 -15.048 -17.986 936 HD2 HIS 126 HD2 HIS 126 25.502 -16.144 -16.827 937 HE1 HIS 126 HE1 HIS 126 22.097 -17.266 -19.091 938 HE2 HIS 126 HE2 HIS 126 24.345 -17.996 -18.211 939 HB2 HIS 126 HB2 HIS 126 22.692 -13.343 -16.562 940 HB3 HIS 126 HB3 HIS 126 24.444 -13.280 -16.717 941 H HIS 127 H HIS 127 25.779 -12.758 -15.648 942 HA HIS 127 HA HIS 127 27.693 -13.724 -13.770 943 HD1 HIS 127 HD1 HIS 127 30.604 -14.932 -16.725 944 HD2 HIS 127 HD2 HIS 127 29.062 -16.173 -13.066 945 HE1 HIS 127 HE1 HIS 127 32.547 -15.918 -15.467 946 HE2 HIS 127 HE2 HIS 127 31.535 -16.868 -13.357 947 HB2 HIS 127 HB2 HIS 127 27.328 -15.682 -15.414 948 HB3 HIS 127 HB3 HIS 127 28.131 -14.668 -16.606 949 H HIS 128 H HIS 128 29.552 -12.487 -13.828 950 HA HIS 128 HA HIS 128 29.427 -10.007 -15.196 951 HD1 HIS 128 HD1 HIS 128 33.473 -8.957 -14.046 952 HD2 HIS 128 HD2 HIS 128 29.453 -8.078 -13.411 953 HE1 HIS 128 HE1 HIS 128 33.380 -6.489 -13.600 954 HE2 HIS 128 HE2 HIS 128 30.973 -6.018 -13.033 955 HB2 HIS 128 HB2 HIS 128 30.743 -10.872 -13.007 956 HB3 HIS 128 HB3 HIS 128 32.046 -10.982 -14.181 957 H HIS 129 H HIS 129 30.232 -9.408 -17.134 958 HA HIS 129 HA HIS 129 31.100 -11.435 -18.944 959 HD1 HIS 129 HD1 HIS 129 29.527 -9.027 -22.083 960 HD2 HIS 129 HD2 HIS 129 28.337 -10.526 -18.388 961 HE1 HIS 129 HE1 HIS 129 27.113 -9.679 -22.356 962 HE2 HIS 129 HE2 HIS 129 26.470 -10.750 -20.166 963 HB2 HIS 129 HB2 HIS 129 30.853 -8.438 -19.185 964 HB3 HIS 129 HB3 HIS 129 31.472 -9.437 -20.497 965 H HIS 130 H HIS 130 32.681 -8.631 -17.466 966 HA HIS 130 HA HIS 130 35.039 -10.216 -17.105 967 HD1 HIS 130 HD1 HIS 130 33.965 -7.805 -20.617 968 HD2 HIS 130 HD2 HIS 130 36.355 -5.864 -17.814 969 HE1 HIS 130 HE1 HIS 130 33.721 -5.345 -21.098 970 HE2 HIS 130 HE2 HIS 130 35.206 -4.188 -19.419 971 HB2 HIS 130 HB2 HIS 130 36.622 -8.644 -18.151 972 HB3 HIS 130 HB3 HIS 130 35.547 -9.369 -19.335 Start of MODEL 13 1 HA MET 1 HA MET 1 -18.214 -11.540 3.980 2 H1 MET 1 H1 MET 1 -15.894 -11.393 3.615 3 H2 MET 1 H2 MET 1 -16.091 -10.315 2.323 4 H3 MET 1 H3 MET 1 -16.618 -11.917 2.172 5 HB2 MET 1 HB2 MET 1 -16.884 -9.617 4.920 6 HB3 MET 1 HB3 MET 1 -17.472 -8.635 3.589 7 HG2 MET 1 HG2 MET 1 -19.759 -8.931 4.361 8 HG3 MET 1 HG3 MET 1 -19.187 -9.949 5.684 9 HE1 MET 1 HE1 MET 1 -20.232 -6.729 7.618 10 HE2 MET 1 HE2 MET 1 -20.401 -8.480 7.489 11 HE3 MET 1 HE3 MET 1 -21.050 -7.436 6.225 12 H SER 2 H SER 2 -18.219 -8.611 2.018 13 HA SER 2 HA SER 2 -20.128 -9.868 0.170 14 HG SER 2 HG SER 2 -20.960 -6.411 2.141 15 HB2 SER 2 HB2 SER 2 -21.290 -7.596 0.131 16 HB3 SER 2 HB3 SER 2 -21.492 -8.535 1.611 17 H GLN 3 H GLN 3 -19.113 -6.506 0.213 18 HA GLN 3 HA GLN 3 -17.277 -7.036 -2.015 19 HB2 GLN 3 HB2 GLN 3 -18.700 -4.530 -1.134 20 HB3 GLN 3 HB3 GLN 3 -17.303 -4.460 -2.202 21 HG2 GLN 3 HG2 GLN 3 -19.851 -5.964 -2.764 22 HG3 GLN 3 HG3 GLN 3 -19.418 -4.390 -3.431 23 HE21 GLN 3 HE21 GLN 3 -17.867 -4.256 -5.028 24 HE22 GLN 3 HE22 GLN 3 -17.271 -5.646 -5.869 25 H TRP 4 H TRP 4 -17.430 -6.757 1.169 26 HA TRP 4 HA TRP 4 -14.885 -5.452 1.634 27 HD1 TRP 4 HD1 TRP 4 -18.935 -5.774 3.244 28 HE1 TRP 4 HE1 TRP 4 -19.726 -3.359 3.676 29 HE3 TRP 4 HE3 TRP 4 -14.380 -3.528 3.832 30 HZ2 TRP 4 HZ2 TRP 4 -18.569 -0.841 4.189 31 HZ3 TRP 4 HZ3 TRP 4 -14.313 -1.110 4.293 32 HH2 TRP 4 HH2 TRP 4 -16.366 0.203 4.468 33 HB2 TRP 4 HB2 TRP 4 -16.650 -7.001 3.549 34 HB3 TRP 4 HB3 TRP 4 -15.248 -6.038 3.990 35 H THR 5 H THR 5 -13.135 -6.564 1.044 36 HA THR 5 HA THR 5 -13.080 -9.463 1.476 37 HB THR 5 HB THR 5 -11.035 -7.781 0.016 38 HG1 THR 5 HG1 THR 5 -12.460 -9.208 -1.695 39 HG21 THR 5 HG21 THR 5 -11.618 -10.747 -0.032 40 HG22 THR 5 HG22 THR 5 -10.244 -9.978 0.763 41 HG23 THR 5 HG23 THR 5 -10.394 -9.921 -0.994 42 H THR 6 H THR 6 -11.639 -10.409 2.886 43 HA THR 6 HA THR 6 -10.794 -8.664 5.016 44 HB THR 6 HB THR 6 -10.410 -11.652 4.851 45 HG1 THR 6 HG1 THR 6 -12.715 -10.145 5.056 46 HG21 THR 6 HG21 THR 6 -9.233 -10.521 6.679 47 HG22 THR 6 HG22 THR 6 -10.562 -11.505 7.301 48 HG23 THR 6 HG23 THR 6 -10.737 -9.754 7.180 49 H VAL 7 H VAL 7 -8.835 -7.870 5.315 50 HA VAL 7 HA VAL 7 -6.588 -8.647 3.673 51 HB VAL 7 HB VAL 7 -6.547 -6.789 6.061 52 HG11 VAL 7 HG11 VAL 7 -4.810 -6.956 3.601 53 HG12 VAL 7 HG12 VAL 7 -4.351 -7.409 5.242 54 HG13 VAL 7 HG13 VAL 7 -4.687 -5.722 4.855 55 HG21 VAL 7 HG21 VAL 7 -7.225 -6.124 3.202 56 HG22 VAL 7 HG22 VAL 7 -6.955 -4.950 4.490 57 HG23 VAL 7 HG23 VAL 7 -8.322 -6.061 4.581 58 H CYS 8 H CYS 8 -8.009 -9.840 6.384 59 HA CYS 8 HA CYS 8 -7.554 -11.883 7.293 60 HG CYS 8 HG CYS 8 -6.934 -11.890 4.375 61 HB2 CYS 8 HB2 CYS 8 -4.680 -11.482 6.444 62 HB3 CYS 8 HB3 CYS 8 -5.357 -12.949 7.140 63 H LYS 9 H LYS 9 -4.790 -9.663 7.892 64 HA LYS 9 HA LYS 9 -5.592 -9.622 10.700 65 HB2 LYS 9 HB2 LYS 9 -2.856 -10.494 9.766 66 HB3 LYS 9 HB3 LYS 9 -3.207 -9.991 11.409 67 HG2 LYS 9 HG2 LYS 9 -4.866 -11.858 11.537 68 HG3 LYS 9 HG3 LYS 9 -4.269 -12.406 9.966 69 HD2 LYS 9 HD2 LYS 9 -2.653 -12.104 12.500 70 HD3 LYS 9 HD3 LYS 9 -3.149 -13.621 11.746 71 HE2 LYS 9 HE2 LYS 9 -1.753 -13.239 9.862 72 HE3 LYS 9 HE3 LYS 9 -1.445 -11.572 10.346 73 HZ1 LYS 9 HZ1 LYS 9 -0.533 -14.000 11.803 74 HZ2 LYS 9 HZ2 LYS 9 -0.232 -12.393 12.274 75 HZ3 LYS 9 HZ3 LYS 9 0.434 -12.996 10.834 76 H LEU 10 H LEU 10 -5.097 -7.783 11.755 77 HA LEU 10 HA LEU 10 -3.647 -5.645 10.431 78 HG LEU 10 HG LEU 10 -2.908 -4.239 13.076 79 HB2 LEU 10 HB2 LEU 10 -5.539 -5.083 11.876 80 HB3 LEU 10 HB3 LEU 10 -4.796 -5.928 13.221 81 HD11 LEU 10 HD11 LEU 10 -4.910 -2.809 11.339 82 HD12 LEU 10 HD12 LEU 10 -3.342 -3.435 10.827 83 HD13 LEU 10 HD13 LEU 10 -3.428 -2.114 11.991 84 HD21 LEU 10 HD21 LEU 10 -4.159 -2.540 14.309 85 HD22 LEU 10 HD22 LEU 10 -4.612 -4.169 14.813 86 HD23 LEU 10 HD23 LEU 10 -5.674 -3.246 13.748 87 H ASP 11 H ASP 11 -3.191 -8.226 12.600 88 HA ASP 11 HA ASP 11 -0.902 -7.497 14.026 89 HB2 ASP 11 HB2 ASP 11 -2.058 -9.371 14.827 90 HB3 ASP 11 HB3 ASP 11 -2.145 -10.114 13.233 91 H ASP 12 H ASP 12 -1.313 -8.978 10.875 92 HA ASP 12 HA ASP 12 1.475 -9.592 10.571 93 HB2 ASP 12 HB2 ASP 12 -0.760 -10.605 9.445 94 HB3 ASP 12 HB3 ASP 12 -0.270 -9.484 8.177 95 H ILE 13 H ILE 13 -0.367 -6.813 10.336 96 HA ILE 13 HA ILE 13 1.331 -5.595 8.280 97 HB ILE 13 HB ILE 13 -0.926 -4.292 9.813 98 HG12 ILE 13 HG12 ILE 13 -1.017 -5.592 7.078 99 HG13 ILE 13 HG13 ILE 13 -1.693 -6.294 8.544 100 HG21 ILE 13 HG21 ILE 13 0.467 -3.572 7.233 101 HG22 ILE 13 HG22 ILE 13 0.621 -2.735 8.777 102 HG23 ILE 13 HG23 ILE 13 -0.918 -2.719 7.919 103 HD11 ILE 13 HD11 ILE 13 -3.227 -4.397 8.734 104 HD12 ILE 13 HD12 ILE 13 -3.425 -5.266 7.213 105 HD13 ILE 13 HD13 ILE 13 -2.566 -3.725 7.244 106 H LEU 14 H LEU 14 3.209 -4.787 8.933 107 HA LEU 14 HA LEU 14 3.837 -4.334 11.657 108 HG LEU 14 HG LEU 14 5.119 -5.945 9.266 109 HB2 LEU 14 HB2 LEU 14 5.321 -3.500 9.168 110 HB3 LEU 14 HB3 LEU 14 5.973 -3.485 10.791 111 HD11 LEU 14 HD11 LEU 14 7.849 -4.872 9.974 112 HD12 LEU 14 HD12 LEU 14 7.149 -4.989 8.360 113 HD13 LEU 14 HD13 LEU 14 7.531 -6.454 9.264 114 HD21 LEU 14 HD21 LEU 14 6.460 -5.704 11.959 115 HD22 LEU 14 HD22 LEU 14 6.068 -7.201 11.114 116 HD23 LEU 14 HD23 LEU 14 4.775 -6.152 11.692 117 HA PRO 15 HA PRO 15 2.451 -0.139 12.120 118 HB2 PRO 15 HB2 PRO 15 4.461 0.108 14.250 119 HB3 PRO 15 HB3 PRO 15 2.701 0.185 14.358 120 HG2 PRO 15 HG2 PRO 15 4.094 -1.903 15.324 121 HG3 PRO 15 HG3 PRO 15 2.482 -2.097 14.608 122 HD2 PRO 15 HD2 PRO 15 5.174 -2.638 13.399 123 HD3 PRO 15 HD3 PRO 15 3.682 -3.599 13.298 124 H GLY 16 H GLY 16 3.011 1.594 11.007 125 HA2 GLY 16 HA2 GLY 16 4.354 3.387 10.356 126 HA3 GLY 16 HA3 GLY 16 5.753 2.557 11.018 127 H THR 17 H THR 17 3.469 1.065 8.774 128 HA THR 17 HA THR 17 5.207 1.399 6.503 129 HB THR 17 HB THR 17 5.304 -1.323 6.491 130 HG1 THR 17 HG1 THR 17 4.567 -1.158 8.794 131 HG21 THR 17 HG21 THR 17 7.384 0.551 7.626 132 HG22 THR 17 HG22 THR 17 7.158 0.151 5.923 133 HG23 THR 17 HG23 THR 17 7.688 -1.090 7.058 134 H GLY 18 H GLY 18 4.491 -0.119 4.672 135 HA2 GLY 18 HA2 GLY 18 1.874 -1.284 4.873 136 HA3 GLY 18 HA3 GLY 18 1.882 0.226 3.972 137 H VAL 19 H VAL 19 1.537 -2.755 3.274 138 HA VAL 19 HA VAL 19 3.311 -2.666 0.938 139 HB VAL 19 HB VAL 19 3.557 -5.133 1.019 140 HG11 VAL 19 HG11 VAL 19 5.227 -5.196 2.817 141 HG12 VAL 19 HG12 VAL 19 4.600 -3.672 3.443 142 HG13 VAL 19 HG13 VAL 19 5.351 -3.727 1.848 143 HG21 VAL 19 HG21 VAL 19 2.291 -4.854 3.742 144 HG22 VAL 19 HG22 VAL 19 3.085 -6.309 3.136 145 HG23 VAL 19 HG23 VAL 19 1.625 -5.707 2.352 146 H CYS 20 H CYS 20 2.567 -4.234 -0.799 147 HA CYS 20 HA CYS 20 -0.198 -3.669 -1.303 148 HG CYS 20 HG CYS 20 2.782 -6.361 -2.888 149 HB2 CYS 20 HB2 CYS 20 0.434 -5.176 -3.394 150 HB3 CYS 20 HB3 CYS 20 0.972 -3.505 -3.265 151 H ALA 21 H ALA 21 -1.694 -4.817 -0.314 152 HA ALA 21 HA ALA 21 -1.407 -7.594 0.323 153 HB1 ALA 21 HB1 ALA 21 -2.821 -6.117 1.671 154 HB2 ALA 21 HB2 ALA 21 -3.749 -7.463 1.008 155 HB3 ALA 21 HB3 ALA 21 -3.881 -5.860 0.284 156 H LEU 22 H LEU 22 -1.258 -9.006 -1.291 157 HA LEU 22 HA LEU 22 -2.544 -8.540 -3.824 158 HG LEU 22 HG LEU 22 -0.396 -11.164 -5.305 159 HB2 LEU 22 HB2 LEU 22 -0.303 -9.647 -3.546 160 HB3 LEU 22 HB3 LEU 22 -1.122 -11.028 -2.851 161 HD11 LEU 22 HD11 LEU 22 -3.272 -11.752 -4.615 162 HD12 LEU 22 HD12 LEU 22 -1.889 -12.792 -4.276 163 HD13 LEU 22 HD13 LEU 22 -2.356 -12.463 -5.944 164 HD21 LEU 22 HD21 LEU 22 -1.976 -10.248 -6.932 165 HD22 LEU 22 HD22 LEU 22 -1.181 -8.974 -6.005 166 HD23 LEU 22 HD23 LEU 22 -2.842 -9.432 -5.630 167 H VAL 23 H VAL 23 -4.670 -8.707 -3.862 168 HA VAL 23 HA VAL 23 -5.880 -11.143 -2.724 169 HB VAL 23 HB VAL 23 -7.237 -8.468 -3.125 170 HG11 VAL 23 HG11 VAL 23 -8.771 -10.336 -3.364 171 HG12 VAL 23 HG12 VAL 23 -9.078 -9.494 -1.845 172 HG13 VAL 23 HG13 VAL 23 -8.204 -11.025 -1.844 173 HG21 VAL 23 HG21 VAL 23 -5.624 -8.359 -1.298 174 HG22 VAL 23 HG22 VAL 23 -6.328 -9.806 -0.575 175 HG23 VAL 23 HG23 VAL 23 -7.275 -8.321 -0.676 176 H GLU 24 H GLU 24 -5.668 -12.357 -4.555 177 HA GLU 24 HA GLU 24 -6.276 -13.282 -6.522 178 HB2 GLU 24 HB2 GLU 24 -8.619 -11.393 -6.272 179 HB3 GLU 24 HB3 GLU 24 -8.503 -12.685 -7.459 180 HG2 GLU 24 HG2 GLU 24 -8.529 -13.028 -4.467 181 HG3 GLU 24 HG3 GLU 24 -9.869 -13.353 -5.566 182 H GLN 25 H GLN 25 -7.641 -10.140 -7.330 183 HA GLN 25 HA GLN 25 -5.667 -9.946 -9.512 184 HB2 GLN 25 HB2 GLN 25 -7.426 -8.912 -10.873 185 HB3 GLN 25 HB3 GLN 25 -7.910 -10.516 -10.338 186 HG2 GLN 25 HG2 GLN 25 -9.265 -9.526 -8.572 187 HG3 GLN 25 HG3 GLN 25 -8.783 -7.916 -9.101 188 HE21 GLN 25 HE21 GLN 25 -9.572 -7.121 -11.071 189 HE22 GLN 25 HE22 GLN 25 -10.977 -7.802 -11.819 190 H GLN 26 H GLN 26 -6.525 -8.607 -6.657 191 HA GLN 26 HA GLN 26 -6.151 -5.833 -7.579 192 HB2 GLN 26 HB2 GLN 26 -8.260 -6.612 -6.244 193 HB3 GLN 26 HB3 GLN 26 -7.185 -6.543 -4.854 194 HG2 GLN 26 HG2 GLN 26 -8.099 -4.451 -4.803 195 HG3 GLN 26 HG3 GLN 26 -6.647 -4.155 -5.759 196 HE21 GLN 26 HE21 GLN 26 -6.865 -3.920 -8.042 197 HE22 GLN 26 HE22 GLN 26 -8.379 -3.493 -8.763 198 H GLN 27 H GLN 27 -4.514 -4.623 -6.806 199 HA GLN 27 HA GLN 27 -2.979 -5.639 -4.516 200 HB2 GLN 27 HB2 GLN 27 -1.874 -4.337 -7.013 201 HB3 GLN 27 HB3 GLN 27 -0.940 -4.618 -5.552 202 HG2 GLN 27 HG2 GLN 27 -1.368 -7.045 -5.815 203 HG3 GLN 27 HG3 GLN 27 -2.153 -6.692 -7.355 204 HE21 GLN 27 HE21 GLN 27 0.863 -6.814 -5.637 205 HE22 GLN 27 HE22 GLN 27 1.889 -6.662 -7.018 206 H ILE 28 H ILE 28 -3.366 -4.274 -2.899 207 HA ILE 28 HA ILE 28 -3.072 -1.402 -3.439 208 HB ILE 28 HB ILE 28 -4.774 -1.214 -1.417 209 HG12 ILE 28 HG12 ILE 28 -6.706 -2.832 -1.959 210 HG13 ILE 28 HG13 ILE 28 -5.479 -3.825 -2.733 211 HG21 ILE 28 HG21 ILE 28 -6.551 -0.766 -3.048 212 HG22 ILE 28 HG22 ILE 28 -5.596 -1.577 -4.289 213 HG23 ILE 28 HG23 ILE 28 -5.000 -0.091 -3.550 214 HD11 ILE 28 HD11 ILE 28 -5.945 -4.575 -0.472 215 HD12 ILE 28 HD12 ILE 28 -5.503 -2.987 0.157 216 HD13 ILE 28 HD13 ILE 28 -4.284 -3.999 -0.618 217 H ALA 29 H ALA 29 -2.076 -0.217 -1.875 218 HA ALA 29 HA ALA 29 -0.382 -1.768 -0.099 219 HB1 ALA 29 HB1 ALA 29 0.644 -0.040 -1.469 220 HB2 ALA 29 HB2 ALA 29 0.805 0.354 0.243 221 HB3 ALA 29 HB3 ALA 29 -0.403 1.178 -0.742 222 H VAL 30 H VAL 30 -0.866 -2.078 1.966 223 HA VAL 30 HA VAL 30 -2.989 -0.411 3.141 224 HB VAL 30 HB VAL 30 -1.943 -3.060 4.160 225 HG11 VAL 30 HG11 VAL 30 -4.408 -1.483 4.880 226 HG12 VAL 30 HG12 VAL 30 -2.976 -1.699 5.888 227 HG13 VAL 30 HG13 VAL 30 -3.997 -3.083 5.495 228 HG21 VAL 30 HG21 VAL 30 -4.410 -2.489 2.521 229 HG22 VAL 30 HG22 VAL 30 -3.993 -4.043 3.240 230 HG23 VAL 30 HG23 VAL 30 -2.976 -3.356 1.973 231 H PHE 31 H PHE 31 -2.019 1.318 3.977 232 HA PHE 31 HA PHE 31 0.456 1.275 5.400 233 HD1 PHE 31 HD2 PHE 31 -1.369 3.037 2.658 234 HD2 PHE 31 HD1 PHE 31 1.680 4.308 5.340 235 HE1 PHE 31 HE2 PHE 31 -0.097 3.966 0.772 236 HE2 PHE 31 HE1 PHE 31 2.955 5.244 3.458 237 HZ PHE 31 HZ PHE 31 2.066 5.072 1.171 238 HB2 PHE 31 HB2 PHE 31 -1.747 3.309 5.116 239 HB3 PHE 31 HB3 PHE 31 -0.373 3.583 6.175 240 H ARG 32 H ARG 32 0.816 0.816 7.505 241 HA ARG 32 HA ARG 32 -1.408 1.328 9.346 242 HE ARG 32 HE ARG 32 -1.274 -0.988 13.729 243 HB2 ARG 32 HB2 ARG 32 -0.725 -1.074 9.332 244 HB3 ARG 32 HB3 ARG 32 0.878 -0.573 9.856 245 HG2 ARG 32 HG2 ARG 32 -0.113 0.392 11.898 246 HG3 ARG 32 HG3 ARG 32 -1.696 -0.189 11.378 247 HD2 ARG 32 HD2 ARG 32 -0.847 -2.493 11.412 248 HD3 ARG 32 HD3 ARG 32 0.719 -1.896 11.961 249 HH11 ARG 32 HH11 ARG 32 0.369 -3.940 12.777 250 HH12 ARG 32 HH12 ARG 32 0.108 -4.729 14.307 251 HH21 ARG 32 HH21 ARG 32 -1.608 -2.031 15.751 252 HH22 ARG 32 HH22 ARG 32 -1.023 -3.650 15.987 253 HA PRO 33 HA PRO 33 1.826 4.525 9.868 254 HB2 PRO 33 HB2 PRO 33 -0.464 6.115 10.823 255 HB3 PRO 33 HB3 PRO 33 0.707 6.479 9.552 256 HG2 PRO 33 HG2 PRO 33 -1.832 5.834 8.972 257 HG3 PRO 33 HG3 PRO 33 -0.480 5.325 7.941 258 HD2 PRO 33 HD2 PRO 33 -2.007 3.747 9.982 259 HD3 PRO 33 HD3 PRO 33 -1.447 3.258 8.368 260 H ARG 34 H ARG 34 -0.719 3.525 12.098 261 HA ARG 34 HA ARG 34 1.122 4.070 14.302 262 HE ARG 34 HE ARG 34 0.259 8.821 13.766 263 HB2 ARG 34 HB2 ARG 34 -1.773 4.931 14.198 264 HB3 ARG 34 HB3 ARG 34 -0.799 4.932 15.665 265 HG2 ARG 34 HG2 ARG 34 0.777 6.484 14.631 266 HG3 ARG 34 HG3 ARG 34 -0.185 6.481 13.157 267 HD2 ARG 34 HD2 ARG 34 -2.069 7.451 14.395 268 HD3 ARG 34 HD3 ARG 34 -1.086 7.468 15.862 269 HH11 ARG 34 HH11 ARG 34 -2.420 9.240 16.004 270 HH12 ARG 34 HH12 ARG 34 -2.278 10.976 16.024 271 HH21 ARG 34 HH21 ARG 34 0.416 11.079 13.785 272 HH22 ARG 34 HH22 ARG 34 -0.675 12.020 14.755 273 H ASN 35 H ASN 35 -0.701 3.304 16.362 274 HA ASN 35 HA ASN 35 0.096 0.546 16.205 275 HB2 ASN 35 HB2 ASN 35 0.560 1.906 18.189 276 HB3 ASN 35 HB3 ASN 35 -1.167 2.113 18.457 277 HD21 ASN 35 HD21 ASN 35 -1.271 1.145 20.415 278 HD22 ASN 35 HD22 ASN 35 -0.971 -0.539 20.673 279 H ASP 36 H ASP 36 -2.843 2.139 15.631 280 HA ASP 36 HA ASP 36 -4.360 -0.212 16.534 281 HB2 ASP 36 HB2 ASP 36 -6.289 1.270 16.849 282 HB3 ASP 36 HB3 ASP 36 -4.906 1.779 17.810 283 H GLU 37 H GLU 37 -6.804 0.451 15.348 284 HA GLU 37 HA GLU 37 -6.449 -0.991 12.935 285 HB2 GLU 37 HB2 GLU 37 -8.873 0.334 14.151 286 HB3 GLU 37 HB3 GLU 37 -8.929 -0.706 12.736 287 HG2 GLU 37 HG2 GLU 37 -7.702 -1.722 15.254 288 HG3 GLU 37 HG3 GLU 37 -9.454 -1.651 15.105 289 H GLN 38 H GLN 38 -5.778 2.142 13.304 290 HA GLN 38 HA GLN 38 -7.154 3.285 11.075 291 HB2 GLN 38 HB2 GLN 38 -4.712 4.215 12.591 292 HB3 GLN 38 HB3 GLN 38 -5.506 5.146 11.330 293 HG2 GLN 38 HG2 GLN 38 -6.811 4.243 13.884 294 HG3 GLN 38 HG3 GLN 38 -6.142 5.848 13.597 295 HE21 GLN 38 HE21 GLN 38 -7.188 7.243 12.194 296 HE22 GLN 38 HE22 GLN 38 -8.831 6.998 11.701 297 H VAL 39 H VAL 39 -6.753 1.719 9.458 298 HA VAL 39 HA VAL 39 -4.024 1.752 8.363 299 HB VAL 39 HB VAL 39 -4.741 -0.229 7.026 300 HG11 VAL 39 HG11 VAL 39 -4.668 -1.820 8.886 301 HG12 VAL 39 HG12 VAL 39 -5.002 -0.509 10.018 302 HG13 VAL 39 HG13 VAL 39 -3.497 -0.519 9.097 303 HG21 VAL 39 HG21 VAL 39 -7.202 -0.085 8.767 304 HG22 VAL 39 HG22 VAL 39 -6.776 -1.430 7.708 305 HG23 VAL 39 HG23 VAL 39 -7.143 0.152 7.021 306 H TYR 40 H TYR 40 -3.832 1.831 6.013 307 HA TYR 40 HA TYR 40 -6.073 3.169 4.678 308 HD1 TYR 40 HD1 TYR 40 -6.462 5.918 4.586 309 HD2 TYR 40 HD2 TYR 40 -3.091 4.937 6.981 310 HE1 TYR 40 HE1 TYR 40 -7.229 7.499 6.302 311 HE2 TYR 40 HE2 TYR 40 -3.842 6.523 8.702 312 HH TYR 40 HH TYR 40 -6.928 7.768 8.808 313 HB2 TYR 40 HB2 TYR 40 -3.217 4.159 4.754 314 HB3 TYR 40 HB3 TYR 40 -4.442 4.768 3.644 315 H ALA 41 H ALA 41 -6.578 1.833 3.090 316 HA ALA 41 HA ALA 41 -4.436 0.397 1.688 317 HB1 ALA 41 HB1 ALA 41 -6.289 -0.950 2.555 318 HB2 ALA 41 HB2 ALA 41 -6.207 -1.021 0.794 319 HB3 ALA 41 HB3 ALA 41 -7.423 -0.015 1.580 320 H ILE 42 H ILE 42 -3.613 1.840 0.253 321 HA ILE 42 HA ILE 42 -5.510 3.000 -1.682 322 HB ILE 42 HB ILE 42 -3.987 4.906 -1.967 323 HG12 ILE 42 HG12 ILE 42 -2.500 3.757 0.410 324 HG13 ILE 42 HG13 ILE 42 -1.903 3.781 -1.246 325 HG21 ILE 42 HG21 ILE 42 -5.867 5.106 -0.448 326 HG22 ILE 42 HG22 ILE 42 -4.489 6.024 0.157 327 HG23 ILE 42 HG23 ILE 42 -4.892 4.464 0.876 328 HD11 ILE 42 HD11 ILE 42 -0.917 5.558 0.095 329 HD12 ILE 42 HD12 ILE 42 -2.524 6.206 0.426 330 HD13 ILE 42 HD13 ILE 42 -1.891 6.213 -1.221 331 H SER 43 H SER 43 -4.389 3.630 -3.770 332 HA SER 43 HA SER 43 -3.122 1.274 -4.830 333 HG SER 43 HG SER 43 -5.443 1.781 -6.112 334 HB2 SER 43 HB2 SER 43 -3.578 3.898 -6.253 335 HB3 SER 43 HB3 SER 43 -3.467 2.287 -6.959 336 H ASN 44 H ASN 44 -1.340 2.123 -3.018 337 HA ASN 44 HA ASN 44 0.565 3.942 -4.341 338 HB2 ASN 44 HB2 ASN 44 -0.266 4.232 -1.896 339 HB3 ASN 44 HB3 ASN 44 0.843 2.916 -1.525 340 HD21 ASN 44 HD21 ASN 44 2.228 4.128 -0.301 341 HD22 ASN 44 HD22 ASN 44 3.226 5.380 -0.957 342 H ILE 45 H ILE 45 0.476 1.558 -5.554 343 HA ILE 45 HA ILE 45 2.327 -0.330 -4.383 344 HB ILE 45 HB ILE 45 1.239 -0.466 -7.185 345 HG12 ILE 45 HG12 ILE 45 -0.684 -0.030 -5.742 346 HG13 ILE 45 HG13 ILE 45 -0.712 -1.696 -6.309 347 HG21 ILE 45 HG21 ILE 45 2.015 -2.583 -5.183 348 HG22 ILE 45 HG22 ILE 45 2.923 -2.110 -6.620 349 HG23 ILE 45 HG23 ILE 45 1.350 -2.894 -6.786 350 HD11 ILE 45 HD11 ILE 45 -1.346 -1.531 -3.967 351 HD12 ILE 45 HD12 ILE 45 0.207 -0.781 -3.596 352 HD13 ILE 45 HD13 ILE 45 0.148 -2.449 -4.163 353 H ASP 46 H ASP 46 2.398 2.241 -6.577 354 HA ASP 46 HA ASP 46 4.047 3.282 -7.737 355 HB2 ASP 46 HB2 ASP 46 5.500 3.164 -5.877 356 HB3 ASP 46 HB3 ASP 46 5.744 1.431 -6.075 357 HA PRO 47 HA PRO 47 4.138 0.530 -11.209 358 HB2 PRO 47 HB2 PRO 47 4.769 2.760 -12.895 359 HB3 PRO 47 HB3 PRO 47 3.208 1.973 -12.670 360 HG2 PRO 47 HG2 PRO 47 3.803 4.545 -11.860 361 HG3 PRO 47 HG3 PRO 47 2.496 3.551 -11.189 362 HD2 PRO 47 HD2 PRO 47 5.227 4.095 -10.097 363 HD3 PRO 47 HD3 PRO 47 3.676 3.941 -9.242 364 H PHE 48 H PHE 48 6.707 1.458 -9.652 365 HA PHE 48 HA PHE 48 8.587 0.955 -11.856 366 HD1 PHE 48 HD1 PHE 48 10.858 2.345 -12.396 367 HD2 PHE 48 HD2 PHE 48 10.948 1.583 -8.213 368 HE1 PHE 48 HE1 PHE 48 13.294 2.040 -12.504 369 HE2 PHE 48 HE2 PHE 48 13.385 1.273 -8.315 370 HZ PHE 48 HZ PHE 48 14.562 1.504 -10.466 371 HB2 PHE 48 HB2 PHE 48 9.014 3.076 -10.783 372 HB3 PHE 48 HB3 PHE 48 8.986 2.327 -9.193 373 H ALA 49 H ALA 49 7.611 -0.073 -8.616 374 HA ALA 49 HA ALA 49 9.452 -2.366 -8.901 375 HB1 ALA 49 HB1 ALA 49 9.751 -2.382 -6.498 376 HB2 ALA 49 HB2 ALA 49 8.643 -1.022 -6.330 377 HB3 ALA 49 HB3 ALA 49 10.185 -0.804 -7.156 378 H GLN 50 H GLN 50 6.237 -1.315 -8.278 379 HA GLN 50 HA GLN 50 4.266 -2.405 -8.101 380 HB2 GLN 50 HB2 GLN 50 5.958 -4.728 -9.002 381 HB3 GLN 50 HB3 GLN 50 4.250 -4.912 -8.652 382 HG2 GLN 50 HG2 GLN 50 4.441 -4.670 -10.980 383 HG3 GLN 50 HG3 GLN 50 3.814 -3.139 -10.375 384 HE21 GLN 50 HE21 GLN 50 5.035 -1.309 -10.579 385 HE22 GLN 50 HE22 GLN 50 6.501 -1.248 -11.497 386 H ALA 51 H ALA 51 6.252 -2.344 -5.771 387 HA ALA 51 HA ALA 51 4.997 -4.499 -4.186 388 HB1 ALA 51 HB1 ALA 51 7.332 -5.042 -4.698 389 HB2 ALA 51 HB2 ALA 51 7.087 -4.786 -2.970 390 HB3 ALA 51 HB3 ALA 51 7.843 -3.530 -3.951 391 H SER 52 H SER 52 4.432 -1.561 -4.537 392 HA SER 52 HA SER 52 3.712 0.175 -3.255 393 HG SER 52 HG SER 52 2.468 -2.582 -2.696 394 HB2 SER 52 HB2 SER 52 3.782 -1.884 -1.040 395 HB3 SER 52 HB3 SER 52 2.900 -0.354 -1.006 396 H VAL 53 H VAL 53 6.415 0.063 -3.701 397 HA VAL 53 HA VAL 53 7.977 0.172 -1.326 398 HB VAL 53 HB VAL 53 9.763 1.141 -2.762 399 HG11 VAL 53 HG11 VAL 53 10.049 -0.857 -4.161 400 HG12 VAL 53 HG12 VAL 53 8.372 -1.305 -3.849 401 HG13 VAL 53 HG13 VAL 53 9.535 -1.263 -2.525 402 HG21 VAL 53 HG21 VAL 53 8.380 2.423 -4.294 403 HG22 VAL 53 HG22 VAL 53 7.678 0.936 -4.931 404 HG23 VAL 53 HG23 VAL 53 9.390 1.283 -5.182 405 H LEU 54 H LEU 54 5.968 2.454 -2.883 406 HA LEU 54 HA LEU 54 7.205 4.808 -1.824 407 HG LEU 54 HG LEU 54 5.811 3.901 -4.653 408 HB2 LEU 54 HB2 LEU 54 4.370 4.420 -2.784 409 HB3 LEU 54 HB3 LEU 54 5.174 5.954 -2.537 410 HD11 LEU 54 HD11 LEU 54 3.823 5.259 -5.075 411 HD12 LEU 54 HD12 LEU 54 5.126 5.647 -6.196 412 HD13 LEU 54 HD13 LEU 54 4.776 6.724 -4.844 413 HD21 LEU 54 HD21 LEU 54 7.866 4.927 -3.807 414 HD22 LEU 54 HD22 LEU 54 7.179 6.528 -4.088 415 HD23 LEU 54 HD23 LEU 54 7.502 5.456 -5.449 416 H SER 55 H SER 55 5.217 2.351 -0.571 417 HA SER 55 HA SER 55 4.045 3.975 1.526 418 HG SER 55 HG SER 55 2.663 1.478 -0.456 419 HB2 SER 55 HB2 SER 55 3.955 0.978 1.115 420 HB3 SER 55 HB3 SER 55 2.935 1.918 2.205 421 H ARG 56 H ARG 56 7.007 2.761 0.997 422 HA ARG 56 HA ARG 56 7.532 2.095 3.809 423 HE ARG 56 HE ARG 56 11.093 -1.025 4.575 424 HB2 ARG 56 HB2 ARG 56 8.349 0.676 1.780 425 HB3 ARG 56 HB3 ARG 56 9.547 1.946 1.580 426 HG2 ARG 56 HG2 ARG 56 10.331 1.534 3.876 427 HG3 ARG 56 HG3 ARG 56 9.170 0.210 4.010 428 HD2 ARG 56 HD2 ARG 56 10.272 -0.751 1.929 429 HD3 ARG 56 HD3 ARG 56 11.560 0.422 2.202 430 HH11 ARG 56 HH11 ARG 56 12.535 -1.347 1.398 431 HH12 ARG 56 HH12 ARG 56 13.557 -2.676 1.860 432 HH21 ARG 56 HH21 ARG 56 12.410 -2.775 5.184 433 HH22 ARG 56 HH22 ARG 56 13.471 -3.508 4.009 434 H GLY 57 H GLY 57 7.096 4.754 2.263 435 HA2 GLY 57 HA2 GLY 57 9.626 6.116 2.605 436 HA3 GLY 57 HA3 GLY 57 8.132 6.820 2.005 437 H ILE 58 H ILE 58 8.301 8.637 3.285 438 HA ILE 58 HA ILE 58 8.469 8.265 6.187 439 HB ILE 58 HB ILE 58 8.736 10.749 4.486 440 HG12 ILE 58 HG12 ILE 58 11.064 10.717 5.613 441 HG13 ILE 58 HG13 ILE 58 10.708 9.034 5.980 442 HG21 ILE 58 HG21 ILE 58 8.925 10.495 7.481 443 HG22 ILE 58 HG22 ILE 58 7.664 11.333 6.577 444 HG23 ILE 58 HG23 ILE 58 9.322 11.938 6.547 445 HD11 ILE 58 HD11 ILE 58 10.796 10.252 3.228 446 HD12 ILE 58 HD12 ILE 58 10.475 8.560 3.605 447 HD13 ILE 58 HD13 ILE 58 12.054 9.259 3.966 448 H VAL 59 H VAL 59 6.789 8.481 7.457 449 HA VAL 59 HA VAL 59 4.216 9.258 6.443 450 HB VAL 59 HB VAL 59 5.135 8.670 9.266 451 HG11 VAL 59 HG11 VAL 59 3.132 10.059 9.263 452 HG12 VAL 59 HG12 VAL 59 2.748 8.421 9.791 453 HG13 VAL 59 HG13 VAL 59 2.339 8.940 8.155 454 HG21 VAL 59 HG21 VAL 59 4.027 6.502 8.940 455 HG22 VAL 59 HG22 VAL 59 5.358 6.743 7.807 456 HG23 VAL 59 HG23 VAL 59 3.690 6.936 7.265 457 H ALA 60 H ALA 60 4.121 11.355 5.907 458 HA ALA 60 HA ALA 60 5.292 13.338 7.721 459 HB1 ALA 60 HB1 ALA 60 5.173 14.898 5.843 460 HB2 ALA 60 HB2 ALA 60 4.404 13.657 4.855 461 HB3 ALA 60 HB3 ALA 60 6.065 13.439 5.405 462 H GLU 61 H GLU 61 3.770 13.657 9.247 463 HA GLU 61 HA GLU 61 1.008 14.158 8.522 464 HB2 GLU 61 HB2 GLU 61 1.418 12.958 10.581 465 HB3 GLU 61 HB3 GLU 61 2.485 14.228 11.161 466 HG2 GLU 61 HG2 GLU 61 0.564 15.768 11.239 467 HG3 GLU 61 HG3 GLU 61 -0.485 14.442 10.737 468 H HIS 62 H HIS 62 0.527 16.049 7.658 469 HA HIS 62 HA HIS 62 2.104 18.404 8.326 470 HD2 HIS 62 HD2 HIS 62 -0.956 20.799 6.851 471 HE1 HIS 62 HE1 HIS 62 2.640 22.437 5.346 472 HE2 HIS 62 HE2 HIS 62 0.225 22.925 5.940 473 HB2 HIS 62 HB2 HIS 62 1.502 17.905 5.950 474 HB3 HIS 62 HB3 HIS 62 -0.192 18.140 6.366 475 H GLN 63 H GLN 63 1.513 18.880 10.395 476 HA GLN 63 HA GLN 63 0.352 19.857 12.073 477 HB2 GLN 63 HB2 GLN 63 -1.546 20.583 9.839 478 HB3 GLN 63 HB3 GLN 63 -1.735 21.137 11.498 479 HG2 GLN 63 HG2 GLN 63 0.312 22.364 11.394 480 HG3 GLN 63 HG3 GLN 63 0.708 21.668 9.822 481 HE21 GLN 63 HE21 GLN 63 0.866 23.699 8.875 482 HE22 GLN 63 HE22 GLN 63 -0.529 24.661 8.525 483 H ASP 64 H ASP 64 -2.352 18.739 10.087 484 HA ASP 64 HA ASP 64 -3.101 16.862 12.230 485 HB2 ASP 64 HB2 ASP 64 -4.514 18.932 12.223 486 HB3 ASP 64 HB3 ASP 64 -5.011 18.538 10.582 487 H ASP 65 H ASP 65 -2.701 17.543 8.885 488 HA ASP 65 HA ASP 65 -4.363 15.387 7.931 489 HB2 ASP 65 HB2 ASP 65 -3.687 17.720 6.823 490 HB3 ASP 65 HB3 ASP 65 -2.382 16.739 6.165 491 H LEU 66 H LEU 66 -3.363 13.809 6.318 492 HA LEU 66 HA LEU 66 -0.804 12.841 7.416 493 HG LEU 66 HG LEU 66 -3.299 12.140 9.048 494 HB2 LEU 66 HB2 LEU 66 -3.268 11.229 6.767 495 HB3 LEU 66 HB3 LEU 66 -1.696 10.519 7.070 496 HD11 LEU 66 HD11 LEU 66 -3.536 10.018 10.238 497 HD12 LEU 66 HD12 LEU 66 -2.694 9.189 8.929 498 HD13 LEU 66 HD13 LEU 66 -4.262 9.940 8.632 499 HD21 LEU 66 HD21 LEU 66 -0.902 12.437 9.363 500 HD22 LEU 66 HD22 LEU 66 -0.676 10.687 9.361 501 HD23 LEU 66 HD23 LEU 66 -1.589 11.458 10.659 502 H TRP 67 H TRP 67 0.636 13.063 5.868 503 HA TRP 67 HA TRP 67 -0.097 12.284 3.116 504 HD1 TRP 67 HD1 TRP 67 0.095 15.527 5.491 505 HE1 TRP 67 HE1 TRP 67 -1.543 17.360 4.726 506 HE3 TRP 67 HE3 TRP 67 0.284 14.737 0.442 507 HZ2 TRP 67 HZ2 TRP 67 -2.609 18.344 2.310 508 HZ3 TRP 67 HZ3 TRP 67 -1.073 16.171 -1.025 509 HH2 TRP 67 HH2 TRP 67 -2.490 17.936 -0.111 510 HB2 TRP 67 HB2 TRP 67 2.061 14.231 3.972 511 HB3 TRP 67 HB3 TRP 67 1.585 13.860 2.322 512 H VAL 68 H VAL 68 1.298 10.880 2.041 513 HA VAL 68 HA VAL 68 3.524 9.849 3.649 514 HB VAL 68 HB VAL 68 2.002 8.112 2.886 515 HG11 VAL 68 HG11 VAL 68 2.668 9.017 0.089 516 HG12 VAL 68 HG12 VAL 68 1.104 9.161 0.893 517 HG13 VAL 68 HG13 VAL 68 1.754 7.568 0.509 518 HG21 VAL 68 HG21 VAL 68 4.335 7.531 3.116 519 HG22 VAL 68 HG22 VAL 68 4.655 8.049 1.460 520 HG23 VAL 68 HG23 VAL 68 3.628 6.647 1.764 521 H ALA 69 H ALA 69 5.526 10.381 3.170 522 HA ALA 69 HA ALA 69 6.063 11.981 0.811 523 HB1 ALA 69 HB1 ALA 69 8.287 12.282 1.781 524 HB2 ALA 69 HB2 ALA 69 7.911 11.100 3.033 525 HB3 ALA 69 HB3 ALA 69 7.031 12.627 2.969 526 H SER 70 H SER 70 6.348 10.956 -1.033 527 HA SER 70 HA SER 70 6.994 8.247 -1.329 528 HG SER 70 HG SER 70 6.700 8.064 -4.294 529 HB2 SER 70 HB2 SER 70 5.841 9.519 -3.064 530 HB3 SER 70 HB3 SER 70 7.266 10.531 -3.296 531 HA PRO 71 HA PRO 71 11.404 8.565 -0.607 532 HB2 PRO 71 HB2 PRO 71 11.978 5.945 -0.959 533 HB3 PRO 71 HB3 PRO 71 11.199 6.553 0.507 534 HG2 PRO 71 HG2 PRO 71 9.966 5.236 -1.888 535 HG3 PRO 71 HG3 PRO 71 9.643 4.954 -0.165 536 HD2 PRO 71 HD2 PRO 71 8.042 6.497 -1.716 537 HD3 PRO 71 HD3 PRO 71 8.284 6.807 0.014 538 H LEU 72 H LEU 72 9.764 7.785 -3.468 539 HA LEU 72 HA LEU 72 12.287 7.700 -4.980 540 HG LEU 72 HG LEU 72 10.765 5.093 -4.256 541 HB2 LEU 72 HB2 LEU 72 9.562 6.643 -5.725 542 HB3 LEU 72 HB3 LEU 72 10.933 6.688 -6.814 543 HD11 LEU 72 HD11 LEU 72 10.773 3.156 -5.737 544 HD12 LEU 72 HD12 LEU 72 10.766 4.221 -7.142 545 HD13 LEU 72 HD13 LEU 72 9.379 4.189 -6.052 546 HD21 LEU 72 HD21 LEU 72 13.035 5.865 -4.688 547 HD22 LEU 72 HD22 LEU 72 12.946 5.230 -6.330 548 HD23 LEU 72 HD23 LEU 72 12.897 4.128 -4.954 549 H LYS 73 H LYS 73 8.963 8.956 -5.087 550 HA LYS 73 HA LYS 73 9.755 10.821 -7.183 551 HB2 LYS 73 HB2 LYS 73 7.171 9.748 -6.195 552 HB3 LYS 73 HB3 LYS 73 7.160 11.370 -6.876 553 HG2 LYS 73 HG2 LYS 73 8.216 8.925 -8.285 554 HG3 LYS 73 HG3 LYS 73 6.610 9.623 -8.522 555 HD2 LYS 73 HD2 LYS 73 7.687 11.754 -9.195 556 HD3 LYS 73 HD3 LYS 73 9.259 10.966 -9.064 557 HE2 LYS 73 HE2 LYS 73 7.032 10.071 -10.890 558 HE3 LYS 73 HE3 LYS 73 8.391 11.079 -11.383 559 HZ1 LYS 73 HZ1 LYS 73 9.886 9.267 -10.725 560 HZ2 LYS 73 HZ2 LYS 73 8.811 8.801 -11.951 561 HZ3 LYS 73 HZ3 LYS 73 8.544 8.293 -10.355 562 H LYS 74 H LYS 74 9.576 10.806 -3.847 563 HA LYS 74 HA LYS 74 10.075 12.417 -2.330 564 HB2 LYS 74 HB2 LYS 74 11.496 13.408 -4.058 565 HB3 LYS 74 HB3 LYS 74 10.120 14.296 -4.693 566 HG2 LYS 74 HG2 LYS 74 11.532 15.731 -3.356 567 HG3 LYS 74 HG3 LYS 74 9.950 15.535 -2.598 568 HD2 LYS 74 HD2 LYS 74 10.824 14.024 -0.979 569 HD3 LYS 74 HD3 LYS 74 12.358 13.891 -1.842 570 HE2 LYS 74 HE2 LYS 74 11.303 16.420 -0.585 571 HE3 LYS 74 HE3 LYS 74 12.481 15.340 0.162 572 HZ1 LYS 74 HZ1 LYS 74 13.992 15.757 -1.658 573 HZ2 LYS 74 HZ2 LYS 74 13.537 17.222 -0.938 574 HZ3 LYS 74 HZ3 LYS 74 12.859 16.762 -2.421 575 H GLN 75 H GLN 75 7.558 13.172 -4.637 576 HA GLN 75 HA GLN 75 6.237 15.208 -3.280 577 HB2 GLN 75 HB2 GLN 75 4.231 14.466 -4.619 578 HB3 GLN 75 HB3 GLN 75 5.682 14.819 -5.547 579 HG2 GLN 75 HG2 GLN 75 6.160 12.458 -5.755 580 HG3 GLN 75 HG3 GLN 75 4.769 12.065 -4.744 581 HE21 GLN 75 HE21 GLN 75 5.440 11.357 -7.526 582 HE22 GLN 75 HE22 GLN 75 4.093 11.875 -8.473 583 H HIS 76 H HIS 76 4.176 15.194 -2.248 584 HA HIS 76 HA HIS 76 3.930 12.998 -0.312 585 HD1 HIS 76 HD1 HIS 76 5.216 16.826 -0.390 586 HD2 HIS 76 HD2 HIS 76 4.457 14.279 2.818 587 HE1 HIS 76 HE1 HIS 76 7.042 17.263 1.278 588 HE2 HIS 76 HE2 HIS 76 6.474 15.841 3.274 589 HB2 HIS 76 HB2 HIS 76 2.806 15.807 -0.324 590 HB3 HIS 76 HB3 HIS 76 2.466 14.615 0.922 591 H PHE 77 H PHE 77 2.385 11.535 -0.609 592 HA PHE 77 HA PHE 77 -0.005 12.242 -2.169 593 HD1 PHE 77 HD1 PHE 77 3.165 9.750 -2.011 594 HD2 PHE 77 HD2 PHE 77 -0.276 10.127 -4.482 595 HE1 PHE 77 HE1 PHE 77 4.561 9.395 -4.004 596 HE2 PHE 77 HE2 PHE 77 1.115 9.773 -6.480 597 HZ PHE 77 HZ PHE 77 3.537 9.405 -6.241 598 HB2 PHE 77 HB2 PHE 77 0.893 9.549 -1.104 599 HB3 PHE 77 HB3 PHE 77 -0.507 9.830 -2.130 600 H ARG 78 H ARG 78 -1.852 12.771 -1.095 601 HA ARG 78 HA ARG 78 -1.869 12.534 1.785 602 HE ARG 78 HE ARG 78 -5.867 15.182 0.463 603 HB2 ARG 78 HB2 ARG 78 -2.842 14.498 0.471 604 HB3 ARG 78 HB3 ARG 78 -4.193 13.439 0.089 605 HG2 ARG 78 HG2 ARG 78 -4.876 13.301 2.321 606 HG3 ARG 78 HG3 ARG 78 -3.334 13.910 2.922 607 HD2 ARG 78 HD2 ARG 78 -4.830 15.697 3.167 608 HD3 ARG 78 HD3 ARG 78 -3.895 16.078 1.724 609 HH11 ARG 78 HH11 ARG 78 -6.163 16.578 3.660 610 HH12 ARG 78 HH12 ARG 78 -7.839 17.006 3.458 611 HH21 ARG 78 HH21 ARG 78 -8.095 15.715 0.189 612 HH22 ARG 78 HH22 ARG 78 -8.944 16.512 1.490 613 H LEU 79 H LEU 79 -2.565 10.855 2.869 614 HA LEU 79 HA LEU 79 -3.119 8.456 1.579 615 HG LEU 79 HG LEU 79 -1.264 9.477 3.870 616 HB2 LEU 79 HB2 LEU 79 -3.645 9.198 4.455 617 HB3 LEU 79 HB3 LEU 79 -3.601 7.562 3.825 618 HD11 LEU 79 HD11 LEU 79 -1.827 7.024 5.533 619 HD12 LEU 79 HD12 LEU 79 -1.896 8.693 6.098 620 HD13 LEU 79 HD13 LEU 79 -0.359 8.001 5.580 621 HD21 LEU 79 HD21 LEU 79 -1.199 7.924 1.977 622 HD22 LEU 79 HD22 LEU 79 -1.404 6.567 3.084 623 HD23 LEU 79 HD23 LEU 79 0.053 7.558 3.163 624 H TYR 80 H TYR 80 -5.389 10.514 3.403 625 HA TYR 80 HA TYR 80 -7.572 8.715 2.682 626 HD1 TYR 80 HD2 TYR 80 -8.266 7.581 5.061 627 HD2 TYR 80 HD1 TYR 80 -10.293 11.253 4.345 628 HE1 TYR 80 HE2 TYR 80 -10.392 6.526 5.702 629 HE2 TYR 80 HE1 TYR 80 -12.424 10.206 4.987 630 HH TYR 80 HH TYR 80 -13.391 7.867 5.060 631 HB2 TYR 80 HB2 TYR 80 -7.077 9.847 5.013 632 HB3 TYR 80 HB3 TYR 80 -7.940 11.206 4.306 633 H ASP 81 H ASP 81 -6.348 10.280 0.594 634 HA ASP 81 HA ASP 81 -8.668 11.810 -0.295 635 HB2 ASP 81 HB2 ASP 81 -7.354 13.497 0.786 636 HB3 ASP 81 HB3 ASP 81 -5.886 12.942 -0.007 637 H GLY 82 H GLY 82 -5.288 11.088 -1.206 638 HA2 GLY 82 HA2 GLY 82 -4.924 9.437 -2.969 639 HA3 GLY 82 HA3 GLY 82 -6.347 10.080 -3.772 640 H PHE 83 H PHE 83 -5.565 12.878 -3.221 641 HA PHE 83 HA PHE 83 -3.990 13.194 -5.617 642 HD1 PHE 83 HD2 PHE 83 -7.381 14.088 -3.943 643 HD2 PHE 83 HD1 PHE 83 -5.218 15.528 -7.311 644 HE1 PHE 83 HE2 PHE 83 -9.429 13.977 -5.297 645 HE2 PHE 83 HE1 PHE 83 -7.262 15.420 -8.671 646 HZ PHE 83 HZ PHE 83 -9.370 14.646 -7.666 647 HB2 PHE 83 HB2 PHE 83 -5.199 15.200 -3.710 648 HB3 PHE 83 HB3 PHE 83 -4.275 15.656 -5.136 649 H CYS 84 H CYS 84 -2.211 14.832 -5.659 650 HA CYS 84 HA CYS 84 -0.344 14.245 -3.465 651 HG CYS 84 HG CYS 84 -0.606 12.165 -5.291 652 HB2 CYS 84 HB2 CYS 84 0.323 15.202 -6.253 653 HB3 CYS 84 HB3 CYS 84 1.428 14.522 -5.060 654 H LEU 85 H LEU 85 1.214 15.972 -2.917 655 HA LEU 85 HA LEU 85 -0.260 18.425 -2.502 656 HG LEU 85 HG LEU 85 2.231 20.038 -1.450 657 HB2 LEU 85 HB2 LEU 85 0.978 17.403 -0.663 658 HB3 LEU 85 HB3 LEU 85 2.474 17.573 -1.557 659 HD11 LEU 85 HD11 LEU 85 0.594 21.000 0.100 660 HD12 LEU 85 HD12 LEU 85 -0.125 19.403 0.317 661 HD13 LEU 85 HD13 LEU 85 -0.180 20.189 -1.261 662 HD21 LEU 85 HD21 LEU 85 2.816 20.256 0.899 663 HD22 LEU 85 HD22 LEU 85 3.571 18.821 0.205 664 HD23 LEU 85 HD23 LEU 85 2.145 18.660 1.231 665 H GLU 86 H GLU 86 3.078 17.786 -3.586 666 HA GLU 86 HA GLU 86 3.120 20.438 -4.793 667 HB2 GLU 86 HB2 GLU 86 5.573 19.942 -5.116 668 HB3 GLU 86 HB3 GLU 86 5.020 20.017 -3.450 669 HG2 GLU 86 HG2 GLU 86 5.275 17.413 -4.914 670 HG3 GLU 86 HG3 GLU 86 6.642 18.160 -4.092 671 H ASP 87 H ASP 87 2.524 17.293 -5.764 672 HA ASP 87 HA ASP 87 2.841 18.083 -8.569 673 HB2 ASP 87 HB2 ASP 87 4.720 16.530 -7.735 674 HB3 ASP 87 HB3 ASP 87 3.483 15.280 -7.641 675 H GLY 88 H GLY 88 1.825 15.611 -9.620 676 HA2 GLY 88 HA2 GLY 88 -0.454 14.635 -8.362 677 HA3 GLY 88 HA3 GLY 88 -0.958 16.063 -9.248 678 H ALA 89 H ALA 89 1.631 14.045 -10.420 679 HA ALA 89 HA ALA 89 0.119 13.534 -12.832 680 HB1 ALA 89 HB1 ALA 89 2.496 14.162 -12.922 681 HB2 ALA 89 HB2 ALA 89 2.180 12.619 -13.714 682 HB3 ALA 89 HB3 ALA 89 2.914 12.653 -12.110 683 H TYR 90 H TYR 90 0.017 12.062 -9.947 684 HA TYR 90 HA TYR 90 -0.356 9.410 -11.160 685 HD1 TYR 90 HD1 TYR 90 1.448 7.150 -10.470 686 HD2 TYR 90 HD2 TYR 90 2.770 11.003 -9.248 687 HE1 TYR 90 HE1 TYR 90 3.686 6.659 -11.365 688 HE2 TYR 90 HE2 TYR 90 5.009 10.527 -10.143 689 HH TYR 90 HH TYR 90 5.662 7.962 -12.214 690 HB2 TYR 90 HB2 TYR 90 0.689 10.090 -8.414 691 HB3 TYR 90 HB3 TYR 90 0.160 8.475 -8.872 692 H SER 91 H SER 91 -1.188 10.724 -7.974 693 HA SER 91 HA SER 91 -3.115 10.813 -6.794 694 HG SER 91 HG SER 91 -4.554 12.964 -9.271 695 HB2 SER 91 HB2 SER 91 -4.489 10.703 -9.489 696 HB3 SER 91 HB3 SER 91 -5.235 11.175 -7.963 697 H VAL 92 H VAL 92 -3.451 9.087 -5.587 698 HA VAL 92 HA VAL 92 -3.914 6.496 -6.870 699 HB VAL 92 HB VAL 92 -3.447 5.514 -4.670 700 HG11 VAL 92 HG11 VAL 92 -1.394 7.541 -5.552 701 HG12 VAL 92 HG12 VAL 92 -1.579 5.899 -6.169 702 HG13 VAL 92 HG13 VAL 92 -1.079 6.163 -4.499 703 HG21 VAL 92 HG21 VAL 92 -4.339 7.250 -3.235 704 HG22 VAL 92 HG22 VAL 92 -3.085 8.370 -3.769 705 HG23 VAL 92 HG23 VAL 92 -2.652 6.943 -2.827 706 H ALA 93 H ALA 93 -5.507 5.021 -5.884 707 HA ALA 93 HA ALA 93 -7.924 6.453 -5.048 708 HB1 ALA 93 HB1 ALA 93 -9.106 4.357 -5.563 709 HB2 ALA 93 HB2 ALA 93 -7.568 3.602 -5.985 710 HB3 ALA 93 HB3 ALA 93 -8.184 4.945 -6.947 711 H ALA 94 H ALA 94 -9.277 5.198 -3.381 712 HA ALA 94 HA ALA 94 -7.621 3.927 -1.355 713 HB1 ALA 94 HB1 ALA 94 -7.538 6.297 -0.799 714 HB2 ALA 94 HB2 ALA 94 -8.484 5.415 0.398 715 HB3 ALA 94 HB3 ALA 94 -9.299 6.381 -0.831 716 H TYR 95 H TYR 95 -8.626 2.168 -0.754 717 HA TYR 95 HA TYR 95 -11.472 1.857 -1.222 718 HD1 TYR 95 HD2 TYR 95 -11.859 0.986 -2.840 719 HD2 TYR 95 HD1 TYR 95 -8.547 -1.561 -2.040 720 HE1 TYR 95 HE2 TYR 95 -11.780 0.353 -5.214 721 HE2 TYR 95 HE1 TYR 95 -8.460 -2.200 -4.413 722 HH TYR 95 HH TYR 95 -9.879 -2.271 -6.353 723 HB2 TYR 95 HB2 TYR 95 -9.298 -0.046 -0.383 724 HB3 TYR 95 HB3 TYR 95 -10.995 -0.504 -0.331 725 H ASP 96 H ASP 96 -13.000 1.376 0.339 726 HA ASP 96 HA ASP 96 -12.703 2.577 2.884 727 HB2 ASP 96 HB2 ASP 96 -14.780 0.555 2.007 728 HB3 ASP 96 HB3 ASP 96 -14.901 1.636 3.389 729 H THR 97 H THR 97 -12.293 1.704 4.865 730 HA THR 97 HA THR 97 -11.580 -1.167 4.924 731 HB THR 97 HB THR 97 -10.134 -0.456 6.925 732 HG1 THR 97 HG1 THR 97 -11.226 1.897 6.354 733 HG21 THR 97 HG21 THR 97 -8.260 0.177 5.490 734 HG22 THR 97 HG22 THR 97 -9.379 0.541 4.176 735 HG23 THR 97 HG23 THR 97 -9.205 -1.116 4.755 736 H GLN 98 H GLN 98 -12.798 -2.385 6.198 737 HA GLN 98 HA GLN 98 -14.451 -1.076 8.248 738 HB2 GLN 98 HB2 GLN 98 -15.726 -2.302 6.581 739 HB3 GLN 98 HB3 GLN 98 -14.784 -3.749 6.892 740 HG2 GLN 98 HG2 GLN 98 -15.662 -3.762 9.206 741 HG3 GLN 98 HG3 GLN 98 -16.690 -2.395 8.780 742 HE21 GLN 98 HE21 GLN 98 -15.986 -4.983 6.551 743 HE22 GLN 98 HE22 GLN 98 -17.572 -5.672 6.546 744 H VAL 99 H VAL 99 -14.365 -1.638 10.274 745 HA VAL 99 HA VAL 99 -12.302 -3.517 11.162 746 HB VAL 99 HB VAL 99 -14.044 -1.656 12.802 747 HG11 VAL 99 HG11 VAL 99 -13.240 -3.537 14.102 748 HG12 VAL 99 HG12 VAL 99 -12.390 -2.068 14.582 749 HG13 VAL 99 HG13 VAL 99 -11.594 -3.252 13.542 750 HG21 VAL 99 HG21 VAL 99 -12.062 -0.233 12.983 751 HG22 VAL 99 HG22 VAL 99 -12.575 -0.406 11.305 752 HG23 VAL 99 HG23 VAL 99 -11.185 -1.313 11.901 753 H THR 100 H THR 100 -13.105 -5.542 10.948 754 HA THR 100 HA THR 100 -15.919 -6.036 11.442 755 HB THR 100 HB THR 100 -14.812 -7.032 9.476 756 HG1 THR 100 HG1 THR 100 -16.040 -8.623 11.447 757 HG21 THR 100 HG21 THR 100 -12.605 -7.457 10.439 758 HG22 THR 100 HG22 THR 100 -13.289 -8.928 9.752 759 HG23 THR 100 HG23 THR 100 -13.297 -8.688 11.498 760 H ASN 101 H ASN 101 -13.028 -6.212 13.202 761 HA ASN 101 HA ASN 101 -14.117 -7.145 15.585 762 HB2 ASN 101 HB2 ASN 101 -14.349 -9.305 14.350 763 HB3 ASN 101 HB3 ASN 101 -12.613 -9.315 14.084 764 HD21 ASN 101 HD21 ASN 101 -14.336 -11.225 15.453 765 HD22 ASN 101 HD22 ASN 101 -13.683 -11.389 17.050 766 H GLY 102 H GLY 102 -11.164 -8.351 14.159 767 HA2 GLY 102 HA2 GLY 102 -9.595 -6.128 15.217 768 HA3 GLY 102 HA3 GLY 102 -9.189 -7.751 15.779 769 H ASN 103 H ASN 103 -10.495 -7.231 12.675 770 HA ASN 103 HA ASN 103 -7.926 -7.657 11.346 771 HB2 ASN 103 HB2 ASN 103 -10.440 -9.297 10.897 772 HB3 ASN 103 HB3 ASN 103 -9.002 -9.369 9.886 773 HD21 ASN 103 HD21 ASN 103 -10.425 -11.354 11.616 774 HD22 ASN 103 HD22 ASN 103 -9.180 -12.012 12.635 775 H VAL 104 H VAL 104 -8.060 -7.071 9.032 776 HA VAL 104 HA VAL 104 -9.867 -4.763 8.832 777 HB VAL 104 HB VAL 104 -7.334 -5.314 7.274 778 HG11 VAL 104 HG11 VAL 104 -7.459 -2.941 6.672 779 HG12 VAL 104 HG12 VAL 104 -8.995 -2.809 7.529 780 HG13 VAL 104 HG13 VAL 104 -8.868 -3.833 6.099 781 HG21 VAL 104 HG21 VAL 104 -7.770 -3.527 9.664 782 HG22 VAL 104 HG22 VAL 104 -6.284 -3.635 8.719 783 HG23 VAL 104 HG23 VAL 104 -6.845 -5.029 9.643 784 H GLN 105 H GLN 105 -11.276 -4.518 7.160 785 HA GLN 105 HA GLN 105 -11.022 -6.344 4.863 786 HB2 GLN 105 HB2 GLN 105 -13.607 -5.497 6.194 787 HB3 GLN 105 HB3 GLN 105 -13.503 -6.365 4.667 788 HG2 GLN 105 HG2 GLN 105 -12.221 -8.141 5.983 789 HG3 GLN 105 HG3 GLN 105 -12.835 -7.325 7.422 790 HE21 GLN 105 HE21 GLN 105 -15.061 -7.360 7.843 791 HE22 GLN 105 HE22 GLN 105 -16.116 -8.484 7.067 792 H ILE 106 H ILE 106 -11.033 -5.333 2.928 793 HA ILE 106 HA ILE 106 -11.816 -2.504 2.908 794 HB ILE 106 HB ILE 106 -10.298 -2.053 1.134 795 HG12 ILE 106 HG12 ILE 106 -10.587 -4.258 -0.058 796 HG13 ILE 106 HG13 ILE 106 -8.938 -3.652 -0.010 797 HG21 ILE 106 HG21 ILE 106 -8.917 -3.738 3.210 798 HG22 ILE 106 HG22 ILE 106 -9.339 -2.032 3.353 799 HG23 ILE 106 HG23 ILE 106 -8.139 -2.547 2.168 800 HD11 ILE 106 HD11 ILE 106 -10.085 -5.820 1.734 801 HD12 ILE 106 HD12 ILE 106 -8.434 -5.204 1.815 802 HD13 ILE 106 HD13 ILE 106 -8.994 -6.040 0.366 803 H SER 107 H SER 107 -13.136 -1.726 1.302 804 HA SER 107 HA SER 107 -14.796 -3.646 -0.051 805 HG SER 107 HG SER 107 -16.126 -0.578 1.326 806 HB2 SER 107 HB2 SER 107 -14.735 -0.623 -0.287 807 HB3 SER 107 HB3 SER 107 -16.000 -1.680 -0.912 808 H ILE 108 H ILE 108 -13.940 -4.683 -1.762 809 HA ILE 108 HA ILE 108 -12.071 -3.335 -3.500 810 HB ILE 108 HB ILE 108 -12.096 -5.457 -4.822 811 HG12 ILE 108 HG12 ILE 108 -13.101 -7.407 -3.286 812 HG13 ILE 108 HG13 ILE 108 -14.223 -6.126 -2.845 813 HG21 ILE 108 HG21 ILE 108 -10.435 -5.064 -3.112 814 HG22 ILE 108 HG22 ILE 108 -10.892 -6.766 -3.139 815 HG23 ILE 108 HG23 ILE 108 -11.521 -5.704 -1.877 816 HD11 ILE 108 HD11 ILE 108 -15.106 -7.493 -4.646 817 HD12 ILE 108 HD12 ILE 108 -13.696 -7.119 -5.638 818 HD13 ILE 108 HD13 ILE 108 -14.824 -5.840 -5.192 819 H ALA 109 H ALA 109 -12.392 -2.741 -5.616 820 HA ALA 109 HA ALA 109 -15.086 -2.907 -6.698 821 HB1 ALA 109 HB1 ALA 109 -15.018 -0.766 -5.533 822 HB2 ALA 109 HB2 ALA 109 -15.112 -0.531 -7.278 823 HB3 ALA 109 HB3 ALA 109 -13.574 -0.321 -6.441 824 H ASP 110 H ASP 110 -11.866 -1.836 -7.160 825 HA ASP 110 HA ASP 110 -10.302 -2.149 -8.759 826 HB2 ASP 110 HB2 ASP 110 -11.029 -4.479 -8.849 827 HB3 ASP 110 HB3 ASP 110 -12.274 -4.050 -10.018 828 H SER 111 H SER 111 -9.710 -0.853 -10.306 829 HA SER 111 HA SER 111 -11.787 0.458 -11.900 830 HG SER 111 HG SER 111 -11.383 2.143 -10.273 831 HB2 SER 111 HB2 SER 111 -8.917 1.294 -11.404 832 HB3 SER 111 HB3 SER 111 -10.132 2.231 -12.277 833 H ASP 112 H ASP 112 -8.363 0.156 -12.680 834 HA ASP 112 HA ASP 112 -8.954 -1.734 -14.812 835 HB2 ASP 112 HB2 ASP 112 -9.293 0.407 -15.905 836 HB3 ASP 112 HB3 ASP 112 -7.739 0.989 -15.312 837 H VAL 113 H VAL 113 -7.627 -3.287 -14.156 838 HA VAL 113 HA VAL 113 -4.792 -2.592 -13.721 839 HB VAL 113 HB VAL 113 -6.325 -5.011 -12.729 840 HG11 VAL 113 HG11 VAL 113 -4.288 -5.578 -11.493 841 HG12 VAL 113 HG12 VAL 113 -3.450 -4.228 -12.259 842 HG13 VAL 113 HG13 VAL 113 -4.012 -5.586 -13.234 843 HG21 VAL 113 HG21 VAL 113 -5.194 -2.650 -11.236 844 HG22 VAL 113 HG22 VAL 113 -5.931 -4.070 -10.495 845 HG23 VAL 113 HG23 VAL 113 -6.902 -2.996 -11.504 846 H ALA 114 H ALA 114 -3.228 -3.726 -14.875 847 HA ALA 114 HA ALA 114 -4.082 -4.750 -17.402 848 HB1 ALA 114 HB1 ALA 114 -1.327 -4.753 -16.167 849 HB2 ALA 114 HB2 ALA 114 -2.007 -3.469 -17.168 850 HB3 ALA 114 HB3 ALA 114 -1.707 -5.063 -17.860 851 H VAL 115 H VAL 115 -4.671 -6.749 -17.854 852 HA VAL 115 HA VAL 115 -4.374 -8.826 -15.863 853 HB VAL 115 HB VAL 115 -5.648 -8.999 -18.602 854 HG11 VAL 115 HG11 VAL 115 -5.079 -11.170 -17.657 855 HG12 VAL 115 HG12 VAL 115 -6.826 -10.938 -17.685 856 HG13 VAL 115 HG13 VAL 115 -5.937 -10.763 -16.171 857 HG21 VAL 115 HG21 VAL 115 -6.929 -8.410 -15.936 858 HG22 VAL 115 HG22 VAL 115 -7.782 -8.669 -17.459 859 HG23 VAL 115 HG23 VAL 115 -6.723 -7.272 -17.268 860 H ASP 116 H ASP 116 -3.100 -10.601 -16.010 861 HA ASP 116 HA ASP 116 -0.785 -10.502 -17.632 862 HB2 ASP 116 HB2 ASP 116 -1.908 -12.787 -15.998 863 HB3 ASP 116 HB3 ASP 116 -0.290 -12.742 -16.693 864 H ASN 117 H ASN 117 -0.067 -12.410 -18.950 865 HA ASN 117 HA ASN 117 -2.289 -13.377 -20.631 866 HB2 ASN 117 HB2 ASN 117 0.469 -12.477 -21.502 867 HB3 ASN 117 HB3 ASN 117 -0.662 -13.328 -22.547 868 HD21 ASN 117 HD21 ASN 117 0.056 -10.345 -20.922 869 HD22 ASN 117 HD22 ASN 117 -1.112 -9.380 -21.758 870 H SER 118 H SER 118 -2.392 -15.320 -19.481 871 HA SER 118 HA SER 118 -0.055 -16.979 -19.194 872 HG SER 118 HG SER 118 -1.068 -18.603 -16.987 873 HB2 SER 118 HB2 SER 118 -2.101 -16.905 -17.626 874 HB3 SER 118 HB3 SER 118 -2.918 -17.879 -18.846 875 H GLN 119 H GLN 119 0.246 -16.628 -21.609 876 HA GLN 119 HA GLN 119 -1.391 -17.908 -23.505 877 HB2 GLN 119 HB2 GLN 119 1.526 -17.140 -23.567 878 HB3 GLN 119 HB3 GLN 119 0.680 -17.805 -24.957 879 HG2 GLN 119 HG2 GLN 119 -0.043 -15.259 -23.523 880 HG3 GLN 119 HG3 GLN 119 0.836 -15.370 -25.047 881 HE21 GLN 119 HE21 GLN 119 -1.690 -14.062 -24.475 882 HE22 GLN 119 HE22 GLN 119 -2.855 -14.782 -25.527 883 HA PRO 120 HA PRO 120 -0.274 -22.139 -22.715 884 HB2 PRO 120 HB2 PRO 120 -1.642 -23.253 -24.745 885 HB3 PRO 120 HB3 PRO 120 -2.454 -22.576 -23.327 886 HG2 PRO 120 HG2 PRO 120 -2.065 -21.376 -26.041 887 HG3 PRO 120 HG3 PRO 120 -3.508 -21.371 -25.010 888 HD2 PRO 120 HD2 PRO 120 -1.782 -19.259 -25.205 889 HD3 PRO 120 HD3 PRO 120 -2.763 -19.595 -23.765 890 H LEU 121 H LEU 121 0.322 -24.070 -24.321 891 HA LEU 121 HA LEU 121 2.835 -23.406 -25.428 892 HG LEU 121 HG LEU 121 1.944 -25.546 -23.418 893 HB2 LEU 121 HB2 LEU 121 1.139 -25.883 -25.720 894 HB3 LEU 121 HB3 LEU 121 2.784 -25.749 -26.312 895 HD11 LEU 121 HD11 LEU 121 3.077 -27.699 -23.174 896 HD12 LEU 121 HD12 LEU 121 3.373 -27.743 -24.912 897 HD13 LEU 121 HD13 LEU 121 1.721 -27.808 -24.297 898 HD21 LEU 121 HD21 LEU 121 4.364 -25.612 -22.972 899 HD22 LEU 121 HD22 LEU 121 3.890 -24.175 -23.879 900 HD23 LEU 121 HD23 LEU 121 4.671 -25.521 -24.707 901 HA PRO 122 HA PRO 122 1.379 -22.148 -29.475 902 HB2 PRO 122 HB2 PRO 122 4.130 -21.581 -30.126 903 HB3 PRO 122 HB3 PRO 122 2.832 -20.438 -29.779 904 HG2 PRO 122 HG2 PRO 122 5.010 -20.835 -28.159 905 HG3 PRO 122 HG3 PRO 122 3.450 -20.211 -27.597 906 HD2 PRO 122 HD2 PRO 122 4.573 -22.978 -27.399 907 HD3 PRO 122 HD3 PRO 122 3.620 -22.057 -26.213 908 H LEU 123 H LEU 123 1.765 -24.900 -28.981 909 HA LEU 123 HA LEU 123 3.697 -26.138 -30.568 910 HG LEU 123 HG LEU 123 0.537 -26.144 -28.762 911 HB2 LEU 123 HB2 LEU 123 2.024 -28.087 -30.522 912 HB3 LEU 123 HB3 LEU 123 2.690 -27.523 -29.004 913 HD11 LEU 123 HD11 LEU 123 -0.245 -26.324 -31.060 914 HD12 LEU 123 HD12 LEU 123 -1.417 -27.024 -29.943 915 HD13 LEU 123 HD13 LEU 123 -0.369 -28.075 -30.894 916 HD21 LEU 123 HD21 LEU 123 -0.669 -28.047 -27.829 917 HD22 LEU 123 HD22 LEU 123 1.047 -28.121 -27.427 918 HD23 LEU 123 HD23 LEU 123 0.392 -29.154 -28.698 919 H GLU 124 H GLU 124 3.173 -27.552 -32.481 920 HA GLU 124 HA GLU 124 2.724 -25.931 -34.676 921 HB2 GLU 124 HB2 GLU 124 2.431 -28.930 -34.534 922 HB3 GLU 124 HB3 GLU 124 2.642 -27.988 -36.002 923 HG2 GLU 124 HG2 GLU 124 4.840 -27.242 -35.154 924 HG3 GLU 124 HG3 GLU 124 4.629 -28.313 -33.768 925 H HIS 125 H HIS 125 1.008 -25.072 -35.479 926 HA HIS 125 HA HIS 125 -1.353 -26.559 -36.046 927 HD1 HIS 125 HD1 HIS 125 -2.135 -27.759 -33.259 928 HD2 HIS 125 HD2 HIS 125 -4.819 -25.212 -35.151 929 HE1 HIS 125 HE1 HIS 125 -4.348 -28.945 -33.198 930 HE2 HIS 125 HE2 HIS 125 -5.899 -27.487 -34.545 931 HB2 HIS 125 HB2 HIS 125 -1.330 -25.233 -33.549 932 HB3 HIS 125 HB3 HIS 125 -2.311 -24.236 -34.621 933 H HIS 126 H HIS 126 -1.975 -25.828 -37.985 934 HA HIS 126 HA HIS 126 -0.539 -23.675 -39.128 935 HD1 HIS 126 HD1 HIS 126 -3.035 -27.312 -39.920 936 HD2 HIS 126 HD2 HIS 126 -4.550 -23.621 -41.101 937 HE1 HIS 126 HE1 HIS 126 -5.496 -27.674 -40.294 938 HE2 HIS 126 HE2 HIS 126 -6.341 -25.484 -41.220 939 HB2 HIS 126 HB2 HIS 126 -1.726 -24.117 -41.183 940 HB3 HIS 126 HB3 HIS 126 -1.234 -25.633 -40.448 941 H HIS 127 H HIS 127 -1.096 -21.688 -39.712 942 HA HIS 127 HA HIS 127 -3.748 -20.633 -39.531 943 HD1 HIS 127 HD1 HIS 127 -2.165 -17.114 -37.716 944 HD2 HIS 127 HD2 HIS 127 -5.615 -19.417 -37.327 945 HE1 HIS 127 HE1 HIS 127 -4.039 -15.481 -37.309 946 HE2 HIS 127 HE2 HIS 127 -6.128 -16.885 -37.190 947 HB2 HIS 127 HB2 HIS 127 -3.028 -20.650 -37.118 948 HB3 HIS 127 HB3 HIS 127 -1.691 -19.595 -37.557 949 H HIS 128 H HIS 128 -3.879 -18.956 -40.964 950 HA HIS 128 HA HIS 128 -1.637 -18.405 -42.594 951 HD1 HIS 128 HD1 HIS 128 -3.250 -14.578 -43.209 952 HD2 HIS 128 HD2 HIS 128 -5.952 -17.097 -41.289 953 HE1 HIS 128 HE1 HIS 128 -4.949 -13.063 -42.134 954 HE2 HIS 128 HE2 HIS 128 -6.608 -14.605 -41.031 955 HB2 HIS 128 HB2 HIS 128 -3.032 -17.043 -43.885 956 HB3 HIS 128 HB3 HIS 128 -4.154 -18.196 -43.179 957 H HIS 129 H HIS 129 -0.255 -16.679 -42.710 958 HA HIS 129 HA HIS 129 -0.018 -15.158 -40.229 959 HD1 HIS 129 HD1 HIS 129 3.560 -17.313 -42.309 960 HD2 HIS 129 HD2 HIS 129 1.284 -16.718 -38.882 961 HE1 HIS 129 HE1 HIS 129 4.146 -19.211 -40.771 962 HE2 HIS 129 HE2 HIS 129 2.847 -18.771 -38.658 963 HB2 HIS 129 HB2 HIS 129 1.876 -15.465 -42.572 964 HB3 HIS 129 HB3 HIS 129 2.219 -14.513 -41.129 965 H HIS 130 H HIS 130 1.172 -12.862 -40.931 966 HA HIS 130 HA HIS 130 -1.009 -11.373 -42.054 967 HD1 HIS 130 HD1 HIS 130 2.538 -8.743 -42.458 968 HD2 HIS 130 HD2 HIS 130 2.764 -11.769 -39.610 969 HE1 HIS 130 HE1 HIS 130 4.989 -9.033 -41.968 970 HE2 HIS 130 HE2 HIS 130 5.082 -10.723 -40.105 971 HB2 HIS 130 HB2 HIS 130 0.296 -9.376 -41.524 972 HB3 HIS 130 HB3 HIS 130 0.251 -10.464 -40.146 Start of MODEL 14 1 HA MET 1 HA MET 1 -24.193 -4.300 0.843 2 H1 MET 1 H1 MET 1 -25.705 -4.111 -1.000 3 H2 MET 1 H2 MET 1 -26.327 -5.183 0.157 4 H3 MET 1 H3 MET 1 -25.640 -5.783 -1.275 5 HB2 MET 1 HB2 MET 1 -24.875 -6.589 1.506 6 HB3 MET 1 HB3 MET 1 -24.078 -7.227 0.074 7 HG2 MET 1 HG2 MET 1 -21.940 -6.264 0.942 8 HG3 MET 1 HG3 MET 1 -22.796 -5.876 2.433 9 HE1 MET 1 HE1 MET 1 -22.052 -10.156 0.870 10 HE2 MET 1 HE2 MET 1 -21.437 -8.695 0.095 11 HE3 MET 1 HE3 MET 1 -23.168 -9.034 0.089 12 H SER 2 H SER 2 -22.015 -3.919 0.422 13 HA SER 2 HA SER 2 -21.247 -4.037 -2.372 14 HG SER 2 HG SER 2 -19.001 -2.699 0.601 15 HB2 SER 2 HB2 SER 2 -19.174 -2.840 -1.472 16 HB3 SER 2 HB3 SER 2 -20.709 -1.984 -1.317 17 H GLN 3 H GLN 3 -18.774 -4.646 -2.670 18 HA GLN 3 HA GLN 3 -18.704 -7.447 -2.011 19 HB2 GLN 3 HB2 GLN 3 -16.816 -5.740 -3.634 20 HB3 GLN 3 HB3 GLN 3 -16.626 -7.468 -3.410 21 HG2 GLN 3 HG2 GLN 3 -17.612 -7.210 -5.514 22 HG3 GLN 3 HG3 GLN 3 -18.918 -7.722 -4.450 23 HE21 GLN 3 HE21 GLN 3 -17.522 -5.026 -6.177 24 HE22 GLN 3 HE22 GLN 3 -18.953 -4.053 -6.207 25 H TRP 4 H TRP 4 -18.413 -7.236 0.300 26 HA TRP 4 HA TRP 4 -15.900 -6.198 1.274 27 HD1 TRP 4 HD1 TRP 4 -20.135 -6.267 2.533 28 HE1 TRP 4 HE1 TRP 4 -20.621 -3.783 3.008 29 HE3 TRP 4 HE3 TRP 4 -15.348 -4.652 3.320 30 HZ2 TRP 4 HZ2 TRP 4 -19.150 -1.439 3.639 31 HZ3 TRP 4 HZ3 TRP 4 -14.972 -2.277 3.850 32 HH2 TRP 4 HH2 TRP 4 -16.835 -0.708 4.004 33 HB2 TRP 4 HB2 TRP 4 -18.067 -7.782 2.670 34 HB3 TRP 4 HB3 TRP 4 -16.650 -7.110 3.470 35 H THR 5 H THR 5 -14.073 -7.259 1.013 36 HA THR 5 HA THR 5 -14.127 -10.204 1.167 37 HB THR 5 HB THR 5 -12.221 -8.559 -0.510 38 HG1 THR 5 HG1 THR 5 -14.436 -8.516 -1.267 39 HG21 THR 5 HG21 THR 5 -12.767 -11.532 -0.406 40 HG22 THR 5 HG22 THR 5 -11.315 -10.720 0.178 41 HG23 THR 5 HG23 THR 5 -11.688 -10.730 -1.547 42 H THR 6 H THR 6 -12.670 -11.160 2.506 43 HA THR 6 HA THR 6 -11.155 -9.460 4.291 44 HB THR 6 HB THR 6 -11.282 -12.484 4.178 45 HG1 THR 6 HG1 THR 6 -13.192 -10.786 4.829 46 HG21 THR 6 HG21 THR 6 -9.352 -11.630 5.421 47 HG22 THR 6 HG22 THR 6 -10.523 -12.379 6.505 48 HG23 THR 6 HG23 THR 6 -10.423 -10.622 6.397 49 H VAL 7 H VAL 7 -8.972 -9.163 4.272 50 HA VAL 7 HA VAL 7 -7.452 -10.485 2.137 51 HB VAL 7 HB VAL 7 -6.548 -8.212 3.916 52 HG11 VAL 7 HG11 VAL 7 -4.724 -9.457 2.906 53 HG12 VAL 7 HG12 VAL 7 -4.865 -7.862 2.163 54 HG13 VAL 7 HG13 VAL 7 -5.465 -9.288 1.314 55 HG21 VAL 7 HG21 VAL 7 -7.738 -8.103 1.148 56 HG22 VAL 7 HG22 VAL 7 -7.036 -6.739 2.020 57 HG23 VAL 7 HG23 VAL 7 -8.494 -7.522 2.631 58 H CYS 8 H CYS 8 -6.507 -9.341 5.354 59 HA CYS 8 HA CYS 8 -5.808 -12.004 6.244 60 HG CYS 8 HG CYS 8 -4.580 -12.112 3.779 61 HB2 CYS 8 HB2 CYS 8 -3.699 -9.858 5.875 62 HB3 CYS 8 HB3 CYS 8 -3.451 -11.363 6.752 63 H LYS 9 H LYS 9 -4.436 -11.524 8.480 64 HA LYS 9 HA LYS 9 -6.237 -10.133 10.195 65 HB2 LYS 9 HB2 LYS 9 -3.462 -11.231 10.640 66 HB3 LYS 9 HB3 LYS 9 -4.380 -10.429 11.902 67 HG2 LYS 9 HG2 LYS 9 -6.143 -12.154 11.641 68 HG3 LYS 9 HG3 LYS 9 -5.093 -12.988 10.489 69 HD2 LYS 9 HD2 LYS 9 -3.379 -13.233 12.177 70 HD3 LYS 9 HD3 LYS 9 -4.342 -12.309 13.329 71 HE2 LYS 9 HE2 LYS 9 -6.085 -14.056 13.214 72 HE3 LYS 9 HE3 LYS 9 -5.042 -14.990 12.142 73 HZ1 LYS 9 HZ1 LYS 9 -4.880 -15.725 14.448 74 HZ2 LYS 9 HZ2 LYS 9 -4.354 -14.182 14.915 75 HZ3 LYS 9 HZ3 LYS 9 -3.396 -15.126 13.887 76 H LEU 10 H LEU 10 -6.157 -8.114 11.010 77 HA LEU 10 HA LEU 10 -4.169 -6.248 10.018 78 HG LEU 10 HG LEU 10 -4.831 -3.925 10.219 79 HB2 LEU 10 HB2 LEU 10 -6.657 -5.755 10.420 80 HB3 LEU 10 HB3 LEU 10 -6.269 -5.747 12.126 81 HD11 LEU 10 HD11 LEU 10 -6.486 -2.201 10.765 82 HD12 LEU 10 HD12 LEU 10 -7.457 -3.411 11.602 83 HD13 LEU 10 HD13 LEU 10 -7.196 -3.540 9.864 84 HD21 LEU 10 HD21 LEU 10 -5.477 -3.739 13.161 85 HD22 LEU 10 HD22 LEU 10 -4.584 -2.542 12.222 86 HD23 LEU 10 HD23 LEU 10 -3.908 -4.153 12.468 87 H ASP 11 H ASP 11 -4.850 -8.192 12.738 88 HA ASP 11 HA ASP 11 -3.365 -6.829 14.717 89 HB2 ASP 11 HB2 ASP 11 -5.156 -8.481 15.192 90 HB3 ASP 11 HB3 ASP 11 -4.117 -9.757 14.567 91 H ASP 12 H ASP 12 -2.535 -9.011 12.175 92 HA ASP 12 HA ASP 12 0.099 -9.572 13.274 93 HB2 ASP 12 HB2 ASP 12 -1.213 -11.333 12.061 94 HB3 ASP 12 HB3 ASP 12 -1.038 -10.387 10.588 95 H ILE 13 H ILE 13 -1.357 -7.126 11.576 96 HA ILE 13 HA ILE 13 0.856 -6.430 9.860 97 HB ILE 13 HB ILE 13 -1.525 -4.768 10.715 98 HG12 ILE 13 HG12 ILE 13 -0.988 -6.273 8.144 99 HG13 ILE 13 HG13 ILE 13 -2.116 -6.775 9.399 100 HG21 ILE 13 HG21 ILE 13 0.335 -3.356 10.047 101 HG22 ILE 13 HG22 ILE 13 -0.938 -3.315 8.825 102 HG23 ILE 13 HG23 ILE 13 0.516 -4.275 8.553 103 HD11 ILE 13 HD11 ILE 13 -3.266 -5.738 7.526 104 HD12 ILE 13 HD12 ILE 13 -2.321 -4.266 7.747 105 HD13 ILE 13 HD13 ILE 13 -3.455 -4.780 8.995 106 H LEU 14 H LEU 14 2.571 -5.227 10.348 107 HA LEU 14 HA LEU 14 3.139 -4.691 13.095 108 HG LEU 14 HG LEU 14 4.396 -6.436 10.838 109 HB2 LEU 14 HB2 LEU 14 4.684 -3.988 10.601 110 HB3 LEU 14 HB3 LEU 14 5.305 -3.921 12.236 111 HD11 LEU 14 HD11 LEU 14 7.174 -5.432 11.431 112 HD12 LEU 14 HD12 LEU 14 6.419 -5.517 9.839 113 HD13 LEU 14 HD13 LEU 14 6.764 -6.999 10.733 114 HD21 LEU 14 HD21 LEU 14 4.126 -6.508 13.275 115 HD22 LEU 14 HD22 LEU 14 5.820 -6.060 13.470 116 HD23 LEU 14 HD23 LEU 14 5.397 -7.599 12.721 117 HA PRO 15 HA PRO 15 1.800 -0.459 13.275 118 HB2 PRO 15 HB2 PRO 15 3.678 -0.155 15.504 119 HB3 PRO 15 HB3 PRO 15 1.917 -0.057 15.508 120 HG2 PRO 15 HG2 PRO 15 3.246 -2.109 16.642 121 HG3 PRO 15 HG3 PRO 15 1.660 -2.315 15.877 122 HD2 PRO 15 HD2 PRO 15 4.380 -2.971 14.809 123 HD3 PRO 15 HD3 PRO 15 2.867 -3.895 14.682 124 H GLY 16 H GLY 16 2.502 1.073 11.965 125 HA2 GLY 16 HA2 GLY 16 3.932 2.881 11.457 126 HA3 GLY 16 HA3 GLY 16 5.267 2.010 12.196 127 H THR 17 H THR 17 3.077 0.527 9.849 128 HA THR 17 HA THR 17 5.226 0.651 7.855 129 HB THR 17 HB THR 17 5.141 -1.756 7.410 130 HG1 THR 17 HG1 THR 17 3.443 -1.870 9.710 131 HG21 THR 17 HG21 THR 17 6.860 -0.965 8.944 132 HG22 THR 17 HG22 THR 17 6.291 -2.563 9.430 133 HG23 THR 17 HG23 THR 17 5.747 -1.130 10.304 134 H GLY 18 H GLY 18 4.413 -0.744 5.852 135 HA2 GLY 18 HA2 GLY 18 1.559 -0.675 5.408 136 HA3 GLY 18 HA3 GLY 18 2.477 0.491 4.456 137 H VAL 19 H VAL 19 1.051 -2.341 4.054 138 HA VAL 19 HA VAL 19 3.299 -3.500 2.558 139 HB VAL 19 HB VAL 19 2.396 -5.758 3.043 140 HG11 VAL 19 HG11 VAL 19 4.264 -4.885 4.330 141 HG12 VAL 19 HG12 VAL 19 3.217 -5.861 5.360 142 HG13 VAL 19 HG13 VAL 19 3.151 -4.101 5.450 143 HG21 VAL 19 HG21 VAL 19 0.085 -5.113 3.546 144 HG22 VAL 19 HG22 VAL 19 0.632 -4.295 5.010 145 HG23 VAL 19 HG23 VAL 19 0.795 -6.045 4.865 146 H CYS 20 H CYS 20 2.974 -4.421 0.603 147 HA CYS 20 HA CYS 20 0.627 -3.766 -0.873 148 HG CYS 20 HG CYS 20 2.489 -5.214 -4.294 149 HB2 CYS 20 HB2 CYS 20 2.845 -3.889 -1.923 150 HB3 CYS 20 HB3 CYS 20 2.950 -5.599 -1.525 151 H ALA 21 H ALA 21 -1.231 -4.771 -0.476 152 HA ALA 21 HA ALA 21 -1.195 -7.635 0.175 153 HB1 ALA 21 HB1 ALA 21 -3.435 -7.294 1.075 154 HB2 ALA 21 HB2 ALA 21 -3.398 -5.607 0.559 155 HB3 ALA 21 HB3 ALA 21 -2.290 -6.174 1.809 156 H LEU 22 H LEU 22 -1.894 -9.063 -1.268 157 HA LEU 22 HA LEU 22 -3.115 -8.155 -3.743 158 HG LEU 22 HG LEU 22 -1.984 -11.306 -5.357 159 HB2 LEU 22 HB2 LEU 22 -1.278 -9.897 -3.619 160 HB3 LEU 22 HB3 LEU 22 -2.445 -10.978 -2.891 161 HD11 LEU 22 HD11 LEU 22 -4.323 -11.724 -5.933 162 HD12 LEU 22 HD12 LEU 22 -4.834 -10.778 -4.535 163 HD13 LEU 22 HD13 LEU 22 -3.941 -12.281 -4.304 164 HD21 LEU 22 HD21 LEU 22 -3.138 -9.821 -6.917 165 HD22 LEU 22 HD22 LEU 22 -1.896 -8.962 -6.006 166 HD23 LEU 22 HD23 LEU 22 -3.596 -8.767 -5.578 167 H VAL 23 H VAL 23 -5.228 -7.724 -3.600 168 HA VAL 23 HA VAL 23 -6.888 -9.480 -1.923 169 HB VAL 23 HB VAL 23 -7.705 -6.794 -3.019 170 HG11 VAL 23 HG11 VAL 23 -8.780 -8.460 -0.745 171 HG12 VAL 23 HG12 VAL 23 -9.522 -8.268 -2.334 172 HG13 VAL 23 HG13 VAL 23 -9.388 -6.883 -1.250 173 HG21 VAL 23 HG21 VAL 23 -5.733 -6.464 -1.637 174 HG22 VAL 23 HG22 VAL 23 -6.470 -7.397 -0.334 175 HG23 VAL 23 HG23 VAL 23 -7.171 -5.853 -0.817 176 H GLU 24 H GLU 24 -7.129 -11.118 -3.393 177 HA GLU 24 HA GLU 24 -8.289 -12.343 -4.884 178 HB2 GLU 24 HB2 GLU 24 -9.957 -9.858 -5.297 179 HB3 GLU 24 HB3 GLU 24 -10.370 -11.477 -5.845 180 HG2 GLU 24 HG2 GLU 24 -10.124 -10.544 -2.994 181 HG3 GLU 24 HG3 GLU 24 -11.604 -10.962 -3.855 182 H GLN 25 H GLN 25 -8.262 -9.097 -6.378 183 HA GLN 25 HA GLN 25 -6.794 -10.264 -8.635 184 HB2 GLN 25 HB2 GLN 25 -9.349 -10.163 -8.944 185 HB3 GLN 25 HB3 GLN 25 -9.128 -8.424 -9.069 186 HG2 GLN 25 HG2 GLN 25 -9.151 -9.141 -11.264 187 HG3 GLN 25 HG3 GLN 25 -7.438 -8.950 -10.905 188 HE21 GLN 25 HE21 GLN 25 -7.422 -11.462 -9.301 189 HE22 GLN 25 HE22 GLN 25 -7.431 -12.736 -10.468 190 H GLN 26 H GLN 26 -7.347 -7.607 -6.522 191 HA GLN 26 HA GLN 26 -5.635 -5.916 -8.202 192 HB2 GLN 26 HB2 GLN 26 -6.702 -3.980 -7.009 193 HB3 GLN 26 HB3 GLN 26 -7.749 -4.860 -8.106 194 HG2 GLN 26 HG2 GLN 26 -8.783 -6.004 -6.225 195 HG3 GLN 26 HG3 GLN 26 -7.691 -5.183 -5.112 196 HE21 GLN 26 HE21 GLN 26 -9.081 -3.608 -7.898 197 HE22 GLN 26 HE22 GLN 26 -10.136 -2.555 -7.027 198 H GLN 27 H GLN 27 -4.094 -4.591 -7.186 199 HA GLN 27 HA GLN 27 -3.160 -5.651 -4.610 200 HB2 GLN 27 HB2 GLN 27 -1.689 -4.116 -6.758 201 HB3 GLN 27 HB3 GLN 27 -0.978 -4.640 -5.238 202 HG2 GLN 27 HG2 GLN 27 -1.361 -6.966 -5.856 203 HG3 GLN 27 HG3 GLN 27 -2.091 -6.445 -7.374 204 HE21 GLN 27 HE21 GLN 27 0.860 -6.735 -5.559 205 HE22 GLN 27 HE22 GLN 27 1.934 -6.501 -6.892 206 H ILE 28 H ILE 28 -3.267 -4.443 -2.849 207 HA ILE 28 HA ILE 28 -3.509 -1.508 -3.117 208 HB ILE 28 HB ILE 28 -5.077 -3.281 -1.218 209 HG12 ILE 28 HG12 ILE 28 -7.004 -1.995 -2.482 210 HG13 ILE 28 HG13 ILE 28 -5.793 -1.875 -3.752 211 HG21 ILE 28 HG21 ILE 28 -4.438 -1.189 -0.166 212 HG22 ILE 28 HG22 ILE 28 -6.175 -1.244 -0.471 213 HG23 ILE 28 HG23 ILE 28 -5.126 -0.291 -1.520 214 HD11 ILE 28 HD11 ILE 28 -6.786 -4.426 -2.511 215 HD12 ILE 28 HD12 ILE 28 -5.595 -4.294 -3.803 216 HD13 ILE 28 HD13 ILE 28 -7.258 -3.780 -4.082 217 H ALA 29 H ALA 29 -2.463 -0.317 -1.563 218 HA ALA 29 HA ALA 29 -0.551 -1.755 0.115 219 HB1 ALA 29 HB1 ALA 29 0.306 0.079 -1.251 220 HB2 ALA 29 HB2 ALA 29 0.465 0.451 0.466 221 HB3 ALA 29 HB3 ALA 29 -0.825 1.193 -0.480 222 H VAL 30 H VAL 30 -0.888 -2.036 2.235 223 HA VAL 30 HA VAL 30 -3.162 -0.561 3.431 224 HB VAL 30 HB VAL 30 -1.903 -3.145 4.385 225 HG11 VAL 30 HG11 VAL 30 -2.943 -1.892 6.181 226 HG12 VAL 30 HG12 VAL 30 -3.905 -3.317 5.794 227 HG13 VAL 30 HG13 VAL 30 -4.423 -1.726 5.237 228 HG21 VAL 30 HG21 VAL 30 -2.997 -3.497 2.247 229 HG22 VAL 30 HG22 VAL 30 -4.458 -2.707 2.840 230 HG23 VAL 30 HG23 VAL 30 -3.935 -4.239 3.542 231 H PHE 31 H PHE 31 -2.406 1.179 4.388 232 HA PHE 31 HA PHE 31 0.154 1.250 5.722 233 HD1 PHE 31 HD2 PHE 31 -1.885 2.824 2.977 234 HD2 PHE 31 HD1 PHE 31 1.335 4.292 5.334 235 HE1 PHE 31 HE2 PHE 31 -0.778 3.641 0.942 236 HE2 PHE 31 HE1 PHE 31 2.448 5.122 3.303 237 HZ PHE 31 HZ PHE 31 1.391 4.793 1.105 238 HB2 PHE 31 HB2 PHE 31 -2.074 3.269 5.449 239 HB3 PHE 31 HB3 PHE 31 -0.610 3.576 6.369 240 H ARG 32 H ARG 32 0.503 0.770 7.803 241 HA ARG 32 HA ARG 32 -1.598 1.556 9.688 242 HE ARG 32 HE ARG 32 -1.704 -0.752 14.079 243 HB2 ARG 32 HB2 ARG 32 -1.479 -0.933 9.629 244 HB3 ARG 32 HB3 ARG 32 0.217 -0.829 10.093 245 HG2 ARG 32 HG2 ARG 32 -0.437 0.288 12.182 246 HG3 ARG 32 HG3 ARG 32 -2.131 0.124 11.726 247 HD2 ARG 32 HD2 ARG 32 -1.874 -2.322 11.724 248 HD3 ARG 32 HD3 ARG 32 -0.190 -2.134 12.218 249 HH11 ARG 32 HH11 ARG 32 -1.397 -4.081 13.010 250 HH12 ARG 32 HH12 ARG 32 -1.920 -4.736 14.526 251 HH21 ARG 32 HH21 ARG 32 -2.355 -1.651 16.085 252 HH22 ARG 32 HH22 ARG 32 -2.455 -3.379 16.255 253 HA PRO 33 HA PRO 33 2.374 3.747 10.464 254 HB2 PRO 33 HB2 PRO 33 1.371 6.246 10.587 255 HB3 PRO 33 HB3 PRO 33 1.741 5.457 9.050 256 HG2 PRO 33 HG2 PRO 33 -0.893 5.821 10.408 257 HG3 PRO 33 HG3 PRO 33 -0.492 5.961 8.688 258 HD2 PRO 33 HD2 PRO 33 -1.664 3.751 9.821 259 HD3 PRO 33 HD3 PRO 33 -0.696 3.711 8.335 260 H ARG 34 H ARG 34 -0.680 3.639 12.019 261 HA ARG 34 HA ARG 34 0.402 4.706 14.524 262 HE ARG 34 HE ARG 34 -3.238 6.110 15.912 263 HB2 ARG 34 HB2 ARG 34 -2.427 4.057 13.668 264 HB3 ARG 34 HB3 ARG 34 -1.989 4.601 15.280 265 HG2 ARG 34 HG2 ARG 34 -1.231 6.715 14.415 266 HG3 ARG 34 HG3 ARG 34 -1.498 6.169 12.757 267 HD2 ARG 34 HD2 ARG 34 -3.312 7.629 13.627 268 HD3 ARG 34 HD3 ARG 34 -3.871 6.034 13.123 269 HH11 ARG 34 HH11 ARG 34 -5.711 7.030 13.586 270 HH12 ARG 34 HH12 ARG 34 -7.010 6.891 14.735 271 HH21 ARG 34 HH21 ARG 34 -4.954 5.901 17.400 272 HH22 ARG 34 HH22 ARG 34 -6.575 6.287 16.904 273 H ASN 35 H ASN 35 -0.179 3.485 16.528 274 HA ASN 35 HA ASN 35 0.406 0.680 16.173 275 HB2 ASN 35 HB2 ASN 35 0.694 0.569 18.517 276 HB3 ASN 35 HB3 ASN 35 1.289 2.162 18.068 277 HD21 ASN 35 HD21 ASN 35 -1.125 0.380 19.759 278 HD22 ASN 35 HD22 ASN 35 -1.894 1.728 20.527 279 H ASP 36 H ASP 36 -2.328 2.532 16.143 280 HA ASP 36 HA ASP 36 -4.130 0.709 17.445 281 HB2 ASP 36 HB2 ASP 36 -4.509 3.242 15.861 282 HB3 ASP 36 HB3 ASP 36 -5.882 2.255 16.351 283 H GLU 37 H GLU 37 -6.157 0.076 16.178 284 HA GLU 37 HA GLU 37 -5.269 -1.503 13.919 285 HB2 GLU 37 HB2 GLU 37 -7.780 -1.432 15.572 286 HB3 GLU 37 HB3 GLU 37 -7.699 -2.358 14.079 287 HG2 GLU 37 HG2 GLU 37 -5.970 -3.741 14.929 288 HG3 GLU 37 HG3 GLU 37 -5.750 -2.704 16.337 289 H GLN 38 H GLN 38 -5.475 1.384 13.599 290 HA GLN 38 HA GLN 38 -7.628 1.587 11.620 291 HB2 GLN 38 HB2 GLN 38 -7.484 3.410 13.265 292 HB3 GLN 38 HB3 GLN 38 -5.834 3.738 12.760 293 HG2 GLN 38 HG2 GLN 38 -7.418 5.331 11.806 294 HG3 GLN 38 HG3 GLN 38 -6.596 4.392 10.561 295 HE21 GLN 38 HE21 GLN 38 -7.769 2.987 9.287 296 HE22 GLN 38 HE22 GLN 38 -9.496 2.937 9.302 297 H VAL 39 H VAL 39 -6.952 0.696 9.776 298 HA VAL 39 HA VAL 39 -4.258 1.343 8.807 299 HB VAL 39 HB VAL 39 -4.604 -0.509 7.178 300 HG11 VAL 39 HG11 VAL 39 -4.861 -1.246 10.093 301 HG12 VAL 39 HG12 VAL 39 -3.363 -0.875 9.237 302 HG13 VAL 39 HG13 VAL 39 -4.287 -2.315 8.809 303 HG21 VAL 39 HG21 VAL 39 -7.049 -0.509 7.139 304 HG22 VAL 39 HG22 VAL 39 -7.081 -1.063 8.813 305 HG23 VAL 39 HG23 VAL 39 -6.420 -2.104 7.551 306 H TYR 40 H TYR 40 -4.019 1.675 6.486 307 HA TYR 40 HA TYR 40 -6.345 3.009 5.267 308 HD1 TYR 40 HD1 TYR 40 -6.759 5.256 5.971 309 HD2 TYR 40 HD2 TYR 40 -2.586 5.006 6.764 310 HE1 TYR 40 HE1 TYR 40 -7.021 6.854 7.823 311 HE2 TYR 40 HE2 TYR 40 -2.836 6.599 8.620 312 HH TYR 40 HH TYR 40 -4.427 8.410 9.289 313 HB2 TYR 40 HB2 TYR 40 -3.434 3.800 5.033 314 HB3 TYR 40 HB3 TYR 40 -4.766 4.561 4.180 315 H ALA 41 H ALA 41 -6.978 1.477 3.827 316 HA ALA 41 HA ALA 41 -4.979 0.157 2.182 317 HB1 ALA 41 HB1 ALA 41 -6.845 -1.183 1.330 318 HB2 ALA 41 HB2 ALA 41 -7.975 -0.211 2.275 319 HB3 ALA 41 HB3 ALA 41 -6.775 -1.214 3.091 320 H ILE 42 H ILE 42 -4.214 1.697 0.805 321 HA ILE 42 HA ILE 42 -6.129 2.644 -1.220 322 HB ILE 42 HB ILE 42 -4.813 4.734 -1.465 323 HG12 ILE 42 HG12 ILE 42 -3.506 3.876 1.123 324 HG13 ILE 42 HG13 ILE 42 -2.719 3.911 -0.449 325 HG21 ILE 42 HG21 ILE 42 -6.021 4.306 1.263 326 HG22 ILE 42 HG22 ILE 42 -6.884 4.773 -0.204 327 HG23 ILE 42 HG23 ILE 42 -5.709 5.873 0.518 328 HD11 ILE 42 HD11 ILE 42 -3.003 6.327 -0.545 329 HD12 ILE 42 HD12 ILE 42 -2.117 5.840 0.902 330 HD13 ILE 42 HD13 ILE 42 -3.817 6.296 1.018 331 H SER 43 H SER 43 -5.034 3.184 -3.308 332 HA SER 43 HA SER 43 -3.156 1.103 -3.939 333 HG SER 43 HG SER 43 -5.135 0.642 -5.680 334 HB2 SER 43 HB2 SER 43 -4.233 3.313 -5.704 335 HB3 SER 43 HB3 SER 43 -3.407 1.849 -6.246 336 H ASN 44 H ASN 44 -1.380 1.765 -2.629 337 HA ASN 44 HA ASN 44 0.084 4.117 -3.670 338 HB2 ASN 44 HB2 ASN 44 -0.451 3.969 -1.176 339 HB3 ASN 44 HB3 ASN 44 0.700 2.639 -1.110 340 HD21 ASN 44 HD21 ASN 44 0.916 5.582 -3.058 341 HD22 ASN 44 HD22 ASN 44 2.344 6.181 -2.299 342 H ILE 45 H ILE 45 -0.184 1.281 -4.632 343 HA ILE 45 HA ILE 45 2.465 0.153 -4.381 344 HB ILE 45 HB ILE 45 0.182 -0.669 -6.199 345 HG12 ILE 45 HG12 ILE 45 -0.559 -0.755 -3.893 346 HG13 ILE 45 HG13 ILE 45 -0.289 -2.393 -4.477 347 HG21 ILE 45 HG21 ILE 45 2.641 -2.161 -5.300 348 HG22 ILE 45 HG22 ILE 45 2.308 -1.559 -6.924 349 HG23 ILE 45 HG23 ILE 45 1.317 -2.849 -6.242 350 HD11 ILE 45 HD11 ILE 45 0.531 -2.126 -2.213 351 HD12 ILE 45 HD12 ILE 45 1.580 -0.807 -2.734 352 HD13 ILE 45 HD13 ILE 45 1.863 -2.444 -3.324 353 H ASP 46 H ASP 46 4.042 1.188 -5.441 354 HA ASP 46 HA ASP 46 3.719 2.822 -7.699 355 HB2 ASP 46 HB2 ASP 46 5.671 2.953 -6.187 356 HB3 ASP 46 HB3 ASP 46 6.219 1.383 -6.772 357 HA PRO 47 HA PRO 47 3.037 -0.193 -10.835 358 HB2 PRO 47 HB2 PRO 47 3.898 1.871 -12.745 359 HB3 PRO 47 HB3 PRO 47 2.321 1.099 -12.564 360 HG2 PRO 47 HG2 PRO 47 2.720 3.653 -11.860 361 HG3 PRO 47 HG3 PRO 47 1.622 2.598 -10.949 362 HD2 PRO 47 HD2 PRO 47 4.433 3.420 -10.306 363 HD3 PRO 47 HD3 PRO 47 3.023 3.299 -9.232 364 H PHE 48 H PHE 48 6.073 1.085 -10.137 365 HA PHE 48 HA PHE 48 7.358 -0.620 -12.169 366 HD1 PHE 48 HD1 PHE 48 8.824 0.281 -14.063 367 HD2 PHE 48 HD2 PHE 48 10.835 1.371 -10.473 368 HE1 PHE 48 HE1 PHE 48 10.985 -0.214 -15.127 369 HE2 PHE 48 HE2 PHE 48 13.002 0.869 -11.529 370 HZ PHE 48 HZ PHE 48 13.078 0.079 -13.859 371 HB2 PHE 48 HB2 PHE 48 7.835 1.854 -12.209 372 HB3 PHE 48 HB3 PHE 48 8.563 1.687 -10.622 373 H ALA 49 H ALA 49 6.321 -0.831 -9.142 374 HA ALA 49 HA ALA 49 8.704 -2.273 -8.184 375 HB1 ALA 49 HB1 ALA 49 6.947 -0.506 -6.489 376 HB2 ALA 49 HB2 ALA 49 8.563 -0.096 -7.061 377 HB3 ALA 49 HB3 ALA 49 8.338 -1.437 -5.937 378 H GLN 50 H GLN 50 5.204 -1.928 -8.105 379 HA GLN 50 HA GLN 50 3.523 -3.378 -7.675 380 HB2 GLN 50 HB2 GLN 50 5.762 -5.283 -8.224 381 HB3 GLN 50 HB3 GLN 50 4.230 -5.903 -7.627 382 HG2 GLN 50 HG2 GLN 50 4.388 -6.020 -10.059 383 HG3 GLN 50 HG3 GLN 50 3.071 -4.974 -9.534 384 HE21 GLN 50 HE21 GLN 50 6.206 -5.120 -11.030 385 HE22 GLN 50 HE22 GLN 50 6.185 -3.515 -11.686 386 H ALA 51 H ALA 51 5.321 -2.322 -5.517 387 HA ALA 51 HA ALA 51 4.169 -3.888 -3.336 388 HB1 ALA 51 HB1 ALA 51 7.114 -3.234 -3.478 389 HB2 ALA 51 HB2 ALA 51 6.409 -4.838 -3.678 390 HB3 ALA 51 HB3 ALA 51 6.278 -4.005 -2.130 391 H SER 52 H SER 52 4.612 -2.691 -1.197 392 HA SER 52 HA SER 52 3.833 0.054 -1.601 393 HG SER 52 HG SER 52 1.737 -0.968 0.571 394 HB2 SER 52 HB2 SER 52 4.236 -1.548 0.932 395 HB3 SER 52 HB3 SER 52 3.534 0.069 0.852 396 H VAL 53 H VAL 53 6.131 0.189 -2.649 397 HA VAL 53 HA VAL 53 8.300 0.596 -0.785 398 HB VAL 53 HB VAL 53 9.581 1.376 -2.746 399 HG11 VAL 53 HG11 VAL 53 9.503 -0.999 -2.263 400 HG12 VAL 53 HG12 VAL 53 9.532 -0.736 -4.007 401 HG13 VAL 53 HG13 VAL 53 8.022 -1.165 -3.203 402 HG21 VAL 53 HG21 VAL 53 7.785 2.504 -3.949 403 HG22 VAL 53 HG22 VAL 53 7.001 0.954 -4.253 404 HG23 VAL 53 HG23 VAL 53 8.569 1.305 -4.979 405 H LEU 54 H LEU 54 5.796 2.480 -2.169 406 HA LEU 54 HA LEU 54 7.052 5.029 -1.693 407 HG LEU 54 HG LEU 54 5.468 3.557 -4.163 408 HB2 LEU 54 HB2 LEU 54 4.162 4.412 -2.302 409 HB3 LEU 54 HB3 LEU 54 4.941 5.973 -2.433 410 HD11 LEU 54 HD11 LEU 54 4.521 4.890 -5.946 411 HD12 LEU 54 HD12 LEU 54 4.273 6.240 -4.839 412 HD13 LEU 54 HD13 LEU 54 3.364 4.746 -4.622 413 HD21 LEU 54 HD21 LEU 54 7.532 4.795 -3.773 414 HD22 LEU 54 HD22 LEU 54 6.733 6.292 -4.256 415 HD23 LEU 54 HD23 LEU 54 6.975 5.001 -5.433 416 H SER 55 H SER 55 5.201 2.755 0.036 417 HA SER 55 HA SER 55 3.932 4.522 1.873 418 HG SER 55 HG SER 55 2.665 2.979 0.562 419 HB2 SER 55 HB2 SER 55 4.463 1.560 2.177 420 HB3 SER 55 HB3 SER 55 3.200 2.504 2.968 421 H ARG 56 H ARG 56 7.044 3.100 1.640 422 HA ARG 56 HA ARG 56 7.588 3.450 4.491 423 HE ARG 56 HE ARG 56 7.970 -1.615 4.646 424 HB2 ARG 56 HB2 ARG 56 9.193 2.158 2.276 425 HB3 ARG 56 HB3 ARG 56 9.731 2.277 3.948 426 HG2 ARG 56 HG2 ARG 56 7.877 0.920 4.684 427 HG3 ARG 56 HG3 ARG 56 7.215 0.884 3.049 428 HD2 ARG 56 HD2 ARG 56 9.163 -0.342 2.265 429 HD3 ARG 56 HD3 ARG 56 9.883 -0.256 3.875 430 HH11 ARG 56 HH11 ARG 56 8.860 -1.674 1.261 431 HH12 ARG 56 HH12 ARG 56 8.090 -3.207 0.962 432 HH21 ARG 56 HH21 ARG 56 6.972 -3.596 4.272 433 HH22 ARG 56 HH22 ARG 56 7.015 -4.308 2.684 434 H GLY 57 H GLY 57 7.220 5.682 2.606 435 HA2 GLY 57 HA2 GLY 57 9.886 6.843 2.396 436 HA3 GLY 57 HA3 GLY 57 8.395 7.537 1.773 437 H ILE 58 H ILE 58 8.840 9.538 2.668 438 HA ILE 58 HA ILE 58 9.272 9.775 5.535 439 HB ILE 58 HB ILE 58 8.932 11.973 3.483 440 HG12 ILE 58 HG12 ILE 58 11.509 10.821 4.577 441 HG13 ILE 58 HG13 ILE 58 10.837 10.404 3.005 442 HG21 ILE 58 HG21 ILE 58 10.114 11.994 6.259 443 HG22 ILE 58 HG22 ILE 58 8.567 12.692 5.783 444 HG23 ILE 58 HG23 ILE 58 10.067 13.365 5.149 445 HD11 ILE 58 HD11 ILE 58 12.579 12.055 2.770 446 HD12 ILE 58 HD12 ILE 58 11.742 13.132 3.889 447 HD13 ILE 58 HD13 ILE 58 11.021 12.752 2.324 448 H VAL 59 H VAL 59 7.491 9.362 6.674 449 HA VAL 59 HA VAL 59 4.880 10.227 5.895 450 HB VAL 59 HB VAL 59 5.887 9.184 8.548 451 HG11 VAL 59 HG11 VAL 59 3.801 10.434 8.803 452 HG12 VAL 59 HG12 VAL 59 3.524 8.708 9.033 453 HG13 VAL 59 HG13 VAL 59 3.063 9.480 7.516 454 HG21 VAL 59 HG21 VAL 59 6.188 7.577 6.743 455 HG22 VAL 59 HG22 VAL 59 4.497 7.761 6.281 456 HG23 VAL 59 HG23 VAL 59 4.913 7.048 7.839 457 H ALA 60 H ALA 60 4.753 12.405 5.714 458 HA ALA 60 HA ALA 60 5.684 14.027 7.981 459 HB1 ALA 60 HB1 ALA 60 6.738 14.512 5.812 460 HB2 ALA 60 HB2 ALA 60 5.832 15.888 6.440 461 HB3 ALA 60 HB3 ALA 60 5.152 14.902 5.145 462 H GLU 61 H GLU 61 4.319 15.294 9.085 463 HA GLU 61 HA GLU 61 1.476 15.156 8.454 464 HB2 GLU 61 HB2 GLU 61 2.276 14.784 10.774 465 HB3 GLU 61 HB3 GLU 61 2.934 16.413 10.791 466 HG2 GLU 61 HG2 GLU 61 0.574 17.221 10.365 467 HG3 GLU 61 HG3 GLU 61 0.057 15.574 10.734 468 H HIS 62 H HIS 62 0.887 16.564 6.912 469 HA HIS 62 HA HIS 62 2.107 19.240 6.931 470 HD2 HIS 62 HD2 HIS 62 -0.356 20.015 3.473 471 HE1 HIS 62 HE1 HIS 62 3.297 22.097 3.001 472 HE2 HIS 62 HE2 HIS 62 0.863 21.983 2.294 473 HB2 HIS 62 HB2 HIS 62 2.492 17.848 4.900 474 HB3 HIS 62 HB3 HIS 62 0.756 17.795 4.637 475 H GLN 63 H GLN 63 0.897 20.704 7.806 476 HA GLN 63 HA GLN 63 -0.820 22.086 8.273 477 HB2 GLN 63 HB2 GLN 63 -2.311 20.597 6.100 478 HB3 GLN 63 HB3 GLN 63 -2.848 22.090 6.864 479 HG2 GLN 63 HG2 GLN 63 -0.939 23.269 5.989 480 HG3 GLN 63 HG3 GLN 63 -0.286 21.778 5.318 481 HE21 GLN 63 HE21 GLN 63 -2.984 20.878 4.482 482 HE22 GLN 63 HE22 GLN 63 -3.332 21.796 3.050 483 H ASP 64 H ASP 64 -2.921 19.365 7.433 484 HA ASP 64 HA ASP 64 -3.458 18.971 10.296 485 HB2 ASP 64 HB2 ASP 64 -5.154 20.527 9.451 486 HB3 ASP 64 HB3 ASP 64 -5.569 19.402 8.165 487 H ASP 65 H ASP 65 -2.715 17.633 7.353 488 HA ASP 65 HA ASP 65 -4.037 15.077 7.990 489 HB2 ASP 65 HB2 ASP 65 -3.269 16.189 5.283 490 HB3 ASP 65 HB3 ASP 65 -3.905 14.572 5.556 491 H LEU 66 H LEU 66 -2.807 13.285 6.607 492 HA LEU 66 HA LEU 66 0.031 13.492 7.332 493 HG LEU 66 HG LEU 66 -2.103 12.287 9.260 494 HB2 LEU 66 HB2 LEU 66 -1.737 11.047 7.163 495 HB3 LEU 66 HB3 LEU 66 -0.012 11.014 7.485 496 HD11 LEU 66 HD11 LEU 66 -0.516 9.743 9.566 497 HD12 LEU 66 HD12 LEU 66 -2.256 9.872 9.299 498 HD13 LEU 66 HD13 LEU 66 -1.547 10.459 10.804 499 HD21 LEU 66 HD21 LEU 66 0.015 13.463 9.411 500 HD22 LEU 66 HD22 LEU 66 0.871 11.939 9.635 501 HD23 LEU 66 HD23 LEU 66 -0.251 12.509 10.870 502 H TRP 67 H TRP 67 1.364 13.586 5.679 503 HA TRP 67 HA TRP 67 0.462 12.534 3.077 504 HD1 TRP 67 HD1 TRP 67 0.056 15.746 5.314 505 HE1 TRP 67 HE1 TRP 67 -2.036 17.125 4.730 506 HE3 TRP 67 HE3 TRP 67 -0.073 14.939 0.265 507 HZ2 TRP 67 HZ2 TRP 67 -3.555 17.765 2.443 508 HZ3 TRP 67 HZ3 TRP 67 -1.885 15.967 -1.046 509 HH2 TRP 67 HH2 TRP 67 -3.590 17.349 0.022 510 HB2 TRP 67 HB2 TRP 67 2.148 15.005 3.528 511 HB3 TRP 67 HB3 TRP 67 1.558 14.405 1.985 512 H VAL 68 H VAL 68 1.720 10.890 2.480 513 HA VAL 68 HA VAL 68 4.355 10.620 3.658 514 HB VAL 68 HB VAL 68 2.897 8.637 3.471 515 HG11 VAL 68 HG11 VAL 68 3.307 8.919 0.501 516 HG12 VAL 68 HG12 VAL 68 1.788 9.144 1.370 517 HG13 VAL 68 HG13 VAL 68 2.546 7.553 1.315 518 HG21 VAL 68 HG21 VAL 68 4.583 7.092 2.605 519 HG22 VAL 68 HG22 VAL 68 5.303 8.341 3.623 520 HG23 VAL 68 HG23 VAL 68 5.442 8.445 1.868 521 H ALA 69 H ALA 69 6.176 11.240 2.746 522 HA ALA 69 HA ALA 69 6.203 12.080 -0.044 523 HB1 ALA 69 HB1 ALA 69 7.286 13.525 1.610 524 HB2 ALA 69 HB2 ALA 69 8.456 12.913 0.440 525 HB3 ALA 69 HB3 ALA 69 8.373 12.207 2.055 526 H SER 70 H SER 70 6.288 10.406 -1.372 527 HA SER 70 HA SER 70 7.445 7.903 -0.786 528 HG SER 70 HG SER 70 5.741 9.996 -3.204 529 HB2 SER 70 HB2 SER 70 7.162 7.562 -3.299 530 HB3 SER 70 HB3 SER 70 5.703 7.970 -2.394 531 HA PRO 71 HA PRO 71 11.722 8.803 -1.557 532 HB2 PRO 71 HB2 PRO 71 12.612 6.257 -1.966 533 HB3 PRO 71 HB3 PRO 71 12.254 6.920 -0.368 534 HG2 PRO 71 HG2 PRO 71 10.574 5.157 -2.107 535 HG3 PRO 71 HG3 PRO 71 10.839 5.080 -0.354 536 HD2 PRO 71 HD2 PRO 71 8.604 6.148 -1.437 537 HD3 PRO 71 HD3 PRO 71 9.311 6.753 0.074 538 H LEU 72 H LEU 72 9.886 6.793 -3.781 539 HA LEU 72 HA LEU 72 11.859 7.023 -5.877 540 HG LEU 72 HG LEU 72 10.592 4.445 -4.569 541 HB2 LEU 72 HB2 LEU 72 9.086 5.833 -5.874 542 HB3 LEU 72 HB3 LEU 72 10.180 5.787 -7.241 543 HD11 LEU 72 HD11 LEU 72 10.160 3.329 -7.334 544 HD12 LEU 72 HD12 LEU 72 8.972 3.348 -6.031 545 HD13 LEU 72 HD13 LEU 72 10.445 2.390 -5.868 546 HD21 LEU 72 HD21 LEU 72 12.713 5.270 -5.428 547 HD22 LEU 72 HD22 LEU 72 12.385 4.527 -6.993 548 HD23 LEU 72 HD23 LEU 72 12.628 3.514 -5.570 549 H LYS 73 H LYS 73 8.548 8.205 -5.343 550 HA LYS 73 HA LYS 73 8.597 9.679 -7.840 551 HB2 LYS 73 HB2 LYS 73 6.460 10.070 -5.784 552 HB3 LYS 73 HB3 LYS 73 6.325 10.045 -7.534 553 HG2 LYS 73 HG2 LYS 73 6.987 7.551 -6.019 554 HG3 LYS 73 HG3 LYS 73 5.324 8.111 -6.148 555 HD2 LYS 73 HD2 LYS 73 5.629 6.538 -7.882 556 HD3 LYS 73 HD3 LYS 73 5.654 8.122 -8.652 557 HE2 LYS 73 HE2 LYS 73 7.994 8.047 -8.953 558 HE3 LYS 73 HE3 LYS 73 8.167 6.684 -7.844 559 HZ1 LYS 73 HZ1 LYS 73 6.771 6.584 -10.470 560 HZ2 LYS 73 HZ2 LYS 73 7.009 5.278 -9.409 561 HZ3 LYS 73 HZ3 LYS 73 8.338 6.004 -10.176 562 H LYS 74 H LYS 74 9.158 10.206 -4.492 563 HA LYS 74 HA LYS 74 9.670 11.965 -3.188 564 HB2 LYS 74 HB2 LYS 74 11.316 12.295 -5.170 565 HB3 LYS 74 HB3 LYS 74 10.265 13.637 -5.610 566 HG2 LYS 74 HG2 LYS 74 10.646 14.691 -3.470 567 HG3 LYS 74 HG3 LYS 74 11.604 13.312 -2.933 568 HD2 LYS 74 HD2 LYS 74 13.183 13.777 -4.814 569 HD3 LYS 74 HD3 LYS 74 12.272 15.257 -5.133 570 HE2 LYS 74 HE2 LYS 74 13.644 14.565 -2.535 571 HE3 LYS 74 HE3 LYS 74 14.272 15.668 -3.758 572 HZ1 LYS 74 HZ1 LYS 74 13.170 16.818 -1.912 573 HZ2 LYS 74 HZ2 LYS 74 11.711 16.043 -2.287 574 HZ3 LYS 74 HZ3 LYS 74 12.405 17.123 -3.396 575 H GLN 75 H GLN 75 7.008 11.590 -4.278 576 HA GLN 75 HA GLN 75 5.970 14.339 -4.153 577 HB2 GLN 75 HB2 GLN 75 4.564 11.845 -5.125 578 HB3 GLN 75 HB3 GLN 75 3.927 13.480 -5.170 579 HG2 GLN 75 HG2 GLN 75 5.880 14.052 -6.675 580 HG3 GLN 75 HG3 GLN 75 6.156 12.313 -6.800 581 HE21 GLN 75 HE21 GLN 75 5.667 12.213 -8.982 582 HE22 GLN 75 HE22 GLN 75 4.052 12.427 -9.573 583 H HIS 76 H HIS 76 4.211 14.797 -2.789 584 HA HIS 76 HA HIS 76 3.980 13.037 -0.472 585 HD1 HIS 76 HD1 HIS 76 5.504 16.583 -1.351 586 HD2 HIS 76 HD2 HIS 76 4.665 14.869 2.340 587 HE1 HIS 76 HE1 HIS 76 7.463 17.150 0.117 588 HE2 HIS 76 HE2 HIS 76 6.776 16.357 2.406 589 HB2 HIS 76 HB2 HIS 76 3.006 15.849 -0.999 590 HB3 HIS 76 HB3 HIS 76 2.638 14.958 0.473 591 H PHE 77 H PHE 77 2.334 11.699 -0.198 592 HA PHE 77 HA PHE 77 -0.132 12.144 -1.758 593 HD1 PHE 77 HD2 PHE 77 -0.434 10.191 -4.003 594 HD2 PHE 77 HD1 PHE 77 3.129 9.589 -1.756 595 HE1 PHE 77 HE2 PHE 77 0.823 9.853 -6.091 596 HE2 PHE 77 HE1 PHE 77 4.392 9.251 -3.839 597 HZ PHE 77 HZ PHE 77 3.241 9.383 -6.010 598 HB2 PHE 77 HB2 PHE 77 0.984 9.537 -0.693 599 HB3 PHE 77 HB3 PHE 77 -0.504 9.714 -1.614 600 H ARG 78 H ARG 78 -2.006 12.405 -0.636 601 HA ARG 78 HA ARG 78 -1.880 12.325 2.251 602 HE ARG 78 HE ARG 78 -6.057 14.413 0.806 603 HB2 ARG 78 HB2 ARG 78 -3.144 14.119 1.091 604 HB3 ARG 78 HB3 ARG 78 -4.262 12.906 0.474 605 HG2 ARG 78 HG2 ARG 78 -5.196 12.516 2.549 606 HG3 ARG 78 HG3 ARG 78 -3.796 13.143 3.416 607 HD2 ARG 78 HD2 ARG 78 -5.566 14.715 3.660 608 HD3 ARG 78 HD3 ARG 78 -4.380 15.413 2.563 609 HH11 ARG 78 HH11 ARG 78 -6.798 16.010 3.831 610 HH12 ARG 78 HH12 ARG 78 -8.274 16.710 3.239 611 HH21 ARG 78 HH21 ARG 78 -8.041 15.295 0.040 612 HH22 ARG 78 HH22 ARG 78 -8.975 16.320 1.097 613 H LEU 79 H LEU 79 -2.365 10.644 3.462 614 HA LEU 79 HA LEU 79 -2.918 8.151 2.145 615 HG LEU 79 HG LEU 79 -0.503 9.400 3.813 616 HB2 LEU 79 HB2 LEU 79 -2.493 8.759 5.069 617 HB3 LEU 79 HB3 LEU 79 -2.462 7.165 4.336 618 HD11 LEU 79 HD11 LEU 79 1.112 7.909 4.878 619 HD12 LEU 79 HD12 LEU 79 -0.179 6.755 5.218 620 HD13 LEU 79 HD13 LEU 79 -0.194 8.345 5.982 621 HD21 LEU 79 HD21 LEU 79 -0.590 6.601 2.699 622 HD22 LEU 79 HD22 LEU 79 0.697 7.780 2.444 623 HD23 LEU 79 HD23 LEU 79 -0.918 8.084 1.802 624 H TYR 80 H TYR 80 -5.132 10.178 2.458 625 HA TYR 80 HA TYR 80 -7.165 8.271 3.222 626 HD1 TYR 80 HD2 TYR 80 -7.783 7.391 5.508 627 HD2 TYR 80 HD1 TYR 80 -9.487 11.274 5.147 628 HE1 TYR 80 HE2 TYR 80 -9.867 6.563 6.518 629 HE2 TYR 80 HE1 TYR 80 -11.575 10.457 6.161 630 HH TYR 80 HH TYR 80 -11.801 7.429 7.721 631 HB2 TYR 80 HB2 TYR 80 -6.389 9.628 5.312 632 HB3 TYR 80 HB3 TYR 80 -7.254 10.966 4.569 633 H ASP 81 H ASP 81 -6.188 9.756 0.850 634 HA ASP 81 HA ASP 81 -8.655 11.169 0.143 635 HB2 ASP 81 HB2 ASP 81 -7.076 12.879 0.839 636 HB3 ASP 81 HB3 ASP 81 -5.841 12.210 -0.219 637 H GLY 82 H GLY 82 -5.496 10.641 -1.421 638 HA2 GLY 82 HA2 GLY 82 -5.439 8.664 -2.996 639 HA3 GLY 82 HA3 GLY 82 -6.937 9.327 -3.635 640 H PHE 83 H PHE 83 -5.882 12.110 -3.242 641 HA PHE 83 HA PHE 83 -4.556 12.227 -5.828 642 HD1 PHE 83 HD1 PHE 83 -5.731 14.028 -7.668 643 HD2 PHE 83 HD2 PHE 83 -7.917 13.694 -4.035 644 HE1 PHE 83 HE1 PHE 83 -7.823 13.836 -8.949 645 HE2 PHE 83 HE2 PHE 83 -10.010 13.497 -5.309 646 HZ PHE 83 HZ PHE 83 -9.968 13.569 -7.772 647 HB2 PHE 83 HB2 PHE 83 -5.652 14.365 -4.003 648 HB3 PHE 83 HB3 PHE 83 -4.780 14.729 -5.487 649 H CYS 84 H CYS 84 -2.804 13.941 -6.044 650 HA CYS 84 HA CYS 84 -0.763 13.359 -4.008 651 HG CYS 84 HG CYS 84 -0.924 11.076 -5.837 652 HB2 CYS 84 HB2 CYS 84 -0.209 14.261 -6.827 653 HB3 CYS 84 HB3 CYS 84 0.857 13.400 -5.722 654 H LEU 85 H LEU 85 0.634 15.035 -3.337 655 HA LEU 85 HA LEU 85 -0.487 17.726 -3.686 656 HG LEU 85 HG LEU 85 1.553 19.234 -1.967 657 HB2 LEU 85 HB2 LEU 85 -0.103 16.772 -1.398 658 HB3 LEU 85 HB3 LEU 85 1.615 16.774 -1.738 659 HD11 LEU 85 HD11 LEU 85 -0.414 20.469 -1.254 660 HD12 LEU 85 HD12 LEU 85 -1.305 18.961 -1.053 661 HD13 LEU 85 HD13 LEU 85 -0.777 19.466 -2.659 662 HD21 LEU 85 HD21 LEU 85 2.161 18.250 0.159 663 HD22 LEU 85 HD22 LEU 85 0.462 18.139 0.622 664 HD23 LEU 85 HD23 LEU 85 1.221 19.718 0.420 665 H GLU 86 H GLU 86 1.281 16.205 -5.619 666 HA GLU 86 HA GLU 86 3.293 18.310 -5.937 667 HB2 GLU 86 HB2 GLU 86 4.204 16.148 -4.892 668 HB3 GLU 86 HB3 GLU 86 3.941 15.422 -6.469 669 HG2 GLU 86 HG2 GLU 86 6.241 16.132 -6.201 670 HG3 GLU 86 HG3 GLU 86 5.445 17.041 -7.484 671 H ASP 87 H ASP 87 2.384 15.296 -7.638 672 HA ASP 87 HA ASP 87 1.552 16.928 -9.931 673 HB2 ASP 87 HB2 ASP 87 3.947 16.177 -10.219 674 HB3 ASP 87 HB3 ASP 87 3.355 14.517 -10.226 675 H GLY 88 H GLY 88 -0.193 16.126 -11.008 676 HA2 GLY 88 HA2 GLY 88 -1.607 13.958 -9.730 677 HA3 GLY 88 HA3 GLY 88 -2.192 14.959 -11.049 678 H ALA 89 H ALA 89 0.663 12.855 -10.774 679 HA ALA 89 HA ALA 89 -0.267 11.440 -13.184 680 HB1 ALA 89 HB1 ALA 89 2.522 11.611 -12.051 681 HB2 ALA 89 HB2 ALA 89 1.901 12.547 -13.411 682 HB3 ALA 89 HB3 ALA 89 2.050 10.794 -13.541 683 H TYR 90 H TYR 90 -0.129 11.119 -9.896 684 HA TYR 90 HA TYR 90 -0.299 8.198 -10.106 685 HD1 TYR 90 HD1 TYR 90 1.674 6.342 -9.494 686 HD2 TYR 90 HD2 TYR 90 3.183 10.318 -9.530 687 HE1 TYR 90 HE1 TYR 90 3.611 5.587 -10.806 688 HE2 TYR 90 HE2 TYR 90 5.121 9.579 -10.849 689 HH TYR 90 HH TYR 90 5.281 6.664 -12.436 690 HB2 TYR 90 HB2 TYR 90 1.363 9.758 -8.124 691 HB3 TYR 90 HB3 TYR 90 0.898 8.078 -7.868 692 H SER 91 H SER 91 -2.342 10.229 -9.952 693 HA SER 91 HA SER 91 -3.349 10.234 -7.253 694 HG SER 91 HG SER 91 -2.746 12.197 -8.378 695 HB2 SER 91 HB2 SER 91 -4.732 11.031 -9.829 696 HB3 SER 91 HB3 SER 91 -5.248 11.441 -8.189 697 H VAL 92 H VAL 92 -4.393 8.616 -6.351 698 HA VAL 92 HA VAL 92 -5.556 6.551 -8.109 699 HB VAL 92 HB VAL 92 -5.024 4.925 -6.315 700 HG11 VAL 92 HG11 VAL 92 -2.616 4.815 -6.752 701 HG12 VAL 92 HG12 VAL 92 -2.656 6.465 -7.375 702 HG13 VAL 92 HG13 VAL 92 -3.525 5.183 -8.219 703 HG21 VAL 92 HG21 VAL 92 -3.508 7.230 -5.086 704 HG22 VAL 92 HG22 VAL 92 -3.454 5.552 -4.546 705 HG23 VAL 92 HG23 VAL 92 -4.956 6.469 -4.424 706 H ALA 93 H ALA 93 -6.831 5.010 -6.280 707 HA ALA 93 HA ALA 93 -8.925 6.820 -5.284 708 HB1 ALA 93 HB1 ALA 93 -9.194 3.952 -6.184 709 HB2 ALA 93 HB2 ALA 93 -9.663 5.375 -7.113 710 HB3 ALA 93 HB3 ALA 93 -10.503 4.989 -5.612 711 H ALA 94 H ALA 94 -10.228 5.832 -3.479 712 HA ALA 94 HA ALA 94 -8.505 4.410 -1.580 713 HB1 ALA 94 HB1 ALA 94 -9.467 5.754 0.231 714 HB2 ALA 94 HB2 ALA 94 -10.395 6.682 -0.948 715 HB3 ALA 94 HB3 ALA 94 -8.633 6.770 -0.944 716 H TYR 95 H TYR 95 -9.358 2.485 -1.357 717 HA TYR 95 HA TYR 95 -12.156 1.990 -1.847 718 HD1 TYR 95 HD2 TYR 95 -12.405 -0.134 -3.764 719 HD2 TYR 95 HD1 TYR 95 -8.347 0.679 -2.769 720 HE1 TYR 95 HE2 TYR 95 -11.799 -0.266 -6.144 721 HE2 TYR 95 HE1 TYR 95 -7.733 0.550 -5.146 722 HH TYR 95 HH TYR 95 -8.596 -0.471 -7.218 723 HB2 TYR 95 HB2 TYR 95 -9.909 0.131 -1.056 724 HB3 TYR 95 HB3 TYR 95 -11.545 -0.388 -1.443 725 H ASP 96 H ASP 96 -13.648 1.154 -0.392 726 HA ASP 96 HA ASP 96 -13.511 2.165 2.254 727 HB2 ASP 96 HB2 ASP 96 -15.403 0.025 1.256 728 HB3 ASP 96 HB3 ASP 96 -15.645 1.108 2.620 729 H THR 97 H THR 97 -12.505 1.313 3.957 730 HA THR 97 HA THR 97 -11.994 -1.602 3.966 731 HB THR 97 HB THR 97 -10.368 0.341 5.574 732 HG1 THR 97 HG1 THR 97 -10.535 0.538 2.972 733 HG21 THR 97 HG21 THR 97 -8.631 -1.357 5.281 734 HG22 THR 97 HG22 THR 97 -9.724 -2.302 4.270 735 HG23 THR 97 HG23 THR 97 -10.095 -2.054 5.974 736 H GLN 98 H GLN 98 -12.136 -2.638 6.016 737 HA GLN 98 HA GLN 98 -13.268 -1.128 8.236 738 HB2 GLN 98 HB2 GLN 98 -15.088 -2.721 8.592 739 HB3 GLN 98 HB3 GLN 98 -15.240 -1.940 7.024 740 HG2 GLN 98 HG2 GLN 98 -14.756 -3.861 5.865 741 HG3 GLN 98 HG3 GLN 98 -13.848 -4.566 7.204 742 HE21 GLN 98 HE21 GLN 98 -17.008 -4.005 5.860 743 HE22 GLN 98 HE22 GLN 98 -17.854 -5.115 6.879 744 H VAL 99 H VAL 99 -13.081 -2.180 10.243 745 HA VAL 99 HA VAL 99 -11.294 -4.521 10.281 746 HB VAL 99 HB VAL 99 -11.267 -2.303 12.332 747 HG11 VAL 99 HG11 VAL 99 -10.469 -4.438 13.148 748 HG12 VAL 99 HG12 VAL 99 -9.123 -3.308 12.988 749 HG13 VAL 99 HG13 VAL 99 -9.362 -4.573 11.782 750 HG21 VAL 99 HG21 VAL 99 -9.160 -1.553 11.295 751 HG22 VAL 99 HG22 VAL 99 -10.552 -1.348 10.232 752 HG23 VAL 99 HG23 VAL 99 -9.432 -2.685 9.970 753 H THR 100 H THR 100 -12.586 -6.162 10.956 754 HA THR 100 HA THR 100 -14.582 -5.477 12.996 755 HB THR 100 HB THR 100 -15.744 -6.019 11.001 756 HG1 THR 100 HG1 THR 100 -15.891 -8.373 12.600 757 HG21 THR 100 HG21 THR 100 -14.248 -8.643 10.934 758 HG22 THR 100 HG22 THR 100 -13.965 -7.274 9.858 759 HG23 THR 100 HG23 THR 100 -15.507 -8.126 9.811 760 H ASN 101 H ASN 101 -12.861 -8.406 11.907 761 HA ASN 101 HA ASN 101 -13.103 -9.387 14.675 762 HB2 ASN 101 HB2 ASN 101 -12.533 -11.010 12.181 763 HB3 ASN 101 HB3 ASN 101 -12.911 -11.637 13.781 764 HD21 ASN 101 HD21 ASN 101 -14.243 -12.237 11.341 765 HD22 ASN 101 HD22 ASN 101 -15.881 -11.694 11.491 766 H GLY 102 H GLY 102 -11.032 -7.538 13.823 767 HA2 GLY 102 HA2 GLY 102 -8.749 -7.319 14.183 768 HA3 GLY 102 HA3 GLY 102 -8.671 -9.045 14.523 769 H ASN 103 H ASN 103 -10.355 -8.605 11.751 770 HA ASN 103 HA ASN 103 -7.997 -9.066 10.060 771 HB2 ASN 103 HB2 ASN 103 -9.490 -10.287 8.544 772 HB3 ASN 103 HB3 ASN 103 -9.553 -10.981 10.160 773 HD21 ASN 103 HD21 ASN 103 -11.490 -11.140 7.992 774 HD22 ASN 103 HD22 ASN 103 -12.976 -10.519 8.622 775 H VAL 104 H VAL 104 -8.151 -8.228 7.857 776 HA VAL 104 HA VAL 104 -9.511 -5.622 7.861 777 HB VAL 104 HB VAL 104 -7.299 -6.555 6.017 778 HG11 VAL 104 HG11 VAL 104 -8.621 -4.702 5.152 779 HG12 VAL 104 HG12 VAL 104 -6.989 -4.179 5.568 780 HG13 VAL 104 HG13 VAL 104 -8.337 -3.797 6.638 781 HG21 VAL 104 HG21 VAL 104 -5.768 -5.234 7.395 782 HG22 VAL 104 HG22 VAL 104 -6.474 -6.574 8.301 783 HG23 VAL 104 HG23 VAL 104 -7.071 -4.932 8.545 784 H GLN 105 H GLN 105 -11.221 -5.334 6.578 785 HA GLN 105 HA GLN 105 -11.440 -7.009 4.164 786 HB2 GLN 105 HB2 GLN 105 -13.728 -6.062 5.900 787 HB3 GLN 105 HB3 GLN 105 -13.889 -6.945 4.388 788 HG2 GLN 105 HG2 GLN 105 -12.547 -8.786 5.479 789 HG3 GLN 105 HG3 GLN 105 -12.778 -7.919 6.998 790 HE21 GLN 105 HE21 GLN 105 -14.887 -7.712 7.832 791 HE22 GLN 105 HE22 GLN 105 -16.143 -8.808 7.372 792 H ILE 106 H ILE 106 -11.712 -5.970 2.326 793 HA ILE 106 HA ILE 106 -12.226 -3.081 2.399 794 HB ILE 106 HB ILE 106 -10.590 -4.701 0.432 795 HG12 ILE 106 HG12 ILE 106 -8.859 -2.899 1.127 796 HG13 ILE 106 HG13 ILE 106 -9.916 -2.630 2.505 797 HG21 ILE 106 HG21 ILE 106 -10.146 -2.578 -0.731 798 HG22 ILE 106 HG22 ILE 106 -11.350 -1.790 0.290 799 HG23 ILE 106 HG23 ILE 106 -11.837 -3.069 -0.822 800 HD11 ILE 106 HD11 ILE 106 -8.583 -5.227 1.785 801 HD12 ILE 106 HD12 ILE 106 -9.640 -4.958 3.172 802 HD13 ILE 106 HD13 ILE 106 -8.091 -4.120 3.065 803 H SER 107 H SER 107 -13.771 -2.244 1.082 804 HA SER 107 HA SER 107 -15.636 -4.036 -0.196 805 HG SER 107 HG SER 107 -17.346 -1.016 -1.182 806 HB2 SER 107 HB2 SER 107 -16.449 -2.031 0.982 807 HB3 SER 107 HB3 SER 107 -15.530 -1.005 -0.117 808 H ILE 108 H ILE 108 -14.836 -4.971 -1.972 809 HA ILE 108 HA ILE 108 -12.971 -3.633 -3.693 810 HB ILE 108 HB ILE 108 -14.347 -6.290 -4.117 811 HG12 ILE 108 HG12 ILE 108 -13.129 -6.297 -2.005 812 HG13 ILE 108 HG13 ILE 108 -12.278 -7.278 -3.192 813 HG21 ILE 108 HG21 ILE 108 -13.380 -5.388 -6.156 814 HG22 ILE 108 HG22 ILE 108 -12.446 -6.774 -5.591 815 HG23 ILE 108 HG23 ILE 108 -11.838 -5.138 -5.335 816 HD11 ILE 108 HD11 ILE 108 -10.728 -5.953 -1.889 817 HD12 ILE 108 HD12 ILE 108 -11.560 -4.474 -2.369 818 HD13 ILE 108 HD13 ILE 108 -10.712 -5.440 -3.576 819 H ALA 109 H ALA 109 -13.994 -1.907 -4.627 820 HA ALA 109 HA ALA 109 -16.359 -2.308 -6.251 821 HB1 ALA 109 HB1 ALA 109 -16.081 0.050 -6.860 822 HB2 ALA 109 HB2 ALA 109 -14.542 0.093 -6.001 823 HB3 ALA 109 HB3 ALA 109 -16.041 -0.166 -5.108 824 H ASP 110 H ASP 110 -16.378 -2.623 -8.436 825 HA ASP 110 HA ASP 110 -13.976 -3.633 -9.571 826 HB2 ASP 110 HB2 ASP 110 -15.289 -4.073 -11.575 827 HB3 ASP 110 HB3 ASP 110 -16.131 -4.615 -10.135 828 H SER 111 H SER 111 -12.453 -2.593 -10.505 829 HA SER 111 HA SER 111 -12.764 0.163 -11.330 830 HG SER 111 HG SER 111 -10.933 -0.200 -9.331 831 HB2 SER 111 HB2 SER 111 -10.293 -1.512 -11.762 832 HB3 SER 111 HB3 SER 111 -10.414 0.223 -11.463 833 H ASP 112 H ASP 112 -11.220 -2.586 -12.942 834 HA ASP 112 HA ASP 112 -12.879 -2.167 -15.305 835 HB2 ASP 112 HB2 ASP 112 -10.886 -0.921 -15.853 836 HB3 ASP 112 HB3 ASP 112 -9.853 -2.241 -15.314 837 H VAL 113 H VAL 113 -13.951 -4.049 -15.072 838 HA VAL 113 HA VAL 113 -12.337 -6.503 -14.853 839 HB VAL 113 HB VAL 113 -15.251 -6.114 -14.140 840 HG11 VAL 113 HG11 VAL 113 -15.097 -8.347 -13.151 841 HG12 VAL 113 HG12 VAL 113 -13.436 -8.490 -13.724 842 HG13 VAL 113 HG13 VAL 113 -14.763 -8.389 -14.882 843 HG21 VAL 113 HG21 VAL 113 -13.787 -4.946 -12.584 844 HG22 VAL 113 HG22 VAL 113 -12.836 -6.414 -12.354 845 HG23 VAL 113 HG23 VAL 113 -14.515 -6.355 -11.814 846 H ALA 114 H ALA 114 -12.458 -7.996 -16.413 847 HA ALA 114 HA ALA 114 -14.335 -7.542 -18.628 848 HB1 ALA 114 HB1 ALA 114 -12.009 -7.537 -19.319 849 HB2 ALA 114 HB2 ALA 114 -12.804 -8.984 -19.944 850 HB3 ALA 114 HB3 ALA 114 -11.748 -9.095 -18.537 851 H VAL 115 H VAL 115 -14.886 -9.753 -19.737 852 HA VAL 115 HA VAL 115 -16.289 -11.330 -17.850 853 HB VAL 115 HB VAL 115 -16.599 -12.913 -19.864 854 HG11 VAL 115 HG11 VAL 115 -18.287 -11.326 -19.098 855 HG12 VAL 115 HG12 VAL 115 -18.262 -11.415 -20.858 856 HG13 VAL 115 HG13 VAL 115 -17.519 -10.045 -20.033 857 HG21 VAL 115 HG21 VAL 115 -15.355 -10.544 -21.267 858 HG22 VAL 115 HG22 VAL 115 -16.163 -11.900 -22.055 859 HG23 VAL 115 HG23 VAL 115 -14.666 -12.164 -21.160 860 H ASP 116 H ASP 116 -15.226 -12.499 -16.412 861 HA ASP 116 HA ASP 116 -12.655 -13.609 -16.839 862 HB2 ASP 116 HB2 ASP 116 -12.946 -14.652 -14.647 863 HB3 ASP 116 HB3 ASP 116 -13.458 -12.968 -14.602 864 H ASN 117 H ASN 117 -12.017 -15.685 -17.188 865 HA ASN 117 HA ASN 117 -13.672 -17.326 -18.762 866 HB2 ASN 117 HB2 ASN 117 -11.836 -19.022 -18.523 867 HB3 ASN 117 HB3 ASN 117 -11.304 -17.446 -19.096 868 HD21 ASN 117 HD21 ASN 117 -10.110 -16.110 -17.701 869 HD22 ASN 117 HD22 ASN 117 -9.278 -16.766 -16.328 870 H SER 118 H SER 118 -14.747 -19.203 -18.316 871 HA SER 118 HA SER 118 -15.895 -19.142 -15.680 872 HG SER 118 HG SER 118 -16.813 -18.400 -18.248 873 HB2 SER 118 HB2 SER 118 -16.687 -20.777 -18.100 874 HB3 SER 118 HB3 SER 118 -17.633 -20.578 -16.623 875 H GLN 119 H GLN 119 -13.888 -19.964 -14.749 876 HA GLN 119 HA GLN 119 -13.496 -22.825 -14.875 877 HB2 GLN 119 HB2 GLN 119 -12.460 -20.745 -12.939 878 HB3 GLN 119 HB3 GLN 119 -12.015 -22.446 -12.898 879 HG2 GLN 119 HG2 GLN 119 -11.114 -22.210 -15.190 880 HG3 GLN 119 HG3 GLN 119 -11.454 -20.481 -15.101 881 HE21 GLN 119 HE21 GLN 119 -9.473 -23.084 -13.947 882 HE22 GLN 119 HE22 GLN 119 -8.248 -22.099 -13.212 883 HA PRO 120 HA PRO 120 -16.562 -24.062 -11.935 884 HB2 PRO 120 HB2 PRO 120 -15.142 -25.967 -10.535 885 HB3 PRO 120 HB3 PRO 120 -15.934 -26.250 -12.088 886 HG2 PRO 120 HG2 PRO 120 -13.064 -25.660 -11.502 887 HG3 PRO 120 HG3 PRO 120 -13.762 -26.795 -12.674 888 HD2 PRO 120 HD2 PRO 120 -12.781 -24.408 -13.430 889 HD3 PRO 120 HD3 PRO 120 -14.202 -25.127 -14.216 890 H LEU 121 H LEU 121 -17.132 -22.794 -10.307 891 HA LEU 121 HA LEU 121 -15.349 -21.390 -8.644 892 HG LEU 121 HG LEU 121 -18.516 -19.485 -8.547 893 HB2 LEU 121 HB2 LEU 121 -18.289 -21.905 -8.621 894 HB3 LEU 121 HB3 LEU 121 -17.554 -21.253 -7.172 895 HD11 LEU 121 HD11 LEU 121 -16.597 -18.941 -7.190 896 HD12 LEU 121 HD12 LEU 121 -16.548 -18.032 -8.701 897 HD13 LEU 121 HD13 LEU 121 -15.506 -19.439 -8.483 898 HD21 LEU 121 HD21 LEU 121 -18.297 -20.533 -10.737 899 HD22 LEU 121 HD22 LEU 121 -16.546 -20.342 -10.662 900 HD23 LEU 121 HD23 LEU 121 -17.587 -18.920 -10.725 901 HA PRO 122 HA PRO 122 -14.133 -24.305 -5.541 902 HB2 PRO 122 HB2 PRO 122 -14.103 -22.579 -3.378 903 HB3 PRO 122 HB3 PRO 122 -12.785 -22.769 -4.536 904 HG2 PRO 122 HG2 PRO 122 -14.931 -20.688 -4.426 905 HG3 PRO 122 HG3 PRO 122 -13.208 -20.506 -4.816 906 HD2 PRO 122 HD2 PRO 122 -15.074 -20.524 -6.732 907 HD3 PRO 122 HD3 PRO 122 -13.491 -21.292 -6.982 908 H LEU 123 H LEU 123 -14.848 -25.072 -3.326 909 HA LEU 123 HA LEU 123 -17.694 -25.456 -3.508 910 HG LEU 123 HG LEU 123 -14.397 -26.507 -2.487 911 HB2 LEU 123 HB2 LEU 123 -17.192 -27.000 -1.477 912 HB3 LEU 123 HB3 LEU 123 -16.681 -27.458 -3.086 913 HD11 LEU 123 HD11 LEU 123 -13.846 -26.395 -0.116 914 HD12 LEU 123 HD12 LEU 123 -15.537 -26.676 0.299 915 HD13 LEU 123 HD13 LEU 123 -15.068 -25.195 -0.540 916 HD21 LEU 123 HD21 LEU 123 -14.843 -28.890 -2.633 917 HD22 LEU 123 HD22 LEU 123 -15.447 -28.896 -0.976 918 HD23 LEU 123 HD23 LEU 123 -13.747 -28.547 -1.295 919 H GLU 124 H GLU 124 -17.219 -22.832 -2.853 920 HA GLU 124 HA GLU 124 -17.599 -22.352 -0.067 921 HB2 GLU 124 HB2 GLU 124 -16.915 -20.729 -2.036 922 HB3 GLU 124 HB3 GLU 124 -18.650 -20.513 -2.191 923 HG2 GLU 124 HG2 GLU 124 -17.209 -20.097 0.408 924 HG3 GLU 124 HG3 GLU 124 -17.376 -18.822 -0.794 925 H HIS 125 H HIS 125 -19.560 -22.060 1.041 926 HA HIS 125 HA HIS 125 -21.505 -23.947 0.210 927 HD1 HIS 125 HD1 HIS 125 -23.805 -21.954 3.642 928 HD2 HIS 125 HD2 HIS 125 -23.194 -25.502 1.554 929 HE1 HIS 125 HE1 HIS 125 -25.903 -23.305 3.965 930 HE2 HIS 125 HE2 HIS 125 -25.572 -25.373 2.564 931 HB2 HIS 125 HB2 HIS 125 -20.943 -23.598 2.576 932 HB3 HIS 125 HB3 HIS 125 -21.627 -21.977 2.502 933 H HIS 126 H HIS 126 -21.620 -20.406 0.575 934 HA HIS 126 HA HIS 126 -23.052 -18.827 -0.224 935 HD1 HIS 126 HD1 HIS 126 -23.249 -17.724 -3.689 936 HD2 HIS 126 HD2 HIS 126 -20.640 -20.697 -2.407 937 HE1 HIS 126 HE1 HIS 126 -21.050 -17.217 -4.795 938 HE2 HIS 126 HE2 HIS 126 -19.442 -18.913 -3.857 939 HB2 HIS 126 HB2 HIS 126 -23.593 -20.992 -2.254 940 HB3 HIS 126 HB3 HIS 126 -24.395 -19.430 -2.318 941 H HIS 127 H HIS 127 -25.500 -18.483 -0.828 942 HA HIS 127 HA HIS 127 -27.195 -20.393 0.657 943 HD1 HIS 127 HD1 HIS 127 -27.029 -15.949 2.374 944 HD2 HIS 127 HD2 HIS 127 -26.179 -19.962 3.067 945 HE1 HIS 127 HE1 HIS 127 -25.650 -16.002 4.479 946 HE2 HIS 127 HE2 HIS 127 -25.276 -18.442 4.961 947 HB2 HIS 127 HB2 HIS 127 -27.673 -17.406 0.462 948 HB3 HIS 127 HB3 HIS 127 -28.661 -18.565 1.334 949 H HIS 128 H HIS 128 -28.131 -21.495 -1.029 950 HA HIS 128 HA HIS 128 -28.944 -19.894 -3.353 951 HD1 HIS 128 HD1 HIS 128 -30.240 -23.591 -5.136 952 HD2 HIS 128 HD2 HIS 128 -27.962 -20.231 -6.050 953 HE1 HIS 128 HE1 HIS 128 -30.710 -23.089 -7.551 954 HE2 HIS 128 HE2 HIS 128 -29.483 -20.937 -8.024 955 HB2 HIS 128 HB2 HIS 128 -27.397 -21.876 -3.675 956 HB3 HIS 128 HB3 HIS 128 -28.762 -22.903 -3.249 957 H HIS 129 H HIS 129 -30.957 -19.342 -3.494 958 HA HIS 129 HA HIS 129 -33.072 -21.265 -3.238 959 HD1 HIS 129 HD1 HIS 129 -35.395 -17.993 -1.910 960 HD2 HIS 129 HD2 HIS 129 -35.289 -22.052 -0.999 961 HE1 HIS 129 HE1 HIS 129 -37.793 -18.683 -1.607 962 HE2 HIS 129 HE2 HIS 129 -37.698 -21.105 -0.911 963 HB2 HIS 129 HB2 HIS 129 -32.887 -20.543 -0.884 964 HB3 HIS 129 HB3 HIS 129 -33.045 -18.863 -1.388 965 H HIS 130 H HIS 130 -34.674 -20.750 -4.640 966 HA HIS 130 HA HIS 130 -34.550 -18.072 -5.868 967 HD1 HIS 130 HD1 HIS 130 -37.741 -19.232 -7.968 968 HD2 HIS 130 HD2 HIS 130 -33.997 -17.975 -9.276 969 HE1 HIS 130 HE1 HIS 130 -38.179 -17.754 -9.956 970 HE2 HIS 130 HE2 HIS 130 -35.889 -17.159 -10.840 971 HB2 HIS 130 HB2 HIS 130 -34.077 -19.979 -7.404 972 HB3 HIS 130 HB3 HIS 130 -35.672 -20.629 -7.045 Start of MODEL 15 1 HA MET 1 HA MET 1 -23.160 -6.988 -0.036 2 H1 MET 1 H1 MET 1 -24.883 -5.403 0.528 3 H2 MET 1 H2 MET 1 -24.218 -4.275 -0.552 4 H3 MET 1 H3 MET 1 -23.335 -4.775 0.804 5 HB2 MET 1 HB2 MET 1 -23.971 -7.554 -2.274 6 HB3 MET 1 HB3 MET 1 -25.295 -7.070 -1.228 7 HG2 MET 1 HG2 MET 1 -23.989 -5.243 -3.226 8 HG3 MET 1 HG3 MET 1 -25.411 -6.222 -3.570 9 HE1 MET 1 HE1 MET 1 -25.395 -3.112 -4.043 10 HE2 MET 1 HE2 MET 1 -26.944 -2.641 -3.339 11 HE3 MET 1 HE3 MET 1 -26.821 -4.117 -4.298 12 H SER 2 H SER 2 -21.608 -4.655 0.191 13 HA SER 2 HA SER 2 -20.285 -4.006 -2.238 14 HG SER 2 HG SER 2 -20.597 -1.665 -0.557 15 HB2 SER 2 HB2 SER 2 -19.117 -3.762 0.539 16 HB3 SER 2 HB3 SER 2 -18.789 -2.757 -0.874 17 H GLN 3 H GLN 3 -18.131 -4.610 -2.870 18 HA GLN 3 HA GLN 3 -17.596 -7.388 -2.449 19 HB2 GLN 3 HB2 GLN 3 -16.010 -5.294 -3.948 20 HB3 GLN 3 HB3 GLN 3 -15.626 -7.008 -3.930 21 HG2 GLN 3 HG2 GLN 3 -16.753 -6.739 -5.926 22 HG3 GLN 3 HG3 GLN 3 -18.005 -7.338 -4.840 23 HE21 GLN 3 HE21 GLN 3 -16.823 -4.617 -6.629 24 HE22 GLN 3 HE22 GLN 3 -18.251 -3.643 -6.492 25 H TRP 4 H TRP 4 -17.335 -7.222 -0.118 26 HA TRP 4 HA TRP 4 -14.882 -6.032 0.861 27 HD1 TRP 4 HD1 TRP 4 -19.043 -6.030 2.099 28 HE1 TRP 4 HE1 TRP 4 -19.434 -3.566 2.757 29 HE3 TRP 4 HE3 TRP 4 -14.221 -4.701 3.131 30 HZ2 TRP 4 HZ2 TRP 4 -17.891 -1.358 3.598 31 HZ3 TRP 4 HZ3 TRP 4 -13.760 -2.394 3.853 32 HH2 TRP 4 HH2 TRP 4 -15.556 -0.758 4.080 33 HB2 TRP 4 HB2 TRP 4 -17.046 -7.650 2.213 34 HB3 TRP 4 HB3 TRP 4 -15.604 -7.080 3.046 35 H THR 5 H THR 5 -13.012 -7.016 0.719 36 HA THR 5 HA THR 5 -12.956 -9.955 0.755 37 HB THR 5 HB THR 5 -10.693 -9.442 -0.534 38 HG1 THR 5 HG1 THR 5 -12.377 -7.212 -1.044 39 HG21 THR 5 HG21 THR 5 -13.432 -9.460 -1.806 40 HG22 THR 5 HG22 THR 5 -12.460 -10.873 -1.389 41 HG23 THR 5 HG23 THR 5 -11.922 -9.772 -2.658 42 H THR 6 H THR 6 -11.083 -10.919 1.753 43 HA THR 6 HA THR 6 -10.301 -9.377 4.078 44 HB THR 6 HB THR 6 -9.687 -12.265 3.410 45 HG1 THR 6 HG1 THR 6 -11.627 -12.723 4.154 46 HG21 THR 6 HG21 THR 6 -9.287 -12.512 5.800 47 HG22 THR 6 HG22 THR 6 -9.647 -10.805 6.056 48 HG23 THR 6 HG23 THR 6 -8.220 -11.274 5.132 49 H VAL 7 H VAL 7 -8.432 -8.356 4.286 50 HA VAL 7 HA VAL 7 -6.240 -8.746 2.442 51 HB VAL 7 HB VAL 7 -6.434 -7.092 4.970 52 HG11 VAL 7 HG11 VAL 7 -4.298 -7.078 2.843 53 HG12 VAL 7 HG12 VAL 7 -4.121 -7.696 4.485 54 HG13 VAL 7 HG13 VAL 7 -4.399 -5.975 4.215 55 HG21 VAL 7 HG21 VAL 7 -7.933 -6.342 3.189 56 HG22 VAL 7 HG22 VAL 7 -6.565 -6.252 2.078 57 HG23 VAL 7 HG23 VAL 7 -6.638 -5.183 3.478 58 H CYS 8 H CYS 8 -6.369 -8.775 5.972 59 HA CYS 8 HA CYS 8 -5.464 -11.365 6.422 60 HG CYS 8 HG CYS 8 -1.591 -11.879 6.612 61 HB2 CYS 8 HB2 CYS 8 -3.369 -10.435 5.334 62 HB3 CYS 8 HB3 CYS 8 -3.236 -9.319 6.688 63 H LYS 9 H LYS 9 -3.985 -10.927 8.763 64 HA LYS 9 HA LYS 9 -6.046 -9.948 10.527 65 HB2 LYS 9 HB2 LYS 9 -3.224 -10.801 11.204 66 HB3 LYS 9 HB3 LYS 9 -4.585 -10.689 12.308 67 HG2 LYS 9 HG2 LYS 9 -5.329 -12.722 11.781 68 HG3 LYS 9 HG3 LYS 9 -5.075 -12.467 10.051 69 HD2 LYS 9 HD2 LYS 9 -3.670 -14.286 10.949 70 HD3 LYS 9 HD3 LYS 9 -2.712 -12.956 10.294 71 HE2 LYS 9 HE2 LYS 9 -2.470 -12.077 12.601 72 HE3 LYS 9 HE3 LYS 9 -3.298 -13.513 13.199 73 HZ1 LYS 9 HZ1 LYS 9 -0.916 -13.766 13.360 74 HZ2 LYS 9 HZ2 LYS 9 -0.729 -13.465 11.701 75 HZ3 LYS 9 HZ3 LYS 9 -1.531 -14.870 12.226 76 H LEU 10 H LEU 10 -6.101 -7.997 11.536 77 HA LEU 10 HA LEU 10 -4.452 -5.850 10.778 78 HG LEU 10 HG LEU 10 -4.684 -3.827 12.371 79 HB2 LEU 10 HB2 LEU 10 -6.669 -5.516 11.707 80 HB3 LEU 10 HB3 LEU 10 -6.187 -6.249 13.223 81 HD11 LEU 10 HD11 LEU 10 -7.007 -3.253 11.832 82 HD12 LEU 10 HD12 LEU 10 -6.416 -2.346 13.225 83 HD13 LEU 10 HD13 LEU 10 -7.494 -3.721 13.462 84 HD21 LEU 10 HD21 LEU 10 -4.763 -3.370 14.766 85 HD22 LEU 10 HD22 LEU 10 -4.178 -5.007 14.468 86 HD23 LEU 10 HD23 LEU 10 -5.837 -4.747 15.006 87 H ASP 11 H ASP 11 -4.135 -8.273 13.209 88 HA ASP 11 HA ASP 11 -2.120 -6.927 14.759 89 HB2 ASP 11 HB2 ASP 11 -3.646 -8.403 15.905 90 HB3 ASP 11 HB3 ASP 11 -3.251 -9.732 14.824 91 H ASP 12 H ASP 12 -2.232 -8.846 11.962 92 HA ASP 12 HA ASP 12 0.448 -9.927 12.220 93 HB2 ASP 12 HB2 ASP 12 -1.630 -10.971 10.976 94 HB3 ASP 12 HB3 ASP 12 -1.114 -9.929 9.655 95 H ILE 13 H ILE 13 -1.112 -7.118 11.092 96 HA ILE 13 HA ILE 13 0.968 -6.374 9.196 97 HB ILE 13 HB ILE 13 -1.385 -4.764 10.209 98 HG12 ILE 13 HG12 ILE 13 -1.022 -6.297 7.624 99 HG13 ILE 13 HG13 ILE 13 -2.027 -6.813 8.974 100 HG21 ILE 13 HG21 ILE 13 -0.963 -3.343 8.235 101 HG22 ILE 13 HG22 ILE 13 0.498 -4.272 7.902 102 HG23 ILE 13 HG23 ILE 13 0.376 -3.319 9.382 103 HD11 ILE 13 HD11 ILE 13 -3.391 -5.850 7.237 104 HD12 ILE 13 HD12 ILE 13 -2.435 -4.368 7.267 105 HD13 ILE 13 HD13 ILE 13 -3.419 -4.810 8.661 106 H LEU 14 H LEU 14 2.749 -5.279 9.699 107 HA LEU 14 HA LEU 14 3.272 -4.547 12.415 108 HG LEU 14 HG LEU 14 4.630 -6.591 10.537 109 HB2 LEU 14 HB2 LEU 14 4.914 -4.228 9.904 110 HB3 LEU 14 HB3 LEU 14 5.488 -3.869 11.518 111 HD11 LEU 14 HD11 LEU 14 6.731 -5.890 9.541 112 HD12 LEU 14 HD12 LEU 14 7.013 -7.145 10.748 113 HD13 LEU 14 HD13 LEU 14 7.362 -5.460 11.131 114 HD21 LEU 14 HD21 LEU 14 5.554 -7.382 12.677 115 HD22 LEU 14 HD22 LEU 14 4.169 -6.312 12.902 116 HD23 LEU 14 HD23 LEU 14 5.804 -5.706 13.170 117 HA PRO 15 HA PRO 15 1.976 -0.306 12.126 118 HB2 PRO 15 HB2 PRO 15 3.584 0.146 14.527 119 HB3 PRO 15 HB3 PRO 15 1.833 0.232 14.323 120 HG2 PRO 15 HG2 PRO 15 3.023 -1.736 15.735 121 HG3 PRO 15 HG3 PRO 15 1.533 -1.999 14.810 122 HD2 PRO 15 HD2 PRO 15 4.356 -2.699 14.097 123 HD3 PRO 15 HD3 PRO 15 2.870 -3.649 13.876 124 H GLY 16 H GLY 16 2.783 1.609 11.412 125 HA2 GLY 16 HA2 GLY 16 4.415 3.257 11.057 126 HA3 GLY 16 HA3 GLY 16 5.657 2.114 11.545 127 H THR 17 H THR 17 3.323 0.946 9.291 128 HA THR 17 HA THR 17 4.972 1.495 6.981 129 HB THR 17 HB THR 17 5.072 -1.193 6.728 130 HG1 THR 17 HG1 THR 17 4.290 -1.310 9.001 131 HG21 THR 17 HG21 THR 17 7.126 0.560 8.078 132 HG22 THR 17 HG22 THR 17 6.948 0.288 6.344 133 HG23 THR 17 HG23 THR 17 7.448 -1.035 7.398 134 H GLY 18 H GLY 18 4.097 0.634 5.008 135 HA2 GLY 18 HA2 GLY 18 1.313 -0.332 5.249 136 HA3 GLY 18 HA3 GLY 18 1.819 0.811 4.009 137 H VAL 19 H VAL 19 0.731 -2.057 3.951 138 HA VAL 19 HA VAL 19 2.939 -3.238 2.407 139 HB VAL 19 HB VAL 19 2.084 -5.476 3.064 140 HG11 VAL 19 HG11 VAL 19 2.922 -3.659 5.320 141 HG12 VAL 19 HG12 VAL 19 3.992 -4.516 4.212 142 HG13 VAL 19 HG13 VAL 19 2.997 -5.422 5.350 143 HG21 VAL 19 HG21 VAL 19 0.388 -3.910 5.007 144 HG22 VAL 19 HG22 VAL 19 0.575 -5.663 4.980 145 HG23 VAL 19 HG23 VAL 19 -0.208 -4.839 3.632 146 H CYS 20 H CYS 20 2.532 -4.194 0.452 147 HA CYS 20 HA CYS 20 0.071 -3.572 -0.844 148 HG CYS 20 HG CYS 20 2.962 -6.701 -1.640 149 HB2 CYS 20 HB2 CYS 20 1.156 -5.030 -2.682 150 HB3 CYS 20 HB3 CYS 20 1.938 -3.515 -2.241 151 H ALA 21 H ALA 21 -1.701 -4.619 -0.213 152 HA ALA 21 HA ALA 21 -1.687 -7.450 0.366 153 HB1 ALA 21 HB1 ALA 21 -4.079 -7.171 0.753 154 HB2 ALA 21 HB2 ALA 21 -4.001 -5.528 0.119 155 HB3 ALA 21 HB3 ALA 21 -3.162 -5.936 1.615 156 H LEU 22 H LEU 22 -2.277 -9.047 -0.980 157 HA LEU 22 HA LEU 22 -2.776 -8.263 -3.763 158 HG LEU 22 HG LEU 22 -0.826 -11.122 -5.025 159 HB2 LEU 22 HB2 LEU 22 -0.798 -9.738 -3.142 160 HB3 LEU 22 HB3 LEU 22 -1.959 -10.987 -2.749 161 HD11 LEU 22 HD11 LEU 22 -2.765 -12.472 -4.511 162 HD12 LEU 22 HD12 LEU 22 -2.865 -11.877 -6.168 163 HD13 LEU 22 HD13 LEU 22 -3.837 -11.127 -4.902 164 HD21 LEU 22 HD21 LEU 22 -1.797 -9.781 -6.814 165 HD22 LEU 22 HD22 LEU 22 -0.994 -8.766 -5.615 166 HD23 LEU 22 HD23 LEU 22 -2.754 -8.888 -5.632 167 H VAL 23 H VAL 23 -4.933 -7.980 -3.875 168 HA VAL 23 HA VAL 23 -6.613 -10.239 -3.032 169 HB VAL 23 HB VAL 23 -7.567 -7.444 -3.674 170 HG11 VAL 23 HG11 VAL 23 -8.906 -9.766 -2.294 171 HG12 VAL 23 HG12 VAL 23 -9.263 -9.163 -3.913 172 HG13 VAL 23 HG13 VAL 23 -9.601 -8.158 -2.503 173 HG21 VAL 23 HG21 VAL 23 -6.082 -7.367 -1.741 174 HG22 VAL 23 HG22 VAL 23 -7.003 -8.658 -0.970 175 HG23 VAL 23 HG23 VAL 23 -7.756 -7.090 -1.261 176 H GLU 24 H GLU 24 -5.684 -11.200 -4.995 177 HA GLU 24 HA GLU 24 -5.653 -11.829 -7.157 178 HB2 GLU 24 HB2 GLU 24 -7.968 -12.314 -8.061 179 HB3 GLU 24 HB3 GLU 24 -7.531 -13.050 -6.529 180 HG2 GLU 24 HG2 GLU 24 -8.809 -11.307 -5.355 181 HG3 GLU 24 HG3 GLU 24 -9.279 -10.632 -6.915 182 H GLN 25 H GLN 25 -8.425 -9.639 -7.550 183 HA GLN 25 HA GLN 25 -7.411 -8.943 -10.150 184 HB2 GLN 25 HB2 GLN 25 -9.553 -7.692 -10.352 185 HB3 GLN 25 HB3 GLN 25 -9.750 -9.396 -9.972 186 HG2 GLN 25 HG2 GLN 25 -10.145 -8.832 -7.629 187 HG3 GLN 25 HG3 GLN 25 -9.941 -7.123 -8.004 188 HE21 GLN 25 HE21 GLN 25 -11.539 -9.330 -10.167 189 HE22 GLN 25 HE22 GLN 25 -13.131 -8.690 -9.965 190 H GLN 26 H GLN 26 -7.105 -7.579 -7.042 191 HA GLN 26 HA GLN 26 -5.939 -5.199 -8.259 192 HB2 GLN 26 HB2 GLN 26 -8.316 -5.205 -6.523 193 HB3 GLN 26 HB3 GLN 26 -7.071 -4.046 -6.082 194 HG2 GLN 26 HG2 GLN 26 -7.112 -3.236 -8.449 195 HG3 GLN 26 HG3 GLN 26 -8.516 -4.270 -8.707 196 HE21 GLN 26 HE21 GLN 26 -8.211 -1.357 -8.851 197 HE22 GLN 26 HE22 GLN 26 -9.390 -0.700 -7.768 198 H GLN 27 H GLN 27 -4.417 -4.119 -6.998 199 HA GLN 27 HA GLN 27 -3.475 -5.576 -4.617 200 HB2 GLN 27 HB2 GLN 27 -1.847 -3.858 -6.510 201 HB3 GLN 27 HB3 GLN 27 -1.231 -4.741 -5.119 202 HG2 GLN 27 HG2 GLN 27 -1.888 -6.854 -6.209 203 HG3 GLN 27 HG3 GLN 27 -2.407 -5.935 -7.621 204 HE21 GLN 27 HE21 GLN 27 0.298 -7.064 -5.767 205 HE22 GLN 27 HE22 GLN 27 1.509 -6.718 -6.946 206 H ILE 28 H ILE 28 -3.779 -4.496 -2.787 207 HA ILE 28 HA ILE 28 -4.046 -1.562 -2.935 208 HB ILE 28 HB ILE 28 -5.660 -3.483 -1.246 209 HG12 ILE 28 HG12 ILE 28 -6.459 -1.652 -3.521 210 HG13 ILE 28 HG13 ILE 28 -6.347 -3.406 -3.604 211 HG21 ILE 28 HG21 ILE 28 -5.175 -1.430 -0.016 212 HG22 ILE 28 HG22 ILE 28 -6.881 -1.522 -0.455 213 HG23 ILE 28 HG23 ILE 28 -5.792 -0.471 -1.361 214 HD11 ILE 28 HD11 ILE 28 -8.652 -2.653 -3.397 215 HD12 ILE 28 HD12 ILE 28 -8.260 -1.852 -1.875 216 HD13 ILE 28 HD13 ILE 28 -8.159 -3.608 -2.000 217 H ALA 29 H ALA 29 -2.919 -0.396 -1.490 218 HA ALA 29 HA ALA 29 -1.065 -1.841 0.226 219 HB1 ALA 29 HB1 ALA 29 -0.196 -0.071 -1.220 220 HB2 ALA 29 HB2 ALA 29 0.055 0.316 0.482 221 HB3 ALA 29 HB3 ALA 29 -1.242 1.101 -0.419 222 H VAL 30 H VAL 30 -1.327 -2.062 2.348 223 HA VAL 30 HA VAL 30 -3.471 -0.469 3.616 224 HB VAL 30 HB VAL 30 -2.256 -3.056 4.623 225 HG11 VAL 30 HG11 VAL 30 -3.213 -1.649 6.370 226 HG12 VAL 30 HG12 VAL 30 -4.186 -3.098 6.120 227 HG13 VAL 30 HG13 VAL 30 -4.729 -1.551 5.472 228 HG21 VAL 30 HG21 VAL 30 -3.436 -3.428 2.511 229 HG22 VAL 30 HG22 VAL 30 -4.865 -2.628 3.164 230 HG23 VAL 30 HG23 VAL 30 -4.307 -4.147 3.865 231 H PHE 31 H PHE 31 -2.618 1.262 4.488 232 HA PHE 31 HA PHE 31 0.023 1.327 5.619 233 HD1 PHE 31 HD2 PHE 31 -2.420 2.903 3.140 234 HD2 PHE 31 HD1 PHE 31 1.160 4.327 4.940 235 HE1 PHE 31 HE2 PHE 31 -1.630 3.674 0.945 236 HE2 PHE 31 HE1 PHE 31 1.955 5.110 2.746 237 HZ PHE 31 HZ PHE 31 0.556 4.782 0.747 238 HB2 PHE 31 HB2 PHE 31 -2.223 3.350 5.599 239 HB3 PHE 31 HB3 PHE 31 -0.636 3.658 6.288 240 H ARG 32 H ARG 32 0.544 0.791 7.629 241 HA ARG 32 HA ARG 32 -1.493 1.082 9.726 242 HE ARG 32 HE ARG 32 -2.691 -0.466 13.413 243 HB2 ARG 32 HB2 ARG 32 -0.322 -1.167 9.464 244 HB3 ARG 32 HB3 ARG 32 1.148 -0.354 9.979 245 HG2 ARG 32 HG2 ARG 32 0.355 -1.330 11.928 246 HG3 ARG 32 HG3 ARG 32 -0.206 0.340 12.052 247 HD2 ARG 32 HD2 ARG 32 -2.398 -0.376 11.145 248 HD3 ARG 32 HD3 ARG 32 -1.826 -2.044 11.160 249 HH11 ARG 32 HH11 ARG 32 -0.817 -3.273 12.434 250 HH12 ARG 32 HH12 ARG 32 -1.007 -4.074 13.961 251 HH21 ARG 32 HH21 ARG 32 -2.923 -1.546 15.411 252 HH22 ARG 32 HH22 ARG 32 -2.183 -3.101 15.642 253 HA PRO 33 HA PRO 33 1.245 4.752 9.938 254 HB2 PRO 33 HB2 PRO 33 -1.068 5.986 11.270 255 HB3 PRO 33 HB3 PRO 33 -0.206 6.501 9.818 256 HG2 PRO 33 HG2 PRO 33 -2.688 5.473 9.704 257 HG3 PRO 33 HG3 PRO 33 -1.491 5.194 8.427 258 HD2 PRO 33 HD2 PRO 33 -2.351 3.375 10.650 259 HD3 PRO 33 HD3 PRO 33 -2.023 2.994 8.946 260 H ARG 34 H ARG 34 -1.025 3.857 12.527 261 HA ARG 34 HA ARG 34 1.121 4.422 14.474 262 HE ARG 34 HE ARG 34 -1.553 8.940 14.430 263 HB2 ARG 34 HB2 ARG 34 -1.860 4.470 14.978 264 HB3 ARG 34 HB3 ARG 34 -0.595 4.945 16.101 265 HG2 ARG 34 HG2 ARG 34 -0.042 6.854 14.714 266 HG3 ARG 34 HG3 ARG 34 -1.247 6.354 13.518 267 HD2 ARG 34 HD2 ARG 34 -2.977 6.531 15.304 268 HD3 ARG 34 HD3 ARG 34 -1.748 7.214 16.366 269 HH11 ARG 34 HH11 ARG 34 -4.474 7.401 15.582 270 HH12 ARG 34 HH12 ARG 34 -5.508 8.737 15.170 271 HH21 ARG 34 HH21 ARG 34 -2.908 10.734 13.911 272 HH22 ARG 34 HH22 ARG 34 -4.609 10.649 14.273 273 H ASN 35 H ASN 35 1.012 3.065 16.452 274 HA ASN 35 HA ASN 35 0.211 0.336 15.899 275 HB2 ASN 35 HB2 ASN 35 2.248 0.793 17.239 276 HB3 ASN 35 HB3 ASN 35 1.252 1.561 18.472 277 HD21 ASN 35 HD21 ASN 35 1.937 0.080 20.033 278 HD22 ASN 35 HD22 ASN 35 1.343 -1.547 20.064 279 H ASP 36 H ASP 36 -1.984 0.980 15.474 280 HA ASP 36 HA ASP 36 -3.672 0.947 17.843 281 HB2 ASP 36 HB2 ASP 36 -3.163 3.365 17.315 282 HB3 ASP 36 HB3 ASP 36 -3.959 3.139 15.768 283 H GLU 37 H GLU 37 -6.095 1.147 16.863 284 HA GLU 37 HA GLU 37 -6.264 -1.176 15.167 285 HB2 GLU 37 HB2 GLU 37 -8.291 0.505 16.611 286 HB3 GLU 37 HB3 GLU 37 -8.790 -0.712 15.449 287 HG2 GLU 37 HG2 GLU 37 -8.900 -1.600 17.683 288 HG3 GLU 37 HG3 GLU 37 -7.652 -2.432 16.760 289 H GLN 38 H GLN 38 -6.031 2.105 14.582 290 HA GLN 38 HA GLN 38 -7.787 2.209 12.315 291 HB2 GLN 38 HB2 GLN 38 -6.607 4.434 11.899 292 HB3 GLN 38 HB3 GLN 38 -7.547 4.275 13.373 293 HG2 GLN 38 HG2 GLN 38 -5.762 5.129 14.384 294 HG3 GLN 38 HG3 GLN 38 -5.071 3.517 14.217 295 HE21 GLN 38 HE21 GLN 38 -5.155 6.749 12.920 296 HE22 GLN 38 HE22 GLN 38 -3.682 6.641 12.022 297 H VAL 39 H VAL 39 -7.401 1.725 10.294 298 HA VAL 39 HA VAL 39 -4.641 1.506 9.325 299 HB VAL 39 HB VAL 39 -5.253 -0.528 8.026 300 HG11 VAL 39 HG11 VAL 39 -5.510 -0.783 11.019 301 HG12 VAL 39 HG12 VAL 39 -4.015 -0.798 10.082 302 HG13 VAL 39 HG13 VAL 39 -5.175 -2.114 9.913 303 HG21 VAL 39 HG21 VAL 39 -7.242 -1.820 8.688 304 HG22 VAL 39 HG22 VAL 39 -7.666 -0.263 7.978 305 HG23 VAL 39 HG23 VAL 39 -7.748 -0.486 9.725 306 H TYR 40 H TYR 40 -4.459 1.707 6.998 307 HA TYR 40 HA TYR 40 -6.819 2.885 5.698 308 HD1 TYR 40 HD1 TYR 40 -7.618 5.096 5.973 309 HD2 TYR 40 HD2 TYR 40 -3.692 5.376 7.584 310 HE1 TYR 40 HE1 TYR 40 -8.434 6.683 7.665 311 HE2 TYR 40 HE2 TYR 40 -4.497 6.959 9.286 312 HH TYR 40 HH TYR 40 -6.399 8.579 9.549 313 HB2 TYR 40 HB2 TYR 40 -4.029 4.042 5.752 314 HB3 TYR 40 HB3 TYR 40 -5.285 4.569 4.639 315 H ALA 41 H ALA 41 -7.246 1.482 4.119 316 HA ALA 41 HA ALA 41 -5.009 0.372 2.586 317 HB1 ALA 41 HB1 ALA 41 -6.567 -1.244 3.564 318 HB2 ALA 41 HB2 ALA 41 -6.569 -1.316 1.802 319 HB3 ALA 41 HB3 ALA 41 -7.889 -0.512 2.654 320 H ILE 42 H ILE 42 -4.491 1.611 0.904 321 HA ILE 42 HA ILE 42 -6.656 2.446 -0.909 322 HB ILE 42 HB ILE 42 -5.515 4.531 -1.427 323 HG12 ILE 42 HG12 ILE 42 -3.601 3.878 0.823 324 HG13 ILE 42 HG13 ILE 42 -3.215 3.704 -0.886 325 HG21 ILE 42 HG21 ILE 42 -6.000 4.187 1.529 326 HG22 ILE 42 HG22 ILE 42 -7.200 4.601 0.304 327 HG23 ILE 42 HG23 ILE 42 -5.903 5.733 0.687 328 HD11 ILE 42 HD11 ILE 42 -3.930 6.274 0.511 329 HD12 ILE 42 HD12 ILE 42 -3.551 6.102 -1.203 330 HD13 ILE 42 HD13 ILE 42 -2.314 5.773 0.011 331 H SER 43 H SER 43 -5.859 2.840 -3.141 332 HA SER 43 HA SER 43 -3.957 0.793 -3.870 333 HG SER 43 HG SER 43 -6.047 0.028 -5.581 334 HB2 SER 43 HB2 SER 43 -5.519 2.746 -5.574 335 HB3 SER 43 HB3 SER 43 -4.552 1.405 -6.187 336 H ASN 44 H ASN 44 -2.003 1.521 -3.100 337 HA ASN 44 HA ASN 44 -0.864 3.859 -4.488 338 HB2 ASN 44 HB2 ASN 44 -1.462 4.093 -1.940 339 HB3 ASN 44 HB3 ASN 44 -0.034 3.094 -1.700 340 HD21 ASN 44 HD21 ASN 44 -0.416 5.773 -0.804 341 HD22 ASN 44 HD22 ASN 44 0.800 6.738 -1.563 342 H ILE 45 H ILE 45 -0.688 1.338 -5.503 343 HA ILE 45 HA ILE 45 1.958 0.308 -4.685 344 HB ILE 45 HB ILE 45 -0.202 -1.089 -6.287 345 HG12 ILE 45 HG12 ILE 45 -0.952 -0.752 -3.994 346 HG13 ILE 45 HG13 ILE 45 -0.549 -2.449 -4.245 347 HG21 ILE 45 HG21 ILE 45 2.353 -2.149 -5.087 348 HG22 ILE 45 HG22 ILE 45 2.044 -1.877 -6.801 349 HG23 ILE 45 HG23 ILE 45 1.131 -3.106 -5.925 350 HD11 ILE 45 HD11 ILE 45 0.229 -1.644 -2.089 351 HD12 ILE 45 HD12 ILE 45 1.201 -0.412 -2.893 352 HD13 ILE 45 HD13 ILE 45 1.578 -2.119 -3.121 353 H ASP 46 H ASP 46 3.602 0.552 -6.050 354 HA ASP 46 HA ASP 46 3.150 1.555 -8.733 355 HB2 ASP 46 HB2 ASP 46 5.005 2.496 -7.424 356 HB3 ASP 46 HB3 ASP 46 5.721 0.894 -7.273 357 HA PRO 47 HA PRO 47 2.854 -2.636 -10.188 358 HB2 PRO 47 HB2 PRO 47 2.945 -1.419 -12.866 359 HB3 PRO 47 HB3 PRO 47 1.660 -2.359 -12.103 360 HG2 PRO 47 HG2 PRO 47 1.415 0.281 -12.508 361 HG3 PRO 47 HG3 PRO 47 0.736 -0.509 -11.071 362 HD2 PRO 47 HD2 PRO 47 3.267 1.077 -11.346 363 HD3 PRO 47 HD3 PRO 47 2.050 1.120 -10.053 364 H PHE 48 H PHE 48 5.433 -0.487 -10.833 365 HA PHE 48 HA PHE 48 6.887 -2.449 -12.435 366 HD1 PHE 48 HD2 PHE 48 6.971 -1.231 -14.846 367 HD2 PHE 48 HD1 PHE 48 6.170 1.855 -12.024 368 HE1 PHE 48 HE2 PHE 48 5.463 -0.146 -16.463 369 HE2 PHE 48 HE1 PHE 48 4.661 2.939 -13.632 370 HZ PHE 48 HZ PHE 48 4.304 1.941 -15.854 371 HB2 PHE 48 HB2 PHE 48 7.815 0.291 -11.560 372 HB3 PHE 48 HB3 PHE 48 8.488 -0.709 -12.847 373 H ALA 49 H ALA 49 6.558 -1.389 -9.218 374 HA ALA 49 HA ALA 49 9.109 -2.630 -8.436 375 HB1 ALA 49 HB1 ALA 49 8.794 -0.346 -7.639 376 HB2 ALA 49 HB2 ALA 49 8.805 -1.483 -6.290 377 HB3 ALA 49 HB3 ALA 49 7.279 -0.816 -6.868 378 H GLN 50 H GLN 50 5.683 -2.841 -8.296 379 HA GLN 50 HA GLN 50 4.306 -4.571 -7.865 380 HB2 GLN 50 HB2 GLN 50 6.853 -6.157 -7.483 381 HB3 GLN 50 HB3 GLN 50 5.246 -6.839 -7.682 382 HG2 GLN 50 HG2 GLN 50 5.116 -6.154 -9.929 383 HG3 GLN 50 HG3 GLN 50 6.498 -5.072 -9.757 384 HE21 GLN 50 HE21 GLN 50 8.037 -7.027 -8.235 385 HE22 GLN 50 HE22 GLN 50 8.587 -8.205 -9.373 386 H ALA 51 H ALA 51 5.253 -2.816 -5.723 387 HA ALA 51 HA ALA 51 4.272 -4.311 -3.446 388 HB1 ALA 51 HB1 ALA 51 7.108 -3.270 -3.416 389 HB2 ALA 51 HB2 ALA 51 6.635 -4.969 -3.437 390 HB3 ALA 51 HB3 ALA 51 6.239 -3.960 -2.046 391 H SER 52 H SER 52 4.421 -2.865 -1.444 392 HA SER 52 HA SER 52 3.275 -0.322 -2.126 393 HG SER 52 HG SER 52 3.994 -1.799 1.522 394 HB2 SER 52 HB2 SER 52 3.183 -0.186 0.459 395 HB3 SER 52 HB3 SER 52 2.208 -1.417 -0.346 396 H VAL 53 H VAL 53 5.686 -0.114 -3.125 397 HA VAL 53 HA VAL 53 7.715 0.721 -1.288 398 HB VAL 53 HB VAL 53 8.950 1.477 -3.297 399 HG11 VAL 53 HG11 VAL 53 7.703 -1.263 -3.510 400 HG12 VAL 53 HG12 VAL 53 9.142 -0.834 -2.586 401 HG13 VAL 53 HG13 VAL 53 9.164 -0.743 -4.345 402 HG21 VAL 53 HG21 VAL 53 6.481 0.592 -4.797 403 HG22 VAL 53 HG22 VAL 53 8.009 1.093 -5.522 404 HG23 VAL 53 HG23 VAL 53 7.039 2.256 -4.619 405 H LEU 54 H LEU 54 5.036 2.229 -2.739 406 HA LEU 54 HA LEU 54 6.045 4.917 -2.262 407 HG LEU 54 HG LEU 54 4.867 3.253 -4.873 408 HB2 LEU 54 HB2 LEU 54 3.305 4.073 -3.212 409 HB3 LEU 54 HB3 LEU 54 4.003 5.678 -3.303 410 HD11 LEU 54 HD11 LEU 54 2.795 4.294 -5.647 411 HD12 LEU 54 HD12 LEU 54 4.111 4.527 -6.796 412 HD13 LEU 54 HD13 LEU 54 3.618 5.852 -5.743 413 HD21 LEU 54 HD21 LEU 54 6.449 4.746 -5.985 414 HD22 LEU 54 HD22 LEU 54 6.802 4.605 -4.261 415 HD23 LEU 54 HD23 LEU 54 5.998 6.046 -4.883 416 H SER 55 H SER 55 4.665 2.478 -0.539 417 HA SER 55 HA SER 55 3.083 4.214 1.205 418 HG SER 55 HG SER 55 2.033 2.782 -0.505 419 HB2 SER 55 HB2 SER 55 3.324 1.206 1.338 420 HB3 SER 55 HB3 SER 55 2.060 2.223 2.030 421 H ARG 56 H ARG 56 5.881 2.085 1.143 422 HA ARG 56 HA ARG 56 6.407 2.550 3.957 423 HE ARG 56 HE ARG 56 9.881 -0.078 5.955 424 HB2 ARG 56 HB2 ARG 56 6.841 0.317 2.852 425 HB3 ARG 56 HB3 ARG 56 8.175 1.079 1.991 426 HG2 ARG 56 HG2 ARG 56 9.256 1.610 4.099 427 HG3 ARG 56 HG3 ARG 56 7.904 0.912 4.986 428 HD2 ARG 56 HD2 ARG 56 8.405 -1.276 3.907 429 HD3 ARG 56 HD3 ARG 56 9.839 -0.539 3.184 430 HH11 ARG 56 HH11 ARG 56 10.242 -2.736 3.690 431 HH12 ARG 56 HH12 ARG 56 11.279 -3.646 4.748 432 HH21 ARG 56 HH21 ARG 56 11.192 -1.306 7.357 433 HH22 ARG 56 HH22 ARG 56 11.805 -2.843 6.827 434 H GLY 57 H GLY 57 6.351 4.888 3.114 435 HA2 GLY 57 HA2 GLY 57 9.158 5.704 2.686 436 HA3 GLY 57 HA3 GLY 57 7.784 6.626 2.091 437 H ILE 58 H ILE 58 8.513 8.468 3.231 438 HA ILE 58 HA ILE 58 8.511 8.277 6.151 439 HB ILE 58 HB ILE 58 9.258 10.585 4.338 440 HG12 ILE 58 HG12 ILE 58 11.524 10.206 5.489 441 HG13 ILE 58 HG13 ILE 58 10.878 8.650 5.995 442 HG21 ILE 58 HG21 ILE 58 9.392 10.431 7.347 443 HG22 ILE 58 HG22 ILE 58 8.252 11.399 6.412 444 HG23 ILE 58 HG23 ILE 58 9.977 11.761 6.348 445 HD11 ILE 58 HD11 ILE 58 11.239 9.589 3.157 446 HD12 ILE 58 HD12 ILE 58 10.564 8.035 3.645 447 HD13 ILE 58 HD13 ILE 58 12.245 8.422 4.014 448 H VAL 59 H VAL 59 6.742 8.655 7.223 449 HA VAL 59 HA VAL 59 4.396 9.749 6.060 450 HB VAL 59 HB VAL 59 5.050 9.209 8.964 451 HG11 VAL 59 HG11 VAL 59 2.605 9.217 9.300 452 HG12 VAL 59 HG12 VAL 59 2.390 9.724 7.625 453 HG13 VAL 59 HG13 VAL 59 3.207 10.787 8.770 454 HG21 VAL 59 HG21 VAL 59 5.170 7.201 7.590 455 HG22 VAL 59 HG22 VAL 59 3.558 7.530 6.952 456 HG23 VAL 59 HG23 VAL 59 3.769 7.148 8.660 457 H ALA 60 H ALA 60 4.566 11.793 5.427 458 HA ALA 60 HA ALA 60 5.856 13.783 7.113 459 HB1 ALA 60 HB1 ALA 60 5.591 15.279 5.196 460 HB2 ALA 60 HB2 ALA 60 4.684 14.029 4.343 461 HB3 ALA 60 HB3 ALA 60 6.385 13.775 4.733 462 H GLU 61 H GLU 61 4.736 14.938 8.508 463 HA GLU 61 HA GLU 61 1.821 14.960 8.315 464 HB2 GLU 61 HB2 GLU 61 2.837 14.261 10.445 465 HB3 GLU 61 HB3 GLU 61 3.667 15.804 10.564 466 HG2 GLU 61 HG2 GLU 61 1.433 16.915 10.629 467 HG3 GLU 61 HG3 GLU 61 0.705 15.313 10.716 468 H HIS 62 H HIS 62 0.683 16.719 7.814 469 HA HIS 62 HA HIS 62 2.105 19.243 7.388 470 HD2 HIS 62 HD2 HIS 62 1.768 19.806 4.087 471 HE1 HIS 62 HE1 HIS 62 -0.480 23.222 5.171 472 HE2 HIS 62 HE2 HIS 62 1.114 22.239 3.466 473 HB2 HIS 62 HB2 HIS 62 0.405 18.079 5.743 474 HB3 HIS 62 HB3 HIS 62 -0.810 18.801 6.792 475 H GLN 63 H GLN 63 -0.305 20.867 7.843 476 HA GLN 63 HA GLN 63 -0.080 21.082 10.710 477 HB2 GLN 63 HB2 GLN 63 -1.824 22.591 8.755 478 HB3 GLN 63 HB3 GLN 63 -1.666 22.971 10.464 479 HG2 GLN 63 HG2 GLN 63 0.780 23.294 10.080 480 HG3 GLN 63 HG3 GLN 63 0.462 23.139 8.353 481 HE21 GLN 63 HE21 GLN 63 1.490 25.400 9.907 482 HE22 GLN 63 HE22 GLN 63 0.412 26.720 9.591 483 H ASP 64 H ASP 64 -2.353 19.792 8.414 484 HA ASP 64 HA ASP 64 -4.012 18.863 10.665 485 HB2 ASP 64 HB2 ASP 64 -5.156 20.682 9.429 486 HB3 ASP 64 HB3 ASP 64 -5.014 19.746 7.944 487 H ASP 65 H ASP 65 -2.774 18.262 7.430 488 HA ASP 65 HA ASP 65 -4.115 15.677 7.321 489 HB2 ASP 65 HB2 ASP 65 -2.568 17.205 5.226 490 HB3 ASP 65 HB3 ASP 65 -3.330 15.643 4.955 491 H LEU 66 H LEU 66 -3.020 13.790 6.617 492 HA LEU 66 HA LEU 66 -0.195 13.663 7.430 493 HG LEU 66 HG LEU 66 -2.468 13.078 9.459 494 HB2 LEU 66 HB2 LEU 66 -2.322 11.518 7.546 495 HB3 LEU 66 HB3 LEU 66 -0.628 11.257 7.903 496 HD11 LEU 66 HD11 LEU 66 -2.285 11.380 11.217 497 HD12 LEU 66 HD12 LEU 66 -1.367 10.350 10.119 498 HD13 LEU 66 HD13 LEU 66 -3.050 10.740 9.762 499 HD21 LEU 66 HD21 LEU 66 -0.614 13.159 11.071 500 HD22 LEU 66 HD22 LEU 66 -0.165 13.850 9.511 501 HD23 LEU 66 HD23 LEU 66 0.386 12.234 9.951 502 H TRP 67 H TRP 67 1.184 13.213 5.853 503 HA TRP 67 HA TRP 67 0.120 12.038 3.363 504 HD1 TRP 67 HD1 TRP 67 0.348 15.447 5.167 505 HE1 TRP 67 HE1 TRP 67 -1.289 17.208 4.238 506 HE3 TRP 67 HE3 TRP 67 0.486 14.189 0.198 507 HZ2 TRP 67 HZ2 TRP 67 -2.384 17.954 1.753 508 HZ3 TRP 67 HZ3 TRP 67 -0.893 15.476 -1.376 509 HH2 TRP 67 HH2 TRP 67 -2.298 17.318 -0.615 510 HB2 TRP 67 HB2 TRP 67 2.364 14.055 3.632 511 HB3 TRP 67 HB3 TRP 67 1.715 13.413 2.129 512 H VAL 68 H VAL 68 1.794 10.921 2.047 513 HA VAL 68 HA VAL 68 4.028 9.940 3.693 514 HB VAL 68 HB VAL 68 2.398 8.138 3.340 515 HG11 VAL 68 HG11 VAL 68 1.412 8.853 1.245 516 HG12 VAL 68 HG12 VAL 68 2.023 7.204 1.106 517 HG13 VAL 68 HG13 VAL 68 2.930 8.544 0.402 518 HG21 VAL 68 HG21 VAL 68 3.942 6.466 2.399 519 HG22 VAL 68 HG22 VAL 68 4.729 7.541 3.554 520 HG23 VAL 68 HG23 VAL 68 4.978 7.773 1.823 521 H ALA 69 H ALA 69 5.979 10.290 2.913 522 HA ALA 69 HA ALA 69 6.263 11.360 0.213 523 HB1 ALA 69 HB1 ALA 69 8.305 11.130 2.426 524 HB2 ALA 69 HB2 ALA 69 7.325 12.554 2.077 525 HB3 ALA 69 HB3 ALA 69 8.510 11.991 0.900 526 H SER 70 H SER 70 6.435 9.862 -1.311 527 HA SER 70 HA SER 70 7.508 7.263 -0.815 528 HG SER 70 HG SER 70 5.819 9.453 -3.211 529 HB2 SER 70 HB2 SER 70 7.229 7.014 -3.323 530 HB3 SER 70 HB3 SER 70 5.761 7.415 -2.433 531 HA PRO 71 HA PRO 71 11.772 8.286 -1.435 532 HB2 PRO 71 HB2 PRO 71 12.714 5.775 -1.939 533 HB3 PRO 71 HB3 PRO 71 12.310 6.358 -0.321 534 HG2 PRO 71 HG2 PRO 71 10.695 4.656 -2.178 535 HG3 PRO 71 HG3 PRO 71 10.927 4.495 -0.427 536 HD2 PRO 71 HD2 PRO 71 8.697 5.581 -1.489 537 HD3 PRO 71 HD3 PRO 71 9.375 6.136 0.056 538 H LEU 72 H LEU 72 10.160 6.170 -3.773 539 HA LEU 72 HA LEU 72 12.201 6.577 -5.764 540 HG LEU 72 HG LEU 72 10.754 4.015 -4.387 541 HB2 LEU 72 HB2 LEU 72 9.496 5.276 -6.048 542 HB3 LEU 72 HB3 LEU 72 10.826 5.159 -7.182 543 HD11 LEU 72 HD11 LEU 72 10.811 1.862 -5.522 544 HD12 LEU 72 HD12 LEU 72 10.785 2.673 -7.087 545 HD13 LEU 72 HD13 LEU 72 9.395 2.793 -6.008 546 HD21 LEU 72 HD21 LEU 72 12.998 4.797 -4.975 547 HD22 LEU 72 HD22 LEU 72 12.933 3.860 -6.467 548 HD23 LEU 72 HD23 LEU 72 12.920 3.037 -4.906 549 H LYS 73 H LYS 73 8.714 7.331 -5.632 550 HA LYS 73 HA LYS 73 8.878 8.921 -8.020 551 HB2 LYS 73 HB2 LYS 73 6.586 8.717 -6.061 552 HB3 LYS 73 HB3 LYS 73 6.505 9.278 -7.723 553 HG2 LYS 73 HG2 LYS 73 7.280 6.482 -6.939 554 HG3 LYS 73 HG3 LYS 73 5.639 6.979 -7.350 555 HD2 LYS 73 HD2 LYS 73 6.314 7.562 -9.578 556 HD3 LYS 73 HD3 LYS 73 8.014 7.294 -9.180 557 HE2 LYS 73 HE2 LYS 73 7.642 4.952 -8.883 558 HE3 LYS 73 HE3 LYS 73 5.899 5.156 -9.023 559 HZ1 LYS 73 HZ1 LYS 73 6.040 5.497 -11.290 560 HZ2 LYS 73 HZ2 LYS 73 7.210 4.298 -11.032 561 HZ3 LYS 73 HZ3 LYS 73 7.678 5.913 -11.248 562 H LYS 74 H LYS 74 8.898 9.479 -4.597 563 HA LYS 74 HA LYS 74 9.135 11.284 -3.283 564 HB2 LYS 74 HB2 LYS 74 10.093 12.531 -5.853 565 HB3 LYS 74 HB3 LYS 74 10.094 13.385 -4.313 566 HG2 LYS 74 HG2 LYS 74 11.475 11.481 -3.400 567 HG3 LYS 74 HG3 LYS 74 11.644 10.925 -5.064 568 HD2 LYS 74 HD2 LYS 74 12.795 12.895 -5.700 569 HD3 LYS 74 HD3 LYS 74 12.387 13.703 -4.184 570 HE2 LYS 74 HE2 LYS 74 14.152 11.279 -4.472 571 HE3 LYS 74 HE3 LYS 74 14.710 12.930 -4.202 572 HZ1 LYS 74 HZ1 LYS 74 14.606 11.551 -2.166 573 HZ2 LYS 74 HZ2 LYS 74 12.925 11.458 -2.337 574 HZ3 LYS 74 HZ3 LYS 74 13.666 12.958 -2.071 575 H GLN 75 H GLN 75 6.706 10.732 -5.013 576 HA GLN 75 HA GLN 75 5.376 13.303 -4.962 577 HB2 GLN 75 HB2 GLN 75 4.257 10.545 -5.520 578 HB3 GLN 75 HB3 GLN 75 3.421 12.069 -5.775 579 HG2 GLN 75 HG2 GLN 75 5.056 12.695 -7.472 580 HG3 GLN 75 HG3 GLN 75 5.911 11.175 -7.212 581 HE21 GLN 75 HE21 GLN 75 2.432 11.480 -7.173 582 HE22 GLN 75 HE22 GLN 75 2.148 10.591 -8.621 583 H HIS 76 H HIS 76 3.899 13.931 -3.443 584 HA HIS 76 HA HIS 76 3.969 12.382 -0.961 585 HD1 HIS 76 HD1 HIS 76 5.573 15.381 -2.719 586 HD2 HIS 76 HD2 HIS 76 5.585 14.623 1.373 587 HE1 HIS 76 HE1 HIS 76 7.921 15.854 -1.949 588 HE2 HIS 76 HE2 HIS 76 7.854 15.573 0.554 589 HB2 HIS 76 HB2 HIS 76 3.155 15.245 -1.490 590 HB3 HIS 76 HB3 HIS 76 3.181 14.481 0.097 591 H PHE 77 H PHE 77 2.384 10.963 -0.832 592 HA PHE 77 HA PHE 77 -0.237 11.609 -1.961 593 HD1 PHE 77 HD2 PHE 77 -0.491 9.886 -4.180 594 HD2 PHE 77 HD1 PHE 77 2.770 8.504 -1.818 595 HE1 PHE 77 HE2 PHE 77 0.761 9.345 -6.228 596 HE2 PHE 77 HE1 PHE 77 4.022 7.949 -3.862 597 HZ PHE 77 HZ PHE 77 3.017 8.372 -6.071 598 HB2 PHE 77 HB2 PHE 77 0.721 8.985 -0.798 599 HB3 PHE 77 HB3 PHE 77 -0.734 9.250 -1.751 600 H ARG 78 H ARG 78 -1.886 12.207 -0.676 601 HA ARG 78 HA ARG 78 -1.591 12.221 2.173 602 HE ARG 78 HE ARG 78 -5.753 14.189 0.774 603 HB2 ARG 78 HB2 ARG 78 -2.897 13.949 0.990 604 HB3 ARG 78 HB3 ARG 78 -4.055 12.724 0.491 605 HG2 ARG 78 HG2 ARG 78 -4.939 12.502 2.605 606 HG3 ARG 78 HG3 ARG 78 -3.486 13.122 3.390 607 HD2 ARG 78 HD2 ARG 78 -5.331 14.723 3.510 608 HD3 ARG 78 HD3 ARG 78 -3.975 15.357 2.584 609 HH11 ARG 78 HH11 ARG 78 -5.716 16.831 3.067 610 HH12 ARG 78 HH12 ARG 78 -6.817 17.818 2.151 611 HH21 ARG 78 HH21 ARG 78 -7.216 15.447 -0.426 612 HH22 ARG 78 HH22 ARG 78 -7.686 17.015 0.156 613 H LEU 79 H LEU 79 -1.926 10.612 3.492 614 HA LEU 79 HA LEU 79 -2.135 8.018 2.660 615 HG LEU 79 HG LEU 79 -0.607 9.752 4.785 616 HB2 LEU 79 HB2 LEU 79 -2.910 9.102 5.364 617 HB3 LEU 79 HB3 LEU 79 -2.525 7.430 5.009 618 HD11 LEU 79 HD11 LEU 79 -1.173 9.201 7.100 619 HD12 LEU 79 HD12 LEU 79 0.489 8.751 6.723 620 HD13 LEU 79 HD13 LEU 79 -0.765 7.512 6.802 621 HD21 LEU 79 HD21 LEU 79 -0.152 7.986 3.156 622 HD22 LEU 79 HD22 LEU 79 -0.156 6.789 4.452 623 HD23 LEU 79 HD23 LEU 79 1.086 8.040 4.411 624 H TYR 80 H TYR 80 -4.778 9.808 4.246 625 HA TYR 80 HA TYR 80 -6.558 7.558 3.700 626 HD1 TYR 80 HD2 TYR 80 -7.852 11.461 4.670 627 HD2 TYR 80 HD1 TYR 80 -5.077 9.341 7.102 628 HE1 TYR 80 HE2 TYR 80 -7.012 13.592 5.567 629 HE2 TYR 80 HE1 TYR 80 -4.234 11.465 8.004 630 HH TYR 80 HH TYR 80 -5.838 14.446 7.498 631 HB2 TYR 80 HB2 TYR 80 -8.104 8.979 5.230 632 HB3 TYR 80 HB3 TYR 80 -6.724 8.150 5.944 633 H ASP 81 H ASP 81 -5.753 9.531 1.592 634 HA ASP 81 HA ASP 81 -8.461 10.288 0.802 635 HB2 ASP 81 HB2 ASP 81 -7.803 12.306 1.800 636 HB3 ASP 81 HB3 ASP 81 -6.172 12.203 1.148 637 H GLY 82 H GLY 82 -5.073 10.634 -0.310 638 HA2 GLY 82 HA2 GLY 82 -4.430 9.168 -2.188 639 HA3 GLY 82 HA3 GLY 82 -5.996 9.531 -2.891 640 H PHE 83 H PHE 83 -5.471 12.427 -1.845 641 HA PHE 83 HA PHE 83 -4.664 13.559 -4.255 642 HD1 PHE 83 HD2 PHE 83 -5.658 15.347 -4.977 643 HD2 PHE 83 HD1 PHE 83 -3.511 17.035 -1.717 644 HE1 PHE 83 HE2 PHE 83 -5.405 17.442 -6.238 645 HE2 PHE 83 HE1 PHE 83 -3.252 19.136 -2.972 646 HZ PHE 83 HZ PHE 83 -4.201 19.342 -5.236 647 HB2 PHE 83 HB2 PHE 83 -5.814 14.667 -2.248 648 HB3 PHE 83 HB3 PHE 83 -4.201 14.860 -1.575 649 H CYS 84 H CYS 84 -2.760 13.849 -5.205 650 HA CYS 84 HA CYS 84 -0.396 12.808 -3.835 651 HG CYS 84 HG CYS 84 -2.414 11.190 -5.231 652 HB2 CYS 84 HB2 CYS 84 -0.737 13.445 -6.767 653 HB3 CYS 84 HB3 CYS 84 0.509 12.444 -6.027 654 H LEU 85 H LEU 85 -1.269 15.382 -3.132 655 HA LEU 85 HA LEU 85 -0.500 17.452 -2.698 656 HG LEU 85 HG LEU 85 1.983 18.974 -3.735 657 HB2 LEU 85 HB2 LEU 85 1.653 16.326 -2.318 658 HB3 LEU 85 HB3 LEU 85 2.046 16.506 -4.018 659 HD11 LEU 85 HD11 LEU 85 1.995 19.912 -1.484 660 HD12 LEU 85 HD12 LEU 85 1.704 18.311 -0.805 661 HD13 LEU 85 HD13 LEU 85 0.478 19.078 -1.817 662 HD21 LEU 85 HD21 LEU 85 4.105 19.139 -2.525 663 HD22 LEU 85 HD22 LEU 85 4.096 17.764 -3.630 664 HD23 LEU 85 HD23 LEU 85 3.876 17.507 -1.900 665 H GLU 86 H GLU 86 1.292 16.987 -5.731 666 HA GLU 86 HA GLU 86 -0.508 18.905 -7.027 667 HB2 GLU 86 HB2 GLU 86 2.509 19.121 -7.065 668 HB3 GLU 86 HB3 GLU 86 1.392 20.162 -7.937 669 HG2 GLU 86 HG2 GLU 86 0.492 20.985 -5.830 670 HG3 GLU 86 HG3 GLU 86 1.575 19.916 -4.943 671 H ASP 87 H ASP 87 1.890 16.381 -7.254 672 HA ASP 87 HA ASP 87 1.777 16.207 -10.121 673 HB2 ASP 87 HB2 ASP 87 3.043 14.426 -8.036 674 HB3 ASP 87 HB3 ASP 87 3.137 14.115 -9.765 675 H GLY 88 H GLY 88 -0.287 15.779 -10.744 676 HA2 GLY 88 HA2 GLY 88 -1.687 13.503 -9.536 677 HA3 GLY 88 HA3 GLY 88 -2.386 14.697 -10.624 678 H ALA 89 H ALA 89 0.654 13.355 -11.459 679 HA ALA 89 HA ALA 89 -0.180 12.402 -13.950 680 HB1 ALA 89 HB1 ALA 89 2.037 11.405 -14.126 681 HB2 ALA 89 HB2 ALA 89 2.284 11.620 -12.393 682 HB3 ALA 89 HB3 ALA 89 2.133 13.028 -13.445 683 H TYR 90 H TYR 90 0.233 10.743 -10.868 684 HA TYR 90 HA TYR 90 -0.639 8.243 -12.121 685 HD1 TYR 90 HD2 TYR 90 2.767 9.151 -11.307 686 HD2 TYR 90 HD1 TYR 90 0.579 5.518 -11.002 687 HE1 TYR 90 HE2 TYR 90 4.525 7.995 -12.578 688 HE2 TYR 90 HE1 TYR 90 2.329 4.348 -12.273 689 HH TYR 90 HH TYR 90 4.091 4.912 -13.913 690 HB2 TYR 90 HB2 TYR 90 0.929 8.868 -9.667 691 HB3 TYR 90 HB3 TYR 90 -0.040 7.397 -9.677 692 H SER 91 H SER 91 -1.385 10.311 -9.339 693 HA SER 91 HA SER 91 -3.158 10.451 -7.950 694 HG SER 91 HG SER 91 -4.128 9.098 -10.950 695 HB2 SER 91 HB2 SER 91 -5.409 10.453 -9.109 696 HB3 SER 91 HB3 SER 91 -4.209 11.562 -9.765 697 H VAL 92 H VAL 92 -3.015 8.838 -6.501 698 HA VAL 92 HA VAL 92 -3.668 6.128 -7.165 699 HB VAL 92 HB VAL 92 -3.244 5.627 -4.806 700 HG11 VAL 92 HG11 VAL 92 -1.181 7.483 -5.990 701 HG12 VAL 92 HG12 VAL 92 -1.376 5.775 -6.383 702 HG13 VAL 92 HG13 VAL 92 -0.892 6.254 -4.756 703 HG21 VAL 92 HG21 VAL 92 -4.189 7.635 -3.793 704 HG22 VAL 92 HG22 VAL 92 -2.888 8.607 -4.483 705 HG23 VAL 92 HG23 VAL 92 -2.526 7.387 -3.262 706 H ALA 93 H ALA 93 -5.242 4.858 -5.888 707 HA ALA 93 HA ALA 93 -7.758 6.362 -5.722 708 HB1 ALA 93 HB1 ALA 93 -7.682 4.550 -7.381 709 HB2 ALA 93 HB2 ALA 93 -8.886 4.249 -6.127 710 HB3 ALA 93 HB3 ALA 93 -7.344 3.397 -6.089 711 H ALA 94 H ALA 94 -9.277 5.830 -4.042 712 HA ALA 94 HA ALA 94 -8.055 4.637 -1.646 713 HB1 ALA 94 HB1 ALA 94 -9.012 6.400 -0.264 714 HB2 ALA 94 HB2 ALA 94 -9.655 7.195 -1.701 715 HB3 ALA 94 HB3 ALA 94 -7.911 7.077 -1.464 716 H TYR 95 H TYR 95 -9.225 2.853 -1.373 717 HA TYR 95 HA TYR 95 -12.102 2.907 -1.895 718 HD1 TYR 95 HD2 TYR 95 -12.934 1.154 -3.870 719 HD2 TYR 95 HD1 TYR 95 -8.737 0.840 -3.278 720 HE1 TYR 95 HE2 TYR 95 -12.602 1.106 -6.305 721 HE2 TYR 95 HE1 TYR 95 -8.395 0.796 -5.711 722 HH TYR 95 HH TYR 95 -10.871 1.561 -7.946 723 HB2 TYR 95 HB2 TYR 95 -10.198 0.604 -1.435 724 HB3 TYR 95 HB3 TYR 95 -11.932 0.422 -1.676 725 H ASP 96 H ASP 96 -13.202 1.138 -0.313 726 HA ASP 96 HA ASP 96 -12.961 2.351 2.319 727 HB2 ASP 96 HB2 ASP 96 -15.008 0.573 1.026 728 HB3 ASP 96 HB3 ASP 96 -15.010 0.834 2.767 729 H THR 97 H THR 97 -12.989 1.042 4.255 730 HA THR 97 HA THR 97 -11.866 -1.645 4.055 731 HB THR 97 HB THR 97 -10.419 0.423 5.709 732 HG1 THR 97 HG1 THR 97 -10.341 0.094 2.985 733 HG21 THR 97 HG21 THR 97 -8.574 -1.198 5.573 734 HG22 THR 97 HG22 THR 97 -9.598 -2.265 4.610 735 HG23 THR 97 HG23 THR 97 -10.023 -1.908 6.284 736 H GLN 98 H GLN 98 -11.853 -2.701 6.197 737 HA GLN 98 HA GLN 98 -13.037 -1.365 8.444 738 HB2 GLN 98 HB2 GLN 98 -15.082 -2.577 8.609 739 HB3 GLN 98 HB3 GLN 98 -15.022 -1.907 6.988 740 HG2 GLN 98 HG2 GLN 98 -14.274 -4.082 6.133 741 HG3 GLN 98 HG3 GLN 98 -14.390 -4.747 7.760 742 HE21 GLN 98 HE21 GLN 98 -16.824 -3.093 8.270 743 HE22 GLN 98 HE22 GLN 98 -18.101 -3.909 7.439 744 H VAL 99 H VAL 99 -13.052 -2.625 10.336 745 HA VAL 99 HA VAL 99 -11.796 -5.282 10.183 746 HB VAL 99 HB VAL 99 -11.155 -3.234 12.322 747 HG11 VAL 99 HG11 VAL 99 -9.958 -5.926 11.703 748 HG12 VAL 99 HG12 VAL 99 -10.978 -5.522 13.084 749 HG13 VAL 99 HG13 VAL 99 -9.374 -4.804 12.933 750 HG21 VAL 99 HG21 VAL 99 -9.492 -4.071 9.951 751 HG22 VAL 99 HG22 VAL 99 -8.917 -3.088 11.298 752 HG23 VAL 99 HG23 VAL 99 -10.187 -2.477 10.236 753 H THR 100 H THR 100 -12.955 -6.781 11.319 754 HA THR 100 HA THR 100 -14.864 -5.783 13.306 755 HB THR 100 HB THR 100 -16.135 -5.939 11.254 756 HG1 THR 100 HG1 THR 100 -16.628 -7.702 13.365 757 HG21 THR 100 HG21 THR 100 -15.271 -8.829 11.162 758 HG22 THR 100 HG22 THR 100 -14.764 -7.557 10.053 759 HG23 THR 100 HG23 THR 100 -16.450 -8.072 10.088 760 H ASN 101 H ASN 101 -12.876 -8.378 12.173 761 HA ASN 101 HA ASN 101 -13.368 -9.837 14.664 762 HB2 ASN 101 HB2 ASN 101 -13.613 -10.972 11.876 763 HB3 ASN 101 HB3 ASN 101 -13.337 -11.992 13.284 764 HD21 ASN 101 HD21 ASN 101 -15.623 -11.656 11.353 765 HD22 ASN 101 HD22 ASN 101 -17.014 -11.445 12.374 766 H GLY 102 H GLY 102 -11.186 -8.179 13.819 767 HA2 GLY 102 HA2 GLY 102 -8.883 -8.375 14.203 768 HA3 GLY 102 HA3 GLY 102 -9.028 -10.122 14.057 769 H ASN 103 H ASN 103 -10.379 -10.179 11.573 770 HA ASN 103 HA ASN 103 -8.164 -9.701 9.789 771 HB2 ASN 103 HB2 ASN 103 -9.488 -10.847 8.108 772 HB3 ASN 103 HB3 ASN 103 -9.553 -11.755 9.615 773 HD21 ASN 103 HD21 ASN 103 -11.339 -10.011 7.253 774 HD22 ASN 103 HD22 ASN 103 -12.909 -10.287 7.924 775 H VAL 104 H VAL 104 -8.048 -8.229 8.177 776 HA VAL 104 HA VAL 104 -9.915 -5.984 8.352 777 HB VAL 104 HB VAL 104 -7.277 -6.162 6.880 778 HG11 VAL 104 HG11 VAL 104 -8.755 -4.422 6.029 779 HG12 VAL 104 HG12 VAL 104 -7.366 -3.725 6.863 780 HG13 VAL 104 HG13 VAL 104 -8.939 -3.772 7.658 781 HG21 VAL 104 HG21 VAL 104 -6.294 -4.960 8.745 782 HG22 VAL 104 HG22 VAL 104 -6.984 -6.486 9.297 783 HG23 VAL 104 HG23 VAL 104 -7.841 -4.974 9.593 784 H GLN 105 H GLN 105 -11.319 -5.506 6.747 785 HA GLN 105 HA GLN 105 -11.041 -6.976 4.202 786 HB2 GLN 105 HB2 GLN 105 -13.573 -6.047 5.570 787 HB3 GLN 105 HB3 GLN 105 -13.509 -6.764 3.968 788 HG2 GLN 105 HG2 GLN 105 -12.470 -8.791 5.063 789 HG3 GLN 105 HG3 GLN 105 -12.914 -8.065 6.608 790 HE21 GLN 105 HE21 GLN 105 -15.116 -7.864 7.136 791 HE22 GLN 105 HE22 GLN 105 -16.332 -8.778 6.318 792 H ILE 106 H ILE 106 -11.221 -5.858 2.313 793 HA ILE 106 HA ILE 106 -11.757 -2.971 2.500 794 HB ILE 106 HB ILE 106 -10.157 -2.463 0.820 795 HG12 ILE 106 HG12 ILE 106 -10.529 -4.535 -0.558 796 HG13 ILE 106 HG13 ILE 106 -8.847 -4.041 -0.419 797 HG21 ILE 106 HG21 ILE 106 -8.919 -4.378 2.782 798 HG22 ILE 106 HG22 ILE 106 -9.242 -2.664 3.044 799 HG23 ILE 106 HG23 ILE 106 -8.048 -3.163 1.846 800 HD11 ILE 106 HD11 ILE 106 -8.503 -5.774 1.283 801 HD12 ILE 106 HD12 ILE 106 -9.049 -6.439 -0.255 802 HD13 ILE 106 HD13 ILE 106 -10.181 -6.281 1.088 803 H SER 107 H SER 107 -12.542 -2.017 0.457 804 HA SER 107 HA SER 107 -14.349 -3.901 -0.885 805 HG SER 107 HG SER 107 -15.161 -2.693 1.005 806 HB2 SER 107 HB2 SER 107 -14.431 -0.877 -0.798 807 HB3 SER 107 HB3 SER 107 -15.653 -1.928 -1.513 808 H ILE 108 H ILE 108 -13.220 -4.753 -2.564 809 HA ILE 108 HA ILE 108 -11.663 -3.080 -4.331 810 HB ILE 108 HB ILE 108 -11.530 -5.172 -5.748 811 HG12 ILE 108 HG12 ILE 108 -12.885 -6.422 -3.344 812 HG13 ILE 108 HG13 ILE 108 -13.622 -6.221 -4.929 813 HG21 ILE 108 HG21 ILE 108 -9.772 -4.556 -4.203 814 HG22 ILE 108 HG22 ILE 108 -9.992 -6.308 -4.202 815 HG23 ILE 108 HG23 ILE 108 -10.632 -5.337 -2.876 816 HD11 ILE 108 HD11 ILE 108 -12.843 -8.499 -4.586 817 HD12 ILE 108 HD12 ILE 108 -11.204 -7.908 -4.316 818 HD13 ILE 108 HD13 ILE 108 -11.961 -7.718 -5.899 819 H ALA 109 H ALA 109 -12.502 -1.889 -5.931 820 HA ALA 109 HA ALA 109 -15.148 -2.658 -6.968 821 HB1 ALA 109 HB1 ALA 109 -15.790 -0.309 -7.017 822 HB2 ALA 109 HB2 ALA 109 -14.226 0.138 -6.332 823 HB3 ALA 109 HB3 ALA 109 -15.366 -0.812 -5.381 824 H ASP 110 H ASP 110 -12.356 -2.959 -7.972 825 HA ASP 110 HA ASP 110 -12.927 -2.287 -10.692 826 HB2 ASP 110 HB2 ASP 110 -11.984 -0.130 -9.779 827 HB3 ASP 110 HB3 ASP 110 -10.482 -0.990 -9.461 828 H SER 111 H SER 111 -10.697 -2.804 -11.984 829 HA SER 111 HA SER 111 -9.146 -4.922 -10.877 830 HG SER 111 HG SER 111 -9.079 -6.814 -12.594 831 HB2 SER 111 HB2 SER 111 -11.328 -6.064 -11.138 832 HB3 SER 111 HB3 SER 111 -11.320 -5.667 -12.853 833 H ASP 112 H ASP 112 -9.023 -2.409 -12.541 834 HA ASP 112 HA ASP 112 -8.245 -3.279 -15.174 835 HB2 ASP 112 HB2 ASP 112 -9.233 -1.036 -14.752 836 HB3 ASP 112 HB3 ASP 112 -7.770 -0.585 -13.884 837 H VAL 113 H VAL 113 -6.676 -4.836 -14.585 838 HA VAL 113 HA VAL 113 -4.041 -3.694 -14.721 839 HB VAL 113 HB VAL 113 -4.284 -3.905 -12.320 840 HG11 VAL 113 HG11 VAL 113 -5.993 -5.612 -12.194 841 HG12 VAL 113 HG12 VAL 113 -4.592 -6.077 -11.232 842 HG13 VAL 113 HG13 VAL 113 -4.864 -6.817 -12.810 843 HG21 VAL 113 HG21 VAL 113 -2.343 -5.318 -11.838 844 HG22 VAL 113 HG22 VAL 113 -2.090 -4.315 -13.268 845 HG23 VAL 113 HG23 VAL 113 -2.472 -6.028 -13.449 846 H ALA 114 H ALA 114 -2.835 -4.829 -16.089 847 HA ALA 114 HA ALA 114 -4.038 -7.253 -17.208 848 HB1 ALA 114 HB1 ALA 114 -1.836 -5.506 -18.300 849 HB2 ALA 114 HB2 ALA 114 -3.539 -5.428 -18.751 850 HB3 ALA 114 HB3 ALA 114 -2.591 -6.865 -19.132 851 H VAL 115 H VAL 115 -3.426 -8.954 -16.051 852 HA VAL 115 HA VAL 115 -2.155 -10.729 -15.471 853 HB VAL 115 HB VAL 115 0.100 -9.327 -16.903 854 HG11 VAL 115 HG11 VAL 115 0.935 -10.975 -15.327 855 HG12 VAL 115 HG12 VAL 115 1.155 -11.536 -16.985 856 HG13 VAL 115 HG13 VAL 115 -0.152 -12.191 -15.996 857 HG21 VAL 115 HG21 VAL 115 -1.780 -11.486 -17.855 858 HG22 VAL 115 HG22 VAL 115 -0.399 -10.853 -18.754 859 HG23 VAL 115 HG23 VAL 115 -1.770 -9.804 -18.388 860 H ASP 116 H ASP 116 -1.536 -11.152 -13.507 861 HA ASP 116 HA ASP 116 0.204 -9.241 -12.095 862 HB2 ASP 116 HB2 ASP 116 -1.902 -9.265 -10.979 863 HB3 ASP 116 HB3 ASP 116 -2.006 -11.020 -11.063 864 H ASN 117 H ASN 117 1.702 -10.192 -10.532 865 HA ASN 117 HA ASN 117 2.450 -12.967 -11.161 866 HB2 ASN 117 HB2 ASN 117 4.812 -12.331 -11.288 867 HB3 ASN 117 HB3 ASN 117 3.878 -11.453 -12.493 868 HD21 ASN 117 HD21 ASN 117 3.572 -9.236 -12.244 869 HD22 ASN 117 HD22 ASN 117 4.517 -8.293 -11.148 870 H SER 118 H SER 118 1.153 -11.490 -8.859 871 HA SER 118 HA SER 118 3.199 -11.862 -6.789 872 HG SER 118 HG SER 118 1.452 -9.164 -8.002 873 HB2 SER 118 HB2 SER 118 0.610 -10.363 -6.436 874 HB3 SER 118 HB3 SER 118 2.093 -10.230 -5.491 875 H GLN 119 H GLN 119 2.730 -14.191 -6.940 876 HA GLN 119 HA GLN 119 0.242 -15.238 -6.094 877 HB2 GLN 119 HB2 GLN 119 1.421 -17.347 -5.717 878 HB3 GLN 119 HB3 GLN 119 1.866 -16.641 -7.260 879 HG2 GLN 119 HG2 GLN 119 3.539 -16.391 -4.773 880 HG3 GLN 119 HG3 GLN 119 3.734 -17.679 -5.958 881 HE21 GLN 119 HE21 GLN 119 5.615 -15.628 -5.130 882 HE22 GLN 119 HE22 GLN 119 6.043 -14.756 -6.560 883 HA PRO 120 HA PRO 120 0.217 -14.204 -1.821 884 HB2 PRO 120 HB2 PRO 120 -1.414 -16.637 -1.441 885 HB3 PRO 120 HB3 PRO 120 -1.824 -14.947 -1.127 886 HG2 PRO 120 HG2 PRO 120 -2.893 -16.266 -3.189 887 HG3 PRO 120 HG3 PRO 120 -2.449 -14.555 -3.324 888 HD2 PRO 120 HD2 PRO 120 -0.980 -16.977 -4.308 889 HD3 PRO 120 HD3 PRO 120 -1.252 -15.420 -5.121 890 H LEU 121 H LEU 121 0.568 -15.174 0.348 891 HA LEU 121 HA LEU 121 2.432 -17.440 0.242 892 HG LEU 121 HG LEU 121 2.236 -14.847 2.931 893 HB2 LEU 121 HB2 LEU 121 3.954 -16.328 1.746 894 HB3 LEU 121 HB3 LEU 121 3.701 -15.322 0.336 895 HD11 LEU 121 HD11 LEU 121 4.860 -13.676 2.015 896 HD12 LEU 121 HD12 LEU 121 4.610 -14.732 3.405 897 HD13 LEU 121 HD13 LEU 121 3.916 -13.111 3.392 898 HD21 LEU 121 HD21 LEU 121 1.267 -13.782 0.960 899 HD22 LEU 121 HD22 LEU 121 2.831 -13.072 0.560 900 HD23 LEU 121 HD23 LEU 121 1.988 -12.577 2.028 901 HA PRO 122 HA PRO 122 0.093 -18.765 3.798 902 HB2 PRO 122 HB2 PRO 122 2.143 -20.658 4.486 903 HB3 PRO 122 HB3 PRO 122 0.613 -20.964 3.662 904 HG2 PRO 122 HG2 PRO 122 3.104 -21.208 2.500 905 HG3 PRO 122 HG3 PRO 122 1.595 -20.964 1.606 906 HD2 PRO 122 HD2 PRO 122 3.707 -18.987 2.345 907 HD3 PRO 122 HD3 PRO 122 2.737 -19.099 0.860 908 H LEU 123 H LEU 123 0.665 -19.396 6.198 909 HA LEU 123 HA LEU 123 2.880 -17.732 7.168 910 HG LEU 123 HG LEU 123 1.833 -17.320 10.041 911 HB2 LEU 123 HB2 LEU 123 0.786 -16.438 7.347 912 HB3 LEU 123 HB3 LEU 123 0.087 -17.722 8.314 913 HD11 LEU 123 HD11 LEU 123 2.529 -14.957 8.303 914 HD12 LEU 123 HD12 LEU 123 3.552 -16.358 8.618 915 HD13 LEU 123 HD13 LEU 123 3.140 -15.254 9.930 916 HD21 LEU 123 HD21 LEU 123 -0.357 -16.320 10.278 917 HD22 LEU 123 HD22 LEU 123 0.131 -14.953 9.276 918 HD23 LEU 123 HD23 LEU 123 0.879 -15.201 10.854 919 H GLU 124 H GLU 124 4.115 -19.499 7.681 920 HA GLU 124 HA GLU 124 2.999 -21.535 9.452 921 HB2 GLU 124 HB2 GLU 124 4.468 -22.217 7.576 922 HB3 GLU 124 HB3 GLU 124 5.781 -21.287 8.288 923 HG2 GLU 124 HG2 GLU 124 5.647 -22.723 10.296 924 HG3 GLU 124 HG3 GLU 124 4.428 -23.696 9.475 925 H HIS 125 H HIS 125 3.114 -21.342 11.577 926 HA HIS 125 HA HIS 125 5.342 -19.782 12.719 927 HD1 HIS 125 HD1 HIS 125 4.395 -16.712 13.874 928 HD2 HIS 125 HD2 HIS 125 3.875 -19.951 16.435 929 HE1 HIS 125 HE1 HIS 125 5.217 -15.940 16.124 930 HE2 HIS 125 HE2 HIS 125 4.731 -17.851 17.691 931 HB2 HIS 125 HB2 HIS 125 3.123 -18.576 12.811 932 HB3 HIS 125 HB3 HIS 125 2.539 -19.865 13.856 933 H HIS 126 H HIS 126 6.499 -21.726 13.059 934 HA HIS 126 HA HIS 126 5.271 -23.593 14.960 935 HD1 HIS 126 HD1 HIS 126 7.772 -23.752 11.132 936 HD2 HIS 126 HD2 HIS 126 9.687 -23.946 14.823 937 HE1 HIS 126 HE1 HIS 126 10.187 -23.255 10.672 938 HE2 HIS 126 HE2 HIS 126 11.354 -23.509 12.890 939 HB2 HIS 126 HB2 HIS 126 7.062 -25.160 14.422 940 HB3 HIS 126 HB3 HIS 126 6.270 -24.621 12.951 941 H HIS 127 H HIS 127 5.917 -23.768 17.014 942 HA HIS 127 HA HIS 127 8.436 -22.634 17.886 943 HD1 HIS 127 HD1 HIS 127 5.968 -21.280 21.297 944 HD2 HIS 127 HD2 HIS 127 9.500 -20.186 19.381 945 HE1 HIS 127 HE1 HIS 127 7.472 -20.382 23.106 946 HE2 HIS 127 HE2 HIS 127 9.634 -19.804 21.947 947 HB2 HIS 127 HB2 HIS 127 7.030 -20.640 17.872 948 HB3 HIS 127 HB3 HIS 127 5.798 -21.471 18.816 949 H HIS 128 H HIS 128 9.140 -24.355 18.945 950 HA HIS 128 HA HIS 128 7.380 -25.509 21.005 951 HD1 HIS 128 HD1 HIS 128 8.866 -27.508 17.337 952 HD2 HIS 128 HD2 HIS 128 5.969 -27.814 20.300 953 HE1 HIS 128 HE1 HIS 128 6.870 -28.553 16.226 954 HE2 HIS 128 HE2 HIS 128 5.062 -28.513 17.982 955 HB2 HIS 128 HB2 HIS 128 9.709 -26.757 19.528 956 HB3 HIS 128 HB3 HIS 128 8.903 -27.503 20.905 957 H HIS 129 H HIS 129 8.437 -26.139 22.995 958 HA HIS 129 HA HIS 129 9.776 -25.841 24.794 959 HD1 HIS 129 HD1 HIS 129 12.560 -27.161 25.485 960 HD2 HIS 129 HD2 HIS 129 12.963 -23.052 24.938 961 HE1 HIS 129 HE1 HIS 129 14.125 -26.382 27.296 962 HE2 HIS 129 HE2 HIS 129 14.475 -23.927 26.857 963 HB2 HIS 129 HB2 HIS 129 11.660 -26.314 23.237 964 HB3 HIS 129 HB3 HIS 129 11.778 -24.592 22.896 965 H HIS 130 H HIS 130 9.641 -24.391 26.371 966 HA HIS 130 HA HIS 130 9.813 -21.554 25.788 967 HD1 HIS 130 HD1 HIS 130 6.494 -21.729 28.928 968 HD2 HIS 130 HD2 HIS 130 6.888 -24.806 26.157 969 HE1 HIS 130 HE1 HIS 130 5.186 -23.663 29.867 970 HE2 HIS 130 HE2 HIS 130 5.537 -25.549 28.228 971 HB2 HIS 130 HB2 HIS 130 7.683 -20.997 26.878 972 HB3 HIS 130 HB3 HIS 130 7.427 -21.980 25.448 Start of MODEL 16 1 HA MET 1 HA MET 1 -21.245 -6.799 5.742 2 H1 MET 1 H1 MET 1 -22.874 -9.101 6.635 3 H2 MET 1 H2 MET 1 -23.459 -7.721 5.844 4 H3 MET 1 H3 MET 1 -22.787 -7.584 7.395 5 HB2 MET 1 HB2 MET 1 -20.369 -7.876 7.764 6 HB3 MET 1 HB3 MET 1 -20.457 -9.446 6.980 7 HG2 MET 1 HG2 MET 1 -18.733 -8.877 5.457 8 HG3 MET 1 HG3 MET 1 -18.770 -7.185 5.950 9 HE1 MET 1 HE1 MET 1 -17.322 -10.582 8.725 10 HE2 MET 1 HE2 MET 1 -17.956 -10.862 7.103 11 HE3 MET 1 HE3 MET 1 -19.022 -10.272 8.380 12 H SER 2 H SER 2 -20.867 -6.810 3.635 13 HA SER 2 HA SER 2 -20.780 -9.344 2.185 14 HG SER 2 HG SER 2 -22.805 -9.647 0.315 15 HB2 SER 2 HB2 SER 2 -23.145 -8.591 2.134 16 HB3 SER 2 HB3 SER 2 -22.627 -7.080 1.391 17 H GLN 3 H GLN 3 -20.499 -5.809 2.012 18 HA GLN 3 HA GLN 3 -19.024 -5.956 -0.472 19 HB2 GLN 3 HB2 GLN 3 -18.953 -3.470 -0.269 20 HB3 GLN 3 HB3 GLN 3 -20.578 -4.143 -0.244 21 HG2 GLN 3 HG2 GLN 3 -20.770 -3.809 2.098 22 HG3 GLN 3 HG3 GLN 3 -19.057 -3.413 2.246 23 HE21 GLN 3 HE21 GLN 3 -22.187 -2.283 1.191 24 HE22 GLN 3 HE22 GLN 3 -21.744 -0.618 1.053 25 H TRP 4 H TRP 4 -17.797 -7.138 1.939 26 HA TRP 4 HA TRP 4 -15.347 -5.514 2.002 27 HD1 TRP 4 HD1 TRP 4 -18.682 -5.683 4.957 28 HE1 TRP 4 HE1 TRP 4 -19.282 -3.202 5.316 29 HE3 TRP 4 HE3 TRP 4 -14.286 -3.560 3.453 30 HZ2 TRP 4 HZ2 TRP 4 -18.051 -0.690 5.007 31 HZ3 TRP 4 HZ3 TRP 4 -14.082 -1.111 3.513 32 HH2 TRP 4 HH2 TRP 4 -15.926 0.292 4.273 33 HB2 TRP 4 HB2 TRP 4 -16.535 -6.982 4.370 34 HB3 TRP 4 HB3 TRP 4 -15.030 -6.065 4.366 35 H THR 5 H THR 5 -13.495 -6.598 1.709 36 HA THR 5 HA THR 5 -13.633 -9.542 1.577 37 HB THR 5 HB THR 5 -11.842 -7.755 -0.081 38 HG1 THR 5 HG1 THR 5 -14.412 -8.843 -0.575 39 HG21 THR 5 HG21 THR 5 -11.505 -9.780 -1.427 40 HG22 THR 5 HG22 THR 5 -12.530 -10.687 -0.315 41 HG23 THR 5 HG23 THR 5 -10.992 -10.028 0.241 42 H THR 6 H THR 6 -12.129 -10.657 2.724 43 HA THR 6 HA THR 6 -10.655 -9.238 4.704 44 HB THR 6 HB THR 6 -10.286 -12.158 4.068 45 HG1 THR 6 HG1 THR 6 -12.532 -10.801 5.099 46 HG21 THR 6 HG21 THR 6 -9.990 -12.321 6.496 47 HG22 THR 6 HG22 THR 6 -10.280 -10.589 6.652 48 HG23 THR 6 HG23 THR 6 -8.851 -11.171 5.799 49 H VAL 7 H VAL 7 -8.752 -8.301 4.438 50 HA VAL 7 HA VAL 7 -7.015 -9.031 2.228 51 HB VAL 7 HB VAL 7 -6.579 -6.947 4.375 52 HG11 VAL 7 HG11 VAL 7 -5.027 -5.954 2.760 53 HG12 VAL 7 HG12 VAL 7 -5.307 -7.309 1.667 54 HG13 VAL 7 HG13 VAL 7 -4.539 -7.582 3.232 55 HG21 VAL 7 HG21 VAL 7 -7.798 -6.633 1.637 56 HG22 VAL 7 HG22 VAL 7 -7.390 -5.320 2.741 57 HG23 VAL 7 HG23 VAL 7 -8.639 -6.484 3.182 58 H CYS 8 H CYS 8 -6.433 -8.415 5.677 59 HA CYS 8 HA CYS 8 -4.901 -10.813 6.028 60 HG CYS 8 HG CYS 8 -1.294 -9.802 7.040 61 HB2 CYS 8 HB2 CYS 8 -3.447 -8.937 4.814 62 HB3 CYS 8 HB3 CYS 8 -3.301 -8.319 6.453 63 H LYS 9 H LYS 9 -3.606 -10.385 8.297 64 HA LYS 9 HA LYS 9 -5.729 -9.633 10.122 65 HB2 LYS 9 HB2 LYS 9 -2.989 -10.807 10.578 66 HB3 LYS 9 HB3 LYS 9 -4.081 -10.375 11.884 67 HG2 LYS 9 HG2 LYS 9 -5.760 -11.936 10.855 68 HG3 LYS 9 HG3 LYS 9 -4.473 -12.481 9.776 69 HD2 LYS 9 HD2 LYS 9 -4.684 -13.965 11.706 70 HD3 LYS 9 HD3 LYS 9 -3.127 -13.135 11.717 71 HE2 LYS 9 HE2 LYS 9 -3.982 -11.528 13.338 72 HE3 LYS 9 HE3 LYS 9 -5.554 -12.323 13.315 73 HZ1 LYS 9 HZ1 LYS 9 -4.152 -12.961 15.220 74 HZ2 LYS 9 HZ2 LYS 9 -3.024 -13.635 14.148 75 HZ3 LYS 9 HZ3 LYS 9 -4.586 -14.284 14.253 76 H LEU 10 H LEU 10 -5.387 -8.191 11.902 77 HA LEU 10 HA LEU 10 -4.069 -5.760 11.090 78 HG LEU 10 HG LEU 10 -4.176 -4.392 13.907 79 HB2 LEU 10 HB2 LEU 10 -6.263 -5.801 12.241 80 HB3 LEU 10 HB3 LEU 10 -5.491 -6.462 13.665 81 HD11 LEU 10 HD11 LEU 10 -4.106 -3.732 11.562 82 HD12 LEU 10 HD12 LEU 10 -4.735 -2.432 12.572 83 HD13 LEU 10 HD13 LEU 10 -5.839 -3.402 11.595 84 HD21 LEU 10 HD21 LEU 10 -7.159 -4.000 13.723 85 HD22 LEU 10 HD22 LEU 10 -6.043 -2.952 14.598 86 HD23 LEU 10 HD23 LEU 10 -6.268 -4.625 15.110 87 H ASP 11 H ASP 11 -2.954 -8.511 12.390 88 HA ASP 11 HA ASP 11 -1.217 -7.306 14.404 89 HB2 ASP 11 HB2 ASP 11 -2.436 -9.294 15.085 90 HB3 ASP 11 HB3 ASP 11 -1.767 -10.200 13.734 91 H ASP 12 H ASP 12 -1.015 -9.076 11.336 92 HA ASP 12 HA ASP 12 1.868 -9.276 11.620 93 HB2 ASP 12 HB2 ASP 12 1.815 -10.655 9.610 94 HB3 ASP 12 HB3 ASP 12 0.644 -11.226 10.793 95 H ILE 13 H ILE 13 -0.217 -6.981 10.396 96 HA ILE 13 HA ILE 13 1.303 -6.171 8.109 97 HB ILE 13 HB ILE 13 -0.691 -4.578 9.740 98 HG12 ILE 13 HG12 ILE 13 -1.034 -6.111 7.151 99 HG13 ILE 13 HG13 ILE 13 -1.642 -6.618 8.723 100 HG21 ILE 13 HG21 ILE 13 0.485 -4.063 7.009 101 HG22 ILE 13 HG22 ILE 13 0.744 -3.105 8.467 102 HG23 ILE 13 HG23 ILE 13 -0.853 -3.162 7.722 103 HD11 ILE 13 HD11 ILE 13 -2.483 -4.163 7.197 104 HD12 ILE 13 HD12 ILE 13 -3.081 -4.638 8.786 105 HD13 ILE 13 HD13 ILE 13 -3.410 -5.653 7.381 106 H LEU 14 H LEU 14 3.054 -4.907 8.006 107 HA LEU 14 HA LEU 14 4.607 -4.432 10.281 108 HG LEU 14 HG LEU 14 5.168 -5.717 7.551 109 HB2 LEU 14 HB2 LEU 14 4.802 -3.286 7.500 110 HB3 LEU 14 HB3 LEU 14 6.028 -3.074 8.733 111 HD11 LEU 14 HD11 LEU 14 6.420 -4.359 5.970 112 HD12 LEU 14 HD12 LEU 14 7.390 -5.720 6.530 113 HD13 LEU 14 HD13 LEU 14 7.686 -4.104 7.169 114 HD21 LEU 14 HD21 LEU 14 7.376 -5.077 9.509 115 HD22 LEU 14 HD22 LEU 14 7.038 -6.657 8.801 116 HD23 LEU 14 HD23 LEU 14 5.871 -5.911 9.891 117 HA PRO 15 HA PRO 15 2.682 -0.737 11.806 118 HB2 PRO 15 HB2 PRO 15 5.032 -0.545 13.554 119 HB3 PRO 15 HB3 PRO 15 3.337 -0.800 13.978 120 HG2 PRO 15 HG2 PRO 15 5.185 -2.745 14.219 121 HG3 PRO 15 HG3 PRO 15 3.498 -3.087 13.795 122 HD2 PRO 15 HD2 PRO 15 5.906 -2.945 12.017 123 HD3 PRO 15 HD3 PRO 15 4.559 -4.103 11.997 124 H GLY 16 H GLY 16 2.783 1.274 11.088 125 HA2 GLY 16 HA2 GLY 16 3.705 3.369 10.681 126 HA3 GLY 16 HA3 GLY 16 5.305 2.691 10.937 127 H THR 17 H THR 17 3.187 1.052 8.717 128 HA THR 17 HA THR 17 4.374 2.347 6.406 129 HB THR 17 HB THR 17 5.164 -0.033 5.608 130 HG1 THR 17 HG1 THR 17 4.469 -0.615 8.047 131 HG21 THR 17 HG21 THR 17 6.774 1.638 7.543 132 HG22 THR 17 HG22 THR 17 6.650 1.889 5.802 133 HG23 THR 17 HG23 THR 17 7.437 0.440 6.430 134 H GLY 18 H GLY 18 3.581 1.464 4.367 135 HA2 GLY 18 HA2 GLY 18 1.068 -0.057 4.697 136 HA3 GLY 18 HA3 GLY 18 1.295 1.192 3.478 137 H VAL 19 H VAL 19 1.026 -2.005 3.762 138 HA VAL 19 HA VAL 19 3.096 -2.589 1.754 139 HB VAL 19 HB VAL 19 2.902 -4.969 2.439 140 HG11 VAL 19 HG11 VAL 19 4.110 -4.718 4.571 141 HG12 VAL 19 HG12 VAL 19 3.631 -3.021 4.624 142 HG13 VAL 19 HG13 VAL 19 4.684 -3.600 3.334 143 HG21 VAL 19 HG21 VAL 19 1.795 -5.509 4.562 144 HG22 VAL 19 HG22 VAL 19 0.647 -4.922 3.359 145 HG23 VAL 19 HG23 VAL 19 1.182 -3.858 4.659 146 H CYS 20 H CYS 20 2.576 -3.587 -0.168 147 HA CYS 20 HA CYS 20 -0.207 -3.520 -0.915 148 HG CYS 20 HG CYS 20 3.035 -5.690 -2.308 149 HB2 CYS 20 HB2 CYS 20 0.733 -4.291 -3.138 150 HB3 CYS 20 HB3 CYS 20 1.318 -2.736 -2.551 151 H ALA 21 H ALA 21 -1.225 -5.135 0.223 152 HA ALA 21 HA ALA 21 -0.284 -7.869 0.053 153 HB1 ALA 21 HB1 ALA 21 -2.861 -6.766 1.176 154 HB2 ALA 21 HB2 ALA 21 -1.390 -7.102 2.092 155 HB3 ALA 21 HB3 ALA 21 -2.286 -8.424 1.343 156 H LEU 22 H LEU 22 -1.209 -9.511 -1.147 157 HA LEU 22 HA LEU 22 -2.549 -8.646 -3.552 158 HG LEU 22 HG LEU 22 -1.448 -11.785 -5.186 159 HB2 LEU 22 HB2 LEU 22 -0.721 -10.391 -3.459 160 HB3 LEU 22 HB3 LEU 22 -1.869 -11.463 -2.690 161 HD11 LEU 22 HD11 LEU 22 -4.287 -11.381 -4.259 162 HD12 LEU 22 HD12 LEU 22 -3.316 -12.837 -4.039 163 HD13 LEU 22 HD13 LEU 22 -3.780 -12.323 -5.662 164 HD21 LEU 22 HD21 LEU 22 -2.748 -10.365 -6.692 165 HD22 LEU 22 HD22 LEU 22 -1.494 -9.453 -5.853 166 HD23 LEU 22 HD23 LEU 22 -3.176 -9.320 -5.337 167 H VAL 23 H VAL 23 -4.597 -8.031 -3.111 168 HA VAL 23 HA VAL 23 -6.299 -9.739 -1.476 169 HB VAL 23 HB VAL 23 -7.074 -7.159 -2.842 170 HG11 VAL 23 HG11 VAL 23 -8.814 -7.084 -1.115 171 HG12 VAL 23 HG12 VAL 23 -8.262 -8.644 -0.503 172 HG13 VAL 23 HG13 VAL 23 -8.946 -8.524 -2.123 173 HG21 VAL 23 HG21 VAL 23 -6.616 -6.023 -0.729 174 HG22 VAL 23 HG22 VAL 23 -5.151 -6.755 -1.386 175 HG23 VAL 23 HG23 VAL 23 -5.999 -7.529 -0.047 176 H GLU 24 H GLU 24 -6.230 -11.483 -2.975 177 HA GLU 24 HA GLU 24 -7.190 -12.867 -4.472 178 HB2 GLU 24 HB2 GLU 24 -9.279 -10.695 -4.639 179 HB3 GLU 24 HB3 GLU 24 -9.434 -12.281 -5.382 180 HG2 GLU 24 HG2 GLU 24 -9.118 -11.755 -2.435 181 HG3 GLU 24 HG3 GLU 24 -10.630 -12.132 -3.253 182 H GLN 25 H GLN 25 -7.814 -9.661 -5.910 183 HA GLN 25 HA GLN 25 -6.593 -10.681 -8.395 184 HB2 GLN 25 HB2 GLN 25 -8.882 -8.731 -8.100 185 HB3 GLN 25 HB3 GLN 25 -8.192 -9.283 -9.620 186 HG2 GLN 25 HG2 GLN 25 -8.999 -11.485 -9.290 187 HG3 GLN 25 HG3 GLN 25 -9.439 -11.143 -7.618 188 HE21 GLN 25 HE21 GLN 25 -10.534 -8.517 -8.296 189 HE22 GLN 25 HE22 GLN 25 -12.056 -8.822 -9.052 190 H GLN 26 H GLN 26 -6.526 -8.207 -6.015 191 HA GLN 26 HA GLN 26 -4.739 -6.609 -7.705 192 HB2 GLN 26 HB2 GLN 26 -6.983 -5.616 -7.878 193 HB3 GLN 26 HB3 GLN 26 -7.065 -5.490 -6.129 194 HG2 GLN 26 HG2 GLN 26 -5.165 -3.934 -6.168 195 HG3 GLN 26 HG3 GLN 26 -5.137 -4.037 -7.927 196 HE21 GLN 26 HE21 GLN 26 -8.062 -4.147 -8.104 197 HE22 GLN 26 HE22 GLN 26 -8.618 -2.539 -7.801 198 H GLN 27 H GLN 27 -3.034 -5.714 -6.641 199 HA GLN 27 HA GLN 27 -2.785 -6.205 -3.790 200 HB2 GLN 27 HB2 GLN 27 -0.878 -5.150 -5.871 201 HB3 GLN 27 HB3 GLN 27 -0.500 -5.104 -4.155 202 HG2 GLN 27 HG2 GLN 27 -0.800 -7.563 -4.078 203 HG3 GLN 27 HG3 GLN 27 -1.019 -7.547 -5.828 204 HE21 GLN 27 HE21 GLN 27 1.226 -7.107 -3.210 205 HE22 GLN 27 HE22 GLN 27 2.669 -7.185 -4.171 206 H ILE 28 H ILE 28 -3.013 -4.707 -2.259 207 HA ILE 28 HA ILE 28 -3.287 -1.874 -3.056 208 HB ILE 28 HB ILE 28 -5.039 -3.316 -1.039 209 HG12 ILE 28 HG12 ILE 28 -5.748 -2.277 -3.792 210 HG13 ILE 28 HG13 ILE 28 -5.545 -3.974 -3.374 211 HG21 ILE 28 HG21 ILE 28 -4.678 -0.993 -0.466 212 HG22 ILE 28 HG22 ILE 28 -6.333 -1.229 -1.025 213 HG23 ILE 28 HG23 ILE 28 -5.135 -0.495 -2.094 214 HD11 ILE 28 HD11 ILE 28 -7.886 -3.377 -3.480 215 HD12 ILE 28 HD12 ILE 28 -7.640 -2.115 -2.274 216 HD13 ILE 28 HD13 ILE 28 -7.435 -3.809 -1.831 217 H ALA 29 H ALA 29 -2.310 -0.451 -1.700 218 HA ALA 29 HA ALA 29 -0.461 -1.554 0.225 219 HB1 ALA 29 HB1 ALA 29 -0.925 1.309 -0.602 220 HB2 ALA 29 HB2 ALA 29 0.248 0.209 -1.324 221 HB3 ALA 29 HB3 ALA 29 0.427 0.710 0.358 222 H VAL 30 H VAL 30 -1.206 -2.044 2.165 223 HA VAL 30 HA VAL 30 -3.306 -0.356 3.361 224 HB VAL 30 HB VAL 30 -2.328 -3.072 4.287 225 HG11 VAL 30 HG11 VAL 30 -3.333 -1.702 6.049 226 HG12 VAL 30 HG12 VAL 30 -4.346 -3.090 5.652 227 HG13 VAL 30 HG13 VAL 30 -4.775 -1.484 5.060 228 HG21 VAL 30 HG21 VAL 30 -4.410 -3.948 3.321 229 HG22 VAL 30 HG22 VAL 30 -3.355 -3.251 2.093 230 HG23 VAL 30 HG23 VAL 30 -4.763 -2.353 2.657 231 H PHE 31 H PHE 31 -2.529 1.219 4.524 232 HA PHE 31 HA PHE 31 0.060 1.158 5.766 233 HD1 PHE 31 HD2 PHE 31 -2.333 3.167 3.428 234 HD2 PHE 31 HD1 PHE 31 1.279 4.055 5.491 235 HE1 PHE 31 HE2 PHE 31 -1.428 4.199 1.391 236 HE2 PHE 31 HE1 PHE 31 2.191 5.093 3.456 237 HZ PHE 31 HZ PHE 31 0.836 5.163 1.403 238 HB2 PHE 31 HB2 PHE 31 -2.203 3.157 5.877 239 HB3 PHE 31 HB3 PHE 31 -0.662 3.388 6.689 240 H ARG 32 H ARG 32 0.562 0.677 7.807 241 HA ARG 32 HA ARG 32 -1.565 0.825 9.827 242 HE ARG 32 HE ARG 32 -1.349 -2.452 13.629 243 HB2 ARG 32 HB2 ARG 32 -0.700 -1.510 9.389 244 HB3 ARG 32 HB3 ARG 32 0.864 -0.961 9.972 245 HG2 ARG 32 HG2 ARG 32 -0.147 -0.457 12.159 246 HG3 ARG 32 HG3 ARG 32 -1.696 -1.059 11.563 247 HD2 ARG 32 HD2 ARG 32 -0.700 -3.253 11.178 248 HD3 ARG 32 HD3 ARG 32 0.855 -2.657 11.746 249 HH11 ARG 32 HH11 ARG 32 1.391 -4.303 12.493 250 HH12 ARG 32 HH12 ARG 32 1.572 -5.196 13.974 251 HH21 ARG 32 HH21 ARG 32 -1.154 -3.652 15.569 252 HH22 ARG 32 HH22 ARG 32 0.098 -4.853 15.713 253 HA PRO 33 HA PRO 33 2.128 3.671 10.237 254 HB2 PRO 33 HB2 PRO 33 0.960 6.076 10.044 255 HB3 PRO 33 HB3 PRO 33 1.294 5.088 8.616 256 HG2 PRO 33 HG2 PRO 33 -1.275 5.488 10.091 257 HG3 PRO 33 HG3 PRO 33 -0.991 5.405 8.343 258 HD2 PRO 33 HD2 PRO 33 -1.919 3.310 9.872 259 HD3 PRO 33 HD3 PRO 33 -1.074 3.121 8.325 260 H ARG 34 H ARG 34 -0.925 3.772 11.928 261 HA ARG 34 HA ARG 34 0.311 5.211 14.152 262 HE ARG 34 HE ARG 34 -2.501 7.373 15.420 263 HB2 ARG 34 HB2 ARG 34 -2.577 4.378 13.821 264 HB3 ARG 34 HB3 ARG 34 -1.934 5.469 15.040 265 HG2 ARG 34 HG2 ARG 34 -1.207 6.958 13.127 266 HG3 ARG 34 HG3 ARG 34 -2.196 5.936 12.086 267 HD2 ARG 34 HD2 ARG 34 -3.505 7.830 12.724 268 HD3 ARG 34 HD3 ARG 34 -4.140 6.419 13.571 269 HH11 ARG 34 HH11 ARG 34 -4.767 9.105 13.365 270 HH12 ARG 34 HH12 ARG 34 -5.021 10.375 14.529 271 HH21 ARG 34 HH21 ARG 34 -2.849 9.040 16.923 272 HH22 ARG 34 HH22 ARG 34 -3.943 10.332 16.546 273 H ASN 35 H ASN 35 0.141 2.148 13.116 274 HA ASN 35 HA ASN 35 0.366 0.078 14.047 275 HB2 ASN 35 HB2 ASN 35 2.271 1.277 15.120 276 HB3 ASN 35 HB3 ASN 35 1.231 1.665 16.483 277 HD21 ASN 35 HD21 ASN 35 2.533 0.603 17.925 278 HD22 ASN 35 HD22 ASN 35 2.624 -1.126 18.006 279 H ASP 36 H ASP 36 -2.193 1.307 14.160 280 HA ASP 36 HA ASP 36 -3.381 0.012 16.479 281 HB2 ASP 36 HB2 ASP 36 -2.797 2.419 17.055 282 HB3 ASP 36 HB3 ASP 36 -3.961 2.915 15.833 283 H GLU 37 H GLU 37 -5.952 1.330 16.010 284 HA GLU 37 HA GLU 37 -6.926 -0.591 14.155 285 HB2 GLU 37 HB2 GLU 37 -8.348 1.716 15.497 286 HB3 GLU 37 HB3 GLU 37 -9.126 0.367 14.681 287 HG2 GLU 37 HG2 GLU 37 -8.255 -1.180 16.311 288 HG3 GLU 37 HG3 GLU 37 -7.350 0.112 17.095 289 H GLN 38 H GLN 38 -6.059 2.766 13.856 290 HA GLN 38 HA GLN 38 -7.646 3.231 11.518 291 HB2 GLN 38 HB2 GLN 38 -5.668 4.792 13.066 292 HB3 GLN 38 HB3 GLN 38 -5.832 5.205 11.364 293 HG2 GLN 38 HG2 GLN 38 -7.263 6.606 12.703 294 HG3 GLN 38 HG3 GLN 38 -8.236 5.548 11.685 295 HE21 GLN 38 HE21 GLN 38 -9.426 3.893 12.642 296 HE22 GLN 38 HE22 GLN 38 -9.753 3.857 14.340 297 H VAL 39 H VAL 39 -7.153 1.628 10.090 298 HA VAL 39 HA VAL 39 -4.475 1.677 8.890 299 HB VAL 39 HB VAL 39 -5.217 -0.358 7.660 300 HG11 VAL 39 HG11 VAL 39 -3.980 -0.533 9.767 301 HG12 VAL 39 HG12 VAL 39 -5.114 -1.869 9.563 302 HG13 VAL 39 HG13 VAL 39 -5.502 -0.540 10.656 303 HG21 VAL 39 HG21 VAL 39 -7.620 0.043 7.647 304 HG22 VAL 39 HG22 VAL 39 -7.673 -0.125 9.401 305 HG23 VAL 39 HG23 VAL 39 -7.259 -1.513 8.398 306 H TYR 40 H TYR 40 -4.342 1.714 6.523 307 HA TYR 40 HA TYR 40 -6.612 2.996 5.199 308 HD1 TYR 40 HD1 TYR 40 -7.206 5.664 5.250 309 HD2 TYR 40 HD2 TYR 40 -3.678 4.958 7.520 310 HE1 TYR 40 HE1 TYR 40 -8.032 7.183 6.995 311 HE2 TYR 40 HE2 TYR 40 -4.493 6.479 9.275 312 HH TYR 40 HH TYR 40 -6.040 8.296 9.564 313 HB2 TYR 40 HB2 TYR 40 -3.817 4.148 5.323 314 HB3 TYR 40 HB3 TYR 40 -5.074 4.710 4.227 315 H ALA 41 H ALA 41 -6.980 1.831 3.451 316 HA ALA 41 HA ALA 41 -4.710 0.531 2.112 317 HB1 ALA 41 HB1 ALA 41 -7.640 -0.160 1.929 318 HB2 ALA 41 HB2 ALA 41 -6.463 -0.975 2.959 319 HB3 ALA 41 HB3 ALA 41 -6.306 -1.053 1.204 320 H ILE 42 H ILE 42 -3.986 1.812 0.531 321 HA ILE 42 HA ILE 42 -5.968 2.801 -1.414 322 HB ILE 42 HB ILE 42 -4.525 4.709 -1.916 323 HG12 ILE 42 HG12 ILE 42 -2.817 3.770 0.402 324 HG13 ILE 42 HG13 ILE 42 -2.361 3.681 -1.297 325 HG21 ILE 42 HG21 ILE 42 -5.151 4.496 1.024 326 HG22 ILE 42 HG22 ILE 42 -6.271 4.983 -0.246 327 HG23 ILE 42 HG23 ILE 42 -4.877 5.993 0.131 328 HD11 ILE 42 HD11 ILE 42 -2.440 6.120 -1.441 329 HD12 ILE 42 HD12 ILE 42 -1.306 5.572 -0.206 330 HD13 ILE 42 HD13 ILE 42 -2.885 6.203 0.264 331 H SER 43 H SER 43 -5.244 2.827 -3.634 332 HA SER 43 HA SER 43 -3.594 0.555 -4.260 333 HG SER 43 HG SER 43 -5.892 0.053 -5.950 334 HB2 SER 43 HB2 SER 43 -4.864 2.597 -6.108 335 HB3 SER 43 HB3 SER 43 -4.158 1.056 -6.599 336 H ASN 44 H ASN 44 -1.802 1.798 -3.014 337 HA ASN 44 HA ASN 44 -0.425 3.700 -4.794 338 HB2 ASN 44 HB2 ASN 44 -1.078 4.428 -2.452 339 HB3 ASN 44 HB3 ASN 44 0.122 3.289 -1.852 340 HD21 ASN 44 HD21 ASN 44 1.321 4.946 -0.923 341 HD22 ASN 44 HD22 ASN 44 2.264 6.043 -1.873 342 H ILE 45 H ILE 45 0.049 1.541 -5.871 343 HA ILE 45 HA ILE 45 2.511 0.366 -4.758 344 HB ILE 45 HB ILE 45 0.513 -0.837 -6.696 345 HG12 ILE 45 HG12 ILE 45 0.381 -2.585 -4.812 346 HG13 ILE 45 HG13 ILE 45 1.127 -1.365 -3.795 347 HG21 ILE 45 HG21 ILE 45 1.875 -2.886 -6.540 348 HG22 ILE 45 HG22 ILE 45 3.082 -1.984 -5.620 349 HG23 ILE 45 HG23 ILE 45 2.737 -1.544 -7.293 350 HD11 ILE 45 HD11 ILE 45 -1.492 -1.087 -5.248 351 HD12 ILE 45 HD12 ILE 45 -0.753 0.126 -4.200 352 HD13 ILE 45 HD13 ILE 45 -1.288 -1.416 -3.529 353 H ASP 46 H ASP 46 4.336 0.623 -5.912 354 HA ASP 46 HA ASP 46 4.254 2.054 -8.418 355 HB2 ASP 46 HB2 ASP 46 6.035 2.564 -6.832 356 HB3 ASP 46 HB3 ASP 46 6.579 0.890 -6.865 357 HA PRO 47 HA PRO 47 3.761 -1.791 -10.570 358 HB2 PRO 47 HB2 PRO 47 3.916 -0.220 -13.025 359 HB3 PRO 47 HB3 PRO 47 2.540 -1.090 -12.342 360 HG2 PRO 47 HG2 PRO 47 2.663 1.611 -12.428 361 HG3 PRO 47 HG3 PRO 47 1.820 0.731 -11.139 362 HD2 PRO 47 HD2 PRO 47 4.539 1.997 -11.110 363 HD3 PRO 47 HD3 PRO 47 3.279 2.002 -9.855 364 H PHE 48 H PHE 48 6.522 0.148 -10.646 365 HA PHE 48 HA PHE 48 7.829 -1.370 -12.759 366 HD1 PHE 48 HD1 PHE 48 9.128 0.117 -14.623 367 HD2 PHE 48 HD2 PHE 48 11.281 0.240 -10.953 368 HE1 PHE 48 HE1 PHE 48 11.235 -0.176 -15.855 369 HE2 PHE 48 HE2 PHE 48 13.392 -0.052 -12.182 370 HZ PHE 48 HZ PHE 48 13.374 -0.262 -14.635 371 HB2 PHE 48 HB2 PHE 48 8.175 1.102 -12.500 372 HB3 PHE 48 HB3 PHE 48 9.000 0.777 -10.981 373 H ALA 49 H ALA 49 7.753 -1.108 -9.272 374 HA ALA 49 HA ALA 49 9.808 -3.217 -9.084 375 HB1 ALA 49 HB1 ALA 49 8.821 -1.339 -6.933 376 HB2 ALA 49 HB2 ALA 49 10.321 -1.160 -7.844 377 HB3 ALA 49 HB3 ALA 49 10.104 -2.538 -6.763 378 H GLN 50 H GLN 50 6.545 -2.556 -8.884 379 HA GLN 50 HA GLN 50 4.698 -3.646 -8.252 380 HB2 GLN 50 HB2 GLN 50 5.839 -5.419 -9.662 381 HB3 GLN 50 HB3 GLN 50 6.366 -6.156 -8.155 382 HG2 GLN 50 HG2 GLN 50 4.378 -7.254 -8.989 383 HG3 GLN 50 HG3 GLN 50 4.032 -6.424 -7.470 384 HE21 GLN 50 HE21 GLN 50 1.842 -6.296 -7.873 385 HE22 GLN 50 HE22 GLN 50 1.178 -5.238 -9.070 386 H ALA 51 H ALA 51 5.405 -2.331 -6.264 387 HA ALA 51 HA ALA 51 4.683 -3.820 -3.928 388 HB1 ALA 51 HB1 ALA 51 6.708 -3.451 -2.631 389 HB2 ALA 51 HB2 ALA 51 7.500 -2.715 -4.024 390 HB3 ALA 51 HB3 ALA 51 7.077 -4.428 -4.053 391 H SER 52 H SER 52 4.413 -2.432 -2.104 392 HA SER 52 HA SER 52 3.572 0.207 -2.887 393 HG SER 52 HG SER 52 3.606 -1.217 0.792 394 HB2 SER 52 HB2 SER 52 2.851 0.281 -0.446 395 HB3 SER 52 HB3 SER 52 2.125 -1.001 -1.421 396 H VAL 53 H VAL 53 6.232 0.166 -3.277 397 HA VAL 53 HA VAL 53 7.806 0.937 -1.050 398 HB VAL 53 HB VAL 53 9.437 1.777 -2.684 399 HG11 VAL 53 HG11 VAL 53 8.203 -0.865 -3.467 400 HG12 VAL 53 HG12 VAL 53 9.381 -0.605 -2.179 401 HG13 VAL 53 HG13 VAL 53 9.838 -0.334 -3.861 402 HG21 VAL 53 HG21 VAL 53 7.899 2.768 -4.293 403 HG22 VAL 53 HG22 VAL 53 7.315 1.166 -4.742 404 HG23 VAL 53 HG23 VAL 53 8.983 1.625 -5.085 405 H LEU 54 H LEU 54 5.519 2.558 -2.987 406 HA LEU 54 HA LEU 54 6.300 5.239 -2.378 407 HG LEU 54 HG LEU 54 5.241 3.391 -4.807 408 HB2 LEU 54 HB2 LEU 54 3.562 4.256 -3.168 409 HB3 LEU 54 HB3 LEU 54 4.225 5.862 -3.398 410 HD11 LEU 54 HD11 LEU 54 3.396 5.561 -5.788 411 HD12 LEU 54 HD12 LEU 54 2.968 3.874 -5.499 412 HD13 LEU 54 HD13 LEU 54 4.105 4.289 -6.782 413 HD21 LEU 54 HD21 LEU 54 6.395 4.986 -6.244 414 HD22 LEU 54 HD22 LEU 54 6.902 5.168 -4.564 415 HD23 LEU 54 HD23 LEU 54 5.773 6.323 -5.276 416 H SER 55 H SER 55 4.851 2.736 -0.659 417 HA SER 55 HA SER 55 3.595 4.579 1.265 418 HG SER 55 HG SER 55 2.168 2.794 -1.001 419 HB2 SER 55 HB2 SER 55 2.914 1.678 0.732 420 HB3 SER 55 HB3 SER 55 2.060 2.775 1.818 421 H ARG 56 H ARG 56 6.329 2.968 0.835 422 HA ARG 56 HA ARG 56 6.446 1.793 3.530 423 HE ARG 56 HE ARG 56 8.923 -2.620 3.647 424 HB2 ARG 56 HB2 ARG 56 6.951 0.413 1.406 425 HB3 ARG 56 HB3 ARG 56 8.445 1.332 1.326 426 HG2 ARG 56 HG2 ARG 56 8.999 0.525 3.608 427 HG3 ARG 56 HG3 ARG 56 7.562 -0.496 3.546 428 HD2 ARG 56 HD2 ARG 56 8.493 -1.536 1.472 429 HD3 ARG 56 HD3 ARG 56 9.976 -0.623 1.742 430 HH11 ARG 56 HH11 ARG 56 11.607 -1.109 1.962 431 HH12 ARG 56 HH12 ARG 56 12.800 -2.132 2.700 432 HH21 ARG 56 HH21 ARG 56 10.486 -3.942 4.614 433 HH22 ARG 56 HH22 ARG 56 12.167 -3.716 4.239 434 H GLY 57 H GLY 57 6.948 4.640 2.288 435 HA2 GLY 57 HA2 GLY 57 9.718 5.066 3.086 436 HA3 GLY 57 HA3 GLY 57 8.673 6.234 2.289 437 H ILE 58 H ILE 58 7.973 7.854 3.489 438 HA ILE 58 HA ILE 58 7.954 7.497 6.419 439 HB ILE 58 HB ILE 58 8.657 10.034 4.925 440 HG12 ILE 58 HG12 ILE 58 10.463 8.174 6.496 441 HG13 ILE 58 HG13 ILE 58 10.398 8.267 4.737 442 HG21 ILE 58 HG21 ILE 58 7.590 10.476 7.058 443 HG22 ILE 58 HG22 ILE 58 9.309 10.865 7.153 444 HG23 ILE 58 HG23 ILE 58 8.699 9.373 7.872 445 HD11 ILE 58 HD11 ILE 58 11.192 10.513 6.577 446 HD12 ILE 58 HD12 ILE 58 11.182 10.560 4.813 447 HD13 ILE 58 HD13 ILE 58 12.298 9.488 5.661 448 H VAL 59 H VAL 59 5.940 7.458 7.079 449 HA VAL 59 HA VAL 59 3.812 8.885 5.794 450 HB VAL 59 HB VAL 59 3.920 7.573 8.519 451 HG11 VAL 59 HG11 VAL 59 2.144 9.251 8.387 452 HG12 VAL 59 HG12 VAL 59 1.471 7.622 8.439 453 HG13 VAL 59 HG13 VAL 59 1.536 8.500 6.912 454 HG21 VAL 59 HG21 VAL 59 2.842 6.550 5.892 455 HG22 VAL 59 HG22 VAL 59 2.716 5.723 7.445 456 HG23 VAL 59 HG23 VAL 59 4.299 5.987 6.711 457 H ALA 60 H ALA 60 4.235 11.039 5.750 458 HA ALA 60 HA ALA 60 5.147 12.369 8.180 459 HB1 ALA 60 HB1 ALA 60 6.367 12.809 6.112 460 HB2 ALA 60 HB2 ALA 60 5.608 14.278 6.726 461 HB3 ALA 60 HB3 ALA 60 4.890 13.418 5.364 462 H GLU 61 H GLU 61 4.179 14.362 8.865 463 HA GLU 61 HA GLU 61 1.293 14.490 8.260 464 HB2 GLU 61 HB2 GLU 61 1.823 13.686 10.563 465 HB3 GLU 61 HB3 GLU 61 2.662 15.200 10.869 466 HG2 GLU 61 HG2 GLU 61 0.562 16.419 10.510 467 HG3 GLU 61 HG3 GLU 61 -0.267 14.885 10.252 468 H HIS 62 H HIS 62 0.670 16.273 7.334 469 HA HIS 62 HA HIS 62 2.365 18.475 6.817 470 HD2 HIS 62 HD2 HIS 62 1.502 20.069 3.997 471 HE1 HIS 62 HE1 HIS 62 -1.083 22.828 5.905 472 HE2 HIS 62 HE2 HIS 62 0.717 22.547 4.135 473 HB2 HIS 62 HB2 HIS 62 0.519 17.861 5.335 474 HB3 HIS 62 HB3 HIS 62 -0.644 18.182 6.612 475 H GLN 63 H GLN 63 -0.562 18.243 8.771 476 HA GLN 63 HA GLN 63 0.375 19.698 10.983 477 HB2 GLN 63 HB2 GLN 63 0.280 21.641 9.500 478 HB3 GLN 63 HB3 GLN 63 -1.363 21.235 9.027 479 HG2 GLN 63 HG2 GLN 63 -2.128 21.651 11.301 480 HG3 GLN 63 HG3 GLN 63 -0.482 22.048 11.787 481 HE21 GLN 63 HE21 GLN 63 -1.065 24.110 12.417 482 HE22 GLN 63 HE22 GLN 63 -1.450 25.353 11.274 483 H ASP 64 H ASP 64 -2.606 19.484 9.058 484 HA ASP 64 HA ASP 64 -3.807 17.912 11.242 485 HB2 ASP 64 HB2 ASP 64 -4.738 20.240 11.040 486 HB3 ASP 64 HB3 ASP 64 -5.291 19.826 9.421 487 H ASP 65 H ASP 65 -2.433 17.509 8.486 488 HA ASP 65 HA ASP 65 -4.365 15.537 7.497 489 HB2 ASP 65 HB2 ASP 65 -4.110 17.779 6.121 490 HB3 ASP 65 HB3 ASP 65 -2.630 17.015 5.547 491 H LEU 66 H LEU 66 -3.155 13.989 5.909 492 HA LEU 66 HA LEU 66 -0.560 13.319 7.142 493 HG LEU 66 HG LEU 66 -3.145 12.731 8.752 494 HB2 LEU 66 HB2 LEU 66 -2.865 11.422 6.661 495 HB3 LEU 66 HB3 LEU 66 -1.266 10.949 7.201 496 HD11 LEU 66 HD11 LEU 66 -2.454 9.819 9.107 497 HD12 LEU 66 HD12 LEU 66 -4.012 10.468 8.601 498 HD13 LEU 66 HD13 LEU 66 -3.411 10.789 10.228 499 HD21 LEU 66 HD21 LEU 66 -0.791 13.170 9.221 500 HD22 LEU 66 HD22 LEU 66 -0.524 11.452 9.521 501 HD23 LEU 66 HD23 LEU 66 -1.576 12.380 10.590 502 H TRP 67 H TRP 67 0.945 13.094 5.628 503 HA TRP 67 HA TRP 67 0.151 12.144 2.950 504 HD1 TRP 67 HD1 TRP 67 0.338 15.658 5.068 505 HE1 TRP 67 HE1 TRP 67 -1.547 17.279 4.397 506 HE3 TRP 67 HE3 TRP 67 -0.180 14.361 0.135 507 HZ2 TRP 67 HZ2 TRP 67 -3.062 17.910 2.122 508 HZ3 TRP 67 HZ3 TRP 67 -1.879 15.521 -1.204 509 HH2 TRP 67 HH2 TRP 67 -3.291 17.259 -0.233 510 HB2 TRP 67 HB2 TRP 67 2.158 14.361 3.419 511 HB3 TRP 67 HB3 TRP 67 1.515 13.810 1.878 512 H VAL 68 H VAL 68 1.202 10.260 2.672 513 HA VAL 68 HA VAL 68 3.727 9.746 3.980 514 HB VAL 68 HB VAL 68 2.072 7.935 3.692 515 HG11 VAL 68 HG11 VAL 68 1.749 6.886 1.506 516 HG12 VAL 68 HG12 VAL 68 2.698 8.169 0.754 517 HG13 VAL 68 HG13 VAL 68 1.160 8.549 1.532 518 HG21 VAL 68 HG21 VAL 68 4.425 7.373 3.986 519 HG22 VAL 68 HG22 VAL 68 4.669 7.433 2.241 520 HG23 VAL 68 HG23 VAL 68 3.622 6.198 2.944 521 H ALA 69 H ALA 69 5.738 9.614 3.018 522 HA ALA 69 HA ALA 69 5.902 10.823 0.339 523 HB1 ALA 69 HB1 ALA 69 8.094 11.652 0.975 524 HB2 ALA 69 HB2 ALA 69 7.964 10.846 2.539 525 HB3 ALA 69 HB3 ALA 69 6.873 12.173 2.138 526 H SER 70 H SER 70 6.650 9.654 -1.260 527 HA SER 70 HA SER 70 7.767 7.046 -0.908 528 HG SER 70 HG SER 70 8.221 6.090 -3.283 529 HB2 SER 70 HB2 SER 70 6.444 7.452 -2.877 530 HB3 SER 70 HB3 SER 70 7.446 8.828 -3.334 531 HA PRO 71 HA PRO 71 12.004 8.433 -0.451 532 HB2 PRO 71 HB2 PRO 71 13.146 5.969 -0.508 533 HB3 PRO 71 HB3 PRO 71 12.320 6.612 0.917 534 HG2 PRO 71 HG2 PRO 71 11.295 4.726 -1.174 535 HG3 PRO 71 HG3 PRO 71 11.115 4.640 0.587 536 HD2 PRO 71 HD2 PRO 71 9.147 5.553 -1.020 537 HD3 PRO 71 HD3 PRO 71 9.413 6.201 0.613 538 H LEU 72 H LEU 72 10.924 6.201 -2.993 539 HA LEU 72 HA LEU 72 13.374 6.621 -4.502 540 HG LEU 72 HG LEU 72 12.264 3.982 -3.289 541 HB2 LEU 72 HB2 LEU 72 10.938 4.953 -5.106 542 HB3 LEU 72 HB3 LEU 72 12.366 5.029 -6.118 543 HD11 LEU 72 HD11 LEU 72 11.173 2.507 -4.897 544 HD12 LEU 72 HD12 LEU 72 12.688 1.812 -4.318 545 HD13 LEU 72 HD13 LEU 72 12.610 2.548 -5.919 546 HD21 LEU 72 HD21 LEU 72 14.409 5.031 -3.791 547 HD22 LEU 72 HD22 LEU 72 14.546 4.068 -5.260 548 HD23 LEU 72 HD23 LEU 72 14.575 3.278 -3.682 549 H LYS 73 H LYS 73 9.902 6.863 -5.317 550 HA LYS 73 HA LYS 73 10.451 8.445 -7.638 551 HB2 LYS 73 HB2 LYS 73 7.903 7.698 -6.213 552 HB3 LYS 73 HB3 LYS 73 7.916 8.747 -7.622 553 HG2 LYS 73 HG2 LYS 73 8.936 5.913 -7.548 554 HG3 LYS 73 HG3 LYS 73 7.378 6.432 -8.196 555 HD2 LYS 73 HD2 LYS 73 8.746 7.988 -9.709 556 HD3 LYS 73 HD3 LYS 73 10.135 7.005 -9.242 557 HE2 LYS 73 HE2 LYS 73 7.619 6.015 -10.582 558 HE3 LYS 73 HE3 LYS 73 9.185 6.244 -11.354 559 HZ1 LYS 73 HZ1 LYS 73 10.046 4.589 -9.663 560 HZ2 LYS 73 HZ2 LYS 73 9.045 3.978 -10.886 561 HZ3 LYS 73 HZ3 LYS 73 8.418 4.220 -9.331 562 H LYS 74 H LYS 74 9.860 9.082 -4.338 563 HA LYS 74 HA LYS 74 9.464 10.885 -3.069 564 HB2 LYS 74 HB2 LYS 74 11.620 11.666 -3.876 565 HB3 LYS 74 HB3 LYS 74 10.853 12.391 -5.290 566 HG2 LYS 74 HG2 LYS 74 9.522 13.828 -3.779 567 HG3 LYS 74 HG3 LYS 74 10.406 13.160 -2.412 568 HD2 LYS 74 HD2 LYS 74 12.474 14.076 -3.264 569 HD3 LYS 74 HD3 LYS 74 11.645 14.667 -4.709 570 HE2 LYS 74 HE2 LYS 74 10.995 15.498 -1.882 571 HE3 LYS 74 HE3 LYS 74 11.999 16.425 -2.995 572 HZ1 LYS 74 HZ1 LYS 74 9.173 15.688 -3.558 573 HZ2 LYS 74 HZ2 LYS 74 10.151 16.755 -4.438 574 HZ3 LYS 74 HZ3 LYS 74 9.640 17.165 -2.874 575 H GLN 75 H GLN 75 7.300 10.901 -3.068 576 HA GLN 75 HA GLN 75 6.252 13.407 -3.817 577 HB2 GLN 75 HB2 GLN 75 4.245 12.483 -5.056 578 HB3 GLN 75 HB3 GLN 75 5.755 12.542 -5.950 579 HG2 GLN 75 HG2 GLN 75 6.062 10.197 -5.735 580 HG3 GLN 75 HG3 GLN 75 4.721 10.075 -4.593 581 HE21 GLN 75 HE21 GLN 75 3.015 11.895 -6.010 582 HE22 GLN 75 HE22 GLN 75 2.456 11.064 -7.412 583 H HIS 76 H HIS 76 4.197 13.805 -2.870 584 HA HIS 76 HA HIS 76 3.881 12.249 -0.434 585 HD1 HIS 76 HD1 HIS 76 5.231 15.647 -1.771 586 HD2 HIS 76 HD2 HIS 76 4.213 14.668 2.152 587 HE1 HIS 76 HE1 HIS 76 7.040 16.636 -0.325 588 HE2 HIS 76 HE2 HIS 76 6.297 16.200 2.050 589 HB2 HIS 76 HB2 HIS 76 2.675 14.875 -1.335 590 HB3 HIS 76 HB3 HIS 76 2.367 14.125 0.227 591 H PHE 77 H PHE 77 2.060 11.125 0.113 592 HA PHE 77 HA PHE 77 -0.218 11.218 -1.755 593 HD1 PHE 77 HD2 PHE 77 -0.306 9.151 -3.815 594 HD2 PHE 77 HD1 PHE 77 2.999 8.549 -1.205 595 HE1 PHE 77 HE2 PHE 77 1.101 8.555 -5.741 596 HE2 PHE 77 HE1 PHE 77 4.411 7.948 -3.126 597 HZ PHE 77 HZ PHE 77 3.462 7.947 -5.397 598 HB2 PHE 77 HB2 PHE 77 0.812 8.748 -0.341 599 HB3 PHE 77 HB3 PHE 77 -0.595 8.826 -1.389 600 H ARG 78 H ARG 78 -1.968 11.963 -0.687 601 HA ARG 78 HA ARG 78 -2.101 11.930 2.165 602 HE ARG 78 HE ARG 78 -6.300 13.682 0.303 603 HB2 ARG 78 HB2 ARG 78 -3.246 13.689 0.945 604 HB3 ARG 78 HB3 ARG 78 -4.257 12.506 0.123 605 HG2 ARG 78 HG2 ARG 78 -5.489 12.037 2.026 606 HG3 ARG 78 HG3 ARG 78 -4.248 12.678 3.104 607 HD2 ARG 78 HD2 ARG 78 -6.166 14.164 3.001 608 HD3 ARG 78 HD3 ARG 78 -4.734 14.936 2.331 609 HH11 ARG 78 HH11 ARG 78 -6.113 16.487 2.379 610 HH12 ARG 78 HH12 ARG 78 -7.023 17.514 1.308 611 HH21 ARG 78 HH21 ARG 78 -7.494 15.001 -1.116 612 HH22 ARG 78 HH22 ARG 78 -7.783 16.673 -0.721 613 H LEU 79 H LEU 79 -3.110 10.550 3.514 614 HA LEU 79 HA LEU 79 -3.301 7.871 2.538 615 HG LEU 79 HG LEU 79 -1.593 9.477 4.762 616 HB2 LEU 79 HB2 LEU 79 -3.903 8.938 5.293 617 HB3 LEU 79 HB3 LEU 79 -3.636 7.258 4.871 618 HD11 LEU 79 HD11 LEU 79 -0.487 8.165 6.517 619 HD12 LEU 79 HD12 LEU 79 -1.861 7.060 6.540 620 HD13 LEU 79 HD13 LEU 79 -2.077 8.746 7.016 621 HD21 LEU 79 HD21 LEU 79 0.007 7.760 4.146 622 HD22 LEU 79 HD22 LEU 79 -1.278 7.864 2.940 623 HD23 LEU 79 HD23 LEU 79 -1.274 6.549 4.116 624 H TYR 80 H TYR 80 -5.533 10.074 2.052 625 HA TYR 80 HA TYR 80 -7.732 8.207 2.625 626 HD1 TYR 80 HD2 TYR 80 -9.381 7.824 2.916 627 HD2 TYR 80 HD1 TYR 80 -10.043 11.757 4.384 628 HE1 TYR 80 HE2 TYR 80 -11.653 7.178 3.595 629 HE2 TYR 80 HE1 TYR 80 -12.316 11.123 5.072 630 HH TYR 80 HH TYR 80 -13.390 7.849 5.107 631 HB2 TYR 80 HB2 TYR 80 -7.564 10.373 4.083 632 HB3 TYR 80 HB3 TYR 80 -8.209 11.167 2.651 633 H ASP 81 H ASP 81 -5.964 9.479 0.244 634 HA ASP 81 HA ASP 81 -7.884 8.757 -1.716 635 HB2 ASP 81 HB2 ASP 81 -7.618 11.039 -2.963 636 HB3 ASP 81 HB3 ASP 81 -8.854 10.848 -1.730 637 H GLY 82 H GLY 82 -5.225 11.103 -1.959 638 HA2 GLY 82 HA2 GLY 82 -3.052 9.686 -2.520 639 HA3 GLY 82 HA3 GLY 82 -4.002 9.358 -3.961 640 H PHE 83 H PHE 83 -4.385 12.473 -2.499 641 HA PHE 83 HA PHE 83 -3.312 13.814 -4.764 642 HD1 PHE 83 HD1 PHE 83 -6.439 13.874 -2.566 643 HD2 PHE 83 HD2 PHE 83 -4.484 16.587 -5.192 644 HE1 PHE 83 HE1 PHE 83 -8.566 14.271 -3.731 645 HE2 PHE 83 HE2 PHE 83 -6.610 16.992 -6.362 646 HZ PHE 83 HZ PHE 83 -8.654 15.833 -5.632 647 HB2 PHE 83 HB2 PHE 83 -4.236 14.736 -2.059 648 HB3 PHE 83 HB3 PHE 83 -3.426 15.854 -3.152 649 H CYS 84 H CYS 84 -1.405 15.084 -4.917 650 HA CYS 84 HA CYS 84 0.746 13.750 -3.452 651 HG CYS 84 HG CYS 84 -0.278 12.297 -5.541 652 HB2 CYS 84 HB2 CYS 84 0.890 15.320 -6.027 653 HB3 CYS 84 HB3 CYS 84 2.173 14.340 -5.323 654 H LEU 85 H LEU 85 -0.873 16.545 -3.134 655 HA LEU 85 HA LEU 85 -0.527 18.496 -2.040 656 HG LEU 85 HG LEU 85 2.069 19.633 -0.698 657 HB2 LEU 85 HB2 LEU 85 0.528 17.054 -0.365 658 HB3 LEU 85 HB3 LEU 85 2.064 17.204 -1.193 659 HD11 LEU 85 HD11 LEU 85 -0.384 18.985 0.932 660 HD12 LEU 85 HD12 LEU 85 -0.338 19.979 -0.525 661 HD13 LEU 85 HD13 LEU 85 0.486 20.520 0.937 662 HD21 LEU 85 HD21 LEU 85 3.235 18.074 0.769 663 HD22 LEU 85 HD22 LEU 85 1.759 17.836 1.705 664 HD23 LEU 85 HD23 LEU 85 2.549 19.412 1.690 665 H GLU 86 H GLU 86 2.850 17.801 -2.915 666 HA GLU 86 HA GLU 86 2.952 20.410 -4.297 667 HB2 GLU 86 HB2 GLU 86 5.276 18.798 -3.230 668 HB3 GLU 86 HB3 GLU 86 5.307 20.461 -3.792 669 HG2 GLU 86 HG2 GLU 86 4.085 21.207 -1.893 670 HG3 GLU 86 HG3 GLU 86 3.754 19.550 -1.387 671 H ASP 87 H ASP 87 3.832 17.032 -4.412 672 HA ASP 87 HA ASP 87 5.243 17.251 -6.919 673 HB2 ASP 87 HB2 ASP 87 4.431 14.679 -5.585 674 HB3 ASP 87 HB3 ASP 87 5.846 14.998 -6.579 675 H GLY 88 H GLY 88 4.577 15.071 -8.360 676 HA2 GLY 88 HA2 GLY 88 1.770 14.588 -8.535 677 HA3 GLY 88 HA3 GLY 88 2.300 15.707 -9.781 678 H ALA 89 H ALA 89 1.707 12.542 -9.147 679 HA ALA 89 HA ALA 89 2.749 11.703 -11.647 680 HB1 ALA 89 HB1 ALA 89 4.851 11.639 -10.385 681 HB2 ALA 89 HB2 ALA 89 4.351 10.032 -10.914 682 HB3 ALA 89 HB3 ALA 89 4.121 10.519 -9.233 683 H TYR 90 H TYR 90 2.533 9.674 -8.757 684 HA TYR 90 HA TYR 90 0.516 8.067 -10.042 685 HD1 TYR 90 HD1 TYR 90 1.311 5.642 -10.377 686 HD2 TYR 90 HD2 TYR 90 4.134 7.387 -7.715 687 HE1 TYR 90 HE1 TYR 90 3.122 4.400 -11.486 688 HE2 TYR 90 HE2 TYR 90 5.950 6.158 -8.821 689 HH TYR 90 HH TYR 90 6.167 4.022 -10.160 690 HB2 TYR 90 HB2 TYR 90 1.889 7.775 -7.363 691 HB3 TYR 90 HB3 TYR 90 0.716 6.633 -8.003 692 H SER 91 H SER 91 -1.084 9.793 -10.040 693 HA SER 91 HA SER 91 -2.396 10.462 -7.588 694 HG SER 91 HG SER 91 -2.131 12.514 -8.900 695 HB2 SER 91 HB2 SER 91 -3.512 10.537 -10.404 696 HB3 SER 91 HB3 SER 91 -4.155 11.383 -8.996 697 H VAL 92 H VAL 92 -3.020 8.729 -6.407 698 HA VAL 92 HA VAL 92 -4.294 6.474 -7.786 699 HB VAL 92 HB VAL 92 -3.786 5.163 -5.776 700 HG11 VAL 92 HG11 VAL 92 -1.338 5.162 -5.994 701 HG12 VAL 92 HG12 VAL 92 -1.424 6.699 -6.852 702 HG13 VAL 92 HG13 VAL 92 -2.141 5.253 -7.562 703 HG21 VAL 92 HG21 VAL 92 -2.420 6.102 -3.979 704 HG22 VAL 92 HG22 VAL 92 -3.961 6.949 -4.113 705 HG23 VAL 92 HG23 VAL 92 -2.491 7.686 -4.748 706 H ALA 93 H ALA 93 -5.729 5.238 -5.948 707 HA ALA 93 HA ALA 93 -7.680 7.204 -4.950 708 HB1 ALA 93 HB1 ALA 93 -8.302 4.548 -6.243 709 HB2 ALA 93 HB2 ALA 93 -8.551 6.137 -6.970 710 HB3 ALA 93 HB3 ALA 93 -9.480 5.662 -5.548 711 H ALA 94 H ALA 94 -9.290 5.922 -3.404 712 HA ALA 94 HA ALA 94 -7.664 4.315 -1.574 713 HB1 ALA 94 HB1 ALA 94 -7.493 6.647 -0.850 714 HB2 ALA 94 HB2 ALA 94 -8.383 5.670 0.317 715 HB3 ALA 94 HB3 ALA 94 -9.252 6.751 -0.771 716 H TYR 95 H TYR 95 -8.735 2.509 -1.268 717 HA TYR 95 HA TYR 95 -11.612 2.334 -1.433 718 HD1 TYR 95 HD1 TYR 95 -8.011 0.710 -2.329 719 HD2 TYR 95 HD2 TYR 95 -12.076 -0.261 -3.131 720 HE1 TYR 95 HE1 TYR 95 -7.427 0.205 -4.658 721 HE2 TYR 95 HE2 TYR 95 -11.498 -0.768 -5.469 722 HH TYR 95 HH TYR 95 -8.192 -0.977 -6.520 723 HB2 TYR 95 HB2 TYR 95 -9.596 0.266 -0.514 724 HB3 TYR 95 HB3 TYR 95 -11.294 -0.037 -0.861 725 H ASP 96 H ASP 96 -12.996 1.781 0.323 726 HA ASP 96 HA ASP 96 -12.127 2.908 2.843 727 HB2 ASP 96 HB2 ASP 96 -14.494 3.063 1.715 728 HB3 ASP 96 HB3 ASP 96 -14.755 1.502 2.488 729 H THR 97 H THR 97 -12.584 1.649 4.902 730 HA THR 97 HA THR 97 -11.793 -1.166 4.565 731 HB THR 97 HB THR 97 -10.109 -0.696 6.486 732 HG1 THR 97 HG1 THR 97 -10.457 1.910 5.378 733 HG21 THR 97 HG21 THR 97 -9.425 -1.362 4.240 734 HG22 THR 97 HG22 THR 97 -8.339 -0.129 4.882 735 HG23 THR 97 HG23 THR 97 -9.562 0.309 3.690 736 H GLN 98 H GLN 98 -12.480 -2.509 6.163 737 HA GLN 98 HA GLN 98 -13.781 -1.303 8.515 738 HB2 GLN 98 HB2 GLN 98 -15.476 -2.208 7.027 739 HB3 GLN 98 HB3 GLN 98 -14.633 -3.745 6.963 740 HG2 GLN 98 HG2 GLN 98 -15.021 -3.984 9.407 741 HG3 GLN 98 HG3 GLN 98 -16.013 -2.528 9.338 742 HE21 GLN 98 HE21 GLN 98 -15.778 -5.885 8.459 743 HE22 GLN 98 HE22 GLN 98 -17.434 -6.091 8.018 744 H VAL 99 H VAL 99 -13.301 -2.160 10.415 745 HA VAL 99 HA VAL 99 -11.335 -4.348 10.482 746 HB VAL 99 HB VAL 99 -11.989 -2.421 12.723 747 HG11 VAL 99 HG11 VAL 99 -9.900 -3.254 13.702 748 HG12 VAL 99 HG12 VAL 99 -9.717 -4.371 12.348 749 HG13 VAL 99 HG13 VAL 99 -11.072 -4.550 13.464 750 HG21 VAL 99 HG21 VAL 99 -9.697 -2.350 10.760 751 HG22 VAL 99 HG22 VAL 99 -9.860 -1.315 12.180 752 HG23 VAL 99 HG23 VAL 99 -11.024 -1.191 10.860 753 H THR 100 H THR 100 -12.375 -6.220 10.687 754 HA THR 100 HA THR 100 -14.966 -6.281 12.007 755 HB THR 100 HB THR 100 -13.616 -8.608 10.664 756 HG1 THR 100 HG1 THR 100 -14.134 -6.286 9.537 757 HG21 THR 100 HG21 THR 100 -15.927 -9.276 10.187 758 HG22 THR 100 HG22 THR 100 -16.520 -7.817 10.981 759 HG23 THR 100 HG23 THR 100 -15.686 -9.054 11.921 760 H ASN 101 H ASN 101 -12.267 -8.546 11.985 761 HA ASN 101 HA ASN 101 -12.492 -8.755 14.919 762 HB2 ASN 101 HB2 ASN 101 -11.631 -10.857 12.904 763 HB3 ASN 101 HB3 ASN 101 -11.507 -11.051 14.651 764 HD21 ASN 101 HD21 ASN 101 -13.624 -11.002 11.918 765 HD22 ASN 101 HD22 ASN 101 -15.047 -11.536 12.746 766 H GLY 102 H GLY 102 -9.879 -10.453 14.422 767 HA2 GLY 102 HA2 GLY 102 -8.050 -8.218 14.644 768 HA3 GLY 102 HA3 GLY 102 -7.629 -9.929 14.713 769 H ASN 103 H ASN 103 -9.460 -8.310 12.188 770 HA ASN 103 HA ASN 103 -7.263 -8.640 10.308 771 HB2 ASN 103 HB2 ASN 103 -8.863 -9.737 8.671 772 HB3 ASN 103 HB3 ASN 103 -8.323 -10.743 10.007 773 HD21 ASN 103 HD21 ASN 103 -10.094 -12.093 9.673 774 HD22 ASN 103 HD22 ASN 103 -11.690 -11.659 10.201 775 H VAL 104 H VAL 104 -7.556 -7.517 8.330 776 HA VAL 104 HA VAL 104 -9.432 -5.258 8.575 777 HB VAL 104 HB VAL 104 -6.838 -5.409 7.021 778 HG11 VAL 104 HG11 VAL 104 -7.126 -3.001 6.699 779 HG12 VAL 104 HG12 VAL 104 -8.686 -3.076 7.517 780 HG13 VAL 104 HG13 VAL 104 -8.456 -3.910 5.980 781 HG21 VAL 104 HG21 VAL 104 -5.959 -3.861 8.698 782 HG22 VAL 104 HG22 VAL 104 -6.457 -5.384 9.434 783 HG23 VAL 104 HG23 VAL 104 -7.478 -3.955 9.586 784 H GLN 105 H GLN 105 -10.998 -5.077 7.102 785 HA GLN 105 HA GLN 105 -10.700 -6.546 4.560 786 HB2 GLN 105 HB2 GLN 105 -13.248 -6.071 6.125 787 HB3 GLN 105 HB3 GLN 105 -13.149 -6.850 4.554 788 HG2 GLN 105 HG2 GLN 105 -11.627 -8.553 5.664 789 HG3 GLN 105 HG3 GLN 105 -12.153 -7.858 7.197 790 HE21 GLN 105 HE21 GLN 105 -14.284 -8.151 7.871 791 HE22 GLN 105 HE22 GLN 105 -15.327 -9.315 7.130 792 H ILE 106 H ILE 106 -10.803 -5.311 2.796 793 HA ILE 106 HA ILE 106 -11.775 -2.560 3.079 794 HB ILE 106 HB ILE 106 -10.462 -1.901 1.269 795 HG12 ILE 106 HG12 ILE 106 -11.129 -3.687 -0.309 796 HG13 ILE 106 HG13 ILE 106 -9.402 -3.363 -0.357 797 HG21 ILE 106 HG21 ILE 106 -8.908 -4.052 2.689 798 HG22 ILE 106 HG22 ILE 106 -9.083 -2.367 3.183 799 HG23 ILE 106 HG23 ILE 106 -8.198 -2.768 1.711 800 HD11 ILE 106 HD11 ILE 106 -9.010 -5.359 1.009 801 HD12 ILE 106 HD12 ILE 106 -9.831 -5.728 -0.509 802 HD13 ILE 106 HD13 ILE 106 -10.744 -5.687 1.001 803 H SER 107 H SER 107 -12.915 -1.662 1.120 804 HA SER 107 HA SER 107 -14.934 -3.591 0.292 805 HG SER 107 HG SER 107 -17.070 -2.432 0.021 806 HB2 SER 107 HB2 SER 107 -15.537 -1.303 1.209 807 HB3 SER 107 HB3 SER 107 -14.903 -0.626 -0.291 808 H ILE 108 H ILE 108 -14.013 -4.811 -1.306 809 HA ILE 108 HA ILE 108 -12.588 -3.655 -3.497 810 HB ILE 108 HB ILE 108 -13.775 -6.409 -3.133 811 HG12 ILE 108 HG12 ILE 108 -11.869 -5.862 -1.672 812 HG13 ILE 108 HG13 ILE 108 -11.444 -7.104 -2.845 813 HG21 ILE 108 HG21 ILE 108 -13.720 -5.868 -5.510 814 HG22 ILE 108 HG22 ILE 108 -12.512 -7.090 -5.113 815 HG23 ILE 108 HG23 ILE 108 -12.021 -5.417 -5.378 816 HD11 ILE 108 HD11 ILE 108 -9.639 -5.511 -2.593 817 HD12 ILE 108 HD12 ILE 108 -10.727 -4.185 -3.005 818 HD13 ILE 108 HD13 ILE 108 -10.326 -5.403 -4.215 819 H ALA 109 H ALA 109 -13.694 -2.221 -4.666 820 HA ALA 109 HA ALA 109 -16.054 -3.210 -6.091 821 HB1 ALA 109 HB1 ALA 109 -17.159 -1.041 -5.856 822 HB2 ALA 109 HB2 ALA 109 -15.831 -0.471 -4.844 823 HB3 ALA 109 HB3 ALA 109 -16.866 -1.780 -4.280 824 H ASP 110 H ASP 110 -15.118 -3.451 -8.031 825 HA ASP 110 HA ASP 110 -13.514 -1.246 -9.108 826 HB2 ASP 110 HB2 ASP 110 -12.729 -2.780 -10.798 827 HB3 ASP 110 HB3 ASP 110 -12.562 -3.552 -9.230 828 H SER 111 H SER 111 -14.074 -0.163 -10.948 829 HA SER 111 HA SER 111 -16.760 0.159 -11.613 830 HG SER 111 HG SER 111 -16.277 2.591 -13.412 831 HB2 SER 111 HB2 SER 111 -14.855 1.738 -12.152 832 HB3 SER 111 HB3 SER 111 -14.429 0.663 -13.481 833 H ASP 112 H ASP 112 -14.302 -1.296 -13.740 834 HA ASP 112 HA ASP 112 -15.610 -3.789 -13.886 835 HB2 ASP 112 HB2 ASP 112 -17.167 -2.541 -15.364 836 HB3 ASP 112 HB3 ASP 112 -15.810 -2.128 -16.410 837 H VAL 113 H VAL 113 -13.470 -4.243 -13.255 838 HA VAL 113 HA VAL 113 -11.417 -3.870 -15.320 839 HB VAL 113 HB VAL 113 -11.064 -4.930 -12.517 840 HG11 VAL 113 HG11 VAL 113 -8.681 -4.407 -12.901 841 HG12 VAL 113 HG12 VAL 113 -9.068 -3.997 -14.572 842 HG13 VAL 113 HG13 VAL 113 -9.301 -5.646 -13.992 843 HG21 VAL 113 HG21 VAL 113 -10.594 -2.139 -13.559 844 HG22 VAL 113 HG22 VAL 113 -10.181 -2.718 -11.945 845 HG23 VAL 113 HG23 VAL 113 -11.870 -2.633 -12.446 846 H ALA 114 H ALA 114 -10.862 -5.455 -16.599 847 HA ALA 114 HA ALA 114 -11.016 -8.224 -15.795 848 HB1 ALA 114 HB1 ALA 114 -12.510 -8.926 -17.581 849 HB2 ALA 114 HB2 ALA 114 -12.725 -7.251 -18.086 850 HB3 ALA 114 HB3 ALA 114 -13.327 -7.782 -16.515 851 H VAL 115 H VAL 115 -9.066 -8.855 -16.397 852 HA VAL 115 HA VAL 115 -8.355 -8.730 -19.198 853 HB VAL 115 HB VAL 115 -7.297 -6.689 -18.434 854 HG11 VAL 115 HG11 VAL 115 -7.187 -7.145 -16.049 855 HG12 VAL 115 HG12 VAL 115 -5.603 -6.671 -16.666 856 HG13 VAL 115 HG13 VAL 115 -5.946 -8.368 -16.328 857 HG21 VAL 115 HG21 VAL 115 -6.062 -7.992 -20.066 858 HG22 VAL 115 HG22 VAL 115 -5.283 -8.909 -18.776 859 HG23 VAL 115 HG23 VAL 115 -4.944 -7.188 -18.962 860 H ASP 116 H ASP 116 -7.450 -10.609 -19.809 861 HA ASP 116 HA ASP 116 -6.652 -12.438 -17.638 862 HB2 ASP 116 HB2 ASP 116 -8.825 -13.028 -18.688 863 HB3 ASP 116 HB3 ASP 116 -8.002 -13.187 -20.239 864 H ASN 117 H ASN 117 -4.533 -12.530 -17.694 865 HA ASN 117 HA ASN 117 -3.257 -13.536 -20.121 866 HB2 ASN 117 HB2 ASN 117 -2.818 -11.188 -20.344 867 HB3 ASN 117 HB3 ASN 117 -2.389 -11.046 -18.643 868 HD21 ASN 117 HD21 ASN 117 -1.314 -12.010 -21.801 869 HD22 ASN 117 HD22 ASN 117 0.353 -12.238 -21.379 870 H SER 118 H SER 118 -3.137 -12.849 -16.695 871 HA SER 118 HA SER 118 -0.858 -14.640 -16.364 872 HG SER 118 HG SER 118 -2.916 -12.920 -13.861 873 HB2 SER 118 HB2 SER 118 -0.814 -13.674 -14.027 874 HB3 SER 118 HB3 SER 118 -0.518 -12.509 -15.319 875 H GLN 119 H GLN 119 -2.274 -16.468 -16.807 876 HA GLN 119 HA GLN 119 -4.253 -17.262 -14.918 877 HB2 GLN 119 HB2 GLN 119 -4.112 -18.179 -17.222 878 HB3 GLN 119 HB3 GLN 119 -2.617 -18.995 -16.782 879 HG2 GLN 119 HG2 GLN 119 -3.926 -20.180 -14.987 880 HG3 GLN 119 HG3 GLN 119 -5.382 -19.516 -15.726 881 HE21 GLN 119 HE21 GLN 119 -4.587 -22.285 -15.406 882 HE22 GLN 119 HE22 GLN 119 -4.526 -22.965 -16.997 883 HA PRO 120 HA PRO 120 -1.131 -18.613 -11.980 884 HB2 PRO 120 HB2 PRO 120 -2.573 -18.169 -9.771 885 HB3 PRO 120 HB3 PRO 120 -1.890 -16.834 -10.705 886 HG2 PRO 120 HG2 PRO 120 -4.697 -17.753 -10.505 887 HG3 PRO 120 HG3 PRO 120 -4.062 -16.138 -10.859 888 HD2 PRO 120 HD2 PRO 120 -5.011 -18.092 -12.719 889 HD3 PRO 120 HD3 PRO 120 -4.304 -16.504 -13.077 890 H LEU 121 H LEU 121 -1.160 -20.232 -10.170 891 HA LEU 121 HA LEU 121 -3.156 -22.334 -10.665 892 HG LEU 121 HG LEU 121 -0.237 -22.274 -11.871 893 HB2 LEU 121 HB2 LEU 121 -0.403 -22.570 -9.433 894 HB3 LEU 121 HB3 LEU 121 -1.527 -23.894 -9.673 895 HD11 LEU 121 HD11 LEU 121 0.268 -25.097 -10.940 896 HD12 LEU 121 HD12 LEU 121 1.350 -23.719 -10.730 897 HD13 LEU 121 HD13 LEU 121 1.000 -24.325 -12.347 898 HD21 LEU 121 HD21 LEU 121 -2.039 -24.690 -12.003 899 HD22 LEU 121 HD22 LEU 121 -1.210 -23.947 -13.371 900 HD23 LEU 121 HD23 LEU 121 -2.456 -23.049 -12.502 901 HA PRO 122 HA PRO 122 -4.169 -20.776 -6.517 902 HB2 PRO 122 HB2 PRO 122 -6.930 -21.022 -7.042 903 HB3 PRO 122 HB3 PRO 122 -5.967 -19.546 -7.125 904 HG2 PRO 122 HG2 PRO 122 -7.193 -20.860 -9.284 905 HG3 PRO 122 HG3 PRO 122 -5.984 -19.572 -9.388 906 HD2 PRO 122 HD2 PRO 122 -5.649 -22.515 -9.671 907 HD3 PRO 122 HD3 PRO 122 -4.756 -21.192 -10.451 908 H LEU 123 H LEU 123 -4.144 -22.144 -4.841 909 HA LEU 123 HA LEU 123 -5.128 -24.848 -5.172 910 HG LEU 123 HG LEU 123 -5.119 -25.624 -2.176 911 HB2 LEU 123 HB2 LEU 123 -3.014 -24.382 -3.956 912 HB3 LEU 123 HB3 LEU 123 -3.937 -23.535 -2.728 913 HD11 LEU 123 HD11 LEU 123 -4.356 -27.745 -3.098 914 HD12 LEU 123 HD12 LEU 123 -3.243 -26.891 -4.167 915 HD13 LEU 123 HD13 LEU 123 -4.985 -26.695 -4.368 916 HD21 LEU 123 HD21 LEU 123 -3.118 -25.026 -0.936 917 HD22 LEU 123 HD22 LEU 123 -2.113 -25.844 -2.132 918 HD23 LEU 123 HD23 LEU 123 -3.227 -26.776 -1.131 919 H GLU 124 H GLU 124 -7.299 -24.739 -5.325 920 HA GLU 124 HA GLU 124 -8.807 -23.457 -3.174 921 HB2 GLU 124 HB2 GLU 124 -9.464 -22.970 -5.501 922 HB3 GLU 124 HB3 GLU 124 -9.738 -24.682 -5.780 923 HG2 GLU 124 HG2 GLU 124 -11.561 -24.694 -4.207 924 HG3 GLU 124 HG3 GLU 124 -11.244 -23.012 -3.781 925 H HIS 125 H HIS 125 -8.925 -24.754 -1.439 926 HA HIS 125 HA HIS 125 -8.622 -27.558 -1.560 927 HD1 HIS 125 HD1 HIS 125 -7.145 -28.632 0.780 928 HD2 HIS 125 HD2 HIS 125 -11.060 -27.966 2.026 929 HE1 HIS 125 HE1 HIS 125 -7.720 -30.564 2.287 930 HE2 HIS 125 HE2 HIS 125 -10.050 -30.079 3.124 931 HB2 HIS 125 HB2 HIS 125 -8.049 -26.175 0.416 932 HB3 HIS 125 HB3 HIS 125 -9.766 -25.917 0.705 933 H HIS 126 H HIS 126 -11.496 -25.511 -1.164 934 HA HIS 126 HA HIS 126 -13.121 -27.901 -1.731 935 HD1 HIS 126 HD1 HIS 126 -16.647 -25.329 -0.198 936 HD2 HIS 126 HD2 HIS 126 -15.087 -29.047 -1.228 937 HE1 HIS 126 HE1 HIS 126 -18.632 -26.847 -0.484 938 HE2 HIS 126 HE2 HIS 126 -17.667 -29.017 -1.339 939 HB2 HIS 126 HB2 HIS 126 -13.635 -26.562 0.378 940 HB3 HIS 126 HB3 HIS 126 -14.166 -25.263 -0.688 941 H HIS 127 H HIS 127 -13.045 -28.013 -3.886 942 HA HIS 127 HA HIS 127 -12.816 -25.745 -5.564 943 HD1 HIS 127 HD1 HIS 127 -11.124 -29.510 -5.211 944 HD2 HIS 127 HD2 HIS 127 -10.678 -26.217 -7.702 945 HE1 HIS 127 HE1 HIS 127 -8.654 -29.328 -5.652 946 HE2 HIS 127 HE2 HIS 127 -8.400 -27.182 -6.954 947 HB2 HIS 127 HB2 HIS 127 -13.305 -28.660 -6.113 948 HB3 HIS 127 HB3 HIS 127 -13.242 -27.468 -7.405 949 H HIS 128 H HIS 128 -14.291 -24.473 -6.413 950 HA HIS 128 HA HIS 128 -17.097 -25.170 -6.365 951 HD1 HIS 128 HD1 HIS 128 -13.790 -22.390 -6.889 952 HD2 HIS 128 HD2 HIS 128 -16.739 -22.101 -9.816 953 HE1 HIS 128 HE1 HIS 128 -12.742 -21.128 -8.788 954 HE2 HIS 128 HE2 HIS 128 -14.635 -20.706 -10.392 955 HB2 HIS 128 HB2 HIS 128 -17.511 -23.012 -7.374 956 HB3 HIS 128 HB3 HIS 128 -16.344 -22.801 -6.081 957 H HIS 129 H HIS 129 -18.211 -26.127 -8.009 958 HA HIS 129 HA HIS 129 -16.567 -26.887 -10.334 959 HD1 HIS 129 HD1 HIS 129 -19.194 -30.049 -10.728 960 HD2 HIS 129 HD2 HIS 129 -15.042 -29.782 -10.621 961 HE1 HIS 129 HE1 HIS 129 -18.357 -31.722 -12.408 962 HE2 HIS 129 HE2 HIS 129 -15.853 -31.444 -12.433 963 HB2 HIS 129 HB2 HIS 129 -16.550 -28.625 -8.536 964 HB3 HIS 129 HB3 HIS 129 -18.294 -28.763 -8.707 965 H HIS 130 H HIS 130 -17.599 -27.172 -12.245 966 HA HIS 130 HA HIS 130 -20.523 -26.897 -12.261 967 HD1 HIS 130 HD1 HIS 130 -17.237 -24.051 -13.490 968 HD2 HIS 130 HD2 HIS 130 -18.484 -26.942 -16.211 969 HE1 HIS 130 HE1 HIS 130 -15.391 -24.229 -15.187 970 HE2 HIS 130 HE2 HIS 130 -16.169 -25.972 -16.838 971 HB2 HIS 130 HB2 HIS 130 -20.376 -25.645 -14.377 972 HB3 HIS 130 HB3 HIS 130 -19.571 -24.797 -13.065 Start of MODEL 17 1 HA MET 1 HA MET 1 -20.198 -4.933 3.601 2 H1 MET 1 H1 MET 1 -22.876 -5.543 4.696 3 H2 MET 1 H2 MET 1 -22.554 -4.464 3.429 4 H3 MET 1 H3 MET 1 -21.967 -4.139 4.989 5 HB2 MET 1 HB2 MET 1 -20.099 -5.508 5.958 6 HB3 MET 1 HB3 MET 1 -21.124 -6.911 5.694 7 HG2 MET 1 HG2 MET 1 -19.393 -7.963 4.368 8 HG3 MET 1 HG3 MET 1 -18.371 -6.536 4.528 9 HE1 MET 1 HE1 MET 1 -20.055 -9.544 6.444 10 HE2 MET 1 HE2 MET 1 -20.648 -8.128 7.312 11 HE3 MET 1 HE3 MET 1 -19.523 -9.236 8.097 12 H SER 2 H SER 2 -20.510 -5.468 1.490 13 HA SER 2 HA SER 2 -21.442 -8.213 0.977 14 HG SER 2 HG SER 2 -23.641 -7.071 0.264 15 HB2 SER 2 HB2 SER 2 -21.370 -5.900 -0.969 16 HB3 SER 2 HB3 SER 2 -22.055 -7.499 -1.260 17 H GLN 3 H GLN 3 -19.440 -5.939 -0.929 18 HA GLN 3 HA GLN 3 -17.586 -8.137 -1.422 19 HB2 GLN 3 HB2 GLN 3 -17.804 -5.387 -2.648 20 HB3 GLN 3 HB3 GLN 3 -16.523 -6.527 -3.037 21 HG2 GLN 3 HG2 GLN 3 -18.274 -8.141 -3.769 22 HG3 GLN 3 HG3 GLN 3 -19.473 -6.867 -3.531 23 HE21 GLN 3 HE21 GLN 3 -16.798 -7.978 -5.449 24 HE22 GLN 3 HE22 GLN 3 -17.018 -6.869 -6.768 25 H TRP 4 H TRP 4 -16.766 -8.203 0.701 26 HA TRP 4 HA TRP 4 -14.660 -6.207 1.182 27 HD1 TRP 4 HD1 TRP 4 -18.577 -5.939 2.102 28 HE1 TRP 4 HE1 TRP 4 -19.162 -3.435 2.212 29 HE3 TRP 4 HE3 TRP 4 -14.093 -4.167 3.728 30 HZ2 TRP 4 HZ2 TRP 4 -17.866 -1.018 2.905 31 HZ3 TRP 4 HZ3 TRP 4 -13.835 -1.746 4.092 32 HH2 TRP 4 HH2 TRP 4 -15.684 -0.204 3.685 33 HB2 TRP 4 HB2 TRP 4 -16.569 -7.342 3.236 34 HB3 TRP 4 HB3 TRP 4 -15.105 -6.451 3.639 35 H THR 5 H THR 5 -12.949 -7.464 0.617 36 HA THR 5 HA THR 5 -12.823 -10.222 1.489 37 HB THR 5 HB THR 5 -10.564 -10.085 0.269 38 HG1 THR 5 HG1 THR 5 -10.415 -7.804 0.217 39 HG21 THR 5 HG21 THR 5 -11.647 -10.269 -1.934 40 HG22 THR 5 HG22 THR 5 -13.132 -9.612 -1.241 41 HG23 THR 5 HG23 THR 5 -12.518 -11.172 -0.695 42 H THR 6 H THR 6 -11.582 -11.003 3.086 43 HA THR 6 HA THR 6 -10.441 -9.213 5.002 44 HB THR 6 HB THR 6 -10.231 -12.225 4.784 45 HG1 THR 6 HG1 THR 6 -12.301 -10.662 5.383 46 HG21 THR 6 HG21 THR 6 -9.675 -12.169 7.169 47 HG22 THR 6 HG22 THR 6 -9.705 -10.405 7.139 48 HG23 THR 6 HG23 THR 6 -8.483 -11.284 6.218 49 H VAL 7 H VAL 7 -8.569 -8.208 4.664 50 HA VAL 7 HA VAL 7 -6.625 -9.249 2.798 51 HB VAL 7 HB VAL 7 -6.470 -6.788 4.550 52 HG11 VAL 7 HG11 VAL 7 -4.773 -6.033 2.939 53 HG12 VAL 7 HG12 VAL 7 -4.872 -7.594 2.124 54 HG13 VAL 7 HG13 VAL 7 -4.286 -7.503 3.784 55 HG21 VAL 7 HG21 VAL 7 -7.392 -7.094 1.694 56 HG22 VAL 7 HG22 VAL 7 -7.120 -5.557 2.515 57 HG23 VAL 7 HG23 VAL 7 -8.386 -6.647 3.081 58 H CYS 8 H CYS 8 -6.126 -7.924 6.058 59 HA CYS 8 HA CYS 8 -4.667 -10.292 6.886 60 HG CYS 8 HG CYS 8 -3.333 -10.028 4.566 61 HB2 CYS 8 HB2 CYS 8 -3.329 -7.575 6.719 62 HB3 CYS 8 HB3 CYS 8 -2.645 -8.991 7.510 63 H LYS 9 H LYS 9 -3.745 -9.781 9.212 64 HA LYS 9 HA LYS 9 -5.998 -8.883 10.768 65 HB2 LYS 9 HB2 LYS 9 -3.251 -9.768 11.682 66 HB3 LYS 9 HB3 LYS 9 -4.636 -9.504 12.726 67 HG2 LYS 9 HG2 LYS 9 -4.553 -11.796 12.503 68 HG3 LYS 9 HG3 LYS 9 -5.782 -11.325 11.330 69 HD2 LYS 9 HD2 LYS 9 -4.144 -11.481 9.533 70 HD3 LYS 9 HD3 LYS 9 -2.887 -11.899 10.700 71 HE2 LYS 9 HE2 LYS 9 -3.711 -13.898 9.600 72 HE3 LYS 9 HE3 LYS 9 -4.145 -13.919 11.309 73 HZ1 LYS 9 HZ1 LYS 9 -5.912 -13.298 9.007 74 HZ2 LYS 9 HZ2 LYS 9 -6.359 -13.036 10.618 75 HZ3 LYS 9 HZ3 LYS 9 -6.030 -14.609 10.079 76 H LEU 10 H LEU 10 -6.144 -7.032 12.001 77 HA LEU 10 HA LEU 10 -4.574 -4.777 11.352 78 HG LEU 10 HG LEU 10 -4.958 -2.809 13.006 79 HB2 LEU 10 HB2 LEU 10 -6.831 -4.553 12.216 80 HB3 LEU 10 HB3 LEU 10 -6.375 -5.336 13.715 81 HD11 LEU 10 HD11 LEU 10 -6.763 -1.463 13.939 82 HD12 LEU 10 HD12 LEU 10 -7.777 -2.898 14.071 83 HD13 LEU 10 HD13 LEU 10 -7.293 -2.305 12.482 84 HD21 LEU 10 HD21 LEU 10 -4.395 -4.077 15.042 85 HD22 LEU 10 HD22 LEU 10 -6.064 -3.917 15.592 86 HD23 LEU 10 HD23 LEU 10 -5.050 -2.484 15.421 87 H ASP 11 H ASP 11 -4.130 -7.361 13.490 88 HA ASP 11 HA ASP 11 -2.234 -6.035 15.235 89 HB2 ASP 11 HB2 ASP 11 -3.739 -7.618 16.255 90 HB3 ASP 11 HB3 ASP 11 -3.306 -8.860 15.086 91 H ASP 12 H ASP 12 -2.273 -7.828 12.344 92 HA ASP 12 HA ASP 12 0.430 -8.863 12.636 93 HB2 ASP 12 HB2 ASP 12 -1.341 -10.277 11.643 94 HB3 ASP 12 HB3 ASP 12 -1.534 -9.109 10.342 95 H ILE 13 H ILE 13 -1.258 -6.233 11.184 96 HA ILE 13 HA ILE 13 0.743 -5.626 9.198 97 HB ILE 13 HB ILE 13 -1.511 -3.899 10.238 98 HG12 ILE 13 HG12 ILE 13 -1.374 -5.597 7.737 99 HG13 ILE 13 HG13 ILE 13 -2.220 -6.064 9.208 100 HG21 ILE 13 HG21 ILE 13 0.221 -2.577 9.157 101 HG22 ILE 13 HG22 ILE 13 -1.220 -2.646 8.143 102 HG23 ILE 13 HG23 ILE 13 0.182 -3.642 7.753 103 HD11 ILE 13 HD11 ILE 13 -3.756 -5.198 7.549 104 HD12 ILE 13 HD12 ILE 13 -2.852 -3.684 7.483 105 HD13 ILE 13 HD13 ILE 13 -3.701 -4.139 8.959 106 H LEU 14 H LEU 14 2.655 -4.760 9.648 107 HA LEU 14 HA LEU 14 3.326 -3.703 12.191 108 HG LEU 14 HG LEU 14 4.512 -5.924 10.339 109 HB2 LEU 14 HB2 LEU 14 4.824 -3.611 9.573 110 HB3 LEU 14 HB3 LEU 14 5.499 -3.184 11.130 111 HD11 LEU 14 HD11 LEU 14 7.306 -4.866 10.747 112 HD12 LEU 14 HD12 LEU 14 6.579 -5.319 9.207 113 HD13 LEU 14 HD13 LEU 14 6.877 -6.548 10.438 114 HD21 LEU 14 HD21 LEU 14 5.468 -6.657 12.462 115 HD22 LEU 14 HD22 LEU 14 4.190 -5.467 12.719 116 HD23 LEU 14 HD23 LEU 14 5.881 -4.988 12.858 117 HA PRO 15 HA PRO 15 2.006 0.483 11.616 118 HB2 PRO 15 HB2 PRO 15 3.369 1.592 13.693 119 HB3 PRO 15 HB3 PRO 15 1.900 0.629 13.898 120 HG2 PRO 15 HG2 PRO 15 4.763 -0.184 14.226 121 HG3 PRO 15 HG3 PRO 15 3.363 -0.579 15.240 122 HD2 PRO 15 HD2 PRO 15 4.381 -2.312 13.433 123 HD3 PRO 15 HD3 PRO 15 2.649 -2.253 13.822 124 H GLY 16 H GLY 16 2.685 2.324 10.656 125 HA2 GLY 16 HA2 GLY 16 4.152 3.949 9.897 126 HA3 GLY 16 HA3 GLY 16 5.489 3.030 10.572 127 H THR 17 H THR 17 3.267 1.324 8.519 128 HA THR 17 HA THR 17 4.921 1.682 6.167 129 HB THR 17 HB THR 17 5.176 -0.984 6.185 130 HG1 THR 17 HG1 THR 17 4.288 -0.824 8.494 131 HG21 THR 17 HG21 THR 17 7.081 0.928 7.532 132 HG22 THR 17 HG22 THR 17 6.983 0.608 5.800 133 HG23 THR 17 HG23 THR 17 7.495 -0.666 6.907 134 H GLY 18 H GLY 18 4.217 0.255 4.356 135 HA2 GLY 18 HA2 GLY 18 1.532 -0.863 4.638 136 HA3 GLY 18 HA3 GLY 18 1.756 0.434 3.472 137 H VAL 19 H VAL 19 1.080 -2.503 3.179 138 HA VAL 19 HA VAL 19 3.232 -3.141 1.287 139 HB VAL 19 HB VAL 19 2.895 -5.558 1.775 140 HG11 VAL 19 HG11 VAL 19 4.770 -4.366 2.758 141 HG12 VAL 19 HG12 VAL 19 4.144 -5.558 3.897 142 HG13 VAL 19 HG13 VAL 19 3.761 -3.850 4.109 143 HG21 VAL 19 HG21 VAL 19 1.285 -4.536 4.116 144 HG22 VAL 19 HG22 VAL 19 1.769 -6.210 3.845 145 HG23 VAL 19 HG23 VAL 19 0.650 -5.427 2.731 146 H CYS 20 H CYS 20 2.682 -4.018 -0.677 147 HA CYS 20 HA CYS 20 -0.012 -3.734 -1.555 148 HG CYS 20 HG CYS 20 2.966 -6.387 -2.343 149 HB2 CYS 20 HB2 CYS 20 0.915 -4.793 -3.661 150 HB3 CYS 20 HB3 CYS 20 1.714 -3.313 -3.139 151 H ALA 21 H ALA 21 -1.485 -5.091 -0.758 152 HA ALA 21 HA ALA 21 -0.874 -7.941 -0.559 153 HB1 ALA 21 HB1 ALA 21 -3.323 -6.419 0.326 154 HB2 ALA 21 HB2 ALA 21 -1.964 -6.871 1.351 155 HB3 ALA 21 HB3 ALA 21 -2.988 -8.119 0.645 156 H LEU 22 H LEU 22 -1.610 -9.401 -1.960 157 HA LEU 22 HA LEU 22 -3.155 -8.491 -4.246 158 HG LEU 22 HG LEU 22 -1.738 -11.298 -6.229 159 HB2 LEU 22 HB2 LEU 22 -1.086 -9.956 -4.408 160 HB3 LEU 22 HB3 LEU 22 -2.041 -11.250 -3.723 161 HD11 LEU 22 HD11 LEU 22 -4.034 -11.970 -6.702 162 HD12 LEU 22 HD12 LEU 22 -4.571 -11.201 -5.208 163 HD13 LEU 22 HD13 LEU 22 -3.490 -12.591 -5.142 164 HD21 LEU 22 HD21 LEU 22 -3.645 -8.969 -6.107 165 HD22 LEU 22 HD22 LEU 22 -3.183 -9.847 -7.567 166 HD23 LEU 22 HD23 LEU 22 -1.974 -8.926 -6.671 167 H VAL 23 H VAL 23 -5.258 -8.290 -3.709 168 HA VAL 23 HA VAL 23 -6.555 -10.623 -2.464 169 HB VAL 23 HB VAL 23 -8.452 -9.018 -1.945 170 HG11 VAL 23 HG11 VAL 23 -5.775 -8.506 -0.651 171 HG12 VAL 23 HG12 VAL 23 -6.888 -9.812 -0.246 172 HG13 VAL 23 HG13 VAL 23 -7.347 -8.136 0.053 173 HG21 VAL 23 HG21 VAL 23 -7.897 -6.634 -1.823 174 HG22 VAL 23 HG22 VAL 23 -7.829 -7.219 -3.485 175 HG23 VAL 23 HG23 VAL 23 -6.337 -6.956 -2.582 176 H GLU 24 H GLU 24 -7.472 -11.876 -3.868 177 HA GLU 24 HA GLU 24 -8.699 -12.670 -5.586 178 HB2 GLU 24 HB2 GLU 24 -9.844 -9.890 -5.489 179 HB3 GLU 24 HB3 GLU 24 -10.394 -11.087 -6.655 180 HG2 GLU 24 HG2 GLU 24 -10.486 -11.373 -3.657 181 HG3 GLU 24 HG3 GLU 24 -11.853 -11.006 -4.709 182 H GLN 25 H GLN 25 -8.156 -9.357 -6.756 183 HA GLN 25 HA GLN 25 -6.210 -10.262 -8.686 184 HB2 GLN 25 HB2 GLN 25 -7.548 -9.330 -10.620 185 HB3 GLN 25 HB3 GLN 25 -8.123 -10.850 -9.954 186 HG2 GLN 25 HG2 GLN 25 -9.808 -9.567 -8.646 187 HG3 GLN 25 HG3 GLN 25 -9.283 -8.115 -9.497 188 HE21 GLN 25 HE21 GLN 25 -9.385 -11.233 -11.056 189 HE22 GLN 25 HE22 GLN 25 -10.733 -10.885 -12.087 190 H GLN 26 H GLN 26 -6.962 -8.159 -6.485 191 HA GLN 26 HA GLN 26 -5.927 -5.830 -7.960 192 HB2 GLN 26 HB2 GLN 26 -7.893 -6.010 -5.688 193 HB3 GLN 26 HB3 GLN 26 -7.043 -4.521 -6.057 194 HG2 GLN 26 HG2 GLN 26 -8.717 -6.000 -8.065 195 HG3 GLN 26 HG3 GLN 26 -9.352 -4.737 -7.014 196 HE21 GLN 26 HE21 GLN 26 -6.907 -3.167 -7.103 197 HE22 GLN 26 HE22 GLN 26 -6.858 -2.432 -8.663 198 H GLN 27 H GLN 27 -4.127 -4.855 -7.186 199 HA GLN 27 HA GLN 27 -2.950 -5.882 -4.705 200 HB2 GLN 27 HB2 GLN 27 -1.784 -4.339 -7.021 201 HB3 GLN 27 HB3 GLN 27 -0.919 -4.549 -5.504 202 HG2 GLN 27 HG2 GLN 27 -1.047 -6.988 -5.797 203 HG3 GLN 27 HG3 GLN 27 -1.842 -6.737 -7.351 204 HE21 GLN 27 HE21 GLN 27 1.142 -6.472 -5.582 205 HE22 GLN 27 HE22 GLN 27 2.169 -6.231 -6.950 206 H ILE 28 H ILE 28 -3.412 -4.786 -2.944 207 HA ILE 28 HA ILE 28 -3.799 -1.860 -3.144 208 HB ILE 28 HB ILE 28 -5.096 -3.783 -1.194 209 HG12 ILE 28 HG12 ILE 28 -6.285 -2.288 -3.542 210 HG13 ILE 28 HG13 ILE 28 -5.964 -4.019 -3.491 211 HG21 ILE 28 HG21 ILE 28 -4.739 -1.593 -0.211 212 HG22 ILE 28 HG22 ILE 28 -6.455 -1.853 -0.524 213 HG23 ILE 28 HG23 ILE 28 -5.509 -0.822 -1.599 214 HD11 ILE 28 HD11 ILE 28 -7.888 -2.546 -1.706 215 HD12 ILE 28 HD12 ILE 28 -7.595 -4.285 -1.721 216 HD13 ILE 28 HD13 ILE 28 -8.320 -3.501 -3.124 217 H ALA 29 H ALA 29 -2.670 -0.591 -1.784 218 HA ALA 29 HA ALA 29 -0.613 -1.866 -0.162 219 HB1 ALA 29 HB1 ALA 29 0.353 0.372 -0.002 220 HB2 ALA 29 HB2 ALA 29 -1.044 1.042 -0.845 221 HB3 ALA 29 HB3 ALA 29 0.044 -0.066 -1.682 222 H VAL 30 H VAL 30 -1.026 -2.286 1.900 223 HA VAL 30 HA VAL 30 -3.180 -0.776 3.222 224 HB VAL 30 HB VAL 30 -1.842 -3.301 4.215 225 HG11 VAL 30 HG11 VAL 30 -4.426 -1.946 4.981 226 HG12 VAL 30 HG12 VAL 30 -2.957 -2.025 5.951 227 HG13 VAL 30 HG13 VAL 30 -3.864 -3.497 5.603 228 HG21 VAL 30 HG21 VAL 30 -2.893 -3.729 2.055 229 HG22 VAL 30 HG22 VAL 30 -4.399 -3.017 2.638 230 HG23 VAL 30 HG23 VAL 30 -3.793 -4.508 3.358 231 H PHE 31 H PHE 31 -2.359 1.023 4.065 232 HA PHE 31 HA PHE 31 0.232 1.138 5.317 233 HD1 PHE 31 HD2 PHE 31 -1.957 2.646 2.629 234 HD2 PHE 31 HD1 PHE 31 1.366 4.205 4.778 235 HE1 PHE 31 HE2 PHE 31 -0.976 3.449 0.522 236 HE2 PHE 31 HE1 PHE 31 2.351 5.014 2.677 237 HZ PHE 31 HZ PHE 31 1.181 4.638 0.545 238 HB2 PHE 31 HB2 PHE 31 -2.023 3.135 5.095 239 HB3 PHE 31 HB3 PHE 31 -0.519 3.474 5.935 240 H ARG 32 H ARG 32 0.690 1.085 7.441 241 HA ARG 32 HA ARG 32 -1.536 1.268 9.343 242 HE ARG 32 HE ARG 32 -2.723 0.150 13.199 243 HB2 ARG 32 HB2 ARG 32 -0.101 -0.803 9.456 244 HB3 ARG 32 HB3 ARG 32 1.240 0.239 9.907 245 HG2 ARG 32 HG2 ARG 32 0.457 -0.594 11.930 246 HG3 ARG 32 HG3 ARG 32 -0.253 1.017 11.833 247 HD2 ARG 32 HD2 ARG 32 -2.330 -0.009 10.946 248 HD3 ARG 32 HD3 ARG 32 -1.610 -1.597 11.197 249 HH11 ARG 32 HH11 ARG 32 -0.481 -2.494 12.646 250 HH12 ARG 32 HH12 ARG 32 -0.639 -3.128 14.253 251 HH21 ARG 32 HH21 ARG 32 -2.929 -0.692 15.306 252 HH22 ARG 32 HH22 ARG 32 -2.024 -2.106 15.770 253 HA PRO 33 HA PRO 33 0.739 5.247 9.111 254 HB2 PRO 33 HB2 PRO 33 -1.787 6.412 10.071 255 HB3 PRO 33 HB3 PRO 33 -0.869 6.774 8.606 256 HG2 PRO 33 HG2 PRO 33 -3.204 5.460 8.504 257 HG3 PRO 33 HG3 PRO 33 -1.872 5.078 7.397 258 HD2 PRO 33 HD2 PRO 33 -2.735 3.639 9.884 259 HD3 PRO 33 HD3 PRO 33 -2.255 2.971 8.308 260 H ARG 34 H ARG 34 -1.522 4.480 11.752 261 HA ARG 34 HA ARG 34 0.416 5.706 13.609 262 HE ARG 34 HE ARG 34 -2.907 9.730 13.377 263 HB2 ARG 34 HB2 ARG 34 -2.546 5.240 13.997 264 HB3 ARG 34 HB3 ARG 34 -1.465 5.948 15.185 265 HG2 ARG 34 HG2 ARG 34 -1.084 7.852 13.694 266 HG3 ARG 34 HG3 ARG 34 -2.192 7.138 12.515 267 HD2 ARG 34 HD2 ARG 34 -3.951 7.140 14.289 268 HD3 ARG 34 HD3 ARG 34 -2.840 8.046 15.314 269 HH11 ARG 34 HH11 ARG 34 -5.556 7.695 14.383 270 HH12 ARG 34 HH12 ARG 34 -6.794 8.789 13.857 271 HH21 ARG 34 HH21 ARG 34 -4.540 11.224 12.692 272 HH22 ARG 34 HH22 ARG 34 -6.211 10.804 12.905 273 H ASN 35 H ASN 35 0.864 4.592 15.573 274 HA ASN 35 HA ASN 35 0.438 1.744 15.592 275 HB2 ASN 35 HB2 ASN 35 2.446 2.772 16.644 276 HB3 ASN 35 HB3 ASN 35 1.406 3.557 17.828 277 HD21 ASN 35 HD21 ASN 35 2.364 2.526 19.564 278 HD22 ASN 35 HD22 ASN 35 2.133 0.838 19.880 279 H ASP 36 H ASP 36 -1.862 1.957 15.272 280 HA ASP 36 HA ASP 36 -3.432 2.094 17.679 281 HB2 ASP 36 HB2 ASP 36 -3.093 4.494 17.109 282 HB3 ASP 36 HB3 ASP 36 -3.788 4.206 15.523 283 H GLU 37 H GLU 37 -5.916 2.227 16.723 284 HA GLU 37 HA GLU 37 -6.154 -0.179 15.159 285 HB2 GLU 37 HB2 GLU 37 -8.337 1.692 16.083 286 HB3 GLU 37 HB3 GLU 37 -8.507 0.004 15.624 287 HG2 GLU 37 HG2 GLU 37 -7.167 -0.657 17.556 288 HG3 GLU 37 HG3 GLU 37 -7.006 1.040 18.015 289 H GLN 38 H GLN 38 -5.857 3.082 14.512 290 HA GLN 38 HA GLN 38 -7.503 3.301 12.198 291 HB2 GLN 38 HB2 GLN 38 -6.846 5.234 13.555 292 HB3 GLN 38 HB3 GLN 38 -5.161 4.969 13.140 293 HG2 GLN 38 HG2 GLN 38 -7.125 5.398 10.950 294 HG3 GLN 38 HG3 GLN 38 -6.605 6.776 11.918 295 HE21 GLN 38 HE21 GLN 38 -6.155 6.164 9.108 296 HE22 GLN 38 HE22 GLN 38 -4.439 6.190 8.892 297 H VAL 39 H VAL 39 -7.132 2.557 10.227 298 HA VAL 39 HA VAL 39 -4.372 2.084 9.332 299 HB VAL 39 HB VAL 39 -5.116 0.032 8.147 300 HG11 VAL 39 HG11 VAL 39 -5.222 -1.433 10.103 301 HG12 VAL 39 HG12 VAL 39 -5.570 -0.037 11.125 302 HG13 VAL 39 HG13 VAL 39 -4.012 -0.166 10.310 303 HG21 VAL 39 HG21 VAL 39 -7.668 0.423 9.710 304 HG22 VAL 39 HG22 VAL 39 -7.250 -1.025 8.796 305 HG23 VAL 39 HG23 VAL 39 -7.490 0.510 7.959 306 H TYR 40 H TYR 40 -4.320 1.765 6.872 307 HA TYR 40 HA TYR 40 -6.493 3.071 5.439 308 HD1 TYR 40 HD1 TYR 40 -6.294 5.109 3.278 309 HD2 TYR 40 HD2 TYR 40 -5.419 6.112 7.314 310 HE1 TYR 40 HE1 TYR 40 -7.872 6.989 3.151 311 HE2 TYR 40 HE2 TYR 40 -6.996 7.991 7.198 312 HH TYR 40 HH TYR 40 -7.941 9.474 5.340 313 HB2 TYR 40 HB2 TYR 40 -4.132 4.495 6.238 314 HB3 TYR 40 HB3 TYR 40 -4.161 4.352 4.484 315 H ALA 41 H ALA 41 -6.797 1.396 4.025 316 HA ALA 41 HA ALA 41 -4.460 0.484 2.494 317 HB1 ALA 41 HB1 ALA 41 -5.790 -1.284 3.545 318 HB2 ALA 41 HB2 ALA 41 -5.827 -1.398 1.785 319 HB3 ALA 41 HB3 ALA 41 -7.212 -0.739 2.655 320 H ILE 42 H ILE 42 -4.128 1.614 0.694 321 HA ILE 42 HA ILE 42 -6.465 2.454 -0.889 322 HB ILE 42 HB ILE 42 -5.413 4.592 -1.393 323 HG12 ILE 42 HG12 ILE 42 -3.281 3.819 0.610 324 HG13 ILE 42 HG13 ILE 42 -3.058 3.816 -1.137 325 HG21 ILE 42 HG21 ILE 42 -5.621 4.061 1.567 326 HG22 ILE 42 HG22 ILE 42 -6.927 4.541 0.485 327 HG23 ILE 42 HG23 ILE 42 -5.607 5.660 0.820 328 HD11 ILE 42 HD11 ILE 42 -2.124 5.814 -0.106 329 HD12 ILE 42 HD12 ILE 42 -3.714 6.230 0.537 330 HD13 ILE 42 HD13 ILE 42 -3.442 6.211 -1.206 331 H SER 43 H SER 43 -5.540 3.407 -3.093 332 HA SER 43 HA SER 43 -4.035 1.260 -4.310 333 HG SER 43 HG SER 43 -6.487 1.492 -5.710 334 HB2 SER 43 HB2 SER 43 -4.936 3.825 -5.635 335 HB3 SER 43 HB3 SER 43 -4.599 2.272 -6.400 336 H ASN 44 H ASN 44 -2.033 1.605 -3.156 337 HA ASN 44 HA ASN 44 -0.529 3.946 -4.149 338 HB2 ASN 44 HB2 ASN 44 -1.166 4.086 -1.717 339 HB3 ASN 44 HB3 ASN 44 -0.163 2.668 -1.435 340 HD21 ASN 44 HD21 ASN 44 -0.178 6.032 -2.353 341 HD22 ASN 44 HD22 ASN 44 1.495 6.324 -2.032 342 H ILE 45 H ILE 45 -0.074 2.344 -5.849 343 HA ILE 45 HA ILE 45 2.209 0.622 -5.117 344 HB ILE 45 HB ILE 45 0.186 0.034 -7.296 345 HG12 ILE 45 HG12 ILE 45 -0.888 -0.209 -5.107 346 HG13 ILE 45 HG13 ILE 45 -0.647 -1.780 -5.865 347 HG21 ILE 45 HG21 ILE 45 2.417 -1.639 -6.151 348 HG22 ILE 45 HG22 ILE 45 2.400 -0.857 -7.733 349 HG23 ILE 45 HG23 ILE 45 1.264 -2.159 -7.384 350 HD11 ILE 45 HD11 ILE 45 1.285 -2.179 -4.449 351 HD12 ILE 45 HD12 ILE 45 -0.155 -1.840 -3.486 352 HD13 ILE 45 HD13 ILE 45 1.074 -0.594 -3.704 353 H ASP 46 H ASP 46 4.005 1.005 -6.305 354 HA ASP 46 HA ASP 46 3.895 3.046 -8.356 355 HB2 ASP 46 HB2 ASP 46 5.744 2.982 -6.692 356 HB3 ASP 46 HB3 ASP 46 6.270 1.447 -7.377 357 HA PRO 47 HA PRO 47 3.132 0.040 -11.513 358 HB2 PRO 47 HB2 PRO 47 3.990 2.203 -13.339 359 HB3 PRO 47 HB3 PRO 47 2.456 1.329 -13.269 360 HG2 PRO 47 HG2 PRO 47 2.637 3.863 -12.447 361 HG3 PRO 47 HG3 PRO 47 1.604 2.690 -11.605 362 HD2 PRO 47 HD2 PRO 47 4.313 3.719 -10.844 363 HD3 PRO 47 HD3 PRO 47 2.895 3.412 -9.818 364 H PHE 48 H PHE 48 6.148 1.653 -11.028 365 HA PHE 48 HA PHE 48 7.466 0.012 -13.077 366 HD1 PHE 48 HD2 PHE 48 8.504 1.734 -15.080 367 HD2 PHE 48 HD1 PHE 48 7.025 4.034 -11.820 368 HE1 PHE 48 HE2 PHE 48 7.513 3.334 -16.664 369 HE2 PHE 48 HE1 PHE 48 6.030 5.640 -13.397 370 HZ PHE 48 HZ PHE 48 6.275 5.290 -15.823 371 HB2 PHE 48 HB2 PHE 48 8.572 2.303 -11.435 372 HB3 PHE 48 HB3 PHE 48 9.392 1.489 -12.761 373 H ALA 49 H ALA 49 6.557 -0.403 -10.037 374 HA ALA 49 HA ALA 49 8.915 -2.040 -9.387 375 HB1 ALA 49 HB1 ALA 49 8.705 -1.460 -7.036 376 HB2 ALA 49 HB2 ALA 49 7.349 -0.397 -7.405 377 HB3 ALA 49 HB3 ALA 49 8.959 -0.014 -8.014 378 H GLN 50 H GLN 50 5.466 -1.581 -9.223 379 HA GLN 50 HA GLN 50 3.727 -3.031 -9.083 380 HB2 GLN 50 HB2 GLN 50 5.422 -4.481 -10.464 381 HB3 GLN 50 HB3 GLN 50 5.574 -5.396 -8.969 382 HG2 GLN 50 HG2 GLN 50 3.952 -6.487 -10.312 383 HG3 GLN 50 HG3 GLN 50 3.094 -5.693 -8.992 384 HE21 GLN 50 HE21 GLN 50 1.152 -5.588 -10.092 385 HE22 GLN 50 HE22 GLN 50 0.907 -4.533 -11.442 386 H ALA 51 H ALA 51 5.411 -2.107 -6.762 387 HA ALA 51 HA ALA 51 4.111 -3.755 -4.706 388 HB1 ALA 51 HB1 ALA 51 6.146 -3.862 -3.372 389 HB2 ALA 51 HB2 ALA 51 7.047 -3.026 -4.635 390 HB3 ALA 51 HB3 ALA 51 6.402 -4.640 -4.934 391 H SER 52 H SER 52 4.323 -2.657 -2.553 392 HA SER 52 HA SER 52 3.492 0.082 -2.874 393 HG SER 52 HG SER 52 4.042 -1.750 0.547 394 HB2 SER 52 HB2 SER 52 3.101 -0.130 -0.378 395 HB3 SER 52 HB3 SER 52 2.214 -1.278 -1.380 396 H VAL 53 H VAL 53 5.985 0.227 -3.670 397 HA VAL 53 HA VAL 53 7.908 0.558 -1.574 398 HB VAL 53 HB VAL 53 9.351 1.603 -3.275 399 HG11 VAL 53 HG11 VAL 53 9.338 -0.810 -3.075 400 HG12 VAL 53 HG12 VAL 53 9.533 -0.349 -4.766 401 HG13 VAL 53 HG13 VAL 53 7.969 -0.920 -4.183 402 HG21 VAL 53 HG21 VAL 53 6.965 1.295 -5.094 403 HG22 VAL 53 HG22 VAL 53 8.593 1.735 -5.610 404 HG23 VAL 53 HG23 VAL 53 7.682 2.812 -4.551 405 H LEU 54 H LEU 54 5.462 2.488 -2.956 406 HA LEU 54 HA LEU 54 6.450 5.029 -2.068 407 HG LEU 54 HG LEU 54 5.061 3.707 -4.692 408 HB2 LEU 54 HB2 LEU 54 3.616 4.259 -2.778 409 HB3 LEU 54 HB3 LEU 54 4.283 5.877 -2.743 410 HD11 LEU 54 HD11 LEU 54 3.383 6.179 -5.062 411 HD12 LEU 54 HD12 LEU 54 2.808 4.511 -5.083 412 HD13 LEU 54 HD13 LEU 54 3.901 5.084 -6.342 413 HD21 LEU 54 HD21 LEU 54 6.911 5.226 -4.244 414 HD22 LEU 54 HD22 LEU 54 5.867 6.611 -4.559 415 HD23 LEU 54 HD23 LEU 54 6.263 5.491 -5.862 416 H SER 55 H SER 55 4.883 2.361 -0.650 417 HA SER 55 HA SER 55 3.559 3.881 1.444 418 HG SER 55 HG SER 55 2.365 2.727 -0.365 419 HB2 SER 55 HB2 SER 55 3.726 0.879 1.159 420 HB3 SER 55 HB3 SER 55 2.535 1.816 2.061 421 H ARG 56 H ARG 56 6.542 2.263 0.932 422 HA ARG 56 HA ARG 56 6.973 1.903 3.808 423 HE ARG 56 HE ARG 56 11.091 -0.985 4.676 424 HB2 ARG 56 HB2 ARG 56 7.460 0.040 2.146 425 HB3 ARG 56 HB3 ARG 56 8.801 1.021 1.567 426 HG2 ARG 56 HG2 ARG 56 9.869 0.922 3.715 427 HG3 ARG 56 HG3 ARG 56 8.475 0.096 4.413 428 HD2 ARG 56 HD2 ARG 56 8.869 -1.820 2.957 429 HD3 ARG 56 HD3 ARG 56 10.241 -0.989 2.222 430 HH11 ARG 56 HH11 ARG 56 9.331 -3.566 3.093 431 HH12 ARG 56 HH12 ARG 56 10.036 -4.822 4.065 432 HH21 ARG 56 HH21 ARG 56 12.036 -2.631 5.951 433 HH22 ARG 56 HH22 ARG 56 11.585 -4.293 5.676 434 H GLY 57 H GLY 57 6.895 4.493 2.414 435 HA2 GLY 57 HA2 GLY 57 9.661 5.421 2.676 436 HA3 GLY 57 HA3 GLY 57 8.318 6.345 2.013 437 H ILE 58 H ILE 58 7.820 8.021 3.238 438 HA ILE 58 HA ILE 58 8.099 7.752 6.164 439 HB ILE 58 HB ILE 58 8.131 10.302 4.533 440 HG12 ILE 58 HG12 ILE 58 10.420 8.874 5.912 441 HG13 ILE 58 HG13 ILE 58 10.141 8.886 4.173 442 HG21 ILE 58 HG21 ILE 58 8.831 11.365 6.624 443 HG22 ILE 58 HG22 ILE 58 8.687 9.818 7.461 444 HG23 ILE 58 HG23 ILE 58 7.253 10.595 6.792 445 HD11 ILE 58 HD11 ILE 58 10.748 11.281 5.889 446 HD12 ILE 58 HD12 ILE 58 10.442 11.313 4.151 447 HD13 ILE 58 HD13 ILE 58 11.859 10.475 4.781 448 H VAL 59 H VAL 59 6.172 7.194 6.877 449 HA VAL 59 HA VAL 59 3.762 8.502 5.914 450 HB VAL 59 HB VAL 59 4.152 6.346 7.996 451 HG11 VAL 59 HG11 VAL 59 1.711 6.009 7.807 452 HG12 VAL 59 HG12 VAL 59 1.615 7.424 6.758 453 HG13 VAL 59 HG13 VAL 59 2.123 7.604 8.439 454 HG21 VAL 59 HG21 VAL 59 3.270 4.814 6.309 455 HG22 VAL 59 HG22 VAL 59 4.743 5.604 5.747 456 HG23 VAL 59 HG23 VAL 59 3.174 6.141 5.150 457 H ALA 60 H ALA 60 3.531 10.503 6.730 458 HA ALA 60 HA ALA 60 3.498 10.835 9.617 459 HB1 ALA 60 HB1 ALA 60 5.836 11.288 8.985 460 HB2 ALA 60 HB2 ALA 60 5.026 12.715 9.628 461 HB3 ALA 60 HB3 ALA 60 5.278 12.554 7.890 462 H GLU 61 H GLU 61 3.002 13.286 10.070 463 HA GLU 61 HA GLU 61 0.889 14.122 8.226 464 HB2 GLU 61 HB2 GLU 61 0.061 15.412 10.171 465 HB3 GLU 61 HB3 GLU 61 0.114 13.690 10.487 466 HG2 GLU 61 HG2 GLU 61 2.270 14.036 11.651 467 HG3 GLU 61 HG3 GLU 61 2.074 15.769 11.423 468 H HIS 62 H HIS 62 0.595 16.500 8.113 469 HA HIS 62 HA HIS 62 3.153 17.943 8.322 470 HD2 HIS 62 HD2 HIS 62 1.015 20.773 5.510 471 HE1 HIS 62 HE1 HIS 62 5.177 21.509 5.486 472 HE2 HIS 62 HE2 HIS 62 2.880 22.549 5.220 473 HB2 HIS 62 HB2 HIS 62 2.757 17.421 5.960 474 HB3 HIS 62 HB3 HIS 62 1.150 18.129 6.054 475 H GLN 63 H GLN 63 2.277 18.535 10.379 476 HA GLN 63 HA GLN 63 1.423 20.069 11.809 477 HB2 GLN 63 HB2 GLN 63 0.641 21.599 9.320 478 HB3 GLN 63 HB3 GLN 63 0.645 22.237 10.959 479 HG2 GLN 63 HG2 GLN 63 3.013 22.068 11.109 480 HG3 GLN 63 HG3 GLN 63 3.102 21.166 9.595 481 HE21 GLN 63 HE21 GLN 63 4.428 23.638 10.338 482 HE22 GLN 63 HE22 GLN 63 3.941 24.815 9.164 483 H ASP 64 H ASP 64 -0.826 19.890 9.060 484 HA ASP 64 HA ASP 64 -3.012 19.469 10.988 485 HB2 ASP 64 HB2 ASP 64 -3.221 21.637 9.919 486 HB3 ASP 64 HB3 ASP 64 -3.061 20.901 8.329 487 H ASP 65 H ASP 65 -2.156 18.895 7.568 488 HA ASP 65 HA ASP 65 -4.125 16.747 7.468 489 HB2 ASP 65 HB2 ASP 65 -3.555 18.647 5.666 490 HB3 ASP 65 HB3 ASP 65 -2.449 17.402 5.099 491 H LEU 66 H LEU 66 -3.248 14.906 5.805 492 HA LEU 66 HA LEU 66 -0.883 13.781 7.183 493 HG LEU 66 HG LEU 66 -3.895 13.643 8.191 494 HB2 LEU 66 HB2 LEU 66 -3.312 12.280 6.196 495 HB3 LEU 66 HB3 LEU 66 -1.958 11.606 7.083 496 HD11 LEU 66 HD11 LEU 66 -4.765 11.782 9.527 497 HD12 LEU 66 HD12 LEU 66 -3.719 10.669 8.645 498 HD13 LEU 66 HD13 LEU 66 -5.008 11.526 7.800 499 HD21 LEU 66 HD21 LEU 66 -2.860 13.115 10.337 500 HD22 LEU 66 HD22 LEU 66 -1.673 13.753 9.201 501 HD23 LEU 66 HD23 LEU 66 -1.732 12.022 9.534 502 H TRP 67 H TRP 67 0.752 13.156 5.861 503 HA TRP 67 HA TRP 67 0.155 12.657 3.028 504 HD1 TRP 67 HD1 TRP 67 0.534 16.071 5.341 505 HE1 TRP 67 HE1 TRP 67 -1.095 17.872 4.497 506 HE3 TRP 67 HE3 TRP 67 0.438 14.832 0.367 507 HZ2 TRP 67 HZ2 TRP 67 -2.274 18.659 2.061 508 HZ3 TRP 67 HZ3 TRP 67 -0.972 16.162 -1.145 509 HH2 TRP 67 HH2 TRP 67 -2.299 18.035 -0.316 510 HB2 TRP 67 HB2 TRP 67 2.332 14.548 3.952 511 HB3 TRP 67 HB3 TRP 67 1.912 14.162 2.288 512 H VAL 68 H VAL 68 1.219 10.897 2.308 513 HA VAL 68 HA VAL 68 3.473 9.907 3.887 514 HB VAL 68 HB VAL 68 1.728 8.269 3.350 515 HG11 VAL 68 HG11 VAL 68 2.479 8.734 0.470 516 HG12 VAL 68 HG12 VAL 68 0.944 9.149 1.233 517 HG13 VAL 68 HG13 VAL 68 1.415 7.457 1.065 518 HG21 VAL 68 HG21 VAL 68 4.353 7.736 1.973 519 HG22 VAL 68 HG22 VAL 68 3.177 6.508 2.436 520 HG23 VAL 68 HG23 VAL 68 3.983 7.469 3.676 521 H ALA 69 H ALA 69 5.493 10.102 3.252 522 HA ALA 69 HA ALA 69 6.013 11.327 0.643 523 HB1 ALA 69 HB1 ALA 69 8.195 11.909 1.544 524 HB2 ALA 69 HB2 ALA 69 7.843 11.009 3.021 525 HB3 ALA 69 HB3 ALA 69 6.912 12.456 2.625 526 H SER 70 H SER 70 6.615 10.082 -0.966 527 HA SER 70 HA SER 70 7.430 7.395 -0.726 528 HG SER 70 HG SER 70 7.668 6.587 -3.360 529 HB2 SER 70 HB2 SER 70 6.427 8.245 -2.778 530 HB3 SER 70 HB3 SER 70 7.771 9.363 -3.004 531 HA PRO 71 HA PRO 71 11.790 8.028 0.089 532 HB2 PRO 71 HB2 PRO 71 12.645 5.499 -0.324 533 HB3 PRO 71 HB3 PRO 71 11.738 5.964 1.119 534 HG2 PRO 71 HG2 PRO 71 10.808 4.553 -1.336 535 HG3 PRO 71 HG3 PRO 71 10.352 4.280 0.354 536 HD2 PRO 71 HD2 PRO 71 8.828 5.679 -1.466 537 HD3 PRO 71 HD3 PRO 71 8.733 5.890 0.294 538 H LEU 72 H LEU 72 10.755 6.179 -2.742 539 HA LEU 72 HA LEU 72 13.200 6.597 -4.172 540 HG LEU 72 HG LEU 72 13.222 4.128 -4.802 541 HB2 LEU 72 HB2 LEU 72 10.941 4.923 -4.399 542 HB3 LEU 72 HB3 LEU 72 10.999 5.868 -5.873 543 HD11 LEU 72 HD11 LEU 72 11.377 2.831 -5.695 544 HD12 LEU 72 HD12 LEU 72 12.755 2.763 -6.794 545 HD13 LEU 72 HD13 LEU 72 11.379 3.801 -7.168 546 HD21 LEU 72 HD21 LEU 72 14.079 6.101 -5.971 547 HD22 LEU 72 HD22 LEU 72 13.062 5.717 -7.360 548 HD23 LEU 72 HD23 LEU 72 14.365 4.624 -6.893 549 H LYS 73 H LYS 73 9.860 7.525 -5.035 550 HA LYS 73 HA LYS 73 10.887 9.504 -6.863 551 HB2 LYS 73 HB2 LYS 73 8.104 8.584 -6.177 552 HB3 LYS 73 HB3 LYS 73 8.391 9.962 -7.229 553 HG2 LYS 73 HG2 LYS 73 8.033 8.091 -8.627 554 HG3 LYS 73 HG3 LYS 73 9.759 8.450 -8.688 555 HD2 LYS 73 HD2 LYS 73 10.073 6.682 -6.921 556 HD3 LYS 73 HD3 LYS 73 8.382 6.242 -7.171 557 HE2 LYS 73 HE2 LYS 73 10.512 6.250 -9.308 558 HE3 LYS 73 HE3 LYS 73 9.955 4.821 -8.442 559 HZ1 LYS 73 HZ1 LYS 73 7.746 5.161 -9.353 560 HZ2 LYS 73 HZ2 LYS 73 8.896 5.028 -10.593 561 HZ3 LYS 73 HZ3 LYS 73 8.274 6.548 -10.184 562 H LYS 74 H LYS 74 9.799 9.432 -3.641 563 HA LYS 74 HA LYS 74 9.695 10.978 -2.007 564 HB2 LYS 74 HB2 LYS 74 11.282 12.564 -4.014 565 HB3 LYS 74 HB3 LYS 74 10.944 13.139 -2.384 566 HG2 LYS 74 HG2 LYS 74 12.068 11.183 -1.458 567 HG3 LYS 74 HG3 LYS 74 12.399 10.602 -3.088 568 HD2 LYS 74 HD2 LYS 74 13.807 12.510 -3.529 569 HD3 LYS 74 HD3 LYS 74 13.380 13.228 -1.974 570 HE2 LYS 74 HE2 LYS 74 15.586 12.142 -1.932 571 HE3 LYS 74 HE3 LYS 74 14.450 11.410 -0.800 572 HZ1 LYS 74 HZ1 LYS 74 15.179 10.338 -3.475 573 HZ2 LYS 74 HZ2 LYS 74 14.061 9.639 -2.408 574 HZ3 LYS 74 HZ3 LYS 74 15.694 9.728 -1.979 575 H GLN 75 H GLN 75 7.718 10.998 -4.378 576 HA GLN 75 HA GLN 75 6.536 13.602 -4.155 577 HB2 GLN 75 HB2 GLN 75 5.468 11.003 -5.276 578 HB3 GLN 75 HB3 GLN 75 4.607 12.535 -5.349 579 HG2 GLN 75 HG2 GLN 75 6.395 13.496 -6.685 580 HG3 GLN 75 HG3 GLN 75 7.303 11.990 -6.576 581 HE21 GLN 75 HE21 GLN 75 7.342 11.766 -8.807 582 HE22 GLN 75 HE22 GLN 75 5.940 11.292 -9.701 583 H HIS 76 H HIS 76 4.721 14.170 -2.969 584 HA HIS 76 HA HIS 76 4.322 12.485 -0.596 585 HD1 HIS 76 HD1 HIS 76 5.917 16.031 -1.970 586 HD2 HIS 76 HD2 HIS 76 6.017 14.321 1.818 587 HE1 HIS 76 HE1 HIS 76 8.217 16.503 -1.075 588 HE2 HIS 76 HE2 HIS 76 8.171 15.658 1.299 589 HB2 HIS 76 HB2 HIS 76 3.580 15.390 -0.988 590 HB3 HIS 76 HB3 HIS 76 3.566 14.497 0.527 591 H PHE 77 H PHE 77 2.552 11.278 -0.566 592 HA PHE 77 HA PHE 77 0.223 12.165 -2.136 593 HD1 PHE 77 HD2 PHE 77 0.053 10.633 -4.490 594 HD2 PHE 77 HD1 PHE 77 2.980 8.895 -1.931 595 HE1 PHE 77 HE2 PHE 77 1.496 10.196 -6.435 596 HE2 PHE 77 HE1 PHE 77 4.423 8.457 -3.871 597 HZ PHE 77 HZ PHE 77 3.683 9.106 -6.126 598 HB2 PHE 77 HB2 PHE 77 0.849 9.390 -1.099 599 HB3 PHE 77 HB3 PHE 77 -0.476 9.830 -2.170 600 H ARG 78 H ARG 78 -1.509 12.871 -1.050 601 HA ARG 78 HA ARG 78 -1.606 12.738 1.802 602 HE ARG 78 HE ARG 78 -5.569 14.939 -0.019 603 HB2 ARG 78 HB2 ARG 78 -2.550 14.665 0.659 604 HB3 ARG 78 HB3 ARG 78 -3.699 13.635 -0.190 605 HG2 ARG 78 HG2 ARG 78 -4.932 13.215 1.747 606 HG3 ARG 78 HG3 ARG 78 -3.629 13.764 2.801 607 HD2 ARG 78 HD2 ARG 78 -5.361 15.418 2.769 608 HD3 ARG 78 HD3 ARG 78 -3.946 16.051 1.935 609 HH11 ARG 78 HH11 ARG 78 -5.842 17.431 2.434 610 HH12 ARG 78 HH12 ARG 78 -6.903 18.435 1.485 611 HH21 ARG 78 HH21 ARG 78 -6.954 16.263 -1.285 612 HH22 ARG 78 HH22 ARG 78 -7.508 17.787 -0.637 613 H LEU 79 H LEU 79 -2.314 11.148 3.003 614 HA LEU 79 HA LEU 79 -3.609 8.860 1.846 615 HG LEU 79 HG LEU 79 -0.949 9.188 3.430 616 HB2 LEU 79 HB2 LEU 79 -3.015 9.541 4.729 617 HB3 LEU 79 HB3 LEU 79 -3.623 7.996 4.168 618 HD11 LEU 79 HD11 LEU 79 -0.022 7.410 4.832 619 HD12 LEU 79 HD12 LEU 79 -1.653 6.919 5.287 620 HD13 LEU 79 HD13 LEU 79 -1.045 8.502 5.766 621 HD21 LEU 79 HD21 LEU 79 -2.159 6.498 2.808 622 HD22 LEU 79 HD22 LEU 79 -0.500 6.982 2.459 623 HD23 LEU 79 HD23 LEU 79 -1.843 7.794 1.653 624 H TYR 80 H TYR 80 -5.481 9.964 1.026 625 HA TYR 80 HA TYR 80 -7.769 9.721 2.655 626 HD1 TYR 80 HD2 TYR 80 -8.842 10.661 4.642 627 HD2 TYR 80 HD1 TYR 80 -9.041 13.798 1.778 628 HE1 TYR 80 HE2 TYR 80 -11.097 11.222 5.427 629 HE2 TYR 80 HE1 TYR 80 -11.305 14.371 2.558 630 HH TYR 80 HH TYR 80 -12.599 13.157 5.463 631 HB2 TYR 80 HB2 TYR 80 -6.738 11.875 3.554 632 HB3 TYR 80 HB3 TYR 80 -7.076 12.587 1.983 633 H ASP 81 H ASP 81 -6.686 11.954 0.101 634 HA ASP 81 HA ASP 81 -8.840 10.916 -1.610 635 HB2 ASP 81 HB2 ASP 81 -8.837 13.074 -2.739 636 HB3 ASP 81 HB3 ASP 81 -9.050 13.303 -1.009 637 H GLY 82 H GLY 82 -5.436 11.394 -1.316 638 HA2 GLY 82 HA2 GLY 82 -3.886 10.103 -2.575 639 HA3 GLY 82 HA3 GLY 82 -5.075 9.996 -3.867 640 H PHE 83 H PHE 83 -4.661 13.084 -2.458 641 HA PHE 83 HA PHE 83 -3.767 14.243 -4.891 642 HD1 PHE 83 HD2 PHE 83 -4.590 16.161 -5.708 643 HD2 PHE 83 HD1 PHE 83 -2.908 17.623 -2.085 644 HE1 PHE 83 HE2 PHE 83 -4.081 18.296 -6.815 645 HE2 PHE 83 HE1 PHE 83 -2.397 19.763 -3.185 646 HZ PHE 83 HZ PHE 83 -2.983 20.102 -5.553 647 HB2 PHE 83 HB2 PHE 83 -5.180 15.349 -3.113 648 HB3 PHE 83 HB3 PHE 83 -3.722 15.489 -2.140 649 H CYS 84 H CYS 84 -1.760 14.815 -5.570 650 HA CYS 84 HA CYS 84 0.465 13.595 -4.154 651 HG CYS 84 HG CYS 84 0.673 11.655 -6.900 652 HB2 CYS 84 HB2 CYS 84 0.423 14.973 -6.843 653 HB3 CYS 84 HB3 CYS 84 1.701 13.936 -6.216 654 H LEU 85 H LEU 85 -0.756 16.120 -3.176 655 HA LEU 85 HA LEU 85 -0.145 18.042 -2.164 656 HG LEU 85 HG LEU 85 2.656 19.446 -2.069 657 HB2 LEU 85 HB2 LEU 85 1.667 16.716 -1.234 658 HB3 LEU 85 HB3 LEU 85 2.653 17.027 -2.650 659 HD11 LEU 85 HD11 LEU 85 1.298 18.511 0.454 660 HD12 LEU 85 HD12 LEU 85 0.594 19.540 -0.793 661 HD13 LEU 85 HD13 LEU 85 1.948 20.127 0.171 662 HD21 LEU 85 HD21 LEU 85 4.522 18.055 -1.421 663 HD22 LEU 85 HD22 LEU 85 3.684 17.566 0.051 664 HD23 LEU 85 HD23 LEU 85 4.194 19.241 -0.161 665 H GLU 86 H GLU 86 2.591 17.893 -4.431 666 HA GLU 86 HA GLU 86 1.593 20.397 -5.614 667 HB2 GLU 86 HB2 GLU 86 3.467 20.673 -3.918 668 HB3 GLU 86 HB3 GLU 86 4.501 19.809 -5.045 669 HG2 GLU 86 HG2 GLU 86 4.124 21.545 -6.720 670 HG3 GLU 86 HG3 GLU 86 3.082 22.406 -5.588 671 H ASP 87 H ASP 87 2.538 17.241 -6.128 672 HA ASP 87 HA ASP 87 3.432 17.780 -8.876 673 HB2 ASP 87 HB2 ASP 87 4.649 16.164 -7.166 674 HB3 ASP 87 HB3 ASP 87 3.411 15.026 -7.684 675 H GLY 88 H GLY 88 2.628 15.651 -10.269 676 HA2 GLY 88 HA2 GLY 88 -0.102 14.931 -9.747 677 HA3 GLY 88 HA3 GLY 88 0.036 16.155 -11.002 678 H ALA 89 H ALA 89 2.616 13.887 -10.662 679 HA ALA 89 HA ALA 89 2.322 12.916 -13.300 680 HB1 ALA 89 HB1 ALA 89 4.120 11.362 -12.729 681 HB2 ALA 89 HB2 ALA 89 3.934 11.771 -11.022 682 HB3 ALA 89 HB3 ALA 89 4.480 12.995 -12.168 683 H TYR 90 H TYR 90 1.909 11.215 -10.193 684 HA TYR 90 HA TYR 90 -0.112 9.538 -11.494 685 HD1 TYR 90 HD2 TYR 90 3.534 8.723 -12.068 686 HD2 TYR 90 HD1 TYR 90 -0.048 6.461 -11.680 687 HE1 TYR 90 HE2 TYR 90 4.075 7.518 -14.143 688 HE2 TYR 90 HE1 TYR 90 0.484 5.246 -13.748 689 HH TYR 90 HH TYR 90 1.808 5.481 -15.741 690 HB2 TYR 90 HB2 TYR 90 2.298 8.664 -9.960 691 HB3 TYR 90 HB3 TYR 90 0.819 7.724 -9.810 692 H SER 91 H SER 91 -1.749 10.748 -10.537 693 HA SER 91 HA SER 91 -1.975 11.010 -7.702 694 HG SER 91 HG SER 91 -2.551 13.208 -8.702 695 HB2 SER 91 HB2 SER 91 -4.152 11.131 -9.807 696 HB3 SER 91 HB3 SER 91 -4.254 11.750 -8.159 697 H VAL 92 H VAL 92 -2.797 9.587 -6.264 698 HA VAL 92 HA VAL 92 -3.399 6.930 -7.320 699 HB VAL 92 HB VAL 92 -3.009 6.118 -5.032 700 HG11 VAL 92 HG11 VAL 92 -1.154 6.173 -6.578 701 HG12 VAL 92 HG12 VAL 92 -0.586 6.582 -4.961 702 HG13 VAL 92 HG13 VAL 92 -0.817 7.853 -6.160 703 HG21 VAL 92 HG21 VAL 92 -2.103 7.604 -3.323 704 HG22 VAL 92 HG22 VAL 92 -3.727 8.102 -3.794 705 HG23 VAL 92 HG23 VAL 92 -2.324 8.987 -4.394 706 H ALA 93 H ALA 93 -4.860 5.716 -5.485 707 HA ALA 93 HA ALA 93 -7.291 7.338 -5.163 708 HB1 ALA 93 HB1 ALA 93 -7.171 4.509 -6.204 709 HB2 ALA 93 HB2 ALA 93 -7.562 5.949 -7.145 710 HB3 ALA 93 HB3 ALA 93 -8.644 5.413 -5.858 711 H ALA 94 H ALA 94 -8.939 5.753 -3.844 712 HA ALA 94 HA ALA 94 -7.512 4.620 -1.580 713 HB1 ALA 94 HB1 ALA 94 -7.742 7.011 -1.065 714 HB2 ALA 94 HB2 ALA 94 -8.696 6.008 0.029 715 HB3 ALA 94 HB3 ALA 94 -9.488 6.882 -1.283 716 H TYR 95 H TYR 95 -8.457 2.809 -1.042 717 HA TYR 95 HA TYR 95 -11.200 2.237 -1.822 718 HD1 TYR 95 HD2 TYR 95 -11.097 -0.189 -3.464 719 HD2 TYR 95 HD1 TYR 95 -7.289 0.701 -1.790 720 HE1 TYR 95 HE2 TYR 95 -10.026 -0.775 -5.603 721 HE2 TYR 95 HE1 TYR 95 -6.210 0.117 -3.916 722 HH TYR 95 HH TYR 95 -7.965 -0.346 -6.820 723 HB2 TYR 95 HB2 TYR 95 -9.192 0.486 -0.379 724 HB3 TYR 95 HB3 TYR 95 -10.748 -0.034 -1.012 725 H ASP 96 H ASP 96 -12.576 1.096 -0.109 726 HA ASP 96 HA ASP 96 -12.393 2.622 2.385 727 HB2 ASP 96 HB2 ASP 96 -14.532 2.706 1.083 728 HB3 ASP 96 HB3 ASP 96 -14.721 0.978 1.363 729 H THR 97 H THR 97 -12.268 1.622 4.358 730 HA THR 97 HA THR 97 -11.679 -1.278 4.320 731 HB THR 97 HB THR 97 -9.870 -0.788 5.982 732 HG1 THR 97 HG1 THR 97 -10.751 1.845 5.462 733 HG21 THR 97 HG21 THR 97 -9.301 -1.120 3.634 734 HG22 THR 97 HG22 THR 97 -8.247 0.092 4.362 735 HG23 THR 97 HG23 THR 97 -9.573 0.594 3.313 736 H GLN 98 H GLN 98 -12.032 -2.377 6.324 737 HA GLN 98 HA GLN 98 -12.928 -0.879 8.625 738 HB2 GLN 98 HB2 GLN 98 -15.007 -2.179 8.916 739 HB3 GLN 98 HB3 GLN 98 -15.048 -1.141 7.503 740 HG2 GLN 98 HG2 GLN 98 -14.667 -3.022 6.050 741 HG3 GLN 98 HG3 GLN 98 -14.435 -4.088 7.433 742 HE21 GLN 98 HE21 GLN 98 -16.877 -1.606 7.384 743 HE22 GLN 98 HE22 GLN 98 -18.233 -2.672 7.298 744 H VAL 99 H VAL 99 -12.524 -1.887 10.496 745 HA VAL 99 HA VAL 99 -11.434 -4.628 10.354 746 HB VAL 99 HB VAL 99 -10.978 -2.582 12.535 747 HG11 VAL 99 HG11 VAL 99 -9.183 -4.106 13.243 748 HG12 VAL 99 HG12 VAL 99 -9.662 -5.239 11.979 749 HG13 VAL 99 HG13 VAL 99 -10.769 -4.874 13.302 750 HG21 VAL 99 HG21 VAL 99 -9.960 -1.810 10.467 751 HG22 VAL 99 HG22 VAL 99 -9.169 -3.370 10.251 752 HG23 VAL 99 HG23 VAL 99 -8.714 -2.332 11.602 753 H THR 100 H THR 100 -13.323 -5.771 10.587 754 HA THR 100 HA THR 100 -15.025 -5.039 12.881 755 HB THR 100 HB THR 100 -16.021 -4.756 10.587 756 HG1 THR 100 HG1 THR 100 -17.915 -5.192 11.441 757 HG21 THR 100 HG21 THR 100 -16.782 -6.763 9.403 758 HG22 THR 100 HG22 THR 100 -15.932 -7.774 10.571 759 HG23 THR 100 HG23 THR 100 -15.022 -6.703 9.504 760 H ASN 101 H ASN 101 -12.848 -7.314 11.879 761 HA ASN 101 HA ASN 101 -13.930 -9.311 13.728 762 HB2 ASN 101 HB2 ASN 101 -13.477 -11.141 12.158 763 HB3 ASN 101 HB3 ASN 101 -14.651 -10.018 11.480 764 HD21 ASN 101 HD21 ASN 101 -12.838 -11.933 10.171 765 HD22 ASN 101 HD22 ASN 101 -11.916 -10.992 9.048 766 H GLY 102 H GLY 102 -11.703 -7.354 13.762 767 HA2 GLY 102 HA2 GLY 102 -9.572 -7.397 14.703 768 HA3 GLY 102 HA3 GLY 102 -9.579 -9.150 14.562 769 H ASN 103 H ASN 103 -10.454 -8.688 11.689 770 HA ASN 103 HA ASN 103 -7.772 -8.248 10.591 771 HB2 ASN 103 HB2 ASN 103 -10.145 -9.752 9.457 772 HB3 ASN 103 HB3 ASN 103 -8.625 -9.499 8.608 773 HD21 ASN 103 HD21 ASN 103 -10.219 -11.204 11.189 774 HD22 ASN 103 HD22 ASN 103 -8.960 -12.353 11.471 775 H VAL 104 H VAL 104 -7.653 -7.103 8.549 776 HA VAL 104 HA VAL 104 -9.582 -4.906 8.501 777 HB VAL 104 HB VAL 104 -6.959 -5.168 7.009 778 HG11 VAL 104 HG11 VAL 104 -7.151 -2.762 6.670 779 HG12 VAL 104 HG12 VAL 104 -8.699 -2.757 7.511 780 HG13 VAL 104 HG13 VAL 104 -8.534 -3.608 5.975 781 HG21 VAL 104 HG21 VAL 104 -6.024 -3.678 8.701 782 HG22 VAL 104 HG22 VAL 104 -6.605 -5.176 9.430 783 HG23 VAL 104 HG23 VAL 104 -7.554 -3.697 9.576 784 H GLN 105 H GLN 105 -11.224 -5.040 7.149 785 HA GLN 105 HA GLN 105 -10.928 -6.587 4.672 786 HB2 GLN 105 HB2 GLN 105 -13.423 -5.540 6.032 787 HB3 GLN 105 HB3 GLN 105 -13.395 -6.493 4.556 788 HG2 GLN 105 HG2 GLN 105 -12.386 -8.356 5.801 789 HG3 GLN 105 HG3 GLN 105 -12.484 -7.400 7.280 790 HE21 GLN 105 HE21 GLN 105 -15.060 -6.228 6.496 791 HE22 GLN 105 HE22 GLN 105 -16.237 -7.471 6.738 792 H ILE 106 H ILE 106 -11.127 -5.646 2.718 793 HA ILE 106 HA ILE 106 -11.601 -2.751 2.638 794 HB ILE 106 HB ILE 106 -10.286 -2.741 0.526 795 HG12 ILE 106 HG12 ILE 106 -8.649 -4.824 0.434 796 HG13 ILE 106 HG13 ILE 106 -10.010 -5.648 1.182 797 HG21 ILE 106 HG21 ILE 106 -8.822 -3.766 2.949 798 HG22 ILE 106 HG22 ILE 106 -9.251 -2.089 2.617 799 HG23 ILE 106 HG23 ILE 106 -8.088 -2.923 1.586 800 HD11 ILE 106 HD11 ILE 106 -11.426 -5.031 -0.701 801 HD12 ILE 106 HD12 ILE 106 -10.006 -5.935 -1.229 802 HD13 ILE 106 HD13 ILE 106 -10.070 -4.185 -1.448 803 H SER 107 H SER 107 -12.903 -1.933 0.961 804 HA SER 107 HA SER 107 -14.846 -3.833 -0.039 805 HG SER 107 HG SER 107 -16.746 -2.873 -0.658 806 HB2 SER 107 HB2 SER 107 -15.439 -1.531 0.879 807 HB3 SER 107 HB3 SER 107 -14.760 -0.864 -0.604 808 H ILE 108 H ILE 108 -14.856 -4.675 -2.005 809 HA ILE 108 HA ILE 108 -12.670 -4.352 -3.764 810 HB ILE 108 HB ILE 108 -15.356 -5.624 -4.313 811 HG12 ILE 108 HG12 ILE 108 -14.182 -6.644 -2.411 812 HG13 ILE 108 HG13 ILE 108 -14.237 -7.737 -3.788 813 HG21 ILE 108 HG21 ILE 108 -14.203 -5.112 -6.382 814 HG22 ILE 108 HG22 ILE 108 -14.166 -6.851 -6.091 815 HG23 ILE 108 HG23 ILE 108 -12.732 -5.874 -5.779 816 HD11 ILE 108 HD11 ILE 108 -11.871 -6.078 -2.936 817 HD12 ILE 108 HD12 ILE 108 -11.923 -7.159 -4.329 818 HD13 ILE 108 HD13 ILE 108 -12.074 -7.815 -2.699 819 H ALA 109 H ALA 109 -12.335 -2.470 -4.723 820 HA ALA 109 HA ALA 109 -14.551 -1.257 -6.232 821 HB1 ALA 109 HB1 ALA 109 -13.730 0.188 -4.420 822 HB2 ALA 109 HB2 ALA 109 -13.424 0.888 -6.010 823 HB3 ALA 109 HB3 ALA 109 -12.110 0.124 -5.115 824 H ASP 110 H ASP 110 -14.059 -0.439 -8.318 825 HA ASP 110 HA ASP 110 -12.257 -2.113 -9.761 826 HB2 ASP 110 HB2 ASP 110 -13.963 0.222 -10.628 827 HB3 ASP 110 HB3 ASP 110 -13.023 -0.773 -11.736 828 H SER 111 H SER 111 -10.465 -1.530 -10.964 829 HA SER 111 HA SER 111 -9.427 1.175 -10.786 830 HG SER 111 HG SER 111 -9.496 0.499 -8.526 831 HB2 SER 111 HB2 SER 111 -7.832 -1.199 -9.773 832 HB3 SER 111 HB3 SER 111 -7.228 0.451 -9.933 833 H ASP 112 H ASP 112 -8.008 -1.997 -11.557 834 HA ASP 112 HA ASP 112 -8.470 -1.962 -14.302 835 HB2 ASP 112 HB2 ASP 112 -6.949 -0.047 -14.404 836 HB3 ASP 112 HB3 ASP 112 -5.706 -0.969 -13.562 837 H VAL 113 H VAL 113 -8.706 -4.099 -14.332 838 HA VAL 113 HA VAL 113 -6.762 -5.832 -13.066 839 HB VAL 113 HB VAL 113 -9.004 -6.667 -14.895 840 HG11 VAL 113 HG11 VAL 113 -7.344 -8.383 -14.491 841 HG12 VAL 113 HG12 VAL 113 -8.846 -8.788 -13.662 842 HG13 VAL 113 HG13 VAL 113 -7.485 -8.137 -12.750 843 HG21 VAL 113 HG21 VAL 113 -9.072 -6.269 -11.907 844 HG22 VAL 113 HG22 VAL 113 -10.341 -7.044 -12.856 845 HG23 VAL 113 HG23 VAL 113 -9.967 -5.337 -13.109 846 H ALA 114 H ALA 114 -4.956 -6.365 -14.032 847 HA ALA 114 HA ALA 114 -4.797 -6.208 -16.971 848 HB1 ALA 114 HB1 ALA 114 -2.667 -5.442 -14.970 849 HB2 ALA 114 HB2 ALA 114 -3.647 -4.322 -15.914 850 HB3 ALA 114 HB3 ALA 114 -2.504 -5.390 -16.725 851 H VAL 115 H VAL 115 -2.471 -7.293 -17.561 852 HA VAL 115 HA VAL 115 -2.616 -10.027 -16.841 853 HB VAL 115 HB VAL 115 -1.645 -9.528 -18.945 854 HG11 VAL 115 HG11 VAL 115 -0.854 -7.271 -18.516 855 HG12 VAL 115 HG12 VAL 115 0.429 -8.249 -19.229 856 HG13 VAL 115 HG13 VAL 115 0.441 -7.903 -17.500 857 HG21 VAL 115 HG21 VAL 115 -0.702 -11.467 -17.839 858 HG22 VAL 115 HG22 VAL 115 0.526 -10.457 -17.074 859 HG23 VAL 115 HG23 VAL 115 0.525 -10.670 -18.825 860 H ASP 116 H ASP 116 -2.245 -10.727 -14.905 861 HA ASP 116 HA ASP 116 -0.531 -9.160 -13.129 862 HB2 ASP 116 HB2 ASP 116 -1.711 -10.216 -11.292 863 HB3 ASP 116 HB3 ASP 116 -2.879 -9.571 -12.439 864 H ASN 117 H ASN 117 0.848 -10.178 -11.639 865 HA ASN 117 HA ASN 117 1.555 -12.958 -12.215 866 HB2 ASN 117 HB2 ASN 117 3.945 -12.355 -11.609 867 HB3 ASN 117 HB3 ASN 117 3.385 -11.761 -13.164 868 HD21 ASN 117 HD21 ASN 117 4.414 -10.901 -9.972 869 HD22 ASN 117 HD22 ASN 117 4.540 -9.198 -10.248 870 H SER 118 H SER 118 0.786 -14.005 -10.540 871 HA SER 118 HA SER 118 0.182 -12.789 -8.072 872 HG SER 118 HG SER 118 0.394 -15.712 -10.059 873 HB2 SER 118 HB2 SER 118 -0.226 -15.190 -7.329 874 HB3 SER 118 HB3 SER 118 -1.138 -14.648 -8.740 875 H GLN 119 H GLN 119 2.704 -15.141 -8.929 876 HA GLN 119 HA GLN 119 4.660 -15.728 -7.961 877 HB2 GLN 119 HB2 GLN 119 4.396 -12.913 -7.292 878 HB3 GLN 119 HB3 GLN 119 5.288 -13.795 -6.060 879 HG2 GLN 119 HG2 GLN 119 6.708 -14.713 -7.941 880 HG3 GLN 119 HG3 GLN 119 5.941 -13.504 -8.974 881 HE21 GLN 119 HE21 GLN 119 8.044 -14.045 -6.262 882 HE22 GLN 119 HE22 GLN 119 8.740 -12.459 -6.220 883 HA PRO 120 HA PRO 120 2.849 -17.733 -4.334 884 HB2 PRO 120 HB2 PRO 120 5.233 -19.440 -4.720 885 HB3 PRO 120 HB3 PRO 120 3.529 -19.899 -4.610 886 HG2 PRO 120 HG2 PRO 120 4.841 -19.991 -6.940 887 HG3 PRO 120 HG3 PRO 120 3.141 -19.498 -6.855 888 HD2 PRO 120 HD2 PRO 120 5.595 -17.804 -7.142 889 HD3 PRO 120 HD3 PRO 120 4.018 -17.650 -7.948 890 H LEU 121 H LEU 121 3.278 -16.382 -2.661 891 HA LEU 121 HA LEU 121 6.003 -15.622 -2.041 892 HG LEU 121 HG LEU 121 3.507 -13.928 -2.925 893 HB2 LEU 121 HB2 LEU 121 3.400 -14.924 -0.676 894 HB3 LEU 121 HB3 LEU 121 4.960 -14.224 -0.293 895 HD11 LEU 121 HD11 LEU 121 2.430 -12.698 -1.124 896 HD12 LEU 121 HD12 LEU 121 3.237 -11.593 -2.234 897 HD13 LEU 121 HD13 LEU 121 3.973 -11.972 -0.678 898 HD21 LEU 121 HD21 LEU 121 5.937 -13.914 -3.190 899 HD22 LEU 121 HD22 LEU 121 6.068 -12.677 -1.940 900 HD23 LEU 121 HD23 LEU 121 5.256 -12.310 -3.462 901 HA PRO 122 HA PRO 122 6.577 -18.814 1.027 902 HB2 PRO 122 HB2 PRO 122 8.668 -17.595 2.317 903 HB3 PRO 122 HB3 PRO 122 8.844 -18.544 0.839 904 HG2 PRO 122 HG2 PRO 122 8.701 -15.579 1.183 905 HG3 PRO 122 HG3 PRO 122 9.724 -16.535 0.094 906 HD2 PRO 122 HD2 PRO 122 7.502 -15.256 -0.757 907 HD3 PRO 122 HD3 PRO 122 8.042 -16.793 -1.460 908 H LEU 123 H LEU 123 4.865 -18.729 2.399 909 HA LEU 123 HA LEU 123 4.204 -16.441 3.929 910 HG LEU 123 HG LEU 123 3.787 -19.908 3.009 911 HB2 LEU 123 HB2 LEU 123 2.717 -18.133 5.178 912 HB3 LEU 123 HB3 LEU 123 2.375 -17.778 3.499 913 HD11 LEU 123 HD11 LEU 123 3.632 -21.615 4.753 914 HD12 LEU 123 HD12 LEU 123 3.007 -20.404 5.876 915 HD13 LEU 123 HD13 LEU 123 4.648 -20.260 5.246 916 HD21 LEU 123 HD21 LEU 123 1.773 -21.281 3.191 917 HD22 LEU 123 HD22 LEU 123 1.412 -19.679 2.551 918 HD23 LEU 123 HD23 LEU 123 1.038 -20.062 4.231 919 H GLU 124 H GLU 124 4.703 -15.846 5.927 920 HA GLU 124 HA GLU 124 6.848 -17.314 7.246 921 HB2 GLU 124 HB2 GLU 124 5.731 -14.542 7.707 922 HB3 GLU 124 HB3 GLU 124 7.041 -15.250 8.644 923 HG2 GLU 124 HG2 GLU 124 8.328 -15.494 6.519 924 HG3 GLU 124 HG3 GLU 124 7.049 -14.593 5.708 925 H HIS 125 H HIS 125 6.519 -16.586 9.868 926 HA HIS 125 HA HIS 125 4.039 -18.031 10.537 927 HD1 HIS 125 HD1 HIS 125 4.366 -20.915 11.095 928 HD2 HIS 125 HD2 HIS 125 8.156 -19.485 10.137 929 HE1 HIS 125 HE1 HIS 125 5.438 -22.711 9.703 930 HE2 HIS 125 HE2 HIS 125 7.788 -21.901 9.284 931 HB2 HIS 125 HB2 HIS 125 6.698 -18.072 11.982 932 HB3 HIS 125 HB3 HIS 125 5.234 -18.862 12.554 933 H HIS 126 H HIS 126 2.603 -16.983 11.703 934 HA HIS 126 HA HIS 126 3.474 -14.651 13.284 935 HD1 HIS 126 HD1 HIS 126 1.164 -11.877 12.227 936 HD2 HIS 126 HD2 HIS 126 0.243 -14.570 15.265 937 HE1 HIS 126 HE1 HIS 126 0.159 -10.504 14.077 938 HE2 HIS 126 HE2 HIS 126 -0.177 -12.124 15.983 939 HB2 HIS 126 HB2 HIS 126 1.709 -14.207 11.587 940 HB3 HIS 126 HB3 HIS 126 0.676 -15.400 12.367 941 H HIS 127 H HIS 127 3.977 -15.354 15.275 942 HA HIS 127 HA HIS 127 2.894 -17.685 16.455 943 HD1 HIS 127 HD1 HIS 127 4.225 -15.453 20.234 944 HD2 HIS 127 HD2 HIS 127 4.617 -13.677 16.489 945 HE1 HIS 127 HE1 HIS 127 4.491 -12.991 20.672 946 HE2 HIS 127 HE2 HIS 127 4.811 -11.944 18.400 947 HB2 HIS 127 HB2 HIS 127 4.136 -17.116 18.422 948 HB3 HIS 127 HB3 HIS 127 5.115 -16.654 17.040 949 H HIS 128 H HIS 128 1.241 -17.992 17.898 950 HA HIS 128 HA HIS 128 -0.863 -16.096 17.810 951 HD1 HIS 128 HD1 HIS 128 0.150 -20.403 18.472 952 HD2 HIS 128 HD2 HIS 128 -0.779 -18.124 21.828 953 HE1 HIS 128 HE1 HIS 128 1.014 -21.703 20.437 954 HE2 HIS 128 HE2 HIS 128 0.215 -20.430 22.456 955 HB2 HIS 128 HB2 HIS 128 -2.087 -17.614 19.313 956 HB3 HIS 128 HB3 HIS 128 -1.381 -18.468 17.952 957 H HIS 129 H HIS 129 -1.492 -14.555 19.202 958 HA HIS 129 HA HIS 129 0.510 -13.567 20.964 959 HD1 HIS 129 HD1 HIS 129 0.824 -10.594 20.383 960 HD2 HIS 129 HD2 HIS 129 -2.186 -11.212 23.193 961 HE1 HIS 129 HE1 HIS 129 1.169 -8.834 22.146 962 HE2 HIS 129 HE2 HIS 129 -0.759 -9.119 23.740 963 HB2 HIS 129 HB2 HIS 129 -1.090 -12.169 19.587 964 HB3 HIS 129 HB3 HIS 129 -2.337 -12.584 20.759 965 H HIS 130 H HIS 130 0.810 -13.954 23.019 966 HA HIS 130 HA HIS 130 -1.082 -15.579 24.500 967 HD1 HIS 130 HD1 HIS 130 1.025 -17.816 26.388 968 HD2 HIS 130 HD2 HIS 130 2.208 -16.174 22.753 969 HE1 HIS 130 HE1 HIS 130 2.037 -19.715 25.081 970 HE2 HIS 130 HE2 HIS 130 2.849 -18.675 22.933 971 HB2 HIS 130 HB2 HIS 130 1.664 -14.501 25.146 972 HB3 HIS 130 HB3 HIS 130 0.686 -15.367 26.325 Start of MODEL 18 1 HA MET 1 HA MET 1 -19.053 -6.950 5.082 2 H1 MET 1 H1 MET 1 -21.245 -7.897 6.834 3 H2 MET 1 H2 MET 1 -21.258 -6.465 5.929 4 H3 MET 1 H3 MET 1 -20.136 -6.659 7.189 5 HB2 MET 1 HB2 MET 1 -18.237 -8.283 6.946 6 HB3 MET 1 HB3 MET 1 -19.445 -9.522 6.631 7 HG2 MET 1 HG2 MET 1 -18.383 -9.940 4.438 8 HG3 MET 1 HG3 MET 1 -17.131 -8.773 4.860 9 HE1 MET 1 HE1 MET 1 -15.312 -12.255 5.108 10 HE2 MET 1 HE2 MET 1 -15.331 -10.676 4.320 11 HE3 MET 1 HE3 MET 1 -16.610 -11.845 3.986 12 H SER 2 H SER 2 -19.857 -6.910 3.080 13 HA SER 2 HA SER 2 -21.177 -9.344 2.102 14 HG SER 2 HG SER 2 -22.757 -5.692 2.015 15 HB2 SER 2 HB2 SER 2 -22.546 -7.802 0.601 16 HB3 SER 2 HB3 SER 2 -22.973 -7.786 2.314 17 H GLN 3 H GLN 3 -20.249 -6.259 0.606 18 HA GLN 3 HA GLN 3 -18.683 -7.679 -1.401 19 HB2 GLN 3 HB2 GLN 3 -19.289 -4.730 -1.111 20 HB3 GLN 3 HB3 GLN 3 -18.481 -5.476 -2.480 21 HG2 GLN 3 HG2 GLN 3 -20.516 -6.781 -2.945 22 HG3 GLN 3 HG3 GLN 3 -21.324 -5.954 -1.612 23 HE21 GLN 3 HE21 GLN 3 -22.882 -5.051 -2.962 24 HE22 GLN 3 HE22 GLN 3 -22.514 -3.765 -4.065 25 H TRP 4 H TRP 4 -17.893 -7.390 1.461 26 HA TRP 4 HA TRP 4 -15.444 -5.791 1.244 27 HD1 TRP 4 HD1 TRP 4 -19.184 -6.057 3.201 28 HE1 TRP 4 HE1 TRP 4 -20.185 -3.686 3.350 29 HE3 TRP 4 HE3 TRP 4 -14.843 -3.380 3.344 30 HZ2 TRP 4 HZ2 TRP 4 -19.239 -1.033 3.512 31 HZ3 TRP 4 HZ3 TRP 4 -14.976 -0.930 3.501 32 HH2 TRP 4 HH2 TRP 4 -17.131 0.217 3.582 33 HB2 TRP 4 HB2 TRP 4 -16.719 -6.990 3.715 34 HB3 TRP 4 HB3 TRP 4 -15.391 -5.837 3.674 35 H THR 5 H THR 5 -13.650 -6.880 0.774 36 HA THR 5 HA THR 5 -13.610 -9.773 1.238 37 HB THR 5 HB THR 5 -11.800 -8.071 -0.486 38 HG1 THR 5 HG1 THR 5 -14.154 -9.568 -0.973 39 HG21 THR 5 HG21 THR 5 -12.052 -11.075 -0.271 40 HG22 THR 5 HG22 THR 5 -10.688 -10.107 0.292 41 HG23 THR 5 HG23 THR 5 -11.048 -10.207 -1.433 42 H THR 6 H THR 6 -12.299 -10.706 2.638 43 HA THR 6 HA THR 6 -10.906 -9.225 4.597 44 HB THR 6 HB THR 6 -10.513 -12.158 4.005 45 HG1 THR 6 HG1 THR 6 -12.647 -11.014 5.535 46 HG21 THR 6 HG21 THR 6 -9.093 -11.261 5.750 47 HG22 THR 6 HG22 THR 6 -10.325 -12.299 6.467 48 HG23 THR 6 HG23 THR 6 -10.487 -10.546 6.557 49 H VAL 7 H VAL 7 -8.949 -8.290 4.381 50 HA VAL 7 HA VAL 7 -7.110 -9.310 2.352 51 HB VAL 7 HB VAL 7 -6.811 -6.825 4.047 52 HG11 VAL 7 HG11 VAL 7 -4.710 -7.648 3.141 53 HG12 VAL 7 HG12 VAL 7 -5.184 -6.146 2.348 54 HG13 VAL 7 HG13 VAL 7 -5.408 -7.690 1.522 55 HG21 VAL 7 HG21 VAL 7 -8.814 -6.647 2.691 56 HG22 VAL 7 HG22 VAL 7 -7.907 -7.115 1.252 57 HG23 VAL 7 HG23 VAL 7 -7.554 -5.587 2.058 58 H CYS 8 H CYS 8 -6.256 -7.780 5.419 59 HA CYS 8 HA CYS 8 -4.975 -10.237 6.341 60 HG CYS 8 HG CYS 8 -1.547 -9.148 4.490 61 HB2 CYS 8 HB2 CYS 8 -3.503 -7.604 6.049 62 HB3 CYS 8 HB3 CYS 8 -2.859 -9.056 6.809 63 H LYS 9 H LYS 9 -4.314 -10.090 8.632 64 HA LYS 9 HA LYS 9 -6.255 -8.813 10.243 65 HB2 LYS 9 HB2 LYS 9 -3.543 -9.801 11.141 66 HB3 LYS 9 HB3 LYS 9 -4.956 -9.542 12.147 67 HG2 LYS 9 HG2 LYS 9 -6.101 -11.376 11.028 68 HG3 LYS 9 HG3 LYS 9 -4.684 -11.633 10.002 69 HD2 LYS 9 HD2 LYS 9 -3.340 -12.011 12.054 70 HD3 LYS 9 HD3 LYS 9 -4.821 -11.893 13.003 71 HE2 LYS 9 HE2 LYS 9 -5.742 -13.809 11.794 72 HE3 LYS 9 HE3 LYS 9 -4.260 -13.925 10.848 73 HZ1 LYS 9 HZ1 LYS 9 -4.184 -15.501 12.630 74 HZ2 LYS 9 HZ2 LYS 9 -4.530 -14.304 13.780 75 HZ3 LYS 9 HZ3 LYS 9 -3.052 -14.279 12.952 76 H LEU 10 H LEU 10 -6.150 -6.962 11.495 77 HA LEU 10 HA LEU 10 -4.445 -4.853 10.687 78 HG LEU 10 HG LEU 10 -4.840 -2.736 11.920 79 HB2 LEU 10 HB2 LEU 10 -6.709 -4.596 11.698 80 HB3 LEU 10 HB3 LEU 10 -6.058 -5.128 13.233 81 HD11 LEU 10 HD11 LEU 10 -7.253 -2.366 11.765 82 HD12 LEU 10 HD12 LEU 10 -6.508 -1.295 12.950 83 HD13 LEU 10 HD13 LEU 10 -7.415 -2.708 13.487 84 HD21 LEU 10 HD21 LEU 10 -3.864 -3.653 13.971 85 HD22 LEU 10 HD22 LEU 10 -5.416 -3.469 14.790 86 HD23 LEU 10 HD23 LEU 10 -4.535 -2.043 14.238 87 H ASP 11 H ASP 11 -4.187 -7.359 13.025 88 HA ASP 11 HA ASP 11 -2.024 -6.121 14.508 89 HB2 ASP 11 HB2 ASP 11 -3.587 -7.344 15.834 90 HB3 ASP 11 HB3 ASP 11 -3.494 -8.745 14.775 91 H ASP 12 H ASP 12 -2.504 -8.372 11.955 92 HA ASP 12 HA ASP 12 0.001 -9.737 12.147 93 HB2 ASP 12 HB2 ASP 12 -2.043 -10.657 11.025 94 HB3 ASP 12 HB3 ASP 12 -1.834 -9.462 9.753 95 H ILE 13 H ILE 13 -1.000 -6.704 11.042 96 HA ILE 13 HA ILE 13 1.352 -6.339 9.340 97 HB ILE 13 HB ILE 13 -0.928 -4.435 9.921 98 HG12 ILE 13 HG12 ILE 13 -0.375 -6.118 7.469 99 HG13 ILE 13 HG13 ILE 13 -1.569 -6.511 8.701 100 HG21 ILE 13 HG21 ILE 13 -0.076 -3.181 7.980 101 HG22 ILE 13 HG22 ILE 13 1.297 -4.285 7.884 102 HG23 ILE 13 HG23 ILE 13 1.097 -3.246 9.295 103 HD11 ILE 13 HD11 ILE 13 -1.588 -4.085 6.924 104 HD12 ILE 13 HD12 ILE 13 -2.779 -4.458 8.169 105 HD13 ILE 13 HD13 ILE 13 -2.610 -5.510 6.764 106 H LEU 14 H LEU 14 3.085 -5.123 9.945 107 HA LEU 14 HA LEU 14 3.436 -4.737 12.747 108 HG LEU 14 HG LEU 14 4.932 -6.450 10.548 109 HB2 LEU 14 HB2 LEU 14 5.226 -4.036 10.422 110 HB3 LEU 14 HB3 LEU 14 5.700 -3.985 12.108 111 HD11 LEU 14 HD11 LEU 14 7.566 -5.571 11.722 112 HD12 LEU 14 HD12 LEU 14 7.146 -5.575 10.008 113 HD13 LEU 14 HD13 LEU 14 7.254 -7.097 10.893 114 HD21 LEU 14 HD21 LEU 14 4.158 -6.578 12.862 115 HD22 LEU 14 HD22 LEU 14 5.780 -6.173 13.429 116 HD23 LEU 14 HD23 LEU 14 5.498 -7.687 12.568 117 HA PRO 15 HA PRO 15 2.446 -0.430 13.163 118 HB2 PRO 15 HB2 PRO 15 4.253 0.272 15.091 119 HB3 PRO 15 HB3 PRO 15 2.763 -0.617 15.426 120 HG2 PRO 15 HG2 PRO 15 5.551 -1.645 15.096 121 HG3 PRO 15 HG3 PRO 15 4.319 -2.110 16.284 122 HD2 PRO 15 HD2 PRO 15 4.840 -3.609 14.109 123 HD3 PRO 15 HD3 PRO 15 3.206 -3.473 14.790 124 H GLY 16 H GLY 16 2.964 1.093 11.773 125 HA2 GLY 16 HA2 GLY 16 4.278 2.776 10.843 126 HA3 GLY 16 HA3 GLY 16 5.701 2.024 11.547 127 H THR 17 H THR 17 3.302 0.380 9.499 128 HA THR 17 HA THR 17 5.324 0.291 7.367 129 HB THR 17 HB THR 17 5.011 -2.114 7.009 130 HG1 THR 17 HG1 THR 17 3.533 -2.082 9.451 131 HG21 THR 17 HG21 THR 17 5.849 -1.477 9.838 132 HG22 THR 17 HG22 THR 17 6.878 -1.396 8.409 133 HG23 THR 17 HG23 THR 17 6.245 -2.950 8.953 134 H GLY 18 H GLY 18 4.276 -1.068 5.455 135 HA2 GLY 18 HA2 GLY 18 1.479 -0.972 5.093 136 HA3 GLY 18 HA3 GLY 18 2.214 0.457 4.381 137 H VAL 19 H VAL 19 1.552 -2.869 3.985 138 HA VAL 19 HA VAL 19 3.351 -2.963 1.664 139 HB VAL 19 HB VAL 19 3.433 -5.426 1.938 140 HG11 VAL 19 HG11 VAL 19 4.345 -3.849 4.340 141 HG12 VAL 19 HG12 VAL 19 5.223 -4.034 2.821 142 HG13 VAL 19 HG13 VAL 19 4.949 -5.435 3.858 143 HG21 VAL 19 HG21 VAL 19 2.698 -6.435 4.039 144 HG22 VAL 19 HG22 VAL 19 1.339 -5.721 3.172 145 HG23 VAL 19 HG23 VAL 19 2.035 -4.885 4.557 146 H CYS 20 H CYS 20 2.683 -3.994 -0.232 147 HA CYS 20 HA CYS 20 -0.124 -3.791 -0.758 148 HG CYS 20 HG CYS 20 2.775 -6.058 -3.172 149 HB2 CYS 20 HB2 CYS 20 0.615 -4.604 -3.046 150 HB3 CYS 20 HB3 CYS 20 1.346 -3.100 -2.488 151 H ALA 21 H ALA 21 -1.593 -5.344 -0.606 152 HA ALA 21 HA ALA 21 -0.702 -8.151 -0.721 153 HB1 ALA 21 HB1 ALA 21 -3.253 -7.025 0.437 154 HB2 ALA 21 HB2 ALA 21 -1.847 -7.540 1.368 155 HB3 ALA 21 HB3 ALA 21 -2.771 -8.721 0.440 156 H LEU 22 H LEU 22 -1.560 -9.476 -2.284 157 HA LEU 22 HA LEU 22 -2.891 -8.128 -4.480 158 HG LEU 22 HG LEU 22 -1.619 -10.730 -6.768 159 HB2 LEU 22 HB2 LEU 22 -0.979 -9.816 -4.698 160 HB3 LEU 22 HB3 LEU 22 -2.159 -11.051 -4.316 161 HD11 LEU 22 HD11 LEU 22 -3.946 -10.962 -7.510 162 HD12 LEU 22 HD12 LEU 22 -4.495 -10.437 -5.917 163 HD13 LEU 22 HD13 LEU 22 -3.600 -11.946 -6.088 164 HD21 LEU 22 HD21 LEU 22 -2.747 -8.889 -7.922 165 HD22 LEU 22 HD22 LEU 22 -1.521 -8.305 -6.796 166 HD23 LEU 22 HD23 LEU 22 -3.228 -8.213 -6.365 167 H VAL 23 H VAL 23 -5.005 -7.825 -4.265 168 HA VAL 23 HA VAL 23 -6.622 -10.058 -3.225 169 HB VAL 23 HB VAL 23 -7.401 -7.137 -3.332 170 HG11 VAL 23 HG11 VAL 23 -9.265 -7.805 -1.918 171 HG12 VAL 23 HG12 VAL 23 -8.721 -9.481 -1.971 172 HG13 VAL 23 HG13 VAL 23 -9.290 -8.692 -3.442 173 HG21 VAL 23 HG21 VAL 23 -7.103 -7.156 -0.893 174 HG22 VAL 23 HG22 VAL 23 -5.591 -7.470 -1.743 175 HG23 VAL 23 HG23 VAL 23 -6.471 -8.798 -0.992 176 H GLU 24 H GLU 24 -6.864 -11.147 -5.115 177 HA GLU 24 HA GLU 24 -7.880 -11.804 -7.002 178 HB2 GLU 24 HB2 GLU 24 -9.654 -9.614 -6.105 179 HB3 GLU 24 HB3 GLU 24 -9.830 -10.143 -7.775 180 HG2 GLU 24 HG2 GLU 24 -9.995 -11.902 -5.340 181 HG3 GLU 24 HG3 GLU 24 -11.355 -11.337 -6.313 182 H GLN 25 H GLN 25 -8.078 -8.276 -7.490 183 HA GLN 25 HA GLN 25 -6.377 -8.604 -9.845 184 HB2 GLN 25 HB2 GLN 25 -8.065 -7.047 -11.054 185 HB3 GLN 25 HB3 GLN 25 -8.396 -8.765 -10.944 186 HG2 GLN 25 HG2 GLN 25 -10.421 -7.613 -10.529 187 HG3 GLN 25 HG3 GLN 25 -9.878 -8.291 -8.999 188 HE21 GLN 25 HE21 GLN 25 -9.368 -6.929 -7.328 189 HE22 GLN 25 HE22 GLN 25 -9.634 -5.224 -7.380 190 H GLN 26 H GLN 26 -6.526 -7.125 -7.076 191 HA GLN 26 HA GLN 26 -5.247 -4.717 -8.102 192 HB2 GLN 26 HB2 GLN 26 -7.728 -4.821 -6.483 193 HB3 GLN 26 HB3 GLN 26 -6.540 -3.605 -6.037 194 HG2 GLN 26 HG2 GLN 26 -7.528 -3.930 -8.850 195 HG3 GLN 26 HG3 GLN 26 -8.353 -2.911 -7.670 196 HE21 GLN 26 HE21 GLN 26 -7.441 -0.987 -7.054 197 HE22 GLN 26 HE22 GLN 26 -6.065 -0.288 -7.852 198 H GLN 27 H GLN 27 -3.615 -3.938 -6.851 199 HA GLN 27 HA GLN 27 -2.859 -5.518 -4.510 200 HB2 GLN 27 HB2 GLN 27 -1.343 -3.363 -6.001 201 HB3 GLN 27 HB3 GLN 27 -0.722 -4.274 -4.634 202 HG2 GLN 27 HG2 GLN 27 -0.905 -6.338 -5.957 203 HG3 GLN 27 HG3 GLN 27 -1.455 -5.382 -7.334 204 HE21 GLN 27 HE21 GLN 27 1.235 -6.204 -5.305 205 HE22 GLN 27 HE22 GLN 27 2.466 -5.504 -6.300 206 H ILE 28 H ILE 28 -3.427 -4.811 -2.563 207 HA ILE 28 HA ILE 28 -3.955 -1.926 -2.235 208 HB ILE 28 HB ILE 28 -5.102 -4.296 -0.743 209 HG12 ILE 28 HG12 ILE 28 -7.273 -3.064 -1.438 210 HG13 ILE 28 HG13 ILE 28 -6.250 -2.213 -2.587 211 HG21 ILE 28 HG21 ILE 28 -4.589 -2.575 0.872 212 HG22 ILE 28 HG22 ILE 28 -6.332 -2.670 0.629 213 HG23 ILE 28 HG23 ILE 28 -5.409 -1.366 -0.116 214 HD11 ILE 28 HD11 ILE 28 -6.693 -5.184 -2.460 215 HD12 ILE 28 HD12 ILE 28 -5.619 -4.357 -3.589 216 HD13 ILE 28 HD13 ILE 28 -7.357 -4.066 -3.653 217 H ALA 29 H ALA 29 -2.516 -0.853 -1.117 218 HA ALA 29 HA ALA 29 -0.628 -2.257 0.611 219 HB1 ALA 29 HB1 ALA 29 0.285 -0.626 -0.954 220 HB2 ALA 29 HB2 ALA 29 0.546 -0.102 0.709 221 HB3 ALA 29 HB3 ALA 29 -0.733 0.632 -0.255 222 H VAL 30 H VAL 30 -0.879 -2.325 2.755 223 HA VAL 30 HA VAL 30 -3.042 -0.647 3.872 224 HB VAL 30 HB VAL 30 -1.988 -3.200 5.083 225 HG11 VAL 30 HG11 VAL 30 -3.150 -1.703 6.617 226 HG12 VAL 30 HG12 VAL 30 -4.097 -3.159 6.321 227 HG13 VAL 30 HG13 VAL 30 -4.536 -1.647 5.527 228 HG21 VAL 30 HG21 VAL 30 -4.367 -2.848 3.259 229 HG22 VAL 30 HG22 VAL 30 -3.965 -4.320 4.147 230 HG23 VAL 30 HG23 VAL 30 -2.885 -3.729 2.884 231 H PHE 31 H PHE 31 -2.204 1.069 4.783 232 HA PHE 31 HA PHE 31 0.353 1.109 6.091 233 HD1 PHE 31 HD2 PHE 31 -1.959 2.679 3.515 234 HD2 PHE 31 HD1 PHE 31 1.461 4.199 5.538 235 HE1 PHE 31 HE2 PHE 31 -1.077 3.520 1.381 236 HE2 PHE 31 HE1 PHE 31 2.349 5.046 3.409 237 HZ PHE 31 HZ PHE 31 1.083 4.709 1.329 238 HB2 PHE 31 HB2 PHE 31 -1.900 3.127 5.997 239 HB3 PHE 31 HB3 PHE 31 -0.348 3.423 6.765 240 H ARG 32 H ARG 32 0.774 0.771 8.207 241 HA ARG 32 HA ARG 32 -1.419 1.268 10.092 242 HE ARG 32 HE ARG 32 -1.892 -1.355 14.197 243 HB2 ARG 32 HB2 ARG 32 -0.842 -1.186 9.961 244 HB3 ARG 32 HB3 ARG 32 0.754 -0.771 10.577 245 HG2 ARG 32 HG2 ARG 32 -0.268 0.126 12.614 246 HG3 ARG 32 HG3 ARG 32 -1.864 -0.294 11.998 247 HD2 ARG 32 HD2 ARG 32 -1.184 -2.666 11.939 248 HD3 ARG 32 HD3 ARG 32 0.372 -2.217 12.635 249 HH11 ARG 32 HH11 ARG 32 0.303 -4.011 13.568 250 HH12 ARG 32 HH12 ARG 32 0.083 -4.733 15.137 251 HH21 ARG 32 HH21 ARG 32 -2.218 -2.343 16.260 252 HH22 ARG 32 HH22 ARG 32 -1.338 -3.783 16.651 253 HA PRO 33 HA PRO 33 2.161 4.180 10.538 254 HB2 PRO 33 HB2 PRO 33 0.005 6.034 11.331 255 HB3 PRO 33 HB3 PRO 33 1.269 6.234 10.113 256 HG2 PRO 33 HG2 PRO 33 -1.285 5.835 9.417 257 HG3 PRO 33 HG3 PRO 33 0.052 5.139 8.481 258 HD2 PRO 33 HD2 PRO 33 -1.744 3.827 10.491 259 HD3 PRO 33 HD3 PRO 33 -1.159 3.207 8.930 260 H ARG 34 H ARG 34 -0.629 3.771 12.636 261 HA ARG 34 HA ARG 34 1.097 4.218 14.979 262 HE ARG 34 HE ARG 34 -2.300 5.729 17.017 263 HB2 ARG 34 HB2 ARG 34 -1.863 4.588 14.552 264 HB3 ARG 34 HB3 ARG 34 -1.175 4.456 16.163 265 HG2 ARG 34 HG2 ARG 34 0.077 6.450 15.886 266 HG3 ARG 34 HG3 ARG 34 -0.288 6.509 14.159 267 HD2 ARG 34 HD2 ARG 34 -1.616 8.051 15.714 268 HD3 ARG 34 HD3 ARG 34 -2.516 7.104 14.529 269 HH11 ARG 34 HH11 ARG 34 -3.993 8.383 15.482 270 HH12 ARG 34 HH12 ARG 34 -5.450 8.158 16.409 271 HH21 ARG 34 HH21 ARG 34 -4.190 5.433 18.234 272 HH22 ARG 34 HH22 ARG 34 -5.553 6.486 17.991 273 H ASN 35 H ASN 35 1.009 2.701 16.676 274 HA ASN 35 HA ASN 35 0.184 0.043 15.896 275 HB2 ASN 35 HB2 ASN 35 2.287 0.522 17.197 276 HB3 ASN 35 HB3 ASN 35 1.273 0.957 18.569 277 HD21 ASN 35 HD21 ASN 35 0.397 -0.621 19.806 278 HD22 ASN 35 HD22 ASN 35 0.685 -2.316 19.561 279 H ASP 36 H ASP 36 -1.990 1.299 15.705 280 HA ASP 36 HA ASP 36 -3.616 0.499 18.010 281 HB2 ASP 36 HB2 ASP 36 -3.915 3.110 16.491 282 HB3 ASP 36 HB3 ASP 36 -5.074 2.491 17.657 283 H GLU 37 H GLU 37 -6.068 0.825 17.117 284 HA GLU 37 HA GLU 37 -6.242 -0.840 14.764 285 HB2 GLU 37 HB2 GLU 37 -8.341 0.360 16.580 286 HB3 GLU 37 HB3 GLU 37 -8.701 -0.713 15.234 287 HG2 GLU 37 HG2 GLU 37 -7.565 -2.522 16.254 288 HG3 GLU 37 HG3 GLU 37 -6.872 -1.473 17.488 289 H GLN 38 H GLN 38 -5.027 1.412 14.047 290 HA GLN 38 HA GLN 38 -7.035 2.847 12.443 291 HB2 GLN 38 HB2 GLN 38 -6.113 4.252 14.299 292 HB3 GLN 38 HB3 GLN 38 -4.508 4.031 13.619 293 HG2 GLN 38 HG2 GLN 38 -5.411 6.183 12.996 294 HG3 GLN 38 HG3 GLN 38 -5.217 5.159 11.574 295 HE21 GLN 38 HE21 GLN 38 -6.726 6.425 10.438 296 HE22 GLN 38 HE22 GLN 38 -8.422 6.287 10.740 297 H VAL 39 H VAL 39 -6.731 1.828 10.530 298 HA VAL 39 HA VAL 39 -3.995 1.740 9.444 299 HB VAL 39 HB VAL 39 -4.648 -0.308 8.191 300 HG11 VAL 39 HG11 VAL 39 -4.795 -0.482 11.197 301 HG12 VAL 39 HG12 VAL 39 -3.334 -0.519 10.210 302 HG13 VAL 39 HG13 VAL 39 -4.494 -1.846 10.119 303 HG21 VAL 39 HG21 VAL 39 -7.078 0.010 8.268 304 HG22 VAL 39 HG22 VAL 39 -7.057 -0.287 10.007 305 HG23 VAL 39 HG23 VAL 39 -6.608 -1.574 8.886 306 H TYR 40 H TYR 40 -3.908 1.685 7.080 307 HA TYR 40 HA TYR 40 -6.231 2.925 5.776 308 HD1 TYR 40 HD1 TYR 40 -6.536 5.764 5.610 309 HD2 TYR 40 HD2 TYR 40 -3.049 4.685 7.787 310 HE1 TYR 40 HE1 TYR 40 -7.090 7.439 7.320 311 HE2 TYR 40 HE2 TYR 40 -3.593 6.358 9.504 312 HH TYR 40 HH TYR 40 -4.892 8.405 9.741 313 HB2 TYR 40 HB2 TYR 40 -3.365 3.880 5.576 314 HB3 TYR 40 HB3 TYR 40 -4.685 4.460 4.567 315 H ALA 41 H ALA 41 -6.791 1.294 4.439 316 HA ALA 41 HA ALA 41 -4.659 -0.044 2.925 317 HB1 ALA 41 HB1 ALA 41 -6.228 -1.853 2.553 318 HB2 ALA 41 HB2 ALA 41 -7.506 -0.942 3.355 319 HB3 ALA 41 HB3 ALA 41 -6.110 -1.501 4.277 320 H ILE 42 H ILE 42 -4.330 1.251 1.201 321 HA ILE 42 HA ILE 42 -6.600 1.618 -0.639 322 HB ILE 42 HB ILE 42 -5.649 3.798 -1.341 323 HG12 ILE 42 HG12 ILE 42 -3.899 3.500 1.113 324 HG13 ILE 42 HG13 ILE 42 -3.337 3.387 -0.553 325 HG21 ILE 42 HG21 ILE 42 -6.391 3.632 1.579 326 HG22 ILE 42 HG22 ILE 42 -7.513 3.734 0.224 327 HG23 ILE 42 HG23 ILE 42 -6.446 5.088 0.586 328 HD11 ILE 42 HD11 ILE 42 -4.539 5.819 0.751 329 HD12 ILE 42 HD12 ILE 42 -3.992 5.712 -0.924 330 HD13 ILE 42 HD13 ILE 42 -2.832 5.557 0.394 331 H SER 43 H SER 43 -5.625 2.350 -2.885 332 HA SER 43 HA SER 43 -3.768 0.271 -3.633 333 HG SER 43 HG SER 43 -5.812 -0.218 -5.450 334 HB2 SER 43 HB2 SER 43 -5.042 2.451 -5.312 335 HB3 SER 43 HB3 SER 43 -4.166 1.049 -5.931 336 H ASN 44 H ASN 44 -2.292 1.601 -1.991 337 HA ASN 44 HA ASN 44 -0.853 3.768 -3.314 338 HB2 ASN 44 HB2 ASN 44 -1.378 3.822 -0.862 339 HB3 ASN 44 HB3 ASN 44 -0.270 2.473 -0.645 340 HD21 ASN 44 HD21 ASN 44 -0.554 5.848 -1.450 341 HD22 ASN 44 HD22 ASN 44 1.108 6.248 -1.207 342 H ILE 45 H ILE 45 -0.266 2.312 -5.075 343 HA ILE 45 HA ILE 45 2.065 0.622 -4.420 344 HB ILE 45 HB ILE 45 0.186 0.098 -6.722 345 HG12 ILE 45 HG12 ILE 45 -1.125 -0.088 -4.661 346 HG13 ILE 45 HG13 ILE 45 -0.868 -1.672 -5.384 347 HG21 ILE 45 HG21 ILE 45 2.243 -1.614 -5.336 348 HG22 ILE 45 HG22 ILE 45 2.379 -0.888 -6.938 349 HG23 ILE 45 HG23 ILE 45 1.186 -2.153 -6.642 350 HD11 ILE 45 HD11 ILE 45 0.899 -2.117 -3.761 351 HD12 ILE 45 HD12 ILE 45 -0.637 -1.751 -2.974 352 HD13 ILE 45 HD13 ILE 45 0.633 -0.530 -3.039 353 H ASP 46 H ASP 46 3.827 0.834 -5.766 354 HA ASP 46 HA ASP 46 3.719 2.965 -7.751 355 HB2 ASP 46 HB2 ASP 46 5.642 2.730 -6.110 356 HB3 ASP 46 HB3 ASP 46 6.113 1.279 -6.992 357 HA PRO 47 HA PRO 47 2.665 -0.115 -10.783 358 HB2 PRO 47 HB2 PRO 47 3.269 2.079 -12.675 359 HB3 PRO 47 HB3 PRO 47 1.784 1.142 -12.471 360 HG2 PRO 47 HG2 PRO 47 1.918 3.671 -11.650 361 HG3 PRO 47 HG3 PRO 47 1.043 2.450 -10.706 362 HD2 PRO 47 HD2 PRO 47 3.776 3.602 -10.248 363 HD3 PRO 47 HD3 PRO 47 2.487 3.258 -9.073 364 H PHE 48 H PHE 48 5.667 1.588 -10.586 365 HA PHE 48 HA PHE 48 6.815 -0.063 -12.725 366 HD1 PHE 48 HD1 PHE 48 7.615 1.081 -14.778 367 HD2 PHE 48 HD2 PHE 48 10.454 1.920 -11.724 368 HE1 PHE 48 HE1 PHE 48 9.440 0.700 -16.380 369 HE2 PHE 48 HE2 PHE 48 12.286 1.536 -13.320 370 HZ PHE 48 HZ PHE 48 11.781 0.928 -15.651 371 HB2 PHE 48 HB2 PHE 48 7.122 2.487 -12.615 372 HB3 PHE 48 HB3 PHE 48 8.214 2.178 -11.270 373 H ALA 49 H ALA 49 6.329 -0.209 -9.483 374 HA ALA 49 HA ALA 49 8.838 -1.690 -9.011 375 HB1 ALA 49 HB1 ALA 49 7.157 -0.251 -6.960 376 HB2 ALA 49 HB2 ALA 49 8.663 0.351 -7.652 377 HB3 ALA 49 HB3 ALA 49 8.669 -1.108 -6.663 378 H GLN 50 H GLN 50 5.388 -1.684 -8.868 379 HA GLN 50 HA GLN 50 3.862 -3.351 -8.720 380 HB2 GLN 50 HB2 GLN 50 5.782 -4.607 -9.973 381 HB3 GLN 50 HB3 GLN 50 6.031 -5.412 -8.432 382 HG2 GLN 50 HG2 GLN 50 4.654 -6.845 -9.658 383 HG3 GLN 50 HG3 GLN 50 3.579 -6.040 -8.517 384 HE21 GLN 50 HE21 GLN 50 2.017 -4.613 -9.286 385 HE22 GLN 50 HE22 GLN 50 1.645 -4.476 -10.971 386 H ALA 51 H ALA 51 5.322 -2.101 -6.391 387 HA ALA 51 HA ALA 51 4.095 -3.679 -4.271 388 HB1 ALA 51 HB1 ALA 51 6.343 -4.669 -4.472 389 HB2 ALA 51 HB2 ALA 51 6.127 -3.825 -2.938 390 HB3 ALA 51 HB3 ALA 51 7.059 -3.074 -4.233 391 H SER 52 H SER 52 4.368 -2.485 -2.156 392 HA SER 52 HA SER 52 3.780 0.291 -2.652 393 HG SER 52 HG SER 52 3.910 -1.529 0.847 394 HB2 SER 52 HB2 SER 52 3.351 0.234 -0.119 395 HB3 SER 52 HB3 SER 52 2.295 -0.736 -1.146 396 H VAL 53 H VAL 53 5.885 0.953 -3.321 397 HA VAL 53 HA VAL 53 7.878 1.135 -1.182 398 HB VAL 53 HB VAL 53 9.395 2.072 -2.880 399 HG11 VAL 53 HG11 VAL 53 9.676 0.046 -4.216 400 HG12 VAL 53 HG12 VAL 53 8.060 -0.486 -3.760 401 HG13 VAL 53 HG13 VAL 53 9.320 -0.347 -2.536 402 HG21 VAL 53 HG21 VAL 53 7.748 3.197 -4.288 403 HG22 VAL 53 HG22 VAL 53 7.104 1.637 -4.799 404 HG23 VAL 53 HG23 VAL 53 8.746 2.101 -5.242 405 H LEU 54 H LEU 54 5.324 2.833 -2.477 406 HA LEU 54 HA LEU 54 6.212 5.514 -2.119 407 HG LEU 54 HG LEU 54 4.328 3.672 -4.085 408 HB2 LEU 54 HB2 LEU 54 3.379 4.483 -1.969 409 HB3 LEU 54 HB3 LEU 54 3.887 6.113 -2.358 410 HD11 LEU 54 HD11 LEU 54 2.454 6.016 -4.386 411 HD12 LEU 54 HD12 LEU 54 1.997 4.354 -4.009 412 HD13 LEU 54 HD13 LEU 54 2.706 4.740 -5.578 413 HD21 LEU 54 HD21 LEU 54 4.927 6.579 -4.624 414 HD22 LEU 54 HD22 LEU 54 5.100 5.251 -5.774 415 HD23 LEU 54 HD23 LEU 54 6.121 5.314 -4.335 416 H SER 55 H SER 55 4.968 3.027 -0.083 417 HA SER 55 HA SER 55 4.293 4.782 2.114 418 HG SER 55 HG SER 55 3.937 0.756 1.966 419 HB2 SER 55 HB2 SER 55 3.788 2.502 3.195 420 HB3 SER 55 HB3 SER 55 2.792 2.989 1.822 421 H ARG 56 H ARG 56 7.167 3.833 1.013 422 HA ARG 56 HA ARG 56 8.222 3.102 3.661 423 HE ARG 56 HE ARG 56 8.436 2.287 4.562 424 HB2 ARG 56 HB2 ARG 56 8.552 1.588 1.590 425 HB3 ARG 56 HB3 ARG 56 9.726 2.791 1.078 426 HG2 ARG 56 HG2 ARG 56 10.947 1.098 2.155 427 HG3 ARG 56 HG3 ARG 56 10.878 2.446 3.288 428 HD2 ARG 56 HD2 ARG 56 9.061 0.039 3.354 429 HD3 ARG 56 HD3 ARG 56 10.500 0.236 4.348 430 HH11 ARG 56 HH11 ARG 56 9.950 -0.559 5.907 431 HH12 ARG 56 HH12 ARG 56 9.299 -0.313 7.505 432 HH21 ARG 56 HH21 ARG 56 7.540 2.602 6.650 433 HH22 ARG 56 HH22 ARG 56 7.909 1.479 7.922 434 H GLY 57 H GLY 57 7.625 5.790 2.282 435 HA2 GLY 57 HA2 GLY 57 10.296 6.990 2.382 436 HA3 GLY 57 HA3 GLY 57 8.838 7.762 1.775 437 H ILE 58 H ILE 58 9.051 9.599 3.002 438 HA ILE 58 HA ILE 58 9.132 9.297 5.915 439 HB ILE 58 HB ILE 58 9.365 11.786 4.210 440 HG12 ILE 58 HG12 ILE 58 11.307 10.319 3.983 441 HG13 ILE 58 HG13 ILE 58 11.734 11.759 4.900 442 HG21 ILE 58 HG21 ILE 58 9.693 11.437 7.189 443 HG22 ILE 58 HG22 ILE 58 8.395 12.310 6.371 444 HG23 ILE 58 HG23 ILE 58 10.052 12.909 6.285 445 HD11 ILE 58 HD11 ILE 58 11.588 10.483 6.972 446 HD12 ILE 58 HD12 ILE 58 12.743 9.766 5.849 447 HD13 ILE 58 HD13 ILE 58 11.149 9.042 6.055 448 H VAL 59 H VAL 59 7.305 9.200 6.955 449 HA VAL 59 HA VAL 59 4.800 9.960 5.857 450 HB VAL 59 HB VAL 59 5.561 9.309 8.710 451 HG11 VAL 59 HG11 VAL 59 3.480 10.590 8.613 452 HG12 VAL 59 HG12 VAL 59 3.164 8.916 9.067 453 HG13 VAL 59 HG13 VAL 59 2.831 9.462 7.423 454 HG21 VAL 59 HG21 VAL 59 5.986 7.461 7.197 455 HG22 VAL 59 HG22 VAL 59 4.353 7.594 6.545 456 HG23 VAL 59 HG23 VAL 59 4.597 7.104 8.222 457 H ALA 60 H ALA 60 4.522 12.022 5.417 458 HA ALA 60 HA ALA 60 5.495 14.082 7.247 459 HB1 ALA 60 HB1 ALA 60 5.081 15.647 5.428 460 HB2 ALA 60 HB2 ALA 60 4.372 14.353 4.459 461 HB3 ALA 60 HB3 ALA 60 6.084 14.303 4.880 462 H GLU 61 H GLU 61 4.115 14.574 8.810 463 HA GLU 61 HA GLU 61 1.256 14.431 8.350 464 HB2 GLU 61 HB2 GLU 61 2.981 14.884 10.770 465 HB3 GLU 61 HB3 GLU 61 1.246 15.140 10.818 466 HG2 GLU 61 HG2 GLU 61 0.797 12.880 10.337 467 HG3 GLU 61 HG3 GLU 61 2.477 12.578 9.907 468 H HIS 62 H HIS 62 -0.014 16.096 8.012 469 HA HIS 62 HA HIS 62 1.274 18.744 7.912 470 HD2 HIS 62 HD2 HIS 62 -2.139 20.428 5.838 471 HE1 HIS 62 HE1 HIS 62 1.527 22.064 4.513 472 HE2 HIS 62 HE2 HIS 62 -0.924 22.532 4.942 473 HB2 HIS 62 HB2 HIS 62 0.392 17.604 5.776 474 HB3 HIS 62 HB3 HIS 62 -1.214 17.957 6.403 475 H GLN 63 H GLN 63 0.421 17.903 10.325 476 HA GLN 63 HA GLN 63 -0.706 18.618 12.154 477 HB2 GLN 63 HB2 GLN 63 -1.744 20.687 10.220 478 HB3 GLN 63 HB3 GLN 63 -2.250 20.641 11.899 479 HG2 GLN 63 HG2 GLN 63 -0.504 22.284 11.560 480 HG3 GLN 63 HG3 GLN 63 0.052 20.988 12.614 481 HE21 GLN 63 HE21 GLN 63 0.244 22.329 9.387 482 HE22 GLN 63 HE22 GLN 63 1.758 21.590 8.969 483 H ASP 64 H ASP 64 -3.053 19.025 9.511 484 HA ASP 64 HA ASP 64 -5.018 17.599 11.141 485 HB2 ASP 64 HB2 ASP 64 -5.589 19.828 10.169 486 HB3 ASP 64 HB3 ASP 64 -5.445 19.119 8.564 487 H ASP 65 H ASP 65 -3.545 17.508 7.916 488 HA ASP 65 HA ASP 65 -4.895 14.960 7.395 489 HB2 ASP 65 HB2 ASP 65 -4.702 17.027 5.739 490 HB3 ASP 65 HB3 ASP 65 -3.149 16.290 5.361 491 H LEU 66 H LEU 66 -3.375 13.481 5.938 492 HA LEU 66 HA LEU 66 -0.810 13.172 7.346 493 HG LEU 66 HG LEU 66 -3.447 12.348 8.866 494 HB2 LEU 66 HB2 LEU 66 -2.838 10.973 6.904 495 HB3 LEU 66 HB3 LEU 66 -1.233 10.753 7.568 496 HD11 LEU 66 HD11 LEU 66 -3.531 10.525 10.485 497 HD12 LEU 66 HD12 LEU 66 -2.324 9.636 9.559 498 HD13 LEU 66 HD13 LEU 66 -3.912 9.951 8.862 499 HD21 LEU 66 HD21 LEU 66 -0.719 11.570 9.901 500 HD22 LEU 66 HD22 LEU 66 -1.963 12.444 10.795 501 HD23 LEU 66 HD23 LEU 66 -1.200 13.187 9.390 502 H TRP 67 H TRP 67 0.769 12.998 5.898 503 HA TRP 67 HA TRP 67 0.103 11.946 3.229 504 HD1 TRP 67 HD1 TRP 67 0.007 15.459 5.274 505 HE1 TRP 67 HE1 TRP 67 -1.904 16.947 4.409 506 HE3 TRP 67 HE3 TRP 67 -0.005 14.023 0.368 507 HZ2 TRP 67 HZ2 TRP 67 -3.248 17.442 1.990 508 HZ3 TRP 67 HZ3 TRP 67 -1.644 15.047 -1.153 509 HH2 TRP 67 HH2 TRP 67 -3.230 16.720 -0.359 510 HB2 TRP 67 HB2 TRP 67 2.026 14.206 3.826 511 HB3 TRP 67 HB3 TRP 67 1.553 13.617 2.237 512 H VAL 68 H VAL 68 2.008 11.169 2.026 513 HA VAL 68 HA VAL 68 4.313 10.528 3.720 514 HB VAL 68 HB VAL 68 2.907 8.504 3.576 515 HG11 VAL 68 HG11 VAL 68 1.837 8.834 1.443 516 HG12 VAL 68 HG12 VAL 68 2.714 7.304 1.426 517 HG13 VAL 68 HG13 VAL 68 3.387 8.716 0.610 518 HG21 VAL 68 HG21 VAL 68 4.663 6.961 2.849 519 HG22 VAL 68 HG22 VAL 68 5.316 8.273 3.826 520 HG23 VAL 68 HG23 VAL 68 5.514 8.296 2.075 521 H ALA 69 H ALA 69 6.222 10.936 2.804 522 HA ALA 69 HA ALA 69 6.247 11.864 0.030 523 HB1 ALA 69 HB1 ALA 69 7.273 13.319 1.688 524 HB2 ALA 69 HB2 ALA 69 8.488 12.719 0.560 525 HB3 ALA 69 HB3 ALA 69 8.362 12.022 2.176 526 H SER 70 H SER 70 6.481 10.268 -1.392 527 HA SER 70 HA SER 70 7.703 7.779 -0.790 528 HG SER 70 HG SER 70 6.988 6.340 -3.441 529 HB2 SER 70 HB2 SER 70 5.958 7.864 -2.451 530 HB3 SER 70 HB3 SER 70 6.865 9.025 -3.416 531 HA PRO 71 HA PRO 71 11.937 8.897 -1.580 532 HB2 PRO 71 HB2 PRO 71 12.969 6.390 -1.670 533 HB3 PRO 71 HB3 PRO 71 12.499 7.173 -0.158 534 HG2 PRO 71 HG2 PRO 71 11.006 5.165 -1.798 535 HG3 PRO 71 HG3 PRO 71 11.201 5.244 -0.038 536 HD2 PRO 71 HD2 PRO 71 8.959 6.096 -1.307 537 HD3 PRO 71 HD3 PRO 71 9.547 6.826 0.199 538 H LEU 72 H LEU 72 10.147 6.606 -3.535 539 HA LEU 72 HA LEU 72 12.083 6.749 -5.700 540 HG LEU 72 HG LEU 72 11.031 3.229 -5.883 541 HB2 LEU 72 HB2 LEU 72 9.601 5.146 -5.215 542 HB3 LEU 72 HB3 LEU 72 10.260 5.274 -6.830 543 HD11 LEU 72 HD11 LEU 72 13.461 3.527 -5.937 544 HD12 LEU 72 HD12 LEU 72 13.245 5.272 -5.806 545 HD13 LEU 72 HD13 LEU 72 12.659 4.417 -7.233 546 HD21 LEU 72 HD21 LEU 72 12.027 4.856 -3.549 547 HD22 LEU 72 HD22 LEU 72 12.336 3.139 -3.807 548 HD23 LEU 72 HD23 LEU 72 10.688 3.707 -3.532 549 H LYS 73 H LYS 73 8.841 7.842 -4.930 550 HA LYS 73 HA LYS 73 8.432 8.874 -7.616 551 HB2 LYS 73 HB2 LYS 73 6.731 7.856 -5.756 552 HB3 LYS 73 HB3 LYS 73 6.506 9.579 -5.502 553 HG2 LYS 73 HG2 LYS 73 4.883 9.117 -7.055 554 HG3 LYS 73 HG3 LYS 73 6.212 9.653 -8.082 555 HD2 LYS 73 HD2 LYS 73 5.640 6.761 -7.445 556 HD3 LYS 73 HD3 LYS 73 5.027 7.589 -8.874 557 HE2 LYS 73 HE2 LYS 73 7.334 8.036 -9.590 558 HE3 LYS 73 HE3 LYS 73 7.932 7.189 -8.164 559 HZ1 LYS 73 HZ1 LYS 73 6.228 5.947 -10.258 560 HZ2 LYS 73 HZ2 LYS 73 6.962 5.154 -8.947 561 HZ3 LYS 73 HZ3 LYS 73 7.913 5.808 -10.188 562 H LYS 74 H LYS 74 9.342 10.032 -4.472 563 HA LYS 74 HA LYS 74 9.997 12.046 -3.669 564 HB2 LYS 74 HB2 LYS 74 10.108 12.791 -6.598 565 HB3 LYS 74 HB3 LYS 74 10.698 13.809 -5.293 566 HG2 LYS 74 HG2 LYS 74 12.335 12.102 -4.693 567 HG3 LYS 74 HG3 LYS 74 11.737 11.069 -5.995 568 HD2 LYS 74 HD2 LYS 74 12.370 12.749 -7.639 569 HD3 LYS 74 HD3 LYS 74 12.923 13.820 -6.350 570 HE2 LYS 74 HE2 LYS 74 14.058 11.097 -6.960 571 HE3 LYS 74 HE3 LYS 74 14.772 12.627 -7.464 572 HZ1 LYS 74 HZ1 LYS 74 15.901 11.994 -5.530 573 HZ2 LYS 74 HZ2 LYS 74 14.484 11.560 -4.718 574 HZ3 LYS 74 HZ3 LYS 74 14.821 13.197 -5.012 575 H GLN 75 H GLN 75 7.143 11.396 -4.258 576 HA GLN 75 HA GLN 75 6.094 14.144 -4.241 577 HB2 GLN 75 HB2 GLN 75 4.752 11.685 -5.384 578 HB3 GLN 75 HB3 GLN 75 4.032 13.286 -5.286 579 HG2 GLN 75 HG2 GLN 75 5.811 14.142 -6.758 580 HG3 GLN 75 HG3 GLN 75 6.440 12.502 -6.906 581 HE21 GLN 75 HE21 GLN 75 6.107 12.442 -9.109 582 HE22 GLN 75 HE22 GLN 75 4.532 12.326 -9.805 583 H HIS 76 H HIS 76 4.195 14.498 -2.960 584 HA HIS 76 HA HIS 76 4.108 12.761 -0.603 585 HD1 HIS 76 HD1 HIS 76 5.219 16.461 -1.799 586 HD2 HIS 76 HD2 HIS 76 5.119 14.735 1.987 587 HE1 HIS 76 HE1 HIS 76 7.309 17.249 -0.631 588 HE2 HIS 76 HE2 HIS 76 7.120 16.352 1.723 589 HB2 HIS 76 HB2 HIS 76 2.903 15.495 -1.094 590 HB3 HIS 76 HB3 HIS 76 2.825 14.615 0.428 591 H PHE 77 H PHE 77 2.633 11.228 -0.508 592 HA PHE 77 HA PHE 77 0.146 11.513 -2.043 593 HD1 PHE 77 HD1 PHE 77 3.481 9.544 -2.166 594 HD2 PHE 77 HD2 PHE 77 -0.359 9.013 -3.916 595 HE1 PHE 77 HE1 PHE 77 4.540 9.146 -4.349 596 HE2 PHE 77 HE2 PHE 77 0.692 8.613 -6.107 597 HZ PHE 77 HZ PHE 77 3.145 8.678 -6.324 598 HB2 PHE 77 HB2 PHE 77 1.471 9.096 -0.801 599 HB3 PHE 77 HB3 PHE 77 -0.118 9.055 -1.557 600 H ARG 78 H ARG 78 -1.808 11.589 -1.094 601 HA ARG 78 HA ARG 78 -1.984 12.071 1.735 602 HE ARG 78 HE ARG 78 -7.462 12.386 1.741 603 HB2 ARG 78 HB2 ARG 78 -3.341 13.378 0.251 604 HB3 ARG 78 HB3 ARG 78 -4.021 11.942 -0.490 605 HG2 ARG 78 HG2 ARG 78 -5.325 11.469 1.445 606 HG3 ARG 78 HG3 ARG 78 -4.482 12.706 2.387 607 HD2 ARG 78 HD2 ARG 78 -5.473 14.454 1.202 608 HD3 ARG 78 HD3 ARG 78 -5.928 13.412 -0.141 609 HH11 ARG 78 HH11 ARG 78 -6.744 15.753 1.132 610 HH12 ARG 78 HH12 ARG 78 -8.303 16.306 1.655 611 HH21 ARG 78 HH21 ARG 78 -9.517 13.098 2.367 612 HH22 ARG 78 HH22 ARG 78 -9.892 14.800 2.327 613 H LEU 79 H LEU 79 -2.422 10.622 3.276 614 HA LEU 79 HA LEU 79 -2.442 7.852 2.556 615 HG LEU 79 HG LEU 79 -0.531 9.677 4.295 616 HB2 LEU 79 HB2 LEU 79 -2.714 9.172 5.251 617 HB3 LEU 79 HB3 LEU 79 -2.457 7.456 4.989 618 HD11 LEU 79 HD11 LEU 79 -0.639 9.252 6.672 619 HD12 LEU 79 HD12 LEU 79 0.876 8.625 6.019 620 HD13 LEU 79 HD13 LEU 79 -0.445 7.522 6.398 621 HD21 LEU 79 HD21 LEU 79 1.025 7.890 3.692 622 HD22 LEU 79 HD22 LEU 79 -0.405 7.874 2.659 623 HD23 LEU 79 HD23 LEU 79 -0.244 6.693 3.958 624 H TYR 80 H TYR 80 -4.918 10.112 3.552 625 HA TYR 80 HA TYR 80 -6.724 8.022 4.379 626 HD1 TYR 80 HD2 TYR 80 -8.087 8.231 6.410 627 HD2 TYR 80 HD1 TYR 80 -9.614 11.270 3.854 628 HE1 TYR 80 HE2 TYR 80 -10.363 7.739 7.194 629 HE2 TYR 80 HE1 TYR 80 -11.896 10.786 4.632 630 HH TYR 80 HH TYR 80 -12.521 8.829 7.368 631 HB2 TYR 80 HB2 TYR 80 -6.671 10.279 5.458 632 HB3 TYR 80 HB3 TYR 80 -7.323 10.960 3.971 633 H ASP 81 H ASP 81 -5.941 9.535 1.423 634 HA ASP 81 HA ASP 81 -8.264 8.293 0.153 635 HB2 ASP 81 HB2 ASP 81 -7.498 11.197 -0.199 636 HB3 ASP 81 HB3 ASP 81 -8.552 10.332 -1.310 637 H GLY 82 H GLY 82 -5.838 10.564 -1.040 638 HA2 GLY 82 HA2 GLY 82 -3.943 9.062 -2.168 639 HA3 GLY 82 HA3 GLY 82 -5.296 8.769 -3.251 640 H PHE 83 H PHE 83 -6.134 11.658 -2.479 641 HA PHE 83 HA PHE 83 -5.197 13.033 -4.702 642 HD1 PHE 83 HD1 PHE 83 -7.407 14.082 -5.505 643 HD2 PHE 83 HD2 PHE 83 -8.045 13.313 -1.368 644 HE1 PHE 83 HE1 PHE 83 -9.739 13.466 -5.982 645 HE2 PHE 83 HE2 PHE 83 -10.380 12.700 -1.839 646 HZ PHE 83 HZ PHE 83 -11.232 12.773 -4.148 647 HB2 PHE 83 HB2 PHE 83 -6.042 14.212 -2.041 648 HB3 PHE 83 HB3 PHE 83 -5.957 15.081 -3.568 649 H CYS 84 H CYS 84 -3.130 13.409 -5.163 650 HA CYS 84 HA CYS 84 -1.113 13.375 -3.132 651 HG CYS 84 HG CYS 84 -1.988 11.278 -4.928 652 HB2 CYS 84 HB2 CYS 84 -0.799 14.031 -6.065 653 HB3 CYS 84 HB3 CYS 84 0.448 13.462 -4.958 654 H LEU 85 H LEU 85 0.467 15.018 -2.784 655 HA LEU 85 HA LEU 85 -0.706 17.670 -2.751 656 HG LEU 85 HG LEU 85 1.688 19.243 -1.730 657 HB2 LEU 85 HB2 LEU 85 0.502 16.627 -0.796 658 HB3 LEU 85 HB3 LEU 85 1.987 16.797 -1.711 659 HD11 LEU 85 HD11 LEU 85 -0.747 19.304 -1.589 660 HD12 LEU 85 HD12 LEU 85 -0.003 20.273 -0.314 661 HD13 LEU 85 HD13 LEU 85 -0.670 18.682 0.060 662 HD21 LEU 85 HD21 LEU 85 2.159 19.607 0.650 663 HD22 LEU 85 HD22 LEU 85 3.032 18.214 0.010 664 HD23 LEU 85 HD23 LEU 85 1.592 17.974 1.003 665 H GLU 86 H GLU 86 1.556 15.861 -4.576 666 HA GLU 86 HA GLU 86 2.777 18.187 -5.801 667 HB2 GLU 86 HB2 GLU 86 3.223 15.257 -5.875 668 HB3 GLU 86 HB3 GLU 86 3.619 16.139 -7.342 669 HG2 GLU 86 HG2 GLU 86 5.504 15.791 -5.723 670 HG3 GLU 86 HG3 GLU 86 5.232 17.450 -6.246 671 H ASP 87 H ASP 87 1.574 15.340 -7.500 672 HA ASP 87 HA ASP 87 -0.381 16.955 -8.953 673 HB2 ASP 87 HB2 ASP 87 1.830 15.375 -10.299 674 HB3 ASP 87 HB3 ASP 87 0.435 16.048 -11.132 675 H GLY 88 H GLY 88 -1.875 15.619 -10.203 676 HA2 GLY 88 HA2 GLY 88 -2.428 13.087 -8.910 677 HA3 GLY 88 HA3 GLY 88 -3.370 13.840 -10.194 678 H ALA 89 H ALA 89 -0.184 12.373 -9.664 679 HA ALA 89 HA ALA 89 0.394 11.894 -12.359 680 HB1 ALA 89 HB1 ALA 89 2.186 10.475 -11.564 681 HB2 ALA 89 HB2 ALA 89 1.447 10.391 -9.965 682 HB3 ALA 89 HB3 ALA 89 2.078 11.925 -10.566 683 H TYR 90 H TYR 90 -0.439 9.396 -9.936 684 HA TYR 90 HA TYR 90 -1.264 7.688 -12.171 685 HD1 TYR 90 HD1 TYR 90 0.615 6.050 -12.640 686 HD2 TYR 90 HD2 TYR 90 1.391 7.277 -8.643 687 HE1 TYR 90 HE1 TYR 90 3.033 5.881 -13.061 688 HE2 TYR 90 HE2 TYR 90 3.805 7.110 -9.053 689 HH TYR 90 HH TYR 90 5.121 6.715 -12.200 690 HB2 TYR 90 HB2 TYR 90 -0.782 6.936 -9.284 691 HB3 TYR 90 HB3 TYR 90 -1.096 5.823 -10.610 692 H SER 91 H SER 91 -2.506 9.364 -9.421 693 HA SER 91 HA SER 91 -4.521 9.503 -8.399 694 HG SER 91 HG SER 91 -4.776 10.217 -11.723 695 HB2 SER 91 HB2 SER 91 -5.608 8.406 -11.008 696 HB3 SER 91 HB3 SER 91 -6.518 9.292 -9.782 697 H VAL 92 H VAL 92 -4.004 7.912 -6.861 698 HA VAL 92 HA VAL 92 -4.474 5.131 -7.419 699 HB VAL 92 HB VAL 92 -3.813 4.725 -5.104 700 HG11 VAL 92 HG11 VAL 92 -2.044 6.716 -6.515 701 HG12 VAL 92 HG12 VAL 92 -2.059 4.968 -6.752 702 HG13 VAL 92 HG13 VAL 92 -1.534 5.643 -5.211 703 HG21 VAL 92 HG21 VAL 92 -4.877 6.665 -4.062 704 HG22 VAL 92 HG22 VAL 92 -3.695 7.727 -4.827 705 HG23 VAL 92 HG23 VAL 92 -3.173 6.552 -3.618 706 H ALA 93 H ALA 93 -5.941 3.787 -6.193 707 HA ALA 93 HA ALA 93 -8.501 5.128 -5.817 708 HB1 ALA 93 HB1 ALA 93 -7.891 2.177 -5.915 709 HB2 ALA 93 HB2 ALA 93 -8.373 3.161 -7.296 710 HB3 ALA 93 HB3 ALA 93 -9.488 2.925 -5.950 711 H ALA 94 H ALA 94 -9.688 5.055 -3.952 712 HA ALA 94 HA ALA 94 -8.276 4.076 -1.560 713 HB1 ALA 94 HB1 ALA 94 -9.397 5.852 -0.305 714 HB2 ALA 94 HB2 ALA 94 -10.177 6.411 -1.785 715 HB3 ALA 94 HB3 ALA 94 -8.425 6.517 -1.618 716 H TYR 95 H TYR 95 -9.203 2.109 -1.333 717 HA TYR 95 HA TYR 95 -12.056 1.750 -1.596 718 HD1 TYR 95 HD2 TYR 95 -12.401 -0.388 -3.372 719 HD2 TYR 95 HD1 TYR 95 -8.296 -0.101 -2.301 720 HE1 TYR 95 HE2 TYR 95 -11.768 -0.825 -5.708 721 HE2 TYR 95 HE1 TYR 95 -7.651 -0.533 -4.632 722 HH TYR 95 HH TYR 95 -9.902 -0.472 -7.212 723 HB2 TYR 95 HB2 TYR 95 -9.939 -0.178 -0.612 724 HB3 TYR 95 HB3 TYR 95 -11.610 -0.589 -0.989 725 H ASP 96 H ASP 96 -13.524 1.642 0.019 726 HA ASP 96 HA ASP 96 -12.886 2.702 2.563 727 HB2 ASP 96 HB2 ASP 96 -15.152 2.756 1.357 728 HB3 ASP 96 HB3 ASP 96 -15.375 1.110 1.939 729 H THR 97 H THR 97 -12.542 1.702 4.512 730 HA THR 97 HA THR 97 -11.976 -1.191 4.334 731 HB THR 97 HB THR 97 -10.188 -0.787 6.002 732 HG1 THR 97 HG1 THR 97 -10.444 1.988 5.539 733 HG21 THR 97 HG21 THR 97 -9.964 0.976 3.562 734 HG22 THR 97 HG22 THR 97 -9.621 -0.753 3.622 735 HG23 THR 97 HG23 THR 97 -8.618 0.377 4.531 736 H GLN 98 H GLN 98 -12.690 -2.512 5.980 737 HA GLN 98 HA GLN 98 -13.607 -1.206 8.441 738 HB2 GLN 98 HB2 GLN 98 -15.468 -2.794 8.643 739 HB3 GLN 98 HB3 GLN 98 -15.627 -1.768 7.232 740 HG2 GLN 98 HG2 GLN 98 -14.917 -3.558 5.791 741 HG3 GLN 98 HG3 GLN 98 -14.579 -4.583 7.185 742 HE21 GLN 98 HE21 GLN 98 -17.355 -2.469 6.999 743 HE22 GLN 98 HE22 GLN 98 -18.537 -3.723 6.870 744 H VAL 99 H VAL 99 -13.032 -2.160 10.265 745 HA VAL 99 HA VAL 99 -11.483 -4.667 10.048 746 HB VAL 99 HB VAL 99 -11.248 -2.651 12.287 747 HG11 VAL 99 HG11 VAL 99 -9.437 -4.887 11.375 748 HG12 VAL 99 HG12 VAL 99 -10.458 -4.895 12.812 749 HG13 VAL 99 HG13 VAL 99 -9.103 -3.772 12.699 750 HG21 VAL 99 HG21 VAL 99 -9.205 -1.834 11.197 751 HG22 VAL 99 HG22 VAL 99 -10.637 -1.531 10.213 752 HG23 VAL 99 HG23 VAL 99 -9.549 -2.854 9.800 753 H THR 100 H THR 100 -13.803 -5.449 10.081 754 HA THR 100 HA THR 100 -15.204 -5.229 12.608 755 HB THR 100 HB THR 100 -16.007 -6.944 10.264 756 HG1 THR 100 HG1 THR 100 -16.213 -4.128 10.632 757 HG21 THR 100 HG21 THR 100 -17.287 -7.229 12.340 758 HG22 THR 100 HG22 THR 100 -18.271 -6.500 11.071 759 HG23 THR 100 HG23 THR 100 -17.621 -5.498 12.368 760 H ASN 101 H ASN 101 -13.231 -7.527 10.948 761 HA ASN 101 HA ASN 101 -13.984 -9.662 12.816 762 HB2 ASN 101 HB2 ASN 101 -14.212 -10.250 10.474 763 HB3 ASN 101 HB3 ASN 101 -12.565 -9.727 10.142 764 HD21 ASN 101 HD21 ASN 101 -14.556 -12.160 11.642 765 HD22 ASN 101 HD22 ASN 101 -13.326 -13.380 11.730 766 H GLY 102 H GLY 102 -11.723 -7.300 12.545 767 HA2 GLY 102 HA2 GLY 102 -9.714 -7.120 13.814 768 HA3 GLY 102 HA3 GLY 102 -9.612 -8.880 13.843 769 H ASN 103 H ASN 103 -10.154 -9.320 11.136 770 HA ASN 103 HA ASN 103 -7.763 -8.451 9.783 771 HB2 ASN 103 HB2 ASN 103 -10.171 -10.060 8.902 772 HB3 ASN 103 HB3 ASN 103 -8.874 -9.613 7.802 773 HD21 ASN 103 HD21 ASN 103 -9.829 -11.640 10.442 774 HD22 ASN 103 HD22 ASN 103 -8.430 -12.666 10.425 775 H VAL 104 H VAL 104 -7.649 -6.879 8.222 776 HA VAL 104 HA VAL 104 -9.819 -4.958 8.195 777 HB VAL 104 HB VAL 104 -7.227 -4.896 6.623 778 HG11 VAL 104 HG11 VAL 104 -8.913 -3.386 5.739 779 HG12 VAL 104 HG12 VAL 104 -7.639 -2.466 6.543 780 HG13 VAL 104 HG13 VAL 104 -9.186 -2.719 7.350 781 HG21 VAL 104 HG21 VAL 104 -6.379 -3.428 8.404 782 HG22 VAL 104 HG22 VAL 104 -6.739 -5.050 8.999 783 HG23 VAL 104 HG23 VAL 104 -7.851 -3.723 9.330 784 H GLN 105 H GLN 105 -11.371 -4.910 6.752 785 HA GLN 105 HA GLN 105 -11.041 -6.486 4.290 786 HB2 GLN 105 HB2 GLN 105 -13.574 -6.022 5.876 787 HB3 GLN 105 HB3 GLN 105 -13.433 -6.984 4.410 788 HG2 GLN 105 HG2 GLN 105 -11.913 -8.515 5.555 789 HG3 GLN 105 HG3 GLN 105 -12.059 -7.557 7.026 790 HE21 GLN 105 HE21 GLN 105 -14.922 -7.075 6.595 791 HE22 GLN 105 HE22 GLN 105 -15.707 -8.565 6.990 792 H ILE 106 H ILE 106 -11.086 -5.344 2.514 793 HA ILE 106 HA ILE 106 -12.176 -2.641 2.558 794 HB ILE 106 HB ILE 106 -11.068 -2.571 0.207 795 HG12 ILE 106 HG12 ILE 106 -8.962 -4.044 0.234 796 HG13 ILE 106 HG13 ILE 106 -9.811 -5.031 1.416 797 HG21 ILE 106 HG21 ILE 106 -10.304 -1.295 2.112 798 HG22 ILE 106 HG22 ILE 106 -8.929 -1.934 1.208 799 HG23 ILE 106 HG23 ILE 106 -9.422 -2.693 2.722 800 HD11 ILE 106 HD11 ILE 106 -9.984 -5.937 -0.836 801 HD12 ILE 106 HD12 ILE 106 -10.757 -4.445 -1.377 802 HD13 ILE 106 HD13 ILE 106 -11.564 -5.479 -0.197 803 H SER 107 H SER 107 -13.573 -1.876 0.944 804 HA SER 107 HA SER 107 -15.457 -3.831 -0.031 805 HG SER 107 HG SER 107 -16.995 -2.438 -1.620 806 HB2 SER 107 HB2 SER 107 -16.025 -1.503 0.872 807 HB3 SER 107 HB3 SER 107 -15.415 -0.872 -0.656 808 H ILE 108 H ILE 108 -15.104 -4.920 -1.878 809 HA ILE 108 HA ILE 108 -13.009 -4.130 -3.655 810 HB ILE 108 HB ILE 108 -14.980 -6.398 -3.708 811 HG12 ILE 108 HG12 ILE 108 -13.024 -6.497 -2.184 812 HG13 ILE 108 HG13 ILE 108 -12.994 -7.760 -3.411 813 HG21 ILE 108 HG21 ILE 108 -12.938 -5.757 -5.837 814 HG22 ILE 108 HG22 ILE 108 -14.691 -5.751 -6.030 815 HG23 ILE 108 HG23 ILE 108 -13.845 -7.264 -5.712 816 HD11 ILE 108 HD11 ILE 108 -11.379 -6.473 -4.701 817 HD12 ILE 108 HD12 ILE 108 -10.792 -6.800 -3.070 818 HD13 ILE 108 HD13 ILE 108 -11.413 -5.202 -3.479 819 H ALA 109 H ALA 109 -13.280 -2.412 -4.879 820 HA ALA 109 HA ALA 109 -15.610 -2.344 -6.670 821 HB1 ALA 109 HB1 ALA 109 -14.989 -0.038 -7.167 822 HB2 ALA 109 HB2 ALA 109 -13.569 -0.181 -6.131 823 HB3 ALA 109 HB3 ALA 109 -15.184 -0.256 -5.427 824 H ASP 110 H ASP 110 -15.098 -3.730 -8.265 825 HA ASP 110 HA ASP 110 -12.529 -4.473 -9.031 826 HB2 ASP 110 HB2 ASP 110 -14.743 -5.649 -9.492 827 HB3 ASP 110 HB3 ASP 110 -14.913 -4.578 -10.876 828 H SER 111 H SER 111 -11.116 -3.821 -10.543 829 HA SER 111 HA SER 111 -11.458 -1.097 -11.497 830 HG SER 111 HG SER 111 -10.095 -1.258 -9.697 831 HB2 SER 111 HB2 SER 111 -9.069 -2.951 -11.609 832 HB3 SER 111 HB3 SER 111 -9.060 -1.246 -12.068 833 H ASP 112 H ASP 112 -11.906 -4.203 -12.672 834 HA ASP 112 HA ASP 112 -12.262 -5.140 -14.701 835 HB2 ASP 112 HB2 ASP 112 -13.910 -3.112 -14.613 836 HB3 ASP 112 HB3 ASP 112 -12.849 -2.427 -15.840 837 H VAL 113 H VAL 113 -9.998 -5.612 -14.878 838 HA VAL 113 HA VAL 113 -8.826 -4.424 -17.255 839 HB VAL 113 HB VAL 113 -8.014 -2.955 -15.466 840 HG11 VAL 113 HG11 VAL 113 -8.127 -4.495 -13.593 841 HG12 VAL 113 HG12 VAL 113 -6.515 -3.788 -13.727 842 HG13 VAL 113 HG13 VAL 113 -6.799 -5.439 -14.274 843 HG21 VAL 113 HG21 VAL 113 -5.873 -4.747 -16.596 844 HG22 VAL 113 HG22 VAL 113 -5.609 -3.143 -15.911 845 HG23 VAL 113 HG23 VAL 113 -6.573 -3.329 -17.375 846 H ALA 114 H ALA 114 -7.400 -5.807 -18.302 847 HA ALA 114 HA ALA 114 -7.016 -8.436 -17.023 848 HB1 ALA 114 HB1 ALA 114 -7.705 -7.987 -19.924 849 HB2 ALA 114 HB2 ALA 114 -8.830 -8.536 -18.682 850 HB3 ALA 114 HB3 ALA 114 -7.452 -9.543 -19.131 851 H VAL 115 H VAL 115 -4.906 -7.867 -16.456 852 HA VAL 115 HA VAL 115 -3.032 -7.601 -18.714 853 HB VAL 115 HB VAL 115 -2.527 -6.826 -15.829 854 HG11 VAL 115 HG11 VAL 115 -0.535 -5.726 -16.700 855 HG12 VAL 115 HG12 VAL 115 -0.928 -6.281 -18.326 856 HG13 VAL 115 HG13 VAL 115 -0.518 -7.450 -17.072 857 HG21 VAL 115 HG21 VAL 115 -4.209 -5.368 -16.818 858 HG22 VAL 115 HG22 VAL 115 -3.149 -5.061 -18.194 859 HG23 VAL 115 HG23 VAL 115 -2.689 -4.507 -16.583 860 H ASP 116 H ASP 116 -1.233 -8.967 -18.775 861 HA ASP 116 HA ASP 116 -1.648 -11.491 -17.448 862 HB2 ASP 116 HB2 ASP 116 0.322 -10.559 -19.522 863 HB3 ASP 116 HB3 ASP 116 0.433 -12.153 -18.780 864 H ASN 117 H ASN 117 -1.299 -10.770 -15.301 865 HA ASN 117 HA ASN 117 1.326 -11.528 -14.453 866 HB2 ASN 117 HB2 ASN 117 1.873 -9.600 -13.113 867 HB3 ASN 117 HB3 ASN 117 1.608 -9.051 -14.762 868 HD21 ASN 117 HD21 ASN 117 -0.054 -7.677 -15.196 869 HD22 ASN 117 HD22 ASN 117 -1.032 -6.948 -13.973 870 H SER 118 H SER 118 1.311 -11.400 -11.891 871 HA SER 118 HA SER 118 0.436 -12.358 -10.025 872 HG SER 118 HG SER 118 -0.558 -9.423 -10.716 873 HB2 SER 118 HB2 SER 118 -2.100 -10.978 -10.951 874 HB3 SER 118 HB3 SER 118 -1.774 -11.561 -9.316 875 H GLN 119 H GLN 119 0.585 -14.019 -12.225 876 HA GLN 119 HA GLN 119 -1.803 -15.295 -12.974 877 HB2 GLN 119 HB2 GLN 119 -0.339 -17.107 -13.809 878 HB3 GLN 119 HB3 GLN 119 0.195 -15.510 -14.316 879 HG2 GLN 119 HG2 GLN 119 1.924 -15.521 -12.622 880 HG3 GLN 119 HG3 GLN 119 1.354 -17.078 -12.024 881 HE21 GLN 119 HE21 GLN 119 3.964 -16.285 -13.073 882 HE22 GLN 119 HE22 GLN 119 4.294 -17.368 -14.383 883 HA PRO 120 HA PRO 120 -2.770 -17.850 -9.467 884 HB2 PRO 120 HB2 PRO 120 -3.967 -19.695 -11.434 885 HB3 PRO 120 HB3 PRO 120 -4.733 -18.831 -10.098 886 HG2 PRO 120 HG2 PRO 120 -5.164 -18.135 -12.654 887 HG3 PRO 120 HG3 PRO 120 -5.089 -16.926 -11.360 888 HD2 PRO 120 HD2 PRO 120 -3.013 -17.672 -13.383 889 HD3 PRO 120 HD3 PRO 120 -3.464 -16.068 -12.769 890 H LEU 121 H LEU 121 -1.297 -19.073 -8.533 891 HA LEU 121 HA LEU 121 0.391 -20.530 -8.168 892 HG LEU 121 HG LEU 121 -1.631 -23.625 -8.263 893 HB2 LEU 121 HB2 LEU 121 -1.199 -22.098 -10.182 894 HB3 LEU 121 HB3 LEU 121 0.245 -22.746 -9.433 895 HD11 LEU 121 HD11 LEU 121 -1.282 -22.759 -5.989 896 HD12 LEU 121 HD12 LEU 121 -0.387 -21.398 -6.664 897 HD13 LEU 121 HD13 LEU 121 0.233 -23.038 -6.848 898 HD21 LEU 121 HD21 LEU 121 -3.326 -22.029 -8.942 899 HD22 LEU 121 HD22 LEU 121 -2.587 -20.785 -7.933 900 HD23 LEU 121 HD23 LEU 121 -3.316 -22.205 -7.185 901 HA PRO 122 HA PRO 122 2.870 -19.075 -11.783 902 HB2 PRO 122 HB2 PRO 122 4.647 -18.011 -9.725 903 HB3 PRO 122 HB3 PRO 122 3.835 -17.159 -11.040 904 HG2 PRO 122 HG2 PRO 122 3.158 -16.825 -8.439 905 HG3 PRO 122 HG3 PRO 122 1.993 -16.673 -9.765 906 HD2 PRO 122 HD2 PRO 122 2.450 -18.968 -7.896 907 HD3 PRO 122 HD3 PRO 122 0.920 -18.298 -8.504 908 H LEU 123 H LEU 123 3.756 -20.939 -12.439 909 HA LEU 123 HA LEU 123 5.181 -22.684 -12.653 910 HG LEU 123 HG LEU 123 8.737 -22.215 -11.908 911 HB2 LEU 123 HB2 LEU 123 6.850 -20.865 -12.013 912 HB3 LEU 123 HB3 LEU 123 6.794 -21.509 -10.389 913 HD11 LEU 123 HD11 LEU 123 8.279 -23.271 -9.769 914 HD12 LEU 123 HD12 LEU 123 8.808 -24.455 -10.964 915 HD13 LEU 123 HD13 LEU 123 7.102 -24.338 -10.536 916 HD21 LEU 123 HD21 LEU 123 8.309 -24.139 -13.349 917 HD22 LEU 123 HD22 LEU 123 7.417 -22.718 -13.891 918 HD23 LEU 123 HD23 LEU 123 6.581 -24.004 -13.022 919 H GLU 124 H GLU 124 4.098 -24.447 -12.093 920 HA GLU 124 HA GLU 124 3.111 -24.886 -9.448 921 HB2 GLU 124 HB2 GLU 124 2.504 -25.800 -12.015 922 HB3 GLU 124 HB3 GLU 124 3.059 -27.228 -11.156 923 HG2 GLU 124 HG2 GLU 124 0.984 -25.398 -10.004 924 HG3 GLU 124 HG3 GLU 124 0.570 -26.705 -11.110 925 H HIS 125 H HIS 125 3.398 -27.623 -9.118 926 HA HIS 125 HA HIS 125 4.712 -29.159 -8.086 927 HD1 HIS 125 HD1 HIS 125 9.269 -28.887 -8.813 928 HD2 HIS 125 HD2 HIS 125 5.988 -31.282 -7.929 929 HE1 HIS 125 HE1 HIS 125 10.213 -30.973 -7.767 930 HE2 HIS 125 HE2 HIS 125 8.194 -32.318 -7.066 931 HB2 HIS 125 HB2 HIS 125 6.176 -28.930 -10.138 932 HB3 HIS 125 HB3 HIS 125 7.114 -27.729 -9.260 933 H HIS 126 H HIS 126 3.891 -26.583 -7.049 934 HA HIS 126 HA HIS 126 6.011 -25.594 -5.370 935 HD1 HIS 126 HD1 HIS 126 5.363 -22.134 -5.544 936 HD2 HIS 126 HD2 HIS 126 3.793 -24.380 -2.410 937 HE1 HIS 126 HE1 HIS 126 5.754 -20.771 -3.461 938 HE2 HIS 126 HE2 HIS 126 4.979 -22.240 -1.567 939 HB2 HIS 126 HB2 HIS 126 4.162 -24.165 -6.345 940 HB3 HIS 126 HB3 HIS 126 3.064 -24.933 -5.206 941 H HIS 127 H HIS 127 6.460 -27.644 -4.339 942 HA HIS 127 HA HIS 127 4.760 -27.983 -1.964 943 HD1 HIS 127 HD1 HIS 127 3.201 -31.206 -1.669 944 HD2 HIS 127 HD2 HIS 127 3.725 -29.295 -5.326 945 HE1 HIS 127 HE1 HIS 127 1.014 -31.452 -2.882 946 HE2 HIS 127 HE2 HIS 127 1.327 -30.237 -5.071 947 HB2 HIS 127 HB2 HIS 127 6.026 -30.144 -3.651 948 HB3 HIS 127 HB3 HIS 127 5.539 -30.423 -1.983 949 H HIS 128 H HIS 128 5.902 -28.621 -0.057 950 HA HIS 128 HA HIS 128 8.774 -28.646 -0.050 951 HD1 HIS 128 HD1 HIS 128 8.018 -25.465 3.187 952 HD2 HIS 128 HD2 HIS 128 5.418 -25.880 -0.038 953 HE1 HIS 128 HE1 HIS 128 5.909 -24.277 3.856 954 HE2 HIS 128 HE2 HIS 128 4.282 -24.727 1.984 955 HB2 HIS 128 HB2 HIS 128 9.091 -26.611 1.286 956 HB3 HIS 128 HB3 HIS 128 8.405 -26.228 -0.285 957 H HIS 129 H HIS 129 9.618 -29.349 1.920 958 HA HIS 129 HA HIS 129 7.677 -30.648 3.634 959 HD1 HIS 129 HD1 HIS 129 10.623 -30.725 6.451 960 HD2 HIS 129 HD2 HIS 129 8.575 -33.777 4.513 961 HE1 HIS 129 HE1 HIS 129 10.135 -32.436 8.223 962 HE2 HIS 129 HE2 HIS 129 8.776 -34.215 7.055 963 HB2 HIS 129 HB2 HIS 129 9.776 -31.802 2.955 964 HB3 HIS 129 HB3 HIS 129 10.700 -30.595 3.842 965 H HIS 130 H HIS 130 7.081 -29.995 5.626 966 HA HIS 130 HA HIS 130 7.893 -27.366 6.484 967 HD1 HIS 130 HD1 HIS 130 6.499 -28.328 10.266 968 HD2 HIS 130 HD2 HIS 130 5.488 -25.498 7.390 969 HE1 HIS 130 HE1 HIS 130 6.041 -26.204 11.533 970 HE2 HIS 130 HE2 HIS 130 5.638 -24.459 9.756 971 HB2 HIS 130 HB2 HIS 130 5.535 -28.242 6.681 972 HB3 HIS 130 HB3 HIS 130 6.108 -29.326 7.945 Start of MODEL 19 1 HA MET 1 HA MET 1 -19.283 -7.184 3.579 2 H1 MET 1 H1 MET 1 -22.064 -6.995 4.578 3 H2 MET 1 H2 MET 1 -21.306 -5.832 3.613 4 H3 MET 1 H3 MET 1 -20.710 -6.157 5.163 5 HB2 MET 1 HB2 MET 1 -21.075 -9.207 4.936 6 HB3 MET 1 HB3 MET 1 -19.483 -9.553 4.281 7 HG2 MET 1 HG2 MET 1 -20.048 -7.603 6.499 8 HG3 MET 1 HG3 MET 1 -19.492 -9.261 6.720 9 HE1 MET 1 HE1 MET 1 -16.350 -7.111 7.650 10 HE2 MET 1 HE2 MET 1 -17.520 -8.305 8.214 11 HE3 MET 1 HE3 MET 1 -18.027 -6.642 7.919 12 H SER 2 H SER 2 -20.561 -6.346 1.584 13 HA SER 2 HA SER 2 -21.598 -8.687 0.139 14 HG SER 2 HG SER 2 -22.606 -4.851 -0.800 15 HB2 SER 2 HB2 SER 2 -22.531 -6.965 -1.463 16 HB3 SER 2 HB3 SER 2 -23.240 -6.944 0.151 17 H GLN 3 H GLN 3 -20.049 -5.647 -0.873 18 HA GLN 3 HA GLN 3 -18.197 -7.213 -2.528 19 HB2 GLN 3 HB2 GLN 3 -18.844 -4.257 -2.567 20 HB3 GLN 3 HB3 GLN 3 -17.705 -5.054 -3.645 21 HG2 GLN 3 HG2 GLN 3 -19.575 -6.456 -4.483 22 HG3 GLN 3 HG3 GLN 3 -20.678 -5.502 -3.493 23 HE21 GLN 3 HE21 GLN 3 -18.630 -5.543 -6.287 24 HE22 GLN 3 HE22 GLN 3 -19.208 -4.069 -6.993 25 H TRP 4 H TRP 4 -17.351 -7.684 -0.227 26 HA TRP 4 HA TRP 4 -15.260 -5.712 0.422 27 HD1 TRP 4 HD1 TRP 4 -19.095 -5.988 1.590 28 HE1 TRP 4 HE1 TRP 4 -19.843 -3.610 2.246 29 HE3 TRP 4 HE3 TRP 4 -14.648 -4.215 3.332 30 HZ2 TRP 4 HZ2 TRP 4 -18.685 -1.294 3.370 31 HZ3 TRP 4 HZ3 TRP 4 -14.547 -1.906 4.187 32 HH2 TRP 4 HH2 TRP 4 -16.524 -0.479 4.200 33 HB2 TRP 4 HB2 TRP 4 -16.888 -7.424 2.312 34 HB3 TRP 4 HB3 TRP 4 -15.469 -6.497 2.790 35 H THR 5 H THR 5 -13.230 -6.494 0.744 36 HA THR 5 HA THR 5 -12.868 -9.408 0.455 37 HB THR 5 HB THR 5 -11.065 -7.311 -0.768 38 HG1 THR 5 HG1 THR 5 -13.454 -8.233 -1.606 39 HG21 THR 5 HG21 THR 5 -10.115 -9.199 -1.993 40 HG22 THR 5 HG22 THR 5 -11.240 -10.299 -1.199 41 HG23 THR 5 HG23 THR 5 -9.999 -9.476 -0.254 42 H THR 6 H THR 6 -11.789 -10.262 2.108 43 HA THR 6 HA THR 6 -10.523 -8.731 4.112 44 HB THR 6 HB THR 6 -10.180 -11.684 3.534 45 HG1 THR 6 HG1 THR 6 -12.020 -12.001 4.613 46 HG21 THR 6 HG21 THR 6 -9.623 -11.842 5.923 47 HG22 THR 6 HG22 THR 6 -9.738 -10.087 6.057 48 HG23 THR 6 HG23 THR 6 -8.483 -10.815 5.053 49 H VAL 7 H VAL 7 -8.645 -7.736 3.982 50 HA VAL 7 HA VAL 7 -6.733 -8.189 1.930 51 HB VAL 7 HB VAL 7 -6.357 -6.761 4.573 52 HG11 VAL 7 HG11 VAL 7 -4.245 -7.303 3.517 53 HG12 VAL 7 HG12 VAL 7 -4.555 -5.570 3.407 54 HG13 VAL 7 HG13 VAL 7 -4.800 -6.600 1.997 55 HG21 VAL 7 HG21 VAL 7 -7.159 -5.649 1.886 56 HG22 VAL 7 HG22 VAL 7 -6.865 -4.716 3.354 57 HG23 VAL 7 HG23 VAL 7 -8.222 -5.839 3.279 58 H CYS 8 H CYS 8 -6.471 -8.630 5.430 59 HA CYS 8 HA CYS 8 -5.580 -11.288 5.315 60 HG CYS 8 HG CYS 8 -2.549 -8.183 4.507 61 HB2 CYS 8 HB2 CYS 8 -3.237 -10.819 6.230 62 HB3 CYS 8 HB3 CYS 8 -3.480 -10.556 4.506 63 H LYS 9 H LYS 9 -4.102 -8.989 7.529 64 HA LYS 9 HA LYS 9 -6.240 -9.367 9.482 65 HB2 LYS 9 HB2 LYS 9 -3.354 -9.939 10.186 66 HB3 LYS 9 HB3 LYS 9 -4.743 -10.058 11.254 67 HG2 LYS 9 HG2 LYS 9 -5.599 -11.912 9.843 68 HG3 LYS 9 HG3 LYS 9 -4.105 -11.831 8.904 69 HD2 LYS 9 HD2 LYS 9 -2.894 -12.111 11.136 70 HD3 LYS 9 HD3 LYS 9 -4.463 -12.576 11.794 71 HE2 LYS 9 HE2 LYS 9 -3.233 -14.553 11.185 72 HE3 LYS 9 HE3 LYS 9 -4.606 -14.359 10.096 73 HZ1 LYS 9 HZ1 LYS 9 -2.485 -14.984 8.994 74 HZ2 LYS 9 HZ2 LYS 9 -1.846 -13.470 9.434 75 HZ3 LYS 9 HZ3 LYS 9 -3.180 -13.563 8.386 76 H LEU 10 H LEU 10 -5.770 -7.989 11.454 77 HA LEU 10 HA LEU 10 -4.709 -5.403 10.615 78 HG LEU 10 HG LEU 10 -4.741 -4.212 13.468 79 HB2 LEU 10 HB2 LEU 10 -6.874 -5.481 11.752 80 HB3 LEU 10 HB3 LEU 10 -6.137 -6.269 13.133 81 HD11 LEU 10 HD11 LEU 10 -6.625 -3.057 11.419 82 HD12 LEU 10 HD12 LEU 10 -4.891 -3.308 11.218 83 HD13 LEU 10 HD13 LEU 10 -5.483 -2.143 12.404 84 HD21 LEU 10 HD21 LEU 10 -6.562 -2.920 14.477 85 HD22 LEU 10 HD22 LEU 10 -6.710 -4.645 14.815 86 HD23 LEU 10 HD23 LEU 10 -7.735 -3.894 13.592 87 H ASP 11 H ASP 11 -4.219 -7.772 13.195 88 HA ASP 11 HA ASP 11 -2.088 -6.290 14.424 89 HB2 ASP 11 HB2 ASP 11 -3.438 -7.554 15.913 90 HB3 ASP 11 HB3 ASP 11 -3.313 -9.002 14.921 91 H ASP 12 H ASP 12 -2.419 -8.864 12.149 92 HA ASP 12 HA ASP 12 0.224 -9.899 12.392 93 HB2 ASP 12 HB2 ASP 12 -1.896 -11.039 11.456 94 HB3 ASP 12 HB3 ASP 12 -1.519 -10.192 9.962 95 H ILE 13 H ILE 13 -1.101 -7.139 10.962 96 HA ILE 13 HA ILE 13 1.072 -6.809 9.040 97 HB ILE 13 HB ILE 13 -1.231 -5.002 9.784 98 HG12 ILE 13 HG12 ILE 13 -1.860 -6.954 8.464 99 HG13 ILE 13 HG13 ILE 13 -1.988 -5.495 7.489 100 HG21 ILE 13 HG21 ILE 13 0.936 -4.558 7.735 101 HG22 ILE 13 HG22 ILE 13 0.668 -3.614 9.201 102 HG23 ILE 13 HG23 ILE 13 -0.522 -3.579 7.899 103 HD11 ILE 13 HD11 ILE 13 0.307 -7.442 7.409 104 HD12 ILE 13 HD12 ILE 13 0.106 -6.018 6.388 105 HD13 ILE 13 HD13 ILE 13 -1.019 -7.369 6.249 106 H LEU 14 H LEU 14 2.968 -6.050 9.664 107 HA LEU 14 HA LEU 14 3.530 -5.193 12.270 108 HG LEU 14 HG LEU 14 4.773 -7.198 10.201 109 HB2 LEU 14 HB2 LEU 14 5.138 -4.816 9.743 110 HB3 LEU 14 HB3 LEU 14 5.747 -4.594 11.369 111 HD11 LEU 14 HD11 LEU 14 7.555 -6.270 10.891 112 HD12 LEU 14 HD12 LEU 14 6.904 -6.468 9.264 113 HD13 LEU 14 HD13 LEU 14 7.111 -7.875 10.309 114 HD21 LEU 14 HD21 LEU 14 4.322 -7.085 12.583 115 HD22 LEU 14 HD22 LEU 14 5.983 -6.582 12.893 116 HD23 LEU 14 HD23 LEU 14 5.655 -8.197 12.265 117 HA PRO 15 HA PRO 15 2.100 -0.991 11.966 118 HB2 PRO 15 HB2 PRO 15 3.113 -0.162 14.362 119 HB3 PRO 15 HB3 PRO 15 1.614 -1.082 14.197 120 HG2 PRO 15 HG2 PRO 15 4.351 -2.037 14.924 121 HG3 PRO 15 HG3 PRO 15 2.782 -2.499 15.610 122 HD2 PRO 15 HD2 PRO 15 4.088 -4.045 13.819 123 HD3 PRO 15 HD3 PRO 15 2.317 -3.960 13.887 124 H GLY 16 H GLY 16 2.968 0.980 11.433 125 HA2 GLY 16 HA2 GLY 16 4.604 2.536 10.910 126 HA3 GLY 16 HA3 GLY 16 5.809 1.476 11.632 127 H THR 17 H THR 17 3.496 0.455 9.176 128 HA THR 17 HA THR 17 5.597 0.401 7.146 129 HB THR 17 HB THR 17 4.223 -2.207 7.675 130 HG1 THR 17 HG1 THR 17 5.129 -1.927 9.657 131 HG21 THR 17 HG21 THR 17 6.965 -1.517 6.619 132 HG22 THR 17 HG22 THR 17 5.555 -1.893 5.629 133 HG23 THR 17 HG23 THR 17 6.248 -3.127 6.684 134 H GLY 18 H GLY 18 4.686 -0.724 5.112 135 HA2 GLY 18 HA2 GLY 18 1.829 -0.746 4.785 136 HA3 GLY 18 HA3 GLY 18 2.614 0.611 3.982 137 H VAL 19 H VAL 19 1.691 -2.612 3.661 138 HA VAL 19 HA VAL 19 3.590 -2.989 1.451 139 HB VAL 19 HB VAL 19 3.598 -5.430 1.916 140 HG11 VAL 19 HG11 VAL 19 4.572 -3.676 4.170 141 HG12 VAL 19 HG12 VAL 19 5.437 -4.038 2.677 142 HG13 VAL 19 HG13 VAL 19 5.116 -5.321 3.843 143 HG21 VAL 19 HG21 VAL 19 2.840 -6.233 4.102 144 HG22 VAL 19 HG22 VAL 19 1.503 -5.576 3.158 145 HG23 VAL 19 HG23 VAL 19 2.204 -4.631 4.473 146 H CYS 20 H CYS 20 2.936 -4.234 -0.330 147 HA CYS 20 HA CYS 20 0.140 -4.053 -0.944 148 HG CYS 20 HG CYS 20 3.245 -6.493 -2.005 149 HB2 CYS 20 HB2 CYS 20 0.933 -5.162 -3.104 150 HB3 CYS 20 HB3 CYS 20 1.611 -3.581 -2.731 151 H ALA 21 H ALA 21 -1.309 -5.515 -0.384 152 HA ALA 21 HA ALA 21 -0.471 -8.287 0.100 153 HB1 ALA 21 HB1 ALA 21 -3.058 -6.894 0.785 154 HB2 ALA 21 HB2 ALA 21 -1.723 -7.207 1.893 155 HB3 ALA 21 HB3 ALA 21 -2.635 -8.552 1.210 156 H LEU 22 H LEU 22 -2.241 -9.939 -0.536 157 HA LEU 22 HA LEU 22 -2.604 -9.577 -3.405 158 HG LEU 22 HG LEU 22 -2.206 -13.237 -3.874 159 HB2 LEU 22 HB2 LEU 22 -1.453 -11.587 -2.376 160 HB3 LEU 22 HB3 LEU 22 -3.016 -12.083 -1.773 161 HD11 LEU 22 HD11 LEU 22 -4.391 -13.232 -4.954 162 HD12 LEU 22 HD12 LEU 22 -4.846 -11.799 -4.032 163 HD13 LEU 22 HD13 LEU 22 -4.536 -13.321 -3.198 164 HD21 LEU 22 HD21 LEU 22 -1.252 -11.311 -4.994 165 HD22 LEU 22 HD22 LEU 22 -2.845 -10.561 -5.101 166 HD23 LEU 22 HD23 LEU 22 -2.509 -12.047 -5.989 167 H VAL 23 H VAL 23 -4.449 -8.851 -4.117 168 HA VAL 23 HA VAL 23 -6.945 -9.887 -2.954 169 HB VAL 23 HB VAL 23 -6.541 -7.143 -4.184 170 HG11 VAL 23 HG11 VAL 23 -9.003 -8.347 -2.921 171 HG12 VAL 23 HG12 VAL 23 -8.770 -8.036 -4.642 172 HG13 VAL 23 HG13 VAL 23 -8.843 -6.689 -3.506 173 HG21 VAL 23 HG21 VAL 23 -6.988 -6.274 -1.946 174 HG22 VAL 23 HG22 VAL 23 -5.556 -7.302 -1.961 175 HG23 VAL 23 HG23 VAL 23 -7.079 -7.921 -1.323 176 H GLU 24 H GLU 24 -8.670 -10.160 -4.557 177 HA GLU 24 HA GLU 24 -7.955 -11.848 -6.565 178 HB2 GLU 24 HB2 GLU 24 -10.400 -10.075 -6.545 179 HB3 GLU 24 HB3 GLU 24 -10.208 -11.540 -7.495 180 HG2 GLU 24 HG2 GLU 24 -10.049 -12.847 -5.432 181 HG3 GLU 24 HG3 GLU 24 -10.273 -11.372 -4.491 182 H GLN 25 H GLN 25 -8.549 -8.360 -6.965 183 HA GLN 25 HA GLN 25 -7.950 -8.697 -9.826 184 HB2 GLN 25 HB2 GLN 25 -9.408 -6.692 -10.159 185 HB3 GLN 25 HB3 GLN 25 -10.242 -8.114 -9.545 186 HG2 GLN 25 HG2 GLN 25 -10.100 -7.171 -7.264 187 HG3 GLN 25 HG3 GLN 25 -9.363 -5.720 -7.940 188 HE21 GLN 25 HE21 GLN 25 -12.278 -7.593 -7.649 189 HE22 GLN 25 HE22 GLN 25 -13.362 -6.369 -8.216 190 H GLN 26 H GLN 26 -6.589 -7.426 -7.091 191 HA GLN 26 HA GLN 26 -4.762 -5.755 -8.460 192 HB2 GLN 26 HB2 GLN 26 -6.788 -4.322 -8.603 193 HB3 GLN 26 HB3 GLN 26 -6.891 -4.327 -6.850 194 HG2 GLN 26 HG2 GLN 26 -4.827 -3.117 -6.668 195 HG3 GLN 26 HG3 GLN 26 -4.559 -3.235 -8.408 196 HE21 GLN 26 HE21 GLN 26 -7.696 -2.641 -7.009 197 HE22 GLN 26 HE22 GLN 26 -7.853 -1.005 -7.547 198 H GLN 27 H GLN 27 -3.018 -5.266 -7.157 199 HA GLN 27 HA GLN 27 -2.942 -6.368 -4.509 200 HB2 GLN 27 HB2 GLN 27 -0.943 -4.639 -5.986 201 HB3 GLN 27 HB3 GLN 27 -0.648 -5.395 -4.426 202 HG2 GLN 27 HG2 GLN 27 -0.964 -7.606 -5.475 203 HG3 GLN 27 HG3 GLN 27 -1.153 -6.809 -7.037 204 HE21 GLN 27 HE21 GLN 27 1.049 -7.667 -4.502 205 HE22 GLN 27 HE22 GLN 27 2.508 -7.314 -5.360 206 H ILE 28 H ILE 28 -3.076 -5.292 -2.578 207 HA ILE 28 HA ILE 28 -3.832 -2.462 -2.762 208 HB ILE 28 HB ILE 28 -5.680 -4.008 -2.146 209 HG12 ILE 28 HG12 ILE 28 -4.896 -2.205 0.138 210 HG13 ILE 28 HG13 ILE 28 -5.526 -1.621 -1.397 211 HG21 ILE 28 HG21 ILE 28 -4.356 -5.670 -0.925 212 HG22 ILE 28 HG22 ILE 28 -5.711 -5.076 0.034 213 HG23 ILE 28 HG23 ILE 28 -4.078 -4.496 0.361 214 HD11 ILE 28 HD11 ILE 28 -7.266 -1.718 0.285 215 HD12 ILE 28 HD12 ILE 28 -6.958 -3.437 0.525 216 HD13 ILE 28 HD13 ILE 28 -7.595 -2.862 -1.016 217 H ALA 29 H ALA 29 -2.885 -1.018 -1.390 218 HA ALA 29 HA ALA 29 -0.589 -2.023 0.137 219 HB1 ALA 29 HB1 ALA 29 -1.281 0.795 -0.690 220 HB2 ALA 29 HB2 ALA 29 -0.144 -0.273 -1.512 221 HB3 ALA 29 HB3 ALA 29 0.198 0.288 0.125 222 H VAL 30 H VAL 30 -0.631 -2.091 2.286 223 HA VAL 30 HA VAL 30 -2.942 -0.821 3.617 224 HB VAL 30 HB VAL 30 -1.240 -3.103 4.645 225 HG11 VAL 30 HG11 VAL 30 -2.324 -1.819 6.412 226 HG12 VAL 30 HG12 VAL 30 -3.049 -3.420 6.263 227 HG13 VAL 30 HG13 VAL 30 -3.883 -2.011 5.607 228 HG21 VAL 30 HG21 VAL 30 -2.430 -3.802 2.651 229 HG22 VAL 30 HG22 VAL 30 -3.942 -3.178 3.312 230 HG23 VAL 30 HG23 VAL 30 -3.142 -4.548 4.082 231 H PHE 31 H PHE 31 -2.228 1.148 4.162 232 HA PHE 31 HA PHE 31 0.331 1.641 5.347 233 HD1 PHE 31 HD2 PHE 31 -2.182 2.640 2.738 234 HD2 PHE 31 HD1 PHE 31 0.961 4.860 4.553 235 HE1 PHE 31 HE2 PHE 31 -1.472 3.441 0.525 236 HE2 PHE 31 HE1 PHE 31 1.669 5.674 2.345 237 HZ PHE 31 HZ PHE 31 0.454 4.964 0.326 238 HB2 PHE 31 HB2 PHE 31 -2.175 3.329 5.190 239 HB3 PHE 31 HB3 PHE 31 -0.663 3.890 5.884 240 H ARG 32 H ARG 32 0.771 0.823 7.344 241 HA ARG 32 HA ARG 32 -1.171 1.574 9.422 242 HE ARG 32 HE ARG 32 -1.771 -0.953 13.385 243 HB2 ARG 32 HB2 ARG 32 -0.712 -0.926 9.213 244 HB3 ARG 32 HB3 ARG 32 0.920 -0.571 9.772 245 HG2 ARG 32 HG2 ARG 32 0.074 0.305 11.850 246 HG3 ARG 32 HG3 ARG 32 -1.587 0.116 11.293 247 HD2 ARG 32 HD2 ARG 32 -1.146 -2.349 11.122 248 HD3 ARG 32 HD3 ARG 32 0.407 -2.058 11.909 249 HH11 ARG 32 HH11 ARG 32 -0.055 -3.957 12.767 250 HH12 ARG 32 HH12 ARG 32 -0.534 -4.664 14.280 251 HH21 ARG 32 HH21 ARG 32 -2.395 -1.905 15.350 252 HH22 ARG 32 HH22 ARG 32 -1.866 -3.521 15.731 253 HA PRO 33 HA PRO 33 2.499 4.268 9.613 254 HB2 PRO 33 HB2 PRO 33 0.662 6.276 10.672 255 HB3 PRO 33 HB3 PRO 33 1.631 6.317 9.198 256 HG2 PRO 33 HG2 PRO 33 -1.066 6.090 9.159 257 HG3 PRO 33 HG3 PRO 33 -0.028 5.360 7.921 258 HD2 PRO 33 HD2 PRO 33 -1.346 4.080 10.288 259 HD3 PRO 33 HD3 PRO 33 -1.174 3.471 8.626 260 H ARG 34 H ARG 34 0.052 3.735 12.076 261 HA ARG 34 HA ARG 34 2.092 4.325 14.113 262 HE ARG 34 HE ARG 34 -2.057 6.015 15.179 263 HB2 ARG 34 HB2 ARG 34 -0.886 4.729 14.425 264 HB3 ARG 34 HB3 ARG 34 0.360 5.154 15.588 265 HG2 ARG 34 HG2 ARG 34 1.258 6.787 13.944 266 HG3 ARG 34 HG3 ARG 34 -0.116 6.421 12.899 267 HD2 ARG 34 HD2 ARG 34 -0.147 7.684 15.631 268 HD3 ARG 34 HD3 ARG 34 -0.687 8.382 14.105 269 HH11 ARG 34 HH11 ARG 34 -2.114 9.445 14.439 270 HH12 ARG 34 HH12 ARG 34 -3.843 9.569 14.565 271 HH21 ARG 34 HH21 ARG 34 -4.314 6.169 15.312 272 HH22 ARG 34 HH22 ARG 34 -5.107 7.686 15.012 273 H ASN 35 H ASN 35 1.121 3.336 16.329 274 HA ASN 35 HA ASN 35 1.016 0.470 15.778 275 HB2 ASN 35 HB2 ASN 35 1.472 1.982 18.361 276 HB3 ASN 35 HB3 ASN 35 1.550 0.232 18.187 277 HD21 ASN 35 HD21 ASN 35 3.590 2.091 19.069 278 HD22 ASN 35 HD22 ASN 35 4.926 1.890 17.983 279 H ASP 36 H ASP 36 -1.336 2.284 15.511 280 HA ASP 36 HA ASP 36 -3.041 1.574 17.751 281 HB2 ASP 36 HB2 ASP 36 -3.624 3.204 15.271 282 HB3 ASP 36 HB3 ASP 36 -4.749 2.957 16.601 283 H GLU 37 H GLU 37 -5.459 1.235 16.764 284 HA GLU 37 HA GLU 37 -5.262 -1.396 15.522 285 HB2 GLU 37 HB2 GLU 37 -7.558 -0.076 16.983 286 HB3 GLU 37 HB3 GLU 37 -7.481 -1.755 16.470 287 HG2 GLU 37 HG2 GLU 37 -5.629 -2.171 17.967 288 HG3 GLU 37 HG3 GLU 37 -5.603 -0.476 18.442 289 H GLN 38 H GLN 38 -5.050 1.061 13.958 290 HA GLN 38 HA GLN 38 -7.270 0.526 12.138 291 HB2 GLN 38 HB2 GLN 38 -7.145 3.069 11.580 292 HB3 GLN 38 HB3 GLN 38 -8.094 2.514 12.946 293 HG2 GLN 38 HG2 GLN 38 -6.955 4.426 13.680 294 HG3 GLN 38 HG3 GLN 38 -6.115 3.061 14.403 295 HE21 GLN 38 HE21 GLN 38 -5.963 5.571 11.993 296 HE22 GLN 38 HE22 GLN 38 -4.258 5.500 11.738 297 H VAL 39 H VAL 39 -6.843 0.983 9.919 298 HA VAL 39 HA VAL 39 -4.060 1.487 9.188 299 HB VAL 39 HB VAL 39 -4.089 -0.438 7.579 300 HG11 VAL 39 HG11 VAL 39 -4.281 -1.179 10.494 301 HG12 VAL 39 HG12 VAL 39 -2.839 -0.604 9.656 302 HG13 VAL 39 HG13 VAL 39 -3.547 -2.162 9.229 303 HG21 VAL 39 HG21 VAL 39 -6.478 -0.834 7.478 304 HG22 VAL 39 HG22 VAL 39 -6.498 -1.286 9.182 305 HG23 VAL 39 HG23 VAL 39 -5.644 -2.294 8.013 306 H TYR 40 H TYR 40 -3.828 1.752 6.814 307 HA TYR 40 HA TYR 40 -6.344 2.615 5.554 308 HD1 TYR 40 HD1 TYR 40 -7.068 5.191 5.203 309 HD2 TYR 40 HD2 TYR 40 -3.460 4.977 7.443 310 HE1 TYR 40 HE1 TYR 40 -7.939 6.886 6.755 311 HE2 TYR 40 HE2 TYR 40 -4.316 6.675 9.000 312 HH TYR 40 HH TYR 40 -7.612 7.700 8.973 313 HB2 TYR 40 HB2 TYR 40 -3.605 3.874 5.391 314 HB3 TYR 40 HB3 TYR 40 -4.895 4.240 4.255 315 H ALA 41 H ALA 41 -6.683 0.708 4.456 316 HA ALA 41 HA ALA 41 -4.564 -0.265 2.703 317 HB1 ALA 41 HB1 ALA 41 -5.973 -2.201 2.348 318 HB2 ALA 41 HB2 ALA 41 -7.290 -1.436 3.236 319 HB3 ALA 41 HB3 ALA 41 -5.805 -1.886 4.075 320 H ILE 42 H ILE 42 -4.416 0.968 0.935 321 HA ILE 42 HA ILE 42 -6.876 1.458 -0.616 322 HB ILE 42 HB ILE 42 -6.116 3.682 -1.207 323 HG12 ILE 42 HG12 ILE 42 -3.815 3.257 0.718 324 HG13 ILE 42 HG13 ILE 42 -3.671 3.187 -1.036 325 HG21 ILE 42 HG21 ILE 42 -6.370 4.796 0.966 326 HG22 ILE 42 HG22 ILE 42 -6.096 3.255 1.780 327 HG23 ILE 42 HG23 ILE 42 -7.520 3.475 0.763 328 HD11 ILE 42 HD11 ILE 42 -4.344 5.516 -1.197 329 HD12 ILE 42 HD12 ILE 42 -2.936 5.334 -0.151 330 HD13 ILE 42 HD13 ILE 42 -4.532 5.593 0.555 331 H SER 43 H SER 43 -6.251 2.240 -2.906 332 HA SER 43 HA SER 43 -4.371 0.374 -4.024 333 HG SER 43 HG SER 43 -6.551 -0.136 -5.384 334 HB2 SER 43 HB2 SER 43 -5.902 2.614 -5.372 335 HB3 SER 43 HB3 SER 43 -5.068 1.290 -6.183 336 H ASN 44 H ASN 44 -2.410 0.996 -3.118 337 HA ASN 44 HA ASN 44 -1.223 3.414 -4.292 338 HB2 ASN 44 HB2 ASN 44 -1.824 3.857 -1.924 339 HB3 ASN 44 HB3 ASN 44 -0.829 2.492 -1.434 340 HD21 ASN 44 HD21 ASN 44 -0.841 5.740 -2.663 341 HD22 ASN 44 HD22 ASN 44 0.827 6.075 -2.362 342 H ILE 45 H ILE 45 -0.689 1.537 -5.758 343 HA ILE 45 HA ILE 45 1.783 0.208 -4.821 344 HB ILE 45 HB ILE 45 -0.082 -0.759 -7.006 345 HG12 ILE 45 HG12 ILE 45 -1.245 -0.922 -4.880 346 HG13 ILE 45 HG13 ILE 45 -0.762 -2.529 -5.409 347 HG21 ILE 45 HG21 ILE 45 2.239 -2.112 -5.633 348 HG22 ILE 45 HG22 ILE 45 2.221 -1.488 -7.282 349 HG23 ILE 45 HG23 ILE 45 1.190 -2.849 -6.844 350 HD11 ILE 45 HD11 ILE 45 -0.427 -2.205 -3.016 351 HD12 ILE 45 HD12 ILE 45 0.679 -0.872 -3.354 352 HD13 ILE 45 HD13 ILE 45 1.092 -2.513 -3.857 353 H ASP 46 H ASP 46 3.551 0.328 -6.154 354 HA ASP 46 HA ASP 46 3.342 2.239 -8.364 355 HB2 ASP 46 HB2 ASP 46 5.023 2.799 -6.719 356 HB3 ASP 46 HB3 ASP 46 5.730 1.190 -6.839 357 HA PRO 47 HA PRO 47 3.288 -1.376 -10.994 358 HB2 PRO 47 HB2 PRO 47 3.516 0.638 -13.140 359 HB3 PRO 47 HB3 PRO 47 2.260 -0.572 -12.864 360 HG2 PRO 47 HG2 PRO 47 1.804 2.027 -12.431 361 HG3 PRO 47 HG3 PRO 47 1.101 0.778 -11.386 362 HD2 PRO 47 HD2 PRO 47 3.476 2.541 -10.901 363 HD3 PRO 47 HD3 PRO 47 2.182 2.061 -9.782 364 H PHE 48 H PHE 48 5.732 0.994 -10.753 365 HA PHE 48 HA PHE 48 7.501 -0.159 -12.718 366 HD1 PHE 48 HD1 PHE 48 9.316 1.260 -13.989 367 HD2 PHE 48 HD2 PHE 48 10.071 2.035 -9.874 368 HE1 PHE 48 HE1 PHE 48 11.731 1.348 -14.452 369 HE2 PHE 48 HE2 PHE 48 12.487 2.130 -10.328 370 HZ PHE 48 HZ PHE 48 13.320 1.786 -12.621 371 HB2 PHE 48 HB2 PHE 48 7.567 2.238 -12.332 372 HB3 PHE 48 HB3 PHE 48 7.900 1.989 -10.624 373 H ALA 49 H ALA 49 6.799 -0.627 -9.367 374 HA ALA 49 HA ALA 49 9.206 -2.324 -9.125 375 HB1 ALA 49 HB1 ALA 49 7.858 -0.764 -6.922 376 HB2 ALA 49 HB2 ALA 49 9.384 -0.347 -7.701 377 HB3 ALA 49 HB3 ALA 49 9.259 -1.819 -6.739 378 H GLN 50 H GLN 50 5.844 -2.170 -9.069 379 HA GLN 50 HA GLN 50 4.190 -3.651 -8.699 380 HB2 GLN 50 HB2 GLN 50 6.480 -5.620 -8.643 381 HB3 GLN 50 HB3 GLN 50 4.799 -6.104 -8.501 382 HG2 GLN 50 HG2 GLN 50 5.051 -6.409 -10.720 383 HG3 GLN 50 HG3 GLN 50 4.603 -4.706 -10.747 384 HE21 GLN 50 HE21 GLN 50 6.119 -3.191 -11.381 385 HE22 GLN 50 HE22 GLN 50 7.673 -3.618 -12.014 386 H ALA 51 H ALA 51 5.428 -2.235 -6.500 387 HA ALA 51 HA ALA 51 4.375 -3.831 -4.289 388 HB1 ALA 51 HB1 ALA 51 6.765 -4.402 -4.354 389 HB2 ALA 51 HB2 ALA 51 6.356 -3.482 -2.905 390 HB3 ALA 51 HB3 ALA 51 7.174 -2.691 -4.253 391 H SER 52 H SER 52 4.404 -2.462 -2.254 392 HA SER 52 HA SER 52 3.259 0.103 -2.915 393 HG SER 52 HG SER 52 3.913 -1.343 0.662 394 HB2 SER 52 HB2 SER 52 2.846 0.115 -0.394 395 HB3 SER 52 HB3 SER 52 2.063 -1.174 -1.313 396 H VAL 53 H VAL 53 5.670 0.519 -3.686 397 HA VAL 53 HA VAL 53 7.459 1.303 -1.553 398 HB VAL 53 HB VAL 53 8.980 2.071 -3.288 399 HG11 VAL 53 HG11 VAL 53 7.731 -0.593 -3.943 400 HG12 VAL 53 HG12 VAL 53 8.973 -0.291 -2.730 401 HG13 VAL 53 HG13 VAL 53 9.338 -0.062 -4.440 402 HG21 VAL 53 HG21 VAL 53 8.423 1.904 -5.656 403 HG22 VAL 53 HG22 VAL 53 7.331 3.019 -4.833 404 HG23 VAL 53 HG23 VAL 53 6.786 1.394 -5.248 405 H LEU 54 H LEU 54 4.745 2.584 -2.651 406 HA LEU 54 HA LEU 54 5.563 5.374 -2.260 407 HG LEU 54 HG LEU 54 4.615 3.790 -4.893 408 HB2 LEU 54 HB2 LEU 54 2.907 4.261 -3.186 409 HB3 LEU 54 HB3 LEU 54 3.378 5.948 -3.181 410 HD11 LEU 54 HD11 LEU 54 2.720 6.026 -5.596 411 HD12 LEU 54 HD12 LEU 54 2.345 4.303 -5.576 412 HD13 LEU 54 HD13 LEU 54 3.501 4.941 -6.744 413 HD21 LEU 54 HD21 LEU 54 6.217 5.530 -4.335 414 HD22 LEU 54 HD22 LEU 54 5.072 6.771 -4.841 415 HD23 LEU 54 HD23 LEU 54 5.740 5.651 -6.028 416 H SER 55 H SER 55 4.647 2.781 -0.516 417 HA SER 55 HA SER 55 2.720 4.176 1.192 418 HG SER 55 HG SER 55 1.382 2.632 2.454 419 HB2 SER 55 HB2 SER 55 2.020 1.987 0.295 420 HB3 SER 55 HB3 SER 55 3.416 1.229 1.058 421 H ARG 56 H ARG 56 5.690 2.213 1.423 422 HA ARG 56 HA ARG 56 5.934 2.827 4.236 423 HE ARG 56 HE ARG 56 9.918 0.517 2.736 424 HB2 ARG 56 HB2 ARG 56 6.550 0.582 3.391 425 HB3 ARG 56 HB3 ARG 56 7.834 1.309 2.434 426 HG2 ARG 56 HG2 ARG 56 8.932 2.076 4.477 427 HG3 ARG 56 HG3 ARG 56 7.643 1.355 5.443 428 HD2 ARG 56 HD2 ARG 56 9.673 -0.050 5.313 429 HD3 ARG 56 HD3 ARG 56 8.234 -0.848 4.676 430 HH11 ARG 56 HH11 ARG 56 9.199 -2.496 4.363 431 HH12 ARG 56 HH12 ARG 56 9.758 -3.487 3.044 432 HH21 ARG 56 HH21 ARG 56 10.692 -0.771 1.027 433 HH22 ARG 56 HH22 ARG 56 10.594 -2.506 1.136 434 H GLY 57 H GLY 57 5.881 5.126 3.341 435 HA2 GLY 57 HA2 GLY 57 8.670 6.049 3.026 436 HA3 GLY 57 HA3 GLY 57 7.263 6.936 2.452 437 H ILE 58 H ILE 58 8.032 8.748 3.639 438 HA ILE 58 HA ILE 58 7.884 8.557 6.555 439 HB ILE 58 HB ILE 58 8.554 10.953 4.833 440 HG12 ILE 58 HG12 ILE 58 10.224 9.186 4.544 441 HG13 ILE 58 HG13 ILE 58 10.895 10.536 5.449 442 HG21 ILE 58 HG21 ILE 58 8.874 10.491 7.795 443 HG22 ILE 58 HG22 ILE 58 7.726 11.584 7.021 444 HG23 ILE 58 HG23 ILE 58 9.457 11.901 6.913 445 HD11 ILE 58 HD11 ILE 58 10.560 9.275 7.530 446 HD12 ILE 58 HD12 ILE 58 11.627 8.447 6.397 447 HD13 ILE 58 HD13 ILE 58 9.956 7.913 6.585 448 H VAL 59 H VAL 59 6.120 9.065 7.626 449 HA VAL 59 HA VAL 59 3.832 10.132 6.194 450 HB VAL 59 HB VAL 59 4.118 9.174 9.046 451 HG11 VAL 59 HG11 VAL 59 2.291 10.777 8.839 452 HG12 VAL 59 HG12 VAL 59 1.658 9.149 9.079 453 HG13 VAL 59 HG13 VAL 59 1.637 9.875 7.471 454 HG21 VAL 59 HG21 VAL 59 4.436 7.402 7.393 455 HG22 VAL 59 HG22 VAL 59 2.900 7.827 6.636 456 HG23 VAL 59 HG23 VAL 59 2.927 7.185 8.278 457 H ALA 60 H ALA 60 4.109 12.264 5.861 458 HA ALA 60 HA ALA 60 4.802 13.962 8.162 459 HB1 ALA 60 HB1 ALA 60 5.391 15.667 6.516 460 HB2 ALA 60 HB2 ALA 60 4.917 14.578 5.213 461 HB3 ALA 60 HB3 ALA 60 6.293 14.177 6.241 462 H GLU 61 H GLU 61 3.352 15.395 8.935 463 HA GLU 61 HA GLU 61 0.701 15.356 7.749 464 HB2 GLU 61 HB2 GLU 61 -0.017 16.372 9.824 465 HB3 GLU 61 HB3 GLU 61 0.949 14.954 10.167 466 HG2 GLU 61 HG2 GLU 61 2.196 17.661 10.132 467 HG3 GLU 61 HG3 GLU 61 1.285 17.116 11.534 468 H HIS 62 H HIS 62 -0.435 17.220 7.236 469 HA HIS 62 HA HIS 62 1.066 19.745 7.174 470 HD2 HIS 62 HD2 HIS 62 -1.823 20.990 4.078 471 HE1 HIS 62 HE1 HIS 62 1.684 23.355 3.897 472 HE2 HIS 62 HE2 HIS 62 -0.751 23.188 3.200 473 HB2 HIS 62 HB2 HIS 62 1.152 18.739 4.904 474 HB3 HIS 62 HB3 HIS 62 -0.607 18.701 4.872 475 H GLN 63 H GLN 63 -0.004 20.869 8.624 476 HA GLN 63 HA GLN 63 -1.647 21.991 9.703 477 HB2 GLN 63 HB2 GLN 63 -3.417 21.168 7.394 478 HB3 GLN 63 HB3 GLN 63 -3.859 22.311 8.653 479 HG2 GLN 63 HG2 GLN 63 -1.995 23.763 7.938 480 HG3 GLN 63 HG3 GLN 63 -1.666 22.640 6.619 481 HE21 GLN 63 HE21 GLN 63 -2.090 24.174 5.038 482 HE22 GLN 63 HE22 GLN 63 -3.694 24.736 4.694 483 H ASP 64 H ASP 64 -3.222 19.152 8.245 484 HA ASP 64 HA ASP 64 -3.440 17.885 10.822 485 HB2 ASP 64 HB2 ASP 64 -5.377 19.375 10.917 486 HB3 ASP 64 HB3 ASP 64 -5.946 18.758 9.370 487 H ASP 65 H ASP 65 -3.739 17.886 7.369 488 HA ASP 65 HA ASP 65 -4.646 15.159 7.187 489 HB2 ASP 65 HB2 ASP 65 -4.929 17.104 5.455 490 HB3 ASP 65 HB3 ASP 65 -3.323 16.622 4.922 491 H LEU 66 H LEU 66 -3.208 13.704 5.649 492 HA LEU 66 HA LEU 66 -0.508 13.696 6.807 493 HG LEU 66 HG LEU 66 -2.814 12.759 8.615 494 HB2 LEU 66 HB2 LEU 66 -2.393 11.345 6.623 495 HB3 LEU 66 HB3 LEU 66 -0.705 11.237 7.080 496 HD11 LEU 66 HD11 LEU 66 -1.539 10.079 9.129 497 HD12 LEU 66 HD12 LEU 66 -3.234 10.392 8.752 498 HD13 LEU 66 HD13 LEU 66 -2.549 10.957 10.277 499 HD21 LEU 66 HD21 LEU 66 -1.098 12.894 10.361 500 HD22 LEU 66 HD22 LEU 66 -0.586 13.711 8.885 501 HD23 LEU 66 HD23 LEU 66 0.060 12.118 9.280 502 H TRP 67 H TRP 67 0.939 13.692 5.272 503 HA TRP 67 HA TRP 67 0.275 12.507 2.655 504 HD1 TRP 67 HD1 TRP 67 0.025 15.778 4.639 505 HE1 TRP 67 HE1 TRP 67 -1.520 17.570 3.616 506 HE3 TRP 67 HE3 TRP 67 0.991 14.940 -0.317 507 HZ2 TRP 67 HZ2 TRP 67 -2.207 18.516 1.047 508 HZ3 TRP 67 HZ3 TRP 67 -0.145 16.343 -1.988 509 HH2 TRP 67 HH2 TRP 67 -1.712 18.086 -1.322 510 HB2 TRP 67 HB2 TRP 67 2.349 14.616 3.300 511 HB3 TRP 67 HB3 TRP 67 1.918 14.034 1.699 512 H VAL 68 H VAL 68 1.426 10.751 2.079 513 HA VAL 68 HA VAL 68 3.727 10.010 3.710 514 HB VAL 68 HB VAL 68 2.053 8.278 3.306 515 HG11 VAL 68 HG11 VAL 68 1.761 7.294 1.072 516 HG12 VAL 68 HG12 VAL 68 2.752 8.585 0.391 517 HG13 VAL 68 HG13 VAL 68 1.206 8.966 1.152 518 HG21 VAL 68 HG21 VAL 68 3.548 6.500 2.494 519 HG22 VAL 68 HG22 VAL 68 4.326 7.560 3.669 520 HG23 VAL 68 HG23 VAL 68 4.687 7.730 1.951 521 H ALA 69 H ALA 69 5.766 10.215 3.070 522 HA ALA 69 HA ALA 69 6.283 11.135 0.334 523 HB1 ALA 69 HB1 ALA 69 8.432 11.891 1.171 524 HB2 ALA 69 HB2 ALA 69 8.113 11.138 2.732 525 HB3 ALA 69 HB3 ALA 69 7.135 12.505 2.197 526 H SER 70 H SER 70 6.644 9.528 -1.040 527 HA SER 70 HA SER 70 7.451 6.931 -0.445 528 HG SER 70 HG SER 70 7.728 5.702 -2.809 529 HB2 SER 70 HB2 SER 70 6.395 7.445 -2.550 530 HB3 SER 70 HB3 SER 70 7.708 8.531 -3.002 531 HA PRO 71 HA PRO 71 11.839 7.377 0.233 532 HB2 PRO 71 HB2 PRO 71 12.526 4.771 0.070 533 HB3 PRO 71 HB3 PRO 71 11.670 5.442 1.464 534 HG2 PRO 71 HG2 PRO 71 10.576 3.922 -0.877 535 HG3 PRO 71 HG3 PRO 71 10.201 3.738 0.846 536 HD2 PRO 71 HD2 PRO 71 8.600 5.109 -0.854 537 HD3 PRO 71 HD3 PRO 71 8.770 5.541 0.859 538 H LEU 72 H LEU 72 10.461 5.825 -2.578 539 HA LEU 72 HA LEU 72 13.071 5.865 -3.915 540 HG LEU 72 HG LEU 72 11.649 3.283 -2.841 541 HB2 LEU 72 HB2 LEU 72 10.512 4.451 -4.655 542 HB3 LEU 72 HB3 LEU 72 11.975 4.421 -5.619 543 HD11 LEU 72 HD11 LEU 72 12.101 1.939 -5.501 544 HD12 LEU 72 HD12 LEU 72 10.581 1.969 -4.609 545 HD13 LEU 72 HD13 LEU 72 11.983 1.137 -3.935 546 HD21 LEU 72 HD21 LEU 72 14.061 3.281 -4.654 547 HD22 LEU 72 HD22 LEU 72 13.930 2.470 -3.094 548 HD23 LEU 72 HD23 LEU 72 13.885 4.231 -3.177 549 H LYS 73 H LYS 73 9.668 6.745 -4.512 550 HA LYS 73 HA LYS 73 10.485 8.323 -6.804 551 HB2 LYS 73 HB2 LYS 73 7.849 7.492 -5.671 552 HB3 LYS 73 HB3 LYS 73 7.910 8.909 -6.709 553 HG2 LYS 73 HG2 LYS 73 7.364 7.043 -8.069 554 HG3 LYS 73 HG3 LYS 73 9.023 7.501 -8.444 555 HD2 LYS 73 HD2 LYS 73 9.720 5.703 -6.771 556 HD3 LYS 73 HD3 LYS 73 8.049 5.144 -6.850 557 HE2 LYS 73 HE2 LYS 73 9.969 5.381 -9.165 558 HE3 LYS 73 HE3 LYS 73 9.451 3.885 -8.389 559 HZ1 LYS 73 HZ1 LYS 73 7.236 4.219 -9.178 560 HZ2 LYS 73 HZ2 LYS 73 8.286 4.402 -10.493 561 HZ3 LYS 73 HZ3 LYS 73 7.610 5.767 -9.762 562 H LYS 74 H LYS 74 9.899 8.768 -3.482 563 HA LYS 74 HA LYS 74 10.100 10.542 -2.097 564 HB2 LYS 74 HB2 LYS 74 12.139 10.849 -3.616 565 HB3 LYS 74 HB3 LYS 74 11.212 12.109 -4.417 566 HG2 LYS 74 HG2 LYS 74 11.071 13.371 -2.377 567 HG3 LYS 74 HG3 LYS 74 11.858 12.072 -1.479 568 HD2 LYS 74 HD2 LYS 74 13.874 12.373 -2.869 569 HD3 LYS 74 HD3 LYS 74 13.080 13.718 -3.692 570 HE2 LYS 74 HE2 LYS 74 13.631 13.581 -0.731 571 HE3 LYS 74 HE3 LYS 74 14.619 14.449 -1.902 572 HZ1 LYS 74 HZ1 LYS 74 12.965 15.829 -0.674 573 HZ2 LYS 74 HZ2 LYS 74 11.735 14.998 -1.491 574 HZ3 LYS 74 HZ3 LYS 74 12.852 15.928 -2.363 575 H GLN 75 H GLN 75 7.733 10.211 -3.888 576 HA GLN 75 HA GLN 75 6.764 12.950 -4.124 577 HB2 GLN 75 HB2 GLN 75 6.442 11.412 -6.025 578 HB3 GLN 75 HB3 GLN 75 5.503 10.340 -4.996 579 HG2 GLN 75 HG2 GLN 75 3.776 11.983 -4.764 580 HG3 GLN 75 HG3 GLN 75 4.744 13.185 -5.617 581 HE21 GLN 75 HE21 GLN 75 5.714 11.260 -7.577 582 HE22 GLN 75 HE22 GLN 75 4.383 10.971 -8.645 583 H HIS 76 H HIS 76 4.815 13.628 -3.175 584 HA HIS 76 HA HIS 76 4.235 12.277 -0.628 585 HD1 HIS 76 HD1 HIS 76 5.968 15.913 -1.924 586 HD2 HIS 76 HD2 HIS 76 5.358 14.057 1.755 587 HE1 HIS 76 HE1 HIS 76 8.032 16.387 -0.563 588 HE2 HIS 76 HE2 HIS 76 7.550 15.433 1.719 589 HB2 HIS 76 HB2 HIS 76 3.590 15.082 -1.581 590 HB3 HIS 76 HB3 HIS 76 3.161 14.434 -0.001 591 H PHE 77 H PHE 77 2.414 11.166 -0.393 592 HA PHE 77 HA PHE 77 0.187 11.704 -2.256 593 HD1 PHE 77 HD1 PHE 77 3.205 8.974 -1.851 594 HD2 PHE 77 HD2 PHE 77 -0.126 9.596 -4.425 595 HE1 PHE 77 HE1 PHE 77 4.613 8.435 -3.797 596 HE2 PHE 77 HE2 PHE 77 1.275 9.064 -6.374 597 HZ PHE 77 HZ PHE 77 3.644 8.481 -6.062 598 HB2 PHE 77 HB2 PHE 77 0.949 9.064 -0.984 599 HB3 PHE 77 HB3 PHE 77 -0.426 9.328 -2.047 600 H ARG 78 H ARG 78 -1.731 12.198 -1.370 601 HA ARG 78 HA ARG 78 -2.230 12.396 1.397 602 HE ARG 78 HE ARG 78 -4.514 14.697 2.393 603 HB2 ARG 78 HB2 ARG 78 -4.229 11.999 -0.839 604 HB3 ARG 78 HB3 ARG 78 -4.585 12.620 0.764 605 HG2 ARG 78 HG2 ARG 78 -2.710 13.990 -1.136 606 HG3 ARG 78 HG3 ARG 78 -4.443 14.311 -1.086 607 HD2 ARG 78 HD2 ARG 78 -2.558 14.599 1.243 608 HD3 ARG 78 HD3 ARG 78 -3.123 15.925 0.228 609 HH11 ARG 78 HH11 ARG 78 -4.993 16.245 -0.728 610 HH12 ARG 78 HH12 ARG 78 -6.634 16.709 -0.386 611 HH21 ARG 78 HH21 ARG 78 -6.633 15.387 2.879 612 HH22 ARG 78 HH22 ARG 78 -7.562 16.237 1.673 613 H LEU 79 H LEU 79 -2.878 10.885 2.888 614 HA LEU 79 HA LEU 79 -2.731 8.136 2.163 615 HG LEU 79 HG LEU 79 -1.331 9.919 4.441 616 HB2 LEU 79 HB2 LEU 79 -3.661 9.379 4.750 617 HB3 LEU 79 HB3 LEU 79 -3.343 7.674 4.510 618 HD11 LEU 79 HD11 LEU 79 -2.053 9.191 6.664 619 HD12 LEU 79 HD12 LEU 79 -0.371 8.767 6.349 620 HD13 LEU 79 HD13 LEU 79 -1.626 7.530 6.255 621 HD21 LEU 79 HD21 LEU 79 -0.783 8.303 2.709 622 HD22 LEU 79 HD22 LEU 79 -0.943 6.982 3.867 623 HD23 LEU 79 HD23 LEU 79 0.347 8.170 4.058 624 H TYR 80 H TYR 80 -5.487 9.847 3.696 625 HA TYR 80 HA TYR 80 -7.192 7.733 2.601 626 HD1 TYR 80 HD1 TYR 80 -5.766 9.839 5.807 627 HD2 TYR 80 HD2 TYR 80 -9.827 10.477 4.710 628 HE1 TYR 80 HE1 TYR 80 -5.773 11.947 7.076 629 HE2 TYR 80 HE2 TYR 80 -9.843 12.584 5.969 630 HH TYR 80 HH TYR 80 -8.587 13.551 7.922 631 HB2 TYR 80 HB2 TYR 80 -8.842 8.394 4.297 632 HB3 TYR 80 HB3 TYR 80 -7.299 7.957 5.014 633 H ASP 81 H ASP 81 -6.236 10.094 1.104 634 HA ASP 81 HA ASP 81 -8.865 11.214 0.402 635 HB2 ASP 81 HB2 ASP 81 -7.537 13.001 1.243 636 HB3 ASP 81 HB3 ASP 81 -6.131 12.477 0.323 637 H GLY 82 H GLY 82 -5.659 11.005 -1.178 638 HA2 GLY 82 HA2 GLY 82 -5.570 9.110 -2.858 639 HA3 GLY 82 HA3 GLY 82 -7.053 9.808 -3.482 640 H PHE 83 H PHE 83 -5.841 12.565 -2.866 641 HA PHE 83 HA PHE 83 -4.771 12.913 -5.504 642 HD1 PHE 83 HD1 PHE 83 -5.327 15.511 -6.787 643 HD2 PHE 83 HD2 PHE 83 -7.655 14.424 -3.396 644 HE1 PHE 83 HE1 PHE 83 -7.380 16.048 -8.030 645 HE2 PHE 83 HE2 PHE 83 -9.713 14.953 -4.635 646 HZ PHE 83 HZ PHE 83 -9.576 15.768 -6.956 647 HB2 PHE 83 HB2 PHE 83 -5.291 14.756 -3.202 648 HB3 PHE 83 HB3 PHE 83 -4.328 15.308 -4.569 649 H CYS 84 H CYS 84 -2.744 14.118 -5.908 650 HA CYS 84 HA CYS 84 -0.587 13.181 -4.138 651 HG CYS 84 HG CYS 84 -0.393 10.259 -5.793 652 HB2 CYS 84 HB2 CYS 84 -0.424 13.310 -7.154 653 HB3 CYS 84 HB3 CYS 84 0.739 12.589 -6.049 654 H LEU 85 H LEU 85 1.347 14.503 -4.184 655 HA LEU 85 HA LEU 85 0.671 17.306 -4.560 656 HG LEU 85 HG LEU 85 1.676 18.729 -2.837 657 HB2 LEU 85 HB2 LEU 85 1.862 16.228 -2.517 658 HB3 LEU 85 HB3 LEU 85 3.296 16.275 -3.521 659 HD11 LEU 85 HD11 LEU 85 3.381 19.216 -1.167 660 HD12 LEU 85 HD12 LEU 85 4.163 17.671 -1.504 661 HD13 LEU 85 HD13 LEU 85 2.547 17.706 -0.801 662 HD21 LEU 85 HD21 LEU 85 3.065 18.972 -4.821 663 HD22 LEU 85 HD22 LEU 85 4.468 18.384 -3.932 664 HD23 LEU 85 HD23 LEU 85 3.723 19.919 -3.485 665 H GLU 86 H GLU 86 3.606 15.408 -5.292 666 HA GLU 86 HA GLU 86 4.626 17.314 -7.087 667 HB2 GLU 86 HB2 GLU 86 5.302 14.412 -6.640 668 HB3 GLU 86 HB3 GLU 86 6.180 15.425 -7.771 669 HG2 GLU 86 HG2 GLU 86 7.419 15.326 -5.742 670 HG3 GLU 86 HG3 GLU 86 6.748 16.945 -5.899 671 H ASP 87 H ASP 87 3.092 14.156 -7.746 672 HA ASP 87 HA ASP 87 2.506 15.140 -10.455 673 HB2 ASP 87 HB2 ASP 87 3.614 12.452 -9.661 674 HB3 ASP 87 HB3 ASP 87 2.767 12.693 -11.184 675 H GLY 88 H GLY 88 0.376 15.507 -10.333 676 HA2 GLY 88 HA2 GLY 88 -1.349 13.790 -8.753 677 HA3 GLY 88 HA3 GLY 88 -1.835 15.218 -9.655 678 H ALA 89 H ALA 89 -0.019 12.687 -11.207 679 HA ALA 89 HA ALA 89 -2.220 12.238 -13.039 680 HB1 ALA 89 HB1 ALA 89 -0.625 10.934 -14.335 681 HB2 ALA 89 HB2 ALA 89 0.550 11.046 -13.024 682 HB3 ALA 89 HB3 ALA 89 0.065 12.498 -13.897 683 H TYR 90 H TYR 90 -1.029 10.845 -10.197 684 HA TYR 90 HA TYR 90 -1.840 8.145 -10.787 685 HD1 TYR 90 HD1 TYR 90 0.156 6.364 -9.854 686 HD2 TYR 90 HD2 TYR 90 1.068 10.403 -8.888 687 HE1 TYR 90 HE1 TYR 90 2.473 6.011 -10.593 688 HE2 TYR 90 HE2 TYR 90 3.390 10.060 -9.620 689 HH TYR 90 HH TYR 90 4.353 7.365 -11.437 690 HB2 TYR 90 HB2 TYR 90 -0.998 9.451 -8.189 691 HB3 TYR 90 HB3 TYR 90 -1.319 7.730 -8.386 692 H SER 91 H SER 91 -2.958 10.585 -8.437 693 HA SER 91 HA SER 91 -4.863 10.719 -7.202 694 HG SER 91 HG SER 91 -5.578 9.290 -10.238 695 HB2 SER 91 HB2 SER 91 -6.973 10.735 -8.596 696 HB3 SER 91 HB3 SER 91 -5.697 11.811 -9.159 697 H VAL 92 H VAL 92 -4.324 8.829 -5.998 698 HA VAL 92 HA VAL 92 -5.148 6.242 -6.893 699 HB VAL 92 HB VAL 92 -4.333 5.418 -4.751 700 HG11 VAL 92 HG11 VAL 92 -2.516 7.474 -5.999 701 HG12 VAL 92 HG12 VAL 92 -2.715 5.797 -6.507 702 HG13 VAL 92 HG13 VAL 92 -1.998 6.163 -4.937 703 HG21 VAL 92 HG21 VAL 92 -3.911 8.312 -4.018 704 HG22 VAL 92 HG22 VAL 92 -3.407 6.913 -3.069 705 HG23 VAL 92 HG23 VAL 92 -5.123 7.238 -3.319 706 H ALA 93 H ALA 93 -6.553 4.815 -5.725 707 HA ALA 93 HA ALA 93 -8.963 6.204 -4.845 708 HB1 ALA 93 HB1 ALA 93 -8.570 3.313 -5.611 709 HB2 ALA 93 HB2 ALA 93 -9.177 4.585 -6.670 710 HB3 ALA 93 HB3 ALA 93 -10.107 4.095 -5.253 711 H ALA 94 H ALA 94 -9.253 6.456 -2.757 712 HA ALA 94 HA ALA 94 -8.064 4.546 -0.881 713 HB1 ALA 94 HB1 ALA 94 -7.539 6.892 -0.476 714 HB2 ALA 94 HB2 ALA 94 -8.514 6.241 0.841 715 HB3 ALA 94 HB3 ALA 94 -9.258 7.276 -0.377 716 H TYR 95 H TYR 95 -9.532 2.869 -1.146 717 HA TYR 95 HA TYR 95 -12.349 3.260 -0.993 718 HD1 TYR 95 HD2 TYR 95 -13.487 1.963 -2.898 719 HD2 TYR 95 HD1 TYR 95 -9.450 0.632 -2.754 720 HE1 TYR 95 HE2 TYR 95 -13.393 2.007 -5.354 721 HE2 TYR 95 HE1 TYR 95 -9.342 0.673 -5.209 722 HH TYR 95 HH TYR 95 -11.620 2.244 -7.115 723 HB2 TYR 95 HB2 TYR 95 -10.680 0.751 -0.778 724 HB3 TYR 95 HB3 TYR 95 -12.440 0.770 -0.852 725 H ASP 96 H ASP 96 -13.649 1.927 0.640 726 HA ASP 96 HA ASP 96 -12.891 2.890 3.258 727 HB2 ASP 96 HB2 ASP 96 -15.237 3.092 2.427 728 HB3 ASP 96 HB3 ASP 96 -15.358 1.335 2.461 729 H THR 97 H THR 97 -12.269 1.722 4.935 730 HA THR 97 HA THR 97 -11.937 -1.195 4.586 731 HB THR 97 HB THR 97 -9.800 -1.030 5.781 732 HG1 THR 97 HG1 THR 97 -10.644 1.190 6.706 733 HG21 THR 97 HG21 THR 97 -9.755 -0.816 3.337 734 HG22 THR 97 HG22 THR 97 -8.465 0.120 4.091 735 HG23 THR 97 HG23 THR 97 -9.911 0.932 3.487 736 H GLN 98 H GLN 98 -12.835 -2.345 6.210 737 HA GLN 98 HA GLN 98 -13.390 -0.917 8.727 738 HB2 GLN 98 HB2 GLN 98 -15.359 -2.359 9.024 739 HB3 GLN 98 HB3 GLN 98 -15.469 -1.361 7.586 740 HG2 GLN 98 HG2 GLN 98 -14.826 -3.275 6.211 741 HG3 GLN 98 HG3 GLN 98 -14.721 -4.273 7.659 742 HE21 GLN 98 HE21 GLN 98 -17.064 -3.011 8.889 743 HE22 GLN 98 HE22 GLN 98 -18.436 -3.633 8.038 744 H VAL 99 H VAL 99 -12.880 -1.825 10.580 745 HA VAL 99 HA VAL 99 -11.537 -4.451 10.496 746 HB VAL 99 HB VAL 99 -11.270 -2.297 12.606 747 HG11 VAL 99 HG11 VAL 99 -10.869 -4.547 13.451 748 HG12 VAL 99 HG12 VAL 99 -9.373 -3.614 13.399 749 HG13 VAL 99 HG13 VAL 99 -9.698 -4.830 12.162 750 HG21 VAL 99 HG21 VAL 99 -9.025 -1.919 11.666 751 HG22 VAL 99 HG22 VAL 99 -10.314 -1.512 10.531 752 HG23 VAL 99 HG23 VAL 99 -9.415 -3.019 10.344 753 H THR 100 H THR 100 -13.389 -5.701 10.707 754 HA THR 100 HA THR 100 -15.238 -5.130 12.873 755 HB THR 100 HB THR 100 -16.118 -5.808 10.656 756 HG1 THR 100 HG1 THR 100 -17.014 -6.483 12.929 757 HG21 THR 100 HG21 THR 100 -14.845 -8.473 11.292 758 HG22 THR 100 HG22 THR 100 -14.381 -7.377 9.988 759 HG23 THR 100 HG23 THR 100 -15.960 -8.162 9.965 760 H ASN 101 H ASN 101 -12.579 -7.163 12.180 761 HA ASN 101 HA ASN 101 -12.694 -8.328 14.844 762 HB2 ASN 101 HB2 ASN 101 -12.730 -9.900 12.279 763 HB3 ASN 101 HB3 ASN 101 -11.927 -10.557 13.700 764 HD21 ASN 101 HD21 ASN 101 -14.323 -11.423 12.205 765 HD22 ASN 101 HD22 ASN 101 -15.583 -11.526 13.391 766 H GLY 102 H GLY 102 -10.493 -10.133 14.242 767 HA2 GLY 102 HA2 GLY 102 -8.322 -8.268 14.411 768 HA3 GLY 102 HA3 GLY 102 -8.191 -10.021 14.367 769 H ASN 103 H ASN 103 -10.040 -9.272 11.797 770 HA ASN 103 HA ASN 103 -7.730 -9.064 9.988 771 HB2 ASN 103 HB2 ASN 103 -10.398 -10.439 9.592 772 HB3 ASN 103 HB3 ASN 103 -9.235 -10.185 8.297 773 HD21 ASN 103 HD21 ASN 103 -9.010 -12.398 7.956 774 HD22 ASN 103 HD22 ASN 103 -8.134 -13.410 9.046 775 H VAL 104 H VAL 104 -8.170 -7.931 7.925 776 HA VAL 104 HA VAL 104 -9.902 -5.608 8.447 777 HB VAL 104 HB VAL 104 -7.471 -5.767 6.658 778 HG11 VAL 104 HG11 VAL 104 -7.654 -3.324 6.551 779 HG12 VAL 104 HG12 VAL 104 -9.150 -3.403 7.482 780 HG13 VAL 104 HG13 VAL 104 -9.075 -4.118 5.872 781 HG21 VAL 104 HG21 VAL 104 -7.798 -4.475 9.362 782 HG22 VAL 104 HG22 VAL 104 -6.356 -4.411 8.350 783 HG23 VAL 104 HG23 VAL 104 -6.890 -5.949 9.027 784 H GLN 105 H GLN 105 -11.561 -5.216 7.162 785 HA GLN 105 HA GLN 105 -11.786 -6.657 4.601 786 HB2 GLN 105 HB2 GLN 105 -13.827 -5.509 6.501 787 HB3 GLN 105 HB3 GLN 105 -14.244 -5.921 4.844 788 HG2 GLN 105 HG2 GLN 105 -12.965 -7.939 6.642 789 HG3 GLN 105 HG3 GLN 105 -14.699 -7.623 6.715 790 HE21 GLN 105 HE21 GLN 105 -15.175 -9.709 5.995 791 HE22 GLN 105 HE22 GLN 105 -14.952 -10.178 4.345 792 H ILE 106 H ILE 106 -11.627 -5.523 2.777 793 HA ILE 106 HA ILE 106 -12.053 -2.619 2.870 794 HB ILE 106 HB ILE 106 -10.560 -2.422 0.926 795 HG12 ILE 106 HG12 ILE 106 -9.012 -4.604 0.721 796 HG13 ILE 106 HG13 ILE 106 -10.530 -5.390 1.135 797 HG21 ILE 106 HG21 ILE 106 -9.659 -2.117 3.143 798 HG22 ILE 106 HG22 ILE 106 -8.458 -2.874 2.096 799 HG23 ILE 106 HG23 ILE 106 -9.338 -3.845 3.276 800 HD11 ILE 106 HD11 ILE 106 -10.053 -3.555 -1.200 801 HD12 ILE 106 HD12 ILE 106 -11.596 -4.295 -0.780 802 HD13 ILE 106 HD13 ILE 106 -10.235 -5.309 -1.260 803 H SER 107 H SER 107 -13.264 -1.657 1.191 804 HA SER 107 HA SER 107 -15.141 -3.517 -0.036 805 HG SER 107 HG SER 107 -17.099 -2.485 -0.687 806 HB2 SER 107 HB2 SER 107 -15.986 -1.524 1.193 807 HB3 SER 107 HB3 SER 107 -15.206 -0.489 -0.004 808 H ILE 108 H ILE 108 -15.023 -4.126 -2.068 809 HA ILE 108 HA ILE 108 -13.282 -2.650 -3.901 810 HB ILE 108 HB ILE 108 -13.667 -4.650 -5.426 811 HG12 ILE 108 HG12 ILE 108 -14.687 -5.899 -2.861 812 HG13 ILE 108 HG13 ILE 108 -15.685 -5.503 -4.257 813 HG21 ILE 108 HG21 ILE 108 -11.593 -4.317 -4.227 814 HG22 ILE 108 HG22 ILE 108 -12.012 -6.030 -4.243 815 HG23 ILE 108 HG23 ILE 108 -12.276 -5.071 -2.787 816 HD11 ILE 108 HD11 ILE 108 -15.160 -7.862 -4.224 817 HD12 ILE 108 HD12 ILE 108 -13.435 -7.500 -4.184 818 HD13 ILE 108 HD13 ILE 108 -14.390 -7.088 -5.609 819 H ALA 109 H ALA 109 -14.384 -1.000 -4.768 820 HA ALA 109 HA ALA 109 -17.135 -1.443 -5.661 821 HB1 ALA 109 HB1 ALA 109 -16.700 0.481 -4.186 822 HB2 ALA 109 HB2 ALA 109 -17.341 0.967 -5.754 823 HB3 ALA 109 HB3 ALA 109 -15.621 1.150 -5.410 824 H ASP 110 H ASP 110 -14.561 -2.258 -6.961 825 HA ASP 110 HA ASP 110 -13.690 -2.540 -9.033 826 HB2 ASP 110 HB2 ASP 110 -16.085 -2.828 -9.668 827 HB3 ASP 110 HB3 ASP 110 -16.137 -1.126 -10.093 828 H SER 111 H SER 111 -12.043 -1.518 -9.762 829 HA SER 111 HA SER 111 -11.905 1.386 -9.603 830 HG SER 111 HG SER 111 -10.535 0.270 -7.823 831 HB2 SER 111 HB2 SER 111 -9.687 -0.498 -10.427 832 HB3 SER 111 HB3 SER 111 -9.536 1.143 -9.798 833 H ASP 112 H ASP 112 -10.501 -0.829 -11.965 834 HA ASP 112 HA ASP 112 -12.091 -0.107 -14.178 835 HB2 ASP 112 HB2 ASP 112 -10.763 2.045 -13.823 836 HB3 ASP 112 HB3 ASP 112 -9.319 1.122 -14.225 837 H VAL 113 H VAL 113 -11.191 -2.418 -12.953 838 HA VAL 113 HA VAL 113 -8.720 -3.307 -14.129 839 HB VAL 113 HB VAL 113 -9.212 -3.874 -11.817 840 HG11 VAL 113 HG11 VAL 113 -11.537 -5.441 -12.926 841 HG12 VAL 113 HG12 VAL 113 -11.627 -4.000 -11.914 842 HG13 VAL 113 HG13 VAL 113 -10.974 -5.501 -11.257 843 HG21 VAL 113 HG21 VAL 113 -9.171 -6.299 -13.613 844 HG22 VAL 113 HG22 VAL 113 -8.758 -6.294 -11.900 845 HG23 VAL 113 HG23 VAL 113 -7.769 -5.391 -13.047 846 H ALA 114 H ALA 114 -8.422 -4.679 -15.739 847 HA ALA 114 HA ALA 114 -10.748 -6.096 -16.875 848 HB1 ALA 114 HB1 ALA 114 -9.546 -4.701 -18.493 849 HB2 ALA 114 HB2 ALA 114 -9.365 -6.412 -18.880 850 HB3 ALA 114 HB3 ALA 114 -8.042 -5.538 -18.106 851 H VAL 115 H VAL 115 -10.910 -8.128 -16.155 852 HA VAL 115 HA VAL 115 -8.906 -9.169 -14.432 853 HB VAL 115 HB VAL 115 -11.241 -10.681 -15.558 854 HG11 VAL 115 HG11 VAL 115 -9.666 -11.045 -13.016 855 HG12 VAL 115 HG12 VAL 115 -9.575 -12.069 -14.449 856 HG13 VAL 115 HG13 VAL 115 -11.065 -11.999 -13.507 857 HG21 VAL 115 HG21 VAL 115 -11.131 -8.950 -13.093 858 HG22 VAL 115 HG22 VAL 115 -12.488 -9.966 -13.578 859 HG23 VAL 115 HG23 VAL 115 -12.019 -8.588 -14.573 860 H ASP 116 H ASP 116 -7.076 -9.490 -15.487 861 HA ASP 116 HA ASP 116 -6.966 -11.713 -17.414 862 HB2 ASP 116 HB2 ASP 116 -5.918 -9.394 -17.964 863 HB3 ASP 116 HB3 ASP 116 -4.688 -9.825 -16.783 864 H ASN 117 H ASN 117 -4.209 -12.383 -16.809 865 HA ASN 117 HA ASN 117 -4.691 -13.584 -14.194 866 HB2 ASN 117 HB2 ASN 117 -3.167 -15.244 -14.697 867 HB3 ASN 117 HB3 ASN 117 -3.774 -14.860 -16.299 868 HD21 ASN 117 HD21 ASN 117 -2.416 -13.879 -17.785 869 HD22 ASN 117 HD22 ASN 117 -0.707 -13.732 -17.525 870 H SER 118 H SER 118 -4.080 -12.529 -12.464 871 HA SER 118 HA SER 118 -1.949 -10.548 -12.640 872 HG SER 118 HG SER 118 -4.164 -9.755 -12.595 873 HB2 SER 118 HB2 SER 118 -3.754 -11.217 -10.303 874 HB3 SER 118 HB3 SER 118 -2.721 -9.798 -10.460 875 H GLN 119 H GLN 119 -1.813 -13.643 -12.470 876 HA GLN 119 HA GLN 119 -0.334 -15.192 -11.745 877 HB2 GLN 119 HB2 GLN 119 1.060 -12.757 -10.637 878 HB3 GLN 119 HB3 GLN 119 1.694 -14.383 -10.433 879 HG2 GLN 119 HG2 GLN 119 1.118 -13.133 -13.107 880 HG3 GLN 119 HG3 GLN 119 2.691 -13.089 -12.312 881 HE21 GLN 119 HE21 GLN 119 0.402 -15.043 -14.039 882 HE22 GLN 119 HE22 GLN 119 1.424 -16.431 -14.217 883 HA PRO 120 HA PRO 120 -2.148 -16.016 -7.709 884 HB2 PRO 120 HB2 PRO 120 -0.967 -18.673 -8.133 885 HB3 PRO 120 HB3 PRO 120 -2.660 -18.230 -7.903 886 HG2 PRO 120 HG2 PRO 120 -1.721 -19.081 -10.279 887 HG3 PRO 120 HG3 PRO 120 -3.014 -17.873 -10.153 888 HD2 PRO 120 HD2 PRO 120 -0.094 -17.475 -10.712 889 HD3 PRO 120 HD3 PRO 120 -1.502 -16.691 -11.462 890 H LEU 121 H LEU 121 -0.647 -14.719 -6.603 891 HA LEU 121 HA LEU 121 2.050 -15.765 -6.200 892 HG LEU 121 HG LEU 121 1.236 -13.357 -7.963 893 HB2 LEU 121 HB2 LEU 121 0.826 -13.086 -5.547 894 HB3 LEU 121 HB3 LEU 121 2.492 -13.522 -5.218 895 HD11 LEU 121 HD11 LEU 121 1.514 -11.163 -6.915 896 HD12 LEU 121 HD12 LEU 121 2.644 -11.386 -8.251 897 HD13 LEU 121 HD13 LEU 121 3.207 -11.531 -6.587 898 HD21 LEU 121 HD21 LEU 121 3.010 -15.033 -7.830 899 HD22 LEU 121 HD22 LEU 121 4.096 -13.832 -7.129 900 HD23 LEU 121 HD23 LEU 121 3.514 -13.638 -8.784 901 HA PRO 122 HA PRO 122 0.675 -16.772 -2.039 902 HB2 PRO 122 HB2 PRO 122 2.103 -19.068 -1.867 903 HB3 PRO 122 HB3 PRO 122 0.554 -18.971 -2.709 904 HG2 PRO 122 HG2 PRO 122 3.232 -19.332 -3.813 905 HG3 PRO 122 HG3 PRO 122 1.661 -19.552 -4.599 906 HD2 PRO 122 HD2 PRO 122 3.480 -17.271 -4.717 907 HD3 PRO 122 HD3 PRO 122 2.055 -17.622 -5.717 908 H LEU 123 H LEU 123 2.179 -14.739 -1.769 909 HA LEU 123 HA LEU 123 4.880 -15.263 -0.962 910 HG LEU 123 HG LEU 123 4.879 -11.687 -1.885 911 HB2 LEU 123 HB2 LEU 123 3.058 -12.886 -0.659 912 HB3 LEU 123 HB3 LEU 123 4.628 -12.932 0.118 913 HD11 LEU 123 HD11 LEU 123 5.912 -14.472 -2.375 914 HD12 LEU 123 HD12 LEU 123 6.697 -13.229 -1.401 915 HD13 LEU 123 HD13 LEU 123 6.503 -12.995 -3.138 916 HD21 LEU 123 HD21 LEU 123 4.259 -12.523 -4.087 917 HD22 LEU 123 HD22 LEU 123 2.855 -12.426 -3.023 918 HD23 LEU 123 HD23 LEU 123 3.604 -13.987 -3.352 919 H GLU 124 H GLU 124 5.387 -16.340 0.830 920 HA GLU 124 HA GLU 124 3.402 -16.816 2.834 921 HB2 GLU 124 HB2 GLU 124 5.038 -18.540 2.255 922 HB3 GLU 124 HB3 GLU 124 6.345 -17.504 2.816 923 HG2 GLU 124 HG2 GLU 124 5.720 -17.722 5.053 924 HG3 GLU 124 HG3 GLU 124 4.112 -18.313 4.638 925 H HIS 125 H HIS 125 2.991 -15.703 4.581 926 HA HIS 125 HA HIS 125 4.447 -13.329 5.201 927 HD1 HIS 125 HD1 HIS 125 3.141 -11.082 6.075 928 HD2 HIS 125 HD2 HIS 125 2.393 -13.678 9.233 929 HE1 HIS 125 HE1 HIS 125 3.098 -9.644 8.141 930 HE2 HIS 125 HE2 HIS 125 2.325 -11.205 9.969 931 HB2 HIS 125 HB2 HIS 125 1.999 -13.518 5.495 932 HB3 HIS 125 HB3 HIS 125 2.253 -14.720 6.754 933 H HIS 126 H HIS 126 6.505 -14.461 5.440 934 HA HIS 126 HA HIS 126 6.862 -16.176 7.707 935 HD1 HIS 126 HD1 HIS 126 11.014 -14.489 6.539 936 HD2 HIS 126 HD2 HIS 126 7.780 -14.306 3.923 937 HE1 HIS 126 HE1 HIS 126 11.644 -12.792 4.788 938 HE2 HIS 126 HE2 HIS 126 9.689 -12.720 3.192 939 HB2 HIS 126 HB2 HIS 126 9.267 -16.155 7.098 940 HB3 HIS 126 HB3 HIS 126 8.219 -16.620 5.767 941 H HIS 127 H HIS 127 6.086 -14.799 9.349 942 HA HIS 127 HA HIS 127 8.001 -12.755 10.210 943 HD1 HIS 127 HD1 HIS 127 4.984 -12.556 13.701 944 HD2 HIS 127 HD2 HIS 127 7.961 -10.563 11.576 945 HE1 HIS 127 HE1 HIS 127 5.851 -10.770 15.250 946 HE2 HIS 127 HE2 HIS 127 7.568 -9.504 13.907 947 HB2 HIS 127 HB2 HIS 127 5.557 -12.239 10.344 948 HB3 HIS 127 HB3 HIS 127 5.370 -13.570 11.479 949 H HIS 128 H HIS 128 9.738 -13.866 10.890 950 HA HIS 128 HA HIS 128 9.642 -16.487 11.873 951 HD1 HIS 128 HD1 HIS 128 11.719 -17.603 10.134 952 HD2 HIS 128 HD2 HIS 128 13.217 -16.748 13.922 953 HE1 HIS 128 HE1 HIS 128 13.092 -19.602 10.792 954 HE2 HIS 128 HE2 HIS 128 13.887 -19.123 13.131 955 HB2 HIS 128 HB2 HIS 128 11.609 -15.051 10.858 956 HB3 HIS 128 HB3 HIS 128 11.945 -14.708 12.554 957 H HIS 129 H HIS 129 9.242 -17.302 13.771 958 HA HIS 129 HA HIS 129 9.426 -15.619 16.173 959 HD1 HIS 129 HD1 HIS 129 6.872 -19.160 16.579 960 HD2 HIS 129 HD2 HIS 129 6.049 -16.720 13.299 961 HE1 HIS 129 HE1 HIS 129 5.535 -20.577 14.984 962 HE2 HIS 129 HE2 HIS 129 4.984 -19.067 13.038 963 HB2 HIS 129 HB2 HIS 129 7.250 -16.557 16.964 964 HB3 HIS 129 HB3 HIS 129 7.089 -15.515 15.557 965 H HIS 130 H HIS 130 8.792 -17.192 18.130 966 HA HIS 130 HA HIS 130 10.677 -19.346 18.111 967 HD1 HIS 130 HD1 HIS 130 12.309 -18.839 20.503 968 HD2 HIS 130 HD2 HIS 130 9.193 -16.088 20.770 969 HE1 HIS 130 HE1 HIS 130 13.331 -16.731 21.430 970 HE2 HIS 130 HE2 HIS 130 11.443 -15.054 21.509 971 HB2 HIS 130 HB2 HIS 130 8.536 -18.666 20.149 972 HB3 HIS 130 HB3 HIS 130 9.822 -19.845 20.379 Start of MODEL 20 1 HA MET 1 HA MET 1 -23.173 -5.153 -5.186 2 H1 MET 1 H1 MET 1 -22.447 -7.054 -3.904 3 H2 MET 1 H2 MET 1 -24.092 -6.748 -3.653 4 H3 MET 1 H3 MET 1 -22.959 -6.319 -2.467 5 HB2 MET 1 HB2 MET 1 -24.952 -4.496 -3.546 6 HB3 MET 1 HB3 MET 1 -23.689 -3.873 -2.495 7 HG2 MET 1 HG2 MET 1 -23.057 -2.245 -4.170 8 HG3 MET 1 HG3 MET 1 -24.258 -2.902 -5.284 9 HE1 MET 1 HE1 MET 1 -24.118 0.175 -4.585 10 HE2 MET 1 HE2 MET 1 -25.819 0.555 -4.319 11 HE3 MET 1 HE3 MET 1 -25.348 -0.507 -5.646 12 H SER 2 H SER 2 -21.836 -4.354 -1.972 13 HA SER 2 HA SER 2 -19.233 -3.940 -3.285 14 HG SER 2 HG SER 2 -19.789 -1.421 -3.172 15 HB2 SER 2 HB2 SER 2 -20.208 -2.729 -0.682 16 HB3 SER 2 HB3 SER 2 -18.678 -2.387 -1.489 17 H GLN 3 H GLN 3 -18.391 -5.951 -3.116 18 HA GLN 3 HA GLN 3 -18.949 -7.662 -0.912 19 HB2 GLN 3 HB2 GLN 3 -18.570 -8.504 -3.200 20 HB3 GLN 3 HB3 GLN 3 -16.901 -7.964 -3.112 21 HG2 GLN 3 HG2 GLN 3 -17.144 -10.374 -2.748 22 HG3 GLN 3 HG3 GLN 3 -16.424 -9.546 -1.368 23 HE21 GLN 3 HE21 GLN 3 -17.512 -9.485 0.562 24 HE22 GLN 3 HE22 GLN 3 -18.966 -10.377 0.875 25 H TRP 4 H TRP 4 -18.108 -7.364 1.020 26 HA TRP 4 HA TRP 4 -15.596 -6.169 1.554 27 HD1 TRP 4 HD1 TRP 4 -19.519 -6.447 3.200 28 HE1 TRP 4 HE1 TRP 4 -20.032 -4.032 3.946 29 HE3 TRP 4 HE3 TRP 4 -14.733 -4.800 3.970 30 HZ2 TRP 4 HZ2 TRP 4 -18.594 -1.743 4.738 31 HZ3 TRP 4 HZ3 TRP 4 -14.392 -2.483 4.716 32 HH2 TRP 4 HH2 TRP 4 -16.283 -0.984 5.091 33 HB2 TRP 4 HB2 TRP 4 -17.377 -7.943 3.234 34 HB3 TRP 4 HB3 TRP 4 -15.890 -7.223 3.840 35 H THR 5 H THR 5 -13.806 -7.026 0.749 36 HA THR 5 HA THR 5 -13.510 -9.922 0.622 37 HB THR 5 HB THR 5 -11.424 -9.299 -0.691 38 HG1 THR 5 HG1 THR 5 -12.674 -6.736 -0.713 39 HG21 THR 5 HG21 THR 5 -13.489 -10.025 -1.778 40 HG22 THR 5 HG22 THR 5 -12.692 -8.769 -2.722 41 HG23 THR 5 HG23 THR 5 -14.099 -8.371 -1.736 42 H THR 6 H THR 6 -11.747 -11.001 1.535 43 HA THR 6 HA THR 6 -10.841 -9.777 4.001 44 HB THR 6 HB THR 6 -10.281 -12.551 2.928 45 HG1 THR 6 HG1 THR 6 -12.538 -12.148 3.254 46 HG21 THR 6 HG21 THR 6 -8.721 -11.832 4.680 47 HG22 THR 6 HG22 THR 6 -9.796 -13.101 5.268 48 HG23 THR 6 HG23 THR 6 -10.079 -11.422 5.727 49 H VAL 7 H VAL 7 -9.014 -8.694 4.155 50 HA VAL 7 HA VAL 7 -7.035 -8.813 2.043 51 HB VAL 7 HB VAL 7 -7.030 -7.180 4.591 52 HG11 VAL 7 HG11 VAL 7 -4.813 -7.376 3.635 53 HG12 VAL 7 HG12 VAL 7 -5.433 -5.744 3.381 54 HG13 VAL 7 HG13 VAL 7 -5.426 -6.902 2.051 55 HG21 VAL 7 HG21 VAL 7 -7.824 -5.330 3.190 56 HG22 VAL 7 HG22 VAL 7 -8.982 -6.658 3.252 57 HG23 VAL 7 HG23 VAL 7 -7.968 -6.436 1.825 58 H CYS 8 H CYS 8 -6.378 -8.546 5.496 59 HA CYS 8 HA CYS 8 -5.042 -11.085 5.674 60 HG CYS 8 HG CYS 8 -3.984 -10.434 3.222 61 HB2 CYS 8 HB2 CYS 8 -3.422 -8.522 5.738 62 HB3 CYS 8 HB3 CYS 8 -2.821 -10.094 6.243 63 H LYS 9 H LYS 9 -3.881 -11.186 7.886 64 HA LYS 9 HA LYS 9 -5.592 -10.165 9.945 65 HB2 LYS 9 HB2 LYS 9 -2.927 -11.590 10.091 66 HB3 LYS 9 HB3 LYS 9 -3.937 -11.227 11.481 67 HG2 LYS 9 HG2 LYS 9 -5.661 -12.698 10.675 68 HG3 LYS 9 HG3 LYS 9 -4.779 -12.966 9.170 69 HD2 LYS 9 HD2 LYS 9 -2.970 -14.033 10.382 70 HD3 LYS 9 HD3 LYS 9 -3.764 -13.688 11.917 71 HE2 LYS 9 HE2 LYS 9 -4.086 -16.011 11.251 72 HE3 LYS 9 HE3 LYS 9 -5.616 -15.143 11.295 73 HZ1 LYS 9 HZ1 LYS 9 -5.762 -15.117 8.997 74 HZ2 LYS 9 HZ2 LYS 9 -5.137 -16.663 9.313 75 HZ3 LYS 9 HZ3 LYS 9 -4.113 -15.429 8.770 76 H LEU 10 H LEU 10 -5.308 -8.376 11.199 77 HA LEU 10 HA LEU 10 -3.509 -6.371 10.322 78 HG LEU 10 HG LEU 10 -3.374 -4.687 12.898 79 HB2 LEU 10 HB2 LEU 10 -5.686 -5.915 11.391 80 HB3 LEU 10 HB3 LEU 10 -5.053 -6.519 12.910 81 HD11 LEU 10 HD11 LEU 10 -3.270 -4.300 10.494 82 HD12 LEU 10 HD12 LEU 10 -3.677 -2.817 11.357 83 HD13 LEU 10 HD13 LEU 10 -4.935 -3.716 10.509 84 HD21 LEU 10 HD21 LEU 10 -4.958 -2.902 13.449 85 HD22 LEU 10 HD22 LEU 10 -5.442 -4.450 14.145 86 HD23 LEU 10 HD23 LEU 10 -6.258 -3.835 12.707 87 H ASP 11 H ASP 11 -3.177 -8.945 12.529 88 HA ASP 11 HA ASP 11 -1.146 -7.889 14.210 89 HB2 ASP 11 HB2 ASP 11 -2.419 -9.795 14.961 90 HB3 ASP 11 HB3 ASP 11 -1.959 -10.724 13.541 91 H ASP 12 H ASP 12 -1.214 -9.395 11.088 92 HA ASP 12 HA ASP 12 1.613 -9.898 10.948 93 HB2 ASP 12 HB2 ASP 12 -0.076 -11.209 9.661 94 HB3 ASP 12 HB3 ASP 12 -0.434 -9.766 8.717 95 H ILE 13 H ILE 13 -0.536 -7.274 10.331 96 HA ILE 13 HA ILE 13 1.374 -5.795 8.703 97 HB ILE 13 HB ILE 13 -1.295 -4.901 9.814 98 HG12 ILE 13 HG12 ILE 13 -0.589 -5.930 7.054 99 HG13 ILE 13 HG13 ILE 13 -1.480 -6.837 8.269 100 HG21 ILE 13 HG21 ILE 13 0.204 -3.048 9.262 101 HG22 ILE 13 HG22 ILE 13 -1.160 -3.122 8.145 102 HG23 ILE 13 HG23 ILE 13 0.427 -3.705 7.640 103 HD11 ILE 13 HD11 ILE 13 -2.961 -5.899 6.588 104 HD12 ILE 13 HD12 ILE 13 -2.382 -4.275 6.973 105 HD13 ILE 13 HD13 ILE 13 -3.280 -5.202 8.177 106 H LEU 14 H LEU 14 3.043 -4.906 9.739 107 HA LEU 14 HA LEU 14 3.092 -4.505 12.542 108 HG LEU 14 HG LEU 14 4.898 -6.029 10.538 109 HB2 LEU 14 HB2 LEU 14 4.976 -3.578 10.380 110 HB3 LEU 14 HB3 LEU 14 5.306 -3.476 12.097 111 HD11 LEU 14 HD11 LEU 14 7.266 -6.397 10.927 112 HD12 LEU 14 HD12 LEU 14 7.390 -4.843 11.750 113 HD13 LEU 14 HD13 LEU 14 7.012 -4.903 10.028 114 HD21 LEU 14 HD21 LEU 14 4.111 -6.241 12.829 115 HD22 LEU 14 HD22 LEU 14 5.629 -5.574 13.430 116 HD23 LEU 14 HD23 LEU 14 5.613 -7.135 12.607 117 HA PRO 15 HA PRO 15 1.591 -0.322 12.920 118 HB2 PRO 15 HB2 PRO 15 3.523 -0.051 15.134 119 HB3 PRO 15 HB3 PRO 15 1.764 0.102 15.153 120 HG2 PRO 15 HG2 PRO 15 2.994 -2.014 16.247 121 HG3 PRO 15 HG3 PRO 15 1.433 -2.172 15.413 122 HD2 PRO 15 HD2 PRO 15 4.187 -2.847 14.438 123 HD3 PRO 15 HD3 PRO 15 2.664 -3.737 14.222 124 H GLY 16 H GLY 16 2.195 1.352 11.728 125 HA2 GLY 16 HA2 GLY 16 3.561 3.148 11.110 126 HA3 GLY 16 HA3 GLY 16 4.935 2.336 11.843 127 H THR 17 H THR 17 2.624 1.143 9.394 128 HA THR 17 HA THR 17 4.841 1.028 7.472 129 HB THR 17 HB THR 17 4.205 -1.263 6.793 130 HG1 THR 17 HG1 THR 17 2.784 -1.546 9.220 131 HG21 THR 17 HG21 THR 17 5.012 -0.996 9.691 132 HG22 THR 17 HG22 THR 17 6.092 -0.987 8.297 133 HG23 THR 17 HG23 THR 17 5.199 -2.450 8.710 134 H GLY 18 H GLY 18 3.893 0.034 5.339 135 HA2 GLY 18 HA2 GLY 18 1.130 0.498 4.771 136 HA3 GLY 18 HA3 GLY 18 2.171 1.757 4.104 137 H VAL 19 H VAL 19 1.432 -1.686 4.046 138 HA VAL 19 HA VAL 19 3.299 -1.977 1.797 139 HB VAL 19 HB VAL 19 3.476 -4.365 2.378 140 HG11 VAL 19 HG11 VAL 19 5.122 -2.801 3.255 141 HG12 VAL 19 HG12 VAL 19 4.808 -4.093 4.412 142 HG13 VAL 19 HG13 VAL 19 4.102 -2.495 4.661 143 HG21 VAL 19 HG21 VAL 19 2.615 -5.147 4.546 144 HG22 VAL 19 HG22 VAL 19 1.320 -4.686 3.441 145 HG23 VAL 19 HG23 VAL 19 1.782 -3.607 4.756 146 H CYS 20 H CYS 20 2.784 -3.215 0.015 147 HA CYS 20 HA CYS 20 0.068 -3.236 -0.788 148 HG CYS 20 HG CYS 20 3.173 -5.865 -1.406 149 HB2 CYS 20 HB2 CYS 20 1.017 -4.588 -2.729 150 HB3 CYS 20 HB3 CYS 20 1.694 -2.981 -2.487 151 H ALA 21 H ALA 21 -1.406 -4.591 -0.044 152 HA ALA 21 HA ALA 21 -0.609 -7.309 0.726 153 HB1 ALA 21 HB1 ALA 21 -3.175 -5.824 1.285 154 HB2 ALA 21 HB2 ALA 21 -1.817 -5.985 2.399 155 HB3 ALA 21 HB3 ALA 21 -2.730 -7.414 1.911 156 H LEU 22 H LEU 22 -1.723 -9.112 -0.064 157 HA LEU 22 HA LEU 22 -2.751 -8.739 -2.758 158 HG LEU 22 HG LEU 22 -1.581 -12.145 -3.606 159 HB2 LEU 22 HB2 LEU 22 -0.989 -10.473 -2.050 160 HB3 LEU 22 HB3 LEU 22 -2.315 -11.359 -1.333 161 HD11 LEU 22 HD11 LEU 22 -3.756 -12.752 -2.714 162 HD12 LEU 22 HD12 LEU 22 -3.837 -12.498 -4.458 163 HD13 LEU 22 HD13 LEU 22 -4.449 -11.263 -3.354 164 HD21 LEU 22 HD21 LEU 22 -2.369 -10.876 -5.551 165 HD22 LEU 22 HD22 LEU 22 -1.151 -9.996 -4.627 166 HD23 LEU 22 HD23 LEU 22 -2.854 -9.560 -4.482 167 H VAL 23 H VAL 23 -4.833 -8.154 -2.766 168 HA VAL 23 HA VAL 23 -6.712 -9.715 -1.108 169 HB VAL 23 HB VAL 23 -7.240 -6.959 -2.215 170 HG11 VAL 23 HG11 VAL 23 -9.217 -8.268 -1.677 171 HG12 VAL 23 HG12 VAL 23 -9.028 -6.935 -0.536 172 HG13 VAL 23 HG13 VAL 23 -8.591 -8.575 -0.056 173 HG21 VAL 23 HG21 VAL 23 -6.238 -7.690 0.531 174 HG22 VAL 23 HG22 VAL 23 -6.792 -6.090 0.036 175 HG23 VAL 23 HG23 VAL 23 -5.353 -6.795 -0.702 176 H GLU 24 H GLU 24 -7.310 -11.289 -2.491 177 HA GLU 24 HA GLU 24 -8.372 -12.347 -4.187 178 HB2 GLU 24 HB2 GLU 24 -9.535 -9.642 -4.876 179 HB3 GLU 24 HB3 GLU 24 -10.162 -11.208 -5.365 180 HG2 GLU 24 HG2 GLU 24 -10.019 -10.181 -2.539 181 HG3 GLU 24 HG3 GLU 24 -11.460 -10.210 -3.553 182 H GLN 25 H GLN 25 -8.203 -9.315 -5.984 183 HA GLN 25 HA GLN 25 -6.034 -10.417 -7.651 184 HB2 GLN 25 HB2 GLN 25 -8.503 -8.969 -8.642 185 HB3 GLN 25 HB3 GLN 25 -7.129 -9.417 -9.640 186 HG2 GLN 25 HG2 GLN 25 -7.591 -11.776 -9.220 187 HG3 GLN 25 HG3 GLN 25 -8.965 -11.323 -8.211 188 HE21 GLN 25 HE21 GLN 25 -9.676 -9.085 -9.981 189 HE22 GLN 25 HE22 GLN 25 -10.434 -9.798 -11.359 190 H GLN 26 H GLN 26 -6.774 -8.155 -5.524 191 HA GLN 26 HA GLN 26 -5.793 -5.849 -7.052 192 HB2 GLN 26 HB2 GLN 26 -7.310 -5.965 -4.440 193 HB3 GLN 26 HB3 GLN 26 -6.836 -4.500 -5.282 194 HG2 GLN 26 HG2 GLN 26 -8.689 -6.583 -6.412 195 HG3 GLN 26 HG3 GLN 26 -9.212 -5.115 -5.586 196 HE21 GLN 26 HE21 GLN 26 -8.932 -3.129 -6.593 197 HE22 GLN 26 HE22 GLN 26 -8.614 -2.984 -8.288 198 H GLN 27 H GLN 27 -3.934 -4.852 -6.505 199 HA GLN 27 HA GLN 27 -2.579 -5.683 -4.032 200 HB2 GLN 27 HB2 GLN 27 -1.512 -4.366 -6.534 201 HB3 GLN 27 HB3 GLN 27 -0.571 -4.532 -5.061 202 HG2 GLN 27 HG2 GLN 27 -0.945 -7.011 -5.228 203 HG3 GLN 27 HG3 GLN 27 -1.617 -6.718 -6.832 204 HE21 GLN 27 HE21 GLN 27 1.246 -6.647 -4.868 205 HE22 GLN 27 HE22 GLN 27 2.386 -6.506 -6.158 206 H ILE 28 H ILE 28 -3.443 -4.410 -2.490 207 HA ILE 28 HA ILE 28 -3.461 -1.495 -2.952 208 HB ILE 28 HB ILE 28 -5.259 -3.310 -1.420 209 HG12 ILE 28 HG12 ILE 28 -6.957 -1.662 -2.194 210 HG13 ILE 28 HG13 ILE 28 -5.671 -0.747 -2.968 211 HG21 ILE 28 HG21 ILE 28 -4.362 -1.905 0.358 212 HG22 ILE 28 HG22 ILE 28 -6.055 -1.536 0.038 213 HG23 ILE 28 HG23 ILE 28 -4.789 -0.462 -0.561 214 HD11 ILE 28 HD11 ILE 28 -6.500 -3.557 -3.640 215 HD12 ILE 28 HD12 ILE 28 -5.203 -2.651 -4.420 216 HD13 ILE 28 HD13 ILE 28 -6.874 -2.105 -4.567 217 H ALA 29 H ALA 29 -2.289 -0.199 -1.671 218 HA ALA 29 HA ALA 29 -0.457 -1.395 0.232 219 HB1 ALA 29 HB1 ALA 29 0.370 0.330 -1.286 220 HB2 ALA 29 HB2 ALA 29 0.489 0.868 0.389 221 HB3 ALA 29 HB3 ALA 29 -0.807 1.474 -0.642 222 H VAL 30 H VAL 30 -1.058 -1.716 2.260 223 HA VAL 30 HA VAL 30 -3.300 -0.120 3.329 224 HB VAL 30 HB VAL 30 -2.116 -2.678 4.442 225 HG11 VAL 30 HG11 VAL 30 -3.229 -1.353 6.137 226 HG12 VAL 30 HG12 VAL 30 -4.208 -2.767 5.744 227 HG13 VAL 30 HG13 VAL 30 -4.650 -1.185 5.106 228 HG21 VAL 30 HG21 VAL 30 -3.107 -3.093 2.260 229 HG22 VAL 30 HG22 VAL 30 -4.587 -2.274 2.763 230 HG23 VAL 30 HG23 VAL 30 -4.110 -3.786 3.535 231 H PHE 31 H PHE 31 -2.582 1.632 4.286 232 HA PHE 31 HA PHE 31 -0.062 1.721 5.686 233 HD1 PHE 31 HD2 PHE 31 -2.429 3.489 3.008 234 HD2 PHE 31 HD1 PHE 31 1.261 4.403 4.913 235 HE1 PHE 31 HE2 PHE 31 -1.488 4.165 0.844 236 HE2 PHE 31 HE1 PHE 31 2.210 5.087 2.748 237 HZ PHE 31 HZ PHE 31 0.837 4.966 0.712 238 HB2 PHE 31 HB2 PHE 31 -2.272 3.771 5.420 239 HB3 PHE 31 HB3 PHE 31 -0.723 4.067 6.196 240 H ARG 32 H ARG 32 0.218 1.225 7.758 241 HA ARG 32 HA ARG 32 -2.048 1.685 9.579 242 HE ARG 32 HE ARG 32 -1.945 -0.836 13.849 243 HB2 ARG 32 HB2 ARG 32 -1.383 -0.726 9.440 244 HB3 ARG 32 HB3 ARG 32 0.214 -0.277 10.023 245 HG2 ARG 32 HG2 ARG 32 -0.790 0.572 12.095 246 HG3 ARG 32 HG3 ARG 32 -2.378 0.074 11.513 247 HD2 ARG 32 HD2 ARG 32 -1.626 -2.251 11.445 248 HD3 ARG 32 HD3 ARG 32 -0.034 -1.758 12.018 249 HH11 ARG 32 HH11 ARG 32 -0.600 -3.884 12.719 250 HH12 ARG 32 HH12 ARG 32 -0.928 -4.715 14.210 251 HH21 ARG 32 HH21 ARG 32 -2.330 -1.955 15.820 252 HH22 ARG 32 HH22 ARG 32 -1.885 -3.628 15.951 253 HA PRO 33 HA PRO 33 1.339 4.662 10.436 254 HB2 PRO 33 HB2 PRO 33 -0.170 6.857 10.684 255 HB3 PRO 33 HB3 PRO 33 0.213 6.175 9.101 256 HG2 PRO 33 HG2 PRO 33 -2.291 5.912 10.713 257 HG3 PRO 33 HG3 PRO 33 -2.105 6.211 8.976 258 HD2 PRO 33 HD2 PRO 33 -2.633 3.747 10.053 259 HD3 PRO 33 HD3 PRO 33 -1.806 3.995 8.502 260 H ARG 34 H ARG 34 -1.349 3.593 12.169 261 HA ARG 34 HA ARG 34 -0.295 4.777 14.648 262 HE ARG 34 HE ARG 34 -2.965 6.986 16.216 263 HB2 ARG 34 HB2 ARG 34 -3.177 4.040 14.094 264 HB3 ARG 34 HB3 ARG 34 -2.551 4.809 15.548 265 HG2 ARG 34 HG2 ARG 34 -1.832 6.732 14.091 266 HG3 ARG 34 HG3 ARG 34 -2.745 5.978 12.785 267 HD2 ARG 34 HD2 ARG 34 -4.108 7.656 13.847 268 HD3 ARG 34 HD3 ARG 34 -4.771 6.058 14.193 269 HH11 ARG 34 HH11 ARG 34 -6.272 7.156 15.065 270 HH12 ARG 34 HH12 ARG 34 -6.936 7.474 16.636 271 HH21 ARG 34 HH21 ARG 34 -3.828 7.438 18.275 272 HH22 ARG 34 HH22 ARG 34 -5.540 7.693 18.462 273 H ASN 35 H ASN 35 -0.751 3.458 16.595 274 HA ASN 35 HA ASN 35 0.097 0.773 16.138 275 HB2 ASN 35 HB2 ASN 35 0.897 2.001 18.077 276 HB3 ASN 35 HB3 ASN 35 -0.746 2.186 18.677 277 HD21 ASN 35 HD21 ASN 35 1.922 0.009 18.235 278 HD22 ASN 35 HD22 ASN 35 1.328 -1.245 19.275 279 H ASP 36 H ASP 36 -2.929 2.214 16.221 280 HA ASP 36 HA ASP 36 -4.257 -0.207 17.180 281 HB2 ASP 36 HB2 ASP 36 -4.837 2.110 18.072 282 HB3 ASP 36 HB3 ASP 36 -5.575 2.426 16.505 283 H GLU 37 H GLU 37 -6.728 0.431 15.705 284 HA GLU 37 HA GLU 37 -6.008 -1.153 13.380 285 HB2 GLU 37 HB2 GLU 37 -8.691 -0.404 14.543 286 HB3 GLU 37 HB3 GLU 37 -8.433 -1.540 13.228 287 HG2 GLU 37 HG2 GLU 37 -7.449 -3.123 14.626 288 HG3 GLU 37 HG3 GLU 37 -7.138 -1.940 15.895 289 H GLN 38 H GLN 38 -5.850 1.975 13.729 290 HA GLN 38 HA GLN 38 -7.588 2.941 11.667 291 HB2 GLN 38 HB2 GLN 38 -5.194 4.190 13.020 292 HB3 GLN 38 HB3 GLN 38 -6.127 5.002 11.773 293 HG2 GLN 38 HG2 GLN 38 -6.875 5.811 13.866 294 HG3 GLN 38 HG3 GLN 38 -8.139 4.764 13.226 295 HE21 GLN 38 HE21 GLN 38 -8.650 2.883 14.288 296 HE22 GLN 38 HE22 GLN 38 -8.014 2.483 15.854 297 H VAL 39 H VAL 39 -7.258 1.832 9.804 298 HA VAL 39 HA VAL 39 -4.546 1.913 8.675 299 HB VAL 39 HB VAL 39 -5.190 -0.028 7.286 300 HG11 VAL 39 HG11 VAL 39 -5.185 -1.702 9.111 301 HG12 VAL 39 HG12 VAL 39 -5.468 -0.398 10.267 302 HG13 VAL 39 HG13 VAL 39 -3.977 -0.435 9.322 303 HG21 VAL 39 HG21 VAL 39 -7.211 -1.301 7.830 304 HG22 VAL 39 HG22 VAL 39 -7.603 0.315 7.243 305 HG23 VAL 39 HG23 VAL 39 -7.698 -0.042 8.966 306 H TYR 40 H TYR 40 -4.268 2.348 6.499 307 HA TYR 40 HA TYR 40 -6.576 3.553 5.111 308 HD1 TYR 40 HD1 TYR 40 -6.633 6.550 4.610 309 HD2 TYR 40 HD2 TYR 40 -3.756 5.178 7.430 310 HE1 TYR 40 HE1 TYR 40 -7.311 8.334 6.161 311 HE2 TYR 40 HE2 TYR 40 -4.422 6.963 8.983 312 HH TYR 40 HH TYR 40 -5.506 9.087 8.992 313 HB2 TYR 40 HB2 TYR 40 -3.683 4.443 5.116 314 HB3 TYR 40 HB3 TYR 40 -4.866 5.010 3.946 315 H ALA 41 H ALA 41 -7.116 1.905 3.773 316 HA ALA 41 HA ALA 41 -5.006 0.522 2.312 317 HB1 ALA 41 HB1 ALA 41 -6.773 -1.062 1.673 318 HB2 ALA 41 HB2 ALA 41 -7.953 -0.077 2.539 319 HB3 ALA 41 HB3 ALA 41 -6.653 -0.875 3.424 320 H ILE 42 H ILE 42 -4.388 1.767 0.639 321 HA ILE 42 HA ILE 42 -6.450 2.421 -1.352 322 HB ILE 42 HB ILE 42 -5.169 4.475 -1.956 323 HG12 ILE 42 HG12 ILE 42 -3.771 4.010 0.688 324 HG13 ILE 42 HG13 ILE 42 -3.026 3.812 -0.895 325 HG21 ILE 42 HG21 ILE 42 -6.264 4.408 0.853 326 HG22 ILE 42 HG22 ILE 42 -7.201 4.616 -0.625 327 HG23 ILE 42 HG23 ILE 42 -6.044 5.852 -0.134 328 HD11 ILE 42 HD11 ILE 42 -4.121 6.381 0.222 329 HD12 ILE 42 HD12 ILE 42 -3.357 6.177 -1.355 330 HD13 ILE 42 HD13 ILE 42 -2.417 5.933 0.117 331 H SER 43 H SER 43 -5.644 2.517 -3.538 332 HA SER 43 HA SER 43 -3.737 0.449 -4.067 333 HG SER 43 HG SER 43 -6.409 0.266 -6.150 334 HB2 SER 43 HB2 SER 43 -5.013 2.354 -6.043 335 HB3 SER 43 HB3 SER 43 -4.341 0.759 -6.381 336 H ASN 44 H ASN 44 -2.233 2.184 -2.712 337 HA ASN 44 HA ASN 44 -0.891 3.985 -4.585 338 HB2 ASN 44 HB2 ASN 44 -1.406 4.693 -2.220 339 HB3 ASN 44 HB3 ASN 44 -0.202 3.527 -1.678 340 HD21 ASN 44 HD21 ASN 44 1.115 5.123 -0.799 341 HD22 ASN 44 HD22 ASN 44 2.035 6.204 -1.781 342 H ILE 45 H ILE 45 -0.115 2.326 -5.934 343 HA ILE 45 HA ILE 45 2.246 0.906 -4.880 344 HB ILE 45 HB ILE 45 0.305 -0.148 -6.957 345 HG12 ILE 45 HG12 ILE 45 -0.705 -0.163 -4.722 346 HG13 ILE 45 HG13 ILE 45 -0.367 -1.799 -5.272 347 HG21 ILE 45 HG21 ILE 45 2.698 -1.438 -5.656 348 HG22 ILE 45 HG22 ILE 45 2.565 -0.923 -7.337 349 HG23 ILE 45 HG23 ILE 45 1.565 -2.248 -6.740 350 HD11 ILE 45 HD11 ILE 45 0.173 -1.496 -2.917 351 HD12 ILE 45 HD12 ILE 45 1.313 -0.220 -3.342 352 HD13 ILE 45 HD13 ILE 45 1.610 -1.879 -3.867 353 H ASP 46 H ASP 46 4.036 0.897 -6.227 354 HA ASP 46 HA ASP 46 4.038 2.846 -8.350 355 HB2 ASP 46 HB2 ASP 46 5.942 2.519 -6.728 356 HB3 ASP 46 HB3 ASP 46 6.284 0.996 -7.543 357 HA PRO 47 HA PRO 47 2.847 -0.087 -11.437 358 HB2 PRO 47 HB2 PRO 47 3.933 1.897 -13.332 359 HB3 PRO 47 HB3 PRO 47 2.291 1.267 -13.183 360 HG2 PRO 47 HG2 PRO 47 2.890 3.763 -12.436 361 HG3 PRO 47 HG3 PRO 47 1.714 2.785 -11.537 362 HD2 PRO 47 HD2 PRO 47 4.573 3.386 -10.881 363 HD3 PRO 47 HD3 PRO 47 3.158 3.338 -9.808 364 H PHE 48 H PHE 48 6.064 1.018 -10.954 365 HA PHE 48 HA PHE 48 7.057 -1.016 -12.842 366 HD1 PHE 48 HD1 PHE 48 6.481 2.141 -14.021 367 HD2 PHE 48 HD2 PHE 48 9.946 -0.299 -14.409 368 HE1 PHE 48 HE1 PHE 48 6.407 2.427 -16.465 369 HE2 PHE 48 HE2 PHE 48 9.879 -0.015 -16.852 370 HZ PHE 48 HZ PHE 48 8.107 1.355 -17.885 371 HB2 PHE 48 HB2 PHE 48 8.044 1.671 -12.099 372 HB3 PHE 48 HB3 PHE 48 9.274 0.426 -12.290 373 H ALA 49 H ALA 49 6.211 -1.070 -9.856 374 HA ALA 49 HA ALA 49 8.585 -2.577 -9.000 375 HB1 ALA 49 HB1 ALA 49 8.655 -0.391 -7.901 376 HB2 ALA 49 HB2 ALA 49 8.400 -1.693 -6.739 377 HB3 ALA 49 HB3 ALA 49 7.046 -0.676 -7.236 378 H GLN 50 H GLN 50 5.126 -2.077 -8.816 379 HA GLN 50 HA GLN 50 3.392 -3.341 -8.117 380 HB2 GLN 50 HB2 GLN 50 5.415 -5.526 -8.513 381 HB3 GLN 50 HB3 GLN 50 3.804 -5.870 -7.900 382 HG2 GLN 50 HG2 GLN 50 2.921 -4.696 -9.960 383 HG3 GLN 50 HG3 GLN 50 4.572 -4.754 -10.577 384 HE21 GLN 50 HE21 GLN 50 1.782 -6.623 -9.664 385 HE22 GLN 50 HE22 GLN 50 2.254 -8.080 -10.469 386 H ALA 51 H ALA 51 5.387 -2.186 -6.277 387 HA ALA 51 HA ALA 51 4.381 -3.450 -3.833 388 HB1 ALA 51 HB1 ALA 51 6.653 -4.318 -4.140 389 HB2 ALA 51 HB2 ALA 51 6.581 -3.218 -2.762 390 HB3 ALA 51 HB3 ALA 51 7.270 -2.672 -4.290 391 H SER 52 H SER 52 4.500 -1.957 -2.006 392 HA SER 52 HA SER 52 3.732 0.672 -2.868 393 HG SER 52 HG SER 52 3.902 -0.718 0.864 394 HB2 SER 52 HB2 SER 52 3.386 0.931 -0.315 395 HB3 SER 52 HB3 SER 52 2.351 -0.197 -1.193 396 H VAL 53 H VAL 53 6.081 0.869 -3.693 397 HA VAL 53 HA VAL 53 7.977 1.716 -1.677 398 HB VAL 53 HB VAL 53 9.445 2.341 -3.531 399 HG11 VAL 53 HG11 VAL 53 9.409 0.016 -2.773 400 HG12 VAL 53 HG12 VAL 53 9.751 0.123 -4.501 401 HG13 VAL 53 HG13 VAL 53 8.145 -0.351 -3.949 402 HG21 VAL 53 HG21 VAL 53 7.785 3.195 -5.080 403 HG22 VAL 53 HG22 VAL 53 7.125 1.573 -5.298 404 HG23 VAL 53 HG23 VAL 53 8.758 1.945 -5.851 405 H LEU 54 H LEU 54 5.362 3.047 -3.278 406 HA LEU 54 HA LEU 54 6.139 5.816 -2.926 407 HG LEU 54 HG LEU 54 5.051 4.150 -5.413 408 HB2 LEU 54 HB2 LEU 54 3.453 4.589 -3.590 409 HB3 LEU 54 HB3 LEU 54 3.840 6.296 -3.663 410 HD11 LEU 54 HD11 LEU 54 2.688 4.595 -5.904 411 HD12 LEU 54 HD12 LEU 54 3.748 5.141 -7.202 412 HD13 LEU 54 HD13 LEU 54 3.055 6.311 -6.080 413 HD21 LEU 54 HD21 LEU 54 5.376 7.148 -5.436 414 HD22 LEU 54 HD22 LEU 54 5.990 6.040 -6.665 415 HD23 LEU 54 HD23 LEU 54 6.610 5.959 -5.016 416 H SER 55 H SER 55 5.630 3.494 -0.868 417 HA SER 55 HA SER 55 4.273 5.113 1.153 418 HG SER 55 HG SER 55 1.920 2.652 -0.349 419 HB2 SER 55 HB2 SER 55 3.735 2.157 0.785 420 HB3 SER 55 HB3 SER 55 2.844 3.305 1.781 421 H ARG 56 H ARG 56 7.039 4.565 0.607 422 HA ARG 56 HA ARG 56 7.884 2.259 2.089 423 HE ARG 56 HE ARG 56 13.242 3.066 1.763 424 HB2 ARG 56 HB2 ARG 56 9.033 2.939 0.032 425 HB3 ARG 56 HB3 ARG 56 9.510 4.449 0.793 426 HG2 ARG 56 HG2 ARG 56 10.932 3.291 2.343 427 HG3 ARG 56 HG3 ARG 56 10.351 1.724 1.770 428 HD2 ARG 56 HD2 ARG 56 11.440 1.941 -0.282 429 HD3 ARG 56 HD3 ARG 56 11.636 3.684 -0.097 430 HH11 ARG 56 HH11 ARG 56 12.602 0.839 -0.856 431 HH12 ARG 56 HH12 ARG 56 14.228 0.221 -0.905 432 HH21 ARG 56 HH21 ARG 56 15.386 2.273 1.703 433 HH22 ARG 56 HH22 ARG 56 15.814 1.049 0.549 434 H GLY 57 H GLY 57 6.570 3.516 3.869 435 HA2 GLY 57 HA2 GLY 57 6.994 3.562 6.167 436 HA3 GLY 57 HA3 GLY 57 8.692 3.836 5.830 437 H ILE 58 H ILE 58 8.468 6.170 4.249 438 HA ILE 58 HA ILE 58 8.458 7.997 6.424 439 HB ILE 58 HB ILE 58 8.608 8.693 3.489 440 HG12 ILE 58 HG12 ILE 58 10.861 8.086 5.421 441 HG13 ILE 58 HG13 ILE 58 10.333 7.040 4.107 442 HG21 ILE 58 HG21 ILE 58 9.508 10.180 5.954 443 HG22 ILE 58 HG22 ILE 58 8.147 10.600 4.917 444 HG23 ILE 58 HG23 ILE 58 9.795 10.694 4.292 445 HD11 ILE 58 HD11 ILE 58 11.484 9.801 3.787 446 HD12 ILE 58 HD12 ILE 58 10.990 8.723 2.484 447 HD13 ILE 58 HD13 ILE 58 12.345 8.284 3.524 448 H VAL 59 H VAL 59 6.625 8.462 7.336 449 HA VAL 59 HA VAL 59 4.505 9.561 5.646 450 HB VAL 59 HB VAL 59 3.858 7.439 6.682 451 HG11 VAL 59 HG11 VAL 59 3.504 7.262 9.103 452 HG12 VAL 59 HG12 VAL 59 4.280 8.831 9.320 453 HG13 VAL 59 HG13 VAL 59 5.205 7.472 8.683 454 HG21 VAL 59 HG21 VAL 59 1.737 8.189 7.660 455 HG22 VAL 59 HG22 VAL 59 2.149 9.108 6.213 456 HG23 VAL 59 HG23 VAL 59 2.387 9.823 7.807 457 H ALA 60 H ALA 60 4.249 11.634 5.889 458 HA ALA 60 HA ALA 60 5.174 12.882 8.390 459 HB1 ALA 60 HB1 ALA 60 6.673 13.342 6.504 460 HB2 ALA 60 HB2 ALA 60 5.878 14.807 7.081 461 HB3 ALA 60 HB3 ALA 60 5.319 14.025 5.602 462 H GLU 61 H GLU 61 3.774 14.162 9.425 463 HA GLU 61 HA GLU 61 1.142 14.595 8.358 464 HB2 GLU 61 HB2 GLU 61 1.484 14.263 10.778 465 HB3 GLU 61 HB3 GLU 61 2.474 15.714 10.844 466 HG2 GLU 61 HG2 GLU 61 0.514 17.044 10.164 467 HG3 GLU 61 HG3 GLU 61 -0.463 15.576 10.194 468 H HIS 62 H HIS 62 1.260 15.838 6.566 469 HA HIS 62 HA HIS 62 2.883 18.232 6.540 470 HD2 HIS 62 HD2 HIS 62 0.333 19.723 3.580 471 HE1 HIS 62 HE1 HIS 62 4.223 20.516 2.116 472 HE2 HIS 62 HE2 HIS 62 1.764 21.114 1.919 473 HB2 HIS 62 HB2 HIS 62 2.728 16.791 4.542 474 HB3 HIS 62 HB3 HIS 62 1.005 17.119 4.443 475 H GLN 63 H GLN 63 1.950 19.428 8.127 476 HA GLN 63 HA GLN 63 0.756 21.185 8.875 477 HB2 GLN 63 HB2 GLN 63 -0.638 21.094 6.202 478 HB3 GLN 63 HB3 GLN 63 -0.737 22.407 7.365 479 HG2 GLN 63 HG2 GLN 63 1.688 21.513 5.828 480 HG3 GLN 63 HG3 GLN 63 0.796 23.022 5.643 481 HE21 GLN 63 HE21 GLN 63 1.034 24.638 7.197 482 HE22 GLN 63 HE22 GLN 63 2.346 24.640 8.331 483 H ASP 64 H ASP 64 -1.611 19.197 7.031 484 HA ASP 64 HA ASP 64 -3.358 19.407 9.408 485 HB2 ASP 64 HB2 ASP 64 -4.294 19.303 6.538 486 HB3 ASP 64 HB3 ASP 64 -5.281 19.580 7.968 487 H ASP 65 H ASP 65 -2.178 17.323 6.836 488 HA ASP 65 HA ASP 65 -3.829 15.140 7.935 489 HB2 ASP 65 HB2 ASP 65 -4.529 16.275 5.655 490 HB3 ASP 65 HB3 ASP 65 -3.261 15.250 4.998 491 H LEU 66 H LEU 66 -3.005 13.052 6.428 492 HA LEU 66 HA LEU 66 -0.182 12.821 7.218 493 HG LEU 66 HG LEU 66 -2.556 11.749 8.903 494 HB2 LEU 66 HB2 LEU 66 -2.270 10.705 6.700 495 HB3 LEU 66 HB3 LEU 66 -0.592 10.366 7.074 496 HD11 LEU 66 HD11 LEU 66 -1.345 8.991 8.994 497 HD12 LEU 66 HD12 LEU 66 -3.034 9.385 8.676 498 HD13 LEU 66 HD13 LEU 66 -2.335 9.716 10.261 499 HD21 LEU 66 HD21 LEU 66 -0.800 11.602 10.581 500 HD22 LEU 66 HD22 LEU 66 -0.271 12.570 9.205 501 HD23 LEU 66 HD23 LEU 66 0.301 10.911 9.389 502 H TRP 67 H TRP 67 1.269 12.938 5.669 503 HA TRP 67 HA TRP 67 0.490 12.135 2.943 504 HD1 TRP 67 HD1 TRP 67 -0.143 15.093 5.163 505 HE1 TRP 67 HE1 TRP 67 -1.976 16.670 4.280 506 HE3 TRP 67 HE3 TRP 67 0.904 14.855 0.157 507 HZ2 TRP 67 HZ2 TRP 67 -2.863 17.676 1.802 508 HZ3 TRP 67 HZ3 TRP 67 -0.488 16.158 -1.398 509 HH2 TRP 67 HH2 TRP 67 -2.333 17.536 -0.589 510 HB2 TRP 67 HB2 TRP 67 2.307 14.414 3.760 511 HB3 TRP 67 HB3 TRP 67 1.975 13.923 2.104 512 H VAL 68 H VAL 68 1.638 10.479 2.219 513 HA VAL 68 HA VAL 68 4.046 9.658 3.613 514 HB VAL 68 HB VAL 68 2.316 7.999 2.936 515 HG11 VAL 68 HG11 VAL 68 1.655 8.973 0.814 516 HG12 VAL 68 HG12 VAL 68 2.160 7.297 0.599 517 HG13 VAL 68 HG13 VAL 68 3.243 8.610 0.138 518 HG21 VAL 68 HG21 VAL 68 4.556 7.217 3.371 519 HG22 VAL 68 HG22 VAL 68 5.042 7.597 1.718 520 HG23 VAL 68 HG23 VAL 68 3.865 6.318 2.018 521 H ALA 69 H ALA 69 6.094 9.368 2.613 522 HA ALA 69 HA ALA 69 6.449 10.954 0.150 523 HB1 ALA 69 HB1 ALA 69 7.364 12.122 2.098 524 HB2 ALA 69 HB2 ALA 69 8.643 11.629 0.987 525 HB3 ALA 69 HB3 ALA 69 8.365 10.717 2.470 526 H SER 70 H SER 70 7.425 9.964 -1.496 527 HA SER 70 HA SER 70 8.546 7.297 -1.018 528 HG SER 70 HG SER 70 6.549 9.164 -3.645 529 HB2 SER 70 HB2 SER 70 8.257 7.001 -3.486 530 HB3 SER 70 HB3 SER 70 6.743 7.316 -2.639 531 HA PRO 71 HA PRO 71 12.599 8.895 -1.894 532 HB2 PRO 71 HB2 PRO 71 13.864 6.587 -2.514 533 HB3 PRO 71 HB3 PRO 71 13.388 6.990 -0.860 534 HG2 PRO 71 HG2 PRO 71 12.019 5.210 -2.844 535 HG3 PRO 71 HG3 PRO 71 12.306 4.942 -1.114 536 HD2 PRO 71 HD2 PRO 71 9.923 5.793 -2.093 537 HD3 PRO 71 HD3 PRO 71 10.521 6.250 -0.487 538 H LEU 72 H LEU 72 10.493 7.701 -4.172 539 HA LEU 72 HA LEU 72 12.411 7.933 -6.381 540 HG LEU 72 HG LEU 72 11.130 5.282 -5.144 541 HB2 LEU 72 HB2 LEU 72 9.629 6.761 -6.387 542 HB3 LEU 72 HB3 LEU 72 10.741 6.769 -7.742 543 HD11 LEU 72 HD11 LEU 72 10.509 4.313 -7.928 544 HD12 LEU 72 HD12 LEU 72 9.420 4.285 -6.540 545 HD13 LEU 72 HD13 LEU 72 10.873 3.286 -6.542 546 HD21 LEU 72 HD21 LEU 72 13.079 4.283 -6.258 547 HD22 LEU 72 HD22 LEU 72 13.263 6.023 -6.034 548 HD23 LEU 72 HD23 LEU 72 12.847 5.377 -7.622 549 H LYS 73 H LYS 73 9.042 8.829 -5.588 550 HA LYS 73 HA LYS 73 9.108 10.860 -7.667 551 HB2 LYS 73 HB2 LYS 73 6.926 9.687 -5.967 552 HB3 LYS 73 HB3 LYS 73 6.667 11.203 -6.818 553 HG2 LYS 73 HG2 LYS 73 5.791 9.381 -8.122 554 HG3 LYS 73 HG3 LYS 73 7.184 10.076 -8.946 555 HD2 LYS 73 HD2 LYS 73 8.582 8.239 -8.044 556 HD3 LYS 73 HD3 LYS 73 7.134 7.525 -7.330 557 HE2 LYS 73 HE2 LYS 73 6.143 7.286 -9.538 558 HE3 LYS 73 HE3 LYS 73 7.549 8.057 -10.271 559 HZ1 LYS 73 HZ1 LYS 73 7.700 5.685 -10.505 560 HZ2 LYS 73 HZ2 LYS 73 7.505 5.442 -8.845 561 HZ3 LYS 73 HZ3 LYS 73 8.907 6.197 -9.437 562 H LYS 74 H LYS 74 9.212 10.576 -4.220 563 HA LYS 74 HA LYS 74 10.150 11.946 -2.703 564 HB2 LYS 74 HB2 LYS 74 11.564 12.683 -4.663 565 HB3 LYS 74 HB3 LYS 74 10.475 14.054 -4.825 566 HG2 LYS 74 HG2 LYS 74 11.121 14.954 -2.766 567 HG3 LYS 74 HG3 LYS 74 11.874 13.444 -2.246 568 HD2 LYS 74 HD2 LYS 74 13.528 13.729 -4.102 569 HD3 LYS 74 HD3 LYS 74 12.839 15.328 -4.393 570 HE2 LYS 74 HE2 LYS 74 13.468 16.075 -2.215 571 HE3 LYS 74 HE3 LYS 74 13.945 14.447 -1.737 572 HZ1 LYS 74 HZ1 LYS 74 15.719 14.529 -3.390 573 HZ2 LYS 74 HZ2 LYS 74 15.872 15.781 -2.259 574 HZ3 LYS 74 HZ3 LYS 74 15.274 16.112 -3.813 575 H GLN 75 H GLN 75 7.641 13.357 -4.738 576 HA GLN 75 HA GLN 75 6.896 15.337 -2.829 577 HB2 GLN 75 HB2 GLN 75 5.503 14.187 -5.229 578 HB3 GLN 75 HB3 GLN 75 4.683 15.307 -4.147 579 HG2 GLN 75 HG2 GLN 75 6.628 16.881 -4.527 580 HG3 GLN 75 HG3 GLN 75 7.119 15.800 -5.831 581 HE21 GLN 75 HE21 GLN 75 5.898 15.713 -7.702 582 HE22 GLN 75 HE22 GLN 75 4.681 16.890 -8.085 583 H HIS 76 H HIS 76 4.555 15.332 -1.963 584 HA HIS 76 HA HIS 76 4.452 12.937 -0.283 585 HD1 HIS 76 HD1 HIS 76 5.248 17.113 0.946 586 HD2 HIS 76 HD2 HIS 76 5.517 13.160 2.221 587 HE1 HIS 76 HE1 HIS 76 7.268 17.016 2.438 588 HE2 HIS 76 HE2 HIS 76 7.362 14.645 3.274 589 HB2 HIS 76 HB2 HIS 76 3.382 15.733 0.091 590 HB3 HIS 76 HB3 HIS 76 2.958 14.405 1.165 591 H PHE 77 H PHE 77 2.855 11.512 -0.420 592 HA PHE 77 HA PHE 77 0.515 12.154 -2.074 593 HD1 PHE 77 HD1 PHE 77 3.748 9.929 -1.674 594 HD2 PHE 77 HD2 PHE 77 0.459 9.791 -4.370 595 HE1 PHE 77 HE1 PHE 77 5.302 9.564 -3.546 596 HE2 PHE 77 HE2 PHE 77 2.008 9.428 -6.245 597 HZ PHE 77 HZ PHE 77 4.434 9.316 -5.832 598 HB2 PHE 77 HB2 PHE 77 1.391 9.490 -0.925 599 HB3 PHE 77 HB3 PHE 77 0.072 9.742 -2.059 600 H ARG 78 H ARG 78 -1.349 12.727 -1.072 601 HA ARG 78 HA ARG 78 -1.581 12.554 1.781 602 HE ARG 78 HE ARG 78 -5.819 14.362 3.541 603 HB2 ARG 78 HB2 ARG 78 -2.652 14.368 0.423 604 HB3 ARG 78 HB3 ARG 78 -3.779 13.170 -0.206 605 HG2 ARG 78 HG2 ARG 78 -4.632 12.753 2.021 606 HG3 ARG 78 HG3 ARG 78 -3.453 13.869 2.706 607 HD2 ARG 78 HD2 ARG 78 -4.483 15.695 1.384 608 HD3 ARG 78 HD3 ARG 78 -5.713 14.556 0.829 609 HH11 ARG 78 HH11 ARG 78 -6.062 17.052 1.293 610 HH12 ARG 78 HH12 ARG 78 -7.078 17.990 2.356 611 HH21 ARG 78 HH21 ARG 78 -7.127 15.585 4.918 612 HH22 ARG 78 HH22 ARG 78 -7.695 17.151 4.410 613 H LEU 79 H LEU 79 -2.151 10.833 2.903 614 HA LEU 79 HA LEU 79 -2.663 8.370 1.658 615 HG LEU 79 HG LEU 79 -0.830 9.555 4.094 616 HB2 LEU 79 HB2 LEU 79 -3.153 9.134 4.535 617 HB3 LEU 79 HB3 LEU 79 -3.028 7.500 3.914 618 HD11 LEU 79 HD11 LEU 79 0.219 7.892 5.545 619 HD12 LEU 79 HD12 LEU 79 -1.191 6.846 5.368 620 HD13 LEU 79 HD13 LEU 79 -1.345 8.407 6.175 621 HD21 LEU 79 HD21 LEU 79 0.637 7.889 3.101 622 HD22 LEU 79 HD22 LEU 79 -0.650 8.338 1.984 623 HD23 LEU 79 HD23 LEU 79 -0.737 6.808 2.857 624 H TYR 80 H TYR 80 -4.837 10.835 2.709 625 HA TYR 80 HA TYR 80 -7.096 9.016 2.801 626 HD1 TYR 80 HD2 TYR 80 -8.715 8.945 4.502 627 HD2 TYR 80 HD1 TYR 80 -9.211 12.898 3.016 628 HE1 TYR 80 HE2 TYR 80 -11.138 8.768 4.858 629 HE2 TYR 80 HE1 TYR 80 -11.639 12.730 3.368 630 HH TYR 80 HH TYR 80 -13.054 10.212 5.195 631 HB2 TYR 80 HB2 TYR 80 -6.807 10.884 4.451 632 HB3 TYR 80 HB3 TYR 80 -7.084 12.022 3.136 633 H ASP 81 H ASP 81 -5.472 10.415 0.319 634 HA ASP 81 HA ASP 81 -7.890 10.485 -1.326 635 HB2 ASP 81 HB2 ASP 81 -7.583 12.807 -0.768 636 HB3 ASP 81 HB3 ASP 81 -5.877 12.731 -1.203 637 H GLY 82 H GLY 82 -4.411 11.202 -1.718 638 HA2 GLY 82 HA2 GLY 82 -3.182 9.301 -2.874 639 HA3 GLY 82 HA3 GLY 82 -4.453 9.438 -4.079 640 H PHE 83 H PHE 83 -4.475 12.426 -3.730 641 HA PHE 83 HA PHE 83 -2.819 13.087 -5.850 642 HD1 PHE 83 HD2 PHE 83 -5.648 13.176 -5.901 643 HD2 PHE 83 HD1 PHE 83 -3.482 16.813 -6.347 644 HE1 PHE 83 HE2 PHE 83 -6.887 13.654 -7.969 645 HE2 PHE 83 HE1 PHE 83 -4.720 17.298 -8.418 646 HZ PHE 83 HZ PHE 83 -6.425 15.715 -9.231 647 HB2 PHE 83 HB2 PHE 83 -4.424 14.581 -3.916 648 HB3 PHE 83 HB3 PHE 83 -3.046 15.484 -4.536 649 H CYS 84 H CYS 84 -0.898 14.181 -6.060 650 HA CYS 84 HA CYS 84 1.007 13.400 -3.988 651 HG CYS 84 HG CYS 84 0.132 11.419 -5.923 652 HB2 CYS 84 HB2 CYS 84 1.699 14.264 -6.787 653 HB3 CYS 84 HB3 CYS 84 2.614 13.224 -5.699 654 H LEU 85 H LEU 85 0.036 15.443 -2.937 655 HA LEU 85 HA LEU 85 0.483 17.455 -2.022 656 HG LEU 85 HG LEU 85 2.608 19.572 -2.558 657 HB2 LEU 85 HB2 LEU 85 2.816 16.602 -2.048 658 HB3 LEU 85 HB3 LEU 85 3.048 17.369 -3.608 659 HD11 LEU 85 HD11 LEU 85 2.611 19.758 -0.127 660 HD12 LEU 85 HD12 LEU 85 2.643 18.000 0.017 661 HD13 LEU 85 HD13 LEU 85 1.237 18.802 -0.686 662 HD21 LEU 85 HD21 LEU 85 4.826 17.970 -1.295 663 HD22 LEU 85 HD22 LEU 85 4.746 19.730 -1.396 664 HD23 LEU 85 HD23 LEU 85 4.888 18.767 -2.866 665 H GLU 86 H GLU 86 2.278 18.272 -4.939 666 HA GLU 86 HA GLU 86 0.233 20.307 -5.507 667 HB2 GLU 86 HB2 GLU 86 3.137 20.258 -5.666 668 HB3 GLU 86 HB3 GLU 86 2.402 20.834 -7.157 669 HG2 GLU 86 HG2 GLU 86 2.900 22.687 -5.702 670 HG3 GLU 86 HG3 GLU 86 1.156 22.516 -5.878 671 H ASP 87 H ASP 87 1.351 17.331 -6.588 672 HA ASP 87 HA ASP 87 0.157 17.800 -9.244 673 HB2 ASP 87 HB2 ASP 87 2.382 15.919 -8.444 674 HB3 ASP 87 HB3 ASP 87 1.516 15.777 -9.968 675 H GLY 88 H GLY 88 -0.589 15.591 -10.204 676 HA2 GLY 88 HA2 GLY 88 -1.784 13.904 -8.108 677 HA3 GLY 88 HA3 GLY 88 -2.800 14.561 -9.389 678 H ALA 89 H ALA 89 0.500 13.338 -9.568 679 HA ALA 89 HA ALA 89 0.186 12.058 -12.012 680 HB1 ALA 89 HB1 ALA 89 2.360 12.651 -11.062 681 HB2 ALA 89 HB2 ALA 89 2.308 10.950 -11.527 682 HB3 ALA 89 HB3 ALA 89 2.166 11.407 -9.828 683 H TYR 90 H TYR 90 -0.008 10.706 -8.734 684 HA TYR 90 HA TYR 90 -1.208 8.300 -9.927 685 HD1 TYR 90 HD1 TYR 90 0.351 6.158 -10.257 686 HD2 TYR 90 HD2 TYR 90 2.578 9.032 -8.053 687 HE1 TYR 90 HE1 TYR 90 2.347 5.615 -11.580 688 HE2 TYR 90 HE2 TYR 90 4.586 8.494 -9.367 689 HH TYR 90 HH TYR 90 4.474 6.691 -12.230 690 HB2 TYR 90 HB2 TYR 90 0.405 8.498 -7.373 691 HB3 TYR 90 HB3 TYR 90 -0.380 7.038 -7.969 692 H SER 91 H SER 91 -3.230 9.486 -9.815 693 HA SER 91 HA SER 91 -4.399 9.962 -7.244 694 HG SER 91 HG SER 91 -4.963 11.988 -8.478 695 HB2 SER 91 HB2 SER 91 -5.704 9.684 -9.962 696 HB3 SER 91 HB3 SER 91 -6.495 10.284 -8.503 697 H VAL 92 H VAL 92 -4.395 8.184 -5.999 698 HA VAL 92 HA VAL 92 -5.067 5.591 -7.072 699 HB VAL 92 HB VAL 92 -4.582 4.718 -4.867 700 HG11 VAL 92 HG11 VAL 92 -2.681 5.156 -6.297 701 HG12 VAL 92 HG12 VAL 92 -2.249 5.481 -4.618 702 HG13 VAL 92 HG13 VAL 92 -2.593 6.817 -5.716 703 HG21 VAL 92 HG21 VAL 92 -3.961 6.170 -2.997 704 HG22 VAL 92 HG22 VAL 92 -5.619 6.468 -3.515 705 HG23 VAL 92 HG23 VAL 92 -4.338 7.590 -3.972 706 H ALA 93 H ALA 93 -6.657 4.210 -5.876 707 HA ALA 93 HA ALA 93 -9.123 5.740 -5.479 708 HB1 ALA 93 HB1 ALA 93 -8.722 2.798 -6.011 709 HB2 ALA 93 HB2 ALA 93 -9.206 4.016 -7.192 710 HB3 ALA 93 HB3 ALA 93 -10.278 3.610 -5.852 711 H ALA 94 H ALA 94 -9.942 5.982 -3.528 712 HA ALA 94 HA ALA 94 -8.841 4.475 -1.294 713 HB1 ALA 94 HB1 ALA 94 -10.679 6.871 -1.303 714 HB2 ALA 94 HB2 ALA 94 -8.928 6.920 -1.097 715 HB3 ALA 94 HB3 ALA 94 -9.938 6.138 0.119 716 H TYR 95 H TYR 95 -9.825 2.533 -1.390 717 HA TYR 95 HA TYR 95 -12.694 2.269 -1.637 718 HD1 TYR 95 HD2 TYR 95 -12.933 0.371 -3.779 719 HD2 TYR 95 HD1 TYR 95 -8.900 0.427 -2.430 720 HE1 TYR 95 HE2 TYR 95 -12.155 0.159 -6.103 721 HE2 TYR 95 HE1 TYR 95 -8.114 0.212 -4.747 722 HH TYR 95 HH TYR 95 -10.212 0.589 -7.446 723 HB2 TYR 95 HB2 TYR 95 -10.652 0.171 -0.870 724 HB3 TYR 95 HB3 TYR 95 -12.305 -0.118 -1.393 725 H ASP 96 H ASP 96 -14.071 1.447 0.033 726 HA ASP 96 HA ASP 96 -13.405 2.439 2.642 727 HB2 ASP 96 HB2 ASP 96 -15.736 2.441 1.662 728 HB3 ASP 96 HB3 ASP 96 -15.755 0.699 1.905 729 H THR 97 H THR 97 -12.610 1.378 4.305 730 HA THR 97 HA THR 97 -12.209 -1.547 4.058 731 HB THR 97 HB THR 97 -10.281 0.306 5.453 732 HG1 THR 97 HG1 THR 97 -10.747 0.522 2.941 733 HG21 THR 97 HG21 THR 97 -8.689 -1.505 5.021 734 HG22 THR 97 HG22 THR 97 -9.957 -2.421 4.206 735 HG23 THR 97 HG23 THR 97 -10.087 -2.079 5.931 736 H GLN 98 H GLN 98 -12.012 -2.625 6.138 737 HA GLN 98 HA GLN 98 -12.683 -1.191 8.545 738 HB2 GLN 98 HB2 GLN 98 -14.901 -1.534 7.544 739 HB3 GLN 98 HB3 GLN 98 -14.602 -3.261 7.468 740 HG2 GLN 98 HG2 GLN 98 -14.454 -3.310 9.924 741 HG3 GLN 98 HG3 GLN 98 -14.836 -1.589 9.957 742 HE21 GLN 98 HE21 GLN 98 -16.057 -4.782 9.364 743 HE22 GLN 98 HE22 GLN 98 -17.735 -4.361 9.357 744 H VAL 99 H VAL 99 -12.075 -2.220 10.320 745 HA VAL 99 HA VAL 99 -10.932 -4.930 10.031 746 HB VAL 99 HB VAL 99 -10.278 -2.889 12.172 747 HG11 VAL 99 HG11 VAL 99 -9.928 -5.227 12.812 748 HG12 VAL 99 HG12 VAL 99 -8.403 -4.351 12.682 749 HG13 VAL 99 HG13 VAL 99 -8.897 -5.457 11.399 750 HG21 VAL 99 HG21 VAL 99 -8.169 -2.513 10.993 751 HG22 VAL 99 HG22 VAL 99 -9.550 -2.075 9.985 752 HG23 VAL 99 HG23 VAL 99 -8.697 -3.591 9.699 753 H THR 100 H THR 100 -12.422 -6.343 10.687 754 HA THR 100 HA THR 100 -14.343 -5.554 12.699 755 HB THR 100 HB THR 100 -15.411 -6.632 10.942 756 HG1 THR 100 HG1 THR 100 -15.944 -8.815 11.893 757 HG21 THR 100 HG21 THR 100 -13.348 -8.830 11.070 758 HG22 THR 100 HG22 THR 100 -13.439 -7.565 9.844 759 HG23 THR 100 HG23 THR 100 -14.725 -8.766 9.969 760 H ASN 101 H ASN 101 -12.686 -8.673 12.361 761 HA ASN 101 HA ASN 101 -12.151 -8.556 15.259 762 HB2 ASN 101 HB2 ASN 101 -13.155 -10.847 13.593 763 HB3 ASN 101 HB3 ASN 101 -12.247 -11.152 15.066 764 HD21 ASN 101 HD21 ASN 101 -14.499 -8.489 14.587 765 HD22 ASN 101 HD22 ASN 101 -15.663 -9.033 15.748 766 H GLY 102 H GLY 102 -10.115 -7.556 14.367 767 HA2 GLY 102 HA2 GLY 102 -7.812 -7.863 14.328 768 HA3 GLY 102 HA3 GLY 102 -8.070 -9.600 14.343 769 H ASN 103 H ASN 103 -9.816 -9.547 12.006 770 HA ASN 103 HA ASN 103 -7.758 -9.397 9.965 771 HB2 ASN 103 HB2 ASN 103 -9.348 -10.563 8.525 772 HB3 ASN 103 HB3 ASN 103 -9.217 -11.395 10.069 773 HD21 ASN 103 HD21 ASN 103 -10.980 -11.483 11.428 774 HD22 ASN 103 HD22 ASN 103 -12.567 -10.977 10.939 775 H VAL 104 H VAL 104 -7.910 -8.171 8.101 776 HA VAL 104 HA VAL 104 -9.630 -5.796 8.348 777 HB VAL 104 HB VAL 104 -7.133 -6.132 6.671 778 HG11 VAL 104 HG11 VAL 104 -7.199 -3.696 6.499 779 HG12 VAL 104 HG12 VAL 104 -8.693 -3.667 7.435 780 HG13 VAL 104 HG13 VAL 104 -8.664 -4.427 5.845 781 HG21 VAL 104 HG21 VAL 104 -6.611 -6.309 9.054 782 HG22 VAL 104 HG22 VAL 104 -7.436 -4.779 9.349 783 HG23 VAL 104 HG23 VAL 104 -5.976 -4.816 8.362 784 H GLN 105 H GLN 105 -11.127 -5.368 6.789 785 HA GLN 105 HA GLN 105 -10.982 -6.933 4.298 786 HB2 GLN 105 HB2 GLN 105 -13.530 -6.346 5.816 787 HB3 GLN 105 HB3 GLN 105 -13.391 -7.253 4.316 788 HG2 GLN 105 HG2 GLN 105 -11.926 -8.872 5.598 789 HG3 GLN 105 HG3 GLN 105 -12.467 -8.044 7.057 790 HE21 GLN 105 HE21 GLN 105 -13.327 -10.169 4.485 791 HE22 GLN 105 HE22 GLN 105 -14.873 -10.641 5.103 792 H ILE 106 H ILE 106 -11.741 -5.937 2.451 793 HA ILE 106 HA ILE 106 -12.351 -3.059 2.642 794 HB ILE 106 HB ILE 106 -10.835 -4.484 0.439 795 HG12 ILE 106 HG12 ILE 106 -9.815 -2.492 2.475 796 HG13 ILE 106 HG13 ILE 106 -9.528 -4.229 2.533 797 HG21 ILE 106 HG21 ILE 106 -11.513 -1.573 0.807 798 HG22 ILE 106 HG22 ILE 106 -12.117 -2.655 -0.449 799 HG23 ILE 106 HG23 ILE 106 -10.412 -2.205 -0.415 800 HD11 ILE 106 HD11 ILE 106 -8.611 -2.367 0.355 801 HD12 ILE 106 HD12 ILE 106 -8.309 -4.104 0.427 802 HD13 ILE 106 HD13 ILE 106 -7.606 -3.035 1.643 803 H SER 107 H SER 107 -14.132 -2.362 1.497 804 HA SER 107 HA SER 107 -15.721 -4.417 0.177 805 HG SER 107 HG SER 107 -17.007 -0.791 1.504 806 HB2 SER 107 HB2 SER 107 -17.467 -2.598 0.106 807 HB3 SER 107 HB3 SER 107 -16.938 -3.047 1.729 808 H ILE 108 H ILE 108 -15.350 -4.764 -1.906 809 HA ILE 108 HA ILE 108 -14.896 -2.428 -3.632 810 HB ILE 108 HB ILE 108 -13.535 -3.905 -5.097 811 HG12 ILE 108 HG12 ILE 108 -13.580 -5.780 -2.726 812 HG13 ILE 108 HG13 ILE 108 -14.398 -6.065 -4.257 813 HG21 ILE 108 HG21 ILE 108 -12.458 -2.328 -3.608 814 HG22 ILE 108 HG22 ILE 108 -11.501 -3.805 -3.718 815 HG23 ILE 108 HG23 ILE 108 -12.500 -3.506 -2.297 816 HD11 ILE 108 HD11 ILE 108 -12.327 -7.318 -4.115 817 HD12 ILE 108 HD12 ILE 108 -11.426 -5.823 -3.863 818 HD13 ILE 108 HD13 ILE 108 -12.244 -6.110 -5.398 819 H ALA 109 H ALA 109 -15.700 -2.596 -5.768 820 HA ALA 109 HA ALA 109 -18.096 -4.141 -6.063 821 HB1 ALA 109 HB1 ALA 109 -17.890 -1.906 -7.057 822 HB2 ALA 109 HB2 ALA 109 -18.228 -3.122 -8.286 823 HB3 ALA 109 HB3 ALA 109 -16.594 -2.489 -8.101 824 H ASP 110 H ASP 110 -18.326 -5.375 -8.282 825 HA ASP 110 HA ASP 110 -16.610 -7.607 -8.093 826 HB2 ASP 110 HB2 ASP 110 -17.783 -8.523 -10.003 827 HB3 ASP 110 HB3 ASP 110 -18.935 -7.786 -8.903 828 H SER 111 H SER 111 -14.829 -8.147 -9.078 829 HA SER 111 HA SER 111 -13.775 -6.399 -11.203 830 HG SER 111 HG SER 111 -11.352 -5.899 -10.895 831 HB2 SER 111 HB2 SER 111 -12.561 -6.278 -9.016 832 HB3 SER 111 HB3 SER 111 -12.196 -7.995 -9.162 833 H ASP 112 H ASP 112 -15.499 -8.616 -11.539 834 HA ASP 112 HA ASP 112 -14.025 -10.975 -12.182 835 HB2 ASP 112 HB2 ASP 112 -16.384 -11.081 -11.493 836 HB3 ASP 112 HB3 ASP 112 -16.850 -10.195 -12.943 837 H VAL 113 H VAL 113 -12.427 -10.164 -13.557 838 HA VAL 113 HA VAL 113 -13.342 -9.823 -16.335 839 HB VAL 113 HB VAL 113 -10.836 -8.594 -15.154 840 HG11 VAL 113 HG11 VAL 113 -10.649 -9.037 -17.527 841 HG12 VAL 113 HG12 VAL 113 -10.788 -7.300 -17.250 842 HG13 VAL 113 HG13 VAL 113 -12.181 -8.215 -17.825 843 HG21 VAL 113 HG21 VAL 113 -13.460 -7.252 -15.802 844 HG22 VAL 113 HG22 VAL 113 -11.977 -6.432 -15.310 845 HG23 VAL 113 HG23 VAL 113 -12.798 -7.520 -14.188 846 H ALA 114 H ALA 114 -11.934 -10.817 -17.922 847 HA ALA 114 HA ALA 114 -10.851 -13.296 -17.023 848 HB1 ALA 114 HB1 ALA 114 -10.642 -12.043 -19.758 849 HB2 ALA 114 HB2 ALA 114 -11.977 -13.049 -19.198 850 HB3 ALA 114 HB3 ALA 114 -10.359 -13.735 -19.351 851 H VAL 115 H VAL 115 -9.247 -12.578 -15.561 852 HA VAL 115 HA VAL 115 -6.751 -11.710 -16.867 853 HB VAL 115 HB VAL 115 -7.507 -11.223 -13.978 854 HG11 VAL 115 HG11 VAL 115 -5.579 -9.711 -13.979 855 HG12 VAL 115 HG12 VAL 115 -5.224 -10.170 -15.646 856 HG13 VAL 115 HG13 VAL 115 -5.111 -11.369 -14.358 857 HG21 VAL 115 HG21 VAL 115 -7.802 -8.868 -14.586 858 HG22 VAL 115 HG22 VAL 115 -8.960 -9.906 -15.416 859 HG23 VAL 115 HG23 VAL 115 -7.558 -9.280 -16.285 860 H ASP 116 H ASP 116 -5.157 -13.166 -16.788 861 HA ASP 116 HA ASP 116 -5.466 -15.503 -15.071 862 HB2 ASP 116 HB2 ASP 116 -3.757 -16.536 -16.406 863 HB3 ASP 116 HB3 ASP 116 -4.881 -15.745 -17.504 864 H ASN 117 H ASN 117 -3.205 -16.334 -14.215 865 HA ASN 117 HA ASN 117 -1.947 -14.038 -12.873 866 HB2 ASN 117 HB2 ASN 117 -1.608 -15.394 -10.897 867 HB3 ASN 117 HB3 ASN 117 -3.312 -15.435 -11.330 868 HD21 ASN 117 HD21 ASN 117 -4.201 -17.344 -12.116 869 HD22 ASN 117 HD22 ASN 117 -3.401 -18.872 -11.948 870 H SER 118 H SER 118 0.180 -13.832 -13.039 871 HA SER 118 HA SER 118 1.652 -15.937 -14.443 872 HG SER 118 HG SER 118 1.863 -12.694 -16.034 873 HB2 SER 118 HB2 SER 118 2.491 -13.080 -13.891 874 HB3 SER 118 HB3 SER 118 3.285 -14.222 -14.976 875 H GLN 119 H GLN 119 1.202 -14.569 -11.384 876 HA GLN 119 HA GLN 119 3.629 -15.899 -10.372 877 HB2 GLN 119 HB2 GLN 119 2.250 -13.429 -9.299 878 HB3 GLN 119 HB3 GLN 119 3.574 -14.262 -8.497 879 HG2 GLN 119 HG2 GLN 119 5.053 -13.749 -10.341 880 HG3 GLN 119 HG3 GLN 119 3.727 -12.989 -11.220 881 HE21 GLN 119 HE21 GLN 119 2.973 -10.987 -10.566 882 HE22 GLN 119 HE22 GLN 119 3.870 -9.973 -9.483 883 HA PRO 120 HA PRO 120 0.634 -18.512 -8.333 884 HB2 PRO 120 HB2 PRO 120 2.984 -19.313 -6.726 885 HB3 PRO 120 HB3 PRO 120 1.907 -20.303 -7.715 886 HG2 PRO 120 HG2 PRO 120 4.407 -19.763 -8.498 887 HG3 PRO 120 HG3 PRO 120 3.076 -19.860 -9.666 888 HD2 PRO 120 HD2 PRO 120 4.410 -17.448 -8.503 889 HD3 PRO 120 HD3 PRO 120 3.862 -17.740 -10.168 890 H LEU 121 H LEU 121 -0.585 -18.254 -6.552 891 HA LEU 121 HA LEU 121 -0.183 -16.042 -4.849 892 HG LEU 121 HG LEU 121 -3.822 -16.636 -5.052 893 HB2 LEU 121 HB2 LEU 121 -2.060 -18.395 -4.631 894 HB3 LEU 121 HB3 LEU 121 -2.084 -17.040 -3.522 895 HD11 LEU 121 HD11 LEU 121 -3.132 -14.617 -6.241 896 HD12 LEU 121 HD12 LEU 121 -1.440 -15.039 -5.976 897 HD13 LEU 121 HD13 LEU 121 -2.481 -14.665 -4.603 898 HD21 LEU 121 HD21 LEU 121 -1.891 -17.181 -7.302 899 HD22 LEU 121 HD22 LEU 121 -3.582 -16.705 -7.469 900 HD23 LEU 121 HD23 LEU 121 -3.170 -18.266 -6.756 901 HA PRO 122 HA PRO 122 2.516 -17.804 -1.858 902 HB2 PRO 122 HB2 PRO 122 1.697 -15.767 0.046 903 HB3 PRO 122 HB3 PRO 122 3.218 -15.912 -0.833 904 HG2 PRO 122 HG2 PRO 122 1.402 -13.948 -1.313 905 HG3 PRO 122 HG3 PRO 122 2.503 -14.580 -2.553 906 HD2 PRO 122 HD2 PRO 122 -0.389 -15.210 -2.081 907 HD3 PRO 122 HD3 PRO 122 0.473 -14.963 -3.615 908 H LEU 123 H LEU 123 1.502 -19.740 -1.303 909 HA LEU 123 HA LEU 123 -0.531 -19.680 0.794 910 HG LEU 123 HG LEU 123 -2.005 -21.653 0.756 911 HB2 LEU 123 HB2 LEU 123 -0.504 -21.265 -1.251 912 HB3 LEU 123 HB3 LEU 123 0.746 -22.138 -0.390 913 HD11 LEU 123 HD11 LEU 123 -0.977 -24.043 -0.766 914 HD12 LEU 123 HD12 LEU 123 -2.224 -22.915 -1.305 915 HD13 LEU 123 HD13 LEU 123 -2.518 -23.953 0.091 916 HD21 LEU 123 HD21 LEU 123 -1.427 -23.521 2.224 917 HD22 LEU 123 HD22 LEU 123 -0.286 -22.187 2.400 918 HD23 LEU 123 HD23 LEU 123 0.167 -23.618 1.474 919 H GLU 124 H GLU 124 0.405 -19.118 2.673 920 HA GLU 124 HA GLU 124 2.889 -20.483 3.473 921 HB2 GLU 124 HB2 GLU 124 2.910 -17.958 3.143 922 HB3 GLU 124 HB3 GLU 124 1.838 -17.850 4.528 923 HG2 GLU 124 HG2 GLU 124 4.363 -19.347 4.882 924 HG3 GLU 124 HG3 GLU 124 4.473 -17.598 4.713 925 H HIS 125 H HIS 125 2.734 -21.846 5.148 926 HA HIS 125 HA HIS 125 0.168 -22.234 6.384 927 HD1 HIS 125 HD1 HIS 125 2.558 -24.726 9.163 928 HD2 HIS 125 HD2 HIS 125 -1.025 -24.749 7.048 929 HE1 HIS 125 HE1 HIS 125 0.931 -26.013 10.584 930 HE2 HIS 125 HE2 HIS 125 -1.153 -26.194 9.186 931 HB2 HIS 125 HB2 HIS 125 1.595 -24.150 5.744 932 HB3 HIS 125 HB3 HIS 125 2.785 -23.647 6.942 933 H HIS 126 H HIS 126 -0.393 -20.735 7.814 934 HA HIS 126 HA HIS 126 1.489 -19.513 9.590 935 HD1 HIS 126 HD1 HIS 126 -1.063 -18.737 6.838 936 HD2 HIS 126 HD2 HIS 126 0.565 -16.153 9.656 937 HE1 HIS 126 HE1 HIS 126 -0.468 -16.648 5.577 938 HE2 HIS 126 HE2 HIS 126 0.714 -15.190 7.260 939 HB2 HIS 126 HB2 HIS 126 -1.518 -19.361 9.388 940 HB3 HIS 126 HB3 HIS 126 -0.586 -18.459 10.580 941 H HIS 127 H HIS 127 1.983 -19.995 11.592 942 HA HIS 127 HA HIS 127 1.595 -22.526 12.649 943 HD1 HIS 127 HD1 HIS 127 1.550 -19.786 16.186 944 HD2 HIS 127 HD2 HIS 127 3.210 -18.370 12.646 945 HE1 HIS 127 HE1 HIS 127 1.596 -17.283 16.410 946 HE2 HIS 127 HE2 HIS 127 2.770 -16.458 14.336 947 HB2 HIS 127 HB2 HIS 127 2.549 -21.623 14.749 948 HB3 HIS 127 HB3 HIS 127 3.469 -21.143 13.329 949 H HIS 128 H HIS 128 0.104 -23.488 13.851 950 HA HIS 128 HA HIS 128 -1.729 -21.879 15.467 951 HD1 HIS 128 HD1 HIS 128 -3.280 -22.329 11.415 952 HD2 HIS 128 HD2 HIS 128 -3.997 -20.554 15.107 953 HE1 HIS 128 HE1 HIS 128 -4.357 -20.112 10.907 954 HE2 HIS 128 HE2 HIS 128 -4.599 -18.979 13.144 955 HB2 HIS 128 HB2 HIS 128 -2.553 -23.761 13.280 956 HB3 HIS 128 HB3 HIS 128 -3.577 -23.556 14.695 957 H HIS 129 H HIS 129 -1.455 -22.603 17.453 958 HA HIS 129 HA HIS 129 -0.680 -25.392 17.869 959 HD1 HIS 129 HD1 HIS 129 1.568 -22.198 18.177 960 HD2 HIS 129 HD2 HIS 129 1.858 -26.021 19.798 961 HE1 HIS 129 HE1 HIS 129 3.974 -22.875 17.908 962 HE2 HIS 129 HE2 HIS 129 4.163 -25.084 19.095 963 HB2 HIS 129 HB2 HIS 129 -0.494 -22.913 19.533 964 HB3 HIS 129 HB3 HIS 129 -0.453 -24.489 20.318 965 H HIS 130 H HIS 130 -1.871 -26.860 18.907 966 HA HIS 130 HA HIS 130 -4.270 -26.094 20.343 967 HD1 HIS 130 HD1 HIS 130 -6.002 -29.725 18.218 968 HD2 HIS 130 HD2 HIS 130 -7.070 -26.320 20.355 969 HE1 HIS 130 HE1 HIS 130 -8.169 -30.298 19.366 970 HE2 HIS 130 HE2 HIS 130 -8.913 -28.135 20.438 971 HB2 HIS 130 HB2 HIS 130 -5.095 -26.309 18.044 972 HB3 HIS 130 HB3 HIS 130 -4.368 -27.908 17.916
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