NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
601692 | 2mzf | 25486 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 1.528 0.547 -1.982 3 HB1 ALA 1 HB1 ALA 1 3.928 0.293 -0.182 4 HB2 ALA 1 HB2 ALA 1 4.038 0.574 -1.920 5 HB3 ALA 1 HB3 ALA 1 3.249 1.762 -0.883 6 H LYS 2 H LYS 2 1.145 -1.080 -3.327 7 HA LYS 2 HA LYS 2 1.800 -3.800 -2.665 8 HB2 LYS 2 HB2 LYS 2 0.428 -2.423 -4.935 9 HB3 LYS 2 HB3 LYS 2 1.010 -4.066 -5.172 10 HG2 LYS 2 HG2 LYS 2 -0.763 -3.304 -2.872 11 HG3 LYS 2 HG3 LYS 2 -1.398 -3.798 -4.443 12 HD2 LYS 2 HD2 LYS 2 0.651 -5.555 -3.236 13 HD3 LYS 2 HD3 LYS 2 -0.921 -5.517 -2.435 14 HE2 LYS 2 HE2 LYS 2 -1.277 -7.192 -3.954 15 HE3 LYS 2 HE3 LYS 2 -1.812 -5.799 -4.893 16 HZ1 LYS 2 HZ1 LYS 2 0.039 -7.613 -5.681 17 HZ2 LYS 2 HZ2 LYS 2 0.998 -6.325 -5.151 18 HZ3 LYS 2 HZ3 LYS 2 -0.169 -6.073 -6.350 19 H ALA 3 H ALA 3 2.793 -1.572 -5.267 20 HA ALA 3 HA ALA 3 4.808 -3.297 -6.281 21 HB1 ALA 3 HB1 ALA 3 4.193 -0.385 -6.669 22 HB2 ALA 3 HB2 ALA 3 5.602 -1.145 -7.411 23 HB3 ALA 3 HB3 ALA 3 3.982 -1.722 -7.801 24 H CYS 4 H CYS 4 7.020 -3.279 -5.997 25 HA CYS 4 HA CYS 4 7.933 -2.256 -3.448 26 HB2 CYS 4 HB2 CYS 4 9.998 -3.504 -3.942 27 HB3 CYS 4 HB3 CYS 4 8.570 -4.517 -4.124 28 H THR 5 H THR 5 10.553 -1.686 -3.826 29 HA THR 5 HA THR 5 10.441 0.759 -5.461 30 HB THR 5 HB THR 5 12.282 0.184 -3.133 31 HG1 THR 5 HG1 THR 5 10.769 0.993 -1.882 32 HG21 THR 5 HG21 THR 5 11.653 2.869 -4.321 33 HG22 THR 5 HG22 THR 5 12.945 1.861 -4.974 34 HG23 THR 5 HG23 THR 5 13.009 2.401 -3.296 35 HA PRO 6 HA PRO 6 13.438 -1.881 -7.727 36 HB2 PRO 6 HB2 PRO 6 12.823 -0.846 -10.161 37 HB3 PRO 6 HB3 PRO 6 11.903 -2.158 -9.414 38 HG2 PRO 6 HG2 PRO 6 11.288 0.770 -9.514 39 HG3 PRO 6 HG3 PRO 6 10.201 -0.610 -9.753 40 HD2 PRO 6 HD2 PRO 6 10.320 0.762 -7.422 41 HD3 PRO 6 HD3 PRO 6 9.960 -0.975 -7.490 42 H LEU 7 H LEU 7 14.819 -0.907 -9.778 43 HA LEU 7 HA LEU 7 16.584 0.962 -8.590 44 HB2 LEU 7 HB2 LEU 7 17.002 -0.864 -10.392 45 HB3 LEU 7 HB3 LEU 7 16.543 0.402 -11.528 46 HG LEU 7 HG LEU 7 18.453 1.624 -9.954 47 HD11 LEU 7 HD11 LEU 7 19.424 -0.121 -8.873 48 HD12 LEU 7 HD12 LEU 7 20.319 -0.215 -10.389 49 HD13 LEU 7 HD13 LEU 7 18.954 -1.294 -10.103 50 HD21 LEU 7 HD21 LEU 7 18.260 0.510 -12.675 51 HD22 LEU 7 HD22 LEU 7 19.892 0.823 -12.087 52 HD23 LEU 7 HD23 LEU 7 18.706 2.129 -12.137 53 H LEU 8 H LEU 8 17.157 3.071 -9.357 54 HA LEU 8 HA LEU 8 16.712 5.211 -9.981 55 HB2 LEU 8 HB2 LEU 8 14.725 4.063 -11.924 56 HB3 LEU 8 HB3 LEU 8 15.573 5.604 -12.029 57 HG LEU 8 HG LEU 8 16.863 2.888 -12.285 58 HD11 LEU 8 HD11 LEU 8 16.786 4.742 -14.568 59 HD12 LEU 8 HD12 LEU 8 15.242 4.014 -14.124 60 HD13 LEU 8 HD13 LEU 8 16.620 2.986 -14.518 61 HD21 LEU 8 HD21 LEU 8 18.640 4.140 -11.650 62 HD22 LEU 8 HD22 LEU 8 17.888 5.659 -12.138 63 HD23 LEU 8 HD23 LEU 8 18.614 4.604 -13.352 64 H HIS 9 H HIS 9 15.133 3.882 -7.897 65 HA HIS 9 HA HIS 9 12.856 5.738 -7.896 66 HB2 HIS 9 HB2 HIS 9 12.782 2.819 -7.763 67 HB3 HIS 9 HB3 HIS 9 11.943 3.587 -6.418 68 HD1 HIS 9 HD1 HIS 9 10.062 5.402 -7.179 69 HD2 HIS 9 HD2 HIS 9 11.333 2.688 -10.057 70 HE1 HIS 9 HE1 HIS 9 8.297 5.445 -8.970 71 H ASP 10 H ASP 10 12.422 6.719 -5.967 72 HA ASP 10 HA ASP 10 14.472 6.926 -4.066 73 HB2 ASP 10 HB2 ASP 10 11.581 7.613 -3.543 74 HB3 ASP 10 HB3 ASP 10 13.016 8.360 -2.846 75 H CYS 11 H CYS 11 14.806 6.030 -2.079 76 HA CYS 11 HA CYS 11 12.901 3.985 -1.169 77 HB2 CYS 11 HB2 CYS 11 14.661 2.428 -0.699 78 HB3 CYS 11 HB3 CYS 11 14.856 2.956 -2.367 79 H SER 12 H SER 12 13.482 6.770 -0.340 80 HA SER 12 HA SER 12 14.975 6.856 2.028 81 HB2 SER 12 HB2 SER 12 14.112 8.834 0.710 82 HB3 SER 12 HB3 SER 12 12.533 8.539 1.439 83 HG SER 12 HG SER 12 14.847 8.843 3.025 84 H HIS 13 H HIS 13 11.766 5.706 1.372 85 HA HIS 13 HA HIS 13 10.673 5.802 3.952 86 HB2 HIS 13 HB2 HIS 13 10.151 3.787 1.755 87 HB3 HIS 13 HB3 HIS 13 9.126 4.055 3.162 88 HD1 HIS 13 HD1 HIS 13 9.665 5.169 -0.258 89 HD2 HIS 13 HD2 HIS 13 7.925 6.727 3.178 90 HE1 HIS 13 HE1 HIS 13 8.225 7.077 -1.039 91 H ASP 14 H ASP 14 12.825 3.497 2.415 92 HA ASP 14 HA ASP 14 13.659 2.457 4.940 93 HB2 ASP 14 HB2 ASP 14 11.560 1.061 3.473 94 HB3 ASP 14 HB3 ASP 14 12.967 0.042 3.765 95 H ARG 15 H ARG 15 15.763 2.135 4.712 96 HA ARG 15 HA ARG 15 17.095 2.189 2.245 97 HB2 ARG 15 HB2 ARG 15 18.088 1.134 4.900 98 HB3 ARG 15 HB3 ARG 15 19.098 1.550 3.522 99 HG2 ARG 15 HG2 ARG 15 18.746 3.825 3.784 100 HG3 ARG 15 HG3 ARG 15 17.278 3.587 4.735 101 HD2 ARG 15 HD2 ARG 15 18.834 4.225 6.334 102 HD3 ARG 15 HD3 ARG 15 18.849 2.466 6.450 103 HE ARG 15 HE ARG 15 20.829 2.950 4.694 104 HH11 ARG 15 HH11 ARG 15 20.089 4.274 7.828 105 HH12 ARG 15 HH12 ARG 15 21.745 4.583 8.232 106 HH21 ARG 15 HH21 ARG 15 23.013 3.352 5.215 107 HH22 ARG 15 HH22 ARG 15 23.407 4.059 6.745 108 H HIS 16 H HIS 16 15.515 -0.362 3.870 109 HA HIS 16 HA HIS 16 16.804 -2.335 2.100 110 HB2 HIS 16 HB2 HIS 16 16.835 -2.475 4.775 111 HB3 HIS 16 HB3 HIS 16 15.284 -3.256 4.484 112 HD1 HIS 16 HD1 HIS 16 15.312 -5.593 3.452 113 HD2 HIS 16 HD2 HIS 16 19.087 -3.899 3.827 114 HE1 HIS 16 HE1 HIS 16 16.935 -7.461 3.005 115 H SER 17 H SER 17 14.508 -0.546 1.557 116 HA SER 17 HA SER 17 12.269 -2.416 1.407 117 HB2 SER 17 HB2 SER 17 11.431 -0.363 2.083 118 HB3 SER 17 HB3 SER 17 12.567 0.546 1.086 119 HG SER 17 HG SER 17 10.098 0.014 0.504 120 H CYS 18 H CYS 18 14.784 -1.135 -0.531 121 HA CYS 18 HA CYS 18 13.744 -1.128 -3.083 122 HB2 CYS 18 HB2 CYS 18 16.470 -1.908 -2.060 123 HB3 CYS 18 HB3 CYS 18 16.097 -1.867 -3.780 124 H CYS 19 H CYS 19 13.414 -2.642 -4.683 125 HA CYS 19 HA CYS 19 12.401 -5.116 -4.013 126 HB2 CYS 19 HB2 CYS 19 13.668 -4.342 -6.650 127 HB3 CYS 19 HB3 CYS 19 12.546 -5.675 -6.397 128 H ARG 20 H ARG 20 13.254 -7.265 -4.889 129 HA ARG 20 HA ARG 20 16.149 -7.499 -4.426 130 HB2 ARG 20 HB2 ARG 20 14.015 -9.331 -3.313 131 HB3 ARG 20 HB3 ARG 20 15.750 -9.580 -3.167 132 HG2 ARG 20 HG2 ARG 20 15.650 -7.173 -2.088 133 HG3 ARG 20 HG3 ARG 20 13.982 -7.653 -1.767 134 HD2 ARG 20 HD2 ARG 20 16.238 -9.498 -1.097 135 HD3 ARG 20 HD3 ARG 20 15.834 -8.165 -0.016 136 HE ARG 20 HE ARG 20 13.452 -9.393 -0.440 137 HH11 ARG 20 HH11 ARG 20 16.581 -10.485 0.623 138 HH12 ARG 20 HH12 ARG 20 15.946 -11.759 1.610 139 HH21 ARG 20 HH21 ARG 20 12.603 -11.067 0.856 140 HH22 ARG 20 HH22 ARG 20 13.683 -12.090 1.741 141 H GLY 21 H GLY 21 17.118 -9.441 -5.334 142 HA2 GLY 21 HA2 GLY 21 15.522 -10.627 -7.515 143 HA3 GLY 21 HA3 GLY 21 17.135 -9.998 -7.819 144 H ASP 22 H ASP 22 17.170 -12.360 -8.615 145 HA ASP 22 HA ASP 22 17.590 -14.300 -6.492 146 HB2 ASP 22 HB2 ASP 22 16.399 -15.027 -8.492 147 HB3 ASP 22 HB3 ASP 22 17.769 -14.568 -9.500 148 H MET 23 H MET 23 19.453 -12.502 -8.873 149 HA MET 23 HA MET 23 21.924 -13.815 -8.071 150 HB2 MET 23 HB2 MET 23 21.428 -11.609 -10.079 151 HB3 MET 23 HB3 MET 23 22.967 -12.418 -9.816 152 HG2 MET 23 HG2 MET 23 22.078 -14.498 -10.602 153 HG3 MET 23 HG3 MET 23 20.456 -13.816 -10.698 154 HE1 MET 23 HE1 MET 23 19.946 -14.158 -13.495 155 HE2 MET 23 HE2 MET 23 19.463 -12.828 -12.443 156 HE3 MET 23 HE3 MET 23 20.117 -12.491 -14.046 157 H PHE 24 H PHE 24 21.168 -10.372 -8.579 158 HA PHE 24 HA PHE 24 22.452 -9.794 -5.994 159 HB2 PHE 24 HB2 PHE 24 22.718 -8.029 -8.428 160 HB3 PHE 24 HB3 PHE 24 23.607 -7.920 -6.912 161 HD1 PHE 24 HD2 PHE 24 24.973 -10.111 -6.307 162 HD2 PHE 24 HD1 PHE 24 23.770 -8.976 -10.229 163 HE1 PHE 24 HE2 PHE 24 26.764 -11.506 -7.256 164 HE2 PHE 24 HE1 PHE 24 25.558 -10.370 -11.184 165 HZ PHE 24 HZ PHE 24 27.059 -11.636 -9.698 166 H LYS 25 H LYS 25 21.668 -7.999 -4.854 167 HA LYS 25 HA LYS 25 18.952 -7.212 -5.628 168 HB2 LYS 25 HB2 LYS 25 18.657 -6.565 -3.292 169 HB3 LYS 25 HB3 LYS 25 19.222 -8.226 -3.409 170 HG2 LYS 25 HG2 LYS 25 20.570 -7.479 -1.740 171 HG3 LYS 25 HG3 LYS 25 21.580 -7.078 -3.131 172 HD2 LYS 25 HD2 LYS 25 21.096 -4.813 -2.988 173 HD3 LYS 25 HD3 LYS 25 19.610 -5.086 -2.075 174 HE2 LYS 25 HE2 LYS 25 21.240 -6.038 -0.270 175 HE3 LYS 25 HE3 LYS 25 22.448 -5.092 -1.138 176 HZ1 LYS 25 HZ1 LYS 25 21.430 -3.122 -0.588 177 HZ2 LYS 25 HZ2 LYS 25 21.154 -4.030 0.812 178 HZ3 LYS 25 HZ3 LYS 25 19.917 -3.832 -0.324 179 H TYR 26 H TYR 26 18.337 -4.932 -4.851 180 HA TYR 26 HA TYR 26 20.218 -3.090 -6.076 181 HB2 TYR 26 HB2 TYR 26 17.395 -2.697 -5.065 182 HB3 TYR 26 HB3 TYR 26 18.351 -1.452 -5.860 183 HD1 TYR 26 HD2 TYR 26 19.634 -3.037 -8.015 184 HD2 TYR 26 HD1 TYR 26 15.637 -3.082 -6.556 185 HE1 TYR 26 HE2 TYR 26 18.848 -3.829 -10.207 186 HE2 TYR 26 HE1 TYR 26 14.841 -3.875 -8.744 187 HH TYR 26 HH TYR 26 17.026 -4.902 -11.232 188 H VAL 27 H VAL 27 21.265 -1.440 -5.066 189 HA VAL 27 HA VAL 27 21.111 -1.408 -2.125 190 HB VAL 27 HB VAL 27 23.399 -0.311 -2.290 191 HG11 VAL 27 HG11 VAL 27 22.736 -3.141 -2.880 192 HG12 VAL 27 HG12 VAL 27 24.421 -2.645 -3.043 193 HG13 VAL 27 HG13 VAL 27 23.585 -2.439 -1.504 194 HG21 VAL 27 HG21 VAL 27 23.359 -1.461 -5.075 195 HG22 VAL 27 HG22 VAL 27 23.151 0.254 -4.719 196 HG23 VAL 27 HG23 VAL 27 24.661 -0.557 -4.303 197 H CYS 28 H CYS 28 20.566 0.415 -1.089 198 HA CYS 28 HA CYS 28 19.526 2.622 -2.552 199 HB2 CYS 28 HB2 CYS 28 19.903 1.993 0.353 200 HB3 CYS 28 HB3 CYS 28 19.484 3.633 -0.131 201 H ASP 29 H ASP 29 20.479 4.444 -3.191 202 HA ASP 29 HA ASP 29 23.068 5.174 -1.999 203 HB2 ASP 29 HB2 ASP 29 22.606 4.317 -4.672 204 HB3 ASP 29 HB3 ASP 29 22.995 6.034 -4.721 205 H CYS 30 H CYS 30 23.261 7.249 -1.414 206 HA CYS 30 HA CYS 30 21.061 9.065 -2.121 207 HB2 CYS 30 HB2 CYS 30 23.043 9.245 0.159 208 HB3 CYS 30 HB3 CYS 30 21.696 10.343 -0.124 209 H PHE 31 H PHE 31 21.433 11.051 -3.014 210 HA PHE 31 HA PHE 31 24.180 11.940 -3.426 211 HB2 PHE 31 HB2 PHE 31 23.547 12.386 -5.891 212 HB3 PHE 31 HB3 PHE 31 23.975 10.742 -5.429 213 HD1 PHE 31 HD2 PHE 31 22.216 9.032 -5.176 214 HD2 PHE 31 HD1 PHE 31 21.368 12.932 -6.655 215 HE1 PHE 31 HE2 PHE 31 20.073 8.222 -6.072 216 HE2 PHE 31 HE1 PHE 31 19.222 12.128 -7.552 217 HZ PHE 31 HZ PHE 31 18.573 9.771 -7.263 218 H TYR 32 H TYR 32 24.174 14.133 -4.573 219 HA TYR 32 HA TYR 32 21.948 15.724 -3.485 220 HB2 TYR 32 HB2 TYR 32 24.665 16.820 -4.178 221 HB3 TYR 32 HB3 TYR 32 23.445 17.507 -3.112 222 HD1 TYR 32 HD1 TYR 32 23.138 16.629 -0.844 223 HD2 TYR 32 HD2 TYR 32 26.186 15.119 -3.400 224 HE1 TYR 32 HE1 TYR 32 24.238 15.587 1.093 225 HE2 TYR 32 HE2 TYR 32 27.294 14.072 -1.470 226 HH TYR 32 HH TYR 32 26.364 14.755 1.776 227 HA PRO 33 HA PRO 33 21.498 16.084 -8.055 228 HB2 PRO 33 HB2 PRO 33 18.785 16.174 -7.990 229 HB3 PRO 33 HB3 PRO 33 19.696 14.659 -8.002 230 HG2 PRO 33 HG2 PRO 33 18.454 16.105 -5.694 231 HG3 PRO 33 HG3 PRO 33 18.453 14.370 -6.058 232 HD2 PRO 33 HD2 PRO 33 20.127 15.475 -4.240 233 HD3 PRO 33 HD3 PRO 33 20.577 14.064 -5.219 234 H GLU 34 H GLU 34 22.494 18.238 -7.227 235 HA GLU 34 HA GLU 34 22.476 20.510 -7.335 236 HB2 GLU 34 HB2 GLU 34 21.015 19.858 -9.401 237 HB3 GLU 34 HB3 GLU 34 19.684 20.464 -8.426 238 HG2 GLU 34 HG2 GLU 34 20.390 22.627 -8.548 239 HG3 GLU 34 HG3 GLU 34 22.085 22.180 -8.729 240 H GLY 35 H GLY 35 21.327 19.022 -5.033 241 HA2 GLY 35 HA2 GLY 35 20.008 21.327 -3.792 242 HA3 GLY 35 HA3 GLY 35 19.180 19.777 -3.739 243 H GLU 36 H GLU 36 22.662 20.192 -3.498 244 HA GLU 36 HA GLU 36 22.876 18.576 -1.209 245 HB2 GLU 36 HB2 GLU 36 25.188 19.104 -1.212 246 HB3 GLU 36 HB3 GLU 36 24.690 19.084 -2.898 247 HG2 GLU 36 HG2 GLU 36 24.420 21.604 -2.680 248 HG3 GLU 36 HG3 GLU 36 25.307 21.451 -1.165 249 H ASP 37 H ASP 37 22.105 21.893 -1.580 250 HA ASP 37 HA ASP 37 22.761 22.520 1.198 251 HB2 ASP 37 HB2 ASP 37 22.155 24.830 0.606 252 HB3 ASP 37 HB3 ASP 37 23.367 24.180 -0.495 253 H LYS 38 H LYS 38 20.134 21.506 -0.709 254 HA LYS 38 HA LYS 38 18.162 22.484 1.226 255 HB2 LYS 38 HB2 LYS 38 17.855 22.738 -1.300 256 HB3 LYS 38 HB3 LYS 38 17.577 21.001 -1.332 257 HG2 LYS 38 HG2 LYS 38 15.464 22.112 -1.286 258 HG3 LYS 38 HG3 LYS 38 15.713 21.325 0.275 259 HD2 LYS 38 HD2 LYS 38 16.139 23.353 1.360 260 HD3 LYS 38 HD3 LYS 38 16.454 24.201 -0.156 261 HE2 LYS 38 HE2 LYS 38 13.765 23.077 0.610 262 HE3 LYS 38 HE3 LYS 38 14.257 24.739 0.930 263 HZ1 LYS 38 HZ1 LYS 38 12.984 24.597 -1.104 264 HZ2 LYS 38 HZ2 LYS 38 14.066 23.467 -1.747 265 HZ3 LYS 38 HZ3 LYS 38 14.576 25.053 -1.454 266 H THR 39 H THR 39 18.536 19.462 -0.629 267 HA THR 39 HA THR 39 18.585 17.862 1.760 268 HB THR 39 HB THR 39 16.250 17.301 -0.038 269 HG1 THR 39 HG1 THR 39 14.996 18.696 1.069 270 HG21 THR 39 HG21 THR 39 15.527 16.614 2.475 271 HG22 THR 39 HG22 THR 39 17.274 16.395 2.575 272 HG23 THR 39 HG23 THR 39 16.345 15.523 1.357 273 H GLU 40 H GLU 40 18.707 15.522 1.254 274 HA GLU 40 HA GLU 40 20.024 15.128 -1.345 275 HB2 GLU 40 HB2 GLU 40 20.259 13.305 1.042 276 HB3 GLU 40 HB3 GLU 40 21.319 13.408 -0.357 277 HG2 GLU 40 HG2 GLU 40 22.563 14.470 1.246 278 HG3 GLU 40 HG3 GLU 40 21.748 15.829 0.474 279 H VAL 41 H VAL 41 19.519 13.368 -2.639 280 HA VAL 41 HA VAL 41 16.935 12.102 -2.033 281 HB VAL 41 HB VAL 41 18.313 12.445 -4.700 282 HG11 VAL 41 HG11 VAL 41 15.622 11.848 -5.089 283 HG12 VAL 41 HG12 VAL 41 16.999 10.787 -5.391 284 HG13 VAL 41 HG13 VAL 41 16.159 10.725 -3.841 285 HG21 VAL 41 HG21 VAL 41 15.906 13.832 -3.525 286 HG22 VAL 41 HG22 VAL 41 17.486 14.556 -3.824 287 HG23 VAL 41 HG23 VAL 41 16.489 14.024 -5.178 288 H CYS 42 H CYS 42 16.835 9.983 -1.666 289 HA CYS 42 HA CYS 42 19.213 8.357 -2.283 290 HB2 CYS 42 HB2 CYS 42 17.120 7.893 -0.147 291 HB3 CYS 42 HB3 CYS 42 18.551 6.905 -0.427 292 H SER 43 H SER 43 18.923 7.114 -4.005 293 HA SER 43 HA SER 43 16.296 5.833 -4.382 294 HB2 SER 43 HB2 SER 43 16.477 6.077 -6.749 295 HB3 SER 43 HB3 SER 43 16.854 7.655 -6.060 296 HG SER 43 HG SER 43 18.330 6.290 -7.710 297 H CYS 44 H CYS 44 16.456 3.850 -5.808 298 HA CYS 44 HA CYS 44 18.482 2.120 -4.706 299 HB2 CYS 44 HB2 CYS 44 16.288 1.531 -6.706 300 HB3 CYS 44 HB3 CYS 44 17.281 0.329 -5.888 301 H GLN 45 H GLN 45 20.368 1.642 -5.608 302 HA GLN 45 HA GLN 45 20.677 2.031 -8.512 303 HB2 GLN 45 HB2 GLN 45 22.709 2.631 -6.355 304 HB3 GLN 45 HB3 GLN 45 23.009 2.734 -8.084 305 HG2 GLN 45 HG2 GLN 45 20.735 4.288 -6.995 306 HG3 GLN 45 HG3 GLN 45 22.366 4.845 -6.622 307 HE21 GLN 45 HE21 GLN 45 20.012 4.320 -9.116 308 HE22 GLN 45 HE22 GLN 45 20.819 5.217 -10.352 309 H GLN 46 H GLN 46 22.107 0.619 -9.589 310 HA GLN 46 HA GLN 46 22.471 -1.933 -8.195 311 HB2 GLN 46 HB2 GLN 46 22.772 -2.868 -10.484 312 HB3 GLN 46 HB3 GLN 46 21.205 -2.110 -10.233 313 HG2 GLN 46 HG2 GLN 46 22.039 -0.087 -11.370 314 HG3 GLN 46 HG3 GLN 46 23.557 -0.925 -11.688 315 HE21 GLN 46 HE21 GLN 46 20.070 -1.501 -12.045 316 HE22 GLN 46 HE22 GLN 46 20.171 -2.163 -13.638 317 HA PRO 47 HA PRO 47 26.846 -1.631 -8.064 318 HB2 PRO 47 HB2 PRO 47 27.569 -4.222 -8.436 319 HB3 PRO 47 HB3 PRO 47 26.833 -3.635 -6.940 320 HG2 PRO 47 HG2 PRO 47 25.562 -5.067 -9.241 321 HG3 PRO 47 HG3 PRO 47 25.326 -5.315 -7.501 322 HD2 PRO 47 HD2 PRO 47 23.580 -3.913 -9.023 323 HD3 PRO 47 HD3 PRO 47 23.879 -3.531 -7.316 324 H LYS 48 H LYS 48 28.855 -2.676 -9.305 325 HA LYS 48 HA LYS 48 28.424 -3.015 -12.139 326 HB2 LYS 48 HB2 LYS 48 29.782 -1.104 -12.825 327 HB3 LYS 48 HB3 LYS 48 28.367 -0.570 -11.928 328 HG2 LYS 48 HG2 LYS 48 29.706 -0.210 -9.952 329 HG3 LYS 48 HG3 LYS 48 31.132 -0.853 -10.770 330 HD2 LYS 48 HD2 LYS 48 31.501 1.062 -11.896 331 HD3 LYS 48 HD3 LYS 48 29.782 1.339 -12.185 332 HE2 LYS 48 HE2 LYS 48 29.494 2.233 -9.980 333 HE3 LYS 48 HE3 LYS 48 31.136 1.778 -9.528 334 HZ1 LYS 48 HZ1 LYS 48 31.689 3.305 -11.584 335 HZ2 LYS 48 HZ2 LYS 48 31.469 3.949 -10.035 336 HZ3 LYS 48 HZ3 LYS 48 30.211 4.014 -11.165 337 H SER 49 H SER 49 30.745 -2.952 -13.243 338 HA SER 49 HA SER 49 32.759 -4.097 -11.458 339 HB2 SER 49 HB2 SER 49 32.687 -5.634 -13.895 340 HB3 SER 49 HB3 SER 49 32.570 -6.193 -12.227 341 HG SER 49 HG SER 49 30.623 -5.922 -14.087 342 H HIS 50 H HIS 50 32.335 -1.636 -13.155 343 HA HIS 50 HA HIS 50 33.511 -0.284 -14.564 344 HB2 HIS 50 HB2 HIS 50 35.734 -1.975 -13.414 345 HB3 HIS 50 HB3 HIS 50 36.021 -0.561 -14.425 346 HD1 HIS 50 HD1 HIS 50 34.771 1.710 -13.402 347 HD2 HIS 50 HD2 HIS 50 35.680 -1.383 -10.781 348 HE1 HIS 50 HE1 HIS 50 34.752 2.743 -11.109 349 H LYS 51 H LYS 51 32.236 -2.208 -15.965 350 HA LYS 51 HA LYS 51 33.896 -2.444 -18.299 351 HB2 LYS 51 HB2 LYS 51 33.767 -4.644 -16.499 352 HB3 LYS 51 HB3 LYS 51 32.856 -5.078 -17.940 353 HG2 LYS 51 HG2 LYS 51 35.013 -4.088 -19.131 354 HG3 LYS 51 HG3 LYS 51 35.753 -4.571 -17.603 355 HD2 LYS 51 HD2 LYS 51 34.531 -6.817 -17.994 356 HD3 LYS 51 HD3 LYS 51 34.392 -6.267 -19.665 357 HE2 LYS 51 HE2 LYS 51 36.713 -6.239 -19.967 358 HE3 LYS 51 HE3 LYS 51 37.028 -6.269 -18.233 359 HZ1 LYS 51 HZ1 LYS 51 37.317 -8.444 -18.512 360 HZ2 LYS 51 HZ2 LYS 51 36.608 -8.448 -20.048 361 HZ3 LYS 51 HZ3 LYS 51 35.636 -8.559 -18.668 362 H ILE 52 H ILE 52 32.388 -1.323 -19.451 363 HA ILE 52 HA ILE 52 29.720 -2.555 -19.684 364 HB ILE 52 HB ILE 52 30.387 0.331 -20.255 365 HG12 ILE 52 HG12 ILE 52 30.712 -0.117 -17.875 366 HG13 ILE 52 HG13 ILE 52 29.258 0.844 -18.123 367 HG21 ILE 52 HG21 ILE 52 28.003 -1.355 -20.527 368 HG22 ILE 52 HG22 ILE 52 27.724 0.195 -19.735 369 HG23 ILE 52 HG23 ILE 52 28.435 0.145 -21.348 370 HD11 ILE 52 HD11 ILE 52 28.585 -1.932 -18.158 371 HD12 ILE 52 HD12 ILE 52 29.516 -1.557 -16.708 372 HD13 ILE 52 HD13 ILE 52 28.040 -0.661 -17.064 373 H ALA 53 H ALA 53 32.604 -1.758 -21.288 374 HA ALA 53 HA ALA 53 31.743 -2.958 -23.717 375 HB1 ALA 53 HB1 ALA 53 32.005 -1.015 -25.193 376 HB2 ALA 53 HB2 ALA 53 30.669 -0.807 -24.060 377 HB3 ALA 53 HB3 ALA 53 32.199 0.023 -23.780 378 H GLU 54 H GLU 54 33.535 -4.221 -23.703 379 HA GLU 54 HA GLU 54 36.119 -2.841 -23.999 380 HB2 GLU 54 HB2 GLU 54 35.684 -4.085 -21.761 381 HB3 GLU 54 HB3 GLU 54 35.908 -5.546 -22.713 382 HG2 GLU 54 HG2 GLU 54 38.008 -3.580 -23.142 383 HG3 GLU 54 HG3 GLU 54 37.882 -4.107 -21.464 384 H LYS 55 H LYS 55 34.211 -3.838 -25.993 385 HA LYS 55 HA LYS 55 36.092 -5.436 -27.528 386 HB2 LYS 55 HB2 LYS 55 33.643 -6.513 -26.364 387 HB3 LYS 55 HB3 LYS 55 33.697 -6.706 -28.112 388 HG2 LYS 55 HG2 LYS 55 36.120 -7.451 -26.577 389 HG3 LYS 55 HG3 LYS 55 34.709 -8.504 -26.454 390 HD2 LYS 55 HD2 LYS 55 34.819 -8.080 -29.135 391 HD3 LYS 55 HD3 LYS 55 36.532 -8.034 -28.712 392 HE2 LYS 55 HE2 LYS 55 36.073 -10.198 -27.420 393 HE3 LYS 55 HE3 LYS 55 34.558 -10.262 -28.318 394 HZ1 LYS 55 HZ1 LYS 55 35.606 -10.781 -30.226 395 HZ2 LYS 55 HZ2 LYS 55 36.813 -11.351 -29.188 396 HZ3 LYS 55 HZ3 LYS 55 36.960 -9.821 -29.894 397 H ILE 56 H ILE 56 36.279 -3.588 -28.828 398 HA ILE 56 HA ILE 56 34.135 -3.316 -30.779 399 HB ILE 56 HB ILE 56 34.283 -0.821 -30.703 400 HG12 ILE 56 HG12 ILE 56 35.392 -1.107 -27.928 401 HG13 ILE 56 HG13 ILE 56 36.481 -0.994 -29.306 402 HG21 ILE 56 HG21 ILE 56 33.313 -1.836 -28.057 403 HG22 ILE 56 HG22 ILE 56 32.606 -0.609 -29.107 404 HG23 ILE 56 HG23 ILE 56 32.519 -2.311 -29.559 405 HD11 ILE 56 HD11 ILE 56 34.828 1.062 -28.028 406 HD12 ILE 56 HD12 ILE 56 36.361 1.201 -28.890 407 HD13 ILE 56 HD13 ILE 56 34.849 1.098 -29.791 408 H ILE 57 H ILE 57 36.882 -4.383 -30.715 409 HA ILE 57 HA ILE 57 38.712 -2.670 -31.961 410 HB ILE 57 HB ILE 57 38.494 -5.662 -32.306 411 HG12 ILE 57 HG12 ILE 57 40.542 -5.128 -30.523 412 HG13 ILE 57 HG13 ILE 57 39.292 -3.983 -30.050 413 HG21 ILE 57 HG21 ILE 57 39.991 -4.972 -33.935 414 HG22 ILE 57 HG22 ILE 57 40.622 -3.659 -32.942 415 HG23 ILE 57 HG23 ILE 57 41.047 -5.329 -32.569 416 HD11 ILE 57 HD11 ILE 57 39.458 -6.809 -29.580 417 HD12 ILE 57 HD12 ILE 57 38.349 -5.618 -28.899 418 HD13 ILE 57 HD13 ILE 57 37.967 -6.405 -30.430 419 H ASP 58 H ASP 58 36.209 -4.765 -33.302 420 HA ASP 58 HA ASP 58 36.924 -3.997 -36.021 421 HB2 ASP 58 HB2 ASP 58 34.961 -5.965 -34.861 422 HB3 ASP 58 HB3 ASP 58 34.933 -5.530 -36.568 423 H LYS 59 H LYS 59 35.096 -3.369 -37.503 424 HA LYS 59 HA LYS 59 33.617 -1.189 -36.254 425 HB2 LYS 59 HB2 LYS 59 34.669 -1.767 -38.926 426 HB3 LYS 59 HB3 LYS 59 33.051 -1.079 -38.946 427 HG2 LYS 59 HG2 LYS 59 34.036 0.686 -37.337 428 HG3 LYS 59 HG3 LYS 59 35.596 0.114 -37.933 429 HD2 LYS 59 HD2 LYS 59 34.482 0.448 -40.279 430 HD3 LYS 59 HD3 LYS 59 33.404 1.527 -39.389 431 HE2 LYS 59 HE2 LYS 59 36.300 1.849 -38.891 432 HE3 LYS 59 HE3 LYS 59 35.723 2.321 -40.489 433 HZ1 LYS 59 HZ1 LYS 59 35.471 3.701 -38.042 434 HZ2 LYS 59 HZ2 LYS 59 33.929 3.362 -38.649 435 HZ3 LYS 59 HZ3 LYS 59 35.042 4.213 -39.597 436 H ALA 60 H ALA 60 31.371 -0.772 -37.211 437 HA ALA 60 HA ALA 60 29.818 -2.948 -38.148 438 HB1 ALA 60 HB1 ALA 60 29.377 -2.261 -35.247 439 HB2 ALA 60 HB2 ALA 60 28.514 -3.467 -36.201 440 HB3 ALA 60 HB3 ALA 60 30.218 -3.703 -35.815 441 H LYS 61 H LYS 61 28.397 -1.924 -39.379 442 HA LYS 61 HA LYS 61 27.521 0.766 -38.666 443 HB2 LYS 61 HB2 LYS 61 28.309 -0.139 -41.029 444 HB3 LYS 61 HB3 LYS 61 26.620 -0.609 -41.158 445 HG2 LYS 61 HG2 LYS 61 26.210 1.878 -40.412 446 HG3 LYS 61 HG3 LYS 61 27.836 2.102 -41.062 447 HD2 LYS 61 HD2 LYS 61 26.691 2.439 -42.988 448 HD3 LYS 61 HD3 LYS 61 26.753 0.676 -43.060 449 HE2 LYS 61 HE2 LYS 61 24.535 0.596 -43.034 450 HE3 LYS 61 HE3 LYS 61 24.521 1.408 -41.469 451 HZ1 LYS 61 HZ1 LYS 61 23.590 2.397 -43.873 452 HZ2 LYS 61 HZ2 LYS 61 25.001 3.271 -43.546 453 HZ3 LYS 61 HZ3 LYS 61 23.744 3.239 -42.414 454 H THR 62 H THR 62 26.429 -0.751 -36.850 455 HA THR 62 HA THR 62 23.610 -0.630 -37.444 456 HB THR 62 HB THR 62 24.089 -2.877 -38.259 457 HG1 THR 62 HG1 THR 62 22.861 -3.193 -35.723 458 HG21 THR 62 HG21 THR 62 24.684 -4.278 -35.875 459 HG22 THR 62 HG22 THR 62 25.842 -2.953 -36.003 460 HG23 THR 62 HG23 THR 62 25.682 -4.116 -37.319 461 H THR 63 H THR 63 22.382 -0.324 -35.636 462 HA THR 63 HA THR 63 23.569 0.625 -33.308 463 HB THR 63 HB THR 63 20.791 -0.544 -33.373 464 HG1 THR 63 HG1 THR 63 20.173 1.049 -34.639 465 HG21 THR 63 HG21 THR 63 21.574 0.223 -31.197 466 HG22 THR 63 HG22 THR 63 20.318 1.300 -31.810 467 HG23 THR 63 HG23 THR 63 22.012 1.785 -31.888 468 H LEU 64 H LEU 64 24.638 -0.411 -31.768 469 HA LEU 64 HA LEU 64 24.580 -3.255 -31.517 470 HB2 LEU 64 HB2 LEU 64 26.588 -1.895 -31.087 471 HB3 LEU 64 HB3 LEU 64 25.788 -1.187 -29.685 472 HG LEU 64 HG LEU 64 25.642 -3.856 -29.123 473 HD11 LEU 64 HD11 LEU 64 28.466 -3.623 -29.958 474 HD12 LEU 64 HD12 LEU 64 27.285 -3.929 -31.231 475 HD13 LEU 64 HD13 LEU 64 27.418 -5.039 -29.868 476 HD21 LEU 64 HD21 LEU 64 27.914 -3.193 -27.854 477 HD22 LEU 64 HD22 LEU 64 26.319 -2.637 -27.346 478 HD23 LEU 64 HD23 LEU 64 27.351 -1.588 -28.319 Start of MODEL 2 1 H1 ALA 1 H ALA 1 9.244 -7.839 -5.547 2 HA ALA 1 HA ALA 1 6.327 -8.119 -5.581 3 HB1 ALA 1 HB1 ALA 1 6.536 -7.047 -3.642 4 HB2 ALA 1 HB2 ALA 1 8.216 -6.623 -3.973 5 HB3 ALA 1 HB3 ALA 1 6.913 -5.604 -4.584 6 H LYS 2 H LYS 2 5.067 -6.219 -6.356 7 HA LYS 2 HA LYS 2 6.210 -5.259 -8.882 8 HB2 LYS 2 HB2 LYS 2 4.080 -6.530 -8.967 9 HB3 LYS 2 HB3 LYS 2 3.325 -5.289 -7.976 10 HG2 LYS 2 HG2 LYS 2 4.654 -4.444 -10.491 11 HG3 LYS 2 HG3 LYS 2 3.113 -5.297 -10.604 12 HD2 LYS 2 HD2 LYS 2 2.288 -3.604 -8.852 13 HD3 LYS 2 HD3 LYS 2 3.722 -2.670 -9.285 14 HE2 LYS 2 HE2 LYS 2 1.543 -3.567 -11.168 15 HE3 LYS 2 HE3 LYS 2 1.776 -1.931 -10.556 16 HZ1 LYS 2 HZ1 LYS 2 4.018 -2.002 -11.627 17 HZ2 LYS 2 HZ2 LYS 2 2.716 -2.012 -12.707 18 HZ3 LYS 2 HZ3 LYS 2 3.556 -3.445 -12.381 19 H ALA 3 H ALA 3 4.437 -4.129 -6.027 20 HA ALA 3 HA ALA 3 4.757 -1.356 -6.824 21 HB1 ALA 3 HB1 ALA 3 3.393 -0.809 -4.949 22 HB2 ALA 3 HB2 ALA 3 2.678 -2.220 -5.730 23 HB3 ALA 3 HB3 ALA 3 3.611 -2.412 -4.247 24 H CYS 4 H CYS 4 7.006 -3.277 -5.956 25 HA CYS 4 HA CYS 4 8.048 -2.193 -3.530 26 HB2 CYS 4 HB2 CYS 4 10.093 -3.440 -4.109 27 HB3 CYS 4 HB3 CYS 4 8.653 -4.442 -4.261 28 H THR 5 H THR 5 10.656 -1.626 -3.963 29 HA THR 5 HA THR 5 10.518 0.847 -5.554 30 HB THR 5 HB THR 5 12.655 0.416 -3.512 31 HG1 THR 5 HG1 THR 5 10.544 -0.118 -2.560 32 HG21 THR 5 HG21 THR 5 12.811 2.419 -4.804 33 HG22 THR 5 HG22 THR 5 12.236 2.879 -3.200 34 HG23 THR 5 HG23 THR 5 11.106 2.786 -4.549 35 HA PRO 6 HA PRO 6 13.444 -1.763 -7.939 36 HB2 PRO 6 HB2 PRO 6 12.783 -0.676 -10.337 37 HB3 PRO 6 HB3 PRO 6 11.870 -1.996 -9.595 38 HG2 PRO 6 HG2 PRO 6 11.274 0.938 -9.622 39 HG3 PRO 6 HG3 PRO 6 10.172 -0.430 -9.864 40 HD2 PRO 6 HD2 PRO 6 10.355 0.894 -7.509 41 HD3 PRO 6 HD3 PRO 6 9.980 -0.839 -7.604 42 H LEU 7 H LEU 7 14.785 -0.757 -10.002 43 HA LEU 7 HA LEU 7 16.583 1.084 -8.813 44 HB2 LEU 7 HB2 LEU 7 16.905 -0.729 -10.690 45 HB3 LEU 7 HB3 LEU 7 16.536 0.624 -11.757 46 HG LEU 7 HG LEU 7 18.497 1.602 -10.042 47 HD11 LEU 7 HD11 LEU 7 20.236 -0.309 -10.753 48 HD12 LEU 7 HD12 LEU 7 18.804 -1.301 -10.482 49 HD13 LEU 7 HD13 LEU 7 19.421 -0.274 -9.189 50 HD21 LEU 7 HD21 LEU 7 19.890 0.996 -12.258 51 HD22 LEU 7 HD22 LEU 7 18.756 2.344 -12.159 52 HD23 LEU 7 HD23 LEU 7 18.246 0.815 -12.875 53 H LEU 8 H LEU 8 17.119 3.210 -9.493 54 HA LEU 8 HA LEU 8 16.681 5.359 -10.095 55 HB2 LEU 8 HB2 LEU 8 14.666 4.287 -12.047 56 HB3 LEU 8 HB3 LEU 8 15.582 5.789 -12.141 57 HG LEU 8 HG LEU 8 16.819 3.049 -12.369 58 HD11 LEU 8 HD11 LEU 8 15.392 3.231 -14.238 59 HD12 LEU 8 HD12 LEU 8 16.998 3.683 -14.809 60 HD13 LEU 8 HD13 LEU 8 15.797 4.931 -14.479 61 HD21 LEU 8 HD21 LEU 8 18.493 4.726 -13.616 62 HD22 LEU 8 HD22 LEU 8 18.614 4.343 -11.899 63 HD23 LEU 8 HD23 LEU 8 17.819 5.830 -12.417 64 H HIS 9 H HIS 9 15.116 4.001 -8.027 65 HA HIS 9 HA HIS 9 12.820 5.836 -8.000 66 HB2 HIS 9 HB2 HIS 9 12.786 2.920 -7.876 67 HB3 HIS 9 HB3 HIS 9 11.965 3.665 -6.507 68 HD1 HIS 9 HD1 HIS 9 9.996 5.382 -7.167 69 HD2 HIS 9 HD2 HIS 9 11.337 2.864 -10.186 70 HE1 HIS 9 HE1 HIS 9 8.204 5.433 -8.931 71 H ASP 10 H ASP 10 12.381 6.804 -6.064 72 HA ASP 10 HA ASP 10 14.464 6.976 -4.165 73 HB2 ASP 10 HB2 ASP 10 11.635 7.817 -3.588 74 HB3 ASP 10 HB3 ASP 10 13.138 8.563 -3.055 75 H CYS 11 H CYS 11 14.879 5.848 -2.375 76 HA CYS 11 HA CYS 11 12.795 4.023 -1.367 77 HB2 CYS 11 HB2 CYS 11 14.556 2.411 -0.811 78 HB3 CYS 11 HB3 CYS 11 14.554 2.771 -2.535 79 H SER 12 H SER 12 13.607 6.770 -0.551 80 HA SER 12 HA SER 12 15.137 6.842 1.751 81 HB2 SER 12 HB2 SER 12 14.194 8.829 0.554 82 HB3 SER 12 HB3 SER 12 12.626 8.462 1.271 83 HG SER 12 HG SER 12 14.476 9.927 2.326 84 H HIS 13 H HIS 13 11.913 5.635 1.280 85 HA HIS 13 HA HIS 13 10.976 5.662 3.915 86 HB2 HIS 13 HB2 HIS 13 10.368 3.980 1.510 87 HB3 HIS 13 HB3 HIS 13 9.664 3.561 3.068 88 HD1 HIS 13 HD1 HIS 13 8.426 5.800 4.237 89 HD2 HIS 13 HD2 HIS 13 8.786 5.645 0.101 90 HE1 HIS 13 HE1 HIS 13 6.710 7.411 3.352 91 H ASP 14 H ASP 14 13.080 3.411 2.228 92 HA ASP 14 HA ASP 14 14.106 2.392 4.692 93 HB2 ASP 14 HB2 ASP 14 11.977 0.924 3.316 94 HB3 ASP 14 HB3 ASP 14 13.423 -0.043 3.595 95 H ARG 15 H ARG 15 16.201 2.161 4.321 96 HA ARG 15 HA ARG 15 17.362 2.235 1.769 97 HB2 ARG 15 HB2 ARG 15 18.620 1.184 4.309 98 HB3 ARG 15 HB3 ARG 15 19.465 1.777 2.885 99 HG2 ARG 15 HG2 ARG 15 18.383 4.006 3.296 100 HG3 ARG 15 HG3 ARG 15 17.820 3.360 4.838 101 HD2 ARG 15 HD2 ARG 15 19.846 4.571 5.232 102 HD3 ARG 15 HD3 ARG 15 20.190 2.851 5.412 103 HE ARG 15 HE ARG 15 20.817 3.360 2.822 104 HH11 ARG 15 HH11 ARG 15 21.744 4.785 5.861 105 HH12 ARG 15 HH12 ARG 15 23.315 5.260 5.309 106 HH21 ARG 15 HH21 ARG 15 22.884 3.981 2.083 107 HH22 ARG 15 HH22 ARG 15 23.963 4.803 3.158 108 H HIS 16 H HIS 16 15.987 -0.353 3.517 109 HA HIS 16 HA HIS 16 17.233 -2.298 1.688 110 HB2 HIS 16 HB2 HIS 16 16.435 -2.488 4.560 111 HB3 HIS 16 HB3 HIS 16 16.339 -3.936 3.562 112 HD1 HIS 16 HD1 HIS 16 18.248 -4.886 5.148 113 HD2 HIS 16 HD2 HIS 16 19.343 -1.687 2.733 114 HE1 HIS 16 HE1 HIS 16 20.763 -4.858 5.166 115 H SER 17 H SER 17 14.848 -0.599 1.264 116 HA SER 17 HA SER 17 12.687 -2.571 1.242 117 HB2 SER 17 HB2 SER 17 11.788 -0.585 2.026 118 HB3 SER 17 HB3 SER 17 12.813 0.409 0.990 119 HG SER 17 HG SER 17 10.482 -1.031 0.314 120 H CYS 18 H CYS 18 15.038 -1.197 -0.803 121 HA CYS 18 HA CYS 18 13.851 -1.123 -3.290 122 HB2 CYS 18 HB2 CYS 18 16.638 -1.929 -2.465 123 HB3 CYS 18 HB3 CYS 18 16.157 -1.797 -4.154 124 H CYS 19 H CYS 19 13.470 -2.594 -4.927 125 HA CYS 19 HA CYS 19 12.490 -5.087 -4.284 126 HB2 CYS 19 HB2 CYS 19 13.663 -4.262 -6.948 127 HB3 CYS 19 HB3 CYS 19 12.531 -5.583 -6.680 128 H ARG 20 H ARG 20 13.303 -7.217 -5.202 129 HA ARG 20 HA ARG 20 16.220 -7.458 -4.959 130 HB2 ARG 20 HB2 ARG 20 15.871 -9.550 -3.623 131 HB3 ARG 20 HB3 ARG 20 15.413 -8.070 -2.790 132 HG2 ARG 20 HG2 ARG 20 13.087 -8.498 -3.182 133 HG3 ARG 20 HG3 ARG 20 13.473 -9.887 -4.200 134 HD2 ARG 20 HD2 ARG 20 14.104 -11.196 -2.406 135 HD3 ARG 20 HD3 ARG 20 14.461 -9.803 -1.385 136 HE ARG 20 HE ARG 20 12.303 -9.859 -0.657 137 HH11 ARG 20 HH11 ARG 20 12.494 -11.560 -3.688 138 HH12 ARG 20 HH12 ARG 20 10.846 -12.091 -3.644 139 HH21 ARG 20 HH21 ARG 20 10.131 -10.553 -0.586 140 HH22 ARG 20 HH22 ARG 20 9.503 -11.517 -1.879 141 H GLY 21 H GLY 21 16.994 -9.642 -5.706 142 HA2 GLY 21 HA2 GLY 21 15.231 -10.762 -7.786 143 HA3 GLY 21 HA3 GLY 21 16.878 -10.291 -8.177 144 H ASP 22 H ASP 22 16.931 -12.596 -8.874 145 HA ASP 22 HA ASP 22 16.946 -14.619 -6.831 146 HB2 ASP 22 HB2 ASP 22 16.363 -14.904 -9.330 147 HB3 ASP 22 HB3 ASP 22 18.105 -14.947 -9.588 148 H MET 23 H MET 23 19.302 -12.597 -8.418 149 HA MET 23 HA MET 23 21.526 -14.079 -7.253 150 HB2 MET 23 HB2 MET 23 21.507 -11.624 -9.019 151 HB3 MET 23 HB3 MET 23 22.946 -12.492 -8.502 152 HG2 MET 23 HG2 MET 23 22.035 -14.515 -9.653 153 HG3 MET 23 HG3 MET 23 20.758 -13.491 -10.303 154 HE1 MET 23 HE1 MET 23 21.384 -11.159 -11.364 155 HE2 MET 23 HE2 MET 23 22.954 -10.726 -10.688 156 HE3 MET 23 HE3 MET 23 22.769 -10.925 -12.431 157 H PHE 24 H PHE 24 20.911 -10.579 -7.482 158 HA PHE 24 HA PHE 24 21.221 -10.334 -4.590 159 HB2 PHE 24 HB2 PHE 24 23.127 -9.289 -6.629 160 HB3 PHE 24 HB3 PHE 24 22.776 -8.272 -5.235 161 HD1 PHE 24 HD2 PHE 24 22.839 -9.627 -2.922 162 HD2 PHE 24 HD1 PHE 24 24.940 -10.674 -6.473 163 HE1 PHE 24 HE2 PHE 24 24.463 -10.901 -1.582 164 HE2 PHE 24 HE1 PHE 24 26.566 -11.950 -5.139 165 HZ PHE 24 HZ PHE 24 26.328 -12.066 -2.691 166 H LYS 25 H LYS 25 20.609 -8.206 -3.781 167 HA LYS 25 HA LYS 25 18.468 -7.063 -5.411 168 HB2 LYS 25 HB2 LYS 25 17.559 -6.189 -3.402 169 HB3 LYS 25 HB3 LYS 25 18.093 -7.822 -3.023 170 HG2 LYS 25 HG2 LYS 25 20.105 -6.942 -1.979 171 HG3 LYS 25 HG3 LYS 25 19.613 -5.298 -2.395 172 HD2 LYS 25 HD2 LYS 25 19.074 -5.770 -0.077 173 HD3 LYS 25 HD3 LYS 25 17.591 -5.575 -1.017 174 HE2 LYS 25 HE2 LYS 25 17.142 -7.872 -0.994 175 HE3 LYS 25 HE3 LYS 25 18.795 -8.282 -0.539 176 HZ1 LYS 25 HZ1 LYS 25 16.581 -7.357 1.132 177 HZ2 LYS 25 HZ2 LYS 25 18.141 -6.870 1.564 178 HZ3 LYS 25 HZ3 LYS 25 17.769 -8.516 1.458 179 H TYR 26 H TYR 26 18.184 -4.736 -5.508 180 HA TYR 26 HA TYR 26 20.524 -3.395 -6.314 181 HB2 TYR 26 HB2 TYR 26 17.934 -2.048 -5.556 182 HB3 TYR 26 HB3 TYR 26 19.134 -1.506 -6.724 183 HD1 TYR 26 HD2 TYR 26 19.618 -3.890 -8.329 184 HD2 TYR 26 HD1 TYR 26 15.968 -2.391 -6.738 185 HE1 TYR 26 HE2 TYR 26 18.377 -5.016 -10.130 186 HE2 TYR 26 HE1 TYR 26 14.717 -3.514 -8.534 187 HH TYR 26 HH TYR 26 16.211 -4.800 -11.287 188 H VAL 27 H VAL 27 21.332 -1.339 -5.434 189 HA VAL 27 HA VAL 27 21.342 -1.394 -2.489 190 HB VAL 27 HB VAL 27 23.528 -0.113 -2.746 191 HG11 VAL 27 HG11 VAL 27 23.786 -2.838 -3.939 192 HG12 VAL 27 HG12 VAL 27 24.749 -2.067 -2.677 193 HG13 VAL 27 HG13 VAL 27 23.126 -2.655 -2.314 194 HG21 VAL 27 HG21 VAL 27 23.360 -1.194 -5.557 195 HG22 VAL 27 HG22 VAL 27 23.180 0.504 -5.115 196 HG23 VAL 27 HG23 VAL 27 24.715 -0.320 -4.841 197 H CYS 28 H CYS 28 20.618 0.326 -1.409 198 HA CYS 28 HA CYS 28 19.480 2.536 -2.834 199 HB2 CYS 28 HB2 CYS 28 19.618 1.662 0.014 200 HB3 CYS 28 HB3 CYS 28 19.250 3.352 -0.312 201 H ASP 29 H ASP 29 20.793 4.012 -3.700 202 HA ASP 29 HA ASP 29 23.139 4.903 -2.177 203 HB2 ASP 29 HB2 ASP 29 22.749 4.316 -4.908 204 HB3 ASP 29 HB3 ASP 29 22.968 6.061 -4.807 205 H CYS 30 H CYS 30 23.464 7.036 -1.642 206 HA CYS 30 HA CYS 30 21.149 8.817 -2.036 207 HB2 CYS 30 HB2 CYS 30 23.077 8.660 0.289 208 HB3 CYS 30 HB3 CYS 30 21.854 9.911 0.097 209 H PHE 31 H PHE 31 21.489 10.874 -2.742 210 HA PHE 31 HA PHE 31 24.217 11.877 -2.984 211 HB2 PHE 31 HB2 PHE 31 23.912 12.427 -5.372 212 HB3 PHE 31 HB3 PHE 31 23.867 10.689 -5.085 213 HD1 PHE 31 HD2 PHE 31 21.778 9.450 -5.281 214 HD2 PHE 31 HD1 PHE 31 21.974 13.618 -6.124 215 HE1 PHE 31 HE2 PHE 31 19.606 9.317 -6.429 216 HE2 PHE 31 HE1 PHE 31 19.802 13.491 -7.273 217 HZ PHE 31 HZ PHE 31 18.614 11.339 -7.426 218 H TYR 32 H TYR 32 23.862 14.112 -4.417 219 HA TYR 32 HA TYR 32 21.719 15.559 -3.003 220 HB2 TYR 32 HB2 TYR 32 24.344 16.802 -3.801 221 HB3 TYR 32 HB3 TYR 32 23.144 17.418 -2.670 222 HD1 TYR 32 HD1 TYR 32 22.937 16.431 -0.420 223 HD2 TYR 32 HD2 TYR 32 25.998 15.208 -3.111 224 HE1 TYR 32 HE1 TYR 32 24.160 15.399 1.449 225 HE2 TYR 32 HE2 TYR 32 27.228 14.173 -1.251 226 HH TYR 32 HH TYR 32 26.533 13.201 1.102 227 HA PRO 33 HA PRO 33 20.274 16.986 -6.896 228 HB2 PRO 33 HB2 PRO 33 19.250 19.402 -6.199 229 HB3 PRO 33 HB3 PRO 33 18.482 17.871 -5.762 230 HG2 PRO 33 HG2 PRO 33 20.238 19.648 -4.112 231 HG3 PRO 33 HG3 PRO 33 18.745 18.810 -3.651 232 HD2 PRO 33 HD2 PRO 33 21.202 17.872 -3.004 233 HD3 PRO 33 HD3 PRO 33 19.825 16.799 -3.328 234 H GLU 34 H GLU 34 22.869 18.411 -5.310 235 HA GLU 34 HA GLU 34 24.602 19.710 -6.012 236 HB2 GLU 34 HB2 GLU 34 24.118 18.276 -8.148 237 HB3 GLU 34 HB3 GLU 34 23.485 19.785 -8.791 238 HG2 GLU 34 HG2 GLU 34 25.616 20.866 -8.468 239 HG3 GLU 34 HG3 GLU 34 26.264 19.419 -7.697 240 H GLY 35 H GLY 35 22.006 20.844 -5.166 241 HA2 GLY 35 HA2 GLY 35 22.585 23.584 -5.861 242 HA3 GLY 35 HA3 GLY 35 21.059 23.002 -6.510 243 H GLU 36 H GLU 36 19.909 21.576 -4.618 244 HA GLU 36 HA GLU 36 19.562 23.510 -2.441 245 HB2 GLU 36 HB2 GLU 36 17.726 22.185 -4.049 246 HB3 GLU 36 HB3 GLU 36 17.649 21.316 -2.524 247 HG2 GLU 36 HG2 GLU 36 17.137 23.338 -1.334 248 HG3 GLU 36 HG3 GLU 36 17.369 24.299 -2.794 249 H ASP 37 H ASP 37 21.087 22.996 -0.941 250 HA ASP 37 HA ASP 37 21.533 20.248 -0.152 251 HB2 ASP 37 HB2 ASP 37 22.686 22.870 0.804 252 HB3 ASP 37 HB3 ASP 37 23.115 21.315 1.512 253 H LYS 38 H LYS 38 18.968 20.584 0.304 254 HA LYS 38 HA LYS 38 18.726 21.123 3.192 255 HB2 LYS 38 HB2 LYS 38 17.078 21.890 0.921 256 HB3 LYS 38 HB3 LYS 38 16.146 21.042 2.148 257 HG2 LYS 38 HG2 LYS 38 17.877 23.454 2.652 258 HG3 LYS 38 HG3 LYS 38 16.123 23.479 2.448 259 HD2 LYS 38 HD2 LYS 38 17.037 21.555 4.448 260 HD3 LYS 38 HD3 LYS 38 17.455 23.226 4.836 261 HE2 LYS 38 HE2 LYS 38 15.377 23.196 5.741 262 HE3 LYS 38 HE3 LYS 38 14.921 23.594 4.086 263 HZ1 LYS 38 HZ1 LYS 38 14.016 21.571 3.751 264 HZ2 LYS 38 HZ2 LYS 38 13.846 21.590 5.434 265 HZ3 LYS 38 HZ3 LYS 38 15.140 20.763 4.725 266 H THR 39 H THR 39 18.427 18.795 0.692 267 HA THR 39 HA THR 39 17.826 16.734 2.632 268 HB THR 39 HB THR 39 15.569 17.419 2.010 269 HG1 THR 39 HG1 THR 39 15.569 15.273 2.329 270 HG21 THR 39 HG21 THR 39 14.779 17.601 -0.156 271 HG22 THR 39 HG22 THR 39 16.036 16.554 -0.814 272 HG23 THR 39 HG23 THR 39 16.426 18.204 -0.332 273 H GLU 40 H GLU 40 18.489 14.698 1.990 274 HA GLU 40 HA GLU 40 20.150 14.654 -0.417 275 HB2 GLU 40 HB2 GLU 40 19.998 12.667 1.857 276 HB3 GLU 40 HB3 GLU 40 21.167 12.649 0.545 277 HG2 GLU 40 HG2 GLU 40 22.270 14.544 1.342 278 HG3 GLU 40 HG3 GLU 40 20.924 14.999 2.384 279 H VAL 41 H VAL 41 19.617 13.545 -2.185 280 HA VAL 41 HA VAL 41 17.098 12.135 -2.265 281 HB VAL 41 HB VAL 41 19.088 12.361 -4.516 282 HG11 VAL 41 HG11 VAL 41 17.498 10.957 -5.326 283 HG12 VAL 41 HG12 VAL 41 16.247 11.569 -4.241 284 HG13 VAL 41 HG13 VAL 41 16.695 12.487 -5.679 285 HG21 VAL 41 HG21 VAL 41 18.802 14.600 -3.846 286 HG22 VAL 41 HG22 VAL 41 17.681 14.371 -5.188 287 HG23 VAL 41 HG23 VAL 41 17.083 14.371 -3.528 288 H CYS 42 H CYS 42 16.932 10.071 -1.719 289 HA CYS 42 HA CYS 42 19.235 8.295 -2.187 290 HB2 CYS 42 HB2 CYS 42 17.000 8.089 -0.159 291 HB3 CYS 42 HB3 CYS 42 18.223 6.850 -0.418 292 H SER 43 H SER 43 18.982 7.092 -3.943 293 HA SER 43 HA SER 43 16.342 5.895 -4.452 294 HB2 SER 43 HB2 SER 43 16.502 6.297 -6.782 295 HB3 SER 43 HB3 SER 43 16.963 7.819 -6.022 296 HG SER 43 HG SER 43 18.604 7.561 -7.357 297 H CYS 44 H CYS 44 16.493 3.970 -5.926 298 HA CYS 44 HA CYS 44 18.545 2.208 -4.932 299 HB2 CYS 44 HB2 CYS 44 16.327 1.677 -6.921 300 HB3 CYS 44 HB3 CYS 44 17.326 0.456 -6.139 301 H GLN 45 H GLN 45 20.414 1.770 -5.888 302 HA GLN 45 HA GLN 45 20.659 2.234 -8.785 303 HB2 GLN 45 HB2 GLN 45 22.645 2.936 -6.620 304 HB3 GLN 45 HB3 GLN 45 23.026 2.940 -8.337 305 HG2 GLN 45 HG2 GLN 45 20.664 4.506 -7.529 306 HG3 GLN 45 HG3 GLN 45 22.228 5.107 -6.981 307 HE21 GLN 45 HE21 GLN 45 20.188 4.488 -9.711 308 HE22 GLN 45 HE22 GLN 45 21.132 5.347 -10.875 309 H GLN 46 H GLN 46 22.472 1.040 -9.787 310 HA GLN 46 HA GLN 46 22.514 -1.679 -8.783 311 HB2 GLN 46 HB2 GLN 46 22.845 -0.378 -11.352 312 HB3 GLN 46 HB3 GLN 46 24.122 -1.552 -11.063 313 HG2 GLN 46 HG2 GLN 46 22.737 -3.303 -11.252 314 HG3 GLN 46 HG3 GLN 46 21.418 -2.483 -10.417 315 HE21 GLN 46 HE21 GLN 46 19.715 -2.525 -11.699 316 HE22 GLN 46 HE22 GLN 46 19.699 -2.119 -13.377 317 HA PRO 47 HA PRO 47 26.538 -1.702 -7.040 318 HB2 PRO 47 HB2 PRO 47 27.481 -4.131 -7.800 319 HB3 PRO 47 HB3 PRO 47 26.218 -3.931 -6.579 320 HG2 PRO 47 HG2 PRO 47 25.955 -4.627 -9.479 321 HG3 PRO 47 HG3 PRO 47 25.113 -5.318 -8.082 322 HD2 PRO 47 HD2 PRO 47 23.974 -3.472 -9.703 323 HD3 PRO 47 HD3 PRO 47 23.607 -3.577 -7.968 324 H LYS 48 H LYS 48 28.913 -2.481 -7.690 325 HA LYS 48 HA LYS 48 29.893 -0.712 -9.569 326 HB2 LYS 48 HB2 LYS 48 31.058 -3.293 -8.525 327 HB3 LYS 48 HB3 LYS 48 31.954 -2.196 -9.567 328 HG2 LYS 48 HG2 LYS 48 31.176 -0.461 -7.688 329 HG3 LYS 48 HG3 LYS 48 31.217 -1.935 -6.720 330 HD2 LYS 48 HD2 LYS 48 33.549 -1.819 -8.375 331 HD3 LYS 48 HD3 LYS 48 33.382 -0.301 -7.491 332 HE2 LYS 48 HE2 LYS 48 34.709 -1.956 -6.251 333 HE3 LYS 48 HE3 LYS 48 33.235 -1.508 -5.393 334 HZ1 LYS 48 HZ1 LYS 48 33.890 -3.981 -5.578 335 HZ2 LYS 48 HZ2 LYS 48 33.255 -3.876 -7.142 336 HZ3 LYS 48 HZ3 LYS 48 32.272 -3.544 -5.806 337 H SER 49 H SER 49 29.313 -0.635 -11.643 338 HA SER 49 HA SER 49 28.684 -3.030 -13.128 339 HB2 SER 49 HB2 SER 49 28.921 -0.651 -14.762 340 HB3 SER 49 HB3 SER 49 27.494 -1.629 -14.416 341 HG SER 49 HG SER 49 27.037 0.307 -13.537 342 H HIS 50 H HIS 50 29.596 -2.598 -15.632 343 HA HIS 50 HA HIS 50 32.468 -2.165 -15.553 344 HB2 HIS 50 HB2 HIS 50 31.459 -4.754 -15.240 345 HB3 HIS 50 HB3 HIS 50 31.941 -4.662 -16.932 346 HD1 HIS 50 HD1 HIS 50 34.425 -2.751 -16.402 347 HD2 HIS 50 HD2 HIS 50 33.592 -6.308 -14.424 348 HE1 HIS 50 HE1 HIS 50 36.632 -3.556 -15.508 349 H LYS 51 H LYS 51 33.161 -3.210 -17.990 350 HA LYS 51 HA LYS 51 31.492 -1.629 -19.829 351 HB2 LYS 51 HB2 LYS 51 34.108 -1.238 -19.298 352 HB3 LYS 51 HB3 LYS 51 34.242 -2.377 -20.630 353 HG2 LYS 51 HG2 LYS 51 32.518 -0.737 -21.760 354 HG3 LYS 51 HG3 LYS 51 33.213 0.407 -20.609 355 HD2 LYS 51 HD2 LYS 51 35.319 -1.082 -21.840 356 HD3 LYS 51 HD3 LYS 51 34.266 -0.423 -23.094 357 HE2 LYS 51 HE2 LYS 51 34.701 1.759 -22.497 358 HE3 LYS 51 HE3 LYS 51 35.126 1.332 -20.840 359 HZ1 LYS 51 HZ1 LYS 51 37.159 0.272 -21.755 360 HZ2 LYS 51 HZ2 LYS 51 37.103 1.947 -21.983 361 HZ3 LYS 51 HZ3 LYS 51 36.769 0.907 -23.275 362 H ILE 52 H ILE 52 30.745 -4.251 -19.226 363 HA ILE 52 HA ILE 52 31.398 -5.654 -21.735 364 HB ILE 52 HB ILE 52 30.601 -6.892 -19.096 365 HG12 ILE 52 HG12 ILE 52 33.247 -6.934 -20.566 366 HG13 ILE 52 HG13 ILE 52 32.904 -6.006 -19.111 367 HG21 ILE 52 HG21 ILE 52 31.682 -8.780 -20.901 368 HG22 ILE 52 HG22 ILE 52 30.044 -8.699 -20.254 369 HG23 ILE 52 HG23 ILE 52 30.438 -7.875 -21.763 370 HD11 ILE 52 HD11 ILE 52 33.186 -8.963 -19.433 371 HD12 ILE 52 HD12 ILE 52 34.027 -7.874 -18.329 372 HD13 ILE 52 HD13 ILE 52 32.332 -8.272 -18.054 373 H ALA 53 H ALA 53 29.766 -5.925 -23.102 374 HA ALA 53 HA ALA 53 27.670 -5.967 -23.988 375 HB1 ALA 53 HB1 ALA 53 26.620 -6.915 -21.348 376 HB2 ALA 53 HB2 ALA 53 26.116 -7.368 -22.977 377 HB3 ALA 53 HB3 ALA 53 27.653 -7.947 -22.336 378 H GLU 54 H GLU 54 28.501 -3.498 -22.927 379 HA GLU 54 HA GLU 54 25.951 -2.398 -21.941 380 HB2 GLU 54 HB2 GLU 54 28.555 -2.179 -20.839 381 HB3 GLU 54 HB3 GLU 54 28.125 -0.596 -21.470 382 HG2 GLU 54 HG2 GLU 54 26.571 -2.224 -19.475 383 HG3 GLU 54 HG3 GLU 54 27.482 -0.748 -19.162 384 H LYS 55 H LYS 55 26.947 -2.839 -24.716 385 HA LYS 55 HA LYS 55 26.876 -0.039 -25.635 386 HB2 LYS 55 HB2 LYS 55 28.095 -0.756 -27.631 387 HB3 LYS 55 HB3 LYS 55 29.005 -1.128 -26.172 388 HG2 LYS 55 HG2 LYS 55 27.887 -3.462 -26.385 389 HG3 LYS 55 HG3 LYS 55 27.620 -2.977 -28.061 390 HD2 LYS 55 HD2 LYS 55 30.045 -2.516 -28.268 391 HD3 LYS 55 HD3 LYS 55 30.271 -3.123 -26.626 392 HE2 LYS 55 HE2 LYS 55 29.711 -5.309 -27.233 393 HE3 LYS 55 HE3 LYS 55 28.935 -4.791 -28.729 394 HZ1 LYS 55 HZ1 LYS 55 30.900 -4.660 -29.813 395 HZ2 LYS 55 HZ2 LYS 55 31.350 -5.831 -28.679 396 HZ3 LYS 55 HZ3 LYS 55 31.779 -4.212 -28.439 397 H ILE 56 H ILE 56 25.723 0.377 -27.613 398 HA ILE 56 HA ILE 56 23.682 -1.653 -28.243 399 HB ILE 56 HB ILE 56 22.062 0.179 -28.612 400 HG12 ILE 56 HG12 ILE 56 24.072 1.951 -27.216 401 HG13 ILE 56 HG13 ILE 56 23.841 1.939 -28.961 402 HG21 ILE 56 HG21 ILE 56 22.414 -1.100 -26.405 403 HG22 ILE 56 HG22 ILE 56 23.093 0.414 -25.809 404 HG23 ILE 56 HG23 ILE 56 21.425 0.361 -26.380 405 HD11 ILE 56 HD11 ILE 56 21.461 2.357 -27.246 406 HD12 ILE 56 HD12 ILE 56 22.621 3.676 -27.409 407 HD13 ILE 56 HD13 ILE 56 21.841 3.007 -28.841 408 H ILE 57 H ILE 57 22.524 -1.057 -30.364 409 HA ILE 57 HA ILE 57 24.587 -0.316 -32.326 410 HB ILE 57 HB ILE 57 23.698 -2.621 -32.508 411 HG12 ILE 57 HG12 ILE 57 22.610 -1.747 -34.990 412 HG13 ILE 57 HG13 ILE 57 23.918 -0.649 -34.561 413 HG21 ILE 57 HG21 ILE 57 21.092 -1.307 -33.256 414 HG22 ILE 57 HG22 ILE 57 21.431 -3.036 -33.179 415 HG23 ILE 57 HG23 ILE 57 21.413 -2.074 -31.701 416 HD11 ILE 57 HD11 ILE 57 24.930 -2.320 -35.827 417 HD12 ILE 57 HD12 ILE 57 25.305 -2.750 -34.157 418 HD13 ILE 57 HD13 ILE 57 24.029 -3.604 -35.022 419 H ASP 58 H ASP 58 24.254 1.308 -33.739 420 HA ASP 58 HA ASP 58 22.233 3.215 -33.230 421 HB2 ASP 58 HB2 ASP 58 24.634 3.219 -34.574 422 HB3 ASP 58 HB3 ASP 58 23.467 3.372 -35.884 423 H LYS 59 H LYS 59 20.329 3.661 -34.233 424 HA LYS 59 HA LYS 59 19.131 1.531 -35.764 425 HB2 LYS 59 HB2 LYS 59 18.106 4.164 -34.716 426 HB3 LYS 59 HB3 LYS 59 17.129 3.118 -35.737 427 HG2 LYS 59 HG2 LYS 59 18.384 1.930 -33.324 428 HG3 LYS 59 HG3 LYS 59 17.006 3.011 -33.104 429 HD2 LYS 59 HD2 LYS 59 15.700 1.254 -33.517 430 HD3 LYS 59 HD3 LYS 59 16.248 1.346 -35.193 431 HE2 LYS 59 HE2 LYS 59 18.068 -0.190 -34.701 432 HE3 LYS 59 HE3 LYS 59 17.588 -0.243 -33.005 433 HZ1 LYS 59 HZ1 LYS 59 16.820 -2.149 -34.415 434 HZ2 LYS 59 HZ2 LYS 59 15.788 -1.069 -35.209 435 HZ3 LYS 59 HZ3 LYS 59 15.599 -1.357 -33.552 436 H ALA 60 H ALA 60 20.569 1.708 -37.619 437 HA ALA 60 HA ALA 60 20.456 4.060 -39.271 438 HB1 ALA 60 HB1 ALA 60 21.379 1.639 -40.591 439 HB2 ALA 60 HB2 ALA 60 22.215 3.166 -40.312 440 HB3 ALA 60 HB3 ALA 60 22.190 1.932 -39.053 441 H LYS 61 H LYS 61 19.537 4.201 -41.362 442 HA LYS 61 HA LYS 61 16.917 3.313 -41.599 443 HB2 LYS 61 HB2 LYS 61 18.712 4.027 -43.920 444 HB3 LYS 61 HB3 LYS 61 16.961 4.163 -43.845 445 HG2 LYS 61 HG2 LYS 61 17.353 5.813 -41.932 446 HG3 LYS 61 HG3 LYS 61 19.030 5.848 -42.483 447 HD2 LYS 61 HD2 LYS 61 18.062 7.631 -43.621 448 HD3 LYS 61 HD3 LYS 61 18.017 6.327 -44.810 449 HE2 LYS 61 HE2 LYS 61 15.663 6.450 -43.071 450 HE3 LYS 61 HE3 LYS 61 15.887 7.878 -44.081 451 HZ1 LYS 61 HZ1 LYS 61 16.320 5.527 -45.595 452 HZ2 LYS 61 HZ2 LYS 61 15.185 6.757 -45.840 453 HZ3 LYS 61 HZ3 LYS 61 14.809 5.449 -44.836 454 H THR 62 H THR 62 16.047 1.420 -42.107 455 HA THR 62 HA THR 62 17.755 -0.723 -43.081 456 HB THR 62 HB THR 62 15.280 -1.854 -42.854 457 HG1 THR 62 HG1 THR 62 14.092 -0.791 -41.441 458 HG21 THR 62 HG21 THR 62 17.224 -2.812 -41.857 459 HG22 THR 62 HG22 THR 62 16.055 -2.551 -40.562 460 HG23 THR 62 HG23 THR 62 17.412 -1.442 -40.762 461 H THR 63 H THR 63 18.085 -0.177 -45.244 462 HA THR 63 HA THR 63 16.084 0.560 -47.066 463 HB THR 63 HB THR 63 18.056 -0.906 -48.484 464 HG1 THR 63 HG1 THR 63 19.948 0.082 -47.588 465 HG21 THR 63 HG21 THR 63 18.597 1.203 -49.416 466 HG22 THR 63 HG22 THR 63 18.041 2.063 -47.980 467 HG23 THR 63 HG23 THR 63 16.876 1.272 -49.041 468 H LEU 64 H LEU 64 15.311 -0.725 -48.917 469 HA LEU 64 HA LEU 64 13.899 -2.985 -48.125 470 HB2 LEU 64 HB2 LEU 64 13.416 -1.511 -50.090 471 HB3 LEU 64 HB3 LEU 64 14.723 -2.326 -50.947 472 HG LEU 64 HG LEU 64 12.607 -4.066 -49.840 473 HD11 LEU 64 HD11 LEU 64 12.066 -1.886 -51.758 474 HD12 LEU 64 HD12 LEU 64 10.983 -2.712 -50.638 475 HD13 LEU 64 HD13 LEU 64 11.424 -3.478 -52.165 476 HD21 LEU 64 HD21 LEU 64 14.729 -4.341 -51.569 477 HD22 LEU 64 HD22 LEU 64 13.338 -4.265 -52.651 478 HD23 LEU 64 HD23 LEU 64 13.397 -5.481 -51.374 Start of MODEL 3 1 H1 ALA 1 H ALA 1 2.240 -8.334 -1.534 2 HA ALA 1 HA ALA 1 -0.210 -7.872 -2.741 3 HB1 ALA 1 HB1 ALA 1 -0.769 -7.703 -0.603 4 HB2 ALA 1 HB2 ALA 1 0.928 -7.530 -0.149 5 HB3 ALA 1 HB3 ALA 1 -0.028 -6.103 -0.550 6 H LYS 2 H LYS 2 2.445 -5.615 -2.136 7 HA LYS 2 HA LYS 2 1.137 -3.714 -3.964 8 HB2 LYS 2 HB2 LYS 2 1.804 -1.860 -2.634 9 HB3 LYS 2 HB3 LYS 2 1.047 -3.010 -1.540 10 HG2 LYS 2 HG2 LYS 2 3.532 -3.822 -1.220 11 HG3 LYS 2 HG3 LYS 2 3.889 -2.177 -1.752 12 HD2 LYS 2 HD2 LYS 2 3.752 -1.939 0.549 13 HD3 LYS 2 HD3 LYS 2 2.126 -1.491 0.024 14 HE2 LYS 2 HE2 LYS 2 1.456 -3.883 0.447 15 HE3 LYS 2 HE3 LYS 2 3.032 -4.112 1.203 16 HZ1 LYS 2 HZ1 LYS 2 2.295 -2.039 2.571 17 HZ2 LYS 2 HZ2 LYS 2 1.745 -3.579 2.999 18 HZ3 LYS 2 HZ3 LYS 2 0.738 -2.533 2.130 19 H ALA 3 H ALA 3 2.617 -2.265 -5.083 20 HA ALA 3 HA ALA 3 4.782 -3.614 -6.247 21 HB1 ALA 3 HB1 ALA 3 3.633 -0.907 -6.402 22 HB2 ALA 3 HB2 ALA 3 5.329 -1.048 -6.866 23 HB3 ALA 3 HB3 ALA 3 4.105 -2.018 -7.687 24 H CYS 4 H CYS 4 7.025 -3.274 -6.106 25 HA CYS 4 HA CYS 4 7.906 -2.415 -3.452 26 HB2 CYS 4 HB2 CYS 4 9.997 -3.600 -3.988 27 HB3 CYS 4 HB3 CYS 4 8.593 -4.648 -4.164 28 H THR 5 H THR 5 10.505 -1.771 -3.852 29 HA THR 5 HA THR 5 10.311 0.691 -5.455 30 HB THR 5 HB THR 5 12.198 0.138 -3.159 31 HG1 THR 5 HG1 THR 5 9.967 1.883 -3.078 32 HG21 THR 5 HG21 THR 5 13.026 2.242 -3.426 33 HG22 THR 5 HG22 THR 5 11.504 2.879 -4.049 34 HG23 THR 5 HG23 THR 5 12.565 1.942 -5.100 35 HA PRO 6 HA PRO 6 13.347 -1.831 -7.795 36 HB2 PRO 6 HB2 PRO 6 12.690 -0.759 -10.202 37 HB3 PRO 6 HB3 PRO 6 11.804 -2.105 -9.475 38 HG2 PRO 6 HG2 PRO 6 11.128 0.811 -9.509 39 HG3 PRO 6 HG3 PRO 6 10.068 -0.586 -9.768 40 HD2 PRO 6 HD2 PRO 6 10.178 0.741 -7.410 41 HD3 PRO 6 HD3 PRO 6 9.854 -1.002 -7.511 42 H LEU 7 H LEU 7 14.642 -0.745 -9.882 43 HA LEU 7 HA LEU 7 16.410 1.104 -8.662 44 HB2 LEU 7 HB2 LEU 7 16.821 -0.644 -10.536 45 HB3 LEU 7 HB3 LEU 7 16.302 0.648 -11.616 46 HG LEU 7 HG LEU 7 18.243 1.821 -10.002 47 HD11 LEU 7 HD11 LEU 7 18.764 -1.057 -10.393 48 HD12 LEU 7 HD12 LEU 7 19.355 0.049 -9.154 49 HD13 LEU 7 HD13 LEU 7 20.099 0.037 -10.753 50 HD21 LEU 7 HD21 LEU 7 19.553 1.168 -12.311 51 HD22 LEU 7 HD22 LEU 7 18.476 2.550 -12.104 52 HD23 LEU 7 HD23 LEU 7 17.861 1.047 -12.794 53 H LEU 8 H LEU 8 16.900 3.257 -9.312 54 HA LEU 8 HA LEU 8 16.408 5.408 -9.860 55 HB2 LEU 8 HB2 LEU 8 14.386 4.311 -11.794 56 HB3 LEU 8 HB3 LEU 8 15.225 5.860 -11.866 57 HG LEU 8 HG LEU 8 16.584 3.188 -12.198 58 HD11 LEU 8 HD11 LEU 8 15.035 4.810 -14.071 59 HD12 LEU 8 HD12 LEU 8 15.554 3.129 -14.182 60 HD13 LEU 8 HD13 LEU 8 16.662 4.424 -14.632 61 HD21 LEU 8 HD21 LEU 8 18.215 4.884 -13.379 62 HD22 LEU 8 HD22 LEU 8 18.280 4.616 -11.638 63 HD23 LEU 8 HD23 LEU 8 17.451 6.034 -12.281 64 H HIS 9 H HIS 9 14.912 3.972 -7.790 65 HA HIS 9 HA HIS 9 12.585 5.762 -7.673 66 HB2 HIS 9 HB2 HIS 9 12.623 2.834 -7.566 67 HB3 HIS 9 HB3 HIS 9 11.767 3.574 -6.216 68 HD1 HIS 9 HD1 HIS 9 9.751 5.206 -6.899 69 HD2 HIS 9 HD2 HIS 9 11.232 2.767 -9.919 70 HE1 HIS 9 HE1 HIS 9 7.991 5.214 -8.693 71 H ASP 10 H ASP 10 12.215 6.725 -5.732 72 HA ASP 10 HA ASP 10 14.308 6.940 -3.884 73 HB2 ASP 10 HB2 ASP 10 12.453 7.982 -2.410 74 HB3 ASP 10 HB3 ASP 10 12.849 8.766 -3.936 75 H CYS 11 H CYS 11 14.779 5.947 -1.995 76 HA CYS 11 HA CYS 11 12.931 3.855 -1.053 77 HB2 CYS 11 HB2 CYS 11 14.751 2.358 -0.644 78 HB3 CYS 11 HB3 CYS 11 14.920 2.937 -2.298 79 H SER 12 H SER 12 13.697 6.711 -0.246 80 HA SER 12 HA SER 12 15.116 6.750 2.134 81 HB2 SER 12 HB2 SER 12 14.424 8.798 1.003 82 HB3 SER 12 HB3 SER 12 12.731 8.439 1.338 83 HG SER 12 HG SER 12 14.773 9.197 3.127 84 H HIS 13 H HIS 13 11.791 5.822 1.518 85 HA HIS 13 HA HIS 13 10.829 5.806 4.145 86 HB2 HIS 13 HB2 HIS 13 10.080 4.264 1.675 87 HB3 HIS 13 HB3 HIS 13 9.273 3.960 3.210 88 HD1 HIS 13 HD1 HIS 13 7.117 5.145 3.277 89 HD2 HIS 13 HD2 HIS 13 10.012 7.348 1.270 90 HE1 HIS 13 HE1 HIS 13 5.984 7.285 2.600 91 H ASP 14 H ASP 14 12.751 3.475 2.367 92 HA ASP 14 HA ASP 14 13.587 2.197 4.784 93 HB2 ASP 14 HB2 ASP 14 11.385 1.038 3.245 94 HB3 ASP 14 HB3 ASP 14 12.728 -0.078 3.478 95 H ARG 15 H ARG 15 15.672 1.855 4.450 96 HA ARG 15 HA ARG 15 16.866 1.902 1.886 97 HB2 ARG 15 HB2 ARG 15 18.933 1.590 2.997 98 HB3 ARG 15 HB3 ARG 15 17.941 2.542 4.093 99 HG2 ARG 15 HG2 ARG 15 17.414 0.506 5.361 100 HG3 ARG 15 HG3 ARG 15 18.458 -0.417 4.278 101 HD2 ARG 15 HD2 ARG 15 20.318 0.271 5.314 102 HD3 ARG 15 HD3 ARG 15 19.758 1.939 5.396 103 HE ARG 15 HE ARG 15 18.282 0.698 7.291 104 HH11 ARG 15 HH11 ARG 15 21.696 0.838 6.629 105 HH12 ARG 15 HH12 ARG 15 22.158 0.664 8.290 106 HH21 ARG 15 HH21 ARG 15 18.877 0.467 9.482 107 HH22 ARG 15 HH22 ARG 15 20.553 0.452 9.911 108 H HIS 16 H HIS 16 15.295 -0.564 3.578 109 HA HIS 16 HA HIS 16 16.635 -2.639 1.976 110 HB2 HIS 16 HB2 HIS 16 15.753 -4.256 3.630 111 HB3 HIS 16 HB3 HIS 16 16.814 -3.059 4.365 112 HD1 HIS 16 HD1 HIS 16 13.067 -3.494 3.830 113 HD2 HIS 16 HD2 HIS 16 15.766 -2.004 6.615 114 HE1 HIS 16 HE1 HIS 16 11.672 -2.751 5.786 115 H SER 17 H SER 17 14.077 -0.715 1.778 116 HA SER 17 HA SER 17 11.980 -2.599 1.228 117 HB2 SER 17 HB2 SER 17 12.274 0.321 1.315 118 HB3 SER 17 HB3 SER 17 11.180 -0.245 0.052 119 HG SER 17 HG SER 17 9.859 -0.192 1.734 120 H CYS 18 H CYS 18 14.581 -1.216 -0.534 121 HA CYS 18 HA CYS 18 13.667 -1.162 -3.136 122 HB2 CYS 18 HB2 CYS 18 16.352 -1.825 -1.959 123 HB3 CYS 18 HB3 CYS 18 16.094 -1.866 -3.700 124 H CYS 19 H CYS 19 13.337 -2.632 -4.742 125 HA CYS 19 HA CYS 19 12.457 -5.178 -4.161 126 HB2 CYS 19 HB2 CYS 19 13.656 -4.245 -6.778 127 HB3 CYS 19 HB3 CYS 19 12.597 -5.636 -6.564 128 H ARG 20 H ARG 20 13.400 -7.248 -5.118 129 HA ARG 20 HA ARG 20 16.309 -7.358 -4.687 130 HB2 ARG 20 HB2 ARG 20 15.927 -9.604 -3.602 131 HB3 ARG 20 HB3 ARG 20 15.389 -8.215 -2.669 132 HG2 ARG 20 HG2 ARG 20 13.410 -9.539 -4.436 133 HG3 ARG 20 HG3 ARG 20 13.899 -10.376 -2.962 134 HD2 ARG 20 HD2 ARG 20 13.460 -8.012 -1.882 135 HD3 ARG 20 HD3 ARG 20 12.427 -7.810 -3.296 136 HE ARG 20 HE ARG 20 10.937 -9.279 -2.372 137 HH11 ARG 20 HH11 ARG 20 13.992 -9.571 -0.728 138 HH12 ARG 20 HH12 ARG 20 13.379 -10.627 0.500 139 HH21 ARG 20 HH21 ARG 20 10.117 -10.669 -0.760 140 HH22 ARG 20 HH22 ARG 20 11.175 -11.251 0.481 141 H GLY 21 H GLY 21 17.345 -9.264 -5.647 142 HA2 GLY 21 HA2 GLY 21 15.840 -10.254 -7.991 143 HA3 GLY 21 HA3 GLY 21 17.529 -9.780 -8.084 144 H ASP 22 H ASP 22 17.552 -12.043 -9.017 145 HA ASP 22 HA ASP 22 17.407 -14.191 -7.081 146 HB2 ASP 22 HB2 ASP 22 16.725 -14.417 -9.510 147 HB3 ASP 22 HB3 ASP 22 18.437 -14.345 -9.916 148 H MET 23 H MET 23 19.878 -12.364 -8.800 149 HA MET 23 HA MET 23 22.008 -13.942 -7.599 150 HB2 MET 23 HB2 MET 23 22.227 -11.503 -9.371 151 HB3 MET 23 HB3 MET 23 23.516 -12.628 -8.963 152 HG2 MET 23 HG2 MET 23 21.901 -14.382 -10.047 153 HG3 MET 23 HG3 MET 23 21.232 -12.956 -10.838 154 HE1 MET 23 HE1 MET 23 23.558 -15.525 -12.683 155 HE2 MET 23 HE2 MET 23 24.783 -15.381 -11.423 156 HE3 MET 23 HE3 MET 23 23.102 -15.699 -10.989 157 H PHE 24 H PHE 24 21.498 -10.423 -7.887 158 HA PHE 24 HA PHE 24 22.168 -10.158 -5.041 159 HB2 PHE 24 HB2 PHE 24 23.455 -8.732 -7.360 160 HB3 PHE 24 HB3 PHE 24 23.454 -8.037 -5.742 161 HD1 PHE 24 HD2 PHE 24 24.445 -9.448 -3.854 162 HD2 PHE 24 HD1 PHE 24 25.071 -10.277 -7.982 163 HE1 PHE 24 HE2 PHE 24 26.432 -10.781 -3.282 164 HE2 PHE 24 HE1 PHE 24 27.059 -11.611 -7.417 165 HZ PHE 24 HZ PHE 24 27.743 -11.864 -5.063 166 H LYS 25 H LYS 25 21.479 -8.125 -4.089 167 HA LYS 25 HA LYS 25 19.022 -7.152 -5.355 168 HB2 LYS 25 HB2 LYS 25 18.435 -6.310 -3.120 169 HB3 LYS 25 HB3 LYS 25 18.778 -8.034 -3.096 170 HG2 LYS 25 HG2 LYS 25 21.039 -6.228 -2.505 171 HG3 LYS 25 HG3 LYS 25 19.756 -6.326 -1.298 172 HD2 LYS 25 HD2 LYS 25 20.083 -8.937 -1.798 173 HD3 LYS 25 HD3 LYS 25 21.713 -8.369 -2.170 174 HE2 LYS 25 HE2 LYS 25 21.709 -8.962 0.125 175 HE3 LYS 25 HE3 LYS 25 21.693 -7.201 0.061 176 HZ1 LYS 25 HZ1 LYS 25 19.909 -7.271 1.349 177 HZ2 LYS 25 HZ2 LYS 25 19.812 -8.956 1.243 178 HZ3 LYS 25 HZ3 LYS 25 19.047 -7.989 0.084 179 H TYR 26 H TYR 26 18.547 -4.915 -5.459 180 HA TYR 26 HA TYR 26 20.669 -3.291 -6.309 181 HB2 TYR 26 HB2 TYR 26 17.958 -2.341 -5.368 182 HB3 TYR 26 HB3 TYR 26 19.048 -1.513 -6.474 183 HD1 TYR 26 HD2 TYR 26 19.785 -3.239 -8.510 184 HD2 TYR 26 HD1 TYR 26 16.098 -3.224 -6.387 185 HE1 TYR 26 HE2 TYR 26 18.690 -4.338 -10.418 186 HE2 TYR 26 HE1 TYR 26 14.993 -4.324 -8.288 187 HH TYR 26 HH TYR 26 15.304 -4.603 -10.689 188 H VAL 27 H VAL 27 21.432 -1.283 -5.397 189 HA VAL 27 HA VAL 27 21.485 -1.344 -2.450 190 HB VAL 27 HB VAL 27 23.657 -0.032 -2.736 191 HG11 VAL 27 HG11 VAL 27 23.257 -2.589 -2.280 192 HG12 VAL 27 HG12 VAL 27 23.982 -2.764 -3.879 193 HG13 VAL 27 HG13 VAL 27 24.879 -1.966 -2.586 194 HG21 VAL 27 HG21 VAL 27 23.451 -1.157 -5.527 195 HG22 VAL 27 HG22 VAL 27 23.325 0.549 -5.100 196 HG23 VAL 27 HG23 VAL 27 24.841 -0.316 -4.841 197 H CYS 28 H CYS 28 20.776 0.385 -1.369 198 HA CYS 28 HA CYS 28 19.543 2.543 -2.764 199 HB2 CYS 28 HB2 CYS 28 19.877 1.734 0.079 200 HB3 CYS 28 HB3 CYS 28 19.519 3.429 -0.238 201 H ASP 29 H ASP 29 20.640 4.141 -3.678 202 HA ASP 29 HA ASP 29 23.098 5.100 -2.369 203 HB2 ASP 29 HB2 ASP 29 22.644 4.325 -5.021 204 HB3 ASP 29 HB3 ASP 29 22.718 6.085 -5.066 205 H CYS 30 H CYS 30 23.408 7.285 -2.016 206 HA CYS 30 HA CYS 30 21.006 8.965 -2.335 207 HB2 CYS 30 HB2 CYS 30 23.124 9.037 -0.176 208 HB3 CYS 30 HB3 CYS 30 21.827 10.217 -0.342 209 H PHE 31 H PHE 31 21.216 10.991 -3.179 210 HA PHE 31 HA PHE 31 23.877 12.048 -3.724 211 HB2 PHE 31 HB2 PHE 31 23.539 12.306 -6.073 212 HB3 PHE 31 HB3 PHE 31 23.169 10.629 -5.689 213 HD1 PHE 31 HD2 PHE 31 20.894 9.800 -5.792 214 HD2 PHE 31 HD1 PHE 31 21.814 13.841 -6.759 215 HE1 PHE 31 HE2 PHE 31 18.686 10.046 -6.847 216 HE2 PHE 31 HE1 PHE 31 19.606 14.094 -7.816 217 HZ PHE 31 HZ PHE 31 18.039 12.195 -7.863 218 H TYR 32 H TYR 32 23.429 14.214 -5.138 219 HA TYR 32 HA TYR 32 21.160 15.629 -3.924 220 HB2 TYR 32 HB2 TYR 32 23.872 16.917 -4.123 221 HB3 TYR 32 HB3 TYR 32 22.479 17.429 -3.175 222 HD1 TYR 32 HD2 TYR 32 25.241 14.998 -3.379 223 HD2 TYR 32 HD1 TYR 32 22.070 16.534 -0.994 224 HE1 TYR 32 HE2 TYR 32 26.147 13.814 -1.422 225 HE2 TYR 32 HE1 TYR 32 22.967 15.355 0.970 226 HH TYR 32 HH TYR 32 25.321 14.488 1.679 227 HA PRO 33 HA PRO 33 20.511 17.280 -7.941 228 HB2 PRO 33 HB2 PRO 33 19.325 19.641 -7.317 229 HB3 PRO 33 HB3 PRO 33 18.512 18.082 -7.145 230 HG2 PRO 33 HG2 PRO 33 19.862 19.755 -5.062 231 HG3 PRO 33 HG3 PRO 33 18.321 18.883 -4.970 232 HD2 PRO 33 HD2 PRO 33 20.610 17.916 -3.894 233 HD3 PRO 33 HD3 PRO 33 19.349 16.860 -4.560 234 H GLU 34 H GLU 34 22.785 18.496 -5.850 235 HA GLU 34 HA GLU 34 24.655 19.759 -6.182 236 HB2 GLU 34 HB2 GLU 34 24.337 18.778 -8.585 237 HB3 GLU 34 HB3 GLU 34 23.805 20.406 -8.982 238 HG2 GLU 34 HG2 GLU 34 25.885 21.323 -8.619 239 HG3 GLU 34 HG3 GLU 34 26.395 20.009 -7.560 240 H GLY 35 H GLY 35 22.087 20.848 -5.299 241 HA2 GLY 35 HA2 GLY 35 22.762 23.664 -5.630 242 HA3 GLY 35 HA3 GLY 35 21.165 23.181 -6.180 243 H GLU 36 H GLU 36 20.265 21.481 -4.321 244 HA GLU 36 HA GLU 36 20.114 23.184 -1.939 245 HB2 GLU 36 HB2 GLU 36 18.293 20.884 -2.641 246 HB3 GLU 36 HB3 GLU 36 18.008 22.165 -1.470 247 HG2 GLU 36 HG2 GLU 36 18.069 22.416 -4.466 248 HG3 GLU 36 HG3 GLU 36 16.673 22.584 -3.404 249 H ASP 37 H ASP 37 21.611 22.613 -0.486 250 HA ASP 37 HA ASP 37 22.297 19.810 -0.099 251 HB2 ASP 37 HB2 ASP 37 23.995 20.740 1.501 252 HB3 ASP 37 HB3 ASP 37 24.162 21.321 -0.154 253 H LYS 38 H LYS 38 19.673 21.071 0.711 254 HA LYS 38 HA LYS 38 19.768 20.647 3.611 255 HB2 LYS 38 HB2 LYS 38 18.639 22.682 2.440 256 HB3 LYS 38 HB3 LYS 38 17.333 21.553 2.107 257 HG2 LYS 38 HG2 LYS 38 16.650 21.496 4.256 258 HG3 LYS 38 HG3 LYS 38 18.287 21.653 4.897 259 HD2 LYS 38 HD2 LYS 38 18.275 24.037 4.278 260 HD3 LYS 38 HD3 LYS 38 16.616 23.863 3.701 261 HE2 LYS 38 HE2 LYS 38 16.506 24.779 5.893 262 HE3 LYS 38 HE3 LYS 38 15.995 23.095 6.006 263 HZ1 LYS 38 HZ1 LYS 38 17.490 23.642 7.800 264 HZ2 LYS 38 HZ2 LYS 38 18.676 24.159 6.711 265 HZ3 LYS 38 HZ3 LYS 38 18.235 22.528 6.767 266 H THR 39 H THR 39 18.921 19.079 0.728 267 HA THR 39 HA THR 39 17.735 16.885 2.243 268 HB THR 39 HB THR 39 16.382 17.815 -0.283 269 HG1 THR 39 HG1 THR 39 15.869 18.554 2.413 270 HG21 THR 39 HG21 THR 39 15.832 15.577 0.192 271 HG22 THR 39 HG22 THR 39 14.483 16.516 0.831 272 HG23 THR 39 HG23 THR 39 15.715 15.886 1.924 273 H GLU 40 H GLU 40 18.470 14.965 1.574 274 HA GLU 40 HA GLU 40 19.970 14.882 -0.954 275 HB2 GLU 40 HB2 GLU 40 21.229 13.047 -0.024 276 HB3 GLU 40 HB3 GLU 40 21.234 14.379 1.124 277 HG2 GLU 40 HG2 GLU 40 19.334 13.219 2.300 278 HG3 GLU 40 HG3 GLU 40 19.651 11.831 1.262 279 H VAL 41 H VAL 41 19.293 13.635 -2.576 280 HA VAL 41 HA VAL 41 16.834 12.145 -2.277 281 HB VAL 41 HB VAL 41 18.540 12.324 -4.756 282 HG11 VAL 41 HG11 VAL 41 15.572 11.914 -4.407 283 HG12 VAL 41 HG12 VAL 41 16.470 11.890 -5.926 284 HG13 VAL 41 HG13 VAL 41 16.741 10.632 -4.719 285 HG21 VAL 41 HG21 VAL 41 16.547 14.278 -3.643 286 HG22 VAL 41 HG22 VAL 41 18.197 14.582 -4.186 287 HG23 VAL 41 HG23 VAL 41 16.936 14.209 -5.361 288 H CYS 42 H CYS 42 16.777 10.090 -1.683 289 HA CYS 42 HA CYS 42 19.105 8.384 -2.270 290 HB2 CYS 42 HB2 CYS 42 17.067 8.180 -0.044 291 HB3 CYS 42 HB3 CYS 42 18.323 6.987 -0.355 292 H SER 43 H SER 43 18.741 7.113 -3.959 293 HA SER 43 HA SER 43 16.118 5.794 -4.175 294 HB2 SER 43 HB2 SER 43 16.472 5.884 -6.691 295 HB3 SER 43 HB3 SER 43 16.109 7.425 -5.914 296 HG SER 43 HG SER 43 18.398 6.587 -7.193 297 H CYS 44 H CYS 44 16.269 3.859 -5.726 298 HA CYS 44 HA CYS 44 18.382 2.158 -4.748 299 HB2 CYS 44 HB2 CYS 44 16.180 1.528 -6.726 300 HB3 CYS 44 HB3 CYS 44 17.190 0.361 -5.880 301 H GLN 45 H GLN 45 20.242 1.745 -5.736 302 HA GLN 45 HA GLN 45 20.426 2.171 -8.641 303 HB2 GLN 45 HB2 GLN 45 22.429 3.014 -6.540 304 HB3 GLN 45 HB3 GLN 45 22.748 3.021 -8.270 305 HG2 GLN 45 HG2 GLN 45 20.343 4.473 -7.367 306 HG3 GLN 45 HG3 GLN 45 21.903 5.163 -6.923 307 HE21 GLN 45 HE21 GLN 45 19.617 5.665 -8.987 308 HE22 GLN 45 HE22 GLN 45 20.493 6.051 -10.425 309 H GLN 46 H GLN 46 22.282 1.040 -9.640 310 HA GLN 46 HA GLN 46 22.465 -1.647 -8.571 311 HB2 GLN 46 HB2 GLN 46 22.724 -0.388 -11.171 312 HB3 GLN 46 HB3 GLN 46 24.055 -1.496 -10.863 313 HG2 GLN 46 HG2 GLN 46 22.756 -3.306 -11.040 314 HG3 GLN 46 HG3 GLN 46 21.421 -2.559 -10.164 315 HE21 GLN 46 HE21 GLN 46 19.663 -2.500 -11.347 316 HE22 GLN 46 HE22 GLN 46 19.578 -2.174 -13.042 317 HA PRO 47 HA PRO 47 26.497 -1.444 -6.857 318 HB2 PRO 47 HB2 PRO 47 27.554 -3.838 -7.579 319 HB3 PRO 47 HB3 PRO 47 26.290 -3.676 -6.354 320 HG2 PRO 47 HG2 PRO 47 26.046 -4.437 -9.239 321 HG3 PRO 47 HG3 PRO 47 25.245 -5.145 -7.825 322 HD2 PRO 47 HD2 PRO 47 24.009 -3.386 -9.471 323 HD3 PRO 47 HD3 PRO 47 23.656 -3.477 -7.733 324 H LYS 48 H LYS 48 28.904 -2.113 -7.506 325 HA LYS 48 HA LYS 48 30.728 -1.640 -8.780 326 HB2 LYS 48 HB2 LYS 48 29.293 -3.181 -10.364 327 HB3 LYS 48 HB3 LYS 48 29.089 -1.694 -11.282 328 HG2 LYS 48 HG2 LYS 48 31.484 -1.483 -11.540 329 HG3 LYS 48 HG3 LYS 48 31.741 -2.910 -10.532 330 HD2 LYS 48 HD2 LYS 48 31.935 -3.711 -12.722 331 HD3 LYS 48 HD3 LYS 48 30.292 -4.148 -12.247 332 HE2 LYS 48 HE2 LYS 48 30.183 -1.549 -13.352 333 HE3 LYS 48 HE3 LYS 48 31.164 -2.534 -14.436 334 HZ1 LYS 48 HZ1 LYS 48 29.196 -3.169 -15.249 335 HZ2 LYS 48 HZ2 LYS 48 28.336 -2.666 -13.882 336 HZ3 LYS 48 HZ3 LYS 48 29.105 -4.172 -13.889 337 H SER 49 H SER 49 31.059 0.454 -8.111 338 HA SER 49 HA SER 49 29.609 2.652 -9.275 339 HB2 SER 49 HB2 SER 49 32.148 2.927 -7.682 340 HB3 SER 49 HB3 SER 49 30.781 4.037 -7.780 341 HG SER 49 HG SER 49 29.981 3.041 -6.126 342 H HIS 50 H HIS 50 31.446 4.593 -9.715 343 HA HIS 50 HA HIS 50 32.234 4.205 -12.341 344 HB2 HIS 50 HB2 HIS 50 32.019 6.398 -11.038 345 HB3 HIS 50 HB3 HIS 50 33.656 6.091 -10.468 346 HD1 HIS 50 HD1 HIS 50 31.739 7.248 -13.416 347 HD2 HIS 50 HD2 HIS 50 35.664 6.263 -12.476 348 HE1 HIS 50 HE1 HIS 50 33.128 8.140 -15.313 349 H LYS 51 H LYS 51 34.418 4.359 -9.521 350 HA LYS 51 HA LYS 51 35.922 2.092 -10.291 351 HB2 LYS 51 HB2 LYS 51 36.683 4.638 -11.482 352 HB3 LYS 51 HB3 LYS 51 37.992 3.932 -10.545 353 HG2 LYS 51 HG2 LYS 51 37.145 1.773 -11.941 354 HG3 LYS 51 HG3 LYS 51 36.811 3.074 -13.088 355 HD2 LYS 51 HD2 LYS 51 39.006 2.404 -13.573 356 HD3 LYS 51 HD3 LYS 51 39.192 3.869 -12.608 357 HE2 LYS 51 HE2 LYS 51 39.209 2.048 -10.646 358 HE3 LYS 51 HE3 LYS 51 39.852 1.059 -11.955 359 HZ1 LYS 51 HZ1 LYS 51 41.771 2.193 -11.981 360 HZ2 LYS 51 HZ2 LYS 51 41.342 2.647 -10.409 361 HZ3 LYS 51 HZ3 LYS 51 41.034 3.691 -11.704 362 H ILE 52 H ILE 52 35.706 1.585 -8.119 363 HA ILE 52 HA ILE 52 37.225 3.293 -6.257 364 HB ILE 52 HB ILE 52 35.857 2.268 -4.442 365 HG12 ILE 52 HG12 ILE 52 33.685 1.485 -6.239 366 HG13 ILE 52 HG13 ILE 52 35.111 0.465 -6.400 367 HG21 ILE 52 HG21 ILE 52 33.951 3.682 -4.770 368 HG22 ILE 52 HG22 ILE 52 35.360 4.484 -5.462 369 HG23 ILE 52 HG23 ILE 52 34.195 3.686 -6.517 370 HD11 ILE 52 HD11 ILE 52 34.488 -0.652 -4.603 371 HD12 ILE 52 HD12 ILE 52 34.636 0.819 -3.641 372 HD13 ILE 52 HD13 ILE 52 33.097 0.416 -4.403 373 H ALA 53 H ALA 53 37.021 0.256 -7.761 374 HA ALA 53 HA ALA 53 39.330 -0.678 -6.268 375 HB1 ALA 53 HB1 ALA 53 36.736 -2.209 -6.333 376 HB2 ALA 53 HB2 ALA 53 38.288 -2.919 -5.885 377 HB3 ALA 53 HB3 ALA 53 37.603 -1.614 -4.915 378 H GLU 54 H GLU 54 36.916 -2.128 -8.462 379 HA GLU 54 HA GLU 54 37.117 -3.139 -10.489 380 HB2 GLU 54 HB2 GLU 54 38.131 -0.797 -10.940 381 HB3 GLU 54 HB3 GLU 54 39.676 -1.633 -10.941 382 HG2 GLU 54 HG2 GLU 54 38.106 -3.167 -12.612 383 HG3 GLU 54 HG3 GLU 54 37.627 -1.512 -12.983 384 H LYS 55 H LYS 55 38.178 -4.491 -8.267 385 HA LYS 55 HA LYS 55 39.539 -6.221 -7.674 386 HB2 LYS 55 HB2 LYS 55 39.861 -6.707 -10.631 387 HB3 LYS 55 HB3 LYS 55 39.890 -7.889 -9.328 388 HG2 LYS 55 HG2 LYS 55 37.519 -7.533 -8.927 389 HG3 LYS 55 HG3 LYS 55 37.479 -6.309 -10.198 390 HD2 LYS 55 HD2 LYS 55 37.780 -7.878 -11.890 391 HD3 LYS 55 HD3 LYS 55 38.437 -9.087 -10.783 392 HE2 LYS 55 HE2 LYS 55 35.577 -8.124 -10.802 393 HE3 LYS 55 HE3 LYS 55 36.146 -9.615 -11.553 394 HZ1 LYS 55 HZ1 LYS 55 37.094 -9.820 -9.036 395 HZ2 LYS 55 HZ2 LYS 55 35.662 -10.528 -9.590 396 HZ3 LYS 55 HZ3 LYS 55 35.613 -9.043 -8.782 397 H ILE 56 H ILE 56 40.888 -3.852 -7.637 398 HA ILE 56 HA ILE 56 43.289 -3.876 -9.157 399 HB ILE 56 HB ILE 56 42.489 -1.793 -8.235 400 HG12 ILE 56 HG12 ILE 56 44.939 -2.269 -6.593 401 HG13 ILE 56 HG13 ILE 56 45.049 -2.485 -8.337 402 HG21 ILE 56 HG21 ILE 56 43.174 -2.055 -5.482 403 HG22 ILE 56 HG22 ILE 56 41.616 -1.656 -6.201 404 HG23 ILE 56 HG23 ILE 56 42.047 -3.341 -5.913 405 HD11 ILE 56 HD11 ILE 56 44.372 -0.215 -8.710 406 HD12 ILE 56 HD12 ILE 56 44.077 0.019 -6.987 407 HD13 ILE 56 HD13 ILE 56 45.719 -0.240 -7.573 408 H ILE 57 H ILE 57 45.003 -5.134 -8.909 409 HA ILE 57 HA ILE 57 46.459 -6.661 -8.042 410 HB ILE 57 HB ILE 57 46.059 -5.059 -5.513 411 HG12 ILE 57 HG12 ILE 57 46.694 -3.610 -7.362 412 HG13 ILE 57 HG13 ILE 57 48.059 -3.807 -6.268 413 HG21 ILE 57 HG21 ILE 57 47.600 -7.387 -6.062 414 HG22 ILE 57 HG22 ILE 57 48.698 -6.035 -5.793 415 HG23 ILE 57 HG23 ILE 57 47.500 -6.454 -4.569 416 HD11 ILE 57 HD11 ILE 57 48.272 -5.831 -8.211 417 HD12 ILE 57 HD12 ILE 57 47.905 -4.329 -9.060 418 HD13 ILE 57 HD13 ILE 57 49.301 -4.417 -7.986 419 H ASP 58 H ASP 58 44.913 -8.383 -8.257 420 HA ASP 58 HA ASP 58 43.043 -9.180 -6.380 421 HB2 ASP 58 HB2 ASP 58 44.540 -10.488 -8.556 422 HB3 ASP 58 HB3 ASP 58 43.943 -11.581 -7.309 423 H LYS 59 H LYS 59 43.072 -10.709 -4.687 424 HA LYS 59 HA LYS 59 45.727 -11.213 -3.515 425 HB2 LYS 59 HB2 LYS 59 44.807 -10.826 -1.298 426 HB3 LYS 59 HB3 LYS 59 44.573 -9.403 -2.304 427 HG2 LYS 59 HG2 LYS 59 42.344 -9.531 -2.179 428 HG3 LYS 59 HG3 LYS 59 42.335 -11.288 -2.358 429 HD2 LYS 59 HD2 LYS 59 43.472 -10.527 0.179 430 HD3 LYS 59 HD3 LYS 59 41.872 -9.812 -0.025 431 HE2 LYS 59 HE2 LYS 59 41.051 -12.095 -0.680 432 HE3 LYS 59 HE3 LYS 59 42.622 -12.724 -0.189 433 HZ1 LYS 59 HZ1 LYS 59 40.854 -11.170 1.614 434 HZ2 LYS 59 HZ2 LYS 59 42.242 -12.040 2.033 435 HZ3 LYS 59 HZ3 LYS 59 40.849 -12.860 1.536 436 H ALA 60 H ALA 60 45.956 -13.130 -2.306 437 HA ALA 60 HA ALA 60 43.748 -14.998 -2.166 438 HB1 ALA 60 HB1 ALA 60 44.458 -15.447 -4.403 439 HB2 ALA 60 HB2 ALA 60 46.148 -15.539 -3.904 440 HB3 ALA 60 HB3 ALA 60 45.004 -16.776 -3.381 441 H LYS 61 H LYS 61 44.217 -16.862 -0.868 442 HA LYS 61 HA LYS 61 46.578 -16.495 0.858 443 HB2 LYS 61 HB2 LYS 61 43.752 -17.272 1.483 444 HB3 LYS 61 HB3 LYS 61 45.058 -17.825 2.523 445 HG2 LYS 61 HG2 LYS 61 45.628 -15.643 3.158 446 HG3 LYS 61 HG3 LYS 61 44.703 -14.928 1.834 447 HD2 LYS 61 HD2 LYS 61 43.294 -14.568 3.622 448 HD3 LYS 61 HD3 LYS 61 42.680 -16.102 2.999 449 HE2 LYS 61 HE2 LYS 61 44.756 -16.715 4.810 450 HE3 LYS 61 HE3 LYS 61 43.742 -15.497 5.585 451 HZ1 LYS 61 HZ1 LYS 61 41.994 -17.279 4.437 452 HZ2 LYS 61 HZ2 LYS 61 42.362 -17.141 6.082 453 HZ3 LYS 61 HZ3 LYS 61 43.202 -18.248 5.117 454 H THR 62 H THR 62 47.095 -18.617 2.079 455 HA THR 62 HA THR 62 46.891 -20.886 0.209 456 HB THR 62 HB THR 62 49.249 -21.381 1.486 457 HG1 THR 62 HG1 THR 62 49.061 -18.568 1.054 458 HG21 THR 62 HG21 THR 62 48.962 -21.657 -0.875 459 HG22 THR 62 HG22 THR 62 50.323 -20.563 -0.631 460 HG23 THR 62 HG23 THR 62 48.752 -19.922 -1.107 461 H THR 63 H THR 63 46.716 -22.933 1.104 462 HA THR 63 HA THR 63 45.605 -23.019 3.759 463 HB THR 63 HB THR 63 44.566 -24.395 2.075 464 HG1 THR 63 HG1 THR 63 45.132 -25.225 4.381 465 HG21 THR 63 HG21 THR 63 45.744 -25.416 0.484 466 HG22 THR 63 HG22 THR 63 46.499 -26.455 1.692 467 HG23 THR 63 HG23 THR 63 47.237 -24.910 1.274 468 H LEU 64 H LEU 64 48.638 -23.806 2.245 469 HA LEU 64 HA LEU 64 49.615 -24.886 4.807 470 HB2 LEU 64 HB2 LEU 64 49.681 -26.502 2.968 471 HB3 LEU 64 HB3 LEU 64 50.661 -25.383 2.022 472 HG LEU 64 HG LEU 64 51.748 -26.166 4.657 473 HD11 LEU 64 HD11 LEU 64 51.733 -28.095 2.342 474 HD12 LEU 64 HD12 LEU 64 50.783 -28.279 3.816 475 HD13 LEU 64 HD13 LEU 64 52.544 -28.307 3.895 476 HD21 LEU 64 HD21 LEU 64 53.221 -24.856 3.489 477 HD22 LEU 64 HD22 LEU 64 52.726 -25.500 1.924 478 HD23 LEU 64 HD23 LEU 64 53.755 -26.460 2.987 Start of MODEL 4 1 H1 ALA 1 H ALA 1 0.612 -3.843 -8.422 2 HA ALA 1 HA ALA 1 -0.590 -2.193 -6.368 3 HB1 ALA 1 HB1 ALA 1 -2.559 -3.278 -6.540 4 HB2 ALA 1 HB2 ALA 1 -1.841 -4.677 -7.341 5 HB3 ALA 1 HB3 ALA 1 -1.724 -4.507 -5.589 6 H LYS 2 H LYS 2 0.467 -2.373 -4.474 7 HA LYS 2 HA LYS 2 2.017 -3.014 -2.937 8 HB2 LYS 2 HB2 LYS 2 0.546 -5.131 -3.113 9 HB3 LYS 2 HB3 LYS 2 1.878 -5.807 -4.042 10 HG2 LYS 2 HG2 LYS 2 3.342 -5.145 -2.038 11 HG3 LYS 2 HG3 LYS 2 1.818 -4.994 -1.162 12 HD2 LYS 2 HD2 LYS 2 2.231 -7.472 -2.735 13 HD3 LYS 2 HD3 LYS 2 3.204 -7.276 -1.276 14 HE2 LYS 2 HE2 LYS 2 0.200 -7.034 -1.390 15 HE3 LYS 2 HE3 LYS 2 1.072 -8.482 -0.889 16 HZ1 LYS 2 HZ1 LYS 2 0.274 -6.472 0.748 17 HZ2 LYS 2 HZ2 LYS 2 1.911 -6.120 0.508 18 HZ3 LYS 2 HZ3 LYS 2 1.452 -7.629 1.118 19 H ALA 3 H ALA 3 2.868 -2.115 -5.555 20 HA ALA 3 HA ALA 3 5.035 -3.650 -6.521 21 HB1 ALA 3 HB1 ALA 3 5.035 -0.687 -6.813 22 HB2 ALA 3 HB2 ALA 3 5.410 -1.941 -7.997 23 HB3 ALA 3 HB3 ALA 3 3.732 -1.615 -7.560 24 H CYS 4 H CYS 4 7.262 -3.405 -6.229 25 HA CYS 4 HA CYS 4 8.006 -2.413 -3.593 26 HB2 CYS 4 HB2 CYS 4 10.140 -3.588 -4.003 27 HB3 CYS 4 HB3 CYS 4 8.750 -4.651 -4.195 28 H THR 5 H THR 5 10.616 -1.756 -3.858 29 HA THR 5 HA THR 5 10.499 0.666 -5.526 30 HB THR 5 HB THR 5 12.249 0.175 -3.110 31 HG1 THR 5 HG1 THR 5 9.930 1.817 -3.298 32 HG21 THR 5 HG21 THR 5 11.633 2.902 -4.062 33 HG22 THR 5 HG22 THR 5 12.695 1.945 -5.095 34 HG23 THR 5 HG23 THR 5 13.131 2.238 -3.411 35 HA PRO 6 HA PRO 6 13.674 -1.881 -7.641 36 HB2 PRO 6 HB2 PRO 6 13.156 -0.853 -10.099 37 HB3 PRO 6 HB3 PRO 6 12.232 -2.188 -9.402 38 HG2 PRO 6 HG2 PRO 6 11.553 0.725 -9.525 39 HG3 PRO 6 HG3 PRO 6 10.512 -0.680 -9.822 40 HD2 PRO 6 HD2 PRO 6 10.483 0.687 -7.485 41 HD3 PRO 6 HD3 PRO 6 10.169 -1.058 -7.575 42 H LEU 7 H LEU 7 15.060 -0.805 -9.693 43 HA LEU 7 HA LEU 7 16.786 1.033 -8.406 44 HB2 LEU 7 HB2 LEU 7 17.288 -0.687 -10.258 45 HB3 LEU 7 HB3 LEU 7 16.740 0.568 -11.368 46 HG LEU 7 HG LEU 7 18.616 1.847 -9.772 47 HD11 LEU 7 HD11 LEU 7 20.581 0.189 -10.304 48 HD12 LEU 7 HD12 LEU 7 19.308 -1.022 -10.159 49 HD13 LEU 7 HD13 LEU 7 19.659 0.053 -8.807 50 HD21 LEU 7 HD21 LEU 7 18.312 0.960 -12.536 51 HD22 LEU 7 HD22 LEU 7 19.993 1.132 -12.031 52 HD23 LEU 7 HD23 LEU 7 18.886 2.499 -11.893 53 H LEU 8 H LEU 8 17.324 3.188 -9.058 54 HA LEU 8 HA LEU 8 16.871 5.341 -9.634 55 HB2 LEU 8 HB2 LEU 8 14.764 4.307 -11.507 56 HB3 LEU 8 HB3 LEU 8 15.691 5.802 -11.623 57 HG LEU 8 HG LEU 8 16.985 3.099 -11.875 58 HD11 LEU 8 HD11 LEU 8 16.383 4.648 -14.314 59 HD12 LEU 8 HD12 LEU 8 15.027 3.810 -13.560 60 HD13 LEU 8 HD13 LEU 8 16.456 2.905 -14.061 61 HD21 LEU 8 HD21 LEU 8 18.392 4.798 -13.409 62 HD22 LEU 8 HD22 LEU 8 18.735 4.516 -11.702 63 HD23 LEU 8 HD23 LEU 8 17.787 5.921 -12.192 64 H HIS 9 H HIS 9 15.432 3.993 -7.496 65 HA HIS 9 HA HIS 9 13.149 5.829 -7.328 66 HB2 HIS 9 HB2 HIS 9 13.131 2.861 -6.981 67 HB3 HIS 9 HB3 HIS 9 12.069 3.835 -5.969 68 HD1 HIS 9 HD1 HIS 9 10.116 5.070 -7.145 69 HD2 HIS 9 HD2 HIS 9 12.404 2.694 -9.670 70 HE1 HIS 9 HE1 HIS 9 8.783 4.867 -9.267 71 H ASP 10 H ASP 10 12.949 6.854 -5.417 72 HA ASP 10 HA ASP 10 15.031 7.014 -3.613 73 HB2 ASP 10 HB2 ASP 10 12.146 7.513 -2.872 74 HB3 ASP 10 HB3 ASP 10 13.580 8.290 -2.207 75 H CYS 11 H CYS 11 15.342 6.259 -1.482 76 HA CYS 11 HA CYS 11 13.718 3.969 -0.647 77 HB2 CYS 11 HB2 CYS 11 15.614 2.560 -0.275 78 HB3 CYS 11 HB3 CYS 11 15.738 3.166 -1.923 79 H SER 12 H SER 12 14.568 6.884 0.139 80 HA SER 12 HA SER 12 15.886 6.786 2.602 81 HB2 SER 12 HB2 SER 12 15.619 8.907 1.530 82 HB3 SER 12 HB3 SER 12 13.863 8.743 1.499 83 HG SER 12 HG SER 12 13.778 9.467 3.470 84 H HIS 13 H HIS 13 12.601 6.067 1.739 85 HA HIS 13 HA HIS 13 11.435 6.281 4.305 86 HB2 HIS 13 HB2 HIS 13 10.677 4.816 1.792 87 HB3 HIS 13 HB3 HIS 13 9.741 4.618 3.270 88 HD1 HIS 13 HD1 HIS 13 10.773 7.301 0.813 89 HD2 HIS 13 HD2 HIS 13 7.942 6.620 3.777 90 HE1 HIS 13 HE1 HIS 13 9.169 9.233 0.669 91 H ASP 14 H ASP 14 13.113 3.681 2.638 92 HA ASP 14 HA ASP 14 13.704 2.362 5.101 93 HB2 ASP 14 HB2 ASP 14 11.514 1.447 4.962 94 HB3 ASP 14 HB3 ASP 14 11.674 1.141 3.234 95 H ARG 15 H ARG 15 15.736 1.762 4.813 96 HA ARG 15 HA ARG 15 16.957 1.539 2.273 97 HB2 ARG 15 HB2 ARG 15 17.981 0.506 4.923 98 HB3 ARG 15 HB3 ARG 15 18.940 0.825 3.484 99 HG2 ARG 15 HG2 ARG 15 18.624 3.163 3.681 100 HG3 ARG 15 HG3 ARG 15 17.381 2.956 4.918 101 HD2 ARG 15 HD2 ARG 15 20.096 1.847 5.425 102 HD3 ARG 15 HD3 ARG 15 19.863 3.590 5.549 103 HE ARG 15 HE ARG 15 17.930 2.034 7.010 104 HH11 ARG 15 HH11 ARG 15 21.053 3.569 7.100 105 HH12 ARG 15 HH12 ARG 15 21.077 3.715 8.826 106 HH21 ARG 15 HH21 ARG 15 17.949 2.221 9.283 107 HH22 ARG 15 HH22 ARG 15 19.311 2.947 10.067 108 H HIS 16 H HIS 16 15.046 -0.620 4.022 109 HA HIS 16 HA HIS 16 16.139 -2.927 2.553 110 HB2 HIS 16 HB2 HIS 16 14.820 -2.657 5.218 111 HB3 HIS 16 HB3 HIS 16 14.589 -4.155 4.319 112 HD1 HIS 16 HD1 HIS 16 17.519 -1.986 5.428 113 HD2 HIS 16 HD2 HIS 16 16.521 -5.972 4.817 114 HE1 HIS 16 HE1 HIS 16 19.536 -3.302 6.152 115 H SER 17 H SER 17 14.135 -0.770 1.759 116 HA SER 17 HA SER 17 11.744 -2.390 1.311 117 HB2 SER 17 HB2 SER 17 12.325 0.467 1.473 118 HB3 SER 17 HB3 SER 17 11.313 0.059 0.088 119 HG SER 17 HG SER 17 9.741 -0.071 1.461 120 H CYS 18 H CYS 18 14.525 -1.166 -0.341 121 HA CYS 18 HA CYS 18 13.707 -1.130 -2.982 122 HB2 CYS 18 HB2 CYS 18 16.340 -1.882 -1.721 123 HB3 CYS 18 HB3 CYS 18 16.124 -1.846 -3.468 124 H CYS 19 H CYS 19 13.639 -2.643 -4.644 125 HA CYS 19 HA CYS 19 12.611 -5.165 -4.024 126 HB2 CYS 19 HB2 CYS 19 13.902 -4.265 -6.609 127 HB3 CYS 19 HB3 CYS 19 12.843 -5.659 -6.419 128 H ARG 20 H ARG 20 13.775 -7.091 -5.482 129 HA ARG 20 HA ARG 20 16.522 -7.313 -4.448 130 HB2 ARG 20 HB2 ARG 20 16.164 -9.503 -3.665 131 HB3 ARG 20 HB3 ARG 20 14.762 -8.595 -3.112 132 HG2 ARG 20 HG2 ARG 20 13.600 -9.455 -5.220 133 HG3 ARG 20 HG3 ARG 20 14.938 -10.601 -5.330 134 HD2 ARG 20 HD2 ARG 20 13.285 -11.760 -4.156 135 HD3 ARG 20 HD3 ARG 20 14.387 -11.191 -2.903 136 HE ARG 20 HE ARG 20 12.456 -9.248 -3.127 137 HH11 ARG 20 HH11 ARG 20 12.533 -12.650 -2.395 138 HH12 ARG 20 HH12 ARG 20 11.137 -12.594 -1.370 139 HH21 ARG 20 HH21 ARG 20 10.618 -9.160 -1.780 140 HH22 ARG 20 HH22 ARG 20 10.048 -10.609 -1.021 141 H GLY 21 H GLY 21 14.152 -8.262 -6.865 142 HA2 GLY 21 HA2 GLY 21 14.403 -8.960 -9.037 143 HA3 GLY 21 HA3 GLY 21 16.034 -8.313 -8.959 144 H ASP 22 H ASP 22 15.456 -10.580 -10.427 145 HA ASP 22 HA ASP 22 16.097 -12.928 -8.880 146 HB2 ASP 22 HB2 ASP 22 14.616 -13.016 -10.875 147 HB3 ASP 22 HB3 ASP 22 15.995 -12.587 -11.883 148 H MET 23 H MET 23 17.863 -10.411 -10.244 149 HA MET 23 HA MET 23 20.240 -12.004 -10.770 150 HB2 MET 23 HB2 MET 23 19.910 -10.269 -12.347 151 HB3 MET 23 HB3 MET 23 19.585 -9.082 -11.090 152 HG2 MET 23 HG2 MET 23 21.768 -8.686 -10.706 153 HG3 MET 23 HG3 MET 23 22.236 -10.359 -11.001 154 HE1 MET 23 HE1 MET 23 21.175 -7.230 -14.082 155 HE2 MET 23 HE2 MET 23 20.914 -7.207 -12.337 156 HE3 MET 23 HE3 MET 23 22.471 -6.712 -13.003 157 H PHE 24 H PHE 24 19.940 -8.904 -9.062 158 HA PHE 24 HA PHE 24 21.070 -10.051 -6.646 159 HB2 PHE 24 HB2 PHE 24 22.552 -8.166 -8.443 160 HB3 PHE 24 HB3 PHE 24 22.803 -8.083 -6.702 161 HD1 PHE 24 HD2 PHE 24 23.480 -10.244 -5.510 162 HD2 PHE 24 HD1 PHE 24 23.715 -9.709 -9.726 163 HE1 PHE 24 HE2 PHE 24 25.095 -12.096 -5.652 164 HE2 PHE 24 HE1 PHE 24 25.329 -11.560 -9.875 165 HZ PHE 24 HZ PHE 24 26.021 -12.757 -7.837 166 H LYS 25 H LYS 25 20.765 -8.778 -4.808 167 HA LYS 25 HA LYS 25 18.496 -7.138 -4.786 168 HB2 LYS 25 HB2 LYS 25 18.975 -6.735 -2.479 169 HB3 LYS 25 HB3 LYS 25 19.449 -8.392 -2.830 170 HG2 LYS 25 HG2 LYS 25 21.476 -6.206 -2.978 171 HG3 LYS 25 HG3 LYS 25 21.000 -6.869 -1.412 172 HD2 LYS 25 HD2 LYS 25 22.569 -8.422 -1.785 173 HD3 LYS 25 HD3 LYS 25 21.417 -9.125 -2.924 174 HE2 LYS 25 HE2 LYS 25 22.706 -8.611 -4.668 175 HE3 LYS 25 HE3 LYS 25 22.902 -6.947 -4.118 176 HZ1 LYS 25 HZ1 LYS 25 24.704 -7.604 -2.720 177 HZ2 LYS 25 HZ2 LYS 25 25.006 -8.210 -4.270 178 HZ3 LYS 25 HZ3 LYS 25 24.452 -9.243 -3.052 179 H TYR 26 H TYR 26 18.289 -4.882 -4.311 180 HA TYR 26 HA TYR 26 20.302 -3.291 -5.686 181 HB2 TYR 26 HB2 TYR 26 17.551 -2.579 -4.652 182 HB3 TYR 26 HB3 TYR 26 18.608 -1.473 -5.523 183 HD1 TYR 26 HD2 TYR 26 19.170 -1.937 -7.911 184 HD2 TYR 26 HD1 TYR 26 16.248 -4.200 -5.803 185 HE1 TYR 26 HE2 TYR 26 18.264 -2.747 -10.049 186 HE2 TYR 26 HE1 TYR 26 15.335 -5.018 -7.935 187 HH TYR 26 HH TYR 26 16.958 -4.653 -10.890 188 H VAL 27 H VAL 27 21.394 -1.560 -4.787 189 HA VAL 27 HA VAL 27 21.384 -1.471 -1.841 190 HB VAL 27 HB VAL 27 23.711 -0.475 -2.137 191 HG11 VAL 27 HG11 VAL 27 24.424 -2.503 -1.565 192 HG12 VAL 27 HG12 VAL 27 22.815 -3.109 -1.965 193 HG13 VAL 27 HG13 VAL 27 24.098 -3.137 -3.178 194 HG21 VAL 27 HG21 VAL 27 23.426 -1.675 -4.889 195 HG22 VAL 27 HG22 VAL 27 23.457 0.053 -4.537 196 HG23 VAL 27 HG23 VAL 27 24.876 -0.941 -4.204 197 H CYS 28 H CYS 28 21.169 0.448 -0.798 198 HA CYS 28 HA CYS 28 20.019 2.628 -2.219 199 HB2 CYS 28 HB2 CYS 28 20.740 2.075 0.626 200 HB3 CYS 28 HB3 CYS 28 20.431 3.742 0.152 201 H ASP 29 H ASP 29 20.896 4.480 -2.945 202 HA ASP 29 HA ASP 29 23.703 5.048 -2.272 203 HB2 ASP 29 HB2 ASP 29 22.766 4.196 -4.783 204 HB3 ASP 29 HB3 ASP 29 23.069 5.923 -4.947 205 H CYS 30 H CYS 30 23.894 6.987 -1.388 206 HA CYS 30 HA CYS 30 21.811 8.990 -1.887 207 HB2 CYS 30 HB2 CYS 30 23.935 8.900 0.266 208 HB3 CYS 30 HB3 CYS 30 22.654 10.101 0.135 209 H PHE 31 H PHE 31 22.219 10.884 -2.876 210 HA PHE 31 HA PHE 31 24.975 11.750 -3.278 211 HB2 PHE 31 HB2 PHE 31 24.343 12.189 -5.750 212 HB3 PHE 31 HB3 PHE 31 24.779 10.550 -5.277 213 HD1 PHE 31 HD2 PHE 31 23.017 8.838 -4.996 214 HD2 PHE 31 HD1 PHE 31 22.172 12.715 -6.536 215 HE1 PHE 31 HE2 PHE 31 20.879 8.014 -5.888 216 HE2 PHE 31 HE1 PHE 31 20.030 11.897 -7.429 217 HZ PHE 31 HZ PHE 31 19.382 9.543 -7.108 218 H TYR 32 H TYR 32 24.990 13.935 -4.442 219 HA TYR 32 HA TYR 32 22.771 15.550 -3.377 220 HB2 TYR 32 HB2 TYR 32 25.503 16.620 -4.050 221 HB3 TYR 32 HB3 TYR 32 24.279 17.322 -2.997 222 HD1 TYR 32 HD2 TYR 32 26.845 14.694 -3.281 223 HD2 TYR 32 HD1 TYR 32 24.102 16.670 -0.700 224 HE1 TYR 32 HE2 TYR 32 27.929 13.646 -1.338 225 HE2 TYR 32 HE1 TYR 32 25.177 15.628 1.251 226 HH TYR 32 HH TYR 32 27.755 14.642 1.623 227 HA PRO 33 HA PRO 33 22.373 15.890 -7.954 228 HB2 PRO 33 HB2 PRO 33 19.660 15.986 -7.921 229 HB3 PRO 33 HB3 PRO 33 20.567 14.470 -7.917 230 HG2 PRO 33 HG2 PRO 33 19.301 15.925 -5.628 231 HG3 PRO 33 HG3 PRO 33 19.301 14.188 -5.988 232 HD2 PRO 33 HD2 PRO 33 20.957 15.297 -4.154 233 HD3 PRO 33 HD3 PRO 33 21.415 13.881 -5.123 234 H GLU 34 H GLU 34 23.355 18.048 -7.022 235 HA GLU 34 HA GLU 34 23.299 20.323 -6.879 236 HB2 GLU 34 HB2 GLU 34 22.438 19.669 -9.296 237 HB3 GLU 34 HB3 GLU 34 20.945 20.386 -8.711 238 HG2 GLU 34 HG2 GLU 34 21.844 22.259 -9.557 239 HG3 GLU 34 HG3 GLU 34 22.665 22.310 -7.998 240 H GLY 35 H GLY 35 21.637 18.844 -4.981 241 HA2 GLY 35 HA2 GLY 35 19.201 20.341 -4.635 242 HA3 GLY 35 HA3 GLY 35 19.863 19.151 -3.524 243 H GLU 36 H GLU 36 19.919 22.514 -4.500 244 HA GLU 36 HA GLU 36 21.749 23.319 -2.439 245 HB2 GLU 36 HB2 GLU 36 21.167 25.612 -3.131 246 HB3 GLU 36 HB3 GLU 36 21.616 24.601 -4.498 247 HG2 GLU 36 HG2 GLU 36 18.989 24.219 -4.577 248 HG3 GLU 36 HG3 GLU 36 19.004 25.800 -3.798 249 H ASP 37 H ASP 37 18.245 23.422 -2.907 250 HA ASP 37 HA ASP 37 17.917 24.435 -0.174 251 HB2 ASP 37 HB2 ASP 37 16.166 24.385 -2.602 252 HB3 ASP 37 HB3 ASP 37 15.424 24.489 -1.007 253 H LYS 38 H LYS 38 17.920 21.553 -1.890 254 HA LYS 38 HA LYS 38 16.045 20.236 -0.064 255 HB2 LYS 38 HB2 LYS 38 17.436 19.092 -2.491 256 HB3 LYS 38 HB3 LYS 38 16.131 18.344 -1.580 257 HG2 LYS 38 HG2 LYS 38 15.502 21.010 -2.611 258 HG3 LYS 38 HG3 LYS 38 15.819 19.798 -3.854 259 HD2 LYS 38 HD2 LYS 38 14.179 18.303 -2.709 260 HD3 LYS 38 HD3 LYS 38 13.786 19.645 -1.632 261 HE2 LYS 38 HE2 LYS 38 12.155 19.871 -3.237 262 HE3 LYS 38 HE3 LYS 38 13.405 20.942 -3.869 263 HZ1 LYS 38 HZ1 LYS 38 13.460 19.740 -5.709 264 HZ2 LYS 38 HZ2 LYS 38 12.249 18.723 -5.109 265 HZ3 LYS 38 HZ3 LYS 38 13.876 18.353 -4.833 266 H THR 39 H THR 39 17.056 17.680 -0.054 267 HA THR 39 HA THR 39 19.655 17.989 1.300 268 HB THR 39 HB THR 39 17.731 17.599 2.874 269 HG1 THR 39 HG1 THR 39 18.883 15.802 3.935 270 HG21 THR 39 HG21 THR 39 17.607 14.744 2.397 271 HG22 THR 39 HG22 THR 39 17.014 15.659 1.010 272 HG23 THR 39 HG23 THR 39 16.298 15.907 2.603 273 H GLU 40 H GLU 40 20.516 15.573 1.725 274 HA GLU 40 HA GLU 40 21.357 14.600 -0.744 275 HB2 GLU 40 HB2 GLU 40 21.213 12.951 1.778 276 HB3 GLU 40 HB3 GLU 40 22.347 12.780 0.446 277 HG2 GLU 40 HG2 GLU 40 23.092 15.166 1.063 278 HG3 GLU 40 HG3 GLU 40 22.263 14.861 2.589 279 H VAL 41 H VAL 41 20.432 13.361 -2.233 280 HA VAL 41 HA VAL 41 17.863 12.111 -1.628 281 HB VAL 41 HB VAL 41 19.219 12.391 -4.311 282 HG11 VAL 41 HG11 VAL 41 17.043 11.917 -5.241 283 HG12 VAL 41 HG12 VAL 41 17.497 10.622 -4.130 284 HG13 VAL 41 HG13 VAL 41 16.332 11.848 -3.629 285 HG21 VAL 41 HG21 VAL 41 18.866 14.599 -3.563 286 HG22 VAL 41 HG22 VAL 41 17.502 14.236 -4.621 287 HG23 VAL 41 HG23 VAL 41 17.295 14.198 -2.870 288 H CYS 42 H CYS 42 17.738 10.024 -1.166 289 HA CYS 42 HA CYS 42 19.931 8.255 -2.018 290 HB2 CYS 42 HB2 CYS 42 17.936 7.840 0.219 291 HB3 CYS 42 HB3 CYS 42 19.305 6.800 -0.163 292 H SER 43 H SER 43 19.501 6.925 -3.637 293 HA SER 43 HA SER 43 16.754 5.909 -3.941 294 HB2 SER 43 HB2 SER 43 16.727 6.307 -6.232 295 HB3 SER 43 HB3 SER 43 17.591 7.725 -5.636 296 HG SER 43 HG SER 43 19.533 6.279 -6.021 297 H CYS 44 H CYS 44 16.716 3.945 -5.432 298 HA CYS 44 HA CYS 44 18.617 2.037 -4.403 299 HB2 CYS 44 HB2 CYS 44 16.334 1.671 -6.356 300 HB3 CYS 44 HB3 CYS 44 17.250 0.373 -5.598 301 H GLN 45 H GLN 45 20.472 1.521 -5.337 302 HA GLN 45 HA GLN 45 20.708 1.781 -8.258 303 HB2 GLN 45 HB2 GLN 45 22.681 2.656 -6.151 304 HB3 GLN 45 HB3 GLN 45 23.120 2.442 -7.840 305 HG2 GLN 45 HG2 GLN 45 20.770 4.135 -7.368 306 HG3 GLN 45 HG3 GLN 45 22.296 4.771 -6.753 307 HE21 GLN 45 HE21 GLN 45 20.565 5.648 -8.978 308 HE22 GLN 45 HE22 GLN 45 21.587 5.687 -10.368 309 H GLN 46 H GLN 46 22.312 0.402 -9.241 310 HA GLN 46 HA GLN 46 22.612 -2.111 -7.763 311 HB2 GLN 46 HB2 GLN 46 22.171 -1.399 -10.569 312 HB3 GLN 46 HB3 GLN 46 23.408 -2.629 -10.345 313 HG2 GLN 46 HG2 GLN 46 21.836 -3.999 -9.091 314 HG3 GLN 46 HG3 GLN 46 20.595 -2.762 -9.282 315 HE21 GLN 46 HE21 GLN 46 20.178 -2.139 -11.611 316 HE22 GLN 46 HE22 GLN 46 20.091 -3.434 -12.750 317 HA PRO 47 HA PRO 47 26.976 -1.853 -7.420 318 HB2 PRO 47 HB2 PRO 47 27.759 -4.400 -7.946 319 HB3 PRO 47 HB3 PRO 47 26.930 -3.937 -6.454 320 HG2 PRO 47 HG2 PRO 47 25.815 -5.204 -8.927 321 HG3 PRO 47 HG3 PRO 47 25.484 -5.587 -7.227 322 HD2 PRO 47 HD2 PRO 47 23.805 -4.091 -8.737 323 HD3 PRO 47 HD3 PRO 47 24.001 -3.838 -6.990 324 H LYS 48 H LYS 48 29.067 -2.777 -8.618 325 HA LYS 48 HA LYS 48 29.181 -1.495 -11.114 326 HB2 LYS 48 HB2 LYS 48 31.422 -2.587 -11.315 327 HB3 LYS 48 HB3 LYS 48 31.179 -1.719 -9.805 328 HG2 LYS 48 HG2 LYS 48 31.764 -3.543 -8.702 329 HG3 LYS 48 HG3 LYS 48 30.340 -4.363 -9.347 330 HD2 LYS 48 HD2 LYS 48 31.705 -4.897 -11.391 331 HD3 LYS 48 HD3 LYS 48 33.115 -4.284 -10.524 332 HE2 LYS 48 HE2 LYS 48 33.175 -6.594 -10.168 333 HE3 LYS 48 HE3 LYS 48 32.476 -5.944 -8.686 334 HZ1 LYS 48 HZ1 LYS 48 30.261 -6.463 -9.619 335 HZ2 LYS 48 HZ2 LYS 48 31.215 -7.836 -9.363 336 HZ3 LYS 48 HZ3 LYS 48 31.014 -7.226 -10.928 337 H SER 49 H SER 49 28.781 -2.158 -13.130 338 HA SER 49 HA SER 49 28.628 -5.027 -13.697 339 HB2 SER 49 HB2 SER 49 26.509 -4.694 -14.948 340 HB3 SER 49 HB3 SER 49 26.329 -4.373 -13.224 341 HG SER 49 HG SER 49 26.370 -2.572 -15.379 342 H HIS 50 H HIS 50 30.776 -3.740 -14.456 343 HA HIS 50 HA HIS 50 30.482 -3.560 -17.348 344 HB2 HIS 50 HB2 HIS 50 31.970 -1.496 -17.350 345 HB3 HIS 50 HB3 HIS 50 30.303 -1.251 -16.837 346 HD1 HIS 50 HD1 HIS 50 29.922 -0.904 -14.241 347 HD2 HIS 50 HD2 HIS 50 33.887 -0.863 -15.479 348 HE1 HIS 50 HE1 HIS 50 31.211 0.100 -12.331 349 H LYS 51 H LYS 51 31.518 -5.712 -16.333 350 HA LYS 51 HA LYS 51 34.310 -5.568 -17.068 351 HB2 LYS 51 HB2 LYS 51 34.168 -5.095 -14.567 352 HB3 LYS 51 HB3 LYS 51 33.617 -6.756 -14.384 353 HG2 LYS 51 HG2 LYS 51 35.724 -7.413 -14.300 354 HG3 LYS 51 HG3 LYS 51 35.945 -6.854 -15.960 355 HD2 LYS 51 HD2 LYS 51 36.262 -5.147 -13.491 356 HD3 LYS 51 HD3 LYS 51 37.587 -5.872 -14.405 357 HE2 LYS 51 HE2 LYS 51 36.089 -4.550 -16.322 358 HE3 LYS 51 HE3 LYS 51 36.056 -3.463 -14.935 359 HZ1 LYS 51 HZ1 LYS 51 37.944 -3.051 -16.422 360 HZ2 LYS 51 HZ2 LYS 51 38.520 -4.614 -16.127 361 HZ3 LYS 51 HZ3 LYS 51 38.447 -3.488 -14.866 362 H ILE 52 H ILE 52 32.015 -6.782 -18.228 363 HA ILE 52 HA ILE 52 33.023 -9.340 -18.803 364 HB ILE 52 HB ILE 52 32.213 -9.931 -16.574 365 HG12 ILE 52 HG12 ILE 52 30.144 -11.264 -18.187 366 HG13 ILE 52 HG13 ILE 52 31.752 -11.297 -18.901 367 HG21 ILE 52 HG21 ILE 52 29.370 -9.613 -17.298 368 HG22 ILE 52 HG22 ILE 52 30.175 -9.419 -15.743 369 HG23 ILE 52 HG23 ILE 52 30.256 -8.130 -16.943 370 HD11 ILE 52 HD11 ILE 52 32.126 -13.080 -17.640 371 HD12 ILE 52 HD12 ILE 52 32.188 -11.980 -16.263 372 HD13 ILE 52 HD13 ILE 52 30.679 -12.794 -16.674 373 H ALA 53 H ALA 53 30.238 -7.202 -18.693 374 HA ALA 53 HA ALA 53 29.061 -8.461 -21.045 375 HB1 ALA 53 HB1 ALA 53 27.109 -7.442 -20.499 376 HB2 ALA 53 HB2 ALA 53 27.864 -7.419 -18.904 377 HB3 ALA 53 HB3 ALA 53 27.904 -5.978 -19.921 378 H GLU 54 H GLU 54 30.236 -7.963 -22.826 379 HA GLU 54 HA GLU 54 30.128 -5.237 -23.766 380 HB2 GLU 54 HB2 GLU 54 32.444 -6.063 -22.431 381 HB3 GLU 54 HB3 GLU 54 32.846 -6.162 -24.139 382 HG2 GLU 54 HG2 GLU 54 31.590 -3.743 -23.985 383 HG3 GLU 54 HG3 GLU 54 32.433 -3.830 -22.440 384 H LYS 55 H LYS 55 29.162 -7.943 -24.487 385 HA LYS 55 HA LYS 55 30.379 -8.159 -27.163 386 HB2 LYS 55 HB2 LYS 55 29.499 -10.507 -27.154 387 HB3 LYS 55 HB3 LYS 55 30.761 -10.196 -25.969 388 HG2 LYS 55 HG2 LYS 55 29.066 -9.988 -24.218 389 HG3 LYS 55 HG3 LYS 55 27.803 -10.310 -25.410 390 HD2 LYS 55 HD2 LYS 55 28.761 -12.515 -25.839 391 HD3 LYS 55 HD3 LYS 55 30.048 -12.191 -24.673 392 HE2 LYS 55 HE2 LYS 55 28.751 -12.892 -23.013 393 HE3 LYS 55 HE3 LYS 55 27.528 -11.694 -23.432 394 HZ1 LYS 55 HZ1 LYS 55 27.359 -14.452 -23.691 395 HZ2 LYS 55 HZ2 LYS 55 27.425 -13.833 -25.264 396 HZ3 LYS 55 HZ3 LYS 55 26.229 -13.299 -24.194 397 H ILE 56 H ILE 56 28.718 -9.284 -28.722 398 HA ILE 56 HA ILE 56 26.825 -9.056 -29.964 399 HB ILE 56 HB ILE 56 25.507 -8.524 -27.298 400 HG12 ILE 56 HG12 ILE 56 25.630 -11.122 -28.835 401 HG13 ILE 56 HG13 ILE 56 26.772 -10.710 -27.559 402 HG21 ILE 56 HG21 ILE 56 23.663 -9.731 -28.933 403 HG22 ILE 56 HG22 ILE 56 23.744 -8.009 -28.567 404 HG23 ILE 56 HG23 ILE 56 24.501 -8.635 -30.031 405 HD11 ILE 56 HD11 ILE 56 24.089 -11.746 -27.372 406 HD12 ILE 56 HD12 ILE 56 25.352 -11.648 -26.145 407 HD13 ILE 56 HD13 ILE 56 24.283 -10.272 -26.424 408 H ILE 57 H ILE 57 27.808 -7.116 -30.859 409 HA ILE 57 HA ILE 57 26.217 -4.729 -30.214 410 HB ILE 57 HB ILE 57 29.171 -4.723 -30.846 411 HG12 ILE 57 HG12 ILE 57 28.439 -3.449 -28.372 412 HG13 ILE 57 HG13 ILE 57 27.824 -5.098 -28.392 413 HG21 ILE 57 HG21 ILE 57 28.384 -2.761 -31.789 414 HG22 ILE 57 HG22 ILE 57 27.133 -2.553 -30.565 415 HG23 ILE 57 HG23 ILE 57 28.822 -2.246 -30.161 416 HD11 ILE 57 HD11 ILE 57 30.062 -4.894 -27.386 417 HD12 ILE 57 HD12 ILE 57 30.029 -5.963 -28.788 418 HD13 ILE 57 HD13 ILE 57 30.680 -4.331 -28.939 419 H ASP 58 H ASP 58 25.065 -4.164 -31.925 420 HA ASP 58 HA ASP 58 26.275 -3.942 -34.528 421 HB2 ASP 58 HB2 ASP 58 24.496 -6.198 -33.849 422 HB3 ASP 58 HB3 ASP 58 24.098 -5.349 -35.340 423 H LYS 59 H LYS 59 25.726 -1.808 -34.576 424 HA LYS 59 HA LYS 59 22.987 -1.187 -35.201 425 HB2 LYS 59 HB2 LYS 59 23.923 -0.816 -32.526 426 HB3 LYS 59 HB3 LYS 59 23.668 0.766 -33.250 427 HG2 LYS 59 HG2 LYS 59 21.452 0.562 -33.169 428 HG3 LYS 59 HG3 LYS 59 21.492 -1.088 -33.792 429 HD2 LYS 59 HD2 LYS 59 20.558 -1.135 -31.583 430 HD3 LYS 59 HD3 LYS 59 22.166 -1.858 -31.521 431 HE2 LYS 59 HE2 LYS 59 22.699 -0.426 -29.909 432 HE3 LYS 59 HE3 LYS 59 22.522 0.890 -31.068 433 HZ1 LYS 59 HZ1 LYS 59 21.160 1.163 -29.046 434 HZ2 LYS 59 HZ2 LYS 59 20.292 -0.229 -29.460 435 HZ3 LYS 59 HZ3 LYS 59 20.235 1.132 -30.462 436 H ALA 60 H ALA 60 23.061 0.183 -36.847 437 HA ALA 60 HA ALA 60 24.517 2.584 -36.875 438 HB1 ALA 60 HB1 ALA 60 26.541 1.534 -37.216 439 HB2 ALA 60 HB2 ALA 60 25.829 0.243 -38.185 440 HB3 ALA 60 HB3 ALA 60 26.022 1.857 -38.871 441 H LYS 61 H LYS 61 21.993 2.394 -37.373 442 HA LYS 61 HA LYS 61 21.660 2.318 -40.298 443 HB2 LYS 61 HB2 LYS 61 20.251 0.790 -38.807 444 HB3 LYS 61 HB3 LYS 61 19.429 2.250 -38.272 445 HG2 LYS 61 HG2 LYS 61 18.075 1.389 -39.966 446 HG3 LYS 61 HG3 LYS 61 18.971 2.699 -40.737 447 HD2 LYS 61 HD2 LYS 61 20.106 1.296 -42.095 448 HD3 LYS 61 HD3 LYS 61 20.248 0.047 -40.856 449 HE2 LYS 61 HE2 LYS 61 18.863 -0.707 -42.721 450 HE3 LYS 61 HE3 LYS 61 17.927 -0.600 -41.232 451 HZ1 LYS 61 HZ1 LYS 61 17.970 1.676 -43.095 452 HZ2 LYS 61 HZ2 LYS 61 16.780 1.232 -41.979 453 HZ3 LYS 61 HZ3 LYS 61 16.964 0.354 -43.414 454 H THR 62 H THR 62 22.408 4.426 -40.667 455 HA THR 62 HA THR 62 20.635 6.553 -39.653 456 HB THR 62 HB THR 62 23.518 6.891 -40.497 457 HG1 THR 62 HG1 THR 62 22.421 6.898 -37.865 458 HG21 THR 62 HG21 THR 62 23.249 9.103 -40.221 459 HG22 THR 62 HG22 THR 62 22.272 8.894 -38.769 460 HG23 THR 62 HG23 THR 62 21.524 8.769 -40.360 461 H THR 63 H THR 63 19.262 7.084 -41.222 462 HA THR 63 HA THR 63 20.342 7.482 -43.935 463 HB THR 63 HB THR 63 18.961 5.511 -44.022 464 HG1 THR 63 HG1 THR 63 17.294 7.583 -45.002 465 HG21 THR 63 HG21 THR 63 17.304 7.022 -42.172 466 HG22 THR 63 HG22 THR 63 17.372 5.284 -42.463 467 HG23 THR 63 HG23 THR 63 16.366 6.310 -43.484 468 H LEU 64 H LEU 64 19.523 9.219 -45.119 469 HA LEU 64 HA LEU 64 18.351 11.329 -43.480 470 HB2 LEU 64 HB2 LEU 64 20.262 12.040 -44.653 471 HB3 LEU 64 HB3 LEU 64 19.721 11.285 -46.151 472 HG LEU 64 HG LEU 64 17.974 12.983 -46.378 473 HD11 LEU 64 HD11 LEU 64 18.396 15.037 -44.792 474 HD12 LEU 64 HD12 LEU 64 18.982 13.786 -43.696 475 HD13 LEU 64 HD13 LEU 64 17.330 13.717 -44.311 476 HD21 LEU 64 HD21 LEU 64 20.828 13.481 -46.427 477 HD22 LEU 64 HD22 LEU 64 19.903 14.964 -46.183 478 HD23 LEU 64 HD23 LEU 64 19.580 13.943 -47.586 Start of MODEL 5 1 H1 ALA 1 H ALA 1 8.161 -6.954 -4.820 2 HA ALA 1 HA ALA 1 5.392 -7.624 -5.103 3 HB1 ALA 1 HB1 ALA 1 4.695 -6.409 -3.345 4 HB2 ALA 1 HB2 ALA 1 6.181 -5.461 -3.277 5 HB3 ALA 1 HB3 ALA 1 4.923 -5.045 -4.441 6 H LYS 2 H LYS 2 4.277 -5.762 -6.435 7 HA LYS 2 HA LYS 2 6.040 -5.270 -8.695 8 HB2 LYS 2 HB2 LYS 2 3.088 -5.279 -8.261 9 HB3 LYS 2 HB3 LYS 2 3.729 -4.331 -9.596 10 HG2 LYS 2 HG2 LYS 2 3.276 -6.348 -10.604 11 HG3 LYS 2 HG3 LYS 2 4.988 -6.515 -10.207 12 HD2 LYS 2 HD2 LYS 2 4.001 -8.544 -9.541 13 HD3 LYS 2 HD3 LYS 2 4.212 -7.625 -8.049 14 HE2 LYS 2 HE2 LYS 2 1.949 -7.195 -7.843 15 HE3 LYS 2 HE3 LYS 2 1.643 -7.433 -9.562 16 HZ1 LYS 2 HZ1 LYS 2 2.175 -9.833 -9.176 17 HZ2 LYS 2 HZ2 LYS 2 0.753 -9.290 -8.436 18 HZ3 LYS 2 HZ3 LYS 2 2.155 -9.514 -7.515 19 H ALA 3 H ALA 3 4.185 -3.479 -6.303 20 HA ALA 3 HA ALA 3 4.907 -0.923 -7.479 21 HB1 ALA 3 HB1 ALA 3 3.562 -1.235 -4.823 22 HB2 ALA 3 HB2 ALA 3 3.402 0.058 -6.013 23 HB3 ALA 3 HB3 ALA 3 2.673 -1.518 -6.321 24 H CYS 4 H CYS 4 6.854 -2.906 -6.191 25 HA CYS 4 HA CYS 4 7.854 -1.807 -3.808 26 HB2 CYS 4 HB2 CYS 4 9.917 -3.049 -4.322 27 HB3 CYS 4 HB3 CYS 4 8.483 -4.038 -4.578 28 H THR 5 H THR 5 10.487 -1.249 -4.113 29 HA THR 5 HA THR 5 10.429 1.275 -5.628 30 HB THR 5 HB THR 5 12.215 0.564 -3.293 31 HG1 THR 5 HG1 THR 5 9.741 1.937 -3.464 32 HG21 THR 5 HG21 THR 5 12.638 2.458 -5.204 33 HG22 THR 5 HG22 THR 5 13.225 2.562 -3.545 34 HG23 THR 5 HG23 THR 5 11.728 3.373 -4.004 35 HA PRO 6 HA PRO 6 13.441 -1.285 -7.966 36 HB2 PRO 6 HB2 PRO 6 12.879 -0.129 -10.357 37 HB3 PRO 6 HB3 PRO 6 11.933 -1.466 -9.690 38 HG2 PRO 6 HG2 PRO 6 11.347 1.469 -9.660 39 HG3 PRO 6 HG3 PRO 6 10.252 0.113 -9.985 40 HD2 PRO 6 HD2 PRO 6 10.342 1.371 -7.588 41 HD3 PRO 6 HD3 PRO 6 9.968 -0.357 -7.746 42 H LEU 7 H LEU 7 14.829 -0.191 -9.982 43 HA LEU 7 HA LEU 7 16.624 1.563 -8.673 44 HB2 LEU 7 HB2 LEU 7 17.106 -0.115 -10.530 45 HB3 LEU 7 HB3 LEU 7 16.497 1.111 -11.641 46 HG LEU 7 HG LEU 7 18.386 2.486 -10.188 47 HD11 LEU 7 HD11 LEU 7 20.405 1.013 -10.368 48 HD12 LEU 7 HD12 LEU 7 19.309 -0.349 -10.601 49 HD13 LEU 7 HD13 LEU 7 19.267 0.568 -9.096 50 HD21 LEU 7 HD21 LEU 7 18.032 1.437 -12.870 51 HD22 LEU 7 HD22 LEU 7 19.733 1.560 -12.419 52 HD23 LEU 7 HD23 LEU 7 18.693 2.983 -12.338 53 H LEU 8 H LEU 8 17.231 3.713 -9.310 54 HA LEU 8 HA LEU 8 16.828 5.894 -9.814 55 HB2 LEU 8 HB2 LEU 8 14.691 4.945 -11.701 56 HB3 LEU 8 HB3 LEU 8 15.628 6.437 -11.779 57 HG LEU 8 HG LEU 8 16.842 3.706 -12.156 58 HD11 LEU 8 HD11 LEU 8 15.117 5.161 -13.920 59 HD12 LEU 8 HD12 LEU 8 15.895 3.597 -14.156 60 HD13 LEU 8 HD13 LEU 8 16.743 5.079 -14.600 61 HD21 LEU 8 HD21 LEU 8 18.469 5.344 -11.565 62 HD22 LEU 8 HD22 LEU 8 17.781 6.518 -12.688 63 HD23 LEU 8 HD23 LEU 8 18.594 5.079 -13.304 64 H HIS 9 H HIS 9 15.344 4.507 -7.714 65 HA HIS 9 HA HIS 9 13.126 6.417 -7.476 66 HB2 HIS 9 HB2 HIS 9 12.975 3.476 -7.450 67 HB3 HIS 9 HB3 HIS 9 12.143 4.265 -6.112 68 HD1 HIS 9 HD1 HIS 9 10.317 6.119 -6.868 69 HD2 HIS 9 HD2 HIS 9 11.580 3.444 -9.787 70 HE1 HIS 9 HE1 HIS 9 8.586 6.243 -8.689 71 H ASP 10 H ASP 10 12.872 7.313 -5.487 72 HA ASP 10 HA ASP 10 14.974 7.433 -3.705 73 HB2 ASP 10 HB2 ASP 10 12.084 7.813 -2.912 74 HB3 ASP 10 HB3 ASP 10 13.503 8.580 -2.203 75 H CYS 11 H CYS 11 15.581 6.370 -1.878 76 HA CYS 11 HA CYS 11 13.962 4.044 -1.072 77 HB2 CYS 11 HB2 CYS 11 15.906 2.691 -0.843 78 HB3 CYS 11 HB3 CYS 11 16.022 3.455 -2.426 79 H SER 12 H SER 12 15.109 6.954 -0.147 80 HA SER 12 HA SER 12 16.286 6.650 2.334 81 HB2 SER 12 HB2 SER 12 14.975 8.767 0.883 82 HB3 SER 12 HB3 SER 12 14.523 8.835 2.587 83 HG SER 12 HG SER 12 16.381 9.925 2.559 84 H HIS 13 H HIS 13 12.968 6.189 1.396 85 HA HIS 13 HA HIS 13 11.730 6.335 3.905 86 HB2 HIS 13 HB2 HIS 13 10.990 4.590 1.547 87 HB3 HIS 13 HB3 HIS 13 9.935 4.988 2.902 88 HD1 HIS 13 HD1 HIS 13 11.004 8.084 2.826 89 HD2 HIS 13 HD2 HIS 13 9.225 5.894 -0.224 90 HE1 HIS 13 HE1 HIS 13 10.018 9.788 1.260 91 H ASP 14 H ASP 14 13.453 3.719 2.309 92 HA ASP 14 HA ASP 14 13.931 2.398 4.796 93 HB2 ASP 14 HB2 ASP 14 11.702 1.506 3.101 94 HB3 ASP 14 HB3 ASP 14 12.834 0.227 3.532 95 H ARG 15 H ARG 15 15.955 1.730 4.608 96 HA ARG 15 HA ARG 15 17.331 1.562 2.158 97 HB2 ARG 15 HB2 ARG 15 19.210 0.815 3.426 98 HB3 ARG 15 HB3 ARG 15 18.353 1.990 4.415 99 HG2 ARG 15 HG2 ARG 15 17.261 0.088 5.600 100 HG3 ARG 15 HG3 ARG 15 18.315 -1.004 4.700 101 HD2 ARG 15 HD2 ARG 15 19.621 -0.751 6.533 102 HD3 ARG 15 HD3 ARG 15 20.159 0.677 5.650 103 HE ARG 15 HE ARG 15 18.001 1.488 7.160 104 HH11 ARG 15 HH11 ARG 15 21.140 0.108 7.755 105 HH12 ARG 15 HH12 ARG 15 21.322 0.861 9.305 106 HH21 ARG 15 HH21 ARG 15 18.228 2.486 9.198 107 HH22 ARG 15 HH22 ARG 15 19.665 2.214 10.124 108 H HIS 16 H HIS 16 15.268 -0.640 3.716 109 HA HIS 16 HA HIS 16 16.282 -2.850 2.050 110 HB2 HIS 16 HB2 HIS 16 14.989 -2.833 4.761 111 HB3 HIS 16 HB3 HIS 16 14.913 -4.269 3.744 112 HD1 HIS 16 HD1 HIS 16 18.039 -3.115 2.851 113 HD2 HIS 16 HD2 HIS 16 16.568 -4.740 6.380 114 HE1 HIS 16 HE1 HIS 16 20.052 -3.988 4.081 115 H SER 17 H SER 17 14.353 -0.651 1.410 116 HA SER 17 HA SER 17 11.872 -2.157 1.029 117 HB2 SER 17 HB2 SER 17 12.567 0.674 1.275 118 HB3 SER 17 HB3 SER 17 11.460 0.352 -0.059 119 HG SER 17 HG SER 17 9.972 -0.391 1.329 120 H CYS 18 H CYS 18 14.610 -0.933 -0.700 121 HA CYS 18 HA CYS 18 13.671 -0.760 -3.293 122 HB2 CYS 18 HB2 CYS 18 16.335 -1.607 -2.178 123 HB3 CYS 18 HB3 CYS 18 16.048 -1.537 -3.914 124 H CYS 19 H CYS 19 13.362 -2.184 -4.972 125 HA CYS 19 HA CYS 19 12.302 -4.678 -4.462 126 HB2 CYS 19 HB2 CYS 19 13.639 -3.758 -7.016 127 HB3 CYS 19 HB3 CYS 19 12.521 -5.111 -6.872 128 H ARG 20 H ARG 20 13.153 -6.786 -5.428 129 HA ARG 20 HA ARG 20 16.038 -7.080 -4.941 130 HB2 ARG 20 HB2 ARG 20 15.654 -9.137 -3.699 131 HB3 ARG 20 HB3 ARG 20 14.820 -7.796 -2.925 132 HG2 ARG 20 HG2 ARG 20 12.713 -8.532 -3.710 133 HG3 ARG 20 HG3 ARG 20 13.455 -9.703 -4.802 134 HD2 ARG 20 HD2 ARG 20 13.940 -11.176 -3.113 135 HD3 ARG 20 HD3 ARG 20 14.033 -9.909 -1.890 136 HE ARG 20 HE ARG 20 11.402 -9.977 -2.676 137 HH11 ARG 20 HH11 ARG 20 13.678 -12.233 -1.315 138 HH12 ARG 20 HH12 ARG 20 12.468 -13.145 -0.472 139 HH21 ARG 20 HH21 ARG 20 9.801 -11.168 -1.570 140 HH22 ARG 20 HH22 ARG 20 10.264 -12.538 -0.618 141 H GLY 21 H GLY 21 16.780 -9.342 -5.673 142 HA2 GLY 21 HA2 GLY 21 15.284 -10.175 -8.075 143 HA3 GLY 21 HA3 GLY 21 17.003 -9.820 -8.178 144 H ASP 22 H ASP 22 17.596 -11.878 -8.814 145 HA ASP 22 HA ASP 22 16.941 -14.107 -7.040 146 HB2 ASP 22 HB2 ASP 22 16.860 -14.133 -9.659 147 HB3 ASP 22 HB3 ASP 22 18.597 -14.387 -9.522 148 H MET 23 H MET 23 19.675 -12.216 -8.180 149 HA MET 23 HA MET 23 21.537 -13.823 -6.612 150 HB2 MET 23 HB2 MET 23 22.031 -11.444 -8.411 151 HB3 MET 23 HB3 MET 23 23.278 -12.410 -7.633 152 HG2 MET 23 HG2 MET 23 23.290 -13.409 -9.656 153 HG3 MET 23 HG3 MET 23 22.016 -14.365 -8.903 154 HE1 MET 23 HE1 MET 23 23.298 -12.519 -11.504 155 HE2 MET 23 HE2 MET 23 22.045 -12.655 -12.737 156 HE3 MET 23 HE3 MET 23 22.213 -11.163 -11.810 157 H PHE 24 H PHE 24 21.040 -10.311 -7.007 158 HA PHE 24 HA PHE 24 21.039 -10.002 -4.106 159 HB2 PHE 24 HB2 PHE 24 22.922 -8.450 -5.893 160 HB3 PHE 24 HB3 PHE 24 22.748 -8.264 -4.152 161 HD1 PHE 24 HD1 PHE 24 24.047 -10.384 -6.836 162 HD2 PHE 24 HD2 PHE 24 23.709 -9.855 -2.627 163 HE1 PHE 24 HE1 PHE 24 25.786 -12.089 -6.485 164 HE2 PHE 24 HE2 PHE 24 25.449 -11.559 -2.269 165 HZ PHE 24 HZ PHE 24 26.489 -12.679 -4.200 166 H LYS 25 H LYS 25 20.369 -7.834 -3.423 167 HA LYS 25 HA LYS 25 18.373 -6.767 -5.271 168 HB2 LYS 25 HB2 LYS 25 17.415 -5.669 -3.320 169 HB3 LYS 25 HB3 LYS 25 17.652 -7.381 -3.001 170 HG2 LYS 25 HG2 LYS 25 19.925 -6.557 -1.987 171 HG3 LYS 25 HG3 LYS 25 19.060 -5.024 -1.856 172 HD2 LYS 25 HD2 LYS 25 18.037 -7.648 -0.777 173 HD3 LYS 25 HD3 LYS 25 18.919 -6.456 0.182 174 HE2 LYS 25 HE2 LYS 25 17.195 -4.888 0.032 175 HE3 LYS 25 HE3 LYS 25 16.452 -5.699 -1.346 176 HZ1 LYS 25 HZ1 LYS 25 15.742 -5.970 1.288 177 HZ2 LYS 25 HZ2 LYS 25 16.566 -7.403 0.931 178 HZ3 LYS 25 HZ3 LYS 25 15.230 -6.943 0.002 179 H TYR 26 H TYR 26 18.028 -4.353 -5.200 180 HA TYR 26 HA TYR 26 20.359 -3.042 -6.086 181 HB2 TYR 26 HB2 TYR 26 17.693 -1.882 -5.250 182 HB3 TYR 26 HB3 TYR 26 18.946 -1.007 -6.123 183 HD1 TYR 26 HD2 TYR 26 19.836 -2.762 -8.185 184 HD2 TYR 26 HD1 TYR 26 15.900 -2.282 -6.644 185 HE1 TYR 26 HE2 TYR 26 18.909 -3.557 -10.321 186 HE2 TYR 26 HE1 TYR 26 14.962 -3.077 -8.774 187 HH TYR 26 HH TYR 26 15.828 -4.594 -10.715 188 H VAL 27 H VAL 27 21.413 -1.186 -5.186 189 HA VAL 27 HA VAL 27 21.446 -1.228 -2.242 190 HB VAL 27 HB VAL 27 23.733 -0.157 -2.525 191 HG11 VAL 27 HG11 VAL 27 22.904 -2.906 -2.824 192 HG12 VAL 27 HG12 VAL 27 24.445 -2.611 -3.633 193 HG13 VAL 27 HG13 VAL 27 24.259 -2.233 -1.920 194 HG21 VAL 27 HG21 VAL 27 24.851 -0.287 -4.603 195 HG22 VAL 27 HG22 VAL 27 23.564 -1.255 -5.321 196 HG23 VAL 27 HG23 VAL 27 23.282 0.445 -4.944 197 H CYS 28 H CYS 28 21.437 0.688 -1.083 198 HA CYS 28 HA CYS 28 20.106 2.890 -2.354 199 HB2 CYS 28 HB2 CYS 28 20.848 2.131 0.416 200 HB3 CYS 28 HB3 CYS 28 20.672 3.853 0.097 201 H ASP 29 H ASP 29 20.976 4.677 -3.178 202 HA ASP 29 HA ASP 29 23.760 5.336 -2.479 203 HB2 ASP 29 HB2 ASP 29 22.744 4.562 -5.027 204 HB3 ASP 29 HB3 ASP 29 23.187 6.265 -5.113 205 H CYS 30 H CYS 30 23.867 7.246 -1.524 206 HA CYS 30 HA CYS 30 21.751 9.212 -2.012 207 HB2 CYS 30 HB2 CYS 30 23.876 9.184 0.142 208 HB3 CYS 30 HB3 CYS 30 22.511 10.292 0.039 209 H PHE 31 H PHE 31 22.108 10.932 -3.240 210 HA PHE 31 HA PHE 31 24.784 12.073 -3.421 211 HB2 PHE 31 HB2 PHE 31 24.341 12.231 -5.998 212 HB3 PHE 31 HB3 PHE 31 25.014 10.756 -5.313 213 HD1 PHE 31 HD2 PHE 31 23.638 8.749 -5.087 214 HD2 PHE 31 HD1 PHE 31 22.138 12.283 -6.927 215 HE1 PHE 31 HE2 PHE 31 21.788 7.453 -6.060 216 HE2 PHE 31 HE1 PHE 31 20.285 10.992 -7.902 217 HZ PHE 31 HZ PHE 31 20.107 8.574 -7.468 218 H TYR 32 H TYR 32 24.557 14.032 -5.131 219 HA TYR 32 HA TYR 32 22.201 15.552 -4.231 220 HB2 TYR 32 HB2 TYR 32 24.737 16.822 -5.224 221 HB3 TYR 32 HB3 TYR 32 23.493 17.508 -4.185 222 HD1 TYR 32 HD2 TYR 32 26.388 15.237 -4.309 223 HD2 TYR 32 HD1 TYR 32 23.529 17.158 -1.811 224 HE1 TYR 32 HE2 TYR 32 27.715 14.628 -2.330 225 HE2 TYR 32 HE1 TYR 32 24.849 16.556 0.174 226 HH TYR 32 HH TYR 32 28.033 15.176 -0.086 227 HA PRO 33 HA PRO 33 21.688 15.036 -8.793 228 HB2 PRO 33 HB2 PRO 33 18.997 14.699 -8.671 229 HB3 PRO 33 HB3 PRO 33 20.142 13.368 -8.465 230 HG2 PRO 33 HG2 PRO 33 18.683 14.949 -6.383 231 HG3 PRO 33 HG3 PRO 33 18.963 13.200 -6.467 232 HD2 PRO 33 HD2 PRO 33 20.439 14.839 -4.895 233 HD3 PRO 33 HD3 PRO 33 21.111 13.379 -5.648 234 H GLU 34 H GLU 34 22.309 17.449 -8.212 235 HA GLU 34 HA GLU 34 21.877 19.680 -8.414 236 HB2 GLU 34 HB2 GLU 34 21.151 18.527 -10.687 237 HB3 GLU 34 HB3 GLU 34 19.557 19.076 -10.189 238 HG2 GLU 34 HG2 GLU 34 20.072 21.277 -10.455 239 HG3 GLU 34 HG3 GLU 34 21.784 21.032 -10.116 240 H GLY 35 H GLY 35 20.471 18.260 -6.280 241 HA2 GLY 35 HA2 GLY 35 18.474 20.312 -5.738 242 HA3 GLY 35 HA3 GLY 35 17.891 18.654 -5.776 243 H GLU 36 H GLU 36 20.157 20.839 -4.170 244 HA GLU 36 HA GLU 36 20.336 18.972 -1.916 245 HB2 GLU 36 HB2 GLU 36 22.130 20.565 -1.122 246 HB3 GLU 36 HB3 GLU 36 22.483 19.706 -2.614 247 HG2 GLU 36 HG2 GLU 36 22.421 21.583 -3.878 248 HG3 GLU 36 HG3 GLU 36 21.203 22.359 -2.866 249 H ASP 37 H ASP 37 18.135 19.429 -1.261 250 HA ASP 37 HA ASP 37 17.592 22.101 -0.238 251 HB2 ASP 37 HB2 ASP 37 15.907 19.597 -0.397 252 HB3 ASP 37 HB3 ASP 37 15.353 21.096 0.343 253 H LYS 38 H LYS 38 16.917 18.925 1.209 254 HA LYS 38 HA LYS 38 17.810 20.003 3.791 255 HB2 LYS 38 HB2 LYS 38 15.828 17.918 2.983 256 HB3 LYS 38 HB3 LYS 38 16.601 17.782 4.557 257 HG2 LYS 38 HG2 LYS 38 15.370 20.378 3.777 258 HG3 LYS 38 HG3 LYS 38 14.328 19.044 4.279 259 HD2 LYS 38 HD2 LYS 38 16.689 19.925 5.918 260 HD3 LYS 38 HD3 LYS 38 15.101 20.679 6.085 261 HE2 LYS 38 HE2 LYS 38 15.294 17.709 6.193 262 HE3 LYS 38 HE3 LYS 38 15.823 18.639 7.593 263 HZ1 LYS 38 HZ1 LYS 38 13.438 17.921 7.603 264 HZ2 LYS 38 HZ2 LYS 38 13.167 19.004 6.334 265 HZ3 LYS 38 HZ3 LYS 38 13.689 19.578 7.837 266 H THR 39 H THR 39 17.680 16.722 2.408 267 HA THR 39 HA THR 39 20.496 16.372 3.207 268 HB THR 39 HB THR 39 18.922 15.158 4.723 269 HG1 THR 39 HG1 THR 39 20.662 13.965 4.844 270 HG21 THR 39 HG21 THR 39 17.352 14.639 2.711 271 HG22 THR 39 HG22 THR 39 17.533 13.447 3.999 272 HG23 THR 39 HG23 THR 39 18.405 13.243 2.480 273 H GLU 40 H GLU 40 21.378 14.264 2.125 274 HA GLU 40 HA GLU 40 21.348 14.705 -0.671 275 HB2 GLU 40 HB2 GLU 40 22.344 12.188 0.643 276 HB3 GLU 40 HB3 GLU 40 22.928 12.956 -0.826 277 HG2 GLU 40 HG2 GLU 40 23.575 14.915 0.705 278 HG3 GLU 40 HG3 GLU 40 23.378 13.757 2.019 279 H VAL 41 H VAL 41 20.368 13.624 -2.323 280 HA VAL 41 HA VAL 41 17.948 12.223 -1.721 281 HB VAL 41 HB VAL 41 19.286 12.531 -4.410 282 HG11 VAL 41 HG11 VAL 41 16.437 12.533 -4.491 283 HG12 VAL 41 HG12 VAL 41 17.564 11.394 -5.228 284 HG13 VAL 41 HG13 VAL 41 16.980 11.120 -3.585 285 HG21 VAL 41 HG21 VAL 41 19.007 14.722 -3.513 286 HG22 VAL 41 HG22 VAL 41 17.708 14.462 -4.677 287 HG23 VAL 41 HG23 VAL 41 17.378 14.348 -2.949 288 H CYS 42 H CYS 42 17.892 10.165 -1.126 289 HA CYS 42 HA CYS 42 19.969 8.331 -2.084 290 HB2 CYS 42 HB2 CYS 42 17.914 7.911 0.095 291 HB3 CYS 42 HB3 CYS 42 19.268 6.852 -0.281 292 H SER 43 H SER 43 19.527 7.082 -3.763 293 HA SER 43 HA SER 43 16.768 6.123 -4.126 294 HB2 SER 43 HB2 SER 43 16.749 6.623 -6.401 295 HB3 SER 43 HB3 SER 43 17.603 8.012 -5.729 296 HG SER 43 HG SER 43 18.527 6.794 -7.639 297 H CYS 44 H CYS 44 16.716 4.239 -5.721 298 HA CYS 44 HA CYS 44 18.603 2.265 -4.789 299 HB2 CYS 44 HB2 CYS 44 16.324 2.005 -6.764 300 HB3 CYS 44 HB3 CYS 44 17.220 0.671 -6.046 301 H GLN 45 H GLN 45 20.477 1.854 -5.736 302 HA GLN 45 HA GLN 45 20.718 2.299 -8.638 303 HB2 GLN 45 HB2 GLN 45 22.654 2.937 -6.425 304 HB3 GLN 45 HB3 GLN 45 23.193 2.731 -8.086 305 HG2 GLN 45 HG2 GLN 45 20.927 4.562 -7.734 306 HG3 GLN 45 HG3 GLN 45 22.439 5.084 -6.993 307 HE21 GLN 45 HE21 GLN 45 20.646 4.966 -9.812 308 HE22 GLN 45 HE22 GLN 45 21.882 5.419 -10.930 309 H GLN 46 H GLN 46 22.359 0.974 -9.707 310 HA GLN 46 HA GLN 46 22.076 -1.747 -9.122 311 HB2 GLN 46 HB2 GLN 46 24.203 -0.397 -10.794 312 HB3 GLN 46 HB3 GLN 46 23.810 -2.111 -10.830 313 HG2 GLN 46 HG2 GLN 46 21.523 -0.345 -11.285 314 HG3 GLN 46 HG3 GLN 46 22.790 -0.232 -12.507 315 HE21 GLN 46 HE21 GLN 46 20.017 -1.777 -11.693 316 HE22 GLN 46 HE22 GLN 46 20.204 -3.224 -12.620 317 HA PRO 47 HA PRO 47 25.122 -2.641 -6.094 318 HB2 PRO 47 HB2 PRO 47 25.862 -5.150 -6.821 319 HB3 PRO 47 HB3 PRO 47 24.301 -4.787 -6.076 320 HG2 PRO 47 HG2 PRO 47 24.970 -5.207 -8.963 321 HG3 PRO 47 HG3 PRO 47 23.586 -5.813 -8.036 322 HD2 PRO 47 HD2 PRO 47 23.412 -3.665 -9.675 323 HD3 PRO 47 HD3 PRO 47 22.445 -3.817 -8.194 324 H LYS 48 H LYS 48 27.413 -3.831 -6.013 325 HA LYS 48 HA LYS 48 29.061 -3.237 -8.326 326 HB2 LYS 48 HB2 LYS 48 28.845 -1.104 -6.956 327 HB3 LYS 48 HB3 LYS 48 29.730 -1.937 -5.686 328 HG2 LYS 48 HG2 LYS 48 31.700 -1.766 -6.761 329 HG3 LYS 48 HG3 LYS 48 30.973 -1.997 -8.354 330 HD2 LYS 48 HD2 LYS 48 30.089 0.319 -8.228 331 HD3 LYS 48 HD3 LYS 48 30.957 0.530 -6.705 332 HE2 LYS 48 HE2 LYS 48 32.775 1.103 -7.842 333 HE3 LYS 48 HE3 LYS 48 32.800 -0.494 -8.586 334 HZ1 LYS 48 HZ1 LYS 48 32.751 1.379 -10.189 335 HZ2 LYS 48 HZ2 LYS 48 31.211 1.788 -9.623 336 HZ3 LYS 48 HZ3 LYS 48 31.466 0.295 -10.377 337 H SER 49 H SER 49 28.380 -5.657 -7.025 338 HA SER 49 HA SER 49 31.026 -6.458 -6.014 339 HB2 SER 49 HB2 SER 49 30.162 -7.474 -4.182 340 HB3 SER 49 HB3 SER 49 28.787 -6.403 -4.449 341 HG SER 49 HG SER 49 27.625 -8.078 -4.928 342 H HIS 50 H HIS 50 29.007 -6.693 -8.518 343 HA HIS 50 HA HIS 50 30.270 -8.946 -9.645 344 HB2 HIS 50 HB2 HIS 50 28.694 -10.051 -7.992 345 HB3 HIS 50 HB3 HIS 50 27.367 -9.437 -8.975 346 HD1 HIS 50 HD1 HIS 50 30.585 -11.289 -9.850 347 HD2 HIS 50 HD2 HIS 50 26.489 -11.455 -10.525 348 HE1 HIS 50 HE1 HIS 50 30.234 -13.256 -11.377 349 H LYS 51 H LYS 51 30.299 -8.556 -11.753 350 HA LYS 51 HA LYS 51 27.928 -7.515 -13.088 351 HB2 LYS 51 HB2 LYS 51 30.448 -6.005 -12.690 352 HB3 LYS 51 HB3 LYS 51 29.748 -5.941 -14.302 353 HG2 LYS 51 HG2 LYS 51 27.607 -5.201 -13.274 354 HG3 LYS 51 HG3 LYS 51 28.440 -5.118 -11.720 355 HD2 LYS 51 HD2 LYS 51 29.836 -3.370 -12.438 356 HD3 LYS 51 HD3 LYS 51 29.454 -3.652 -14.138 357 HE2 LYS 51 HE2 LYS 51 26.992 -3.126 -13.166 358 HE3 LYS 51 HE3 LYS 51 27.975 -2.145 -12.079 359 HZ1 LYS 51 HZ1 LYS 51 27.274 -0.901 -14.033 360 HZ2 LYS 51 HZ2 LYS 51 28.042 -2.016 -15.047 361 HZ3 LYS 51 HZ3 LYS 51 28.958 -1.060 -13.993 362 H ILE 52 H ILE 52 31.346 -7.702 -14.044 363 HA ILE 52 HA ILE 52 30.566 -9.684 -16.084 364 HB ILE 52 HB ILE 52 31.194 -7.509 -17.062 365 HG12 ILE 52 HG12 ILE 52 32.869 -8.378 -18.656 366 HG13 ILE 52 HG13 ILE 52 33.196 -9.723 -17.568 367 HG21 ILE 52 HG21 ILE 52 34.039 -7.883 -16.325 368 HG22 ILE 52 HG22 ILE 52 33.133 -6.404 -16.637 369 HG23 ILE 52 HG23 ILE 52 32.959 -7.235 -15.092 370 HD11 ILE 52 HD11 ILE 52 31.398 -9.707 -19.642 371 HD12 ILE 52 HD12 ILE 52 31.451 -10.872 -18.319 372 HD13 ILE 52 HD13 ILE 52 30.380 -9.475 -18.221 373 H ALA 53 H ALA 53 32.805 -8.811 -13.581 374 HA ALA 53 HA ALA 53 33.689 -11.435 -13.165 375 HB1 ALA 53 HB1 ALA 53 36.121 -10.138 -14.047 376 HB2 ALA 53 HB2 ALA 53 35.478 -11.729 -14.456 377 HB3 ALA 53 HB3 ALA 53 34.954 -10.307 -15.360 378 H GLU 54 H GLU 54 34.446 -8.004 -12.918 379 HA GLU 54 HA GLU 54 35.213 -6.719 -11.203 380 HB2 GLU 54 HB2 GLU 54 33.866 -8.987 -9.802 381 HB3 GLU 54 HB3 GLU 54 34.818 -7.858 -8.849 382 HG2 GLU 54 HG2 GLU 54 32.916 -6.643 -10.735 383 HG3 GLU 54 HG3 GLU 54 32.205 -7.545 -9.397 384 H LYS 55 H LYS 55 37.308 -7.532 -12.328 385 HA LYS 55 HA LYS 55 38.999 -8.857 -10.310 386 HB2 LYS 55 HB2 LYS 55 39.001 -10.247 -12.217 387 HB3 LYS 55 HB3 LYS 55 39.112 -8.878 -13.316 388 HG2 LYS 55 HG2 LYS 55 41.395 -8.457 -12.578 389 HG3 LYS 55 HG3 LYS 55 41.286 -9.812 -11.452 390 HD2 LYS 55 HD2 LYS 55 42.456 -10.487 -13.470 391 HD3 LYS 55 HD3 LYS 55 40.913 -11.335 -13.348 392 HE2 LYS 55 HE2 LYS 55 40.774 -8.797 -14.800 393 HE3 LYS 55 HE3 LYS 55 41.817 -10.000 -15.557 394 HZ1 LYS 55 HZ1 LYS 55 39.895 -11.580 -15.298 395 HZ2 LYS 55 HZ2 LYS 55 39.678 -10.342 -16.429 396 HZ3 LYS 55 HZ3 LYS 55 38.938 -10.241 -14.911 397 H ILE 56 H ILE 56 38.527 -6.065 -12.291 398 HA ILE 56 HA ILE 56 39.558 -4.039 -12.371 399 HB ILE 56 HB ILE 56 41.036 -4.926 -9.893 400 HG12 ILE 56 HG12 ILE 56 38.374 -3.509 -10.149 401 HG13 ILE 56 HG13 ILE 56 38.608 -5.166 -9.602 402 HG21 ILE 56 HG21 ILE 56 41.392 -2.681 -11.441 403 HG22 ILE 56 HG22 ILE 56 40.314 -2.120 -10.164 404 HG23 ILE 56 HG23 ILE 56 41.862 -2.857 -9.750 405 HD11 ILE 56 HD11 ILE 56 38.671 -4.355 -7.544 406 HD12 ILE 56 HD12 ILE 56 40.240 -3.656 -7.948 407 HD13 ILE 56 HD13 ILE 56 38.772 -2.695 -8.129 408 H ILE 57 H ILE 57 40.694 -4.394 -14.269 409 HA ILE 57 HA ILE 57 43.144 -5.796 -14.427 410 HB ILE 57 HB ILE 57 43.424 -4.596 -16.613 411 HG12 ILE 57 HG12 ILE 57 40.644 -3.589 -16.450 412 HG13 ILE 57 HG13 ILE 57 41.848 -2.676 -15.546 413 HG21 ILE 57 HG21 ILE 57 42.276 -6.751 -16.433 414 HG22 ILE 57 HG22 ILE 57 40.750 -5.911 -16.157 415 HG23 ILE 57 HG23 ILE 57 41.579 -5.748 -17.705 416 HD11 ILE 57 HD11 ILE 57 42.983 -3.136 -18.055 417 HD12 ILE 57 HD12 ILE 57 41.303 -2.690 -18.358 418 HD13 ILE 57 HD13 ILE 57 42.345 -1.620 -17.420 419 H ASP 58 H ASP 58 42.333 -2.589 -13.448 420 HA ASP 58 HA ASP 58 43.574 -0.867 -12.629 421 HB2 ASP 58 HB2 ASP 58 44.980 -3.213 -11.921 422 HB3 ASP 58 HB3 ASP 58 46.185 -2.062 -12.491 423 H LYS 59 H LYS 59 43.769 0.651 -14.153 424 HA LYS 59 HA LYS 59 44.657 1.924 -15.816 425 HB2 LYS 59 HB2 LYS 59 46.861 0.745 -14.499 426 HB3 LYS 59 HB3 LYS 59 47.191 0.624 -16.222 427 HG2 LYS 59 HG2 LYS 59 46.181 3.240 -15.490 428 HG3 LYS 59 HG3 LYS 59 47.649 2.814 -14.607 429 HD2 LYS 59 HD2 LYS 59 48.536 3.768 -16.504 430 HD3 LYS 59 HD3 LYS 59 48.491 2.066 -16.973 431 HE2 LYS 59 HE2 LYS 59 46.263 2.515 -18.030 432 HE3 LYS 59 HE3 LYS 59 46.528 4.229 -17.717 433 HZ1 LYS 59 HZ1 LYS 59 48.813 3.469 -18.951 434 HZ2 LYS 59 HZ2 LYS 59 47.506 4.234 -19.704 435 HZ3 LYS 59 HZ3 LYS 59 47.646 2.550 -19.761 436 H ALA 60 H ALA 60 43.561 1.537 -17.642 437 HA ALA 60 HA ALA 60 43.468 -0.911 -19.017 438 HB1 ALA 60 HB1 ALA 60 42.076 1.414 -19.161 439 HB2 ALA 60 HB2 ALA 60 43.024 1.488 -20.648 440 HB3 ALA 60 HB3 ALA 60 41.968 0.108 -20.341 441 H LYS 61 H LYS 61 43.968 -0.647 -21.600 442 HA LYS 61 HA LYS 61 46.846 -0.029 -21.756 443 HB2 LYS 61 HB2 LYS 61 45.392 -2.449 -22.367 444 HB3 LYS 61 HB3 LYS 61 46.221 -1.854 -23.798 445 HG2 LYS 61 HG2 LYS 61 48.302 -2.162 -22.894 446 HG3 LYS 61 HG3 LYS 61 47.722 -2.007 -21.233 447 HD2 LYS 61 HD2 LYS 61 46.664 -4.297 -22.767 448 HD3 LYS 61 HD3 LYS 61 48.384 -4.356 -22.375 449 HE2 LYS 61 HE2 LYS 61 47.902 -4.098 -20.027 450 HE3 LYS 61 HE3 LYS 61 46.189 -3.860 -20.367 451 HZ1 LYS 61 HZ1 LYS 61 46.716 -6.120 -19.601 452 HZ2 LYS 61 HZ2 LYS 61 47.695 -6.349 -20.961 453 HZ3 LYS 61 HZ3 LYS 61 46.031 -6.111 -21.149 454 H THR 62 H THR 62 47.642 0.607 -23.872 455 HA THR 62 HA THR 62 45.629 2.167 -25.337 456 HB THR 62 HB THR 62 47.907 3.160 -26.318 457 HG1 THR 62 HG1 THR 62 49.273 1.823 -25.091 458 HG21 THR 62 HG21 THR 62 47.358 5.022 -25.161 459 HG22 THR 62 HG22 THR 62 47.358 4.184 -23.610 460 HG23 THR 62 HG23 THR 62 45.957 4.070 -24.674 461 H THR 63 H THR 63 46.345 2.543 -27.723 462 HA THR 63 HA THR 63 47.375 0.067 -28.909 463 HB THR 63 HB THR 63 45.362 0.847 -30.665 464 HG1 THR 63 HG1 THR 63 44.539 1.085 -27.959 465 HG21 THR 63 HG21 THR 63 46.002 -1.409 -28.930 466 HG22 THR 63 HG22 THR 63 45.393 -1.392 -30.586 467 HG23 THR 63 HG23 THR 63 44.274 -1.241 -29.233 468 H LEU 64 H LEU 64 47.682 0.363 -31.341 469 HA LEU 64 HA LEU 64 49.396 2.562 -31.775 470 HB2 LEU 64 HB2 LEU 64 49.159 0.178 -32.927 471 HB3 LEU 64 HB3 LEU 64 48.230 1.118 -34.093 472 HG LEU 64 HG LEU 64 51.028 1.884 -33.308 473 HD11 LEU 64 HD11 LEU 64 50.249 0.123 -35.624 474 HD12 LEU 64 HD12 LEU 64 50.999 -0.454 -34.137 475 HD13 LEU 64 HD13 LEU 64 51.872 0.659 -35.190 476 HD21 LEU 64 HD21 LEU 64 50.529 2.537 -35.944 477 HD22 LEU 64 HD22 LEU 64 50.477 3.638 -34.566 478 HD23 LEU 64 HD23 LEU 64 48.997 2.865 -35.136 Start of MODEL 6 1 H1 ALA 1 H ALA 1 0.349 -5.799 -0.707 2 HA ALA 1 HA ALA 1 -1.830 -4.052 -0.958 3 HB1 ALA 1 HB1 ALA 1 0.560 -3.115 0.522 4 HB2 ALA 1 HB2 ALA 1 -1.136 -3.141 1.004 5 HB3 ALA 1 HB3 ALA 1 -0.183 -4.625 1.051 6 H LYS 2 H LYS 2 1.449 -3.867 -2.161 7 HA LYS 2 HA LYS 2 0.808 -1.912 -4.091 8 HB2 LYS 2 HB2 LYS 2 2.218 -0.061 -3.239 9 HB3 LYS 2 HB3 LYS 2 0.803 -0.357 -2.238 10 HG2 LYS 2 HG2 LYS 2 2.317 -1.742 -0.753 11 HG3 LYS 2 HG3 LYS 2 3.666 -1.054 -1.661 12 HD2 LYS 2 HD2 LYS 2 3.445 0.346 0.203 13 HD3 LYS 2 HD3 LYS 2 2.638 1.224 -1.099 14 HE2 LYS 2 HE2 LYS 2 0.559 0.912 -0.205 15 HE3 LYS 2 HE3 LYS 2 1.000 -0.611 0.565 16 HZ1 LYS 2 HZ1 LYS 2 0.659 1.065 2.229 17 HZ2 LYS 2 HZ2 LYS 2 1.756 2.111 1.478 18 HZ3 LYS 2 HZ3 LYS 2 2.305 0.675 2.185 19 H ALA 3 H ALA 3 2.747 -1.197 -5.319 20 HA ALA 3 HA ALA 3 4.452 -3.393 -5.840 21 HB1 ALA 3 HB1 ALA 3 5.160 -0.653 -6.770 22 HB2 ALA 3 HB2 ALA 3 5.231 -2.191 -7.631 23 HB3 ALA 3 HB3 ALA 3 3.677 -1.402 -7.361 24 H CYS 4 H CYS 4 6.902 -3.064 -5.992 25 HA CYS 4 HA CYS 4 7.828 -2.255 -3.345 26 HB2 CYS 4 HB2 CYS 4 9.890 -3.473 -3.933 27 HB3 CYS 4 HB3 CYS 4 8.459 -4.482 -4.121 28 H THR 5 H THR 5 10.434 -1.655 -3.731 29 HA THR 5 HA THR 5 10.294 0.851 -5.271 30 HB THR 5 HB THR 5 12.171 0.198 -2.993 31 HG1 THR 5 HG1 THR 5 10.366 0.509 -1.891 32 HG21 THR 5 HG21 THR 5 12.762 1.967 -4.787 33 HG22 THR 5 HG22 THR 5 12.892 2.413 -3.086 34 HG23 THR 5 HG23 THR 5 11.495 2.930 -4.029 35 HA PRO 6 HA PRO 6 13.271 -1.669 -7.685 36 HB2 PRO 6 HB2 PRO 6 12.646 -0.506 -10.057 37 HB3 PRO 6 HB3 PRO 6 11.723 -1.849 -9.374 38 HG2 PRO 6 HG2 PRO 6 11.124 1.083 -9.315 39 HG3 PRO 6 HG3 PRO 6 10.028 -0.276 -9.620 40 HD2 PRO 6 HD2 PRO 6 10.170 0.971 -7.221 41 HD3 PRO 6 HD3 PRO 6 9.800 -0.758 -7.377 42 H LEU 7 H LEU 7 14.598 -0.555 -9.733 43 HA LEU 7 HA LEU 7 16.417 1.202 -8.457 44 HB2 LEU 7 HB2 LEU 7 16.773 -0.485 -10.397 45 HB3 LEU 7 HB3 LEU 7 16.284 0.859 -11.426 46 HG LEU 7 HG LEU 7 18.263 1.921 -9.782 47 HD11 LEU 7 HD11 LEU 7 19.333 0.095 -9.001 48 HD12 LEU 7 HD12 LEU 7 20.066 0.111 -10.605 49 HD13 LEU 7 HD13 LEU 7 18.701 -0.955 -10.270 50 HD21 LEU 7 HD21 LEU 7 19.542 1.301 -12.124 51 HD22 LEU 7 HD22 LEU 7 18.525 2.717 -11.854 52 HD23 LEU 7 HD23 LEU 7 17.843 1.268 -12.595 53 H LEU 8 H LEU 8 16.958 3.365 -9.013 54 HA LEU 8 HA LEU 8 16.523 5.550 -9.472 55 HB2 LEU 8 HB2 LEU 8 14.485 4.587 -11.460 56 HB3 LEU 8 HB3 LEU 8 15.368 6.113 -11.463 57 HG LEU 8 HG LEU 8 16.657 3.421 -11.894 58 HD11 LEU 8 HD11 LEU 8 16.192 3.498 -14.078 59 HD12 LEU 8 HD12 LEU 8 16.463 5.238 -14.171 60 HD13 LEU 8 HD13 LEU 8 14.906 4.617 -13.624 61 HD21 LEU 8 HD21 LEU 8 17.593 6.256 -11.936 62 HD22 LEU 8 HD22 LEU 8 18.363 5.066 -12.986 63 HD23 LEU 8 HD23 LEU 8 18.358 4.829 -11.237 64 H HIS 9 H HIS 9 15.010 4.111 -7.446 65 HA HIS 9 HA HIS 9 12.719 5.941 -7.274 66 HB2 HIS 9 HB2 HIS 9 12.676 3.009 -7.285 67 HB3 HIS 9 HB3 HIS 9 11.831 3.720 -5.913 68 HD1 HIS 9 HD1 HIS 9 9.880 5.457 -6.557 69 HD2 HIS 9 HD2 HIS 9 11.288 3.048 -9.636 70 HE1 HIS 9 HE1 HIS 9 8.131 5.579 -8.360 71 H ASP 10 H ASP 10 12.382 6.844 -5.303 72 HA ASP 10 HA ASP 10 14.457 6.955 -3.446 73 HB2 ASP 10 HB2 ASP 10 12.597 7.907 -1.911 74 HB3 ASP 10 HB3 ASP 10 12.994 8.774 -3.391 75 H CYS 11 H CYS 11 14.904 5.922 -1.557 76 HA CYS 11 HA CYS 11 13.095 3.746 -0.743 77 HB2 CYS 11 HB2 CYS 11 14.938 2.268 -0.379 78 HB3 CYS 11 HB3 CYS 11 15.117 2.925 -2.002 79 H SER 12 H SER 12 13.780 6.574 0.202 80 HA SER 12 HA SER 12 15.147 6.451 2.642 81 HB2 SER 12 HB2 SER 12 14.683 8.583 1.591 82 HB3 SER 12 HB3 SER 12 12.945 8.321 1.738 83 HG SER 12 HG SER 12 14.528 9.484 3.475 84 H HIS 13 H HIS 13 11.855 5.664 1.793 85 HA HIS 13 HA HIS 13 10.692 5.674 4.339 86 HB2 HIS 13 HB2 HIS 13 10.019 3.798 2.066 87 HB3 HIS 13 HB3 HIS 13 8.964 4.269 3.393 88 HD1 HIS 13 HD1 HIS 13 9.623 7.362 3.214 89 HD2 HIS 13 HD2 HIS 13 8.499 4.911 0.052 90 HE1 HIS 13 HE1 HIS 13 8.642 8.903 1.484 91 H ASP 14 H ASP 14 12.698 3.308 2.717 92 HA ASP 14 HA ASP 14 13.290 1.993 5.182 93 HB2 ASP 14 HB2 ASP 14 11.230 0.871 3.408 94 HB3 ASP 14 HB3 ASP 14 12.500 -0.265 3.852 95 H ARG 15 H ARG 15 15.390 1.624 5.017 96 HA ARG 15 HA ARG 15 16.830 1.695 2.610 97 HB2 ARG 15 HB2 ARG 15 17.785 0.355 5.136 98 HB3 ARG 15 HB3 ARG 15 18.753 1.146 3.897 99 HG2 ARG 15 HG2 ARG 15 18.760 2.904 5.259 100 HG3 ARG 15 HG3 ARG 15 17.094 3.160 4.734 101 HD2 ARG 15 HD2 ARG 15 16.724 3.109 6.971 102 HD3 ARG 15 HD3 ARG 15 16.646 1.374 6.661 103 HE ARG 15 HE ARG 15 19.273 1.827 7.192 104 HH11 ARG 15 HH11 ARG 15 16.298 2.523 8.861 105 HH12 ARG 15 HH12 ARG 15 17.006 2.414 10.439 106 HH21 ARG 15 HH21 ARG 15 20.217 1.680 9.264 107 HH22 ARG 15 HH22 ARG 15 19.235 1.936 10.667 108 H HIS 16 H HIS 16 15.043 -0.817 4.061 109 HA HIS 16 HA HIS 16 16.326 -2.803 2.302 110 HB2 HIS 16 HB2 HIS 16 15.156 -3.022 5.043 111 HB3 HIS 16 HB3 HIS 16 15.058 -4.416 3.972 112 HD1 HIS 16 HD1 HIS 16 17.056 -5.893 3.913 113 HD2 HIS 16 HD2 HIS 16 17.933 -2.136 5.456 114 HE1 HIS 16 HE1 HIS 16 19.440 -6.030 4.704 115 H SER 17 H SER 17 14.173 -0.867 1.679 116 HA SER 17 HA SER 17 11.860 -2.617 1.302 117 HB2 SER 17 HB2 SER 17 11.068 -0.570 2.048 118 HB3 SER 17 HB3 SER 17 12.301 0.342 1.178 119 HG SER 17 HG SER 17 9.813 -0.306 0.399 120 H CYS 18 H CYS 18 14.524 -1.284 -0.411 121 HA CYS 18 HA CYS 18 13.617 -1.136 -3.015 122 HB2 CYS 18 HB2 CYS 18 16.282 -1.916 -1.855 123 HB3 CYS 18 HB3 CYS 18 16.023 -1.882 -3.596 124 H CYS 19 H CYS 19 13.265 -2.559 -4.663 125 HA CYS 19 HA CYS 19 12.321 -5.101 -4.131 126 HB2 CYS 19 HB2 CYS 19 13.505 -4.130 -6.742 127 HB3 CYS 19 HB3 CYS 19 12.404 -5.490 -6.545 128 H ARG 20 H ARG 20 13.235 -7.137 -5.271 129 HA ARG 20 HA ARG 20 16.134 -7.325 -4.822 130 HB2 ARG 20 HB2 ARG 20 14.009 -9.221 -3.818 131 HB3 ARG 20 HB3 ARG 20 15.724 -9.610 -3.852 132 HG2 ARG 20 HG2 ARG 20 16.036 -7.487 -2.453 133 HG3 ARG 20 HG3 ARG 20 14.294 -7.577 -2.183 134 HD2 ARG 20 HD2 ARG 20 16.388 -9.610 -1.446 135 HD3 ARG 20 HD3 ARG 20 15.358 -8.679 -0.360 136 HE ARG 20 HE ARG 20 13.666 -10.145 -1.982 137 HH11 ARG 20 HH11 ARG 20 16.171 -10.784 0.349 138 HH12 ARG 20 HH12 ARG 20 15.493 -12.296 0.857 139 HH21 ARG 20 HH21 ARG 20 12.763 -12.133 -1.320 140 HH22 ARG 20 HH22 ARG 20 13.555 -13.062 -0.093 141 H GLY 21 H GLY 21 17.123 -9.234 -5.859 142 HA2 GLY 21 HA2 GLY 21 15.565 -10.302 -8.111 143 HA3 GLY 21 HA3 GLY 21 17.079 -9.474 -8.446 144 H ASP 22 H ASP 22 17.323 -11.742 -9.445 145 HA ASP 22 HA ASP 22 18.229 -13.697 -7.460 146 HB2 ASP 22 HB2 ASP 22 16.655 -14.230 -9.468 147 HB3 ASP 22 HB3 ASP 22 18.139 -14.209 -10.417 148 H MET 23 H MET 23 19.392 -11.483 -9.835 149 HA MET 23 HA MET 23 22.032 -12.699 -9.936 150 HB2 MET 23 HB2 MET 23 21.312 -11.837 -12.022 151 HB3 MET 23 HB3 MET 23 20.789 -10.320 -11.302 152 HG2 MET 23 HG2 MET 23 22.861 -9.433 -11.326 153 HG3 MET 23 HG3 MET 23 23.646 -10.978 -11.010 154 HE1 MET 23 HE1 MET 23 25.546 -10.109 -12.701 155 HE2 MET 23 HE2 MET 23 25.243 -9.713 -14.393 156 HE3 MET 23 HE3 MET 23 24.638 -8.655 -13.117 157 H PHE 24 H PHE 24 20.798 -9.429 -9.209 158 HA PHE 24 HA PHE 24 22.663 -9.267 -6.964 159 HB2 PHE 24 HB2 PHE 24 22.649 -7.464 -9.365 160 HB3 PHE 24 HB3 PHE 24 23.151 -6.845 -7.795 161 HD1 PHE 24 HD2 PHE 24 24.843 -8.570 -6.550 162 HD2 PHE 24 HD1 PHE 24 24.337 -8.123 -10.753 163 HE1 PHE 24 HE2 PHE 24 27.101 -9.476 -6.915 164 HE2 PHE 24 HE1 PHE 24 26.594 -9.029 -11.124 165 HZ PHE 24 HZ PHE 24 27.981 -9.706 -9.204 166 H LYS 25 H LYS 25 22.099 -7.718 -5.383 167 HA LYS 25 HA LYS 25 19.263 -6.993 -5.453 168 HB2 LYS 25 HB2 LYS 25 21.261 -7.402 -3.252 169 HB3 LYS 25 HB3 LYS 25 19.801 -6.468 -2.953 170 HG2 LYS 25 HG2 LYS 25 18.443 -8.285 -3.076 171 HG3 LYS 25 HG3 LYS 25 19.485 -9.124 -4.229 172 HD2 LYS 25 HD2 LYS 25 20.348 -8.672 -1.391 173 HD3 LYS 25 HD3 LYS 25 19.327 -10.043 -1.829 174 HE2 LYS 25 HE2 LYS 25 21.071 -10.612 -3.571 175 HE3 LYS 25 HE3 LYS 25 22.104 -9.409 -2.803 176 HZ1 LYS 25 HZ1 LYS 25 21.332 -10.880 -0.703 177 HZ2 LYS 25 HZ2 LYS 25 22.762 -11.140 -1.569 178 HZ3 LYS 25 HZ3 LYS 25 21.387 -12.064 -1.911 179 H TYR 26 H TYR 26 18.535 -4.918 -5.228 180 HA TYR 26 HA TYR 26 20.235 -2.823 -6.077 181 HB2 TYR 26 HB2 TYR 26 17.471 -2.713 -4.854 182 HB3 TYR 26 HB3 TYR 26 18.282 -1.358 -5.630 183 HD1 TYR 26 HD2 TYR 26 19.485 -2.669 -7.984 184 HD2 TYR 26 HD1 TYR 26 15.642 -3.164 -6.228 185 HE1 TYR 26 HE2 TYR 26 18.588 -3.374 -10.163 186 HE2 TYR 26 HE1 TYR 26 14.734 -3.872 -8.401 187 HH TYR 26 HH TYR 26 15.520 -4.815 -10.507 188 H VAL 27 H VAL 27 21.229 -1.195 -4.981 189 HA VAL 27 HA VAL 27 21.223 -1.404 -2.041 190 HB VAL 27 HB VAL 27 23.465 -0.206 -2.224 191 HG11 VAL 27 HG11 VAL 27 24.572 -2.208 -2.174 192 HG12 VAL 27 HG12 VAL 27 22.914 -2.769 -1.954 193 HG13 VAL 27 HG13 VAL 27 23.677 -2.865 -3.542 194 HG21 VAL 27 HG21 VAL 27 23.263 -1.150 -5.082 195 HG22 VAL 27 HG22 VAL 27 23.175 0.532 -4.561 196 HG23 VAL 27 HG23 VAL 27 24.661 -0.388 -4.323 197 H CYS 28 H CYS 28 20.734 0.343 -0.839 198 HA CYS 28 HA CYS 28 19.526 2.598 -2.095 199 HB2 CYS 28 HB2 CYS 28 20.034 1.728 0.713 200 HB3 CYS 28 HB3 CYS 28 19.667 3.426 0.428 201 H ASP 29 H ASP 29 20.620 4.193 -3.015 202 HA ASP 29 HA ASP 29 23.170 5.035 -1.802 203 HB2 ASP 29 HB2 ASP 29 23.781 4.294 -3.920 204 HB3 ASP 29 HB3 ASP 29 22.282 4.850 -4.658 205 H CYS 30 H CYS 30 23.349 7.073 -1.105 206 HA CYS 30 HA CYS 30 21.105 8.896 -1.637 207 HB2 CYS 30 HB2 CYS 30 23.135 8.939 0.607 208 HB3 CYS 30 HB3 CYS 30 21.799 10.069 0.415 209 H PHE 31 H PHE 31 21.433 10.579 -2.920 210 HA PHE 31 HA PHE 31 24.046 11.869 -3.000 211 HB2 PHE 31 HB2 PHE 31 24.303 11.736 -5.360 212 HB3 PHE 31 HB3 PHE 31 23.943 10.100 -4.818 213 HD1 PHE 31 HD2 PHE 31 21.643 9.186 -5.137 214 HD2 PHE 31 HD1 PHE 31 22.902 12.860 -6.879 215 HE1 PHE 31 HE2 PHE 31 19.765 9.075 -6.722 216 HE2 PHE 31 HE1 PHE 31 21.025 12.754 -8.467 217 HZ PHE 31 HZ PHE 31 19.454 10.859 -8.391 218 H TYR 32 H TYR 32 23.957 13.924 -4.295 219 HA TYR 32 HA TYR 32 21.316 15.180 -3.949 220 HB2 TYR 32 HB2 TYR 32 23.983 16.596 -3.983 221 HB3 TYR 32 HB3 TYR 32 22.425 17.254 -3.495 222 HD1 TYR 32 HD2 TYR 32 25.107 14.895 -2.541 223 HD2 TYR 32 HD1 TYR 32 21.613 16.970 -1.281 224 HE1 TYR 32 HE2 TYR 32 25.575 14.257 -0.213 225 HE2 TYR 32 HE1 TYR 32 22.073 16.338 1.051 226 HH TYR 32 HH TYR 32 25.060 14.918 2.015 227 HA PRO 33 HA PRO 33 21.127 15.950 -8.275 228 HB2 PRO 33 HB2 PRO 33 19.499 18.121 -8.273 229 HB3 PRO 33 HB3 PRO 33 18.919 16.486 -7.934 230 HG2 PRO 33 HG2 PRO 33 19.613 18.685 -6.024 231 HG3 PRO 33 HG3 PRO 33 18.235 17.571 -5.994 232 HD2 PRO 33 HD2 PRO 33 20.425 17.220 -4.442 233 HD3 PRO 33 HD3 PRO 33 19.477 15.860 -5.075 234 H GLU 34 H GLU 34 23.551 16.677 -7.694 235 HA GLU 34 HA GLU 34 25.259 18.154 -8.026 236 HB2 GLU 34 HB2 GLU 34 23.313 19.221 -10.079 237 HB3 GLU 34 HB3 GLU 34 25.034 19.576 -10.032 238 HG2 GLU 34 HG2 GLU 34 25.619 17.386 -10.608 239 HG3 GLU 34 HG3 GLU 34 24.012 16.767 -10.235 240 H GLY 35 H GLY 35 23.133 18.891 -6.070 241 HA2 GLY 35 HA2 GLY 35 24.121 21.394 -5.292 242 HA3 GLY 35 HA3 GLY 35 22.616 21.658 -6.159 243 H GLU 36 H GLU 36 23.742 21.590 -3.188 244 HA GLU 36 HA GLU 36 21.744 19.882 -1.955 245 HB2 GLU 36 HB2 GLU 36 23.630 21.780 -0.561 246 HB3 GLU 36 HB3 GLU 36 22.804 20.387 0.123 247 HG2 GLU 36 HG2 GLU 36 24.141 19.008 -1.574 248 HG3 GLU 36 HG3 GLU 36 25.138 20.450 -1.749 249 H ASP 37 H ASP 37 19.802 20.871 -2.547 250 HA ASP 37 HA ASP 37 19.351 23.617 -1.641 251 HB2 ASP 37 HB2 ASP 37 17.186 23.395 -2.874 252 HB3 ASP 37 HB3 ASP 37 18.609 23.186 -3.890 253 H LYS 38 H LYS 38 17.876 20.392 -1.349 254 HA LYS 38 HA LYS 38 16.546 21.313 1.113 255 HB2 LYS 38 HB2 LYS 38 15.800 19.140 -0.844 256 HB3 LYS 38 HB3 LYS 38 15.036 19.315 0.729 257 HG2 LYS 38 HG2 LYS 38 15.103 21.554 -1.267 258 HG3 LYS 38 HG3 LYS 38 13.837 20.324 -1.269 259 HD2 LYS 38 HD2 LYS 38 12.806 21.797 0.105 260 HD3 LYS 38 HD3 LYS 38 13.804 21.011 1.330 261 HE2 LYS 38 HE2 LYS 38 15.158 22.809 1.572 262 HE3 LYS 38 HE3 LYS 38 15.054 23.250 -0.133 263 HZ1 LYS 38 HZ1 LYS 38 12.723 23.597 1.635 264 HZ2 LYS 38 HZ2 LYS 38 13.098 24.403 0.197 265 HZ3 LYS 38 HZ3 LYS 38 13.952 24.759 1.613 266 H THR 39 H THR 39 17.312 18.066 -0.099 267 HA THR 39 HA THR 39 19.239 17.630 2.021 268 HB THR 39 HB THR 39 17.314 15.452 2.079 269 HG1 THR 39 HG1 THR 39 16.341 17.782 3.316 270 HG21 THR 39 HG21 THR 39 17.454 16.488 4.600 271 HG22 THR 39 HG22 THR 39 18.975 17.044 3.902 272 HG23 THR 39 HG23 THR 39 18.594 15.323 3.927 273 H GLU 40 H GLU 40 19.547 14.967 1.975 274 HA GLU 40 HA GLU 40 20.598 14.518 -0.679 275 HB2 GLU 40 HB2 GLU 40 21.777 12.686 0.248 276 HB3 GLU 40 HB3 GLU 40 21.807 13.945 1.474 277 HG2 GLU 40 HG2 GLU 40 19.763 12.767 2.464 278 HG3 GLU 40 HG3 GLU 40 20.212 11.412 1.429 279 H VAL 41 H VAL 41 19.822 13.169 -2.198 280 HA VAL 41 HA VAL 41 17.207 11.974 -1.726 281 HB VAL 41 HB VAL 41 18.728 11.986 -4.327 282 HG11 VAL 41 HG11 VAL 41 15.995 11.296 -3.454 283 HG12 VAL 41 HG12 VAL 41 16.127 12.186 -4.972 284 HG13 VAL 41 HG13 VAL 41 16.965 10.647 -4.776 285 HG21 VAL 41 HG21 VAL 41 16.884 14.000 -4.539 286 HG22 VAL 41 HG22 VAL 41 17.484 14.209 -2.894 287 HG23 VAL 41 HG23 VAL 41 18.610 14.223 -4.251 288 H CYS 42 H CYS 42 17.134 9.972 -0.957 289 HA CYS 42 HA CYS 42 19.282 8.094 -1.625 290 HB2 CYS 42 HB2 CYS 42 17.109 7.923 0.473 291 HB3 CYS 42 HB3 CYS 42 18.373 6.725 0.224 292 H SER 43 H SER 43 18.897 6.991 -3.434 293 HA SER 43 HA SER 43 16.236 5.773 -3.766 294 HB2 SER 43 HB2 SER 43 16.914 5.939 -6.318 295 HB3 SER 43 HB3 SER 43 16.154 7.300 -5.496 296 HG SER 43 HG SER 43 18.399 7.365 -6.758 297 H CYS 44 H CYS 44 16.342 3.904 -5.387 298 HA CYS 44 HA CYS 44 18.377 2.083 -4.461 299 HB2 CYS 44 HB2 CYS 44 16.176 1.629 -6.486 300 HB3 CYS 44 HB3 CYS 44 17.137 0.384 -5.692 301 H GLN 45 H GLN 45 20.303 1.917 -5.381 302 HA GLN 45 HA GLN 45 20.516 2.346 -8.287 303 HB2 GLN 45 HB2 GLN 45 22.425 3.160 -6.098 304 HB3 GLN 45 HB3 GLN 45 22.879 3.117 -7.796 305 HG2 GLN 45 HG2 GLN 45 20.439 4.633 -7.111 306 HG3 GLN 45 HG3 GLN 45 21.978 5.310 -6.580 307 HE21 GLN 45 HE21 GLN 45 19.817 4.978 -9.131 308 HE22 GLN 45 HE22 GLN 45 20.810 5.620 -10.391 309 H GLN 46 H GLN 46 22.274 1.185 -9.340 310 HA GLN 46 HA GLN 46 22.483 -1.509 -8.307 311 HB2 GLN 46 HB2 GLN 46 22.739 -0.201 -10.896 312 HB3 GLN 46 HB3 GLN 46 24.018 -1.375 -10.617 313 HG2 GLN 46 HG2 GLN 46 22.601 -3.143 -10.647 314 HG3 GLN 46 HG3 GLN 46 21.251 -2.215 -9.997 315 HE21 GLN 46 HE21 GLN 46 19.649 -2.226 -11.393 316 HE22 GLN 46 HE22 GLN 46 19.783 -2.005 -13.102 317 HA PRO 47 HA PRO 47 26.546 -1.348 -6.666 318 HB2 PRO 47 HB2 PRO 47 27.572 -3.742 -7.432 319 HB3 PRO 47 HB3 PRO 47 26.332 -3.584 -6.182 320 HG2 PRO 47 HG2 PRO 47 26.028 -4.314 -9.069 321 HG3 PRO 47 HG3 PRO 47 25.250 -5.030 -7.647 322 HD2 PRO 47 HD2 PRO 47 23.995 -3.246 -9.251 323 HD3 PRO 47 HD3 PRO 47 23.675 -3.353 -7.508 324 H LYS 48 H LYS 48 28.935 -2.028 -7.368 325 HA LYS 48 HA LYS 48 29.429 -1.361 -10.168 326 HB2 LYS 48 HB2 LYS 48 29.430 0.784 -8.926 327 HB3 LYS 48 HB3 LYS 48 30.700 0.157 -7.882 328 HG2 LYS 48 HG2 LYS 48 32.267 0.738 -9.333 329 HG3 LYS 48 HG3 LYS 48 31.449 -0.116 -10.644 330 HD2 LYS 48 HD2 LYS 48 30.280 2.469 -9.789 331 HD3 LYS 48 HD3 LYS 48 31.826 2.535 -10.639 332 HE2 LYS 48 HE2 LYS 48 30.841 2.124 -12.592 333 HE3 LYS 48 HE3 LYS 48 30.029 0.700 -11.941 334 HZ1 LYS 48 HZ1 LYS 48 28.167 1.862 -12.208 335 HZ2 LYS 48 HZ2 LYS 48 28.989 3.323 -12.435 336 HZ3 LYS 48 HZ3 LYS 48 28.645 2.780 -10.870 337 H SER 49 H SER 49 29.997 -3.656 -10.091 338 HA SER 49 HA SER 49 32.825 -3.979 -9.569 339 HB2 SER 49 HB2 SER 49 30.725 -5.557 -8.085 340 HB3 SER 49 HB3 SER 49 32.363 -6.171 -8.320 341 HG SER 49 HG SER 49 32.947 -3.971 -7.403 342 H HIS 50 H HIS 50 33.721 -5.866 -10.576 343 HA HIS 50 HA HIS 50 31.967 -7.380 -12.346 344 HB2 HIS 50 HB2 HIS 50 33.170 -6.865 -14.344 345 HB3 HIS 50 HB3 HIS 50 32.760 -5.330 -13.586 346 HD1 HIS 50 HD1 HIS 50 34.835 -4.343 -12.030 347 HD2 HIS 50 HD2 HIS 50 35.772 -7.038 -15.050 348 HE1 HIS 50 HE1 HIS 50 37.293 -4.037 -12.465 349 H LYS 51 H LYS 51 33.862 -8.665 -13.858 350 HA LYS 51 HA LYS 51 35.276 -10.446 -13.824 351 HB2 LYS 51 HB2 LYS 51 36.449 -8.500 -11.971 352 HB3 LYS 51 HB3 LYS 51 36.948 -10.158 -11.660 353 HG2 LYS 51 HG2 LYS 51 37.183 -9.916 -14.398 354 HG3 LYS 51 HG3 LYS 51 37.721 -8.349 -13.790 355 HD2 LYS 51 HD2 LYS 51 39.051 -9.871 -12.084 356 HD3 LYS 51 HD3 LYS 51 38.889 -11.056 -13.383 357 HE2 LYS 51 HE2 LYS 51 39.657 -8.641 -14.600 358 HE3 LYS 51 HE3 LYS 51 40.675 -8.820 -13.171 359 HZ1 LYS 51 HZ1 LYS 51 41.536 -9.860 -15.269 360 HZ2 LYS 51 HZ2 LYS 51 40.288 -10.994 -15.146 361 HZ3 LYS 51 HZ3 LYS 51 41.460 -10.892 -13.931 362 H ILE 52 H ILE 52 33.743 -12.009 -13.332 363 HA ILE 52 HA ILE 52 34.104 -13.314 -10.795 364 HB ILE 52 HB ILE 52 32.348 -11.630 -10.272 365 HG12 ILE 52 HG12 ILE 52 30.693 -13.318 -9.358 366 HG13 ILE 52 HG13 ILE 52 31.602 -14.558 -10.217 367 HG21 ILE 52 HG21 ILE 52 30.330 -13.132 -11.825 368 HG22 ILE 52 HG22 ILE 52 30.407 -11.418 -11.418 369 HG23 ILE 52 HG23 ILE 52 31.393 -12.057 -12.734 370 HD11 ILE 52 HD11 ILE 52 32.061 -13.569 -7.647 371 HD12 ILE 52 HD12 ILE 52 33.069 -14.684 -8.570 372 HD13 ILE 52 HD13 ILE 52 33.376 -12.949 -8.644 373 H ALA 53 H ALA 53 33.739 -15.472 -10.930 374 HA ALA 53 HA ALA 53 33.212 -17.511 -11.802 375 HB1 ALA 53 HB1 ALA 53 31.050 -17.532 -12.294 376 HB2 ALA 53 HB2 ALA 53 31.077 -15.808 -12.671 377 HB3 ALA 53 HB3 ALA 53 31.451 -16.991 -13.924 378 H GLU 54 H GLU 54 32.755 -15.584 -14.750 379 HA GLU 54 HA GLU 54 33.811 -15.609 -16.764 380 HB2 GLU 54 HB2 GLU 54 35.966 -15.824 -14.774 381 HB3 GLU 54 HB3 GLU 54 36.402 -16.389 -16.381 382 HG2 GLU 54 HG2 GLU 54 35.001 -13.805 -16.279 383 HG3 GLU 54 HG3 GLU 54 36.613 -13.835 -15.566 384 H LYS 55 H LYS 55 32.543 -17.394 -17.463 385 HA LYS 55 HA LYS 55 34.114 -19.864 -17.766 386 HB2 LYS 55 HB2 LYS 55 31.534 -19.524 -16.496 387 HB3 LYS 55 HB3 LYS 55 31.420 -20.624 -17.864 388 HG2 LYS 55 HG2 LYS 55 33.464 -20.911 -15.676 389 HG3 LYS 55 HG3 LYS 55 31.885 -21.698 -15.650 390 HD2 LYS 55 HD2 LYS 55 32.614 -22.527 -18.034 391 HD3 LYS 55 HD3 LYS 55 34.235 -22.202 -17.418 392 HE2 LYS 55 HE2 LYS 55 32.337 -23.780 -15.746 393 HE3 LYS 55 HE3 LYS 55 33.119 -24.562 -17.118 394 HZ1 LYS 55 HZ1 LYS 55 34.802 -23.039 -15.273 395 HZ2 LYS 55 HZ2 LYS 55 35.155 -24.443 -16.148 396 HZ3 LYS 55 HZ3 LYS 55 34.214 -24.536 -14.746 397 H ILE 56 H ILE 56 34.294 -20.579 -19.799 398 HA ILE 56 HA ILE 56 32.285 -19.928 -21.789 399 HB ILE 56 HB ILE 56 34.072 -19.103 -23.385 400 HG12 ILE 56 HG12 ILE 56 35.694 -18.023 -21.211 401 HG13 ILE 56 HG13 ILE 56 35.775 -19.778 -21.306 402 HG21 ILE 56 HG21 ILE 56 32.343 -17.738 -22.000 403 HG22 ILE 56 HG22 ILE 56 33.765 -17.180 -21.121 404 HG23 ILE 56 HG23 ILE 56 33.637 -16.899 -22.857 405 HD11 ILE 56 HD11 ILE 56 36.275 -17.942 -23.632 406 HD12 ILE 56 HD12 ILE 56 37.536 -18.600 -22.590 407 HD13 ILE 56 HD13 ILE 56 36.543 -19.683 -23.563 408 H ILE 57 H ILE 57 31.871 -21.918 -22.508 409 HA ILE 57 HA ILE 57 33.979 -23.892 -22.753 410 HB ILE 57 HB ILE 57 31.053 -24.122 -23.464 411 HG12 ILE 57 HG12 ILE 57 31.668 -25.661 -21.192 412 HG13 ILE 57 HG13 ILE 57 32.423 -24.095 -20.921 413 HG21 ILE 57 HG21 ILE 57 31.759 -26.627 -23.011 414 HG22 ILE 57 HG22 ILE 57 31.962 -25.883 -24.596 415 HG23 ILE 57 HG23 ILE 57 33.339 -26.019 -23.503 416 HD11 ILE 57 HD11 ILE 57 30.336 -22.972 -21.159 417 HD12 ILE 57 HD12 ILE 57 29.540 -24.454 -21.687 418 HD13 ILE 57 HD13 ILE 57 30.115 -24.306 -20.027 419 H ASP 58 H ASP 58 31.636 -22.318 -24.922 420 HA ASP 58 HA ASP 58 33.552 -22.594 -27.110 421 HB2 ASP 58 HB2 ASP 58 31.698 -23.341 -28.637 422 HB3 ASP 58 HB3 ASP 58 32.185 -24.534 -27.437 423 H LYS 59 H LYS 59 33.598 -20.871 -28.441 424 HA LYS 59 HA LYS 59 31.347 -19.073 -28.662 425 HB2 LYS 59 HB2 LYS 59 33.612 -18.505 -26.902 426 HB3 LYS 59 HB3 LYS 59 33.326 -17.239 -28.088 427 HG2 LYS 59 HG2 LYS 59 31.054 -18.316 -26.477 428 HG3 LYS 59 HG3 LYS 59 32.158 -17.130 -25.778 429 HD2 LYS 59 HD2 LYS 59 31.097 -15.491 -26.839 430 HD3 LYS 59 HD3 LYS 59 31.423 -16.263 -28.393 431 HE2 LYS 59 HE2 LYS 59 29.248 -17.460 -26.808 432 HE3 LYS 59 HE3 LYS 59 28.946 -15.826 -27.396 433 HZ1 LYS 59 HZ1 LYS 59 28.666 -16.571 -29.455 434 HZ2 LYS 59 HZ2 LYS 59 28.624 -18.136 -28.814 435 HZ3 LYS 59 HZ3 LYS 59 30.076 -17.505 -29.411 436 H ALA 60 H ALA 60 31.514 -19.721 -30.855 437 HA ALA 60 HA ALA 60 33.114 -17.993 -32.445 438 HB1 ALA 60 HB1 ALA 60 33.873 -20.657 -33.297 439 HB2 ALA 60 HB2 ALA 60 34.875 -19.234 -33.008 440 HB3 ALA 60 HB3 ALA 60 34.442 -20.294 -31.667 441 H LYS 61 H LYS 61 32.821 -18.454 -34.812 442 HA LYS 61 HA LYS 61 31.466 -18.807 -36.605 443 HB2 LYS 61 HB2 LYS 61 31.697 -21.233 -35.481 444 HB3 LYS 61 HB3 LYS 61 29.965 -21.005 -35.287 445 HG2 LYS 61 HG2 LYS 61 30.341 -22.181 -37.324 446 HG3 LYS 61 HG3 LYS 61 29.815 -20.545 -37.728 447 HD2 LYS 61 HD2 LYS 61 32.113 -19.889 -38.165 448 HD3 LYS 61 HD3 LYS 61 32.682 -21.489 -37.683 449 HE2 LYS 61 HE2 LYS 61 32.528 -22.038 -39.840 450 HE3 LYS 61 HE3 LYS 61 30.781 -22.043 -39.599 451 HZ1 LYS 61 HZ1 LYS 61 30.915 -19.578 -40.134 452 HZ2 LYS 61 HZ2 LYS 61 31.129 -20.655 -41.420 453 HZ3 LYS 61 HZ3 LYS 61 32.469 -19.894 -40.724 454 H THR 62 H THR 62 29.211 -18.659 -37.348 455 HA THR 62 HA THR 62 27.013 -18.297 -35.670 456 HB THR 62 HB THR 62 28.011 -16.374 -34.701 457 HG1 THR 62 HG1 THR 62 26.450 -15.145 -36.700 458 HG21 THR 62 HG21 THR 62 29.766 -15.610 -35.929 459 HG22 THR 62 HG22 THR 62 28.558 -14.452 -36.486 460 HG23 THR 62 HG23 THR 62 28.942 -15.867 -37.467 461 H THR 63 H THR 63 26.502 -19.566 -37.641 462 HA THR 63 HA THR 63 25.441 -17.780 -39.716 463 HB THR 63 HB THR 63 27.447 -18.703 -40.697 464 HG1 THR 63 HG1 THR 63 26.033 -18.685 -42.310 465 HG21 THR 63 HG21 THR 63 26.333 -21.459 -40.190 466 HG22 THR 63 HG22 THR 63 27.544 -20.697 -39.160 467 HG23 THR 63 HG23 THR 63 27.912 -21.038 -40.850 468 H LEU 64 H LEU 64 23.386 -18.197 -40.262 469 HA LEU 64 HA LEU 64 22.036 -20.405 -38.944 470 HB2 LEU 64 HB2 LEU 64 21.266 -17.901 -39.256 471 HB3 LEU 64 HB3 LEU 64 20.634 -18.526 -40.778 472 HG LEU 64 HG LEU 64 19.478 -20.300 -39.269 473 HD11 LEU 64 HD11 LEU 64 20.272 -18.174 -37.308 474 HD12 LEU 64 HD12 LEU 64 20.424 -19.926 -37.169 475 HD13 LEU 64 HD13 LEU 64 18.836 -19.169 -37.065 476 HD21 LEU 64 HD21 LEU 64 18.419 -17.501 -39.048 477 HD22 LEU 64 HD22 LEU 64 17.529 -19.009 -39.265 478 HD23 LEU 64 HD23 LEU 64 18.483 -18.347 -40.595 Start of MODEL 7 1 H1 ALA 1 H ALA 1 3.664 -3.940 -11.924 2 HA ALA 1 HA ALA 1 1.497 -5.195 -10.381 3 HB1 ALA 1 HB1 ALA 1 2.436 -6.451 -12.320 4 HB2 ALA 1 HB2 ALA 1 3.976 -6.521 -11.464 5 HB3 ALA 1 HB3 ALA 1 2.551 -7.304 -10.781 6 H LYS 2 H LYS 2 4.907 -4.303 -10.274 7 HA LYS 2 HA LYS 2 4.990 -5.013 -7.424 8 HB2 LYS 2 HB2 LYS 2 7.056 -4.778 -9.562 9 HB3 LYS 2 HB3 LYS 2 7.538 -4.438 -7.905 10 HG2 LYS 2 HG2 LYS 2 8.017 -6.667 -8.048 11 HG3 LYS 2 HG3 LYS 2 6.371 -6.727 -7.413 12 HD2 LYS 2 HD2 LYS 2 5.663 -6.835 -9.894 13 HD3 LYS 2 HD3 LYS 2 7.345 -7.279 -10.195 14 HE2 LYS 2 HE2 LYS 2 7.149 -9.290 -9.111 15 HE3 LYS 2 HE3 LYS 2 5.851 -8.722 -8.063 16 HZ1 LYS 2 HZ1 LYS 2 5.713 -9.899 -10.710 17 HZ2 LYS 2 HZ2 LYS 2 4.669 -8.593 -10.446 18 HZ3 LYS 2 HZ3 LYS 2 4.595 -9.953 -9.441 19 H ALA 3 H ALA 3 4.399 -3.366 -6.169 20 HA ALA 3 HA ALA 3 4.911 -0.623 -6.968 21 HB1 ALA 3 HB1 ALA 3 3.649 -0.055 -4.906 22 HB2 ALA 3 HB2 ALA 3 2.754 -1.089 -6.020 23 HB3 ALA 3 HB3 ALA 3 3.491 -1.780 -4.574 24 H CYS 4 H CYS 4 7.002 -2.681 -6.001 25 HA CYS 4 HA CYS 4 8.032 -1.684 -3.549 26 HB2 CYS 4 HB2 CYS 4 10.039 -2.992 -4.097 27 HB3 CYS 4 HB3 CYS 4 8.572 -3.932 -4.352 28 H THR 5 H THR 5 10.675 -1.205 -3.899 29 HA THR 5 HA THR 5 10.666 1.325 -5.404 30 HB THR 5 HB THR 5 12.472 0.548 -3.107 31 HG1 THR 5 HG1 THR 5 10.368 2.450 -3.028 32 HG21 THR 5 HG21 THR 5 13.258 2.262 -4.840 33 HG22 THR 5 HG22 THR 5 13.284 2.753 -3.145 34 HG23 THR 5 HG23 THR 5 11.986 3.305 -4.204 35 HA PRO 6 HA PRO 6 13.545 -1.295 -7.829 36 HB2 PRO 6 HB2 PRO 6 13.006 -0.061 -10.187 37 HB3 PRO 6 HB3 PRO 6 12.011 -1.369 -9.537 38 HG2 PRO 6 HG2 PRO 6 11.556 1.589 -9.434 39 HG3 PRO 6 HG3 PRO 6 10.398 0.289 -9.774 40 HD2 PRO 6 HD2 PRO 6 10.574 1.488 -7.352 41 HD3 PRO 6 HD3 PRO 6 10.121 -0.218 -7.542 42 H LEU 7 H LEU 7 14.990 -0.254 -9.804 43 HA LEU 7 HA LEU 7 16.847 1.424 -8.482 44 HB2 LEU 7 HB2 LEU 7 17.137 -0.288 -10.440 45 HB3 LEU 7 HB3 LEU 7 16.821 1.122 -11.450 46 HG LEU 7 HG LEU 7 18.771 2.089 -9.841 47 HD11 LEU 7 HD11 LEU 7 19.894 0.493 -8.796 48 HD12 LEU 7 HD12 LEU 7 20.273 -0.245 -10.351 49 HD13 LEU 7 HD13 LEU 7 18.826 -0.737 -9.471 50 HD21 LEU 7 HD21 LEU 7 19.083 2.469 -12.069 51 HD22 LEU 7 HD22 LEU 7 18.730 0.800 -12.520 52 HD23 LEU 7 HD23 LEU 7 20.294 1.212 -11.814 53 H LEU 8 H LEU 8 17.603 3.527 -9.243 54 HA LEU 8 HA LEU 8 17.249 5.739 -9.640 55 HB2 LEU 8 HB2 LEU 8 15.239 4.904 -11.706 56 HB3 LEU 8 HB3 LEU 8 16.274 6.330 -11.697 57 HG LEU 8 HG LEU 8 17.336 3.527 -11.992 58 HD11 LEU 8 HD11 LEU 8 16.549 5.503 -14.126 59 HD12 LEU 8 HD12 LEU 8 15.852 3.908 -13.843 60 HD13 LEU 8 HD13 LEU 8 17.517 4.054 -14.403 61 HD21 LEU 8 HD21 LEU 8 18.964 5.152 -11.238 62 HD22 LEU 8 HD22 LEU 8 18.510 6.251 -12.542 63 HD23 LEU 8 HD23 LEU 8 19.288 4.711 -12.915 64 H HIS 9 H HIS 9 15.525 4.330 -7.717 65 HA HIS 9 HA HIS 9 13.319 6.276 -7.673 66 HB2 HIS 9 HB2 HIS 9 13.153 3.381 -7.720 67 HB3 HIS 9 HB3 HIS 9 12.392 4.040 -6.275 68 HD1 HIS 9 HD1 HIS 9 10.514 5.936 -6.772 69 HD2 HIS 9 HD2 HIS 9 11.615 3.508 -9.959 70 HE1 HIS 9 HE1 HIS 9 8.676 6.183 -8.472 71 H ASP 10 H ASP 10 12.833 7.170 -5.704 72 HA ASP 10 HA ASP 10 14.859 7.290 -3.765 73 HB2 ASP 10 HB2 ASP 10 11.968 7.987 -3.257 74 HB3 ASP 10 HB3 ASP 10 13.402 8.698 -2.522 75 H CYS 11 H CYS 11 15.181 6.278 -1.845 76 HA CYS 11 HA CYS 11 13.205 4.286 -0.979 77 HB2 CYS 11 HB2 CYS 11 14.886 2.606 -0.647 78 HB3 CYS 11 HB3 CYS 11 15.039 3.194 -2.299 79 H SER 12 H SER 12 13.988 6.985 -0.044 80 HA SER 12 HA SER 12 15.556 6.816 2.289 81 HB2 SER 12 HB2 SER 12 15.167 8.977 1.346 82 HB3 SER 12 HB3 SER 12 13.417 8.772 1.435 83 HG SER 12 HG SER 12 15.256 9.319 3.480 84 H HIS 13 H HIS 13 12.271 5.970 1.629 85 HA HIS 13 HA HIS 13 11.253 6.080 4.267 86 HB2 HIS 13 HB2 HIS 13 10.399 4.423 1.887 87 HB3 HIS 13 HB3 HIS 13 9.487 4.542 3.389 88 HD1 HIS 13 HD1 HIS 13 8.278 5.447 0.695 89 HD2 HIS 13 HD2 HIS 13 10.201 7.974 3.375 90 HE1 HIS 13 HE1 HIS 13 7.400 7.750 0.196 91 H ASP 14 H ASP 14 13.112 3.704 2.516 92 HA ASP 14 HA ASP 14 13.780 2.320 4.922 93 HB2 ASP 14 HB2 ASP 14 11.573 1.320 3.293 94 HB3 ASP 14 HB3 ASP 14 12.855 0.129 3.500 95 H ARG 15 H ARG 15 15.848 1.829 4.669 96 HA ARG 15 HA ARG 15 17.169 1.926 2.177 97 HB2 ARG 15 HB2 ARG 15 18.226 0.600 4.672 98 HB3 ARG 15 HB3 ARG 15 19.149 1.334 3.369 99 HG2 ARG 15 HG2 ARG 15 18.124 3.533 4.016 100 HG3 ARG 15 HG3 ARG 15 17.472 2.721 5.441 101 HD2 ARG 15 HD2 ARG 15 20.387 2.948 4.699 102 HD3 ARG 15 HD3 ARG 15 19.562 3.866 5.958 103 HE ARG 15 HE ARG 15 19.171 1.178 6.524 104 HH11 ARG 15 HH11 ARG 15 21.830 3.411 6.274 105 HH12 ARG 15 HH12 ARG 15 22.810 2.578 7.434 106 HH21 ARG 15 HH21 ARG 15 20.451 0.072 8.054 107 HH22 ARG 15 HH22 ARG 15 22.025 0.678 8.446 108 H HIS 16 H HIS 16 15.359 -0.521 3.655 109 HA HIS 16 HA HIS 16 16.611 -2.581 1.962 110 HB2 HIS 16 HB2 HIS 16 15.579 -4.234 3.486 111 HB3 HIS 16 HB3 HIS 16 16.690 -3.157 4.326 112 HD1 HIS 16 HD1 HIS 16 12.947 -3.450 3.715 113 HD2 HIS 16 HD2 HIS 16 15.632 -2.042 6.554 114 HE1 HIS 16 HE1 HIS 16 11.538 -2.707 5.661 115 H SER 17 H SER 17 14.182 -0.481 1.840 116 HA SER 17 HA SER 17 11.965 -2.149 1.147 117 HB2 SER 17 HB2 SER 17 11.254 -0.060 1.856 118 HB3 SER 17 HB3 SER 17 12.551 0.784 1.010 119 HG SER 17 HG SER 17 10.374 -0.523 -0.260 120 H CYS 18 H CYS 18 14.733 -0.978 -0.513 121 HA CYS 18 HA CYS 18 13.901 -0.800 -3.138 122 HB2 CYS 18 HB2 CYS 18 16.486 -1.708 -1.899 123 HB3 CYS 18 HB3 CYS 18 16.277 -1.701 -3.647 124 H CYS 19 H CYS 19 13.491 -2.212 -4.777 125 HA CYS 19 HA CYS 19 12.394 -4.689 -4.257 126 HB2 CYS 19 HB2 CYS 19 13.701 -3.804 -6.840 127 HB3 CYS 19 HB3 CYS 19 12.528 -5.107 -6.667 128 H ARG 20 H ARG 20 13.158 -6.825 -5.128 129 HA ARG 20 HA ARG 20 16.056 -7.167 -4.757 130 HB2 ARG 20 HB2 ARG 20 15.364 -9.436 -3.695 131 HB3 ARG 20 HB3 ARG 20 15.290 -7.975 -2.720 132 HG2 ARG 20 HG2 ARG 20 13.050 -8.052 -2.535 133 HG3 ARG 20 HG3 ARG 20 12.828 -8.643 -4.182 134 HD2 ARG 20 HD2 ARG 20 12.504 -10.690 -3.388 135 HD3 ARG 20 HD3 ARG 20 14.141 -10.681 -2.732 136 HE ARG 20 HE ARG 20 11.686 -10.335 -1.278 137 HH11 ARG 20 HH11 ARG 20 15.110 -9.701 -1.309 138 HH12 ARG 20 HH12 ARG 20 15.229 -9.546 0.412 139 HH21 ARG 20 HH21 ARG 20 11.831 -10.133 0.990 140 HH22 ARG 20 HH22 ARG 20 13.363 -9.792 1.719 141 H GLY 21 H GLY 21 17.010 -8.233 -6.366 142 HA2 GLY 21 HA2 GLY 21 15.402 -9.337 -8.496 143 HA3 GLY 21 HA3 GLY 21 17.154 -9.207 -8.468 144 H ASP 22 H ASP 22 17.482 -11.295 -9.223 145 HA ASP 22 HA ASP 22 16.491 -13.493 -7.553 146 HB2 ASP 22 HB2 ASP 22 16.389 -13.352 -10.193 147 HB3 ASP 22 HB3 ASP 22 18.038 -13.959 -10.066 148 H MET 23 H MET 23 19.497 -12.209 -8.936 149 HA MET 23 HA MET 23 21.084 -14.040 -7.329 150 HB2 MET 23 HB2 MET 23 21.523 -13.150 -9.791 151 HB3 MET 23 HB3 MET 23 22.321 -11.846 -8.924 152 HG2 MET 23 HG2 MET 23 23.473 -13.855 -7.666 153 HG3 MET 23 HG3 MET 23 23.061 -14.709 -9.151 154 HE1 MET 23 HE1 MET 23 23.919 -14.636 -11.095 155 HE2 MET 23 HE2 MET 23 25.009 -13.468 -11.845 156 HE3 MET 23 HE3 MET 23 25.660 -14.763 -10.838 157 H PHE 24 H PHE 24 21.081 -10.505 -7.836 158 HA PHE 24 HA PHE 24 21.632 -10.181 -4.966 159 HB2 PHE 24 HB2 PHE 24 23.673 -9.901 -6.530 160 HB3 PHE 24 HB3 PHE 24 22.908 -8.394 -7.021 161 HD1 PHE 24 HD1 PHE 24 23.559 -10.163 -3.795 162 HD2 PHE 24 HD2 PHE 24 23.779 -6.537 -6.013 163 HE1 PHE 24 HE1 PHE 24 24.548 -9.034 -1.846 164 HE2 PHE 24 HE2 PHE 24 24.769 -5.403 -4.068 165 HZ PHE 24 HZ PHE 24 25.156 -6.651 -1.981 166 H LYS 25 H LYS 25 20.960 -8.165 -4.062 167 HA LYS 25 HA LYS 25 18.692 -7.005 -5.511 168 HB2 LYS 25 HB2 LYS 25 18.078 -6.077 -3.260 169 HB3 LYS 25 HB3 LYS 25 18.087 -7.833 -3.351 170 HG2 LYS 25 HG2 LYS 25 20.613 -6.606 -2.484 171 HG3 LYS 25 HG3 LYS 25 19.248 -6.409 -1.381 172 HD2 LYS 25 HD2 LYS 25 19.820 -9.101 -2.542 173 HD3 LYS 25 HD3 LYS 25 20.811 -8.506 -1.207 174 HE2 LYS 25 HE2 LYS 25 17.842 -8.343 -0.990 175 HE3 LYS 25 HE3 LYS 25 18.627 -9.905 -0.762 176 HZ1 LYS 25 HZ1 LYS 25 18.396 -8.829 1.345 177 HZ2 LYS 25 HZ2 LYS 25 19.141 -7.420 0.778 178 HZ3 LYS 25 HZ3 LYS 25 20.039 -8.844 0.941 179 H TYR 26 H TYR 26 18.323 -4.678 -5.351 180 HA TYR 26 HA TYR 26 20.623 -3.204 -6.096 181 HB2 TYR 26 HB2 TYR 26 17.968 -2.033 -5.265 182 HB3 TYR 26 HB3 TYR 26 19.157 -1.337 -6.360 183 HD1 TYR 26 HD2 TYR 26 19.773 -3.597 -8.125 184 HD2 TYR 26 HD1 TYR 26 16.040 -2.320 -6.532 185 HE1 TYR 26 HE2 TYR 26 18.614 -4.620 -10.038 186 HE2 TYR 26 HE1 TYR 26 14.870 -3.340 -8.440 187 HH TYR 26 HH TYR 26 15.206 -4.134 -10.595 188 H VAL 27 H VAL 27 21.477 -1.299 -5.061 189 HA VAL 27 HA VAL 27 21.314 -1.446 -2.122 190 HB VAL 27 HB VAL 27 23.609 -0.328 -2.211 191 HG11 VAL 27 HG11 VAL 27 23.249 -2.669 -1.572 192 HG12 VAL 27 HG12 VAL 27 23.356 -3.143 -3.268 193 HG13 VAL 27 HG13 VAL 27 24.762 -2.456 -2.453 194 HG21 VAL 27 HG21 VAL 27 24.916 -0.687 -4.237 195 HG22 VAL 27 HG22 VAL 27 23.501 -1.360 -5.045 196 HG23 VAL 27 HG23 VAL 27 23.519 0.338 -4.569 197 H CYS 28 H CYS 28 20.771 0.337 -1.012 198 HA CYS 28 HA CYS 28 19.800 2.623 -2.426 199 HB2 CYS 28 HB2 CYS 28 19.955 1.799 0.446 200 HB3 CYS 28 HB3 CYS 28 19.624 3.484 0.060 201 H ASP 29 H ASP 29 20.964 4.285 -3.101 202 HA ASP 29 HA ASP 29 23.397 5.005 -1.602 203 HB2 ASP 29 HB2 ASP 29 23.167 4.201 -4.321 204 HB3 ASP 29 HB3 ASP 29 23.582 5.913 -4.305 205 H CYS 30 H CYS 30 23.776 7.155 -1.223 206 HA CYS 30 HA CYS 30 21.601 8.990 -1.983 207 HB2 CYS 30 HB2 CYS 30 23.448 9.245 0.396 208 HB3 CYS 30 HB3 CYS 30 22.019 10.215 0.053 209 H PHE 31 H PHE 31 22.077 10.760 -3.127 210 HA PHE 31 HA PHE 31 24.803 11.790 -3.166 211 HB2 PHE 31 HB2 PHE 31 24.410 11.931 -5.796 212 HB3 PHE 31 HB3 PHE 31 25.157 10.526 -5.043 213 HD1 PHE 31 HD2 PHE 31 23.917 8.443 -4.795 214 HD2 PHE 31 HD1 PHE 31 22.210 11.822 -6.743 215 HE1 PHE 31 HE2 PHE 31 22.169 7.002 -5.755 216 HE2 PHE 31 HE1 PHE 31 20.459 10.387 -7.705 217 HZ PHE 31 HZ PHE 31 20.437 7.974 -7.213 218 H TYR 32 H TYR 32 24.811 13.771 -4.788 219 HA TYR 32 HA TYR 32 22.417 15.361 -4.142 220 HB2 TYR 32 HB2 TYR 32 25.161 16.459 -4.748 221 HB3 TYR 32 HB3 TYR 32 23.794 17.304 -4.030 222 HD1 TYR 32 HD2 TYR 32 26.438 14.812 -3.422 223 HD2 TYR 32 HD1 TYR 32 23.329 17.140 -1.686 224 HE1 TYR 32 HE2 TYR 32 27.280 14.253 -1.179 225 HE2 TYR 32 HE1 TYR 32 24.163 16.590 0.561 226 HH TYR 32 HH TYR 32 27.190 15.213 1.112 227 HA PRO 33 HA PRO 33 22.398 14.940 -8.737 228 HB2 PRO 33 HB2 PRO 33 19.696 14.755 -8.923 229 HB3 PRO 33 HB3 PRO 33 20.736 13.360 -8.613 230 HG2 PRO 33 HG2 PRO 33 19.140 15.001 -6.682 231 HG3 PRO 33 HG3 PRO 33 19.332 13.239 -6.763 232 HD2 PRO 33 HD2 PRO 33 20.707 14.776 -5.007 233 HD3 PRO 33 HD3 PRO 33 21.379 13.288 -5.704 234 H GLU 34 H GLU 34 23.072 17.316 -8.009 235 HA GLU 34 HA GLU 34 22.758 19.575 -8.165 236 HB2 GLU 34 HB2 GLU 34 20.994 18.664 -10.446 237 HB3 GLU 34 HB3 GLU 34 21.613 20.295 -10.231 238 HG2 GLU 34 HG2 GLU 34 23.481 17.969 -10.401 239 HG3 GLU 34 HG3 GLU 34 22.809 18.698 -11.858 240 H GLY 35 H GLY 35 20.941 18.177 -6.365 241 HA2 GLY 35 HA2 GLY 35 19.002 20.312 -6.064 242 HA3 GLY 35 HA3 GLY 35 18.310 18.730 -6.389 243 H GLU 36 H GLU 36 20.354 20.536 -4.146 244 HA GLU 36 HA GLU 36 19.921 18.475 -2.109 245 HB2 GLU 36 HB2 GLU 36 21.623 19.812 -0.809 246 HB3 GLU 36 HB3 GLU 36 22.215 19.067 -2.288 247 HG2 GLU 36 HG2 GLU 36 21.205 21.779 -2.662 248 HG3 GLU 36 HG3 GLU 36 22.580 21.671 -1.563 249 H ASP 37 H ASP 37 17.628 19.190 -2.034 250 HA ASP 37 HA ASP 37 16.888 21.746 -1.099 251 HB2 ASP 37 HB2 ASP 37 15.483 19.075 -0.983 252 HB3 ASP 37 HB3 ASP 37 14.741 20.574 -0.435 253 H LYS 38 H LYS 38 16.514 18.734 0.759 254 HA LYS 38 HA LYS 38 17.286 20.240 3.170 255 HB2 LYS 38 HB2 LYS 38 15.178 18.234 2.632 256 HB3 LYS 38 HB3 LYS 38 16.015 18.075 4.171 257 HG2 LYS 38 HG2 LYS 38 15.458 20.764 4.043 258 HG3 LYS 38 HG3 LYS 38 14.033 20.019 3.316 259 HD2 LYS 38 HD2 LYS 38 15.177 19.029 5.910 260 HD3 LYS 38 HD3 LYS 38 14.038 20.375 5.857 261 HE2 LYS 38 HE2 LYS 38 13.542 17.619 4.735 262 HE3 LYS 38 HE3 LYS 38 12.928 18.218 6.275 263 HZ1 LYS 38 HZ1 LYS 38 12.255 19.229 3.569 264 HZ2 LYS 38 HZ2 LYS 38 11.785 19.994 5.002 265 HZ3 LYS 38 HZ3 LYS 38 11.223 18.438 4.650 266 H THR 39 H THR 39 17.679 17.234 1.391 267 HA THR 39 HA THR 39 20.266 16.817 2.583 268 HB THR 39 HB THR 39 19.033 14.282 2.899 269 HG1 THR 39 HG1 THR 39 17.724 16.232 4.492 270 HG21 THR 39 HG21 THR 39 20.987 15.564 4.108 271 HG22 THR 39 HG22 THR 39 20.062 14.326 4.959 272 HG23 THR 39 HG23 THR 39 19.704 16.033 5.222 273 H GLU 40 H GLU 40 21.313 14.806 1.676 274 HA GLU 40 HA GLU 40 21.232 14.842 -1.108 275 HB2 GLU 40 HB2 GLU 40 22.513 12.643 -0.904 276 HB3 GLU 40 HB3 GLU 40 23.215 14.050 -0.121 277 HG2 GLU 40 HG2 GLU 40 21.430 12.409 1.549 278 HG3 GLU 40 HG3 GLU 40 22.946 11.654 1.057 279 H VAL 41 H VAL 41 20.277 13.578 -2.652 280 HA VAL 41 HA VAL 41 17.818 12.301 -1.942 281 HB VAL 41 HB VAL 41 19.224 12.306 -4.616 282 HG11 VAL 41 HG11 VAL 41 16.906 10.961 -3.707 283 HG12 VAL 41 HG12 VAL 41 16.383 12.253 -4.790 284 HG13 VAL 41 HG13 VAL 41 17.547 11.051 -5.347 285 HG21 VAL 41 HG21 VAL 41 17.210 14.223 -3.452 286 HG22 VAL 41 HG22 VAL 41 18.875 14.579 -3.910 287 HG23 VAL 41 HG23 VAL 41 17.686 14.183 -5.149 288 H CYS 42 H CYS 42 17.611 10.289 -1.241 289 HA CYS 42 HA CYS 42 19.729 8.347 -1.816 290 HB2 CYS 42 HB2 CYS 42 17.479 8.263 0.206 291 HB3 CYS 42 HB3 CYS 42 18.709 7.020 0.009 292 H SER 43 H SER 43 19.396 7.168 -3.581 293 HA SER 43 HA SER 43 16.709 6.046 -4.016 294 HB2 SER 43 HB2 SER 43 16.699 6.575 -6.263 295 HB3 SER 43 HB3 SER 43 17.579 7.962 -5.623 296 HG SER 43 HG SER 43 19.505 6.517 -6.050 297 H CYS 44 H CYS 44 16.808 4.135 -5.566 298 HA CYS 44 HA CYS 44 18.768 2.284 -4.545 299 HB2 CYS 44 HB2 CYS 44 16.564 1.879 -6.578 300 HB3 CYS 44 HB3 CYS 44 17.519 0.599 -5.836 301 H GLN 45 H GLN 45 20.661 1.847 -5.448 302 HA GLN 45 HA GLN 45 20.992 2.338 -8.334 303 HB2 GLN 45 HB2 GLN 45 23.055 2.789 -6.170 304 HB3 GLN 45 HB3 GLN 45 23.305 3.026 -7.894 305 HG2 GLN 45 HG2 GLN 45 21.099 4.503 -6.557 306 HG3 GLN 45 HG3 GLN 45 22.760 5.035 -6.302 307 HE21 GLN 45 HE21 GLN 45 20.177 4.682 -8.585 308 HE22 GLN 45 HE22 GLN 45 20.878 5.639 -9.841 309 H GLN 46 H GLN 46 22.373 0.934 -9.466 310 HA GLN 46 HA GLN 46 22.717 -1.665 -8.158 311 HB2 GLN 46 HB2 GLN 46 23.045 -2.479 -10.532 312 HB3 GLN 46 HB3 GLN 46 21.443 -1.859 -10.149 313 HG2 GLN 46 HG2 GLN 46 21.992 0.256 -11.222 314 HG3 GLN 46 HG3 GLN 46 23.610 -0.341 -11.586 315 HE21 GLN 46 HE21 GLN 46 20.189 -1.079 -12.098 316 HE22 GLN 46 HE22 GLN 46 20.387 -1.745 -13.679 317 HA PRO 47 HA PRO 47 27.098 -1.449 -8.094 318 HB2 PRO 47 HB2 PRO 47 27.776 -4.027 -8.609 319 HB3 PRO 47 HB3 PRO 47 27.072 -3.508 -7.073 320 HG2 PRO 47 HG2 PRO 47 25.745 -4.802 -9.425 321 HG3 PRO 47 HG3 PRO 47 25.531 -5.135 -7.696 322 HD2 PRO 47 HD2 PRO 47 23.783 -3.632 -9.117 323 HD3 PRO 47 HD3 PRO 47 24.115 -3.342 -7.397 324 H LYS 48 H LYS 48 29.071 -2.465 -9.419 325 HA LYS 48 HA LYS 48 28.710 -1.501 -12.134 326 HB2 LYS 48 HB2 LYS 48 30.759 -1.255 -10.353 327 HB3 LYS 48 HB3 LYS 48 31.337 -2.585 -11.347 328 HG2 LYS 48 HG2 LYS 48 31.888 -1.208 -12.995 329 HG3 LYS 48 HG3 LYS 48 30.288 -0.460 -12.988 330 HD2 LYS 48 HD2 LYS 48 31.542 1.353 -12.403 331 HD3 LYS 48 HD3 LYS 48 31.252 0.685 -10.795 332 HE2 LYS 48 HE2 LYS 48 33.418 0.241 -10.485 333 HE3 LYS 48 HE3 LYS 48 33.575 -0.491 -12.082 334 HZ1 LYS 48 HZ1 LYS 48 34.486 1.353 -12.889 335 HZ2 LYS 48 HZ2 LYS 48 34.644 1.889 -11.293 336 HZ3 LYS 48 HZ3 LYS 48 33.301 2.352 -12.212 337 H SER 49 H SER 49 30.104 -2.780 -13.825 338 HA SER 49 HA SER 49 29.775 -5.668 -13.506 339 HB2 SER 49 HB2 SER 49 28.675 -4.169 -15.895 340 HB3 SER 49 HB3 SER 49 28.590 -5.907 -15.612 341 HG SER 49 HG SER 49 27.278 -5.476 -13.799 342 H HIS 50 H HIS 50 31.255 -6.878 -14.608 343 HA HIS 50 HA HIS 50 33.194 -5.400 -16.263 344 HB2 HIS 50 HB2 HIS 50 33.711 -7.670 -14.332 345 HB3 HIS 50 HB3 HIS 50 34.915 -7.002 -15.431 346 HD1 HIS 50 HD1 HIS 50 36.433 -5.470 -14.249 347 HD2 HIS 50 HD2 HIS 50 32.583 -5.305 -12.698 348 HE1 HIS 50 HE1 HIS 50 36.528 -3.776 -12.394 349 H LYS 51 H LYS 51 30.823 -6.800 -17.159 350 HA LYS 51 HA LYS 51 32.127 -8.666 -18.994 351 HB2 LYS 51 HB2 LYS 51 30.154 -10.223 -18.752 352 HB3 LYS 51 HB3 LYS 51 31.252 -10.177 -17.379 353 HG2 LYS 51 HG2 LYS 51 29.742 -8.995 -16.056 354 HG3 LYS 51 HG3 LYS 51 28.784 -8.481 -17.446 355 HD2 LYS 51 HD2 LYS 51 27.501 -10.297 -17.319 356 HD3 LYS 51 HD3 LYS 51 28.910 -11.360 -17.284 357 HE2 LYS 51 HE2 LYS 51 29.066 -11.256 -14.944 358 HE3 LYS 51 HE3 LYS 51 28.016 -9.842 -14.853 359 HZ1 LYS 51 HZ1 LYS 51 26.636 -11.550 -14.201 360 HZ2 LYS 51 HZ2 LYS 51 27.288 -12.661 -15.296 361 HZ3 LYS 51 HZ3 LYS 51 26.268 -11.430 -15.848 362 H ILE 52 H ILE 52 31.012 -5.920 -19.133 363 HA ILE 52 HA ILE 52 29.279 -6.378 -21.445 364 HB ILE 52 HB ILE 52 27.842 -4.441 -20.740 365 HG12 ILE 52 HG12 ILE 52 28.927 -4.978 -17.977 366 HG13 ILE 52 HG13 ILE 52 29.538 -3.676 -18.992 367 HG21 ILE 52 HG21 ILE 52 26.741 -6.449 -20.552 368 HG22 ILE 52 HG22 ILE 52 27.878 -7.084 -19.365 369 HG23 ILE 52 HG23 ILE 52 26.683 -5.881 -18.884 370 HD11 ILE 52 HD11 ILE 52 27.936 -2.385 -18.192 371 HD12 ILE 52 HD12 ILE 52 26.750 -3.417 -18.994 372 HD13 ILE 52 HD13 ILE 52 27.218 -3.743 -17.325 373 H ALA 53 H ALA 53 29.334 -4.735 -23.009 374 HA ALA 53 HA ALA 53 30.396 -3.196 -24.313 375 HB1 ALA 53 HB1 ALA 53 31.139 -1.100 -22.969 376 HB2 ALA 53 HB2 ALA 53 29.424 -1.502 -23.079 377 HB3 ALA 53 HB3 ALA 53 30.331 -1.901 -21.621 378 H GLU 54 H GLU 54 32.011 -5.365 -23.394 379 HA GLU 54 HA GLU 54 34.542 -4.467 -22.486 380 HB2 GLU 54 HB2 GLU 54 33.871 -6.783 -22.204 381 HB3 GLU 54 HB3 GLU 54 33.750 -6.991 -23.946 382 HG2 GLU 54 HG2 GLU 54 35.895 -7.506 -24.097 383 HG3 GLU 54 HG3 GLU 54 36.364 -6.040 -23.241 384 H LYS 55 H LYS 55 35.340 -2.808 -23.716 385 HA LYS 55 HA LYS 55 36.673 -3.521 -26.136 386 HB2 LYS 55 HB2 LYS 55 35.541 -1.703 -27.505 387 HB3 LYS 55 HB3 LYS 55 34.610 -3.170 -27.237 388 HG2 LYS 55 HG2 LYS 55 33.284 -2.102 -25.557 389 HG3 LYS 55 HG3 LYS 55 34.306 -0.663 -25.601 390 HD2 LYS 55 HD2 LYS 55 32.652 0.078 -26.968 391 HD3 LYS 55 HD3 LYS 55 33.615 -0.768 -28.182 392 HE2 LYS 55 HE2 LYS 55 32.189 -2.654 -28.134 393 HE3 LYS 55 HE3 LYS 55 31.385 -2.100 -26.665 394 HZ1 LYS 55 HZ1 LYS 55 31.252 -0.331 -28.976 395 HZ2 LYS 55 HZ2 LYS 55 30.081 -0.672 -27.804 396 HZ3 LYS 55 HZ3 LYS 55 30.354 -1.763 -29.070 397 H ILE 56 H ILE 56 38.483 -2.352 -26.288 398 HA ILE 56 HA ILE 56 38.998 -0.281 -24.373 399 HB ILE 56 HB ILE 56 40.737 -1.133 -26.688 400 HG12 ILE 56 HG12 ILE 56 40.677 -2.162 -23.843 401 HG13 ILE 56 HG13 ILE 56 40.157 -3.054 -25.268 402 HG21 ILE 56 HG21 ILE 56 41.447 0.215 -24.086 403 HG22 ILE 56 HG22 ILE 56 42.558 -0.206 -25.389 404 HG23 ILE 56 HG23 ILE 56 41.318 1.021 -25.649 405 HD11 ILE 56 HD11 ILE 56 42.353 -3.772 -24.565 406 HD12 ILE 56 HD12 ILE 56 42.448 -2.969 -26.133 407 HD13 ILE 56 HD13 ILE 56 42.954 -2.117 -24.674 408 H ILE 57 H ILE 57 38.631 1.816 -24.613 409 HA ILE 57 HA ILE 57 37.863 2.858 -27.214 410 HB ILE 57 HB ILE 57 37.942 4.241 -24.530 411 HG12 ILE 57 HG12 ILE 57 35.324 3.755 -25.688 412 HG13 ILE 57 HG13 ILE 57 36.205 2.252 -25.440 413 HG21 ILE 57 HG21 ILE 57 36.433 5.879 -25.664 414 HG22 ILE 57 HG22 ILE 57 38.089 5.870 -26.267 415 HG23 ILE 57 HG23 ILE 57 36.811 5.081 -27.191 416 HD11 ILE 57 HD11 ILE 57 35.798 2.313 -23.269 417 HD12 ILE 57 HD12 ILE 57 36.454 3.945 -23.137 418 HD13 ILE 57 HD13 ILE 57 34.758 3.708 -23.557 419 H ASP 58 H ASP 58 39.115 4.052 -28.498 420 HA ASP 58 HA ASP 58 41.871 4.374 -27.990 421 HB2 ASP 58 HB2 ASP 58 39.982 5.282 -30.113 422 HB3 ASP 58 HB3 ASP 58 41.557 6.065 -30.016 423 H LYS 59 H LYS 59 43.094 6.165 -27.465 424 HA LYS 59 HA LYS 59 42.058 7.959 -25.602 425 HB2 LYS 59 HB2 LYS 59 44.528 8.340 -27.303 426 HB3 LYS 59 HB3 LYS 59 44.184 9.134 -25.771 427 HG2 LYS 59 HG2 LYS 59 44.199 6.901 -24.680 428 HG3 LYS 59 HG3 LYS 59 44.713 6.205 -26.219 429 HD2 LYS 59 HD2 LYS 59 46.756 7.426 -26.181 430 HD3 LYS 59 HD3 LYS 59 46.213 8.413 -24.822 431 HE2 LYS 59 HE2 LYS 59 45.986 6.013 -23.691 432 HE3 LYS 59 HE3 LYS 59 47.242 5.631 -24.869 433 HZ1 LYS 59 HZ1 LYS 59 48.745 6.945 -23.834 434 HZ2 LYS 59 HZ2 LYS 59 47.794 6.585 -22.484 435 HZ3 LYS 59 HZ3 LYS 59 47.593 8.059 -23.289 436 H ALA 60 H ALA 60 43.270 8.831 -28.844 437 HA ALA 60 HA ALA 60 40.985 10.364 -29.523 438 HB1 ALA 60 HB1 ALA 60 41.417 12.233 -28.388 439 HB2 ALA 60 HB2 ALA 60 43.047 11.699 -27.974 440 HB3 ALA 60 HB3 ALA 60 42.744 12.489 -29.521 441 H LYS 61 H LYS 61 41.081 11.193 -31.636 442 HA LYS 61 HA LYS 61 42.576 9.779 -33.479 443 HB2 LYS 61 HB2 LYS 61 40.665 11.883 -33.536 444 HB3 LYS 61 HB3 LYS 61 41.998 12.351 -34.581 445 HG2 LYS 61 HG2 LYS 61 41.778 10.102 -35.687 446 HG3 LYS 61 HG3 LYS 61 40.282 9.893 -34.774 447 HD2 LYS 61 HD2 LYS 61 40.338 12.467 -36.074 448 HD3 LYS 61 HD3 LYS 61 40.598 11.168 -37.241 449 HE2 LYS 61 HE2 LYS 61 38.227 11.670 -37.020 450 HE3 LYS 61 HE3 LYS 61 38.578 10.045 -36.434 451 HZ1 LYS 61 HZ1 LYS 61 37.089 11.170 -34.932 452 HZ2 LYS 61 HZ2 LYS 61 38.168 12.461 -34.757 453 HZ3 LYS 61 HZ3 LYS 61 38.579 10.929 -34.166 454 H THR 62 H THR 62 44.717 9.717 -33.636 455 HA THR 62 HA THR 62 46.503 11.637 -32.683 456 HB THR 62 HB THR 62 47.387 9.999 -34.996 457 HG1 THR 62 HG1 THR 62 46.755 8.792 -32.495 458 HG21 THR 62 HG21 THR 62 48.551 11.302 -32.779 459 HG22 THR 62 HG22 THR 62 49.359 10.345 -34.020 460 HG23 THR 62 HG23 THR 62 48.795 9.573 -32.539 461 H THR 63 H THR 63 47.885 13.105 -33.788 462 HA THR 63 HA THR 63 48.369 14.789 -35.243 463 HB THR 63 HB THR 63 46.848 13.633 -37.507 464 HG1 THR 63 HG1 THR 63 47.897 11.770 -37.551 465 HG21 THR 63 HG21 THR 63 48.829 15.487 -37.244 466 HG22 THR 63 HG22 THR 63 48.464 14.615 -38.733 467 HG23 THR 63 HG23 THR 63 49.751 14.046 -37.671 468 H LEU 64 H LEU 64 47.405 16.583 -36.447 469 HA LEU 64 HA LEU 64 45.868 18.255 -36.591 470 HB2 LEU 64 HB2 LEU 64 44.789 15.973 -37.762 471 HB3 LEU 64 HB3 LEU 64 43.494 16.606 -36.747 472 HG LEU 64 HG LEU 64 43.652 18.763 -37.913 473 HD11 LEU 64 HD11 LEU 64 45.868 17.360 -39.358 474 HD12 LEU 64 HD12 LEU 64 45.848 18.970 -38.636 475 HD13 LEU 64 HD13 LEU 64 44.962 18.662 -40.129 476 HD21 LEU 64 HD21 LEU 64 43.205 17.500 -40.312 477 HD22 LEU 64 HD22 LEU 64 42.007 17.760 -39.043 478 HD23 LEU 64 HD23 LEU 64 42.881 16.230 -39.132 Start of MODEL 8 1 H1 ALA 1 H ALA 1 2.723 -9.296 -10.246 2 HA ALA 1 HA ALA 1 3.126 -6.657 -11.400 3 HB1 ALA 1 HB1 ALA 1 0.619 -7.091 -10.904 4 HB2 ALA 1 HB2 ALA 1 1.092 -6.872 -9.219 5 HB3 ALA 1 HB3 ALA 1 1.352 -5.574 -10.383 6 H LYS 2 H LYS 2 4.521 -5.444 -10.243 7 HA LYS 2 HA LYS 2 5.169 -6.300 -7.505 8 HB2 LYS 2 HB2 LYS 2 7.589 -5.689 -8.109 9 HB3 LYS 2 HB3 LYS 2 6.962 -7.220 -8.703 10 HG2 LYS 2 HG2 LYS 2 6.625 -6.300 -10.893 11 HG3 LYS 2 HG3 LYS 2 7.062 -4.686 -10.325 12 HD2 LYS 2 HD2 LYS 2 9.059 -5.318 -11.234 13 HD3 LYS 2 HD3 LYS 2 9.277 -5.941 -9.596 14 HE2 LYS 2 HE2 LYS 2 8.080 -7.646 -11.750 15 HE3 LYS 2 HE3 LYS 2 9.827 -7.475 -11.600 16 HZ1 LYS 2 HZ1 LYS 2 7.923 -8.725 -9.738 17 HZ2 LYS 2 HZ2 LYS 2 9.377 -8.095 -9.147 18 HZ3 LYS 2 HZ3 LYS 2 9.399 -9.317 -10.317 19 H ALA 3 H ALA 3 4.314 -4.617 -6.406 20 HA ALA 3 HA ALA 3 4.700 -1.893 -7.332 21 HB1 ALA 3 HB1 ALA 3 3.387 -2.774 -4.772 22 HB2 ALA 3 HB2 ALA 3 3.194 -1.240 -5.620 23 HB3 ALA 3 HB3 ALA 3 2.550 -2.723 -6.322 24 H CYS 4 H CYS 4 6.867 -3.773 -6.191 25 HA CYS 4 HA CYS 4 7.751 -2.652 -3.750 26 HB2 CYS 4 HB2 CYS 4 9.890 -3.776 -4.249 27 HB3 CYS 4 HB3 CYS 4 8.514 -4.845 -4.497 28 H THR 5 H THR 5 10.350 -1.947 -4.025 29 HA THR 5 HA THR 5 10.169 0.564 -5.554 30 HB THR 5 HB THR 5 11.966 -0.034 -3.196 31 HG1 THR 5 HG1 THR 5 9.514 0.184 -2.936 32 HG21 THR 5 HG21 THR 5 12.619 1.745 -4.936 33 HG22 THR 5 HG22 THR 5 12.593 2.223 -3.238 34 HG23 THR 5 HG23 THR 5 11.258 2.668 -4.301 35 HA PRO 6 HA PRO 6 13.347 -1.828 -7.845 36 HB2 PRO 6 HB2 PRO 6 12.756 -0.706 -10.246 37 HB3 PRO 6 HB3 PRO 6 11.875 -2.091 -9.590 38 HG2 PRO 6 HG2 PRO 6 11.131 0.809 -9.571 39 HG3 PRO 6 HG3 PRO 6 10.115 -0.605 -9.909 40 HD2 PRO 6 HD2 PRO 6 10.105 0.658 -7.513 41 HD3 PRO 6 HD3 PRO 6 9.827 -1.088 -7.674 42 H LEU 7 H LEU 7 14.677 -0.641 -9.867 43 HA LEU 7 HA LEU 7 16.369 1.199 -8.531 44 HB2 LEU 7 HB2 LEU 7 16.897 -0.462 -10.435 45 HB3 LEU 7 HB3 LEU 7 16.330 0.821 -11.503 46 HG LEU 7 HG LEU 7 18.185 2.071 -9.857 47 HD11 LEU 7 HD11 LEU 7 18.850 -0.779 -10.221 48 HD12 LEU 7 HD12 LEU 7 19.366 0.362 -8.980 49 HD13 LEU 7 HD13 LEU 7 20.140 0.373 -10.565 50 HD21 LEU 7 HD21 LEU 7 17.891 1.288 -12.653 51 HD22 LEU 7 HD22 LEU 7 19.571 1.460 -12.143 52 HD23 LEU 7 HD23 LEU 7 18.448 2.807 -11.952 53 H LEU 8 H LEU 8 16.841 3.383 -9.113 54 HA LEU 8 HA LEU 8 16.327 5.541 -9.618 55 HB2 LEU 8 HB2 LEU 8 14.281 4.504 -11.557 56 HB3 LEU 8 HB3 LEU 8 15.164 6.030 -11.609 57 HG LEU 8 HG LEU 8 16.532 3.370 -11.935 58 HD11 LEU 8 HD11 LEU 8 16.473 4.145 -14.428 59 HD12 LEU 8 HD12 LEU 8 15.016 4.998 -13.922 60 HD13 LEU 8 HD13 LEU 8 15.118 3.247 -13.742 61 HD21 LEU 8 HD21 LEU 8 18.311 4.640 -12.851 62 HD22 LEU 8 HD22 LEU 8 17.830 5.452 -11.360 63 HD23 LEU 8 HD23 LEU 8 17.325 6.102 -12.921 64 H HIS 9 H HIS 9 14.915 4.108 -7.534 65 HA HIS 9 HA HIS 9 12.552 5.841 -7.366 66 HB2 HIS 9 HB2 HIS 9 12.652 2.884 -7.183 67 HB3 HIS 9 HB3 HIS 9 11.654 3.705 -5.987 68 HD1 HIS 9 HD1 HIS 9 9.561 4.976 -6.859 69 HD2 HIS 9 HD2 HIS 9 11.665 2.913 -9.788 70 HE1 HIS 9 HE1 HIS 9 8.036 4.904 -8.858 71 H ASP 10 H ASP 10 12.258 6.812 -5.431 72 HA ASP 10 HA ASP 10 14.319 7.069 -3.612 73 HB2 ASP 10 HB2 ASP 10 12.398 7.834 -2.021 74 HB3 ASP 10 HB3 ASP 10 12.728 8.758 -3.485 75 H CYS 11 H CYS 11 14.754 6.235 -1.569 76 HA CYS 11 HA CYS 11 13.196 3.918 -0.689 77 HB2 CYS 11 HB2 CYS 11 15.406 2.733 -0.220 78 HB3 CYS 11 HB3 CYS 11 14.906 2.825 -1.905 79 H SER 12 H SER 12 13.858 6.783 0.156 80 HA SER 12 HA SER 12 15.416 6.720 2.492 81 HB2 SER 12 HB2 SER 12 14.767 8.806 1.327 82 HB3 SER 12 HB3 SER 12 13.099 8.562 1.846 83 HG SER 12 HG SER 12 14.052 9.928 3.310 84 H HIS 13 H HIS 13 11.940 6.279 1.986 85 HA HIS 13 HA HIS 13 11.163 6.132 4.668 86 HB2 HIS 13 HB2 HIS 13 10.021 5.147 2.091 87 HB3 HIS 13 HB3 HIS 13 9.326 4.552 3.595 88 HD1 HIS 13 HD1 HIS 13 8.023 6.244 5.052 89 HD2 HIS 13 HD2 HIS 13 9.508 7.838 1.514 90 HE1 HIS 13 HE1 HIS 13 6.872 8.462 4.779 91 H ASP 14 H ASP 14 12.625 3.762 2.558 92 HA ASP 14 HA ASP 14 13.352 2.108 4.769 93 HB2 ASP 14 HB2 ASP 14 12.146 0.089 3.458 94 HB3 ASP 14 HB3 ASP 14 11.393 0.953 4.796 95 H ARG 15 H ARG 15 15.435 2.191 4.064 96 HA ARG 15 HA ARG 15 16.272 1.928 1.394 97 HB2 ARG 15 HB2 ARG 15 18.497 1.719 2.262 98 HB3 ARG 15 HB3 ARG 15 17.634 2.877 3.265 99 HG2 ARG 15 HG2 ARG 15 17.219 1.037 4.900 100 HG3 ARG 15 HG3 ARG 15 18.279 0.015 3.927 101 HD2 ARG 15 HD2 ARG 15 20.151 1.077 4.614 102 HD3 ARG 15 HD3 ARG 15 19.363 2.653 4.665 103 HE ARG 15 HE ARG 15 18.829 2.291 6.874 104 HH11 ARG 15 HH11 ARG 15 20.003 -0.657 5.443 105 HH12 ARG 15 HH12 ARG 15 20.132 -1.494 6.954 106 HH21 ARG 15 HH21 ARG 15 18.995 1.201 8.871 107 HH22 ARG 15 HH22 ARG 15 19.558 -0.436 8.904 108 H HIS 16 H HIS 16 15.206 -0.393 3.667 109 HA HIS 16 HA HIS 16 16.432 -2.602 2.182 110 HB2 HIS 16 HB2 HIS 16 16.404 -2.376 4.785 111 HB3 HIS 16 HB3 HIS 16 14.751 -2.966 4.640 112 HD1 HIS 16 HD1 HIS 16 14.723 -5.371 5.174 113 HD2 HIS 16 HD2 HIS 16 18.106 -4.320 3.002 114 HE1 HIS 16 HE1 HIS 16 15.977 -7.518 4.802 115 H SER 17 H SER 17 14.046 -0.849 1.412 116 HA SER 17 HA SER 17 11.981 -2.919 1.188 117 HB2 SER 17 HB2 SER 17 11.120 -0.844 2.030 118 HB3 SER 17 HB3 SER 17 11.906 0.070 0.743 119 HG SER 17 HG SER 17 10.422 -0.605 -0.673 120 H CYS 18 H CYS 18 14.435 -1.384 -0.598 121 HA CYS 18 HA CYS 18 13.481 -1.286 -3.182 122 HB2 CYS 18 HB2 CYS 18 16.212 -2.020 -2.130 123 HB3 CYS 18 HB3 CYS 18 15.878 -1.834 -3.848 124 H CYS 19 H CYS 19 13.275 -2.722 -4.871 125 HA CYS 19 HA CYS 19 12.375 -5.280 -4.367 126 HB2 CYS 19 HB2 CYS 19 13.657 -4.274 -6.918 127 HB3 CYS 19 HB3 CYS 19 12.623 -5.692 -6.778 128 H ARG 20 H ARG 20 13.370 -7.321 -5.367 129 HA ARG 20 HA ARG 20 16.259 -7.432 -4.835 130 HB2 ARG 20 HB2 ARG 20 15.891 -9.659 -3.755 131 HB3 ARG 20 HB3 ARG 20 15.233 -8.303 -2.851 132 HG2 ARG 20 HG2 ARG 20 13.001 -8.813 -3.719 133 HG3 ARG 20 HG3 ARG 20 13.670 -10.186 -4.603 134 HD2 ARG 20 HD2 ARG 20 12.604 -10.843 -2.477 135 HD3 ARG 20 HD3 ARG 20 14.318 -11.252 -2.539 136 HE ARG 20 HE ARG 20 13.975 -8.725 -1.331 137 HH11 ARG 20 HH11 ARG 20 13.497 -12.119 -0.721 138 HH12 ARG 20 HH12 ARG 20 13.668 -11.969 0.996 139 HH21 ARG 20 HH21 ARG 20 14.202 -8.514 0.929 140 HH22 ARG 20 HH22 ARG 20 14.069 -9.917 1.934 141 H GLY 21 H GLY 21 17.294 -9.399 -5.742 142 HA2 GLY 21 HA2 GLY 21 15.823 -10.551 -8.011 143 HA3 GLY 21 HA3 GLY 21 17.358 -9.750 -8.311 144 H ASP 22 H ASP 22 17.723 -12.001 -9.213 145 HA ASP 22 HA ASP 22 18.344 -13.995 -7.180 146 HB2 ASP 22 HB2 ASP 22 17.267 -14.949 -9.049 147 HB3 ASP 22 HB3 ASP 22 18.259 -14.044 -10.188 148 H MET 23 H MET 23 19.936 -11.779 -9.351 149 HA MET 23 HA MET 23 22.558 -12.916 -8.804 150 HB2 MET 23 HB2 MET 23 21.839 -10.457 -10.409 151 HB3 MET 23 HB3 MET 23 23.400 -11.266 -10.377 152 HG2 MET 23 HG2 MET 23 22.395 -13.249 -11.384 153 HG3 MET 23 HG3 MET 23 20.831 -12.439 -11.415 154 HE1 MET 23 HE1 MET 23 24.260 -12.914 -12.844 155 HE2 MET 23 HE2 MET 23 24.410 -11.760 -14.169 156 HE3 MET 23 HE3 MET 23 24.585 -11.215 -12.500 157 H PHE 24 H PHE 24 21.301 -9.578 -8.694 158 HA PHE 24 HA PHE 24 22.523 -9.249 -6.053 159 HB2 PHE 24 HB2 PHE 24 22.916 -7.201 -8.235 160 HB3 PHE 24 HB3 PHE 24 23.681 -7.251 -6.650 161 HD1 PHE 24 HD1 PHE 24 23.644 -8.682 -10.019 162 HD2 PHE 24 HD2 PHE 24 25.560 -8.684 -6.218 163 HE1 PHE 24 HE1 PHE 24 25.544 -9.912 -10.982 164 HE2 PHE 24 HE2 PHE 24 27.464 -9.913 -7.176 165 HZ PHE 24 HZ PHE 24 27.459 -10.529 -9.561 166 H LYS 25 H LYS 25 21.606 -7.609 -4.779 167 HA LYS 25 HA LYS 25 18.924 -6.813 -5.654 168 HB2 LYS 25 HB2 LYS 25 18.466 -6.414 -3.281 169 HB3 LYS 25 HB3 LYS 25 19.067 -8.046 -3.544 170 HG2 LYS 25 HG2 LYS 25 21.090 -6.002 -2.887 171 HG3 LYS 25 HG3 LYS 25 19.961 -6.437 -1.603 172 HD2 LYS 25 HD2 LYS 25 20.595 -8.890 -2.477 173 HD3 LYS 25 HD3 LYS 25 22.085 -8.041 -2.895 174 HE2 LYS 25 HE2 LYS 25 20.814 -7.914 -0.169 175 HE3 LYS 25 HE3 LYS 25 22.033 -9.108 -0.612 176 HZ1 LYS 25 HZ1 LYS 25 23.400 -7.525 0.192 177 HZ2 LYS 25 HZ2 LYS 25 22.324 -6.257 -0.111 178 HZ3 LYS 25 HZ3 LYS 25 23.260 -6.891 -1.369 179 H TYR 26 H TYR 26 18.184 -4.680 -5.453 180 HA TYR 26 HA TYR 26 20.092 -2.682 -6.075 181 HB2 TYR 26 HB2 TYR 26 17.193 -2.378 -5.268 182 HB3 TYR 26 HB3 TYR 26 18.183 -1.129 -6.013 183 HD1 TYR 26 HD2 TYR 26 19.597 -2.705 -8.087 184 HD2 TYR 26 HD1 TYR 26 15.526 -2.788 -6.854 185 HE1 TYR 26 HE2 TYR 26 18.945 -3.512 -10.317 186 HE2 TYR 26 HE1 TYR 26 14.863 -3.597 -9.080 187 HH TYR 26 HH TYR 26 16.716 -4.986 -11.160 188 H VAL 27 H VAL 27 21.092 -1.194 -4.843 189 HA VAL 27 HA VAL 27 20.592 -1.297 -1.945 190 HB VAL 27 HB VAL 27 22.882 -0.233 -1.777 191 HG11 VAL 27 HG11 VAL 27 22.143 -2.823 -1.813 192 HG12 VAL 27 HG12 VAL 27 23.330 -2.817 -3.119 193 HG13 VAL 27 HG13 VAL 27 23.792 -2.279 -1.504 194 HG21 VAL 27 HG21 VAL 27 23.096 -1.108 -4.655 195 HG22 VAL 27 HG22 VAL 27 22.956 0.568 -4.122 196 HG23 VAL 27 HG23 VAL 27 24.370 -0.386 -3.671 197 H CYS 28 H CYS 28 20.316 0.571 -0.761 198 HA CYS 28 HA CYS 28 19.198 2.798 -2.159 199 HB2 CYS 28 HB2 CYS 28 18.597 1.852 0.191 200 HB3 CYS 28 HB3 CYS 28 19.928 2.857 0.753 201 H ASP 29 H ASP 29 20.388 4.275 -3.156 202 HA ASP 29 HA ASP 29 22.928 5.106 -1.912 203 HB2 ASP 29 HB2 ASP 29 22.591 4.034 -4.420 204 HB3 ASP 29 HB3 ASP 29 22.579 5.766 -4.750 205 H CYS 30 H CYS 30 23.273 7.231 -1.525 206 HA CYS 30 HA CYS 30 21.065 9.064 -2.178 207 HB2 CYS 30 HB2 CYS 30 23.132 9.321 0.017 208 HB3 CYS 30 HB3 CYS 30 21.749 10.378 -0.244 209 H PHE 31 H PHE 31 21.468 11.032 -3.117 210 HA PHE 31 HA PHE 31 24.224 11.803 -3.675 211 HB2 PHE 31 HB2 PHE 31 23.496 12.224 -6.115 212 HB3 PHE 31 HB3 PHE 31 23.877 10.573 -5.638 213 HD1 PHE 31 HD2 PHE 31 22.063 8.944 -5.267 214 HD2 PHE 31 HD1 PHE 31 21.308 12.846 -6.791 215 HE1 PHE 31 HE2 PHE 31 19.849 8.208 -6.046 216 HE2 PHE 31 HE1 PHE 31 19.091 12.116 -7.571 217 HZ PHE 31 HZ PHE 31 18.359 9.794 -7.200 218 H TYR 32 H TYR 32 24.254 13.973 -4.859 219 HA TYR 32 HA TYR 32 22.142 15.672 -3.709 220 HB2 TYR 32 HB2 TYR 32 24.868 16.641 -4.541 221 HB3 TYR 32 HB3 TYR 32 23.723 17.402 -3.441 222 HD1 TYR 32 HD2 TYR 32 26.272 14.790 -3.799 223 HD2 TYR 32 HD1 TYR 32 23.556 16.692 -1.132 224 HE1 TYR 32 HE2 TYR 32 27.417 13.739 -1.893 225 HE2 TYR 32 HE1 TYR 32 24.694 15.647 0.782 226 HH TYR 32 HH TYR 32 26.133 13.526 1.134 227 HA PRO 33 HA PRO 33 21.502 15.965 -8.260 228 HB2 PRO 33 HB2 PRO 33 18.801 16.168 -8.078 229 HB3 PRO 33 HB3 PRO 33 19.649 14.617 -8.097 230 HG2 PRO 33 HG2 PRO 33 18.571 16.157 -5.768 231 HG3 PRO 33 HG3 PRO 33 18.483 14.416 -6.095 232 HD2 PRO 33 HD2 PRO 33 20.281 15.486 -4.377 233 HD3 PRO 33 HD3 PRO 33 20.629 14.039 -5.344 234 H GLU 34 H GLU 34 22.621 18.091 -7.522 235 HA GLU 34 HA GLU 34 22.690 20.359 -7.674 236 HB2 GLU 34 HB2 GLU 34 21.098 19.716 -9.655 237 HB3 GLU 34 HB3 GLU 34 19.856 20.433 -8.638 238 HG2 GLU 34 HG2 GLU 34 21.230 22.506 -8.540 239 HG3 GLU 34 HG3 GLU 34 22.322 21.776 -9.714 240 H GLY 35 H GLY 35 21.624 18.988 -5.284 241 HA2 GLY 35 HA2 GLY 35 20.403 21.356 -4.056 242 HA3 GLY 35 HA3 GLY 35 19.569 19.817 -3.899 243 H GLU 36 H GLU 36 23.060 20.163 -3.880 244 HA GLU 36 HA GLU 36 23.403 18.639 -1.559 245 HB2 GLU 36 HB2 GLU 36 25.726 19.321 -1.631 246 HB3 GLU 36 HB3 GLU 36 25.158 18.996 -3.263 247 HG2 GLU 36 HG2 GLU 36 25.077 21.280 -3.804 248 HG3 GLU 36 HG3 GLU 36 25.220 21.767 -2.116 249 H ASP 37 H ASP 37 22.641 21.964 -1.977 250 HA ASP 37 HA ASP 37 23.390 22.627 0.770 251 HB2 ASP 37 HB2 ASP 37 23.789 24.133 -1.322 252 HB3 ASP 37 HB3 ASP 37 22.088 24.546 -1.133 253 H LYS 38 H LYS 38 20.703 21.609 -1.033 254 HA LYS 38 HA LYS 38 18.794 22.692 0.909 255 HB2 LYS 38 HB2 LYS 38 18.529 21.528 -1.843 256 HB3 LYS 38 HB3 LYS 38 17.137 21.576 -0.769 257 HG2 LYS 38 HG2 LYS 38 17.869 24.107 -0.528 258 HG3 LYS 38 HG3 LYS 38 18.578 23.791 -2.114 259 HD2 LYS 38 HD2 LYS 38 15.761 22.961 -1.571 260 HD3 LYS 38 HD3 LYS 38 16.115 24.657 -1.910 261 HE2 LYS 38 HE2 LYS 38 17.254 23.944 -3.997 262 HE3 LYS 38 HE3 LYS 38 16.748 22.288 -3.668 263 HZ1 LYS 38 HZ1 LYS 38 14.838 24.539 -3.926 264 HZ2 LYS 38 HZ2 LYS 38 14.489 22.885 -3.909 265 HZ3 LYS 38 HZ3 LYS 38 15.295 23.565 -5.231 266 H THR 39 H THR 39 18.963 19.606 -0.860 267 HA THR 39 HA THR 39 19.112 18.076 1.574 268 HB THR 39 HB THR 39 16.817 17.000 0.279 269 HG1 THR 39 HG1 THR 39 15.491 18.679 0.077 270 HG21 THR 39 HG21 THR 39 17.736 17.166 2.788 271 HG22 THR 39 HG22 THR 39 16.046 16.828 2.414 272 HG23 THR 39 HG23 THR 39 16.544 18.464 2.841 273 H GLU 40 H GLU 40 19.118 15.719 1.135 274 HA GLU 40 HA GLU 40 20.271 15.200 -1.519 275 HB2 GLU 40 HB2 GLU 40 20.569 13.439 0.906 276 HB3 GLU 40 HB3 GLU 40 21.551 13.456 -0.552 277 HG2 GLU 40 HG2 GLU 40 22.923 14.513 0.948 278 HG3 GLU 40 HG3 GLU 40 22.124 15.880 0.175 279 H VAL 41 H VAL 41 19.658 13.386 -2.707 280 HA VAL 41 HA VAL 41 17.051 12.259 -1.938 281 HB VAL 41 HB VAL 41 18.307 12.437 -4.681 282 HG11 VAL 41 HG11 VAL 41 16.930 10.689 -5.046 283 HG12 VAL 41 HG12 VAL 41 15.940 11.034 -3.627 284 HG13 VAL 41 HG13 VAL 41 15.692 11.943 -5.118 285 HG21 VAL 41 HG21 VAL 41 16.146 14.047 -3.339 286 HG22 VAL 41 HG22 VAL 41 17.671 14.626 -4.010 287 HG23 VAL 41 HG23 VAL 41 16.402 14.037 -5.084 288 H CYS 42 H CYS 42 16.910 10.172 -1.448 289 HA CYS 42 HA CYS 42 19.184 8.427 -2.124 290 HB2 CYS 42 HB2 CYS 42 17.175 8.145 0.122 291 HB3 CYS 42 HB3 CYS 42 18.530 7.064 -0.189 292 H SER 43 H SER 43 18.762 7.160 -3.801 293 HA SER 43 HA SER 43 16.100 5.911 -3.977 294 HB2 SER 43 HB2 SER 43 15.985 6.243 -6.291 295 HB3 SER 43 HB3 SER 43 16.669 7.762 -5.711 296 HG SER 43 HG SER 43 17.821 6.922 -7.506 297 H CYS 44 H CYS 44 16.188 3.958 -5.524 298 HA CYS 44 HA CYS 44 18.222 2.185 -4.514 299 HB2 CYS 44 HB2 CYS 44 15.999 1.662 -6.500 300 HB3 CYS 44 HB3 CYS 44 16.986 0.436 -5.711 301 H GLN 45 H GLN 45 20.089 1.723 -5.462 302 HA GLN 45 HA GLN 45 20.330 2.082 -8.370 303 HB2 GLN 45 HB2 GLN 45 22.261 3.016 -6.247 304 HB3 GLN 45 HB3 GLN 45 22.679 2.899 -7.950 305 HG2 GLN 45 HG2 GLN 45 20.235 4.418 -7.360 306 HG3 GLN 45 HG3 GLN 45 21.734 5.125 -6.758 307 HE21 GLN 45 HE21 GLN 45 19.691 4.876 -9.365 308 HE22 GLN 45 HE22 GLN 45 20.750 5.458 -10.599 309 H GLN 46 H GLN 46 22.272 0.950 -9.267 310 HA GLN 46 HA GLN 46 22.359 -1.733 -8.194 311 HB2 GLN 46 HB2 GLN 46 22.860 -0.460 -10.751 312 HB3 GLN 46 HB3 GLN 46 24.145 -1.586 -10.335 313 HG2 GLN 46 HG2 GLN 46 22.829 -3.389 -10.583 314 HG3 GLN 46 HG3 GLN 46 21.412 -2.580 -9.914 315 HE21 GLN 46 HE21 GLN 46 19.853 -2.066 -11.274 316 HE22 GLN 46 HE22 GLN 46 20.000 -1.960 -12.992 317 HA PRO 47 HA PRO 47 26.222 -1.578 -6.122 318 HB2 PRO 47 HB2 PRO 47 27.306 -3.986 -6.749 319 HB3 PRO 47 HB3 PRO 47 25.940 -3.806 -5.641 320 HG2 PRO 47 HG2 PRO 47 25.943 -4.567 -8.537 321 HG3 PRO 47 HG3 PRO 47 25.010 -5.261 -7.199 322 HD2 PRO 47 HD2 PRO 47 23.949 -3.488 -8.948 323 HD3 PRO 47 HD3 PRO 47 23.442 -3.573 -7.249 324 H LYS 48 H LYS 48 28.668 -2.284 -6.558 325 HA LYS 48 HA LYS 48 29.491 -0.725 -8.852 326 HB2 LYS 48 HB2 LYS 48 30.688 -1.622 -6.339 327 HB3 LYS 48 HB3 LYS 48 31.795 -1.721 -7.702 328 HG2 LYS 48 HG2 LYS 48 32.069 0.485 -7.768 329 HG3 LYS 48 HG3 LYS 48 30.334 0.787 -7.644 330 HD2 LYS 48 HD2 LYS 48 30.408 0.574 -5.255 331 HD3 LYS 48 HD3 LYS 48 32.092 0.046 -5.307 332 HE2 LYS 48 HE2 LYS 48 32.858 2.145 -5.443 333 HE3 LYS 48 HE3 LYS 48 31.636 2.609 -6.626 334 HZ1 LYS 48 HZ1 LYS 48 31.504 2.708 -3.691 335 HZ2 LYS 48 HZ2 LYS 48 30.075 2.549 -4.582 336 HZ3 LYS 48 HZ3 LYS 48 31.077 3.891 -4.822 337 H SER 49 H SER 49 30.127 -1.510 -10.751 338 HA SER 49 HA SER 49 31.134 -4.251 -10.924 339 HB2 SER 49 HB2 SER 49 29.491 -3.860 -13.207 340 HB3 SER 49 HB3 SER 49 29.288 -5.040 -11.913 341 HG SER 49 HG SER 49 27.916 -3.702 -10.885 342 H HIS 50 H HIS 50 33.043 -4.114 -11.882 343 HA HIS 50 HA HIS 50 33.324 -2.512 -14.305 344 HB2 HIS 50 HB2 HIS 50 34.708 -1.995 -11.738 345 HB3 HIS 50 HB3 HIS 50 35.713 -1.943 -13.182 346 HD1 HIS 50 HD1 HIS 50 34.684 0.487 -11.258 347 HD2 HIS 50 HD2 HIS 50 33.447 -0.434 -15.116 348 HE1 HIS 50 HE1 HIS 50 33.762 2.629 -12.198 349 H LYS 51 H LYS 51 35.545 -4.235 -12.115 350 HA LYS 51 HA LYS 51 35.821 -6.507 -13.779 351 HB2 LYS 51 HB2 LYS 51 36.988 -5.070 -15.300 352 HB3 LYS 51 HB3 LYS 51 37.948 -4.376 -13.998 353 HG2 LYS 51 HG2 LYS 51 39.329 -6.202 -13.855 354 HG3 LYS 51 HG3 LYS 51 38.121 -7.303 -14.522 355 HD2 LYS 51 HD2 LYS 51 38.562 -5.503 -16.571 356 HD3 LYS 51 HD3 LYS 51 40.167 -5.736 -15.874 357 HE2 LYS 51 HE2 LYS 51 39.770 -8.207 -16.032 358 HE3 LYS 51 HE3 LYS 51 38.299 -7.850 -16.935 359 HZ1 LYS 51 HZ1 LYS 51 41.071 -7.687 -17.772 360 HZ2 LYS 51 HZ2 LYS 51 40.086 -6.414 -18.290 361 HZ3 LYS 51 HZ3 LYS 51 39.682 -8.009 -18.682 362 H ILE 52 H ILE 52 38.331 -4.686 -12.045 363 HA ILE 52 HA ILE 52 39.657 -5.255 -10.280 364 HB ILE 52 HB ILE 52 37.119 -6.512 -9.233 365 HG12 ILE 52 HG12 ILE 52 36.772 -4.173 -9.889 366 HG13 ILE 52 HG13 ILE 52 36.728 -4.348 -8.138 367 HG21 ILE 52 HG21 ILE 52 39.779 -6.243 -8.151 368 HG22 ILE 52 HG22 ILE 52 38.594 -5.413 -7.143 369 HG23 ILE 52 HG23 ILE 52 38.390 -7.125 -7.516 370 HD11 ILE 52 HD11 ILE 52 39.383 -3.788 -8.721 371 HD12 ILE 52 HD12 ILE 52 38.450 -2.734 -9.784 372 HD13 ILE 52 HD13 ILE 52 38.184 -2.687 -8.042 373 H ALA 53 H ALA 53 40.944 -6.717 -11.508 374 HA ALA 53 HA ALA 53 42.078 -8.682 -11.739 375 HB1 ALA 53 HB1 ALA 53 42.264 -9.631 -9.743 376 HB2 ALA 53 HB2 ALA 53 40.716 -8.954 -9.232 377 HB3 ALA 53 HB3 ALA 53 40.768 -10.510 -10.061 378 H GLU 54 H GLU 54 38.909 -10.040 -10.889 379 HA GLU 54 HA GLU 54 37.443 -11.336 -12.049 380 HB2 GLU 54 HB2 GLU 54 38.384 -9.354 -13.962 381 HB3 GLU 54 HB3 GLU 54 37.905 -10.854 -14.744 382 HG2 GLU 54 HG2 GLU 54 36.057 -9.780 -12.709 383 HG3 GLU 54 HG3 GLU 54 36.206 -8.866 -14.210 384 H LYS 55 H LYS 55 38.250 -13.345 -11.604 385 HA LYS 55 HA LYS 55 40.232 -14.451 -13.476 386 HB2 LYS 55 HB2 LYS 55 40.635 -16.176 -11.773 387 HB3 LYS 55 HB3 LYS 55 40.903 -14.560 -11.133 388 HG2 LYS 55 HG2 LYS 55 39.167 -14.694 -9.688 389 HG3 LYS 55 HG3 LYS 55 38.203 -15.708 -10.764 390 HD2 LYS 55 HD2 LYS 55 38.753 -17.418 -9.440 391 HD3 LYS 55 HD3 LYS 55 40.378 -17.297 -10.120 392 HE2 LYS 55 HE2 LYS 55 41.072 -15.848 -8.327 393 HE3 LYS 55 HE3 LYS 55 39.428 -15.779 -7.695 394 HZ1 LYS 55 HZ1 LYS 55 39.544 -18.132 -7.203 395 HZ2 LYS 55 HZ2 LYS 55 40.816 -17.318 -6.442 396 HZ3 LYS 55 HZ3 LYS 55 41.109 -18.224 -7.840 397 H ILE 56 H ILE 56 39.872 -17.059 -13.408 398 HA ILE 56 HA ILE 56 37.062 -17.492 -14.185 399 HB ILE 56 HB ILE 56 37.969 -19.200 -15.815 400 HG12 ILE 56 HG12 ILE 56 40.547 -17.708 -15.283 401 HG13 ILE 56 HG13 ILE 56 40.224 -19.384 -14.851 402 HG21 ILE 56 HG21 ILE 56 38.723 -16.323 -16.314 403 HG22 ILE 56 HG22 ILE 56 38.410 -17.551 -17.539 404 HG23 ILE 56 HG23 ILE 56 37.104 -17.000 -16.490 405 HD11 ILE 56 HD11 ILE 56 40.667 -18.182 -17.546 406 HD12 ILE 56 HD12 ILE 56 41.452 -19.571 -16.794 407 HD13 ILE 56 HD13 ILE 56 39.792 -19.703 -17.373 408 H ILE 57 H ILE 57 36.470 -19.858 -14.213 409 HA ILE 57 HA ILE 57 36.266 -21.890 -13.196 410 HB ILE 57 HB ILE 57 38.965 -21.452 -11.930 411 HG12 ILE 57 HG12 ILE 57 38.340 -22.572 -14.671 412 HG13 ILE 57 HG13 ILE 57 39.156 -21.048 -14.342 413 HG21 ILE 57 HG21 ILE 57 37.082 -23.517 -11.767 414 HG22 ILE 57 HG22 ILE 57 38.370 -24.122 -12.809 415 HG23 ILE 57 HG23 ILE 57 38.748 -23.535 -11.189 416 HD11 ILE 57 HD11 ILE 57 41.001 -22.266 -13.305 417 HD12 ILE 57 HD12 ILE 57 40.183 -23.790 -13.653 418 HD13 ILE 57 HD13 ILE 57 40.740 -22.766 -14.976 419 H ASP 58 H ASP 58 38.223 -20.093 -10.821 420 HA ASP 58 HA ASP 58 37.763 -19.362 -8.712 421 HB2 ASP 58 HB2 ASP 58 35.248 -19.172 -10.082 422 HB3 ASP 58 HB3 ASP 58 34.967 -19.706 -8.427 423 H LYS 59 H LYS 59 35.091 -21.673 -9.080 424 HA LYS 59 HA LYS 59 34.575 -23.597 -7.982 425 HB2 LYS 59 HB2 LYS 59 37.475 -23.696 -8.374 426 HB3 LYS 59 HB3 LYS 59 36.925 -24.663 -7.011 427 HG2 LYS 59 HG2 LYS 59 35.238 -25.071 -9.311 428 HG3 LYS 59 HG3 LYS 59 36.931 -25.384 -9.696 429 HD2 LYS 59 HD2 LYS 59 37.101 -26.944 -7.858 430 HD3 LYS 59 HD3 LYS 59 35.457 -26.561 -7.340 431 HE2 LYS 59 HE2 LYS 59 35.008 -27.267 -9.905 432 HE3 LYS 59 HE3 LYS 59 36.409 -28.275 -9.543 433 HZ1 LYS 59 HZ1 LYS 59 33.720 -28.620 -8.741 434 HZ2 LYS 59 HZ2 LYS 59 34.706 -28.491 -7.372 435 HZ3 LYS 59 HZ3 LYS 59 35.031 -29.670 -8.542 436 H ALA 60 H ALA 60 34.809 -24.749 -5.802 437 HA ALA 60 HA ALA 60 35.862 -23.305 -3.588 438 HB1 ALA 60 HB1 ALA 60 34.074 -21.786 -3.879 439 HB2 ALA 60 HB2 ALA 60 32.911 -23.087 -4.128 440 HB3 ALA 60 HB3 ALA 60 33.618 -22.830 -2.532 441 H LYS 61 H LYS 61 33.328 -25.581 -4.601 442 HA LYS 61 HA LYS 61 32.755 -27.654 -3.862 443 HB2 LYS 61 HB2 LYS 61 35.546 -27.573 -3.857 444 HB3 LYS 61 HB3 LYS 61 35.123 -28.249 -2.290 445 HG2 LYS 61 HG2 LYS 61 34.414 -30.183 -3.172 446 HG3 LYS 61 HG3 LYS 61 33.646 -29.390 -4.550 447 HD2 LYS 61 HD2 LYS 61 35.329 -30.358 -5.702 448 HD3 LYS 61 HD3 LYS 61 36.243 -28.958 -5.136 449 HE2 LYS 61 HE2 LYS 61 37.124 -30.226 -3.286 450 HE3 LYS 61 HE3 LYS 61 36.107 -31.606 -3.699 451 HZ1 LYS 61 HZ1 LYS 61 38.653 -31.272 -4.507 452 HZ2 LYS 61 HZ2 LYS 61 37.800 -30.702 -5.850 453 HZ3 LYS 61 HZ3 LYS 61 37.523 -32.268 -5.276 454 H THR 62 H THR 62 33.059 -29.080 -1.620 455 HA THR 62 HA THR 62 32.688 -27.349 0.692 456 HB THR 62 HB THR 62 30.431 -27.425 -0.117 457 HG1 THR 62 HG1 THR 62 30.420 -29.447 1.853 458 HG21 THR 62 HG21 THR 62 30.939 -30.375 -0.403 459 HG22 THR 62 HG22 THR 62 30.371 -29.231 -1.619 460 HG23 THR 62 HG23 THR 62 29.305 -29.720 -0.302 461 H THR 63 H THR 63 32.580 -28.556 2.718 462 HA THR 63 HA THR 63 33.600 -31.305 2.532 463 HB THR 63 HB THR 63 35.511 -29.743 2.887 464 HG1 THR 63 HG1 THR 63 35.651 -31.859 3.708 465 HG21 THR 63 HG21 THR 63 35.424 -28.092 4.381 466 HG22 THR 63 HG22 THR 63 35.043 -29.228 5.675 467 HG23 THR 63 HG23 THR 63 33.746 -28.529 4.706 468 H LEU 64 H LEU 64 33.659 -32.306 4.824 469 HA LEU 64 HA LEU 64 31.212 -31.497 6.253 470 HB2 LEU 64 HB2 LEU 64 30.727 -33.548 5.214 471 HB3 LEU 64 HB3 LEU 64 32.309 -34.216 5.612 472 HG LEU 64 HG LEU 64 30.877 -33.575 8.020 473 HD11 LEU 64 HD11 LEU 64 29.478 -35.656 6.389 474 HD12 LEU 64 HD12 LEU 64 28.968 -33.970 6.333 475 HD13 LEU 64 HD13 LEU 64 28.944 -34.846 7.862 476 HD21 LEU 64 HD21 LEU 64 31.889 -36.129 6.779 477 HD22 LEU 64 HD22 LEU 64 31.258 -36.000 8.421 478 HD23 LEU 64 HD23 LEU 64 32.714 -35.115 7.965 Start of MODEL 9 1 H1 ALA 1 H ALA 1 -0.320 -8.390 -2.926 2 HA ALA 1 HA ALA 1 2.377 -7.959 -1.816 3 HB1 ALA 1 HB1 ALA 1 2.238 -8.357 -4.717 4 HB2 ALA 1 HB2 ALA 1 3.384 -8.991 -3.535 5 HB3 ALA 1 HB3 ALA 1 1.822 -9.778 -3.759 6 H LYS 2 H LYS 2 2.958 -5.898 -1.806 7 HA LYS 2 HA LYS 2 1.503 -4.003 -3.503 8 HB2 LYS 2 HB2 LYS 2 3.163 -3.658 -1.009 9 HB3 LYS 2 HB3 LYS 2 2.630 -2.294 -1.982 10 HG2 LYS 2 HG2 LYS 2 0.944 -2.337 -0.469 11 HG3 LYS 2 HG3 LYS 2 0.273 -3.455 -1.659 12 HD2 LYS 2 HD2 LYS 2 0.968 -5.347 -0.377 13 HD3 LYS 2 HD3 LYS 2 1.907 -4.330 0.719 14 HE2 LYS 2 HE2 LYS 2 -0.163 -4.976 1.783 15 HE3 LYS 2 HE3 LYS 2 -0.183 -3.245 1.452 16 HZ1 LYS 2 HZ1 LYS 2 -1.503 -3.717 -0.549 17 HZ2 LYS 2 HZ2 LYS 2 -2.289 -4.204 0.867 18 HZ3 LYS 2 HZ3 LYS 2 -1.549 -5.355 -0.128 19 H ALA 3 H ALA 3 2.718 -2.223 -4.492 20 HA ALA 3 HA ALA 3 4.814 -3.143 -6.110 21 HB1 ALA 3 HB1 ALA 3 4.374 -1.283 -7.242 22 HB2 ALA 3 HB2 ALA 3 3.186 -0.880 -6.002 23 HB3 ALA 3 HB3 ALA 3 4.836 -0.271 -5.873 24 H CYS 4 H CYS 4 6.972 -3.156 -5.899 25 HA CYS 4 HA CYS 4 8.097 -2.318 -3.348 26 HB2 CYS 4 HB2 CYS 4 9.992 -3.652 -3.899 27 HB3 CYS 4 HB3 CYS 4 8.575 -4.574 -4.389 28 H THR 5 H THR 5 10.713 -1.805 -4.042 29 HA THR 5 HA THR 5 10.489 0.658 -5.648 30 HB THR 5 HB THR 5 12.298 0.246 -3.259 31 HG1 THR 5 HG1 THR 5 10.834 1.700 -2.233 32 HG21 THR 5 HG21 THR 5 11.625 2.864 -4.556 33 HG22 THR 5 HG22 THR 5 12.934 1.860 -5.179 34 HG23 THR 5 HG23 THR 5 12.991 2.455 -3.519 35 HA PRO 6 HA PRO 6 13.609 -1.946 -7.768 36 HB2 PRO 6 HB2 PRO 6 13.048 -0.966 -10.237 37 HB3 PRO 6 HB3 PRO 6 12.127 -2.280 -9.492 38 HG2 PRO 6 HG2 PRO 6 11.468 0.636 -9.664 39 HG3 PRO 6 HG3 PRO 6 10.411 -0.767 -9.908 40 HD2 PRO 6 HD2 PRO 6 10.442 0.649 -7.601 41 HD3 PRO 6 HD3 PRO 6 10.112 -1.095 -7.646 42 H LEU 7 H LEU 7 15.003 -0.961 -9.828 43 HA LEU 7 HA LEU 7 16.731 0.927 -8.622 44 HB2 LEU 7 HB2 LEU 7 17.176 -0.889 -10.435 45 HB3 LEU 7 HB3 LEU 7 16.729 0.389 -11.563 46 HG LEU 7 HG LEU 7 18.632 1.546 -9.881 47 HD11 LEU 7 HD11 LEU 7 19.121 -1.344 -10.271 48 HD12 LEU 7 HD12 LEU 7 19.651 -0.264 -8.981 49 HD13 LEU 7 HD13 LEU 7 20.487 -0.258 -10.534 50 HD21 LEU 7 HD21 LEU 7 18.337 0.759 -12.682 51 HD22 LEU 7 HD22 LEU 7 20.011 0.862 -12.137 52 HD23 LEU 7 HD23 LEU 7 18.943 2.258 -11.980 53 H LEU 8 H LEU 8 17.245 3.058 -9.304 54 HA LEU 8 HA LEU 8 16.785 5.193 -9.936 55 HB2 LEU 8 HB2 LEU 8 14.841 4.059 -11.926 56 HB3 LEU 8 HB3 LEU 8 15.713 5.588 -12.008 57 HG LEU 8 HG LEU 8 17.058 2.896 -12.170 58 HD11 LEU 8 HD11 LEU 8 16.372 4.705 -14.474 59 HD12 LEU 8 HD12 LEU 8 15.403 3.305 -14.015 60 HD13 LEU 8 HD13 LEU 8 17.074 3.088 -14.534 61 HD21 LEU 8 HD21 LEU 8 18.014 5.634 -12.994 62 HD22 LEU 8 HD22 LEU 8 18.942 4.133 -12.991 63 HD23 LEU 8 HD23 LEU 8 18.423 4.854 -11.467 64 H HIS 9 H HIS 9 15.214 3.852 -7.878 65 HA HIS 9 HA HIS 9 12.894 5.652 -7.913 66 HB2 HIS 9 HB2 HIS 9 12.880 2.726 -7.770 67 HB3 HIS 9 HB3 HIS 9 11.975 3.495 -6.469 68 HD1 HIS 9 HD1 HIS 9 10.070 5.233 -7.308 69 HD2 HIS 9 HD2 HIS 9 11.545 2.570 -10.136 70 HE1 HIS 9 HE1 HIS 9 8.381 5.227 -9.171 71 H ASP 10 H ASP 10 12.431 6.634 -5.997 72 HA ASP 10 HA ASP 10 14.444 6.824 -4.048 73 HB2 ASP 10 HB2 ASP 10 11.553 7.556 -3.594 74 HB3 ASP 10 HB3 ASP 10 12.985 8.290 -2.876 75 H CYS 11 H CYS 11 14.725 5.910 -2.067 76 HA CYS 11 HA CYS 11 12.741 3.945 -1.158 77 HB2 CYS 11 HB2 CYS 11 14.417 2.289 -0.726 78 HB3 CYS 11 HB3 CYS 11 14.619 2.817 -2.393 79 H SER 12 H SER 12 13.452 6.681 -0.315 80 HA SER 12 HA SER 12 14.995 6.670 2.030 81 HB2 SER 12 HB2 SER 12 13.880 8.805 2.550 82 HB3 SER 12 HB3 SER 12 14.380 8.739 0.860 83 HG SER 12 HG SER 12 12.368 8.897 0.290 84 H HIS 13 H HIS 13 11.749 5.651 1.401 85 HA HIS 13 HA HIS 13 10.638 5.828 3.962 86 HB2 HIS 13 HB2 HIS 13 10.122 3.901 1.696 87 HB3 HIS 13 HB3 HIS 13 9.165 3.918 3.174 88 HD1 HIS 13 HD1 HIS 13 10.204 7.240 1.986 89 HD2 HIS 13 HD2 HIS 13 6.976 4.677 1.468 90 HE1 HIS 13 HE1 HIS 13 8.381 8.651 0.980 91 H ASP 14 H ASP 14 12.643 3.333 2.478 92 HA ASP 14 HA ASP 14 13.544 2.413 5.027 93 HB2 ASP 14 HB2 ASP 14 11.192 1.210 4.056 94 HB3 ASP 14 HB3 ASP 14 12.483 0.047 3.759 95 H ARG 15 H ARG 15 15.614 1.977 4.710 96 HA ARG 15 HA ARG 15 16.867 1.836 2.238 97 HB2 ARG 15 HB2 ARG 15 18.837 1.053 3.435 98 HB3 ARG 15 HB3 ARG 15 18.037 2.326 4.347 99 HG2 ARG 15 HG2 ARG 15 16.928 0.500 5.689 100 HG3 ARG 15 HG3 ARG 15 18.039 -0.624 4.903 101 HD2 ARG 15 HD2 ARG 15 18.855 0.122 7.102 102 HD3 ARG 15 HD3 ARG 15 19.939 0.580 5.790 103 HE ARG 15 HE ARG 15 18.045 2.625 6.488 104 HH11 ARG 15 HH11 ARG 15 21.153 1.235 7.213 105 HH12 ARG 15 HH12 ARG 15 21.784 2.686 7.919 106 HH21 ARG 15 HH21 ARG 15 18.864 4.541 7.416 107 HH22 ARG 15 HH22 ARG 15 20.480 4.566 8.034 108 H HIS 16 H HIS 16 15.315 -0.655 4.098 109 HA HIS 16 HA HIS 16 16.334 -2.726 2.287 110 HB2 HIS 16 HB2 HIS 16 16.152 -2.813 4.968 111 HB3 HIS 16 HB3 HIS 16 14.562 -3.449 4.557 112 HD1 HIS 16 HD1 HIS 16 14.584 -5.909 4.544 113 HD2 HIS 16 HD2 HIS 16 18.193 -4.341 3.215 114 HE1 HIS 16 HE1 HIS 16 16.017 -7.899 3.991 115 H SER 17 H SER 17 14.330 -0.720 1.520 116 HA SER 17 HA SER 17 11.914 -2.351 1.220 117 HB2 SER 17 HB2 SER 17 11.515 -0.100 2.022 118 HB3 SER 17 HB3 SER 17 12.423 0.582 0.674 119 HG SER 17 HG SER 17 10.032 0.518 0.505 120 H CYS 18 H CYS 18 14.641 -1.190 -0.521 121 HA CYS 18 HA CYS 18 13.697 -1.126 -3.136 122 HB2 CYS 18 HB2 CYS 18 16.386 -1.791 -1.961 123 HB3 CYS 18 HB3 CYS 18 16.116 -1.840 -3.700 124 H CYS 19 H CYS 19 13.485 -2.637 -4.759 125 HA CYS 19 HA CYS 19 12.466 -5.112 -4.208 126 HB2 CYS 19 HB2 CYS 19 13.689 -3.876 -6.617 127 HB3 CYS 19 HB3 CYS 19 13.477 -5.624 -6.639 128 H ARG 20 H ARG 20 13.328 -7.282 -4.679 129 HA ARG 20 HA ARG 20 16.201 -7.516 -4.096 130 HB2 ARG 20 HB2 ARG 20 14.001 -9.192 -2.874 131 HB3 ARG 20 HB3 ARG 20 15.726 -9.419 -2.619 132 HG2 ARG 20 HG2 ARG 20 15.869 -7.243 -1.540 133 HG3 ARG 20 HG3 ARG 20 14.148 -6.980 -1.826 134 HD2 ARG 20 HD2 ARG 20 14.052 -7.764 0.311 135 HD3 ARG 20 HD3 ARG 20 13.956 -9.294 -0.561 136 HE ARG 20 HE ARG 20 16.652 -8.672 -0.050 137 HH11 ARG 20 HH11 ARG 20 13.753 -9.669 1.599 138 HH12 ARG 20 HH12 ARG 20 14.600 -10.497 2.863 139 HH21 ARG 20 HH21 ARG 20 17.779 -9.759 1.610 140 HH22 ARG 20 HH22 ARG 20 16.889 -10.547 2.869 141 H GLY 21 H GLY 21 17.026 -9.768 -4.561 142 HA2 GLY 21 HA2 GLY 21 15.662 -11.586 -6.190 143 HA3 GLY 21 HA3 GLY 21 16.468 -10.433 -7.245 144 H ASP 22 H ASP 22 17.237 -12.930 -7.579 145 HA ASP 22 HA ASP 22 19.225 -13.961 -5.908 146 HB2 ASP 22 HB2 ASP 22 18.086 -15.152 -7.819 147 HB3 ASP 22 HB3 ASP 22 19.140 -14.260 -8.913 148 H MET 23 H MET 23 19.843 -12.449 -9.078 149 HA MET 23 HA MET 23 22.267 -11.241 -7.918 150 HB2 MET 23 HB2 MET 23 22.007 -12.164 -10.778 151 HB3 MET 23 HB3 MET 23 23.466 -11.643 -9.945 152 HG2 MET 23 HG2 MET 23 23.334 -13.614 -8.497 153 HG3 MET 23 HG3 MET 23 21.889 -14.138 -9.359 154 HE1 MET 23 HE1 MET 23 22.216 -14.992 -12.300 155 HE2 MET 23 HE2 MET 23 23.134 -16.411 -11.796 156 HE3 MET 23 HE3 MET 23 21.874 -15.760 -10.748 157 H PHE 24 H PHE 24 19.703 -10.007 -8.066 158 HA PHE 24 HA PHE 24 20.364 -7.778 -9.858 159 HB2 PHE 24 HB2 PHE 24 17.863 -9.384 -9.786 160 HB3 PHE 24 HB3 PHE 24 17.692 -7.643 -9.987 161 HD1 PHE 24 HD1 PHE 24 19.064 -10.716 -11.464 162 HD2 PHE 24 HD2 PHE 24 18.310 -6.563 -12.017 163 HE1 PHE 24 HE1 PHE 24 19.547 -10.951 -13.865 164 HE2 PHE 24 HE2 PHE 24 18.792 -6.792 -14.419 165 HZ PHE 24 HZ PHE 24 19.410 -8.988 -15.346 166 H LYS 25 H LYS 25 20.171 -8.631 -6.818 167 HA LYS 25 HA LYS 25 18.365 -7.033 -5.482 168 HB2 LYS 25 HB2 LYS 25 19.798 -7.189 -3.568 169 HB3 LYS 25 HB3 LYS 25 19.916 -8.707 -4.450 170 HG2 LYS 25 HG2 LYS 25 21.963 -7.362 -5.561 171 HG3 LYS 25 HG3 LYS 25 21.951 -6.641 -3.950 172 HD2 LYS 25 HD2 LYS 25 21.795 -9.118 -3.148 173 HD3 LYS 25 HD3 LYS 25 22.423 -9.482 -4.757 174 HE2 LYS 25 HE2 LYS 25 24.371 -9.299 -3.550 175 HE3 LYS 25 HE3 LYS 25 24.192 -7.653 -4.156 176 HZ1 LYS 25 HZ1 LYS 25 23.901 -6.855 -2.107 177 HZ2 LYS 25 HZ2 LYS 25 24.553 -8.320 -1.568 178 HZ3 LYS 25 HZ3 LYS 25 22.875 -8.116 -1.637 179 H TYR 26 H TYR 26 18.131 -4.912 -5.114 180 HA TYR 26 HA TYR 26 20.078 -3.099 -6.326 181 HB2 TYR 26 HB2 TYR 26 17.288 -2.577 -5.279 182 HB3 TYR 26 HB3 TYR 26 18.312 -1.387 -6.074 183 HD1 TYR 26 HD2 TYR 26 19.444 -3.057 -8.267 184 HD2 TYR 26 HD1 TYR 26 15.478 -2.780 -6.751 185 HE1 TYR 26 HE2 TYR 26 18.564 -3.757 -10.454 186 HE2 TYR 26 HE1 TYR 26 14.587 -3.480 -8.934 187 HH TYR 26 HH TYR 26 15.220 -4.556 -10.921 188 H VAL 27 H VAL 27 21.089 -1.451 -5.215 189 HA VAL 27 HA VAL 27 21.012 -1.686 -2.281 190 HB VAL 27 HB VAL 27 23.274 -0.533 -2.401 191 HG11 VAL 27 HG11 VAL 27 23.319 -3.191 -3.784 192 HG12 VAL 27 HG12 VAL 27 24.405 -2.563 -2.544 193 HG13 VAL 27 HG13 VAL 27 22.762 -3.042 -2.118 194 HG21 VAL 27 HG21 VAL 27 23.069 -1.355 -5.297 195 HG22 VAL 27 HG22 VAL 27 23.053 0.304 -4.700 196 HG23 VAL 27 HG23 VAL 27 24.495 -0.691 -4.500 197 H CYS 28 H CYS 28 20.309 -0.017 -1.120 198 HA CYS 28 HA CYS 28 19.306 2.329 -2.379 199 HB2 CYS 28 HB2 CYS 28 19.470 1.297 0.409 200 HB3 CYS 28 HB3 CYS 28 19.211 3.025 0.196 201 H ASP 29 H ASP 29 20.559 3.899 -3.129 202 HA ASP 29 HA ASP 29 22.941 4.661 -1.568 203 HB2 ASP 29 HB2 ASP 29 23.812 3.913 -3.598 204 HB3 ASP 29 HB3 ASP 29 22.456 4.548 -4.525 205 H CYS 30 H CYS 30 23.303 6.808 -1.132 206 HA CYS 30 HA CYS 30 21.095 8.639 -1.812 207 HB2 CYS 30 HB2 CYS 30 22.881 8.630 0.631 208 HB3 CYS 30 HB3 CYS 30 21.653 9.842 0.282 209 H PHE 31 H PHE 31 21.556 10.646 -2.603 210 HA PHE 31 HA PHE 31 24.332 11.525 -2.750 211 HB2 PHE 31 HB2 PHE 31 24.087 11.990 -5.205 212 HB3 PHE 31 HB3 PHE 31 24.149 10.280 -4.794 213 HD1 PHE 31 HD2 PHE 31 22.163 8.885 -4.974 214 HD2 PHE 31 HD1 PHE 31 22.098 12.989 -6.099 215 HE1 PHE 31 HE2 PHE 31 20.049 8.518 -6.179 216 HE2 PHE 31 HE1 PHE 31 19.985 12.629 -7.305 217 HZ PHE 31 HZ PHE 31 18.957 10.392 -7.347 218 H TYR 32 H TYR 32 24.188 13.691 -4.279 219 HA TYR 32 HA TYR 32 22.153 15.340 -2.943 220 HB2 TYR 32 HB2 TYR 32 24.817 16.153 -4.124 221 HB3 TYR 32 HB3 TYR 32 23.678 17.238 -3.335 222 HD1 TYR 32 HD2 TYR 32 25.771 14.222 -2.727 223 HD2 TYR 32 HD1 TYR 32 23.775 17.572 -1.024 224 HE1 TYR 32 HE2 TYR 32 26.822 13.738 -0.558 225 HE2 TYR 32 HE1 TYR 32 24.822 17.097 1.150 226 HH TYR 32 HH TYR 32 27.309 14.670 1.503 227 HA PRO 33 HA PRO 33 20.210 16.250 -6.779 228 HB2 PRO 33 HB2 PRO 33 19.210 18.714 -6.231 229 HB3 PRO 33 HB3 PRO 33 18.541 17.231 -5.542 230 HG2 PRO 33 HG2 PRO 33 20.428 19.205 -4.317 231 HG3 PRO 33 HG3 PRO 33 19.023 18.402 -3.592 232 HD2 PRO 33 HD2 PRO 33 21.563 17.578 -3.145 233 HD3 PRO 33 HD3 PRO 33 20.188 16.456 -3.183 234 H GLU 34 H GLU 34 22.914 17.922 -5.655 235 HA GLU 34 HA GLU 34 24.513 19.167 -6.691 236 HB2 GLU 34 HB2 GLU 34 23.859 17.458 -8.573 237 HB3 GLU 34 HB3 GLU 34 23.132 18.869 -9.330 238 HG2 GLU 34 HG2 GLU 34 25.339 20.013 -9.148 239 HG3 GLU 34 HG3 GLU 34 26.020 18.488 -8.585 240 H GLY 35 H GLY 35 22.033 20.357 -5.686 241 HA2 GLY 35 HA2 GLY 35 22.424 22.998 -6.724 242 HA3 GLY 35 HA3 GLY 35 20.894 22.310 -7.243 243 H GLU 36 H GLU 36 19.899 21.030 -5.150 244 HA GLU 36 HA GLU 36 19.551 23.171 -3.178 245 HB2 GLU 36 HB2 GLU 36 17.842 20.838 -4.008 246 HB3 GLU 36 HB3 GLU 36 17.535 21.712 -2.513 247 HG2 GLU 36 HG2 GLU 36 17.487 22.831 -5.305 248 HG3 GLU 36 HG3 GLU 36 16.108 22.562 -4.241 249 H ASP 37 H ASP 37 21.193 22.881 -1.734 250 HA ASP 37 HA ASP 37 21.791 20.260 -0.668 251 HB2 ASP 37 HB2 ASP 37 23.484 21.448 0.681 252 HB3 ASP 37 HB3 ASP 37 23.619 21.834 -1.033 253 H LYS 38 H LYS 38 19.239 20.559 -0.111 254 HA LYS 38 HA LYS 38 19.171 21.266 2.750 255 HB2 LYS 38 HB2 LYS 38 17.749 22.561 0.835 256 HB3 LYS 38 HB3 LYS 38 16.613 21.293 1.275 257 HG2 LYS 38 HG2 LYS 38 17.143 22.058 3.711 258 HG3 LYS 38 HG3 LYS 38 17.672 23.544 2.917 259 HD2 LYS 38 HD2 LYS 38 15.558 24.079 2.211 260 HD3 LYS 38 HD3 LYS 38 15.033 22.395 2.156 261 HE2 LYS 38 HE2 LYS 38 13.894 23.464 3.964 262 HE3 LYS 38 HE3 LYS 38 15.096 22.372 4.650 263 HZ1 LYS 38 HZ1 LYS 38 15.057 24.529 5.767 264 HZ2 LYS 38 HZ2 LYS 38 15.449 25.301 4.315 265 HZ3 LYS 38 HZ3 LYS 38 16.554 24.240 5.033 266 H THR 39 H THR 39 18.931 18.831 0.483 267 HA THR 39 HA THR 39 18.068 16.930 2.459 268 HB THR 39 HB THR 39 16.402 16.902 -0.030 269 HG1 THR 39 HG1 THR 39 15.847 18.889 0.708 270 HG21 THR 39 HG21 THR 39 14.919 15.590 1.259 271 HG22 THR 39 HG22 THR 39 15.685 16.072 2.774 272 HG23 THR 39 HG23 THR 39 16.532 15.001 1.658 273 H GLU 40 H GLU 40 18.465 14.759 1.847 274 HA GLU 40 HA GLU 40 20.302 14.527 -0.431 275 HB2 GLU 40 HB2 GLU 40 19.950 12.618 1.884 276 HB3 GLU 40 HB3 GLU 40 21.223 12.583 0.671 277 HG2 GLU 40 HG2 GLU 40 20.799 14.709 2.757 278 HG3 GLU 40 HG3 GLU 40 22.062 13.480 2.747 279 H VAL 41 H VAL 41 19.759 13.381 -2.168 280 HA VAL 41 HA VAL 41 17.183 12.076 -2.263 281 HB VAL 41 HB VAL 41 19.231 12.126 -4.471 282 HG11 VAL 41 HG11 VAL 41 17.638 10.893 -5.438 283 HG12 VAL 41 HG12 VAL 41 16.449 11.299 -4.200 284 HG13 VAL 41 HG13 VAL 41 16.722 12.395 -5.553 285 HG21 VAL 41 HG21 VAL 41 17.928 14.174 -5.246 286 HG22 VAL 41 HG22 VAL 41 17.316 14.271 -3.596 287 HG23 VAL 41 HG23 VAL 41 19.048 14.401 -3.902 288 H CYS 42 H CYS 42 16.932 10.049 -1.613 289 HA CYS 42 HA CYS 42 19.176 8.171 -1.929 290 HB2 CYS 42 HB2 CYS 42 16.822 8.120 -0.031 291 HB3 CYS 42 HB3 CYS 42 17.995 6.816 -0.185 292 H SER 43 H SER 43 18.975 6.986 -3.709 293 HA SER 43 HA SER 43 16.343 5.809 -4.305 294 HB2 SER 43 HB2 SER 43 16.566 6.211 -6.619 295 HB3 SER 43 HB3 SER 43 17.066 7.723 -5.862 296 HG SER 43 HG SER 43 18.533 5.911 -7.327 297 H CYS 44 H CYS 44 16.524 3.868 -5.748 298 HA CYS 44 HA CYS 44 18.532 2.100 -4.674 299 HB2 CYS 44 HB2 CYS 44 16.384 1.553 -6.735 300 HB3 CYS 44 HB3 CYS 44 17.334 0.343 -5.878 301 H GLN 45 H GLN 45 20.452 1.739 -5.548 302 HA GLN 45 HA GLN 45 20.784 2.170 -8.445 303 HB2 GLN 45 HB2 GLN 45 22.736 2.769 -6.217 304 HB3 GLN 45 HB3 GLN 45 23.141 2.823 -7.928 305 HG2 GLN 45 HG2 GLN 45 20.829 4.427 -6.981 306 HG3 GLN 45 HG3 GLN 45 22.455 4.984 -6.590 307 HE21 GLN 45 HE21 GLN 45 20.157 4.381 -9.120 308 HE22 GLN 45 HE22 GLN 45 21.002 5.223 -10.369 309 H GLN 46 H GLN 46 22.801 1.021 -9.286 310 HA GLN 46 HA GLN 46 22.626 -1.753 -8.447 311 HB2 GLN 46 HB2 GLN 46 23.315 -0.331 -10.879 312 HB3 GLN 46 HB3 GLN 46 24.507 -1.567 -10.501 313 HG2 GLN 46 HG2 GLN 46 23.107 -3.247 -10.976 314 HG3 GLN 46 HG3 GLN 46 21.724 -2.440 -10.239 315 HE21 GLN 46 HE21 GLN 46 20.167 -2.229 -11.667 316 HE22 GLN 46 HE22 GLN 46 20.353 -1.761 -13.319 317 HA PRO 47 HA PRO 47 26.400 -2.003 -6.228 318 HB2 PRO 47 HB2 PRO 47 27.362 -4.422 -7.000 319 HB3 PRO 47 HB3 PRO 47 25.964 -4.240 -5.933 320 HG2 PRO 47 HG2 PRO 47 26.045 -4.776 -8.877 321 HG3 PRO 47 HG3 PRO 47 25.015 -5.510 -7.635 322 HD2 PRO 47 HD2 PRO 47 24.139 -3.545 -9.278 323 HD3 PRO 47 HD3 PRO 47 23.556 -3.726 -7.611 324 H LYS 48 H LYS 48 28.815 -2.826 -6.623 325 HA LYS 48 HA LYS 48 30.817 -2.240 -7.540 326 HB2 LYS 48 HB2 LYS 48 29.490 -3.829 -9.331 327 HB3 LYS 48 HB3 LYS 48 29.880 -2.429 -10.321 328 HG2 LYS 48 HG2 LYS 48 31.710 -3.780 -10.654 329 HG3 LYS 48 HG3 LYS 48 32.268 -2.728 -9.351 330 HD2 LYS 48 HD2 LYS 48 32.679 -4.526 -8.112 331 HD3 LYS 48 HD3 LYS 48 30.957 -4.915 -8.139 332 HE2 LYS 48 HE2 LYS 48 32.670 -5.655 -10.469 333 HE3 LYS 48 HE3 LYS 48 32.725 -6.639 -9.007 334 HZ1 LYS 48 HZ1 LYS 48 30.365 -6.078 -10.713 335 HZ2 LYS 48 HZ2 LYS 48 30.255 -6.802 -9.189 336 HZ3 LYS 48 HZ3 LYS 48 31.102 -7.575 -10.432 337 H SER 49 H SER 49 31.623 -0.924 -9.773 338 HA SER 49 HA SER 49 30.236 1.672 -9.613 339 HB2 SER 49 HB2 SER 49 33.149 1.670 -10.178 340 HB3 SER 49 HB3 SER 49 32.183 2.806 -9.239 341 HG SER 49 HG SER 49 33.023 1.804 -7.595 342 H HIS 50 H HIS 50 30.515 3.063 -11.486 343 HA HIS 50 HA HIS 50 30.786 1.489 -13.956 344 HB2 HIS 50 HB2 HIS 50 28.583 2.694 -13.328 345 HB3 HIS 50 HB3 HIS 50 29.432 4.168 -13.783 346 HD1 HIS 50 HD1 HIS 50 27.304 4.043 -15.572 347 HD2 HIS 50 HD2 HIS 50 30.527 1.491 -16.174 348 HE1 HIS 50 HE1 HIS 50 27.151 3.322 -17.977 349 H LYS 51 H LYS 51 33.089 1.743 -13.957 350 HA LYS 51 HA LYS 51 33.915 4.142 -15.336 351 HB2 LYS 51 HB2 LYS 51 34.838 3.494 -12.560 352 HB3 LYS 51 HB3 LYS 51 35.935 4.292 -13.678 353 HG2 LYS 51 HG2 LYS 51 35.049 6.195 -12.950 354 HG3 LYS 51 HG3 LYS 51 33.634 5.772 -13.918 355 HD2 LYS 51 HD2 LYS 51 32.573 4.750 -12.017 356 HD3 LYS 51 HD3 LYS 51 34.027 4.962 -11.039 357 HE2 LYS 51 HE2 LYS 51 32.686 7.329 -12.282 358 HE3 LYS 51 HE3 LYS 51 32.050 6.633 -10.793 359 HZ1 LYS 51 HZ1 LYS 51 34.712 7.842 -11.250 360 HZ2 LYS 51 HZ2 LYS 51 34.388 6.868 -9.907 361 HZ3 LYS 51 HZ3 LYS 51 33.530 8.308 -10.135 362 H ILE 52 H ILE 52 35.749 1.734 -13.473 363 HA ILE 52 HA ILE 52 36.585 0.432 -15.948 364 HB ILE 52 HB ILE 52 38.961 0.543 -15.360 365 HG12 ILE 52 HG12 ILE 52 38.808 2.765 -13.507 366 HG13 ILE 52 HG13 ILE 52 37.999 1.344 -12.853 367 HG21 ILE 52 HG21 ILE 52 37.861 2.240 -16.846 368 HG22 ILE 52 HG22 ILE 52 37.812 3.323 -15.455 369 HG23 ILE 52 HG23 ILE 52 39.363 2.771 -16.089 370 HD11 ILE 52 HD11 ILE 52 40.797 1.908 -13.075 371 HD12 ILE 52 HD12 ILE 52 39.979 0.595 -12.228 372 HD13 ILE 52 HD13 ILE 52 40.404 0.416 -13.930 373 H ALA 53 H ALA 53 38.239 -1.404 -15.286 374 HA ALA 53 HA ALA 53 36.816 -3.068 -13.413 375 HB1 ALA 53 HB1 ALA 53 37.483 -4.445 -15.066 376 HB2 ALA 53 HB2 ALA 53 38.884 -3.455 -15.473 377 HB3 ALA 53 HB3 ALA 53 38.955 -4.559 -14.100 378 H GLU 54 H GLU 54 37.134 -2.325 -11.350 379 HA GLU 54 HA GLU 54 39.886 -2.539 -10.332 380 HB2 GLU 54 HB2 GLU 54 39.073 -0.145 -10.570 381 HB3 GLU 54 HB3 GLU 54 37.889 -0.515 -9.324 382 HG2 GLU 54 HG2 GLU 54 40.280 -1.370 -8.237 383 HG3 GLU 54 HG3 GLU 54 40.703 0.118 -9.084 384 H LYS 55 H LYS 55 38.619 -4.750 -10.111 385 HA LYS 55 HA LYS 55 36.944 -4.866 -7.747 386 HB2 LYS 55 HB2 LYS 55 36.796 -7.266 -8.233 387 HB3 LYS 55 HB3 LYS 55 36.410 -6.300 -9.651 388 HG2 LYS 55 HG2 LYS 55 39.123 -6.732 -9.889 389 HG3 LYS 55 HG3 LYS 55 38.511 -8.257 -9.246 390 HD2 LYS 55 HD2 LYS 55 38.014 -8.748 -11.374 391 HD3 LYS 55 HD3 LYS 55 36.655 -7.641 -11.166 392 HE2 LYS 55 HE2 LYS 55 37.695 -5.937 -12.310 393 HE3 LYS 55 HE3 LYS 55 39.313 -6.538 -11.946 394 HZ1 LYS 55 HZ1 LYS 55 39.132 -8.189 -13.581 395 HZ2 LYS 55 HZ2 LYS 55 38.516 -6.793 -14.311 396 HZ3 LYS 55 HZ3 LYS 55 37.460 -7.987 -13.744 397 H ILE 56 H ILE 56 37.507 -6.834 -6.238 398 HA ILE 56 HA ILE 56 40.356 -7.076 -5.718 399 HB ILE 56 HB ILE 56 39.669 -5.025 -4.497 400 HG12 ILE 56 HG12 ILE 56 40.170 -6.771 -2.222 401 HG13 ILE 56 HG13 ILE 56 41.187 -7.176 -3.599 402 HG21 ILE 56 HG21 ILE 56 37.970 -4.937 -2.993 403 HG22 ILE 56 HG22 ILE 56 37.337 -6.221 -4.022 404 HG23 ILE 56 HG23 ILE 56 38.159 -6.625 -2.515 405 HD11 ILE 56 HD11 ILE 56 41.241 -4.379 -3.364 406 HD12 ILE 56 HD12 ILE 56 41.440 -5.033 -1.738 407 HD13 ILE 56 HD13 ILE 56 42.537 -5.527 -3.029 408 H ILE 57 H ILE 57 40.878 -8.990 -4.806 409 HA ILE 57 HA ILE 57 38.883 -10.538 -3.373 410 HB ILE 57 HB ILE 57 38.498 -11.160 -5.725 411 HG12 ILE 57 HG12 ILE 57 39.765 -13.631 -4.809 412 HG13 ILE 57 HG13 ILE 57 38.825 -12.839 -3.550 413 HG21 ILE 57 HG21 ILE 57 40.865 -10.719 -6.437 414 HG22 ILE 57 HG22 ILE 57 41.296 -12.269 -5.717 415 HG23 ILE 57 HG23 ILE 57 40.159 -12.209 -7.065 416 HD11 ILE 57 HD11 ILE 57 37.648 -13.267 -6.260 417 HD12 ILE 57 HD12 ILE 57 37.692 -14.578 -5.081 418 HD13 ILE 57 HD13 ILE 57 36.841 -13.080 -4.703 419 H ASP 58 H ASP 58 39.754 -12.052 -1.993 420 HA ASP 58 HA ASP 58 42.606 -12.621 -2.108 421 HB2 ASP 58 HB2 ASP 58 41.735 -10.533 -0.526 422 HB3 ASP 58 HB3 ASP 58 41.798 -11.883 0.606 423 H LYS 59 H LYS 59 43.246 -14.276 -0.500 424 HA LYS 59 HA LYS 59 41.256 -15.778 0.881 425 HB2 LYS 59 HB2 LYS 59 41.166 -16.322 -1.741 426 HB3 LYS 59 HB3 LYS 59 42.462 -17.419 -1.284 427 HG2 LYS 59 HG2 LYS 59 40.185 -17.563 0.516 428 HG3 LYS 59 HG3 LYS 59 39.769 -17.946 -1.156 429 HD2 LYS 59 HD2 LYS 59 42.119 -19.179 0.265 430 HD3 LYS 59 HD3 LYS 59 40.505 -19.891 0.292 431 HE2 LYS 59 HE2 LYS 59 40.707 -20.682 -1.791 432 HE3 LYS 59 HE3 LYS 59 41.393 -19.171 -2.388 433 HZ1 LYS 59 HZ1 LYS 59 42.759 -21.453 -2.192 434 HZ2 LYS 59 HZ2 LYS 59 43.143 -20.750 -0.702 435 HZ3 LYS 59 HZ3 LYS 59 43.479 -19.922 -2.140 436 H ALA 60 H ALA 60 42.166 -17.081 2.394 437 HA ALA 60 HA ALA 60 45.026 -17.701 2.165 438 HB1 ALA 60 HB1 ALA 60 45.592 -16.828 4.234 439 HB2 ALA 60 HB2 ALA 60 44.480 -15.615 3.596 440 HB3 ALA 60 HB3 ALA 60 43.918 -16.786 4.789 441 H LYS 61 H LYS 61 45.385 -19.787 2.502 442 HA LYS 61 HA LYS 61 43.364 -21.345 3.962 443 HB2 LYS 61 HB2 LYS 61 45.216 -21.972 1.706 444 HB3 LYS 61 HB3 LYS 61 44.749 -23.275 2.792 445 HG2 LYS 61 HG2 LYS 61 42.504 -21.654 1.858 446 HG3 LYS 61 HG3 LYS 61 43.373 -22.495 0.572 447 HD2 LYS 61 HD2 LYS 61 41.926 -24.154 1.143 448 HD3 LYS 61 HD3 LYS 61 43.197 -24.501 2.318 449 HE2 LYS 61 HE2 LYS 61 42.010 -23.453 4.063 450 HE3 LYS 61 HE3 LYS 61 40.899 -22.667 2.942 451 HZ1 LYS 61 HZ1 LYS 61 40.080 -24.919 2.354 452 HZ2 LYS 61 HZ2 LYS 61 39.775 -24.483 3.958 453 HZ3 LYS 61 HZ3 LYS 61 41.030 -25.558 3.598 454 H THR 62 H THR 62 44.142 -20.940 6.048 455 HA THR 62 HA THR 62 46.887 -21.573 6.712 456 HB THR 62 HB THR 62 45.682 -19.712 7.840 457 HG1 THR 62 HG1 THR 62 46.726 -20.112 9.704 458 HG21 THR 62 HG21 THR 62 44.209 -21.799 9.420 459 HG22 THR 62 HG22 THR 62 43.507 -21.082 7.970 460 HG23 THR 62 HG23 THR 62 43.923 -20.062 9.346 461 H THR 63 H THR 63 47.624 -23.382 7.690 462 HA THR 63 HA THR 63 45.669 -25.395 8.564 463 HB THR 63 HB THR 63 47.074 -27.180 7.552 464 HG1 THR 63 HG1 THR 63 49.028 -26.107 7.284 465 HG21 THR 63 HG21 THR 63 46.296 -26.876 5.268 466 HG22 THR 63 HG22 THR 63 46.058 -25.153 5.557 467 HG23 THR 63 HG23 THR 63 45.061 -26.334 6.404 468 H LEU 64 H LEU 64 47.024 -27.319 9.593 469 HA LEU 64 HA LEU 64 48.233 -26.273 11.912 470 HB2 LEU 64 HB2 LEU 64 47.672 -28.926 10.791 471 HB3 LEU 64 HB3 LEU 64 49.062 -28.866 11.873 472 HG LEU 64 HG LEU 64 47.008 -29.531 13.033 473 HD11 LEU 64 HD11 LEU 64 47.347 -26.919 14.259 474 HD12 LEU 64 HD12 LEU 64 48.882 -27.684 13.849 475 HD13 LEU 64 HD13 LEU 64 47.728 -28.524 14.884 476 HD21 LEU 64 HD21 LEU 64 45.384 -28.338 11.682 477 HD22 LEU 64 HD22 LEU 64 46.020 -26.792 12.246 478 HD23 LEU 64 HD23 LEU 64 45.220 -27.883 13.379 Start of MODEL 10 1 H1 ALA 1 H ALA 1 3.317 -5.854 -12.523 2 HA ALA 1 HA ALA 1 1.426 -5.917 -10.465 3 HB1 ALA 1 HB1 ALA 1 1.631 -7.966 -11.439 4 HB2 ALA 1 HB2 ALA 1 3.386 -7.850 -11.577 5 HB3 ALA 1 HB3 ALA 1 2.647 -8.224 -10.021 6 H LYS 2 H LYS 2 4.971 -5.952 -10.329 7 HA LYS 2 HA LYS 2 4.967 -5.979 -7.435 8 HB2 LYS 2 HB2 LYS 2 7.271 -5.625 -9.361 9 HB3 LYS 2 HB3 LYS 2 7.403 -5.941 -7.637 10 HG2 LYS 2 HG2 LYS 2 6.641 -8.138 -7.861 11 HG3 LYS 2 HG3 LYS 2 5.983 -7.839 -9.472 12 HD2 LYS 2 HD2 LYS 2 8.479 -7.304 -10.058 13 HD3 LYS 2 HD3 LYS 2 8.813 -8.273 -8.621 14 HE2 LYS 2 HE2 LYS 2 7.108 -9.192 -10.931 15 HE3 LYS 2 HE3 LYS 2 8.823 -9.559 -10.761 16 HZ1 LYS 2 HZ1 LYS 2 7.220 -11.301 -9.948 17 HZ2 LYS 2 HZ2 LYS 2 6.840 -10.254 -8.677 18 HZ3 LYS 2 HZ3 LYS 2 8.419 -10.835 -8.849 19 H ALA 3 H ALA 3 4.301 -4.145 -6.493 20 HA ALA 3 HA ALA 3 4.982 -1.558 -7.623 21 HB1 ALA 3 HB1 ALA 3 2.767 -2.392 -6.369 22 HB2 ALA 3 HB2 ALA 3 3.640 -1.711 -4.996 23 HB3 ALA 3 HB3 ALA 3 3.282 -0.705 -6.399 24 H CYS 4 H CYS 4 6.950 -3.487 -6.290 25 HA CYS 4 HA CYS 4 7.833 -2.372 -3.867 26 HB2 CYS 4 HB2 CYS 4 9.947 -3.554 -4.314 27 HB3 CYS 4 HB3 CYS 4 8.551 -4.583 -4.620 28 H THR 5 H THR 5 10.459 -1.738 -4.079 29 HA THR 5 HA THR 5 10.380 0.788 -5.590 30 HB THR 5 HB THR 5 12.108 0.117 -3.200 31 HG1 THR 5 HG1 THR 5 9.547 1.227 -3.449 32 HG21 THR 5 HG21 THR 5 11.511 2.849 -4.297 33 HG22 THR 5 HG22 THR 5 12.855 1.887 -4.911 34 HG23 THR 5 HG23 THR 5 12.808 2.353 -3.211 35 HA PRO 6 HA PRO 6 13.532 -1.660 -7.851 36 HB2 PRO 6 HB2 PRO 6 13.041 -0.465 -10.240 37 HB3 PRO 6 HB3 PRO 6 12.095 -1.830 -9.636 38 HG2 PRO 6 HG2 PRO 6 11.458 1.094 -9.571 39 HG3 PRO 6 HG3 PRO 6 10.399 -0.273 -9.963 40 HD2 PRO 6 HD2 PRO 6 10.376 0.938 -7.542 41 HD3 PRO 6 HD3 PRO 6 10.038 -0.792 -7.747 42 H LEU 7 H LEU 7 14.981 -0.508 -9.786 43 HA LEU 7 HA LEU 7 16.692 1.253 -8.376 44 HB2 LEU 7 HB2 LEU 7 17.209 -0.398 -10.298 45 HB3 LEU 7 HB3 LEU 7 16.734 0.931 -11.354 46 HG LEU 7 HG LEU 7 18.585 2.067 -9.625 47 HD11 LEU 7 HD11 LEU 7 20.533 0.418 -10.138 48 HD12 LEU 7 HD12 LEU 7 19.247 -0.787 -10.199 49 HD13 LEU 7 HD13 LEU 7 19.504 0.154 -8.730 50 HD21 LEU 7 HD21 LEU 7 18.345 1.358 -12.443 51 HD22 LEU 7 HD22 LEU 7 20.015 1.428 -11.880 52 HD23 LEU 7 HD23 LEU 7 18.961 2.830 -11.690 53 H LEU 8 H LEU 8 17.264 3.426 -8.909 54 HA LEU 8 HA LEU 8 16.837 5.612 -9.371 55 HB2 LEU 8 HB2 LEU 8 14.881 4.656 -11.443 56 HB3 LEU 8 HB3 LEU 8 15.760 6.182 -11.403 57 HG LEU 8 HG LEU 8 17.085 3.503 -11.786 58 HD11 LEU 8 HD11 LEU 8 17.262 4.780 -14.181 59 HD12 LEU 8 HD12 LEU 8 15.631 5.211 -13.668 60 HD13 LEU 8 HD13 LEU 8 16.096 3.515 -13.795 61 HD21 LEU 8 HD21 LEU 8 18.864 5.039 -12.762 62 HD22 LEU 8 HD22 LEU 8 18.671 5.052 -11.009 63 HD23 LEU 8 HD23 LEU 8 17.994 6.359 -11.982 64 H HIS 9 H HIS 9 15.262 4.167 -7.406 65 HA HIS 9 HA HIS 9 12.962 5.988 -7.307 66 HB2 HIS 9 HB2 HIS 9 12.912 3.055 -7.362 67 HB3 HIS 9 HB3 HIS 9 12.006 3.753 -6.022 68 HD1 HIS 9 HD1 HIS 9 10.133 5.567 -6.765 69 HD2 HIS 9 HD2 HIS 9 11.595 3.065 -9.743 70 HE1 HIS 9 HE1 HIS 9 8.460 5.701 -8.638 71 H ASP 10 H ASP 10 12.527 6.843 -5.328 72 HA ASP 10 HA ASP 10 14.522 6.953 -3.393 73 HB2 ASP 10 HB2 ASP 10 11.589 7.434 -2.855 74 HB3 ASP 10 HB3 ASP 10 12.966 8.162 -2.033 75 H CYS 11 H CYS 11 14.850 5.967 -1.427 76 HA CYS 11 HA CYS 11 13.073 3.753 -0.692 77 HB2 CYS 11 HB2 CYS 11 14.929 2.235 -0.363 78 HB3 CYS 11 HB3 CYS 11 14.965 2.834 -2.018 79 H SER 12 H SER 12 13.658 6.483 0.347 80 HA SER 12 HA SER 12 15.153 6.220 2.754 81 HB2 SER 12 HB2 SER 12 14.875 8.406 1.747 82 HB3 SER 12 HB3 SER 12 13.120 8.290 1.889 83 HG SER 12 HG SER 12 15.033 8.539 3.960 84 H HIS 13 H HIS 13 12.000 5.307 1.847 85 HA HIS 13 HA HIS 13 10.695 5.531 4.355 86 HB2 HIS 13 HB2 HIS 13 10.150 3.843 1.915 87 HB3 HIS 13 HB3 HIS 13 9.118 3.809 3.341 88 HD1 HIS 13 HD1 HIS 13 10.446 7.139 2.593 89 HD2 HIS 13 HD2 HIS 13 7.124 4.881 1.532 90 HE1 HIS 13 HE1 HIS 13 8.805 8.775 1.617 91 H ASP 14 H ASP 14 12.535 2.952 2.797 92 HA ASP 14 HA ASP 14 13.195 1.780 5.318 93 HB2 ASP 14 HB2 ASP 14 10.983 0.651 3.717 94 HB3 ASP 14 HB3 ASP 14 12.183 -0.512 4.276 95 H ARG 15 H ARG 15 15.233 1.171 5.083 96 HA ARG 15 HA ARG 15 16.616 1.079 2.681 97 HB2 ARG 15 HB2 ARG 15 18.417 -0.019 3.931 98 HB3 ARG 15 HB3 ARG 15 17.725 1.314 4.847 99 HG2 ARG 15 HG2 ARG 15 16.308 -0.425 6.029 100 HG3 ARG 15 HG3 ARG 15 17.360 -1.631 5.288 101 HD2 ARG 15 HD2 ARG 15 18.074 -1.043 7.566 102 HD3 ARG 15 HD3 ARG 15 19.296 -0.644 6.359 103 HE ARG 15 HE ARG 15 17.610 1.580 6.902 104 HH11 ARG 15 HH11 ARG 15 20.285 -0.252 8.169 105 HH12 ARG 15 HH12 ARG 15 20.936 1.075 9.071 106 HH21 ARG 15 HH21 ARG 15 18.458 3.336 8.084 107 HH22 ARG 15 HH22 ARG 15 19.896 3.116 9.023 108 H HIS 16 H HIS 16 14.732 -1.374 4.262 109 HA HIS 16 HA HIS 16 15.672 -3.413 2.376 110 HB2 HIS 16 HB2 HIS 16 15.222 -3.629 5.034 111 HB3 HIS 16 HB3 HIS 16 13.648 -4.122 4.416 112 HD1 HIS 16 HD1 HIS 16 13.611 -6.592 4.535 113 HD2 HIS 16 HD2 HIS 16 17.240 -5.165 3.098 114 HE1 HIS 16 HE1 HIS 16 14.940 -8.635 3.920 115 H SER 17 H SER 17 13.966 -1.173 1.577 116 HA SER 17 HA SER 17 11.428 -2.516 0.984 117 HB2 SER 17 HB2 SER 17 10.530 -0.365 0.473 118 HB3 SER 17 HB3 SER 17 11.480 -0.164 1.945 119 HG SER 17 HG SER 17 12.120 0.616 -0.693 120 H CYS 18 H CYS 18 14.355 -1.369 -0.484 121 HA CYS 18 HA CYS 18 13.595 -1.160 -3.151 122 HB2 CYS 18 HB2 CYS 18 16.188 -1.945 -1.839 123 HB3 CYS 18 HB3 CYS 18 16.031 -1.878 -3.591 124 H CYS 19 H CYS 19 13.395 -2.580 -4.835 125 HA CYS 19 HA CYS 19 12.414 -5.126 -4.375 126 HB2 CYS 19 HB2 CYS 19 13.770 -4.128 -6.890 127 HB3 CYS 19 HB3 CYS 19 12.683 -5.511 -6.782 128 H ARG 20 H ARG 20 13.414 -7.155 -5.459 129 HA ARG 20 HA ARG 20 16.269 -7.337 -4.769 130 HB2 ARG 20 HB2 ARG 20 15.611 -9.764 -4.051 131 HB3 ARG 20 HB3 ARG 20 15.378 -8.424 -2.936 132 HG2 ARG 20 HG2 ARG 20 13.102 -8.501 -3.094 133 HG3 ARG 20 HG3 ARG 20 13.129 -9.169 -4.728 134 HD2 ARG 20 HD2 ARG 20 12.789 -11.184 -3.862 135 HD3 ARG 20 HD3 ARG 20 14.365 -11.076 -3.078 136 HE ARG 20 HE ARG 20 11.783 -10.777 -1.842 137 HH11 ARG 20 HH11 ARG 20 15.180 -10.054 -1.613 138 HH12 ARG 20 HH12 ARG 20 15.155 -9.850 0.106 139 HH21 ARG 20 HH21 ARG 20 11.737 -10.510 0.423 140 HH22 ARG 20 HH22 ARG 20 13.196 -10.111 1.265 141 H GLY 21 H GLY 21 17.354 -7.815 -6.560 142 HA2 GLY 21 HA2 GLY 21 16.089 -8.999 -8.845 143 HA3 GLY 21 HA3 GLY 21 17.789 -8.583 -8.693 144 H ASP 22 H ASP 22 18.458 -10.509 -9.664 145 HA ASP 22 HA ASP 22 17.818 -12.996 -8.250 146 HB2 ASP 22 HB2 ASP 22 17.574 -12.835 -10.763 147 HB3 ASP 22 HB3 ASP 22 19.328 -12.700 -10.850 148 H MET 23 H MET 23 20.716 -11.590 -9.792 149 HA MET 23 HA MET 23 22.338 -12.856 -7.694 150 HB2 MET 23 HB2 MET 23 23.084 -13.575 -9.816 151 HB3 MET 23 HB3 MET 23 22.972 -11.957 -10.496 152 HG2 MET 23 HG2 MET 23 24.996 -11.348 -9.733 153 HG3 MET 23 HG3 MET 23 24.822 -12.254 -8.232 154 HE1 MET 23 HE1 MET 23 27.529 -12.182 -9.228 155 HE2 MET 23 HE2 MET 23 28.096 -13.404 -10.368 156 HE3 MET 23 HE3 MET 23 27.217 -11.990 -10.953 157 H PHE 24 H PHE 24 21.436 -9.808 -9.092 158 HA PHE 24 HA PHE 24 23.236 -8.436 -7.204 159 HB2 PHE 24 HB2 PHE 24 22.867 -6.452 -8.835 160 HB3 PHE 24 HB3 PHE 24 23.977 -7.735 -9.304 161 HD1 PHE 24 HD1 PHE 24 20.678 -6.248 -9.893 162 HD2 PHE 24 HD2 PHE 24 23.482 -9.200 -11.132 163 HE1 PHE 24 HE1 PHE 24 19.400 -6.585 -11.968 164 HE2 PHE 24 HE2 PHE 24 22.210 -9.541 -13.210 165 HZ PHE 24 HZ PHE 24 20.166 -8.232 -13.630 166 H LYS 25 H LYS 25 22.260 -7.428 -5.587 167 HA LYS 25 HA LYS 25 19.390 -6.868 -5.790 168 HB2 LYS 25 HB2 LYS 25 21.246 -7.120 -3.424 169 HB3 LYS 25 HB3 LYS 25 19.585 -6.559 -3.282 170 HG2 LYS 25 HG2 LYS 25 18.720 -8.621 -3.569 171 HG3 LYS 25 HG3 LYS 25 19.975 -9.109 -4.710 172 HD2 LYS 25 HD2 LYS 25 21.539 -9.099 -2.663 173 HD3 LYS 25 HD3 LYS 25 20.052 -9.103 -1.711 174 HE2 LYS 25 HE2 LYS 25 20.437 -11.099 -3.903 175 HE3 LYS 25 HE3 LYS 25 21.202 -11.354 -2.336 176 HZ1 LYS 25 HZ1 LYS 25 18.850 -10.916 -1.428 177 HZ2 LYS 25 HZ2 LYS 25 19.187 -12.426 -2.113 178 HZ3 LYS 25 HZ3 LYS 25 18.333 -11.266 -3.001 179 H TYR 26 H TYR 26 18.531 -4.848 -5.396 180 HA TYR 26 HA TYR 26 20.260 -2.626 -5.956 181 HB2 TYR 26 HB2 TYR 26 17.366 -2.450 -5.134 182 HB3 TYR 26 HB3 TYR 26 18.286 -1.322 -6.122 183 HD1 TYR 26 HD2 TYR 26 19.601 -3.286 -7.974 184 HD2 TYR 26 HD1 TYR 26 15.594 -3.008 -6.574 185 HE1 TYR 26 HE2 TYR 26 18.818 -4.426 -10.008 186 HE2 TYR 26 HE1 TYR 26 14.800 -4.149 -8.604 187 HH TYR 26 HH TYR 26 15.863 -4.365 -11.128 188 H VAL 27 H VAL 27 21.186 -1.269 -4.563 189 HA VAL 27 HA VAL 27 20.454 -1.495 -1.720 190 HB VAL 27 HB VAL 27 22.667 -0.781 -1.150 191 HG11 VAL 27 HG11 VAL 27 22.117 -3.174 -2.270 192 HG12 VAL 27 HG12 VAL 27 23.435 -2.629 -3.310 193 HG13 VAL 27 HG13 VAL 27 23.679 -2.751 -1.567 194 HG21 VAL 27 HG21 VAL 27 23.059 0.887 -2.832 195 HG22 VAL 27 HG22 VAL 27 24.359 -0.303 -2.913 196 HG23 VAL 27 HG23 VAL 27 23.060 -0.334 -4.106 197 H CYS 28 H CYS 28 20.680 0.490 -0.421 198 HA CYS 28 HA CYS 28 19.420 2.712 -1.784 199 HB2 CYS 28 HB2 CYS 28 19.931 1.985 1.076 200 HB3 CYS 28 HB3 CYS 28 19.547 3.654 0.665 201 H ASP 29 H ASP 29 20.508 4.348 -2.631 202 HA ASP 29 HA ASP 29 23.102 5.084 -1.448 203 HB2 ASP 29 HB2 ASP 29 22.611 4.113 -4.072 204 HB3 ASP 29 HB3 ASP 29 23.032 5.818 -4.211 205 H CYS 30 H CYS 30 23.298 7.154 -0.882 206 HA CYS 30 HA CYS 30 21.159 9.001 -1.660 207 HB2 CYS 30 HB2 CYS 30 23.231 9.316 0.520 208 HB3 CYS 30 HB3 CYS 30 21.821 10.335 0.257 209 H PHE 31 H PHE 31 21.528 10.851 -2.768 210 HA PHE 31 HA PHE 31 24.269 11.725 -3.246 211 HB2 PHE 31 HB2 PHE 31 23.639 11.951 -5.741 212 HB3 PHE 31 HB3 PHE 31 24.079 10.356 -5.137 213 HD1 PHE 31 HD1 PHE 31 21.351 12.470 -6.345 214 HD2 PHE 31 HD2 PHE 31 22.441 8.599 -4.951 215 HE1 PHE 31 HE1 PHE 31 19.214 11.575 -7.173 216 HE2 PHE 31 HE2 PHE 31 20.307 7.697 -5.777 217 HZ PHE 31 HZ PHE 31 18.689 9.185 -6.889 218 H TYR 32 H TYR 32 24.162 13.772 -4.741 219 HA TYR 32 HA TYR 32 22.006 15.471 -3.674 220 HB2 TYR 32 HB2 TYR 32 24.689 16.416 -4.684 221 HB3 TYR 32 HB3 TYR 32 23.511 17.323 -3.741 222 HD1 TYR 32 HD1 TYR 32 23.191 16.815 -1.340 223 HD2 TYR 32 HD2 TYR 32 26.251 14.945 -3.630 224 HE1 TYR 32 HE1 TYR 32 24.319 16.134 0.737 225 HE2 TYR 32 HE2 TYR 32 27.388 14.258 -1.559 226 HH TYR 32 HH TYR 32 26.248 15.317 1.601 227 HA PRO 33 HA PRO 33 21.142 15.274 -8.185 228 HB2 PRO 33 HB2 PRO 33 18.449 15.451 -7.885 229 HB3 PRO 33 HB3 PRO 33 19.329 13.921 -7.776 230 HG2 PRO 33 HG2 PRO 33 18.335 15.696 -5.579 231 HG3 PRO 33 HG3 PRO 33 18.270 13.928 -5.705 232 HD2 PRO 33 HD2 PRO 33 20.127 15.216 -4.214 233 HD3 PRO 33 HD3 PRO 33 20.459 13.674 -5.030 234 H GLU 34 H GLU 34 22.243 17.477 -7.820 235 HA GLU 34 HA GLU 34 22.248 19.707 -8.266 236 HB2 GLU 34 HB2 GLU 34 20.449 18.811 -9.961 237 HB3 GLU 34 HB3 GLU 34 19.325 19.660 -8.910 238 HG2 GLU 34 HG2 GLU 34 19.780 21.537 -9.974 239 HG3 GLU 34 HG3 GLU 34 21.449 21.433 -9.415 240 H GLY 35 H GLY 35 21.576 18.687 -5.620 241 HA2 GLY 35 HA2 GLY 35 19.505 20.254 -4.462 242 HA3 GLY 35 HA3 GLY 35 20.779 19.414 -3.589 243 H GLU 36 H GLU 36 19.475 22.332 -3.943 244 HA GLU 36 HA GLU 36 21.594 24.087 -4.446 245 HB2 GLU 36 HB2 GLU 36 19.138 24.423 -2.720 246 HB3 GLU 36 HB3 GLU 36 20.241 25.734 -3.115 247 HG2 GLU 36 HG2 GLU 36 19.771 25.328 -5.518 248 HG3 GLU 36 HG3 GLU 36 18.559 24.144 -5.035 249 H ASP 37 H ASP 37 20.187 23.680 -1.209 250 HA ASP 37 HA ASP 37 22.864 24.058 -0.076 251 HB2 ASP 37 HB2 ASP 37 21.351 24.240 2.090 252 HB3 ASP 37 HB3 ASP 37 21.534 25.602 0.989 253 H LYS 38 H LYS 38 19.969 22.239 0.935 254 HA LYS 38 HA LYS 38 21.622 19.842 1.236 255 HB2 LYS 38 HB2 LYS 38 20.333 19.470 3.458 256 HB3 LYS 38 HB3 LYS 38 21.726 20.545 3.449 257 HG2 LYS 38 HG2 LYS 38 20.295 22.478 3.388 258 HG3 LYS 38 HG3 LYS 38 18.864 21.457 3.231 259 HD2 LYS 38 HD2 LYS 38 19.038 20.674 5.428 260 HD3 LYS 38 HD3 LYS 38 20.722 21.187 5.572 261 HE2 LYS 38 HE2 LYS 38 18.571 23.213 5.112 262 HE3 LYS 38 HE3 LYS 38 18.836 22.563 6.729 263 HZ1 LYS 38 HZ1 LYS 38 20.774 24.044 5.043 264 HZ2 LYS 38 HZ2 LYS 38 21.212 23.228 6.458 265 HZ3 LYS 38 HZ3 LYS 38 20.125 24.521 6.532 266 H THR 39 H THR 39 20.663 18.378 -0.004 267 HA THR 39 HA THR 39 17.924 17.645 0.445 268 HB THR 39 HB THR 39 18.602 18.549 -2.353 269 HG1 THR 39 HG1 THR 39 16.931 19.961 -0.545 270 HG21 THR 39 HG21 THR 39 16.131 18.472 -2.608 271 HG22 THR 39 HG22 THR 39 16.018 17.806 -0.979 272 HG23 THR 39 HG23 THR 39 16.842 16.899 -2.247 273 H GLU 40 H GLU 40 19.850 16.006 0.968 274 HA GLU 40 HA GLU 40 20.853 14.494 -1.229 275 HB2 GLU 40 HB2 GLU 40 21.574 12.882 0.490 276 HB3 GLU 40 HB3 GLU 40 22.037 14.530 0.892 277 HG2 GLU 40 HG2 GLU 40 21.194 14.067 2.900 278 HG3 GLU 40 HG3 GLU 40 19.628 14.327 2.134 279 H VAL 41 H VAL 41 19.768 13.112 -2.450 280 HA VAL 41 HA VAL 41 17.267 11.966 -1.426 281 HB VAL 41 HB VAL 41 18.284 12.184 -4.264 282 HG11 VAL 41 HG11 VAL 41 15.608 11.625 -4.404 283 HG12 VAL 41 HG12 VAL 41 16.911 10.457 -4.642 284 HG13 VAL 41 HG13 VAL 41 16.137 10.608 -3.063 285 HG21 VAL 41 HG21 VAL 41 16.299 13.747 -2.649 286 HG22 VAL 41 HG22 VAL 41 17.633 14.336 -3.642 287 HG23 VAL 41 HG23 VAL 41 16.189 13.676 -4.409 288 H CYS 42 H CYS 42 17.183 9.896 -0.871 289 HA CYS 42 HA CYS 42 19.394 8.137 -1.665 290 HB2 CYS 42 HB2 CYS 42 17.335 7.737 0.515 291 HB3 CYS 42 HB3 CYS 42 18.750 6.733 0.220 292 H SER 43 H SER 43 18.990 6.962 -3.415 293 HA SER 43 HA SER 43 16.328 5.725 -3.678 294 HB2 SER 43 HB2 SER 43 16.206 6.215 -5.932 295 HB3 SER 43 HB3 SER 43 17.078 7.634 -5.350 296 HG SER 43 HG SER 43 18.147 6.794 -7.135 297 H CYS 44 H CYS 44 16.470 3.845 -5.348 298 HA CYS 44 HA CYS 44 18.431 2.001 -4.314 299 HB2 CYS 44 HB2 CYS 44 16.330 1.563 -6.447 300 HB3 CYS 44 HB3 CYS 44 17.229 0.312 -5.593 301 H GLN 45 H GLN 45 20.322 1.515 -5.207 302 HA GLN 45 HA GLN 45 20.732 2.143 -8.055 303 HB2 GLN 45 HB2 GLN 45 22.601 2.591 -5.731 304 HB3 GLN 45 HB3 GLN 45 23.140 2.604 -7.405 305 HG2 GLN 45 HG2 GLN 45 20.846 4.340 -6.743 306 HG3 GLN 45 HG3 GLN 45 22.412 4.801 -6.077 307 HE21 GLN 45 HE21 GLN 45 20.388 5.077 -8.682 308 HE22 GLN 45 HE22 GLN 45 21.529 5.610 -9.866 309 H GLN 46 H GLN 46 22.341 0.847 -9.145 310 HA GLN 46 HA GLN 46 22.530 -1.848 -7.985 311 HB2 GLN 46 HB2 GLN 46 22.019 -0.826 -10.689 312 HB3 GLN 46 HB3 GLN 46 23.190 -2.135 -10.630 313 HG2 GLN 46 HG2 GLN 46 21.591 -3.548 -9.479 314 HG3 GLN 46 HG3 GLN 46 20.420 -2.231 -9.459 315 HE21 GLN 46 HE21 GLN 46 20.239 -1.241 -11.817 316 HE22 GLN 46 HE22 GLN 46 19.898 -2.417 -13.035 317 HA PRO 47 HA PRO 47 26.865 -0.353 -7.795 318 HB2 PRO 47 HB2 PRO 47 27.482 -1.791 -5.576 319 HB3 PRO 47 HB3 PRO 47 26.705 -0.204 -5.508 320 HG2 PRO 47 HG2 PRO 47 25.477 -2.925 -5.286 321 HG3 PRO 47 HG3 PRO 47 25.148 -1.469 -4.330 322 HD2 PRO 47 HD2 PRO 47 23.543 -2.275 -6.356 323 HD3 PRO 47 HD3 PRO 47 23.781 -0.563 -5.948 324 H LYS 48 H LYS 48 28.863 -1.921 -7.192 325 HA LYS 48 HA LYS 48 30.200 -3.598 -7.949 326 HB2 LYS 48 HB2 LYS 48 28.376 -4.863 -6.605 327 HB3 LYS 48 HB3 LYS 48 27.775 -5.356 -8.183 328 HG2 LYS 48 HG2 LYS 48 29.461 -6.801 -8.521 329 HG3 LYS 48 HG3 LYS 48 30.657 -5.751 -7.758 330 HD2 LYS 48 HD2 LYS 48 28.800 -6.653 -5.780 331 HD3 LYS 48 HD3 LYS 48 29.406 -8.044 -6.682 332 HE2 LYS 48 HE2 LYS 48 31.707 -7.289 -6.264 333 HE3 LYS 48 HE3 LYS 48 31.082 -5.931 -5.331 334 HZ1 LYS 48 HZ1 LYS 48 31.227 -7.283 -3.589 335 HZ2 LYS 48 HZ2 LYS 48 31.449 -8.659 -4.548 336 HZ3 LYS 48 HZ3 LYS 48 29.885 -8.105 -4.211 337 H SER 49 H SER 49 29.170 -1.805 -9.880 338 HA SER 49 HA SER 49 28.519 -3.439 -12.207 339 HB2 SER 49 HB2 SER 49 28.945 -0.585 -12.684 340 HB3 SER 49 HB3 SER 49 27.542 -1.589 -13.045 341 HG SER 49 HG SER 49 26.686 -1.117 -11.135 342 H HIS 50 H HIS 50 29.666 -2.718 -14.302 343 HA HIS 50 HA HIS 50 31.579 -2.875 -15.532 344 HB2 HIS 50 HB2 HIS 50 31.639 -0.490 -14.608 345 HB3 HIS 50 HB3 HIS 50 32.829 -1.084 -13.453 346 HD1 HIS 50 HD1 HIS 50 32.696 -2.052 -17.103 347 HD2 HIS 50 HD2 HIS 50 35.043 0.163 -14.487 348 HE1 HIS 50 HE1 HIS 50 34.751 -1.425 -18.410 349 H LYS 51 H LYS 51 31.573 -5.148 -14.579 350 HA LYS 51 HA LYS 51 34.251 -5.797 -13.829 351 HB2 LYS 51 HB2 LYS 51 32.659 -5.204 -11.688 352 HB3 LYS 51 HB3 LYS 51 32.424 -6.941 -11.827 353 HG2 LYS 51 HG2 LYS 51 35.016 -7.020 -11.944 354 HG3 LYS 51 HG3 LYS 51 34.915 -5.410 -11.225 355 HD2 LYS 51 HD2 LYS 51 33.952 -6.206 -9.270 356 HD3 LYS 51 HD3 LYS 51 33.380 -7.689 -10.037 357 HE2 LYS 51 HE2 LYS 51 36.310 -7.242 -9.944 358 HE3 LYS 51 HE3 LYS 51 35.502 -7.626 -8.424 359 HZ1 LYS 51 HZ1 LYS 51 35.536 -9.254 -10.902 360 HZ2 LYS 51 HZ2 LYS 51 34.523 -9.582 -9.589 361 HZ3 LYS 51 HZ3 LYS 51 36.202 -9.654 -9.400 362 H ILE 52 H ILE 52 32.222 -6.400 -15.877 363 HA ILE 52 HA ILE 52 32.766 -9.151 -16.200 364 HB ILE 52 HB ILE 52 31.047 -9.432 -14.481 365 HG12 ILE 52 HG12 ILE 52 29.950 -10.212 -17.188 366 HG13 ILE 52 HG13 ILE 52 31.282 -11.046 -16.395 367 HG21 ILE 52 HG21 ILE 52 29.103 -8.150 -16.386 368 HG22 ILE 52 HG22 ILE 52 28.814 -8.669 -14.727 369 HG23 ILE 52 HG23 ILE 52 29.859 -7.285 -15.047 370 HD11 ILE 52 HD11 ILE 52 29.374 -12.322 -15.941 371 HD12 ILE 52 HD12 ILE 52 29.692 -11.421 -14.457 372 HD13 ILE 52 HD13 ILE 52 28.411 -10.897 -15.551 373 H ALA 53 H ALA 53 32.564 -9.704 -18.299 374 HA ALA 53 HA ALA 53 32.269 -9.446 -20.543 375 HB1 ALA 53 HB1 ALA 53 30.058 -9.139 -21.291 376 HB2 ALA 53 HB2 ALA 53 29.915 -9.903 -19.708 377 HB3 ALA 53 HB3 ALA 53 29.629 -8.172 -19.879 378 H GLU 54 H GLU 54 34.006 -7.751 -20.249 379 HA GLU 54 HA GLU 54 33.177 -4.996 -20.457 380 HB2 GLU 54 HB2 GLU 54 35.534 -6.337 -19.723 381 HB3 GLU 54 HB3 GLU 54 35.935 -5.445 -21.185 382 HG2 GLU 54 HG2 GLU 54 34.931 -3.416 -20.076 383 HG3 GLU 54 HG3 GLU 54 34.889 -4.361 -18.589 384 H LYS 55 H LYS 55 32.188 -4.454 -22.308 385 HA LYS 55 HA LYS 55 33.305 -5.402 -24.850 386 HB2 LYS 55 HB2 LYS 55 31.216 -4.891 -25.855 387 HB3 LYS 55 HB3 LYS 55 30.846 -5.686 -24.330 388 HG2 LYS 55 HG2 LYS 55 29.411 -3.983 -24.083 389 HG3 LYS 55 HG3 LYS 55 30.845 -3.106 -23.543 390 HD2 LYS 55 HD2 LYS 55 31.184 -2.270 -25.824 391 HD3 LYS 55 HD3 LYS 55 29.740 -3.138 -26.353 392 HE2 LYS 55 HE2 LYS 55 28.335 -1.783 -24.982 393 HE3 LYS 55 HE3 LYS 55 29.725 -1.053 -24.180 394 HZ1 LYS 55 HZ1 LYS 55 28.421 -0.219 -26.526 395 HZ2 LYS 55 HZ2 LYS 55 30.016 -0.623 -26.915 396 HZ3 LYS 55 HZ3 LYS 55 29.704 0.525 -25.712 397 H ILE 56 H ILE 56 33.813 -3.965 -26.528 398 HA ILE 56 HA ILE 56 33.850 -1.109 -25.890 399 HB ILE 56 HB ILE 56 36.174 -0.876 -26.632 400 HG12 ILE 56 HG12 ILE 56 37.188 -3.485 -26.354 401 HG13 ILE 56 HG13 ILE 56 35.787 -3.628 -27.410 402 HG21 ILE 56 HG21 ILE 56 35.732 -2.780 -24.341 403 HG22 ILE 56 HG22 ILE 56 37.254 -1.948 -24.657 404 HG23 ILE 56 HG23 ILE 56 35.806 -1.020 -24.273 405 HD11 ILE 56 HD11 ILE 56 37.458 -1.383 -28.135 406 HD12 ILE 56 HD12 ILE 56 38.343 -2.909 -28.150 407 HD13 ILE 56 HD13 ILE 56 36.879 -2.729 -29.116 408 H ILE 57 H ILE 57 33.337 0.136 -27.583 409 HA ILE 57 HA ILE 57 32.365 -0.925 -29.968 410 HB ILE 57 HB ILE 57 33.359 1.885 -29.477 411 HG12 ILE 57 HG12 ILE 57 30.506 0.919 -29.382 412 HG13 ILE 57 HG13 ILE 57 31.535 0.912 -27.953 413 HG21 ILE 57 HG21 ILE 57 33.166 1.537 -31.826 414 HG22 ILE 57 HG22 ILE 57 31.613 0.724 -31.637 415 HG23 ILE 57 HG23 ILE 57 31.750 2.451 -31.311 416 HD11 ILE 57 HD11 ILE 57 31.294 3.430 -29.508 417 HD12 ILE 57 HD12 ILE 57 29.948 2.927 -28.485 418 HD13 ILE 57 HD13 ILE 57 31.544 3.184 -27.779 419 H ASP 58 H ASP 58 33.180 -1.147 -32.018 420 HA ASP 58 HA ASP 58 35.976 -1.620 -32.255 421 HB2 ASP 58 HB2 ASP 58 33.776 -2.502 -33.601 422 HB3 ASP 58 HB3 ASP 58 34.433 -1.341 -34.751 423 H LYS 59 H LYS 59 37.512 -0.172 -32.595 424 HA LYS 59 HA LYS 59 37.317 1.864 -34.567 425 HB2 LYS 59 HB2 LYS 59 37.550 3.810 -33.047 426 HB3 LYS 59 HB3 LYS 59 35.987 3.015 -32.908 427 HG2 LYS 59 HG2 LYS 59 36.428 2.207 -30.806 428 HG3 LYS 59 HG3 LYS 59 38.177 2.238 -31.043 429 HD2 LYS 59 HD2 LYS 59 38.180 4.143 -29.883 430 HD3 LYS 59 HD3 LYS 59 37.416 4.893 -31.287 431 HE2 LYS 59 HE2 LYS 59 35.839 3.507 -29.134 432 HE3 LYS 59 HE3 LYS 59 36.270 5.214 -29.038 433 HZ1 LYS 59 HZ1 LYS 59 34.047 4.831 -29.978 434 HZ2 LYS 59 HZ2 LYS 59 34.742 3.983 -31.267 435 HZ3 LYS 59 HZ3 LYS 59 35.073 5.629 -31.061 436 H ALA 60 H ALA 60 39.289 3.340 -34.471 437 HA ALA 60 HA ALA 60 41.536 2.720 -32.916 438 HB1 ALA 60 HB1 ALA 60 42.391 1.698 -35.458 439 HB2 ALA 60 HB2 ALA 60 42.477 0.947 -33.864 440 HB3 ALA 60 HB3 ALA 60 41.028 0.756 -34.852 441 H LYS 61 H LYS 61 43.385 3.942 -33.495 442 HA LYS 61 HA LYS 61 43.456 5.499 -35.896 443 HB2 LYS 61 HB2 LYS 61 41.804 6.583 -34.078 444 HB3 LYS 61 HB3 LYS 61 43.324 7.253 -33.505 445 HG2 LYS 61 HG2 LYS 61 43.052 7.511 -36.374 446 HG3 LYS 61 HG3 LYS 61 41.714 8.271 -35.509 447 HD2 LYS 61 HD2 LYS 61 43.691 9.204 -34.015 448 HD3 LYS 61 HD3 LYS 61 44.615 8.931 -35.493 449 HE2 LYS 61 HE2 LYS 61 42.462 10.171 -36.517 450 HE3 LYS 61 HE3 LYS 61 42.488 10.898 -34.912 451 HZ1 LYS 61 HZ1 LYS 61 44.739 11.617 -35.278 452 HZ2 LYS 61 HZ2 LYS 61 43.771 12.169 -36.550 453 HZ3 LYS 61 HZ3 LYS 61 44.795 10.843 -36.780 454 H THR 62 H THR 62 45.306 7.100 -35.822 455 HA THR 62 HA THR 62 47.303 6.803 -33.802 456 HB THR 62 HB THR 62 47.680 4.660 -34.875 457 HG1 THR 62 HG1 THR 62 49.844 4.937 -35.142 458 HG21 THR 62 HG21 THR 62 48.070 4.355 -37.170 459 HG22 THR 62 HG22 THR 62 48.319 6.079 -37.446 460 HG23 THR 62 HG23 THR 62 46.702 5.464 -37.105 461 H THR 63 H THR 63 49.083 8.203 -34.103 462 HA THR 63 HA THR 63 49.343 9.768 -36.499 463 HB THR 63 HB THR 63 47.449 10.938 -35.501 464 HG1 THR 63 HG1 THR 63 48.419 12.668 -36.215 465 HG21 THR 63 HG21 THR 63 48.785 10.378 -33.069 466 HG22 THR 63 HG22 THR 63 47.225 11.169 -33.298 467 HG23 THR 63 HG23 THR 63 48.700 12.133 -33.229 468 H LEU 64 H LEU 64 51.266 10.933 -36.579 469 HA LEU 64 HA LEU 64 53.449 11.372 -36.119 470 HB2 LEU 64 HB2 LEU 64 51.952 12.063 -33.793 471 HB3 LEU 64 HB3 LEU 64 53.502 11.391 -33.289 472 HG LEU 64 HG LEU 64 54.528 13.083 -34.940 473 HD11 LEU 64 HD11 LEU 64 52.347 13.640 -36.002 474 HD12 LEU 64 HD12 LEU 64 53.240 15.041 -35.414 475 HD13 LEU 64 HD13 LEU 64 51.867 14.423 -34.496 476 HD21 LEU 64 HD21 LEU 64 55.034 14.308 -33.134 477 HD22 LEU 64 HD22 LEU 64 54.067 13.125 -32.252 478 HD23 LEU 64 HD23 LEU 64 53.342 14.648 -32.769 Start of MODEL 11 1 H1 ALA 1 H ALA 1 2.504 2.144 -1.871 2 HA ALA 1 HA ALA 1 0.560 0.804 -3.402 3 HB1 ALA 1 HB1 ALA 1 3.449 1.200 -4.159 4 HB2 ALA 1 HB2 ALA 1 2.067 1.006 -5.239 5 HB3 ALA 1 HB3 ALA 1 2.223 2.465 -4.259 6 H LYS 2 H LYS 2 0.574 -1.235 -4.382 7 HA LYS 2 HA LYS 2 1.559 -3.350 -2.772 8 HB2 LYS 2 HB2 LYS 2 -0.512 -3.392 -4.228 9 HB3 LYS 2 HB3 LYS 2 0.558 -3.575 -5.612 10 HG2 LYS 2 HG2 LYS 2 1.440 -5.650 -4.630 11 HG3 LYS 2 HG3 LYS 2 0.304 -5.476 -3.290 12 HD2 LYS 2 HD2 LYS 2 -0.734 -6.971 -4.778 13 HD3 LYS 2 HD3 LYS 2 -1.526 -5.420 -5.065 14 HE2 LYS 2 HE2 LYS 2 0.171 -5.089 -6.936 15 HE3 LYS 2 HE3 LYS 2 0.553 -6.799 -6.744 16 HZ1 LYS 2 HZ1 LYS 2 -1.780 -5.546 -7.916 17 HZ2 LYS 2 HZ2 LYS 2 -2.112 -6.869 -6.917 18 HZ3 LYS 2 HZ3 LYS 2 -1.079 -7.049 -8.244 19 H ALA 3 H ALA 3 2.648 -1.879 -5.777 20 HA ALA 3 HA ALA 3 4.616 -3.815 -6.410 21 HB1 ALA 3 HB1 ALA 3 5.123 -2.499 -8.188 22 HB2 ALA 3 HB2 ALA 3 3.556 -1.795 -7.786 23 HB3 ALA 3 HB3 ALA 3 5.040 -1.007 -7.250 24 H CYS 4 H CYS 4 6.824 -3.841 -6.043 25 HA CYS 4 HA CYS 4 7.682 -2.689 -3.566 26 HB2 CYS 4 HB2 CYS 4 9.821 -3.830 -4.043 27 HB3 CYS 4 HB3 CYS 4 8.442 -4.910 -4.216 28 H THR 5 H THR 5 10.271 -1.987 -3.879 29 HA THR 5 HA THR 5 10.082 0.449 -5.522 30 HB THR 5 HB THR 5 11.892 -0.034 -3.149 31 HG1 THR 5 HG1 THR 5 9.844 0.113 -2.333 32 HG21 THR 5 HG21 THR 5 11.153 2.619 -4.341 33 HG22 THR 5 HG22 THR 5 12.501 1.679 -4.981 34 HG23 THR 5 HG23 THR 5 12.516 2.212 -3.300 35 HA PRO 6 HA PRO 6 13.260 -2.039 -7.710 36 HB2 PRO 6 HB2 PRO 6 12.659 -1.029 -10.158 37 HB3 PRO 6 HB3 PRO 6 11.783 -2.384 -9.438 38 HG2 PRO 6 HG2 PRO 6 11.034 0.513 -9.549 39 HG3 PRO 6 HG3 PRO 6 10.019 -0.917 -9.819 40 HD2 PRO 6 HD2 PRO 6 10.013 0.453 -7.484 41 HD3 PRO 6 HD3 PRO 6 9.738 -1.298 -7.563 42 H LEU 7 H LEU 7 14.607 -0.963 -9.763 43 HA LEU 7 HA LEU 7 16.274 0.962 -8.519 44 HB2 LEU 7 HB2 LEU 7 16.722 -0.829 -10.406 45 HB3 LEU 7 HB3 LEU 7 16.351 0.532 -11.463 46 HG LEU 7 HG LEU 7 18.189 1.634 -9.777 47 HD11 LEU 7 HD11 LEU 7 18.438 -1.207 -9.508 48 HD12 LEU 7 HD12 LEU 7 19.354 0.075 -8.717 49 HD13 LEU 7 HD13 LEU 7 19.879 -0.546 -10.282 50 HD21 LEU 7 HD21 LEU 7 18.292 0.391 -12.478 51 HD22 LEU 7 HD22 LEU 7 19.805 0.912 -11.733 52 HD23 LEU 7 HD23 LEU 7 18.505 2.076 -11.998 53 H LEU 8 H LEU 8 16.796 3.094 -9.329 54 HA LEU 8 HA LEU 8 16.273 5.214 -9.961 55 HB2 LEU 8 HB2 LEU 8 14.250 3.992 -11.820 56 HB3 LEU 8 HB3 LEU 8 15.043 5.559 -11.967 57 HG LEU 8 HG LEU 8 16.435 2.896 -12.233 58 HD11 LEU 8 HD11 LEU 8 16.527 3.439 -14.633 59 HD12 LEU 8 HD12 LEU 8 15.480 4.827 -14.341 60 HD13 LEU 8 HD13 LEU 8 14.878 3.193 -14.057 61 HD21 LEU 8 HD21 LEU 8 17.315 5.731 -12.285 62 HD22 LEU 8 HD22 LEU 8 18.068 4.610 -13.419 63 HD23 LEU 8 HD23 LEU 8 18.147 4.297 -11.685 64 H HIS 9 H HIS 9 14.795 3.832 -7.822 65 HA HIS 9 HA HIS 9 12.486 5.645 -7.731 66 HB2 HIS 9 HB2 HIS 9 12.491 2.704 -7.529 67 HB3 HIS 9 HB3 HIS 9 11.577 3.530 -6.270 68 HD1 HIS 9 HD1 HIS 9 9.651 5.184 -7.169 69 HD2 HIS 9 HD2 HIS 9 11.205 2.495 -9.926 70 HE1 HIS 9 HE1 HIS 9 7.983 5.111 -9.050 71 H ASP 10 H ASP 10 12.142 6.639 -5.803 72 HA ASP 10 HA ASP 10 14.215 6.902 -3.973 73 HB2 ASP 10 HB2 ASP 10 11.311 7.373 -3.303 74 HB3 ASP 10 HB3 ASP 10 12.721 8.195 -2.641 75 H CYS 11 H CYS 11 14.602 6.100 -1.915 76 HA CYS 11 HA CYS 11 12.914 3.902 -0.969 77 HB2 CYS 11 HB2 CYS 11 15.061 2.623 -0.440 78 HB3 CYS 11 HB3 CYS 11 14.567 2.673 -2.129 79 H SER 12 H SER 12 13.606 6.734 -0.183 80 HA SER 12 HA SER 12 15.226 6.853 2.060 81 HB2 SER 12 HB2 SER 12 14.354 8.876 1.080 82 HB3 SER 12 HB3 SER 12 12.696 8.386 1.427 83 HG SER 12 HG SER 12 12.981 9.446 3.216 84 H HIS 13 H HIS 13 12.045 5.512 1.693 85 HA HIS 13 HA HIS 13 11.192 5.501 4.358 86 HB2 HIS 13 HB2 HIS 13 10.599 3.719 2.008 87 HB3 HIS 13 HB3 HIS 13 9.895 3.401 3.590 88 HD1 HIS 13 HD1 HIS 13 10.118 6.332 1.168 89 HD2 HIS 13 HD2 HIS 13 7.526 4.648 3.944 90 HE1 HIS 13 HE1 HIS 13 8.019 7.711 1.050 91 H ASP 14 H ASP 14 13.070 3.099 2.539 92 HA ASP 14 HA ASP 14 14.438 2.253 4.906 93 HB2 ASP 14 HB2 ASP 14 12.046 0.844 4.120 94 HB3 ASP 14 HB3 ASP 14 13.447 -0.216 3.997 95 H ARG 15 H ARG 15 16.447 1.956 4.234 96 HA ARG 15 HA ARG 15 17.252 1.812 1.578 97 HB2 ARG 15 HB2 ARG 15 18.812 0.690 3.905 98 HB3 ARG 15 HB3 ARG 15 19.450 1.329 2.396 99 HG2 ARG 15 HG2 ARG 15 18.364 3.544 3.111 100 HG3 ARG 15 HG3 ARG 15 18.271 2.810 4.714 101 HD2 ARG 15 HD2 ARG 15 20.790 3.117 3.083 102 HD3 ARG 15 HD3 ARG 15 20.300 4.182 4.399 103 HE ARG 15 HE ARG 15 20.445 1.420 5.163 104 HH11 ARG 15 HH11 ARG 15 22.256 4.362 4.742 105 HH12 ARG 15 HH12 ARG 15 23.494 3.916 5.869 106 HH21 ARG 15 HH21 ARG 15 22.069 0.821 6.649 107 HH22 ARG 15 HH22 ARG 15 23.387 1.900 6.953 108 H HIS 16 H HIS 16 16.155 -0.677 3.710 109 HA HIS 16 HA HIS 16 17.029 -2.760 1.832 110 HB2 HIS 16 HB2 HIS 16 16.351 -2.740 4.736 111 HB3 HIS 16 HB3 HIS 16 16.058 -4.220 3.827 112 HD1 HIS 16 HD1 HIS 16 18.007 -4.905 5.716 113 HD2 HIS 16 HD2 HIS 16 19.161 -2.706 2.386 114 HE1 HIS 16 HE1 HIS 16 20.494 -5.229 5.524 115 H SER 17 H SER 17 14.767 -0.893 1.411 116 HA SER 17 HA SER 17 12.477 -2.719 1.520 117 HB2 SER 17 HB2 SER 17 12.016 -0.520 2.405 118 HB3 SER 17 HB3 SER 17 12.651 0.248 0.950 119 HG SER 17 HG SER 17 10.417 0.186 0.819 120 H CYS 18 H CYS 18 14.742 -1.303 -0.656 121 HA CYS 18 HA CYS 18 13.390 -1.305 -3.067 122 HB2 CYS 18 HB2 CYS 18 16.271 -1.974 -2.454 123 HB3 CYS 18 HB3 CYS 18 15.653 -1.783 -4.091 124 H CYS 19 H CYS 19 13.236 -2.821 -4.778 125 HA CYS 19 HA CYS 19 12.314 -5.337 -4.098 126 HB2 CYS 19 HB2 CYS 19 13.530 -4.505 -6.741 127 HB3 CYS 19 HB3 CYS 19 12.466 -5.884 -6.483 128 H ARG 20 H ARG 20 13.279 -7.428 -5.090 129 HA ARG 20 HA ARG 20 16.169 -7.544 -4.551 130 HB2 ARG 20 HB2 ARG 20 15.871 -9.659 -3.368 131 HB3 ARG 20 HB3 ARG 20 14.963 -8.373 -2.582 132 HG2 ARG 20 HG2 ARG 20 13.395 -10.014 -2.550 133 HG3 ARG 20 HG3 ARG 20 13.020 -9.290 -4.116 134 HD2 ARG 20 HD2 ARG 20 14.079 -11.010 -5.294 135 HD3 ARG 20 HD3 ARG 20 14.970 -11.554 -3.873 136 HE ARG 20 HE ARG 20 12.133 -11.805 -3.575 137 HH11 ARG 20 HH11 ARG 20 14.993 -13.312 -4.869 138 HH12 ARG 20 HH12 ARG 20 14.332 -14.912 -4.815 139 HH21 ARG 20 HH21 ARG 20 11.253 -13.907 -3.499 140 HH22 ARG 20 HH22 ARG 20 12.205 -15.251 -4.036 141 H GLY 21 H GLY 21 17.107 -9.690 -5.330 142 HA2 GLY 21 HA2 GLY 21 15.680 -10.800 -7.631 143 HA3 GLY 21 HA3 GLY 21 17.216 -10.006 -7.942 144 H ASP 22 H ASP 22 17.442 -12.349 -8.798 145 HA ASP 22 HA ASP 22 18.121 -14.269 -6.722 146 HB2 ASP 22 HB2 ASP 22 16.953 -14.716 -9.041 147 HB3 ASP 22 HB3 ASP 22 18.613 -14.769 -9.631 148 H MET 23 H MET 23 19.681 -12.042 -8.865 149 HA MET 23 HA MET 23 22.305 -13.236 -8.445 150 HB2 MET 23 HB2 MET 23 21.979 -12.448 -10.657 151 HB3 MET 23 HB3 MET 23 21.320 -10.916 -10.097 152 HG2 MET 23 HG2 MET 23 23.352 -10.001 -9.772 153 HG3 MET 23 HG3 MET 23 24.075 -11.522 -9.253 154 HE1 MET 23 HE1 MET 23 24.501 -9.446 -13.130 155 HE2 MET 23 HE2 MET 23 22.791 -9.751 -12.826 156 HE3 MET 23 HE3 MET 23 23.766 -8.912 -11.619 157 H PHE 24 H PHE 24 21.060 -9.902 -8.171 158 HA PHE 24 HA PHE 24 22.330 -9.666 -5.551 159 HB2 PHE 24 HB2 PHE 24 23.885 -8.887 -7.472 160 HB3 PHE 24 HB3 PHE 24 22.795 -7.509 -7.592 161 HD1 PHE 24 HD1 PHE 24 25.027 -9.330 -5.264 162 HD2 PHE 24 HD2 PHE 24 22.992 -5.694 -6.135 163 HE1 PHE 24 HE1 PHE 24 26.249 -8.213 -3.443 164 HE2 PHE 24 HE2 PHE 24 24.212 -4.572 -4.317 165 HZ PHE 24 HZ PHE 24 25.842 -5.831 -2.967 166 H LYS 25 H LYS 25 21.569 -7.869 -4.305 167 HA LYS 25 HA LYS 25 18.866 -7.054 -5.091 168 HB2 LYS 25 HB2 LYS 25 20.281 -7.235 -2.443 169 HB3 LYS 25 HB3 LYS 25 18.788 -6.322 -2.620 170 HG2 LYS 25 HG2 LYS 25 17.513 -8.192 -2.919 171 HG3 LYS 25 HG3 LYS 25 18.846 -9.125 -3.604 172 HD2 LYS 25 HD2 LYS 25 18.924 -8.271 -0.737 173 HD3 LYS 25 HD3 LYS 25 17.979 -9.683 -1.216 174 HE2 LYS 25 HE2 LYS 25 19.888 -10.816 -2.007 175 HE3 LYS 25 HE3 LYS 25 20.865 -9.348 -1.989 176 HZ1 LYS 25 HZ1 LYS 25 20.908 -11.192 -0.062 177 HZ2 LYS 25 HZ2 LYS 25 19.750 -10.133 0.569 178 HZ3 LYS 25 HZ3 LYS 25 21.298 -9.565 0.190 179 H TYR 26 H TYR 26 18.257 -4.948 -5.287 180 HA TYR 26 HA TYR 26 20.153 -3.027 -5.992 181 HB2 TYR 26 HB2 TYR 26 17.330 -2.506 -5.038 182 HB3 TYR 26 HB3 TYR 26 18.315 -1.441 -6.034 183 HD1 TYR 26 HD2 TYR 26 19.437 -3.298 -8.008 184 HD2 TYR 26 HD1 TYR 26 15.517 -3.103 -6.366 185 HE1 TYR 26 HE2 TYR 26 18.542 -4.363 -10.036 186 HE2 TYR 26 HE1 TYR 26 14.610 -4.168 -8.389 187 HH TYR 26 HH TYR 26 15.097 -4.673 -10.579 188 H VAL 27 H VAL 27 21.058 -1.291 -4.948 189 HA VAL 27 HA VAL 27 20.840 -1.320 -2.012 190 HB VAL 27 HB VAL 27 23.060 -0.081 -2.111 191 HG11 VAL 27 HG11 VAL 27 24.340 -2.116 -2.298 192 HG12 VAL 27 HG12 VAL 27 22.804 -2.468 -1.504 193 HG13 VAL 27 HG13 VAL 27 23.039 -2.893 -3.200 194 HG21 VAL 27 HG21 VAL 27 24.388 -0.321 -4.126 195 HG22 VAL 27 HG22 VAL 27 23.049 -1.130 -4.940 196 HG23 VAL 27 HG23 VAL 27 22.906 0.567 -4.482 197 H CYS 28 H CYS 28 20.251 0.476 -0.930 198 HA CYS 28 HA CYS 28 19.089 2.642 -2.391 199 HB2 CYS 28 HB2 CYS 28 18.344 1.657 -0.124 200 HB3 CYS 28 HB3 CYS 28 19.611 2.660 0.573 201 H ASP 29 H ASP 29 20.423 4.007 -3.413 202 HA ASP 29 HA ASP 29 22.819 4.969 -2.017 203 HB2 ASP 29 HB2 ASP 29 22.330 4.222 -4.697 204 HB3 ASP 29 HB3 ASP 29 22.590 5.964 -4.706 205 H CYS 30 H CYS 30 23.177 7.121 -1.613 206 HA CYS 30 HA CYS 30 20.878 8.910 -2.060 207 HB2 CYS 30 HB2 CYS 30 22.872 8.899 0.214 208 HB3 CYS 30 HB3 CYS 30 21.619 10.114 -0.016 209 H PHE 31 H PHE 31 21.224 10.900 -2.923 210 HA PHE 31 HA PHE 31 23.954 11.859 -3.281 211 HB2 PHE 31 HB2 PHE 31 23.771 12.126 -5.656 212 HB3 PHE 31 HB3 PHE 31 23.366 10.455 -5.282 213 HD1 PHE 31 HD2 PHE 31 21.101 9.636 -5.530 214 HD2 PHE 31 HD1 PHE 31 22.100 13.668 -6.459 215 HE1 PHE 31 HE2 PHE 31 18.967 9.885 -6.727 216 HE2 PHE 31 HE1 PHE 31 19.967 13.924 -7.658 217 HZ PHE 31 HZ PHE 31 18.398 12.031 -7.795 218 H TYR 32 H TYR 32 23.659 14.016 -4.776 219 HA TYR 32 HA TYR 32 21.394 15.530 -3.673 220 HB2 TYR 32 HB2 TYR 32 24.155 16.718 -3.852 221 HB3 TYR 32 HB3 TYR 32 22.760 17.320 -2.964 222 HD1 TYR 32 HD2 TYR 32 25.425 14.774 -2.997 223 HD2 TYR 32 HD1 TYR 32 22.258 16.529 -0.762 224 HE1 TYR 32 HE2 TYR 32 26.232 13.635 -0.971 225 HE2 TYR 32 HE1 TYR 32 23.056 15.396 1.270 226 HH TYR 32 HH TYR 32 25.604 14.441 1.964 227 HA PRO 33 HA PRO 33 20.872 17.113 -7.734 228 HB2 PRO 33 HB2 PRO 33 19.832 19.562 -7.199 229 HB3 PRO 33 HB3 PRO 33 18.922 18.064 -6.977 230 HG2 PRO 33 HG2 PRO 33 20.365 19.721 -4.945 231 HG3 PRO 33 HG3 PRO 33 18.773 18.948 -4.832 232 HD2 PRO 33 HD2 PRO 33 20.994 17.880 -3.710 233 HD3 PRO 33 HD3 PRO 33 19.671 16.881 -4.346 234 H GLU 34 H GLU 34 23.156 18.345 -5.616 235 HA GLU 34 HA GLU 34 25.069 19.540 -5.923 236 HB2 GLU 34 HB2 GLU 34 24.891 18.270 -8.208 237 HB3 GLU 34 HB3 GLU 34 24.483 19.858 -8.843 238 HG2 GLU 34 HG2 GLU 34 26.602 20.719 -7.865 239 HG3 GLU 34 HG3 GLU 34 27.016 19.062 -7.431 240 H GLY 35 H GLY 35 22.390 20.786 -5.529 241 HA2 GLY 35 HA2 GLY 35 23.231 23.525 -6.137 242 HA3 GLY 35 HA3 GLY 35 21.654 23.009 -6.716 243 H GLU 36 H GLU 36 20.476 21.709 -4.776 244 HA GLU 36 HA GLU 36 20.341 23.679 -2.609 245 HB2 GLU 36 HB2 GLU 36 18.386 21.679 -3.709 246 HB3 GLU 36 HB3 GLU 36 18.152 22.389 -2.118 247 HG2 GLU 36 HG2 GLU 36 18.095 24.609 -3.086 248 HG3 GLU 36 HG3 GLU 36 18.408 23.939 -4.685 249 H ASP 37 H ASP 37 21.908 23.050 -1.185 250 HA ASP 37 HA ASP 37 22.174 20.289 -0.378 251 HB2 ASP 37 HB2 ASP 37 23.521 22.824 0.571 252 HB3 ASP 37 HB3 ASP 37 23.890 21.223 1.205 253 H LYS 38 H LYS 38 19.658 20.771 0.159 254 HA LYS 38 HA LYS 38 19.546 21.316 3.054 255 HB2 LYS 38 HB2 LYS 38 18.205 22.706 1.166 256 HB3 LYS 38 HB3 LYS 38 17.041 21.424 1.477 257 HG2 LYS 38 HG2 LYS 38 18.177 22.700 3.870 258 HG3 LYS 38 HG3 LYS 38 17.164 23.734 2.859 259 HD2 LYS 38 HD2 LYS 38 15.462 21.837 2.912 260 HD3 LYS 38 HD3 LYS 38 16.433 21.153 4.218 261 HE2 LYS 38 HE2 LYS 38 15.168 23.892 4.197 262 HE3 LYS 38 HE3 LYS 38 14.577 22.488 5.086 263 HZ1 LYS 38 HZ1 LYS 38 15.816 23.286 6.743 264 HZ2 LYS 38 HZ2 LYS 38 16.716 24.300 5.733 265 HZ3 LYS 38 HZ3 LYS 38 17.147 22.673 5.897 266 H THR 39 H THR 39 18.802 19.121 0.481 267 HA THR 39 HA THR 39 18.098 17.079 2.437 268 HB THR 39 HB THR 39 16.333 17.364 0.021 269 HG1 THR 39 HG1 THR 39 16.063 19.290 1.183 270 HG21 THR 39 HG21 THR 39 16.458 15.240 1.389 271 HG22 THR 39 HG22 THR 39 14.850 15.947 1.223 272 HG23 THR 39 HG23 THR 39 15.755 16.157 2.721 273 H GLU 40 H GLU 40 18.549 14.987 1.774 274 HA GLU 40 HA GLU 40 20.123 14.799 -0.700 275 HB2 GLU 40 HB2 GLU 40 21.187 12.846 0.296 276 HB3 GLU 40 HB3 GLU 40 21.306 14.226 1.379 277 HG2 GLU 40 HG2 GLU 40 19.266 13.298 2.558 278 HG3 GLU 40 HG3 GLU 40 19.519 11.828 1.618 279 H VAL 41 H VAL 41 19.407 13.634 -2.359 280 HA VAL 41 HA VAL 41 16.874 12.258 -2.147 281 HB VAL 41 HB VAL 41 18.647 12.375 -4.580 282 HG11 VAL 41 HG11 VAL 41 17.002 11.013 -5.282 283 HG12 VAL 41 HG12 VAL 41 15.901 11.510 -3.995 284 HG13 VAL 41 HG13 VAL 41 16.081 12.509 -5.438 285 HG21 VAL 41 HG21 VAL 41 18.449 14.637 -4.057 286 HG22 VAL 41 HG22 VAL 41 17.114 14.355 -5.175 287 HG23 VAL 41 HG23 VAL 41 16.806 14.449 -3.441 288 H CYS 42 H CYS 42 16.694 10.197 -1.601 289 HA CYS 42 HA CYS 42 18.963 8.394 -2.120 290 HB2 CYS 42 HB2 CYS 42 16.797 8.225 -0.015 291 HB3 CYS 42 HB3 CYS 42 18.029 6.996 -0.283 292 H SER 43 H SER 43 18.653 7.103 -3.800 293 HA SER 43 HA SER 43 15.977 5.948 -4.210 294 HB2 SER 43 HB2 SER 43 16.153 6.214 -6.590 295 HB3 SER 43 HB3 SER 43 16.496 7.784 -5.862 296 HG SER 43 HG SER 43 17.982 6.612 -7.576 297 H CYS 44 H CYS 44 16.111 4.016 -5.751 298 HA CYS 44 HA CYS 44 18.078 2.202 -4.682 299 HB2 CYS 44 HB2 CYS 44 15.897 1.765 -6.735 300 HB3 CYS 44 HB3 CYS 44 16.873 0.494 -6.006 301 H GLN 45 H GLN 45 19.972 1.716 -5.563 302 HA GLN 45 HA GLN 45 20.341 2.123 -8.452 303 HB2 GLN 45 HB2 GLN 45 22.299 2.882 -6.278 304 HB3 GLN 45 HB3 GLN 45 22.624 2.956 -8.005 305 HG2 GLN 45 HG2 GLN 45 20.257 4.421 -6.991 306 HG3 GLN 45 HG3 GLN 45 21.852 5.069 -6.611 307 HE21 GLN 45 HE21 GLN 45 19.617 4.263 -9.163 308 HE22 GLN 45 HE22 GLN 45 20.377 5.204 -10.396 309 H GLN 46 H GLN 46 21.849 0.751 -9.466 310 HA GLN 46 HA GLN 46 22.327 -1.733 -7.985 311 HB2 GLN 46 HB2 GLN 46 22.754 -2.677 -10.291 312 HB3 GLN 46 HB3 GLN 46 21.111 -2.130 -9.985 313 HG2 GLN 46 HG2 GLN 46 21.589 -0.045 -11.173 314 HG3 GLN 46 HG3 GLN 46 23.227 -0.612 -11.495 315 HE21 GLN 46 HE21 GLN 46 19.849 -1.609 -11.905 316 HE22 GLN 46 HE22 GLN 46 20.069 -2.325 -13.461 317 HA PRO 47 HA PRO 47 26.681 -1.221 -7.854 318 HB2 PRO 47 HB2 PRO 47 27.537 -3.778 -8.181 319 HB3 PRO 47 HB3 PRO 47 26.765 -3.205 -6.698 320 HG2 PRO 47 HG2 PRO 47 25.579 -4.737 -8.978 321 HG3 PRO 47 HG3 PRO 47 25.349 -4.968 -7.236 322 HD2 PRO 47 HD2 PRO 47 23.540 -3.682 -8.787 323 HD3 PRO 47 HD3 PRO 47 23.812 -3.257 -7.085 324 H LYS 48 H LYS 48 25.422 -0.827 -10.486 325 HA LYS 48 HA LYS 48 27.611 -1.773 -12.219 326 HB2 LYS 48 HB2 LYS 48 24.699 -1.585 -12.618 327 HB3 LYS 48 HB3 LYS 48 25.663 -0.984 -13.960 328 HG2 LYS 48 HG2 LYS 48 26.229 -3.662 -12.754 329 HG3 LYS 48 HG3 LYS 48 24.943 -3.455 -13.946 330 HD2 LYS 48 HD2 LYS 48 26.430 -2.866 -15.632 331 HD3 LYS 48 HD3 LYS 48 27.697 -2.411 -14.490 332 HE2 LYS 48 HE2 LYS 48 28.544 -4.470 -14.493 333 HE3 LYS 48 HE3 LYS 48 26.962 -5.189 -14.191 334 HZ1 LYS 48 HZ1 LYS 48 26.562 -4.772 -16.662 335 HZ2 LYS 48 HZ2 LYS 48 27.596 -6.043 -16.239 336 HZ3 LYS 48 HZ3 LYS 48 28.239 -4.575 -16.782 337 H SER 49 H SER 49 28.872 0.060 -11.512 338 HA SER 49 HA SER 49 28.218 2.463 -13.054 339 HB2 SER 49 HB2 SER 49 28.102 2.313 -10.214 340 HB3 SER 49 HB3 SER 49 29.503 3.295 -10.642 341 HG SER 49 HG SER 49 28.194 4.825 -11.211 342 H HIS 50 H HIS 50 29.866 2.998 -14.314 343 HA HIS 50 HA HIS 50 32.542 3.181 -13.473 344 HB2 HIS 50 HB2 HIS 50 33.489 1.340 -14.897 345 HB3 HIS 50 HB3 HIS 50 32.610 0.783 -13.476 346 HD1 HIS 50 HD1 HIS 50 30.040 0.017 -14.012 347 HD2 HIS 50 HD2 HIS 50 32.675 0.197 -17.219 348 HE1 HIS 50 HE1 HIS 50 28.979 -1.357 -15.832 349 H LYS 51 H LYS 51 33.532 4.586 -14.776 350 HA LYS 51 HA LYS 51 33.030 4.639 -17.617 351 HB2 LYS 51 HB2 LYS 51 32.332 7.026 -17.628 352 HB3 LYS 51 HB3 LYS 51 31.145 5.956 -16.892 353 HG2 LYS 51 HG2 LYS 51 31.194 7.111 -15.006 354 HG3 LYS 51 HG3 LYS 51 32.947 6.947 -14.892 355 HD2 LYS 51 HD2 LYS 51 33.338 8.951 -15.963 356 HD3 LYS 51 HD3 LYS 51 31.785 8.927 -16.800 357 HE2 LYS 51 HE2 LYS 51 30.620 9.491 -14.784 358 HE3 LYS 51 HE3 LYS 51 32.087 9.302 -13.824 359 HZ1 LYS 51 HZ1 LYS 51 31.153 11.621 -14.957 360 HZ2 LYS 51 HZ2 LYS 51 32.460 11.176 -15.932 361 HZ3 LYS 51 HZ3 LYS 51 32.679 11.380 -14.267 362 H ILE 52 H ILE 52 35.370 4.018 -16.762 363 HA ILE 52 HA ILE 52 37.587 4.533 -16.701 364 HB ILE 52 HB ILE 52 36.807 7.048 -18.173 365 HG12 ILE 52 HG12 ILE 52 37.542 5.342 -20.131 366 HG13 ILE 52 HG13 ILE 52 36.806 4.203 -19.009 367 HG21 ILE 52 HG21 ILE 52 39.000 7.411 -18.143 368 HG22 ILE 52 HG22 ILE 52 39.312 5.830 -17.427 369 HG23 ILE 52 HG23 ILE 52 39.180 5.994 -19.178 370 HD11 ILE 52 HD11 ILE 52 35.142 6.524 -19.344 371 HD12 ILE 52 HD12 ILE 52 35.520 5.782 -20.899 372 HD13 ILE 52 HD13 ILE 52 34.774 4.822 -19.622 373 H ALA 53 H ALA 53 37.060 4.891 -14.330 374 HA ALA 53 HA ALA 53 38.465 7.175 -13.421 375 HB1 ALA 53 HB1 ALA 53 35.472 7.213 -13.105 376 HB2 ALA 53 HB2 ALA 53 36.563 8.173 -12.105 377 HB3 ALA 53 HB3 ALA 53 36.504 8.436 -13.848 378 H GLU 54 H GLU 54 38.378 4.271 -13.109 379 HA GLU 54 HA GLU 54 37.658 3.942 -10.292 380 HB2 GLU 54 HB2 GLU 54 37.259 2.275 -12.380 381 HB3 GLU 54 HB3 GLU 54 38.805 1.669 -11.801 382 HG2 GLU 54 HG2 GLU 54 37.382 0.370 -10.593 383 HG3 GLU 54 HG3 GLU 54 37.594 1.717 -9.476 384 H LYS 55 H LYS 55 39.821 5.624 -10.748 385 HA LYS 55 HA LYS 55 42.236 4.066 -10.282 386 HB2 LYS 55 HB2 LYS 55 41.875 7.064 -10.441 387 HB3 LYS 55 HB3 LYS 55 43.408 6.204 -10.417 388 HG2 LYS 55 HG2 LYS 55 42.841 5.149 -12.555 389 HG3 LYS 55 HG3 LYS 55 41.318 6.042 -12.581 390 HD2 LYS 55 HD2 LYS 55 43.651 7.744 -12.149 391 HD3 LYS 55 HD3 LYS 55 43.693 6.877 -13.688 392 HE2 LYS 55 HE2 LYS 55 41.547 7.766 -14.305 393 HE3 LYS 55 HE3 LYS 55 41.343 8.496 -12.714 394 HZ1 LYS 55 HZ1 LYS 55 43.195 9.958 -13.169 395 HZ2 LYS 55 HZ2 LYS 55 42.031 10.114 -14.386 396 HZ3 LYS 55 HZ3 LYS 55 43.445 9.234 -14.678 397 H ILE 56 H ILE 56 43.746 5.194 -8.552 398 HA ILE 56 HA ILE 56 42.549 4.701 -6.030 399 HB ILE 56 HB ILE 56 44.954 4.329 -6.501 400 HG12 ILE 56 HG12 ILE 56 45.782 5.220 -4.341 401 HG13 ILE 56 HG13 ILE 56 44.353 6.242 -4.234 402 HG21 ILE 56 HG21 ILE 56 44.904 6.860 -7.544 403 HG22 ILE 56 HG22 ILE 56 45.731 7.098 -6.006 404 HG23 ILE 56 HG23 ILE 56 46.359 5.935 -7.174 405 HD11 ILE 56 HD11 ILE 56 44.587 3.804 -3.101 406 HD12 ILE 56 HD12 ILE 56 43.054 4.558 -3.539 407 HD13 ILE 56 HD13 ILE 56 43.805 3.390 -4.626 408 H ILE 57 H ILE 57 41.753 6.049 -4.507 409 HA ILE 57 HA ILE 57 41.842 8.942 -5.057 410 HB ILE 57 HB ILE 57 39.466 7.432 -3.962 411 HG12 ILE 57 HG12 ILE 57 38.958 8.870 -6.395 412 HG13 ILE 57 HG13 ILE 57 40.323 7.787 -6.636 413 HG21 ILE 57 HG21 ILE 57 39.840 10.346 -4.635 414 HG22 ILE 57 HG22 ILE 57 38.306 9.597 -4.196 415 HG23 ILE 57 HG23 ILE 57 39.626 9.654 -3.028 416 HD11 ILE 57 HD11 ILE 57 38.833 5.987 -5.602 417 HD12 ILE 57 HD12 ILE 57 37.507 7.116 -5.883 418 HD13 ILE 57 HD13 ILE 57 38.467 6.527 -7.240 419 H ASP 58 H ASP 58 40.684 6.783 -2.462 420 HA ASP 58 HA ASP 58 42.669 7.522 -0.602 421 HB2 ASP 58 HB2 ASP 58 41.143 9.643 -0.882 422 HB3 ASP 58 HB3 ASP 58 40.045 8.745 0.162 423 H LYS 59 H LYS 59 42.738 5.412 0.001 424 HA LYS 59 HA LYS 59 40.407 4.410 1.480 425 HB2 LYS 59 HB2 LYS 59 42.018 2.898 -0.578 426 HB3 LYS 59 HB3 LYS 59 40.957 2.112 0.582 427 HG2 LYS 59 HG2 LYS 59 39.154 3.721 -0.370 428 HG3 LYS 59 HG3 LYS 59 40.262 3.854 -1.737 429 HD2 LYS 59 HD2 LYS 59 40.164 1.142 -1.284 430 HD3 LYS 59 HD3 LYS 59 38.509 1.659 -0.951 431 HE2 LYS 59 HE2 LYS 59 38.153 2.366 -3.106 432 HE3 LYS 59 HE3 LYS 59 39.862 2.686 -3.397 433 HZ1 LYS 59 HZ1 LYS 59 38.528 0.038 -3.311 434 HZ2 LYS 59 HZ2 LYS 59 40.205 0.242 -3.375 435 HZ3 LYS 59 HZ3 LYS 59 39.238 0.784 -4.653 436 H ALA 60 H ALA 60 41.966 5.418 3.120 437 HA ALA 60 HA ALA 60 44.276 3.799 3.776 438 HB1 ALA 60 HB1 ALA 60 43.547 5.671 5.835 439 HB2 ALA 60 HB2 ALA 60 44.983 5.631 4.813 440 HB3 ALA 60 HB3 ALA 60 43.525 6.448 4.252 441 H LYS 61 H LYS 61 40.993 4.278 4.915 442 HA LYS 61 HA LYS 61 40.948 1.770 6.241 443 HB2 LYS 61 HB2 LYS 61 40.563 2.628 8.543 444 HB3 LYS 61 HB3 LYS 61 42.204 2.895 7.966 445 HG2 LYS 61 HG2 LYS 61 41.992 5.138 7.992 446 HG3 LYS 61 HG3 LYS 61 40.300 5.094 7.492 447 HD2 LYS 61 HD2 LYS 61 39.623 4.470 9.734 448 HD3 LYS 61 HD3 LYS 61 41.309 4.397 10.250 449 HE2 LYS 61 HE2 LYS 61 40.662 6.939 9.018 450 HE3 LYS 61 HE3 LYS 61 39.615 6.594 10.394 451 HZ1 LYS 61 HZ1 LYS 61 41.885 7.767 10.748 452 HZ2 LYS 61 HZ2 LYS 61 42.514 6.200 10.660 453 HZ3 LYS 61 HZ3 LYS 61 41.371 6.587 11.846 454 H THR 62 H THR 62 38.850 1.310 7.214 455 HA THR 62 HA THR 62 36.734 3.158 6.332 456 HB THR 62 HB THR 62 35.905 0.367 6.300 457 HG1 THR 62 HG1 THR 62 37.902 -0.145 5.514 458 HG21 THR 62 HG21 THR 62 35.199 1.088 3.965 459 HG22 THR 62 HG22 THR 62 35.826 2.684 4.379 460 HG23 THR 62 HG23 THR 62 34.499 1.989 5.309 461 H THR 63 H THR 63 34.589 2.618 7.377 462 HA THR 63 HA THR 63 34.858 2.719 10.178 463 HB THR 63 HB THR 63 32.250 1.895 8.993 464 HG1 THR 63 HG1 THR 63 32.500 3.405 7.513 465 HG21 THR 63 HG21 THR 63 32.089 4.245 10.542 466 HG22 THR 63 HG22 THR 63 33.216 3.171 11.371 467 HG23 THR 63 HG23 THR 63 31.586 2.617 10.993 468 H LEU 64 H LEU 64 34.775 1.199 11.732 469 HA LEU 64 HA LEU 64 34.894 -1.575 10.929 470 HB2 LEU 64 HB2 LEU 64 36.304 -0.381 12.732 471 HB3 LEU 64 HB3 LEU 64 34.890 -0.596 13.761 472 HG LEU 64 HG LEU 64 36.242 -2.907 12.393 473 HD11 LEU 64 HD11 LEU 64 36.784 -2.499 15.244 474 HD12 LEU 64 HD12 LEU 64 37.552 -1.328 14.172 475 HD13 LEU 64 HD13 LEU 64 37.847 -3.053 13.950 476 HD21 LEU 64 HD21 LEU 64 34.387 -3.880 13.186 477 HD22 LEU 64 HD22 LEU 64 34.019 -2.530 14.259 478 HD23 LEU 64 HD23 LEU 64 35.179 -3.763 14.757 Start of MODEL 12 1 H1 ALA 1 H ALA 1 0.844 -7.974 -2.455 2 HA ALA 1 HA ALA 1 -1.400 -6.833 -3.377 3 HB1 ALA 1 HB1 ALA 1 0.170 -6.400 -0.901 4 HB2 ALA 1 HB2 ALA 1 -1.146 -5.274 -1.237 5 HB3 ALA 1 HB3 ALA 1 -1.474 -7.003 -1.113 6 H LYS 2 H LYS 2 1.721 -5.233 -3.127 7 HA LYS 2 HA LYS 2 0.737 -3.118 -4.881 8 HB2 LYS 2 HB2 LYS 2 1.656 -1.339 -3.506 9 HB3 LYS 2 HB3 LYS 2 0.465 -2.251 -2.587 10 HG2 LYS 2 HG2 LYS 2 2.213 -3.419 -1.403 11 HG3 LYS 2 HG3 LYS 2 3.446 -2.627 -2.386 12 HD2 LYS 2 HD2 LYS 2 2.343 -0.436 -1.500 13 HD3 LYS 2 HD3 LYS 2 1.712 -1.488 -0.232 14 HE2 LYS 2 HE2 LYS 2 4.618 -1.132 -0.959 15 HE3 LYS 2 HE3 LYS 2 3.812 -0.437 0.446 16 HZ1 LYS 2 HZ1 LYS 2 4.393 -3.287 -0.101 17 HZ2 LYS 2 HZ2 LYS 2 3.272 -2.809 1.073 18 HZ3 LYS 2 HZ3 LYS 2 4.893 -2.349 1.216 19 H ALA 3 H ALA 3 2.477 -1.868 -5.868 20 HA ALA 3 HA ALA 3 4.575 -3.504 -6.791 21 HB1 ALA 3 HB1 ALA 3 4.288 -0.507 -6.964 22 HB2 ALA 3 HB2 ALA 3 5.404 -1.491 -7.910 23 HB3 ALA 3 HB3 ALA 3 3.665 -1.682 -8.122 24 H CYS 4 H CYS 4 6.890 -3.085 -6.606 25 HA CYS 4 HA CYS 4 7.598 -2.395 -3.848 26 HB2 CYS 4 HB2 CYS 4 9.704 -3.594 -4.303 27 HB3 CYS 4 HB3 CYS 4 8.296 -4.606 -4.607 28 H THR 5 H THR 5 10.227 -1.785 -4.041 29 HA THR 5 HA THR 5 10.183 0.749 -5.537 30 HB THR 5 HB THR 5 11.906 0.054 -3.151 31 HG1 THR 5 HG1 THR 5 9.912 0.259 -2.296 32 HG21 THR 5 HG21 THR 5 11.313 2.842 -3.992 33 HG22 THR 5 HG22 THR 5 12.463 1.922 -4.962 34 HG23 THR 5 HG23 THR 5 12.760 2.170 -3.242 35 HA PRO 6 HA PRO 6 13.324 -1.724 -7.789 36 HB2 PRO 6 HB2 PRO 6 12.849 -0.528 -10.181 37 HB3 PRO 6 HB3 PRO 6 11.893 -1.887 -9.580 38 HG2 PRO 6 HG2 PRO 6 11.272 1.041 -9.518 39 HG3 PRO 6 HG3 PRO 6 10.207 -0.320 -9.913 40 HD2 PRO 6 HD2 PRO 6 10.184 0.893 -7.493 41 HD3 PRO 6 HD3 PRO 6 9.835 -0.835 -7.698 42 H LEU 7 H LEU 7 14.751 -0.546 -9.756 43 HA LEU 7 HA LEU 7 16.494 1.179 -8.337 44 HB2 LEU 7 HB2 LEU 7 16.973 -0.446 -10.292 45 HB3 LEU 7 HB3 LEU 7 16.501 0.907 -11.319 46 HG LEU 7 HG LEU 7 18.386 1.977 -9.572 47 HD11 LEU 7 HD11 LEU 7 19.446 0.147 -8.775 48 HD12 LEU 7 HD12 LEU 7 20.264 0.228 -10.335 49 HD13 LEU 7 HD13 LEU 7 18.912 -0.880 -10.106 50 HD21 LEU 7 HD21 LEU 7 18.717 2.813 -11.619 51 HD22 LEU 7 HD22 LEU 7 18.101 1.365 -12.412 52 HD23 LEU 7 HD23 LEU 7 19.777 1.426 -11.867 53 H LEU 8 H LEU 8 17.059 3.358 -8.813 54 HA LEU 8 HA LEU 8 16.651 5.551 -9.262 55 HB2 LEU 8 HB2 LEU 8 14.608 4.674 -11.278 56 HB3 LEU 8 HB3 LEU 8 15.562 6.155 -11.261 57 HG LEU 8 HG LEU 8 16.816 3.450 -11.643 58 HD11 LEU 8 HD11 LEU 8 15.848 3.295 -13.633 59 HD12 LEU 8 HD12 LEU 8 16.733 4.743 -14.108 60 HD13 LEU 8 HD13 LEU 8 15.099 4.882 -13.460 61 HD21 LEU 8 HD21 LEU 8 18.397 5.096 -12.948 62 HD22 LEU 8 HD22 LEU 8 18.528 4.905 -11.199 63 HD23 LEU 8 HD23 LEU 8 17.672 6.293 -11.873 64 H HIS 9 H HIS 9 15.147 4.134 -7.249 65 HA HIS 9 HA HIS 9 12.847 5.949 -7.080 66 HB2 HIS 9 HB2 HIS 9 12.837 2.976 -6.909 67 HB3 HIS 9 HB3 HIS 9 11.789 3.857 -5.802 68 HD1 HIS 9 HD1 HIS 9 9.786 5.130 -6.825 69 HD2 HIS 9 HD2 HIS 9 12.077 3.057 -9.602 70 HE1 HIS 9 HE1 HIS 9 8.418 5.096 -8.934 71 H ASP 10 H ASP 10 12.497 6.829 -5.100 72 HA ASP 10 HA ASP 10 14.528 7.026 -3.249 73 HB2 ASP 10 HB2 ASP 10 11.595 7.286 -2.572 74 HB3 ASP 10 HB3 ASP 10 12.950 8.086 -1.781 75 H CYS 11 H CYS 11 15.069 6.024 -1.350 76 HA CYS 11 HA CYS 11 13.533 3.627 -0.610 77 HB2 CYS 11 HB2 CYS 11 15.524 2.338 -0.322 78 HB3 CYS 11 HB3 CYS 11 15.617 3.072 -1.920 79 H SER 12 H SER 12 14.140 6.532 0.387 80 HA SER 12 HA SER 12 15.439 6.320 2.871 81 HB2 SER 12 HB2 SER 12 15.021 8.476 1.752 82 HB3 SER 12 HB3 SER 12 13.291 8.281 2.025 83 HG SER 12 HG SER 12 13.828 9.408 3.755 84 H HIS 13 H HIS 13 12.289 5.392 1.848 85 HA HIS 13 HA HIS 13 10.986 5.470 4.372 86 HB2 HIS 13 HB2 HIS 13 10.410 3.962 1.821 87 HB3 HIS 13 HB3 HIS 13 9.379 3.852 3.245 88 HD1 HIS 13 HD1 HIS 13 10.951 7.005 1.850 89 HD2 HIS 13 HD2 HIS 13 7.213 5.273 2.389 90 HE1 HIS 13 HE1 HIS 13 9.289 8.781 1.211 91 H ASP 14 H ASP 14 12.731 2.952 2.602 92 HA ASP 14 HA ASP 14 13.444 1.613 5.019 93 HB2 ASP 14 HB2 ASP 14 11.099 0.687 3.506 94 HB3 ASP 14 HB3 ASP 14 12.290 -0.570 3.833 95 H ARG 15 H ARG 15 15.431 0.889 4.676 96 HA ARG 15 HA ARG 15 16.631 0.833 2.127 97 HB2 ARG 15 HB2 ARG 15 18.530 -0.292 3.320 98 HB3 ARG 15 HB3 ARG 15 18.008 1.226 4.039 99 HG2 ARG 15 HG2 ARG 15 16.679 -1.140 5.134 100 HG3 ARG 15 HG3 ARG 15 18.424 -1.089 5.399 101 HD2 ARG 15 HD2 ARG 15 16.876 1.391 5.912 102 HD3 ARG 15 HD3 ARG 15 16.697 0.063 7.059 103 HE ARG 15 HE ARG 15 18.976 1.761 6.730 104 HH11 ARG 15 HH11 ARG 15 17.930 -1.415 7.700 105 HH12 ARG 15 HH12 ARG 15 19.291 -1.689 8.736 106 HH21 ARG 15 HH21 ARG 15 20.773 1.412 8.091 107 HH22 ARG 15 HH22 ARG 15 20.907 -0.080 8.959 108 H HIS 16 H HIS 16 14.816 -1.506 3.875 109 HA HIS 16 HA HIS 16 15.751 -3.684 2.153 110 HB2 HIS 16 HB2 HIS 16 14.463 -5.153 3.676 111 HB3 HIS 16 HB3 HIS 16 15.675 -4.200 4.527 112 HD1 HIS 16 HD1 HIS 16 14.816 -2.332 6.113 113 HD2 HIS 16 HD2 HIS 16 11.815 -4.606 4.355 114 HE1 HIS 16 HE1 HIS 16 12.723 -1.793 7.398 115 H SER 17 H SER 17 13.627 -1.309 1.845 116 HA SER 17 HA SER 17 11.280 -2.785 1.049 117 HB2 SER 17 HB2 SER 17 10.917 -0.601 1.979 118 HB3 SER 17 HB3 SER 17 12.031 0.136 0.827 119 HG SER 17 HG SER 17 9.818 0.410 0.243 120 H CYS 18 H CYS 18 14.132 -1.501 -0.459 121 HA CYS 18 HA CYS 18 13.347 -1.278 -3.104 122 HB2 CYS 18 HB2 CYS 18 15.967 -2.117 -1.873 123 HB3 CYS 18 HB3 CYS 18 15.768 -1.932 -3.612 124 H CYS 19 H CYS 19 13.126 -2.664 -4.813 125 HA CYS 19 HA CYS 19 12.151 -5.215 -4.403 126 HB2 CYS 19 HB2 CYS 19 13.517 -4.179 -6.896 127 HB3 CYS 19 HB3 CYS 19 12.430 -5.561 -6.815 128 H ARG 20 H ARG 20 13.137 -7.238 -5.486 129 HA ARG 20 HA ARG 20 15.997 -7.437 -4.826 130 HB2 ARG 20 HB2 ARG 20 15.432 -9.804 -4.022 131 HB3 ARG 20 HB3 ARG 20 15.000 -8.465 -2.967 132 HG2 ARG 20 HG2 ARG 20 12.946 -9.403 -4.882 133 HG3 ARG 20 HG3 ARG 20 13.328 -10.447 -3.512 134 HD2 ARG 20 HD2 ARG 20 12.582 -8.911 -1.963 135 HD3 ARG 20 HD3 ARG 20 12.832 -7.542 -3.046 136 HE ARG 20 HE ARG 20 10.778 -9.363 -3.913 137 HH11 ARG 20 HH11 ARG 20 11.508 -6.572 -1.964 138 HH12 ARG 20 HH12 ARG 20 9.885 -5.968 -1.988 139 HH21 ARG 20 HH21 ARG 20 8.637 -8.578 -3.952 140 HH22 ARG 20 HH22 ARG 20 8.252 -7.110 -3.119 141 H GLY 21 H GLY 21 17.142 -9.142 -5.922 142 HA2 GLY 21 HA2 GLY 21 15.752 -10.330 -8.217 143 HA3 GLY 21 HA3 GLY 21 17.159 -9.323 -8.524 144 H ASP 22 H ASP 22 17.125 -11.920 -9.382 145 HA ASP 22 HA ASP 22 18.457 -13.608 -7.453 146 HB2 ASP 22 HB2 ASP 22 16.887 -14.472 -9.221 147 HB3 ASP 22 HB3 ASP 22 18.120 -14.084 -10.418 148 H MET 23 H MET 23 19.371 -11.240 -9.720 149 HA MET 23 HA MET 23 22.065 -12.280 -10.067 150 HB2 MET 23 HB2 MET 23 20.827 -9.704 -11.054 151 HB3 MET 23 HB3 MET 23 22.409 -10.324 -11.510 152 HG2 MET 23 HG2 MET 23 21.410 -12.211 -12.612 153 HG3 MET 23 HG3 MET 23 19.809 -11.741 -12.043 154 HE1 MET 23 HE1 MET 23 18.502 -11.567 -13.643 155 HE2 MET 23 HE2 MET 23 18.308 -10.102 -14.606 156 HE3 MET 23 HE3 MET 23 19.077 -11.526 -15.310 157 H PHE 24 H PHE 24 20.773 -9.102 -9.079 158 HA PHE 24 HA PHE 24 22.690 -9.054 -6.870 159 HB2 PHE 24 HB2 PHE 24 22.393 -6.725 -8.771 160 HB3 PHE 24 HB3 PHE 24 23.529 -6.875 -7.435 161 HD1 PHE 24 HD2 PHE 24 25.374 -8.557 -7.589 162 HD2 PHE 24 HD1 PHE 24 22.902 -7.559 -10.907 163 HE1 PHE 24 HE2 PHE 24 27.050 -9.508 -9.121 164 HE2 PHE 24 HE1 PHE 24 24.573 -8.508 -12.443 165 HZ PHE 24 HZ PHE 24 26.650 -9.486 -11.550 166 H LYS 25 H LYS 25 22.142 -7.619 -5.174 167 HA LYS 25 HA LYS 25 19.282 -7.043 -5.056 168 HB2 LYS 25 HB2 LYS 25 20.822 -8.231 -3.238 169 HB3 LYS 25 HB3 LYS 25 21.088 -6.568 -2.733 170 HG2 LYS 25 HG2 LYS 25 18.286 -7.416 -3.175 171 HG3 LYS 25 HG3 LYS 25 19.122 -8.065 -1.763 172 HD2 LYS 25 HD2 LYS 25 19.188 -5.130 -2.361 173 HD3 LYS 25 HD3 LYS 25 17.803 -5.849 -1.535 174 HE2 LYS 25 HE2 LYS 25 20.557 -6.435 -0.549 175 HE3 LYS 25 HE3 LYS 25 19.825 -4.876 -0.175 176 HZ1 LYS 25 HZ1 LYS 25 18.835 -5.901 1.508 177 HZ2 LYS 25 HZ2 LYS 25 19.298 -7.434 0.963 178 HZ3 LYS 25 HZ3 LYS 25 17.878 -6.723 0.381 179 H TYR 26 H TYR 26 18.422 -5.030 -4.777 180 HA TYR 26 HA TYR 26 19.989 -2.807 -5.639 181 HB2 TYR 26 HB2 TYR 26 17.163 -2.997 -4.586 182 HB3 TYR 26 HB3 TYR 26 17.883 -1.508 -5.186 183 HD1 TYR 26 HD2 TYR 26 19.389 -2.524 -7.529 184 HD2 TYR 26 HD1 TYR 26 15.481 -3.469 -6.136 185 HE1 TYR 26 HE2 TYR 26 18.724 -3.122 -9.819 186 HE2 TYR 26 HE1 TYR 26 14.805 -4.072 -8.423 187 HH TYR 26 HH TYR 26 17.128 -4.005 -11.102 188 H VAL 27 H VAL 27 21.087 -1.371 -4.473 189 HA VAL 27 HA VAL 27 20.787 -1.443 -1.545 190 HB VAL 27 HB VAL 27 23.065 -0.329 -1.553 191 HG11 VAL 27 HG11 VAL 27 23.741 -2.835 -2.778 192 HG12 VAL 27 HG12 VAL 27 23.806 -2.369 -1.077 193 HG13 VAL 27 HG13 VAL 27 22.316 -3.024 -1.757 194 HG21 VAL 27 HG21 VAL 27 23.395 -1.406 -4.320 195 HG22 VAL 27 HG22 VAL 27 22.753 0.219 -4.082 196 HG23 VAL 27 HG23 VAL 27 24.353 -0.196 -3.466 197 H CYS 28 H CYS 28 21.248 0.645 -0.425 198 HA CYS 28 HA CYS 28 19.728 2.765 -1.717 199 HB2 CYS 28 HB2 CYS 28 20.486 2.088 1.078 200 HB3 CYS 28 HB3 CYS 28 20.229 3.788 0.703 201 H ASP 29 H ASP 29 20.624 4.488 -2.631 202 HA ASP 29 HA ASP 29 23.350 5.258 -1.836 203 HB2 ASP 29 HB2 ASP 29 22.556 4.211 -4.356 204 HB3 ASP 29 HB3 ASP 29 22.929 5.917 -4.587 205 H CYS 30 H CYS 30 23.502 7.315 -1.246 206 HA CYS 30 HA CYS 30 21.290 9.126 -1.894 207 HB2 CYS 30 HB2 CYS 30 23.492 9.501 0.144 208 HB3 CYS 30 HB3 CYS 30 22.033 10.473 -0.024 209 H PHE 31 H PHE 31 21.569 11.012 -2.985 210 HA PHE 31 HA PHE 31 24.264 11.890 -3.671 211 HB2 PHE 31 HB2 PHE 31 23.426 12.152 -6.105 212 HB3 PHE 31 HB3 PHE 31 23.929 10.554 -5.561 213 HD1 PHE 31 HD2 PHE 31 22.307 8.792 -5.203 214 HD2 PHE 31 HD1 PHE 31 21.113 12.643 -6.564 215 HE1 PHE 31 HE2 PHE 31 20.118 7.877 -5.860 216 HE2 PHE 31 HE1 PHE 31 18.923 11.736 -7.222 217 HZ PHE 31 HZ PHE 31 18.422 9.350 -6.869 218 H TYR 32 H TYR 32 24.020 13.950 -5.152 219 HA TYR 32 HA TYR 32 21.968 15.639 -3.885 220 HB2 TYR 32 HB2 TYR 32 24.546 16.613 -5.111 221 HB3 TYR 32 HB3 TYR 32 23.462 17.488 -4.035 222 HD1 TYR 32 HD1 TYR 32 23.275 16.724 -1.629 223 HD2 TYR 32 HD2 TYR 32 26.312 15.312 -4.255 224 HE1 TYR 32 HE1 TYR 32 24.604 15.995 0.309 225 HE2 TYR 32 HE2 TYR 32 27.649 14.580 -2.325 226 HH TYR 32 HH TYR 32 27.620 14.209 -0.099 227 HA PRO 33 HA PRO 33 20.750 15.480 -8.319 228 HB2 PRO 33 HB2 PRO 33 18.086 15.605 -7.806 229 HB3 PRO 33 HB3 PRO 33 18.997 14.090 -7.792 230 HG2 PRO 33 HG2 PRO 33 18.151 15.812 -5.494 231 HG3 PRO 33 HG3 PRO 33 18.105 14.046 -5.646 232 HD2 PRO 33 HD2 PRO 33 20.053 15.341 -4.282 233 HD3 PRO 33 HD3 PRO 33 20.344 13.819 -5.149 234 H GLU 34 H GLU 34 21.843 17.697 -7.990 235 HA GLU 34 HA GLU 34 21.777 19.936 -8.393 236 HB2 GLU 34 HB2 GLU 34 19.870 19.030 -9.967 237 HB3 GLU 34 HB3 GLU 34 18.819 19.859 -8.828 238 HG2 GLU 34 HG2 GLU 34 19.195 21.766 -9.869 239 HG3 GLU 34 HG3 GLU 34 20.913 21.636 -9.495 240 H GLY 35 H GLY 35 21.312 18.857 -5.726 241 HA2 GLY 35 HA2 GLY 35 19.302 20.367 -4.397 242 HA3 GLY 35 HA3 GLY 35 20.647 19.535 -3.631 243 H GLU 36 H GLU 36 19.273 22.436 -3.848 244 HA GLU 36 HA GLU 36 21.308 24.244 -4.469 245 HB2 GLU 36 HB2 GLU 36 19.970 25.643 -2.624 246 HB3 GLU 36 HB3 GLU 36 19.344 25.370 -4.244 247 HG2 GLU 36 HG2 GLU 36 17.719 23.968 -3.535 248 HG3 GLU 36 HG3 GLU 36 18.689 23.335 -2.206 249 H ASP 37 H ASP 37 20.194 23.718 -1.137 250 HA ASP 37 HA ASP 37 22.950 24.134 -0.227 251 HB2 ASP 37 HB2 ASP 37 21.598 24.206 2.065 252 HB3 ASP 37 HB3 ASP 37 21.712 25.613 1.011 253 H LYS 38 H LYS 38 20.211 22.254 1.059 254 HA LYS 38 HA LYS 38 21.907 19.866 1.097 255 HB2 LYS 38 HB2 LYS 38 20.905 19.433 3.453 256 HB3 LYS 38 HB3 LYS 38 22.277 20.520 3.295 257 HG2 LYS 38 HG2 LYS 38 20.893 22.437 3.523 258 HG3 LYS 38 HG3 LYS 38 19.425 21.467 3.389 259 HD2 LYS 38 HD2 LYS 38 20.454 20.239 5.483 260 HD3 LYS 38 HD3 LYS 38 21.303 21.774 5.682 261 HE2 LYS 38 HE2 LYS 38 18.317 21.544 5.352 262 HE3 LYS 38 HE3 LYS 38 19.124 21.583 6.919 263 HZ1 LYS 38 HZ1 LYS 38 18.484 23.778 6.481 264 HZ2 LYS 38 HZ2 LYS 38 19.006 23.718 4.873 265 HZ3 LYS 38 HZ3 LYS 38 20.139 23.743 6.128 266 H THR 39 H THR 39 20.817 18.389 -0.011 267 HA THR 39 HA THR 39 18.149 17.648 0.742 268 HB THR 39 HB THR 39 18.456 18.493 -2.131 269 HG1 THR 39 HG1 THR 39 18.159 20.501 -1.557 270 HG21 THR 39 HG21 THR 39 15.827 18.688 -0.971 271 HG22 THR 39 HG22 THR 39 16.500 17.081 -0.702 272 HG23 THR 39 HG23 THR 39 16.375 17.721 -2.340 273 H GLU 40 H GLU 40 20.295 16.100 0.953 274 HA GLU 40 HA GLU 40 21.028 14.591 -1.303 275 HB2 GLU 40 HB2 GLU 40 21.871 12.937 0.315 276 HB3 GLU 40 HB3 GLU 40 22.359 14.573 0.734 277 HG2 GLU 40 HG2 GLU 40 19.934 14.131 2.062 278 HG3 GLU 40 HG3 GLU 40 20.884 12.662 2.274 279 H VAL 41 H VAL 41 19.858 13.240 -2.479 280 HA VAL 41 HA VAL 41 17.432 12.068 -1.308 281 HB VAL 41 HB VAL 41 18.239 12.348 -4.207 282 HG11 VAL 41 HG11 VAL 41 15.509 11.833 -4.032 283 HG12 VAL 41 HG12 VAL 41 16.763 10.730 -4.603 284 HG13 VAL 41 HG13 VAL 41 16.257 10.694 -2.912 285 HG21 VAL 41 HG21 VAL 41 16.155 13.867 -4.154 286 HG22 VAL 41 HG22 VAL 41 16.418 13.910 -2.411 287 HG23 VAL 41 HG23 VAL 41 17.670 14.494 -3.506 288 H CYS 42 H CYS 42 17.397 9.988 -0.792 289 HA CYS 42 HA CYS 42 19.528 8.246 -1.816 290 HB2 CYS 42 HB2 CYS 42 17.677 7.753 0.523 291 HB3 CYS 42 HB3 CYS 42 19.112 6.827 0.097 292 H SER 43 H SER 43 19.034 6.880 -3.386 293 HA SER 43 HA SER 43 16.309 5.773 -3.497 294 HB2 SER 43 HB2 SER 43 16.198 6.041 -5.856 295 HB3 SER 43 HB3 SER 43 16.772 7.587 -5.232 296 HG SER 43 HG SER 43 18.039 5.758 -6.840 297 H CYS 44 H CYS 44 16.325 3.874 -5.191 298 HA CYS 44 HA CYS 44 18.246 1.970 -4.193 299 HB2 CYS 44 HB2 CYS 44 16.061 1.615 -6.256 300 HB3 CYS 44 HB3 CYS 44 16.962 0.322 -5.470 301 H GLN 45 H GLN 45 20.178 1.672 -5.064 302 HA GLN 45 HA GLN 45 20.480 2.001 -7.973 303 HB2 GLN 45 HB2 GLN 45 22.417 2.867 -5.822 304 HB3 GLN 45 HB3 GLN 45 22.777 2.860 -7.543 305 HG2 GLN 45 HG2 GLN 45 20.373 4.340 -6.636 306 HG3 GLN 45 HG3 GLN 45 21.956 5.031 -6.284 307 HE21 GLN 45 HE21 GLN 45 19.510 4.822 -8.521 308 HE22 GLN 45 HE22 GLN 45 20.357 5.406 -9.908 309 H GLN 46 H GLN 46 22.272 0.786 -8.908 310 HA GLN 46 HA GLN 46 22.436 -1.850 -7.732 311 HB2 GLN 46 HB2 GLN 46 22.840 -0.665 -10.373 312 HB3 GLN 46 HB3 GLN 46 24.044 -1.884 -9.975 313 HG2 GLN 46 HG2 GLN 46 22.471 -3.574 -9.819 314 HG3 GLN 46 HG3 GLN 46 21.137 -2.445 -9.584 315 HE21 GLN 46 HE21 GLN 46 19.866 -2.160 -11.262 316 HE22 GLN 46 HE22 GLN 46 20.291 -2.408 -12.918 317 HA PRO 47 HA PRO 47 26.440 -1.620 -5.958 318 HB2 PRO 47 HB2 PRO 47 27.490 -4.046 -6.580 319 HB3 PRO 47 HB3 PRO 47 26.207 -3.833 -5.383 320 HG2 PRO 47 HG2 PRO 47 26.006 -4.690 -8.244 321 HG3 PRO 47 HG3 PRO 47 25.176 -5.343 -6.820 322 HD2 PRO 47 HD2 PRO 47 23.981 -3.632 -8.547 323 HD3 PRO 47 HD3 PRO 47 23.598 -3.662 -6.813 324 H LYS 48 H LYS 48 28.852 -2.322 -6.539 325 HA LYS 48 HA LYS 48 30.702 -1.903 -7.796 326 HB2 LYS 48 HB2 LYS 48 28.786 -3.066 -9.618 327 HB3 LYS 48 HB3 LYS 48 29.799 -1.898 -10.457 328 HG2 LYS 48 HG2 LYS 48 31.442 -3.371 -10.557 329 HG3 LYS 48 HG3 LYS 48 31.462 -3.497 -8.796 330 HD2 LYS 48 HD2 LYS 48 31.083 -5.688 -9.553 331 HD3 LYS 48 HD3 LYS 48 29.494 -5.100 -9.059 332 HE2 LYS 48 HE2 LYS 48 29.612 -4.345 -11.690 333 HE3 LYS 48 HE3 LYS 48 30.477 -5.882 -11.700 334 HZ1 LYS 48 HZ1 LYS 48 27.667 -5.332 -11.104 335 HZ2 LYS 48 HZ2 LYS 48 28.410 -6.596 -10.262 336 HZ3 LYS 48 HZ3 LYS 48 28.359 -6.622 -11.953 337 H SER 49 H SER 49 31.695 -0.308 -9.269 338 HA SER 49 HA SER 49 32.085 1.881 -9.774 339 HB2 SER 49 HB2 SER 49 30.717 1.469 -11.686 340 HB3 SER 49 HB3 SER 49 29.238 1.549 -10.730 341 HG SER 49 HG SER 49 29.278 3.537 -11.485 342 H HIS 50 H HIS 50 32.340 2.452 -7.544 343 HA HIS 50 HA HIS 50 30.081 3.585 -6.133 344 HB2 HIS 50 HB2 HIS 50 32.972 3.121 -5.471 345 HB3 HIS 50 HB3 HIS 50 31.996 4.189 -4.468 346 HD1 HIS 50 HD1 HIS 50 30.251 1.254 -5.880 347 HD2 HIS 50 HD2 HIS 50 32.269 2.253 -2.388 348 HE1 HIS 50 HE1 HIS 50 29.656 -0.541 -4.222 349 H LYS 51 H LYS 51 33.333 4.939 -6.629 350 HA LYS 51 HA LYS 51 34.036 7.074 -6.995 351 HB2 LYS 51 HB2 LYS 51 32.491 6.320 -9.120 352 HB3 LYS 51 HB3 LYS 51 31.707 7.819 -8.634 353 HG2 LYS 51 HG2 LYS 51 33.451 9.101 -9.279 354 HG3 LYS 51 HG3 LYS 51 34.652 7.883 -8.842 355 HD2 LYS 51 HD2 LYS 51 34.762 7.157 -10.944 356 HD3 LYS 51 HD3 LYS 51 33.010 6.947 -11.014 357 HE2 LYS 51 HE2 LYS 51 33.191 9.634 -11.196 358 HE3 LYS 51 HE3 LYS 51 34.702 9.163 -11.973 359 HZ1 LYS 51 HZ1 LYS 51 33.381 7.680 -13.420 360 HZ2 LYS 51 HZ2 LYS 51 33.000 9.315 -13.621 361 HZ3 LYS 51 HZ3 LYS 51 31.965 8.308 -12.740 362 H ILE 52 H ILE 52 32.391 6.680 -4.688 363 HA ILE 52 HA ILE 52 31.050 9.299 -4.511 364 HB ILE 52 HB ILE 52 29.546 7.340 -4.199 365 HG12 ILE 52 HG12 ILE 52 29.783 8.763 -1.567 366 HG13 ILE 52 HG13 ILE 52 29.368 9.661 -3.022 367 HG21 ILE 52 HG21 ILE 52 30.889 6.856 -1.568 368 HG22 ILE 52 HG22 ILE 52 29.772 5.821 -2.457 369 HG23 ILE 52 HG23 ILE 52 31.429 6.023 -3.025 370 HD11 ILE 52 HD11 ILE 52 27.262 9.149 -2.534 371 HD12 ILE 52 HD12 ILE 52 27.648 7.525 -3.106 372 HD13 ILE 52 HD13 ILE 52 27.743 7.899 -1.386 373 H ALA 53 H ALA 53 33.624 7.387 -3.398 374 HA ALA 53 HA ALA 53 34.259 9.409 -1.370 375 HB1 ALA 53 HB1 ALA 53 34.404 6.429 -0.931 376 HB2 ALA 53 HB2 ALA 53 35.059 7.646 0.164 377 HB3 ALA 53 HB3 ALA 53 33.322 7.566 -0.126 378 H GLU 54 H GLU 54 35.318 9.464 -3.870 379 HA GLU 54 HA GLU 54 37.886 8.094 -3.823 380 HB2 GLU 54 HB2 GLU 54 36.373 8.446 -5.898 381 HB3 GLU 54 HB3 GLU 54 37.025 10.078 -5.907 382 HG2 GLU 54 HG2 GLU 54 39.323 8.987 -5.911 383 HG3 GLU 54 HG3 GLU 54 38.481 7.489 -6.301 384 H LYS 55 H LYS 55 38.056 9.568 -1.720 385 HA LYS 55 HA LYS 55 39.486 12.021 -2.513 386 HB2 LYS 55 HB2 LYS 55 39.003 12.762 -0.124 387 HB3 LYS 55 HB3 LYS 55 37.634 12.721 -1.228 388 HG2 LYS 55 HG2 LYS 55 36.549 11.259 0.040 389 HG3 LYS 55 HG3 LYS 55 37.958 10.201 0.150 390 HD2 LYS 55 HD2 LYS 55 37.449 10.869 2.365 391 HD3 LYS 55 HD3 LYS 55 38.870 11.798 1.881 392 HE2 LYS 55 HE2 LYS 55 37.254 13.643 1.222 393 HE3 LYS 55 HE3 LYS 55 36.014 12.724 2.075 394 HZ1 LYS 55 HZ1 LYS 55 36.776 14.165 3.683 395 HZ2 LYS 55 HZ2 LYS 55 38.384 14.092 3.163 396 HZ3 LYS 55 HZ3 LYS 55 37.706 12.788 4.003 397 H ILE 56 H ILE 56 41.303 12.627 -1.114 398 HA ILE 56 HA ILE 56 42.462 10.617 0.592 399 HB ILE 56 HB ILE 56 43.129 9.738 -1.586 400 HG12 ILE 56 HG12 ILE 56 45.683 10.925 -0.667 401 HG13 ILE 56 HG13 ILE 56 44.734 10.094 0.561 402 HG21 ILE 56 HG21 ILE 56 45.014 11.639 -2.472 403 HG22 ILE 56 HG22 ILE 56 43.537 11.111 -3.279 404 HG23 ILE 56 HG23 ILE 56 43.501 12.502 -2.194 405 HD11 ILE 56 HD11 ILE 56 45.506 8.854 -2.065 406 HD12 ILE 56 HD12 ILE 56 46.444 8.690 -0.580 407 HD13 ILE 56 HD13 ILE 56 44.800 8.057 -0.659 408 H ILE 57 H ILE 57 44.049 11.429 1.928 409 HA ILE 57 HA ILE 57 45.016 14.148 1.450 410 HB ILE 57 HB ILE 57 44.554 14.717 3.862 411 HG12 ILE 57 HG12 ILE 57 42.421 12.611 3.782 412 HG13 ILE 57 HG13 ILE 57 44.043 12.189 4.323 413 HG21 ILE 57 HG21 ILE 57 42.124 14.248 2.140 414 HG22 ILE 57 HG22 ILE 57 42.285 15.431 3.438 415 HG23 ILE 57 HG23 ILE 57 43.243 15.601 1.967 416 HD11 ILE 57 HD11 ILE 57 43.195 14.575 5.641 417 HD12 ILE 57 HD12 ILE 57 41.964 13.325 5.818 418 HD13 ILE 57 HD13 ILE 57 43.623 13.009 6.328 419 H ASP 58 H ASP 58 46.639 14.758 3.239 420 HA ASP 58 HA ASP 58 48.714 12.846 3.225 421 HB2 ASP 58 HB2 ASP 58 48.303 15.556 4.326 422 HB3 ASP 58 HB3 ASP 58 49.506 14.576 5.159 423 H LYS 59 H LYS 59 49.434 11.422 4.733 424 HA LYS 59 HA LYS 59 47.620 10.406 6.629 425 HB2 LYS 59 HB2 LYS 59 50.081 9.622 5.519 426 HB3 LYS 59 HB3 LYS 59 50.345 9.691 7.256 427 HG2 LYS 59 HG2 LYS 59 49.592 7.570 7.148 428 HG3 LYS 59 HG3 LYS 59 48.021 8.369 7.227 429 HD2 LYS 59 HD2 LYS 59 47.815 6.870 5.442 430 HD3 LYS 59 HD3 LYS 59 48.133 8.423 4.665 431 HE2 LYS 59 HE2 LYS 59 50.656 7.414 5.081 432 HE3 LYS 59 HE3 LYS 59 49.720 5.972 4.689 433 HZ1 LYS 59 HZ1 LYS 59 50.242 6.637 2.606 434 HZ2 LYS 59 HZ2 LYS 59 50.377 8.272 3.019 435 HZ3 LYS 59 HZ3 LYS 59 48.849 7.579 2.796 436 H ALA 60 H ALA 60 46.986 11.534 8.354 437 HA ALA 60 HA ALA 60 48.384 13.587 9.616 438 HB1 ALA 60 HB1 ALA 60 46.256 13.732 10.310 439 HB2 ALA 60 HB2 ALA 60 45.991 11.993 10.188 440 HB3 ALA 60 HB3 ALA 60 46.785 12.666 11.612 441 H LYS 61 H LYS 61 49.423 13.679 11.673 442 HA LYS 61 HA LYS 61 50.526 11.121 12.621 443 HB2 LYS 61 HB2 LYS 61 52.019 12.840 11.167 444 HB3 LYS 61 HB3 LYS 61 52.294 13.492 12.778 445 HG2 LYS 61 HG2 LYS 61 52.898 11.121 13.466 446 HG3 LYS 61 HG3 LYS 61 52.945 10.753 11.740 447 HD2 LYS 61 HD2 LYS 61 55.169 11.274 12.389 448 HD3 LYS 61 HD3 LYS 61 54.565 12.667 11.489 449 HE2 LYS 61 HE2 LYS 61 53.934 12.980 14.261 450 HE3 LYS 61 HE3 LYS 61 55.649 12.605 14.095 451 HZ1 LYS 61 HZ1 LYS 61 54.521 15.056 13.777 452 HZ2 LYS 61 HZ2 LYS 61 54.738 14.536 12.182 453 HZ3 LYS 61 HZ3 LYS 61 56.059 14.602 13.236 454 H THR 62 H THR 62 50.658 10.885 14.793 455 HA THR 62 HA THR 62 49.343 12.885 16.421 456 HB THR 62 HB THR 62 49.438 11.253 18.220 457 HG1 THR 62 HG1 THR 62 50.978 9.812 18.214 458 HG21 THR 62 HG21 THR 62 48.756 9.739 15.708 459 HG22 THR 62 HG22 THR 62 47.751 11.049 16.328 460 HG23 THR 62 HG23 THR 62 48.015 9.604 17.302 461 H THR 63 H THR 63 50.332 14.374 17.611 462 HA THR 63 HA THR 63 53.156 14.656 17.610 463 HB THR 63 HB THR 63 51.880 16.178 19.720 464 HG1 THR 63 HG1 THR 63 50.203 17.009 18.663 465 HG21 THR 63 HG21 THR 63 52.710 17.451 17.181 466 HG22 THR 63 HG22 THR 63 53.949 16.536 18.041 467 HG23 THR 63 HG23 THR 63 53.118 17.868 18.845 468 H LEU 64 H LEU 64 54.214 15.220 19.869 469 HA LEU 64 HA LEU 64 54.124 12.751 21.384 470 HB2 LEU 64 HB2 LEU 64 56.171 14.313 20.638 471 HB3 LEU 64 HB3 LEU 64 55.866 14.985 22.238 472 HG LEU 64 HG LEU 64 56.161 12.710 23.191 473 HD11 LEU 64 HD11 LEU 64 57.528 11.722 20.793 474 HD12 LEU 64 HD12 LEU 64 55.773 11.812 20.662 475 HD13 LEU 64 HD13 LEU 64 56.513 10.871 21.956 476 HD21 LEU 64 HD21 LEU 64 58.027 14.543 22.596 477 HD22 LEU 64 HD22 LEU 64 58.655 13.173 21.680 478 HD23 LEU 64 HD23 LEU 64 58.388 13.025 23.418 Start of MODEL 13 1 H1 ALA 1 H ALA 1 0.840 0.818 -4.258 2 HA ALA 1 HA ALA 1 1.949 1.000 -1.534 3 HB1 ALA 1 HB1 ALA 1 -0.122 1.183 -0.763 4 HB2 ALA 1 HB2 ALA 1 -0.695 1.268 -2.429 5 HB3 ALA 1 HB3 ALA 1 -0.612 -0.288 -1.604 6 H LYS 2 H LYS 2 1.007 -1.150 -4.126 7 HA LYS 2 HA LYS 2 1.775 -3.490 -2.540 8 HB2 LYS 2 HB2 LYS 2 0.530 -3.342 -5.292 9 HB3 LYS 2 HB3 LYS 2 0.813 -4.812 -4.368 10 HG2 LYS 2 HG2 LYS 2 -0.760 -4.078 -2.672 11 HG3 LYS 2 HG3 LYS 2 -1.015 -2.564 -3.543 12 HD2 LYS 2 HD2 LYS 2 -1.467 -5.168 -4.938 13 HD3 LYS 2 HD3 LYS 2 -2.694 -4.545 -3.831 14 HE2 LYS 2 HE2 LYS 2 -1.546 -3.045 -6.185 15 HE3 LYS 2 HE3 LYS 2 -3.094 -3.887 -6.177 16 HZ1 LYS 2 HZ1 LYS 2 -3.545 -1.626 -5.757 17 HZ2 LYS 2 HZ2 LYS 2 -2.322 -1.504 -4.595 18 HZ3 LYS 2 HZ3 LYS 2 -3.713 -2.410 -4.267 19 H ALA 3 H ALA 3 2.672 -1.672 -5.412 20 HA ALA 3 HA ALA 3 4.662 -3.480 -6.329 21 HB1 ALA 3 HB1 ALA 3 5.100 -0.678 -7.015 22 HB2 ALA 3 HB2 ALA 3 4.842 -2.076 -8.059 23 HB3 ALA 3 HB3 ALA 3 3.461 -1.240 -7.348 24 H CYS 4 H CYS 4 6.853 -3.522 -6.000 25 HA CYS 4 HA CYS 4 7.796 -2.407 -3.525 26 HB2 CYS 4 HB2 CYS 4 9.883 -3.609 -4.037 27 HB3 CYS 4 HB3 CYS 4 8.476 -4.654 -4.200 28 H THR 5 H THR 5 10.397 -1.779 -3.933 29 HA THR 5 HA THR 5 10.213 0.657 -5.576 30 HB THR 5 HB THR 5 12.085 0.130 -3.261 31 HG1 THR 5 HG1 THR 5 10.657 1.659 -2.193 32 HG21 THR 5 HG21 THR 5 12.441 1.909 -5.263 33 HG22 THR 5 HG22 THR 5 12.989 2.175 -3.608 34 HG23 THR 5 HG23 THR 5 11.464 2.872 -4.154 35 HA PRO 6 HA PRO 6 13.242 -1.915 -7.872 36 HB2 PRO 6 HB2 PRO 6 12.587 -0.886 -10.298 37 HB3 PRO 6 HB3 PRO 6 11.697 -2.214 -9.547 38 HG2 PRO 6 HG2 PRO 6 11.029 0.701 -9.633 39 HG3 PRO 6 HG3 PRO 6 9.965 -0.697 -9.867 40 HD2 PRO 6 HD2 PRO 6 10.080 0.671 -7.533 41 HD3 PRO 6 HD3 PRO 6 9.750 -1.073 -7.604 42 H LEU 7 H LEU 7 14.548 -0.877 -9.970 43 HA LEU 7 HA LEU 7 16.323 0.985 -8.788 44 HB2 LEU 7 HB2 LEU 7 16.746 -0.782 -10.621 45 HB3 LEU 7 HB3 LEU 7 16.177 0.461 -11.735 46 HG LEU 7 HG LEU 7 18.115 1.746 -10.219 47 HD11 LEU 7 HD11 LEU 7 18.708 -1.138 -10.473 48 HD12 LEU 7 HD12 LEU 7 19.262 0.037 -9.282 49 HD13 LEU 7 HD13 LEU 7 20.012 -0.020 -10.876 50 HD21 LEU 7 HD21 LEU 7 17.706 0.828 -12.957 51 HD22 LEU 7 HD22 LEU 7 19.408 0.971 -12.512 52 HD23 LEU 7 HD23 LEU 7 18.334 2.363 -12.355 53 H LEU 8 H LEU 8 16.840 3.122 -9.507 54 HA LEU 8 HA LEU 8 16.363 5.265 -10.099 55 HB2 LEU 8 HB2 LEU 8 14.235 4.178 -11.920 56 HB3 LEU 8 HB3 LEU 8 15.133 5.687 -12.071 57 HG LEU 8 HG LEU 8 16.436 2.986 -12.330 58 HD11 LEU 8 HD11 LEU 8 14.729 3.098 -14.027 59 HD12 LEU 8 HD12 LEU 8 16.308 3.347 -14.770 60 HD13 LEU 8 HD13 LEU 8 15.242 4.722 -14.485 61 HD21 LEU 8 HD21 LEU 8 17.301 5.651 -13.423 62 HD22 LEU 8 HD22 LEU 8 18.244 4.166 -13.287 63 HD23 LEU 8 HD23 LEU 8 17.794 5.062 -11.836 64 H HIS 9 H HIS 9 14.947 3.924 -7.925 65 HA HIS 9 HA HIS 9 12.672 5.770 -7.742 66 HB2 HIS 9 HB2 HIS 9 12.616 2.828 -7.585 67 HB3 HIS 9 HB3 HIS 9 11.767 3.651 -6.280 68 HD1 HIS 9 HD1 HIS 9 9.858 5.379 -7.091 69 HD2 HIS 9 HD2 HIS 9 11.231 2.671 -9.927 70 HE1 HIS 9 HE1 HIS 9 8.122 5.371 -8.909 71 H ASP 10 H ASP 10 12.439 6.765 -5.804 72 HA ASP 10 HA ASP 10 14.563 6.960 -4.039 73 HB2 ASP 10 HB2 ASP 10 12.732 7.870 -2.430 74 HB3 ASP 10 HB3 ASP 10 13.055 8.732 -3.932 75 H CYS 11 H CYS 11 15.054 6.086 -2.050 76 HA CYS 11 HA CYS 11 13.388 3.859 -1.107 77 HB2 CYS 11 HB2 CYS 11 15.276 2.417 -0.824 78 HB3 CYS 11 HB3 CYS 11 15.327 3.022 -2.477 79 H SER 12 H SER 12 14.039 6.712 -0.281 80 HA SER 12 HA SER 12 15.578 6.644 2.081 81 HB2 SER 12 HB2 SER 12 14.211 8.597 0.592 82 HB3 SER 12 HB3 SER 12 13.500 8.649 2.205 83 HG SER 12 HG SER 12 15.487 9.070 3.066 84 H HIS 13 H HIS 13 12.362 5.647 1.385 85 HA HIS 13 HA HIS 13 11.193 5.894 3.932 86 HB2 HIS 13 HB2 HIS 13 10.005 5.393 1.754 87 HB3 HIS 13 HB3 HIS 13 10.574 3.735 1.913 88 HD1 HIS 13 HD1 HIS 13 9.207 5.861 4.727 89 HD2 HIS 13 HD2 HIS 13 8.192 2.513 2.485 90 HE1 HIS 13 HE1 HIS 13 7.155 4.912 5.829 91 H ASP 14 H ASP 14 13.068 3.293 2.439 92 HA ASP 14 HA ASP 14 13.952 2.342 4.981 93 HB2 ASP 14 HB2 ASP 14 11.521 1.266 4.046 94 HB3 ASP 14 HB3 ASP 14 12.741 0.028 3.765 95 H ARG 15 H ARG 15 15.978 1.728 4.657 96 HA ARG 15 HA ARG 15 17.219 1.541 2.193 97 HB2 ARG 15 HB2 ARG 15 19.099 0.505 3.375 98 HB3 ARG 15 HB3 ARG 15 18.445 1.859 4.285 99 HG2 ARG 15 HG2 ARG 15 17.140 0.185 5.633 100 HG3 ARG 15 HG3 ARG 15 18.085 -1.072 4.833 101 HD2 ARG 15 HD2 ARG 15 19.409 -0.773 6.650 102 HD3 ARG 15 HD3 ARG 15 20.085 0.497 5.631 103 HE ARG 15 HE ARG 15 17.935 1.495 7.182 104 HH11 ARG 15 HH11 ARG 15 21.269 0.519 7.406 105 HH12 ARG 15 HH12 ARG 15 21.618 1.557 8.749 106 HH21 ARG 15 HH21 ARG 15 18.381 2.865 8.950 107 HH22 ARG 15 HH22 ARG 15 19.975 2.891 9.627 108 H HIS 16 H HIS 16 15.538 -0.909 4.029 109 HA HIS 16 HA HIS 16 16.326 -2.967 2.093 110 HB2 HIS 16 HB2 HIS 16 15.212 -3.035 4.870 111 HB3 HIS 16 HB3 HIS 16 14.950 -4.415 3.808 112 HD1 HIS 16 HD1 HIS 16 17.110 -5.703 3.011 113 HD2 HIS 16 HD2 HIS 16 17.742 -2.832 5.946 114 HE1 HIS 16 HE1 HIS 16 19.396 -6.184 3.940 115 H SER 17 H SER 17 14.492 -0.828 1.396 116 HA SER 17 HA SER 17 11.926 -2.228 1.177 117 HB2 SER 17 HB2 SER 17 11.771 0.050 2.002 118 HB3 SER 17 HB3 SER 17 12.674 0.649 0.612 119 HG SER 17 HG SER 17 10.094 -0.527 0.617 120 H CYS 18 H CYS 18 14.663 -1.204 -0.670 121 HA CYS 18 HA CYS 18 13.587 -1.132 -3.244 122 HB2 CYS 18 HB2 CYS 18 16.326 -1.812 -2.198 123 HB3 CYS 18 HB3 CYS 18 15.968 -1.856 -3.922 124 H CYS 19 H CYS 19 13.277 -2.656 -4.835 125 HA CYS 19 HA CYS 19 12.332 -5.156 -4.150 126 HB2 CYS 19 HB2 CYS 19 13.543 -4.338 -6.801 127 HB3 CYS 19 HB3 CYS 19 12.474 -5.712 -6.539 128 H ARG 20 H ARG 20 13.232 -7.280 -5.044 129 HA ARG 20 HA ARG 20 16.138 -7.440 -4.637 130 HB2 ARG 20 HB2 ARG 20 15.704 -9.626 -3.424 131 HB3 ARG 20 HB3 ARG 20 15.281 -8.159 -2.552 132 HG2 ARG 20 HG2 ARG 20 12.934 -8.477 -3.142 133 HG3 ARG 20 HG3 ARG 20 13.356 -9.944 -4.027 134 HD2 ARG 20 HD2 ARG 20 13.798 -9.489 -1.078 135 HD3 ARG 20 HD3 ARG 20 12.477 -10.423 -1.779 136 HE ARG 20 HE ARG 20 14.697 -11.601 -2.795 137 HH11 ARG 20 HH11 ARG 20 13.648 -10.807 0.428 138 HH12 ARG 20 HH12 ARG 20 14.484 -12.131 1.167 139 HH21 ARG 20 HH21 ARG 20 15.803 -13.349 -1.833 140 HH22 ARG 20 HH22 ARG 20 15.710 -13.577 -0.120 141 H GLY 21 H GLY 21 17.124 -9.386 -5.532 142 HA2 GLY 21 HA2 GLY 21 15.506 -10.598 -7.685 143 HA3 GLY 21 HA3 GLY 21 17.132 -10.003 -7.987 144 H ASP 22 H ASP 22 17.618 -12.159 -8.725 145 HA ASP 22 HA ASP 22 17.781 -14.190 -6.616 146 HB2 ASP 22 HB2 ASP 22 16.731 -14.900 -8.705 147 HB3 ASP 22 HB3 ASP 22 18.166 -14.425 -9.608 148 H MET 23 H MET 23 19.736 -12.171 -8.676 149 HA MET 23 HA MET 23 22.192 -13.535 -7.925 150 HB2 MET 23 HB2 MET 23 21.554 -12.356 -10.217 151 HB3 MET 23 HB3 MET 23 22.201 -10.941 -9.398 152 HG2 MET 23 HG2 MET 23 24.194 -12.598 -8.885 153 HG3 MET 23 HG3 MET 23 23.579 -13.393 -10.332 154 HE1 MET 23 HE1 MET 23 24.995 -9.654 -9.133 155 HE2 MET 23 HE2 MET 23 25.839 -11.179 -8.863 156 HE3 MET 23 HE3 MET 23 26.417 -10.056 -10.095 157 H PHE 24 H PHE 24 21.110 -10.132 -7.821 158 HA PHE 24 HA PHE 24 22.144 -9.896 -5.109 159 HB2 PHE 24 HB2 PHE 24 23.927 -9.288 -6.927 160 HB3 PHE 24 HB3 PHE 24 22.988 -7.806 -7.084 161 HD1 PHE 24 HD1 PHE 24 24.820 -9.898 -4.631 162 HD2 PHE 24 HD2 PHE 24 23.285 -6.045 -5.588 163 HE1 PHE 24 HE1 PHE 24 26.006 -8.948 -2.695 164 HE2 PHE 24 HE2 PHE 24 24.469 -5.089 -3.656 165 HZ PHE 24 HZ PHE 24 25.832 -6.540 -2.207 166 H LYS 25 H LYS 25 21.425 -7.971 -4.015 167 HA LYS 25 HA LYS 25 18.851 -7.047 -5.050 168 HB2 LYS 25 HB2 LYS 25 18.766 -7.925 -2.816 169 HB3 LYS 25 HB3 LYS 25 20.109 -6.910 -2.308 170 HG2 LYS 25 HG2 LYS 25 18.814 -5.018 -2.187 171 HG3 LYS 25 HG3 LYS 25 17.628 -5.625 -3.345 172 HD2 LYS 25 HD2 LYS 25 16.460 -5.809 -1.370 173 HD3 LYS 25 HD3 LYS 25 17.177 -7.416 -1.490 174 HE2 LYS 25 HE2 LYS 25 17.485 -6.646 0.748 175 HE3 LYS 25 HE3 LYS 25 19.053 -6.599 -0.056 176 HZ1 LYS 25 HZ1 LYS 25 19.186 -4.407 0.210 177 HZ2 LYS 25 HZ2 LYS 25 17.908 -4.550 1.308 178 HZ3 LYS 25 HZ3 LYS 25 17.596 -4.143 -0.304 179 H TYR 26 H TYR 26 18.301 -4.860 -5.196 180 HA TYR 26 HA TYR 26 20.281 -3.137 -6.158 181 HB2 TYR 26 HB2 TYR 26 17.514 -2.501 -5.116 182 HB3 TYR 26 HB3 TYR 26 18.529 -1.373 -6.009 183 HD1 TYR 26 HD2 TYR 26 19.653 -3.174 -8.084 184 HD2 TYR 26 HD1 TYR 26 15.699 -2.854 -6.546 185 HE1 TYR 26 HE2 TYR 26 18.765 -4.048 -10.205 186 HE2 TYR 26 HE1 TYR 26 14.800 -3.728 -8.662 187 HH TYR 26 HH TYR 26 16.803 -4.166 -11.468 188 H VAL 27 H VAL 27 21.283 -1.319 -5.296 189 HA VAL 27 HA VAL 27 21.403 -1.274 -2.356 190 HB VAL 27 HB VAL 27 23.564 -0.011 -2.728 191 HG11 VAL 27 HG11 VAL 27 24.750 -1.952 -2.661 192 HG12 VAL 27 HG12 VAL 27 23.131 -2.616 -2.424 193 HG13 VAL 27 HG13 VAL 27 23.880 -2.661 -4.020 194 HG21 VAL 27 HG21 VAL 27 23.436 -1.109 -5.521 195 HG22 VAL 27 HG22 VAL 27 22.926 0.536 -5.140 196 HG23 VAL 27 HG23 VAL 27 24.589 0.037 -4.839 197 H CYS 28 H CYS 28 21.193 0.632 -1.222 198 HA CYS 28 HA CYS 28 19.697 2.713 -2.546 199 HB2 CYS 28 HB2 CYS 28 20.343 1.985 0.261 200 HB3 CYS 28 HB3 CYS 28 19.997 3.681 -0.062 201 H ASP 29 H ASP 29 20.785 4.152 -3.723 202 HA ASP 29 HA ASP 29 23.382 5.119 -2.753 203 HB2 ASP 29 HB2 ASP 29 22.376 4.458 -5.345 204 HB3 ASP 29 HB3 ASP 29 22.787 6.170 -5.327 205 H CYS 30 H CYS 30 23.509 7.045 -1.825 206 HA CYS 30 HA CYS 30 21.258 8.903 -2.119 207 HB2 CYS 30 HB2 CYS 30 23.455 8.751 -0.046 208 HB3 CYS 30 HB3 CYS 30 22.219 10.004 -0.092 209 H PHE 31 H PHE 31 21.503 10.945 -2.890 210 HA PHE 31 HA PHE 31 24.177 11.963 -3.448 211 HB2 PHE 31 HB2 PHE 31 23.646 12.455 -5.789 212 HB3 PHE 31 HB3 PHE 31 23.561 10.725 -5.478 213 HD1 PHE 31 HD2 PHE 31 21.403 9.579 -5.413 214 HD2 PHE 31 HD1 PHE 31 21.702 13.713 -6.381 215 HE1 PHE 31 HE2 PHE 31 19.120 9.527 -6.329 216 HE2 PHE 31 HE1 PHE 31 19.420 13.667 -7.298 217 HZ PHE 31 HZ PHE 31 18.125 11.573 -7.272 218 H TYR 32 H TYR 32 23.614 14.170 -4.888 219 HA TYR 32 HA TYR 32 21.594 15.612 -3.300 220 HB2 TYR 32 HB2 TYR 32 24.182 16.861 -4.211 221 HB3 TYR 32 HB3 TYR 32 23.034 17.473 -3.026 222 HD1 TYR 32 HD2 TYR 32 25.667 14.964 -3.634 223 HD2 TYR 32 HD1 TYR 32 23.118 16.766 -0.744 224 HE1 TYR 32 HE2 TYR 32 26.976 13.916 -1.836 225 HE2 TYR 32 HE1 TYR 32 24.422 15.724 1.063 226 HH TYR 32 HH TYR 32 26.641 14.806 1.440 227 HA PRO 33 HA PRO 33 19.958 17.071 -7.105 228 HB2 PRO 33 HB2 PRO 33 18.950 19.469 -6.328 229 HB3 PRO 33 HB3 PRO 33 18.215 17.926 -5.877 230 HG2 PRO 33 HG2 PRO 33 20.032 19.695 -4.286 231 HG3 PRO 33 HG3 PRO 33 18.568 18.838 -3.768 232 HD2 PRO 33 HD2 PRO 33 21.059 17.912 -3.248 233 HD3 PRO 33 HD3 PRO 33 19.677 16.832 -3.523 234 H GLU 34 H GLU 34 22.624 18.477 -5.636 235 HA GLU 34 HA GLU 34 24.318 19.782 -6.414 236 HB2 GLU 34 HB2 GLU 34 23.680 18.424 -8.562 237 HB3 GLU 34 HB3 GLU 34 23.028 19.962 -9.110 238 HG2 GLU 34 HG2 GLU 34 25.041 20.701 -9.648 239 HG3 GLU 34 HG3 GLU 34 25.668 20.326 -8.044 240 H GLY 35 H GLY 35 21.808 20.900 -5.347 241 HA2 GLY 35 HA2 GLY 35 22.330 23.659 -6.060 242 HA3 GLY 35 HA3 GLY 35 20.731 23.080 -6.508 243 H GLU 36 H GLU 36 19.769 21.698 -4.529 244 HA GLU 36 HA GLU 36 19.777 23.578 -2.280 245 HB2 GLU 36 HB2 GLU 36 17.784 21.581 -3.305 246 HB3 GLU 36 HB3 GLU 36 17.679 22.178 -1.655 247 HG2 GLU 36 HG2 GLU 36 16.311 23.668 -2.674 248 HG3 GLU 36 HG3 GLU 36 17.846 24.517 -2.863 249 H ASP 37 H ASP 37 21.498 22.936 -1.046 250 HA ASP 37 HA ASP 37 21.885 20.154 -0.362 251 HB2 ASP 37 HB2 ASP 37 23.302 22.426 0.994 252 HB3 ASP 37 HB3 ASP 37 23.895 20.809 0.626 253 H LYS 38 H LYS 38 19.429 20.590 0.441 254 HA LYS 38 HA LYS 38 19.603 21.058 3.346 255 HB2 LYS 38 HB2 LYS 38 18.120 22.575 1.833 256 HB3 LYS 38 HB3 LYS 38 17.029 21.196 1.808 257 HG2 LYS 38 HG2 LYS 38 16.151 22.236 3.600 258 HG3 LYS 38 HG3 LYS 38 17.439 21.376 4.447 259 HD2 LYS 38 HD2 LYS 38 18.113 24.022 3.292 260 HD3 LYS 38 HD3 LYS 38 17.045 24.008 4.699 261 HE2 LYS 38 HE2 LYS 38 19.740 22.661 4.546 262 HE3 LYS 38 HE3 LYS 38 19.428 24.220 5.307 263 HZ1 LYS 38 HZ1 LYS 38 18.484 21.549 6.155 264 HZ2 LYS 38 HZ2 LYS 38 17.759 22.968 6.720 265 HZ3 LYS 38 HZ3 LYS 38 19.394 22.670 7.036 266 H THR 39 H THR 39 18.748 18.864 0.830 267 HA THR 39 HA THR 39 18.233 16.792 2.811 268 HB THR 39 HB THR 39 16.284 17.294 0.553 269 HG1 THR 39 HG1 THR 39 15.935 17.637 3.364 270 HG21 THR 39 HG21 THR 39 16.626 14.915 1.229 271 HG22 THR 39 HG22 THR 39 14.989 15.507 1.508 272 HG23 THR 39 HG23 THR 39 16.113 15.353 2.858 273 H GLU 40 H GLU 40 18.823 14.759 2.150 274 HA GLU 40 HA GLU 40 20.284 14.635 -0.380 275 HB2 GLU 40 HB2 GLU 40 20.283 12.902 2.086 276 HB3 GLU 40 HB3 GLU 40 21.088 12.416 0.599 277 HG2 GLU 40 HG2 GLU 40 22.424 14.509 0.715 278 HG3 GLU 40 HG3 GLU 40 21.700 14.827 2.290 279 H VAL 41 H VAL 41 19.717 13.361 -2.053 280 HA VAL 41 HA VAL 41 17.139 11.991 -1.870 281 HB VAL 41 HB VAL 41 18.737 12.407 -4.387 282 HG11 VAL 41 HG11 VAL 41 16.348 11.080 -3.823 283 HG12 VAL 41 HG12 VAL 41 15.869 12.593 -4.593 284 HG13 VAL 41 HG13 VAL 41 16.984 11.500 -5.413 285 HG21 VAL 41 HG21 VAL 41 17.137 14.418 -4.659 286 HG22 VAL 41 HG22 VAL 41 17.001 14.345 -2.902 287 HG23 VAL 41 HG23 VAL 41 18.575 14.606 -3.655 288 H CYS 42 H CYS 42 17.114 9.886 -1.485 289 HA CYS 42 HA CYS 42 19.398 8.258 -2.388 290 HB2 CYS 42 HB2 CYS 42 17.470 7.667 -0.132 291 HB3 CYS 42 HB3 CYS 42 18.880 6.711 -0.577 292 H SER 43 H SER 43 19.004 6.915 -4.006 293 HA SER 43 HA SER 43 16.292 5.814 -4.310 294 HB2 SER 43 HB2 SER 43 16.549 6.002 -6.772 295 HB3 SER 43 HB3 SER 43 16.554 7.575 -5.974 296 HG SER 43 HG SER 43 18.225 7.407 -7.519 297 H CYS 44 H CYS 44 16.321 3.913 -5.900 298 HA CYS 44 HA CYS 44 18.298 2.041 -4.951 299 HB2 CYS 44 HB2 CYS 44 16.040 1.658 -6.929 300 HB3 CYS 44 HB3 CYS 44 16.999 0.372 -6.203 301 H GLN 45 H GLN 45 20.191 1.701 -5.890 302 HA GLN 45 HA GLN 45 20.407 2.059 -8.804 303 HB2 GLN 45 HB2 GLN 45 22.342 2.958 -6.670 304 HB3 GLN 45 HB3 GLN 45 22.773 2.842 -8.371 305 HG2 GLN 45 HG2 GLN 45 20.342 4.387 -7.772 306 HG3 GLN 45 HG3 GLN 45 21.858 5.078 -7.196 307 HE21 GLN 45 HE21 GLN 45 20.216 3.835 -10.051 308 HE22 GLN 45 HE22 GLN 45 21.094 4.783 -11.195 309 H GLN 46 H GLN 46 22.243 0.880 -9.771 310 HA GLN 46 HA GLN 46 22.375 -1.791 -8.672 311 HB2 GLN 46 HB2 GLN 46 22.732 -0.553 -11.269 312 HB3 GLN 46 HB3 GLN 46 24.034 -1.680 -10.915 313 HG2 GLN 46 HG2 GLN 46 22.723 -3.454 -11.198 314 HG3 GLN 46 HG3 GLN 46 21.413 -2.745 -10.256 315 HE21 GLN 46 HE21 GLN 46 19.619 -2.604 -11.376 316 HE22 GLN 46 HE22 GLN 46 19.486 -2.226 -13.056 317 HA PRO 47 HA PRO 47 26.356 -1.641 -6.837 318 HB2 PRO 47 HB2 PRO 47 27.395 -4.056 -7.513 319 HB3 PRO 47 HB3 PRO 47 26.097 -3.866 -6.328 320 HG2 PRO 47 HG2 PRO 47 25.929 -4.643 -9.214 321 HG3 PRO 47 HG3 PRO 47 25.074 -5.327 -7.820 322 HD2 PRO 47 HD2 PRO 47 23.916 -3.561 -9.514 323 HD3 PRO 47 HD3 PRO 47 23.510 -3.635 -7.787 324 H LYS 48 H LYS 48 26.157 -0.462 -9.525 325 HA LYS 48 HA LYS 48 28.669 -1.223 -10.796 326 HB2 LYS 48 HB2 LYS 48 26.243 0.250 -11.605 327 HB3 LYS 48 HB3 LYS 48 27.750 0.868 -12.270 328 HG2 LYS 48 HG2 LYS 48 27.140 -2.050 -12.430 329 HG3 LYS 48 HG3 LYS 48 26.399 -0.923 -13.569 330 HD2 LYS 48 HD2 LYS 48 28.961 -0.105 -13.700 331 HD3 LYS 48 HD3 LYS 48 29.205 -1.812 -13.323 332 HE2 LYS 48 HE2 LYS 48 27.594 -2.308 -15.220 333 HE3 LYS 48 HE3 LYS 48 27.751 -0.610 -15.666 334 HZ1 LYS 48 HZ1 LYS 48 29.373 -1.545 -16.944 335 HZ2 LYS 48 HZ2 LYS 48 29.731 -2.765 -15.829 336 HZ3 LYS 48 HZ3 LYS 48 30.282 -1.188 -15.562 337 H SER 49 H SER 49 30.292 -0.457 -9.505 338 HA SER 49 HA SER 49 30.813 2.369 -9.635 339 HB2 SER 49 HB2 SER 49 29.530 1.339 -7.313 340 HB3 SER 49 HB3 SER 49 31.190 1.741 -6.872 341 HG SER 49 HG SER 49 29.123 3.401 -7.751 342 H HIS 50 H HIS 50 32.917 2.616 -9.976 343 HA HIS 50 HA HIS 50 34.715 0.423 -9.874 344 HB2 HIS 50 HB2 HIS 50 35.351 3.366 -10.165 345 HB3 HIS 50 HB3 HIS 50 36.415 2.025 -10.576 346 HD1 HIS 50 HD1 HIS 50 34.554 4.390 -12.259 347 HD2 HIS 50 HD2 HIS 50 34.705 0.247 -12.533 348 HE1 HIS 50 HE1 HIS 50 33.664 3.834 -14.544 349 H LYS 51 H LYS 51 33.906 2.980 -7.664 350 HA LYS 51 HA LYS 51 36.219 2.515 -5.980 351 HB2 LYS 51 HB2 LYS 51 33.805 4.303 -5.679 352 HB3 LYS 51 HB3 LYS 51 35.085 4.191 -4.478 353 HG2 LYS 51 HG2 LYS 51 36.681 4.829 -6.355 354 HG3 LYS 51 HG3 LYS 51 35.239 5.265 -7.274 355 HD2 LYS 51 HD2 LYS 51 35.570 6.332 -4.510 356 HD3 LYS 51 HD3 LYS 51 36.505 7.053 -5.823 357 HE2 LYS 51 HE2 LYS 51 34.169 7.090 -7.026 358 HE3 LYS 51 HE3 LYS 51 33.557 7.023 -5.374 359 HZ1 LYS 51 HZ1 LYS 51 34.385 9.262 -6.734 360 HZ2 LYS 51 HZ2 LYS 51 35.626 8.955 -5.626 361 HZ3 LYS 51 HZ3 LYS 51 34.036 9.153 -5.081 362 H ILE 52 H ILE 52 35.451 0.156 -5.902 363 HA ILE 52 HA ILE 52 33.225 -0.701 -4.501 364 HB ILE 52 HB ILE 52 35.974 -1.955 -4.470 365 HG12 ILE 52 HG12 ILE 52 33.616 -2.595 -6.250 366 HG13 ILE 52 HG13 ILE 52 34.942 -1.543 -6.734 367 HG21 ILE 52 HG21 ILE 52 34.161 -3.988 -4.288 368 HG22 ILE 52 HG22 ILE 52 35.043 -3.289 -2.931 369 HG23 ILE 52 HG23 ILE 52 33.410 -2.735 -3.299 370 HD11 ILE 52 HD11 ILE 52 36.285 -3.750 -5.908 371 HD12 ILE 52 HD12 ILE 52 34.810 -4.457 -6.569 372 HD13 ILE 52 HD13 ILE 52 35.817 -3.415 -7.575 373 H ALA 53 H ALA 53 32.614 0.213 -2.629 374 HA ALA 53 HA ALA 53 32.568 0.639 -0.389 375 HB1 ALA 53 HB1 ALA 53 34.481 -1.478 -0.658 376 HB2 ALA 53 HB2 ALA 53 34.984 -0.371 0.620 377 HB3 ALA 53 HB3 ALA 53 33.390 -1.122 0.681 378 H GLU 54 H GLU 54 36.092 0.660 -0.818 379 HA GLU 54 HA GLU 54 37.651 2.286 -0.499 380 HB2 GLU 54 HB2 GLU 54 35.916 3.242 -2.372 381 HB3 GLU 54 HB3 GLU 54 35.850 4.519 -1.164 382 HG2 GLU 54 HG2 GLU 54 38.546 3.587 -1.875 383 HG3 GLU 54 HG3 GLU 54 37.656 4.408 -3.157 384 H LYS 55 H LYS 55 36.192 1.528 1.770 385 HA LYS 55 HA LYS 55 35.927 4.064 3.245 386 HB2 LYS 55 HB2 LYS 55 34.533 1.443 3.438 387 HB3 LYS 55 HB3 LYS 55 34.814 2.319 4.938 388 HG2 LYS 55 HG2 LYS 55 33.788 4.133 2.993 389 HG3 LYS 55 HG3 LYS 55 32.758 2.699 3.049 390 HD2 LYS 55 HD2 LYS 55 32.905 3.007 5.622 391 HD3 LYS 55 HD3 LYS 55 33.409 4.652 5.224 392 HE2 LYS 55 HE2 LYS 55 31.315 4.703 3.730 393 HE3 LYS 55 HE3 LYS 55 30.802 3.284 4.642 394 HZ1 LYS 55 HZ1 LYS 55 31.671 5.682 6.098 395 HZ2 LYS 55 HZ2 LYS 55 30.566 4.487 6.560 396 HZ3 LYS 55 HZ3 LYS 55 30.122 5.653 5.418 397 H ILE 56 H ILE 56 36.358 3.616 5.721 398 HA ILE 56 HA ILE 56 38.436 1.744 6.318 399 HB ILE 56 HB ILE 56 39.772 3.401 5.107 400 HG12 ILE 56 HG12 ILE 56 40.743 4.081 7.755 401 HG13 ILE 56 HG13 ILE 56 40.252 2.392 7.672 402 HG21 ILE 56 HG21 ILE 56 39.864 5.661 5.624 403 HG22 ILE 56 HG22 ILE 56 38.149 5.291 5.796 404 HG23 ILE 56 HG23 ILE 56 39.170 5.426 7.227 405 HD11 ILE 56 HD11 ILE 56 42.136 1.882 6.641 406 HD12 ILE 56 HD12 ILE 56 41.765 3.022 5.346 407 HD13 ILE 56 HD13 ILE 56 42.647 3.564 6.773 408 H ILE 57 H ILE 57 38.561 1.373 8.467 409 HA ILE 57 HA ILE 57 37.382 3.345 10.297 410 HB ILE 57 HB ILE 57 36.265 1.532 11.552 411 HG12 ILE 57 HG12 ILE 57 36.409 -0.314 9.240 412 HG13 ILE 57 HG13 ILE 57 37.871 -0.176 10.208 413 HG21 ILE 57 HG21 ILE 57 35.096 2.917 9.835 414 HG22 ILE 57 HG22 ILE 57 35.361 1.611 8.680 415 HG23 ILE 57 HG23 ILE 57 34.368 1.334 10.110 416 HD11 ILE 57 HD11 ILE 57 37.017 -1.473 11.781 417 HD12 ILE 57 HD12 ILE 57 35.569 -0.472 11.899 418 HD13 ILE 57 HD13 ILE 57 35.648 -1.773 10.710 419 H ASP 58 H ASP 58 37.805 2.640 12.647 420 HA ASP 58 HA ASP 58 40.066 0.979 13.162 421 HB2 ASP 58 HB2 ASP 58 40.812 3.404 12.211 422 HB3 ASP 58 HB3 ASP 58 40.719 3.757 13.935 423 H LYS 59 H LYS 59 40.876 1.459 15.521 424 HA LYS 59 HA LYS 59 39.127 2.705 17.349 425 HB2 LYS 59 HB2 LYS 59 38.166 0.245 16.428 426 HB3 LYS 59 HB3 LYS 59 38.859 -0.105 18.007 427 HG2 LYS 59 HG2 LYS 59 37.494 1.993 18.749 428 HG3 LYS 59 HG3 LYS 59 36.559 1.648 17.292 429 HD2 LYS 59 HD2 LYS 59 37.150 -0.444 19.373 430 HD3 LYS 59 HD3 LYS 59 35.731 0.603 19.457 431 HE2 LYS 59 HE2 LYS 59 35.258 -0.191 17.061 432 HE3 LYS 59 HE3 LYS 59 36.425 -1.469 17.398 433 HZ1 LYS 59 HZ1 LYS 59 33.904 -0.934 18.872 434 HZ2 LYS 59 HZ2 LYS 59 35.057 -2.080 19.341 435 HZ3 LYS 59 HZ3 LYS 59 34.234 -2.261 17.874 436 H ALA 60 H ALA 60 39.625 1.995 19.655 437 HA ALA 60 HA ALA 60 42.407 1.043 19.847 438 HB1 ALA 60 HB1 ALA 60 43.054 2.781 21.157 439 HB2 ALA 60 HB2 ALA 60 41.803 3.606 20.226 440 HB3 ALA 60 HB3 ALA 60 41.447 3.008 21.846 441 H LYS 61 H LYS 61 42.890 0.631 22.325 442 HA LYS 61 HA LYS 61 40.598 -0.666 23.609 443 HB2 LYS 61 HB2 LYS 61 43.249 -2.070 23.267 444 HB3 LYS 61 HB3 LYS 61 41.771 -2.733 23.950 445 HG2 LYS 61 HG2 LYS 61 40.840 -2.109 21.541 446 HG3 LYS 61 HG3 LYS 61 42.541 -2.320 21.122 447 HD2 LYS 61 HD2 LYS 61 42.546 -4.558 21.946 448 HD3 LYS 61 HD3 LYS 61 40.948 -4.357 22.669 449 HE2 LYS 61 HE2 LYS 61 39.971 -4.103 20.445 450 HE3 LYS 61 HE3 LYS 61 41.567 -4.281 19.717 451 HZ1 LYS 61 HZ1 LYS 61 40.099 -6.336 21.278 452 HZ2 LYS 61 HZ2 LYS 61 41.681 -6.515 20.705 453 HZ3 LYS 61 HZ3 LYS 61 40.399 -6.358 19.612 454 H THR 62 H THR 62 40.607 -0.542 25.793 455 HA THR 62 HA THR 62 42.988 0.657 27.052 456 HB THR 62 HB THR 62 41.479 1.689 28.701 457 HG1 THR 62 HG1 THR 62 39.449 1.109 28.780 458 HG21 THR 62 HG21 THR 62 40.162 2.685 26.309 459 HG22 THR 62 HG22 THR 62 41.900 2.489 26.084 460 HG23 THR 62 HG23 THR 62 41.290 3.496 27.396 461 H THR 63 H THR 63 43.729 -0.179 28.961 462 HA THR 63 HA THR 63 42.652 -2.797 29.702 463 HB THR 63 HB THR 63 45.072 -2.631 29.222 464 HG1 THR 63 HG1 THR 63 44.501 -4.256 30.633 465 HG21 THR 63 HG21 THR 63 46.459 -1.147 30.194 466 HG22 THR 63 HG22 THR 63 45.698 -1.324 31.774 467 HG23 THR 63 HG23 THR 63 44.982 -0.259 30.565 468 H LEU 64 H LEU 64 42.990 0.438 30.895 469 HA LEU 64 HA LEU 64 42.636 -0.136 33.657 470 HB2 LEU 64 HB2 LEU 64 42.908 2.195 31.974 471 HB3 LEU 64 HB3 LEU 64 41.656 2.435 33.191 472 HG LEU 64 HG LEU 64 43.910 3.266 33.848 473 HD11 LEU 64 HD11 LEU 64 43.317 2.942 35.968 474 HD12 LEU 64 HD12 LEU 64 43.528 1.196 35.843 475 HD13 LEU 64 HD13 LEU 64 42.007 1.939 35.346 476 HD21 LEU 64 HD21 LEU 64 44.741 0.439 34.308 477 HD22 LEU 64 HD22 LEU 64 45.728 1.892 34.146 478 HD23 LEU 64 HD23 LEU 64 44.987 1.164 32.720 Start of MODEL 14 1 H1 ALA 1 H ALA 1 4.119 -7.902 -3.852 2 HA ALA 1 HA ALA 1 6.969 -7.658 -3.222 3 HB1 ALA 1 HB1 ALA 1 7.099 -9.839 -4.527 4 HB2 ALA 1 HB2 ALA 1 6.249 -9.880 -2.981 5 HB3 ALA 1 HB3 ALA 1 5.335 -9.838 -4.488 6 H LYS 2 H LYS 2 4.678 -7.159 -5.774 7 HA LYS 2 HA LYS 2 6.778 -6.845 -7.779 8 HB2 LYS 2 HB2 LYS 2 4.725 -8.041 -8.409 9 HB3 LYS 2 HB3 LYS 2 3.772 -6.613 -8.029 10 HG2 LYS 2 HG2 LYS 2 4.882 -5.381 -9.810 11 HG3 LYS 2 HG3 LYS 2 5.876 -6.793 -10.178 12 HD2 LYS 2 HD2 LYS 2 3.736 -8.052 -10.600 13 HD3 LYS 2 HD3 LYS 2 2.890 -6.507 -10.478 14 HE2 LYS 2 HE2 LYS 2 5.082 -7.169 -12.442 15 HE3 LYS 2 HE3 LYS 2 3.359 -7.108 -12.808 16 HZ1 LYS 2 HZ1 LYS 2 4.868 -4.787 -11.748 17 HZ2 LYS 2 HZ2 LYS 2 3.315 -4.793 -12.415 18 HZ3 LYS 2 HZ3 LYS 2 4.660 -5.072 -13.403 19 H ALA 3 H ALA 3 4.654 -4.962 -5.777 20 HA ALA 3 HA ALA 3 5.166 -2.502 -7.233 21 HB1 ALA 3 HB1 ALA 3 3.472 -1.569 -6.038 22 HB2 ALA 3 HB2 ALA 3 3.012 -3.266 -5.878 23 HB3 ALA 3 HB3 ALA 3 3.870 -2.457 -4.567 24 H CYS 4 H CYS 4 7.240 -4.162 -5.670 25 HA CYS 4 HA CYS 4 8.107 -2.694 -3.446 26 HB2 CYS 4 HB2 CYS 4 10.289 -3.802 -3.810 27 HB3 CYS 4 HB3 CYS 4 8.942 -4.933 -3.904 28 H THR 5 H THR 5 10.683 -1.949 -3.785 29 HA THR 5 HA THR 5 10.449 0.351 -5.607 30 HB THR 5 HB THR 5 12.246 0.098 -3.190 31 HG1 THR 5 HG1 THR 5 10.145 0.224 -2.453 32 HG21 THR 5 HG21 THR 5 11.451 2.670 -4.484 33 HG22 THR 5 HG22 THR 5 12.742 1.706 -5.200 34 HG23 THR 5 HG23 THR 5 12.890 2.285 -3.541 35 HA PRO 6 HA PRO 6 13.711 -2.196 -7.586 36 HB2 PRO 6 HB2 PRO 6 13.128 -1.357 -10.101 37 HB3 PRO 6 HB3 PRO 6 12.267 -2.680 -9.306 38 HG2 PRO 6 HG2 PRO 6 11.464 0.187 -9.613 39 HG3 PRO 6 HG3 PRO 6 10.480 -1.277 -9.804 40 HD2 PRO 6 HD2 PRO 6 10.415 0.240 -7.563 41 HD3 PRO 6 HD3 PRO 6 10.174 -1.518 -7.533 42 H LEU 7 H LEU 7 15.066 -1.227 -9.686 43 HA LEU 7 HA LEU 7 16.692 0.793 -8.550 44 HB2 LEU 7 HB2 LEU 7 17.214 -1.076 -10.306 45 HB3 LEU 7 HB3 LEU 7 16.749 0.166 -11.468 46 HG LEU 7 HG LEU 7 18.584 1.423 -9.794 47 HD11 LEU 7 HD11 LEU 7 20.499 -0.360 -10.349 48 HD12 LEU 7 HD12 LEU 7 19.156 -1.463 -10.049 49 HD13 LEU 7 HD13 LEU 7 19.644 -0.312 -8.806 50 HD21 LEU 7 HD21 LEU 7 18.891 2.063 -11.922 51 HD22 LEU 7 HD22 LEU 7 18.399 0.498 -12.571 52 HD23 LEU 7 HD23 LEU 7 20.044 0.730 -11.978 53 H LEU 8 H LEU 8 17.117 2.912 -9.337 54 HA LEU 8 HA LEU 8 16.571 4.988 -10.093 55 HB2 LEU 8 HB2 LEU 8 14.576 3.717 -11.939 56 HB3 LEU 8 HB3 LEU 8 15.452 5.232 -12.147 57 HG LEU 8 HG LEU 8 16.805 2.542 -12.174 58 HD11 LEU 8 HD11 LEU 8 16.832 3.285 -14.749 59 HD12 LEU 8 HD12 LEU 8 15.262 3.931 -14.270 60 HD13 LEU 8 HD13 LEU 8 15.610 2.215 -14.060 61 HD21 LEU 8 HD21 LEU 8 18.399 4.035 -13.603 62 HD22 LEU 8 HD22 LEU 8 18.458 4.109 -11.842 63 HD23 LEU 8 HD23 LEU 8 17.606 5.359 -12.751 64 H HIS 9 H HIS 9 15.101 3.669 -7.923 65 HA HIS 9 HA HIS 9 12.745 5.422 -7.942 66 HB2 HIS 9 HB2 HIS 9 12.808 2.487 -7.633 67 HB3 HIS 9 HB3 HIS 9 11.839 3.343 -6.436 68 HD1 HIS 9 HD1 HIS 9 9.924 4.940 -7.473 69 HD2 HIS 9 HD2 HIS 9 11.587 2.131 -10.042 70 HE1 HIS 9 HE1 HIS 9 8.313 4.751 -9.395 71 H ASP 10 H ASP 10 12.380 6.500 -6.074 72 HA ASP 10 HA ASP 10 14.422 6.766 -4.183 73 HB2 ASP 10 HB2 ASP 10 12.543 7.896 -2.804 74 HB3 ASP 10 HB3 ASP 10 12.993 8.608 -4.351 75 H CYS 11 H CYS 11 14.703 6.016 -2.105 76 HA CYS 11 HA CYS 11 12.850 3.942 -1.160 77 HB2 CYS 11 HB2 CYS 11 14.683 2.485 -0.547 78 HB3 CYS 11 HB3 CYS 11 14.799 2.866 -2.263 79 H SER 12 H SER 12 13.489 6.806 -0.464 80 HA SER 12 HA SER 12 14.893 7.009 1.927 81 HB2 SER 12 HB2 SER 12 14.081 8.941 0.589 82 HB3 SER 12 HB3 SER 12 12.439 8.598 1.137 83 HG SER 12 HG SER 12 14.640 9.205 2.826 84 H HIS 13 H HIS 13 11.774 5.672 1.284 85 HA HIS 13 HA HIS 13 10.570 5.886 3.798 86 HB2 HIS 13 HB2 HIS 13 10.271 4.043 1.471 87 HB3 HIS 13 HB3 HIS 13 9.510 3.588 2.993 88 HD1 HIS 13 HD1 HIS 13 8.110 5.870 4.029 89 HD2 HIS 13 HD2 HIS 13 8.520 5.376 -0.076 90 HE1 HIS 13 HE1 HIS 13 6.283 7.258 2.999 91 H ASP 14 H ASP 14 12.771 3.436 2.499 92 HA ASP 14 HA ASP 14 13.752 2.797 5.101 93 HB2 ASP 14 HB2 ASP 14 11.644 1.116 3.902 94 HB3 ASP 14 HB3 ASP 14 13.048 0.239 4.501 95 H ARG 15 H ARG 15 15.833 2.346 4.841 96 HA ARG 15 HA ARG 15 17.134 2.177 2.416 97 HB2 ARG 15 HB2 ARG 15 19.004 1.075 3.778 98 HB3 ARG 15 HB3 ARG 15 18.465 2.669 4.286 99 HG2 ARG 15 HG2 ARG 15 17.001 0.516 5.583 100 HG3 ARG 15 HG3 ARG 15 18.737 0.464 5.895 101 HD2 ARG 15 HD2 ARG 15 17.294 3.064 6.120 102 HD3 ARG 15 HD3 ARG 15 17.134 1.881 7.417 103 HE ARG 15 HE ARG 15 19.843 2.133 6.892 104 HH11 ARG 15 HH11 ARG 15 17.232 4.150 8.003 105 HH12 ARG 15 HH12 ARG 15 18.254 5.170 8.962 106 HH21 ARG 15 HH21 ARG 15 21.199 3.468 8.150 107 HH22 ARG 15 HH22 ARG 15 20.510 4.782 9.043 108 H HIS 16 H HIS 16 15.705 -0.383 4.337 109 HA HIS 16 HA HIS 16 16.666 -2.398 2.437 110 HB2 HIS 16 HB2 HIS 16 15.578 -2.510 5.224 111 HB3 HIS 16 HB3 HIS 16 15.463 -3.936 4.195 112 HD1 HIS 16 HD1 HIS 16 17.454 -2.912 6.779 113 HD2 HIS 16 HD2 HIS 16 18.369 -4.115 2.910 114 HE1 HIS 16 HE1 HIS 16 19.854 -3.655 6.857 115 H SER 17 H SER 17 14.684 -0.521 1.599 116 HA SER 17 HA SER 17 12.223 -2.114 1.515 117 HB2 SER 17 HB2 SER 17 12.221 0.373 2.130 118 HB3 SER 17 HB3 SER 17 12.568 0.679 0.427 119 HG SER 17 HG SER 17 10.219 0.140 1.581 120 H CYS 18 H CYS 18 14.820 -0.910 -0.468 121 HA CYS 18 HA CYS 18 13.780 -1.125 -3.013 122 HB2 CYS 18 HB2 CYS 18 16.545 -1.681 -1.949 123 HB3 CYS 18 HB3 CYS 18 16.172 -1.776 -3.667 124 H CYS 19 H CYS 19 13.743 -2.774 -4.579 125 HA CYS 19 HA CYS 19 12.801 -5.256 -3.727 126 HB2 CYS 19 HB2 CYS 19 14.032 -4.567 -6.404 127 HB3 CYS 19 HB3 CYS 19 12.999 -5.953 -6.070 128 H ARG 20 H ARG 20 13.939 -7.315 -4.914 129 HA ARG 20 HA ARG 20 16.742 -7.359 -4.020 130 HB2 ARG 20 HB2 ARG 20 16.203 -9.809 -3.363 131 HB3 ARG 20 HB3 ARG 20 15.725 -8.513 -2.276 132 HG2 ARG 20 HG2 ARG 20 13.456 -8.649 -2.985 133 HG3 ARG 20 HG3 ARG 20 13.876 -9.752 -4.296 134 HD2 ARG 20 HD2 ARG 20 12.915 -11.039 -2.527 135 HD3 ARG 20 HD3 ARG 20 14.642 -11.389 -2.581 136 HE ARG 20 HE ARG 20 14.817 -10.561 -0.466 137 HH11 ARG 20 HH11 ARG 20 11.895 -9.328 -1.902 138 HH12 ARG 20 HH12 ARG 20 11.355 -8.550 -0.451 139 HH21 ARG 20 HH21 ARG 20 14.117 -9.540 1.451 140 HH22 ARG 20 HH22 ARG 20 12.619 -8.671 1.455 141 H GLY 21 H GLY 21 14.245 -8.801 -6.061 142 HA2 GLY 21 HA2 GLY 21 14.376 -9.824 -8.112 143 HA3 GLY 21 HA3 GLY 21 15.951 -9.064 -8.286 144 H ASP 22 H ASP 22 15.476 -11.560 -9.335 145 HA ASP 22 HA ASP 22 16.486 -13.548 -7.480 146 HB2 ASP 22 HB2 ASP 22 14.736 -14.098 -9.172 147 HB3 ASP 22 HB3 ASP 22 15.927 -13.819 -10.440 148 H MET 23 H MET 23 17.739 -11.319 -9.734 149 HA MET 23 HA MET 23 20.192 -12.816 -10.188 150 HB2 MET 23 HB2 MET 23 19.402 -10.041 -11.093 151 HB3 MET 23 HB3 MET 23 20.835 -10.920 -11.610 152 HG2 MET 23 HG2 MET 23 18.011 -11.840 -12.083 153 HG3 MET 23 HG3 MET 23 18.985 -10.950 -13.251 154 HE1 MET 23 HE1 MET 23 18.000 -12.747 -14.572 155 HE2 MET 23 HE2 MET 23 19.481 -13.277 -15.370 156 HE3 MET 23 HE3 MET 23 18.445 -14.454 -14.561 157 H PHE 24 H PHE 24 19.677 -9.414 -9.273 158 HA PHE 24 HA PHE 24 21.510 -9.773 -7.016 159 HB2 PHE 24 HB2 PHE 24 21.875 -7.870 -9.317 160 HB3 PHE 24 HB3 PHE 24 22.552 -7.515 -7.731 161 HD1 PHE 24 HD2 PHE 24 23.840 -9.641 -6.682 162 HD2 PHE 24 HD1 PHE 24 23.281 -8.848 -10.827 163 HE1 PHE 24 HE2 PHE 24 25.802 -11.031 -7.209 164 HE2 PHE 24 HE1 PHE 24 25.241 -10.238 -11.360 165 HZ PHE 24 HZ PHE 24 26.503 -11.331 -9.550 166 H LYS 25 H LYS 25 21.391 -8.076 -5.430 167 HA LYS 25 HA LYS 25 18.728 -6.870 -5.341 168 HB2 LYS 25 HB2 LYS 25 19.254 -8.158 -3.398 169 HB3 LYS 25 HB3 LYS 25 20.819 -7.372 -3.225 170 HG2 LYS 25 HG2 LYS 25 19.885 -5.412 -2.403 171 HG3 LYS 25 HG3 LYS 25 18.286 -5.788 -3.049 172 HD2 LYS 25 HD2 LYS 25 18.139 -6.137 -0.718 173 HD3 LYS 25 HD3 LYS 25 18.250 -7.746 -1.436 174 HE2 LYS 25 HE2 LYS 25 20.759 -6.376 -0.601 175 HE3 LYS 25 HE3 LYS 25 19.719 -7.064 0.646 176 HZ1 LYS 25 HZ1 LYS 25 20.982 -8.492 -1.627 177 HZ2 LYS 25 HZ2 LYS 25 19.809 -9.185 -0.625 178 HZ3 LYS 25 HZ3 LYS 25 21.296 -8.705 0.022 179 H TYR 26 H TYR 26 18.374 -4.724 -5.384 180 HA TYR 26 HA TYR 26 20.496 -2.990 -6.191 181 HB2 TYR 26 HB2 TYR 26 17.739 -2.124 -5.332 182 HB3 TYR 26 HB3 TYR 26 18.828 -1.319 -6.456 183 HD1 TYR 26 HD2 TYR 26 19.592 -3.136 -8.423 184 HD2 TYR 26 HD1 TYR 26 15.878 -3.005 -6.352 185 HE1 TYR 26 HE2 TYR 26 18.508 -4.290 -10.305 186 HE2 TYR 26 HE1 TYR 26 14.784 -4.159 -8.228 187 HH TYR 26 HH TYR 26 16.395 -4.682 -11.254 188 H VAL 27 H VAL 27 21.416 -1.272 -5.095 189 HA VAL 27 HA VAL 27 21.137 -1.380 -2.169 190 HB VAL 27 HB VAL 27 23.354 -0.159 -2.178 191 HG11 VAL 27 HG11 VAL 27 23.456 -2.863 -3.494 192 HG12 VAL 27 HG12 VAL 27 24.618 -2.156 -2.370 193 HG13 VAL 27 HG13 VAL 27 23.016 -2.628 -1.802 194 HG21 VAL 27 HG21 VAL 27 24.692 -0.170 -4.160 195 HG22 VAL 27 HG22 VAL 27 23.461 -1.065 -5.051 196 HG23 VAL 27 HG23 VAL 27 23.154 0.598 -4.552 197 H CYS 28 H CYS 28 20.535 0.376 -1.028 198 HA CYS 28 HA CYS 28 19.363 2.582 -2.406 199 HB2 CYS 28 HB2 CYS 28 19.672 1.754 0.443 200 HB3 CYS 28 HB3 CYS 28 19.295 3.442 0.111 201 H ASP 29 H ASP 29 20.588 4.079 -3.347 202 HA ASP 29 HA ASP 29 23.005 5.009 -1.950 203 HB2 ASP 29 HB2 ASP 29 22.709 4.157 -4.561 204 HB3 ASP 29 HB3 ASP 29 22.666 5.912 -4.712 205 H CYS 30 H CYS 30 23.276 7.133 -1.448 206 HA CYS 30 HA CYS 30 20.988 8.908 -1.994 207 HB2 CYS 30 HB2 CYS 30 22.875 8.878 0.370 208 HB3 CYS 30 HB3 CYS 30 21.635 10.097 0.095 209 H PHE 31 H PHE 31 21.350 10.930 -2.787 210 HA PHE 31 HA PHE 31 24.087 11.908 -3.030 211 HB2 PHE 31 HB2 PHE 31 23.899 12.298 -5.427 212 HB3 PHE 31 HB3 PHE 31 23.680 10.586 -5.080 213 HD1 PHE 31 HD2 PHE 31 21.528 9.520 -5.370 214 HD2 PHE 31 HD1 PHE 31 22.068 13.655 -6.220 215 HE1 PHE 31 HE2 PHE 31 19.390 9.545 -6.586 216 HE2 PHE 31 HE1 PHE 31 19.930 13.687 -7.439 217 HZ PHE 31 HZ PHE 31 18.590 11.631 -7.624 218 H TYR 32 H TYR 32 23.726 14.063 -4.620 219 HA TYR 32 HA TYR 32 21.499 15.564 -3.424 220 HB2 TYR 32 HB2 TYR 32 24.228 16.781 -3.793 221 HB3 TYR 32 HB3 TYR 32 22.877 17.391 -2.842 222 HD1 TYR 32 HD2 TYR 32 25.574 14.882 -2.960 223 HD2 TYR 32 HD1 TYR 32 22.505 16.645 -0.598 224 HE1 TYR 32 HE2 TYR 32 26.507 13.805 -0.955 225 HE2 TYR 32 HE1 TYR 32 23.430 15.574 1.414 226 HH TYR 32 HH TYR 32 25.352 13.082 1.450 227 HA PRO 33 HA PRO 33 20.706 17.055 -7.476 228 HB2 PRO 33 HB2 PRO 33 19.668 19.503 -6.928 229 HB3 PRO 33 HB3 PRO 33 18.793 17.998 -6.619 230 HG2 PRO 33 HG2 PRO 33 20.338 19.717 -4.715 231 HG3 PRO 33 HG3 PRO 33 18.766 18.927 -4.487 232 HD2 PRO 33 HD2 PRO 33 21.066 17.910 -3.484 233 HD3 PRO 33 HD3 PRO 33 19.720 16.882 -4.016 234 H GLU 34 H GLU 34 23.090 18.374 -5.523 235 HA GLU 34 HA GLU 34 24.958 19.600 -5.961 236 HB2 GLU 34 HB2 GLU 34 24.690 18.234 -8.186 237 HB3 GLU 34 HB3 GLU 34 24.236 19.794 -8.859 238 HG2 GLU 34 HG2 GLU 34 26.374 20.727 -8.094 239 HG3 GLU 34 HG3 GLU 34 26.829 19.140 -7.477 240 H GLY 35 H GLY 35 22.317 20.828 -5.440 241 HA2 GLY 35 HA2 GLY 35 23.081 23.552 -6.125 242 HA3 GLY 35 HA3 GLY 35 21.533 23.008 -6.757 243 H GLU 36 H GLU 36 20.283 21.729 -4.864 244 HA GLU 36 HA GLU 36 20.061 23.705 -2.709 245 HB2 GLU 36 HB2 GLU 36 18.150 21.685 -3.859 246 HB3 GLU 36 HB3 GLU 36 17.851 22.442 -2.300 247 HG2 GLU 36 HG2 GLU 36 17.678 24.588 -3.264 248 HG3 GLU 36 HG3 GLU 36 18.331 24.028 -4.803 249 H ASP 37 H ASP 37 21.559 23.088 -1.213 250 HA ASP 37 HA ASP 37 21.814 20.331 -0.395 251 HB2 ASP 37 HB2 ASP 37 23.022 22.639 1.097 252 HB3 ASP 37 HB3 ASP 37 23.655 21.011 0.867 253 H LYS 38 H LYS 38 19.267 20.789 0.016 254 HA LYS 38 HA LYS 38 18.996 21.363 2.895 255 HB2 LYS 38 HB2 LYS 38 17.748 22.813 1.160 256 HB3 LYS 38 HB3 LYS 38 16.714 21.407 0.936 257 HG2 LYS 38 HG2 LYS 38 15.622 22.813 2.484 258 HG3 LYS 38 HG3 LYS 38 16.281 21.464 3.413 259 HD2 LYS 38 HD2 LYS 38 18.244 22.899 3.970 260 HD3 LYS 38 HD3 LYS 38 17.424 24.246 3.176 261 HE2 LYS 38 HE2 LYS 38 15.527 23.951 4.747 262 HE3 LYS 38 HE3 LYS 38 16.453 22.702 5.578 263 HZ1 LYS 38 HZ1 LYS 38 17.372 24.300 6.781 264 HZ2 LYS 38 HZ2 LYS 38 16.592 25.504 5.886 265 HZ3 LYS 38 HZ3 LYS 38 18.101 24.923 5.387 266 H THR 39 H THR 39 18.401 19.099 0.325 267 HA THR 39 HA THR 39 17.719 17.065 2.301 268 HB THR 39 HB THR 39 15.532 17.849 1.582 269 HG1 THR 39 HG1 THR 39 15.560 15.660 1.910 270 HG21 THR 39 HG21 THR 39 14.968 18.354 -0.538 271 HG22 THR 39 HG22 THR 39 15.776 16.929 -1.193 272 HG23 THR 39 HG23 THR 39 16.708 18.381 -0.826 273 H GLU 40 H GLU 40 18.299 14.987 1.712 274 HA GLU 40 HA GLU 40 20.006 14.816 -0.665 275 HB2 GLU 40 HB2 GLU 40 19.835 12.800 1.568 276 HB3 GLU 40 HB3 GLU 40 21.119 12.995 0.384 277 HG2 GLU 40 HG2 GLU 40 22.094 13.958 2.200 278 HG3 GLU 40 HG3 GLU 40 21.329 15.371 1.476 279 H VAL 41 H VAL 41 19.511 13.558 -2.355 280 HA VAL 41 HA VAL 41 16.952 12.192 -2.357 281 HB VAL 41 HB VAL 41 18.910 12.327 -4.644 282 HG11 VAL 41 HG11 VAL 41 17.211 10.789 -5.132 283 HG12 VAL 41 HG12 VAL 41 15.965 11.795 -4.391 284 HG13 VAL 41 HG13 VAL 41 16.698 12.279 -5.921 285 HG21 VAL 41 HG21 VAL 41 16.931 14.380 -3.697 286 HG22 VAL 41 HG22 VAL 41 18.642 14.591 -4.067 287 HG23 VAL 41 HG23 VAL 41 17.487 14.311 -5.369 288 H CYS 42 H CYS 42 16.779 10.142 -1.764 289 HA CYS 42 HA CYS 42 19.087 8.356 -2.154 290 HB2 CYS 42 HB2 CYS 42 16.823 8.196 -0.156 291 HB3 CYS 42 HB3 CYS 42 18.064 6.964 -0.355 292 H SER 43 H SER 43 18.868 7.073 -3.855 293 HA SER 43 HA SER 43 16.233 5.871 -4.377 294 HB2 SER 43 HB2 SER 43 16.504 6.137 -6.744 295 HB3 SER 43 HB3 SER 43 16.804 7.712 -6.009 296 HG SER 43 HG SER 43 18.645 5.889 -7.117 297 H CYS 44 H CYS 44 16.430 3.913 -5.833 298 HA CYS 44 HA CYS 44 18.428 2.163 -4.711 299 HB2 CYS 44 HB2 CYS 44 16.282 1.609 -6.772 300 HB3 CYS 44 HB3 CYS 44 17.254 0.393 -5.950 301 H GLN 45 H GLN 45 20.339 1.716 -5.573 302 HA GLN 45 HA GLN 45 20.700 2.062 -8.472 303 HB2 GLN 45 HB2 GLN 45 22.564 2.946 -6.268 304 HB3 GLN 45 HB3 GLN 45 23.030 2.858 -7.961 305 HG2 GLN 45 HG2 GLN 45 20.587 4.394 -7.389 306 HG3 GLN 45 HG3 GLN 45 22.090 5.075 -6.767 307 HE21 GLN 45 HE21 GLN 45 20.251 4.280 -9.585 308 HE22 GLN 45 HE22 GLN 45 21.257 5.094 -10.730 309 H GLN 46 H GLN 46 22.612 0.884 -9.321 310 HA GLN 46 HA GLN 46 22.667 -1.784 -8.196 311 HB2 GLN 46 HB2 GLN 46 23.148 -0.576 -10.791 312 HB3 GLN 46 HB3 GLN 46 24.419 -1.714 -10.365 313 HG2 GLN 46 HG2 GLN 46 23.100 -3.475 -10.687 314 HG3 GLN 46 HG3 GLN 46 21.758 -2.740 -9.813 315 HE21 GLN 46 HE21 GLN 46 20.053 -2.900 -11.093 316 HE22 GLN 46 HE22 GLN 46 19.989 -2.423 -12.752 317 HA PRO 47 HA PRO 47 26.566 -1.625 -6.196 318 HB2 PRO 47 HB2 PRO 47 27.629 -4.048 -6.804 319 HB3 PRO 47 HB3 PRO 47 26.282 -3.846 -5.677 320 HG2 PRO 47 HG2 PRO 47 26.235 -4.648 -8.560 321 HG3 PRO 47 HG3 PRO 47 25.320 -5.318 -7.198 322 HD2 PRO 47 HD2 PRO 47 24.240 -3.566 -8.956 323 HD3 PRO 47 HD3 PRO 47 23.760 -3.622 -7.247 324 H LYS 48 H LYS 48 26.485 -0.472 -8.901 325 HA LYS 48 HA LYS 48 27.877 0.237 -10.560 326 HB2 LYS 48 HB2 LYS 48 29.671 -0.145 -8.196 327 HB3 LYS 48 HB3 LYS 48 30.388 0.261 -9.750 328 HG2 LYS 48 HG2 LYS 48 28.358 2.085 -9.554 329 HG3 LYS 48 HG3 LYS 48 28.896 1.927 -7.880 330 HD2 LYS 48 HD2 LYS 48 31.151 2.477 -8.491 331 HD3 LYS 48 HD3 LYS 48 30.744 2.438 -10.208 332 HE2 LYS 48 HE2 LYS 48 30.439 4.644 -10.022 333 HE3 LYS 48 HE3 LYS 48 28.937 4.242 -9.190 334 HZ1 LYS 48 HZ1 LYS 48 30.556 5.832 -8.052 335 HZ2 LYS 48 HZ2 LYS 48 31.485 4.460 -7.714 336 HZ3 LYS 48 HZ3 LYS 48 29.905 4.578 -7.120 337 H SER 49 H SER 49 27.189 -1.924 -11.543 338 HA SER 49 HA SER 49 29.541 -3.648 -11.952 339 HB2 SER 49 HB2 SER 49 26.586 -4.210 -12.068 340 HB3 SER 49 HB3 SER 49 27.748 -5.275 -12.859 341 HG SER 49 HG SER 49 28.281 -6.049 -10.983 342 H HIS 50 H HIS 50 30.052 -4.343 -14.067 343 HA HIS 50 HA HIS 50 28.665 -3.551 -16.384 344 HB2 HIS 50 HB2 HIS 50 29.767 -1.359 -15.345 345 HB3 HIS 50 HB3 HIS 50 31.180 -1.963 -16.203 346 HD1 HIS 50 HD1 HIS 50 28.979 0.521 -16.766 347 HD2 HIS 50 HD2 HIS 50 29.824 -2.881 -18.996 348 HE1 HIS 50 HE1 HIS 50 28.246 1.055 -19.111 349 H LYS 51 H LYS 51 31.863 -4.180 -15.002 350 HA LYS 51 HA LYS 51 32.264 -6.474 -16.625 351 HB2 LYS 51 HB2 LYS 51 32.705 -4.475 -18.197 352 HB3 LYS 51 HB3 LYS 51 34.171 -4.234 -17.256 353 HG2 LYS 51 HG2 LYS 51 34.322 -6.891 -17.833 354 HG3 LYS 51 HG3 LYS 51 33.539 -6.249 -19.279 355 HD2 LYS 51 HD2 LYS 51 35.446 -4.420 -19.043 356 HD3 LYS 51 HD3 LYS 51 36.261 -5.737 -18.198 357 HE2 LYS 51 HE2 LYS 51 36.577 -6.914 -20.087 358 HE3 LYS 51 HE3 LYS 51 34.981 -6.513 -20.720 359 HZ1 LYS 51 HZ1 LYS 51 37.099 -4.467 -20.650 360 HZ2 LYS 51 HZ2 LYS 51 35.747 -4.569 -21.662 361 HZ3 LYS 51 HZ3 LYS 51 37.062 -5.605 -21.902 362 H ILE 52 H ILE 52 32.348 -6.515 -14.041 363 HA ILE 52 HA ILE 52 35.194 -6.378 -13.285 364 HB ILE 52 HB ILE 52 32.850 -6.346 -11.384 365 HG12 ILE 52 HG12 ILE 52 32.809 -4.326 -12.766 366 HG13 ILE 52 HG13 ILE 52 33.298 -3.938 -11.120 367 HG21 ILE 52 HG21 ILE 52 35.013 -5.189 -10.151 368 HG22 ILE 52 HG22 ILE 52 34.469 -6.852 -9.931 369 HG23 ILE 52 HG23 ILE 52 35.745 -6.490 -11.092 370 HD11 ILE 52 HD11 ILE 52 35.159 -3.010 -11.861 371 HD12 ILE 52 HD12 ILE 52 35.614 -4.498 -12.693 372 HD13 ILE 52 HD13 ILE 52 34.612 -3.302 -13.513 373 H ALA 53 H ALA 53 32.532 -8.414 -13.828 374 HA ALA 53 HA ALA 53 33.668 -10.590 -12.226 375 HB1 ALA 53 HB1 ALA 53 30.994 -10.153 -13.505 376 HB2 ALA 53 HB2 ALA 53 31.512 -11.765 -13.007 377 HB3 ALA 53 HB3 ALA 53 31.382 -10.472 -11.814 378 H GLU 54 H GLU 54 32.127 -10.400 -15.440 379 HA GLU 54 HA GLU 54 32.564 -11.496 -17.389 380 HB2 GLU 54 HB2 GLU 54 34.651 -9.958 -16.948 381 HB3 GLU 54 HB3 GLU 54 35.480 -11.492 -16.723 382 HG2 GLU 54 HG2 GLU 54 34.155 -11.941 -19.048 383 HG3 GLU 54 HG3 GLU 54 34.500 -10.217 -19.169 384 H LYS 55 H LYS 55 31.587 -13.448 -16.629 385 HA LYS 55 HA LYS 55 33.476 -15.553 -15.830 386 HB2 LYS 55 HB2 LYS 55 31.480 -16.815 -15.113 387 HB3 LYS 55 HB3 LYS 55 31.613 -15.263 -14.297 388 HG2 LYS 55 HG2 LYS 55 30.071 -14.676 -16.498 389 HG3 LYS 55 HG3 LYS 55 29.520 -16.286 -16.032 390 HD2 LYS 55 HD2 LYS 55 29.430 -15.319 -13.642 391 HD3 LYS 55 HD3 LYS 55 29.489 -13.745 -14.439 392 HE2 LYS 55 HE2 LYS 55 27.533 -15.677 -15.514 393 HE3 LYS 55 HE3 LYS 55 27.205 -15.066 -13.893 394 HZ1 LYS 55 HZ1 LYS 55 26.187 -13.480 -15.142 395 HZ2 LYS 55 HZ2 LYS 55 27.257 -13.631 -16.444 396 HZ3 LYS 55 HZ3 LYS 55 27.729 -12.791 -15.053 397 H ILE 56 H ILE 56 33.595 -17.490 -16.947 398 HA ILE 56 HA ILE 56 32.814 -17.342 -19.733 399 HB ILE 56 HB ILE 56 35.062 -18.159 -19.067 400 HG12 ILE 56 HG12 ILE 56 34.989 -20.239 -20.523 401 HG13 ILE 56 HG13 ILE 56 33.242 -20.030 -20.587 402 HG21 ILE 56 HG21 ILE 56 33.706 -20.685 -18.164 403 HG22 ILE 56 HG22 ILE 56 35.398 -20.221 -17.985 404 HG23 ILE 56 HG23 ILE 56 34.154 -19.399 -17.043 405 HD11 ILE 56 HD11 ILE 56 35.391 -18.486 -21.896 406 HD12 ILE 56 HD12 ILE 56 33.787 -18.928 -22.479 407 HD13 ILE 56 HD13 ILE 56 33.976 -17.588 -21.348 408 H ILE 57 H ILE 57 31.873 -19.053 -16.842 409 HA ILE 57 HA ILE 57 30.268 -21.001 -18.230 410 HB ILE 57 HB ILE 57 30.245 -20.289 -15.295 411 HG12 ILE 57 HG12 ILE 57 32.482 -20.979 -16.015 412 HG13 ILE 57 HG13 ILE 57 31.742 -22.224 -15.014 413 HG21 ILE 57 HG21 ILE 57 28.392 -21.568 -15.403 414 HG22 ILE 57 HG22 ILE 57 28.857 -22.297 -16.940 415 HG23 ILE 57 HG23 ILE 57 29.556 -22.893 -15.435 416 HD11 ILE 57 HD11 ILE 57 31.102 -22.767 -17.723 417 HD12 ILE 57 HD12 ILE 57 32.836 -22.466 -17.603 418 HD13 ILE 57 HD13 ILE 57 32.085 -23.712 -16.605 419 H ASP 58 H ASP 58 28.809 -19.808 -19.467 420 HA ASP 58 HA ASP 58 26.795 -18.300 -17.933 421 HB2 ASP 58 HB2 ASP 58 26.302 -17.090 -20.033 422 HB3 ASP 58 HB3 ASP 58 27.969 -16.865 -19.510 423 H LYS 59 H LYS 59 26.679 -21.090 -18.105 424 HA LYS 59 HA LYS 59 24.409 -21.498 -19.941 425 HB2 LYS 59 HB2 LYS 59 26.718 -22.892 -20.000 426 HB3 LYS 59 HB3 LYS 59 25.820 -23.859 -18.839 427 HG2 LYS 59 HG2 LYS 59 25.176 -24.912 -20.734 428 HG3 LYS 59 HG3 LYS 59 23.939 -23.653 -20.702 429 HD2 LYS 59 HD2 LYS 59 26.451 -22.902 -22.035 430 HD3 LYS 59 HD3 LYS 59 25.537 -24.185 -22.830 431 HE2 LYS 59 HE2 LYS 59 23.516 -22.569 -22.443 432 HE3 LYS 59 HE3 LYS 59 24.776 -21.344 -22.313 433 HZ1 LYS 59 HZ1 LYS 59 24.024 -22.987 -24.636 434 HZ2 LYS 59 HZ2 LYS 59 25.596 -22.375 -24.516 435 HZ3 LYS 59 HZ3 LYS 59 24.278 -21.316 -24.546 436 H ALA 60 H ALA 60 22.753 -20.935 -18.576 437 HA ALA 60 HA ALA 60 21.799 -22.888 -16.792 438 HB1 ALA 60 HB1 ALA 60 23.207 -20.549 -15.554 439 HB2 ALA 60 HB2 ALA 60 21.899 -21.381 -14.713 440 HB3 ALA 60 HB3 ALA 60 23.354 -22.264 -15.172 441 H LYS 61 H LYS 61 20.283 -22.146 -18.600 442 HA LYS 61 HA LYS 61 18.695 -19.824 -17.742 443 HB2 LYS 61 HB2 LYS 61 17.775 -19.793 -20.002 444 HB3 LYS 61 HB3 LYS 61 19.532 -19.725 -20.050 445 HG2 LYS 61 HG2 LYS 61 19.435 -21.380 -21.523 446 HG3 LYS 61 HG3 LYS 61 18.971 -22.430 -20.182 447 HD2 LYS 61 HD2 LYS 61 17.260 -22.813 -21.680 448 HD3 LYS 61 HD3 LYS 61 16.570 -21.528 -20.686 449 HE2 LYS 61 HE2 LYS 61 16.148 -20.989 -22.973 450 HE3 LYS 61 HE3 LYS 61 17.391 -19.887 -22.382 451 HZ1 LYS 61 HZ1 LYS 61 17.518 -21.728 -24.531 452 HZ2 LYS 61 HZ2 LYS 61 18.731 -22.073 -23.404 453 HZ3 LYS 61 HZ3 LYS 61 18.626 -20.529 -24.087 454 H THR 62 H THR 62 16.593 -20.041 -17.174 455 HA THR 62 HA THR 62 15.331 -22.678 -17.487 456 HB THR 62 HB THR 62 16.083 -22.728 -15.227 457 HG1 THR 62 HG1 THR 62 13.953 -23.431 -15.403 458 HG21 THR 62 HG21 THR 62 15.596 -19.886 -15.343 459 HG22 THR 62 HG22 THR 62 16.561 -20.811 -14.192 460 HG23 THR 62 HG23 THR 62 14.833 -20.594 -13.920 461 H THR 63 H THR 63 13.389 -22.528 -18.384 462 HA THR 63 HA THR 63 11.682 -20.232 -17.812 463 HB THR 63 HB THR 63 11.487 -20.811 -20.628 464 HG1 THR 63 HG1 THR 63 13.963 -19.626 -19.979 465 HG21 THR 63 HG21 THR 63 11.966 -18.424 -18.888 466 HG22 THR 63 HG22 THR 63 10.600 -18.782 -19.945 467 HG23 THR 63 HG23 THR 63 12.145 -18.286 -20.637 468 H LEU 64 H LEU 64 9.539 -20.593 -19.217 469 HA LEU 64 HA LEU 64 8.573 -23.204 -18.399 470 HB2 LEU 64 HB2 LEU 64 6.975 -21.047 -19.744 471 HB3 LEU 64 HB3 LEU 64 6.396 -22.355 -18.715 472 HG LEU 64 HG LEU 64 8.161 -20.811 -17.147 473 HD11 LEU 64 HD11 LEU 64 6.439 -19.193 -18.966 474 HD12 LEU 64 HD12 LEU 64 8.071 -18.875 -18.379 475 HD13 LEU 64 HD13 LEU 64 6.690 -18.658 -17.304 476 HD21 LEU 64 HD21 LEU 64 6.135 -22.112 -16.473 477 HD22 LEU 64 HD22 LEU 64 5.148 -20.802 -17.124 478 HD23 LEU 64 HD23 LEU 64 6.236 -20.497 -15.771 Start of MODEL 15 1 H1 ALA 1 H ALA 1 7.397 -10.245 -5.450 2 HA ALA 1 HA ALA 1 5.595 -8.075 -4.590 3 HB1 ALA 1 HB1 ALA 1 7.209 -7.128 -3.349 4 HB2 ALA 1 HB2 ALA 1 7.921 -8.742 -3.366 5 HB3 ALA 1 HB3 ALA 1 8.478 -7.522 -4.510 6 H LYS 2 H LYS 2 4.979 -6.817 -6.209 7 HA LYS 2 HA LYS 2 6.802 -6.467 -8.498 8 HB2 LYS 2 HB2 LYS 2 4.586 -7.698 -8.871 9 HB3 LYS 2 HB3 LYS 2 3.809 -6.141 -8.614 10 HG2 LYS 2 HG2 LYS 2 3.979 -6.154 -10.888 11 HG3 LYS 2 HG3 LYS 2 5.491 -5.347 -10.462 12 HD2 LYS 2 HD2 LYS 2 6.766 -7.261 -10.884 13 HD3 LYS 2 HD3 LYS 2 5.361 -8.325 -10.804 14 HE2 LYS 2 HE2 LYS 2 6.052 -8.091 -13.101 15 HE3 LYS 2 HE3 LYS 2 4.501 -7.282 -12.874 16 HZ1 LYS 2 HZ1 LYS 2 6.878 -6.206 -13.869 17 HZ2 LYS 2 HZ2 LYS 2 6.556 -5.436 -12.397 18 HZ3 LYS 2 HZ3 LYS 2 5.398 -5.421 -13.631 19 H ALA 3 H ALA 3 4.613 -4.914 -6.246 20 HA ALA 3 HA ALA 3 5.045 -2.290 -7.414 21 HB1 ALA 3 HB1 ALA 3 3.709 -2.577 -4.784 22 HB2 ALA 3 HB2 ALA 3 3.287 -1.569 -6.170 23 HB3 ALA 3 HB3 ALA 3 2.906 -3.291 -6.183 24 H CYS 4 H CYS 4 7.161 -4.028 -6.001 25 HA CYS 4 HA CYS 4 7.918 -2.681 -3.632 26 HB2 CYS 4 HB2 CYS 4 10.100 -3.812 -3.946 27 HB3 CYS 4 HB3 CYS 4 8.738 -4.916 -4.111 28 H THR 5 H THR 5 10.515 -1.966 -3.834 29 HA THR 5 HA THR 5 10.398 0.386 -5.601 30 HB THR 5 HB THR 5 12.070 0.032 -3.106 31 HG1 THR 5 HG1 THR 5 10.511 1.244 -2.082 32 HG21 THR 5 HG21 THR 5 11.411 2.605 -4.514 33 HG22 THR 5 HG22 THR 5 12.822 1.642 -4.954 34 HG23 THR 5 HG23 THR 5 12.672 2.291 -3.323 35 HA PRO 6 HA PRO 6 13.709 -2.165 -7.496 36 HB2 PRO 6 HB2 PRO 6 13.242 -1.267 -10.014 37 HB3 PRO 6 HB3 PRO 6 12.333 -2.596 -9.285 38 HG2 PRO 6 HG2 PRO 6 11.576 0.287 -9.566 39 HG3 PRO 6 HG3 PRO 6 10.586 -1.161 -9.829 40 HD2 PRO 6 HD2 PRO 6 10.442 0.310 -7.560 41 HD3 PRO 6 HD3 PRO 6 10.181 -1.446 -7.578 42 H LEU 7 H LEU 7 15.147 -1.156 -9.532 43 HA LEU 7 HA LEU 7 16.751 0.815 -8.280 44 HB2 LEU 7 HB2 LEU 7 17.378 -1.010 -10.007 45 HB3 LEU 7 HB3 LEU 7 16.888 0.186 -11.205 46 HG LEU 7 HG LEU 7 18.631 1.603 -9.626 47 HD11 LEU 7 HD11 LEU 7 19.212 -1.238 -9.342 48 HD12 LEU 7 HD12 LEU 7 19.819 0.144 -8.428 49 HD13 LEU 7 HD13 LEU 7 20.574 -0.303 -9.958 50 HD21 LEU 7 HD21 LEU 7 18.725 0.255 -12.260 51 HD22 LEU 7 HD22 LEU 7 20.257 0.823 -11.595 52 HD23 LEU 7 HD23 LEU 7 18.929 1.957 -11.846 53 H LEU 8 H LEU 8 17.293 2.927 -9.115 54 HA LEU 8 HA LEU 8 16.788 5.027 -9.825 55 HB2 LEU 8 HB2 LEU 8 14.836 3.789 -11.744 56 HB3 LEU 8 HB3 LEU 8 15.704 5.314 -11.904 57 HG LEU 8 HG LEU 8 17.046 2.615 -11.964 58 HD11 LEU 8 HD11 LEU 8 16.048 2.371 -13.952 59 HD12 LEU 8 HD12 LEU 8 17.191 3.597 -14.501 60 HD13 LEU 8 HD13 LEU 8 15.558 4.064 -14.026 61 HD21 LEU 8 HD21 LEU 8 18.925 3.824 -12.859 62 HD22 LEU 8 HD22 LEU 8 18.436 4.566 -11.335 63 HD23 LEU 8 HD23 LEU 8 18.003 5.328 -12.865 64 H HIS 9 H HIS 9 15.256 3.753 -7.696 65 HA HIS 9 HA HIS 9 12.911 5.517 -7.784 66 HB2 HIS 9 HB2 HIS 9 12.948 2.592 -7.475 67 HB3 HIS 9 HB3 HIS 9 11.996 3.439 -6.258 68 HD1 HIS 9 HD1 HIS 9 10.092 5.080 -7.272 69 HD2 HIS 9 HD2 HIS 9 11.688 2.249 -9.861 70 HE1 HIS 9 HE1 HIS 9 8.459 4.916 -9.177 71 H ASP 10 H ASP 10 12.458 6.576 -5.909 72 HA ASP 10 HA ASP 10 14.444 6.996 -4.025 73 HB2 ASP 10 HB2 ASP 10 11.487 7.343 -3.508 74 HB3 ASP 10 HB3 ASP 10 12.814 8.218 -2.749 75 H CYS 11 H CYS 11 14.772 6.319 -1.900 76 HA CYS 11 HA CYS 11 13.196 4.043 -0.948 77 HB2 CYS 11 HB2 CYS 11 15.349 2.890 -0.298 78 HB3 CYS 11 HB3 CYS 11 15.016 2.938 -2.026 79 H SER 12 H SER 12 13.610 6.929 -0.232 80 HA SER 12 HA SER 12 15.119 7.211 2.096 81 HB2 SER 12 HB2 SER 12 14.257 9.165 0.984 82 HB3 SER 12 HB3 SER 12 12.594 8.625 1.216 83 HG SER 12 HG SER 12 13.587 10.258 2.740 84 H HIS 13 H HIS 13 11.894 5.929 1.601 85 HA HIS 13 HA HIS 13 10.989 5.922 4.246 86 HB2 HIS 13 HB2 HIS 13 9.615 5.417 2.204 87 HB3 HIS 13 HB3 HIS 13 10.372 3.828 2.155 88 HD1 HIS 13 HD1 HIS 13 8.681 5.822 4.933 89 HD2 HIS 13 HD2 HIS 13 8.657 2.042 3.210 90 HE1 HIS 13 HE1 HIS 13 6.994 4.496 6.245 91 H ASP 14 H ASP 14 12.895 3.535 2.457 92 HA ASP 14 HA ASP 14 14.126 2.581 4.849 93 HB2 ASP 14 HB2 ASP 14 11.781 1.168 3.793 94 HB3 ASP 14 HB3 ASP 14 13.194 0.138 4.009 95 H ARG 15 H ARG 15 16.142 2.128 4.287 96 HA ARG 15 HA ARG 15 16.996 1.991 1.604 97 HB2 ARG 15 HB2 ARG 15 19.192 1.285 2.606 98 HB3 ARG 15 HB3 ARG 15 18.532 2.782 3.251 99 HG2 ARG 15 HG2 ARG 15 17.727 0.406 4.745 100 HG3 ARG 15 HG3 ARG 15 19.468 0.692 4.732 101 HD2 ARG 15 HD2 ARG 15 17.660 2.993 5.264 102 HD3 ARG 15 HD3 ARG 15 17.888 1.798 6.540 103 HE ARG 15 HE ARG 15 20.385 2.612 5.490 104 HH11 ARG 15 HH11 ARG 15 17.780 3.705 7.525 105 HH12 ARG 15 HH12 ARG 15 18.782 4.761 8.464 106 HH21 ARG 15 HH21 ARG 15 21.716 4.000 6.719 107 HH22 ARG 15 HH22 ARG 15 21.020 4.929 8.004 108 H HIS 16 H HIS 16 15.832 -0.401 3.783 109 HA HIS 16 HA HIS 16 16.875 -2.579 2.123 110 HB2 HIS 16 HB2 HIS 16 16.048 -4.060 3.936 111 HB3 HIS 16 HB3 HIS 16 17.209 -2.866 4.509 112 HD1 HIS 16 HD1 HIS 16 13.597 -3.812 4.729 113 HD2 HIS 16 HD2 HIS 16 16.196 -0.979 6.305 114 HE1 HIS 16 HE1 HIS 16 12.339 -2.721 6.614 115 H SER 17 H SER 17 14.368 -0.598 1.945 116 HA SER 17 HA SER 17 12.197 -2.465 1.650 117 HB2 SER 17 HB2 SER 17 11.627 -0.251 2.377 118 HB3 SER 17 HB3 SER 17 12.468 0.478 1.009 119 HG SER 17 HG SER 17 9.979 0.000 1.062 120 H CYS 18 H CYS 18 14.657 -1.132 -0.369 121 HA CYS 18 HA CYS 18 13.553 -1.243 -2.892 122 HB2 CYS 18 HB2 CYS 18 16.349 -1.908 -1.966 123 HB3 CYS 18 HB3 CYS 18 15.900 -1.805 -3.665 124 H CYS 19 H CYS 19 13.595 -2.837 -4.557 125 HA CYS 19 HA CYS 19 12.590 -5.330 -3.814 126 HB2 CYS 19 HB2 CYS 19 13.915 -4.581 -6.430 127 HB3 CYS 19 HB3 CYS 19 12.840 -5.953 -6.170 128 H ARG 20 H ARG 20 13.763 -7.345 -5.092 129 HA ARG 20 HA ARG 20 16.520 -7.470 -4.068 130 HB2 ARG 20 HB2 ARG 20 14.551 -9.752 -3.896 131 HB3 ARG 20 HB3 ARG 20 16.160 -9.671 -3.193 132 HG2 ARG 20 HG2 ARG 20 15.450 -8.002 -1.620 133 HG3 ARG 20 HG3 ARG 20 13.869 -7.890 -2.395 134 HD2 ARG 20 HD2 ARG 20 14.990 -10.332 -1.026 135 HD3 ARG 20 HD3 ARG 20 13.792 -9.233 -0.346 136 HE ARG 20 HE ARG 20 13.346 -11.295 -2.302 137 HH11 ARG 20 HH11 ARG 20 12.175 -8.298 -0.970 138 HH12 ARG 20 HH12 ARG 20 10.538 -8.564 -1.472 139 HH21 ARG 20 HH21 ARG 20 11.194 -11.656 -2.967 140 HH22 ARG 20 HH22 ARG 20 9.981 -10.475 -2.606 141 H GLY 21 H GLY 21 14.112 -8.993 -6.197 142 HA2 GLY 21 HA2 GLY 21 14.325 -9.944 -8.274 143 HA3 GLY 21 HA3 GLY 21 15.810 -9.021 -8.441 144 H ASP 22 H ASP 22 15.535 -11.551 -9.533 145 HA ASP 22 HA ASP 22 16.808 -13.448 -7.744 146 HB2 ASP 22 HB2 ASP 22 15.047 -14.105 -9.422 147 HB3 ASP 22 HB3 ASP 22 16.224 -13.775 -10.691 148 H MET 23 H MET 23 17.791 -11.002 -9.837 149 HA MET 23 HA MET 23 20.314 -12.254 -10.557 150 HB2 MET 23 HB2 MET 23 19.280 -9.468 -11.113 151 HB3 MET 23 HB3 MET 23 20.755 -10.161 -11.774 152 HG2 MET 23 HG2 MET 23 18.991 -12.024 -12.553 153 HG3 MET 23 HG3 MET 23 17.945 -10.607 -12.529 154 HE1 MET 23 HE1 MET 23 21.004 -12.340 -14.567 155 HE2 MET 23 HE2 MET 23 19.288 -12.741 -14.648 156 HE3 MET 23 HE3 MET 23 20.067 -11.922 -16.002 157 H PHE 24 H PHE 24 19.615 -9.019 -9.243 158 HA PHE 24 HA PHE 24 21.513 -9.486 -7.076 159 HB2 PHE 24 HB2 PHE 24 21.887 -7.551 -9.317 160 HB3 PHE 24 HB3 PHE 24 22.403 -7.068 -7.704 161 HD1 PHE 24 HD2 PHE 24 23.886 -8.833 -6.446 162 HD2 PHE 24 HD1 PHE 24 23.371 -8.669 -10.667 163 HE1 PHE 24 HE2 PHE 24 25.989 -10.073 -6.748 164 HE2 PHE 24 HE1 PHE 24 25.473 -9.909 -10.976 165 HZ PHE 24 HZ PHE 24 26.787 -10.612 -9.015 166 H LYS 25 H LYS 25 21.356 -7.947 -5.354 167 HA LYS 25 HA LYS 25 18.676 -6.822 -5.138 168 HB2 LYS 25 HB2 LYS 25 20.847 -7.472 -3.171 169 HB3 LYS 25 HB3 LYS 25 19.529 -6.399 -2.717 170 HG2 LYS 25 HG2 LYS 25 18.467 -8.256 -2.099 171 HG3 LYS 25 HG3 LYS 25 18.199 -8.517 -3.824 172 HD2 LYS 25 HD2 LYS 25 20.385 -9.761 -3.866 173 HD3 LYS 25 HD3 LYS 25 20.395 -9.658 -2.104 174 HE2 LYS 25 HE2 LYS 25 19.485 -11.776 -2.658 175 HE3 LYS 25 HE3 LYS 25 18.137 -10.767 -2.137 176 HZ1 LYS 25 HZ1 LYS 25 18.443 -10.457 -4.898 177 HZ2 LYS 25 HZ2 LYS 25 17.152 -11.161 -4.063 178 HZ3 LYS 25 HZ3 LYS 25 18.453 -12.116 -4.569 179 H TYR 26 H TYR 26 18.222 -4.689 -4.982 180 HA TYR 26 HA TYR 26 20.275 -2.826 -5.759 181 HB2 TYR 26 HB2 TYR 26 17.446 -2.152 -4.954 182 HB3 TYR 26 HB3 TYR 26 18.524 -1.228 -5.995 183 HD1 TYR 26 HD2 TYR 26 19.529 -3.261 -7.842 184 HD2 TYR 26 HD1 TYR 26 15.614 -2.718 -6.264 185 HE1 TYR 26 HE2 TYR 26 18.584 -4.380 -9.817 186 HE2 TYR 26 HE1 TYR 26 14.660 -3.837 -8.236 187 HH TYR 26 HH TYR 26 16.697 -5.369 -10.647 188 H VAL 27 H VAL 27 21.185 -1.215 -4.557 189 HA VAL 27 HA VAL 27 20.665 -1.313 -1.658 190 HB VAL 27 HB VAL 27 22.977 -0.255 -1.489 191 HG11 VAL 27 HG11 VAL 27 23.961 -2.323 -1.254 192 HG12 VAL 27 HG12 VAL 27 22.250 -2.754 -1.220 193 HG13 VAL 27 HG13 VAL 27 23.188 -2.976 -2.697 194 HG21 VAL 27 HG21 VAL 27 23.233 -1.304 -4.305 195 HG22 VAL 27 HG22 VAL 27 23.089 0.403 -3.884 196 HG23 VAL 27 HG23 VAL 27 24.488 -0.523 -3.340 197 H CYS 28 H CYS 28 20.214 0.529 -0.553 198 HA CYS 28 HA CYS 28 19.265 2.778 -2.015 199 HB2 CYS 28 HB2 CYS 28 18.469 1.857 0.274 200 HB3 CYS 28 HB3 CYS 28 19.794 2.803 0.944 201 H ASP 29 H ASP 29 20.351 4.491 -2.708 202 HA ASP 29 HA ASP 29 22.843 5.242 -1.337 203 HB2 ASP 29 HB2 ASP 29 22.735 4.122 -3.873 204 HB3 ASP 29 HB3 ASP 29 22.858 5.850 -4.188 205 H CYS 30 H CYS 30 23.107 7.372 -0.949 206 HA CYS 30 HA CYS 30 20.976 9.165 -1.890 207 HB2 CYS 30 HB2 CYS 30 22.833 9.499 0.477 208 HB3 CYS 30 HB3 CYS 30 21.496 10.562 0.047 209 H PHE 31 H PHE 31 21.442 11.071 -2.903 210 HA PHE 31 HA PHE 31 24.225 11.883 -3.210 211 HB2 PHE 31 HB2 PHE 31 23.745 12.159 -5.734 212 HB3 PHE 31 HB3 PHE 31 24.118 10.547 -5.131 213 HD1 PHE 31 HD2 PHE 31 22.320 8.883 -4.860 214 HD2 PHE 31 HD1 PHE 31 21.623 12.674 -6.664 215 HE1 PHE 31 HE2 PHE 31 20.219 8.035 -5.820 216 HE2 PHE 31 HE1 PHE 31 19.520 11.833 -7.626 217 HZ PHE 31 HZ PHE 31 18.816 9.511 -7.205 218 H TYR 32 H TYR 32 24.327 13.984 -4.521 219 HA TYR 32 HA TYR 32 22.079 15.689 -3.679 220 HB2 TYR 32 HB2 TYR 32 24.803 16.761 -4.331 221 HB3 TYR 32 HB3 TYR 32 23.568 17.435 -3.273 222 HD1 TYR 32 HD1 TYR 32 22.931 15.265 -1.468 223 HD2 TYR 32 HD2 TYR 32 26.706 16.409 -3.064 224 HE1 TYR 32 HE1 TYR 32 24.052 14.264 0.480 225 HE2 TYR 32 HE2 TYR 32 27.837 15.411 -1.121 226 HH TYR 32 HH TYR 32 25.994 14.032 1.569 227 HA PRO 33 HA PRO 33 21.885 15.709 -8.282 228 HB2 PRO 33 HB2 PRO 33 19.176 15.840 -8.376 229 HB3 PRO 33 HB3 PRO 33 20.059 14.316 -8.224 230 HG2 PRO 33 HG2 PRO 33 18.717 15.947 -6.103 231 HG3 PRO 33 HG3 PRO 33 18.706 14.190 -6.337 232 HD2 PRO 33 HD2 PRO 33 20.297 15.406 -4.515 233 HD3 PRO 33 HD3 PRO 33 20.775 13.919 -5.360 234 H GLU 34 H GLU 34 22.874 17.904 -7.576 235 HA GLU 34 HA GLU 34 22.903 20.160 -7.868 236 HB2 GLU 34 HB2 GLU 34 21.496 19.367 -9.928 237 HB3 GLU 34 HB3 GLU 34 20.151 20.084 -9.053 238 HG2 GLU 34 HG2 GLU 34 21.032 22.228 -9.201 239 HG3 GLU 34 HG3 GLU 34 22.656 21.640 -9.554 240 H GLY 35 H GLY 35 21.703 18.908 -5.483 241 HA2 GLY 35 HA2 GLY 35 20.469 21.319 -4.420 242 HA3 GLY 35 HA3 GLY 35 19.465 19.877 -4.401 243 H GLU 36 H GLU 36 22.909 20.482 -3.699 244 HA GLU 36 HA GLU 36 22.857 18.677 -1.477 245 HB2 GLU 36 HB2 GLU 36 24.913 18.761 -2.609 246 HB3 GLU 36 HB3 GLU 36 24.927 20.519 -2.640 247 HG2 GLU 36 HG2 GLU 36 25.336 20.582 -0.250 248 HG3 GLU 36 HG3 GLU 36 25.263 18.822 -0.177 249 H ASP 37 H ASP 37 22.307 22.044 -1.913 250 HA ASP 37 HA ASP 37 22.687 22.642 0.918 251 HB2 ASP 37 HB2 ASP 37 21.950 24.394 -1.433 252 HB3 ASP 37 HB3 ASP 37 22.098 24.978 0.221 253 H LYS 38 H LYS 38 20.250 21.562 -1.129 254 HA LYS 38 HA LYS 38 18.107 22.705 0.513 255 HB2 LYS 38 HB2 LYS 38 17.827 22.908 -1.903 256 HB3 LYS 38 HB3 LYS 38 17.997 21.168 -2.089 257 HG2 LYS 38 HG2 LYS 38 15.933 20.775 -0.952 258 HG3 LYS 38 HG3 LYS 38 15.795 22.480 -0.512 259 HD2 LYS 38 HD2 LYS 38 15.721 23.013 -2.960 260 HD3 LYS 38 HD3 LYS 38 15.630 21.278 -3.272 261 HE2 LYS 38 HE2 LYS 38 13.404 22.010 -3.304 262 HE3 LYS 38 HE3 LYS 38 13.611 21.275 -1.715 263 HZ1 LYS 38 HZ1 LYS 38 13.741 23.380 -0.701 264 HZ2 LYS 38 HZ2 LYS 38 12.429 23.474 -1.766 265 HZ3 LYS 38 HZ3 LYS 38 13.907 24.186 -2.180 266 H THR 39 H THR 39 18.530 19.542 -1.070 267 HA THR 39 HA THR 39 18.406 18.127 1.432 268 HB THR 39 HB THR 39 16.025 18.613 1.128 269 HG1 THR 39 HG1 THR 39 15.360 16.506 1.410 270 HG21 THR 39 HG21 THR 39 14.911 18.413 -0.815 271 HG22 THR 39 HG22 THR 39 15.684 16.876 -1.206 272 HG23 THR 39 HG23 THR 39 16.513 18.393 -1.552 273 H GLU 40 H GLU 40 18.720 15.839 1.190 274 HA GLU 40 HA GLU 40 20.123 15.195 -1.293 275 HB2 GLU 40 HB2 GLU 40 20.045 13.567 1.247 276 HB3 GLU 40 HB3 GLU 40 21.189 13.427 -0.082 277 HG2 GLU 40 HG2 GLU 40 22.209 15.502 0.470 278 HG3 GLU 40 HG3 GLU 40 20.944 15.878 1.639 279 H VAL 41 H VAL 41 19.593 13.492 -2.604 280 HA VAL 41 HA VAL 41 16.944 12.308 -2.139 281 HB VAL 41 HB VAL 41 18.514 12.464 -4.716 282 HG11 VAL 41 HG11 VAL 41 17.123 10.705 -5.122 283 HG12 VAL 41 HG12 VAL 41 15.918 11.244 -3.951 284 HG13 VAL 41 HG13 VAL 41 16.028 12.027 -5.527 285 HG21 VAL 41 HG21 VAL 41 16.212 14.130 -3.705 286 HG22 VAL 41 HG22 VAL 41 17.856 14.679 -4.034 287 HG23 VAL 41 HG23 VAL 41 16.818 14.157 -5.361 288 H CYS 42 H CYS 42 16.783 10.231 -1.628 289 HA CYS 42 HA CYS 42 19.117 8.494 -2.084 290 HB2 CYS 42 HB2 CYS 42 16.919 8.182 -0.028 291 HB3 CYS 42 HB3 CYS 42 18.340 7.157 -0.193 292 H SER 43 H SER 43 18.871 7.119 -3.706 293 HA SER 43 HA SER 43 16.225 5.901 -4.133 294 HB2 SER 43 HB2 SER 43 16.339 6.180 -6.455 295 HB3 SER 43 HB3 SER 43 16.973 7.708 -5.845 296 HG SER 43 HG SER 43 18.196 6.528 -7.567 297 H CYS 44 H CYS 44 16.436 3.902 -5.585 298 HA CYS 44 HA CYS 44 18.377 2.161 -4.360 299 HB2 CYS 44 HB2 CYS 44 16.297 1.587 -6.482 300 HB3 CYS 44 HB3 CYS 44 17.234 0.376 -5.612 301 H GLN 45 H GLN 45 20.348 1.815 -5.117 302 HA GLN 45 HA GLN 45 20.812 2.087 -8.014 303 HB2 GLN 45 HB2 GLN 45 22.721 2.810 -5.784 304 HB3 GLN 45 HB3 GLN 45 23.069 2.912 -7.505 305 HG2 GLN 45 HG2 GLN 45 20.707 4.383 -6.481 306 HG3 GLN 45 HG3 GLN 45 22.308 5.011 -6.095 307 HE21 GLN 45 HE21 GLN 45 19.898 4.663 -8.478 308 HE22 GLN 45 HE22 GLN 45 20.731 5.455 -9.768 309 H GLN 46 H GLN 46 22.340 0.682 -8.953 310 HA GLN 46 HA GLN 46 22.698 -1.804 -7.447 311 HB2 GLN 46 HB2 GLN 46 23.189 -2.798 -9.682 312 HB3 GLN 46 HB3 GLN 46 21.581 -2.097 -9.555 313 HG2 GLN 46 HG2 GLN 46 22.410 -0.076 -10.702 314 HG3 GLN 46 HG3 GLN 46 23.974 -0.864 -10.897 315 HE21 GLN 46 HE21 GLN 46 20.538 -1.556 -11.465 316 HE22 GLN 46 HE22 GLN 46 20.765 -2.272 -13.020 317 HA PRO 47 HA PRO 47 27.044 -1.354 -7.037 318 HB2 PRO 47 HB2 PRO 47 27.870 -3.929 -7.275 319 HB3 PRO 47 HB3 PRO 47 27.018 -3.321 -5.851 320 HG2 PRO 47 HG2 PRO 47 25.950 -4.866 -8.183 321 HG3 PRO 47 HG3 PRO 47 25.605 -5.068 -6.455 322 HD2 PRO 47 HD2 PRO 47 23.922 -3.773 -8.135 323 HD3 PRO 47 HD3 PRO 47 24.094 -3.328 -6.425 324 H LYS 48 H LYS 48 25.964 -0.971 -9.747 325 HA LYS 48 HA LYS 48 27.464 -2.347 -11.681 326 HB2 LYS 48 HB2 LYS 48 25.479 -1.029 -12.239 327 HB3 LYS 48 HB3 LYS 48 26.315 0.449 -11.781 328 HG2 LYS 48 HG2 LYS 48 27.723 0.372 -13.636 329 HG3 LYS 48 HG3 LYS 48 27.387 -1.335 -13.935 330 HD2 LYS 48 HD2 LYS 48 25.115 -0.792 -14.606 331 HD3 LYS 48 HD3 LYS 48 25.393 0.912 -14.237 332 HE2 LYS 48 HE2 LYS 48 27.432 -0.055 -16.008 333 HE3 LYS 48 HE3 LYS 48 25.840 -0.426 -16.669 334 HZ1 LYS 48 HZ1 LYS 48 25.645 2.150 -15.754 335 HZ2 LYS 48 HZ2 LYS 48 25.794 1.665 -17.367 336 HZ3 LYS 48 HZ3 LYS 48 27.172 2.085 -16.479 337 H SER 49 H SER 49 29.610 -2.429 -11.754 338 HA SER 49 HA SER 49 31.284 -0.405 -10.630 339 HB2 SER 49 HB2 SER 49 31.635 -3.048 -11.158 340 HB3 SER 49 HB3 SER 49 32.504 -2.329 -12.514 341 HG SER 49 HG SER 49 33.717 -2.700 -10.489 342 H HIS 50 H HIS 50 33.303 0.175 -12.161 343 HA HIS 50 HA HIS 50 32.382 2.126 -13.937 344 HB2 HIS 50 HB2 HIS 50 34.710 1.797 -12.760 345 HB3 HIS 50 HB3 HIS 50 35.120 0.957 -14.253 346 HD1 HIS 50 HD1 HIS 50 33.777 2.771 -16.310 347 HD2 HIS 50 HD2 HIS 50 35.968 4.182 -13.073 348 HE1 HIS 50 HE1 HIS 50 34.531 5.079 -16.963 349 H LYS 51 H LYS 51 33.041 -1.238 -14.401 350 HA LYS 51 HA LYS 51 32.761 -2.632 -16.176 351 HB2 LYS 51 HB2 LYS 51 30.602 -1.305 -16.332 352 HB3 LYS 51 HB3 LYS 51 31.387 -0.335 -17.571 353 HG2 LYS 51 HG2 LYS 51 31.848 -2.797 -18.549 354 HG3 LYS 51 HG3 LYS 51 30.327 -3.078 -17.698 355 HD2 LYS 51 HD2 LYS 51 29.569 -0.896 -18.907 356 HD3 LYS 51 HD3 LYS 51 30.906 -1.261 -20.000 357 HE2 LYS 51 HE2 LYS 51 29.238 -3.577 -19.425 358 HE3 LYS 51 HE3 LYS 51 28.341 -2.257 -20.173 359 HZ1 LYS 51 HZ1 LYS 51 30.779 -2.546 -21.520 360 HZ2 LYS 51 HZ2 LYS 51 29.217 -2.806 -22.113 361 HZ3 LYS 51 HZ3 LYS 51 30.071 -4.078 -21.398 362 H ILE 52 H ILE 52 34.808 -2.955 -16.889 363 HA ILE 52 HA ILE 52 36.313 -1.016 -18.328 364 HB ILE 52 HB ILE 52 37.854 -2.922 -18.826 365 HG12 ILE 52 HG12 ILE 52 36.276 -4.620 -16.945 366 HG13 ILE 52 HG13 ILE 52 35.765 -4.547 -18.628 367 HG21 ILE 52 HG21 ILE 52 37.174 -2.936 -15.910 368 HG22 ILE 52 HG22 ILE 52 38.757 -2.958 -16.685 369 HG23 ILE 52 HG23 ILE 52 37.795 -1.481 -16.688 370 HD11 ILE 52 HD11 ILE 52 38.536 -4.961 -18.672 371 HD12 ILE 52 HD12 ILE 52 37.886 -6.046 -17.443 372 HD13 ILE 52 HD13 ILE 52 37.260 -6.104 -19.090 373 H ALA 53 H ALA 53 37.020 -1.141 -20.528 374 HA ALA 53 HA ALA 53 34.969 -1.486 -22.390 375 HB1 ALA 53 HB1 ALA 53 36.402 -0.558 -23.840 376 HB2 ALA 53 HB2 ALA 53 37.442 -0.342 -22.432 377 HB3 ALA 53 HB3 ALA 53 37.670 -1.734 -23.490 378 H GLU 54 H GLU 54 34.011 -3.466 -22.469 379 HA GLU 54 HA GLU 54 35.734 -5.755 -23.159 380 HB2 GLU 54 HB2 GLU 54 34.467 -5.895 -20.982 381 HB3 GLU 54 HB3 GLU 54 32.984 -5.897 -21.925 382 HG2 GLU 54 HG2 GLU 54 33.576 -7.964 -22.972 383 HG3 GLU 54 HG3 GLU 54 35.176 -7.931 -22.235 384 H LYS 55 H LYS 55 35.702 -5.562 -25.369 385 HA LYS 55 HA LYS 55 33.437 -4.968 -26.926 386 HB2 LYS 55 HB2 LYS 55 34.745 -5.776 -28.822 387 HB3 LYS 55 HB3 LYS 55 35.734 -4.772 -27.771 388 HG2 LYS 55 HG2 LYS 55 37.169 -6.425 -27.376 389 HG3 LYS 55 HG3 LYS 55 35.874 -7.585 -27.067 390 HD2 LYS 55 HD2 LYS 55 35.582 -7.926 -29.459 391 HD3 LYS 55 HD3 LYS 55 36.825 -6.719 -29.798 392 HE2 LYS 55 HE2 LYS 55 38.537 -8.090 -29.067 393 HE3 LYS 55 HE3 LYS 55 37.466 -9.065 -28.062 394 HZ1 LYS 55 HZ1 LYS 55 36.889 -10.374 -29.787 395 HZ2 LYS 55 HZ2 LYS 55 38.387 -9.882 -30.401 396 HZ3 LYS 55 HZ3 LYS 55 36.968 -9.128 -30.929 397 H ILE 56 H ILE 56 32.651 -6.587 -28.662 398 HA ILE 56 HA ILE 56 32.129 -9.193 -27.390 399 HB ILE 56 HB ILE 56 30.141 -7.733 -27.249 400 HG12 ILE 56 HG12 ILE 56 29.251 -9.694 -29.258 401 HG13 ILE 56 HG13 ILE 56 30.261 -10.364 -27.982 402 HG21 ILE 56 HG21 ILE 56 30.624 -6.438 -29.312 403 HG22 ILE 56 HG22 ILE 56 30.129 -7.838 -30.261 404 HG23 ILE 56 HG23 ILE 56 28.964 -7.022 -29.219 405 HD11 ILE 56 HD11 ILE 56 27.521 -9.298 -27.871 406 HD12 ILE 56 HD12 ILE 56 28.279 -10.598 -26.951 407 HD13 ILE 56 HD13 ILE 56 28.563 -8.917 -26.500 408 H ILE 57 H ILE 57 32.214 -10.974 -28.678 409 HA ILE 57 HA ILE 57 33.388 -10.619 -31.307 410 HB ILE 57 HB ILE 57 34.319 -12.311 -29.795 411 HG12 ILE 57 HG12 ILE 57 33.057 -13.889 -32.002 412 HG13 ILE 57 HG13 ILE 57 34.099 -12.532 -32.415 413 HG21 ILE 57 HG21 ILE 57 31.640 -13.665 -30.085 414 HG22 ILE 57 HG22 ILE 57 33.061 -14.361 -29.308 415 HG23 ILE 57 HG23 ILE 57 32.287 -12.935 -28.617 416 HD11 ILE 57 HD11 ILE 57 35.710 -13.744 -30.696 417 HD12 ILE 57 HD12 ILE 57 34.773 -15.146 -31.214 418 HD13 ILE 57 HD13 ILE 57 35.644 -14.180 -32.404 419 H ASP 58 H ASP 58 30.345 -11.547 -29.899 420 HA ASP 58 HA ASP 58 28.300 -11.972 -30.800 421 HB2 ASP 58 HB2 ASP 58 29.153 -9.927 -32.225 422 HB3 ASP 58 HB3 ASP 58 29.228 -11.125 -33.514 423 H LYS 59 H LYS 59 27.150 -13.310 -32.472 424 HA LYS 59 HA LYS 59 28.769 -15.682 -33.036 425 HB2 LYS 59 HB2 LYS 59 26.344 -15.480 -31.855 426 HB3 LYS 59 HB3 LYS 59 25.850 -15.736 -33.523 427 HG2 LYS 59 HG2 LYS 59 26.946 -17.825 -33.628 428 HG3 LYS 59 HG3 LYS 59 27.807 -17.530 -32.116 429 HD2 LYS 59 HD2 LYS 59 26.116 -18.941 -31.425 430 HD3 LYS 59 HD3 LYS 59 25.406 -17.355 -31.109 431 HE2 LYS 59 HE2 LYS 59 23.836 -17.599 -32.708 432 HE3 LYS 59 HE3 LYS 59 24.937 -18.428 -33.808 433 HZ1 LYS 59 HZ1 LYS 59 24.509 -20.141 -31.673 434 HZ2 LYS 59 HZ2 LYS 59 23.938 -20.309 -33.256 435 HZ3 LYS 59 HZ3 LYS 59 22.987 -19.533 -32.091 436 H ALA 60 H ALA 60 28.325 -16.868 -35.070 437 HA ALA 60 HA ALA 60 28.596 -15.108 -37.310 438 HB1 ALA 60 HB1 ALA 60 28.913 -17.965 -36.786 439 HB2 ALA 60 HB2 ALA 60 28.295 -17.597 -38.397 440 HB3 ALA 60 HB3 ALA 60 29.822 -16.898 -37.856 441 H LYS 61 H LYS 61 26.971 -14.188 -38.357 442 HA LYS 61 HA LYS 61 24.294 -15.336 -38.178 443 HB2 LYS 61 HB2 LYS 61 25.383 -12.676 -38.424 444 HB3 LYS 61 HB3 LYS 61 24.220 -12.975 -39.709 445 HG2 LYS 61 HG2 LYS 61 22.905 -13.952 -37.530 446 HG3 LYS 61 HG3 LYS 61 23.802 -12.596 -36.843 447 HD2 LYS 61 HD2 LYS 61 22.084 -12.401 -39.313 448 HD3 LYS 61 HD3 LYS 61 21.519 -12.016 -37.686 449 HE2 LYS 61 HE2 LYS 61 22.479 -10.007 -37.749 450 HE3 LYS 61 HE3 LYS 61 24.018 -10.690 -38.269 451 HZ1 LYS 61 HZ1 LYS 61 23.571 -9.529 -40.123 452 HZ2 LYS 61 HZ2 LYS 61 21.904 -9.480 -39.843 453 HZ3 LYS 61 HZ3 LYS 61 22.607 -10.862 -40.519 454 H THR 62 H THR 62 23.020 -14.677 -40.386 455 HA THR 62 HA THR 62 24.559 -15.485 -42.723 456 HB THR 62 HB THR 62 22.113 -16.991 -42.756 457 HG1 THR 62 HG1 THR 62 22.143 -17.314 -40.604 458 HG21 THR 62 HG21 THR 62 24.999 -17.381 -43.189 459 HG22 THR 62 HG22 THR 62 23.623 -17.935 -44.144 460 HG23 THR 62 HG23 THR 62 24.113 -18.824 -42.702 461 H THR 63 H THR 63 23.844 -14.547 -44.552 462 HA THR 63 HA THR 63 21.979 -12.462 -44.467 463 HB THR 63 HB THR 63 22.643 -13.864 -47.038 464 HG1 THR 63 HG1 THR 63 24.639 -12.742 -47.019 465 HG21 THR 63 HG21 THR 63 21.487 -12.049 -47.710 466 HG22 THR 63 HG22 THR 63 22.994 -11.188 -47.400 467 HG23 THR 63 HG23 THR 63 21.723 -11.210 -46.178 468 H LEU 64 H LEU 64 21.681 -15.631 -46.082 469 HA LEU 64 HA LEU 64 19.038 -16.085 -45.252 470 HB2 LEU 64 HB2 LEU 64 18.401 -14.274 -46.666 471 HB3 LEU 64 HB3 LEU 64 19.373 -14.899 -47.996 472 HG LEU 64 HG LEU 64 17.391 -16.833 -47.200 473 HD11 LEU 64 HD11 LEU 64 15.389 -15.651 -47.748 474 HD12 LEU 64 HD12 LEU 64 16.292 -14.181 -48.116 475 HD13 LEU 64 HD13 LEU 64 16.204 -14.769 -46.456 476 HD21 LEU 64 HD21 LEU 64 18.228 -17.125 -49.316 477 HD22 LEU 64 HD22 LEU 64 18.265 -15.396 -49.661 478 HD23 LEU 64 HD23 LEU 64 16.730 -16.266 -49.675 Start of MODEL 16 1 H1 ALA 1 H ALA 1 -1.914 -6.575 -4.670 2 HA ALA 1 HA ALA 1 -0.468 -5.721 -2.307 3 HB1 ALA 1 HB1 ALA 1 0.500 -7.105 -4.806 4 HB2 ALA 1 HB2 ALA 1 1.459 -6.817 -3.353 5 HB3 ALA 1 HB3 ALA 1 0.056 -7.883 -3.287 6 H LYS 2 H LYS 2 1.099 -4.143 -2.221 7 HA LYS 2 HA LYS 2 0.921 -2.096 -4.278 8 HB2 LYS 2 HB2 LYS 2 2.358 -2.106 -1.617 9 HB3 LYS 2 HB3 LYS 2 2.215 -0.717 -2.687 10 HG2 LYS 2 HG2 LYS 2 -0.265 -0.887 -2.445 11 HG3 LYS 2 HG3 LYS 2 0.002 -2.126 -1.215 12 HD2 LYS 2 HD2 LYS 2 1.383 0.513 -0.978 13 HD3 LYS 2 HD3 LYS 2 -0.316 0.376 -0.522 14 HE2 LYS 2 HE2 LYS 2 1.783 -1.499 0.532 15 HE3 LYS 2 HE3 LYS 2 1.423 0.040 1.315 16 HZ1 LYS 2 HZ1 LYS 2 0.055 -2.393 1.553 17 HZ2 LYS 2 HZ2 LYS 2 -0.995 -1.277 0.836 18 HZ3 LYS 2 HZ3 LYS 2 -0.274 -0.925 2.327 19 H ALA 3 H ALA 3 2.611 -1.360 -5.520 20 HA ALA 3 HA ALA 3 4.590 -3.213 -6.273 21 HB1 ALA 3 HB1 ALA 3 5.363 -0.571 -7.032 22 HB2 ALA 3 HB2 ALA 3 4.708 -1.868 -8.032 23 HB3 ALA 3 HB3 ALA 3 3.618 -0.745 -7.220 24 H CYS 4 H CYS 4 6.935 -2.879 -6.219 25 HA CYS 4 HA CYS 4 7.769 -1.972 -3.567 26 HB2 CYS 4 HB2 CYS 4 9.836 -3.234 -4.013 27 HB3 CYS 4 HB3 CYS 4 8.405 -4.242 -4.206 28 H THR 5 H THR 5 10.397 -1.419 -3.907 29 HA THR 5 HA THR 5 10.325 1.009 -5.570 30 HB THR 5 HB THR 5 12.123 0.446 -3.205 31 HG1 THR 5 HG1 THR 5 10.329 0.889 -2.151 32 HG21 THR 5 HG21 THR 5 11.601 3.203 -4.103 33 HG22 THR 5 HG22 THR 5 12.552 2.216 -5.214 34 HG23 THR 5 HG23 THR 5 13.099 2.453 -3.554 35 HA PRO 6 HA PRO 6 13.342 -1.669 -7.763 36 HB2 PRO 6 HB2 PRO 6 12.770 -0.658 -10.216 37 HB3 PRO 6 HB3 PRO 6 11.831 -1.957 -9.470 38 HG2 PRO 6 HG2 PRO 6 11.233 0.972 -9.609 39 HG3 PRO 6 HG3 PRO 6 10.142 -0.405 -9.850 40 HD2 PRO 6 HD2 PRO 6 10.234 0.991 -7.533 41 HD3 PRO 6 HD3 PRO 6 9.865 -0.744 -7.588 42 H LEU 7 H LEU 7 14.704 -0.676 -9.858 43 HA LEU 7 HA LEU 7 16.506 1.150 -8.655 44 HB2 LEU 7 HB2 LEU 7 16.973 -0.627 -10.430 45 HB3 LEU 7 HB3 LEU 7 16.364 0.547 -11.595 46 HG LEU 7 HG LEU 7 18.266 1.978 -10.206 47 HD11 LEU 7 HD11 LEU 7 19.068 -0.008 -9.070 48 HD12 LEU 7 HD12 LEU 7 20.269 0.560 -10.229 49 HD13 LEU 7 HD13 LEU 7 19.265 -0.837 -10.614 50 HD21 LEU 7 HD21 LEU 7 19.595 0.968 -12.409 51 HD22 LEU 7 HD22 LEU 7 18.554 2.392 -12.377 52 HD23 LEU 7 HD23 LEU 7 17.892 0.825 -12.844 53 H LEU 8 H LEU 8 17.097 3.265 -9.405 54 HA LEU 8 HA LEU 8 16.681 5.415 -10.018 55 HB2 LEU 8 HB2 LEU 8 14.543 4.366 -11.848 56 HB3 LEU 8 HB3 LEU 8 15.482 5.849 -12.007 57 HG LEU 8 HG LEU 8 16.708 3.107 -12.230 58 HD11 LEU 8 HD11 LEU 8 15.295 3.007 -14.032 59 HD12 LEU 8 HD12 LEU 8 16.683 3.825 -14.748 60 HD13 LEU 8 HD13 LEU 8 15.270 4.757 -14.252 61 HD21 LEU 8 HD21 LEU 8 18.275 4.662 -13.675 62 HD22 LEU 8 HD22 LEU 8 18.469 4.530 -11.927 63 HD23 LEU 8 HD23 LEU 8 17.617 5.912 -12.619 64 H HIS 9 H HIS 9 15.223 4.154 -7.836 65 HA HIS 9 HA HIS 9 12.980 6.043 -7.706 66 HB2 HIS 9 HB2 HIS 9 12.873 3.109 -7.488 67 HB3 HIS 9 HB3 HIS 9 12.043 3.969 -6.196 68 HD1 HIS 9 HD1 HIS 9 10.158 5.712 -7.029 69 HD2 HIS 9 HD2 HIS 9 11.480 2.937 -9.825 70 HE1 HIS 9 HE1 HIS 9 8.416 5.703 -8.843 71 H ASP 10 H ASP 10 12.712 7.054 -5.771 72 HA ASP 10 HA ASP 10 14.833 7.310 -4.015 73 HB2 ASP 10 HB2 ASP 10 11.937 7.753 -3.274 74 HB3 ASP 10 HB3 ASP 10 13.351 8.542 -2.579 75 H CYS 11 H CYS 11 15.292 6.526 -1.957 76 HA CYS 11 HA CYS 11 13.686 4.287 -0.968 77 HB2 CYS 11 HB2 CYS 11 15.577 2.833 -0.724 78 HB3 CYS 11 HB3 CYS 11 15.552 3.392 -2.393 79 H SER 12 H SER 12 14.189 7.086 -0.141 80 HA SER 12 HA SER 12 15.883 7.052 2.151 81 HB2 SER 12 HB2 SER 12 14.577 9.214 2.685 82 HB3 SER 12 HB3 SER 12 15.549 9.184 1.214 83 HG SER 12 HG SER 12 12.762 9.102 1.516 84 H HIS 13 H HIS 13 12.603 6.158 1.550 85 HA HIS 13 HA HIS 13 11.541 6.424 4.142 86 HB2 HIS 13 HB2 HIS 13 10.241 6.002 2.023 87 HB3 HIS 13 HB3 HIS 13 10.766 4.324 2.112 88 HD1 HIS 13 HD1 HIS 13 9.540 2.799 3.716 89 HD2 HIS 13 HD2 HIS 13 8.428 6.784 4.089 90 HE1 HIS 13 HE1 HIS 13 7.524 2.796 5.220 91 H ASP 14 H ASP 14 13.116 3.682 2.528 92 HA ASP 14 HA ASP 14 14.133 2.697 5.019 93 HB2 ASP 14 HB2 ASP 14 12.075 1.661 5.393 94 HB3 ASP 14 HB3 ASP 14 11.822 1.326 3.682 95 H ARG 15 H ARG 15 16.112 2.047 4.532 96 HA ARG 15 HA ARG 15 17.091 1.691 1.949 97 HB2 ARG 15 HB2 ARG 15 19.112 0.858 2.973 98 HB3 ARG 15 HB3 ARG 15 18.480 2.177 3.951 99 HG2 ARG 15 HG2 ARG 15 17.491 0.512 5.488 100 HG3 ARG 15 HG3 ARG 15 18.246 -0.767 4.535 101 HD2 ARG 15 HD2 ARG 15 19.701 1.466 5.948 102 HD3 ARG 15 HD3 ARG 15 19.565 -0.194 6.526 103 HE ARG 15 HE ARG 15 20.656 -0.196 3.933 104 HH11 ARG 15 HH11 ARG 15 21.477 0.676 7.201 105 HH12 ARG 15 HH12 ARG 15 23.176 0.414 6.983 106 HH21 ARG 15 HH21 ARG 15 22.890 -0.544 3.632 107 HH22 ARG 15 HH22 ARG 15 23.978 -0.279 4.952 108 H HIS 16 H HIS 16 15.420 -0.498 4.024 109 HA HIS 16 HA HIS 16 16.164 -2.798 2.367 110 HB2 HIS 16 HB2 HIS 16 15.014 -2.475 5.103 111 HB3 HIS 16 HB3 HIS 16 14.640 -3.945 4.208 112 HD1 HIS 16 HD1 HIS 16 17.218 -4.740 2.973 113 HD2 HIS 16 HD2 HIS 16 17.021 -3.105 6.788 114 HE1 HIS 16 HE1 HIS 16 19.323 -5.482 4.131 115 H SER 17 H SER 17 14.355 -0.591 1.523 116 HA SER 17 HA SER 17 11.806 -2.018 1.265 117 HB2 SER 17 HB2 SER 17 11.570 0.259 2.032 118 HB3 SER 17 HB3 SER 17 12.561 0.859 0.702 119 HG SER 17 HG SER 17 10.000 0.690 0.691 120 H CYS 18 H CYS 18 14.541 -0.873 -0.559 121 HA CYS 18 HA CYS 18 13.581 -0.871 -3.144 122 HB2 CYS 18 HB2 CYS 18 16.265 -1.663 -2.025 123 HB3 CYS 18 HB3 CYS 18 15.950 -1.643 -3.756 124 H CYS 19 H CYS 19 13.279 -2.394 -4.740 125 HA CYS 19 HA CYS 19 12.235 -4.859 -4.075 126 HB2 CYS 19 HB2 CYS 19 13.546 -4.084 -6.689 127 HB3 CYS 19 HB3 CYS 19 12.437 -5.432 -6.457 128 H ARG 20 H ARG 20 13.102 -7.011 -4.960 129 HA ARG 20 HA ARG 20 15.984 -7.258 -4.426 130 HB2 ARG 20 HB2 ARG 20 15.551 -9.340 -3.180 131 HB3 ARG 20 HB3 ARG 20 14.817 -7.942 -2.406 132 HG2 ARG 20 HG2 ARG 20 12.645 -8.557 -3.247 133 HG3 ARG 20 HG3 ARG 20 13.346 -9.891 -4.166 134 HD2 ARG 20 HD2 ARG 20 13.704 -9.715 -1.197 135 HD3 ARG 20 HD3 ARG 20 12.228 -10.388 -1.889 136 HE ARG 20 HE ARG 20 14.569 -11.570 -3.008 137 HH11 ARG 20 HH11 ARG 20 12.458 -11.610 -0.241 138 HH12 ARG 20 HH12 ARG 20 12.817 -13.254 0.172 139 HH21 ARG 20 HH21 ARG 20 15.050 -13.735 -2.475 140 HH22 ARG 20 HH22 ARG 20 14.291 -14.461 -1.098 141 H GLY 21 H GLY 21 16.795 -9.490 -5.108 142 HA2 GLY 21 HA2 GLY 21 15.293 -10.604 -7.362 143 HA3 GLY 21 HA3 GLY 21 16.884 -9.937 -7.695 144 H ASP 22 H ASP 22 17.031 -12.285 -8.457 145 HA ASP 22 HA ASP 22 17.577 -14.148 -6.275 146 HB2 ASP 22 HB2 ASP 22 16.285 -14.646 -8.523 147 HB3 ASP 22 HB3 ASP 22 17.913 -14.880 -9.154 148 H MET 23 H MET 23 19.205 -12.180 -8.608 149 HA MET 23 HA MET 23 21.746 -13.549 -8.234 150 HB2 MET 23 HB2 MET 23 21.255 -11.006 -9.779 151 HB3 MET 23 HB3 MET 23 22.609 -12.118 -9.936 152 HG2 MET 23 HG2 MET 23 20.869 -13.848 -10.648 153 HG3 MET 23 HG3 MET 23 19.776 -12.479 -10.837 154 HE1 MET 23 HE1 MET 23 19.931 -10.704 -12.166 155 HE2 MET 23 HE2 MET 23 21.116 -10.309 -13.410 156 HE3 MET 23 HE3 MET 23 19.794 -11.421 -13.772 157 H PHE 24 H PHE 24 20.779 -10.118 -8.063 158 HA PHE 24 HA PHE 24 22.178 -9.874 -5.511 159 HB2 PHE 24 HB2 PHE 24 22.908 -8.438 -8.041 160 HB3 PHE 24 HB3 PHE 24 23.165 -7.660 -6.482 161 HD1 PHE 24 HD1 PHE 24 24.148 -10.454 -8.647 162 HD2 PHE 24 HD2 PHE 24 24.886 -8.395 -4.995 163 HE1 PHE 24 HE1 PHE 24 26.279 -11.659 -8.403 164 HE2 PHE 24 HE2 PHE 24 27.019 -9.597 -4.745 165 HZ PHE 24 HZ PHE 24 27.718 -11.232 -6.450 166 H LYS 25 H LYS 25 21.551 -8.059 -4.269 167 HA LYS 25 HA LYS 25 18.896 -7.066 -4.968 168 HB2 LYS 25 HB2 LYS 25 19.723 -8.081 -2.658 169 HB3 LYS 25 HB3 LYS 25 20.208 -6.415 -2.369 170 HG2 LYS 25 HG2 LYS 25 17.777 -5.857 -3.094 171 HG3 LYS 25 HG3 LYS 25 17.472 -7.556 -2.725 172 HD2 LYS 25 HD2 LYS 25 18.761 -5.620 -0.805 173 HD3 LYS 25 HD3 LYS 25 17.032 -5.981 -0.829 174 HE2 LYS 25 HE2 LYS 25 19.226 -8.011 -0.426 175 HE3 LYS 25 HE3 LYS 25 18.267 -7.288 0.864 176 HZ1 LYS 25 HZ1 LYS 25 17.212 -9.291 0.436 177 HZ2 LYS 25 HZ2 LYS 25 17.405 -9.169 -1.238 178 HZ3 LYS 25 HZ3 LYS 25 16.281 -8.186 -0.444 179 H TYR 26 H TYR 26 18.348 -4.846 -4.858 180 HA TYR 26 HA TYR 26 20.311 -3.115 -5.961 181 HB2 TYR 26 HB2 TYR 26 17.490 -2.696 -4.992 182 HB3 TYR 26 HB3 TYR 26 18.474 -1.361 -5.581 183 HD1 TYR 26 HD2 TYR 26 19.879 -2.515 -7.854 184 HD2 TYR 26 HD1 TYR 26 15.854 -3.079 -6.590 185 HE1 TYR 26 HE2 TYR 26 19.235 -3.056 -10.165 186 HE2 TYR 26 HE1 TYR 26 15.201 -3.623 -8.899 187 HH TYR 26 HH TYR 26 16.769 -4.628 -11.068 188 H VAL 27 H VAL 27 21.392 -1.391 -5.075 189 HA VAL 27 HA VAL 27 21.371 -1.251 -2.131 190 HB VAL 27 HB VAL 27 23.684 -0.233 -2.431 191 HG11 VAL 27 HG11 VAL 27 23.839 -2.992 -3.473 192 HG12 VAL 27 HG12 VAL 27 24.604 -2.266 -2.058 193 HG13 VAL 27 HG13 VAL 27 22.912 -2.763 -1.990 194 HG21 VAL 27 HG21 VAL 27 23.423 -1.459 -5.174 195 HG22 VAL 27 HG22 VAL 27 23.437 0.272 -4.835 196 HG23 VAL 27 HG23 VAL 27 24.864 -0.706 -4.490 197 H CYS 28 H CYS 28 21.113 0.679 -1.124 198 HA CYS 28 HA CYS 28 19.941 2.819 -2.585 199 HB2 CYS 28 HB2 CYS 28 20.612 2.278 0.263 200 HB3 CYS 28 HB3 CYS 28 20.386 3.961 -0.205 201 H ASP 29 H ASP 29 20.823 4.604 -3.425 202 HA ASP 29 HA ASP 29 23.597 5.272 -2.700 203 HB2 ASP 29 HB2 ASP 29 22.662 4.351 -5.228 204 HB3 ASP 29 HB3 ASP 29 23.109 6.046 -5.403 205 H CYS 30 H CYS 30 23.761 7.269 -1.947 206 HA CYS 30 HA CYS 30 21.625 9.187 -2.533 207 HB2 CYS 30 HB2 CYS 30 23.793 9.295 -0.426 208 HB3 CYS 30 HB3 CYS 30 22.463 10.435 -0.596 209 H PHE 31 H PHE 31 22.008 11.186 -3.415 210 HA PHE 31 HA PHE 31 24.742 11.949 -4.076 211 HB2 PHE 31 HB2 PHE 31 23.982 12.429 -6.466 212 HB3 PHE 31 HB3 PHE 31 24.242 10.740 -6.046 213 HD1 PHE 31 HD2 PHE 31 22.272 9.282 -5.573 214 HD2 PHE 31 HD1 PHE 31 21.876 13.207 -7.168 215 HE1 PHE 31 HE2 PHE 31 19.988 8.746 -6.314 216 HE2 PHE 31 HE1 PHE 31 19.591 12.679 -7.912 217 HZ PHE 31 HZ PHE 31 18.645 10.445 -7.486 218 H TYR 32 H TYR 32 24.901 14.169 -4.869 219 HA TYR 32 HA TYR 32 22.685 15.823 -3.854 220 HB2 TYR 32 HB2 TYR 32 25.519 16.785 -4.158 221 HB3 TYR 32 HB3 TYR 32 24.236 17.443 -3.147 222 HD1 TYR 32 HD2 TYR 32 26.680 14.705 -3.489 223 HD2 TYR 32 HD1 TYR 32 23.828 16.586 -0.953 224 HE1 TYR 32 HE2 TYR 32 27.526 13.402 -1.581 225 HE2 TYR 32 HE1 TYR 32 24.667 15.289 0.961 226 HH TYR 32 HH TYR 32 27.382 13.985 1.251 227 HA PRO 33 HA PRO 33 22.713 16.622 -8.375 228 HB2 PRO 33 HB2 PRO 33 20.035 17.042 -8.524 229 HB3 PRO 33 HB3 PRO 33 20.760 15.431 -8.589 230 HG2 PRO 33 HG2 PRO 33 19.490 16.845 -6.276 231 HG3 PRO 33 HG3 PRO 33 19.320 15.155 -6.785 232 HD2 PRO 33 HD2 PRO 33 20.940 15.908 -4.750 233 HD3 PRO 33 HD3 PRO 33 21.308 14.528 -5.804 234 H GLU 34 H GLU 34 23.392 18.506 -6.250 235 HA GLU 34 HA GLU 34 23.360 20.737 -5.749 236 HB2 GLU 34 HB2 GLU 34 22.858 20.881 -8.727 237 HB3 GLU 34 HB3 GLU 34 23.415 22.214 -7.726 238 HG2 GLU 34 HG2 GLU 34 24.922 19.632 -8.000 239 HG3 GLU 34 HG3 GLU 34 25.178 21.018 -9.058 240 H GLY 35 H GLY 35 20.783 19.338 -5.568 241 HA2 GLY 35 HA2 GLY 35 19.073 21.727 -5.684 242 HA3 GLY 35 HA3 GLY 35 18.498 20.229 -6.402 243 H GLU 36 H GLU 36 20.366 19.412 -3.803 244 HA GLU 36 HA GLU 36 17.983 19.057 -2.131 245 HB2 GLU 36 HB2 GLU 36 20.663 17.668 -2.131 246 HB3 GLU 36 HB3 GLU 36 19.432 17.400 -0.905 247 HG2 GLU 36 HG2 GLU 36 19.365 16.694 -3.812 248 HG3 GLU 36 HG3 GLU 36 19.170 15.642 -2.412 249 H ASP 37 H ASP 37 17.820 20.987 -1.053 250 HA ASP 37 HA ASP 37 20.154 21.973 0.410 251 HB2 ASP 37 HB2 ASP 37 18.686 23.948 0.890 252 HB3 ASP 37 HB3 ASP 37 18.983 23.671 -0.823 253 H LYS 38 H LYS 38 18.143 19.634 1.005 254 HA LYS 38 HA LYS 38 17.969 20.245 3.870 255 HB2 LYS 38 HB2 LYS 38 15.761 18.852 3.758 256 HB3 LYS 38 HB3 LYS 38 15.736 20.564 3.359 257 HG2 LYS 38 HG2 LYS 38 15.162 20.186 1.233 258 HG3 LYS 38 HG3 LYS 38 16.265 18.817 1.075 259 HD2 LYS 38 HD2 LYS 38 14.665 17.406 2.297 260 HD3 LYS 38 HD3 LYS 38 13.558 18.777 2.413 261 HE2 LYS 38 HE2 LYS 38 14.570 17.744 -0.223 262 HE3 LYS 38 HE3 LYS 38 13.131 17.085 0.554 263 HZ1 LYS 38 HZ1 LYS 38 12.039 19.150 0.401 264 HZ2 LYS 38 HZ2 LYS 38 12.742 18.897 -1.117 265 HZ3 LYS 38 HZ3 LYS 38 13.455 19.972 -0.023 266 H THR 39 H THR 39 17.818 17.755 1.354 267 HA THR 39 HA THR 39 19.551 16.036 2.869 268 HB THR 39 HB THR 39 17.341 15.535 3.894 269 HG1 THR 39 HG1 THR 39 17.720 13.366 3.859 270 HG21 THR 39 HG21 THR 39 16.110 15.939 1.678 271 HG22 THR 39 HG22 THR 39 15.561 14.600 2.686 272 HG23 THR 39 HG23 THR 39 16.568 14.285 1.275 273 H GLU 40 H GLU 40 20.705 14.747 1.545 274 HA GLU 40 HA GLU 40 20.662 15.102 -1.218 275 HB2 GLU 40 HB2 GLU 40 22.143 13.082 -1.289 276 HB3 GLU 40 HB3 GLU 40 22.663 14.327 -0.162 277 HG2 GLU 40 HG2 GLU 40 21.518 13.007 1.649 278 HG3 GLU 40 HG3 GLU 40 21.329 11.711 0.469 279 H VAL 41 H VAL 41 20.173 13.591 -2.920 280 HA VAL 41 HA VAL 41 17.654 12.234 -2.454 281 HB VAL 41 HB VAL 41 19.169 12.422 -5.055 282 HG11 VAL 41 HG11 VAL 41 17.061 10.873 -4.507 283 HG12 VAL 41 HG12 VAL 41 16.214 12.367 -4.914 284 HG13 VAL 41 HG13 VAL 41 17.311 11.627 -6.081 285 HG21 VAL 41 HG21 VAL 41 17.440 14.326 -5.435 286 HG22 VAL 41 HG22 VAL 41 17.409 14.407 -3.674 287 HG23 VAL 41 HG23 VAL 41 18.922 14.665 -4.542 288 H CYS 42 H CYS 42 17.618 10.195 -1.801 289 HA CYS 42 HA CYS 42 19.809 8.405 -2.606 290 HB2 CYS 42 HB2 CYS 42 17.833 8.061 -0.341 291 HB3 CYS 42 HB3 CYS 42 19.221 7.033 -0.683 292 H SER 43 H SER 43 19.349 7.107 -4.245 293 HA SER 43 HA SER 43 16.619 6.019 -4.454 294 HB2 SER 43 HB2 SER 43 16.593 6.297 -6.775 295 HB3 SER 43 HB3 SER 43 17.380 7.773 -6.218 296 HG SER 43 HG SER 43 18.523 6.818 -7.944 297 H CYS 44 H CYS 44 16.583 4.001 -5.870 298 HA CYS 44 HA CYS 44 18.502 2.144 -4.789 299 HB2 CYS 44 HB2 CYS 44 16.235 1.674 -6.737 300 HB3 CYS 44 HB3 CYS 44 17.142 0.427 -5.886 301 H GLN 45 H GLN 45 20.370 1.647 -5.707 302 HA GLN 45 HA GLN 45 20.590 1.799 -8.638 303 HB2 GLN 45 HB2 GLN 45 22.625 2.692 -6.591 304 HB3 GLN 45 HB3 GLN 45 22.957 2.537 -8.311 305 HG2 GLN 45 HG2 GLN 45 20.644 4.206 -7.529 306 HG3 GLN 45 HG3 GLN 45 22.254 4.834 -7.182 307 HE21 GLN 45 HE21 GLN 45 19.855 4.464 -9.503 308 HE22 GLN 45 HE22 GLN 45 20.756 4.973 -10.886 309 H GLN 46 H GLN 46 22.072 0.340 -9.612 310 HA GLN 46 HA GLN 46 22.510 -2.068 -7.998 311 HB2 GLN 46 HB2 GLN 46 22.887 -3.124 -10.296 312 HB3 GLN 46 HB3 GLN 46 21.249 -2.614 -9.905 313 HG2 GLN 46 HG2 GLN 46 21.543 -0.591 -11.214 314 HG3 GLN 46 HG3 GLN 46 23.208 -1.049 -11.572 315 HE21 GLN 46 HE21 GLN 46 19.861 -2.113 -11.935 316 HE22 GLN 46 HE22 GLN 46 20.100 -2.945 -13.430 317 HA PRO 47 HA PRO 47 26.881 -1.702 -8.029 318 HB2 PRO 47 HB2 PRO 47 27.648 -4.295 -8.265 319 HB3 PRO 47 HB3 PRO 47 26.941 -3.634 -6.787 320 HG2 PRO 47 HG2 PRO 47 25.640 -5.228 -8.960 321 HG3 PRO 47 HG3 PRO 47 25.456 -5.375 -7.202 322 HD2 PRO 47 HD2 PRO 47 23.640 -4.103 -8.755 323 HD3 PRO 47 HD3 PRO 47 23.977 -3.612 -7.083 324 H LYS 48 H LYS 48 28.853 -2.940 -9.266 325 HA LYS 48 HA LYS 48 30.054 -2.986 -11.198 326 HB2 LYS 48 HB2 LYS 48 27.929 -4.710 -11.526 327 HB3 LYS 48 HB3 LYS 48 27.825 -3.697 -12.961 328 HG2 LYS 48 HG2 LYS 48 29.571 -4.697 -13.902 329 HG3 LYS 48 HG3 LYS 48 30.542 -4.553 -12.434 330 HD2 LYS 48 HD2 LYS 48 30.388 -6.829 -12.574 331 HD3 LYS 48 HD3 LYS 48 28.945 -6.494 -11.615 332 HE2 LYS 48 HE2 LYS 48 27.631 -7.336 -13.197 333 HE3 LYS 48 HE3 LYS 48 28.347 -6.285 -14.417 334 HZ1 LYS 48 HZ1 LYS 48 29.794 -8.693 -13.545 335 HZ2 LYS 48 HZ2 LYS 48 29.869 -7.876 -15.023 336 HZ3 LYS 48 HZ3 LYS 48 28.529 -8.841 -14.658 337 H SER 49 H SER 49 29.818 -2.303 -13.706 338 HA SER 49 HA SER 49 29.567 0.497 -13.686 339 HB2 SER 49 HB2 SER 49 30.885 -1.096 -15.297 340 HB3 SER 49 HB3 SER 49 29.396 -1.067 -16.241 341 HG SER 49 HG SER 49 29.987 0.810 -16.941 342 H HIS 50 H HIS 50 28.228 1.462 -15.716 343 HA HIS 50 HA HIS 50 25.452 0.527 -15.405 344 HB2 HIS 50 HB2 HIS 50 25.964 2.645 -14.138 345 HB3 HIS 50 HB3 HIS 50 26.281 3.419 -15.688 346 HD1 HIS 50 HD1 HIS 50 23.455 1.773 -13.784 347 HD2 HIS 50 HD2 HIS 50 24.063 4.353 -16.984 348 HE1 HIS 50 HE1 HIS 50 21.169 2.608 -14.418 349 H LYS 51 H LYS 51 25.509 -0.609 -17.353 350 HA LYS 51 HA LYS 51 25.212 -0.911 -19.587 351 HB2 LYS 51 HB2 LYS 51 24.138 1.699 -19.009 352 HB3 LYS 51 HB3 LYS 51 24.854 1.688 -20.615 353 HG2 LYS 51 HG2 LYS 51 23.282 0.310 -21.456 354 HG3 LYS 51 HG3 LYS 51 23.132 -0.611 -19.956 355 HD2 LYS 51 HD2 LYS 51 21.358 0.580 -19.325 356 HD3 LYS 51 HD3 LYS 51 22.210 2.101 -19.602 357 HE2 LYS 51 HE2 LYS 51 20.783 0.448 -21.685 358 HE3 LYS 51 HE3 LYS 51 20.203 1.956 -20.978 359 HZ1 LYS 51 HZ1 LYS 51 21.150 2.581 -22.992 360 HZ2 LYS 51 HZ2 LYS 51 22.475 1.545 -22.820 361 HZ3 LYS 51 HZ3 LYS 51 22.362 2.939 -21.867 362 H ILE 52 H ILE 52 27.228 -1.561 -20.205 363 HA ILE 52 HA ILE 52 29.115 0.532 -21.058 364 HB ILE 52 HB ILE 52 30.837 -1.281 -20.997 365 HG12 ILE 52 HG12 ILE 52 28.666 -2.829 -19.565 366 HG13 ILE 52 HG13 ILE 52 29.246 -3.177 -21.191 367 HG21 ILE 52 HG21 ILE 52 30.691 0.280 -19.175 368 HG22 ILE 52 HG22 ILE 52 29.376 -0.637 -18.441 369 HG23 ILE 52 HG23 ILE 52 30.997 -1.329 -18.520 370 HD11 ILE 52 HD11 ILE 52 31.569 -3.306 -19.958 371 HD12 ILE 52 HD12 ILE 52 30.539 -3.658 -18.569 372 HD13 ILE 52 HD13 ILE 52 30.464 -4.680 -20.004 373 H ALA 53 H ALA 53 27.016 -1.890 -22.173 374 HA ALA 53 HA ALA 53 27.739 -1.373 -24.905 375 HB1 ALA 53 HB1 ALA 53 29.352 -3.013 -24.767 376 HB2 ALA 53 HB2 ALA 53 28.423 -3.981 -23.620 377 HB3 ALA 53 HB3 ALA 53 27.953 -3.935 -25.319 378 H GLU 54 H GLU 54 25.891 -1.261 -25.990 379 HA GLU 54 HA GLU 54 23.878 -3.240 -25.903 380 HB2 GLU 54 HB2 GLU 54 23.700 -1.501 -23.767 381 HB3 GLU 54 HB3 GLU 54 22.587 -0.802 -24.935 382 HG2 GLU 54 HG2 GLU 54 21.281 -2.766 -25.012 383 HG3 GLU 54 HG3 GLU 54 22.503 -3.697 -24.147 384 H LYS 55 H LYS 55 23.912 -3.157 -28.107 385 HA LYS 55 HA LYS 55 22.771 -0.735 -29.317 386 HB2 LYS 55 HB2 LYS 55 24.256 -0.895 -31.210 387 HB3 LYS 55 HB3 LYS 55 25.219 -0.823 -29.741 388 HG2 LYS 55 HG2 LYS 55 26.312 -2.574 -30.574 389 HG3 LYS 55 HG3 LYS 55 24.897 -3.520 -30.107 390 HD2 LYS 55 HD2 LYS 55 24.635 -4.060 -32.249 391 HD3 LYS 55 HD3 LYS 55 24.253 -2.368 -32.576 392 HE2 LYS 55 HE2 LYS 55 25.998 -2.629 -34.015 393 HE3 LYS 55 HE3 LYS 55 26.895 -2.160 -32.572 394 HZ1 LYS 55 HZ1 LYS 55 27.537 -4.276 -33.965 395 HZ2 LYS 55 HZ2 LYS 55 26.368 -5.006 -32.985 396 HZ3 LYS 55 HZ3 LYS 55 27.706 -4.247 -32.281 397 H ILE 56 H ILE 56 21.374 -1.067 -31.037 398 HA ILE 56 HA ILE 56 20.142 -3.667 -31.133 399 HB ILE 56 HB ILE 56 18.806 -1.581 -31.205 400 HG12 ILE 56 HG12 ILE 56 18.468 -3.186 -33.743 401 HG13 ILE 56 HG13 ILE 56 18.022 -3.793 -32.152 402 HG21 ILE 56 HG21 ILE 56 18.696 -0.296 -33.288 403 HG22 ILE 56 HG22 ILE 56 20.302 -0.228 -32.564 404 HG23 ILE 56 HG23 ILE 56 20.005 -1.271 -33.954 405 HD11 ILE 56 HD11 ILE 56 16.579 -2.048 -33.922 406 HD12 ILE 56 HD12 ILE 56 16.030 -2.889 -32.471 407 HD13 ILE 56 HD13 ILE 56 16.795 -1.306 -32.338 408 H ILE 57 H ILE 57 19.935 -5.010 -32.936 409 HA ILE 57 HA ILE 57 21.848 -4.490 -35.118 410 HB ILE 57 HB ILE 57 21.165 -7.222 -34.036 411 HG12 ILE 57 HG12 ILE 57 23.858 -6.651 -33.512 412 HG13 ILE 57 HG13 ILE 57 22.979 -5.211 -33.013 413 HG21 ILE 57 HG21 ILE 57 22.156 -6.561 -36.467 414 HG22 ILE 57 HG22 ILE 57 23.643 -6.759 -35.542 415 HG23 ILE 57 HG23 ILE 57 22.484 -8.084 -35.641 416 HD11 ILE 57 HD11 ILE 57 21.534 -7.412 -32.033 417 HD12 ILE 57 HD12 ILE 57 23.236 -7.717 -31.683 418 HD13 ILE 57 HD13 ILE 57 22.473 -6.228 -31.122 419 H ASP 58 H ASP 58 18.977 -6.405 -34.231 420 HA ASP 58 HA ASP 58 18.217 -6.947 -36.910 421 HB2 ASP 58 HB2 ASP 58 16.701 -7.068 -34.302 422 HB3 ASP 58 HB3 ASP 58 15.993 -7.543 -35.843 423 H LYS 59 H LYS 59 16.202 -6.198 -37.927 424 HA LYS 59 HA LYS 59 16.043 -3.312 -37.804 425 HB2 LYS 59 HB2 LYS 59 15.101 -5.434 -39.663 426 HB3 LYS 59 HB3 LYS 59 14.209 -3.919 -39.651 427 HG2 LYS 59 HG2 LYS 59 15.722 -3.376 -41.231 428 HG3 LYS 59 HG3 LYS 59 16.690 -2.945 -39.818 429 HD2 LYS 59 HD2 LYS 59 17.339 -5.529 -39.996 430 HD3 LYS 59 HD3 LYS 59 16.962 -5.226 -41.693 431 HE2 LYS 59 HE2 LYS 59 18.761 -3.891 -41.989 432 HE3 LYS 59 HE3 LYS 59 18.647 -3.201 -40.371 433 HZ1 LYS 59 HZ1 LYS 59 20.527 -4.946 -41.152 434 HZ2 LYS 59 HZ2 LYS 59 19.402 -5.988 -40.440 435 HZ3 LYS 59 HZ3 LYS 59 20.055 -4.711 -39.544 436 H ALA 60 H ALA 60 14.862 -2.492 -36.189 437 HA ALA 60 HA ALA 60 12.786 -3.710 -34.815 438 HB1 ALA 60 HB1 ALA 60 13.802 -1.806 -33.853 439 HB2 ALA 60 HB2 ALA 60 13.414 -0.801 -35.251 440 HB3 ALA 60 HB3 ALA 60 12.128 -1.356 -34.179 441 H LYS 61 H LYS 61 10.480 -3.058 -34.769 442 HA LYS 61 HA LYS 61 9.410 -3.078 -37.482 443 HB2 LYS 61 HB2 LYS 61 8.476 -3.960 -34.825 444 HB3 LYS 61 HB3 LYS 61 7.230 -3.289 -35.870 445 HG2 LYS 61 HG2 LYS 61 9.090 -5.379 -36.914 446 HG3 LYS 61 HG3 LYS 61 7.712 -5.833 -35.911 447 HD2 LYS 61 HD2 LYS 61 6.434 -4.241 -37.605 448 HD3 LYS 61 HD3 LYS 61 7.779 -4.692 -38.655 449 HE2 LYS 61 HE2 LYS 61 7.271 -7.055 -38.293 450 HE3 LYS 61 HE3 LYS 61 5.939 -6.610 -37.228 451 HZ1 LYS 61 HZ1 LYS 61 4.798 -5.600 -39.050 452 HZ2 LYS 61 HZ2 LYS 61 5.243 -7.164 -39.517 453 HZ3 LYS 61 HZ3 LYS 61 6.115 -5.832 -40.087 454 H THR 62 H THR 62 7.747 -1.660 -38.166 455 HA THR 62 HA THR 62 7.822 0.944 -36.800 456 HB THR 62 HB THR 62 6.680 0.839 -39.515 457 HG1 THR 62 HG1 THR 62 9.432 0.274 -39.029 458 HG21 THR 62 HG21 THR 62 7.006 3.007 -38.937 459 HG22 THR 62 HG22 THR 62 8.627 2.701 -39.562 460 HG23 THR 62 HG23 THR 62 8.322 2.624 -37.828 461 H THR 63 H THR 63 5.889 2.181 -36.625 462 HA THR 63 HA THR 63 3.421 0.576 -36.758 463 HB THR 63 HB THR 63 3.569 2.777 -34.773 464 HG1 THR 63 HG1 THR 63 4.687 1.473 -33.299 465 HG21 THR 63 HG21 THR 63 2.606 0.264 -33.796 466 HG22 THR 63 HG22 THR 63 1.879 0.598 -35.367 467 HG23 THR 63 HG23 THR 63 1.720 1.766 -34.055 468 H LEU 64 H LEU 64 1.905 1.391 -38.038 469 HA LEU 64 HA LEU 64 2.153 4.163 -38.939 470 HB2 LEU 64 HB2 LEU 64 0.645 1.783 -39.984 471 HB3 LEU 64 HB3 LEU 64 0.370 3.414 -40.595 472 HG LEU 64 HG LEU 64 2.926 3.393 -41.064 473 HD11 LEU 64 HD11 LEU 64 3.537 1.390 -39.927 474 HD12 LEU 64 HD12 LEU 64 3.709 1.097 -41.657 475 HD13 LEU 64 HD13 LEU 64 2.313 0.458 -40.789 476 HD21 LEU 64 HD21 LEU 64 0.673 2.889 -42.577 477 HD22 LEU 64 HD22 LEU 64 1.747 1.546 -42.970 478 HD23 LEU 64 HD23 LEU 64 2.294 3.208 -43.194 Start of MODEL 17 1 H1 ALA 1 H ALA 1 3.292 -4.042 -12.318 2 HA ALA 1 HA ALA 1 2.174 -2.534 -11.028 3 HB1 ALA 1 HB1 ALA 1 -0.014 -2.988 -10.344 4 HB2 ALA 1 HB2 ALA 1 0.219 -4.017 -11.759 5 HB3 ALA 1 HB3 ALA 1 0.311 -4.711 -10.140 6 H LYS 2 H LYS 2 4.349 -4.229 -9.973 7 HA LYS 2 HA LYS 2 3.812 -4.880 -7.264 8 HB2 LYS 2 HB2 LYS 2 5.778 -5.588 -8.866 9 HB3 LYS 2 HB3 LYS 2 6.562 -4.163 -8.199 10 HG2 LYS 2 HG2 LYS 2 6.451 -5.046 -5.987 11 HG3 LYS 2 HG3 LYS 2 5.435 -6.388 -6.517 12 HD2 LYS 2 HD2 LYS 2 8.082 -6.046 -7.826 13 HD3 LYS 2 HD3 LYS 2 8.051 -6.658 -6.170 14 HE2 LYS 2 HE2 LYS 2 6.632 -8.486 -6.817 15 HE3 LYS 2 HE3 LYS 2 6.451 -7.827 -8.442 16 HZ1 LYS 2 HZ1 LYS 2 8.534 -9.460 -7.373 17 HZ2 LYS 2 HZ2 LYS 2 9.152 -8.059 -8.091 18 HZ3 LYS 2 HZ3 LYS 2 8.169 -9.104 -8.986 19 H ALA 3 H ALA 3 3.917 -3.688 -5.447 20 HA ALA 3 HA ALA 3 4.211 -0.814 -5.734 21 HB1 ALA 3 HB1 ALA 3 2.486 -2.277 -4.284 22 HB2 ALA 3 HB2 ALA 3 3.720 -1.966 -3.063 23 HB3 ALA 3 HB3 ALA 3 2.932 -0.618 -3.883 24 H CYS 4 H CYS 4 6.500 -2.850 -5.759 25 HA CYS 4 HA CYS 4 8.039 -2.221 -3.412 26 HB2 CYS 4 HB2 CYS 4 9.719 -3.621 -4.317 27 HB3 CYS 4 HB3 CYS 4 8.193 -4.369 -4.777 28 H THR 5 H THR 5 10.565 -1.761 -4.349 29 HA THR 5 HA THR 5 10.364 0.759 -5.854 30 HB THR 5 HB THR 5 12.116 0.376 -3.420 31 HG1 THR 5 HG1 THR 5 10.368 0.879 -2.350 32 HG21 THR 5 HG21 THR 5 12.945 2.463 -3.780 33 HG22 THR 5 HG22 THR 5 11.450 3.047 -4.512 34 HG23 THR 5 HG23 THR 5 12.568 2.060 -5.454 35 HA PRO 6 HA PRO 6 13.534 -1.843 -7.880 36 HB2 PRO 6 HB2 PRO 6 13.096 -0.807 -10.351 37 HB3 PRO 6 HB3 PRO 6 12.118 -2.113 -9.670 38 HG2 PRO 6 HG2 PRO 6 11.528 0.819 -9.813 39 HG3 PRO 6 HG3 PRO 6 10.452 -0.557 -10.127 40 HD2 PRO 6 HD2 PRO 6 10.416 0.817 -7.794 41 HD3 PRO 6 HD3 PRO 6 10.053 -0.918 -7.887 42 H LEU 7 H LEU 7 14.987 -0.809 -9.910 43 HA LEU 7 HA LEU 7 16.726 1.000 -8.586 44 HB2 LEU 7 HB2 LEU 7 17.220 -0.775 -10.408 45 HB3 LEU 7 HB3 LEU 7 16.793 0.508 -11.537 46 HG LEU 7 HG LEU 7 18.654 1.674 -9.829 47 HD11 LEU 7 HD11 LEU 7 20.512 -0.172 -10.436 48 HD12 LEU 7 HD12 LEU 7 19.131 -1.220 -10.113 49 HD13 LEU 7 HD13 LEU 7 19.687 -0.089 -8.879 50 HD21 LEU 7 HD21 LEU 7 20.092 0.944 -12.038 51 HD22 LEU 7 HD22 LEU 7 19.039 2.354 -11.925 52 HD23 LEU 7 HD23 LEU 7 18.430 0.852 -12.623 53 H LEU 8 H LEU 8 17.314 3.133 -9.211 54 HA LEU 8 HA LEU 8 16.926 5.290 -9.818 55 HB2 LEU 8 HB2 LEU 8 14.973 4.246 -11.849 56 HB3 LEU 8 HB3 LEU 8 15.887 5.753 -11.893 57 HG LEU 8 HG LEU 8 17.171 3.034 -12.084 58 HD11 LEU 8 HD11 LEU 8 15.591 3.375 -13.941 59 HD12 LEU 8 HD12 LEU 8 17.271 3.359 -14.478 60 HD13 LEU 8 HD13 LEU 8 16.406 4.890 -14.334 61 HD21 LEU 8 HD21 LEU 8 18.901 4.585 -13.260 62 HD22 LEU 8 HD22 LEU 8 18.841 4.512 -11.500 63 HD23 LEU 8 HD23 LEU 8 18.092 5.863 -12.353 64 H HIS 9 H HIS 9 15.320 3.992 -7.784 65 HA HIS 9 HA HIS 9 13.034 5.835 -7.824 66 HB2 HIS 9 HB2 HIS 9 12.990 2.877 -7.453 67 HB3 HIS 9 HB3 HIS 9 11.890 3.844 -6.476 68 HD1 HIS 9 HD1 HIS 9 9.896 4.919 -7.655 69 HD2 HIS 9 HD2 HIS 9 12.450 2.894 -10.232 70 HE1 HIS 9 HE1 HIS 9 8.666 4.772 -9.844 71 H ASP 10 H ASP 10 12.542 6.782 -5.888 72 HA ASP 10 HA ASP 10 14.503 7.129 -3.978 73 HB2 ASP 10 HB2 ASP 10 11.560 7.335 -3.349 74 HB3 ASP 10 HB3 ASP 10 12.886 8.275 -2.669 75 H CYS 11 H CYS 11 15.166 6.075 -2.203 76 HA CYS 11 HA CYS 11 13.634 3.695 -1.378 77 HB2 CYS 11 HB2 CYS 11 15.667 2.550 -0.907 78 HB3 CYS 11 HB3 CYS 11 15.862 3.267 -2.503 79 H SER 12 H SER 12 13.935 6.662 -0.450 80 HA SER 12 HA SER 12 15.067 6.677 2.111 81 HB2 SER 12 HB2 SER 12 13.505 8.651 2.494 82 HB3 SER 12 HB3 SER 12 14.575 8.776 1.097 83 HG SER 12 HG SER 12 11.838 8.622 1.207 84 H HIS 13 H HIS 13 12.155 5.289 0.958 85 HA HIS 13 HA HIS 13 10.673 5.313 3.384 86 HB2 HIS 13 HB2 HIS 13 10.488 3.667 0.867 87 HB3 HIS 13 HB3 HIS 13 9.413 3.399 2.235 88 HD1 HIS 13 HD1 HIS 13 9.808 5.430 -0.753 89 HD2 HIS 13 HD2 HIS 13 7.800 5.763 2.868 90 HE1 HIS 13 HE1 HIS 13 8.091 7.234 -1.100 91 H ASP 14 H ASP 14 12.634 2.805 1.789 92 HA ASP 14 HA ASP 14 13.555 1.780 4.289 93 HB2 ASP 14 HB2 ASP 14 11.237 0.513 2.967 94 HB3 ASP 14 HB3 ASP 14 12.518 -0.589 3.462 95 H ARG 15 H ARG 15 15.568 1.160 3.911 96 HA ARG 15 HA ARG 15 16.649 0.913 1.323 97 HB2 ARG 15 HB2 ARG 15 18.669 0.022 2.525 98 HB3 ARG 15 HB3 ARG 15 18.091 1.578 3.104 99 HG2 ARG 15 HG2 ARG 15 16.949 -0.712 4.517 100 HG3 ARG 15 HG3 ARG 15 18.700 -0.560 4.675 101 HD2 ARG 15 HD2 ARG 15 17.467 2.014 4.955 102 HD3 ARG 15 HD3 ARG 15 16.706 0.865 6.055 103 HE ARG 15 HE ARG 15 19.516 0.630 6.198 104 HH11 ARG 15 HH11 ARG 15 16.905 2.738 7.124 105 HH12 ARG 15 HH12 ARG 15 17.740 3.381 8.500 106 HH21 ARG 15 HH21 ARG 15 20.625 1.470 8.005 107 HH22 ARG 15 HH22 ARG 15 19.856 2.660 9.000 108 H HIS 16 H HIS 16 15.132 -1.362 3.430 109 HA HIS 16 HA HIS 16 16.092 -3.628 1.838 110 HB2 HIS 16 HB2 HIS 16 15.026 -5.023 3.594 111 HB3 HIS 16 HB3 HIS 16 16.247 -3.930 4.239 112 HD1 HIS 16 HD1 HIS 16 15.535 -2.469 6.126 113 HD2 HIS 16 HD2 HIS 16 12.297 -4.055 4.060 114 HE1 HIS 16 HE1 HIS 16 13.501 -1.797 7.444 115 H SER 17 H SER 17 13.772 -1.447 1.501 116 HA SER 17 HA SER 17 11.556 -3.244 0.934 117 HB2 SER 17 HB2 SER 17 10.877 -1.209 1.956 118 HB3 SER 17 HB3 SER 17 11.860 -0.242 0.856 119 HG SER 17 HG SER 17 9.494 -1.685 0.267 120 H CYS 18 H CYS 18 14.086 -1.559 -0.719 121 HA CYS 18 HA CYS 18 13.095 -1.306 -3.283 122 HB2 CYS 18 HB2 CYS 18 15.851 -1.891 -2.231 123 HB3 CYS 18 HB3 CYS 18 15.552 -1.788 -3.963 124 H CYS 19 H CYS 19 12.914 -2.623 -5.062 125 HA CYS 19 HA CYS 19 12.152 -5.250 -4.747 126 HB2 CYS 19 HB2 CYS 19 12.965 -3.572 -7.054 127 HB3 CYS 19 HB3 CYS 19 12.972 -5.313 -7.313 128 H ARG 20 H ARG 20 13.215 -7.183 -5.831 129 HA ARG 20 HA ARG 20 16.117 -7.191 -5.346 130 HB2 ARG 20 HB2 ARG 20 14.295 -9.483 -4.620 131 HB3 ARG 20 HB3 ARG 20 15.998 -9.297 -4.226 132 HG2 ARG 20 HG2 ARG 20 15.399 -7.345 -2.812 133 HG3 ARG 20 HG3 ARG 20 13.698 -7.701 -3.124 134 HD2 ARG 20 HD2 ARG 20 14.193 -10.034 -2.232 135 HD3 ARG 20 HD3 ARG 20 15.718 -9.368 -1.649 136 HE ARG 20 HE ARG 20 13.719 -7.695 -0.722 137 HH11 ARG 20 HH11 ARG 20 14.647 -11.032 -0.367 138 HH12 ARG 20 HH12 ARG 20 14.003 -11.176 1.234 139 HH21 ARG 20 HH21 ARG 20 12.868 -7.872 1.386 140 HH22 ARG 20 HH22 ARG 20 12.990 -9.379 2.231 141 H GLY 21 H GLY 21 17.335 -8.647 -6.603 142 HA2 GLY 21 HA2 GLY 21 15.916 -9.566 -9.021 143 HA3 GLY 21 HA3 GLY 21 17.605 -9.086 -8.975 144 H ASP 22 H ASP 22 18.035 -11.127 -10.026 145 HA ASP 22 HA ASP 22 17.727 -13.493 -8.327 146 HB2 ASP 22 HB2 ASP 22 17.194 -13.307 -10.916 147 HB3 ASP 22 HB3 ASP 22 18.918 -13.635 -11.061 148 H MET 23 H MET 23 20.098 -11.279 -9.527 149 HA MET 23 HA MET 23 22.316 -12.999 -8.743 150 HB2 MET 23 HB2 MET 23 22.382 -10.194 -9.865 151 HB3 MET 23 HB3 MET 23 23.751 -11.284 -9.693 152 HG2 MET 23 HG2 MET 23 22.569 -12.847 -11.263 153 HG3 MET 23 HG3 MET 23 21.407 -11.554 -11.552 154 HE1 MET 23 HE1 MET 23 21.556 -9.745 -12.659 155 HE2 MET 23 HE2 MET 23 22.984 -8.848 -13.175 156 HE3 MET 23 HE3 MET 23 22.257 -10.042 -14.250 157 H PHE 24 H PHE 24 21.663 -9.542 -8.175 158 HA PHE 24 HA PHE 24 22.214 -9.957 -5.324 159 HB2 PHE 24 HB2 PHE 24 24.247 -9.112 -6.690 160 HB3 PHE 24 HB3 PHE 24 23.369 -7.587 -6.769 161 HD1 PHE 24 HD1 PHE 24 24.574 -10.119 -4.322 162 HD2 PHE 24 HD2 PHE 24 23.631 -6.038 -5.079 163 HE1 PHE 24 HE1 PHE 24 25.453 -9.508 -2.105 164 HE2 PHE 24 HE2 PHE 24 24.510 -5.421 -2.864 165 HZ PHE 24 HZ PHE 24 25.422 -7.156 -1.375 166 H LYS 25 H LYS 25 21.555 -8.086 -3.986 167 HA LYS 25 HA LYS 25 19.030 -7.021 -4.980 168 HB2 LYS 25 HB2 LYS 25 18.909 -8.061 -2.823 169 HB3 LYS 25 HB3 LYS 25 20.269 -7.115 -2.228 170 HG2 LYS 25 HG2 LYS 25 18.937 -5.085 -2.362 171 HG3 LYS 25 HG3 LYS 25 17.577 -6.008 -3.002 172 HD2 LYS 25 HD2 LYS 25 17.042 -6.874 -0.979 173 HD3 LYS 25 HD3 LYS 25 18.725 -6.976 -0.459 174 HE2 LYS 25 HE2 LYS 25 18.606 -4.396 -0.367 175 HE3 LYS 25 HE3 LYS 25 16.859 -4.633 -0.379 176 HZ1 LYS 25 HZ1 LYS 25 18.537 -6.091 1.554 177 HZ2 LYS 25 HZ2 LYS 25 16.901 -5.676 1.662 178 HZ3 LYS 25 HZ3 LYS 25 18.089 -4.489 1.861 179 H TYR 26 H TYR 26 18.526 -4.844 -5.073 180 HA TYR 26 HA TYR 26 20.662 -3.082 -5.684 181 HB2 TYR 26 HB2 TYR 26 17.825 -2.238 -5.106 182 HB3 TYR 26 HB3 TYR 26 18.994 -1.463 -6.168 183 HD1 TYR 26 HD2 TYR 26 19.975 -3.467 -7.910 184 HD2 TYR 26 HD1 TYR 26 16.053 -3.078 -6.310 185 HE1 TYR 26 HE2 TYR 26 19.078 -4.725 -9.824 186 HE2 TYR 26 HE1 TYR 26 15.144 -4.336 -8.218 187 HH TYR 26 HH TYR 26 17.273 -5.676 -10.719 188 H VAL 27 H VAL 27 21.462 -1.315 -4.577 189 HA VAL 27 HA VAL 27 20.894 -1.293 -1.690 190 HB VAL 27 HB VAL 27 23.112 -0.072 -1.537 191 HG11 VAL 27 HG11 VAL 27 24.004 -2.590 -2.593 192 HG12 VAL 27 HG12 VAL 27 23.898 -2.055 -0.915 193 HG13 VAL 27 HG13 VAL 27 22.503 -2.803 -1.692 194 HG21 VAL 27 HG21 VAL 27 23.090 0.469 -4.025 195 HG22 VAL 27 HG22 VAL 27 24.618 -0.093 -3.347 196 HG23 VAL 27 HG23 VAL 27 23.608 -1.197 -4.280 197 H CYS 28 H CYS 28 21.423 0.942 -0.687 198 HA CYS 28 HA CYS 28 19.788 2.894 -2.113 199 HB2 CYS 28 HB2 CYS 28 20.488 2.379 0.716 200 HB3 CYS 28 HB3 CYS 28 20.296 4.071 0.270 201 H ASP 29 H ASP 29 20.570 4.692 -3.016 202 HA ASP 29 HA ASP 29 23.315 5.518 -2.351 203 HB2 ASP 29 HB2 ASP 29 22.451 4.441 -4.814 204 HB3 ASP 29 HB3 ASP 29 22.683 6.167 -5.082 205 H CYS 30 H CYS 30 23.335 7.515 -1.585 206 HA CYS 30 HA CYS 30 21.127 9.323 -2.249 207 HB2 CYS 30 HB2 CYS 30 23.238 9.621 -0.103 208 HB3 CYS 30 HB3 CYS 30 21.789 10.604 -0.297 209 H PHE 31 H PHE 31 21.433 11.314 -3.166 210 HA PHE 31 HA PHE 31 24.146 12.206 -3.757 211 HB2 PHE 31 HB2 PHE 31 23.346 12.646 -6.176 212 HB3 PHE 31 HB3 PHE 31 23.817 11.007 -5.740 213 HD1 PHE 31 HD2 PHE 31 22.105 9.277 -5.394 214 HD2 PHE 31 HD1 PHE 31 21.102 13.180 -6.763 215 HE1 PHE 31 HE2 PHE 31 19.912 8.448 -6.141 216 HE2 PHE 31 HE1 PHE 31 18.908 12.358 -7.510 217 HZ PHE 31 HZ PHE 31 18.311 9.988 -7.202 218 H TYR 32 H TYR 32 24.022 14.387 -4.976 219 HA TYR 32 HA TYR 32 21.909 15.989 -3.696 220 HB2 TYR 32 HB2 TYR 32 24.577 17.018 -4.658 221 HB3 TYR 32 HB3 TYR 32 23.435 17.814 -3.580 222 HD1 TYR 32 HD1 TYR 32 23.083 16.856 -1.270 223 HD2 TYR 32 HD2 TYR 32 26.253 15.592 -3.811 224 HE1 TYR 32 HE1 TYR 32 24.266 15.929 0.677 225 HE2 TYR 32 HE2 TYR 32 27.444 14.660 -1.872 226 HH TYR 32 HH TYR 32 27.333 15.284 0.830 227 HA PRO 33 HA PRO 33 21.003 16.261 -8.205 228 HB2 PRO 33 HB2 PRO 33 18.309 16.330 -7.874 229 HB3 PRO 33 HB3 PRO 33 19.229 14.823 -7.950 230 HG2 PRO 33 HG2 PRO 33 18.208 16.299 -5.554 231 HG3 PRO 33 HG3 PRO 33 18.188 14.558 -5.888 232 HD2 PRO 33 HD2 PRO 33 20.023 15.708 -4.264 233 HD3 PRO 33 HD3 PRO 33 20.388 14.284 -5.259 234 H GLU 34 H GLU 34 22.054 18.436 -7.533 235 HA GLU 34 HA GLU 34 22.002 20.705 -7.691 236 HB2 GLU 34 HB2 GLU 34 20.280 19.975 -9.540 237 HB3 GLU 34 HB3 GLU 34 19.104 20.662 -8.429 238 HG2 GLU 34 HG2 GLU 34 20.020 22.808 -8.603 239 HG3 GLU 34 HG3 GLU 34 21.511 22.205 -9.324 240 H GLY 35 H GLY 35 21.242 19.315 -5.222 241 HA2 GLY 35 HA2 GLY 35 20.056 21.618 -3.875 242 HA3 GLY 35 HA3 GLY 35 19.210 20.087 -3.713 243 H GLU 36 H GLU 36 22.704 20.449 -3.869 244 HA GLU 36 HA GLU 36 23.179 18.821 -1.642 245 HB2 GLU 36 HB2 GLU 36 25.469 19.399 -1.863 246 HB3 GLU 36 HB3 GLU 36 24.804 19.405 -3.491 247 HG2 GLU 36 HG2 GLU 36 24.507 21.915 -3.182 248 HG3 GLU 36 HG3 GLU 36 25.551 21.744 -1.773 249 H ASP 37 H ASP 37 22.346 22.144 -1.859 250 HA ASP 37 HA ASP 37 23.203 22.665 0.894 251 HB2 ASP 37 HB2 ASP 37 23.767 24.339 -0.842 252 HB3 ASP 37 HB3 ASP 37 22.049 24.572 -1.153 253 H LYS 38 H LYS 38 20.463 21.782 -0.897 254 HA LYS 38 HA LYS 38 18.614 22.791 1.141 255 HB2 LYS 38 HB2 LYS 38 17.981 23.260 -1.158 256 HB3 LYS 38 HB3 LYS 38 18.104 21.554 -1.570 257 HG2 LYS 38 HG2 LYS 38 16.250 21.066 -0.034 258 HG3 LYS 38 HG3 LYS 38 16.112 22.789 0.322 259 HD2 LYS 38 HD2 LYS 38 16.000 21.860 -2.515 260 HD3 LYS 38 HD3 LYS 38 14.577 21.680 -1.486 261 HE2 LYS 38 HE2 LYS 38 14.643 24.081 -0.993 262 HE3 LYS 38 HE3 LYS 38 16.058 24.253 -2.030 263 HZ1 LYS 38 HZ1 LYS 38 13.551 23.116 -3.089 264 HZ2 LYS 38 HZ2 LYS 38 14.815 23.866 -3.927 265 HZ3 LYS 38 HZ3 LYS 38 13.756 24.792 -2.988 266 H THR 39 H THR 39 18.695 19.802 -0.792 267 HA THR 39 HA THR 39 18.848 18.150 1.567 268 HB THR 39 HB THR 39 16.457 18.687 1.573 269 HG1 THR 39 HG1 THR 39 15.843 16.605 1.844 270 HG21 THR 39 HG21 THR 39 16.545 17.600 -1.239 271 HG22 THR 39 HG22 THR 39 16.018 19.198 -0.713 272 HG23 THR 39 HG23 THR 39 15.054 17.777 -0.315 273 H GLU 40 H GLU 40 18.939 15.845 1.040 274 HA GLU 40 HA GLU 40 19.997 15.433 -1.672 275 HB2 GLU 40 HB2 GLU 40 21.030 13.350 -0.560 276 HB3 GLU 40 HB3 GLU 40 21.720 14.923 -0.182 277 HG2 GLU 40 HG2 GLU 40 21.510 13.552 1.809 278 HG3 GLU 40 HG3 GLU 40 20.486 14.983 1.910 279 H VAL 41 H VAL 41 19.583 13.376 -2.711 280 HA VAL 41 HA VAL 41 17.017 12.185 -1.878 281 HB VAL 41 HB VAL 41 18.040 12.549 -4.698 282 HG11 VAL 41 HG11 VAL 41 16.084 10.769 -3.584 283 HG12 VAL 41 HG12 VAL 41 15.311 11.910 -4.685 284 HG13 VAL 41 HG13 VAL 41 16.648 10.907 -5.248 285 HG21 VAL 41 HG21 VAL 41 17.285 14.641 -3.653 286 HG22 VAL 41 HG22 VAL 41 16.216 14.134 -4.962 287 HG23 VAL 41 HG23 VAL 41 15.734 13.886 -3.284 288 H CYS 42 H CYS 42 16.988 10.052 -1.556 289 HA CYS 42 HA CYS 42 19.333 8.496 -2.425 290 HB2 CYS 42 HB2 CYS 42 17.464 7.897 -0.124 291 HB3 CYS 42 HB3 CYS 42 18.940 7.027 -0.532 292 H SER 43 H SER 43 19.012 6.979 -3.905 293 HA SER 43 HA SER 43 16.332 5.790 -4.159 294 HB2 SER 43 HB2 SER 43 16.500 5.863 -6.585 295 HB3 SER 43 HB3 SER 43 16.698 7.492 -5.938 296 HG SER 43 HG SER 43 18.608 5.780 -7.083 297 H CYS 44 H CYS 44 16.472 3.798 -5.679 298 HA CYS 44 HA CYS 44 18.436 2.031 -4.523 299 HB2 CYS 44 HB2 CYS 44 16.396 1.387 -6.657 300 HB3 CYS 44 HB3 CYS 44 17.218 0.255 -5.589 301 H GLN 45 H GLN 45 20.352 1.569 -5.364 302 HA GLN 45 HA GLN 45 20.721 1.799 -8.271 303 HB2 GLN 45 HB2 GLN 45 22.492 2.911 -6.099 304 HB3 GLN 45 HB3 GLN 45 23.064 2.645 -7.740 305 HG2 GLN 45 HG2 GLN 45 20.571 4.153 -7.597 306 HG3 GLN 45 HG3 GLN 45 21.933 4.943 -6.804 307 HE21 GLN 45 HE21 GLN 45 20.744 3.634 -9.822 308 HE22 GLN 45 HE22 GLN 45 21.830 4.500 -10.848 309 H GLN 46 H GLN 46 22.510 0.540 -9.116 310 HA GLN 46 HA GLN 46 22.707 -2.013 -7.783 311 HB2 GLN 46 HB2 GLN 46 23.060 -0.996 -10.477 312 HB3 GLN 46 HB3 GLN 46 24.377 -2.067 -10.018 313 HG2 GLN 46 HG2 GLN 46 23.088 -3.887 -10.103 314 HG3 GLN 46 HG3 GLN 46 21.734 -3.083 -9.311 315 HE21 GLN 46 HE21 GLN 46 19.992 -2.919 -10.509 316 HE22 GLN 46 HE22 GLN 46 19.940 -2.807 -12.232 317 HA PRO 47 HA PRO 47 26.672 -1.622 -5.951 318 HB2 PRO 47 HB2 PRO 47 27.769 -4.062 -6.416 319 HB3 PRO 47 HB3 PRO 47 26.459 -3.802 -5.256 320 HG2 PRO 47 HG2 PRO 47 26.326 -4.822 -8.068 321 HG3 PRO 47 HG3 PRO 47 25.478 -5.406 -6.625 322 HD2 PRO 47 HD2 PRO 47 24.293 -3.814 -8.467 323 HD3 PRO 47 HD3 PRO 47 23.877 -3.751 -6.741 324 H LYS 48 H LYS 48 26.467 -0.675 -8.727 325 HA LYS 48 HA LYS 48 29.293 -0.648 -9.324 326 HB2 LYS 48 HB2 LYS 48 29.164 -1.497 -11.547 327 HB3 LYS 48 HB3 LYS 48 28.384 -2.679 -10.504 328 HG2 LYS 48 HG2 LYS 48 26.192 -1.547 -11.138 329 HG3 LYS 48 HG3 LYS 48 27.114 -0.748 -12.414 330 HD2 LYS 48 HD2 LYS 48 27.029 -3.737 -12.034 331 HD3 LYS 48 HD3 LYS 48 25.941 -2.856 -13.110 332 HE2 LYS 48 HE2 LYS 48 27.728 -2.152 -14.491 333 HE3 LYS 48 HE3 LYS 48 28.936 -2.649 -13.306 334 HZ1 LYS 48 HZ1 LYS 48 27.137 -4.697 -14.365 335 HZ2 LYS 48 HZ2 LYS 48 28.757 -4.822 -13.896 336 HZ3 LYS 48 HZ3 LYS 48 28.360 -4.124 -15.385 337 H SER 49 H SER 49 29.876 0.994 -10.859 338 HA SER 49 HA SER 49 27.955 3.189 -10.869 339 HB2 SER 49 HB2 SER 49 29.740 4.586 -10.814 340 HB3 SER 49 HB3 SER 49 30.631 3.142 -10.335 341 HG SER 49 HG SER 49 31.092 2.822 -12.581 342 H HIS 50 H HIS 50 28.165 4.658 -12.903 343 HA HIS 50 HA HIS 50 28.551 3.254 -15.392 344 HB2 HIS 50 HB2 HIS 50 26.209 2.648 -14.521 345 HB3 HIS 50 HB3 HIS 50 25.783 4.320 -14.870 346 HD1 HIS 50 HD1 HIS 50 27.748 4.147 -17.534 347 HD2 HIS 50 HD2 HIS 50 24.406 1.871 -16.582 348 HE1 HIS 50 HE1 HIS 50 26.889 3.264 -19.726 349 H LYS 51 H LYS 51 30.099 5.108 -15.241 350 HA LYS 51 HA LYS 51 29.045 7.328 -16.758 351 HB2 LYS 51 HB2 LYS 51 28.732 7.907 -14.298 352 HB3 LYS 51 HB3 LYS 51 30.486 7.946 -14.181 353 HG2 LYS 51 HG2 LYS 51 30.409 9.643 -16.080 354 HG3 LYS 51 HG3 LYS 51 28.678 9.752 -15.751 355 HD2 LYS 51 HD2 LYS 51 29.010 11.008 -13.934 356 HD3 LYS 51 HD3 LYS 51 30.273 9.931 -13.330 357 HE2 LYS 51 HE2 LYS 51 31.397 11.938 -13.670 358 HE3 LYS 51 HE3 LYS 51 31.758 11.018 -15.131 359 HZ1 LYS 51 HZ1 LYS 51 29.631 12.249 -15.987 360 HZ2 LYS 51 HZ2 LYS 51 31.143 13.006 -16.026 361 HZ3 LYS 51 HZ3 LYS 51 30.045 13.371 -14.791 362 H ILE 52 H ILE 52 30.681 5.568 -17.802 363 HA ILE 52 HA ILE 52 33.362 6.788 -17.678 364 HB ILE 52 HB ILE 52 33.299 4.416 -16.954 365 HG12 ILE 52 HG12 ILE 52 34.770 4.198 -19.492 366 HG13 ILE 52 HG13 ILE 52 35.113 5.665 -18.583 367 HG21 ILE 52 HG21 ILE 52 31.481 4.061 -18.939 368 HG22 ILE 52 HG22 ILE 52 32.936 3.400 -19.682 369 HG23 ILE 52 HG23 ILE 52 32.362 2.757 -18.144 370 HD11 ILE 52 HD11 ILE 52 36.404 4.555 -17.175 371 HD12 ILE 52 HD12 ILE 52 35.131 3.378 -16.846 372 HD13 ILE 52 HD13 ILE 52 36.221 3.140 -18.211 373 H ALA 53 H ALA 53 30.627 6.209 -19.604 374 HA ALA 53 HA ALA 53 32.050 7.245 -21.950 375 HB1 ALA 53 HB1 ALA 53 31.160 5.663 -23.430 376 HB2 ALA 53 HB2 ALA 53 31.709 4.716 -22.046 377 HB3 ALA 53 HB3 ALA 53 29.994 5.077 -22.243 378 H GLU 54 H GLU 54 30.809 9.046 -20.609 379 HA GLU 54 HA GLU 54 28.014 9.229 -21.435 380 HB2 GLU 54 HB2 GLU 54 29.302 9.989 -19.131 381 HB3 GLU 54 HB3 GLU 54 29.164 11.512 -19.998 382 HG2 GLU 54 HG2 GLU 54 27.014 11.682 -19.509 383 HG3 GLU 54 HG3 GLU 54 26.686 10.056 -20.105 384 H LYS 55 H LYS 55 31.140 10.561 -22.156 385 HA LYS 55 HA LYS 55 29.950 12.071 -24.364 386 HB2 LYS 55 HB2 LYS 55 31.793 13.168 -22.253 387 HB3 LYS 55 HB3 LYS 55 31.696 13.894 -23.852 388 HG2 LYS 55 HG2 LYS 55 29.095 13.837 -23.272 389 HG3 LYS 55 HG3 LYS 55 29.744 13.918 -21.633 390 HD2 LYS 55 HD2 LYS 55 29.936 16.119 -21.916 391 HD3 LYS 55 HD3 LYS 55 31.220 15.786 -23.082 392 HE2 LYS 55 HE2 LYS 55 29.032 15.398 -24.622 393 HE3 LYS 55 HE3 LYS 55 28.432 16.632 -23.515 394 HZ1 LYS 55 HZ1 LYS 55 29.819 18.185 -24.349 395 HZ2 LYS 55 HZ2 LYS 55 29.753 17.208 -25.728 396 HZ3 LYS 55 HZ3 LYS 55 31.066 17.088 -24.669 397 H ILE 56 H ILE 56 31.502 12.620 -26.053 398 HA ILE 56 HA ILE 56 33.388 10.461 -26.449 399 HB ILE 56 HB ILE 56 33.728 11.476 -28.691 400 HG12 ILE 56 HG12 ILE 56 31.497 13.371 -27.955 401 HG13 ILE 56 HG13 ILE 56 33.193 13.826 -27.847 402 HG21 ILE 56 HG21 ILE 56 32.123 9.967 -29.063 403 HG22 ILE 56 HG22 ILE 56 31.227 10.432 -27.618 404 HG23 ILE 56 HG23 ILE 56 31.020 11.343 -29.115 405 HD11 ILE 56 HD11 ILE 56 32.408 12.666 -30.417 406 HD12 ILE 56 HD12 ILE 56 31.627 14.198 -30.020 407 HD13 ILE 56 HD13 ILE 56 33.386 14.089 -30.058 408 H ILE 57 H ILE 57 35.536 11.101 -27.546 409 HA ILE 57 HA ILE 57 36.859 13.008 -25.764 410 HB ILE 57 HB ILE 57 38.951 11.988 -26.455 411 HG12 ILE 57 HG12 ILE 57 38.097 9.706 -27.894 412 HG13 ILE 57 HG13 ILE 57 37.365 11.100 -28.680 413 HG21 ILE 57 HG21 ILE 57 37.365 9.551 -26.004 414 HG22 ILE 57 HG22 ILE 57 38.722 10.208 -25.093 415 HG23 ILE 57 HG23 ILE 57 37.100 10.858 -24.851 416 HD11 ILE 57 HD11 ILE 57 40.294 10.680 -28.143 417 HD12 ILE 57 HD12 ILE 57 39.479 10.590 -29.705 418 HD13 ILE 57 HD13 ILE 57 39.591 12.131 -28.856 419 H ASP 58 H ASP 58 38.536 14.422 -26.650 420 HA ASP 58 HA ASP 58 38.130 15.155 -29.462 421 HB2 ASP 58 HB2 ASP 58 37.163 16.651 -27.268 422 HB3 ASP 58 HB3 ASP 58 38.555 17.528 -27.897 423 H LYS 59 H LYS 59 39.788 17.252 -29.715 424 HA LYS 59 HA LYS 59 42.350 16.050 -29.692 425 HB2 LYS 59 HB2 LYS 59 41.476 18.897 -30.195 426 HB3 LYS 59 HB3 LYS 59 43.131 18.338 -30.400 427 HG2 LYS 59 HG2 LYS 59 41.448 16.565 -31.825 428 HG3 LYS 59 HG3 LYS 59 40.968 18.214 -32.234 429 HD2 LYS 59 HD2 LYS 59 43.867 17.506 -32.196 430 HD3 LYS 59 HD3 LYS 59 42.877 17.006 -33.569 431 HE2 LYS 59 HE2 LYS 59 42.511 19.159 -34.262 432 HE3 LYS 59 HE3 LYS 59 42.685 19.826 -32.640 433 HZ1 LYS 59 HZ1 LYS 59 44.943 19.912 -32.816 434 HZ2 LYS 59 HZ2 LYS 59 44.535 20.158 -34.439 435 HZ3 LYS 59 HZ3 LYS 59 45.038 18.630 -33.915 436 H ALA 60 H ALA 60 44.289 16.960 -28.669 437 HA ALA 60 HA ALA 60 44.015 18.625 -26.352 438 HB1 ALA 60 HB1 ALA 60 44.225 15.664 -26.050 439 HB2 ALA 60 HB2 ALA 60 45.014 16.716 -24.874 440 HB3 ALA 60 HB3 ALA 60 43.272 16.826 -25.126 441 H LYS 61 H LYS 61 46.145 18.746 -25.136 442 HA LYS 61 HA LYS 61 48.489 17.918 -26.616 443 HB2 LYS 61 HB2 LYS 61 47.813 19.995 -27.767 444 HB3 LYS 61 HB3 LYS 61 47.881 20.856 -26.235 445 HG2 LYS 61 HG2 LYS 61 50.356 19.470 -26.751 446 HG3 LYS 61 HG3 LYS 61 49.933 20.548 -28.083 447 HD2 LYS 61 HD2 LYS 61 50.191 22.416 -26.828 448 HD3 LYS 61 HD3 LYS 61 49.589 21.642 -25.360 449 HE2 LYS 61 HE2 LYS 61 51.719 21.624 -24.686 450 HE3 LYS 61 HE3 LYS 61 51.945 20.308 -25.839 451 HZ1 LYS 61 HZ1 LYS 61 53.606 21.934 -26.248 452 HZ2 LYS 61 HZ2 LYS 61 52.477 23.193 -26.282 453 HZ3 LYS 61 HZ3 LYS 61 52.495 22.040 -27.518 454 H THR 62 H THR 62 49.225 16.865 -24.814 455 HA THR 62 HA THR 62 50.342 18.547 -22.730 456 HB THR 62 HB THR 62 49.440 17.015 -20.926 457 HG1 THR 62 HG1 THR 62 47.693 16.291 -23.061 458 HG21 THR 62 HG21 THR 62 47.515 18.320 -20.587 459 HG22 THR 62 HG22 THR 62 47.237 18.517 -22.317 460 HG23 THR 62 HG23 THR 62 48.582 19.351 -21.539 461 H THR 63 H THR 63 51.953 17.476 -21.458 462 HA THR 63 HA THR 63 53.077 15.128 -22.826 463 HB THR 63 HB THR 63 54.505 17.157 -22.768 464 HG1 THR 63 HG1 THR 63 56.353 16.002 -21.816 465 HG21 THR 63 HG21 THR 63 53.713 17.976 -20.552 466 HG22 THR 63 HG22 THR 63 55.470 17.931 -20.700 467 HG23 THR 63 HG23 THR 63 54.630 16.676 -19.790 468 H LEU 64 H LEU 64 54.293 13.591 -21.441 469 HA LEU 64 HA LEU 64 52.681 12.475 -19.470 470 HB2 LEU 64 HB2 LEU 64 54.758 11.573 -20.831 471 HB3 LEU 64 HB3 LEU 64 55.620 12.028 -19.364 472 HG LEU 64 HG LEU 64 53.221 10.375 -18.942 473 HD11 LEU 64 HD11 LEU 64 55.304 9.576 -20.829 474 HD12 LEU 64 HD12 LEU 64 53.699 8.900 -20.553 475 HD13 LEU 64 HD13 LEU 64 55.046 8.426 -19.517 476 HD21 LEU 64 HD21 LEU 64 55.945 10.738 -17.828 477 HD22 LEU 64 HD22 LEU 64 55.191 9.155 -17.636 478 HD23 LEU 64 HD23 LEU 64 54.391 10.596 -17.005 Start of MODEL 18 1 H1 ALA 1 H ALA 1 3.341 -7.448 -4.284 2 HA ALA 1 HA ALA 1 6.042 -6.888 -3.732 3 HB1 ALA 1 HB1 ALA 1 5.774 -8.764 -5.894 4 HB2 ALA 1 HB2 ALA 1 6.281 -9.040 -4.227 5 HB3 ALA 1 HB3 ALA 1 4.569 -9.082 -4.646 6 H LYS 2 H LYS 2 4.086 -6.452 -6.631 7 HA LYS 2 HA LYS 2 6.296 -5.675 -8.283 8 HB2 LYS 2 HB2 LYS 2 3.343 -5.214 -8.735 9 HB3 LYS 2 HB3 LYS 2 4.613 -5.130 -9.949 10 HG2 LYS 2 HG2 LYS 2 3.842 -7.613 -8.429 11 HG3 LYS 2 HG3 LYS 2 3.308 -7.211 -10.063 12 HD2 LYS 2 HD2 LYS 2 6.215 -7.402 -9.312 13 HD3 LYS 2 HD3 LYS 2 5.285 -8.796 -9.864 14 HE2 LYS 2 HE2 LYS 2 5.182 -6.317 -11.497 15 HE3 LYS 2 HE3 LYS 2 6.667 -7.265 -11.535 16 HZ1 LYS 2 HZ1 LYS 2 3.964 -8.360 -12.090 17 HZ2 LYS 2 HZ2 LYS 2 5.437 -9.176 -12.253 18 HZ3 LYS 2 HZ3 LYS 2 5.066 -7.885 -13.281 19 H ALA 3 H ALA 3 4.265 -4.093 -6.014 20 HA ALA 3 HA ALA 3 4.763 -1.436 -7.075 21 HB1 ALA 3 HB1 ALA 3 2.823 -2.595 -5.372 22 HB2 ALA 3 HB2 ALA 3 3.659 -1.342 -4.454 23 HB3 ALA 3 HB3 ALA 3 2.892 -0.945 -5.991 24 H CYS 4 H CYS 4 6.878 -3.342 -5.917 25 HA CYS 4 HA CYS 4 7.857 -2.161 -3.535 26 HB2 CYS 4 HB2 CYS 4 9.926 -3.410 -4.012 27 HB3 CYS 4 HB3 CYS 4 8.496 -4.422 -4.196 28 H THR 5 H THR 5 10.478 -1.592 -3.888 29 HA THR 5 HA THR 5 10.382 0.849 -5.532 30 HB THR 5 HB THR 5 12.203 0.276 -3.186 31 HG1 THR 5 HG1 THR 5 10.329 0.620 -2.191 32 HG21 THR 5 HG21 THR 5 12.906 1.939 -5.011 33 HG22 THR 5 HG22 THR 5 12.919 2.505 -3.341 34 HG23 THR 5 HG23 THR 5 11.591 2.950 -4.413 35 HA PRO 6 HA PRO 6 13.389 -1.778 -7.788 36 HB2 PRO 6 HB2 PRO 6 12.828 -0.695 -10.213 37 HB3 PRO 6 HB3 PRO 6 11.876 -2.004 -9.502 38 HG2 PRO 6 HG2 PRO 6 11.306 0.933 -9.561 39 HG3 PRO 6 HG3 PRO 6 10.203 -0.426 -9.841 40 HD2 PRO 6 HD2 PRO 6 10.306 0.905 -7.486 41 HD3 PRO 6 HD3 PRO 6 9.921 -0.824 -7.588 42 H LEU 7 H LEU 7 14.795 -0.772 -9.822 43 HA LEU 7 HA LEU 7 16.590 1.025 -8.574 44 HB2 LEU 7 HB2 LEU 7 16.932 -0.748 -10.473 45 HB3 LEU 7 HB3 LEU 7 16.570 0.615 -11.529 46 HG LEU 7 HG LEU 7 18.489 1.700 -9.960 47 HD11 LEU 7 HD11 LEU 7 18.640 -1.118 -9.508 48 HD12 LEU 7 HD12 LEU 7 19.641 0.173 -8.842 49 HD13 LEU 7 HD13 LEU 7 20.080 -0.582 -10.374 50 HD21 LEU 7 HD21 LEU 7 20.039 0.788 -11.901 51 HD22 LEU 7 HD22 LEU 7 18.800 2.010 -12.197 52 HD23 LEU 7 HD23 LEU 7 18.484 0.319 -12.590 53 H LEU 8 H LEU 8 17.271 3.122 -9.433 54 HA LEU 8 HA LEU 8 16.831 5.302 -9.904 55 HB2 LEU 8 HB2 LEU 8 14.894 4.235 -11.943 56 HB3 LEU 8 HB3 LEU 8 15.743 5.779 -11.969 57 HG LEU 8 HG LEU 8 16.953 3.047 -12.379 58 HD11 LEU 8 HD11 LEU 8 17.476 3.984 -14.622 59 HD12 LEU 8 HD12 LEU 8 16.471 5.377 -14.225 60 HD13 LEU 8 HD13 LEU 8 15.752 3.770 -14.318 61 HD21 LEU 8 HD21 LEU 8 18.615 4.257 -11.261 62 HD22 LEU 8 HD22 LEU 8 18.191 5.764 -12.074 63 HD23 LEU 8 HD23 LEU 8 18.991 4.472 -12.971 64 H HIS 9 H HIS 9 15.197 3.958 -7.895 65 HA HIS 9 HA HIS 9 12.914 5.808 -7.927 66 HB2 HIS 9 HB2 HIS 9 12.843 2.905 -7.861 67 HB3 HIS 9 HB3 HIS 9 12.044 3.604 -6.455 68 HD1 HIS 9 HD1 HIS 9 10.140 5.458 -7.085 69 HD2 HIS 9 HD2 HIS 9 11.305 2.841 -10.096 70 HE1 HIS 9 HE1 HIS 9 8.312 5.560 -8.809 71 H ASP 10 H ASP 10 12.416 6.765 -5.995 72 HA ASP 10 HA ASP 10 14.443 6.972 -4.055 73 HB2 ASP 10 HB2 ASP 10 11.548 7.702 -3.612 74 HB3 ASP 10 HB3 ASP 10 12.974 8.428 -2.875 75 H CYS 11 H CYS 11 14.714 6.079 -2.057 76 HA CYS 11 HA CYS 11 12.736 4.111 -1.145 77 HB2 CYS 11 HB2 CYS 11 14.413 2.453 -0.712 78 HB3 CYS 11 HB3 CYS 11 14.598 2.969 -2.384 79 H SER 12 H SER 12 13.432 6.840 -0.303 80 HA SER 12 HA SER 12 15.009 6.878 2.006 81 HB2 SER 12 HB2 SER 12 14.327 8.943 0.942 82 HB3 SER 12 HB3 SER 12 12.628 8.587 1.249 83 HG SER 12 HG SER 12 14.621 9.447 3.009 84 H HIS 13 H HIS 13 11.774 5.752 1.470 85 HA HIS 13 HA HIS 13 10.805 5.830 4.109 86 HB2 HIS 13 HB2 HIS 13 9.628 5.268 1.809 87 HB3 HIS 13 HB3 HIS 13 10.006 3.612 2.272 88 HD1 HIS 13 HD1 HIS 13 8.070 2.551 3.357 89 HD2 HIS 13 HD2 HIS 13 8.314 6.595 4.278 90 HE1 HIS 13 HE1 HIS 13 6.127 3.011 4.886 91 H ASP 14 H ASP 14 12.775 3.484 2.388 92 HA ASP 14 HA ASP 14 13.745 2.373 4.834 93 HB2 ASP 14 HB2 ASP 14 11.476 1.106 3.549 94 HB3 ASP 14 HB3 ASP 14 12.858 0.017 3.618 95 H ARG 15 H ARG 15 15.808 1.920 4.471 96 HA ARG 15 HA ARG 15 16.955 1.967 1.896 97 HB2 ARG 15 HB2 ARG 15 19.036 1.466 2.977 98 HB3 ARG 15 HB3 ARG 15 18.133 2.552 4.023 99 HG2 ARG 15 HG2 ARG 15 17.376 0.511 5.293 100 HG3 ARG 15 HG3 ARG 15 18.565 -0.399 4.360 101 HD2 ARG 15 HD2 ARG 15 19.410 0.325 6.569 102 HD3 ARG 15 HD3 ARG 15 20.354 0.961 5.223 103 HE ARG 15 HE ARG 15 18.342 2.800 5.992 104 HH11 ARG 15 HH11 ARG 15 21.429 1.530 6.977 105 HH12 ARG 15 HH12 ARG 15 21.890 2.960 7.839 106 HH21 ARG 15 HH21 ARG 15 18.936 4.690 7.124 107 HH22 ARG 15 HH22 ARG 15 20.470 4.757 7.923 108 H HIS 16 H HIS 16 15.417 -0.519 3.641 109 HA HIS 16 HA HIS 16 16.641 -2.589 1.946 110 HB2 HIS 16 HB2 HIS 16 15.716 -4.208 3.573 111 HB3 HIS 16 HB3 HIS 16 16.819 -3.061 4.325 112 HD1 HIS 16 HD1 HIS 16 13.123 -3.787 4.024 113 HD2 HIS 16 HD2 HIS 16 15.750 -1.595 6.382 114 HE1 HIS 16 HE1 HIS 16 11.747 -2.932 5.948 115 H SER 17 H SER 17 14.122 -0.583 1.840 116 HA SER 17 HA SER 17 11.956 -2.365 1.279 117 HB2 SER 17 HB2 SER 17 11.291 -0.226 2.006 118 HB3 SER 17 HB3 SER 17 12.390 0.590 0.896 119 HG SER 17 HG SER 17 10.014 -0.817 0.253 120 H CYS 18 H CYS 18 14.591 -1.079 -0.526 121 HA CYS 18 HA CYS 18 13.653 -1.050 -3.120 122 HB2 CYS 18 HB2 CYS 18 16.340 -1.792 -1.980 123 HB3 CYS 18 HB3 CYS 18 16.047 -1.782 -3.715 124 H CYS 19 H CYS 19 13.312 -2.543 -4.713 125 HA CYS 19 HA CYS 19 12.356 -5.051 -4.087 126 HB2 CYS 19 HB2 CYS 19 13.605 -4.222 -6.715 127 HB3 CYS 19 HB3 CYS 19 12.484 -5.557 -6.474 128 H ARG 20 H ARG 20 13.248 -7.167 -4.986 129 HA ARG 20 HA ARG 20 16.153 -7.348 -4.585 130 HB2 ARG 20 HB2 ARG 20 15.842 -9.409 -3.280 131 HB3 ARG 20 HB3 ARG 20 15.097 -8.021 -2.496 132 HG2 ARG 20 HG2 ARG 20 12.938 -8.747 -2.992 133 HG3 ARG 20 HG3 ARG 20 13.502 -9.858 -4.242 134 HD2 ARG 20 HD2 ARG 20 14.090 -10.151 -1.300 135 HD3 ARG 20 HD3 ARG 20 12.783 -10.983 -2.143 136 HE ARG 20 HE ARG 20 15.077 -11.578 -3.544 137 HH11 ARG 20 HH11 ARG 20 13.918 -12.007 -0.289 138 HH12 ARG 20 HH12 ARG 20 14.826 -13.458 -0.018 139 HH21 ARG 20 HH21 ARG 20 16.277 -13.486 -3.199 140 HH22 ARG 20 HH22 ARG 20 16.168 -14.297 -1.673 141 H GLY 21 H GLY 21 16.940 -9.624 -5.240 142 HA2 GLY 21 HA2 GLY 21 15.356 -10.777 -7.412 143 HA3 GLY 21 HA3 GLY 21 16.921 -10.096 -7.833 144 H ASP 22 H ASP 22 17.112 -12.430 -8.570 145 HA ASP 22 HA ASP 22 17.796 -14.245 -6.375 146 HB2 ASP 22 HB2 ASP 22 16.310 -14.933 -8.347 147 HB3 ASP 22 HB3 ASP 22 17.786 -14.931 -9.309 148 H MET 23 H MET 23 19.225 -12.319 -8.864 149 HA MET 23 HA MET 23 21.800 -13.660 -8.656 150 HB2 MET 23 HB2 MET 23 21.087 -11.181 -10.229 151 HB3 MET 23 HB3 MET 23 22.529 -12.171 -10.414 152 HG2 MET 23 HG2 MET 23 21.190 -14.023 -11.212 153 HG3 MET 23 HG3 MET 23 19.716 -13.090 -10.959 154 HE1 MET 23 HE1 MET 23 18.820 -11.375 -12.296 155 HE2 MET 23 HE2 MET 23 19.207 -11.120 -13.998 156 HE3 MET 23 HE3 MET 23 18.626 -12.694 -13.450 157 H PHE 24 H PHE 24 20.871 -10.219 -8.528 158 HA PHE 24 HA PHE 24 22.510 -9.921 -6.114 159 HB2 PHE 24 HB2 PHE 24 22.794 -8.401 -8.693 160 HB3 PHE 24 HB3 PHE 24 23.265 -7.672 -7.161 161 HD1 PHE 24 HD2 PHE 24 25.028 -8.796 -5.773 162 HD2 PHE 24 HD1 PHE 24 24.186 -9.936 -9.787 163 HE1 PHE 24 HE2 PHE 24 27.214 -9.919 -5.909 164 HE2 PHE 24 HE1 PHE 24 26.369 -11.062 -9.929 165 HZ PHE 24 HZ PHE 24 27.886 -11.055 -7.989 166 H LYS 25 H LYS 25 21.943 -8.165 -4.774 167 HA LYS 25 HA LYS 25 19.191 -7.242 -5.190 168 HB2 LYS 25 HB2 LYS 25 19.505 -8.357 -3.092 169 HB3 LYS 25 HB3 LYS 25 20.931 -7.396 -2.727 170 HG2 LYS 25 HG2 LYS 25 19.611 -5.427 -2.421 171 HG3 LYS 25 HG3 LYS 25 18.162 -6.250 -3.002 172 HD2 LYS 25 HD2 LYS 25 17.861 -6.368 -0.722 173 HD3 LYS 25 HD3 LYS 25 18.673 -7.903 -1.038 174 HE2 LYS 25 HE2 LYS 25 20.303 -5.488 -0.393 175 HE3 LYS 25 HE3 LYS 25 19.472 -6.337 0.909 176 HZ1 LYS 25 HZ1 LYS 25 21.101 -7.813 0.920 177 HZ2 LYS 25 HZ2 LYS 25 21.876 -7.024 -0.359 178 HZ3 LYS 25 HZ3 LYS 25 20.750 -8.245 -0.677 179 H TYR 26 H TYR 26 18.642 -5.107 -5.261 180 HA TYR 26 HA TYR 26 20.599 -3.253 -6.108 181 HB2 TYR 26 HB2 TYR 26 17.822 -2.600 -5.113 182 HB3 TYR 26 HB3 TYR 26 18.811 -1.653 -6.219 183 HD1 TYR 26 HD2 TYR 26 19.769 -3.717 -8.086 184 HD2 TYR 26 HD1 TYR 26 15.927 -3.173 -6.340 185 HE1 TYR 26 HE2 TYR 26 18.743 -4.871 -10.000 186 HE2 TYR 26 HE1 TYR 26 14.890 -4.327 -8.248 187 HH TYR 26 HH TYR 26 16.735 -5.211 -11.084 188 H VAL 27 H VAL 27 21.366 -1.367 -5.101 189 HA VAL 27 HA VAL 27 21.238 -1.429 -2.156 190 HB VAL 27 HB VAL 27 23.459 -0.194 -2.285 191 HG11 VAL 27 HG11 VAL 27 24.640 -2.170 -2.139 192 HG12 VAL 27 HG12 VAL 27 22.987 -2.722 -1.857 193 HG13 VAL 27 HG13 VAL 27 23.731 -2.934 -3.443 194 HG21 VAL 27 HG21 VAL 27 23.293 0.426 -4.660 195 HG22 VAL 27 HG22 VAL 27 24.774 -0.466 -4.307 196 HG23 VAL 27 HG23 VAL 27 23.424 -1.277 -5.101 197 H CYS 28 H CYS 28 20.486 0.318 -1.140 198 HA CYS 28 HA CYS 28 19.456 2.522 -2.644 199 HB2 CYS 28 HB2 CYS 28 19.502 1.744 0.243 200 HB3 CYS 28 HB3 CYS 28 19.105 3.406 -0.182 201 H ASP 29 H ASP 29 20.870 3.910 -3.514 202 HA ASP 29 HA ASP 29 23.154 4.813 -1.912 203 HB2 ASP 29 HB2 ASP 29 22.823 4.206 -4.665 204 HB3 ASP 29 HB3 ASP 29 23.155 5.931 -4.547 205 H CYS 30 H CYS 30 23.514 6.962 -1.440 206 HA CYS 30 HA CYS 30 21.224 8.757 -1.908 207 HB2 CYS 30 HB2 CYS 30 23.188 8.710 0.392 208 HB3 CYS 30 HB3 CYS 30 21.932 9.923 0.169 209 H PHE 31 H PHE 31 21.572 10.783 -2.695 210 HA PHE 31 HA PHE 31 24.305 11.747 -3.017 211 HB2 PHE 31 HB2 PHE 31 23.929 12.230 -5.428 212 HB3 PHE 31 HB3 PHE 31 23.956 10.506 -5.067 213 HD1 PHE 31 HD2 PHE 31 21.909 9.185 -5.156 214 HD2 PHE 31 HD1 PHE 31 21.933 13.314 -6.186 215 HE1 PHE 31 HE2 PHE 31 19.718 8.923 -6.245 216 HE2 PHE 31 HE1 PHE 31 19.742 13.059 -7.276 217 HZ PHE 31 HZ PHE 31 18.632 10.860 -7.308 218 H TYR 32 H TYR 32 23.965 13.932 -4.515 219 HA TYR 32 HA TYR 32 21.906 15.469 -3.072 220 HB2 TYR 32 HB2 TYR 32 24.543 16.501 -4.133 221 HB3 TYR 32 HB3 TYR 32 23.375 17.396 -3.166 222 HD1 TYR 32 HD2 TYR 32 25.783 14.585 -3.089 223 HD2 TYR 32 HD1 TYR 32 23.384 17.255 -0.804 224 HE1 TYR 32 HE2 TYR 32 26.926 13.849 -1.039 225 HE2 TYR 32 HE1 TYR 32 24.520 16.527 1.252 226 HH TYR 32 HH TYR 32 26.801 15.498 1.828 227 HA PRO 33 HA PRO 33 20.109 16.615 -6.913 228 HB2 PRO 33 HB2 PRO 33 19.110 19.060 -6.280 229 HB3 PRO 33 HB3 PRO 33 18.406 17.551 -5.685 230 HG2 PRO 33 HG2 PRO 33 20.267 19.447 -4.305 231 HG3 PRO 33 HG3 PRO 33 18.833 18.624 -3.666 232 HD2 PRO 33 HD2 PRO 33 21.350 17.755 -3.176 233 HD3 PRO 33 HD3 PRO 33 19.968 16.649 -3.314 234 H GLU 34 H GLU 34 22.809 18.161 -5.648 235 HA GLU 34 HA GLU 34 24.457 19.424 -6.581 236 HB2 GLU 34 HB2 GLU 34 23.795 17.871 -8.582 237 HB3 GLU 34 HB3 GLU 34 23.092 19.338 -9.246 238 HG2 GLU 34 HG2 GLU 34 25.228 20.445 -9.190 239 HG3 GLU 34 HG3 GLU 34 25.961 19.058 -8.384 240 H GLY 35 H GLY 35 21.851 20.553 -5.632 241 HA2 GLY 35 HA2 GLY 35 22.367 23.270 -6.478 242 HA3 GLY 35 HA3 GLY 35 20.808 22.642 -6.994 243 H GLU 36 H GLU 36 19.815 21.291 -4.956 244 HA GLU 36 HA GLU 36 19.581 23.328 -2.860 245 HB2 GLU 36 HB2 GLU 36 17.775 21.086 -3.749 246 HB3 GLU 36 HB3 GLU 36 17.520 21.945 -2.236 247 HG2 GLU 36 HG2 GLU 36 17.637 23.277 -4.929 248 HG3 GLU 36 HG3 GLU 36 16.148 22.768 -4.135 249 H ASP 37 H ASP 37 21.195 22.915 -1.428 250 HA ASP 37 HA ASP 37 21.742 20.213 -0.542 251 HB2 ASP 37 HB2 ASP 37 22.899 22.835 0.425 252 HB3 ASP 37 HB3 ASP 37 23.511 21.228 0.804 253 H LYS 38 H LYS 38 19.207 20.548 0.069 254 HA LYS 38 HA LYS 38 19.140 21.263 2.927 255 HB2 LYS 38 HB2 LYS 38 17.629 22.481 1.216 256 HB3 LYS 38 HB3 LYS 38 16.701 20.988 1.191 257 HG2 LYS 38 HG2 LYS 38 15.549 22.008 2.829 258 HG3 LYS 38 HG3 LYS 38 16.852 21.380 3.842 259 HD2 LYS 38 HD2 LYS 38 16.916 24.104 2.556 260 HD3 LYS 38 HD3 LYS 38 16.291 23.812 4.181 261 HE2 LYS 38 HE2 LYS 38 19.087 23.244 3.204 262 HE3 LYS 38 HE3 LYS 38 18.602 24.555 4.278 263 HZ1 LYS 38 HZ1 LYS 38 19.429 22.915 5.685 264 HZ2 LYS 38 HZ2 LYS 38 18.681 21.655 4.841 265 HZ3 LYS 38 HZ3 LYS 38 17.753 22.708 5.786 266 H THR 39 H THR 39 18.454 18.806 0.549 267 HA THR 39 HA THR 39 18.175 16.845 2.691 268 HB THR 39 HB THR 39 15.868 17.370 2.249 269 HG1 THR 39 HG1 THR 39 15.286 15.241 1.193 270 HG21 THR 39 HG21 THR 39 16.354 16.705 -0.653 271 HG22 THR 39 HG22 THR 39 16.280 18.351 -0.024 272 HG23 THR 39 HG23 THR 39 14.865 17.303 0.077 273 H GLU 40 H GLU 40 18.760 14.746 2.107 274 HA GLU 40 HA GLU 40 20.339 14.591 -0.345 275 HB2 GLU 40 HB2 GLU 40 20.229 12.915 2.155 276 HB3 GLU 40 HB3 GLU 40 21.094 12.385 0.719 277 HG2 GLU 40 HG2 GLU 40 21.826 15.080 1.405 278 HG3 GLU 40 HG3 GLU 40 22.051 13.997 2.779 279 H VAL 41 H VAL 41 19.756 13.432 -2.068 280 HA VAL 41 HA VAL 41 17.201 12.069 -2.040 281 HB VAL 41 HB VAL 41 19.097 12.284 -4.374 282 HG11 VAL 41 HG11 VAL 41 16.165 11.718 -4.061 283 HG12 VAL 41 HG12 VAL 41 16.847 12.271 -5.593 284 HG13 VAL 41 HG13 VAL 41 17.396 10.755 -4.878 285 HG21 VAL 41 HG21 VAL 41 18.826 14.525 -3.696 286 HG22 VAL 41 HG22 VAL 41 17.659 14.285 -4.997 287 HG23 VAL 41 HG23 VAL 41 17.119 14.288 -3.319 288 H CYS 42 H CYS 42 17.036 10.003 -1.505 289 HA CYS 42 HA CYS 42 19.320 8.218 -2.027 290 HB2 CYS 42 HB2 CYS 42 17.109 7.996 0.026 291 HB3 CYS 42 HB3 CYS 42 18.343 6.770 -0.248 292 H SER 43 H SER 43 19.048 6.983 -3.754 293 HA SER 43 HA SER 43 16.380 5.844 -4.262 294 HB2 SER 43 HB2 SER 43 16.785 6.054 -6.681 295 HB3 SER 43 HB3 SER 43 16.816 7.631 -5.892 296 HG SER 43 HG SER 43 18.587 6.970 -7.460 297 H CYS 44 H CYS 44 16.498 3.900 -5.726 298 HA CYS 44 HA CYS 44 18.482 2.091 -4.676 299 HB2 CYS 44 HB2 CYS 44 16.287 1.586 -6.695 300 HB3 CYS 44 HB3 CYS 44 17.227 0.356 -5.858 301 H GLN 45 H GLN 45 20.390 1.726 -5.574 302 HA GLN 45 HA GLN 45 20.668 2.077 -8.486 303 HB2 GLN 45 HB2 GLN 45 22.842 2.628 -6.469 304 HB3 GLN 45 HB3 GLN 45 22.862 2.988 -8.190 305 HG2 GLN 45 HG2 GLN 45 20.935 4.244 -6.255 306 HG3 GLN 45 HG3 GLN 45 22.494 4.949 -6.680 307 HE21 GLN 45 HE21 GLN 45 22.693 4.569 -9.318 308 HE22 GLN 45 HE22 GLN 45 21.420 5.378 -10.160 309 H GLN 46 H GLN 46 22.115 0.682 -9.558 310 HA GLN 46 HA GLN 46 22.557 -1.839 -8.132 311 HB2 GLN 46 HB2 GLN 46 22.911 -2.752 -10.463 312 HB3 GLN 46 HB3 GLN 46 21.289 -2.168 -10.111 313 HG2 GLN 46 HG2 GLN 46 21.783 -0.083 -11.279 314 HG3 GLN 46 HG3 GLN 46 23.410 -0.664 -11.628 315 HE21 GLN 46 HE21 GLN 46 20.010 -1.566 -12.041 316 HE22 GLN 46 HE22 GLN 46 20.208 -2.275 -13.603 317 HA PRO 47 HA PRO 47 26.926 -1.451 -8.084 318 HB2 PRO 47 HB2 PRO 47 27.702 -4.024 -8.473 319 HB3 PRO 47 HB3 PRO 47 26.978 -3.457 -6.964 320 HG2 PRO 47 HG2 PRO 47 25.703 -4.914 -9.246 321 HG3 PRO 47 HG3 PRO 47 25.502 -5.170 -7.504 322 HD2 PRO 47 HD2 PRO 47 23.697 -3.806 -8.993 323 HD3 PRO 47 HD3 PRO 47 24.017 -3.421 -7.289 324 H LYS 48 H LYS 48 25.627 -0.968 -10.679 325 HA LYS 48 HA LYS 48 27.929 -1.605 -12.381 326 HB2 LYS 48 HB2 LYS 48 25.181 -2.520 -12.746 327 HB3 LYS 48 HB3 LYS 48 25.793 -1.648 -14.145 328 HG2 LYS 48 HG2 LYS 48 27.798 -3.463 -13.253 329 HG3 LYS 48 HG3 LYS 48 26.266 -4.327 -13.407 330 HD2 LYS 48 HD2 LYS 48 26.181 -4.049 -15.660 331 HD3 LYS 48 HD3 LYS 48 26.974 -2.473 -15.602 332 HE2 LYS 48 HE2 LYS 48 28.656 -3.686 -16.540 333 HE3 LYS 48 HE3 LYS 48 29.033 -3.962 -14.840 334 HZ1 LYS 48 HZ1 LYS 48 28.639 -5.891 -16.707 335 HZ2 LYS 48 HZ2 LYS 48 27.155 -5.856 -15.895 336 HZ3 LYS 48 HZ3 LYS 48 28.586 -6.121 -15.032 337 H SER 49 H SER 49 28.710 0.462 -12.368 338 HA SER 49 HA SER 49 26.997 2.731 -12.811 339 HB2 SER 49 HB2 SER 49 28.998 2.918 -11.391 340 HB3 SER 49 HB3 SER 49 30.020 2.543 -12.778 341 HG SER 49 HG SER 49 30.021 4.664 -12.912 342 H HIS 50 H HIS 50 26.272 1.473 -14.876 343 HA HIS 50 HA HIS 50 27.953 2.336 -17.136 344 HB2 HIS 50 HB2 HIS 50 26.848 -0.186 -16.578 345 HB3 HIS 50 HB3 HIS 50 25.875 0.475 -17.888 346 HD1 HIS 50 HD1 HIS 50 27.843 1.802 -19.672 347 HD2 HIS 50 HD2 HIS 50 28.688 -1.777 -17.740 348 HE1 HIS 50 HE1 HIS 50 29.676 0.728 -21.018 349 H LYS 51 H LYS 51 27.184 4.354 -17.543 350 HA LYS 51 HA LYS 51 24.581 5.269 -17.324 351 HB2 LYS 51 HB2 LYS 51 26.867 6.108 -19.090 352 HB3 LYS 51 HB3 LYS 51 25.315 6.932 -19.156 353 HG2 LYS 51 HG2 LYS 51 25.527 7.373 -16.711 354 HG3 LYS 51 HG3 LYS 51 27.161 6.710 -16.790 355 HD2 LYS 51 HD2 LYS 51 27.989 8.573 -17.722 356 HD3 LYS 51 HD3 LYS 51 26.622 8.734 -18.827 357 HE2 LYS 51 HE2 LYS 51 26.460 10.627 -17.484 358 HE3 LYS 51 HE3 LYS 51 25.312 9.508 -16.752 359 HZ1 LYS 51 HZ1 LYS 51 28.087 9.612 -15.775 360 HZ2 LYS 51 HZ2 LYS 51 26.684 9.136 -14.959 361 HZ3 LYS 51 HZ3 LYS 51 26.972 10.776 -15.262 362 H ILE 52 H ILE 52 26.071 4.778 -20.513 363 HA ILE 52 HA ILE 52 25.238 4.003 -22.482 364 HB ILE 52 HB ILE 52 23.246 2.431 -20.856 365 HG12 ILE 52 HG12 ILE 52 26.099 1.699 -21.552 366 HG13 ILE 52 HG13 ILE 52 25.505 2.091 -19.941 367 HG21 ILE 52 HG21 ILE 52 22.705 1.448 -22.774 368 HG22 ILE 52 HG22 ILE 52 23.681 2.659 -23.602 369 HG23 ILE 52 HG23 ILE 52 24.396 1.113 -23.143 370 HD11 ILE 52 HD11 ILE 52 25.725 -0.291 -20.182 371 HD12 ILE 52 HD12 ILE 52 24.018 0.133 -20.050 372 HD13 ILE 52 HD13 ILE 52 24.708 -0.273 -21.622 373 H ALA 53 H ALA 53 24.407 6.420 -22.190 374 HA ALA 53 HA ALA 53 21.973 6.589 -23.562 375 HB1 ALA 53 HB1 ALA 53 21.680 6.383 -20.719 376 HB2 ALA 53 HB2 ALA 53 21.126 7.966 -21.266 377 HB3 ALA 53 HB3 ALA 53 20.436 6.501 -21.964 378 H GLU 54 H GLU 54 23.421 8.544 -20.949 379 HA GLU 54 HA GLU 54 24.121 10.712 -20.899 380 HB2 GLU 54 HB2 GLU 54 25.791 9.481 -22.475 381 HB3 GLU 54 HB3 GLU 54 25.008 10.405 -23.748 382 HG2 GLU 54 HG2 GLU 54 25.595 12.233 -21.704 383 HG3 GLU 54 HG3 GLU 54 27.024 11.220 -21.892 384 H LYS 55 H LYS 55 21.581 10.898 -21.123 385 HA LYS 55 HA LYS 55 20.440 11.917 -23.467 386 HB2 LYS 55 HB2 LYS 55 18.667 12.800 -21.996 387 HB3 LYS 55 HB3 LYS 55 19.073 11.131 -21.621 388 HG2 LYS 55 HG2 LYS 55 19.173 11.818 -19.506 389 HG3 LYS 55 HG3 LYS 55 20.731 12.518 -19.949 390 HD2 LYS 55 HD2 LYS 55 18.979 14.452 -20.766 391 HD3 LYS 55 HD3 LYS 55 18.189 13.825 -19.318 392 HE2 LYS 55 HE2 LYS 55 21.096 14.585 -19.358 393 HE3 LYS 55 HE3 LYS 55 19.825 15.759 -19.017 394 HZ1 LYS 55 HZ1 LYS 55 20.911 14.603 -17.052 395 HZ2 LYS 55 HZ2 LYS 55 20.035 13.229 -17.505 396 HZ3 LYS 55 HZ3 LYS 55 19.221 14.648 -17.076 397 H ILE 56 H ILE 56 20.438 13.871 -24.409 398 HA ILE 56 HA ILE 56 21.302 16.217 -22.911 399 HB ILE 56 HB ILE 56 23.371 15.298 -23.896 400 HG12 ILE 56 HG12 ILE 56 22.625 17.802 -25.394 401 HG13 ILE 56 HG13 ILE 56 22.838 17.805 -23.646 402 HG21 ILE 56 HG21 ILE 56 21.794 14.638 -26.034 403 HG22 ILE 56 HG22 ILE 56 22.701 16.021 -26.643 404 HG23 ILE 56 HG23 ILE 56 23.556 14.611 -26.016 405 HD11 ILE 56 HD11 ILE 56 25.137 16.841 -24.067 406 HD12 ILE 56 HD12 ILE 56 24.881 17.239 -25.766 407 HD13 ILE 56 HD13 ILE 56 24.880 18.517 -24.552 408 H ILE 57 H ILE 57 20.363 18.081 -23.588 409 HA ILE 57 HA ILE 57 18.844 18.022 -26.106 410 HB ILE 57 HB ILE 57 17.017 19.281 -25.004 411 HG12 ILE 57 HG12 ILE 57 18.008 18.405 -22.331 412 HG13 ILE 57 HG13 ILE 57 18.711 19.856 -23.036 413 HG21 ILE 57 HG21 ILE 57 17.704 16.488 -24.556 414 HG22 ILE 57 HG22 ILE 57 16.568 17.119 -23.364 415 HG23 ILE 57 HG23 ILE 57 16.184 17.210 -25.083 416 HD11 ILE 57 HD11 ILE 57 15.848 19.351 -22.301 417 HD12 ILE 57 HD12 ILE 57 16.945 20.578 -21.668 418 HD13 ILE 57 HD13 ILE 57 16.348 20.697 -23.323 419 H ASP 58 H ASP 58 17.886 20.419 -26.380 420 HA ASP 58 HA ASP 58 19.929 22.390 -25.674 421 HB2 ASP 58 HB2 ASP 58 19.718 21.204 -28.249 422 HB3 ASP 58 HB3 ASP 58 19.156 22.868 -28.385 423 H LYS 59 H LYS 59 18.800 23.883 -24.620 424 HA LYS 59 HA LYS 59 16.036 24.335 -24.920 425 HB2 LYS 59 HB2 LYS 59 16.484 26.412 -23.581 426 HB3 LYS 59 HB3 LYS 59 17.085 24.927 -22.854 427 HG2 LYS 59 HG2 LYS 59 19.169 25.957 -24.444 428 HG3 LYS 59 HG3 LYS 59 18.504 27.306 -23.521 429 HD2 LYS 59 HD2 LYS 59 18.777 26.041 -21.455 430 HD3 LYS 59 HD3 LYS 59 19.401 24.664 -22.367 431 HE2 LYS 59 HE2 LYS 59 21.411 25.679 -22.785 432 HE3 LYS 59 HE3 LYS 59 20.730 27.304 -22.707 433 HZ1 LYS 59 HZ1 LYS 59 22.191 26.763 -20.818 434 HZ2 LYS 59 HZ2 LYS 59 21.125 25.534 -20.355 435 HZ3 LYS 59 HZ3 LYS 59 20.617 27.148 -20.331 436 H ALA 60 H ALA 60 15.073 26.477 -25.505 437 HA ALA 60 HA ALA 60 16.480 28.122 -27.394 438 HB1 ALA 60 HB1 ALA 60 15.412 27.559 -29.370 439 HB2 ALA 60 HB2 ALA 60 15.702 25.985 -28.631 440 HB3 ALA 60 HB3 ALA 60 14.102 26.718 -28.541 441 H LYS 61 H LYS 61 15.686 30.126 -27.305 442 HA LYS 61 HA LYS 61 13.109 30.526 -25.964 443 HB2 LYS 61 HB2 LYS 61 13.861 32.747 -25.445 444 HB3 LYS 61 HB3 LYS 61 15.150 31.624 -25.031 445 HG2 LYS 61 HG2 LYS 61 16.336 32.193 -27.067 446 HG3 LYS 61 HG3 LYS 61 15.024 33.270 -27.551 447 HD2 LYS 61 HD2 LYS 61 15.456 34.466 -25.318 448 HD3 LYS 61 HD3 LYS 61 16.983 33.582 -25.296 449 HE2 LYS 61 HE2 LYS 61 17.741 34.635 -27.256 450 HE3 LYS 61 HE3 LYS 61 16.128 35.219 -27.665 451 HZ1 LYS 61 HZ1 LYS 61 17.657 36.937 -26.759 452 HZ2 LYS 61 HZ2 LYS 61 17.644 36.120 -25.280 453 HZ3 LYS 61 HZ3 LYS 61 16.212 36.779 -25.893 454 H THR 62 H THR 62 11.449 31.650 -26.885 455 HA THR 62 HA THR 62 11.715 32.203 -29.757 456 HB THR 62 HB THR 62 9.088 32.359 -29.461 457 HG1 THR 62 HG1 THR 62 8.322 31.264 -27.744 458 HG21 THR 62 HG21 THR 62 10.830 30.488 -30.456 459 HG22 THR 62 HG22 THR 62 9.073 30.421 -30.597 460 HG23 THR 62 HG23 THR 62 9.887 29.549 -29.299 461 H THR 63 H THR 63 12.232 34.266 -30.126 462 HA THR 63 HA THR 63 11.246 36.378 -28.387 463 HB THR 63 HB THR 63 12.793 37.038 -30.838 464 HG1 THR 63 HG1 THR 63 14.737 36.384 -29.749 465 HG21 THR 63 HG21 THR 63 12.482 38.909 -29.535 466 HG22 THR 63 HG22 THR 63 14.029 38.338 -28.910 467 HG23 THR 63 HG23 THR 63 12.541 38.000 -28.026 468 H LEU 64 H LEU 64 10.444 38.418 -29.469 469 HA LEU 64 HA LEU 64 8.249 37.704 -31.224 470 HB2 LEU 64 HB2 LEU 64 8.296 39.330 -29.147 471 HB3 LEU 64 HB3 LEU 64 8.779 40.505 -30.368 472 HG LEU 64 HG LEU 64 6.394 40.630 -29.957 473 HD11 LEU 64 HD11 LEU 64 6.417 39.316 -32.601 474 HD12 LEU 64 HD12 LEU 64 7.563 40.635 -32.364 475 HD13 LEU 64 HD13 LEU 64 5.837 40.912 -32.128 476 HD21 LEU 64 HD21 LEU 64 5.447 38.244 -31.140 477 HD22 LEU 64 HD22 LEU 64 5.218 38.810 -29.485 478 HD23 LEU 64 HD23 LEU 64 6.600 37.788 -29.886 Start of MODEL 19 1 H1 ALA 1 H ALA 1 -0.923 -2.483 -1.419 2 HA ALA 1 HA ALA 1 -0.533 -3.485 -4.071 3 HB1 ALA 1 HB1 ALA 1 0.156 -1.109 -2.581 4 HB2 ALA 1 HB2 ALA 1 1.511 -1.673 -3.559 5 HB3 ALA 1 HB3 ALA 1 -0.043 -1.331 -4.320 6 H LYS 2 H LYS 2 0.985 -4.829 -4.824 7 HA LYS 2 HA LYS 2 2.965 -5.858 -2.918 8 HB2 LYS 2 HB2 LYS 2 3.135 -7.796 -4.379 9 HB3 LYS 2 HB3 LYS 2 1.453 -7.501 -3.961 10 HG2 LYS 2 HG2 LYS 2 1.426 -6.176 -6.210 11 HG3 LYS 2 HG3 LYS 2 2.846 -7.161 -6.573 12 HD2 LYS 2 HD2 LYS 2 1.107 -8.441 -7.421 13 HD3 LYS 2 HD3 LYS 2 1.361 -9.146 -5.822 14 HE2 LYS 2 HE2 LYS 2 -0.443 -7.398 -5.095 15 HE3 LYS 2 HE3 LYS 2 -0.863 -7.412 -6.807 16 HZ1 LYS 2 HZ1 LYS 2 -1.874 -9.108 -5.025 17 HZ2 LYS 2 HZ2 LYS 2 -0.555 -10.017 -5.568 18 HZ3 LYS 2 HZ3 LYS 2 -1.717 -9.471 -6.670 19 H ALA 3 H ALA 3 3.070 -3.350 -4.664 20 HA ALA 3 HA ALA 3 5.277 -3.900 -6.456 21 HB1 ALA 3 HB1 ALA 3 3.366 -2.178 -6.777 22 HB2 ALA 3 HB2 ALA 3 4.358 -1.145 -5.747 23 HB3 ALA 3 HB3 ALA 3 5.005 -1.753 -7.271 24 H CYS 4 H CYS 4 7.373 -3.707 -5.991 25 HA CYS 4 HA CYS 4 8.116 -2.712 -3.340 26 HB2 CYS 4 HB2 CYS 4 10.272 -3.845 -3.755 27 HB3 CYS 4 HB3 CYS 4 8.906 -4.946 -3.896 28 H THR 5 H THR 5 10.701 -1.996 -3.652 29 HA THR 5 HA THR 5 10.504 0.378 -5.381 30 HB THR 5 HB THR 5 12.302 -0.006 -2.982 31 HG1 THR 5 HG1 THR 5 9.696 1.016 -3.267 32 HG21 THR 5 HG21 THR 5 11.547 2.616 -4.216 33 HG22 THR 5 HG22 THR 5 12.864 1.661 -4.898 34 HG23 THR 5 HG23 THR 5 12.947 2.210 -3.225 35 HA PRO 6 HA PRO 6 13.713 -2.139 -7.477 36 HB2 PRO 6 HB2 PRO 6 13.147 -1.173 -9.950 37 HB3 PRO 6 HB3 PRO 6 12.259 -2.513 -9.215 38 HG2 PRO 6 HG2 PRO 6 11.516 0.382 -9.390 39 HG3 PRO 6 HG3 PRO 6 10.503 -1.049 -9.646 40 HD2 PRO 6 HD2 PRO 6 10.470 0.364 -7.337 41 HD3 PRO 6 HD3 PRO 6 10.191 -1.389 -7.388 42 H LEU 7 H LEU 7 15.096 -1.110 -9.526 43 HA LEU 7 HA LEU 7 16.755 0.829 -8.299 44 HB2 LEU 7 HB2 LEU 7 17.283 -0.975 -10.098 45 HB3 LEU 7 HB3 LEU 7 16.799 0.279 -11.239 46 HG LEU 7 HG LEU 7 18.629 1.557 -9.605 47 HD11 LEU 7 HD11 LEU 7 20.562 -0.228 -10.072 48 HD12 LEU 7 HD12 LEU 7 19.223 -1.334 -9.762 49 HD13 LEU 7 HD13 LEU 7 19.681 -0.142 -8.547 50 HD21 LEU 7 HD21 LEU 7 18.490 0.523 -12.351 51 HD22 LEU 7 HD22 LEU 7 20.121 0.811 -11.744 52 HD23 LEU 7 HD23 LEU 7 18.941 2.122 -11.757 53 H LEU 8 H LEU 8 17.248 2.963 -9.044 54 HA LEU 8 HA LEU 8 16.736 5.081 -9.693 55 HB2 LEU 8 HB2 LEU 8 14.780 3.886 -11.635 56 HB3 LEU 8 HB3 LEU 8 15.627 5.427 -11.752 57 HG LEU 8 HG LEU 8 17.058 2.782 -11.863 58 HD11 LEU 8 HD11 LEU 8 15.595 4.266 -13.991 59 HD12 LEU 8 HD12 LEU 8 15.751 2.529 -13.729 60 HD13 LEU 8 HD13 LEU 8 17.102 3.445 -14.396 61 HD21 LEU 8 HD21 LEU 8 18.648 4.314 -13.191 62 HD22 LEU 8 HD22 LEU 8 18.609 4.459 -11.434 63 HD23 LEU 8 HD23 LEU 8 17.759 5.637 -12.435 64 H HIS 9 H HIS 9 15.209 3.715 -7.604 65 HA HIS 9 HA HIS 9 12.867 5.486 -7.613 66 HB2 HIS 9 HB2 HIS 9 12.903 2.552 -7.419 67 HB3 HIS 9 HB3 HIS 9 11.962 3.348 -6.160 68 HD1 HIS 9 HD1 HIS 9 10.038 5.010 -7.076 69 HD2 HIS 9 HD2 HIS 9 11.633 2.328 -9.819 70 HE1 HIS 9 HE1 HIS 9 8.390 4.931 -8.974 71 H ASP 10 H ASP 10 12.421 6.472 -5.698 72 HA ASP 10 HA ASP 10 14.450 6.712 -3.780 73 HB2 ASP 10 HB2 ASP 10 11.544 7.358 -3.285 74 HB3 ASP 10 HB3 ASP 10 12.961 8.126 -2.573 75 H CYS 11 H CYS 11 14.743 5.866 -1.751 76 HA CYS 11 HA CYS 11 12.841 3.851 -0.800 77 HB2 CYS 11 HB2 CYS 11 14.576 2.219 -0.400 78 HB3 CYS 11 HB3 CYS 11 14.626 2.690 -2.095 79 H SER 12 H SER 12 13.575 6.586 0.015 80 HA SER 12 HA SER 12 15.218 6.581 2.292 81 HB2 SER 12 HB2 SER 12 13.710 8.639 2.895 82 HB3 SER 12 HB3 SER 12 14.777 8.717 1.493 83 HG SER 12 HG SER 12 12.723 9.424 0.913 84 H HIS 13 H HIS 13 11.970 5.518 1.799 85 HA HIS 13 HA HIS 13 10.951 5.703 4.397 86 HB2 HIS 13 HB2 HIS 13 10.356 3.542 2.365 87 HB3 HIS 13 HB3 HIS 13 9.337 4.018 3.720 88 HD1 HIS 13 HD1 HIS 13 8.818 6.834 3.530 89 HD2 HIS 13 HD2 HIS 13 9.411 4.598 0.079 90 HE1 HIS 13 HE1 HIS 13 7.769 8.170 1.676 91 H ASP 14 H ASP 14 12.927 3.218 2.855 92 HA ASP 14 HA ASP 14 13.944 2.333 5.372 93 HB2 ASP 14 HB2 ASP 14 11.718 0.858 4.109 94 HB3 ASP 14 HB3 ASP 14 13.089 -0.131 4.607 95 H ARG 15 H ARG 15 16.003 1.907 4.973 96 HA ARG 15 HA ARG 15 17.156 1.760 2.458 97 HB2 ARG 15 HB2 ARG 15 18.136 0.742 5.124 98 HB3 ARG 15 HB3 ARG 15 19.129 0.739 3.673 99 HG2 ARG 15 HG2 ARG 15 17.838 3.278 4.545 100 HG3 ARG 15 HG3 ARG 15 19.277 2.699 5.389 101 HD2 ARG 15 HD2 ARG 15 19.223 2.869 2.400 102 HD3 ARG 15 HD3 ARG 15 19.547 4.304 3.373 103 HE ARG 15 HE ARG 15 21.198 2.120 4.149 104 HH11 ARG 15 HH11 ARG 15 20.808 4.595 1.732 105 HH12 ARG 15 HH12 ARG 15 22.493 4.659 1.337 106 HH21 ARG 15 HH21 ARG 15 23.419 2.195 3.639 107 HH22 ARG 15 HH22 ARG 15 23.978 3.292 2.422 108 H HIS 16 H HIS 16 15.706 -0.742 4.390 109 HA HIS 16 HA HIS 16 16.653 -2.808 2.538 110 HB2 HIS 16 HB2 HIS 16 16.542 -2.879 5.234 111 HB3 HIS 16 HB3 HIS 16 14.965 -3.561 4.853 112 HD1 HIS 16 HD1 HIS 16 15.554 -5.925 5.604 113 HD2 HIS 16 HD2 HIS 16 18.097 -4.440 2.673 114 HE1 HIS 16 HE1 HIS 16 16.909 -7.896 4.829 115 H SER 17 H SER 17 14.643 -0.829 1.792 116 HA SER 17 HA SER 17 12.203 -2.443 1.619 117 HB2 SER 17 HB2 SER 17 11.014 -0.483 1.273 118 HB3 SER 17 HB3 SER 17 12.329 0.098 2.294 119 HG SER 17 HG SER 17 12.631 1.448 0.708 120 H CYS 18 H CYS 18 14.831 -1.220 -0.277 121 HA CYS 18 HA CYS 18 13.793 -1.276 -2.842 122 HB2 CYS 18 HB2 CYS 18 16.547 -1.911 -1.792 123 HB3 CYS 18 HB3 CYS 18 16.182 -1.915 -3.514 124 H CYS 19 H CYS 19 13.739 -2.848 -4.483 125 HA CYS 19 HA CYS 19 12.787 -5.365 -3.740 126 HB2 CYS 19 HB2 CYS 19 13.993 -4.569 -6.400 127 HB3 CYS 19 HB3 CYS 19 12.924 -5.939 -6.112 128 H ARG 20 H ARG 20 13.944 -7.323 -5.154 129 HA ARG 20 HA ARG 20 16.723 -7.453 -4.190 130 HB2 ARG 20 HB2 ARG 20 14.612 -9.609 -3.998 131 HB3 ARG 20 HB3 ARG 20 16.320 -9.860 -3.662 132 HG2 ARG 20 HG2 ARG 20 16.097 -8.031 -1.918 133 HG3 ARG 20 HG3 ARG 20 14.352 -8.183 -2.139 134 HD2 ARG 20 HD2 ARG 20 14.912 -9.560 -0.301 135 HD3 ARG 20 HD3 ARG 20 14.628 -10.644 -1.662 136 HE ARG 20 HE ARG 20 17.355 -10.055 -1.579 137 HH11 ARG 20 HH11 ARG 20 14.957 -11.709 0.327 138 HH12 ARG 20 HH12 ARG 20 16.086 -12.833 1.009 139 HH21 ARG 20 HH21 ARG 20 18.851 -11.528 -0.688 140 HH22 ARG 20 HH22 ARG 20 18.301 -12.728 0.432 141 H GLY 21 H GLY 21 14.658 -7.630 -6.789 142 HA2 GLY 21 HA2 GLY 21 14.917 -8.300 -8.969 143 HA3 GLY 21 HA3 GLY 21 16.643 -8.282 -8.645 144 H ASP 22 H ASP 22 15.847 -10.098 -10.399 145 HA ASP 22 HA ASP 22 15.093 -12.594 -9.223 146 HB2 ASP 22 HB2 ASP 22 14.673 -11.912 -11.621 147 HB3 ASP 22 HB3 ASP 22 16.390 -12.171 -11.919 148 H MET 23 H MET 23 18.143 -11.282 -10.495 149 HA MET 23 HA MET 23 19.562 -13.332 -8.926 150 HB2 MET 23 HB2 MET 23 19.919 -13.989 -11.156 151 HB3 MET 23 HB3 MET 23 20.104 -12.330 -11.710 152 HG2 MET 23 HG2 MET 23 22.284 -12.247 -11.170 153 HG3 MET 23 HG3 MET 23 22.075 -13.233 -9.724 154 HE1 MET 23 HE1 MET 23 21.798 -15.082 -13.870 155 HE2 MET 23 HE2 MET 23 21.158 -13.530 -13.329 156 HE3 MET 23 HE3 MET 23 22.846 -13.663 -13.823 157 H PHE 24 H PHE 24 19.535 -10.045 -10.173 158 HA PHE 24 HA PHE 24 21.817 -9.356 -8.466 159 HB2 PHE 24 HB2 PHE 24 20.438 -7.557 -10.460 160 HB3 PHE 24 HB3 PHE 24 22.035 -7.354 -9.746 161 HD1 PHE 24 HD2 PHE 24 23.924 -8.660 -10.523 162 HD2 PHE 24 HD1 PHE 24 20.072 -9.083 -12.284 163 HE1 PHE 24 HE2 PHE 24 24.931 -9.836 -12.436 164 HE2 PHE 24 HE1 PHE 24 21.073 -10.261 -14.199 165 HZ PHE 24 HZ PHE 24 23.506 -10.639 -14.276 166 H LYS 25 H LYS 25 21.572 -8.267 -6.624 167 HA LYS 25 HA LYS 25 18.886 -7.331 -5.920 168 HB2 LYS 25 HB2 LYS 25 19.577 -7.457 -3.627 169 HB3 LYS 25 HB3 LYS 25 20.066 -8.949 -4.422 170 HG2 LYS 25 HG2 LYS 25 22.304 -7.505 -4.753 171 HG3 LYS 25 HG3 LYS 25 21.703 -6.796 -3.253 172 HD2 LYS 25 HD2 LYS 25 22.941 -8.532 -2.414 173 HD3 LYS 25 HD3 LYS 25 21.373 -9.324 -2.586 174 HE2 LYS 25 HE2 LYS 25 22.868 -10.844 -3.528 175 HE3 LYS 25 HE3 LYS 25 22.199 -9.998 -4.922 176 HZ1 LYS 25 HZ1 LYS 25 24.385 -9.853 -5.427 177 HZ2 LYS 25 HZ2 LYS 25 24.896 -9.911 -3.816 178 HZ3 LYS 25 HZ3 LYS 25 24.287 -8.469 -4.458 179 H TYR 26 H TYR 26 18.419 -5.236 -5.634 180 HA TYR 26 HA TYR 26 20.417 -3.268 -6.305 181 HB2 TYR 26 HB2 TYR 26 17.595 -2.721 -5.394 182 HB3 TYR 26 HB3 TYR 26 18.632 -1.699 -6.382 183 HD1 TYR 26 HD2 TYR 26 19.625 -3.527 -8.418 184 HD2 TYR 26 HD1 TYR 26 15.747 -3.253 -6.690 185 HE1 TYR 26 HE2 TYR 26 18.654 -4.505 -10.455 186 HE2 TYR 26 HE1 TYR 26 14.765 -4.231 -8.722 187 HH TYR 26 HH TYR 26 15.571 -4.315 -11.298 188 H VAL 27 H VAL 27 21.180 -1.616 -4.995 189 HA VAL 27 HA VAL 27 20.742 -1.999 -2.104 190 HB VAL 27 HB VAL 27 23.050 -0.933 -1.871 191 HG11 VAL 27 HG11 VAL 27 23.170 -3.110 -1.267 192 HG12 VAL 27 HG12 VAL 27 22.387 -3.677 -2.744 193 HG13 VAL 27 HG13 VAL 27 24.095 -3.236 -2.763 194 HG21 VAL 27 HG21 VAL 27 23.195 -0.100 -4.182 195 HG22 VAL 27 HG22 VAL 27 24.558 -1.137 -3.762 196 HG23 VAL 27 HG23 VAL 27 23.250 -1.764 -4.765 197 H CYS 28 H CYS 28 20.214 -0.264 -0.889 198 HA CYS 28 HA CYS 28 19.299 2.095 -2.189 199 HB2 CYS 28 HB2 CYS 28 19.431 1.121 0.629 200 HB3 CYS 28 HB3 CYS 28 19.179 2.842 0.357 201 H ASP 29 H ASP 29 20.470 3.778 -2.799 202 HA ASP 29 HA ASP 29 22.922 4.411 -1.292 203 HB2 ASP 29 HB2 ASP 29 23.754 3.657 -3.342 204 HB3 ASP 29 HB3 ASP 29 22.420 4.361 -4.252 205 H CYS 30 H CYS 30 23.250 6.500 -0.710 206 HA CYS 30 HA CYS 30 21.133 8.416 -1.439 207 HB2 CYS 30 HB2 CYS 30 22.823 8.305 1.069 208 HB3 CYS 30 HB3 CYS 30 21.616 9.536 0.710 209 H PHE 31 H PHE 31 21.678 10.447 -2.122 210 HA PHE 31 HA PHE 31 24.484 11.241 -2.149 211 HB2 PHE 31 HB2 PHE 31 24.481 11.712 -4.546 212 HB3 PHE 31 HB3 PHE 31 24.159 10.005 -4.256 213 HD1 PHE 31 HD2 PHE 31 21.939 9.074 -4.645 214 HD2 PHE 31 HD1 PHE 31 22.820 13.150 -5.497 215 HE1 PHE 31 HE2 PHE 31 19.892 9.230 -6.002 216 HE2 PHE 31 HE1 PHE 31 20.774 13.312 -6.854 217 HZ PHE 31 HZ PHE 31 19.307 11.350 -7.109 218 H TYR 32 H TYR 32 24.380 13.452 -3.701 219 HA TYR 32 HA TYR 32 22.240 15.085 -2.500 220 HB2 TYR 32 HB2 TYR 32 25.020 16.115 -3.037 221 HB3 TYR 32 HB3 TYR 32 23.760 16.846 -2.051 222 HD1 TYR 32 HD2 TYR 32 26.263 14.146 -2.202 223 HD2 TYR 32 HD1 TYR 32 23.447 16.206 0.232 224 HE1 TYR 32 HE2 TYR 32 27.210 13.067 -0.204 225 HE2 TYR 32 HE1 TYR 32 24.386 15.133 2.238 226 HH TYR 32 HH TYR 32 26.518 14.093 2.941 227 HA PRO 33 HA PRO 33 21.314 16.384 -6.601 228 HB2 PRO 33 HB2 PRO 33 20.073 18.732 -6.042 229 HB3 PRO 33 HB3 PRO 33 19.328 17.158 -5.746 230 HG2 PRO 33 HG2 PRO 33 20.715 18.987 -3.825 231 HG3 PRO 33 HG3 PRO 33 19.214 18.067 -3.608 232 HD2 PRO 33 HD2 PRO 33 21.588 17.239 -2.603 233 HD3 PRO 33 HD3 PRO 33 20.335 16.106 -3.147 234 H GLU 34 H GLU 34 23.594 17.857 -4.648 235 HA GLU 34 HA GLU 34 25.377 19.201 -5.101 236 HB2 GLU 34 HB2 GLU 34 25.121 17.938 -7.384 237 HB3 GLU 34 HB3 GLU 34 24.529 19.490 -7.959 238 HG2 GLU 34 HG2 GLU 34 26.617 20.546 -7.250 239 HG3 GLU 34 HG3 GLU 34 27.211 18.984 -6.690 240 H GLY 35 H GLY 35 22.755 20.241 -4.345 241 HA2 GLY 35 HA2 GLY 35 23.189 23.018 -5.212 242 HA3 GLY 35 HA3 GLY 35 21.576 22.328 -5.323 243 H GLU 36 H GLU 36 21.914 24.581 -3.859 244 HA GLU 36 HA GLU 36 22.087 23.731 -1.058 245 HB2 GLU 36 HB2 GLU 36 22.246 26.078 -0.502 246 HB3 GLU 36 HB3 GLU 36 23.406 25.705 -1.768 247 HG2 GLU 36 HG2 GLU 36 21.802 26.602 -3.431 248 HG3 GLU 36 HG3 GLU 36 20.756 27.089 -2.099 249 H ASP 37 H ASP 37 19.833 24.586 -3.486 250 HA ASP 37 HA ASP 37 17.726 25.200 -1.559 251 HB2 ASP 37 HB2 ASP 37 18.155 26.402 -3.851 252 HB3 ASP 37 HB3 ASP 37 17.272 25.031 -4.516 253 H LYS 38 H LYS 38 19.021 22.485 -2.074 254 HA LYS 38 HA LYS 38 16.497 21.008 -2.209 255 HB2 LYS 38 HB2 LYS 38 18.968 20.337 -3.815 256 HB3 LYS 38 HB3 LYS 38 17.587 19.265 -3.623 257 HG2 LYS 38 HG2 LYS 38 17.012 20.206 -5.596 258 HG3 LYS 38 HG3 LYS 38 16.301 21.413 -4.524 259 HD2 LYS 38 HD2 LYS 38 17.902 22.974 -4.996 260 HD3 LYS 38 HD3 LYS 38 19.144 21.760 -5.318 261 HE2 LYS 38 HE2 LYS 38 18.497 21.479 -7.494 262 HE3 LYS 38 HE3 LYS 38 16.819 21.911 -7.165 263 HZ1 LYS 38 HZ1 LYS 38 18.080 23.575 -8.489 264 HZ2 LYS 38 HZ2 LYS 38 19.050 23.865 -7.135 265 HZ3 LYS 38 HZ3 LYS 38 17.393 24.200 -7.074 266 H THR 39 H THR 39 17.018 18.578 -1.679 267 HA THR 39 HA THR 39 18.980 18.517 0.520 268 HB THR 39 HB THR 39 17.147 16.673 1.324 269 HG1 THR 39 HG1 THR 39 15.737 18.803 0.059 270 HG21 THR 39 HG21 THR 39 16.560 19.446 2.165 271 HG22 THR 39 HG22 THR 39 18.229 18.908 2.355 272 HG23 THR 39 HG23 THR 39 16.922 18.019 3.136 273 H GLU 40 H GLU 40 19.370 16.145 1.221 274 HA GLU 40 HA GLU 40 20.612 14.792 -0.870 275 HB2 GLU 40 HB2 GLU 40 19.630 13.485 1.666 276 HB3 GLU 40 HB3 GLU 40 21.002 13.008 0.675 277 HG2 GLU 40 HG2 GLU 40 21.942 15.337 1.254 278 HG3 GLU 40 HG3 GLU 40 20.745 15.324 2.547 279 H VAL 41 H VAL 41 20.145 12.658 -1.745 280 HA VAL 41 HA VAL 41 17.281 12.005 -1.846 281 HB VAL 41 HB VAL 41 19.033 11.943 -4.296 282 HG11 VAL 41 HG11 VAL 41 16.389 12.222 -5.036 283 HG12 VAL 41 HG12 VAL 41 17.321 10.724 -5.046 284 HG13 VAL 41 HG13 VAL 41 16.319 11.130 -3.652 285 HG21 VAL 41 HG21 VAL 41 17.129 14.108 -3.413 286 HG22 VAL 41 HG22 VAL 41 18.878 14.252 -3.587 287 HG23 VAL 41 HG23 VAL 41 17.868 13.998 -5.010 288 H CYS 42 H CYS 42 16.979 9.969 -1.258 289 HA CYS 42 HA CYS 42 19.180 8.052 -1.598 290 HB2 CYS 42 HB2 CYS 42 16.789 8.009 0.254 291 HB3 CYS 42 HB3 CYS 42 17.959 6.701 0.115 292 H SER 43 H SER 43 18.997 6.870 -3.381 293 HA SER 43 HA SER 43 16.361 5.738 -4.036 294 HB2 SER 43 HB2 SER 43 16.508 6.297 -6.269 295 HB3 SER 43 HB3 SER 43 17.337 7.680 -5.554 296 HG SER 43 HG SER 43 19.307 6.344 -5.877 297 H CYS 44 H CYS 44 16.540 3.805 -5.488 298 HA CYS 44 HA CYS 44 18.505 2.004 -4.392 299 HB2 CYS 44 HB2 CYS 44 16.362 1.522 -6.473 300 HB3 CYS 44 HB3 CYS 44 17.310 0.276 -5.667 301 H GLN 45 H GLN 45 20.421 1.570 -5.248 302 HA GLN 45 HA GLN 45 20.806 1.998 -8.136 303 HB2 GLN 45 HB2 GLN 45 22.774 2.611 -5.925 304 HB3 GLN 45 HB3 GLN 45 23.111 2.736 -7.646 305 HG2 GLN 45 HG2 GLN 45 20.794 4.245 -6.578 306 HG3 GLN 45 HG3 GLN 45 22.412 4.825 -6.191 307 HE21 GLN 45 HE21 GLN 45 19.949 5.181 -8.279 308 HE22 GLN 45 HE22 GLN 45 20.803 5.744 -9.670 309 H GLN 46 H GLN 46 22.311 0.625 -9.177 310 HA GLN 46 HA GLN 46 22.658 -1.937 -7.798 311 HB2 GLN 46 HB2 GLN 46 23.058 -2.843 -10.083 312 HB3 GLN 46 HB3 GLN 46 21.472 -2.109 -9.885 313 HG2 GLN 46 HG2 GLN 46 22.334 -0.057 -10.961 314 HG3 GLN 46 HG3 GLN 46 23.862 -0.890 -11.246 315 HE21 GLN 46 HE21 GLN 46 20.403 -1.586 -11.662 316 HE22 GLN 46 HE22 GLN 46 20.543 -2.180 -13.279 317 HA PRO 47 HA PRO 47 27.020 -1.574 -7.499 318 HB2 PRO 47 HB2 PRO 47 27.795 -4.149 -7.872 319 HB3 PRO 47 HB3 PRO 47 26.994 -3.590 -6.398 320 HG2 PRO 47 HG2 PRO 47 25.833 -5.015 -8.761 321 HG3 PRO 47 HG3 PRO 47 25.536 -5.285 -7.034 322 HD2 PRO 47 HD2 PRO 47 23.826 -3.892 -8.605 323 HD3 PRO 47 HD3 PRO 47 24.056 -3.524 -6.883 324 H LYS 48 H LYS 48 25.865 -1.060 -10.157 325 HA LYS 48 HA LYS 48 27.180 -2.356 -12.232 326 HB2 LYS 48 HB2 LYS 48 25.572 -0.032 -11.919 327 HB3 LYS 48 HB3 LYS 48 26.986 0.427 -12.860 328 HG2 LYS 48 HG2 LYS 48 25.396 -2.010 -13.564 329 HG3 LYS 48 HG3 LYS 48 24.894 -0.403 -14.096 330 HD2 LYS 48 HD2 LYS 48 27.668 -0.662 -14.623 331 HD3 LYS 48 HD3 LYS 48 26.871 -2.119 -15.220 332 HE2 LYS 48 HE2 LYS 48 25.573 0.474 -15.825 333 HE3 LYS 48 HE3 LYS 48 27.083 0.121 -16.664 334 HZ1 LYS 48 HZ1 LYS 48 25.229 -2.079 -16.643 335 HZ2 LYS 48 HZ2 LYS 48 26.100 -1.411 -17.929 336 HZ3 LYS 48 HZ3 LYS 48 24.637 -0.713 -17.446 337 H SER 49 H SER 49 28.233 0.400 -10.274 338 HA SER 49 HA SER 49 30.815 0.414 -11.644 339 HB2 SER 49 HB2 SER 49 31.232 2.465 -10.255 340 HB3 SER 49 HB3 SER 49 29.837 2.594 -11.327 341 HG SER 49 HG SER 49 28.766 3.061 -9.590 342 H HIS 50 H HIS 50 30.500 -1.894 -10.276 343 HA HIS 50 HA HIS 50 32.725 -1.910 -8.541 344 HB2 HIS 50 HB2 HIS 50 30.632 -0.957 -7.179 345 HB3 HIS 50 HB3 HIS 50 30.306 -2.677 -6.986 346 HD1 HIS 50 HD1 HIS 50 32.406 0.049 -5.717 347 HD2 HIS 50 HD2 HIS 50 32.415 -4.105 -5.615 348 HE1 HIS 50 HE1 HIS 50 34.012 -0.576 -3.885 349 H LYS 51 H LYS 51 33.465 -3.658 -9.636 350 HA LYS 51 HA LYS 51 31.761 -6.057 -9.696 351 HB2 LYS 51 HB2 LYS 51 33.804 -4.951 -11.529 352 HB3 LYS 51 HB3 LYS 51 33.820 -6.698 -11.328 353 HG2 LYS 51 HG2 LYS 51 31.148 -6.109 -11.696 354 HG3 LYS 51 HG3 LYS 51 31.981 -5.013 -12.801 355 HD2 LYS 51 HD2 LYS 51 33.345 -7.253 -13.316 356 HD3 LYS 51 HD3 LYS 51 31.813 -7.971 -12.815 357 HE2 LYS 51 HE2 LYS 51 30.726 -6.327 -14.448 358 HE3 LYS 51 HE3 LYS 51 32.350 -6.084 -15.091 359 HZ1 LYS 51 HZ1 LYS 51 32.491 -8.357 -15.694 360 HZ2 LYS 51 HZ2 LYS 51 30.998 -7.799 -16.263 361 HZ3 LYS 51 HZ3 LYS 51 31.069 -8.750 -14.864 362 H ILE 52 H ILE 52 35.286 -5.629 -9.811 363 HA ILE 52 HA ILE 52 36.969 -6.715 -8.720 364 HB ILE 52 HB ILE 52 35.121 -6.586 -6.338 365 HG12 ILE 52 HG12 ILE 52 37.054 -4.497 -7.366 366 HG13 ILE 52 HG13 ILE 52 35.299 -4.391 -7.453 367 HG21 ILE 52 HG21 ILE 52 37.966 -6.138 -5.930 368 HG22 ILE 52 HG22 ILE 52 36.856 -7.215 -5.084 369 HG23 ILE 52 HG23 ILE 52 37.609 -7.734 -6.591 370 HD11 ILE 52 HD11 ILE 52 35.228 -4.458 -4.980 371 HD12 ILE 52 HD12 ILE 52 36.991 -4.409 -4.968 372 HD13 ILE 52 HD13 ILE 52 36.075 -3.055 -5.631 373 H ALA 53 H ALA 53 36.202 -8.590 -10.123 374 HA ALA 53 HA ALA 53 35.854 -10.825 -10.397 375 HB1 ALA 53 HB1 ALA 53 36.326 -12.141 -8.130 376 HB2 ALA 53 HB2 ALA 53 37.619 -11.458 -9.117 377 HB3 ALA 53 HB3 ALA 53 37.043 -10.589 -7.694 378 H GLU 54 H GLU 54 33.539 -10.111 -10.602 379 HA GLU 54 HA GLU 54 31.849 -10.973 -8.376 380 HB2 GLU 54 HB2 GLU 54 31.634 -8.830 -10.054 381 HB3 GLU 54 HB3 GLU 54 30.554 -9.982 -10.827 382 HG2 GLU 54 HG2 GLU 54 30.404 -9.046 -7.972 383 HG3 GLU 54 HG3 GLU 54 29.343 -8.557 -9.291 384 H LYS 55 H LYS 55 31.418 -13.078 -8.342 385 HA LYS 55 HA LYS 55 31.265 -14.605 -10.810 386 HB2 LYS 55 HB2 LYS 55 31.110 -16.562 -9.350 387 HB3 LYS 55 HB3 LYS 55 32.477 -15.550 -8.903 388 HG2 LYS 55 HG2 LYS 55 31.497 -14.862 -6.934 389 HG3 LYS 55 HG3 LYS 55 29.863 -15.205 -7.504 390 HD2 LYS 55 HD2 LYS 55 30.043 -17.461 -7.067 391 HD3 LYS 55 HD3 LYS 55 31.803 -17.454 -7.199 392 HE2 LYS 55 HE2 LYS 55 32.089 -16.885 -5.033 393 HE3 LYS 55 HE3 LYS 55 30.688 -15.816 -5.020 394 HZ1 LYS 55 HZ1 LYS 55 29.317 -17.469 -4.372 395 HZ2 LYS 55 HZ2 LYS 55 30.743 -18.121 -3.737 396 HZ3 LYS 55 HZ3 LYS 55 30.150 -18.671 -5.223 397 H ILE 56 H ILE 56 29.456 -16.035 -11.252 398 HA ILE 56 HA ILE 56 26.904 -14.989 -10.211 399 HB ILE 56 HB ILE 56 25.899 -15.528 -12.410 400 HG12 ILE 56 HG12 ILE 56 28.248 -15.507 -14.023 401 HG13 ILE 56 HG13 ILE 56 28.431 -16.782 -12.822 402 HG21 ILE 56 HG21 ILE 56 26.578 -13.250 -11.901 403 HG22 ILE 56 HG22 ILE 56 28.203 -13.584 -12.495 404 HG23 ILE 56 HG23 ILE 56 26.836 -13.603 -13.608 405 HD11 ILE 56 HD11 ILE 56 26.173 -17.616 -13.518 406 HD12 ILE 56 HD12 ILE 56 26.243 -16.466 -14.852 407 HD13 ILE 56 HD13 ILE 56 27.442 -17.753 -14.734 408 H ILE 57 H ILE 57 25.077 -16.653 -10.951 409 HA ILE 57 HA ILE 57 26.011 -19.366 -10.288 410 HB ILE 57 HB ILE 57 24.968 -18.359 -8.304 411 HG12 ILE 57 HG12 ILE 57 23.122 -20.435 -9.487 412 HG13 ILE 57 HG13 ILE 57 24.735 -20.813 -8.894 413 HG21 ILE 57 HG21 ILE 57 22.622 -17.755 -8.283 414 HG22 ILE 57 HG22 ILE 57 23.482 -16.799 -9.488 415 HG23 ILE 57 HG23 ILE 57 22.480 -18.160 -9.994 416 HD11 ILE 57 HD11 ILE 57 24.103 -20.716 -6.747 417 HD12 ILE 57 HD12 ILE 57 23.025 -19.346 -7.015 418 HD13 ILE 57 HD13 ILE 57 22.491 -20.977 -7.416 419 H ASP 58 H ASP 58 25.137 -21.007 -11.441 420 HA ASP 58 HA ASP 58 23.736 -20.383 -13.842 421 HB2 ASP 58 HB2 ASP 58 25.318 -22.222 -13.801 422 HB3 ASP 58 HB3 ASP 58 24.384 -23.041 -12.551 423 H LYS 59 H LYS 59 21.624 -20.197 -14.156 424 HA LYS 59 HA LYS 59 19.779 -21.635 -12.385 425 HB2 LYS 59 HB2 LYS 59 20.211 -18.849 -12.319 426 HB3 LYS 59 HB3 LYS 59 18.663 -19.085 -13.121 427 HG2 LYS 59 HG2 LYS 59 18.577 -20.800 -10.943 428 HG3 LYS 59 HG3 LYS 59 19.357 -19.340 -10.330 429 HD2 LYS 59 HD2 LYS 59 17.015 -19.065 -10.015 430 HD3 LYS 59 HD3 LYS 59 17.479 -18.027 -11.365 431 HE2 LYS 59 HE2 LYS 59 16.751 -19.847 -12.912 432 HE3 LYS 59 HE3 LYS 59 16.137 -20.723 -11.510 433 HZ1 LYS 59 HZ1 LYS 59 15.242 -18.035 -12.401 434 HZ2 LYS 59 HZ2 LYS 59 14.659 -18.864 -11.047 435 HZ3 LYS 59 HZ3 LYS 59 14.383 -19.478 -12.599 436 H ALA 60 H ALA 60 18.662 -22.951 -13.660 437 HA ALA 60 HA ALA 60 18.316 -22.458 -16.461 438 HB1 ALA 60 HB1 ALA 60 16.833 -24.543 -16.263 439 HB2 ALA 60 HB2 ALA 60 18.555 -24.715 -15.922 440 HB3 ALA 60 HB3 ALA 60 17.398 -24.617 -14.594 441 H LYS 61 H LYS 61 16.128 -22.617 -17.489 442 HA LYS 61 HA LYS 61 14.385 -20.653 -16.275 443 HB2 LYS 61 HB2 LYS 61 15.029 -21.395 -18.901 444 HB3 LYS 61 HB3 LYS 61 13.341 -21.844 -18.696 445 HG2 LYS 61 HG2 LYS 61 13.122 -19.439 -17.704 446 HG3 LYS 61 HG3 LYS 61 14.612 -19.150 -18.605 447 HD2 LYS 61 HD2 LYS 61 13.313 -18.761 -20.379 448 HD3 LYS 61 HD3 LYS 61 12.996 -20.498 -20.405 449 HE2 LYS 61 HE2 LYS 61 11.155 -19.920 -18.665 450 HE3 LYS 61 HE3 LYS 61 11.325 -18.281 -19.288 451 HZ1 LYS 61 HZ1 LYS 61 9.980 -18.862 -20.928 452 HZ2 LYS 61 HZ2 LYS 61 9.959 -20.477 -20.427 453 HZ3 LYS 61 HZ3 LYS 61 11.155 -19.939 -21.495 454 H THR 62 H THR 62 11.892 -21.286 -17.027 455 HA THR 62 HA THR 62 11.337 -23.800 -15.589 456 HB THR 62 HB THR 62 10.594 -21.908 -14.271 457 HG1 THR 62 HG1 THR 62 9.223 -23.821 -14.453 458 HG21 THR 62 HG21 THR 62 8.476 -20.760 -15.608 459 HG22 THR 62 HG22 THR 62 9.701 -20.924 -16.867 460 HG23 THR 62 HG23 THR 62 10.070 -20.037 -15.389 461 H THR 63 H THR 63 9.322 -24.888 -16.186 462 HA THR 63 HA THR 63 8.825 -24.645 -19.073 463 HB THR 63 HB THR 63 7.778 -26.977 -18.734 464 HG1 THR 63 HG1 THR 63 8.942 -28.024 -16.878 465 HG21 THR 63 HG21 THR 63 10.753 -26.665 -18.318 466 HG22 THR 63 HG22 THR 63 9.931 -26.538 -19.873 467 HG23 THR 63 HG23 THR 63 9.927 -28.067 -18.995 468 H LEU 64 H LEU 64 6.565 -25.352 -19.742 469 HA LEU 64 HA LEU 64 4.679 -23.578 -18.673 470 HB2 LEU 64 HB2 LEU 64 4.417 -24.266 -20.914 471 HB3 LEU 64 HB3 LEU 64 4.429 -25.972 -20.470 472 HG LEU 64 HG LEU 64 2.223 -24.506 -19.257 473 HD11 LEU 64 HD11 LEU 64 2.140 -23.159 -21.174 474 HD12 LEU 64 HD12 LEU 64 0.970 -24.445 -21.471 475 HD13 LEU 64 HD13 LEU 64 2.555 -24.500 -22.241 476 HD21 LEU 64 HD21 LEU 64 1.277 -26.519 -19.403 477 HD22 LEU 64 HD22 LEU 64 2.850 -27.102 -19.947 478 HD23 LEU 64 HD23 LEU 64 1.621 -26.647 -21.128 Start of MODEL 20 1 H1 ALA 1 H ALA 1 2.092 -7.328 -1.444 2 HA ALA 1 HA ALA 1 0.720 -8.072 -3.880 3 HB1 ALA 1 HB1 ALA 1 -0.685 -8.170 -2.035 4 HB2 ALA 1 HB2 ALA 1 -0.084 -6.650 -1.371 5 HB3 ALA 1 HB3 ALA 1 -1.129 -6.641 -2.793 6 H LYS 2 H LYS 2 2.093 -5.173 -2.430 7 HA LYS 2 HA LYS 2 1.239 -3.562 -4.714 8 HB2 LYS 2 HB2 LYS 2 2.692 -2.743 -2.192 9 HB3 LYS 2 HB3 LYS 2 2.077 -1.649 -3.425 10 HG2 LYS 2 HG2 LYS 2 -0.154 -2.092 -2.864 11 HG3 LYS 2 HG3 LYS 2 0.276 -3.536 -1.944 12 HD2 LYS 2 HD2 LYS 2 1.397 -0.912 -1.087 13 HD3 LYS 2 HD3 LYS 2 -0.298 -1.259 -0.739 14 HE2 LYS 2 HE2 LYS 2 0.285 -3.213 0.505 15 HE3 LYS 2 HE3 LYS 2 1.967 -3.109 -0.014 16 HZ1 LYS 2 HZ1 LYS 2 2.264 -2.049 1.912 17 HZ2 LYS 2 HZ2 LYS 2 0.617 -1.727 2.120 18 HZ3 LYS 2 HZ3 LYS 2 1.561 -0.712 1.151 19 H ALA 3 H ALA 3 2.802 -2.180 -5.810 20 HA ALA 3 HA ALA 3 5.026 -3.618 -6.757 21 HB1 ALA 3 HB1 ALA 3 3.632 -1.519 -7.688 22 HB2 ALA 3 HB2 ALA 3 5.069 -0.687 -7.090 23 HB3 ALA 3 HB3 ALA 3 5.227 -1.971 -8.289 24 H CYS 4 H CYS 4 7.090 -3.730 -6.117 25 HA CYS 4 HA CYS 4 7.851 -2.571 -3.609 26 HB2 CYS 4 HB2 CYS 4 10.012 -3.718 -4.010 27 HB3 CYS 4 HB3 CYS 4 8.631 -4.795 -4.188 28 H THR 5 H THR 5 10.449 -1.880 -3.815 29 HA THR 5 HA THR 5 10.345 0.538 -5.492 30 HB THR 5 HB THR 5 12.032 0.072 -3.026 31 HG1 THR 5 HG1 THR 5 9.494 1.259 -3.413 32 HG21 THR 5 HG21 THR 5 11.399 2.697 -4.350 33 HG22 THR 5 HG22 THR 5 12.805 1.735 -4.809 34 HG23 THR 5 HG23 THR 5 12.649 2.339 -3.159 35 HA PRO 6 HA PRO 6 13.611 -1.991 -7.498 36 HB2 PRO 6 HB2 PRO 6 13.124 -1.018 -9.986 37 HB3 PRO 6 HB3 PRO 6 12.213 -2.361 -9.283 38 HG2 PRO 6 HG2 PRO 6 11.474 0.533 -9.474 39 HG3 PRO 6 HG3 PRO 6 10.471 -0.900 -9.767 40 HD2 PRO 6 HD2 PRO 6 10.363 0.508 -7.456 41 HD3 PRO 6 HD3 PRO 6 10.088 -1.245 -7.520 42 H LEU 7 H LEU 7 15.014 -0.917 -9.544 43 HA LEU 7 HA LEU 7 16.666 0.988 -8.252 44 HB2 LEU 7 HB2 LEU 7 17.305 -0.752 -10.006 45 HB3 LEU 7 HB3 LEU 7 16.688 0.393 -11.195 46 HG LEU 7 HG LEU 7 18.451 1.911 -9.713 47 HD11 LEU 7 HD11 LEU 7 19.614 -0.841 -10.111 48 HD12 LEU 7 HD12 LEU 7 19.306 -0.049 -8.567 49 HD13 LEU 7 HD13 LEU 7 20.524 0.601 -9.664 50 HD21 LEU 7 HD21 LEU 7 19.924 1.017 -11.864 51 HD22 LEU 7 HD22 LEU 7 18.785 2.364 -11.872 52 HD23 LEU 7 HD23 LEU 7 18.256 0.759 -12.375 53 H LEU 8 H LEU 8 17.193 3.132 -8.986 54 HA LEU 8 HA LEU 8 16.708 5.256 -9.638 55 HB2 LEU 8 HB2 LEU 8 14.634 4.120 -11.488 56 HB3 LEU 8 HB3 LEU 8 15.530 5.629 -11.648 57 HG LEU 8 HG LEU 8 16.881 2.947 -11.802 58 HD11 LEU 8 HD11 LEU 8 15.387 4.451 -13.913 59 HD12 LEU 8 HD12 LEU 8 15.389 2.724 -13.557 60 HD13 LEU 8 HD13 LEU 8 16.788 3.465 -14.332 61 HD21 LEU 8 HD21 LEU 8 18.571 4.224 -13.023 62 HD22 LEU 8 HD22 LEU 8 18.309 4.883 -11.408 63 HD23 LEU 8 HD23 LEU 8 17.616 5.692 -12.815 64 H HIS 9 H HIS 9 15.263 3.937 -7.474 65 HA HIS 9 HA HIS 9 12.956 5.750 -7.376 66 HB2 HIS 9 HB2 HIS 9 12.976 2.792 -6.933 67 HB3 HIS 9 HB3 HIS 9 11.883 3.787 -5.975 68 HD1 HIS 9 HD1 HIS 9 9.962 5.000 -7.252 69 HD2 HIS 9 HD2 HIS 9 12.271 2.471 -9.604 70 HE1 HIS 9 HE1 HIS 9 8.662 4.689 -9.383 71 H ASP 10 H ASP 10 12.640 6.755 -5.449 72 HA ASP 10 HA ASP 10 14.718 7.054 -3.652 73 HB2 ASP 10 HB2 ASP 10 11.810 7.422 -2.925 74 HB3 ASP 10 HB3 ASP 10 13.203 8.276 -2.267 75 H CYS 11 H CYS 11 15.130 6.294 -1.566 76 HA CYS 11 HA CYS 11 13.578 3.984 -0.650 77 HB2 CYS 11 HB2 CYS 11 15.779 2.838 -0.097 78 HB3 CYS 11 HB3 CYS 11 15.350 2.905 -1.804 79 H SER 12 H SER 12 14.153 6.882 0.132 80 HA SER 12 HA SER 12 15.675 7.007 2.456 81 HB2 SER 12 HB2 SER 12 14.890 9.030 1.397 82 HB3 SER 12 HB3 SER 12 13.208 8.573 1.671 83 HG SER 12 HG SER 12 13.446 8.951 3.816 84 H HIS 13 H HIS 13 12.510 5.697 1.912 85 HA HIS 13 HA HIS 13 11.574 5.712 4.578 86 HB2 HIS 13 HB2 HIS 13 10.857 4.218 2.090 87 HB3 HIS 13 HB3 HIS 13 10.206 3.663 3.629 88 HD1 HIS 13 HD1 HIS 13 7.980 4.601 4.097 89 HD2 HIS 13 HD2 HIS 13 10.301 7.215 1.852 90 HE1 HIS 13 HE1 HIS 13 6.517 6.601 3.671 91 H ASP 14 H ASP 14 13.375 3.318 2.691 92 HA ASP 14 HA ASP 14 14.531 2.218 5.077 93 HB2 ASP 14 HB2 ASP 14 12.236 0.903 3.794 94 HB3 ASP 14 HB3 ASP 14 13.626 -0.151 4.042 95 H ARG 15 H ARG 15 16.579 1.909 4.539 96 HA ARG 15 HA ARG 15 17.540 1.901 1.904 97 HB2 ARG 15 HB2 ARG 15 18.901 0.894 4.410 98 HB3 ARG 15 HB3 ARG 15 19.703 1.272 2.891 99 HG2 ARG 15 HG2 ARG 15 19.334 3.570 3.135 100 HG3 ARG 15 HG3 ARG 15 18.107 3.326 4.381 101 HD2 ARG 15 HD2 ARG 15 19.861 3.917 5.708 102 HD3 ARG 15 HD3 ARG 15 20.138 2.178 5.633 103 HE ARG 15 HE ARG 15 22.057 2.570 4.448 104 HH11 ARG 15 HH11 ARG 15 20.107 5.454 4.454 105 HH12 ARG 15 HH12 ARG 15 21.332 6.441 3.728 106 HH21 ARG 15 HH21 ARG 15 23.679 3.859 3.492 107 HH22 ARG 15 HH22 ARG 15 23.363 5.533 3.181 108 H HIS 16 H HIS 16 16.181 -0.592 3.790 109 HA HIS 16 HA HIS 16 17.214 -2.627 1.924 110 HB2 HIS 16 HB2 HIS 16 17.593 -2.725 4.551 111 HB3 HIS 16 HB3 HIS 16 15.972 -3.412 4.520 112 HD1 HIS 16 HD1 HIS 16 16.941 -5.699 5.306 113 HD2 HIS 16 HD2 HIS 16 18.352 -4.402 1.620 114 HE1 HIS 16 HE1 HIS 16 18.051 -7.702 4.268 115 H SER 17 H SER 17 14.884 -0.798 1.637 116 HA SER 17 HA SER 17 12.639 -2.672 1.737 117 HB2 SER 17 HB2 SER 17 11.897 -0.636 2.575 118 HB3 SER 17 HB3 SER 17 12.881 0.302 1.452 119 HG SER 17 HG SER 17 10.357 -0.248 1.201 120 H CYS 18 H CYS 18 14.865 -1.253 -0.466 121 HA CYS 18 HA CYS 18 13.494 -1.238 -2.862 122 HB2 CYS 18 HB2 CYS 18 16.368 -2.020 -2.334 123 HB3 CYS 18 HB3 CYS 18 15.708 -1.681 -3.930 124 H CYS 19 H CYS 19 13.524 -2.773 -4.648 125 HA CYS 19 HA CYS 19 12.468 -5.262 -3.966 126 HB2 CYS 19 HB2 CYS 19 13.769 -4.455 -6.576 127 HB3 CYS 19 HB3 CYS 19 12.681 -5.820 -6.347 128 H ARG 20 H ARG 20 13.564 -7.269 -5.313 129 HA ARG 20 HA ARG 20 16.334 -7.495 -4.345 130 HB2 ARG 20 HB2 ARG 20 14.233 -9.661 -4.152 131 HB3 ARG 20 HB3 ARG 20 15.900 -9.771 -3.603 132 HG2 ARG 20 HG2 ARG 20 15.531 -8.289 -1.825 133 HG3 ARG 20 HG3 ARG 20 14.004 -7.724 -2.505 134 HD2 ARG 20 HD2 ARG 20 12.974 -9.217 -1.217 135 HD3 ARG 20 HD3 ARG 20 13.692 -10.479 -2.219 136 HE ARG 20 HE ARG 20 14.480 -9.712 0.448 137 HH11 ARG 20 HH11 ARG 20 15.424 -11.303 -2.502 138 HH12 ARG 20 HH12 ARG 20 16.638 -12.276 -1.742 139 HH21 ARG 20 HH21 ARG 20 16.076 -10.989 1.460 140 HH22 ARG 20 HH22 ARG 20 17.008 -12.098 0.513 141 H GLY 21 H GLY 21 13.848 -8.727 -6.543 142 HA2 GLY 21 HA2 GLY 21 14.002 -9.615 -8.653 143 HA3 GLY 21 HA3 GLY 21 15.569 -8.827 -8.762 144 H ASP 22 H ASP 22 15.128 -11.245 -9.992 145 HA ASP 22 HA ASP 22 16.102 -13.373 -8.295 146 HB2 ASP 22 HB2 ASP 22 14.478 -13.499 -10.367 147 HB3 ASP 22 HB3 ASP 22 15.983 -13.605 -11.274 148 H MET 23 H MET 23 17.471 -10.885 -10.128 149 HA MET 23 HA MET 23 19.944 -12.313 -10.687 150 HB2 MET 23 HB2 MET 23 19.205 -9.424 -11.185 151 HB3 MET 23 HB3 MET 23 20.660 -10.225 -11.762 152 HG2 MET 23 HG2 MET 23 19.174 -11.809 -13.013 153 HG3 MET 23 HG3 MET 23 17.821 -10.768 -12.578 154 HE1 MET 23 HE1 MET 23 17.176 -8.919 -15.027 155 HE2 MET 23 HE2 MET 23 17.256 -8.810 -13.268 156 HE3 MET 23 HE3 MET 23 18.124 -7.642 -14.265 157 H PHE 24 H PHE 24 19.384 -9.090 -9.281 158 HA PHE 24 HA PHE 24 20.967 -9.803 -6.945 159 HB2 PHE 24 HB2 PHE 24 22.417 -8.855 -8.928 160 HB3 PHE 24 HB3 PHE 24 21.771 -7.308 -8.390 161 HD1 PHE 24 HD1 PHE 24 23.794 -10.221 -7.391 162 HD2 PHE 24 HD2 PHE 24 22.549 -6.271 -6.410 163 HE1 PHE 24 HE1 PHE 24 25.519 -10.117 -5.640 164 HE2 PHE 24 HE2 PHE 24 24.273 -6.159 -4.657 165 HZ PHE 24 HZ PHE 24 25.759 -8.085 -4.270 166 H LYS 25 H LYS 25 20.810 -8.258 -5.223 167 HA LYS 25 HA LYS 25 18.266 -6.851 -5.259 168 HB2 LYS 25 HB2 LYS 25 20.235 -7.467 -3.055 169 HB3 LYS 25 HB3 LYS 25 18.781 -6.508 -2.808 170 HG2 LYS 25 HG2 LYS 25 17.422 -8.304 -2.875 171 HG3 LYS 25 HG3 LYS 25 18.390 -9.130 -4.097 172 HD2 LYS 25 HD2 LYS 25 18.641 -10.434 -2.165 173 HD3 LYS 25 HD3 LYS 25 20.117 -9.468 -2.240 174 HE2 LYS 25 HE2 LYS 25 18.711 -7.811 -0.757 175 HE3 LYS 25 HE3 LYS 25 17.801 -9.271 -0.373 176 HZ1 LYS 25 HZ1 LYS 25 20.426 -10.005 -0.134 177 HZ2 LYS 25 HZ2 LYS 25 19.360 -9.672 1.136 178 HZ3 LYS 25 HZ3 LYS 25 20.375 -8.455 0.543 179 H TYR 26 H TYR 26 17.997 -4.677 -5.124 180 HA TYR 26 HA TYR 26 20.231 -3.022 -5.837 181 HB2 TYR 26 HB2 TYR 26 17.380 -2.261 -5.170 182 HB3 TYR 26 HB3 TYR 26 18.581 -1.199 -5.897 183 HD1 TYR 26 HD2 TYR 26 19.761 -2.440 -8.054 184 HD2 TYR 26 HD1 TYR 26 15.797 -3.050 -6.636 185 HE1 TYR 26 HE2 TYR 26 19.083 -3.199 -10.294 186 HE2 TYR 26 HE1 TYR 26 15.107 -3.812 -8.871 187 HH TYR 26 HH TYR 26 16.733 -4.935 -11.013 188 H VAL 27 H VAL 27 21.223 -1.437 -4.636 189 HA VAL 27 HA VAL 27 20.716 -1.542 -1.737 190 HB VAL 27 HB VAL 27 23.066 -0.591 -1.564 191 HG11 VAL 27 HG11 VAL 27 22.706 -3.344 -2.746 192 HG12 VAL 27 HG12 VAL 27 24.123 -2.788 -1.852 193 HG13 VAL 27 HG13 VAL 27 22.561 -2.910 -1.043 194 HG21 VAL 27 HG21 VAL 27 23.240 0.171 -3.893 195 HG22 VAL 27 HG22 VAL 27 24.553 -0.923 -3.459 196 HG23 VAL 27 HG23 VAL 27 23.205 -1.507 -4.436 197 H CYS 28 H CYS 28 20.391 0.309 -0.589 198 HA CYS 28 HA CYS 28 19.476 2.604 -1.995 199 HB2 CYS 28 HB2 CYS 28 18.698 1.725 0.291 200 HB3 CYS 28 HB3 CYS 28 20.119 2.532 0.947 201 H ASP 29 H ASP 29 20.632 4.229 -2.774 202 HA ASP 29 HA ASP 29 23.225 4.845 -1.519 203 HB2 ASP 29 HB2 ASP 29 22.864 3.874 -4.087 204 HB3 ASP 29 HB3 ASP 29 23.021 5.612 -4.329 205 H CYS 30 H CYS 30 23.521 6.894 -0.903 206 HA CYS 30 HA CYS 30 21.480 8.861 -1.680 207 HB2 CYS 30 HB2 CYS 30 23.349 8.904 0.699 208 HB3 CYS 30 HB3 CYS 30 22.063 10.060 0.367 209 H PHE 31 H PHE 31 22.026 10.751 -2.636 210 HA PHE 31 HA PHE 31 24.833 11.522 -2.812 211 HB2 PHE 31 HB2 PHE 31 24.442 11.919 -5.336 212 HB3 PHE 31 HB3 PHE 31 24.767 10.276 -4.793 213 HD1 PHE 31 HD2 PHE 31 22.937 8.633 -4.664 214 HD2 PHE 31 HD1 PHE 31 22.356 12.518 -6.301 215 HE1 PHE 31 HE2 PHE 31 20.854 7.870 -5.729 216 HE2 PHE 31 HE1 PHE 31 20.273 11.762 -7.368 217 HZ PHE 31 HZ PHE 31 19.520 9.434 -7.083 218 H TYR 32 H TYR 32 25.019 13.676 -4.024 219 HA TYR 32 HA TYR 32 22.777 15.386 -3.179 220 HB2 TYR 32 HB2 TYR 32 25.604 16.320 -3.647 221 HB3 TYR 32 HB3 TYR 32 24.320 17.136 -2.763 222 HD1 TYR 32 HD2 TYR 32 26.745 14.362 -2.649 223 HD2 TYR 32 HD1 TYR 32 23.896 16.643 -0.463 224 HE1 TYR 32 HE2 TYR 32 27.571 13.375 -0.553 225 HE2 TYR 32 HE1 TYR 32 24.715 15.663 1.640 226 HH TYR 32 HH TYR 32 26.083 14.178 2.568 227 HA PRO 33 HA PRO 33 22.737 15.619 -7.778 228 HB2 PRO 33 HB2 PRO 33 20.034 15.817 -7.954 229 HB3 PRO 33 HB3 PRO 33 20.879 14.268 -7.842 230 HG2 PRO 33 HG2 PRO 33 19.503 15.835 -5.693 231 HG3 PRO 33 HG3 PRO 33 19.461 14.090 -6.007 232 HD2 PRO 33 HD2 PRO 33 21.019 15.187 -4.082 233 HD3 PRO 33 HD3 PRO 33 21.491 13.728 -4.977 234 H GLU 34 H GLU 34 23.736 17.761 -6.859 235 HA GLU 34 HA GLU 34 23.752 20.041 -6.753 236 HB2 GLU 34 HB2 GLU 34 21.712 19.673 -8.953 237 HB3 GLU 34 HB3 GLU 34 22.578 21.164 -8.612 238 HG2 GLU 34 HG2 GLU 34 23.855 18.567 -9.435 239 HG3 GLU 34 HG3 GLU 34 23.524 19.928 -10.506 240 H GLY 35 H GLY 35 21.876 18.689 -4.971 241 HA2 GLY 35 HA2 GLY 35 19.480 20.291 -4.893 242 HA3 GLY 35 HA3 GLY 35 19.979 19.098 -3.704 243 H GLU 36 H GLU 36 20.521 22.409 -4.812 244 HA GLU 36 HA GLU 36 22.104 23.176 -2.576 245 HB2 GLU 36 HB2 GLU 36 21.710 25.481 -3.365 246 HB3 GLU 36 HB3 GLU 36 22.234 24.412 -4.659 247 HG2 GLU 36 HG2 GLU 36 19.706 24.144 -5.135 248 HG3 GLU 36 HG3 GLU 36 19.544 25.617 -4.179 249 H ASP 37 H ASP 37 18.666 23.451 -3.360 250 HA ASP 37 HA ASP 37 18.152 24.558 -0.693 251 HB2 ASP 37 HB2 ASP 37 15.794 24.847 -1.654 252 HB3 ASP 37 HB3 ASP 37 17.066 25.863 -2.328 253 H LYS 38 H LYS 38 18.165 21.629 -2.321 254 HA LYS 38 HA LYS 38 16.060 20.463 -0.647 255 HB2 LYS 38 HB2 LYS 38 17.614 19.122 -2.862 256 HB3 LYS 38 HB3 LYS 38 16.133 18.554 -2.103 257 HG2 LYS 38 HG2 LYS 38 14.839 20.223 -3.140 258 HG3 LYS 38 HG3 LYS 38 16.268 21.139 -3.623 259 HD2 LYS 38 HD2 LYS 38 15.298 19.947 -5.523 260 HD3 LYS 38 HD3 LYS 38 16.911 19.339 -5.147 261 HE2 LYS 38 HE2 LYS 38 14.601 17.993 -3.861 262 HE3 LYS 38 HE3 LYS 38 14.837 17.727 -5.587 263 HZ1 LYS 38 HZ1 LYS 38 16.283 16.647 -3.391 264 HZ2 LYS 38 HZ2 LYS 38 17.326 17.437 -4.462 265 HZ3 LYS 38 HZ3 LYS 38 16.320 16.198 -5.022 266 H THR 39 H THR 39 16.947 17.857 -0.491 267 HA THR 39 HA THR 39 19.415 18.084 1.104 268 HB THR 39 HB THR 39 17.343 17.836 2.503 269 HG1 THR 39 HG1 THR 39 19.069 17.126 3.587 270 HG21 THR 39 HG21 THR 39 16.193 16.303 0.869 271 HG22 THR 39 HG22 THR 39 16.154 15.769 2.550 272 HG23 THR 39 HG23 THR 39 17.280 15.025 1.414 273 H GLU 40 H GLU 40 20.153 15.675 1.653 274 HA GLU 40 HA GLU 40 21.134 14.580 -0.712 275 HB2 GLU 40 HB2 GLU 40 20.757 13.033 1.850 276 HB3 GLU 40 HB3 GLU 40 21.979 12.782 0.612 277 HG2 GLU 40 HG2 GLU 40 23.315 13.958 1.944 278 HG3 GLU 40 HG3 GLU 40 22.441 15.368 1.349 279 H VAL 41 H VAL 41 20.277 13.305 -2.213 280 HA VAL 41 HA VAL 41 17.628 12.164 -1.746 281 HB VAL 41 HB VAL 41 19.182 12.306 -4.332 282 HG11 VAL 41 HG11 VAL 41 16.812 10.933 -3.600 283 HG12 VAL 41 HG12 VAL 41 16.363 12.256 -4.678 284 HG13 VAL 41 HG13 VAL 41 17.557 11.064 -5.192 285 HG21 VAL 41 HG21 VAL 41 18.792 14.547 -3.576 286 HG22 VAL 41 HG22 VAL 41 17.643 14.194 -4.867 287 HG23 VAL 41 HG23 VAL 41 17.113 14.175 -3.185 288 H CYS 42 H CYS 42 17.400 10.101 -1.217 289 HA CYS 42 HA CYS 42 19.593 8.236 -1.819 290 HB2 CYS 42 HB2 CYS 42 17.386 7.956 0.230 291 HB3 CYS 42 HB3 CYS 42 18.752 6.867 0.014 292 H SER 43 H SER 43 19.251 6.999 -3.534 293 HA SER 43 HA SER 43 16.531 5.965 -3.998 294 HB2 SER 43 HB2 SER 43 16.679 6.329 -6.305 295 HB3 SER 43 HB3 SER 43 17.414 7.783 -5.631 296 HG SER 43 HG SER 43 18.648 6.821 -7.341 297 H CYS 44 H CYS 44 16.572 3.997 -5.464 298 HA CYS 44 HA CYS 44 18.415 2.091 -4.339 299 HB2 CYS 44 HB2 CYS 44 16.244 1.731 -6.416 300 HB3 CYS 44 HB3 CYS 44 17.120 0.429 -5.618 301 H GLN 45 H GLN 45 20.339 1.632 -5.154 302 HA GLN 45 HA GLN 45 20.732 1.845 -8.062 303 HB2 GLN 45 HB2 GLN 45 22.646 2.733 -5.899 304 HB3 GLN 45 HB3 GLN 45 23.048 2.640 -7.609 305 HG2 GLN 45 HG2 GLN 45 20.664 4.228 -6.887 306 HG3 GLN 45 HG3 GLN 45 22.234 4.881 -6.420 307 HE21 GLN 45 HE21 GLN 45 20.072 4.213 -9.000 308 HE22 GLN 45 HE22 GLN 45 21.008 4.929 -10.264 309 H GLN 46 H GLN 46 22.301 0.431 -8.963 310 HA GLN 46 HA GLN 46 22.684 -1.994 -7.359 311 HB2 GLN 46 HB2 GLN 46 23.230 -3.002 -9.646 312 HB3 GLN 46 HB3 GLN 46 21.560 -2.535 -9.351 313 HG2 GLN 46 HG2 GLN 46 21.886 -0.487 -10.609 314 HG3 GLN 46 HG3 GLN 46 23.582 -0.897 -10.864 315 HE21 GLN 46 HE21 GLN 46 20.298 -2.055 -11.451 316 HE22 GLN 46 HE22 GLN 46 20.653 -2.849 -12.943 317 HA PRO 47 HA PRO 47 27.040 -1.546 -7.103 318 HB2 PRO 47 HB2 PRO 47 27.871 -4.120 -7.328 319 HB3 PRO 47 HB3 PRO 47 27.058 -3.497 -5.889 320 HG2 PRO 47 HG2 PRO 47 25.930 -5.079 -8.165 321 HG3 PRO 47 HG3 PRO 47 25.637 -5.257 -6.425 322 HD2 PRO 47 HD2 PRO 47 23.898 -3.994 -8.073 323 HD3 PRO 47 HD3 PRO 47 24.119 -3.524 -6.375 324 H LYS 48 H LYS 48 25.881 -1.203 -9.783 325 HA LYS 48 HA LYS 48 26.496 -1.113 -11.977 326 HB2 LYS 48 HB2 LYS 48 29.320 -1.339 -10.940 327 HB3 LYS 48 HB3 LYS 48 28.773 -0.535 -12.404 328 HG2 LYS 48 HG2 LYS 48 27.508 1.060 -10.933 329 HG3 LYS 48 HG3 LYS 48 28.349 0.336 -9.559 330 HD2 LYS 48 HD2 LYS 48 29.689 2.160 -10.066 331 HD3 LYS 48 HD3 LYS 48 30.494 0.845 -10.925 332 HE2 LYS 48 HE2 LYS 48 28.932 1.590 -12.892 333 HE3 LYS 48 HE3 LYS 48 28.870 3.107 -11.996 334 HZ1 LYS 48 HZ1 LYS 48 31.112 3.476 -12.296 335 HZ2 LYS 48 HZ2 LYS 48 30.682 2.775 -13.774 336 HZ3 LYS 48 HZ3 LYS 48 31.465 1.848 -12.595 337 H SER 49 H SER 49 25.646 -3.115 -12.613 338 HA SER 49 HA SER 49 27.690 -5.089 -13.306 339 HB2 SER 49 HB2 SER 49 26.625 -6.908 -12.334 340 HB3 SER 49 HB3 SER 49 26.322 -5.653 -11.133 341 HG SER 49 HG SER 49 24.292 -5.311 -12.373 342 H HIS 50 H HIS 50 26.225 -6.979 -14.525 343 HA HIS 50 HA HIS 50 25.008 -7.518 -16.379 344 HB2 HIS 50 HB2 HIS 50 23.306 -5.932 -15.219 345 HB3 HIS 50 HB3 HIS 50 23.805 -4.766 -16.441 346 HD1 HIS 50 HD1 HIS 50 22.042 -4.709 -18.166 347 HD2 HIS 50 HD2 HIS 50 22.806 -8.583 -16.875 348 HE1 HIS 50 HE1 HIS 50 20.580 -6.189 -19.580 349 H LYS 51 H LYS 51 25.547 -4.019 -16.802 350 HA LYS 51 HA LYS 51 27.704 -4.344 -18.617 351 HB2 LYS 51 HB2 LYS 51 26.079 -5.125 -20.182 352 HB3 LYS 51 HB3 LYS 51 24.964 -3.830 -19.769 353 HG2 LYS 51 HG2 LYS 51 26.456 -2.196 -20.764 354 HG3 LYS 51 HG3 LYS 51 27.624 -3.467 -21.133 355 HD2 LYS 51 HD2 LYS 51 26.242 -4.427 -22.756 356 HD3 LYS 51 HD3 LYS 51 24.803 -3.605 -22.147 357 HE2 LYS 51 HE2 LYS 51 26.177 -1.451 -22.788 358 HE3 LYS 51 HE3 LYS 51 27.008 -2.572 -23.867 359 HZ1 LYS 51 HZ1 LYS 51 25.068 -2.998 -25.044 360 HZ2 LYS 51 HZ2 LYS 51 24.981 -1.333 -24.757 361 HZ3 LYS 51 HZ3 LYS 51 24.060 -2.402 -23.822 362 H ILE 52 H ILE 52 28.750 -2.702 -17.613 363 HA ILE 52 HA ILE 52 28.203 -0.052 -18.345 364 HB ILE 52 HB ILE 52 26.364 -0.127 -16.782 365 HG12 ILE 52 HG12 ILE 52 27.014 1.707 -15.278 366 HG13 ILE 52 HG13 ILE 52 28.713 1.372 -15.598 367 HG21 ILE 52 HG21 ILE 52 26.407 -1.369 -14.945 368 HG22 ILE 52 HG22 ILE 52 28.077 -1.805 -15.302 369 HG23 ILE 52 HG23 ILE 52 27.729 -0.404 -14.290 370 HD11 ILE 52 HD11 ILE 52 26.779 2.118 -17.766 371 HD12 ILE 52 HD12 ILE 52 27.689 3.311 -16.839 372 HD13 ILE 52 HD13 ILE 52 28.542 2.118 -17.820 373 H ALA 53 H ALA 53 30.150 0.835 -18.421 374 HA ALA 53 HA ALA 53 32.278 1.449 -17.882 375 HB1 ALA 53 HB1 ALA 53 32.726 0.460 -15.299 376 HB2 ALA 53 HB2 ALA 53 32.295 2.106 -15.762 377 HB3 ALA 53 HB3 ALA 53 31.031 0.948 -15.346 378 H GLU 54 H GLU 54 32.084 -1.452 -15.845 379 HA GLU 54 HA GLU 54 34.485 -2.514 -16.979 380 HB2 GLU 54 HB2 GLU 54 32.710 -3.135 -14.751 381 HB3 GLU 54 HB3 GLU 54 33.288 -4.580 -15.567 382 HG2 GLU 54 HG2 GLU 54 35.068 -2.384 -14.542 383 HG3 GLU 54 HG3 GLU 54 34.694 -3.863 -13.660 384 H LYS 55 H LYS 55 31.045 -3.302 -17.215 385 HA LYS 55 HA LYS 55 29.859 -4.519 -18.728 386 HB2 LYS 55 HB2 LYS 55 31.663 -3.148 -20.219 387 HB3 LYS 55 HB3 LYS 55 32.084 -4.800 -20.651 388 HG2 LYS 55 HG2 LYS 55 29.255 -4.552 -20.738 389 HG3 LYS 55 HG3 LYS 55 29.964 -3.205 -21.631 390 HD2 LYS 55 HD2 LYS 55 31.181 -5.844 -22.124 391 HD3 LYS 55 HD3 LYS 55 29.518 -5.654 -22.685 392 HE2 LYS 55 HE2 LYS 55 30.145 -4.342 -24.378 393 HE3 LYS 55 HE3 LYS 55 31.160 -3.351 -23.331 394 HZ1 LYS 55 HZ1 LYS 55 32.930 -4.304 -24.220 395 HZ2 LYS 55 HZ2 LYS 55 31.957 -5.277 -25.202 396 HZ3 LYS 55 HZ3 LYS 55 32.420 -5.821 -23.669 397 H ILE 56 H ILE 56 31.689 -5.793 -16.747 398 HA ILE 56 HA ILE 56 32.728 -8.172 -17.929 399 HB ILE 56 HB ILE 56 33.595 -7.248 -15.805 400 HG12 ILE 56 HG12 ILE 56 32.697 -9.846 -14.832 401 HG13 ILE 56 HG13 ILE 56 33.222 -9.906 -16.511 402 HG21 ILE 56 HG21 ILE 56 32.401 -7.232 -13.814 403 HG22 ILE 56 HG22 ILE 56 31.200 -6.721 -14.999 404 HG23 ILE 56 HG23 ILE 56 31.204 -8.382 -14.407 405 HD11 ILE 56 HD11 ILE 56 34.925 -10.330 -14.614 406 HD12 ILE 56 HD12 ILE 56 35.388 -9.324 -15.987 407 HD13 ILE 56 HD13 ILE 56 34.929 -8.574 -14.459 408 H ILE 57 H ILE 57 31.871 -10.203 -18.046 409 HA ILE 57 HA ILE 57 28.990 -10.392 -17.905 410 HB ILE 57 HB ILE 57 31.026 -12.484 -18.680 411 HG12 ILE 57 HG12 ILE 57 29.243 -10.861 -20.496 412 HG13 ILE 57 HG13 ILE 57 30.890 -10.381 -20.102 413 HG21 ILE 57 HG21 ILE 57 28.245 -12.689 -18.127 414 HG22 ILE 57 HG22 ILE 57 28.490 -12.927 -19.856 415 HG23 ILE 57 HG23 ILE 57 29.352 -13.939 -18.697 416 HD11 ILE 57 HD11 ILE 57 29.919 -12.400 -21.959 417 HD12 ILE 57 HD12 ILE 57 31.460 -11.545 -21.910 418 HD13 ILE 57 HD13 ILE 57 31.211 -12.973 -20.907 419 H ASP 58 H ASP 58 28.375 -10.416 -15.777 420 HA ASP 58 HA ASP 58 29.559 -12.427 -14.008 421 HB2 ASP 58 HB2 ASP 58 27.899 -9.968 -13.554 422 HB3 ASP 58 HB3 ASP 58 27.988 -11.215 -12.313 423 H LYS 59 H LYS 59 28.341 -13.899 -15.673 424 HA LYS 59 HA LYS 59 25.579 -14.327 -14.759 425 HB2 LYS 59 HB2 LYS 59 26.184 -14.012 -17.253 426 HB3 LYS 59 HB3 LYS 59 26.821 -15.649 -17.156 427 HG2 LYS 59 HG2 LYS 59 24.222 -15.642 -16.011 428 HG3 LYS 59 HG3 LYS 59 24.150 -14.814 -17.569 429 HD2 LYS 59 HD2 LYS 59 25.727 -17.304 -17.520 430 HD3 LYS 59 HD3 LYS 59 23.989 -17.496 -17.268 431 HE2 LYS 59 HE2 LYS 59 24.104 -15.724 -19.360 432 HE3 LYS 59 HE3 LYS 59 25.475 -16.784 -19.682 433 HZ1 LYS 59 HZ1 LYS 59 23.949 -18.687 -19.461 434 HZ2 LYS 59 HZ2 LYS 59 23.527 -17.660 -20.736 435 HZ3 LYS 59 HZ3 LYS 59 22.651 -17.614 -19.290 436 H ALA 60 H ALA 60 25.404 -15.791 -13.200 437 HA ALA 60 HA ALA 60 27.185 -18.138 -13.272 438 HB1 ALA 60 HB1 ALA 60 25.810 -17.441 -10.748 439 HB2 ALA 60 HB2 ALA 60 27.432 -18.079 -11.021 440 HB3 ALA 60 HB3 ALA 60 27.105 -16.366 -11.276 441 H LYS 61 H LYS 61 26.302 -20.176 -12.699 442 HA LYS 61 HA LYS 61 23.365 -20.328 -12.913 443 HB2 LYS 61 HB2 LYS 61 25.350 -21.432 -14.640 444 HB3 LYS 61 HB3 LYS 61 24.539 -22.759 -13.818 445 HG2 LYS 61 HG2 LYS 61 22.522 -22.321 -14.800 446 HG3 LYS 61 HG3 LYS 61 22.877 -20.605 -15.019 447 HD2 LYS 61 HD2 LYS 61 24.332 -21.067 -16.855 448 HD3 LYS 61 HD3 LYS 61 24.268 -22.802 -16.543 449 HE2 LYS 61 HE2 LYS 61 21.608 -21.835 -16.864 450 HE3 LYS 61 HE3 LYS 61 22.585 -21.243 -18.207 451 HZ1 LYS 61 HZ1 LYS 61 23.318 -23.538 -18.594 452 HZ2 LYS 61 HZ2 LYS 61 21.643 -23.369 -18.756 453 HZ3 LYS 61 HZ3 LYS 61 22.290 -24.074 -17.361 454 H THR 62 H THR 62 22.588 -20.929 -11.004 455 HA THR 62 HA THR 62 24.117 -22.334 -9.056 456 HB THR 62 HB THR 62 22.357 -20.770 -8.388 457 HG1 THR 62 HG1 THR 62 22.552 -22.114 -6.736 458 HG21 THR 62 HG21 THR 62 20.019 -21.262 -8.678 459 HG22 THR 62 HG22 THR 62 20.395 -22.810 -9.435 460 HG23 THR 62 HG23 THR 62 20.798 -21.304 -10.258 461 H THR 63 H THR 63 23.738 -24.424 -8.200 462 HA THR 63 HA THR 63 22.340 -26.264 -10.030 463 HB THR 63 HB THR 63 24.647 -26.683 -10.406 464 HG1 THR 63 HG1 THR 63 23.577 -28.618 -10.158 465 HG21 THR 63 HG21 THR 63 25.013 -26.843 -7.412 466 HG22 THR 63 HG22 THR 63 25.511 -25.490 -8.426 467 HG23 THR 63 HG23 THR 63 26.265 -27.072 -8.632 468 H LEU 64 H LEU 64 20.738 -27.324 -9.080 469 HA LEU 64 HA LEU 64 20.871 -27.761 -6.168 470 HB2 LEU 64 HB2 LEU 64 18.683 -26.859 -7.948 471 HB3 LEU 64 HB3 LEU 64 18.246 -27.955 -6.638 472 HG LEU 64 HG LEU 64 17.885 -25.632 -6.005 473 HD11 LEU 64 HD11 LEU 64 18.926 -25.703 -3.890 474 HD12 LEU 64 HD12 LEU 64 20.278 -26.657 -4.500 475 HD13 LEU 64 HD13 LEU 64 18.678 -27.385 -4.362 476 HD21 LEU 64 HD21 LEU 64 20.857 -25.260 -6.340 477 HD22 LEU 64 HD22 LEU 64 19.680 -24.049 -5.834 478 HD23 LEU 64 HD23 LEU 64 19.643 -24.679 -7.481
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