NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
625304 | 5n7y | 34102 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 0 H1 SER 0 -9.239 -9.511 -0.535 2 H2 SER 0 H2 SER 0 -8.102 -10.761 -0.484 3 H3 SER 0 H3 SER 0 -9.285 -10.746 -1.690 4 HA SER 0 HA SER 0 -7.164 -8.712 -1.365 5 HB2 SER 0 HB2 SER 0 -7.400 -10.954 -3.387 6 HB3 SER 0 HB3 SER 0 -6.123 -9.738 -3.333 7 HG SER 0 HG SER 0 -5.572 -10.561 -1.240 8 H MET 1 H MET 1 -10.270 -9.090 -2.144 9 HA MET 1 HA MET 1 -10.259 -6.752 -3.846 10 HB2 MET 1 HB2 MET 1 -10.065 -8.765 -5.398 11 HB3 MET 1 HB3 MET 1 -11.642 -9.268 -4.812 12 HG2 MET 1 HG2 MET 1 -11.879 -8.149 -6.922 13 HG3 MET 1 HG3 MET 1 -12.605 -7.170 -5.650 14 HE1 MET 1 HE1 MET 1 -9.451 -7.695 -7.897 15 HE2 MET 1 HE2 MET 1 -8.715 -7.498 -6.306 16 HE3 MET 1 HE3 MET 1 -8.493 -6.258 -7.540 17 H ASP 2 H ASP 2 -10.989 -7.130 -1.243 18 HA ASP 2 HA ASP 2 -13.921 -7.389 -1.258 19 HB2 ASP 2 HB2 ASP 2 -12.108 -8.546 0.865 20 HB3 ASP 2 HB3 ASP 2 -13.844 -8.788 0.696 21 H GLU 3 H GLU 3 -12.913 -4.950 -1.344 22 HA GLU 3 HA GLU 3 -12.613 -4.012 1.404 23 HB2 GLU 3 HB2 GLU 3 -12.105 -1.958 -0.466 24 HB3 GLU 3 HB3 GLU 3 -11.022 -2.699 0.707 25 HG2 GLU 3 HG2 GLU 3 -9.992 -3.062 -1.278 26 HG3 GLU 3 HG3 GLU 3 -10.801 -4.583 -0.998 27 H THR 4 H THR 4 -13.759 -2.452 -1.556 28 HA THR 4 HA THR 4 -15.489 -1.071 -2.012 29 HB THR 4 HB THR 4 -17.759 -1.836 -1.289 30 HG1 THR 4 HG1 THR 4 -16.383 -3.114 0.583 31 HG21 THR 4 HG21 THR 4 -17.703 -3.920 -2.574 32 HG22 THR 4 HG22 THR 4 -15.945 -3.958 -2.436 33 HG23 THR 4 HG23 THR 4 -16.730 -2.664 -3.342 34 H VAL 5 H VAL 5 -14.931 0.866 -1.089 35 HA VAL 5 HA VAL 5 -15.649 1.269 1.720 36 HB VAL 5 HB VAL 5 -13.313 1.744 1.005 37 HG11 VAL 5 HG11 VAL 5 -13.732 2.653 -1.188 38 HG12 VAL 5 HG12 VAL 5 -12.852 3.823 -0.204 39 HG13 VAL 5 HG13 VAL 5 -14.581 4.027 -0.483 40 HG21 VAL 5 HG21 VAL 5 -14.201 2.720 3.035 41 HG22 VAL 5 HG22 VAL 5 -14.871 4.069 2.119 42 HG23 VAL 5 HG23 VAL 5 -13.124 3.863 2.232 43 H LYS 6 H LYS 6 -17.610 1.222 -0.398 44 HA LYS 6 HA LYS 6 -19.648 2.180 -0.659 45 HB2 LYS 6 HB2 LYS 6 -18.609 4.291 1.190 46 HB3 LYS 6 HB3 LYS 6 -20.263 4.199 0.629 47 HG2 LYS 6 HG2 LYS 6 -20.646 2.219 1.821 48 HG3 LYS 6 HG3 LYS 6 -18.930 1.963 2.118 49 HD2 LYS 6 HD2 LYS 6 -20.054 2.764 4.125 50 HD3 LYS 6 HD3 LYS 6 -18.889 3.950 3.550 51 HE2 LYS 6 HE2 LYS 6 -20.725 5.179 2.487 52 HE3 LYS 6 HE3 LYS 6 -21.872 4.011 3.130 53 HZ1 LYS 6 HZ1 LYS 6 -21.807 5.946 4.528 54 HZ2 LYS 6 HZ2 LYS 6 -20.131 5.827 4.706 55 HZ3 LYS 6 HZ3 LYS 6 -21.137 4.642 5.372 56 H LEU 7 H LEU 7 -17.652 5.105 -0.398 57 HA LEU 7 HA LEU 7 -18.387 5.699 -3.182 58 HB2 LEU 7 HB2 LEU 7 -18.498 8.053 -2.649 59 HB3 LEU 7 HB3 LEU 7 -19.599 7.161 -1.632 60 HG LEU 7 HG LEU 7 -16.880 7.919 -0.615 61 HD11 LEU 7 HD11 LEU 7 -19.353 9.649 -0.576 62 HD12 LEU 7 HD12 LEU 7 -17.870 9.980 -1.471 63 HD13 LEU 7 HD13 LEU 7 -17.853 9.973 0.292 64 HD21 LEU 7 HD21 LEU 7 -19.558 7.419 0.666 65 HD22 LEU 7 HD22 LEU 7 -18.097 7.900 1.529 66 HD23 LEU 7 HD23 LEU 7 -18.160 6.348 0.696 67 H ASN 8 H ASN 8 -16.865 7.686 -3.894 68 HA ASN 8 HA ASN 8 -14.357 6.416 -4.196 69 HB2 ASN 8 HB2 ASN 8 -13.745 8.764 -5.188 70 HB3 ASN 8 HB3 ASN 8 -14.775 7.666 -6.076 71 HD21 ASN 8 HD21 ASN 8 -15.764 9.287 -7.212 72 HD22 ASN 8 HD22 ASN 8 -16.841 10.427 -6.490 73 H HIS 9 H HIS 9 -12.517 6.629 -3.256 74 HA HIS 9 HA HIS 9 -11.888 9.110 -1.818 75 HB2 HIS 9 HB2 HIS 9 -11.220 6.277 -1.017 76 HB3 HIS 9 HB3 HIS 9 -10.304 7.654 -0.424 77 HD1 HIS 9 HD1 HIS 9 -11.131 8.673 1.667 78 HD2 HIS 9 HD2 HIS 9 -14.099 6.500 -0.277 79 HE1 HIS 9 HE1 HIS 9 -13.108 8.691 3.215 80 HE2 HIS 9 HE2 HIS 9 -14.932 7.483 1.970 81 H THR 10 H THR 10 -9.718 9.787 -2.141 82 HA THR 10 HA THR 10 -8.870 9.082 -4.805 83 HB THR 10 HB THR 10 -7.529 11.035 -2.912 84 HG1 THR 10 HG1 THR 10 -9.104 12.329 -4.590 85 HG21 THR 10 HG21 THR 10 -7.728 11.014 -5.923 86 HG22 THR 10 HG22 THR 10 -6.335 10.434 -5.009 87 HG23 THR 10 HG23 THR 10 -6.793 12.135 -4.932 88 H CYS 11 H CYS 11 -7.112 7.912 -5.414 89 HA CYS 11 HA CYS 11 -5.889 6.250 -3.443 90 HB2 CYS 11 HB2 CYS 11 -6.202 5.478 -5.752 91 HB3 CYS 11 HB3 CYS 11 -5.087 6.707 -6.312 92 H VAL 12 H VAL 12 -4.384 6.779 -2.089 93 HA VAL 12 HA VAL 12 -2.651 8.841 -1.967 94 HB VAL 12 HB VAL 12 -3.190 6.646 -0.547 95 HG11 VAL 12 HG11 VAL 12 -0.538 6.047 -1.766 96 HG12 VAL 12 HG12 VAL 12 -1.982 5.037 -1.723 97 HG13 VAL 12 HG13 VAL 12 -1.089 5.360 -0.240 98 HG21 VAL 12 HG21 VAL 12 -2.419 8.553 0.433 99 HG22 VAL 12 HG22 VAL 12 -0.840 8.414 -0.336 100 HG23 VAL 12 HG23 VAL 12 -1.318 7.262 0.911 101 H ILE 13 H ILE 13 -2.636 6.282 -4.202 102 HA ILE 13 HA ILE 13 0.187 6.595 -4.874 103 HB ILE 13 HB ILE 13 -1.704 4.528 -5.939 104 HG12 ILE 13 HG12 ILE 13 -1.575 4.470 -3.425 105 HG13 ILE 13 HG13 ILE 13 -1.077 3.003 -4.245 106 HG21 ILE 13 HG21 ILE 13 0.348 4.850 -7.163 107 HG22 ILE 13 HG22 ILE 13 0.302 3.275 -6.366 108 HG23 ILE 13 HG23 ILE 13 1.275 4.585 -5.685 109 HD11 ILE 13 HD11 ILE 13 1.188 3.490 -3.881 110 HD12 ILE 13 HD12 ILE 13 0.331 3.689 -2.350 111 HD13 ILE 13 HD13 ILE 13 0.807 5.104 -3.289 112 H CYS 14 H CYS 14 -2.933 6.186 -6.494 113 HA CYS 14 HA CYS 14 -1.877 6.978 -9.029 114 HB2 CYS 14 HB2 CYS 14 -4.664 6.379 -8.162 115 HB3 CYS 14 HB3 CYS 14 -4.184 6.632 -9.816 116 H ASP 15 H ASP 15 -3.666 8.476 -6.473 117 HA ASP 15 HA ASP 15 -4.538 10.520 -6.112 118 HB2 ASP 15 HB2 ASP 15 -2.885 11.133 -8.483 119 HB3 ASP 15 HB3 ASP 15 -3.991 12.345 -7.867 120 H GLN 16 H GLN 16 -6.097 8.577 -7.332 121 HA GLN 16 HA GLN 16 -7.955 10.229 -8.871 122 HB2 GLN 16 HB2 GLN 16 -7.007 7.476 -9.397 123 HB3 GLN 16 HB3 GLN 16 -8.703 7.811 -9.690 124 HG2 GLN 16 HG2 GLN 16 -7.692 8.149 -11.703 125 HG3 GLN 16 HG3 GLN 16 -7.889 9.764 -11.068 126 HE21 GLN 16 HE21 GLN 16 -6.285 10.643 -12.302 127 HE22 GLN 16 HE22 GLN 16 -4.621 10.270 -12.061 128 H GLU 17 H GLU 17 -10.158 9.709 -8.610 129 HA GLU 17 HA GLU 17 -10.843 9.043 -5.887 130 HB2 GLU 17 HB2 GLU 17 -12.498 10.063 -8.188 131 HB3 GLU 17 HB3 GLU 17 -13.116 9.786 -6.573 132 HG2 GLU 17 HG2 GLU 17 -11.661 11.426 -5.650 133 HG3 GLU 17 HG3 GLU 17 -10.832 11.609 -7.189 134 H LYS 18 H LYS 18 -10.852 7.048 -5.490 135 HA LYS 18 HA LYS 18 -12.189 5.136 -7.284 136 HB2 LYS 18 HB2 LYS 18 -10.198 4.181 -5.353 137 HB3 LYS 18 HB3 LYS 18 -10.568 3.588 -6.941 138 HG2 LYS 18 HG2 LYS 18 -8.966 6.036 -6.319 139 HG3 LYS 18 HG3 LYS 18 -8.325 4.484 -6.851 140 HD2 LYS 18 HD2 LYS 18 -10.335 5.930 -8.501 141 HD3 LYS 18 HD3 LYS 18 -8.658 6.394 -8.546 142 HE2 LYS 18 HE2 LYS 18 -9.192 4.897 -10.356 143 HE3 LYS 18 HE3 LYS 18 -8.072 4.174 -9.228 144 HZ1 LYS 18 HZ1 LYS 18 -10.981 3.639 -9.230 145 HZ2 LYS 18 HZ2 LYS 18 -9.806 2.825 -8.325 146 HZ3 LYS 18 HZ3 LYS 18 -9.844 2.658 -10.004 147 H ASN 19 H ASN 19 -13.823 3.945 -6.434 148 HA ASN 19 HA ASN 19 -14.413 4.362 -3.615 149 HB2 ASN 19 HB2 ASN 19 -16.601 3.722 -4.027 150 HB3 ASN 19 HB3 ASN 19 -16.145 4.504 -5.530 151 HD21 ASN 19 HD21 ASN 19 -14.637 2.357 -6.650 152 HD22 ASN 19 HD22 ASN 19 -15.776 1.083 -7.045 153 H ARG 20 H ARG 20 -12.609 2.210 -5.316 154 HA ARG 20 HA ARG 20 -13.037 0.137 -3.277 155 HB2 ARG 20 HB2 ARG 20 -12.649 -0.182 -6.212 156 HB3 ARG 20 HB3 ARG 20 -11.932 -1.359 -5.152 157 HG2 ARG 20 HG2 ARG 20 -14.213 -1.661 -4.154 158 HG3 ARG 20 HG3 ARG 20 -14.809 -0.692 -5.499 159 HD2 ARG 20 HD2 ARG 20 -13.982 -2.166 -7.091 160 HD3 ARG 20 HD3 ARG 20 -13.036 -2.985 -5.885 161 HE ARG 20 HE ARG 20 -15.939 -3.197 -6.230 162 HH11 ARG 20 HH11 ARG 20 -13.002 -4.402 -4.716 163 HH12 ARG 20 HH12 ARG 20 -13.718 -5.922 -4.281 164 HH21 ARG 20 HH21 ARG 20 -16.871 -5.186 -5.631 165 HH22 ARG 20 HH22 ARG 20 -15.918 -6.363 -4.786 166 H GLY 21 H GLY 21 -11.307 -0.711 -2.300 167 HA2 GLY 21 HA2 GLY 21 -8.723 -0.857 -2.552 168 HA3 GLY 21 HA3 GLY 21 -8.861 0.895 -2.532 169 H ILE 22 H ILE 22 -7.393 0.343 -0.515 170 HA ILE 22 HA ILE 22 -9.177 -0.228 1.749 171 HB ILE 22 HB ILE 22 -7.545 -1.430 2.830 172 HG12 ILE 22 HG12 ILE 22 -5.499 -0.108 1.080 173 HG13 ILE 22 HG13 ILE 22 -5.905 0.399 2.687 174 HG21 ILE 22 HG21 ILE 22 -8.171 -2.666 0.834 175 HG22 ILE 22 HG22 ILE 22 -6.479 -2.969 1.228 176 HG23 ILE 22 HG23 ILE 22 -6.896 -1.867 -0.090 177 HD11 ILE 22 HD11 ILE 22 -5.157 -1.781 3.528 178 HD12 ILE 22 HD12 ILE 22 -3.882 -0.845 2.755 179 HD13 ILE 22 HD13 ILE 22 -4.639 -2.191 1.892 180 H HIS 23 H HIS 23 -7.695 0.465 3.787 181 HA HIS 23 HA HIS 23 -6.967 3.262 3.486 182 HB2 HIS 23 HB2 HIS 23 -9.307 2.313 5.143 183 HB3 HIS 23 HB3 HIS 23 -8.544 3.871 5.370 184 HD1 HIS 23 HD1 HIS 23 -9.076 5.717 3.694 185 HD2 HIS 23 HD2 HIS 23 -10.759 2.047 2.793 186 HE1 HIS 23 HE1 HIS 23 -10.687 6.164 1.818 187 HE2 HIS 23 HE2 HIS 23 -11.562 3.894 1.174 188 H LEU 24 H LEU 24 -5.000 3.174 4.382 189 HA LEU 24 HA LEU 24 -4.696 1.972 7.023 190 HB2 LEU 24 HB2 LEU 24 -2.799 2.883 4.899 191 HB3 LEU 24 HB3 LEU 24 -2.292 2.919 6.531 192 HG LEU 24 HG LEU 24 -1.946 0.676 6.614 193 HD11 LEU 24 HD11 LEU 24 -3.111 -1.018 5.442 194 HD12 LEU 24 HD12 LEU 24 -4.076 0.198 4.591 195 HD13 LEU 24 HD13 LEU 24 -4.237 0.003 6.339 196 HD21 LEU 24 HD21 LEU 24 -0.699 1.629 4.716 197 HD22 LEU 24 HD22 LEU 24 -1.952 0.996 3.650 198 HD23 LEU 24 HD23 LEU 24 -0.976 -0.108 4.619 199 H TYR 25 H TYR 25 -4.902 3.330 8.710 200 HA TYR 25 HA TYR 25 -4.739 5.191 10.011 201 HB2 TYR 25 HB2 TYR 25 -3.085 6.468 7.872 202 HB3 TYR 25 HB3 TYR 25 -3.094 6.866 9.571 203 HD1 TYR 25 HD1 TYR 25 -0.682 6.678 9.847 204 HD2 TYR 25 HD2 TYR 25 -2.923 3.415 8.314 205 HE1 TYR 25 HE1 TYR 25 1.285 5.207 10.094 206 HE2 TYR 25 HE2 TYR 25 -1.011 1.943 8.523 207 HH TYR 25 HH TYR 25 1.877 2.955 10.252 208 H THR 26 H THR 26 -4.285 7.532 7.632 209 HA THR 26 HA THR 26 -7.166 8.078 7.552 210 HB THR 26 HB THR 26 -6.323 9.911 8.615 211 HG1 THR 26 HG1 THR 26 -6.872 10.322 6.061 212 HG21 THR 26 HG21 THR 26 -3.864 9.884 6.886 213 HG22 THR 26 HG22 THR 26 -3.988 9.133 8.479 214 HG23 THR 26 HG23 THR 26 -4.157 10.884 8.308 215 H LYS 27 H LYS 27 -4.830 6.761 5.620 216 HA LYS 27 HA LYS 27 -5.527 8.318 3.238 217 HB2 LYS 27 HB2 LYS 27 -3.677 6.235 2.615 218 HB3 LYS 27 HB3 LYS 27 -3.463 7.967 2.529 219 HG2 LYS 27 HG2 LYS 27 -2.925 6.214 4.912 220 HG3 LYS 27 HG3 LYS 27 -1.745 6.968 3.847 221 HD2 LYS 27 HD2 LYS 27 -3.722 8.446 5.555 222 HD3 LYS 27 HD3 LYS 27 -2.041 8.174 5.973 223 HE2 LYS 27 HE2 LYS 27 -2.287 9.310 3.337 224 HE3 LYS 27 HE3 LYS 27 -3.137 10.301 4.517 225 HZ1 LYS 27 HZ1 LYS 27 -0.266 9.528 4.559 226 HZ2 LYS 27 HZ2 LYS 27 -1.046 10.291 5.849 227 HZ3 LYS 27 HZ3 LYS 27 -0.910 11.078 4.360 228 H PHE 28 H PHE 28 -5.224 6.870 1.204 229 HA PHE 28 HA PHE 28 -6.807 4.426 1.375 230 HB2 PHE 28 HB2 PHE 28 -8.482 6.083 0.912 231 HB3 PHE 28 HB3 PHE 28 -7.468 6.858 -0.296 232 HD1 PHE 28 HD1 PHE 28 -7.419 6.123 -2.533 233 HD2 PHE 28 HD2 PHE 28 -9.477 3.828 0.401 234 HE1 PHE 28 HE1 PHE 28 -8.375 4.730 -4.305 235 HE2 PHE 28 HE2 PHE 28 -10.450 2.435 -1.377 236 HZ PHE 28 HZ PHE 28 -9.885 2.868 -3.746 237 H ILE 29 H ILE 29 -5.416 3.011 0.530 238 HA ILE 29 HA ILE 29 -3.981 3.677 -1.931 239 HB ILE 29 HB ILE 29 -4.114 1.086 -0.359 240 HG12 ILE 29 HG12 ILE 29 -1.553 1.713 -0.173 241 HG13 ILE 29 HG13 ILE 29 -2.162 3.342 -0.438 242 HG21 ILE 29 HG21 ILE 29 -2.392 0.222 -1.837 243 HG22 ILE 29 HG22 ILE 29 -2.400 1.725 -2.756 244 HG23 ILE 29 HG23 ILE 29 -3.826 0.682 -2.763 245 HD11 ILE 29 HD11 ILE 29 -1.886 2.725 1.945 246 HD12 ILE 29 HD12 ILE 29 -3.152 1.515 1.730 247 HD13 ILE 29 HD13 ILE 29 -3.522 3.226 1.517 248 H CYS 30 H CYS 30 -5.066 3.353 -3.858 249 HA CYS 30 HA CYS 30 -7.620 2.140 -3.914 250 HB2 CYS 30 HB2 CYS 30 -7.713 2.595 -6.167 251 HB3 CYS 30 HB3 CYS 30 -6.508 3.753 -5.640 252 H LEU 31 H LEU 31 -8.253 0.295 -5.065 253 HA LEU 31 HA LEU 31 -7.278 -1.982 -3.942 254 HB2 LEU 31 HB2 LEU 31 -8.949 -3.044 -5.088 255 HB3 LEU 31 HB3 LEU 31 -9.534 -1.417 -5.003 256 HG LEU 31 HG LEU 31 -8.315 -1.318 -7.400 257 HD11 LEU 31 HD11 LEU 31 -8.808 -3.354 -8.654 258 HD12 LEU 31 HD12 LEU 31 -9.300 -4.154 -7.163 259 HD13 LEU 31 HD13 LEU 31 -7.625 -3.646 -7.379 260 HD21 LEU 31 HD21 LEU 31 -10.595 -0.646 -6.943 261 HD22 LEU 31 HD22 LEU 31 -11.099 -2.335 -6.876 262 HD23 LEU 31 HD23 LEU 31 -10.525 -1.648 -8.395 263 H ASP 32 H ASP 32 -6.222 -0.445 -6.789 264 HA ASP 32 HA ASP 32 -5.253 -2.823 -8.094 265 HB2 ASP 32 HB2 ASP 32 -6.064 -0.502 -9.105 266 HB3 ASP 32 HB3 ASP 32 -4.370 -0.111 -8.880 267 H CYS 33 H CYS 33 -4.116 -0.159 -6.261 268 HA CYS 33 HA CYS 33 -1.323 -0.721 -6.468 269 HB2 CYS 33 HB2 CYS 33 -2.894 1.226 -4.792 270 HB3 CYS 33 HB3 CYS 33 -1.163 1.051 -4.708 271 H GLU 34 H GLU 34 -3.945 -1.339 -4.265 272 HA GLU 34 HA GLU 34 -2.489 -2.242 -2.085 273 HB2 GLU 34 HB2 GLU 34 -4.936 -1.796 -2.118 274 HB3 GLU 34 HB3 GLU 34 -5.165 -3.265 -3.020 275 HG2 GLU 34 HG2 GLU 34 -3.820 -3.345 -0.396 276 HG3 GLU 34 HG3 GLU 34 -5.564 -3.259 -0.489 277 H ARG 35 H ARG 35 -3.589 -3.955 -4.962 278 HA ARG 35 HA ARG 35 -2.215 -6.324 -4.148 279 HB2 ARG 35 HB2 ARG 35 -2.849 -7.336 -6.209 280 HB3 ARG 35 HB3 ARG 35 -4.214 -6.383 -5.654 281 HG2 ARG 35 HG2 ARG 35 -3.326 -4.558 -7.211 282 HG3 ARG 35 HG3 ARG 35 -2.357 -5.836 -7.921 283 HD2 ARG 35 HD2 ARG 35 -5.322 -5.710 -7.734 284 HD3 ARG 35 HD3 ARG 35 -4.352 -5.624 -9.190 285 HE ARG 35 HE ARG 35 -3.811 -8.054 -7.917 286 HH11 ARG 35 HH11 ARG 35 -6.418 -6.441 -9.594 287 HH12 ARG 35 HH12 ARG 35 -7.175 -7.912 -10.110 288 HH21 ARG 35 HH21 ARG 35 -4.812 -10.010 -8.596 289 HH22 ARG 35 HH22 ARG 35 -6.261 -9.937 -9.549 290 H LYS 36 H LYS 36 -1.267 -3.508 -5.826 291 HA LYS 36 HA LYS 36 0.808 -4.588 -7.410 292 HB2 LYS 36 HB2 LYS 36 0.449 -1.833 -6.332 293 HB3 LYS 36 HB3 LYS 36 1.690 -2.270 -7.475 294 HG2 LYS 36 HG2 LYS 36 -0.233 -2.972 -8.974 295 HG3 LYS 36 HG3 LYS 36 -1.269 -2.169 -7.866 296 HD2 LYS 36 HD2 LYS 36 -0.393 -0.173 -8.387 297 HD3 LYS 36 HD3 LYS 36 1.077 -0.808 -9.077 298 HE2 LYS 36 HE2 LYS 36 -0.232 -1.703 -10.941 299 HE3 LYS 36 HE3 LYS 36 -1.702 -1.042 -10.230 300 HZ1 LYS 36 HZ1 LYS 36 -0.790 1.176 -10.496 301 HZ2 LYS 36 HZ2 LYS 36 -0.846 0.371 -11.985 302 HZ3 LYS 36 HZ3 LYS 36 0.626 0.539 -11.173 303 H VAL 37 H VAL 37 0.518 -3.238 -4.271 304 HA VAL 37 HA VAL 37 3.160 -2.934 -3.591 305 HB VAL 37 HB VAL 37 2.387 -2.990 -1.256 306 HG11 VAL 37 HG11 VAL 37 0.246 -1.460 -2.605 307 HG12 VAL 37 HG12 VAL 37 1.899 -1.085 -3.093 308 HG13 VAL 37 HG13 VAL 37 1.423 -0.926 -1.398 309 HG21 VAL 37 HG21 VAL 37 -0.178 -3.138 -1.041 310 HG22 VAL 37 HG22 VAL 37 0.789 -4.611 -1.082 311 HG23 VAL 37 HG23 VAL 37 -0.069 -4.081 -2.534 312 H ILE 38 H ILE 38 1.032 -5.637 -3.028 313 HA ILE 38 HA ILE 38 2.680 -7.296 -1.518 314 HB ILE 38 HB ILE 38 0.759 -8.438 -3.520 315 HG12 ILE 38 HG12 ILE 38 0.029 -6.799 -1.113 316 HG13 ILE 38 HG13 ILE 38 -0.512 -6.590 -2.760 317 HG21 ILE 38 HG21 ILE 38 1.858 -10.035 -2.169 318 HG22 ILE 38 HG22 ILE 38 0.210 -9.898 -1.554 319 HG23 ILE 38 HG23 ILE 38 1.538 -9.113 -0.704 320 HD11 ILE 38 HD11 ILE 38 -2.148 -7.589 -1.061 321 HD12 ILE 38 HD12 ILE 38 -1.199 -9.067 -1.237 322 HD13 ILE 38 HD13 ILE 38 -1.998 -8.362 -2.640 323 H SER 39 H SER 39 2.379 -6.595 -4.848 324 HA SER 39 HA SER 39 3.957 -8.840 -5.605 325 HB2 SER 39 HB2 SER 39 2.043 -8.154 -7.000 326 HB3 SER 39 HB3 SER 39 2.851 -6.629 -7.340 327 HG SER 39 HG SER 39 4.362 -8.872 -7.874 328 H THR 40 H THR 40 4.494 -5.578 -4.808 329 HA THR 40 HA THR 40 6.928 -5.264 -6.343 330 HB THR 40 HB THR 40 5.938 -3.537 -4.072 331 HG1 THR 40 HG1 THR 40 4.446 -3.895 -5.954 332 HG21 THR 40 HG21 THR 40 7.223 -1.778 -5.227 333 HG22 THR 40 HG22 THR 40 7.773 -2.970 -6.405 334 HG23 THR 40 HG23 THR 40 8.250 -3.116 -4.714 335 H SER 41 H SER 41 5.983 -6.078 -3.092 336 HA SER 41 HA SER 41 8.521 -5.834 -1.876 337 HB2 SER 41 HB2 SER 41 6.272 -5.736 -0.765 338 HB3 SER 41 HB3 SER 41 6.264 -7.475 -0.912 339 HG SER 41 HG SER 41 7.152 -6.307 1.092 340 H THR 42 H THR 42 7.446 -8.057 -4.073 341 HA THR 42 HA THR 42 8.333 -10.506 -2.937 342 HB THR 42 HB THR 42 7.957 -11.456 -5.166 343 HG1 THR 42 HG1 THR 42 8.691 -9.689 -6.430 344 HG21 THR 42 HG21 THR 42 6.038 -11.138 -3.697 345 HG22 THR 42 HG22 THR 42 5.576 -10.878 -5.379 346 HG23 THR 42 HG23 THR 42 5.825 -9.497 -4.308 347 H SER 43 H SER 43 10.459 -8.753 -2.687 348 HA SER 43 HA SER 43 12.717 -8.820 -2.784 349 HB2 SER 43 HB2 SER 43 12.453 -11.290 -2.850 350 HB3 SER 43 HB3 SER 43 12.407 -11.212 -4.610 351 HG SER 43 HG SER 43 14.521 -11.533 -3.243 352 H ASP 44 H ASP 44 13.091 -6.921 -3.746 353 HA ASP 44 HA ASP 44 13.173 -6.815 -6.656 354 HB2 ASP 44 HB2 ASP 44 12.152 -4.885 -5.723 355 HB3 ASP 44 HB3 ASP 44 13.448 -4.652 -4.565 356 HA PRO 45 HA PRO 45 17.802 -6.209 -5.776 357 HB2 PRO 45 HB2 PRO 45 18.408 -6.380 -2.967 358 HB3 PRO 45 HB3 PRO 45 18.542 -4.976 -4.005 359 HG2 PRO 45 HG2 PRO 45 16.807 -5.128 -1.996 360 HG3 PRO 45 HG3 PRO 45 16.506 -4.168 -3.443 361 HD2 PRO 45 HD2 PRO 45 15.517 -6.935 -2.787 362 HD3 PRO 45 HD3 PRO 45 14.608 -5.546 -3.417 363 H ASP 46 H ASP 46 19.645 -7.619 -5.276 364 HA ASP 46 HA ASP 46 18.780 -10.328 -4.517 365 HB2 ASP 46 HB2 ASP 46 19.597 -10.174 -6.819 366 HB3 ASP 46 HB3 ASP 46 21.102 -9.456 -6.254 367 H TYR 47 H TYR 47 21.040 -7.763 -3.910 368 HA TYR 47 HA TYR 47 22.328 -9.370 -1.823 369 HB2 TYR 47 HB2 TYR 47 23.236 -6.883 -3.234 370 HB3 TYR 47 HB3 TYR 47 24.063 -7.549 -1.835 371 HD1 TYR 47 HD1 TYR 47 25.173 -9.753 -1.996 372 HD2 TYR 47 HD2 TYR 47 23.483 -7.856 -5.406 373 HE1 TYR 47 HE1 TYR 47 26.456 -11.254 -3.459 374 HE2 TYR 47 HE2 TYR 47 24.762 -9.353 -6.878 375 HH TYR 47 HH TYR 47 26.321 -12.141 -5.759 376 H ALA 48 H ALA 48 19.938 -8.745 -1.041 377 HA ALA 48 HA ALA 48 20.114 -6.271 0.533 378 HB1 ALA 48 HB1 ALA 48 17.697 -6.487 0.843 379 HB2 ALA 48 HB2 ALA 48 17.710 -7.994 -0.072 380 HB3 ALA 48 HB3 ALA 48 18.120 -6.476 -0.869 381 H1 SER 0 H1 SER 0 8.986 -9.666 0.327 382 H2 SER 0 H2 SER 0 7.825 -10.895 0.278 383 H3 SER 0 H3 SER 0 9.010 -10.900 1.483 384 HA SER 0 HA SER 0 6.927 -8.831 1.156 385 HB2 SER 0 HB2 SER 0 7.121 -11.070 3.185 386 HB3 SER 0 HB3 SER 0 5.875 -9.824 3.137 387 HG SER 0 HG SER 0 5.322 -10.642 1.024 388 H MET 1 H MET 1 10.024 -9.255 1.928 389 HA MET 1 HA MET 1 10.057 -6.913 3.622 390 HB2 MET 1 HB2 MET 1 9.823 -8.915 5.182 391 HB3 MET 1 HB3 MET 1 11.390 -9.449 4.601 392 HG2 MET 1 HG2 MET 1 11.645 -8.331 6.705 393 HG3 MET 1 HG3 MET 1 12.392 -7.369 5.432 394 HE1 MET 1 HE1 MET 1 9.231 -7.830 7.679 395 HE2 MET 1 HE2 MET 1 8.501 -7.625 6.087 396 HE3 MET 1 HE3 MET 1 8.298 -6.379 7.316 397 H ASP 2 H ASP 2 10.779 -7.314 1.022 398 HA ASP 2 HA ASP 2 13.706 -7.627 1.039 399 HB2 ASP 2 HB2 ASP 2 11.873 -8.760 -1.080 400 HB3 ASP 2 HB3 ASP 2 13.603 -9.032 -0.907 401 H GLU 3 H GLU 3 12.745 -5.171 1.117 402 HA GLU 3 HA GLU 3 12.458 -4.236 -1.635 403 HB2 GLU 3 HB2 GLU 3 11.984 -2.166 0.226 404 HB3 GLU 3 HB3 GLU 3 10.889 -2.895 -0.942 405 HG2 GLU 3 HG2 GLU 3 9.852 -3.232 1.043 406 HG3 GLU 3 HG3 GLU 3 10.637 -4.768 0.771 407 H THR 4 H THR 4 13.632 -2.689 1.321 408 HA THR 4 HA THR 4 15.386 -1.334 1.771 409 HB THR 4 HB THR 4 17.643 -2.144 1.049 410 HG1 THR 4 HG1 THR 4 16.250 -3.395 -0.821 411 HG21 THR 4 HG21 THR 4 17.549 -4.221 2.342 412 HG22 THR 4 HG22 THR 4 15.791 -4.226 2.205 413 HG23 THR 4 HG23 THR 4 16.601 -2.944 3.106 414 H VAL 5 H VAL 5 14.866 0.608 0.844 415 HA VAL 5 HA VAL 5 15.587 0.991 -1.968 416 HB VAL 5 HB VAL 5 13.261 1.510 -1.254 417 HG11 VAL 5 HG11 VAL 5 13.697 2.418 0.935 418 HG12 VAL 5 HG12 VAL 5 12.835 3.599 -0.052 419 HG13 VAL 5 HG13 VAL 5 14.568 3.775 0.225 420 HG21 VAL 5 HG21 VAL 5 14.166 2.462 -3.288 421 HG22 VAL 5 HG22 VAL 5 14.859 3.805 -2.378 422 HG23 VAL 5 HG23 VAL 5 13.109 3.627 -2.491 423 H LYS 6 H LYS 6 17.548 0.914 0.146 424 HA LYS 6 HA LYS 6 19.603 1.838 0.405 425 HB2 LYS 6 HB2 LYS 6 18.602 3.962 -1.451 426 HB3 LYS 6 HB3 LYS 6 20.253 3.843 -0.891 427 HG2 LYS 6 HG2 LYS 6 20.599 1.852 -2.074 428 HG3 LYS 6 HG3 LYS 6 18.879 1.628 -2.371 429 HD2 LYS 6 HD2 LYS 6 20.016 2.403 -4.380 430 HD3 LYS 6 HD3 LYS 6 18.875 3.612 -3.806 431 HE2 LYS 6 HE2 LYS 6 20.738 4.809 -2.750 432 HE3 LYS 6 HE3 LYS 6 21.860 3.615 -3.391 433 HZ1 LYS 6 HZ1 LYS 6 21.826 5.549 -4.794 434 HZ2 LYS 6 HZ2 LYS 6 20.149 5.453 -4.973 435 HZ3 LYS 6 HZ3 LYS 6 21.138 4.253 -5.635 436 H LEU 7 H LEU 7 17.656 4.793 0.136 437 HA LEU 7 HA LEU 7 18.401 5.388 2.917 438 HB2 LEU 7 HB2 LEU 7 18.556 7.736 2.375 439 HB3 LEU 7 HB3 LEU 7 19.640 6.821 1.360 440 HG LEU 7 HG LEU 7 16.933 7.625 0.344 441 HD11 LEU 7 HD11 LEU 7 19.439 9.307 0.299 442 HD12 LEU 7 HD12 LEU 7 17.963 9.667 1.193 443 HD13 LEU 7 HD13 LEU 7 17.946 9.658 -0.570 444 HD21 LEU 7 HD21 LEU 7 19.598 7.068 -0.939 445 HD22 LEU 7 HD22 LEU 7 18.148 7.576 -1.803 446 HD23 LEU 7 HD23 LEU 7 18.179 6.026 -0.966 447 H ASN 8 H ASN 8 16.916 7.400 3.625 448 HA ASN 8 HA ASN 8 14.386 6.179 3.928 449 HB2 ASN 8 HB2 ASN 8 13.818 8.542 4.913 450 HB3 ASN 8 HB3 ASN 8 14.827 7.427 5.804 451 HD21 ASN 8 HD21 ASN 8 15.841 9.042 6.933 452 HD22 ASN 8 HD22 ASN 8 16.935 10.159 6.207 453 H HIS 9 H HIS 9 12.548 6.424 2.992 454 HA HIS 9 HA HIS 9 11.965 8.909 1.543 455 HB2 HIS 9 HB2 HIS 9 11.248 6.084 0.755 456 HB3 HIS 9 HB3 HIS 9 10.354 7.473 0.157 457 HD1 HIS 9 HD1 HIS 9 11.195 8.472 -1.936 458 HD2 HIS 9 HD2 HIS 9 14.128 6.252 0.009 459 HE1 HIS 9 HE1 HIS 9 13.170 8.448 -3.488 460 HE2 HIS 9 HE2 HIS 9 14.980 7.235 -2.228 461 H THR 10 H THR 10 9.804 9.625 1.863 462 HA THR 10 HA THR 10 8.947 8.946 4.532 463 HB THR 10 HB THR 10 7.635 10.911 2.633 464 HG1 THR 10 HG1 THR 10 9.249 12.173 4.311 465 HG21 THR 10 HG21 THR 10 7.845 10.903 5.642 466 HG22 THR 10 HG22 THR 10 6.438 10.347 4.735 467 HG23 THR 10 HG23 THR 10 6.931 12.039 4.650 468 H CYS 11 H CYS 11 7.172 7.807 5.144 469 HA CYS 11 HA CYS 11 5.917 6.161 3.180 470 HB2 CYS 11 HB2 CYS 11 6.217 5.391 5.491 471 HB3 CYS 11 HB3 CYS 11 5.124 6.643 6.047 472 H VAL 12 H VAL 12 4.421 6.714 1.824 473 HA VAL 12 HA VAL 12 2.725 8.807 1.698 474 HB VAL 12 HB VAL 12 3.224 6.597 0.284 475 HG11 VAL 12 HG11 VAL 12 0.561 6.050 1.507 476 HG12 VAL 12 HG12 VAL 12 1.988 5.015 1.469 477 HG13 VAL 12 HG13 VAL 12 1.101 5.347 -0.015 478 HG21 VAL 12 HG21 VAL 12 2.488 8.513 -0.702 479 HG22 VAL 12 HG22 VAL 12 0.906 8.406 0.068 480 HG23 VAL 12 HG23 VAL 12 1.364 7.240 -1.174 481 H ILE 13 H ILE 13 2.666 6.254 3.937 482 HA ILE 13 HA ILE 13 -0.152 6.617 4.613 483 HB ILE 13 HB ILE 13 1.703 4.521 5.682 484 HG12 ILE 13 HG12 ILE 13 1.573 4.459 3.167 485 HG13 ILE 13 HG13 ILE 13 1.051 3.001 3.992 486 HG21 ILE 13 HG21 ILE 13 -0.343 4.883 6.905 487 HG22 ILE 13 HG22 ILE 13 -0.324 3.304 6.114 488 HG23 ILE 13 HG23 ILE 13 -1.274 4.627 5.427 489 HD11 ILE 13 HD11 ILE 13 -1.206 3.529 3.631 490 HD12 ILE 13 HD12 ILE 13 -0.348 3.703 2.098 491 HD13 ILE 13 HD13 ILE 13 -0.797 5.132 3.031 492 H CYS 14 H CYS 14 2.965 6.158 6.232 493 HA CYS 14 HA CYS 14 1.922 6.978 8.764 494 HB2 CYS 14 HB2 CYS 14 4.698 6.324 7.903 495 HB3 CYS 14 HB3 CYS 14 4.220 6.593 9.555 496 H ASP 15 H ASP 15 3.731 8.433 6.202 497 HA ASP 15 HA ASP 15 4.641 10.458 5.833 498 HB2 ASP 15 HB2 ASP 15 3.002 11.112 8.202 499 HB3 ASP 15 HB3 ASP 15 4.132 12.300 7.580 500 H GLN 16 H GLN 16 6.166 8.494 7.061 501 HA GLN 16 HA GLN 16 8.052 10.120 8.594 502 HB2 GLN 16 HB2 GLN 16 7.055 7.387 9.127 503 HB3 GLN 16 HB3 GLN 16 8.757 7.692 9.419 504 HG2 GLN 16 HG2 GLN 16 7.751 8.054 11.433 505 HG3 GLN 16 HG3 GLN 16 7.981 9.663 10.793 506 HE21 GLN 16 HE21 GLN 16 6.395 10.579 12.022 507 HE22 GLN 16 HE22 GLN 16 4.723 10.239 11.786 508 H GLU 17 H GLU 17 10.248 9.561 8.334 509 HA GLU 17 HA GLU 17 10.919 8.873 5.614 510 HB2 GLU 17 HB2 GLU 17 12.593 9.870 7.912 511 HB3 GLU 17 HB3 GLU 17 13.205 9.576 6.295 512 HG2 GLU 17 HG2 GLU 17 11.786 11.241 5.367 513 HG3 GLU 17 HG3 GLU 17 10.953 11.441 6.903 514 H LYS 18 H LYS 18 10.895 6.875 5.222 515 HA LYS 18 HA LYS 18 12.198 4.946 7.024 516 HB2 LYS 18 HB2 LYS 18 10.189 4.024 5.094 517 HB3 LYS 18 HB3 LYS 18 10.548 3.425 6.683 518 HG2 LYS 18 HG2 LYS 18 8.993 5.902 6.058 519 HG3 LYS 18 HG3 LYS 18 8.323 4.363 6.593 520 HD2 LYS 18 HD2 LYS 18 10.362 5.777 8.241 521 HD3 LYS 18 HD3 LYS 18 8.691 6.271 8.284 522 HE2 LYS 18 HE2 LYS 18 9.196 4.770 10.098 523 HE3 LYS 18 HE3 LYS 18 8.065 4.066 8.970 524 HZ1 LYS 18 HZ1 LYS 18 10.961 3.472 8.978 525 HZ2 LYS 18 HZ2 LYS 18 9.773 2.682 8.071 526 HZ3 LYS 18 HZ3 LYS 18 9.805 2.515 9.750 527 H ASN 19 H ASN 19 13.815 3.727 6.175 528 HA ASN 19 HA ASN 19 14.405 4.123 3.353 529 HB2 ASN 19 HB2 ASN 19 16.583 3.446 3.766 530 HB3 ASN 19 HB3 ASN 19 16.139 4.240 5.266 531 HD21 ASN 19 HD21 ASN 19 14.599 2.125 6.396 532 HD22 ASN 19 HD22 ASN 19 15.714 0.830 6.790 533 H ARG 20 H ARG 20 12.564 2.014 5.053 534 HA ARG 20 HA ARG 20 12.963 -0.094 3.044 535 HB2 ARG 20 HB2 ARG 20 12.611 -0.301 5.976 536 HB3 ARG 20 HB3 ARG 20 11.832 -1.519 5.000 537 HG2 ARG 20 HG2 ARG 20 14.074 -1.883 3.922 538 HG3 ARG 20 HG3 ARG 20 14.732 -0.939 5.252 539 HD2 ARG 20 HD2 ARG 20 13.789 -2.407 6.797 540 HD3 ARG 20 HD3 ARG 20 12.889 -3.264 5.590 541 HE ARG 20 HE ARG 20 15.796 -3.442 6.003 542 HH11 ARG 20 HH11 ARG 20 12.845 -4.619 4.486 543 HH12 ARG 20 HH12 ARG 20 13.539 -6.152 4.053 544 HH21 ARG 20 HH21 ARG 20 16.697 -5.465 5.409 545 HH22 ARG 20 HH22 ARG 20 15.724 -6.624 4.561 546 H GLY 21 H GLY 21 11.208 -0.905 2.059 547 HA2 GLY 21 HA2 GLY 21 8.621 -1.000 2.311 548 HA3 GLY 21 HA3 GLY 21 8.795 0.751 2.286 549 H ILE 22 H ILE 22 7.314 0.213 0.270 550 HA ILE 22 HA ILE 22 9.089 -0.396 -1.991 551 HB ILE 22 HB ILE 22 7.433 -1.567 -3.068 552 HG12 ILE 22 HG12 ILE 22 5.410 -0.204 -1.320 553 HG13 ILE 22 HG13 ILE 22 5.825 0.291 -2.930 554 HG21 ILE 22 HG21 ILE 22 8.041 -2.810 -1.071 555 HG22 ILE 22 HG22 ILE 22 6.343 -3.084 -1.461 556 HG23 ILE 22 HG23 ILE 22 6.782 -1.986 -0.146 557 HD11 ILE 22 HD11 ILE 22 5.041 -1.880 -3.764 558 HD12 ILE 22 HD12 ILE 22 3.782 -0.920 -2.996 559 HD13 ILE 22 HD13 ILE 22 4.516 -2.273 -2.127 560 H HIS 23 H HIS 23 7.613 0.318 -4.033 561 HA HIS 23 HA HIS 23 6.941 3.128 -3.739 562 HB2 HIS 23 HB2 HIS 23 9.264 2.136 -5.394 563 HB3 HIS 23 HB3 HIS 23 8.528 3.706 -5.626 564 HD1 HIS 23 HD1 HIS 23 9.096 5.547 -3.957 565 HD2 HIS 23 HD2 HIS 23 10.710 1.852 -3.043 566 HE1 HIS 23 HE1 HIS 23 10.715 5.973 -2.083 567 HE2 HIS 23 HE2 HIS 23 11.549 3.688 -1.432 568 H LEU 24 H LEU 24 4.974 3.075 -4.635 569 HA LEU 24 HA LEU 24 4.647 1.869 -7.271 570 HB2 LEU 24 HB2 LEU 24 2.766 2.820 -5.150 571 HB3 LEU 24 HB3 LEU 24 2.259 2.861 -6.782 572 HG LEU 24 HG LEU 24 1.871 0.623 -6.858 573 HD11 LEU 24 HD11 LEU 24 3.009 -1.088 -5.681 574 HD12 LEU 24 HD12 LEU 24 3.995 0.113 -4.834 575 HD13 LEU 24 HD13 LEU 24 4.152 -0.088 -6.582 576 HD21 LEU 24 HD21 LEU 24 0.642 1.605 -4.963 577 HD22 LEU 24 HD22 LEU 24 1.884 0.955 -3.894 578 HD23 LEU 24 HD23 LEU 24 0.890 -0.137 -4.859 579 H TYR 25 H TYR 25 4.870 3.216 -8.968 580 HA TYR 25 HA TYR 25 4.746 5.077 -10.273 581 HB2 TYR 25 HB2 TYR 25 3.116 6.390 -8.137 582 HB3 TYR 25 HB3 TYR 25 3.132 6.783 -9.837 583 HD1 TYR 25 HD1 TYR 25 0.715 6.637 -10.114 584 HD2 TYR 25 HD2 TYR 25 2.899 3.341 -8.569 585 HE1 TYR 25 HE1 TYR 25 -1.278 5.199 -10.353 586 HE2 TYR 25 HE2 TYR 25 0.961 1.903 -8.769 587 HH TYR 25 HH TYR 25 -1.903 2.945 -10.505 588 H THR 26 H THR 26 4.334 7.428 -7.898 589 HA THR 26 HA THR 26 7.223 7.930 -7.820 590 HB THR 26 HB THR 26 6.409 9.771 -8.888 591 HG1 THR 26 HG1 THR 26 6.972 10.189 -6.341 592 HG21 THR 26 HG21 THR 26 3.949 9.787 -7.160 593 HG22 THR 26 HG22 THR 26 4.062 9.032 -8.752 594 HG23 THR 26 HG23 THR 26 4.258 10.780 -8.585 595 H LYS 27 H LYS 27 4.864 6.657 -5.886 596 HA LYS 27 HA LYS 27 5.588 8.213 -3.509 597 HB2 LYS 27 HB2 LYS 27 3.700 6.166 -2.875 598 HB3 LYS 27 HB3 LYS 27 3.519 7.903 -2.798 599 HG2 LYS 27 HG2 LYS 27 2.948 6.150 -5.174 600 HG3 LYS 27 HG3 LYS 27 1.782 6.931 -4.113 601 HD2 LYS 27 HD2 LYS 27 3.787 8.366 -5.827 602 HD3 LYS 27 HD3 LYS 27 2.099 8.123 -6.246 603 HE2 LYS 27 HE2 LYS 27 2.367 9.266 -3.613 604 HE3 LYS 27 HE3 LYS 27 3.230 10.239 -4.798 605 HZ1 LYS 27 HZ1 LYS 27 0.349 9.510 -4.834 606 HZ2 LYS 27 HZ2 LYS 27 1.140 10.257 -6.129 607 HZ3 LYS 27 HZ3 LYS 27 1.016 11.052 -4.643 608 H PHE 28 H PHE 28 5.256 6.773 -1.468 609 HA PHE 28 HA PHE 28 6.804 4.307 -1.633 610 HB2 PHE 28 HB2 PHE 28 8.505 5.936 -1.173 611 HB3 PHE 28 HB3 PHE 28 7.505 6.729 0.032 612 HD1 PHE 28 HD1 PHE 28 7.443 6.005 2.270 613 HD2 PHE 28 HD2 PHE 28 9.457 3.661 -0.658 614 HE1 PHE 28 HE1 PHE 28 8.377 4.601 4.045 615 HE2 PHE 28 HE2 PHE 28 10.407 2.258 1.123 616 HZ PHE 28 HZ PHE 28 9.852 2.710 3.492 617 H ILE 29 H ILE 29 5.388 2.918 -0.784 618 HA ILE 29 HA ILE 29 3.965 3.617 1.675 619 HB ILE 29 HB ILE 29 4.050 1.017 0.114 620 HG12 ILE 29 HG12 ILE 29 1.503 1.688 -0.074 621 HG13 ILE 29 HG13 ILE 29 2.139 3.308 0.183 622 HG21 ILE 29 HG21 ILE 29 2.310 0.194 1.597 623 HG22 ILE 29 HG22 ILE 29 2.350 1.700 2.511 624 HG23 ILE 29 HG23 ILE 29 3.753 0.626 2.519 625 HD11 ILE 29 HD11 ILE 29 1.852 2.689 -2.196 626 HD12 ILE 29 HD12 ILE 29 3.094 1.455 -1.978 627 HD13 ILE 29 HD13 ILE 29 3.497 3.160 -1.770 628 H CYS 30 H CYS 30 5.041 3.280 3.602 629 HA CYS 30 HA CYS 30 7.574 2.025 3.661 630 HB2 CYS 30 HB2 CYS 30 7.674 2.482 5.916 631 HB3 CYS 30 HB3 CYS 30 6.491 3.660 5.386 632 H LEU 31 H LEU 31 8.175 0.170 4.822 633 HA LEU 31 HA LEU 31 7.159 -2.095 3.707 634 HB2 LEU 31 HB2 LEU 31 8.812 -3.182 4.857 635 HB3 LEU 31 HB3 LEU 31 9.427 -1.565 4.765 636 HG LEU 31 HG LEU 31 8.209 -1.434 7.163 637 HD11 LEU 31 HD11 LEU 31 8.665 -3.477 8.423 638 HD12 LEU 31 HD12 LEU 31 9.147 -4.289 6.935 639 HD13 LEU 31 HD13 LEU 31 7.480 -3.753 7.146 640 HD21 LEU 31 HD21 LEU 31 10.504 -0.805 6.706 641 HD22 LEU 31 HD22 LEU 31 10.974 -2.505 6.646 642 HD23 LEU 31 HD23 LEU 31 10.411 -1.797 8.161 643 H ASP 32 H ASP 32 6.131 -0.530 6.549 644 HA ASP 32 HA ASP 32 5.119 -2.885 7.862 645 HB2 ASP 32 HB2 ASP 32 5.965 -0.570 8.860 646 HB3 ASP 32 HB3 ASP 32 4.275 -0.161 8.640 647 H CYS 33 H CYS 33 4.032 -0.207 6.020 648 HA CYS 33 HA CYS 33 1.229 -0.719 6.229 649 HB2 CYS 33 HB2 CYS 33 2.834 1.194 4.547 650 HB3 CYS 33 HB3 CYS 33 1.099 1.049 4.463 651 H GLU 34 H GLU 34 3.840 -1.391 4.027 652 HA GLU 34 HA GLU 34 2.367 -2.275 1.850 653 HB2 GLU 34 HB2 GLU 34 4.821 -1.872 1.880 654 HB3 GLU 34 HB3 GLU 34 5.026 -3.341 2.789 655 HG2 GLU 34 HG2 GLU 34 3.678 -3.405 0.164 656 HG3 GLU 34 HG3 GLU 34 5.423 -3.353 0.259 657 H ARG 35 H ARG 35 3.441 -3.999 4.729 658 HA ARG 35 HA ARG 35 2.018 -6.343 3.922 659 HB2 ARG 35 HB2 ARG 35 2.641 -7.359 5.988 660 HB3 ARG 35 HB3 ARG 35 4.024 -6.434 5.428 661 HG2 ARG 35 HG2 ARG 35 3.166 -4.587 6.981 662 HG3 ARG 35 HG3 ARG 35 2.174 -5.846 7.693 663 HD2 ARG 35 HD2 ARG 35 5.142 -5.771 7.514 664 HD3 ARG 35 HD3 ARG 35 4.168 -5.665 8.967 665 HE ARG 35 HE ARG 35 3.588 -8.089 7.695 666 HH11 ARG 35 HH11 ARG 35 6.227 -6.521 9.368 667 HH12 ARG 35 HH12 ARG 35 6.951 -8.004 9.901 668 HH21 ARG 35 HH21 ARG 35 4.545 -10.062 8.385 669 HH22 ARG 35 HH22 ARG 35 5.992 -10.021 9.341 670 H LYS 36 H LYS 36 1.124 -3.506 5.595 671 HA LYS 36 HA LYS 36 -0.970 -4.546 7.183 672 HB2 LYS 36 HB2 LYS 36 -0.564 -1.801 6.094 673 HB3 LYS 36 HB3 LYS 36 -1.811 -2.212 7.241 674 HG2 LYS 36 HG2 LYS 36 0.100 -2.942 8.739 675 HG3 LYS 36 HG3 LYS 36 1.148 -2.160 7.628 676 HD2 LYS 36 HD2 LYS 36 0.308 -0.148 8.147 677 HD3 LYS 36 HD3 LYS 36 -1.173 -0.756 8.839 678 HE2 LYS 36 HE2 LYS 36 0.119 -1.670 10.705 679 HE3 LYS 36 HE3 LYS 36 1.603 -1.040 9.993 680 HZ1 LYS 36 HZ1 LYS 36 0.732 1.197 10.250 681 HZ2 LYS 36 HZ2 LYS 36 0.778 0.396 11.741 682 HZ3 LYS 36 HZ3 LYS 36 -0.691 0.587 10.932 683 H VAL 37 H VAL 37 -0.656 -3.213 4.040 684 HA VAL 37 HA VAL 37 -3.293 -2.861 3.361 685 HB VAL 37 HB VAL 37 -2.522 -2.940 1.024 686 HG11 VAL 37 HG11 VAL 37 -0.355 -1.443 2.366 687 HG12 VAL 37 HG12 VAL 37 -1.999 -1.036 2.856 688 HG13 VAL 37 HG13 VAL 37 -1.522 -0.892 1.159 689 HG21 VAL 37 HG21 VAL 37 0.039 -3.135 0.811 690 HG22 VAL 37 HG22 VAL 37 -0.953 -4.592 0.859 691 HG23 VAL 37 HG23 VAL 37 -0.087 -4.068 2.308 692 H ILE 38 H ILE 38 -1.214 -5.601 2.807 693 HA ILE 38 HA ILE 38 -2.891 -7.235 1.304 694 HB ILE 38 HB ILE 38 -0.987 -8.404 3.304 695 HG12 ILE 38 HG12 ILE 38 -0.215 -6.795 0.877 696 HG13 ILE 38 HG13 ILE 38 0.320 -6.581 2.531 697 HG21 ILE 38 HG21 ILE 38 -2.117 -9.987 1.961 698 HG22 ILE 38 HG22 ILE 38 -0.468 -9.882 1.343 699 HG23 ILE 38 HG23 ILE 38 -1.783 -9.078 0.492 700 HD11 ILE 38 HD11 ILE 38 1.938 -7.623 0.847 701 HD12 ILE 38 HD12 ILE 38 0.961 -9.082 1.032 702 HD13 ILE 38 HD13 ILE 38 1.770 -8.381 2.432 703 H SER 39 H SER 39 -2.591 -6.523 4.649 704 HA SER 39 HA SER 39 -4.195 -8.749 5.396 705 HB2 SER 39 HB2 SER 39 -2.266 -8.090 6.787 706 HB3 SER 39 HB3 SER 39 -3.051 -6.550 7.122 707 HG SER 39 HG SER 39 -4.595 -8.768 7.668 708 H THR 40 H THR 40 -4.676 -5.482 4.589 709 HA THR 40 HA THR 40 -7.101 -5.118 6.122 710 HB THR 40 HB THR 40 -6.078 -3.417 3.847 711 HG1 THR 40 HG1 THR 40 -4.602 -3.797 5.742 712 HG21 THR 40 HG21 THR 40 -7.330 -1.629 4.989 713 HG22 THR 40 HG22 THR 40 -7.906 -2.803 6.173 714 HG23 THR 40 HG23 THR 40 -8.384 -2.949 4.482 715 H SER 41 H SER 41 -6.174 -5.956 2.873 716 HA SER 41 HA SER 41 -8.706 -5.673 1.656 717 HB2 SER 41 HB2 SER 41 -6.454 -5.622 0.545 718 HB3 SER 41 HB3 SER 41 -6.477 -7.361 0.700 719 HG SER 41 HG SER 41 -7.349 -6.173 -1.308 720 H THR 42 H THR 42 -7.670 -7.906 3.861 721 HA THR 42 HA THR 42 -8.599 -10.340 2.735 722 HB THR 42 HB THR 42 -8.240 -11.286 4.970 723 HG1 THR 42 HG1 THR 42 -8.933 -9.515 6.231 724 HG21 THR 42 HG21 THR 42 -6.317 -11.016 3.497 725 HG22 THR 42 HG22 THR 42 -5.850 -10.756 5.177 726 HG23 THR 42 HG23 THR 42 -6.070 -9.375 4.100 727 H SER 43 H SER 43 -10.695 -8.554 2.478 728 HA SER 43 HA SER 43 -12.952 -8.581 2.576 729 HB2 SER 43 HB2 SER 43 -12.733 -11.055 2.651 730 HB3 SER 43 HB3 SER 43 -12.689 -10.971 4.411 731 HG SER 43 HG SER 43 -14.808 -11.251 3.032 732 H ASP 44 H ASP 44 -13.296 -6.671 3.528 733 HA ASP 44 HA ASP 44 -13.371 -6.554 6.437 734 HB2 ASP 44 HB2 ASP 44 -12.315 -4.650 5.493 735 HB3 ASP 44 HB3 ASP 44 -13.613 -4.394 4.342 736 HA PRO 45 HA PRO 45 -17.991 -5.870 5.561 737 HB2 PRO 45 HB2 PRO 45 -18.600 -6.036 2.753 738 HB3 PRO 45 HB3 PRO 45 -18.709 -4.626 3.787 739 HG2 PRO 45 HG2 PRO 45 -16.980 -4.817 1.777 740 HG3 PRO 45 HG3 PRO 45 -16.660 -3.858 3.220 741 HD2 PRO 45 HD2 PRO 45 -15.721 -6.645 2.571 742 HD3 PRO 45 HD3 PRO 45 -14.787 -5.271 3.195 743 H ASP 46 H ASP 46 -19.860 -7.249 5.065 744 HA ASP 46 HA ASP 46 -19.040 -9.973 4.314 745 HB2 ASP 46 HB2 ASP 46 -19.854 -9.799 6.614 746 HB3 ASP 46 HB3 ASP 46 -21.347 -9.055 6.046 747 H TYR 47 H TYR 47 -21.254 -7.374 3.698 748 HA TYR 47 HA TYR 47 -22.572 -8.963 1.616 749 HB2 TYR 47 HB2 TYR 47 -23.435 -6.457 3.022 750 HB3 TYR 47 HB3 TYR 47 -24.276 -7.113 1.626 751 HD1 TYR 47 HD1 TYR 47 -25.423 -9.295 1.795 752 HD2 TYR 47 HD2 TYR 47 -23.699 -7.417 5.198 753 HE1 TYR 47 HE1 TYR 47 -26.732 -10.766 3.262 754 HE2 TYR 47 HE2 TYR 47 -25.004 -8.886 6.677 755 HH TYR 47 HH TYR 47 -26.610 -11.652 5.567 756 H ALA 48 H ALA 48 -20.173 -8.381 0.833 757 HA ALA 48 HA ALA 48 -20.304 -5.906 -0.742 758 HB1 ALA 48 HB1 ALA 48 -17.892 -6.169 -1.056 759 HB2 ALA 48 HB2 ALA 48 -17.933 -7.673 -0.136 760 HB3 ALA 48 HB3 ALA 48 -18.313 -6.145 0.655 Start of MODEL 2 1 H1 SER 0 H1 SER 0 -5.360 18.249 11.976 2 H2 SER 0 H2 SER 0 -6.771 17.559 11.354 3 H3 SER 0 H3 SER 0 -6.773 19.167 11.875 4 HA SER 0 HA SER 0 -6.726 19.053 9.487 5 HB2 SER 0 HB2 SER 0 -4.569 20.380 9.183 6 HB3 SER 0 HB3 SER 0 -5.680 20.983 10.411 7 HG SER 0 HG SER 0 -3.418 20.845 11.054 8 H MET 1 H MET 1 -3.628 17.854 10.781 9 HA MET 1 HA MET 1 -2.959 16.605 8.280 10 HB2 MET 1 HB2 MET 1 -1.243 17.617 9.735 11 HB3 MET 1 HB3 MET 1 -1.606 16.432 10.980 12 HG2 MET 1 HG2 MET 1 0.412 15.856 9.747 13 HG3 MET 1 HG3 MET 1 -0.849 14.641 9.532 14 HE1 MET 1 HE1 MET 1 0.504 13.646 7.470 15 HE2 MET 1 HE2 MET 1 1.749 14.876 7.681 16 HE3 MET 1 HE3 MET 1 1.034 14.610 6.092 17 H ASP 2 H ASP 2 -3.010 14.489 7.761 18 HA ASP 2 HA ASP 2 -3.558 12.297 7.772 19 HB2 ASP 2 HB2 ASP 2 -1.918 12.307 9.701 20 HB3 ASP 2 HB3 ASP 2 -3.302 12.393 10.782 21 H GLU 3 H GLU 3 -5.628 13.864 7.446 22 HA GLU 3 HA GLU 3 -7.823 12.243 7.995 23 HB2 GLU 3 HB2 GLU 3 -7.535 13.143 10.324 24 HB3 GLU 3 HB3 GLU 3 -7.825 14.755 9.687 25 HG2 GLU 3 HG2 GLU 3 -10.045 13.953 8.884 26 HG3 GLU 3 HG3 GLU 3 -9.745 12.444 9.742 27 H THR 4 H THR 4 -8.281 12.647 5.820 28 HA THR 4 HA THR 4 -9.528 15.201 5.267 29 HB THR 4 HB THR 4 -7.182 14.347 3.563 30 HG1 THR 4 HG1 THR 4 -7.381 15.937 5.811 31 HG21 THR 4 HG21 THR 4 -8.974 16.775 3.489 32 HG22 THR 4 HG22 THR 4 -8.898 15.491 2.282 33 HG23 THR 4 HG23 THR 4 -7.518 16.567 2.514 34 H VAL 5 H VAL 5 -8.205 12.464 3.367 35 HA VAL 5 HA VAL 5 -10.169 12.684 1.386 36 HB VAL 5 HB VAL 5 -9.397 10.419 0.624 37 HG11 VAL 5 HG11 VAL 5 -7.182 11.220 -0.053 38 HG12 VAL 5 HG12 VAL 5 -7.282 12.508 1.147 39 HG13 VAL 5 HG13 VAL 5 -8.404 12.482 -0.215 40 HG21 VAL 5 HG21 VAL 5 -7.418 9.477 1.687 41 HG22 VAL 5 HG22 VAL 5 -8.774 9.531 2.814 42 HG23 VAL 5 HG23 VAL 5 -7.484 10.724 2.931 43 H LYS 6 H LYS 6 -12.191 12.108 1.293 44 HA LYS 6 HA LYS 6 -13.133 9.777 2.795 45 HB2 LYS 6 HB2 LYS 6 -14.355 12.497 2.834 46 HB3 LYS 6 HB3 LYS 6 -15.245 11.056 3.291 47 HG2 LYS 6 HG2 LYS 6 -13.326 10.636 4.903 48 HG3 LYS 6 HG3 LYS 6 -12.880 12.313 4.612 49 HD2 LYS 6 HD2 LYS 6 -15.028 13.065 5.386 50 HD3 LYS 6 HD3 LYS 6 -15.591 11.398 5.547 51 HE2 LYS 6 HE2 LYS 6 -14.987 12.177 7.705 52 HE3 LYS 6 HE3 LYS 6 -13.773 11.016 7.197 53 HZ1 LYS 6 HZ1 LYS 6 -12.290 12.799 6.650 54 HZ2 LYS 6 HZ2 LYS 6 -12.820 13.010 8.241 55 HZ3 LYS 6 HZ3 LYS 6 -13.464 13.964 7.002 56 H LEU 7 H LEU 7 -15.605 9.468 2.083 57 HA LEU 7 HA LEU 7 -16.871 8.562 0.446 58 HB2 LEU 7 HB2 LEU 7 -16.046 11.090 -0.898 59 HB3 LEU 7 HB3 LEU 7 -17.157 9.967 -1.642 60 HG LEU 7 HG LEU 7 -18.558 10.264 0.507 61 HD11 LEU 7 HD11 LEU 7 -16.848 11.421 1.813 62 HD12 LEU 7 HD12 LEU 7 -18.295 12.409 1.617 63 HD13 LEU 7 HD13 LEU 7 -16.860 12.747 0.652 64 HD21 LEU 7 HD21 LEU 7 -19.268 11.055 -1.655 65 HD22 LEU 7 HD22 LEU 7 -18.235 12.476 -1.511 66 HD23 LEU 7 HD23 LEU 7 -19.617 12.279 -0.436 67 H ASN 8 H ASN 8 -15.221 9.884 -2.239 68 HA ASN 8 HA ASN 8 -14.080 7.296 -2.909 69 HB2 ASN 8 HB2 ASN 8 -13.774 9.920 -4.385 70 HB3 ASN 8 HB3 ASN 8 -13.435 8.339 -5.010 71 HD21 ASN 8 HD21 ASN 8 -15.780 10.686 -4.490 72 HD22 ASN 8 HD22 ASN 8 -17.074 9.817 -5.211 73 H HIS 9 H HIS 9 -12.471 6.969 -1.442 74 HA HIS 9 HA HIS 9 -10.672 8.995 -0.596 75 HB2 HIS 9 HB2 HIS 9 -10.507 5.981 -0.431 76 HB3 HIS 9 HB3 HIS 9 -9.349 7.068 0.322 77 HD1 HIS 9 HD1 HIS 9 -9.849 7.670 2.679 78 HD2 HIS 9 HD2 HIS 9 -13.245 6.421 0.634 79 HE1 HIS 9 HE1 HIS 9 -11.679 7.580 4.400 80 HE2 HIS 9 HE2 HIS 9 -13.726 6.818 3.141 81 H THR 10 H THR 10 -9.213 9.902 -1.870 82 HA THR 10 HA THR 10 -8.519 9.074 -4.407 83 HB THR 10 HB THR 10 -6.682 10.668 -2.631 84 HG1 THR 10 HG1 THR 10 -7.995 12.481 -3.439 85 HG21 THR 10 HG21 THR 10 -7.336 10.795 -5.574 86 HG22 THR 10 HG22 THR 10 -5.912 10.019 -4.886 87 HG23 THR 10 HG23 THR 10 -6.122 11.769 -4.732 88 H CYS 11 H CYS 11 -6.875 7.824 -5.318 89 HA CYS 11 HA CYS 11 -5.641 5.937 -3.561 90 HB2 CYS 11 HB2 CYS 11 -6.042 5.314 -5.888 91 HB3 CYS 11 HB3 CYS 11 -4.938 6.564 -6.405 92 H VAL 12 H VAL 12 -4.221 6.471 -2.167 93 HA VAL 12 HA VAL 12 -2.461 8.496 -1.993 94 HB VAL 12 HB VAL 12 -3.149 6.335 -0.614 95 HG11 VAL 12 HG11 VAL 12 -1.144 4.958 -0.176 96 HG12 VAL 12 HG12 VAL 12 -0.434 5.639 -1.642 97 HG13 VAL 12 HG13 VAL 12 -1.923 4.694 -1.734 98 HG21 VAL 12 HG21 VAL 12 -1.241 6.921 0.912 99 HG22 VAL 12 HG22 VAL 12 -2.441 8.143 0.489 100 HG23 VAL 12 HG23 VAL 12 -0.862 8.153 -0.291 101 H ILE 13 H ILE 13 -2.392 5.963 -4.269 102 HA ILE 13 HA ILE 13 0.450 6.308 -4.874 103 HB ILE 13 HB ILE 13 -1.411 4.275 -6.073 104 HG12 ILE 13 HG12 ILE 13 -1.362 4.145 -3.551 105 HG13 ILE 13 HG13 ILE 13 -0.849 2.696 -4.402 106 HG21 ILE 13 HG21 ILE 13 0.626 3.031 -6.484 107 HG22 ILE 13 HG22 ILE 13 1.568 4.320 -5.729 108 HG23 ILE 13 HG23 ILE 13 0.687 4.629 -7.227 109 HD11 ILE 13 HD11 ILE 13 1.385 3.080 -3.911 110 HD12 ILE 13 HD12 ILE 13 0.502 3.410 -2.417 111 HD13 ILE 13 HD13 ILE 13 1.076 4.742 -3.420 112 H CYS 14 H CYS 14 -2.665 5.990 -6.559 113 HA CYS 14 HA CYS 14 -1.595 6.928 -9.047 114 HB2 CYS 14 HB2 CYS 14 -4.405 6.381 -8.205 115 HB3 CYS 14 HB3 CYS 14 -3.955 6.775 -9.836 116 H ASP 15 H ASP 15 -3.305 8.355 -6.402 117 HA ASP 15 HA ASP 15 -3.885 10.445 -5.847 118 HB2 ASP 15 HB2 ASP 15 -2.341 11.123 -8.273 119 HB3 ASP 15 HB3 ASP 15 -3.130 12.355 -7.318 120 H GLN 16 H GLN 16 -5.735 8.842 -7.212 121 HA GLN 16 HA GLN 16 -7.455 10.990 -8.222 122 HB2 GLN 16 HB2 GLN 16 -7.184 8.199 -9.273 123 HB3 GLN 16 HB3 GLN 16 -8.656 9.118 -9.503 124 HG2 GLN 16 HG2 GLN 16 -7.516 9.453 -11.427 125 HG3 GLN 16 HG3 GLN 16 -7.114 10.888 -10.513 126 HE21 GLN 16 HE21 GLN 16 -5.249 11.262 -11.660 127 HE22 GLN 16 HE22 GLN 16 -3.859 10.252 -11.515 128 H GLU 17 H GLU 17 -9.587 10.865 -7.580 129 HA GLU 17 HA GLU 17 -10.126 9.790 -5.052 130 HB2 GLU 17 HB2 GLU 17 -11.927 11.033 -7.125 131 HB3 GLU 17 HB3 GLU 17 -12.455 10.590 -5.510 132 HG2 GLU 17 HG2 GLU 17 -10.968 12.151 -4.507 133 HG3 GLU 17 HG3 GLU 17 -10.184 12.468 -6.048 134 H LYS 18 H LYS 18 -10.324 7.793 -4.714 135 HA LYS 18 HA LYS 18 -11.528 6.014 -6.702 136 HB2 LYS 18 HB2 LYS 18 -9.018 5.960 -5.228 137 HB3 LYS 18 HB3 LYS 18 -9.859 4.426 -5.275 138 HG2 LYS 18 HG2 LYS 18 -8.161 4.724 -7.056 139 HG3 LYS 18 HG3 LYS 18 -9.768 4.398 -7.635 140 HD2 LYS 18 HD2 LYS 18 -10.061 6.815 -8.042 141 HD3 LYS 18 HD3 LYS 18 -8.368 7.032 -7.637 142 HE2 LYS 18 HE2 LYS 18 -8.660 6.909 -10.027 143 HE3 LYS 18 HE3 LYS 18 -7.793 5.509 -9.432 144 HZ1 LYS 18 HZ1 LYS 18 -10.674 5.558 -10.097 145 HZ2 LYS 18 HZ2 LYS 18 -9.801 4.207 -9.578 146 HZ3 LYS 18 HZ3 LYS 18 -9.459 4.909 -11.074 147 H ASN 19 H ASN 19 -13.161 4.696 -5.996 148 HA ASN 19 HA ASN 19 -13.767 4.873 -3.128 149 HB2 ASN 19 HB2 ASN 19 -16.059 4.467 -3.648 150 HB3 ASN 19 HB3 ASN 19 -15.479 5.685 -4.772 151 HD21 ASN 19 HD21 ASN 19 -15.266 5.202 -6.938 152 HD22 ASN 19 HD22 ASN 19 -15.987 3.763 -7.645 153 H ARG 20 H ARG 20 -12.488 2.768 -5.378 154 HA ARG 20 HA ARG 20 -13.174 0.476 -3.671 155 HB2 ARG 20 HB2 ARG 20 -12.582 0.538 -6.622 156 HB3 ARG 20 HB3 ARG 20 -12.505 -0.928 -5.680 157 HG2 ARG 20 HG2 ARG 20 -14.850 -0.631 -5.073 158 HG3 ARG 20 HG3 ARG 20 -14.896 0.808 -6.083 159 HD2 ARG 20 HD2 ARG 20 -14.341 -0.419 -8.014 160 HD3 ARG 20 HD3 ARG 20 -14.047 -1.829 -7.040 161 HE ARG 20 HE ARG 20 -16.706 -0.984 -6.676 162 HH11 ARG 20 HH11 ARG 20 -14.656 -2.537 -9.045 163 HH12 ARG 20 HH12 ARG 20 -15.963 -3.369 -9.823 164 HH21 ARG 20 HH21 ARG 20 -18.441 -2.059 -7.706 165 HH22 ARG 20 HH22 ARG 20 -18.122 -3.089 -9.068 166 H GLY 21 H GLY 21 -11.639 -0.087 -2.383 167 HA2 GLY 21 HA2 GLY 21 -9.068 -0.847 -2.903 168 HA3 GLY 21 HA3 GLY 21 -8.959 0.894 -2.655 169 H ILE 22 H ILE 22 -7.613 0.203 -0.724 170 HA ILE 22 HA ILE 22 -9.408 -0.405 1.518 171 HB ILE 22 HB ILE 22 -7.808 -1.692 2.546 172 HG12 ILE 22 HG12 ILE 22 -5.745 -0.275 0.890 173 HG13 ILE 22 HG13 ILE 22 -6.119 0.059 2.545 174 HG21 ILE 22 HG21 ILE 22 -8.402 -2.877 0.553 175 HG22 ILE 22 HG22 ILE 22 -6.675 -3.113 0.844 176 HG23 ILE 22 HG23 ILE 22 -7.215 -1.978 -0.393 177 HD11 ILE 22 HD11 ILE 22 -4.087 -1.267 2.282 178 HD12 ILE 22 HD12 ILE 22 -5.049 -2.545 1.538 179 HD13 ILE 22 HD13 ILE 22 -5.328 -2.093 3.222 180 H HIS 23 H HIS 23 -7.938 0.281 3.575 181 HA HIS 23 HA HIS 23 -6.859 2.914 3.240 182 HB2 HIS 23 HB2 HIS 23 -8.565 4.055 4.646 183 HB3 HIS 23 HB3 HIS 23 -9.192 3.519 3.105 184 HD1 HIS 23 HD1 HIS 23 -9.584 3.070 6.771 185 HD2 HIS 23 HD2 HIS 23 -11.019 1.429 3.255 186 HE1 HIS 23 HE1 HIS 23 -11.585 1.707 7.439 187 HE2 HIS 23 HE2 HIS 23 -12.305 0.548 5.323 188 H LEU 24 H LEU 24 -5.186 2.913 4.565 189 HA LEU 24 HA LEU 24 -5.495 1.847 7.257 190 HB2 LEU 24 HB2 LEU 24 -2.968 2.712 5.869 191 HB3 LEU 24 HB3 LEU 24 -3.136 1.810 7.322 192 HG LEU 24 HG LEU 24 -4.014 0.678 4.700 193 HD11 LEU 24 HD11 LEU 24 -1.675 1.232 4.484 194 HD12 LEU 24 HD12 LEU 24 -1.845 -0.511 4.692 195 HD13 LEU 24 HD13 LEU 24 -1.323 0.493 6.046 196 HD21 LEU 24 HD21 LEU 24 -3.753 -1.445 5.876 197 HD22 LEU 24 HD22 LEU 24 -4.890 -0.393 6.723 198 HD23 LEU 24 HD23 LEU 24 -3.243 -0.585 7.329 199 H TYR 25 H TYR 25 -5.072 3.278 8.970 200 HA TYR 25 HA TYR 25 -4.900 5.282 10.032 201 HB2 TYR 25 HB2 TYR 25 -3.429 6.225 7.598 202 HB3 TYR 25 HB3 TYR 25 -3.365 6.958 9.185 203 HD1 TYR 25 HD1 TYR 25 -0.819 6.793 9.032 204 HD2 TYR 25 HD2 TYR 25 -3.298 3.327 9.013 205 HE1 TYR 25 HE1 TYR 25 1.134 5.379 9.550 206 HE2 TYR 25 HE2 TYR 25 -1.372 1.933 9.512 207 HH TYR 25 HH TYR 25 1.683 3.264 10.438 208 H THR 26 H THR 26 -4.817 7.514 7.578 209 HA THR 26 HA THR 26 -7.752 7.583 7.422 210 HB THR 26 HB THR 26 -7.013 9.599 8.383 211 HG1 THR 26 HG1 THR 26 -8.142 9.618 5.998 212 HG21 THR 26 HG21 THR 26 -4.962 9.741 6.188 213 HG22 THR 26 HG22 THR 26 -4.659 9.302 7.873 214 HG23 THR 26 HG23 THR 26 -5.196 10.939 7.463 215 H LYS 27 H LYS 27 -5.105 6.608 5.609 216 HA LYS 27 HA LYS 27 -6.032 7.953 3.167 217 HB2 LYS 27 HB2 LYS 27 -3.729 7.146 2.292 218 HB3 LYS 27 HB3 LYS 27 -3.812 8.530 3.362 219 HG2 LYS 27 HG2 LYS 27 -3.362 5.804 4.479 220 HG3 LYS 27 HG3 LYS 27 -2.033 6.709 3.748 221 HD2 LYS 27 HD2 LYS 27 -3.788 7.633 6.015 222 HD3 LYS 27 HD3 LYS 27 -2.115 7.113 6.144 223 HE2 LYS 27 HE2 LYS 27 -1.788 8.991 4.303 224 HE3 LYS 27 HE3 LYS 27 -3.260 9.614 5.034 225 HZ1 LYS 27 HZ1 LYS 27 -2.226 9.774 7.145 226 HZ2 LYS 27 HZ2 LYS 27 -1.163 10.491 6.032 227 HZ3 LYS 27 HZ3 LYS 27 -0.852 8.935 6.617 228 H PHE 28 H PHE 28 -5.017 6.485 1.208 229 HA PHE 28 HA PHE 28 -6.450 3.956 1.374 230 HB2 PHE 28 HB2 PHE 28 -8.174 5.527 0.988 231 HB3 PHE 28 HB3 PHE 28 -7.201 6.418 -0.171 232 HD1 PHE 28 HD1 PHE 28 -6.781 5.359 -2.441 233 HD2 PHE 28 HD2 PHE 28 -9.609 3.793 0.327 234 HE1 PHE 28 HE1 PHE 28 -7.882 4.150 -4.258 235 HE2 PHE 28 HE2 PHE 28 -10.716 2.574 -1.499 236 HZ PHE 28 HZ PHE 28 -9.846 2.750 -3.802 237 H ILE 29 H ILE 29 -5.250 2.507 0.276 238 HA ILE 29 HA ILE 29 -3.807 3.408 -2.113 239 HB ILE 29 HB ILE 29 -3.887 0.651 -0.841 240 HG12 ILE 29 HG12 ILE 29 -1.384 1.231 -0.446 241 HG13 ILE 29 HG13 ILE 29 -1.901 2.901 -0.634 242 HG21 ILE 29 HG21 ILE 29 -3.545 0.559 -3.239 243 HG22 ILE 29 HG22 ILE 29 -2.064 0.112 -2.384 244 HG23 ILE 29 HG23 ILE 29 -2.213 1.712 -3.107 245 HD11 ILE 29 HD11 ILE 29 -3.373 2.712 1.248 246 HD12 ILE 29 HD12 ILE 29 -1.765 2.153 1.713 247 HD13 ILE 29 HD13 ILE 29 -3.045 0.986 1.380 248 H CYS 30 H CYS 30 -4.867 3.159 -4.100 249 HA CYS 30 HA CYS 30 -7.441 1.996 -4.176 250 HB2 CYS 30 HB2 CYS 30 -7.574 2.471 -6.427 251 HB3 CYS 30 HB3 CYS 30 -6.374 3.620 -5.904 252 H LEU 31 H LEU 31 -8.147 0.141 -5.144 253 HA LEU 31 HA LEU 31 -7.039 -2.063 -3.987 254 HB2 LEU 31 HB2 LEU 31 -8.805 -3.206 -4.908 255 HB3 LEU 31 HB3 LEU 31 -9.400 -1.589 -4.781 256 HG LEU 31 HG LEU 31 -8.543 -1.478 -7.300 257 HD11 LEU 31 HD11 LEU 31 -9.060 -3.564 -8.476 258 HD12 LEU 31 HD12 LEU 31 -9.285 -4.380 -6.928 259 HD13 LEU 31 HD13 LEU 31 -7.696 -3.758 -7.375 260 HD21 LEU 31 HD21 LEU 31 -11.152 -2.654 -6.369 261 HD22 LEU 31 HD22 LEU 31 -10.843 -2.042 -7.992 262 HD23 LEU 31 HD23 LEU 31 -10.776 -0.947 -6.613 263 H ASP 32 H ASP 32 -6.225 -0.645 -6.935 264 HA ASP 32 HA ASP 32 -5.306 -3.013 -8.287 265 HB2 ASP 32 HB2 ASP 32 -6.235 -0.901 -9.360 266 HB3 ASP 32 HB3 ASP 32 -4.702 -0.174 -8.958 267 H CYS 33 H CYS 33 -4.064 -0.237 -6.695 268 HA CYS 33 HA CYS 33 -1.316 -0.910 -6.885 269 HB2 CYS 33 HB2 CYS 33 -2.728 1.140 -5.192 270 HB3 CYS 33 HB3 CYS 33 -1.003 0.889 -5.193 271 H GLU 34 H GLU 34 -3.893 -1.370 -4.643 272 HA GLU 34 HA GLU 34 -2.437 -2.101 -2.404 273 HB2 GLU 34 HB2 GLU 34 -4.891 -1.586 -2.527 274 HB3 GLU 34 HB3 GLU 34 -5.135 -3.170 -3.207 275 HG2 GLU 34 HG2 GLU 34 -3.819 -2.848 -0.581 276 HG3 GLU 34 HG3 GLU 34 -5.553 -2.829 -0.728 277 H ARG 35 H ARG 35 -3.573 -4.026 -5.128 278 HA ARG 35 HA ARG 35 -2.231 -6.359 -4.152 279 HB2 ARG 35 HB2 ARG 35 -2.720 -7.390 -6.332 280 HB3 ARG 35 HB3 ARG 35 -4.152 -6.678 -5.607 281 HG2 ARG 35 HG2 ARG 35 -3.883 -4.716 -7.065 282 HG3 ARG 35 HG3 ARG 35 -2.507 -5.501 -7.819 283 HD2 ARG 35 HD2 ARG 35 -5.277 -6.588 -7.761 284 HD3 ARG 35 HD3 ARG 35 -4.560 -5.749 -9.125 285 HE ARG 35 HE ARG 35 -2.865 -7.842 -8.495 286 HH11 ARG 35 HH11 ARG 35 -6.179 -7.462 -9.552 287 HH12 ARG 35 HH12 ARG 35 -6.215 -8.977 -10.394 288 HH21 ARG 35 HH21 ARG 35 -2.903 -9.820 -9.605 289 HH22 ARG 35 HH22 ARG 35 -4.347 -10.319 -10.427 290 H LYS 36 H LYS 36 -1.263 -3.655 -5.992 291 HA LYS 36 HA LYS 36 0.800 -4.763 -7.520 292 HB2 LYS 36 HB2 LYS 36 0.338 -1.998 -6.437 293 HB3 LYS 36 HB3 LYS 36 1.664 -2.402 -7.483 294 HG2 LYS 36 HG2 LYS 36 -0.125 -3.168 -9.118 295 HG3 LYS 36 HG3 LYS 36 -1.249 -2.359 -8.101 296 HD2 LYS 36 HD2 LYS 36 -0.104 -0.343 -8.464 297 HD3 LYS 36 HD3 LYS 36 1.151 -1.117 -9.397 298 HE2 LYS 36 HE2 LYS 36 -0.575 -1.796 -11.034 299 HE3 LYS 36 HE3 LYS 36 -1.775 -0.900 -10.105 300 HZ1 LYS 36 HZ1 LYS 36 -0.951 0.362 -12.000 301 HZ2 LYS 36 HZ2 LYS 36 0.624 0.284 -11.393 302 HZ3 LYS 36 HZ3 LYS 36 -0.569 1.134 -10.543 303 H VAL 37 H VAL 37 0.529 -3.324 -4.399 304 HA VAL 37 HA VAL 37 3.163 -3.035 -3.721 305 HB VAL 37 HB VAL 37 2.453 -3.072 -1.382 306 HG11 VAL 37 HG11 VAL 37 0.414 -1.580 -3.015 307 HG12 VAL 37 HG12 VAL 37 2.092 -1.057 -2.858 308 HG13 VAL 37 HG13 VAL 37 1.057 -1.139 -1.431 309 HG21 VAL 37 HG21 VAL 37 0.896 -4.703 -1.104 310 HG22 VAL 37 HG22 VAL 37 -0.028 -4.222 -2.532 311 HG23 VAL 37 HG23 VAL 37 -0.100 -3.247 -1.057 312 H ILE 38 H ILE 38 1.053 -5.734 -3.128 313 HA ILE 38 HA ILE 38 2.649 -7.323 -1.498 314 HB ILE 38 HB ILE 38 0.765 -8.500 -3.516 315 HG12 ILE 38 HG12 ILE 38 0.029 -6.827 -1.135 316 HG13 ILE 38 HG13 ILE 38 -0.491 -6.630 -2.791 317 HG21 ILE 38 HG21 ILE 38 0.170 -9.923 -1.523 318 HG22 ILE 38 HG22 ILE 38 1.530 -9.164 -0.696 319 HG23 ILE 38 HG23 ILE 38 1.806 -10.110 -2.153 320 HD11 ILE 38 HD11 ILE 38 -1.996 -8.386 -2.668 321 HD12 ILE 38 HD12 ILE 38 -2.153 -7.595 -1.097 322 HD13 ILE 38 HD13 ILE 38 -1.217 -9.081 -1.252 323 H SER 39 H SER 39 2.371 -6.843 -4.866 324 HA SER 39 HA SER 39 3.980 -9.117 -5.477 325 HB2 SER 39 HB2 SER 39 2.027 -8.445 -6.881 326 HB3 SER 39 HB3 SER 39 2.928 -7.011 -7.366 327 HG SER 39 HG SER 39 3.751 -9.698 -7.781 328 H THR 40 H THR 40 4.355 -5.731 -5.103 329 HA THR 40 HA THR 40 6.818 -5.512 -6.585 330 HB THR 40 HB THR 40 5.360 -3.533 -4.832 331 HG1 THR 40 HG1 THR 40 4.198 -4.136 -6.702 332 HG21 THR 40 HG21 THR 40 7.758 -2.993 -5.073 333 HG22 THR 40 HG22 THR 40 6.714 -1.813 -5.864 334 HG23 THR 40 HG23 THR 40 7.568 -3.021 -6.827 335 H SER 41 H SER 41 5.905 -6.038 -3.258 336 HA SER 41 HA SER 41 8.005 -4.700 -1.994 337 HB2 SER 41 HB2 SER 41 7.347 -6.548 -0.159 338 HB3 SER 41 HB3 SER 41 6.370 -5.120 -0.493 339 HG SER 41 HG SER 41 4.847 -6.449 -1.000 340 H THR 42 H THR 42 7.694 -8.257 -2.335 341 HA THR 42 HA THR 42 10.489 -8.412 -1.485 342 HB THR 42 HB THR 42 10.005 -10.822 -1.067 343 HG1 THR 42 HG1 THR 42 7.257 -10.331 -1.223 344 HG21 THR 42 HG21 THR 42 8.168 -8.827 0.266 345 HG22 THR 42 HG22 THR 42 9.825 -9.205 0.741 346 HG23 THR 42 HG23 THR 42 8.562 -10.426 0.899 347 H SER 43 H SER 43 8.505 -8.855 -4.230 348 HA SER 43 HA SER 43 10.480 -10.484 -5.616 349 HB2 SER 43 HB2 SER 43 8.035 -10.909 -5.901 350 HB3 SER 43 HB3 SER 43 7.878 -9.322 -6.649 351 HG SER 43 HG SER 43 9.368 -10.051 -8.260 352 H ASP 44 H ASP 44 11.519 -8.091 -4.802 353 HA ASP 44 HA ASP 44 11.880 -6.697 -7.350 354 HB2 ASP 44 HB2 ASP 44 10.514 -5.185 -6.157 355 HB3 ASP 44 HB3 ASP 44 11.404 -5.422 -4.664 356 HA PRO 45 HA PRO 45 16.045 -6.442 -5.161 357 HB2 PRO 45 HB2 PRO 45 16.412 -7.098 -2.603 358 HB3 PRO 45 HB3 PRO 45 15.689 -5.578 -3.036 359 HG2 PRO 45 HG2 PRO 45 14.435 -7.962 -2.044 360 HG3 PRO 45 HG3 PRO 45 14.046 -6.305 -1.680 361 HD2 PRO 45 HD2 PRO 45 12.682 -7.937 -3.485 362 HD3 PRO 45 HD3 PRO 45 12.618 -6.172 -3.422 363 H ASP 46 H ASP 46 17.832 -7.910 -4.756 364 HA ASP 46 HA ASP 46 17.092 -10.722 -4.508 365 HB2 ASP 46 HB2 ASP 46 18.728 -11.296 -6.228 366 HB3 ASP 46 HB3 ASP 46 17.453 -10.287 -6.874 367 H TYR 47 H TYR 47 19.043 -12.082 -4.028 368 HA TYR 47 HA TYR 47 20.654 -10.631 -2.045 369 HB2 TYR 47 HB2 TYR 47 19.466 -13.384 -1.910 370 HB3 TYR 47 HB3 TYR 47 20.584 -12.741 -0.721 371 HD1 TYR 47 HD1 TYR 47 17.347 -11.805 -2.370 372 HD2 TYR 47 HD2 TYR 47 19.685 -11.814 1.189 373 HE1 TYR 47 HE1 TYR 47 15.462 -10.823 -1.132 374 HE2 TYR 47 HE2 TYR 47 17.806 -10.829 2.430 375 HH TYR 47 HH TYR 47 14.646 -10.619 1.128 376 H ALA 48 H ALA 48 22.363 -10.362 -3.524 377 HA ALA 48 HA ALA 48 24.353 -10.847 -4.487 378 HB1 ALA 48 HB1 ALA 48 25.715 -12.575 -3.430 379 HB2 ALA 48 HB2 ALA 48 24.288 -13.200 -2.603 380 HB3 ALA 48 HB3 ALA 48 24.888 -11.586 -2.228 381 H1 SER 0 H1 SER 0 5.602 18.125 -12.282 382 H2 SER 0 H2 SER 0 7.001 17.406 -11.663 383 H3 SER 0 H3 SER 0 7.033 19.016 -12.181 384 HA SER 0 HA SER 0 6.984 18.906 -9.793 385 HB2 SER 0 HB2 SER 0 4.851 20.273 -9.495 386 HB3 SER 0 HB3 SER 0 5.974 20.850 -10.725 387 HG SER 0 HG SER 0 3.706 20.749 -11.362 388 H MET 1 H MET 1 3.865 17.762 -11.084 389 HA MET 1 HA MET 1 3.176 16.529 -8.581 390 HB2 MET 1 HB2 MET 1 1.478 17.568 -10.038 391 HB3 MET 1 HB3 MET 1 1.820 16.372 -11.280 392 HG2 MET 1 HG2 MET 1 -0.206 15.837 -10.041 393 HG3 MET 1 HG3 MET 1 1.032 14.600 -9.830 394 HE1 MET 1 HE1 MET 1 -0.337 13.633 -7.761 395 HE2 MET 1 HE2 MET 1 -1.556 14.889 -7.973 396 HE3 MET 1 HE3 MET 1 -0.844 14.611 -6.384 397 H ASP 2 H ASP 2 3.190 14.415 -8.056 398 HA ASP 2 HA ASP 2 3.697 12.214 -8.056 399 HB2 ASP 2 HB2 ASP 2 2.058 12.244 -9.983 400 HB3 ASP 2 HB3 ASP 2 3.441 12.303 -11.066 401 H GLU 3 H GLU 3 5.793 13.747 -7.739 402 HA GLU 3 HA GLU 3 7.961 12.084 -8.278 403 HB2 GLU 3 HB2 GLU 3 7.690 12.980 -10.613 404 HB3 GLU 3 HB3 GLU 3 8.008 14.590 -9.982 405 HG2 GLU 3 HG2 GLU 3 10.213 13.751 -9.169 406 HG3 GLU 3 HG3 GLU 3 9.887 12.245 -10.024 407 H THR 4 H THR 4 8.429 12.485 -6.108 408 HA THR 4 HA THR 4 9.718 15.020 -5.560 409 HB THR 4 HB THR 4 7.356 14.212 -3.853 410 HG1 THR 4 HG1 THR 4 7.582 15.785 -6.109 411 HG21 THR 4 HG21 THR 4 9.191 16.609 -3.789 412 HG22 THR 4 HG22 THR 4 9.092 15.331 -2.578 413 HG23 THR 4 HG23 THR 4 7.733 16.431 -2.813 414 H VAL 5 H VAL 5 8.348 12.307 -3.655 415 HA VAL 5 HA VAL 5 10.314 12.503 -1.670 416 HB VAL 5 HB VAL 5 9.502 10.254 -0.902 417 HG11 VAL 5 HG11 VAL 5 7.302 11.097 -0.228 418 HG12 VAL 5 HG12 VAL 5 7.425 12.380 -1.432 419 HG13 VAL 5 HG13 VAL 5 8.546 12.337 -0.071 420 HG21 VAL 5 HG21 VAL 5 7.507 9.343 -1.962 421 HG22 VAL 5 HG22 VAL 5 8.862 9.371 -3.089 422 HG23 VAL 5 HG23 VAL 5 7.593 10.586 -3.209 423 H LYS 6 H LYS 6 12.321 11.891 -1.576 424 HA LYS 6 HA LYS 6 13.224 9.539 -3.072 425 HB2 LYS 6 HB2 LYS 6 14.493 12.237 -3.118 426 HB3 LYS 6 HB3 LYS 6 15.358 10.780 -3.571 427 HG2 LYS 6 HG2 LYS 6 13.431 10.388 -5.180 428 HG3 LYS 6 HG3 LYS 6 13.016 12.075 -4.897 429 HD2 LYS 6 HD2 LYS 6 15.176 12.781 -5.673 430 HD3 LYS 6 HD3 LYS 6 15.708 11.104 -5.827 431 HE2 LYS 6 HE2 LYS 6 15.119 11.885 -7.989 432 HE3 LYS 6 HE3 LYS 6 13.884 10.749 -7.476 433 HZ1 LYS 6 HZ1 LYS 6 12.437 12.564 -6.929 434 HZ2 LYS 6 HZ2 LYS 6 12.965 12.755 -8.523 435 HZ3 LYS 6 HZ3 LYS 6 13.634 13.701 -7.294 436 H LEU 7 H LEU 7 15.691 9.186 -2.360 437 HA LEU 7 HA LEU 7 16.939 8.261 -0.717 438 HB2 LEU 7 HB2 LEU 7 16.164 10.811 0.618 439 HB3 LEU 7 HB3 LEU 7 17.253 9.672 1.366 440 HG LEU 7 HG LEU 7 18.660 9.934 -0.784 441 HD11 LEU 7 HD11 LEU 7 16.967 11.117 -2.094 442 HD12 LEU 7 HD12 LEU 7 18.436 12.075 -1.908 443 HD13 LEU 7 HD13 LEU 7 17.011 12.449 -0.940 444 HD21 LEU 7 HD21 LEU 7 19.384 10.721 1.376 445 HD22 LEU 7 HD22 LEU 7 18.376 12.159 1.225 446 HD23 LEU 7 HD23 LEU 7 19.756 11.934 0.151 447 H ASN 8 H ASN 8 15.312 9.630 1.965 448 HA ASN 8 HA ASN 8 14.126 7.062 2.643 449 HB2 ASN 8 HB2 ASN 8 13.869 9.693 4.110 450 HB3 ASN 8 HB3 ASN 8 13.500 8.120 4.740 451 HD21 ASN 8 HD21 ASN 8 15.894 10.419 4.215 452 HD22 ASN 8 HD22 ASN 8 17.168 9.526 4.940 453 H HIS 9 H HIS 9 12.512 6.758 1.178 454 HA HIS 9 HA HIS 9 10.750 8.813 0.324 455 HB2 HIS 9 HB2 HIS 9 10.530 5.801 0.169 456 HB3 HIS 9 HB3 HIS 9 9.394 6.907 -0.587 457 HD1 HIS 9 HD1 HIS 9 9.902 7.489 -2.948 458 HD2 HIS 9 HD2 HIS 9 13.279 6.186 -0.899 459 HE1 HIS 9 HE1 HIS 9 11.730 7.362 -4.667 460 HE2 HIS 9 HE2 HIS 9 13.761 6.562 -3.410 461 H THR 10 H THR 10 9.310 9.748 1.597 462 HA THR 10 HA THR 10 8.598 8.940 4.135 463 HB THR 10 HB THR 10 6.793 10.564 2.353 464 HG1 THR 10 HG1 THR 10 8.143 12.351 3.155 465 HG21 THR 10 HG21 THR 10 7.444 10.687 5.297 466 HG22 THR 10 HG22 THR 10 6.005 9.936 4.610 467 HG23 THR 10 HG23 THR 10 6.249 11.681 4.451 468 H CYS 11 H CYS 11 6.931 7.725 5.047 469 HA CYS 11 HA CYS 11 5.661 5.852 3.298 470 HB2 CYS 11 HB2 CYS 11 6.056 5.232 5.629 471 HB3 CYS 11 HB3 CYS 11 4.973 6.502 6.141 472 H VAL 12 H VAL 12 4.254 6.408 1.904 473 HA VAL 12 HA VAL 12 2.532 8.465 1.723 474 HB VAL 12 HB VAL 12 3.181 6.286 0.350 475 HG11 VAL 12 HG11 VAL 12 1.148 4.947 -0.085 476 HG12 VAL 12 HG12 VAL 12 0.454 5.645 1.381 477 HG13 VAL 12 HG13 VAL 12 1.923 4.672 1.474 478 HG21 VAL 12 HG21 VAL 12 1.285 6.903 -1.180 479 HG22 VAL 12 HG22 VAL 12 2.506 8.103 -0.760 480 HG23 VAL 12 HG23 VAL 12 0.927 8.145 0.020 481 H ILE 13 H ILE 13 2.416 5.942 4.005 482 HA ILE 13 HA ILE 13 -0.419 6.340 4.610 483 HB ILE 13 HB ILE 13 1.405 4.277 5.814 484 HG12 ILE 13 HG12 ILE 13 1.353 4.139 3.293 485 HG13 ILE 13 HG13 ILE 13 0.814 2.703 4.148 486 HG21 ILE 13 HG21 ILE 13 -0.654 3.069 6.231 487 HG22 ILE 13 HG22 ILE 13 -1.574 4.373 5.472 488 HG23 ILE 13 HG23 ILE 13 -0.687 4.674 6.968 489 HD11 ILE 13 HD11 ILE 13 -1.412 3.125 3.655 490 HD12 ILE 13 HD12 ILE 13 -0.524 3.436 2.161 491 HD13 ILE 13 HD13 ILE 13 -1.074 4.780 3.161 492 H CYS 14 H CYS 14 2.691 5.971 6.295 493 HA CYS 14 HA CYS 14 1.638 6.937 8.780 494 HB2 CYS 14 HB2 CYS 14 4.436 6.336 7.939 495 HB3 CYS 14 HB3 CYS 14 3.996 6.749 9.569 496 H ASP 15 H ASP 15 3.367 8.325 6.129 497 HA ASP 15 HA ASP 15 3.988 10.402 5.570 498 HB2 ASP 15 HB2 ASP 15 2.453 11.114 7.994 499 HB3 ASP 15 HB3 ASP 15 3.265 12.328 7.035 500 H GLN 16 H GLN 16 5.810 8.768 6.937 501 HA GLN 16 HA GLN 16 7.567 10.889 7.941 502 HB2 GLN 16 HB2 GLN 16 7.247 8.107 9.003 503 HB3 GLN 16 HB3 GLN 16 8.735 9.000 9.230 504 HG2 GLN 16 HG2 GLN 16 7.601 9.362 11.149 505 HG3 GLN 16 HG3 GLN 16 7.226 10.802 10.232 506 HE21 GLN 16 HE21 GLN 16 5.370 11.217 11.372 507 HE22 GLN 16 HE22 GLN 16 3.962 10.234 11.236 508 H GLU 17 H GLU 17 9.697 10.718 7.305 509 HA GLU 17 HA GLU 17 10.220 9.631 4.776 510 HB2 GLU 17 HB2 GLU 17 12.040 10.849 6.847 511 HB3 GLU 17 HB3 GLU 17 12.562 10.393 5.236 512 HG2 GLU 17 HG2 GLU 17 11.101 11.973 4.225 513 HG3 GLU 17 HG3 GLU 17 10.325 12.311 5.766 514 H LYS 18 H LYS 18 10.377 7.630 4.449 515 HA LYS 18 HA LYS 18 11.553 5.836 6.441 516 HB2 LYS 18 HB2 LYS 18 9.042 5.823 4.966 517 HB3 LYS 18 HB3 LYS 18 9.854 4.274 5.018 518 HG2 LYS 18 HG2 LYS 18 8.162 4.609 6.795 519 HG3 LYS 18 HG3 LYS 18 9.763 4.256 7.376 520 HD2 LYS 18 HD2 LYS 18 10.096 6.672 7.773 521 HD3 LYS 18 HD3 LYS 18 8.407 6.913 7.371 522 HE2 LYS 18 HE2 LYS 18 8.706 6.793 9.763 523 HE3 LYS 18 HE3 LYS 18 7.809 5.408 9.174 524 HZ1 LYS 18 HZ1 LYS 18 10.694 5.406 9.829 525 HZ2 LYS 18 HZ2 LYS 18 9.798 4.069 9.312 526 HZ3 LYS 18 HZ3 LYS 18 9.471 4.775 10.808 527 H ASN 19 H ASN 19 13.160 4.484 5.738 528 HA ASN 19 HA ASN 19 13.767 4.645 2.871 529 HB2 ASN 19 HB2 ASN 19 16.052 4.198 3.388 530 HB3 ASN 19 HB3 ASN 19 15.496 5.429 4.508 531 HD21 ASN 19 HD21 ASN 19 15.280 4.957 6.676 532 HD22 ASN 19 HD22 ASN 19 15.980 3.509 7.388 533 H ARG 20 H ARG 20 12.451 2.568 5.122 534 HA ARG 20 HA ARG 20 13.112 0.246 3.448 535 HB2 ARG 20 HB2 ARG 20 12.530 0.433 6.382 536 HB3 ARG 20 HB3 ARG 20 12.388 -1.081 5.532 537 HG2 ARG 20 HG2 ARG 20 14.719 -0.873 4.829 538 HG3 ARG 20 HG3 ARG 20 14.847 0.562 5.836 539 HD2 ARG 20 HD2 ARG 20 14.180 -0.715 7.709 540 HD3 ARG 20 HD3 ARG 20 13.962 -2.144 6.752 541 HE ARG 20 HE ARG 20 16.606 -1.221 6.463 542 HH11 ARG 20 HH11 ARG 20 14.528 -2.765 8.811 543 HH12 ARG 20 HH12 ARG 20 15.822 -3.612 9.593 544 HH21 ARG 20 HH21 ARG 20 18.318 -2.346 7.476 545 HH22 ARG 20 HH22 ARG 20 17.983 -3.372 8.834 546 H GLY 21 H GLY 21 11.551 -0.279 2.142 547 HA2 GLY 21 HA2 GLY 21 8.968 -0.993 2.665 548 HA3 GLY 21 HA3 GLY 21 8.891 0.748 2.412 549 H ILE 22 H ILE 22 7.534 0.077 0.481 550 HA ILE 22 HA ILE 22 9.317 -0.571 -1.759 551 HB ILE 22 HB ILE 22 7.693 -1.832 -2.784 552 HG12 ILE 22 HG12 ILE 22 5.656 -0.372 -1.132 553 HG13 ILE 22 HG13 ILE 22 6.036 -0.052 -2.787 554 HG21 ILE 22 HG21 ILE 22 8.262 -3.023 -0.786 555 HG22 ILE 22 HG22 ILE 22 6.532 -3.227 -1.079 556 HG23 ILE 22 HG23 ILE 22 7.091 -2.099 0.155 557 HD11 ILE 22 HD11 ILE 22 3.981 -1.340 -2.522 558 HD12 ILE 22 HD12 ILE 22 4.920 -2.633 -1.772 559 HD13 ILE 22 HD13 ILE 22 5.208 -2.191 -3.458 560 H HIS 23 H HIS 23 7.855 0.134 -3.819 561 HA HIS 23 HA HIS 23 6.828 2.786 -3.491 562 HB2 HIS 23 HB2 HIS 23 8.552 3.893 -4.903 563 HB3 HIS 23 HB3 HIS 23 9.170 3.350 -3.359 564 HD1 HIS 23 HD1 HIS 23 9.565 2.900 -7.023 565 HD2 HIS 23 HD2 HIS 23 10.956 1.222 -3.506 566 HE1 HIS 23 HE1 HIS 23 11.535 1.486 -7.692 567 HE2 HIS 23 HE2 HIS 23 12.222 0.312 -5.572 568 H LEU 24 H LEU 24 5.153 2.813 -4.817 569 HA LEU 24 HA LEU 24 5.444 1.732 -7.507 570 HB2 LEU 24 HB2 LEU 24 2.933 2.645 -6.121 571 HB3 LEU 24 HB3 LEU 24 3.086 1.736 -7.572 572 HG LEU 24 HG LEU 24 3.944 0.596 -4.946 573 HD11 LEU 24 HD11 LEU 24 1.615 1.194 -4.731 574 HD12 LEU 24 HD12 LEU 24 1.752 -0.553 -4.934 575 HD13 LEU 24 HD13 LEU 24 1.250 0.458 -6.290 576 HD21 LEU 24 HD21 LEU 24 3.643 -1.526 -6.116 577 HD22 LEU 24 HD22 LEU 24 4.799 -0.496 -6.966 578 HD23 LEU 24 HD23 LEU 24 3.147 -0.661 -7.571 579 H TYR 25 H TYR 25 5.046 3.165 -9.223 580 HA TYR 25 HA TYR 25 4.915 5.169 -10.290 581 HB2 TYR 25 HB2 TYR 25 3.458 6.146 -7.862 582 HB3 TYR 25 HB3 TYR 25 3.408 6.873 -9.453 583 HD1 TYR 25 HD1 TYR 25 0.859 6.754 -9.299 584 HD2 TYR 25 HD2 TYR 25 3.276 3.244 -9.268 585 HE1 TYR 25 HE1 TYR 25 -1.118 5.373 -9.811 586 HE2 TYR 25 HE2 TYR 25 1.324 1.884 -9.759 587 HH TYR 25 HH TYR 25 -1.705 3.257 -10.689 588 H THR 26 H THR 26 4.868 7.411 -7.847 589 HA THR 26 HA THR 26 7.804 7.428 -7.687 590 HB THR 26 HB THR 26 7.101 9.453 -8.653 591 HG1 THR 26 HG1 THR 26 8.245 9.460 -6.283 592 HG21 THR 26 HG21 THR 26 5.051 9.640 -6.462 593 HG22 THR 26 HG22 THR 26 4.741 9.201 -8.146 594 HG23 THR 26 HG23 THR 26 5.309 10.828 -7.741 595 H LYS 27 H LYS 27 5.140 6.504 -5.875 596 HA LYS 27 HA LYS 27 6.090 7.841 -3.437 597 HB2 LYS 27 HB2 LYS 27 3.774 7.078 -2.560 598 HB3 LYS 27 HB3 LYS 27 3.881 8.457 -3.635 599 HG2 LYS 27 HG2 LYS 27 3.382 5.736 -4.741 600 HG3 LYS 27 HG3 LYS 27 2.070 6.667 -4.013 601 HD2 LYS 27 HD2 LYS 27 3.843 7.553 -6.282 602 HD3 LYS 27 HD3 LYS 27 2.160 7.061 -6.411 603 HE2 LYS 27 HE2 LYS 27 1.866 8.954 -4.577 604 HE3 LYS 27 HE3 LYS 27 3.350 9.546 -5.311 605 HZ1 LYS 27 HZ1 LYS 27 2.317 9.717 -7.426 606 HZ2 LYS 27 HZ2 LYS 27 1.269 10.459 -6.314 607 HZ3 LYS 27 HZ3 LYS 27 0.928 8.908 -6.892 608 H PHE 28 H PHE 28 5.051 6.398 -1.473 609 HA PHE 28 HA PHE 28 6.437 3.842 -1.631 610 HB2 PHE 28 HB2 PHE 28 8.190 5.384 -1.251 611 HB3 PHE 28 HB3 PHE 28 7.233 6.295 -0.095 612 HD1 PHE 28 HD1 PHE 28 6.793 5.253 2.178 613 HD2 PHE 28 HD2 PHE 28 9.595 3.626 -0.584 614 HE1 PHE 28 HE1 PHE 28 7.873 4.031 4.000 615 HE2 PHE 28 HE2 PHE 28 10.679 2.394 1.248 616 HZ PHE 28 HZ PHE 28 9.812 2.594 3.550 617 H ILE 29 H ILE 29 5.215 2.418 -0.526 618 HA ILE 29 HA ILE 29 3.784 3.354 1.858 619 HB ILE 29 HB ILE 29 3.815 0.592 0.595 620 HG12 ILE 29 HG12 ILE 29 1.323 1.217 0.198 621 HG13 ILE 29 HG13 ILE 29 1.873 2.878 0.381 622 HG21 ILE 29 HG21 ILE 29 3.472 0.513 2.992 623 HG22 ILE 29 HG22 ILE 29 1.981 0.092 2.139 624 HG23 ILE 29 HG23 ILE 29 2.163 1.690 2.859 625 HD11 ILE 29 HD11 ILE 29 3.339 2.655 -1.500 626 HD12 ILE 29 HD12 ILE 29 1.723 2.120 -1.965 627 HD13 ILE 29 HD13 ILE 29 2.982 0.933 -1.625 628 H CYS 30 H CYS 30 4.841 3.092 3.846 629 HA CYS 30 HA CYS 30 7.393 1.885 3.923 630 HB2 CYS 30 HB2 CYS 30 7.541 2.364 6.171 631 HB3 CYS 30 HB3 CYS 30 6.356 3.532 5.649 632 H LEU 31 H LEU 31 8.068 0.022 4.898 633 HA LEU 31 HA LEU 31 6.921 -2.167 3.748 634 HB2 LEU 31 HB2 LEU 31 8.664 -3.339 4.675 635 HB3 LEU 31 HB3 LEU 31 9.289 -1.733 4.545 636 HG LEU 31 HG LEU 31 8.430 -1.599 7.064 637 HD11 LEU 31 HD11 LEU 31 8.909 -3.691 8.245 638 HD12 LEU 31 HD12 LEU 31 9.120 -4.516 6.700 639 HD13 LEU 31 HD13 LEU 31 7.542 -3.864 7.144 640 HD21 LEU 31 HD21 LEU 31 11.018 -2.822 6.134 641 HD22 LEU 31 HD22 LEU 31 10.722 -2.201 7.757 642 HD23 LEU 31 HD23 LEU 31 10.673 -1.110 6.373 643 H ASP 32 H ASP 32 6.127 -0.725 6.693 644 HA ASP 32 HA ASP 32 5.170 -3.076 8.053 645 HB2 ASP 32 HB2 ASP 32 6.138 -0.979 9.117 646 HB3 ASP 32 HB3 ASP 32 4.625 -0.224 8.705 647 H CYS 33 H CYS 33 3.976 -0.280 6.454 648 HA CYS 33 HA CYS 33 1.216 -0.903 6.645 649 HB2 CYS 33 HB2 CYS 33 2.666 1.118 4.947 650 HB3 CYS 33 HB3 CYS 33 0.936 0.897 4.949 651 H GLU 34 H GLU 34 3.784 -1.413 4.403 652 HA GLU 34 HA GLU 34 2.317 -2.127 2.168 653 HB2 GLU 34 HB2 GLU 34 4.780 -1.657 2.288 654 HB3 GLU 34 HB3 GLU 34 4.995 -3.243 2.975 655 HG2 GLU 34 HG2 GLU 34 3.683 -2.909 0.348 656 HG3 GLU 34 HG3 GLU 34 5.418 -2.918 0.494 657 H ARG 35 H ARG 35 3.417 -4.063 4.899 658 HA ARG 35 HA ARG 35 2.034 -6.374 3.927 659 HB2 ARG 35 HB2 ARG 35 2.506 -7.410 6.112 660 HB3 ARG 35 HB3 ARG 35 3.951 -6.728 5.384 661 HG2 ARG 35 HG2 ARG 35 3.718 -4.753 6.835 662 HG3 ARG 35 HG3 ARG 35 2.329 -5.512 7.592 663 HD2 ARG 35 HD2 ARG 35 5.078 -6.650 7.536 664 HD3 ARG 35 HD3 ARG 35 4.377 -5.794 8.897 665 HE ARG 35 HE ARG 35 2.640 -7.851 8.273 666 HH11 ARG 35 HH11 ARG 35 5.958 -7.532 9.330 667 HH12 ARG 35 HH12 ARG 35 5.966 -9.042 10.182 668 HH21 ARG 35 HH21 ARG 35 2.644 -9.833 9.402 669 HH22 ARG 35 HH22 ARG 35 4.082 -10.349 10.223 670 H LYS 36 H LYS 36 1.116 -3.648 5.759 671 HA LYS 36 HA LYS 36 -0.968 -4.715 7.291 672 HB2 LYS 36 HB2 LYS 36 -0.454 -1.962 6.200 673 HB3 LYS 36 HB3 LYS 36 -1.788 -2.338 7.245 674 HG2 LYS 36 HG2 LYS 36 -0.016 -3.130 8.884 675 HG3 LYS 36 HG3 LYS 36 1.124 -2.345 7.866 676 HD2 LYS 36 HD2 LYS 36 0.014 -0.310 8.220 677 HD3 LYS 36 HD3 LYS 36 -1.254 -1.057 9.155 678 HE2 LYS 36 HE2 LYS 36 0.460 -1.760 10.794 679 HE3 LYS 36 HE3 LYS 36 1.674 -0.885 9.863 680 HZ1 LYS 36 HZ1 LYS 36 0.868 0.393 11.751 681 HZ2 LYS 36 HZ2 LYS 36 -0.707 0.341 11.147 682 HZ3 LYS 36 HZ3 LYS 36 0.500 1.169 10.292 683 H VAL 37 H VAL 37 -0.671 -3.289 4.165 684 HA VAL 37 HA VAL 37 -3.299 -2.956 3.487 685 HB VAL 37 HB VAL 37 -2.591 -3.015 1.148 686 HG11 VAL 37 HG11 VAL 37 -0.526 -1.555 2.777 687 HG12 VAL 37 HG12 VAL 37 -2.194 -1.002 2.614 688 HG13 VAL 37 HG13 VAL 37 -1.159 -1.108 1.191 689 HG21 VAL 37 HG21 VAL 37 -1.063 -4.674 0.876 690 HG22 VAL 37 HG22 VAL 37 -0.131 -4.207 2.302 691 HG23 VAL 37 HG23 VAL 37 -0.040 -3.236 0.826 692 H ILE 38 H ILE 38 -1.239 -5.694 2.902 693 HA ILE 38 HA ILE 38 -2.862 -7.260 1.277 694 HB ILE 38 HB ILE 38 -1.000 -8.464 3.300 695 HG12 ILE 38 HG12 ILE 38 -0.233 -6.814 0.912 696 HG13 ILE 38 HG13 ILE 38 0.290 -6.619 2.568 697 HG21 ILE 38 HG21 ILE 38 -0.433 -9.904 1.313 698 HG22 ILE 38 HG22 ILE 38 -1.777 -9.123 0.482 699 HG23 ILE 38 HG23 ILE 38 -2.071 -10.058 1.944 700 HD11 ILE 38 HD11 ILE 38 1.765 -8.401 2.455 701 HD12 ILE 38 HD12 ILE 38 1.934 -7.623 0.877 702 HD13 ILE 38 HD13 ILE 38 0.973 -9.090 1.041 703 H SER 39 H SER 39 -2.576 -6.775 4.647 704 HA SER 39 HA SER 39 -4.226 -9.018 5.265 705 HB2 SER 39 HB2 SER 39 -2.262 -8.380 6.668 706 HB3 SER 39 HB3 SER 39 -3.133 -6.925 7.146 707 HG SER 39 HG SER 39 -4.025 -9.590 7.579 708 H THR 40 H THR 40 -4.541 -5.628 4.877 709 HA THR 40 HA THR 40 -7.001 -5.360 6.358 710 HB THR 40 HB THR 40 -5.501 -3.412 4.605 711 HG1 THR 40 HG1 THR 40 -4.353 -4.027 6.472 712 HG21 THR 40 HG21 THR 40 -7.891 -2.828 4.840 713 HG22 THR 40 HG22 THR 40 -6.827 -1.666 5.628 714 HG23 THR 40 HG23 THR 40 -7.704 -2.855 6.594 715 H SER 41 H SER 41 -6.093 -5.914 3.034 716 HA SER 41 HA SER 41 -8.169 -4.543 1.763 717 HB2 SER 41 HB2 SER 41 -7.547 -6.404 -0.067 718 HB3 SER 41 HB3 SER 41 -6.540 -4.997 0.265 719 HG SER 41 HG SER 41 -5.043 -6.351 0.777 720 H THR 42 H THR 42 -7.926 -8.103 2.121 721 HA THR 42 HA THR 42 -10.723 -8.211 1.268 722 HB THR 42 HB THR 42 -10.275 -10.632 0.865 723 HG1 THR 42 HG1 THR 42 -7.521 -10.190 1.005 724 HG21 THR 42 HG21 THR 42 -8.413 -8.669 -0.483 725 HG22 THR 42 HG22 THR 42 -10.076 -9.025 -0.952 726 HG23 THR 42 HG23 THR 42 -8.833 -10.266 -1.106 727 H SER 43 H SER 43 -8.749 -8.676 4.015 728 HA SER 43 HA SER 43 -10.751 -10.266 5.406 729 HB2 SER 43 HB2 SER 43 -8.312 -10.737 5.693 730 HB3 SER 43 HB3 SER 43 -8.129 -9.151 6.441 731 HG SER 43 HG SER 43 -9.616 -9.840 8.052 732 H ASP 44 H ASP 44 -11.746 -7.860 4.585 733 HA ASP 44 HA ASP 44 -12.077 -6.448 7.125 734 HB2 ASP 44 HB2 ASP 44 -10.687 -4.968 5.925 735 HB3 ASP 44 HB3 ASP 44 -11.587 -5.189 4.435 736 HA PRO 45 HA PRO 45 -16.240 -6.133 4.949 737 HB2 PRO 45 HB2 PRO 45 -16.621 -6.765 2.388 738 HB3 PRO 45 HB3 PRO 45 -15.874 -5.237 2.837 739 HG2 PRO 45 HG2 PRO 45 -14.650 -7.741 1.825 740 HG3 PRO 45 HG3 PRO 45 -14.278 -6.063 1.461 741 HD2 PRO 45 HD2 PRO 45 -12.894 -7.673 3.268 742 HD3 PRO 45 HD3 PRO 45 -12.817 -5.905 3.194 743 H ASP 46 H ASP 46 -18.043 -7.558 4.508 744 HA ASP 46 HA ASP 46 -17.366 -10.387 4.298 745 HB2 ASP 46 HB2 ASP 46 -19.001 -10.920 6.021 746 HB3 ASP 46 HB3 ASP 46 -17.714 -9.926 6.662 747 H TYR 47 H TYR 47 -19.339 -11.715 3.822 748 HA TYR 47 HA TYR 47 -20.925 -10.242 1.838 749 HB2 TYR 47 HB2 TYR 47 -19.787 -13.018 1.709 750 HB3 TYR 47 HB3 TYR 47 -20.894 -12.358 0.518 751 HD1 TYR 47 HD1 TYR 47 -17.639 -11.473 2.163 752 HD2 TYR 47 HD2 TYR 47 -19.979 -11.453 -1.396 753 HE1 TYR 47 HE1 TYR 47 -15.738 -10.530 0.919 754 HE2 TYR 47 HE2 TYR 47 -18.085 -10.507 -2.642 755 HH TYR 47 HH TYR 47 -14.915 -10.326 -1.322 756 H ALA 48 H ALA 48 -22.631 -9.938 3.302 757 HA ALA 48 HA ALA 48 -24.628 -10.380 4.274 758 HB1 ALA 48 HB1 ALA 48 -26.022 -12.091 3.228 759 HB2 ALA 48 HB2 ALA 48 -24.607 -12.746 2.406 760 HB3 ALA 48 HB3 ALA 48 -25.177 -11.124 2.020 Start of MODEL 3 1 H1 SER 0 H1 SER 0 2.154 14.678 -4.882 2 H2 SER 0 H2 SER 0 0.565 14.361 -4.401 3 H3 SER 0 H3 SER 0 1.834 14.201 -3.290 4 HA SER 0 HA SER 0 2.280 16.541 -3.387 5 HB2 SER 0 HB2 SER 0 -0.136 16.692 -5.198 6 HB3 SER 0 HB3 SER 0 0.855 18.041 -4.654 7 HG SER 0 HG SER 0 1.360 17.253 -6.797 8 H MET 1 H MET 1 -1.142 15.514 -3.653 9 HA MET 1 HA MET 1 -1.493 16.111 -0.817 10 HB2 MET 1 HB2 MET 1 -3.487 17.463 -1.220 11 HB3 MET 1 HB3 MET 1 -2.084 18.193 -1.985 12 HG2 MET 1 HG2 MET 1 -2.790 17.311 -4.142 13 HG3 MET 1 HG3 MET 1 -4.188 16.555 -3.380 14 HE1 MET 1 HE1 MET 1 -4.452 18.430 -5.902 15 HE2 MET 1 HE2 MET 1 -5.831 19.429 -5.441 16 HE3 MET 1 HE3 MET 1 -5.835 17.703 -5.083 17 H ASP 2 H ASP 2 -3.285 15.092 0.128 18 HA ASP 2 HA ASP 2 -4.641 13.079 -1.540 19 HB2 ASP 2 HB2 ASP 2 -4.500 11.496 0.352 20 HB3 ASP 2 HB3 ASP 2 -2.903 11.959 -0.226 21 H GLU 3 H GLU 3 -6.811 12.784 -1.123 22 HA GLU 3 HA GLU 3 -8.056 14.095 1.135 23 HB2 GLU 3 HB2 GLU 3 -7.665 15.891 -0.592 24 HB3 GLU 3 HB3 GLU 3 -8.743 15.009 -1.663 25 HG2 GLU 3 HG2 GLU 3 -10.564 15.287 -0.055 26 HG3 GLU 3 HG3 GLU 3 -9.479 16.180 1.011 27 H THR 4 H THR 4 -10.399 13.737 1.186 28 HA THR 4 HA THR 4 -11.279 11.429 -0.428 29 HB THR 4 HB THR 4 -11.985 12.084 2.438 30 HG1 THR 4 HG1 THR 4 -9.967 11.107 2.318 31 HG21 THR 4 HG21 THR 4 -13.907 11.143 1.356 32 HG22 THR 4 HG22 THR 4 -13.167 9.879 2.340 33 HG23 THR 4 HG23 THR 4 -12.920 9.899 0.592 34 H VAL 5 H VAL 5 -13.033 11.832 -1.671 35 HA VAL 5 HA VAL 5 -14.698 14.147 -0.938 36 HB VAL 5 HB VAL 5 -14.441 12.963 -3.704 37 HG11 VAL 5 HG11 VAL 5 -16.531 14.149 -3.291 38 HG12 VAL 5 HG12 VAL 5 -15.513 15.048 -4.415 39 HG13 VAL 5 HG13 VAL 5 -15.633 15.559 -2.733 40 HG21 VAL 5 HG21 VAL 5 -13.042 14.888 -4.259 41 HG22 VAL 5 HG22 VAL 5 -12.295 13.899 -3.005 42 HG23 VAL 5 HG23 VAL 5 -13.089 15.414 -2.577 43 H LYS 6 H LYS 6 -15.798 12.686 0.501 44 HA LYS 6 HA LYS 6 -17.672 11.593 1.109 45 HB2 LYS 6 HB2 LYS 6 -18.521 11.967 -1.736 46 HB3 LYS 6 HB3 LYS 6 -19.574 11.520 -0.413 47 HG2 LYS 6 HG2 LYS 6 -19.179 13.648 0.635 48 HG3 LYS 6 HG3 LYS 6 -18.043 14.097 -0.632 49 HD2 LYS 6 HD2 LYS 6 -19.882 13.878 -2.280 50 HD3 LYS 6 HD3 LYS 6 -20.992 13.578 -0.948 51 HE2 LYS 6 HE2 LYS 6 -20.456 15.764 -0.006 52 HE3 LYS 6 HE3 LYS 6 -19.355 16.058 -1.344 53 HZ1 LYS 6 HZ1 LYS 6 -22.277 15.635 -1.579 54 HZ2 LYS 6 HZ2 LYS 6 -21.220 15.912 -2.870 55 HZ3 LYS 6 HZ3 LYS 6 -21.483 17.121 -1.717 56 H LEU 7 H LEU 7 -17.852 10.320 -2.168 57 HA LEU 7 HA LEU 7 -17.927 7.662 -1.029 58 HB2 LEU 7 HB2 LEU 7 -18.719 6.889 -3.128 59 HB3 LEU 7 HB3 LEU 7 -19.559 8.374 -2.768 60 HG LEU 7 HG LEU 7 -17.183 8.303 -4.611 61 HD11 LEU 7 HD11 LEU 7 -18.854 6.728 -5.459 62 HD12 LEU 7 HD12 LEU 7 -18.754 8.169 -6.470 63 HD13 LEU 7 HD13 LEU 7 -20.093 7.977 -5.339 64 HD21 LEU 7 HD21 LEU 7 -17.776 10.486 -3.833 65 HD22 LEU 7 HD22 LEU 7 -19.477 10.197 -4.183 66 HD23 LEU 7 HD23 LEU 7 -18.316 10.329 -5.502 67 H ASN 8 H ASN 8 -15.834 9.528 -3.185 68 HA ASN 8 HA ASN 8 -14.108 7.229 -3.587 69 HB2 ASN 8 HB2 ASN 8 -12.566 8.964 -4.669 70 HB3 ASN 8 HB3 ASN 8 -14.061 8.666 -5.502 71 HD21 ASN 8 HD21 ASN 8 -15.533 10.291 -5.673 72 HD22 ASN 8 HD22 ASN 8 -15.187 11.903 -5.166 73 H HIS 9 H HIS 9 -12.129 6.945 -2.760 74 HA HIS 9 HA HIS 9 -11.035 9.038 -1.005 75 HB2 HIS 9 HB2 HIS 9 -10.590 6.037 -0.906 76 HB3 HIS 9 HB3 HIS 9 -9.710 7.209 0.062 77 HD1 HIS 9 HD1 HIS 9 -13.125 5.651 -0.287 78 HD2 HIS 9 HD2 HIS 9 -11.002 8.074 2.337 79 HE1 HIS 9 HE1 HIS 9 -14.536 5.801 1.784 80 HE2 HIS 9 HE2 HIS 9 -13.323 7.426 3.274 81 H THR 10 H THR 10 -9.114 9.869 -1.763 82 HA THR 10 HA THR 10 -8.406 9.120 -4.434 83 HB THR 10 HB THR 10 -6.888 11.002 -2.606 84 HG1 THR 10 HG1 THR 10 -8.927 11.830 -2.643 85 HG21 THR 10 HG21 THR 10 -5.757 10.372 -4.719 86 HG22 THR 10 HG22 THR 10 -6.187 12.081 -4.664 87 HG23 THR 10 HG23 THR 10 -7.160 10.959 -5.615 88 H CYS 11 H CYS 11 -6.817 7.835 -5.134 89 HA CYS 11 HA CYS 11 -5.435 6.158 -3.300 90 HB2 CYS 11 HB2 CYS 11 -6.005 5.368 -5.573 91 HB3 CYS 11 HB3 CYS 11 -4.929 6.576 -6.265 92 H VAL 12 H VAL 12 -3.780 6.741 -2.099 93 HA VAL 12 HA VAL 12 -2.178 9.004 -2.370 94 HB VAL 12 HB VAL 12 -0.533 7.810 -0.926 95 HG11 VAL 12 HG11 VAL 12 -3.416 7.579 -0.088 96 HG12 VAL 12 HG12 VAL 12 -2.361 8.977 0.132 97 HG13 VAL 12 HG13 VAL 12 -2.032 7.475 1.000 98 HG21 VAL 12 HG21 VAL 12 -2.431 5.487 -1.232 99 HG22 VAL 12 HG22 VAL 12 -1.076 5.565 -0.107 100 HG23 VAL 12 HG23 VAL 12 -0.780 5.571 -1.844 101 H ILE 13 H ILE 13 -2.268 6.257 -4.263 102 HA ILE 13 HA ILE 13 0.505 6.424 -5.126 103 HB ILE 13 HB ILE 13 -1.499 4.440 -6.095 104 HG12 ILE 13 HG12 ILE 13 -1.463 4.489 -3.588 105 HG13 ILE 13 HG13 ILE 13 -0.969 2.959 -4.306 106 HG21 ILE 13 HG21 ILE 13 0.663 4.665 -7.237 107 HG22 ILE 13 HG22 ILE 13 0.414 3.080 -6.509 108 HG23 ILE 13 HG23 ILE 13 1.472 4.255 -5.721 109 HD11 ILE 13 HD11 ILE 13 0.381 3.806 -2.388 110 HD12 ILE 13 HD12 ILE 13 0.983 5.059 -3.482 111 HD13 ILE 13 HD13 ILE 13 1.268 3.348 -3.845 112 H CYS 14 H CYS 14 -2.693 6.106 -6.584 113 HA CYS 14 HA CYS 14 -1.700 6.873 -9.176 114 HB2 CYS 14 HB2 CYS 14 -4.452 6.251 -8.227 115 HB3 CYS 14 HB3 CYS 14 -4.044 6.518 -9.897 116 H ASP 15 H ASP 15 -3.087 8.473 -6.506 117 HA ASP 15 HA ASP 15 -3.801 10.585 -6.108 118 HB2 ASP 15 HB2 ASP 15 -1.755 11.070 -7.443 119 HB3 ASP 15 HB3 ASP 15 -2.778 11.276 -8.849 120 H GLN 16 H GLN 16 -5.447 8.664 -7.274 121 HA GLN 16 HA GLN 16 -7.377 10.267 -8.791 122 HB2 GLN 16 HB2 GLN 16 -6.832 7.306 -9.010 123 HB3 GLN 16 HB3 GLN 16 -8.096 8.167 -9.867 124 HG2 GLN 16 HG2 GLN 16 -5.170 8.668 -10.150 125 HG3 GLN 16 HG3 GLN 16 -6.153 7.750 -11.271 126 HE21 GLN 16 HE21 GLN 16 -4.575 10.126 -11.715 127 HE22 GLN 16 HE22 GLN 16 -5.667 11.307 -12.333 128 H GLU 17 H GLU 17 -9.452 10.162 -8.238 129 HA GLU 17 HA GLU 17 -10.193 9.452 -5.579 130 HB2 GLU 17 HB2 GLU 17 -11.780 10.485 -7.922 131 HB3 GLU 17 HB3 GLU 17 -12.396 10.345 -6.281 132 HG2 GLU 17 HG2 GLU 17 -11.047 12.035 -5.499 133 HG3 GLU 17 HG3 GLU 17 -9.915 11.870 -6.823 134 H LYS 18 H LYS 18 -10.175 7.341 -5.245 135 HA LYS 18 HA LYS 18 -11.883 5.663 -6.956 136 HB2 LYS 18 HB2 LYS 18 -9.826 4.531 -5.171 137 HB3 LYS 18 HB3 LYS 18 -10.529 3.833 -6.594 138 HG2 LYS 18 HG2 LYS 18 -8.403 5.921 -6.406 139 HG3 LYS 18 HG3 LYS 18 -8.321 4.329 -7.156 140 HD2 LYS 18 HD2 LYS 18 -10.282 6.283 -8.199 141 HD3 LYS 18 HD3 LYS 18 -8.598 6.523 -8.572 142 HE2 LYS 18 HE2 LYS 18 -9.796 5.307 -10.319 143 HE3 LYS 18 HE3 LYS 18 -8.497 4.388 -9.599 144 HZ1 LYS 18 HZ1 LYS 18 -10.479 3.044 -9.950 145 HZ2 LYS 18 HZ2 LYS 18 -11.365 4.070 -8.945 146 HZ3 LYS 18 HZ3 LYS 18 -10.099 3.150 -8.309 147 H ASN 19 H ASN 19 -13.569 4.633 -6.038 148 HA ASN 19 HA ASN 19 -13.890 5.013 -3.163 149 HB2 ASN 19 HB2 ASN 19 -16.239 4.394 -3.517 150 HB3 ASN 19 HB3 ASN 19 -15.759 5.737 -4.531 151 HD21 ASN 19 HD21 ASN 19 -17.535 5.327 -5.866 152 HD22 ASN 19 HD22 ASN 19 -17.518 4.005 -7.026 153 H ARG 20 H ARG 20 -12.432 2.825 -4.981 154 HA ARG 20 HA ARG 20 -13.144 0.635 -3.171 155 HB2 ARG 20 HB2 ARG 20 -12.851 0.434 -6.166 156 HB3 ARG 20 HB3 ARG 20 -12.786 -0.951 -5.104 157 HG2 ARG 20 HG2 ARG 20 -15.025 -0.554 -4.382 158 HG3 ARG 20 HG3 ARG 20 -15.079 0.951 -5.288 159 HD2 ARG 20 HD2 ARG 20 -14.706 -0.248 -7.344 160 HD3 ARG 20 HD3 ARG 20 -14.667 -1.722 -6.424 161 HE ARG 20 HE ARG 20 -17.070 -0.750 -5.758 162 HH11 ARG 20 HH11 ARG 20 -15.529 -1.194 -8.866 163 HH12 ARG 20 HH12 ARG 20 -17.026 -1.377 -9.724 164 HH21 ARG 20 HH21 ARG 20 -19.042 -0.980 -6.885 165 HH22 ARG 20 HH22 ARG 20 -19.025 -1.262 -8.594 166 H GLY 21 H GLY 21 -11.528 0.111 -2.022 167 HA2 GLY 21 HA2 GLY 21 -9.100 -0.917 -2.708 168 HA3 GLY 21 HA3 GLY 21 -8.792 0.807 -2.582 169 H ILE 22 H ILE 22 -7.462 0.360 -0.539 170 HA ILE 22 HA ILE 22 -9.296 -0.220 1.673 171 HB ILE 22 HB ILE 22 -7.743 -1.457 2.787 172 HG12 ILE 22 HG12 ILE 22 -5.589 -0.138 1.177 173 HG13 ILE 22 HG13 ILE 22 -6.076 0.352 2.763 174 HG21 ILE 22 HG21 ILE 22 -7.041 -1.819 -0.119 175 HG22 ILE 22 HG22 ILE 22 -8.240 -2.715 0.820 176 HG23 ILE 22 HG23 ILE 22 -6.522 -2.905 1.169 177 HD11 ILE 22 HD11 ILE 22 -5.476 -1.956 3.537 178 HD12 ILE 22 HD12 ILE 22 -4.131 -0.922 3.048 179 HD13 ILE 22 HD13 ILE 22 -4.728 -2.184 1.952 180 H HIS 23 H HIS 23 -7.947 0.453 3.753 181 HA HIS 23 HA HIS 23 -6.853 3.104 3.549 182 HB2 HIS 23 HB2 HIS 23 -8.552 4.141 5.037 183 HB3 HIS 23 HB3 HIS 23 -9.219 3.671 3.492 184 HD1 HIS 23 HD1 HIS 23 -9.609 3.196 7.126 185 HD2 HIS 23 HD2 HIS 23 -10.927 1.441 3.621 186 HE1 HIS 23 HE1 HIS 23 -11.554 1.751 7.794 187 HE2 HIS 23 HE2 HIS 23 -12.210 0.547 5.684 188 H LEU 24 H LEU 24 -5.119 2.872 4.783 189 HA LEU 24 HA LEU 24 -5.008 0.958 6.939 190 HB2 LEU 24 HB2 LEU 24 -3.109 2.611 5.449 191 HB3 LEU 24 HB3 LEU 24 -2.739 2.458 7.129 192 HG LEU 24 HG LEU 24 -2.068 0.334 6.921 193 HD11 LEU 24 HD11 LEU 24 -4.204 -0.113 4.923 194 HD12 LEU 24 HD12 LEU 24 -4.122 -0.680 6.594 195 HD13 LEU 24 HD13 LEU 24 -3.005 -1.321 5.390 196 HD21 LEU 24 HD21 LEU 24 -1.999 0.890 4.005 197 HD22 LEU 24 HD22 LEU 24 -0.921 -0.144 4.952 198 HD23 LEU 24 HD23 LEU 24 -0.886 1.603 5.169 199 H TYR 25 H TYR 25 -4.240 4.397 6.749 200 HA TYR 25 HA TYR 25 -4.902 4.633 9.576 201 HB2 TYR 25 HB2 TYR 25 -3.217 6.464 7.911 202 HB3 TYR 25 HB3 TYR 25 -3.441 6.578 9.643 203 HD1 TYR 25 HD1 TYR 25 -0.721 6.582 9.287 204 HD2 TYR 25 HD2 TYR 25 -3.271 3.204 8.795 205 HE1 TYR 25 HE1 TYR 25 1.209 5.075 9.584 206 HE2 TYR 25 HE2 TYR 25 -1.390 1.704 9.053 207 HH TYR 25 HH TYR 25 1.657 2.782 10.238 208 H THR 26 H THR 26 -4.678 7.552 7.867 209 HA THR 26 HA THR 26 -7.594 7.652 7.563 210 HB THR 26 HB THR 26 -7.036 9.420 8.963 211 HG1 THR 26 HG1 THR 26 -7.474 10.133 6.336 212 HG21 THR 26 HG21 THR 26 -5.118 10.838 8.782 213 HG22 THR 26 HG22 THR 26 -4.703 10.156 7.212 214 HG23 THR 26 HG23 THR 26 -4.584 9.157 8.663 215 H LYS 27 H LYS 27 -5.387 6.525 5.740 216 HA LYS 27 HA LYS 27 -5.737 8.287 3.398 217 HB2 LYS 27 HB2 LYS 27 -3.655 6.257 3.186 218 HB3 LYS 27 HB3 LYS 27 -3.608 7.962 2.778 219 HG2 LYS 27 HG2 LYS 27 -3.366 6.859 5.538 220 HG3 LYS 27 HG3 LYS 27 -2.014 7.291 4.511 221 HD2 LYS 27 HD2 LYS 27 -4.069 9.094 5.729 222 HD3 LYS 27 HD3 LYS 27 -2.318 9.127 5.936 223 HE2 LYS 27 HE2 LYS 27 -2.283 9.552 3.379 224 HE3 LYS 27 HE3 LYS 27 -3.970 10.012 3.610 225 HZ1 LYS 27 HZ1 LYS 27 -2.612 11.320 5.606 226 HZ2 LYS 27 HZ2 LYS 27 -3.224 12.007 4.185 227 HZ3 LYS 27 HZ3 LYS 27 -1.618 11.489 4.247 228 H PHE 28 H PHE 28 -5.008 6.797 1.405 229 HA PHE 28 HA PHE 28 -6.603 4.362 1.368 230 HB2 PHE 28 HB2 PHE 28 -8.264 6.033 0.876 231 HB3 PHE 28 HB3 PHE 28 -7.217 6.798 -0.307 232 HD1 PHE 28 HD1 PHE 28 -7.036 5.985 -2.510 233 HD2 PHE 28 HD2 PHE 28 -9.338 3.843 0.343 234 HE1 PHE 28 HE1 PHE 28 -7.989 4.634 -4.319 235 HE2 PHE 28 HE2 PHE 28 -10.308 2.482 -1.466 236 HZ PHE 28 HZ PHE 28 -9.626 2.872 -3.812 237 H ILE 29 H ILE 29 -5.513 2.889 0.304 238 HA ILE 29 HA ILE 29 -3.976 3.672 -2.093 239 HB ILE 29 HB ILE 29 -3.927 1.037 -0.585 240 HG12 ILE 29 HG12 ILE 29 -1.394 1.781 -0.440 241 HG13 ILE 29 HG13 ILE 29 -2.075 3.394 -0.608 242 HG21 ILE 29 HG21 ILE 29 -2.336 1.922 -2.982 243 HG22 ILE 29 HG22 ILE 29 -3.670 0.764 -2.998 244 HG23 ILE 29 HG23 ILE 29 -2.173 0.383 -2.138 245 HD11 ILE 29 HD11 ILE 29 -3.339 3.148 1.388 246 HD12 ILE 29 HD12 ILE 29 -1.686 2.631 1.729 247 HD13 ILE 29 HD13 ILE 29 -2.951 1.431 1.487 248 H CYS 30 H CYS 30 -4.981 3.224 -4.026 249 HA CYS 30 HA CYS 30 -7.564 2.076 -4.042 250 HB2 CYS 30 HB2 CYS 30 -7.615 2.376 -6.349 251 HB3 CYS 30 HB3 CYS 30 -6.488 3.611 -5.838 252 H LEU 31 H LEU 31 -8.253 0.195 -4.923 253 HA LEU 31 HA LEU 31 -7.167 -2.011 -3.759 254 HB2 LEU 31 HB2 LEU 31 -8.971 -3.125 -4.625 255 HB3 LEU 31 HB3 LEU 31 -9.521 -1.484 -4.597 256 HG LEU 31 HG LEU 31 -8.663 -1.515 -7.104 257 HD11 LEU 31 HD11 LEU 31 -7.812 -3.793 -7.056 258 HD12 LEU 31 HD12 LEU 31 -9.167 -3.658 -8.176 259 HD13 LEU 31 HD13 LEU 31 -9.405 -4.394 -6.592 260 HD21 LEU 31 HD21 LEU 31 -10.956 -2.058 -7.786 261 HD22 LEU 31 HD22 LEU 31 -10.913 -0.965 -6.403 262 HD23 LEU 31 HD23 LEU 31 -11.282 -2.673 -6.166 263 H ASP 32 H ASP 32 -6.198 -0.569 -6.643 264 HA ASP 32 HA ASP 32 -5.291 -2.994 -7.953 265 HB2 ASP 32 HB2 ASP 32 -6.101 -0.893 -9.152 266 HB3 ASP 32 HB3 ASP 32 -4.565 -0.201 -8.696 267 H CYS 33 H CYS 33 -3.991 -0.152 -6.488 268 HA CYS 33 HA CYS 33 -1.269 -0.869 -6.534 269 HB2 CYS 33 HB2 CYS 33 -2.776 1.170 -4.925 270 HB3 CYS 33 HB3 CYS 33 -1.045 0.958 -4.857 271 H GLU 34 H GLU 34 -3.907 -1.252 -4.357 272 HA GLU 34 HA GLU 34 -2.581 -1.924 -2.050 273 HB2 GLU 34 HB2 GLU 34 -4.884 -1.505 -1.932 274 HB3 GLU 34 HB3 GLU 34 -5.263 -2.635 -3.195 275 HG2 GLU 34 HG2 GLU 34 -4.109 -3.757 -0.723 276 HG3 GLU 34 HG3 GLU 34 -5.741 -3.109 -0.634 277 H ARG 35 H ARG 35 -3.654 -3.984 -4.669 278 HA ARG 35 HA ARG 35 -2.335 -6.270 -3.589 279 HB2 ARG 35 HB2 ARG 35 -2.829 -7.395 -5.730 280 HB3 ARG 35 HB3 ARG 35 -4.252 -6.634 -5.034 281 HG2 ARG 35 HG2 ARG 35 -3.948 -4.740 -6.553 282 HG3 ARG 35 HG3 ARG 35 -2.568 -5.550 -7.273 283 HD2 ARG 35 HD2 ARG 35 -3.974 -7.321 -8.022 284 HD3 ARG 35 HD3 ARG 35 -5.366 -6.638 -7.196 285 HE ARG 35 HE ARG 35 -4.434 -4.678 -8.899 286 HH11 ARG 35 HH11 ARG 35 -5.647 -7.942 -9.226 287 HH12 ARG 35 HH12 ARG 35 -6.365 -7.652 -10.780 288 HH21 ARG 35 HH21 ARG 35 -5.370 -4.278 -10.933 289 HH22 ARG 35 HH22 ARG 35 -6.188 -5.574 -11.763 290 H LYS 36 H LYS 36 -1.289 -3.689 -5.561 291 HA LYS 36 HA LYS 36 0.669 -4.946 -7.116 292 HB2 LYS 36 HB2 LYS 36 0.510 -2.137 -6.081 293 HB3 LYS 36 HB3 LYS 36 1.659 -2.692 -7.248 294 HG2 LYS 36 HG2 LYS 36 -0.372 -3.256 -8.686 295 HG3 LYS 36 HG3 LYS 36 -1.258 -2.317 -7.547 296 HD2 LYS 36 HD2 LYS 36 -0.723 -0.669 -8.898 297 HD3 LYS 36 HD3 LYS 36 0.812 -0.690 -8.077 298 HE2 LYS 36 HE2 LYS 36 1.714 -2.164 -9.793 299 HE3 LYS 36 HE3 LYS 36 0.160 -2.169 -10.619 300 HZ1 LYS 36 HZ1 LYS 36 0.402 0.244 -10.938 301 HZ2 LYS 36 HZ2 LYS 36 1.626 -0.635 -11.698 302 HZ3 LYS 36 HZ3 LYS 36 1.947 0.172 -10.252 303 H VAL 37 H VAL 37 0.547 -3.404 -4.099 304 HA VAL 37 HA VAL 37 3.163 -2.784 -3.679 305 HB VAL 37 HB VAL 37 2.533 -2.718 -1.256 306 HG11 VAL 37 HG11 VAL 37 1.594 -0.687 -1.589 307 HG12 VAL 37 HG12 VAL 37 0.268 -1.364 -2.541 308 HG13 VAL 37 HG13 VAL 37 1.831 -1.037 -3.309 309 HG21 VAL 37 HG21 VAL 37 -0.065 -2.927 -1.033 310 HG22 VAL 37 HG22 VAL 37 0.977 -4.336 -0.854 311 HG23 VAL 37 HG23 VAL 37 0.120 -4.060 -2.379 312 H ILE 38 H ILE 38 1.451 -5.643 -2.406 313 HA ILE 38 HA ILE 38 3.881 -6.610 -1.225 314 HB ILE 38 HB ILE 38 2.573 -8.769 -0.936 315 HG12 ILE 38 HG12 ILE 38 0.052 -7.362 -0.966 316 HG13 ILE 38 HG13 ILE 38 0.730 -7.423 -2.570 317 HG21 ILE 38 HG21 ILE 38 1.620 -7.919 1.077 318 HG22 ILE 38 HG22 ILE 38 1.554 -6.284 0.418 319 HG23 ILE 38 HG23 ILE 38 3.110 -7.037 0.759 320 HD11 ILE 38 HD11 ILE 38 0.816 -9.806 -2.521 321 HD12 ILE 38 HD12 ILE 38 -0.795 -9.310 -1.998 322 HD13 ILE 38 HD13 ILE 38 0.397 -9.830 -0.811 323 H SER 39 H SER 39 2.135 -6.981 -4.161 324 HA SER 39 HA SER 39 3.345 -9.369 -5.001 325 HB2 SER 39 HB2 SER 39 1.291 -8.367 -6.044 326 HB3 SER 39 HB3 SER 39 2.309 -7.123 -6.766 327 HG SER 39 HG SER 39 3.496 -9.188 -7.553 328 H THR 40 H THR 40 4.260 -6.069 -4.923 329 HA THR 40 HA THR 40 6.597 -6.253 -6.591 330 HB THR 40 HB THR 40 5.607 -4.115 -4.694 331 HG1 THR 40 HG1 THR 40 4.231 -4.418 -6.460 332 HG21 THR 40 HG21 THR 40 7.152 -2.595 -5.725 333 HG22 THR 40 HG22 THR 40 7.714 -3.847 -6.836 334 HG23 THR 40 HG23 THR 40 8.057 -3.981 -5.111 335 H SER 41 H SER 41 5.902 -6.175 -3.110 336 HA SER 41 HA SER 41 8.655 -5.843 -2.356 337 HB2 SER 41 HB2 SER 41 7.717 -6.104 -0.045 338 HB3 SER 41 HB3 SER 41 6.951 -4.836 -1.001 339 HG SER 41 HG SER 41 5.451 -6.230 0.118 340 H THR 42 H THR 42 6.613 -8.565 -2.911 341 HA THR 42 HA THR 42 7.777 -10.278 -0.965 342 HB THR 42 HB THR 42 6.553 -12.087 -2.272 343 HG1 THR 42 HG1 THR 42 5.129 -10.028 -3.525 344 HG21 THR 42 HG21 THR 42 5.622 -11.011 -0.285 345 HG22 THR 42 HG22 THR 42 4.358 -11.303 -1.481 346 HG23 THR 42 HG23 THR 42 5.021 -9.678 -1.277 347 H SER 43 H SER 43 9.370 -9.025 -3.370 348 HA SER 43 HA SER 43 10.820 -11.465 -4.093 349 HB2 SER 43 HB2 SER 43 10.241 -9.810 -5.888 350 HB3 SER 43 HB3 SER 43 11.258 -8.627 -5.069 351 HG SER 43 HG SER 43 13.025 -10.093 -5.369 352 H ASP 44 H ASP 44 10.749 -9.067 -1.784 353 HA ASP 44 HA ASP 44 13.635 -9.226 -1.230 354 HB2 ASP 44 HB2 ASP 44 11.539 -7.297 -0.200 355 HB3 ASP 44 HB3 ASP 44 13.230 -7.292 0.285 356 HA PRO 45 HA PRO 45 12.249 -12.146 1.903 357 HB2 PRO 45 HB2 PRO 45 15.095 -12.460 2.465 358 HB3 PRO 45 HB3 PRO 45 13.961 -13.639 1.844 359 HG2 PRO 45 HG2 PRO 45 15.917 -12.611 0.381 360 HG3 PRO 45 HG3 PRO 45 14.392 -13.151 -0.311 361 HD2 PRO 45 HD2 PRO 45 15.339 -10.375 0.246 362 HD3 PRO 45 HD3 PRO 45 14.353 -10.989 -1.097 363 H ASP 46 H ASP 46 15.245 -10.384 2.753 364 HA ASP 46 HA ASP 46 13.991 -9.717 5.329 365 HB2 ASP 46 HB2 ASP 46 16.159 -9.862 6.349 366 HB3 ASP 46 HB3 ASP 46 15.889 -11.338 5.440 367 H TYR 47 H TYR 47 15.732 -7.891 6.306 368 HA TYR 47 HA TYR 47 15.420 -5.690 4.386 369 HB2 TYR 47 HB2 TYR 47 14.884 -4.255 6.341 370 HB3 TYR 47 HB3 TYR 47 13.705 -5.530 6.070 371 HD1 TYR 47 HD1 TYR 47 15.975 -4.039 8.411 372 HD2 TYR 47 HD2 TYR 47 13.840 -7.610 7.529 373 HE1 TYR 47 HE1 TYR 47 16.248 -4.771 10.743 374 HE2 TYR 47 HE2 TYR 47 14.103 -8.349 9.858 375 HH TYR 47 HH TYR 47 15.544 -7.966 11.749 376 H ALA 48 H ALA 48 17.836 -7.363 5.185 377 HA ALA 48 HA ALA 48 19.518 -5.105 6.058 378 HB1 ALA 48 HB1 ALA 48 20.095 -8.053 6.319 379 HB2 ALA 48 HB2 ALA 48 19.569 -6.987 7.621 380 HB3 ALA 48 HB3 ALA 48 21.139 -6.739 6.858 381 H1 SER 0 H1 SER 0 -1.979 14.726 4.594 382 H2 SER 0 H2 SER 0 -0.398 14.381 4.112 383 H3 SER 0 H3 SER 0 -1.668 14.240 3.001 384 HA SER 0 HA SER 0 -2.073 16.583 3.085 385 HB2 SER 0 HB2 SER 0 0.342 16.711 4.904 386 HB3 SER 0 HB3 SER 0 -0.623 18.073 4.345 387 HG SER 0 HG SER 0 -1.129 17.284 6.502 388 H MET 1 H MET 1 1.336 15.498 3.370 389 HA MET 1 HA MET 1 1.690 16.078 0.528 390 HB2 MET 1 HB2 MET 1 3.707 17.396 0.920 391 HB3 MET 1 HB3 MET 1 2.316 18.154 1.680 392 HG2 MET 1 HG2 MET 1 3.006 17.267 3.844 393 HG3 MET 1 HG3 MET 1 4.393 16.488 3.084 394 HE1 MET 1 HE1 MET 1 4.689 18.366 5.598 395 HE2 MET 1 HE2 MET 1 6.085 19.339 5.132 396 HE3 MET 1 HE3 MET 1 6.056 17.611 4.779 397 H ASP 2 H ASP 2 3.466 15.033 -0.417 398 HA ASP 2 HA ASP 2 4.785 12.998 1.252 399 HB2 ASP 2 HB2 ASP 2 4.612 11.413 -0.636 400 HB3 ASP 2 HB3 ASP 2 3.026 11.906 -0.055 401 H GLU 3 H GLU 3 6.950 12.664 0.835 402 HA GLU 3 HA GLU 3 8.214 13.946 -1.428 403 HB2 GLU 3 HB2 GLU 3 7.854 15.754 0.293 404 HB3 GLU 3 HB3 GLU 3 8.917 14.857 1.366 405 HG2 GLU 3 HG2 GLU 3 10.741 15.096 -0.245 406 HG3 GLU 3 HG3 GLU 3 9.671 16.005 -1.312 407 H THR 4 H THR 4 10.550 13.548 -1.479 408 HA THR 4 HA THR 4 11.391 11.228 0.138 409 HB THR 4 HB THR 4 12.114 11.867 -2.728 410 HG1 THR 4 HG1 THR 4 10.059 10.940 -2.572 411 HG21 THR 4 HG21 THR 4 14.013 10.893 -1.643 412 HG22 THR 4 HG22 THR 4 13.249 9.638 -2.621 413 HG23 THR 4 HG23 THR 4 13.002 9.670 -0.874 414 H VAL 5 H VAL 5 13.150 11.609 1.386 415 HA VAL 5 HA VAL 5 14.857 13.891 0.642 416 HB VAL 5 HB VAL 5 14.584 12.718 3.410 417 HG11 VAL 5 HG11 VAL 5 16.692 13.867 2.989 418 HG12 VAL 5 HG12 VAL 5 15.691 14.787 4.110 419 HG13 VAL 5 HG13 VAL 5 15.816 15.290 2.426 420 HG21 VAL 5 HG21 VAL 5 13.217 14.667 3.962 421 HG22 VAL 5 HG22 VAL 5 12.451 13.688 2.712 422 HG23 VAL 5 HG23 VAL 5 13.270 15.188 2.280 423 H LYS 6 H LYS 6 15.935 12.415 -0.791 424 HA LYS 6 HA LYS 6 17.785 11.282 -1.401 425 HB2 LYS 6 HB2 LYS 6 18.643 11.647 1.443 426 HB3 LYS 6 HB3 LYS 6 19.686 11.178 0.120 427 HG2 LYS 6 HG2 LYS 6 19.328 13.309 -0.934 428 HG3 LYS 6 HG3 LYS 6 18.199 13.782 0.331 429 HD2 LYS 6 HD2 LYS 6 20.032 13.544 1.975 430 HD3 LYS 6 HD3 LYS 6 21.141 13.207 0.651 431 HE2 LYS 6 HE2 LYS 6 20.647 15.397 -0.298 432 HE3 LYS 6 HE3 LYS 6 19.541 15.732 1.029 433 HZ1 LYS 6 HZ1 LYS 6 22.460 15.251 1.276 434 HZ2 LYS 6 HZ2 LYS 6 21.403 15.546 2.563 435 HZ3 LYS 6 HZ3 LYS 6 21.686 16.751 1.409 436 H LEU 7 H LEU 7 17.939 10.014 1.882 437 HA LEU 7 HA LEU 7 17.975 7.352 0.753 438 HB2 LEU 7 HB2 LEU 7 18.754 6.574 2.854 439 HB3 LEU 7 HB3 LEU 7 19.619 8.041 2.487 440 HG LEU 7 HG LEU 7 17.244 8.019 4.332 441 HD11 LEU 7 HD11 LEU 7 18.889 6.418 5.184 442 HD12 LEU 7 HD12 LEU 7 18.818 7.864 6.189 443 HD13 LEU 7 HD13 LEU 7 20.150 7.645 5.055 444 HD21 LEU 7 HD21 LEU 7 17.873 10.189 3.546 445 HD22 LEU 7 HD22 LEU 7 19.570 9.872 3.896 446 HD23 LEU 7 HD23 LEU 7 18.411 10.026 5.217 447 H ASN 8 H ASN 8 15.916 9.258 2.906 448 HA ASN 8 HA ASN 8 14.150 6.994 3.316 449 HB2 ASN 8 HB2 ASN 8 12.640 8.757 4.393 450 HB3 ASN 8 HB3 ASN 8 14.132 8.437 5.225 451 HD21 ASN 8 HD21 ASN 8 15.629 10.036 5.388 452 HD22 ASN 8 HD22 ASN 8 15.309 11.654 4.882 453 H HIS 9 H HIS 9 12.163 6.743 2.495 454 HA HIS 9 HA HIS 9 11.109 8.845 0.727 455 HB2 HIS 9 HB2 HIS 9 10.610 5.851 0.643 456 HB3 HIS 9 HB3 HIS 9 9.752 7.034 -0.332 457 HD1 HIS 9 HD1 HIS 9 13.143 5.414 0.021 458 HD2 HIS 9 HD2 HIS 9 11.057 7.867 -2.606 459 HE1 HIS 9 HE1 HIS 9 14.552 5.536 -2.055 460 HE2 HIS 9 HE2 HIS 9 13.369 7.189 -3.537 461 H THR 10 H THR 10 9.205 9.717 1.485 462 HA THR 10 HA THR 10 8.483 8.987 4.157 463 HB THR 10 HB THR 10 6.994 10.887 2.324 464 HG1 THR 10 HG1 THR 10 9.054 11.673 2.355 465 HG21 THR 10 HG21 THR 10 5.856 10.283 4.441 466 HG22 THR 10 HG22 THR 10 6.316 11.984 4.380 467 HG23 THR 10 HG23 THR 10 7.271 10.848 5.333 468 H CYS 11 H CYS 11 6.871 7.731 4.864 469 HA CYS 11 HA CYS 11 5.460 6.072 3.037 470 HB2 CYS 11 HB2 CYS 11 6.015 5.279 5.312 471 HB3 CYS 11 HB3 CYS 11 4.964 6.508 6.001 472 H VAL 12 H VAL 12 3.810 6.673 1.836 473 HA VAL 12 HA VAL 12 2.251 8.970 2.099 474 HB VAL 12 HB VAL 12 0.584 7.798 0.660 475 HG11 VAL 12 HG11 VAL 12 3.463 7.516 -0.179 476 HG12 VAL 12 HG12 VAL 12 2.432 8.931 -0.401 477 HG13 VAL 12 HG13 VAL 12 2.076 7.432 -1.266 478 HG21 VAL 12 HG21 VAL 12 2.443 5.445 0.973 479 HG22 VAL 12 HG22 VAL 12 1.088 5.541 -0.152 480 HG23 VAL 12 HG23 VAL 12 0.794 5.559 1.586 481 H ILE 13 H ILE 13 2.292 6.226 3.999 482 HA ILE 13 HA ILE 13 -0.476 6.447 4.866 483 HB ILE 13 HB ILE 13 1.496 4.432 5.840 484 HG12 ILE 13 HG12 ILE 13 1.460 4.473 3.334 485 HG13 ILE 13 HG13 ILE 13 0.938 2.954 4.057 486 HG21 ILE 13 HG21 ILE 13 -0.662 4.697 6.982 487 HG22 ILE 13 HG22 ILE 13 -0.440 3.105 6.260 488 HG23 ILE 13 HG23 ILE 13 -1.478 4.295 5.469 489 HD11 ILE 13 HD11 ILE 13 -0.396 3.817 2.136 490 HD12 ILE 13 HD12 ILE 13 -0.976 5.084 3.226 491 HD13 ILE 13 HD13 ILE 13 -1.290 3.380 3.594 492 H CYS 14 H CYS 14 2.719 6.073 6.322 493 HA CYS 14 HA CYS 14 1.741 6.872 8.909 494 HB2 CYS 14 HB2 CYS 14 4.479 6.194 7.961 495 HB3 CYS 14 HB3 CYS 14 4.079 6.481 9.630 496 H ASP 15 H ASP 15 3.155 8.437 6.233 497 HA ASP 15 HA ASP 15 3.906 10.536 5.829 498 HB2 ASP 15 HB2 ASP 15 1.867 11.057 7.167 499 HB3 ASP 15 HB3 ASP 15 2.899 11.258 8.569 500 H GLN 16 H GLN 16 5.517 8.587 7.003 501 HA GLN 16 HA GLN 16 7.475 10.164 8.511 502 HB2 GLN 16 HB2 GLN 16 6.879 7.216 8.743 503 HB3 GLN 16 HB3 GLN 16 8.159 8.058 9.595 504 HG2 GLN 16 HG2 GLN 16 5.242 8.613 9.878 505 HG3 GLN 16 HG3 GLN 16 6.209 7.680 10.999 506 HE21 GLN 16 HE21 GLN 16 4.673 10.090 11.444 507 HE22 GLN 16 HE22 GLN 16 5.789 11.252 12.055 508 H GLU 17 H GLU 17 9.547 10.028 7.956 509 HA GLU 17 HA GLU 17 10.279 9.290 5.301 510 HB2 GLU 17 HB2 GLU 17 11.883 10.305 7.639 511 HB3 GLU 17 HB3 GLU 17 12.497 10.146 5.999 512 HG2 GLU 17 HG2 GLU 17 11.180 11.859 5.210 513 HG3 GLU 17 HG3 GLU 17 10.043 11.717 6.533 514 H LYS 18 H LYS 18 10.223 7.181 4.977 515 HA LYS 18 HA LYS 18 11.901 5.476 6.689 516 HB2 LYS 18 HB2 LYS 18 9.823 4.374 4.909 517 HB3 LYS 18 HB3 LYS 18 10.514 3.670 6.335 518 HG2 LYS 18 HG2 LYS 18 8.423 5.794 6.140 519 HG3 LYS 18 HG3 LYS 18 8.314 4.206 6.897 520 HD2 LYS 18 HD2 LYS 18 10.312 6.129 7.929 521 HD3 LYS 18 HD3 LYS 18 8.632 6.400 8.304 522 HE2 LYS 18 HE2 LYS 18 9.808 5.172 10.053 523 HE3 LYS 18 HE3 LYS 18 8.498 4.269 9.338 524 HZ1 LYS 18 HZ1 LYS 18 10.455 2.896 9.693 525 HZ2 LYS 18 HZ2 LYS 18 11.362 3.908 8.687 526 HZ3 LYS 18 HZ3 LYS 18 10.084 3.005 8.049 527 H ASN 19 H ASN 19 13.564 4.408 5.774 528 HA ASN 19 HA ASN 19 13.893 4.782 2.898 529 HB2 ASN 19 HB2 ASN 19 16.231 4.121 3.253 530 HB3 ASN 19 HB3 ASN 19 15.776 5.475 4.264 531 HD21 ASN 19 HD21 ASN 19 17.547 5.037 5.596 532 HD22 ASN 19 HD22 ASN 19 17.501 3.726 6.766 533 H ARG 20 H ARG 20 12.399 2.620 4.720 534 HA ARG 20 HA ARG 20 13.080 0.399 2.932 535 HB2 ARG 20 HB2 ARG 20 12.789 0.329 5.921 536 HB3 ARG 20 HB3 ARG 20 12.681 -1.115 4.959 537 HG2 ARG 20 HG2 ARG 20 14.904 -0.791 4.140 538 HG3 ARG 20 HG3 ARG 20 15.038 0.711 5.047 539 HD2 ARG 20 HD2 ARG 20 14.568 -0.569 7.040 540 HD3 ARG 20 HD3 ARG 20 14.608 -2.044 6.125 541 HE ARG 20 HE ARG 20 16.984 -0.986 5.517 542 HH11 ARG 20 HH11 ARG 20 15.432 -1.442 8.628 543 HH12 ARG 20 HH12 ARG 20 16.927 -1.657 9.479 544 HH21 ARG 20 HH21 ARG 20 18.947 -1.277 6.637 545 HH22 ARG 20 HH22 ARG 20 18.921 -1.571 8.348 546 H GLY 21 H GLY 21 11.446 -0.080 1.775 547 HA2 GLY 21 HA2 GLY 21 9.003 -1.070 2.462 548 HA3 GLY 21 HA3 GLY 21 8.725 0.660 2.337 549 H ILE 22 H ILE 22 7.383 0.225 0.296 550 HA ILE 22 HA ILE 22 9.206 -0.388 -1.914 551 HB ILE 22 HB ILE 22 7.634 -1.601 -3.026 552 HG12 ILE 22 HG12 ILE 22 5.502 -0.241 -1.416 553 HG13 ILE 22 HG13 ILE 22 5.997 0.236 -3.006 554 HG21 ILE 22 HG21 ILE 22 6.926 -1.944 -0.118 555 HG22 ILE 22 HG22 ILE 22 8.110 -2.863 -1.054 556 HG23 ILE 22 HG23 ILE 22 6.388 -3.026 -1.403 557 HD11 ILE 22 HD11 ILE 22 5.357 -2.066 -3.773 558 HD12 ILE 22 HD12 ILE 22 4.030 -1.006 -3.288 559 HD13 ILE 22 HD13 ILE 22 4.606 -2.275 -2.186 560 H HIS 23 H HIS 23 7.863 0.301 -3.995 561 HA HIS 23 HA HIS 23 6.820 2.971 -3.804 562 HB2 HIS 23 HB2 HIS 23 8.537 3.973 -5.296 563 HB3 HIS 23 HB3 HIS 23 9.197 3.496 -3.751 564 HD1 HIS 23 HD1 HIS 23 9.577 3.001 -7.381 565 HD2 HIS 23 HD2 HIS 23 10.860 1.233 -3.873 566 HE1 HIS 23 HE1 HIS 23 11.495 1.523 -8.044 567 HE2 HIS 23 HE2 HIS 23 12.125 0.306 -5.931 568 H LEU 24 H LEU 24 5.082 2.764 -5.037 569 HA LEU 24 HA LEU 24 4.939 0.844 -7.184 570 HB2 LEU 24 HB2 LEU 24 3.067 2.535 -5.699 571 HB3 LEU 24 HB3 LEU 24 2.694 2.382 -7.379 572 HG LEU 24 HG LEU 24 1.988 0.273 -7.163 573 HD11 LEU 24 HD11 LEU 24 4.117 -0.206 -5.165 574 HD12 LEU 24 HD12 LEU 24 4.024 -0.777 -6.834 575 HD13 LEU 24 HD13 LEU 24 2.896 -1.394 -5.627 576 HD21 LEU 24 HD21 LEU 24 1.930 0.838 -4.247 577 HD22 LEU 24 HD22 LEU 24 0.833 -0.181 -5.190 578 HD23 LEU 24 HD23 LEU 24 0.826 1.566 -5.412 579 H TYR 25 H TYR 25 4.228 4.294 -7.005 580 HA TYR 25 HA TYR 25 4.893 4.510 -9.835 581 HB2 TYR 25 HB2 TYR 25 3.241 6.380 -8.175 582 HB3 TYR 25 HB3 TYR 25 3.466 6.481 -9.910 583 HD1 TYR 25 HD1 TYR 25 0.747 6.532 -9.551 584 HD2 TYR 25 HD2 TYR 25 3.235 3.114 -9.043 585 HE1 TYR 25 HE1 TYR 25 -1.210 5.058 -9.845 586 HE2 TYR 25 HE2 TYR 25 1.327 1.644 -9.298 587 HH TYR 25 HH TYR 25 -1.703 2.786 -10.489 588 H THR 26 H THR 26 4.719 7.438 -8.133 589 HA THR 26 HA THR 26 7.636 7.490 -7.835 590 HB THR 26 HB THR 26 7.111 9.270 -9.235 591 HG1 THR 26 HG1 THR 26 7.567 9.966 -6.613 592 HG21 THR 26 HG21 THR 26 5.213 10.713 -9.062 593 HG22 THR 26 HG22 THR 26 4.786 10.045 -7.490 594 HG23 THR 26 HG23 THR 26 4.654 9.040 -8.937 595 H LYS 27 H LYS 27 5.412 6.407 -6.006 596 HA LYS 27 HA LYS 27 5.795 8.171 -3.670 597 HB2 LYS 27 HB2 LYS 27 3.678 6.179 -3.448 598 HB3 LYS 27 HB3 LYS 27 3.660 7.886 -3.047 599 HG2 LYS 27 HG2 LYS 27 3.397 6.778 -5.804 600 HG3 LYS 27 HG3 LYS 27 2.055 7.235 -4.777 601 HD2 LYS 27 HD2 LYS 27 4.137 9.001 -6.003 602 HD3 LYS 27 HD3 LYS 27 2.386 9.064 -6.210 603 HE2 LYS 27 HE2 LYS 27 2.362 9.496 -3.652 604 HE3 LYS 27 HE3 LYS 27 4.057 9.926 -3.886 605 HZ1 LYS 27 HZ1 LYS 27 2.722 11.255 -5.881 606 HZ2 LYS 27 HZ2 LYS 27 3.343 11.933 -4.460 607 HZ3 LYS 27 HZ3 LYS 27 1.729 11.441 -4.525 608 H PHE 28 H PHE 28 5.046 6.706 -1.673 609 HA PHE 28 HA PHE 28 6.594 4.239 -1.627 610 HB2 PHE 28 HB2 PHE 28 8.284 5.882 -1.141 611 HB3 PHE 28 HB3 PHE 28 7.250 6.669 0.040 612 HD1 PHE 28 HD1 PHE 28 7.057 5.866 2.245 613 HD2 PHE 28 HD2 PHE 28 9.319 3.676 -0.600 614 HE1 PHE 28 HE1 PHE 28 7.989 4.508 4.059 615 HE2 PHE 28 HE2 PHE 28 10.266 2.305 1.212 616 HZ PHE 28 HZ PHE 28 9.594 2.714 3.558 617 H ILE 29 H ILE 29 5.480 2.788 -0.555 618 HA ILE 29 HA ILE 29 3.957 3.607 1.839 619 HB ILE 29 HB ILE 29 3.861 0.968 0.340 620 HG12 ILE 29 HG12 ILE 29 1.340 1.757 0.194 621 HG13 ILE 29 HG13 ILE 29 2.051 3.357 0.357 622 HG21 ILE 29 HG21 ILE 29 2.287 1.889 2.736 623 HG22 ILE 29 HG22 ILE 29 3.602 0.708 2.754 624 HG23 ILE 29 HG23 ILE 29 2.097 0.350 1.896 625 HD11 ILE 29 HD11 ILE 29 3.309 3.081 -1.639 626 HD12 ILE 29 HD12 ILE 29 1.647 2.593 -1.977 627 HD13 ILE 29 HD13 ILE 29 2.891 1.371 -1.732 628 H CYS 30 H CYS 30 4.957 3.147 3.776 629 HA CYS 30 HA CYS 30 7.519 1.954 3.792 630 HB2 CYS 30 HB2 CYS 30 7.576 2.265 6.097 631 HB3 CYS 30 HB3 CYS 30 6.470 3.517 5.583 632 H LEU 31 H LEU 31 8.177 0.066 4.672 633 HA LEU 31 HA LEU 31 7.051 -2.125 3.520 634 HB2 LEU 31 HB2 LEU 31 8.836 -3.268 4.389 635 HB3 LEU 31 HB3 LEU 31 9.415 -1.638 4.354 636 HG LEU 31 HG LEU 31 8.557 -1.643 6.862 637 HD11 LEU 31 HD11 LEU 31 7.668 -3.906 6.826 638 HD12 LEU 31 HD12 LEU 31 9.025 -3.789 7.946 639 HD13 LEU 31 HD13 LEU 31 9.249 -4.537 6.365 640 HD21 LEU 31 HD21 LEU 31 10.840 -2.222 7.550 641 HD22 LEU 31 HD22 LEU 31 10.816 -1.134 6.162 642 HD23 LEU 31 HD23 LEU 31 11.157 -2.848 5.931 643 H ASP 32 H ASP 32 6.108 -0.659 6.401 644 HA ASP 32 HA ASP 32 5.162 -3.060 7.723 645 HB2 ASP 32 HB2 ASP 32 6.010 -0.969 8.910 646 HB3 ASP 32 HB3 ASP 32 4.486 -0.251 8.453 647 H CYS 33 H CYS 33 3.911 -0.203 6.246 648 HA CYS 33 HA CYS 33 1.177 -0.873 6.296 649 HB2 CYS 33 HB2 CYS 33 2.717 1.135 4.680 650 HB3 CYS 33 HB3 CYS 33 0.982 0.952 4.613 651 H GLU 34 H GLU 34 3.806 -1.309 4.120 652 HA GLU 34 HA GLU 34 2.465 -1.965 1.817 653 HB2 GLU 34 HB2 GLU 34 4.776 -1.583 1.694 654 HB3 GLU 34 HB3 GLU 34 5.136 -2.715 2.961 655 HG2 GLU 34 HG2 GLU 34 3.960 -3.827 0.495 656 HG3 GLU 34 HG3 GLU 34 5.604 -3.210 0.402 657 H ARG 35 H ARG 35 3.507 -4.034 4.440 658 HA ARG 35 HA ARG 35 2.150 -6.301 3.371 659 HB2 ARG 35 HB2 ARG 35 2.626 -7.427 5.516 660 HB3 ARG 35 HB3 ARG 35 4.062 -6.695 4.812 661 HG2 ARG 35 HG2 ARG 35 3.791 -4.777 6.323 662 HG3 ARG 35 HG3 ARG 35 2.411 -5.579 7.048 663 HD2 ARG 35 HD2 ARG 35 3.778 -7.381 7.813 664 HD3 ARG 35 HD3 ARG 35 5.165 -6.704 6.975 665 HE ARG 35 HE ARG 35 4.280 -4.729 8.673 666 HH11 ARG 35 HH11 ARG 35 5.444 -8.004 9.018 667 HH12 ARG 35 HH12 ARG 35 6.156 -7.723 10.573 668 HH21 ARG 35 HH21 ARG 35 5.216 -4.335 10.712 669 HH22 ARG 35 HH22 ARG 35 6.012 -5.642 11.548 670 H LYS 36 H LYS 36 1.147 -3.694 5.334 671 HA LYS 36 HA LYS 36 -0.832 -4.913 6.894 672 HB2 LYS 36 HB2 LYS 36 -0.623 -2.112 5.849 673 HB3 LYS 36 HB3 LYS 36 -1.783 -2.641 7.018 674 HG2 LYS 36 HG2 LYS 36 0.241 -3.238 8.458 675 HG3 LYS 36 HG3 LYS 36 1.140 -2.317 7.317 676 HD2 LYS 36 HD2 LYS 36 0.631 -0.654 8.661 677 HD3 LYS 36 HD3 LYS 36 -0.905 -0.653 7.842 678 HE2 LYS 36 HE2 LYS 36 -1.828 -2.109 9.566 679 HE3 LYS 36 HE3 LYS 36 -0.272 -2.135 10.390 680 HZ1 LYS 36 HZ1 LYS 36 -0.474 0.281 10.703 681 HZ2 LYS 36 HZ2 LYS 36 -1.716 -0.576 11.465 682 HZ3 LYS 36 HZ3 LYS 36 -2.020 0.231 10.015 683 H VAL 37 H VAL 37 -0.687 -3.382 3.873 684 HA VAL 37 HA VAL 37 -3.290 -2.721 3.453 685 HB VAL 37 HB VAL 37 -2.663 -2.672 1.026 686 HG11 VAL 37 HG11 VAL 37 -1.686 -0.657 1.354 687 HG12 VAL 37 HG12 VAL 37 -0.371 -1.355 2.307 688 HG13 VAL 37 HG13 VAL 37 -1.928 -0.997 3.075 689 HG21 VAL 37 HG21 VAL 37 -0.068 -2.928 0.803 690 HG22 VAL 37 HG22 VAL 37 -1.134 -4.319 0.632 691 HG23 VAL 37 HG23 VAL 37 -0.271 -4.053 2.154 692 H ILE 38 H ILE 38 -1.630 -5.612 2.188 693 HA ILE 38 HA ILE 38 -4.076 -6.542 1.012 694 HB ILE 38 HB ILE 38 -2.806 -8.725 0.731 695 HG12 ILE 38 HG12 ILE 38 -0.261 -7.362 0.752 696 HG13 ILE 38 HG13 ILE 38 -0.939 -7.404 2.357 697 HG21 ILE 38 HG21 ILE 38 -1.840 -7.897 -1.286 698 HG22 ILE 38 HG22 ILE 38 -1.748 -6.262 -0.635 699 HG23 ILE 38 HG23 ILE 38 -3.316 -6.992 -0.972 700 HD11 ILE 38 HD11 ILE 38 -1.065 -9.785 2.319 701 HD12 ILE 38 HD12 ILE 38 0.554 -9.320 1.790 702 HD13 ILE 38 HD13 ILE 38 -0.650 -9.824 0.607 703 H SER 39 H SER 39 -2.336 -6.928 3.951 704 HA SER 39 HA SER 39 -3.588 -9.291 4.799 705 HB2 SER 39 HB2 SER 39 -1.513 -8.329 5.837 706 HB3 SER 39 HB3 SER 39 -2.507 -7.062 6.555 707 HG SER 39 HG SER 39 -3.735 -9.111 7.341 708 H THR 40 H THR 40 -4.442 -5.977 4.709 709 HA THR 40 HA THR 40 -6.782 -6.113 6.379 710 HB THR 40 HB THR 40 -5.760 -4.002 4.466 711 HG1 THR 40 HG1 THR 40 -4.397 -4.347 6.262 712 HG21 THR 40 HG21 THR 40 -7.276 -2.454 5.495 713 HG22 THR 40 HG22 THR 40 -7.855 -3.690 6.612 714 HG23 THR 40 HG23 THR 40 -8.204 -3.826 4.888 715 H SER 41 H SER 41 -6.087 -6.066 2.896 716 HA SER 41 HA SER 41 -8.832 -5.688 2.145 717 HB2 SER 41 HB2 SER 41 -7.896 -5.977 -0.167 718 HB3 SER 41 HB3 SER 41 -7.119 -4.714 0.785 719 HG SER 41 HG SER 41 -5.643 -6.158 -0.332 720 H THR 42 H THR 42 -6.839 -8.445 2.705 721 HA THR 42 HA THR 42 -8.039 -10.145 0.767 722 HB THR 42 HB THR 42 -6.848 -11.972 2.076 723 HG1 THR 42 HG1 THR 42 -5.381 -9.949 3.335 724 HG21 THR 42 HG21 THR 42 -5.891 -10.915 0.091 725 HG22 THR 42 HG22 THR 42 -4.634 -11.224 1.290 726 HG23 THR 42 HG23 THR 42 -5.271 -9.589 1.080 727 H SER 43 H SER 43 -9.605 -8.855 3.169 728 HA SER 43 HA SER 43 -11.097 -11.263 3.904 729 HB2 SER 43 HB2 SER 43 -10.486 -9.612 5.691 730 HB3 SER 43 HB3 SER 43 -11.481 -8.414 4.867 731 HG SER 43 HG SER 43 -13.273 -9.858 5.168 732 H ASP 44 H ASP 44 -10.983 -8.882 1.582 733 HA ASP 44 HA ASP 44 -13.871 -8.991 1.030 734 HB2 ASP 44 HB2 ASP 44 -11.744 -7.102 -0.008 735 HB3 ASP 44 HB3 ASP 44 -13.435 -7.072 -0.493 736 HA PRO 45 HA PRO 45 -12.537 -11.936 -2.093 737 HB2 PRO 45 HB2 PRO 45 -15.375 -12.241 -2.617 738 HB3 PRO 45 HB3 PRO 45 -14.246 -13.413 -2.003 739 HG2 PRO 45 HG2 PRO 45 -16.240 -12.306 -0.576 740 HG3 PRO 45 HG3 PRO 45 -14.738 -12.888 0.080 741 HD2 PRO 45 HD2 PRO 45 -15.585 -10.120 -0.420 742 HD3 PRO 45 HD3 PRO 45 -14.608 -10.762 0.906 743 H ASP 46 H ASP 46 -15.506 -10.132 -2.946 744 HA ASP 46 HA ASP 46 -14.243 -9.497 -5.524 745 HB2 ASP 46 HB2 ASP 46 -16.412 -9.615 -6.543 746 HB3 ASP 46 HB3 ASP 46 -16.169 -11.087 -5.622 747 H TYR 47 H TYR 47 -15.957 -7.644 -6.510 748 HA TYR 47 HA TYR 47 -15.607 -5.441 -4.598 749 HB2 TYR 47 HB2 TYR 47 -15.042 -4.025 -6.558 750 HB3 TYR 47 HB3 TYR 47 -13.887 -5.320 -6.280 751 HD1 TYR 47 HD1 TYR 47 -16.131 -3.799 -8.625 752 HD2 TYR 47 HD2 TYR 47 -14.058 -7.403 -7.731 753 HE1 TYR 47 HE1 TYR 47 -16.418 -4.537 -10.953 754 HE2 TYR 47 HE2 TYR 47 -14.338 -8.146 -10.059 755 HH TYR 47 HH TYR 47 -15.763 -7.741 -11.955 756 H ALA 48 H ALA 48 -18.047 -7.073 -5.385 757 HA ALA 48 HA ALA 48 -19.697 -4.789 -6.257 758 HB1 ALA 48 HB1 ALA 48 -20.320 -7.730 -6.513 759 HB2 ALA 48 HB2 ALA 48 -19.779 -6.676 -7.818 760 HB3 ALA 48 HB3 ALA 48 -21.343 -6.401 -7.055 Start of MODEL 4 1 H1 SER 0 H1 SER 0 -0.477 13.847 -7.851 2 H2 SER 0 H2 SER 0 -0.897 12.870 -6.535 3 H3 SER 0 H3 SER 0 0.710 13.360 -6.750 4 HA SER 0 HA SER 0 -0.296 14.638 -5.012 5 HB2 SER 0 HB2 SER 0 0.016 16.928 -6.089 6 HB3 SER 0 HB3 SER 0 1.371 15.811 -6.252 7 HG SER 0 HG SER 0 -0.330 16.844 -8.177 8 H MET 1 H MET 1 -1.874 16.154 -4.339 9 HA MET 1 HA MET 1 -3.905 17.127 -4.165 10 HB2 MET 1 HB2 MET 1 -3.545 18.157 -6.323 11 HB3 MET 1 HB3 MET 1 -4.062 16.692 -7.148 12 HG2 MET 1 HG2 MET 1 -5.792 18.427 -7.138 13 HG3 MET 1 HG3 MET 1 -6.307 16.959 -6.309 14 HE1 MET 1 HE1 MET 1 -7.908 19.603 -5.987 15 HE2 MET 1 HE2 MET 1 -8.149 19.697 -4.244 16 HE3 MET 1 HE3 MET 1 -8.305 18.148 -5.074 17 H ASP 2 H ASP 2 -4.973 15.777 -2.884 18 HA ASP 2 HA ASP 2 -6.512 13.627 -4.167 19 HB2 ASP 2 HB2 ASP 2 -6.617 12.522 -1.997 20 HB3 ASP 2 HB3 ASP 2 -4.940 12.826 -2.432 21 H GLU 3 H GLU 3 -8.706 13.427 -3.699 22 HA GLU 3 HA GLU 3 -9.939 15.592 -2.172 23 HB2 GLU 3 HB2 GLU 3 -9.782 16.304 -4.568 24 HB3 GLU 3 HB3 GLU 3 -10.775 14.918 -4.996 25 HG2 GLU 3 HG2 GLU 3 -12.640 15.791 -3.794 26 HG3 GLU 3 HG3 GLU 3 -11.655 17.080 -3.103 27 H THR 4 H THR 4 -10.255 13.805 -0.731 28 HA THR 4 HA THR 4 -12.227 11.816 -1.572 29 HB THR 4 HB THR 4 -10.637 12.017 0.989 30 HG1 THR 4 HG1 THR 4 -9.137 11.025 -0.121 31 HG21 THR 4 HG21 THR 4 -12.498 9.901 -0.079 32 HG22 THR 4 HG22 THR 4 -12.684 10.838 1.403 33 HG23 THR 4 HG23 THR 4 -11.390 9.647 1.270 34 H VAL 5 H VAL 5 -14.211 12.721 -1.522 35 HA VAL 5 HA VAL 5 -14.966 14.514 0.625 36 HB VAL 5 HB VAL 5 -16.658 13.445 -1.641 37 HG11 VAL 5 HG11 VAL 5 -17.980 14.241 0.245 38 HG12 VAL 5 HG12 VAL 5 -18.136 15.325 -1.137 39 HG13 VAL 5 HG13 VAL 5 -17.105 15.773 0.222 40 HG21 VAL 5 HG21 VAL 5 -14.751 14.712 -2.483 41 HG22 VAL 5 HG22 VAL 5 -15.161 16.054 -1.414 42 HG23 VAL 5 HG23 VAL 5 -16.254 15.602 -2.723 43 H LYS 6 H LYS 6 -16.253 11.459 -0.697 44 HA LYS 6 HA LYS 6 -16.593 10.306 1.873 45 HB2 LYS 6 HB2 LYS 6 -18.466 11.863 1.988 46 HB3 LYS 6 HB3 LYS 6 -19.077 11.235 0.476 47 HG2 LYS 6 HG2 LYS 6 -19.391 9.039 1.522 48 HG3 LYS 6 HG3 LYS 6 -18.853 9.736 3.044 49 HD2 LYS 6 HD2 LYS 6 -20.718 11.284 3.037 50 HD3 LYS 6 HD3 LYS 6 -21.236 10.670 1.471 51 HE2 LYS 6 HE2 LYS 6 -21.566 8.451 2.478 52 HE3 LYS 6 HE3 LYS 6 -21.122 9.126 4.039 53 HZ1 LYS 6 HZ1 LYS 6 -23.446 9.953 2.397 54 HZ2 LYS 6 HZ2 LYS 6 -23.015 10.623 3.887 55 HZ3 LYS 6 HZ3 LYS 6 -23.510 9.010 3.799 56 H LEU 7 H LEU 7 -17.740 10.307 -1.479 57 HA LEU 7 HA LEU 7 -18.369 7.523 -1.444 58 HB2 LEU 7 HB2 LEU 7 -18.123 9.393 -3.748 59 HB3 LEU 7 HB3 LEU 7 -18.799 7.791 -3.833 60 HG LEU 7 HG LEU 7 -19.932 10.113 -2.273 61 HD11 LEU 7 HD11 LEU 7 -20.886 8.755 -4.788 62 HD12 LEU 7 HD12 LEU 7 -20.196 10.373 -4.680 63 HD13 LEU 7 HD13 LEU 7 -21.743 10.021 -3.911 64 HD21 LEU 7 HD21 LEU 7 -20.939 7.308 -2.671 65 HD22 LEU 7 HD22 LEU 7 -21.850 8.618 -1.921 66 HD23 LEU 7 HD23 LEU 7 -20.377 8.017 -1.159 67 H ASN 8 H ASN 8 -16.197 9.111 -3.772 68 HA ASN 8 HA ASN 8 -14.611 6.650 -3.784 69 HB2 ASN 8 HB2 ASN 8 -14.039 9.010 -5.563 70 HB3 ASN 8 HB3 ASN 8 -13.684 7.327 -5.834 71 HD21 ASN 8 HD21 ASN 8 -15.059 9.263 -7.514 72 HD22 ASN 8 HD22 ASN 8 -16.590 8.552 -7.870 73 H HIS 9 H HIS 9 -12.629 6.551 -2.892 74 HA HIS 9 HA HIS 9 -11.583 8.947 -1.561 75 HB2 HIS 9 HB2 HIS 9 -10.502 6.141 -1.302 76 HB3 HIS 9 HB3 HIS 9 -10.330 7.479 -0.173 77 HD1 HIS 9 HD1 HIS 9 -12.438 4.590 -0.969 78 HD2 HIS 9 HD2 HIS 9 -12.757 8.042 1.318 79 HE1 HIS 9 HE1 HIS 9 -14.401 4.213 0.547 80 HE2 HIS 9 HE2 HIS 9 -14.475 6.245 2.030 81 H THR 10 H THR 10 -9.694 9.899 -2.254 82 HA THR 10 HA THR 10 -8.757 9.091 -4.842 83 HB THR 10 HB THR 10 -7.437 11.116 -3.041 84 HG1 THR 10 HG1 THR 10 -9.888 11.196 -4.049 85 HG21 THR 10 HG21 THR 10 -6.724 12.073 -5.222 86 HG22 THR 10 HG22 THR 10 -7.463 10.694 -6.032 87 HG23 THR 10 HG23 THR 10 -6.096 10.450 -4.947 88 H CYS 11 H CYS 11 -7.180 7.777 -5.358 89 HA CYS 11 HA CYS 11 -5.790 6.260 -3.402 90 HB2 CYS 11 HB2 CYS 11 -6.328 5.593 -5.778 91 HB3 CYS 11 HB3 CYS 11 -5.058 6.669 -6.280 92 H VAL 12 H VAL 12 -3.928 6.635 -2.370 93 HA VAL 12 HA VAL 12 -2.431 9.012 -2.709 94 HB VAL 12 HB VAL 12 -0.725 7.953 -1.265 95 HG11 VAL 12 HG11 VAL 12 -2.142 7.621 0.723 96 HG12 VAL 12 HG12 VAL 12 -3.564 7.625 -0.324 97 HG13 VAL 12 HG13 VAL 12 -2.561 9.071 -0.192 98 HG21 VAL 12 HG21 VAL 12 -0.904 5.665 -2.097 99 HG22 VAL 12 HG22 VAL 12 -2.508 5.525 -1.379 100 HG23 VAL 12 HG23 VAL 12 -1.093 5.726 -0.345 101 H ILE 13 H ILE 13 -2.493 6.118 -4.489 102 HA ILE 13 HA ILE 13 0.308 6.288 -5.274 103 HB ILE 13 HB ILE 13 -1.676 4.265 -6.223 104 HG12 ILE 13 HG12 ILE 13 -1.638 4.355 -3.744 105 HG13 ILE 13 HG13 ILE 13 -1.052 2.846 -4.407 106 HG21 ILE 13 HG21 ILE 13 1.317 4.170 -5.936 107 HG22 ILE 13 HG22 ILE 13 0.447 4.455 -7.442 108 HG23 ILE 13 HG23 ILE 13 0.291 2.906 -6.614 109 HD11 ILE 13 HD11 ILE 13 0.644 5.086 -3.409 110 HD12 ILE 13 HD12 ILE 13 1.226 3.555 -4.063 111 HD13 ILE 13 HD13 ILE 13 0.299 3.583 -2.559 112 H CYS 14 H CYS 14 -2.793 5.827 -7.005 113 HA CYS 14 HA CYS 14 -1.524 6.966 -9.327 114 HB2 CYS 14 HB2 CYS 14 -3.369 5.980 -10.605 115 HB3 CYS 14 HB3 CYS 14 -2.483 4.795 -9.677 116 H ASP 15 H ASP 15 -3.157 8.119 -6.861 117 HA ASP 15 HA ASP 15 -4.327 9.993 -6.402 118 HB2 ASP 15 HB2 ASP 15 -3.039 10.827 -8.980 119 HB3 ASP 15 HB3 ASP 15 -3.866 11.917 -7.881 120 H GLN 16 H GLN 16 -5.774 8.001 -7.778 121 HA GLN 16 HA GLN 16 -7.721 9.583 -9.271 122 HB2 GLN 16 HB2 GLN 16 -7.328 6.592 -9.176 123 HB3 GLN 16 HB3 GLN 16 -8.509 7.442 -10.159 124 HG2 GLN 16 HG2 GLN 16 -5.543 7.620 -10.391 125 HG3 GLN 16 HG3 GLN 16 -6.620 6.766 -11.472 126 HE21 GLN 16 HE21 GLN 16 -4.741 8.850 -12.058 127 HE22 GLN 16 HE22 GLN 16 -5.645 10.139 -12.758 128 H GLU 17 H GLU 17 -9.829 9.553 -8.654 129 HA GLU 17 HA GLU 17 -10.380 9.056 -5.895 130 HB2 GLU 17 HB2 GLU 17 -12.102 10.085 -8.144 131 HB3 GLU 17 HB3 GLU 17 -12.661 9.915 -6.488 132 HG2 GLU 17 HG2 GLU 17 -11.182 11.547 -5.699 133 HG3 GLU 17 HG3 GLU 17 -10.247 11.525 -7.190 134 H LYS 18 H LYS 18 -10.538 7.050 -5.375 135 HA LYS 18 HA LYS 18 -12.296 5.266 -6.939 136 HB2 LYS 18 HB2 LYS 18 -10.114 4.128 -5.261 137 HB3 LYS 18 HB3 LYS 18 -10.856 3.497 -6.718 138 HG2 LYS 18 HG2 LYS 18 -8.864 5.736 -6.550 139 HG3 LYS 18 HG3 LYS 18 -8.567 4.109 -7.143 140 HD2 LYS 18 HD2 LYS 18 -10.633 5.835 -8.386 141 HD3 LYS 18 HD3 LYS 18 -8.964 6.018 -8.815 142 HE2 LYS 18 HE2 LYS 18 -10.029 4.609 -10.421 143 HE3 LYS 18 HE3 LYS 18 -8.909 3.678 -9.454 144 HZ1 LYS 18 HZ1 LYS 18 -10.682 2.684 -8.266 145 HZ2 LYS 18 HZ2 LYS 18 -11.080 2.579 -9.903 146 HZ3 LYS 18 HZ3 LYS 18 -11.814 3.748 -8.930 147 H ASN 19 H ASN 19 -13.992 4.561 -5.881 148 HA ASN 19 HA ASN 19 -14.308 4.929 -3.066 149 HB2 ASN 19 HB2 ASN 19 -16.245 5.173 -4.396 150 HB3 ASN 19 HB3 ASN 19 -15.958 3.651 -5.197 151 HD21 ASN 19 HD21 ASN 19 -17.939 2.786 -4.765 152 HD22 ASN 19 HD22 ASN 19 -18.452 2.340 -3.142 153 H ARG 20 H ARG 20 -13.239 2.345 -5.128 154 HA ARG 20 HA ARG 20 -13.360 0.492 -2.854 155 HB2 ARG 20 HB2 ARG 20 -14.367 -0.083 -5.175 156 HB3 ARG 20 HB3 ARG 20 -12.703 -0.388 -5.626 157 HG2 ARG 20 HG2 ARG 20 -12.481 -2.075 -3.991 158 HG3 ARG 20 HG3 ARG 20 -14.004 -1.633 -3.253 159 HD2 ARG 20 HD2 ARG 20 -15.255 -2.409 -5.061 160 HD3 ARG 20 HD3 ARG 20 -13.811 -2.570 -6.031 161 HE ARG 20 HE ARG 20 -13.328 -4.244 -3.963 162 HH11 ARG 20 HH11 ARG 20 -16.007 -3.925 -6.201 163 HH12 ARG 20 HH12 ARG 20 -16.489 -5.584 -6.049 164 HH21 ARG 20 HH21 ARG 20 -13.948 -6.403 -3.770 165 HH22 ARG 20 HH22 ARG 20 -15.296 -7.006 -4.688 166 H GLY 21 H GLY 21 -11.652 -0.613 -2.152 167 HA2 GLY 21 HA2 GLY 21 -9.165 -1.085 -2.616 168 HA3 GLY 21 HA3 GLY 21 -9.042 0.672 -2.621 169 H ILE 22 H ILE 22 -7.613 0.352 -0.601 170 HA ILE 22 HA ILE 22 -9.368 -0.205 1.680 171 HB ILE 22 HB ILE 22 -7.748 -1.395 2.789 172 HG12 ILE 22 HG12 ILE 22 -5.754 -0.044 1.006 173 HG13 ILE 22 HG13 ILE 22 -6.050 0.295 2.670 174 HG21 ILE 22 HG21 ILE 22 -7.421 -1.914 -0.146 175 HG22 ILE 22 HG22 ILE 22 -8.315 -2.852 1.052 176 HG23 ILE 22 HG23 ILE 22 -6.548 -2.864 1.055 177 HD11 ILE 22 HD11 ILE 22 -4.996 -2.307 1.634 178 HD12 ILE 22 HD12 ILE 22 -5.204 -1.845 3.325 179 HD13 ILE 22 HD13 ILE 22 -4.017 -1.014 2.323 180 H HIS 23 H HIS 23 -7.981 0.544 3.681 181 HA HIS 23 HA HIS 23 -6.780 3.109 3.384 182 HB2 HIS 23 HB2 HIS 23 -8.520 4.338 4.712 183 HB3 HIS 23 HB3 HIS 23 -9.049 3.883 3.112 184 HD1 HIS 23 HD1 HIS 23 -9.819 3.445 6.706 185 HD2 HIS 23 HD2 HIS 23 -10.988 1.873 3.064 186 HE1 HIS 23 HE1 HIS 23 -11.973 2.234 7.167 187 HE2 HIS 23 HE2 HIS 23 -12.757 1.443 4.907 188 H LEU 24 H LEU 24 -5.204 3.017 4.824 189 HA LEU 24 HA LEU 24 -5.355 1.064 6.930 190 HB2 LEU 24 HB2 LEU 24 -3.175 2.929 6.021 191 HB3 LEU 24 HB3 LEU 24 -3.001 1.746 7.266 192 HG LEU 24 HG LEU 24 -3.595 1.109 4.391 193 HD11 LEU 24 HD11 LEU 24 -1.071 0.782 6.009 194 HD12 LEU 24 HD12 LEU 24 -1.325 1.921 4.688 195 HD13 LEU 24 HD13 LEU 24 -1.322 0.189 4.369 196 HD21 LEU 24 HD21 LEU 24 -3.050 -0.672 6.761 197 HD22 LEU 24 HD22 LEU 24 -3.154 -1.212 5.084 198 HD23 LEU 24 HD23 LEU 24 -4.573 -0.531 5.879 199 H TYR 25 H TYR 25 -4.147 4.366 6.854 200 HA TYR 25 HA TYR 25 -5.096 4.734 9.565 201 HB2 TYR 25 HB2 TYR 25 -3.260 6.442 7.934 202 HB3 TYR 25 HB3 TYR 25 -3.676 6.743 9.607 203 HD1 TYR 25 HD1 TYR 25 -3.225 3.273 8.734 204 HD2 TYR 25 HD2 TYR 25 -1.161 6.779 9.960 205 HE1 TYR 25 HE1 TYR 25 -1.321 1.896 9.405 206 HE2 TYR 25 HE2 TYR 25 0.752 5.407 10.658 207 HH TYR 25 HH TYR 25 1.223 3.095 11.318 208 H THR 26 H THR 26 -4.657 7.561 7.731 209 HA THR 26 HA THR 26 -7.555 7.827 7.363 210 HB THR 26 HB THR 26 -6.595 9.571 8.755 211 HG1 THR 26 HG1 THR 26 -8.216 10.440 7.586 212 HG21 THR 26 HG21 THR 26 -4.835 10.258 6.406 213 HG22 THR 26 HG22 THR 26 -4.303 9.463 7.887 214 HG23 THR 26 HG23 THR 26 -4.916 11.115 7.947 215 H LYS 27 H LYS 27 -4.986 6.788 5.634 216 HA LYS 27 HA LYS 27 -5.807 8.244 3.210 217 HB2 LYS 27 HB2 LYS 27 -3.643 7.134 2.283 218 HB3 LYS 27 HB3 LYS 27 -3.547 8.580 3.276 219 HG2 LYS 27 HG2 LYS 27 -3.355 5.891 4.540 220 HG3 LYS 27 HG3 LYS 27 -1.954 6.598 3.729 221 HD2 LYS 27 HD2 LYS 27 -3.535 7.791 5.995 222 HD3 LYS 27 HD3 LYS 27 -1.901 7.168 6.068 223 HE2 LYS 27 HE2 LYS 27 -1.563 8.941 4.109 224 HE3 LYS 27 HE3 LYS 27 -2.919 9.702 4.927 225 HZ1 LYS 27 HZ1 LYS 27 -0.186 9.291 5.861 226 HZ2 LYS 27 HZ2 LYS 27 -1.416 9.274 7.001 227 HZ3 LYS 27 HZ3 LYS 27 -1.188 10.636 6.036 228 H PHE 28 H PHE 28 -5.222 6.859 1.217 229 HA PHE 28 HA PHE 28 -6.578 4.281 1.430 230 HB2 PHE 28 HB2 PHE 28 -8.387 5.776 1.065 231 HB3 PHE 28 HB3 PHE 28 -7.466 6.724 -0.092 232 HD1 PHE 28 HD1 PHE 28 -9.437 3.704 0.439 233 HD2 PHE 28 HD2 PHE 28 -7.235 5.996 -2.392 234 HE1 PHE 28 HE1 PHE 28 -10.420 2.391 -1.389 235 HE2 PHE 28 HE2 PHE 28 -8.210 4.685 -4.218 236 HZ PHE 28 HZ PHE 28 -9.797 2.860 -3.725 237 H ILE 29 H ILE 29 -5.304 2.890 0.396 238 HA ILE 29 HA ILE 29 -4.077 3.709 -2.143 239 HB ILE 29 HB ILE 29 -3.891 1.007 -0.786 240 HG12 ILE 29 HG12 ILE 29 -1.395 1.854 -0.551 241 HG13 ILE 29 HG13 ILE 29 -2.150 3.439 -0.569 242 HG21 ILE 29 HG21 ILE 29 -3.649 1.008 -3.226 243 HG22 ILE 29 HG22 ILE 29 -2.126 0.591 -2.419 244 HG23 ILE 29 HG23 ILE 29 -2.353 2.207 -3.084 245 HD11 ILE 29 HD11 ILE 29 -1.701 2.465 1.699 246 HD12 ILE 29 HD12 ILE 29 -2.945 1.268 1.347 247 HD13 ILE 29 HD13 ILE 29 -3.363 2.979 1.411 248 H CYS 30 H CYS 30 -5.186 3.233 -4.016 249 HA CYS 30 HA CYS 30 -7.750 2.013 -3.749 250 HB2 CYS 30 HB2 CYS 30 -8.146 2.486 -5.967 251 HB3 CYS 30 HB3 CYS 30 -6.946 3.709 -5.579 252 H LEU 31 H LEU 31 -8.432 0.193 -4.774 253 HA LEU 31 HA LEU 31 -7.238 -2.017 -3.767 254 HB2 LEU 31 HB2 LEU 31 -9.029 -3.146 -4.618 255 HB3 LEU 31 HB3 LEU 31 -9.633 -1.527 -4.539 256 HG LEU 31 HG LEU 31 -8.824 -1.472 -7.062 257 HD11 LEU 31 HD11 LEU 31 -7.890 -3.740 -7.025 258 HD12 LEU 31 HD12 LEU 31 -9.211 -3.594 -8.183 259 HD13 LEU 31 HD13 LEU 31 -9.484 -4.385 -6.630 260 HD21 LEU 31 HD21 LEU 31 -11.068 -1.005 -6.369 261 HD22 LEU 31 HD22 LEU 31 -11.378 -2.712 -6.060 262 HD23 LEU 31 HD23 LEU 31 -11.117 -2.147 -7.710 263 H ASP 32 H ASP 32 -6.497 -0.478 -6.700 264 HA ASP 32 HA ASP 32 -5.571 -2.843 -8.074 265 HB2 ASP 32 HB2 ASP 32 -6.598 -0.770 -9.164 266 HB3 ASP 32 HB3 ASP 32 -5.049 -0.020 -8.858 267 H CYS 33 H CYS 33 -4.307 0.057 -6.710 268 HA CYS 33 HA CYS 33 -1.573 -0.549 -6.983 269 HB2 CYS 33 HB2 CYS 33 -2.908 1.523 -5.268 270 HB3 CYS 33 HB3 CYS 33 -1.201 1.404 -5.594 271 H GLU 34 H GLU 34 -3.986 -0.854 -4.564 272 HA GLU 34 HA GLU 34 -2.445 -1.590 -2.410 273 HB2 GLU 34 HB2 GLU 34 -4.789 -1.012 -2.240 274 HB3 GLU 34 HB3 GLU 34 -5.247 -2.438 -3.149 275 HG2 GLU 34 HG2 GLU 34 -3.823 -2.552 -0.507 276 HG3 GLU 34 HG3 GLU 34 -5.556 -2.532 -0.671 277 H ARG 35 H ARG 35 -3.640 -3.522 -5.112 278 HA ARG 35 HA ARG 35 -2.394 -5.907 -4.126 279 HB2 ARG 35 HB2 ARG 35 -3.231 -5.313 -6.966 280 HB3 ARG 35 HB3 ARG 35 -2.939 -6.900 -6.266 281 HG2 ARG 35 HG2 ARG 35 -4.851 -6.701 -4.853 282 HG3 ARG 35 HG3 ARG 35 -5.100 -5.028 -5.354 283 HD2 ARG 35 HD2 ARG 35 -5.372 -7.506 -7.034 284 HD3 ARG 35 HD3 ARG 35 -6.638 -6.399 -6.526 285 HE ARG 35 HE ARG 35 -5.112 -4.754 -7.925 286 HH11 ARG 35 HH11 ARG 35 -6.162 -8.005 -8.650 287 HH12 ARG 35 HH12 ARG 35 -6.211 -7.755 -10.363 288 HH21 ARG 35 HH21 ARG 35 -5.196 -4.394 -10.205 289 HH22 ARG 35 HH22 ARG 35 -5.652 -5.711 -11.245 290 H LYS 36 H LYS 36 -1.419 -3.264 -6.014 291 HA LYS 36 HA LYS 36 0.633 -4.398 -7.538 292 HB2 LYS 36 HB2 LYS 36 0.325 -1.622 -6.514 293 HB3 LYS 36 HB3 LYS 36 1.500 -2.102 -7.715 294 HG2 LYS 36 HG2 LYS 36 -0.477 -2.810 -9.102 295 HG3 LYS 36 HG3 LYS 36 -1.484 -2.014 -7.964 296 HD2 LYS 36 HD2 LYS 36 -0.134 -0.026 -8.404 297 HD3 LYS 36 HD3 LYS 36 0.667 -0.871 -9.699 298 HE2 LYS 36 HE2 LYS 36 -2.277 -0.255 -9.487 299 HE3 LYS 36 HE3 LYS 36 -1.121 0.498 -10.579 300 HZ1 LYS 36 HZ1 LYS 36 -0.875 -1.487 -11.783 301 HZ2 LYS 36 HZ2 LYS 36 -2.543 -1.302 -11.550 302 HZ3 LYS 36 HZ3 LYS 36 -1.674 -2.405 -10.610 303 H VAL 37 H VAL 37 0.439 -2.946 -4.422 304 HA VAL 37 HA VAL 37 3.092 -2.736 -3.794 305 HB VAL 37 HB VAL 37 2.426 -2.735 -1.455 306 HG11 VAL 37 HG11 VAL 37 0.398 -1.220 -3.083 307 HG12 VAL 37 HG12 VAL 37 2.080 -0.719 -2.906 308 HG13 VAL 37 HG13 VAL 37 1.029 -0.790 -1.492 309 HG21 VAL 37 HG21 VAL 37 0.849 -4.340 -1.139 310 HG22 VAL 37 HG22 VAL 37 -0.111 -3.831 -2.536 311 HG23 VAL 37 HG23 VAL 37 -0.109 -2.860 -1.057 312 H ILE 38 H ILE 38 0.903 -5.365 -3.161 313 HA ILE 38 HA ILE 38 2.527 -7.053 -1.656 314 HB ILE 38 HB ILE 38 0.494 -8.118 -3.590 315 HG12 ILE 38 HG12 ILE 38 -0.039 -6.421 -1.177 316 HG13 ILE 38 HG13 ILE 38 -0.689 -6.255 -2.788 317 HG21 ILE 38 HG21 ILE 38 1.346 -8.862 -0.810 318 HG22 ILE 38 HG22 ILE 38 1.580 -9.776 -2.296 319 HG23 ILE 38 HG23 ILE 38 -0.040 -9.580 -1.628 320 HD11 ILE 38 HD11 ILE 38 -1.330 -8.689 -1.197 321 HD12 ILE 38 HD12 ILE 38 -2.247 -7.911 -2.486 322 HD13 ILE 38 HD13 ILE 38 -2.181 -7.178 -0.881 323 H SER 39 H SER 39 2.151 -6.440 -4.999 324 HA SER 39 HA SER 39 3.537 -8.778 -5.793 325 HB2 SER 39 HB2 SER 39 1.776 -7.781 -7.217 326 HB3 SER 39 HB3 SER 39 2.802 -6.369 -7.461 327 HG SER 39 HG SER 39 3.626 -9.001 -8.126 328 H THR 40 H THR 40 4.325 -5.548 -5.025 329 HA THR 40 HA THR 40 6.867 -5.482 -6.393 330 HB THR 40 HB THR 40 5.653 -3.543 -4.421 331 HG1 THR 40 HG1 THR 40 4.369 -3.792 -6.298 332 HG21 THR 40 HG21 THR 40 7.860 -3.122 -6.440 333 HG22 THR 40 HG22 THR 40 8.088 -3.273 -4.698 334 HG23 THR 40 HG23 THR 40 7.187 -1.905 -5.353 335 H SER 41 H SER 41 5.702 -5.996 -3.108 336 HA SER 41 HA SER 41 8.232 -5.440 -1.877 337 HB2 SER 41 HB2 SER 41 6.999 -6.279 0.175 338 HB3 SER 41 HB3 SER 41 6.302 -4.878 -0.641 339 HG SER 41 HG SER 41 4.568 -6.102 -0.531 340 H THR 42 H THR 42 6.879 -8.236 -3.274 341 HA THR 42 HA THR 42 7.971 -10.106 -1.407 342 HB THR 42 HB THR 42 7.242 -11.805 -3.143 343 HG1 THR 42 HG1 THR 42 7.169 -9.711 -4.702 344 HG21 THR 42 HG21 THR 42 5.191 -9.813 -2.165 345 HG22 THR 42 HG22 THR 42 5.872 -11.131 -1.210 346 HG23 THR 42 HG23 THR 42 4.879 -11.490 -2.621 347 H SER 43 H SER 43 9.964 -8.452 -2.289 348 HA SER 43 HA SER 43 11.911 -10.413 -3.096 349 HB2 SER 43 HB2 SER 43 11.487 -7.927 -4.786 350 HB3 SER 43 HB3 SER 43 12.839 -9.046 -4.946 351 HG SER 43 HG SER 43 10.593 -10.465 -5.023 352 H ASP 44 H ASP 44 11.403 -9.036 -0.710 353 HA ASP 44 HA ASP 44 13.831 -7.427 -0.478 354 HB2 ASP 44 HB2 ASP 44 12.144 -5.740 -0.718 355 HB3 ASP 44 HB3 ASP 44 11.115 -6.517 0.477 356 HA PRO 45 HA PRO 45 12.470 -8.791 4.000 357 HB2 PRO 45 HB2 PRO 45 10.770 -11.140 3.441 358 HB3 PRO 45 HB3 PRO 45 10.550 -9.846 4.623 359 HG2 PRO 45 HG2 PRO 45 9.038 -9.996 2.422 360 HG3 PRO 45 HG3 PRO 45 9.553 -8.445 3.084 361 HD2 PRO 45 HD2 PRO 45 10.599 -9.921 0.748 362 HD3 PRO 45 HD3 PRO 45 10.346 -8.187 0.953 363 H ASP 46 H ASP 46 13.106 -10.628 5.328 364 HA ASP 46 HA ASP 46 14.517 -12.281 5.922 365 HB2 ASP 46 HB2 ASP 46 13.978 -13.275 3.125 366 HB3 ASP 46 HB3 ASP 46 14.980 -14.144 4.277 367 H TYR 47 H TYR 47 15.395 -9.785 4.696 368 HA TYR 47 HA TYR 47 18.183 -10.573 4.345 369 HB2 TYR 47 HB2 TYR 47 16.588 -8.804 2.548 370 HB3 TYR 47 HB3 TYR 47 18.311 -8.537 2.737 371 HD1 TYR 47 HD1 TYR 47 19.903 -10.343 2.072 372 HD2 TYR 47 HD2 TYR 47 15.753 -10.553 1.178 373 HE1 TYR 47 HE1 TYR 47 20.364 -12.051 0.367 374 HE2 TYR 47 HE2 TYR 47 16.200 -12.265 -0.531 375 HH TYR 47 HH TYR 47 19.190 -13.864 -0.791 376 H ALA 48 H ALA 48 19.603 -9.315 5.418 377 HA ALA 48 HA ALA 48 18.547 -7.539 7.395 378 HB1 ALA 48 HB1 ALA 48 20.851 -7.341 8.153 379 HB2 ALA 48 HB2 ALA 48 21.413 -8.167 6.698 380 HB3 ALA 48 HB3 ALA 48 20.425 -9.029 7.877 381 H1 SER 0 H1 SER 0 0.629 13.859 7.554 382 H2 SER 0 H2 SER 0 1.035 12.872 6.241 383 H3 SER 0 H3 SER 0 -0.564 13.388 6.452 384 HA SER 0 HA SER 0 0.467 14.648 4.714 385 HB2 SER 0 HB2 SER 0 0.193 16.944 5.787 386 HB3 SER 0 HB3 SER 0 -1.178 15.849 5.948 387 HG SER 0 HG SER 0 0.527 16.857 7.878 388 H MET 1 H MET 1 2.071 16.132 4.036 389 HA MET 1 HA MET 1 4.116 17.066 3.856 390 HB2 MET 1 HB2 MET 1 3.777 18.113 6.012 391 HB3 MET 1 HB3 MET 1 4.267 16.643 6.844 392 HG2 MET 1 HG2 MET 1 6.027 18.343 6.829 393 HG3 MET 1 HG3 MET 1 6.517 16.867 6.000 394 HE1 MET 1 HE1 MET 1 8.169 19.487 5.676 395 HE2 MET 1 HE2 MET 1 8.409 19.565 3.931 396 HE3 MET 1 HE3 MET 1 8.535 18.018 4.769 397 H ASP 2 H ASP 2 5.164 15.697 2.589 398 HA ASP 2 HA ASP 2 6.662 13.520 3.875 399 HB2 ASP 2 HB2 ASP 2 6.748 12.411 1.704 400 HB3 ASP 2 HB3 ASP 2 5.077 12.747 2.135 401 H GLU 3 H GLU 3 8.856 13.285 3.414 402 HA GLU 3 HA GLU 3 10.122 15.418 1.873 403 HB2 GLU 3 HB2 GLU 3 9.983 16.146 4.264 404 HB3 GLU 3 HB3 GLU 3 10.951 14.745 4.699 405 HG2 GLU 3 HG2 GLU 3 12.828 15.576 3.489 406 HG3 GLU 3 HG3 GLU 3 11.867 16.880 2.792 407 H THR 4 H THR 4 10.411 13.623 0.439 408 HA THR 4 HA THR 4 12.348 11.604 1.288 409 HB THR 4 HB THR 4 10.762 11.823 -1.275 410 HG1 THR 4 HG1 THR 4 9.244 10.866 -0.157 411 HG21 THR 4 HG21 THR 4 12.584 9.678 -0.197 412 HG22 THR 4 HG22 THR 4 12.788 10.607 -1.682 413 HG23 THR 4 HG23 THR 4 11.475 9.439 -1.547 414 H VAL 5 H VAL 5 14.347 12.473 1.238 415 HA VAL 5 HA VAL 5 15.136 14.244 -0.915 416 HB VAL 5 HB VAL 5 16.809 13.157 1.355 417 HG11 VAL 5 HG11 VAL 5 18.143 13.924 -0.535 418 HG12 VAL 5 HG12 VAL 5 18.316 15.013 0.842 419 HG13 VAL 5 HG13 VAL 5 17.292 15.469 -0.518 420 HG21 VAL 5 HG21 VAL 5 14.920 14.460 2.189 421 HG22 VAL 5 HG22 VAL 5 15.355 15.789 1.115 422 HG23 VAL 5 HG23 VAL 5 16.438 15.326 2.427 423 H LYS 6 H LYS 6 16.368 11.174 0.419 424 HA LYS 6 HA LYS 6 16.688 10.008 -2.147 425 HB2 LYS 6 HB2 LYS 6 18.587 11.530 -2.271 426 HB3 LYS 6 HB3 LYS 6 19.188 10.898 -0.757 427 HG2 LYS 6 HG2 LYS 6 19.466 8.694 -1.796 428 HG3 LYS 6 HG3 LYS 6 18.936 9.395 -3.320 429 HD2 LYS 6 HD2 LYS 6 20.829 10.906 -3.320 430 HD3 LYS 6 HD3 LYS 6 21.339 10.300 -1.749 431 HE2 LYS 6 HE2 LYS 6 21.623 8.074 -2.749 432 HE3 LYS 6 HE3 LYS 6 21.194 8.739 -4.320 433 HZ1 LYS 6 HZ1 LYS 6 23.533 9.534 -2.671 434 HZ2 LYS 6 HZ2 LYS 6 23.118 10.203 -4.165 435 HZ3 LYS 6 HZ3 LYS 6 23.580 8.581 -4.067 436 H LEU 7 H LEU 7 17.829 9.998 1.206 437 HA LEU 7 HA LEU 7 18.413 7.204 1.179 438 HB2 LEU 7 HB2 LEU 7 18.199 9.089 3.474 439 HB3 LEU 7 HB3 LEU 7 18.849 7.476 3.567 440 HG LEU 7 HG LEU 7 20.020 9.773 1.998 441 HD11 LEU 7 HD11 LEU 7 20.951 8.410 4.520 442 HD12 LEU 7 HD12 LEU 7 20.290 10.041 4.405 443 HD13 LEU 7 HD13 LEU 7 21.831 9.657 3.637 444 HD21 LEU 7 HD21 LEU 7 20.978 6.951 2.410 445 HD22 LEU 7 HD22 LEU 7 21.914 8.241 1.656 446 HD23 LEU 7 HD23 LEU 7 20.432 7.666 0.895 447 H ASN 8 H ASN 8 16.269 8.840 3.498 448 HA ASN 8 HA ASN 8 14.642 6.405 3.519 449 HB2 ASN 8 HB2 ASN 8 14.111 8.780 5.291 450 HB3 ASN 8 HB3 ASN 8 13.728 7.104 5.569 451 HD21 ASN 8 HD21 ASN 8 15.133 9.025 7.239 452 HD22 ASN 8 HD22 ASN 8 16.652 8.289 7.599 453 H HIS 9 H HIS 9 12.658 6.339 2.627 454 HA HIS 9 HA HIS 9 11.655 8.746 1.286 455 HB2 HIS 9 HB2 HIS 9 10.526 5.959 1.037 456 HB3 HIS 9 HB3 HIS 9 10.377 7.294 -0.097 457 HD1 HIS 9 HD1 HIS 9 12.430 4.367 0.705 458 HD2 HIS 9 HD2 HIS 9 12.812 7.810 -1.588 459 HE1 HIS 9 HE1 HIS 9 14.389 3.954 -0.805 460 HE2 HIS 9 HE2 HIS 9 14.508 5.987 -2.289 461 H THR 10 H THR 10 9.780 9.734 1.975 462 HA THR 10 HA THR 10 8.831 8.952 4.566 463 HB THR 10 HB THR 10 7.544 10.991 2.758 464 HG1 THR 10 HG1 THR 10 9.996 11.032 3.768 465 HG21 THR 10 HG21 THR 10 6.847 11.969 4.937 466 HG22 THR 10 HG22 THR 10 7.563 10.581 5.752 467 HG23 THR 10 HG23 THR 10 6.190 10.355 4.670 468 H CYS 11 H CYS 11 7.235 7.661 5.085 469 HA CYS 11 HA CYS 11 5.815 6.166 3.135 470 HB2 CYS 11 HB2 CYS 11 6.341 5.500 5.515 471 HB3 CYS 11 HB3 CYS 11 5.093 6.601 6.011 472 H VAL 12 H VAL 12 3.961 6.570 2.105 473 HA VAL 12 HA VAL 12 2.506 8.975 2.432 474 HB VAL 12 HB VAL 12 0.781 7.939 0.990 475 HG11 VAL 12 HG11 VAL 12 2.193 7.574 -0.994 476 HG12 VAL 12 HG12 VAL 12 3.615 7.558 0.054 477 HG13 VAL 12 HG13 VAL 12 2.638 9.020 -0.085 478 HG21 VAL 12 HG21 VAL 12 0.920 5.652 1.832 479 HG22 VAL 12 HG22 VAL 12 2.522 5.481 1.115 480 HG23 VAL 12 HG23 VAL 12 1.111 5.704 0.080 481 H ILE 13 H ILE 13 2.517 6.087 4.222 482 HA ILE 13 HA ILE 13 -0.281 6.308 5.006 483 HB ILE 13 HB ILE 13 1.667 4.255 5.964 484 HG12 ILE 13 HG12 ILE 13 1.634 4.334 3.484 485 HG13 ILE 13 HG13 ILE 13 1.019 2.838 4.154 486 HG21 ILE 13 HG21 ILE 13 -1.326 4.211 5.677 487 HG22 ILE 13 HG22 ILE 13 -0.451 4.484 7.181 488 HG23 ILE 13 HG23 ILE 13 -0.323 2.931 6.359 489 HD11 ILE 13 HD11 ILE 13 -0.636 5.105 3.145 490 HD12 ILE 13 HD12 ILE 13 -1.244 3.587 3.805 491 HD13 ILE 13 HD13 ILE 13 -0.315 3.592 2.301 492 H CYS 14 H CYS 14 2.809 5.798 6.742 493 HA CYS 14 HA CYS 14 1.561 6.970 9.057 494 HB2 CYS 14 HB2 CYS 14 3.389 5.956 10.341 495 HB3 CYS 14 HB3 CYS 14 2.482 4.784 9.417 496 H ASP 15 H ASP 15 3.214 8.088 6.587 497 HA ASP 15 HA ASP 15 4.412 9.941 6.127 498 HB2 ASP 15 HB2 ASP 15 3.150 10.805 8.681 499 HB3 ASP 15 HB3 ASP 15 3.979 11.894 7.589 500 H GLN 16 H GLN 16 5.842 7.910 7.507 501 HA GLN 16 HA GLN 16 7.804 9.479 8.995 502 HB2 GLN 16 HB2 GLN 16 7.360 6.494 8.911 503 HB3 GLN 16 HB3 GLN 16 8.555 7.324 9.894 504 HG2 GLN 16 HG2 GLN 16 5.594 7.556 10.120 505 HG3 GLN 16 HG3 GLN 16 6.654 6.687 11.206 506 HE21 GLN 16 HE21 GLN 16 4.813 8.805 11.785 507 HE22 GLN 16 HE22 GLN 16 5.743 10.080 12.479 508 H GLU 17 H GLU 17 9.916 9.402 8.385 509 HA GLU 17 HA GLU 17 10.455 8.891 5.622 510 HB2 GLU 17 HB2 GLU 17 12.194 9.900 7.867 511 HB3 GLU 17 HB3 GLU 17 12.750 9.713 6.211 512 HG2 GLU 17 HG2 GLU 17 11.300 11.367 5.415 513 HG3 GLU 17 HG3 GLU 17 10.364 11.367 6.907 514 H LYS 18 H LYS 18 10.574 6.883 5.109 515 HA LYS 18 HA LYS 18 12.303 5.075 6.679 516 HB2 LYS 18 HB2 LYS 18 10.101 3.968 5.005 517 HB3 LYS 18 HB3 LYS 18 10.833 3.331 6.464 518 HG2 LYS 18 HG2 LYS 18 8.878 5.603 6.290 519 HG3 LYS 18 HG3 LYS 18 8.556 3.981 6.888 520 HD2 LYS 18 HD2 LYS 18 10.651 5.676 8.125 521 HD3 LYS 18 HD3 LYS 18 8.986 5.891 8.553 522 HE2 LYS 18 HE2 LYS 18 10.029 4.468 10.165 523 HE3 LYS 18 HE3 LYS 18 8.890 3.556 9.204 524 HZ1 LYS 18 HZ1 LYS 18 10.638 2.528 8.013 525 HZ2 LYS 18 HZ2 LYS 18 11.040 2.418 9.650 526 HZ3 LYS 18 HZ3 LYS 18 11.794 3.570 8.672 527 H ASN 19 H ASN 19 13.985 4.335 5.625 528 HA ASN 19 HA ASN 19 14.311 4.687 2.808 529 HB2 ASN 19 HB2 ASN 19 16.250 4.904 4.140 530 HB3 ASN 19 HB3 ASN 19 15.937 3.391 4.947 531 HD21 ASN 19 HD21 ASN 19 17.901 2.487 4.518 532 HD22 ASN 19 HD22 ASN 19 18.412 2.033 2.899 533 H ARG 20 H ARG 20 13.191 2.133 4.876 534 HA ARG 20 HA ARG 20 13.288 0.266 2.612 535 HB2 ARG 20 HB2 ARG 20 14.281 -0.319 4.940 536 HB3 ARG 20 HB3 ARG 20 12.609 -0.590 5.387 537 HG2 ARG 20 HG2 ARG 20 12.358 -2.281 3.763 538 HG3 ARG 20 HG3 ARG 20 13.886 -1.867 3.023 539 HD2 ARG 20 HD2 ARG 20 15.129 -2.654 4.832 540 HD3 ARG 20 HD3 ARG 20 13.683 -2.794 5.802 541 HE ARG 20 HE ARG 20 13.178 -4.462 3.734 542 HH11 ARG 20 HH11 ARG 20 15.857 -4.180 5.980 543 HH12 ARG 20 HH12 ARG 20 16.306 -5.852 5.836 544 HH21 ARG 20 HH21 ARG 20 13.758 -6.631 3.555 545 HH22 ARG 20 HH22 ARG 20 15.096 -7.254 4.478 546 H GLY 21 H GLY 21 11.560 -0.812 1.911 547 HA2 GLY 21 HA2 GLY 21 9.063 -1.237 2.379 548 HA3 GLY 21 HA3 GLY 21 8.974 0.520 2.380 549 H ILE 22 H ILE 22 7.538 0.219 0.359 550 HA ILE 22 HA ILE 22 9.284 -0.374 -1.920 551 HB ILE 22 HB ILE 22 7.645 -1.543 -3.024 552 HG12 ILE 22 HG12 ILE 22 5.673 -0.152 -1.247 553 HG13 ILE 22 HG13 ILE 22 5.975 0.175 -2.912 554 HG21 ILE 22 HG21 ILE 22 7.307 -2.047 -0.089 555 HG22 ILE 22 HG22 ILE 22 8.185 -3.004 -1.283 556 HG23 ILE 22 HG23 ILE 22 6.417 -2.984 -1.286 557 HD11 ILE 22 HD11 ILE 22 4.877 -2.403 -1.868 558 HD12 ILE 22 HD12 ILE 22 5.093 -1.950 -3.560 559 HD13 ILE 22 HD13 ILE 22 3.920 -1.096 -2.560 560 H HIS 23 H HIS 23 7.910 0.389 -3.923 561 HA HIS 23 HA HIS 23 6.752 2.974 -3.639 562 HB2 HIS 23 HB2 HIS 23 8.510 4.165 -4.970 563 HB3 HIS 23 HB3 HIS 23 9.033 3.709 -3.367 564 HD1 HIS 23 HD1 HIS 23 9.799 3.247 -6.964 565 HD2 HIS 23 HD2 HIS 23 10.940 1.666 -3.314 566 HE1 HIS 23 HE1 HIS 23 11.931 2.001 -7.417 567 HE2 HIS 23 HE2 HIS 23 12.694 1.191 -5.158 568 H LEU 24 H LEU 24 5.177 2.905 -5.078 569 HA LEU 24 HA LEU 24 5.292 0.940 -7.174 570 HB2 LEU 24 HB2 LEU 24 3.147 2.845 -6.272 571 HB3 LEU 24 HB3 LEU 24 2.952 1.664 -7.512 572 HG LEU 24 HG LEU 24 3.534 1.024 -4.636 573 HD11 LEU 24 HD11 LEU 24 1.005 0.737 -6.254 574 HD12 LEU 24 HD12 LEU 24 1.279 1.876 -4.939 575 HD13 LEU 24 HD13 LEU 24 1.244 0.147 -4.611 576 HD21 LEU 24 HD21 LEU 24 2.960 -0.756 -6.999 577 HD22 LEU 24 HD22 LEU 24 3.054 -1.291 -5.322 578 HD23 LEU 24 HD23 LEU 24 4.485 -0.637 -6.119 579 H TYR 25 H TYR 25 4.149 4.264 -7.108 580 HA TYR 25 HA TYR 25 5.104 4.604 -9.822 581 HB2 TYR 25 HB2 TYR 25 3.293 6.349 -8.201 582 HB3 TYR 25 HB3 TYR 25 3.715 6.635 -9.876 583 HD1 TYR 25 HD1 TYR 25 3.205 3.177 -8.989 584 HD2 TYR 25 HD2 TYR 25 1.198 6.711 -10.227 585 HE1 TYR 25 HE1 TYR 25 1.277 1.832 -9.653 586 HE2 TYR 25 HE2 TYR 25 -0.736 5.370 -10.920 587 HH TYR 25 HH TYR 25 -1.257 3.077 -11.565 588 H THR 26 H THR 26 4.708 7.446 -8.002 589 HA THR 26 HA THR 26 7.609 7.663 -7.630 590 HB THR 26 HB THR 26 6.682 9.417 -9.033 591 HG1 THR 26 HG1 THR 26 8.314 10.263 -7.862 592 HG21 THR 26 HG21 THR 26 4.933 10.141 -6.686 593 HG22 THR 26 HG22 THR 26 4.388 9.351 -8.164 594 HG23 THR 26 HG23 THR 26 5.028 10.992 -8.229 595 H LYS 27 H LYS 27 5.024 6.672 -5.899 596 HA LYS 27 HA LYS 27 5.870 8.125 -3.482 597 HB2 LYS 27 HB2 LYS 27 3.687 7.059 -2.551 598 HB3 LYS 27 HB3 LYS 27 3.616 8.503 -3.550 599 HG2 LYS 27 HG2 LYS 27 3.379 5.810 -4.802 600 HG3 LYS 27 HG3 LYS 27 1.988 6.544 -3.995 601 HD2 LYS 27 HD2 LYS 27 3.591 7.700 -6.265 602 HD3 LYS 27 HD3 LYS 27 1.947 7.102 -6.339 603 HE2 LYS 27 HE2 LYS 27 1.637 8.890 -4.387 604 HE3 LYS 27 HE3 LYS 27 3.005 9.626 -5.206 605 HZ1 LYS 27 HZ1 LYS 27 0.267 9.247 -6.149 606 HZ2 LYS 27 HZ2 LYS 27 1.503 9.224 -7.283 607 HZ3 LYS 27 HZ3 LYS 27 1.280 10.582 -6.310 608 H PHE 28 H PHE 28 5.259 6.759 -1.486 609 HA PHE 28 HA PHE 28 6.572 4.157 -1.688 610 HB2 PHE 28 HB2 PHE 28 8.406 5.623 -1.328 611 HB3 PHE 28 HB3 PHE 28 7.501 6.590 -0.172 612 HD1 PHE 28 HD1 PHE 28 9.419 3.535 -0.694 613 HD2 PHE 28 HD2 PHE 28 7.255 5.873 2.128 614 HE1 PHE 28 HE1 PHE 28 10.378 2.211 1.140 615 HE2 PHE 28 HE2 PHE 28 8.207 4.554 3.958 616 HZ PHE 28 HZ PHE 28 9.763 2.701 3.475 617 H ILE 29 H ILE 29 5.274 2.791 -0.649 618 HA ILE 29 HA ILE 29 4.060 3.641 1.885 619 HB ILE 29 HB ILE 29 3.825 0.935 0.541 620 HG12 ILE 29 HG12 ILE 29 1.345 1.828 0.301 621 HG13 ILE 29 HG13 ILE 29 2.131 3.398 0.313 622 HG21 ILE 29 HG21 ILE 29 3.582 0.952 2.980 623 HG22 ILE 29 HG22 ILE 29 2.053 0.558 2.173 624 HG23 ILE 29 HG23 ILE 29 2.308 2.172 2.833 625 HD11 ILE 29 HD11 ILE 29 1.662 2.424 -1.951 626 HD12 ILE 29 HD12 ILE 29 2.887 1.206 -1.595 627 HD13 ILE 29 HD13 ILE 29 3.334 2.910 -1.665 628 H CYS 30 H CYS 30 5.158 3.153 3.763 629 HA CYS 30 HA CYS 30 7.703 1.891 3.503 630 HB2 CYS 30 HB2 CYS 30 8.102 2.363 5.722 631 HB3 CYS 30 HB3 CYS 30 6.924 3.603 5.326 632 H LEU 31 H LEU 31 8.352 0.062 4.538 633 HA LEU 31 HA LEU 31 7.122 -2.133 3.535 634 HB2 LEU 31 HB2 LEU 31 8.895 -3.291 4.389 635 HB3 LEU 31 HB3 LEU 31 9.527 -1.680 4.307 636 HG LEU 31 HG LEU 31 8.716 -1.603 6.826 637 HD11 LEU 31 HD11 LEU 31 7.743 -3.855 6.798 638 HD12 LEU 31 HD12 LEU 31 9.067 -3.729 7.956 639 HD13 LEU 31 HD13 LEU 31 9.325 -4.529 6.406 640 HD21 LEU 31 HD21 LEU 31 10.965 -1.178 6.130 641 HD22 LEU 31 HD22 LEU 31 11.247 -2.892 5.831 642 HD23 LEU 31 HD23 LEU 31 10.994 -2.314 7.478 643 H ASP 32 H ASP 32 6.408 -0.567 6.461 644 HA ASP 32 HA ASP 32 5.441 -2.912 7.845 645 HB2 ASP 32 HB2 ASP 32 6.500 -0.850 8.927 646 HB3 ASP 32 HB3 ASP 32 4.968 -0.076 8.611 647 H CYS 33 H CYS 33 4.227 0.004 6.469 648 HA CYS 33 HA CYS 33 1.481 -0.554 6.743 649 HB2 CYS 33 HB2 CYS 33 2.850 1.490 5.019 650 HB3 CYS 33 HB3 CYS 33 1.141 1.400 5.347 651 H GLU 34 H GLU 34 3.889 -0.908 4.327 652 HA GLU 34 HA GLU 34 2.335 -1.627 2.174 653 HB2 GLU 34 HB2 GLU 34 4.689 -1.090 2.004 654 HB3 GLU 34 HB3 GLU 34 5.121 -2.522 2.918 655 HG2 GLU 34 HG2 GLU 34 3.699 -2.616 0.272 656 HG3 GLU 34 HG3 GLU 34 5.431 -2.629 0.439 657 H ARG 35 H ARG 35 3.497 -3.568 4.884 658 HA ARG 35 HA ARG 35 2.215 -5.937 3.905 659 HB2 ARG 35 HB2 ARG 35 3.053 -5.350 6.746 660 HB3 ARG 35 HB3 ARG 35 2.734 -6.933 6.049 661 HG2 ARG 35 HG2 ARG 35 4.650 -6.768 4.637 662 HG3 ARG 35 HG3 ARG 35 4.924 -5.099 5.136 663 HD2 ARG 35 HD2 ARG 35 5.165 -7.579 6.818 664 HD3 ARG 35 HD3 ARG 35 6.442 -6.486 6.306 665 HE ARG 35 HE ARG 35 4.944 -4.819 7.703 666 HH11 ARG 35 HH11 ARG 35 5.935 -8.086 8.444 667 HH12 ARG 35 HH12 ARG 35 6.004 -7.820 10.157 668 HH21 ARG 35 HH21 ARG 35 5.038 -4.450 9.981 669 HH22 ARG 35 HH22 ARG 35 5.483 -5.768 11.029 670 H LYS 36 H LYS 36 1.262 -3.272 5.789 671 HA LYS 36 HA LYS 36 -0.791 -4.376 7.315 672 HB2 LYS 36 HB2 LYS 36 -0.414 -1.590 6.264 673 HB3 LYS 36 HB3 LYS 36 -1.595 -2.050 7.436 674 HG2 LYS 36 HG2 LYS 36 0.341 -2.791 8.865 675 HG3 LYS 36 HG3 LYS 36 1.371 -2.014 7.734 676 HD2 LYS 36 HD2 LYS 36 0.057 -0.002 8.160 677 HD3 LYS 36 HD3 LYS 36 -0.770 -0.828 9.452 678 HE2 LYS 36 HE2 LYS 36 2.186 -0.272 9.241 679 HE3 LYS 36 HE3 LYS 36 1.047 0.508 10.333 680 HZ1 LYS 36 HZ1 LYS 36 0.771 -1.472 11.551 681 HZ2 LYS 36 HZ2 LYS 36 2.443 -1.310 11.314 682 HZ3 LYS 36 HZ3 LYS 36 1.555 -2.408 10.381 683 H VAL 37 H VAL 37 -0.582 -2.909 4.221 684 HA VAL 37 HA VAL 37 -3.220 -2.672 3.564 685 HB VAL 37 HB VAL 37 -2.551 -2.693 1.224 686 HG11 VAL 37 HG11 VAL 37 -0.499 -1.205 2.846 687 HG12 VAL 37 HG12 VAL 37 -2.173 -0.676 2.667 688 HG13 VAL 37 HG13 VAL 37 -1.123 -0.771 1.253 689 HG21 VAL 37 HG21 VAL 37 -1.005 -4.326 0.917 690 HG22 VAL 37 HG22 VAL 37 -0.036 -3.830 2.311 691 HG23 VAL 37 HG23 VAL 37 -0.018 -2.864 0.828 692 H ILE 38 H ILE 38 -1.079 -5.343 2.940 693 HA ILE 38 HA ILE 38 -2.730 -7.004 1.437 694 HB ILE 38 HB ILE 38 -0.716 -8.099 3.377 695 HG12 ILE 38 HG12 ILE 38 -0.153 -6.422 0.954 696 HG13 ILE 38 HG13 ILE 38 0.503 -6.263 2.570 697 HG21 ILE 38 HG21 ILE 38 -1.579 -8.840 0.600 698 HG22 ILE 38 HG22 ILE 38 -1.832 -9.743 2.091 699 HG23 ILE 38 HG23 ILE 38 -0.208 -9.581 1.422 700 HD11 ILE 38 HD11 ILE 38 1.099 -8.714 0.985 701 HD12 ILE 38 HD12 ILE 38 2.031 -7.945 2.271 702 HD13 ILE 38 HD13 ILE 38 1.978 -7.219 0.665 703 H SER 39 H SER 39 -2.340 -6.394 4.781 704 HA SER 39 HA SER 39 -3.771 -8.699 5.584 705 HB2 SER 39 HB2 SER 39 -1.994 -7.728 7.003 706 HB3 SER 39 HB3 SER 39 -2.989 -6.292 7.236 707 HG SER 39 HG SER 39 -3.848 -8.905 7.937 708 H THR 40 H THR 40 -4.500 -5.459 4.804 709 HA THR 40 HA THR 40 -7.042 -5.340 6.169 710 HB THR 40 HB THR 40 -5.795 -3.431 4.189 711 HG1 THR 40 HG1 THR 40 -4.512 -3.696 6.067 712 HG21 THR 40 HG21 THR 40 -7.994 -2.970 6.206 713 HG22 THR 40 HG22 THR 40 -8.223 -3.121 4.465 714 HG23 THR 40 HG23 THR 40 -7.302 -1.766 5.115 715 H SER 41 H SER 41 -5.887 -5.891 2.886 716 HA SER 41 HA SER 41 -8.407 -5.295 1.651 717 HB2 SER 41 HB2 SER 41 -7.190 -6.159 -0.398 718 HB3 SER 41 HB3 SER 41 -6.463 -4.772 0.415 719 HG SER 41 HG SER 41 -4.753 -6.026 0.312 720 H THR 42 H THR 42 -7.100 -8.108 3.061 721 HA THR 42 HA THR 42 -8.224 -9.967 1.198 722 HB THR 42 HB THR 42 -7.528 -11.672 2.942 723 HG1 THR 42 HG1 THR 42 -7.423 -9.570 4.493 724 HG21 THR 42 HG21 THR 42 -5.443 -9.716 1.960 725 HG22 THR 42 HG22 THR 42 -6.148 -11.025 1.008 726 HG23 THR 42 HG23 THR 42 -5.160 -11.396 2.421 727 H SER 43 H SER 43 -10.191 -8.275 2.079 728 HA SER 43 HA SER 43 -12.170 -10.199 2.888 729 HB2 SER 43 HB2 SER 43 -11.702 -7.718 4.572 730 HB3 SER 43 HB3 SER 43 -13.074 -8.812 4.734 731 HG SER 43 HG SER 43 -10.862 -10.273 4.805 732 H ASP 44 H ASP 44 -11.639 -8.843 0.499 733 HA ASP 44 HA ASP 44 -14.037 -7.192 0.259 734 HB2 ASP 44 HB2 ASP 44 -12.320 -5.538 0.492 735 HB3 ASP 44 HB3 ASP 44 -11.304 -6.338 -0.696 736 HA PRO 45 HA PRO 45 -12.698 -8.596 -4.210 737 HB2 PRO 45 HB2 PRO 45 -11.035 -10.970 -3.644 738 HB3 PRO 45 HB3 PRO 45 -10.799 -9.684 -4.832 739 HG2 PRO 45 HG2 PRO 45 -9.285 -9.848 -2.633 740 HG3 PRO 45 HG3 PRO 45 -9.778 -8.292 -3.301 741 HD2 PRO 45 HD2 PRO 45 -10.844 -9.743 -0.959 742 HD3 PRO 45 HD3 PRO 45 -10.565 -8.017 -1.168 743 H ASP 46 H ASP 46 -13.367 -10.424 -5.535 744 HA ASP 46 HA ASP 46 -14.802 -12.056 -6.125 745 HB2 ASP 46 HB2 ASP 46 -14.282 -13.046 -3.322 746 HB3 ASP 46 HB3 ASP 46 -15.299 -13.904 -4.471 747 H TYR 47 H TYR 47 -15.639 -9.540 -4.908 748 HA TYR 47 HA TYR 47 -18.441 -10.280 -4.552 749 HB2 TYR 47 HB2 TYR 47 -16.815 -8.531 -2.761 750 HB3 TYR 47 HB3 TYR 47 -18.532 -8.232 -2.950 751 HD1 TYR 47 HD1 TYR 47 -20.158 -10.009 -2.279 752 HD2 TYR 47 HD2 TYR 47 -16.010 -10.288 -1.383 753 HE1 TYR 47 HE1 TYR 47 -20.647 -11.703 -0.567 754 HE2 TYR 47 HE2 TYR 47 -16.489 -11.983 0.330 755 HH TYR 47 HH TYR 47 -19.500 -13.531 0.600 756 H ALA 48 H ALA 48 -19.841 -8.996 -5.627 757 HA ALA 48 HA ALA 48 -18.754 -7.255 -7.615 758 HB1 ALA 48 HB1 ALA 48 -21.055 -7.020 -8.371 759 HB2 ALA 48 HB2 ALA 48 -21.626 -7.828 -6.913 760 HB3 ALA 48 HB3 ALA 48 -20.654 -8.714 -8.088 Start of MODEL 5 1 H1 SER 0 H1 SER 0 -0.228 13.740 -5.006 2 H2 SER 0 H2 SER 0 1.326 14.321 -5.360 3 H3 SER 0 H3 SER 0 -0.032 15.248 -5.751 4 HA SER 0 HA SER 0 0.840 14.545 -3.016 5 HB2 SER 0 HB2 SER 0 0.870 17.238 -4.400 6 HB3 SER 0 HB3 SER 0 1.533 16.847 -2.814 7 HG SER 0 HG SER 0 3.000 16.936 -4.757 8 H MET 1 H MET 1 -0.208 16.745 -1.772 9 HA MET 1 HA MET 1 -2.073 17.700 -0.922 10 HB2 MET 1 HB2 MET 1 -3.237 16.971 -3.603 11 HB3 MET 1 HB3 MET 1 -4.137 17.838 -2.367 12 HG2 MET 1 HG2 MET 1 -1.579 18.767 -3.654 13 HG3 MET 1 HG3 MET 1 -3.200 19.340 -4.046 14 HE1 MET 1 HE1 MET 1 -0.836 21.320 -3.313 15 HE2 MET 1 HE2 MET 1 -1.670 22.434 -2.229 16 HE3 MET 1 HE3 MET 1 -2.479 21.844 -3.680 17 H ASP 2 H ASP 2 -4.236 17.219 -0.098 18 HA ASP 2 HA ASP 2 -4.764 14.329 0.118 19 HB2 ASP 2 HB2 ASP 2 -3.632 15.199 2.158 20 HB3 ASP 2 HB3 ASP 2 -4.931 16.369 2.355 21 H GLU 3 H GLU 3 -6.043 17.570 0.734 22 HA GLU 3 HA GLU 3 -7.961 18.601 0.162 23 HB2 GLU 3 HB2 GLU 3 -8.223 16.284 -1.750 24 HB3 GLU 3 HB3 GLU 3 -9.262 17.701 -1.760 25 HG2 GLU 3 HG2 GLU 3 -7.226 19.099 -2.107 26 HG3 GLU 3 HG3 GLU 3 -6.306 17.606 -2.293 27 H THR 4 H THR 4 -10.488 17.800 -0.448 28 HA THR 4 HA THR 4 -11.447 17.171 2.140 29 HB THR 4 HB THR 4 -13.699 17.129 0.920 30 HG1 THR 4 HG1 THR 4 -13.542 18.097 -1.220 31 HG21 THR 4 HG21 THR 4 -13.693 19.567 0.605 32 HG22 THR 4 HG22 THR 4 -11.931 19.565 0.677 33 HG23 THR 4 HG23 THR 4 -12.871 19.101 2.094 34 H VAL 5 H VAL 5 -12.021 15.484 -0.945 35 HA VAL 5 HA VAL 5 -12.336 13.303 -1.478 36 HB VAL 5 HB VAL 5 -10.971 12.753 1.162 37 HG11 VAL 5 HG11 VAL 5 -12.196 10.805 0.530 38 HG12 VAL 5 HG12 VAL 5 -10.502 10.525 0.125 39 HG13 VAL 5 HG13 VAL 5 -11.655 10.946 -1.142 40 HG21 VAL 5 HG21 VAL 5 -9.564 14.003 -0.382 41 HG22 VAL 5 HG22 VAL 5 -9.893 12.829 -1.655 42 HG23 VAL 5 HG23 VAL 5 -8.985 12.345 -0.223 43 H LYS 6 H LYS 6 -14.475 12.971 -1.541 44 HA LYS 6 HA LYS 6 -15.884 12.568 0.996 45 HB2 LYS 6 HB2 LYS 6 -16.994 13.303 -1.690 46 HB3 LYS 6 HB3 LYS 6 -17.949 13.067 -0.240 47 HG2 LYS 6 HG2 LYS 6 -15.843 15.181 -0.647 48 HG3 LYS 6 HG3 LYS 6 -17.591 15.429 -0.694 49 HD2 LYS 6 HD2 LYS 6 -17.737 14.711 1.647 50 HD3 LYS 6 HD3 LYS 6 -15.992 14.491 1.689 51 HE2 LYS 6 HE2 LYS 6 -16.569 16.601 2.693 52 HE3 LYS 6 HE3 LYS 6 -15.719 16.874 1.180 53 HZ1 LYS 6 HZ1 LYS 6 -18.662 17.005 1.519 54 HZ2 LYS 6 HZ2 LYS 6 -17.806 17.343 0.098 55 HZ3 LYS 6 HZ3 LYS 6 -17.633 18.343 1.450 56 H LEU 7 H LEU 7 -16.945 11.499 -2.194 57 HA LEU 7 HA LEU 7 -17.688 8.972 -1.060 58 HB2 LEU 7 HB2 LEU 7 -18.724 8.472 -3.160 59 HB3 LEU 7 HB3 LEU 7 -19.107 10.115 -2.726 60 HG LEU 7 HG LEU 7 -16.935 9.432 -4.699 61 HD11 LEU 7 HD11 LEU 7 -19.025 8.474 -5.501 62 HD12 LEU 7 HD12 LEU 7 -18.564 9.878 -6.462 63 HD13 LEU 7 HD13 LEU 7 -19.840 10.018 -5.253 64 HD21 LEU 7 HD21 LEU 7 -17.442 11.743 -5.471 65 HD22 LEU 7 HD22 LEU 7 -16.779 11.652 -3.841 66 HD23 LEU 7 HD23 LEU 7 -18.505 11.916 -4.074 67 H ASN 8 H ASN 8 -15.544 9.854 -3.775 68 HA ASN 8 HA ASN 8 -14.289 7.227 -3.602 69 HB2 ASN 8 HB2 ASN 8 -13.616 9.476 -5.505 70 HB3 ASN 8 HB3 ASN 8 -13.134 7.801 -5.643 71 HD21 ASN 8 HD21 ASN 8 -14.537 9.446 -7.546 72 HD22 ASN 8 HD22 ASN 8 -16.032 8.646 -7.858 73 H HIS 9 H HIS 9 -12.288 6.906 -2.749 74 HA HIS 9 HA HIS 9 -11.047 9.213 -1.450 75 HB2 HIS 9 HB2 HIS 9 -10.375 6.284 -1.174 76 HB3 HIS 9 HB3 HIS 9 -9.710 7.590 -0.213 77 HD1 HIS 9 HD1 HIS 9 -10.779 7.872 1.988 78 HD2 HIS 9 HD2 HIS 9 -13.363 6.143 -0.768 79 HE1 HIS 9 HE1 HIS 9 -12.873 7.334 3.270 80 HE2 HIS 9 HE2 HIS 9 -14.464 6.394 1.557 81 H THR 10 H THR 10 -9.062 9.962 -2.035 82 HA THR 10 HA THR 10 -8.190 9.235 -4.664 83 HB THR 10 HB THR 10 -6.823 11.078 -2.683 84 HG1 THR 10 HG1 THR 10 -8.014 12.718 -3.771 85 HG21 THR 10 HG21 THR 10 -5.384 10.432 -4.565 86 HG22 THR 10 HG22 THR 10 -5.859 12.124 -4.697 87 HG23 THR 10 HG23 THR 10 -6.643 10.909 -5.703 88 H CYS 11 H CYS 11 -6.729 7.822 -5.223 89 HA CYS 11 HA CYS 11 -5.406 6.178 -3.319 90 HB2 CYS 11 HB2 CYS 11 -5.970 5.362 -5.566 91 HB3 CYS 11 HB3 CYS 11 -4.900 6.551 -6.283 92 H VAL 12 H VAL 12 -3.700 6.701 -2.161 93 HA VAL 12 HA VAL 12 -2.108 8.968 -2.471 94 HB VAL 12 HB VAL 12 -0.432 7.739 -1.034 95 HG11 VAL 12 HG11 VAL 12 -2.202 9.096 -0.046 96 HG12 VAL 12 HG12 VAL 12 -1.858 7.675 0.945 97 HG13 VAL 12 HG13 VAL 12 -3.291 7.710 -0.084 98 HG21 VAL 12 HG21 VAL 12 -1.089 5.585 -0.097 99 HG22 VAL 12 HG22 VAL 12 -0.896 5.479 -1.846 100 HG23 VAL 12 HG23 VAL 12 -2.510 5.554 -1.140 101 H ILE 13 H ILE 13 -2.165 6.144 -4.294 102 HA ILE 13 HA ILE 13 0.613 6.285 -5.167 103 HB ILE 13 HB ILE 13 -1.375 4.311 -6.155 104 HG12 ILE 13 HG12 ILE 13 -1.516 4.344 -3.688 105 HG13 ILE 13 HG13 ILE 13 -0.867 2.847 -4.331 106 HG21 ILE 13 HG21 ILE 13 1.581 4.159 -5.652 107 HG22 ILE 13 HG22 ILE 13 0.818 4.434 -7.220 108 HG23 ILE 13 HG23 ILE 13 0.577 2.900 -6.378 109 HD11 ILE 13 HD11 ILE 13 0.753 5.084 -3.192 110 HD12 ILE 13 HD12 ILE 13 1.360 3.541 -3.794 111 HD13 ILE 13 HD13 ILE 13 0.327 3.585 -2.364 112 H CYS 14 H CYS 14 -2.612 6.092 -6.583 113 HA CYS 14 HA CYS 14 -1.635 6.798 -9.199 114 HB2 CYS 14 HB2 CYS 14 -4.413 6.356 -8.186 115 HB3 CYS 14 HB3 CYS 14 -4.023 6.617 -9.860 116 H ASP 15 H ASP 15 -2.799 8.472 -6.477 117 HA ASP 15 HA ASP 15 -3.640 10.522 -6.047 118 HB2 ASP 15 HB2 ASP 15 -2.099 11.094 -8.514 119 HB3 ASP 15 HB3 ASP 15 -2.944 12.365 -7.666 120 H GLN 16 H GLN 16 -5.360 8.747 -7.215 121 HA GLN 16 HA GLN 16 -7.132 10.461 -8.800 122 HB2 GLN 16 HB2 GLN 16 -6.702 7.487 -9.148 123 HB3 GLN 16 HB3 GLN 16 -7.862 8.459 -10.028 124 HG2 GLN 16 HG2 GLN 16 -4.895 8.758 -10.146 125 HG3 GLN 16 HG3 GLN 16 -5.889 7.971 -11.353 126 HE21 GLN 16 HE21 GLN 16 -4.112 10.203 -11.658 127 HE22 GLN 16 HE22 GLN 16 -5.073 11.505 -12.255 128 H GLU 17 H GLU 17 -9.305 10.282 -8.275 129 HA GLU 17 HA GLU 17 -9.839 9.400 -5.611 130 HB2 GLU 17 HB2 GLU 17 -11.580 10.776 -7.648 131 HB3 GLU 17 HB3 GLU 17 -12.077 10.403 -6.008 132 HG2 GLU 17 HG2 GLU 17 -10.409 11.809 -5.085 133 HG3 GLU 17 HG3 GLU 17 -9.689 12.055 -6.667 134 H LYS 18 H LYS 18 -10.136 7.444 -5.280 135 HA LYS 18 HA LYS 18 -11.849 5.794 -7.022 136 HB2 LYS 18 HB2 LYS 18 -9.782 4.471 -5.419 137 HB3 LYS 18 HB3 LYS 18 -10.408 4.046 -6.981 138 HG2 LYS 18 HG2 LYS 18 -8.441 6.236 -6.434 139 HG3 LYS 18 HG3 LYS 18 -8.062 4.646 -7.091 140 HD2 LYS 18 HD2 LYS 18 -10.082 6.316 -8.470 141 HD3 LYS 18 HD3 LYS 18 -8.398 6.729 -8.640 142 HE2 LYS 18 HE2 LYS 18 -9.136 5.327 -10.464 143 HE3 LYS 18 HE3 LYS 18 -7.953 4.516 -9.465 144 HZ1 LYS 18 HZ1 LYS 18 -10.873 4.084 -9.265 145 HZ2 LYS 18 HZ2 LYS 18 -9.671 3.218 -8.447 146 HZ3 LYS 18 HZ3 LYS 18 -9.818 3.082 -10.125 147 H ASN 19 H ASN 19 -13.536 4.839 -5.999 148 HA ASN 19 HA ASN 19 -13.765 5.234 -3.156 149 HB2 ASN 19 HB2 ASN 19 -15.746 5.686 -4.309 150 HB3 ASN 19 HB3 ASN 19 -15.629 4.206 -5.237 151 HD21 ASN 19 HD21 ASN 19 -16.437 2.333 -4.433 152 HD22 ASN 19 HD22 ASN 19 -17.332 2.245 -2.922 153 H ARG 20 H ARG 20 -12.853 2.654 -5.264 154 HA ARG 20 HA ARG 20 -13.152 0.766 -3.040 155 HB2 ARG 20 HB2 ARG 20 -13.018 0.266 -5.999 156 HB3 ARG 20 HB3 ARG 20 -12.743 -1.001 -4.832 157 HG2 ARG 20 HG2 ARG 20 -14.963 -0.530 -3.883 158 HG3 ARG 20 HG3 ARG 20 -15.213 0.632 -5.179 159 HD2 ARG 20 HD2 ARG 20 -14.964 -1.014 -6.833 160 HD3 ARG 20 HD3 ARG 20 -14.457 -2.160 -5.628 161 HE ARG 20 HE ARG 20 -17.185 -1.066 -5.778 162 HH11 ARG 20 HH11 ARG 20 -15.030 -3.782 -5.202 163 HH12 ARG 20 HH12 ARG 20 -16.330 -4.873 -4.833 164 HH21 ARG 20 HH21 ARG 20 -18.868 -2.527 -5.293 165 HH22 ARG 20 HH22 ARG 20 -18.484 -4.170 -4.867 166 H GLY 21 H GLY 21 -11.551 -0.121 -2.081 167 HA2 GLY 21 HA2 GLY 21 -9.063 -0.882 -2.741 168 HA3 GLY 21 HA3 GLY 21 -8.863 0.854 -2.546 169 H ILE 22 H ILE 22 -7.478 0.321 -0.574 170 HA ILE 22 HA ILE 22 -9.246 -0.362 1.670 171 HB ILE 22 HB ILE 22 -7.585 -1.514 2.768 172 HG12 ILE 22 HG12 ILE 22 -5.585 -0.104 1.042 173 HG13 ILE 22 HG13 ILE 22 -5.987 0.326 2.668 174 HG21 ILE 22 HG21 ILE 22 -6.423 -2.996 1.150 175 HG22 ILE 22 HG22 ILE 22 -6.971 -1.937 -0.150 176 HG23 ILE 22 HG23 ILE 22 -8.149 -2.813 0.827 177 HD11 ILE 22 HD11 ILE 22 -3.980 -0.836 2.836 178 HD12 ILE 22 HD12 ILE 22 -4.521 -2.081 1.697 179 HD13 ILE 22 HD13 ILE 22 -5.224 -1.996 3.313 180 H HIS 23 H HIS 23 -7.872 0.360 3.719 181 HA HIS 23 HA HIS 23 -6.849 3.015 3.516 182 HB2 HIS 23 HB2 HIS 23 -8.627 4.064 4.921 183 HB3 HIS 23 HB3 HIS 23 -9.190 3.598 3.335 184 HD1 HIS 23 HD1 HIS 23 -9.752 3.017 6.951 185 HD2 HIS 23 HD2 HIS 23 -10.977 1.454 3.321 186 HE1 HIS 23 HE1 HIS 23 -11.775 1.620 7.478 187 HE2 HIS 23 HE2 HIS 23 -12.401 0.546 5.287 188 H LEU 24 H LEU 24 -5.190 2.840 4.811 189 HA LEU 24 HA LEU 24 -5.227 1.011 7.038 190 HB2 LEU 24 HB2 LEU 24 -3.203 2.294 5.442 191 HB3 LEU 24 HB3 LEU 24 -2.871 2.547 7.124 192 HG LEU 24 HG LEU 24 -1.673 0.627 6.412 193 HD11 LEU 24 HD11 LEU 24 -4.100 -0.257 7.950 194 HD12 LEU 24 HD12 LEU 24 -2.618 0.402 8.634 195 HD13 LEU 24 HD13 LEU 24 -2.590 -1.149 7.800 196 HD21 LEU 24 HD21 LEU 24 -2.681 -1.281 5.463 197 HD22 LEU 24 HD22 LEU 24 -2.954 0.142 4.457 198 HD23 LEU 24 HD23 LEU 24 -4.254 -0.487 5.470 199 H TYR 25 H TYR 25 -3.977 4.303 6.900 200 HA TYR 25 HA TYR 25 -4.861 4.660 9.643 201 HB2 TYR 25 HB2 TYR 25 -3.006 6.446 8.120 202 HB3 TYR 25 HB3 TYR 25 -3.267 6.435 9.848 203 HD1 TYR 25 HD1 TYR 25 -3.139 3.087 8.749 204 HD2 TYR 25 HD2 TYR 25 -0.608 6.426 9.539 205 HE1 TYR 25 HE1 TYR 25 -1.237 1.579 8.919 206 HE2 TYR 25 HE2 TYR 25 1.334 4.917 9.742 207 HH TYR 25 HH TYR 25 1.732 2.542 10.299 208 H THR 26 H THR 26 -4.295 7.410 7.609 209 HA THR 26 HA THR 26 -7.181 7.965 7.636 210 HB THR 26 HB THR 26 -6.672 10.296 7.543 211 HG1 THR 26 HG1 THR 26 -4.941 10.885 6.481 212 HG21 THR 26 HG21 THR 26 -6.341 9.225 9.746 213 HG22 THR 26 HG22 THR 26 -5.302 10.632 9.523 214 HG23 THR 26 HG23 THR 26 -4.635 9.005 9.356 215 H LYS 27 H LYS 27 -5.162 6.501 5.662 216 HA LYS 27 HA LYS 27 -5.587 8.229 3.319 217 HB2 LYS 27 HB2 LYS 27 -3.654 6.045 3.026 218 HB3 LYS 27 HB3 LYS 27 -3.554 7.709 2.498 219 HG2 LYS 27 HG2 LYS 27 -2.945 6.620 5.212 220 HG3 LYS 27 HG3 LYS 27 -1.815 7.249 4.024 221 HD2 LYS 27 HD2 LYS 27 -3.945 8.866 5.395 222 HD3 LYS 27 HD3 LYS 27 -2.240 8.833 5.851 223 HE2 LYS 27 HE2 LYS 27 -2.496 9.323 3.038 224 HE3 LYS 27 HE3 LYS 27 -3.463 10.491 3.941 225 HZ1 LYS 27 HZ1 LYS 27 -1.446 10.949 5.290 226 HZ2 LYS 27 HZ2 LYS 27 -1.254 11.341 3.658 227 HZ3 LYS 27 HZ3 LYS 27 -0.557 9.929 4.272 228 H PHE 28 H PHE 28 -5.087 6.743 1.322 229 HA PHE 28 HA PHE 28 -6.705 4.332 1.363 230 HB2 PHE 28 HB2 PHE 28 -8.395 5.938 0.889 231 HB3 PHE 28 HB3 PHE 28 -7.354 6.808 -0.231 232 HD1 PHE 28 HD1 PHE 28 -9.396 3.782 0.231 233 HD2 PHE 28 HD2 PHE 28 -7.109 6.116 -2.485 234 HE1 PHE 28 HE1 PHE 28 -10.305 2.486 -1.649 235 HE2 PHE 28 HE2 PHE 28 -8.008 4.828 -4.371 236 HZ PHE 28 HZ PHE 28 -9.606 3.000 -3.966 237 H ILE 29 H ILE 29 -5.447 2.885 0.409 238 HA ILE 29 HA ILE 29 -4.002 3.618 -2.039 239 HB ILE 29 HB ILE 29 -4.078 0.928 -0.637 240 HG12 ILE 29 HG12 ILE 29 -1.564 1.597 -0.263 241 HG13 ILE 29 HG13 ILE 29 -2.180 3.239 -0.419 242 HG21 ILE 29 HG21 ILE 29 -3.686 0.818 -3.058 243 HG22 ILE 29 HG22 ILE 29 -2.258 0.322 -2.138 244 HG23 ILE 29 HG23 ILE 29 -2.315 1.923 -2.876 245 HD11 ILE 29 HD11 ILE 29 -3.231 1.223 1.547 246 HD12 ILE 29 HD12 ILE 29 -3.629 2.939 1.455 247 HD13 ILE 29 HD13 ILE 29 -2.001 2.432 1.915 248 H CYS 30 H CYS 30 -4.981 3.209 -3.987 249 HA CYS 30 HA CYS 30 -7.612 2.154 -3.995 250 HB2 CYS 30 HB2 CYS 30 -7.689 2.536 -6.280 251 HB3 CYS 30 HB3 CYS 30 -6.495 3.700 -5.765 252 H LEU 31 H LEU 31 -8.342 0.289 -4.876 253 HA LEU 31 HA LEU 31 -7.331 -1.896 -3.640 254 HB2 LEU 31 HB2 LEU 31 -9.109 -3.043 -4.585 255 HB3 LEU 31 HB3 LEU 31 -9.654 -1.400 -4.546 256 HG LEU 31 HG LEU 31 -8.716 -1.393 -7.029 257 HD11 LEU 31 HD11 LEU 31 -9.525 -4.271 -6.616 258 HD12 LEU 31 HD12 LEU 31 -7.893 -3.698 -6.958 259 HD13 LEU 31 HD13 LEU 31 -9.166 -3.500 -8.162 260 HD21 LEU 31 HD21 LEU 31 -10.996 -1.925 -7.784 261 HD22 LEU 31 HD22 LEU 31 -10.975 -0.828 -6.403 262 HD23 LEU 31 HD23 LEU 31 -11.368 -2.531 -6.171 263 H ASP 32 H ASP 32 -6.434 -0.616 -6.646 264 HA ASP 32 HA ASP 32 -5.531 -3.117 -7.782 265 HB2 ASP 32 HB2 ASP 32 -6.416 -0.920 -8.978 266 HB3 ASP 32 HB3 ASP 32 -4.714 -0.518 -8.907 267 H CYS 33 H CYS 33 -4.260 -0.207 -6.348 268 HA CYS 33 HA CYS 33 -1.531 -0.946 -6.645 269 HB2 CYS 33 HB2 CYS 33 -2.794 1.180 -4.938 270 HB3 CYS 33 HB3 CYS 33 -1.090 0.857 -4.984 271 H GLU 34 H GLU 34 -3.994 -1.241 -4.283 272 HA GLU 34 HA GLU 34 -2.594 -2.120 -2.097 273 HB2 GLU 34 HB2 GLU 34 -4.919 -1.666 -1.937 274 HB3 GLU 34 HB3 GLU 34 -5.300 -2.811 -3.187 275 HG2 GLU 34 HG2 GLU 34 -4.048 -3.869 -0.762 276 HG3 GLU 34 HG3 GLU 34 -5.697 -3.309 -0.638 277 H ARG 35 H ARG 35 -3.821 -3.971 -4.814 278 HA ARG 35 HA ARG 35 -2.399 -6.278 -3.952 279 HB2 ARG 35 HB2 ARG 35 -3.037 -7.279 -6.179 280 HB3 ARG 35 HB3 ARG 35 -4.302 -6.938 -5.013 281 HG2 ARG 35 HG2 ARG 35 -4.314 -4.659 -6.409 282 HG3 ARG 35 HG3 ARG 35 -3.789 -5.791 -7.632 283 HD2 ARG 35 HD2 ARG 35 -6.227 -5.567 -7.586 284 HD3 ARG 35 HD3 ARG 35 -5.700 -7.187 -7.153 285 HE ARG 35 HE ARG 35 -6.049 -5.454 -4.890 286 HH11 ARG 35 HH11 ARG 35 -7.727 -7.651 -7.049 287 HH12 ARG 35 HH12 ARG 35 -8.960 -8.030 -5.888 288 HH21 ARG 35 HH21 ARG 35 -7.625 -5.946 -3.377 289 HH22 ARG 35 HH22 ARG 35 -8.911 -7.053 -3.795 290 H LYS 36 H LYS 36 -1.518 -3.645 -5.942 291 HA LYS 36 HA LYS 36 0.454 -4.867 -7.522 292 HB2 LYS 36 HB2 LYS 36 0.124 -2.077 -6.457 293 HB3 LYS 36 HB3 LYS 36 1.410 -2.549 -7.521 294 HG2 LYS 36 HG2 LYS 36 -0.356 -3.209 -9.191 295 HG3 LYS 36 HG3 LYS 36 -1.483 -2.411 -8.128 296 HD2 LYS 36 HD2 LYS 36 -0.348 -0.368 -8.268 297 HD3 LYS 36 HD3 LYS 36 0.906 -1.143 -9.191 298 HE2 LYS 36 HE2 LYS 36 -0.434 0.047 -10.707 299 HE3 LYS 36 HE3 LYS 36 -0.771 -1.654 -10.950 300 HZ1 LYS 36 HZ1 LYS 36 -2.438 0.149 -9.294 301 HZ2 LYS 36 HZ2 LYS 36 -2.808 -1.437 -9.777 302 HZ3 LYS 36 HZ3 LYS 36 -2.748 -0.191 -10.919 303 H VAL 37 H VAL 37 0.386 -3.274 -4.440 304 HA VAL 37 HA VAL 37 3.035 -3.171 -3.844 305 HB VAL 37 HB VAL 37 2.440 -3.110 -1.494 306 HG11 VAL 37 HG11 VAL 37 1.918 -1.167 -3.117 307 HG12 VAL 37 HG12 VAL 37 1.219 -1.124 -1.501 308 HG13 VAL 37 HG13 VAL 37 0.229 -1.635 -2.874 309 HG21 VAL 37 HG21 VAL 37 -0.105 -4.272 -2.440 310 HG22 VAL 37 HG22 VAL 37 -0.099 -3.216 -1.025 311 HG23 VAL 37 HG23 VAL 37 0.887 -4.681 -1.034 312 H ILE 38 H ILE 38 0.789 -5.724 -3.125 313 HA ILE 38 HA ILE 38 2.443 -7.512 -1.762 314 HB ILE 38 HB ILE 38 0.249 -8.427 -3.599 315 HG12 ILE 38 HG12 ILE 38 -0.044 -6.874 -1.054 316 HG13 ILE 38 HG13 ILE 38 -0.772 -6.545 -2.607 317 HG21 ILE 38 HG21 ILE 38 1.223 -9.333 -0.907 318 HG22 ILE 38 HG22 ILE 38 1.407 -10.167 -2.447 319 HG23 ILE 38 HG23 ILE 38 -0.191 -9.994 -1.722 320 HD11 ILE 38 HD11 ILE 38 -2.257 -7.490 -0.755 321 HD12 ILE 38 HD12 ILE 38 -1.461 -9.027 -1.097 322 HD13 ILE 38 HD13 ILE 38 -2.368 -8.205 -2.363 323 H SER 39 H SER 39 1.824 -6.795 -5.053 324 HA SER 39 HA SER 39 3.112 -9.126 -6.026 325 HB2 SER 39 HB2 SER 39 1.255 -7.992 -7.259 326 HB3 SER 39 HB3 SER 39 2.354 -6.654 -7.591 327 HG SER 39 HG SER 39 2.284 -8.119 -9.332 328 H THR 40 H THR 40 4.071 -6.027 -5.055 329 HA THR 40 HA THR 40 6.517 -5.916 -6.586 330 HB THR 40 HB THR 40 5.597 -4.160 -4.303 331 HG1 THR 40 HG1 THR 40 4.228 -4.302 -6.292 332 HG21 THR 40 HG21 THR 40 7.621 -3.643 -6.484 333 HG22 THR 40 HG22 THR 40 8.006 -4.010 -4.802 334 HG23 THR 40 HG23 THR 40 7.149 -2.521 -5.207 335 H SER 41 H SER 41 5.609 -6.436 -3.184 336 HA SER 41 HA SER 41 8.382 -6.353 -2.362 337 HB2 SER 41 HB2 SER 41 7.327 -6.598 -0.078 338 HB3 SER 41 HB3 SER 41 6.829 -5.179 -1.003 339 HG SER 41 HG SER 41 5.074 -6.386 -0.003 340 H THR 42 H THR 42 6.054 -8.862 -2.997 341 HA THR 42 HA THR 42 6.898 -10.590 -0.908 342 HB THR 42 HB THR 42 5.535 -12.323 -2.127 343 HG1 THR 42 HG1 THR 42 4.461 -10.289 -3.716 344 HG21 THR 42 HG21 THR 42 4.575 -10.953 -0.357 345 HG22 THR 42 HG22 THR 42 3.394 -11.191 -1.644 346 HG23 THR 42 HG23 THR 42 4.254 -9.654 -1.508 347 H SER 43 H SER 43 8.064 -10.089 -4.125 348 HA SER 43 HA SER 43 9.867 -12.380 -3.718 349 HB2 SER 43 HB2 SER 43 8.281 -12.452 -5.737 350 HB3 SER 43 HB3 SER 43 9.263 -11.153 -6.410 351 HG SER 43 HG SER 43 10.367 -13.604 -5.513 352 H ASP 44 H ASP 44 10.070 -9.620 -2.725 353 HA ASP 44 HA ASP 44 12.639 -8.936 -3.995 354 HB2 ASP 44 HB2 ASP 44 10.882 -7.227 -4.439 355 HB3 ASP 44 HB3 ASP 44 10.719 -6.990 -2.703 356 HA PRO 45 HA PRO 45 13.465 -9.914 0.389 357 HB2 PRO 45 HB2 PRO 45 15.586 -11.497 -0.028 358 HB3 PRO 45 HB3 PRO 45 13.949 -12.079 -0.296 359 HG2 PRO 45 HG2 PRO 45 15.998 -11.170 -2.240 360 HG3 PRO 45 HG3 PRO 45 14.861 -12.510 -2.331 361 HD2 PRO 45 HD2 PRO 45 14.509 -10.035 -3.536 362 HD3 PRO 45 HD3 PRO 45 13.210 -11.193 -3.197 363 H ASP 46 H ASP 46 15.400 -9.555 1.699 364 HA ASP 46 HA ASP 46 17.383 -7.762 0.497 365 HB2 ASP 46 HB2 ASP 46 15.764 -6.291 1.568 366 HB3 ASP 46 HB3 ASP 46 15.861 -7.224 3.058 367 H TYR 47 H TYR 47 16.494 -9.289 3.584 368 HA TYR 47 HA TYR 47 19.274 -9.780 4.190 369 HB2 TYR 47 HB2 TYR 47 16.742 -10.350 5.690 370 HB3 TYR 47 HB3 TYR 47 18.330 -10.805 6.285 371 HD1 TYR 47 HD1 TYR 47 15.917 -8.148 5.954 372 HD2 TYR 47 HD2 TYR 47 20.009 -8.994 6.756 373 HE1 TYR 47 HE1 TYR 47 16.178 -5.918 6.957 374 HE2 TYR 47 HE2 TYR 47 20.281 -6.766 7.757 375 HH TYR 47 HH TYR 47 19.224 -4.567 7.675 376 H ALA 48 H ALA 48 19.783 -11.206 2.484 377 HA ALA 48 HA ALA 48 18.409 -13.717 2.223 378 HB1 ALA 48 HB1 ALA 48 20.114 -14.248 0.568 379 HB2 ALA 48 HB2 ALA 48 21.045 -12.831 1.050 380 HB3 ALA 48 HB3 ALA 48 19.466 -12.632 0.291 381 H1 SER 0 H1 SER 0 0.391 13.756 4.722 382 H2 SER 0 H2 SER 0 -1.152 14.363 5.071 383 H3 SER 0 H3 SER 0 0.217 15.267 5.463 384 HA SER 0 HA SER 0 -0.662 14.573 2.726 385 HB2 SER 0 HB2 SER 0 -0.650 17.271 4.099 386 HB3 SER 0 HB3 SER 0 -1.319 16.884 2.515 387 HG SER 0 HG SER 0 -2.791 17.006 4.449 388 H MET 1 H MET 1 0.419 16.743 1.472 389 HA MET 1 HA MET 1 2.298 17.669 0.619 390 HB2 MET 1 HB2 MET 1 3.454 16.924 3.301 391 HB3 MET 1 HB3 MET 1 4.367 17.774 2.062 392 HG2 MET 1 HG2 MET 1 1.826 18.749 3.347 393 HG3 MET 1 HG3 MET 1 3.456 19.295 3.737 394 HE1 MET 1 HE1 MET 1 1.131 21.317 2.993 395 HE2 MET 1 HE2 MET 1 1.984 22.407 1.903 396 HE3 MET 1 HE3 MET 1 2.784 21.809 3.356 397 H ASP 2 H ASP 2 4.458 17.151 -0.202 398 HA ASP 2 HA ASP 2 4.933 14.250 -0.411 399 HB2 ASP 2 HB2 ASP 2 3.813 15.131 -2.451 400 HB3 ASP 2 HB3 ASP 2 5.132 16.277 -2.655 401 H GLU 3 H GLU 3 6.270 17.463 -1.035 402 HA GLU 3 HA GLU 3 8.202 18.467 -0.466 403 HB2 GLU 3 HB2 GLU 3 8.431 16.151 1.453 404 HB3 GLU 3 HB3 GLU 3 9.493 17.553 1.459 405 HG2 GLU 3 HG2 GLU 3 7.483 18.984 1.808 406 HG3 GLU 3 HG3 GLU 3 6.534 17.509 1.987 407 H THR 4 H THR 4 10.719 17.617 0.146 408 HA THR 4 HA THR 4 11.662 16.962 -2.442 409 HB THR 4 HB THR 4 13.912 16.886 -1.226 410 HG1 THR 4 HG1 THR 4 13.771 17.867 0.912 411 HG21 THR 4 HG21 THR 4 13.947 19.325 -0.920 412 HG22 THR 4 HG22 THR 4 12.185 19.352 -0.990 413 HG23 THR 4 HG23 THR 4 13.115 18.868 -2.406 414 H VAL 5 H VAL 5 12.207 15.274 0.652 415 HA VAL 5 HA VAL 5 12.487 13.090 1.187 416 HB VAL 5 HB VAL 5 11.109 12.555 -1.450 417 HG11 VAL 5 HG11 VAL 5 12.300 10.591 -0.804 418 HG12 VAL 5 HG12 VAL 5 10.602 10.341 -0.401 419 HG13 VAL 5 HG13 VAL 5 11.761 10.749 0.865 420 HG21 VAL 5 HG21 VAL 5 9.726 13.838 0.089 421 HG22 VAL 5 HG22 VAL 5 10.032 12.662 1.367 422 HG23 VAL 5 HG23 VAL 5 9.117 12.190 -0.063 423 H LYS 6 H LYS 6 14.620 12.724 1.249 424 HA LYS 6 HA LYS 6 16.017 12.285 -1.293 425 HB2 LYS 6 HB2 LYS 6 17.145 13.016 1.403 426 HB3 LYS 6 HB3 LYS 6 18.087 12.764 -0.050 427 HG2 LYS 6 HG2 LYS 6 16.033 14.897 0.350 428 HG3 LYS 6 HG3 LYS 6 17.776 15.121 0.396 429 HD2 LYS 6 HD2 LYS 6 17.909 14.394 -1.944 430 HD3 LYS 6 HD3 LYS 6 16.159 14.208 -1.984 431 HE2 LYS 6 HE2 LYS 6 16.775 16.305 -2.993 432 HE3 LYS 6 HE3 LYS 6 15.935 16.598 -1.478 433 HZ1 LYS 6 HZ1 LYS 6 18.881 16.663 -1.819 434 HZ2 LYS 6 HZ2 LYS 6 18.031 17.025 -0.404 435 HZ3 LYS 6 HZ3 LYS 6 17.881 18.025 -1.755 436 H LEU 7 H LEU 7 17.065 11.212 1.908 437 HA LEU 7 HA LEU 7 17.760 8.667 0.787 438 HB2 LEU 7 HB2 LEU 7 18.787 8.157 2.886 439 HB3 LEU 7 HB3 LEU 7 19.198 9.792 2.447 440 HG LEU 7 HG LEU 7 17.014 9.153 4.420 441 HD11 LEU 7 HD11 LEU 7 19.088 8.163 5.224 442 HD12 LEU 7 HD12 LEU 7 18.649 9.575 6.182 443 HD13 LEU 7 HD13 LEU 7 19.925 9.692 4.973 444 HD21 LEU 7 HD21 LEU 7 17.561 11.458 5.185 445 HD22 LEU 7 HD22 LEU 7 16.898 11.372 3.554 446 HD23 LEU 7 HD23 LEU 7 18.628 11.608 3.788 447 H ASN 8 H ASN 8 15.629 9.593 3.498 448 HA ASN 8 HA ASN 8 14.347 6.967 3.345 449 HB2 ASN 8 HB2 ASN 8 13.702 9.258 5.222 450 HB3 ASN 8 HB3 ASN 8 13.189 7.590 5.376 451 HD21 ASN 8 HD21 ASN 8 14.617 9.224 7.267 452 HD22 ASN 8 HD22 ASN 8 16.097 8.396 7.588 453 H HIS 9 H HIS 9 12.323 6.696 2.483 454 HA HIS 9 HA HIS 9 11.129 9.025 1.176 455 HB2 HIS 9 HB2 HIS 9 10.400 6.109 0.905 456 HB3 HIS 9 HB3 HIS 9 9.760 7.425 -0.059 457 HD1 HIS 9 HD1 HIS 9 10.826 7.669 -2.269 458 HD2 HIS 9 HD2 HIS 9 13.389 5.920 0.502 459 HE1 HIS 9 HE1 HIS 9 12.915 7.101 -3.543 460 HE2 HIS 9 HE2 HIS 9 14.484 6.119 -1.833 461 H THR 10 H THR 10 9.155 9.813 1.759 462 HA THR 10 HA THR 10 8.270 9.108 4.389 463 HB THR 10 HB THR 10 6.934 10.970 2.405 464 HG1 THR 10 HG1 THR 10 8.155 12.590 3.471 465 HG21 THR 10 HG21 THR 10 5.484 10.354 4.288 466 HG22 THR 10 HG22 THR 10 5.990 12.037 4.418 467 HG23 THR 10 HG23 THR 10 6.751 10.810 5.425 468 H CYS 11 H CYS 11 6.782 7.724 4.954 469 HA CYS 11 HA CYS 11 5.432 6.096 3.057 470 HB2 CYS 11 HB2 CYS 11 5.983 5.278 5.305 471 HB3 CYS 11 HB3 CYS 11 4.935 6.489 6.020 472 H VAL 12 H VAL 12 3.738 6.647 1.895 473 HA VAL 12 HA VAL 12 2.184 8.941 2.198 474 HB VAL 12 HB VAL 12 0.487 7.736 0.767 475 HG11 VAL 12 HG11 VAL 12 2.280 9.059 -0.227 476 HG12 VAL 12 HG12 VAL 12 1.912 7.641 -1.212 477 HG13 VAL 12 HG13 VAL 12 3.345 7.654 -0.183 478 HG21 VAL 12 HG21 VAL 12 1.104 5.569 -0.164 479 HG22 VAL 12 HG22 VAL 12 0.910 5.473 1.586 480 HG23 VAL 12 HG23 VAL 12 2.525 5.518 0.879 481 H ILE 13 H ILE 13 2.192 6.121 4.031 482 HA ILE 13 HA ILE 13 -0.583 6.314 4.903 483 HB ILE 13 HB ILE 13 1.370 4.310 5.899 484 HG12 ILE 13 HG12 ILE 13 1.511 4.335 3.430 485 HG13 ILE 13 HG13 ILE 13 0.838 2.850 4.079 486 HG21 ILE 13 HG21 ILE 13 -1.589 4.207 5.397 487 HG22 ILE 13 HG22 ILE 13 -0.820 4.474 6.964 488 HG23 ILE 13 HG23 ILE 13 -0.607 2.933 6.126 489 HD11 ILE 13 HD11 ILE 13 -0.745 5.110 2.934 490 HD12 ILE 13 HD12 ILE 13 -1.379 3.580 3.540 491 HD13 ILE 13 HD13 ILE 13 -0.345 3.600 2.112 492 H CYS 14 H CYS 14 2.638 6.072 6.320 493 HA CYS 14 HA CYS 14 1.674 6.804 8.933 494 HB2 CYS 14 HB2 CYS 14 4.442 6.302 7.922 495 HB3 CYS 14 HB3 CYS 14 4.058 6.585 9.595 496 H ASP 15 H ASP 15 2.869 8.451 6.206 497 HA ASP 15 HA ASP 15 3.743 10.484 5.770 498 HB2 ASP 15 HB2 ASP 15 2.212 11.091 8.235 499 HB3 ASP 15 HB3 ASP 15 3.084 12.345 7.388 500 H GLN 16 H GLN 16 5.431 8.682 6.941 501 HA GLN 16 HA GLN 16 7.233 10.366 8.521 502 HB2 GLN 16 HB2 GLN 16 6.753 7.401 8.879 503 HB3 GLN 16 HB3 GLN 16 7.931 8.356 9.755 504 HG2 GLN 16 HG2 GLN 16 4.970 8.705 9.873 505 HG3 GLN 16 HG3 GLN 16 5.951 7.905 11.082 506 HE21 GLN 16 HE21 GLN 16 4.214 10.167 11.383 507 HE22 GLN 16 HE22 GLN 16 5.195 11.456 11.971 508 H GLU 17 H GLU 17 9.401 10.152 7.994 509 HA GLU 17 HA GLU 17 9.923 9.250 5.336 510 HB2 GLU 17 HB2 GLU 17 11.684 10.605 7.371 511 HB3 GLU 17 HB3 GLU 17 12.184 10.210 5.732 512 HG2 GLU 17 HG2 GLU 17 10.540 11.645 4.798 513 HG3 GLU 17 HG3 GLU 17 9.817 11.917 6.378 514 H LYS 18 H LYS 18 10.185 7.288 5.010 515 HA LYS 18 HA LYS 18 11.873 5.613 6.758 516 HB2 LYS 18 HB2 LYS 18 9.782 4.322 5.160 517 HB3 LYS 18 HB3 LYS 18 10.401 3.889 6.721 518 HG2 LYS 18 HG2 LYS 18 8.471 6.114 6.170 519 HG3 LYS 18 HG3 LYS 18 8.064 4.531 6.831 520 HD2 LYS 18 HD2 LYS 18 10.112 6.170 8.206 521 HD3 LYS 18 HD3 LYS 18 8.436 6.613 8.373 522 HE2 LYS 18 HE2 LYS 18 9.149 5.204 10.204 523 HE3 LYS 18 HE3 LYS 18 7.952 4.413 9.206 524 HZ1 LYS 18 HZ1 LYS 18 10.858 3.924 9.005 525 HZ2 LYS 18 HZ2 LYS 18 9.640 3.077 8.196 526 HZ3 LYS 18 HZ3 LYS 18 9.789 2.948 9.873 527 H ASN 19 H ASN 19 13.542 4.625 5.734 528 HA ASN 19 HA ASN 19 13.764 5.008 2.883 529 HB2 ASN 19 HB2 ASN 19 15.754 5.443 4.022 530 HB3 ASN 19 HB3 ASN 19 15.613 3.990 4.973 531 HD21 ASN 19 HD21 ASN 19 16.390 2.069 4.189 532 HD22 ASN 19 HD22 ASN 19 17.292 1.951 2.684 533 H ARG 20 H ARG 20 12.817 2.456 5.006 534 HA ARG 20 HA ARG 20 13.099 0.536 2.813 535 HB2 ARG 20 HB2 ARG 20 12.959 0.155 5.772 536 HB3 ARG 20 HB3 ARG 20 12.641 -1.177 4.690 537 HG2 ARG 20 HG2 ARG 20 14.837 -0.774 3.648 538 HG3 ARG 20 HG3 ARG 20 15.161 0.384 4.928 539 HD2 ARG 20 HD2 ARG 20 14.792 -1.300 6.533 540 HD3 ARG 20 HD3 ARG 20 14.349 -2.463 5.326 541 HE ARG 20 HE ARG 20 17.067 -1.336 5.560 542 HH11 ARG 20 HH11 ARG 20 14.887 -4.027 4.970 543 HH12 ARG 20 HH12 ARG 20 16.171 -5.135 4.599 544 HH21 ARG 20 HH21 ARG 20 18.742 -2.830 5.061 545 HH22 ARG 20 HH22 ARG 20 18.331 -4.466 4.631 546 H GLY 21 H GLY 21 11.470 -0.317 1.835 547 HA2 GLY 21 HA2 GLY 21 8.967 -1.030 2.499 548 HA3 GLY 21 HA3 GLY 21 8.799 0.709 2.298 549 H ILE 22 H ILE 22 7.400 0.196 0.330 550 HA ILE 22 HA ILE 22 9.156 -0.525 -1.912 551 HB ILE 22 HB ILE 22 7.476 -1.653 -3.006 552 HG12 ILE 22 HG12 ILE 22 5.500 -0.204 -1.284 553 HG13 ILE 22 HG13 ILE 22 5.909 0.215 -2.911 554 HG21 ILE 22 HG21 ILE 22 6.287 -3.109 -1.383 555 HG22 ILE 22 HG22 ILE 22 6.853 -2.055 -0.087 556 HG23 ILE 22 HG23 ILE 22 8.016 -2.956 -1.061 557 HD11 ILE 22 HD11 ILE 22 3.883 -0.914 -3.073 558 HD12 ILE 22 HD12 ILE 22 4.403 -2.165 -1.930 559 HD13 ILE 22 HD13 ILE 22 5.107 -2.097 -3.549 560 H HIS 23 H HIS 23 7.793 0.211 -3.963 561 HA HIS 23 HA HIS 23 6.818 2.884 -3.771 562 HB2 HIS 23 HB2 HIS 23 8.614 3.900 -5.176 563 HB3 HIS 23 HB3 HIS 23 9.169 3.428 -3.589 564 HD1 HIS 23 HD1 HIS 23 9.720 2.827 -7.206 565 HD2 HIS 23 HD2 HIS 23 10.917 1.256 -3.570 566 HE1 HIS 23 HE1 HIS 23 11.722 1.398 -7.724 567 HE2 HIS 23 HE2 HIS 23 12.322 0.311 -5.529 568 H LEU 24 H LEU 24 5.154 2.734 -5.065 569 HA LEU 24 HA LEU 24 5.159 0.899 -7.285 570 HB2 LEU 24 HB2 LEU 24 3.159 2.223 -5.693 571 HB3 LEU 24 HB3 LEU 24 2.830 2.473 -7.376 572 HG LEU 24 HG LEU 24 1.601 0.574 -6.650 573 HD11 LEU 24 HD11 LEU 24 4.008 -0.354 -8.189 574 HD12 LEU 24 HD12 LEU 24 2.538 0.329 -8.874 575 HD13 LEU 24 HD13 LEU 24 2.484 -1.218 -8.035 576 HD21 LEU 24 HD21 LEU 24 2.596 -1.350 -5.695 577 HD22 LEU 24 HD22 LEU 24 2.883 0.075 -4.696 578 HD23 LEU 24 HD23 LEU 24 4.173 -0.568 -5.712 579 H TYR 25 H TYR 25 3.970 4.214 -7.155 580 HA TYR 25 HA TYR 25 4.855 4.546 -9.902 581 HB2 TYR 25 HB2 TYR 25 3.032 6.367 -8.382 582 HB3 TYR 25 HB3 TYR 25 3.292 6.346 -10.111 583 HD1 TYR 25 HD1 TYR 25 3.107 3.004 -9.000 584 HD2 TYR 25 HD2 TYR 25 0.635 6.383 -9.805 585 HE1 TYR 25 HE1 TYR 25 1.180 1.528 -9.161 586 HE2 TYR 25 HE2 TYR 25 -1.335 4.907 -10.000 587 HH TYR 25 HH TYR 25 -1.777 2.541 -10.545 588 H THR 26 H THR 26 4.337 7.312 -7.878 589 HA THR 26 HA THR 26 7.231 7.814 -7.905 590 HB THR 26 HB THR 26 6.768 10.155 -7.823 591 HG1 THR 26 HG1 THR 26 5.059 10.770 -6.743 592 HG21 THR 26 HG21 THR 26 6.419 9.080 -10.021 593 HG22 THR 26 HG22 THR 26 5.402 10.508 -9.805 594 HG23 THR 26 HG23 THR 26 4.707 8.895 -9.630 595 H LYS 27 H LYS 27 5.190 6.391 -5.928 596 HA LYS 27 HA LYS 27 5.646 8.120 -3.593 597 HB2 LYS 27 HB2 LYS 27 3.676 5.972 -3.291 598 HB3 LYS 27 HB3 LYS 27 3.606 7.639 -2.768 599 HG2 LYS 27 HG2 LYS 27 2.975 6.553 -5.477 600 HG3 LYS 27 HG3 LYS 27 1.858 7.206 -4.289 601 HD2 LYS 27 HD2 LYS 27 4.016 8.782 -5.669 602 HD3 LYS 27 HD3 LYS 27 2.310 8.775 -6.122 603 HE2 LYS 27 HE2 LYS 27 2.575 9.270 -3.311 604 HE3 LYS 27 HE3 LYS 27 3.562 10.418 -4.217 605 HZ1 LYS 27 HZ1 LYS 27 1.549 10.910 -5.565 606 HZ2 LYS 27 HZ2 LYS 27 1.369 11.309 -3.935 607 HZ3 LYS 27 HZ3 LYS 27 0.646 9.909 -4.545 608 H PHE 28 H PHE 28 5.117 6.646 -1.589 609 HA PHE 28 HA PHE 28 6.697 4.212 -1.620 610 HB2 PHE 28 HB2 PHE 28 8.416 5.791 -1.152 611 HB3 PHE 28 HB3 PHE 28 7.391 6.682 -0.035 612 HD1 PHE 28 HD1 PHE 28 9.379 3.619 -0.486 613 HD2 PHE 28 HD2 PHE 28 7.133 6.002 2.222 614 HE1 PHE 28 HE1 PHE 28 10.266 2.314 1.398 615 HE2 PHE 28 HE2 PHE 28 8.011 4.706 4.111 616 HZ PHE 28 HZ PHE 28 9.575 2.849 3.712 617 H ILE 29 H ILE 29 5.415 2.791 -0.660 618 HA ILE 29 HA ILE 29 3.983 3.558 1.785 619 HB ILE 29 HB ILE 29 4.011 0.864 0.391 620 HG12 ILE 29 HG12 ILE 29 1.509 1.574 0.015 621 HG13 ILE 29 HG13 ILE 29 2.155 3.205 0.166 622 HG21 ILE 29 HG21 ILE 29 3.618 0.766 2.814 623 HG22 ILE 29 HG22 ILE 29 2.183 0.292 1.896 624 HG23 ILE 29 HG23 ILE 29 2.266 1.893 2.628 625 HD11 ILE 29 HD11 ILE 29 3.171 1.164 -1.791 626 HD12 ILE 29 HD12 ILE 29 3.598 2.873 -1.707 627 HD13 ILE 29 HD13 ILE 29 1.963 2.393 -2.163 628 H CYS 30 H CYS 30 4.956 3.141 3.733 629 HA CYS 30 HA CYS 30 7.568 2.038 3.742 630 HB2 CYS 30 HB2 CYS 30 7.657 2.428 6.024 631 HB3 CYS 30 HB3 CYS 30 6.479 3.611 5.509 632 H LEU 31 H LEU 31 8.262 0.167 4.634 633 HA LEU 31 HA LEU 31 7.213 -2.000 3.405 634 HB2 LEU 31 HB2 LEU 31 8.937 -3.178 4.365 635 HB3 LEU 31 HB3 LEU 31 9.542 -1.558 4.302 636 HG LEU 31 HG LEU 31 8.608 -1.516 6.795 637 HD11 LEU 31 HD11 LEU 31 9.368 -4.408 6.387 638 HD12 LEU 31 HD12 LEU 31 7.746 -3.808 6.729 639 HD13 LEU 31 HD13 LEU 31 9.023 -3.628 7.931 640 HD21 LEU 31 HD21 LEU 31 10.879 -2.086 7.545 641 HD22 LEU 31 HD22 LEU 31 10.877 -0.995 6.159 642 HD23 LEU 31 HD23 LEU 31 11.237 -2.706 5.933 643 H ASP 32 H ASP 32 6.337 -0.702 6.409 644 HA ASP 32 HA ASP 32 5.399 -3.187 7.550 645 HB2 ASP 32 HB2 ASP 32 6.321 -1.007 8.741 646 HB3 ASP 32 HB3 ASP 32 4.628 -0.572 8.666 647 H CYS 33 H CYS 33 4.174 -0.292 6.115 648 HA CYS 33 HA CYS 33 1.430 -0.952 6.405 649 HB2 CYS 33 HB2 CYS 33 2.736 1.148 4.696 650 HB3 CYS 33 HB3 CYS 33 1.027 0.857 4.742 651 H GLU 34 H GLU 34 3.891 -1.293 4.046 652 HA GLU 34 HA GLU 34 2.475 -2.156 1.863 653 HB2 GLU 34 HB2 GLU 34 4.806 -1.739 1.700 654 HB3 GLU 34 HB3 GLU 34 5.170 -2.887 2.954 655 HG2 GLU 34 HG2 GLU 34 3.898 -3.934 0.534 656 HG3 GLU 34 HG3 GLU 34 5.553 -3.397 0.404 657 H ARG 35 H ARG 35 3.672 -4.020 4.586 658 HA ARG 35 HA ARG 35 2.208 -6.302 3.732 659 HB2 ARG 35 HB2 ARG 35 2.829 -7.311 5.960 660 HB3 ARG 35 HB3 ARG 35 4.102 -6.992 4.794 661 HG2 ARG 35 HG2 ARG 35 4.148 -4.710 6.186 662 HG3 ARG 35 HG3 ARG 35 3.603 -5.832 7.412 663 HD2 ARG 35 HD2 ARG 35 6.046 -5.645 7.363 664 HD3 ARG 35 HD3 ARG 35 5.493 -7.258 6.938 665 HE ARG 35 HE ARG 35 5.868 -5.543 4.665 666 HH11 ARG 35 HH11 ARG 35 7.514 -7.756 6.836 667 HH12 ARG 35 HH12 ARG 35 8.735 -8.163 5.676 668 HH21 ARG 35 HH21 ARG 35 7.436 -6.073 3.155 669 HH22 ARG 35 HH22 ARG 35 8.705 -7.191 3.576 670 H LYS 36 H LYS 36 1.377 -3.646 5.712 671 HA LYS 36 HA LYS 36 -0.612 -4.821 7.300 672 HB2 LYS 36 HB2 LYS 36 -0.253 -2.048 6.207 673 HB3 LYS 36 HB3 LYS 36 -1.530 -2.496 7.294 674 HG2 LYS 36 HG2 LYS 36 0.266 -3.134 8.916 675 HG3 LYS 36 HG3 LYS 36 1.396 -2.384 7.847 676 HD2 LYS 36 HD2 LYS 36 0.229 -0.374 8.033 677 HD3 LYS 36 HD3 LYS 36 -1.036 -1.092 8.982 678 HE2 LYS 36 HE2 LYS 36 0.362 0.087 10.464 679 HE3 LYS 36 HE3 LYS 36 0.667 -1.621 10.712 680 HZ1 LYS 36 HZ1 LYS 36 2.361 0.140 9.041 681 HZ2 LYS 36 HZ2 LYS 36 2.702 -1.450 9.534 682 HZ3 LYS 36 HZ3 LYS 36 2.669 -0.196 10.667 683 H VAL 37 H VAL 37 -0.523 -3.247 4.209 684 HA VAL 37 HA VAL 37 -3.170 -3.101 3.614 685 HB VAL 37 HB VAL 37 -2.575 -3.058 1.265 686 HG11 VAL 37 HG11 VAL 37 -2.019 -1.120 2.882 687 HG12 VAL 37 HG12 VAL 37 -1.318 -1.093 1.265 688 HG13 VAL 37 HG13 VAL 37 -0.338 -1.619 2.640 689 HG21 VAL 37 HG21 VAL 37 -0.051 -4.262 2.213 690 HG22 VAL 37 HG22 VAL 37 -0.039 -3.213 0.794 691 HG23 VAL 37 HG23 VAL 37 -1.051 -4.658 0.808 692 H ILE 38 H ILE 38 -0.970 -5.698 2.902 693 HA ILE 38 HA ILE 38 -2.658 -7.459 1.546 694 HB ILE 38 HB ILE 38 -0.480 -8.407 3.388 695 HG12 ILE 38 HG12 ILE 38 -0.159 -6.866 0.836 696 HG13 ILE 38 HG13 ILE 38 0.575 -6.547 2.390 697 HG21 ILE 38 HG21 ILE 38 -1.468 -9.304 0.697 698 HG22 ILE 38 HG22 ILE 38 -1.667 -10.129 2.239 699 HG23 ILE 38 HG23 ILE 38 -0.067 -9.986 1.514 700 HD11 ILE 38 HD11 ILE 38 2.044 -7.525 0.540 701 HD12 ILE 38 HD12 ILE 38 1.221 -9.046 0.888 702 HD13 ILE 38 HD13 ILE 38 2.141 -8.236 2.151 703 H SER 39 H SER 39 -2.020 -6.745 4.835 704 HA SER 39 HA SER 39 -3.357 -9.044 5.817 705 HB2 SER 39 HB2 SER 39 -1.479 -7.943 7.046 706 HB3 SER 39 HB3 SER 39 -2.549 -6.581 7.371 707 HG SER 39 HG SER 39 -2.483 -8.068 9.113 708 H THR 40 H THR 40 -4.257 -5.930 4.836 709 HA THR 40 HA THR 40 -6.698 -5.774 6.367 710 HB THR 40 HB THR 40 -5.749 -4.042 4.078 711 HG1 THR 40 HG1 THR 40 -4.385 -4.202 6.071 712 HG21 THR 40 HG21 THR 40 -7.766 -3.485 6.255 713 HG22 THR 40 HG22 THR 40 -8.156 -3.851 4.575 714 HG23 THR 40 HG23 THR 40 -7.275 -2.376 4.976 715 H SER 41 H SER 41 -5.801 -6.320 2.965 716 HA SER 41 HA SER 41 -8.574 -6.191 2.145 717 HB2 SER 41 HB2 SER 41 -7.519 -6.464 -0.140 718 HB3 SER 41 HB3 SER 41 -7.007 -5.047 0.781 719 HG SER 41 HG SER 41 -5.270 -6.307 -0.218 720 H THR 42 H THR 42 -6.289 -8.739 2.780 721 HA THR 42 HA THR 42 -7.164 -10.463 0.700 722 HB THR 42 HB THR 42 -5.832 -12.214 1.932 723 HG1 THR 42 HG1 THR 42 -4.716 -10.197 3.511 724 HG21 THR 42 HG21 THR 42 -4.851 -10.869 0.155 725 HG22 THR 42 HG22 THR 42 -3.672 -11.121 1.442 726 HG23 THR 42 HG23 THR 42 -4.505 -9.571 1.301 727 H SER 43 H SER 43 -8.315 -9.936 3.923 728 HA SER 43 HA SER 43 -10.165 -12.192 3.520 729 HB2 SER 43 HB2 SER 43 -8.583 -12.293 5.539 730 HB3 SER 43 HB3 SER 43 -9.533 -10.967 6.206 731 HG SER 43 HG SER 43 -10.685 -13.407 5.335 732 H ASP 44 H ASP 44 -10.316 -9.432 2.515 733 HA ASP 44 HA ASP 44 -12.872 -8.701 3.784 734 HB2 ASP 44 HB2 ASP 44 -11.084 -7.018 4.225 735 HB3 ASP 44 HB3 ASP 44 -10.924 -6.786 2.487 736 HA PRO 45 HA PRO 45 -13.718 -9.686 -0.593 737 HB2 PRO 45 HB2 PRO 45 -15.878 -11.208 -0.163 738 HB3 PRO 45 HB3 PRO 45 -14.281 -11.822 0.119 739 HG2 PRO 45 HG2 PRO 45 -16.233 -10.906 2.016 740 HG3 PRO 45 HG3 PRO 45 -15.134 -12.249 2.159 741 HD2 PRO 45 HD2 PRO 45 -14.773 -9.760 3.325 742 HD3 PRO 45 HD3 PRO 45 -13.497 -10.937 2.995 743 H ASP 46 H ASP 46 -15.635 -9.272 -1.917 744 HA ASP 46 HA ASP 46 -17.596 -7.456 -0.706 745 HB2 ASP 46 HB2 ASP 46 -15.959 -6.013 -1.783 746 HB3 ASP 46 HB3 ASP 46 -16.067 -6.951 -3.269 747 H TYR 47 H TYR 47 -16.739 -9.003 -3.791 748 HA TYR 47 HA TYR 47 -19.529 -9.452 -4.393 749 HB2 TYR 47 HB2 TYR 47 -17.002 -10.068 -5.886 750 HB3 TYR 47 HB3 TYR 47 -18.595 -10.498 -6.480 751 HD1 TYR 47 HD1 TYR 47 -16.140 -7.883 -6.162 752 HD2 TYR 47 HD2 TYR 47 -20.245 -8.661 -6.956 753 HE1 TYR 47 HE1 TYR 47 -16.362 -5.655 -7.178 754 HE2 TYR 47 HE2 TYR 47 -20.479 -6.436 -7.970 755 HH TYR 47 HH TYR 47 -19.391 -4.262 -7.907 756 H ALA 48 H ALA 48 -20.059 -10.866 -2.685 757 HA ALA 48 HA ALA 48 -18.725 -13.395 -2.408 758 HB1 ALA 48 HB1 ALA 48 -20.442 -13.893 -0.755 759 HB2 ALA 48 HB2 ALA 48 -21.347 -12.460 -1.243 760 HB3 ALA 48 HB3 ALA 48 -19.766 -12.288 -0.484 Start of MODEL 6 1 H1 SER 0 H1 SER 0 -2.249 22.344 8.276 2 H2 SER 0 H2 SER 0 -0.818 22.001 7.445 3 H3 SER 0 H3 SER 0 -0.913 23.365 8.441 4 HA SER 0 HA SER 0 0.337 21.646 9.513 5 HB2 SER 0 HB2 SER 0 -1.123 21.443 11.583 6 HB3 SER 0 HB3 SER 0 -0.858 23.083 10.996 7 HG SER 0 HG SER 0 -3.039 22.792 11.457 8 H MET 1 H MET 1 -3.065 20.531 9.525 9 HA MET 1 HA MET 1 -2.130 17.884 8.692 10 HB2 MET 1 HB2 MET 1 -2.268 17.963 11.198 11 HB3 MET 1 HB3 MET 1 -3.989 18.285 11.045 12 HG2 MET 1 HG2 MET 1 -4.273 16.135 9.895 13 HG3 MET 1 HG3 MET 1 -2.554 15.812 10.095 14 HE1 MET 1 HE1 MET 1 -1.386 15.374 12.414 15 HE2 MET 1 HE2 MET 1 -2.213 15.452 13.969 16 HE3 MET 1 HE3 MET 1 -1.976 16.921 13.023 17 H ASP 2 H ASP 2 -3.299 19.528 6.952 18 HA ASP 2 HA ASP 2 -6.135 18.868 6.836 19 HB2 ASP 2 HB2 ASP 2 -5.448 21.111 6.094 20 HB3 ASP 2 HB3 ASP 2 -4.407 20.391 4.868 21 H GLU 3 H GLU 3 -6.618 16.879 6.214 22 HA GLU 3 HA GLU 3 -5.609 15.762 3.781 23 HB2 GLU 3 HB2 GLU 3 -3.703 15.369 5.294 24 HB3 GLU 3 HB3 GLU 3 -4.768 14.528 6.409 25 HG2 GLU 3 HG2 GLU 3 -5.175 12.812 4.722 26 HG3 GLU 3 HG3 GLU 3 -4.096 13.658 3.611 27 H THR 4 H THR 4 -7.684 15.321 3.154 28 HA THR 4 HA THR 4 -9.071 13.222 4.648 29 HB THR 4 HB THR 4 -10.497 15.701 3.669 30 HG1 THR 4 HG1 THR 4 -9.149 16.016 5.575 31 HG21 THR 4 HG21 THR 4 -11.891 13.710 3.628 32 HG22 THR 4 HG22 THR 4 -12.391 14.765 4.950 33 HG23 THR 4 HG23 THR 4 -11.427 13.325 5.284 34 H VAL 5 H VAL 5 -9.664 11.637 3.325 35 HA VAL 5 HA VAL 5 -10.063 12.266 0.486 36 HB VAL 5 HB VAL 5 -9.763 9.753 0.146 37 HG11 VAL 5 HG11 VAL 5 -8.086 11.375 -0.525 38 HG12 VAL 5 HG12 VAL 5 -7.312 9.942 0.149 39 HG13 VAL 5 HG13 VAL 5 -7.438 11.412 1.114 40 HG21 VAL 5 HG21 VAL 5 -8.438 8.598 1.850 41 HG22 VAL 5 HG22 VAL 5 -10.020 9.075 2.469 42 HG23 VAL 5 HG23 VAL 5 -8.587 10.002 2.907 43 H LYS 6 H LYS 6 -12.155 12.639 0.184 44 HA LYS 6 HA LYS 6 -14.118 11.035 1.668 45 HB2 LYS 6 HB2 LYS 6 -15.672 12.928 1.106 46 HB3 LYS 6 HB3 LYS 6 -14.340 13.354 2.163 47 HG2 LYS 6 HG2 LYS 6 -13.152 14.185 0.124 48 HG3 LYS 6 HG3 LYS 6 -14.656 13.970 -0.759 49 HD2 LYS 6 HD2 LYS 6 -14.227 15.741 1.644 50 HD3 LYS 6 HD3 LYS 6 -14.417 16.272 -0.021 51 HE2 LYS 6 HE2 LYS 6 -16.672 15.372 -0.074 52 HE3 LYS 6 HE3 LYS 6 -16.480 14.796 1.576 53 HZ1 LYS 6 HZ1 LYS 6 -17.695 16.866 1.527 54 HZ2 LYS 6 HZ2 LYS 6 -16.425 17.631 0.718 55 HZ3 LYS 6 HZ3 LYS 6 -16.209 17.087 2.304 56 H LEU 7 H LEU 7 -16.273 10.803 0.485 57 HA LEU 7 HA LEU 7 -17.214 9.307 -0.949 58 HB2 LEU 7 HB2 LEU 7 -17.478 10.210 -3.269 59 HB3 LEU 7 HB3 LEU 7 -17.967 11.285 -1.980 60 HG LEU 7 HG LEU 7 -15.208 11.718 -2.890 61 HD11 LEU 7 HD11 LEU 7 -15.879 12.844 -4.964 62 HD12 LEU 7 HD12 LEU 7 -17.520 12.233 -4.761 63 HD13 LEU 7 HD13 LEU 7 -16.188 11.110 -5.034 64 HD21 LEU 7 HD21 LEU 7 -15.911 14.033 -2.783 65 HD22 LEU 7 HD22 LEU 7 -16.438 13.182 -1.330 66 HD23 LEU 7 HD23 LEU 7 -17.596 13.541 -2.611 67 H ASN 8 H ASN 8 -15.519 9.918 -3.816 68 HA ASN 8 HA ASN 8 -14.246 7.354 -3.798 69 HB2 ASN 8 HB2 ASN 8 -13.886 9.706 -5.673 70 HB3 ASN 8 HB3 ASN 8 -13.145 8.135 -5.898 71 HD21 ASN 8 HD21 ASN 8 -14.112 7.864 -7.847 72 HD22 ASN 8 HD22 ASN 8 -15.796 7.509 -8.006 73 H HIS 9 H HIS 9 -12.767 7.132 -2.283 74 HA HIS 9 HA HIS 9 -11.124 9.153 -1.250 75 HB2 HIS 9 HB2 HIS 9 -10.530 6.191 -1.205 76 HB3 HIS 9 HB3 HIS 9 -10.009 7.404 -0.041 77 HD1 HIS 9 HD1 HIS 9 -11.862 8.305 1.629 78 HD2 HIS 9 HD2 HIS 9 -13.049 5.139 -0.793 79 HE1 HIS 9 HE1 HIS 9 -13.958 7.396 2.677 80 HE2 HIS 9 HE2 HIS 9 -14.729 5.570 1.125 81 H THR 10 H THR 10 -9.377 10.083 -2.109 82 HA THR 10 HA THR 10 -8.394 9.279 -4.635 83 HB THR 10 HB THR 10 -7.091 11.159 -2.645 84 HG1 THR 10 HG1 THR 10 -8.287 12.657 -4.283 85 HG21 THR 10 HG21 THR 10 -5.635 10.504 -4.507 86 HG22 THR 10 HG22 THR 10 -6.099 12.201 -4.619 87 HG23 THR 10 HG23 THR 10 -6.878 11.004 -5.653 88 H CYS 11 H CYS 11 -6.860 7.897 -5.176 89 HA CYS 11 HA CYS 11 -5.568 6.259 -3.248 90 HB2 CYS 11 HB2 CYS 11 -6.045 5.422 -5.501 91 HB3 CYS 11 HB3 CYS 11 -5.001 6.647 -6.204 92 H VAL 12 H VAL 12 -3.945 6.821 -2.007 93 HA VAL 12 HA VAL 12 -2.351 9.093 -2.206 94 HB VAL 12 HB VAL 12 -0.749 7.927 -0.711 95 HG11 VAL 12 HG11 VAL 12 -2.644 9.011 0.307 96 HG12 VAL 12 HG12 VAL 12 -2.300 7.500 1.156 97 HG13 VAL 12 HG13 VAL 12 -3.649 7.589 0.020 98 HG21 VAL 12 HG21 VAL 12 -2.544 5.543 -1.131 99 HG22 VAL 12 HG22 VAL 12 -1.243 5.650 0.056 100 HG23 VAL 12 HG23 VAL 12 -0.872 5.700 -1.668 101 H ILE 13 H ILE 13 -2.314 6.279 -4.059 102 HA ILE 13 HA ILE 13 0.465 6.507 -4.813 103 HB ILE 13 HB ILE 13 -1.492 4.535 -5.903 104 HG12 ILE 13 HG12 ILE 13 -1.461 4.447 -3.400 105 HG13 ILE 13 HG13 ILE 13 -0.914 2.975 -4.187 106 HG21 ILE 13 HG21 ILE 13 0.513 3.186 -6.249 107 HG22 ILE 13 HG22 ILE 13 1.493 4.505 -5.601 108 HG23 ILE 13 HG23 ILE 13 0.586 4.731 -7.098 109 HD11 ILE 13 HD11 ILE 13 1.330 3.504 -3.745 110 HD12 ILE 13 HD12 ILE 13 0.405 3.670 -2.247 111 HD13 ILE 13 HD13 ILE 13 0.894 5.106 -3.154 112 H CYS 14 H CYS 14 -2.656 6.254 -6.445 113 HA CYS 14 HA CYS 14 -1.521 6.960 -8.989 114 HB2 CYS 14 HB2 CYS 14 -4.341 6.517 -8.143 115 HB3 CYS 14 HB3 CYS 14 -3.868 6.777 -9.792 116 H ASP 15 H ASP 15 -3.017 8.645 -6.406 117 HA ASP 15 HA ASP 15 -3.787 10.752 -6.084 118 HB2 ASP 15 HB2 ASP 15 -1.680 11.213 -7.566 119 HB3 ASP 15 HB3 ASP 15 -2.888 11.643 -8.761 120 H GLN 16 H GLN 16 -5.389 8.741 -7.248 121 HA GLN 16 HA GLN 16 -7.273 10.289 -8.874 122 HB2 GLN 16 HB2 GLN 16 -6.677 7.332 -9.013 123 HB3 GLN 16 HB3 GLN 16 -7.934 8.150 -9.923 124 HG2 GLN 16 HG2 GLN 16 -5.001 8.654 -10.142 125 HG3 GLN 16 HG3 GLN 16 -5.980 7.749 -11.285 126 HE21 GLN 16 HE21 GLN 16 -4.362 10.178 -11.617 127 HE22 GLN 16 HE22 GLN 16 -5.436 11.374 -12.252 128 H GLU 17 H GLU 17 -9.404 10.108 -8.375 129 HA GLU 17 HA GLU 17 -10.039 9.476 -5.656 130 HB2 GLU 17 HB2 GLU 17 -11.688 10.601 -7.916 131 HB3 GLU 17 HB3 GLU 17 -12.259 10.415 -6.261 132 HG2 GLU 17 HG2 GLU 17 -10.744 11.992 -5.436 133 HG3 GLU 17 HG3 GLU 17 -9.793 11.966 -6.917 134 H LYS 18 H LYS 18 -10.177 7.434 -5.260 135 HA LYS 18 HA LYS 18 -11.933 5.729 -6.907 136 HB2 LYS 18 HB2 LYS 18 -9.813 4.501 -5.294 137 HB3 LYS 18 HB3 LYS 18 -10.503 3.970 -6.793 138 HG2 LYS 18 HG2 LYS 18 -8.493 6.160 -6.435 139 HG3 LYS 18 HG3 LYS 18 -8.201 4.557 -7.104 140 HD2 LYS 18 HD2 LYS 18 -10.233 6.327 -8.356 141 HD3 LYS 18 HD3 LYS 18 -8.540 6.603 -8.661 142 HE2 LYS 18 HE2 LYS 18 -9.513 5.257 -10.404 143 HE3 LYS 18 HE3 LYS 18 -8.335 4.355 -9.482 144 HZ1 LYS 18 HZ1 LYS 18 -10.108 3.239 -8.314 145 HZ2 LYS 18 HZ2 LYS 18 -10.318 3.050 -9.979 146 HZ3 LYS 18 HZ3 LYS 18 -11.266 4.162 -9.130 147 H ASN 19 H ASN 19 -13.593 4.741 -5.840 148 HA ASN 19 HA ASN 19 -13.638 5.057 -2.948 149 HB2 ASN 19 HB2 ASN 19 -15.630 5.610 -4.413 150 HB3 ASN 19 HB3 ASN 19 -15.813 3.878 -4.613 151 HD21 ASN 19 HD21 ASN 19 -17.803 3.827 -3.609 152 HD22 ASN 19 HD22 ASN 19 -17.972 4.047 -1.873 153 H ARG 20 H ARG 20 -12.374 2.861 -4.979 154 HA ARG 20 HA ARG 20 -13.031 0.603 -3.214 155 HB2 ARG 20 HB2 ARG 20 -12.553 0.540 -6.192 156 HB3 ARG 20 HB3 ARG 20 -12.648 -0.881 -5.183 157 HG2 ARG 20 HG2 ARG 20 -14.919 -0.359 -4.619 158 HG3 ARG 20 HG3 ARG 20 -14.815 1.145 -5.522 159 HD2 ARG 20 HD2 ARG 20 -14.352 -0.056 -7.540 160 HD3 ARG 20 HD3 ARG 20 -14.402 -1.537 -6.633 161 HE ARG 20 HE ARG 20 -16.834 -0.248 -6.241 162 HH11 ARG 20 HH11 ARG 20 -15.061 -1.766 -8.847 163 HH12 ARG 20 HH12 ARG 20 -16.486 -2.206 -9.733 164 HH21 ARG 20 HH21 ARG 20 -18.712 -0.827 -7.402 165 HH22 ARG 20 HH22 ARG 20 -18.565 -1.670 -8.908 166 H GLY 21 H GLY 21 -11.450 -0.077 -2.071 167 HA2 GLY 21 HA2 GLY 21 -8.986 -0.992 -2.715 168 HA3 GLY 21 HA3 GLY 21 -8.710 0.729 -2.502 169 H ILE 22 H ILE 22 -7.400 0.174 -0.499 170 HA ILE 22 HA ILE 22 -9.206 -0.556 1.699 171 HB ILE 22 HB ILE 22 -7.586 -1.771 2.755 172 HG12 ILE 22 HG12 ILE 22 -5.499 -0.320 1.161 173 HG13 ILE 22 HG13 ILE 22 -5.994 0.115 2.764 174 HG21 ILE 22 HG21 ILE 22 -6.375 -3.147 1.086 175 HG22 ILE 22 HG22 ILE 22 -6.877 -2.008 -0.166 176 HG23 ILE 22 HG23 ILE 22 -8.088 -2.940 0.717 177 HD11 ILE 22 HD11 ILE 22 -4.004 -1.082 3.004 178 HD12 ILE 22 HD12 ILE 22 -4.552 -2.337 1.885 179 HD13 ILE 22 HD13 ILE 22 -5.301 -2.183 3.474 180 H HIS 23 H HIS 23 -7.796 0.069 3.812 181 HA HIS 23 HA HIS 23 -7.154 2.910 3.668 182 HB2 HIS 23 HB2 HIS 23 -9.341 1.794 5.439 183 HB3 HIS 23 HB3 HIS 23 -8.749 3.439 5.475 184 HD1 HIS 23 HD1 HIS 23 -9.532 5.036 3.610 185 HD2 HIS 23 HD2 HIS 23 -11.028 1.180 3.365 186 HE1 HIS 23 HE1 HIS 23 -11.394 5.146 1.923 187 HE2 HIS 23 HE2 HIS 23 -12.270 2.787 1.761 188 H LEU 24 H LEU 24 -5.071 2.645 4.527 189 HA LEU 24 HA LEU 24 -4.883 1.548 7.217 190 HB2 LEU 24 HB2 LEU 24 -2.879 2.715 5.293 191 HB3 LEU 24 HB3 LEU 24 -2.520 2.498 6.948 192 HG LEU 24 HG LEU 24 -1.823 0.434 6.580 193 HD11 LEU 24 HD11 LEU 24 -4.070 -0.392 6.834 194 HD12 LEU 24 HD12 LEU 24 -3.121 -1.325 5.675 195 HD13 LEU 24 HD13 LEU 24 -4.338 -0.177 5.101 196 HD21 LEU 24 HD21 LEU 24 -1.061 1.477 4.554 197 HD22 LEU 24 HD22 LEU 24 -2.531 0.950 3.732 198 HD23 LEU 24 HD23 LEU 24 -1.380 -0.242 4.343 199 H TYR 25 H TYR 25 -4.829 2.967 8.972 200 HA TYR 25 HA TYR 25 -4.771 4.936 10.130 201 HB2 TYR 25 HB2 TYR 25 -3.421 6.134 7.735 202 HB3 TYR 25 HB3 TYR 25 -3.338 6.720 9.378 203 HD1 TYR 25 HD1 TYR 25 -3.029 3.167 8.548 204 HD2 TYR 25 HD2 TYR 25 -0.824 6.702 9.441 205 HE1 TYR 25 HE1 TYR 25 -1.047 1.823 8.840 206 HE2 TYR 25 HE2 TYR 25 1.207 5.341 9.767 207 HH TYR 25 HH TYR 25 1.665 2.954 10.442 208 H THR 26 H THR 26 -4.800 7.363 7.979 209 HA THR 26 HA THR 26 -7.726 7.335 7.757 210 HB THR 26 HB THR 26 -7.146 9.188 9.056 211 HG1 THR 26 HG1 THR 26 -7.630 9.843 6.366 212 HG21 THR 26 HG21 THR 26 -4.727 9.048 8.622 213 HG22 THR 26 HG22 THR 26 -5.332 10.709 8.607 214 HG23 THR 26 HG23 THR 26 -4.975 9.889 7.087 215 H LYS 27 H LYS 27 -5.543 6.153 5.913 216 HA LYS 27 HA LYS 27 -5.797 7.975 3.614 217 HB2 LYS 27 HB2 LYS 27 -3.879 5.757 3.457 218 HB3 LYS 27 HB3 LYS 27 -3.734 7.410 2.896 219 HG2 LYS 27 HG2 LYS 27 -3.447 6.462 5.706 220 HG3 LYS 27 HG3 LYS 27 -2.153 6.930 4.634 221 HD2 LYS 27 HD2 LYS 27 -4.363 8.764 5.483 222 HD3 LYS 27 HD3 LYS 27 -2.786 8.691 6.268 223 HE2 LYS 27 HE2 LYS 27 -2.636 8.969 3.367 224 HE3 LYS 27 HE3 LYS 27 -3.453 10.317 4.155 225 HZ1 LYS 27 HZ1 LYS 27 -0.659 9.522 4.253 226 HZ2 LYS 27 HZ2 LYS 27 -1.319 9.969 5.743 227 HZ3 LYS 27 HZ3 LYS 27 -1.359 11.055 4.448 228 H PHE 28 H PHE 28 -5.160 6.564 1.591 229 HA PHE 28 HA PHE 28 -6.813 4.195 1.396 230 HB2 PHE 28 HB2 PHE 28 -8.450 5.891 0.947 231 HB3 PHE 28 HB3 PHE 28 -7.368 6.722 -0.162 232 HD1 PHE 28 HD1 PHE 28 -7.167 6.068 -2.410 233 HD2 PHE 28 HD2 PHE 28 -9.416 3.695 0.296 234 HE1 PHE 28 HE1 PHE 28 -8.035 4.765 -4.299 235 HE2 PHE 28 HE2 PHE 28 -10.301 2.383 -1.587 236 HZ PHE 28 HZ PHE 28 -9.600 2.910 -3.904 237 H ILE 29 H ILE 29 -5.470 2.782 0.455 238 HA ILE 29 HA ILE 29 -3.991 3.615 -1.953 239 HB ILE 29 HB ILE 29 -4.003 0.911 -0.575 240 HG12 ILE 29 HG12 ILE 29 -1.528 1.584 -0.175 241 HG13 ILE 29 HG13 ILE 29 -2.094 3.229 -0.432 242 HG21 ILE 29 HG21 ILE 29 -2.192 0.335 -2.088 243 HG22 ILE 29 HG22 ILE 29 -2.264 1.940 -2.814 244 HG23 ILE 29 HG23 ILE 29 -3.623 0.822 -3.007 245 HD11 ILE 29 HD11 ILE 29 -1.955 2.587 1.937 246 HD12 ILE 29 HD12 ILE 29 -3.184 1.353 1.645 247 HD13 ILE 29 HD13 ILE 29 -3.582 3.058 1.438 248 H CYS 30 H CYS 30 -4.967 3.229 -3.919 249 HA CYS 30 HA CYS 30 -7.547 2.067 -3.972 250 HB2 CYS 30 HB2 CYS 30 -7.625 2.488 -6.247 251 HB3 CYS 30 HB3 CYS 30 -6.490 3.695 -5.697 252 H LEU 31 H LEU 31 -8.213 0.223 -4.932 253 HA LEU 31 HA LEU 31 -7.131 -2.002 -3.787 254 HB2 LEU 31 HB2 LEU 31 -8.922 -3.103 -4.711 255 HB3 LEU 31 HB3 LEU 31 -9.477 -1.466 -4.643 256 HG LEU 31 HG LEU 31 -8.583 -1.419 -7.139 257 HD11 LEU 31 HD11 LEU 31 -7.733 -3.713 -7.110 258 HD12 LEU 31 HD12 LEU 31 -9.029 -3.520 -8.289 259 HD13 LEU 31 HD13 LEU 31 -9.351 -4.311 -6.747 260 HD21 LEU 31 HD21 LEU 31 -10.847 -0.899 -6.458 261 HD22 LEU 31 HD22 LEU 31 -11.211 -2.616 -6.276 262 HD23 LEU 31 HD23 LEU 31 -10.863 -1.952 -7.872 263 H ASP 32 H ASP 32 -6.199 -0.513 -6.645 264 HA ASP 32 HA ASP 32 -5.296 -2.872 -8.051 265 HB2 ASP 32 HB2 ASP 32 -6.226 -0.792 -9.126 266 HB3 ASP 32 HB3 ASP 32 -4.748 -0.008 -8.653 267 H CYS 33 H CYS 33 -4.009 -0.065 -6.512 268 HA CYS 33 HA CYS 33 -1.274 -0.756 -6.589 269 HB2 CYS 33 HB2 CYS 33 -2.750 1.237 -4.882 270 HB3 CYS 33 HB3 CYS 33 -1.024 1.009 -4.865 271 H GLU 34 H GLU 34 -3.915 -1.258 -4.416 272 HA GLU 34 HA GLU 34 -2.522 -2.145 -2.214 273 HB2 GLU 34 HB2 GLU 34 -4.911 -1.704 -2.147 274 HB3 GLU 34 HB3 GLU 34 -5.213 -3.008 -3.257 275 HG2 GLU 34 HG2 GLU 34 -3.863 -3.685 -0.745 276 HG3 GLU 34 HG3 GLU 34 -5.560 -3.265 -0.667 277 H ARG 35 H ARG 35 -3.660 -3.920 -5.026 278 HA ARG 35 HA ARG 35 -2.306 -6.286 -4.144 279 HB2 ARG 35 HB2 ARG 35 -2.948 -7.349 -6.205 280 HB3 ARG 35 HB3 ARG 35 -4.321 -6.455 -5.577 281 HG2 ARG 35 HG2 ARG 35 -3.814 -4.640 -7.178 282 HG3 ARG 35 HG3 ARG 35 -2.537 -5.645 -7.845 283 HD2 ARG 35 HD2 ARG 35 -5.439 -6.300 -7.762 284 HD3 ARG 35 HD3 ARG 35 -4.523 -5.843 -9.186 285 HE ARG 35 HE ARG 35 -3.206 -8.024 -8.285 286 HH11 ARG 35 HH11 ARG 35 -6.567 -7.396 -9.021 287 HH12 ARG 35 HH12 ARG 35 -6.914 -9.038 -9.452 288 HH21 ARG 35 HH21 ARG 35 -3.658 -10.199 -8.856 289 HH22 ARG 35 HH22 ARG 35 -5.259 -10.632 -9.359 290 H LYS 36 H LYS 36 -1.367 -3.544 -5.961 291 HA LYS 36 HA LYS 36 0.679 -4.577 -7.545 292 HB2 LYS 36 HB2 LYS 36 0.299 -1.907 -6.219 293 HB3 LYS 36 HB3 LYS 36 1.609 -2.247 -7.306 294 HG2 LYS 36 HG2 LYS 36 -0.183 -2.768 -9.012 295 HG3 LYS 36 HG3 LYS 36 -1.309 -2.093 -7.905 296 HD2 LYS 36 HD2 LYS 36 -0.348 -0.056 -8.087 297 HD3 LYS 36 HD3 LYS 36 1.131 -0.639 -8.797 298 HE2 LYS 36 HE2 LYS 36 -1.578 -0.755 -10.104 299 HE3 LYS 36 HE3 LYS 36 -0.411 0.532 -10.367 300 HZ1 LYS 36 HZ1 LYS 36 0.032 -2.340 -10.958 301 HZ2 LYS 36 HZ2 LYS 36 1.149 -1.100 -11.223 302 HZ3 LYS 36 HZ3 LYS 36 -0.295 -1.140 -12.102 303 H VAL 37 H VAL 37 0.461 -3.338 -4.327 304 HA VAL 37 HA VAL 37 3.119 -3.185 -3.698 305 HB VAL 37 HB VAL 37 2.454 -3.215 -1.363 306 HG11 VAL 37 HG11 VAL 37 0.328 -1.670 -2.808 307 HG12 VAL 37 HG12 VAL 37 2.027 -1.214 -2.943 308 HG13 VAL 37 HG13 VAL 37 1.237 -1.208 -1.365 309 HG21 VAL 37 HG21 VAL 37 -0.055 -4.322 -2.466 310 HG22 VAL 37 HG22 VAL 37 -0.117 -3.308 -1.023 311 HG23 VAL 37 HG23 VAL 37 0.855 -4.780 -1.021 312 H ILE 38 H ILE 38 0.886 -5.788 -3.121 313 HA ILE 38 HA ILE 38 2.503 -7.539 -1.682 314 HB ILE 38 HB ILE 38 0.407 -8.521 -3.596 315 HG12 ILE 38 HG12 ILE 38 -0.071 -6.897 -1.109 316 HG13 ILE 38 HG13 ILE 38 -0.734 -6.658 -2.708 317 HG21 ILE 38 HG21 ILE 38 1.562 -10.194 -2.330 318 HG22 ILE 38 HG22 ILE 38 -0.097 -10.069 -1.743 319 HG23 ILE 38 HG23 ILE 38 1.220 -9.342 -0.826 320 HD11 ILE 38 HD11 ILE 38 -2.307 -8.315 -2.452 321 HD12 ILE 38 HD12 ILE 38 -2.221 -7.625 -0.825 322 HD13 ILE 38 HD13 ILE 38 -1.388 -9.135 -1.193 323 H SER 39 H SER 39 2.130 -6.811 -5.028 324 HA SER 39 HA SER 39 3.488 -9.131 -5.873 325 HB2 SER 39 HB2 SER 39 2.590 -6.733 -7.461 326 HB3 SER 39 HB3 SER 39 2.993 -8.315 -8.086 327 HG SER 39 HG SER 39 0.767 -7.570 -6.518 328 H THR 40 H THR 40 4.159 -5.787 -5.306 329 HA THR 40 HA THR 40 6.615 -5.702 -6.810 330 HB THR 40 HB THR 40 5.394 -3.712 -4.893 331 HG1 THR 40 HG1 THR 40 4.189 -4.232 -6.861 332 HG21 THR 40 HG21 THR 40 6.860 -2.062 -5.908 333 HG22 THR 40 HG22 THR 40 7.571 -3.301 -6.942 334 HG23 THR 40 HG23 THR 40 7.811 -3.365 -5.196 335 H SER 41 H SER 41 5.677 -5.899 -3.402 336 HA SER 41 HA SER 41 8.230 -5.410 -2.321 337 HB2 SER 41 HB2 SER 41 6.107 -5.166 -1.090 338 HB3 SER 41 HB3 SER 41 6.000 -6.910 -1.082 339 HG SER 41 HG SER 41 6.966 -5.806 0.828 340 H THR 42 H THR 42 6.704 -8.276 -3.504 341 HA THR 42 HA THR 42 8.360 -10.079 -2.007 342 HB THR 42 HB THR 42 7.165 -11.804 -3.455 343 HG1 THR 42 HG1 THR 42 5.141 -10.128 -4.111 344 HG21 THR 42 HG21 THR 42 6.451 -11.210 -1.185 345 HG22 THR 42 HG22 THR 42 5.061 -11.516 -2.226 346 HG23 THR 42 HG23 THR 42 5.518 -9.857 -1.830 347 H SER 43 H SER 43 9.934 -8.377 -3.551 348 HA SER 43 HA SER 43 11.579 -10.252 -4.907 349 HB2 SER 43 HB2 SER 43 11.508 -8.952 -7.122 350 HB3 SER 43 HB3 SER 43 10.158 -10.034 -6.784 351 HG SER 43 HG SER 43 10.057 -7.303 -6.064 352 H ASP 44 H ASP 44 13.171 -9.522 -3.549 353 HA ASP 44 HA ASP 44 14.356 -6.970 -4.329 354 HB2 ASP 44 HB2 ASP 44 14.762 -6.244 -2.075 355 HB3 ASP 44 HB3 ASP 44 13.044 -6.598 -2.207 356 HA PRO 45 HA PRO 45 17.960 -9.493 -4.604 357 HB2 PRO 45 HB2 PRO 45 19.562 -7.178 -3.743 358 HB3 PRO 45 HB3 PRO 45 19.615 -8.081 -5.257 359 HG2 PRO 45 HG2 PRO 45 18.588 -5.582 -5.068 360 HG3 PRO 45 HG3 PRO 45 18.013 -6.771 -6.236 361 HD2 PRO 45 HD2 PRO 45 16.763 -5.833 -3.743 362 HD3 PRO 45 HD3 PRO 45 16.009 -6.395 -5.238 363 H ASP 46 H ASP 46 19.051 -7.204 -2.161 364 HA ASP 46 HA ASP 46 18.513 -8.581 0.174 365 HB2 ASP 46 HB2 ASP 46 19.945 -10.388 -0.773 366 HB3 ASP 46 HB3 ASP 46 21.281 -9.245 -0.866 367 H TYR 47 H TYR 47 21.253 -7.014 -1.440 368 HA TYR 47 HA TYR 47 21.485 -5.147 0.794 369 HB2 TYR 47 HB2 TYR 47 23.311 -5.679 -1.531 370 HB3 TYR 47 HB3 TYR 47 23.606 -4.459 -0.304 371 HD1 TYR 47 HD1 TYR 47 24.007 -5.185 2.059 372 HD2 TYR 47 HD2 TYR 47 23.871 -7.951 -1.169 373 HE1 TYR 47 HE1 TYR 47 25.158 -6.854 3.447 374 HE2 TYR 47 HE2 TYR 47 25.018 -9.630 0.212 375 HH TYR 47 HH TYR 47 25.376 -9.327 3.554 376 H ALA 48 H ALA 48 20.610 -3.225 0.645 377 HA ALA 48 HA ALA 48 19.731 -1.289 -0.135 378 HB1 ALA 48 HB1 ALA 48 21.923 -0.969 -1.156 379 HB2 ALA 48 HB2 ALA 48 20.647 -0.317 -2.184 380 HB3 ALA 48 HB3 ALA 48 21.399 -1.861 -2.582 381 H1 SER 0 H1 SER 0 2.551 22.273 -8.590 382 H2 SER 0 H2 SER 0 1.119 21.958 -7.751 383 H3 SER 0 H3 SER 0 1.231 23.315 -8.755 384 HA SER 0 HA SER 0 -0.047 21.610 -9.820 385 HB2 SER 0 HB2 SER 0 1.407 21.374 -11.889 386 HB3 SER 0 HB3 SER 0 1.173 23.022 -11.307 387 HG SER 0 HG SER 0 3.351 22.684 -11.769 388 H MET 1 H MET 1 3.335 20.439 -9.831 389 HA MET 1 HA MET 1 2.354 17.813 -8.987 390 HB2 MET 1 HB2 MET 1 2.483 17.882 -11.495 391 HB3 MET 1 HB3 MET 1 4.209 18.170 -11.348 392 HG2 MET 1 HG2 MET 1 4.457 16.021 -10.192 393 HG3 MET 1 HG3 MET 1 2.732 15.728 -10.389 394 HE1 MET 1 HE1 MET 1 1.553 15.300 -12.701 395 HE2 MET 1 HE2 MET 1 2.378 15.359 -14.257 396 HE3 MET 1 HE3 MET 1 2.165 16.834 -13.315 397 H ASP 2 H ASP 2 3.561 19.444 -7.261 398 HA ASP 2 HA ASP 2 6.380 18.726 -7.143 399 HB2 ASP 2 HB2 ASP 2 5.740 20.983 -6.405 400 HB3 ASP 2 HB3 ASP 2 4.682 20.287 -5.180 401 H GLU 3 H GLU 3 6.823 16.728 -6.521 402 HA GLU 3 HA GLU 3 5.799 15.640 -4.078 403 HB2 GLU 3 HB2 GLU 3 3.883 15.277 -5.584 404 HB3 GLU 3 HB3 GLU 3 4.927 14.413 -6.701 405 HG2 GLU 3 HG2 GLU 3 5.309 12.696 -5.011 406 HG3 GLU 3 HG3 GLU 3 4.251 13.564 -3.898 407 H THR 4 H THR 4 7.867 15.169 -3.455 408 HA THR 4 HA THR 4 9.214 13.035 -4.943 409 HB THR 4 HB THR 4 10.687 15.492 -3.976 410 HG1 THR 4 HG1 THR 4 9.337 15.831 -5.876 411 HG21 THR 4 HG21 THR 4 12.043 13.475 -3.933 412 HG22 THR 4 HG22 THR 4 12.561 14.516 -5.259 413 HG23 THR 4 HG23 THR 4 11.568 13.095 -5.588 414 H VAL 5 H VAL 5 9.775 11.445 -3.611 415 HA VAL 5 HA VAL 5 10.197 12.073 -0.778 416 HB VAL 5 HB VAL 5 9.851 9.569 -0.430 417 HG11 VAL 5 HG11 VAL 5 8.204 11.224 0.238 418 HG12 VAL 5 HG12 VAL 5 7.402 9.802 -0.429 419 HG13 VAL 5 HG13 VAL 5 7.553 11.266 -1.400 420 HG21 VAL 5 HG21 VAL 5 8.501 8.431 -2.130 421 HG22 VAL 5 HG22 VAL 5 10.090 8.877 -2.752 422 HG23 VAL 5 HG23 VAL 5 8.673 9.829 -3.191 423 H LYS 6 H LYS 6 12.296 12.410 -0.480 424 HA LYS 6 HA LYS 6 14.226 10.765 -1.960 425 HB2 LYS 6 HB2 LYS 6 15.817 12.631 -1.413 426 HB3 LYS 6 HB3 LYS 6 14.489 13.076 -2.469 427 HG2 LYS 6 HG2 LYS 6 13.321 13.937 -0.432 428 HG3 LYS 6 HG3 LYS 6 14.823 13.700 0.449 429 HD2 LYS 6 HD2 LYS 6 14.422 15.468 -1.963 430 HD3 LYS 6 HD3 LYS 6 14.623 16.003 -0.300 431 HE2 LYS 6 HE2 LYS 6 16.861 15.065 -0.246 432 HE3 LYS 6 HE3 LYS 6 16.656 14.482 -1.892 433 HZ1 LYS 6 HZ1 LYS 6 17.906 16.529 -1.861 434 HZ2 LYS 6 HZ2 LYS 6 16.654 17.322 -1.049 435 HZ3 LYS 6 HZ3 LYS 6 16.421 16.773 -2.632 436 H LEU 7 H LEU 7 16.379 10.497 -0.788 437 HA LEU 7 HA LEU 7 17.295 8.989 0.650 438 HB2 LEU 7 HB2 LEU 7 17.579 9.895 2.968 439 HB3 LEU 7 HB3 LEU 7 18.085 10.956 1.673 440 HG LEU 7 HG LEU 7 15.336 11.444 2.586 441 HD11 LEU 7 HD11 LEU 7 16.030 12.565 4.657 442 HD12 LEU 7 HD12 LEU 7 17.659 11.924 4.452 443 HD13 LEU 7 HD13 LEU 7 16.309 10.825 4.732 444 HD21 LEU 7 HD21 LEU 7 16.084 13.744 2.471 445 HD22 LEU 7 HD22 LEU 7 16.592 12.879 1.021 446 HD23 LEU 7 HD23 LEU 7 17.759 13.220 2.298 447 H ASN 8 H ASN 8 15.618 9.642 3.520 448 HA ASN 8 HA ASN 8 14.296 7.104 3.512 449 HB2 ASN 8 HB2 ASN 8 13.983 9.467 5.380 450 HB3 ASN 8 HB3 ASN 8 13.214 7.910 5.610 451 HD21 ASN 8 HD21 ASN 8 14.186 7.632 7.561 452 HD22 ASN 8 HD22 ASN 8 15.863 7.238 7.714 453 H HIS 9 H HIS 9 12.810 6.901 2.001 454 HA HIS 9 HA HIS 9 11.200 8.948 0.962 455 HB2 HIS 9 HB2 HIS 9 10.553 5.996 0.931 456 HB3 HIS 9 HB3 HIS 9 10.055 7.213 -0.237 457 HD1 HIS 9 HD1 HIS 9 11.919 8.070 -1.916 458 HD2 HIS 9 HD2 HIS 9 13.052 4.891 0.516 459 HE1 HIS 9 HE1 HIS 9 13.996 7.121 -2.960 460 HE2 HIS 9 HE2 HIS 9 14.726 5.273 -1.415 461 H THR 10 H THR 10 9.473 9.911 1.822 462 HA THR 10 HA THR 10 8.484 9.136 4.353 463 HB THR 10 HB THR 10 7.211 11.036 2.359 464 HG1 THR 10 HG1 THR 10 8.433 12.523 3.977 465 HG21 THR 10 HG21 THR 10 5.747 10.412 4.225 466 HG22 THR 10 HG22 THR 10 6.243 12.100 4.333 467 HG23 THR 10 HG23 THR 10 7.001 10.891 5.370 468 H CYS 11 H CYS 11 6.924 7.786 4.904 469 HA CYS 11 HA CYS 11 5.600 6.161 2.986 470 HB2 CYS 11 HB2 CYS 11 6.065 5.323 5.243 471 HB3 CYS 11 HB3 CYS 11 5.047 6.571 5.942 472 H VAL 12 H VAL 12 3.987 6.756 1.741 473 HA VAL 12 HA VAL 12 2.435 9.054 1.937 474 HB VAL 12 HB VAL 12 0.807 7.913 0.451 475 HG11 VAL 12 HG11 VAL 12 2.719 8.957 -0.574 476 HG12 VAL 12 HG12 VAL 12 2.348 7.450 -1.417 477 HG13 VAL 12 HG13 VAL 12 3.699 7.519 -0.285 478 HG21 VAL 12 HG21 VAL 12 2.560 5.497 0.876 479 HG22 VAL 12 HG22 VAL 12 1.258 5.625 -0.308 480 HG23 VAL 12 HG23 VAL 12 0.891 5.686 1.416 481 H ILE 13 H ILE 13 2.344 6.245 3.798 482 HA ILE 13 HA ILE 13 -0.432 6.531 4.562 483 HB ILE 13 HB ILE 13 1.496 4.526 5.653 484 HG12 ILE 13 HG12 ILE 13 1.458 4.429 3.150 485 HG13 ILE 13 HG13 ILE 13 0.886 2.970 3.944 486 HG21 ILE 13 HG21 ILE 13 -0.531 3.213 6.008 487 HG22 ILE 13 HG22 ILE 13 -1.488 4.548 5.359 488 HG23 ILE 13 HG23 ILE 13 -0.575 4.761 6.853 489 HD11 ILE 13 HD11 ILE 13 -1.348 3.538 3.504 490 HD12 ILE 13 HD12 ILE 13 -0.423 3.682 2.004 491 HD13 ILE 13 HD13 ILE 13 -0.886 5.128 2.906 492 H CYS 14 H CYS 14 2.691 6.219 6.186 493 HA CYS 14 HA CYS 14 1.580 6.954 8.733 494 HB2 CYS 14 HB2 CYS 14 4.385 6.461 7.880 495 HB3 CYS 14 HB3 CYS 14 3.928 6.734 9.527 496 H ASP 15 H ASP 15 3.099 8.608 6.138 497 HA ASP 15 HA ASP 15 3.910 10.697 5.806 498 HB2 ASP 15 HB2 ASP 15 1.816 11.206 7.288 499 HB3 ASP 15 HB3 ASP 15 3.032 11.613 8.481 500 H GLN 16 H GLN 16 5.474 8.663 6.977 501 HA GLN 16 HA GLN 16 7.390 10.181 8.595 502 HB2 GLN 16 HB2 GLN 16 6.741 7.234 8.745 503 HB3 GLN 16 HB3 GLN 16 8.012 8.034 9.648 504 HG2 GLN 16 HG2 GLN 16 5.091 8.592 9.873 505 HG3 GLN 16 HG3 GLN 16 6.058 7.676 11.019 506 HE21 GLN 16 HE21 GLN 16 4.485 10.126 11.354 507 HE22 GLN 16 HE22 GLN 16 5.582 11.313 11.970 508 H GLU 17 H GLU 17 9.519 9.954 8.094 509 HA GLU 17 HA GLU 17 10.133 9.305 5.373 510 HB2 GLU 17 HB2 GLU 17 11.809 10.409 7.623 511 HB3 GLU 17 HB3 GLU 17 12.371 10.207 5.968 512 HG2 GLU 17 HG2 GLU 17 10.884 11.810 5.143 513 HG3 GLU 17 HG3 GLU 17 9.933 11.802 6.624 514 H LYS 18 H LYS 18 10.234 7.262 4.980 515 HA LYS 18 HA LYS 18 11.958 5.528 6.629 516 HB2 LYS 18 HB2 LYS 18 9.811 4.335 5.028 517 HB3 LYS 18 HB3 LYS 18 10.494 3.796 6.526 518 HG2 LYS 18 HG2 LYS 18 8.525 6.022 6.168 519 HG3 LYS 18 HG3 LYS 18 8.202 4.427 6.843 520 HD2 LYS 18 HD2 LYS 18 10.273 6.160 8.082 521 HD3 LYS 18 HD3 LYS 18 8.587 6.470 8.392 522 HE2 LYS 18 HE2 LYS 18 9.537 5.111 10.137 523 HE3 LYS 18 HE3 LYS 18 8.344 4.227 9.219 524 HZ1 LYS 18 HZ1 LYS 18 10.095 3.078 8.048 525 HZ2 LYS 18 HZ2 LYS 18 10.312 2.889 9.712 526 HZ3 LYS 18 HZ3 LYS 18 11.273 3.983 8.856 527 H ASN 19 H ASN 19 13.594 4.495 5.563 528 HA ASN 19 HA ASN 19 13.645 4.814 2.670 529 HB2 ASN 19 HB2 ASN 19 15.650 5.337 4.127 530 HB3 ASN 19 HB3 ASN 19 15.803 3.604 4.336 531 HD21 ASN 19 HD21 ASN 19 17.787 3.504 3.329 532 HD22 ASN 19 HD22 ASN 19 17.961 3.716 1.592 533 H ARG 20 H ARG 20 12.342 2.649 4.704 534 HA ARG 20 HA ARG 20 12.974 0.359 2.970 535 HB2 ARG 20 HB2 ARG 20 12.495 0.421 5.935 536 HB3 ARG 20 HB3 ARG 20 12.532 -1.059 5.019 537 HG2 ARG 20 HG2 ARG 20 14.798 -0.626 4.352 538 HG3 ARG 20 HG3 ARG 20 14.778 0.885 5.252 539 HD2 ARG 20 HD2 ARG 20 14.224 -0.384 7.216 540 HD3 ARG 20 HD3 ARG 20 14.349 -1.870 6.329 541 HE ARG 20 HE ARG 20 16.749 -0.501 5.994 542 HH11 ARG 20 HH11 ARG 20 14.957 -2.012 8.599 543 HH12 ARG 20 HH12 ARG 20 16.380 -2.480 9.475 544 HH21 ARG 20 HH21 ARG 20 18.619 -1.138 7.137 545 HH22 ARG 20 HH22 ARG 20 18.462 -1.976 8.646 546 H GLY 21 H GLY 21 11.363 -0.285 1.811 547 HA2 GLY 21 HA2 GLY 21 8.883 -1.152 2.468 548 HA3 GLY 21 HA3 GLY 21 8.642 0.575 2.250 549 H ILE 22 H ILE 22 7.312 0.037 0.254 550 HA ILE 22 HA ILE 22 9.099 -0.733 -1.946 551 HB ILE 22 HB ILE 22 7.455 -1.922 -2.995 552 HG12 ILE 22 HG12 ILE 22 5.400 -0.428 -1.402 553 HG13 ILE 22 HG13 ILE 22 5.899 -0.007 -3.007 554 HG21 ILE 22 HG21 ILE 22 6.224 -3.270 -1.319 555 HG22 ILE 22 HG22 ILE 22 6.750 -2.136 -0.071 556 HG23 ILE 22 HG23 ILE 22 7.941 -3.094 -0.955 557 HD11 ILE 22 HD11 ILE 22 3.887 -1.167 -3.240 558 HD12 ILE 22 HD12 ILE 22 4.414 -2.429 -2.118 559 HD13 ILE 22 HD13 ILE 22 5.162 -2.294 -3.708 560 H HIS 23 H HIS 23 7.699 -0.091 -4.056 561 HA HIS 23 HA HIS 23 7.108 2.764 -3.925 562 HB2 HIS 23 HB2 HIS 23 9.274 1.600 -5.691 563 HB3 HIS 23 HB3 HIS 23 8.712 3.256 -5.735 564 HD1 HIS 23 HD1 HIS 23 9.528 4.844 -3.881 565 HD2 HIS 23 HD2 HIS 23 10.952 0.966 -3.616 566 HE1 HIS 23 HE1 HIS 23 11.395 4.930 -2.196 567 HE2 HIS 23 HE2 HIS 23 12.230 2.559 -2.022 568 H LEU 24 H LEU 24 5.022 2.530 -4.778 569 HA LEU 24 HA LEU 24 4.807 1.432 -7.467 570 HB2 LEU 24 HB2 LEU 24 2.829 2.640 -5.540 571 HB3 LEU 24 HB3 LEU 24 2.461 2.425 -7.192 572 HG LEU 24 HG LEU 24 1.730 0.373 -6.816 573 HD11 LEU 24 HD11 LEU 24 3.962 -0.492 -7.072 574 HD12 LEU 24 HD12 LEU 24 3.001 -1.406 -5.908 575 HD13 LEU 24 HD13 LEU 24 4.237 -0.276 -5.341 576 HD21 LEU 24 HD21 LEU 24 0.990 1.438 -4.793 577 HD22 LEU 24 HD22 LEU 24 2.451 0.886 -3.971 578 HD23 LEU 24 HD23 LEU 24 1.277 -0.286 -4.576 579 H TYR 25 H TYR 25 4.783 2.848 -9.223 580 HA TYR 25 HA TYR 25 4.745 4.810 -10.388 581 HB2 TYR 25 HB2 TYR 25 3.428 6.039 -7.991 582 HB3 TYR 25 HB3 TYR 25 3.350 6.623 -9.635 583 HD1 TYR 25 HD1 TYR 25 2.977 3.076 -8.792 584 HD2 TYR 25 HD2 TYR 25 0.843 6.649 -9.698 585 HE1 TYR 25 HE1 TYR 25 0.968 1.768 -9.075 586 HE2 TYR 25 HE2 TYR 25 -1.213 5.325 -10.014 587 HH TYR 25 HH TYR 25 -1.717 2.933 -10.690 588 H THR 26 H THR 26 4.826 7.241 -8.241 589 HA THR 26 HA THR 26 7.750 7.164 -8.032 590 HB THR 26 HB THR 26 7.206 9.026 -9.336 591 HG1 THR 26 HG1 THR 26 7.697 9.673 -6.646 592 HG21 THR 26 HG21 THR 26 4.782 8.932 -8.899 593 HG22 THR 26 HG22 THR 26 5.419 10.583 -8.892 594 HG23 THR 26 HG23 THR 26 5.050 9.772 -7.368 595 H LYS 27 H LYS 27 5.553 6.028 -6.177 596 HA LYS 27 HA LYS 27 5.847 7.853 -3.884 597 HB2 LYS 27 HB2 LYS 27 3.887 5.670 -3.715 598 HB3 LYS 27 HB3 LYS 27 3.774 7.327 -3.160 599 HG2 LYS 27 HG2 LYS 27 3.468 6.375 -5.966 600 HG3 LYS 27 HG3 LYS 27 2.187 6.870 -4.894 601 HD2 LYS 27 HD2 LYS 27 4.427 8.660 -5.749 602 HD3 LYS 27 HD3 LYS 27 2.847 8.612 -6.531 603 HE2 LYS 27 HE2 LYS 27 2.706 8.904 -3.631 604 HE3 LYS 27 HE3 LYS 27 3.544 10.235 -4.426 605 HZ1 LYS 27 HZ1 LYS 27 0.738 9.488 -4.510 606 HZ2 LYS 27 HZ2 LYS 27 1.400 9.912 -6.007 607 HZ3 LYS 27 HZ3 LYS 27 1.463 11.008 -4.719 608 H PHE 28 H PHE 28 5.186 6.461 -1.856 609 HA PHE 28 HA PHE 28 6.796 4.061 -1.655 610 HB2 PHE 28 HB2 PHE 28 8.465 5.729 -1.216 611 HB3 PHE 28 HB3 PHE 28 7.401 6.584 -0.107 612 HD1 PHE 28 HD1 PHE 28 7.195 5.941 2.143 613 HD2 PHE 28 HD2 PHE 28 9.392 3.516 -0.560 614 HE1 PHE 28 HE1 PHE 28 8.042 4.630 4.034 615 HE2 PHE 28 HE2 PHE 28 10.256 2.196 1.326 616 HZ PHE 28 HZ PHE 28 9.571 2.745 3.643 617 H ILE 29 H ILE 29 5.428 2.677 -0.706 618 HA ILE 29 HA ILE 29 3.970 3.545 1.702 619 HB ILE 29 HB ILE 29 3.931 0.835 0.333 620 HG12 ILE 29 HG12 ILE 29 1.468 1.554 -0.065 621 HG13 ILE 29 HG13 ILE 29 2.065 3.188 0.185 622 HG21 ILE 29 HG21 ILE 29 2.112 0.299 1.853 623 HG22 ILE 29 HG22 ILE 29 2.215 1.904 2.573 624 HG23 ILE 29 HG23 ILE 29 3.554 0.763 2.768 625 HD11 ILE 29 HD11 ILE 29 1.909 2.542 -2.182 626 HD12 ILE 29 HD12 ILE 29 3.116 1.284 -1.889 627 HD13 ILE 29 HD13 ILE 29 3.546 2.983 -1.688 628 H CYS 30 H CYS 30 4.943 3.147 3.667 629 HA CYS 30 HA CYS 30 7.502 1.938 3.715 630 HB2 CYS 30 HB2 CYS 30 7.598 2.371 5.988 631 HB3 CYS 30 HB3 CYS 30 6.483 3.595 5.437 632 H LEU 31 H LEU 31 8.138 0.085 4.686 633 HA LEU 31 HA LEU 31 7.012 -2.122 3.546 634 HB2 LEU 31 HB2 LEU 31 8.785 -3.254 4.472 635 HB3 LEU 31 HB3 LEU 31 9.371 -1.627 4.395 636 HG LEU 31 HG LEU 31 8.482 -1.552 6.892 637 HD11 LEU 31 HD11 LEU 31 7.587 -3.829 6.874 638 HD12 LEU 31 HD12 LEU 31 8.889 -3.656 8.051 639 HD13 LEU 31 HD13 LEU 31 9.194 -4.460 6.511 640 HD21 LEU 31 HD21 LEU 31 10.753 -1.079 6.207 641 HD22 LEU 31 HD22 LEU 31 11.085 -2.802 6.029 642 HD23 LEU 31 HD23 LEU 31 10.752 -2.127 7.624 643 H ASP 32 H ASP 32 6.115 -0.608 6.400 644 HA ASP 32 HA ASP 32 5.175 -2.947 7.814 645 HB2 ASP 32 HB2 ASP 32 6.149 -0.888 8.885 646 HB3 ASP 32 HB3 ASP 32 4.693 -0.074 8.412 647 H CYS 33 H CYS 33 3.931 -0.118 6.275 648 HA CYS 33 HA CYS 33 1.183 -0.762 6.356 649 HB2 CYS 33 HB2 CYS 33 2.689 1.200 4.641 650 HB3 CYS 33 HB3 CYS 33 0.963 0.999 4.624 651 H GLU 34 H GLU 34 3.812 -1.317 4.181 652 HA GLU 34 HA GLU 34 2.398 -2.185 1.986 653 HB2 GLU 34 HB2 GLU 34 4.793 -1.791 1.911 654 HB3 GLU 34 HB3 GLU 34 5.073 -3.096 3.026 655 HG2 GLU 34 HG2 GLU 34 3.704 -3.757 0.520 656 HG3 GLU 34 HG3 GLU 34 5.411 -3.371 0.436 657 H ARG 35 H ARG 35 3.508 -3.974 4.799 658 HA ARG 35 HA ARG 35 2.109 -6.318 3.930 659 HB2 ARG 35 HB2 ARG 35 2.738 -7.384 5.994 660 HB3 ARG 35 HB3 ARG 35 4.125 -6.518 5.360 661 HG2 ARG 35 HG2 ARG 35 3.654 -4.688 6.955 662 HG3 ARG 35 HG3 ARG 35 2.361 -5.666 7.630 663 HD2 ARG 35 HD2 ARG 35 5.251 -6.376 7.541 664 HD3 ARG 35 HD3 ARG 35 4.350 -5.895 8.966 665 HE ARG 35 HE ARG 35 2.986 -8.053 8.080 666 HH11 ARG 35 HH11 ARG 35 6.363 -7.493 8.795 667 HH12 ARG 35 HH12 ARG 35 6.681 -9.142 9.229 668 HH21 ARG 35 HH21 ARG 35 3.392 -10.229 8.656 669 HH22 ARG 35 HH22 ARG 35 4.988 -10.701 9.150 670 H LYS 36 H LYS 36 1.225 -3.552 5.739 671 HA LYS 36 HA LYS 36 -0.837 -4.541 7.332 672 HB2 LYS 36 HB2 LYS 36 -0.409 -1.881 5.995 673 HB3 LYS 36 HB3 LYS 36 -1.723 -2.195 7.086 674 HG2 LYS 36 HG2 LYS 36 0.061 -2.743 8.793 675 HG3 LYS 36 HG3 LYS 36 1.198 -2.093 7.681 676 HD2 LYS 36 HD2 LYS 36 0.276 -0.037 7.854 677 HD3 LYS 36 HD3 LYS 36 -1.212 -0.589 8.571 678 HE2 LYS 36 HE2 LYS 36 1.496 -0.750 9.873 679 HE3 LYS 36 HE3 LYS 36 0.355 0.558 10.134 680 HZ1 LYS 36 HZ1 LYS 36 -0.146 -2.302 10.731 681 HZ2 LYS 36 HZ2 LYS 36 -1.233 -1.040 11.003 682 HZ3 LYS 36 HZ3 LYS 36 0.215 -1.111 11.873 683 H VAL 37 H VAL 37 -0.602 -3.318 4.108 684 HA VAL 37 HA VAL 37 -3.258 -3.117 3.485 685 HB VAL 37 HB VAL 37 -2.600 -3.167 1.148 686 HG11 VAL 37 HG11 VAL 37 -0.441 -1.659 2.584 687 HG12 VAL 37 HG12 VAL 37 -2.133 -1.169 2.721 688 HG13 VAL 37 HG13 VAL 37 -1.346 -1.183 1.141 689 HG21 VAL 37 HG21 VAL 37 -0.107 -4.317 2.249 690 HG22 VAL 37 HG22 VAL 37 -0.032 -3.309 0.803 691 HG23 VAL 37 HG23 VAL 37 -1.031 -4.764 0.808 692 H ILE 38 H ILE 38 -1.076 -5.763 2.912 693 HA ILE 38 HA ILE 38 -2.728 -7.489 1.480 694 HB ILE 38 HB ILE 38 -0.646 -8.504 3.393 695 HG12 ILE 38 HG12 ILE 38 -0.142 -6.896 0.900 696 HG13 ILE 38 HG13 ILE 38 0.528 -6.664 2.497 697 HG21 ILE 38 HG21 ILE 38 -1.834 -10.156 2.133 698 HG22 ILE 38 HG22 ILE 38 -0.175 -10.063 1.542 699 HG23 ILE 38 HG23 ILE 38 -1.480 -9.316 0.627 700 HD11 ILE 38 HD11 ILE 38 2.068 -8.351 2.245 701 HD12 ILE 38 HD12 ILE 38 1.994 -7.665 0.617 702 HD13 ILE 38 HD13 ILE 38 1.133 -9.158 0.992 703 H SER 39 H SER 39 -2.333 -6.759 4.822 704 HA SER 39 HA SER 39 -3.732 -9.050 5.678 705 HB2 SER 39 HB2 SER 39 -2.787 -6.664 7.259 706 HB3 SER 39 HB3 SER 39 -3.212 -8.240 7.888 707 HG SER 39 HG SER 39 -0.988 -7.537 6.299 708 H THR 40 H THR 40 -4.343 -5.696 5.102 709 HA THR 40 HA THR 40 -6.794 -5.562 6.609 710 HB THR 40 HB THR 40 -5.537 -3.599 4.690 711 HG1 THR 40 HG1 THR 40 -4.339 -4.131 6.652 712 HG21 THR 40 HG21 THR 40 -6.974 -1.922 5.697 713 HG22 THR 40 HG22 THR 40 -7.705 -3.143 6.739 714 HG23 THR 40 HG23 THR 40 -7.951 -3.210 4.994 715 H SER 41 H SER 41 -5.866 -5.787 3.202 716 HA SER 41 HA SER 41 -8.411 -5.252 2.122 717 HB2 SER 41 HB2 SER 41 -6.288 -5.052 0.885 718 HB3 SER 41 HB3 SER 41 -6.207 -6.798 0.888 719 HG SER 41 HG SER 41 -7.170 -5.671 -1.026 720 H THR 42 H THR 42 -6.937 -8.140 3.314 721 HA THR 42 HA THR 42 -8.631 -9.918 1.830 722 HB THR 42 HB THR 42 -7.462 -11.662 3.275 723 HG1 THR 42 HG1 THR 42 -5.407 -10.010 3.911 724 HG21 THR 42 HG21 THR 42 -6.742 -11.092 1.003 725 HG22 THR 42 HG22 THR 42 -5.355 -11.418 2.042 726 HG23 THR 42 HG23 THR 42 -5.783 -9.754 1.640 727 H SER 43 H SER 43 -10.169 -8.186 3.366 728 HA SER 43 HA SER 43 -11.844 -10.025 4.736 729 HB2 SER 43 HB2 SER 43 -11.746 -8.720 6.946 730 HB3 SER 43 HB3 SER 43 -10.407 -9.818 6.609 731 HG SER 43 HG SER 43 -10.288 -7.092 5.878 732 H ASP 44 H ASP 44 -13.428 -9.272 3.381 733 HA ASP 44 HA ASP 44 -14.561 -6.695 4.152 734 HB2 ASP 44 HB2 ASP 44 -14.956 -5.967 1.896 735 HB3 ASP 44 HB3 ASP 44 -13.244 -6.351 2.029 736 HA PRO 45 HA PRO 45 -18.210 -9.151 4.440 737 HB2 PRO 45 HB2 PRO 45 -19.769 -6.808 3.574 738 HB3 PRO 45 HB3 PRO 45 -19.839 -7.707 5.089 739 HG2 PRO 45 HG2 PRO 45 -18.766 -5.228 4.895 740 HG3 PRO 45 HG3 PRO 45 -18.212 -6.425 6.065 741 HD2 PRO 45 HD2 PRO 45 -16.950 -5.517 3.569 742 HD3 PRO 45 HD3 PRO 45 -16.202 -6.089 5.064 743 H ASP 46 H ASP 46 -19.260 -6.847 1.991 744 HA ASP 46 HA ASP 46 -18.760 -8.242 -0.341 745 HB2 ASP 46 HB2 ASP 46 -20.222 -10.020 0.617 746 HB3 ASP 46 HB3 ASP 46 -21.537 -8.852 0.711 747 H TYR 47 H TYR 47 -21.465 -6.621 1.278 748 HA TYR 47 HA TYR 47 -21.667 -4.757 -0.962 749 HB2 TYR 47 HB2 TYR 47 -23.498 -5.248 1.369 750 HB3 TYR 47 HB3 TYR 47 -23.774 -4.027 0.141 751 HD1 TYR 47 HD1 TYR 47 -24.194 -4.755 -2.220 752 HD2 TYR 47 HD2 TYR 47 -24.101 -7.511 1.017 753 HE1 TYR 47 HE1 TYR 47 -25.375 -6.407 -3.602 754 HE2 TYR 47 HE2 TYR 47 -25.279 -9.173 -0.360 755 HH TYR 47 HH TYR 47 -25.636 -8.864 -3.707 756 H ALA 48 H ALA 48 -20.762 -2.849 -0.817 757 HA ALA 48 HA ALA 48 -19.844 -0.930 -0.046 758 HB1 ALA 48 HB1 ALA 48 -22.025 -0.566 0.971 759 HB2 ALA 48 HB2 ALA 48 -20.738 0.060 2.001 760 HB3 ALA 48 HB3 ALA 48 -21.520 -1.467 2.401 Start of MODEL 7 1 H1 SER 0 H1 SER 0 -7.722 21.045 8.971 2 H2 SER 0 H2 SER 0 -6.149 21.133 8.356 3 H3 SER 0 H3 SER 0 -6.416 20.531 9.912 4 HA SER 0 HA SER 0 -7.556 18.634 9.068 5 HB2 SER 0 HB2 SER 0 -6.972 19.822 6.343 6 HB3 SER 0 HB3 SER 0 -7.739 18.265 6.648 7 HG SER 0 HG SER 0 -9.510 19.307 7.500 8 H MET 1 H MET 1 -6.426 16.794 7.806 9 HA MET 1 HA MET 1 -3.508 17.195 7.902 10 HB2 MET 1 HB2 MET 1 -5.092 14.837 8.935 11 HB3 MET 1 HB3 MET 1 -3.345 14.831 8.734 12 HG2 MET 1 HG2 MET 1 -3.130 16.626 10.349 13 HG3 MET 1 HG3 MET 1 -4.882 16.701 10.522 14 HE1 MET 1 HE1 MET 1 -3.650 15.192 13.940 15 HE2 MET 1 HE2 MET 1 -4.537 16.506 13.167 16 HE3 MET 1 HE3 MET 1 -2.792 16.374 12.950 17 H ASP 2 H ASP 2 -4.250 17.611 5.572 18 HA ASP 2 HA ASP 2 -4.291 17.020 3.387 19 HB2 ASP 2 HB2 ASP 2 -2.772 14.666 4.507 20 HB3 ASP 2 HB3 ASP 2 -3.051 14.882 2.782 21 H GLU 3 H GLU 3 -6.576 16.895 3.460 22 HA GLU 3 HA GLU 3 -7.975 14.527 4.093 23 HB2 GLU 3 HB2 GLU 3 -8.846 16.868 2.415 24 HB3 GLU 3 HB3 GLU 3 -9.906 15.626 3.074 25 HG2 GLU 3 HG2 GLU 3 -8.308 17.667 4.590 26 HG3 GLU 3 HG3 GLU 3 -10.054 17.520 4.474 27 H THR 4 H THR 4 -8.603 12.829 2.852 28 HA THR 4 HA THR 4 -7.291 12.645 0.252 29 HB THR 4 HB THR 4 -7.852 10.168 0.511 30 HG1 THR 4 HG1 THR 4 -7.938 10.275 3.214 31 HG21 THR 4 HG21 THR 4 -5.944 9.789 1.958 32 HG22 THR 4 HG22 THR 4 -6.062 11.429 2.592 33 HG23 THR 4 HG23 THR 4 -5.620 11.164 0.905 34 H VAL 5 H VAL 5 -10.187 13.598 1.253 35 HA VAL 5 HA VAL 5 -12.063 14.124 0.087 36 HB VAL 5 HB VAL 5 -10.825 12.554 -2.181 37 HG11 VAL 5 HG11 VAL 5 -13.177 14.439 -2.217 38 HG12 VAL 5 HG12 VAL 5 -13.264 12.687 -2.383 39 HG13 VAL 5 HG13 VAL 5 -12.453 13.650 -3.617 40 HG21 VAL 5 HG21 VAL 5 -10.326 14.778 -3.110 41 HG22 VAL 5 HG22 VAL 5 -9.505 14.495 -1.576 42 HG23 VAL 5 HG23 VAL 5 -10.941 15.518 -1.633 43 H LYS 6 H LYS 6 -14.055 13.307 0.219 44 HA LYS 6 HA LYS 6 -14.305 10.501 0.917 45 HB2 LYS 6 HB2 LYS 6 -16.232 12.782 1.116 46 HB3 LYS 6 HB3 LYS 6 -16.592 11.151 1.635 47 HG2 LYS 6 HG2 LYS 6 -14.844 11.271 3.280 48 HG3 LYS 6 HG3 LYS 6 -14.381 12.874 2.725 49 HD2 LYS 6 HD2 LYS 6 -17.079 12.166 3.858 50 HD3 LYS 6 HD3 LYS 6 -15.771 12.897 4.784 51 HE2 LYS 6 HE2 LYS 6 -15.799 14.804 3.247 52 HE3 LYS 6 HE3 LYS 6 -17.138 14.077 2.372 53 HZ1 LYS 6 HZ1 LYS 6 -18.473 14.210 4.380 54 HZ2 LYS 6 HZ2 LYS 6 -17.907 15.740 3.938 55 HZ3 LYS 6 HZ3 LYS 6 -17.183 14.911 5.219 56 H LEU 7 H LEU 7 -16.772 9.786 0.265 57 HA LEU 7 HA LEU 7 -17.964 8.791 -1.373 58 HB2 LEU 7 HB2 LEU 7 -17.007 11.121 -2.944 59 HB3 LEU 7 HB3 LEU 7 -17.939 9.869 -3.691 60 HG LEU 7 HG LEU 7 -19.484 11.535 -3.220 61 HD11 LEU 7 HD11 LEU 7 -20.173 9.312 -2.468 62 HD12 LEU 7 HD12 LEU 7 -20.936 10.607 -1.547 63 HD13 LEU 7 HD13 LEU 7 -19.594 9.700 -0.851 64 HD21 LEU 7 HD21 LEU 7 -18.070 12.930 -1.845 65 HD22 LEU 7 HD22 LEU 7 -18.221 11.799 -0.503 66 HD23 LEU 7 HD23 LEU 7 -19.635 12.689 -1.069 67 H ASN 8 H ASN 8 -15.301 9.956 -3.397 68 HA ASN 8 HA ASN 8 -14.306 7.179 -3.498 69 HB2 ASN 8 HB2 ASN 8 -13.896 9.365 -5.557 70 HB3 ASN 8 HB3 ASN 8 -13.179 7.775 -5.615 71 HD21 ASN 8 HD21 ASN 8 -14.079 7.329 -7.582 72 HD22 ASN 8 HD22 ASN 8 -15.761 6.982 -7.779 73 H HIS 9 H HIS 9 -12.820 7.183 -1.890 74 HA HIS 9 HA HIS 9 -11.147 9.331 -1.213 75 HB2 HIS 9 HB2 HIS 9 -10.944 6.362 -0.769 76 HB3 HIS 9 HB3 HIS 9 -9.656 7.450 -0.263 77 HD1 HIS 9 HD1 HIS 9 -13.002 6.224 0.702 78 HD2 HIS 9 HD2 HIS 9 -10.414 9.294 1.785 79 HE1 HIS 9 HE1 HIS 9 -13.866 7.098 2.897 80 HE2 HIS 9 HE2 HIS 9 -12.314 8.988 3.508 81 H THR 10 H THR 10 -9.423 10.144 -2.169 82 HA THR 10 HA THR 10 -8.661 9.163 -4.741 83 HB THR 10 HB THR 10 -7.301 11.267 -3.026 84 HG1 THR 10 HG1 THR 10 -9.715 11.370 -3.820 85 HG21 THR 10 HG21 THR 10 -6.507 12.167 -5.167 86 HG22 THR 10 HG22 THR 10 -7.270 10.821 -6.014 87 HG23 THR 10 HG23 THR 10 -5.930 10.520 -4.907 88 H CYS 11 H CYS 11 -6.984 7.942 -5.331 89 HA CYS 11 HA CYS 11 -5.801 6.274 -3.392 90 HB2 CYS 11 HB2 CYS 11 -6.244 5.640 -5.760 91 HB3 CYS 11 HB3 CYS 11 -4.922 6.682 -6.230 92 H VAL 12 H VAL 12 -4.272 6.652 -2.126 93 HA VAL 12 HA VAL 12 -2.402 8.596 -1.985 94 HB VAL 12 HB VAL 12 -3.107 6.324 -0.669 95 HG11 VAL 12 HG11 VAL 12 -1.755 4.821 -1.850 96 HG12 VAL 12 HG12 VAL 12 -1.023 5.060 -0.265 97 HG13 VAL 12 HG13 VAL 12 -0.341 5.857 -1.683 98 HG21 VAL 12 HG21 VAL 12 -0.882 8.224 -0.221 99 HG22 VAL 12 HG22 VAL 12 -1.290 6.953 0.930 100 HG23 VAL 12 HG23 VAL 12 -2.489 8.173 0.501 101 H ILE 13 H ILE 13 -2.501 5.954 -4.241 102 HA ILE 13 HA ILE 13 0.342 6.230 -4.859 103 HB ILE 13 HB ILE 13 -1.569 4.233 -6.024 104 HG12 ILE 13 HG12 ILE 13 -1.509 4.063 -3.554 105 HG13 ILE 13 HG13 ILE 13 -0.849 2.652 -4.358 106 HG21 ILE 13 HG21 ILE 13 0.488 4.558 -7.262 107 HG22 ILE 13 HG22 ILE 13 0.477 2.973 -6.489 108 HG23 ILE 13 HG23 ILE 13 1.426 4.287 -5.795 109 HD11 ILE 13 HD11 ILE 13 0.421 3.407 -2.410 110 HD12 ILE 13 HD12 ILE 13 0.798 4.887 -3.288 111 HD13 ILE 13 HD13 ILE 13 1.356 3.334 -3.901 112 H CYS 14 H CYS 14 -2.708 5.917 -6.728 113 HA CYS 14 HA CYS 14 -1.256 7.049 -8.948 114 HB2 CYS 14 HB2 CYS 14 -3.020 6.092 -10.365 115 HB3 CYS 14 HB3 CYS 14 -2.175 4.898 -9.413 116 H ASP 15 H ASP 15 -3.100 8.237 -6.606 117 HA ASP 15 HA ASP 15 -4.063 10.266 -6.271 118 HB2 ASP 15 HB2 ASP 15 -2.006 10.883 -7.546 119 HB3 ASP 15 HB3 ASP 15 -2.997 10.984 -8.984 120 H GLN 16 H GLN 16 -5.456 8.167 -7.700 121 HA GLN 16 HA GLN 16 -7.440 9.702 -9.197 122 HB2 GLN 16 HB2 GLN 16 -7.018 6.721 -9.085 123 HB3 GLN 16 HB3 GLN 16 -8.177 7.560 -10.105 124 HG2 GLN 16 HG2 GLN 16 -5.182 7.748 -10.258 125 HG3 GLN 16 HG3 GLN 16 -6.242 6.917 -11.385 126 HE21 GLN 16 HE21 GLN 16 -4.333 9.031 -11.834 127 HE22 GLN 16 HE22 GLN 16 -5.221 10.316 -12.566 128 H GLU 17 H GLU 17 -9.489 9.765 -8.566 129 HA GLU 17 HA GLU 17 -10.158 9.244 -5.857 130 HB2 GLU 17 HB2 GLU 17 -11.811 10.263 -8.163 131 HB3 GLU 17 HB3 GLU 17 -12.384 10.157 -6.507 132 HG2 GLU 17 HG2 GLU 17 -10.902 11.795 -5.773 133 HG3 GLU 17 HG3 GLU 17 -9.925 11.694 -7.231 134 H LYS 18 H LYS 18 -10.443 7.269 -5.287 135 HA LYS 18 HA LYS 18 -12.058 5.451 -6.948 136 HB2 LYS 18 HB2 LYS 18 -10.010 4.424 -5.102 137 HB3 LYS 18 HB3 LYS 18 -10.671 3.672 -6.513 138 HG2 LYS 18 HG2 LYS 18 -8.643 5.872 -6.412 139 HG3 LYS 18 HG3 LYS 18 -8.395 4.210 -6.939 140 HD2 LYS 18 HD2 LYS 18 -10.385 5.927 -8.311 141 HD3 LYS 18 HD3 LYS 18 -8.696 6.096 -8.670 142 HE2 LYS 18 HE2 LYS 18 -9.749 4.641 -10.271 143 HE3 LYS 18 HE3 LYS 18 -8.599 3.774 -9.284 144 HZ1 LYS 18 HZ1 LYS 18 -10.708 2.571 -9.686 145 HZ2 LYS 18 HZ2 LYS 18 -11.512 3.757 -8.787 146 HZ3 LYS 18 HZ3 LYS 18 -10.348 2.777 -8.046 147 H ASN 19 H ASN 19 -13.630 4.267 -5.927 148 HA ASN 19 HA ASN 19 -13.944 4.825 -3.066 149 HB2 ASN 19 HB2 ASN 19 -16.273 4.253 -3.317 150 HB3 ASN 19 HB3 ASN 19 -15.836 5.395 -4.577 151 HD21 ASN 19 HD21 ASN 19 -16.861 2.171 -3.863 152 HD22 ASN 19 HD22 ASN 19 -17.137 1.678 -5.529 153 H ARG 20 H ARG 20 -12.765 2.495 -5.097 154 HA ARG 20 HA ARG 20 -13.246 0.407 -3.090 155 HB2 ARG 20 HB2 ARG 20 -12.881 0.087 -6.068 156 HB3 ARG 20 HB3 ARG 20 -12.789 -1.237 -4.937 157 HG2 ARG 20 HG2 ARG 20 -15.073 -0.785 -4.247 158 HG3 ARG 20 HG3 ARG 20 -15.139 0.540 -5.399 159 HD2 ARG 20 HD2 ARG 20 -14.723 -0.932 -7.216 160 HD3 ARG 20 HD3 ARG 20 -14.519 -2.240 -6.090 161 HE ARG 20 HE ARG 20 -17.081 -0.835 -6.217 162 HH11 ARG 20 HH11 ARG 20 -15.279 -3.800 -6.699 163 HH12 ARG 20 HH12 ARG 20 -16.703 -4.781 -6.832 164 HH21 ARG 20 HH21 ARG 20 -18.934 -2.118 -6.404 165 HH22 ARG 20 HH22 ARG 20 -18.778 -3.828 -6.668 166 H GLY 21 H GLY 21 -11.603 -0.462 -2.122 167 HA2 GLY 21 HA2 GLY 21 -9.049 -0.975 -2.675 168 HA3 GLY 21 HA3 GLY 21 -9.009 0.781 -2.504 169 H ILE 22 H ILE 22 -7.573 0.283 -0.554 170 HA ILE 22 HA ILE 22 -9.352 -0.278 1.702 171 HB ILE 22 HB ILE 22 -7.766 -1.527 2.779 172 HG12 ILE 22 HG12 ILE 22 -5.685 -0.141 1.126 173 HG13 ILE 22 HG13 ILE 22 -6.101 0.236 2.760 174 HG21 ILE 22 HG21 ILE 22 -6.519 -2.960 1.116 175 HG22 ILE 22 HG22 ILE 22 -7.168 -1.915 -0.150 176 HG23 ILE 22 HG23 ILE 22 -8.263 -2.850 0.874 177 HD11 ILE 22 HD11 ILE 22 -4.071 -1.051 2.692 178 HD12 ILE 22 HD12 ILE 22 -4.897 -2.325 1.796 179 HD13 ILE 22 HD13 ILE 22 -5.357 -1.978 3.467 180 H HIS 23 H HIS 23 -7.989 0.516 3.708 181 HA HIS 23 HA HIS 23 -6.773 3.070 3.349 182 HB2 HIS 23 HB2 HIS 23 -8.495 4.393 4.531 183 HB3 HIS 23 HB3 HIS 23 -9.066 3.795 2.997 184 HD1 HIS 23 HD1 HIS 23 -10.048 4.144 6.430 185 HD2 HIS 23 HD2 HIS 23 -10.745 1.433 3.388 186 HE1 HIS 23 HE1 HIS 23 -12.138 2.916 7.099 187 HE2 HIS 23 HE2 HIS 23 -12.557 1.279 5.229 188 H LEU 24 H LEU 24 -5.222 3.033 4.816 189 HA LEU 24 HA LEU 24 -5.415 1.139 6.981 190 HB2 LEU 24 HB2 LEU 24 -3.193 2.877 5.947 191 HB3 LEU 24 HB3 LEU 24 -3.028 1.766 7.258 192 HG LEU 24 HG LEU 24 -3.709 0.961 4.444 193 HD11 LEU 24 HD11 LEU 24 -1.422 1.769 4.617 194 HD12 LEU 24 HD12 LEU 24 -1.448 0.023 4.397 195 HD13 LEU 24 HD13 LEU 24 -1.134 0.706 5.991 196 HD21 LEU 24 HD21 LEU 24 -3.066 -0.686 6.884 197 HD22 LEU 24 HD22 LEU 24 -3.304 -1.313 5.253 198 HD23 LEU 24 HD23 LEU 24 -4.646 -0.552 6.109 199 H TYR 25 H TYR 25 -4.177 4.414 6.678 200 HA TYR 25 HA TYR 25 -4.931 4.914 9.423 201 HB2 TYR 25 HB2 TYR 25 -3.133 6.427 7.580 202 HB3 TYR 25 HB3 TYR 25 -3.509 6.949 9.209 203 HD1 TYR 25 HD1 TYR 25 -3.079 3.395 8.473 204 HD2 TYR 25 HD2 TYR 25 -1.125 6.918 9.824 205 HE1 TYR 25 HE1 TYR 25 -1.222 2.031 9.291 206 HE2 TYR 25 HE2 TYR 25 0.742 5.561 10.659 207 HH TYR 25 HH TYR 25 1.139 3.212 11.390 208 H THR 26 H THR 26 -4.612 7.726 7.573 209 HA THR 26 HA THR 26 -7.526 7.892 7.283 210 HB THR 26 HB THR 26 -6.479 9.679 8.635 211 HG1 THR 26 HG1 THR 26 -7.440 10.736 6.168 212 HG21 THR 26 HG21 THR 26 -5.114 10.477 6.067 213 HG22 THR 26 HG22 THR 26 -4.320 9.748 7.461 214 HG23 THR 26 HG23 THR 26 -5.054 11.348 7.600 215 H LYS 27 H LYS 27 -5.073 6.825 5.524 216 HA LYS 27 HA LYS 27 -5.829 8.271 3.078 217 HB2 LYS 27 HB2 LYS 27 -3.676 6.972 2.244 218 HB3 LYS 27 HB3 LYS 27 -3.588 8.530 3.050 219 HG2 LYS 27 HG2 LYS 27 -3.405 5.974 4.593 220 HG3 LYS 27 HG3 LYS 27 -1.992 6.678 3.796 221 HD2 LYS 27 HD2 LYS 27 -3.727 7.937 5.908 222 HD3 LYS 27 HD3 LYS 27 -2.040 7.479 6.049 223 HE2 LYS 27 HE2 LYS 27 -2.065 9.122 3.841 224 HE3 LYS 27 HE3 LYS 27 -3.255 9.862 4.900 225 HZ1 LYS 27 HZ1 LYS 27 -1.710 10.352 6.486 226 HZ2 LYS 27 HZ2 LYS 27 -0.773 10.531 5.090 227 HZ3 LYS 27 HZ3 LYS 27 -0.645 9.122 6.021 228 H PHE 28 H PHE 28 -5.029 6.717 1.158 229 HA PHE 28 HA PHE 28 -6.616 4.284 1.345 230 HB2 PHE 28 HB2 PHE 28 -8.236 6.002 0.931 231 HB3 PHE 28 HB3 PHE 28 -7.240 6.716 -0.322 232 HD1 PHE 28 HD1 PHE 28 -9.355 3.784 0.469 233 HD2 PHE 28 HD2 PHE 28 -7.280 5.954 -2.532 234 HE1 PHE 28 HE1 PHE 28 -10.432 2.415 -1.273 235 HE2 PHE 28 HE2 PHE 28 -8.330 4.593 -4.269 236 HZ PHE 28 HZ PHE 28 -9.906 2.803 -3.664 237 H ILE 29 H ILE 29 -5.218 2.829 0.462 238 HA ILE 29 HA ILE 29 -3.934 3.529 -2.074 239 HB ILE 29 HB ILE 29 -3.968 0.834 -0.677 240 HG12 ILE 29 HG12 ILE 29 -1.440 1.420 -0.416 241 HG13 ILE 29 HG13 ILE 29 -1.980 3.085 -0.594 242 HG21 ILE 29 HG21 ILE 29 -2.214 0.234 -2.274 243 HG22 ILE 29 HG22 ILE 29 -2.376 1.813 -3.039 244 HG23 ILE 29 HG23 ILE 29 -3.724 0.670 -3.086 245 HD11 ILE 29 HD11 ILE 29 -3.274 2.975 1.366 246 HD12 ILE 29 HD12 ILE 29 -1.727 2.222 1.761 247 HD13 ILE 29 HD13 ILE 29 -3.142 1.218 1.446 248 H CYS 30 H CYS 30 -5.137 3.244 -3.923 249 HA CYS 30 HA CYS 30 -7.688 2.007 -3.757 250 HB2 CYS 30 HB2 CYS 30 -8.043 2.534 -5.962 251 HB3 CYS 30 HB3 CYS 30 -6.828 3.724 -5.534 252 H LEU 31 H LEU 31 -8.378 0.212 -4.950 253 HA LEU 31 HA LEU 31 -7.257 -2.033 -3.889 254 HB2 LEU 31 HB2 LEU 31 -9.023 -3.137 -4.842 255 HB3 LEU 31 HB3 LEU 31 -9.618 -1.517 -4.708 256 HG LEU 31 HG LEU 31 -8.713 -1.388 -7.216 257 HD11 LEU 31 HD11 LEU 31 -7.885 -3.682 -7.262 258 HD12 LEU 31 HD12 LEU 31 -9.205 -3.457 -8.411 259 HD13 LEU 31 HD13 LEU 31 -9.500 -4.280 -6.880 260 HD21 LEU 31 HD21 LEU 31 -11.352 -2.581 -6.384 261 HD22 LEU 31 HD22 LEU 31 -10.998 -1.862 -7.955 262 HD23 LEU 31 HD23 LEU 31 -10.970 -0.863 -6.501 263 H ASP 32 H ASP 32 -6.459 -0.504 -6.829 264 HA ASP 32 HA ASP 32 -5.498 -2.893 -8.151 265 HB2 ASP 32 HB2 ASP 32 -6.500 -0.773 -9.253 266 HB3 ASP 32 HB3 ASP 32 -4.900 -0.115 -9.011 267 H CYS 33 H CYS 33 -4.316 -0.037 -6.650 268 HA CYS 33 HA CYS 33 -1.559 -0.626 -6.919 269 HB2 CYS 33 HB2 CYS 33 -2.924 1.401 -5.155 270 HB3 CYS 33 HB3 CYS 33 -1.212 1.237 -5.392 271 H GLU 34 H GLU 34 -4.029 -1.099 -4.574 272 HA GLU 34 HA GLU 34 -2.493 -1.839 -2.398 273 HB2 GLU 34 HB2 GLU 34 -4.931 -1.358 -2.363 274 HB3 GLU 34 HB3 GLU 34 -5.223 -2.886 -3.136 275 HG2 GLU 34 HG2 GLU 34 -3.771 -2.809 -0.571 276 HG3 GLU 34 HG3 GLU 34 -5.507 -2.666 -0.597 277 H ARG 35 H ARG 35 -3.712 -3.761 -5.079 278 HA ARG 35 HA ARG 35 -2.315 -6.080 -4.131 279 HB2 ARG 35 HB2 ARG 35 -2.855 -7.137 -6.294 280 HB3 ARG 35 HB3 ARG 35 -4.272 -6.465 -5.504 281 HG2 ARG 35 HG2 ARG 35 -4.139 -4.518 -6.982 282 HG3 ARG 35 HG3 ARG 35 -2.759 -5.239 -7.794 283 HD2 ARG 35 HD2 ARG 35 -4.134 -7.101 -8.454 284 HD3 ARG 35 HD3 ARG 35 -5.514 -6.424 -7.606 285 HE ARG 35 HE ARG 35 -4.627 -4.503 -9.400 286 HH11 ARG 35 HH11 ARG 35 -5.943 -7.734 -9.529 287 HH12 ARG 35 HH12 ARG 35 -6.751 -7.484 -11.042 288 HH21 ARG 35 HH21 ARG 35 -5.698 -4.147 -11.379 289 HH22 ARG 35 HH22 ARG 35 -6.602 -5.444 -12.102 290 H LYS 36 H LYS 36 -1.436 -3.367 -6.007 291 HA LYS 36 HA LYS 36 0.612 -4.449 -7.591 292 HB2 LYS 36 HB2 LYS 36 0.324 -1.706 -6.467 293 HB3 LYS 36 HB3 LYS 36 1.536 -2.155 -7.634 294 HG2 LYS 36 HG2 LYS 36 -0.350 -2.717 -9.170 295 HG3 LYS 36 HG3 LYS 36 -1.432 -2.030 -8.021 296 HD2 LYS 36 HD2 LYS 36 -0.336 0.026 -8.234 297 HD3 LYS 36 HD3 LYS 36 0.893 -0.629 -9.280 298 HE2 LYS 36 HE2 LYS 36 -2.052 -0.519 -9.904 299 HE3 LYS 36 HE3 LYS 36 -0.863 0.649 -10.470 300 HZ1 LYS 36 HZ1 LYS 36 -1.327 -1.028 -12.142 301 HZ2 LYS 36 HZ2 LYS 36 -0.848 -2.253 -11.082 302 HZ3 LYS 36 HZ3 LYS 36 0.284 -1.123 -11.635 303 H VAL 37 H VAL 37 0.393 -3.109 -4.420 304 HA VAL 37 HA VAL 37 3.064 -2.923 -3.806 305 HB VAL 37 HB VAL 37 2.423 -2.947 -1.465 306 HG11 VAL 37 HG11 VAL 37 1.079 -0.977 -1.448 307 HG12 VAL 37 HG12 VAL 37 0.365 -1.389 -3.008 308 HG13 VAL 37 HG13 VAL 37 2.064 -0.912 -2.910 309 HG21 VAL 37 HG21 VAL 37 -0.141 -3.990 -2.521 310 HG22 VAL 37 HG22 VAL 37 -0.111 -3.031 -1.039 311 HG23 VAL 37 HG23 VAL 37 0.822 -4.527 -1.138 312 H ILE 38 H ILE 38 0.829 -5.521 -3.155 313 HA ILE 38 HA ILE 38 2.513 -7.257 -1.764 314 HB ILE 38 HB ILE 38 0.369 -8.294 -3.593 315 HG12 ILE 38 HG12 ILE 38 -0.083 -6.675 -1.093 316 HG13 ILE 38 HG13 ILE 38 -0.764 -6.421 -2.682 317 HG21 ILE 38 HG21 ILE 38 1.366 -9.060 -0.870 318 HG22 ILE 38 HG22 ILE 38 1.535 -9.957 -2.376 319 HG23 ILE 38 HG23 ILE 38 -0.051 -9.781 -1.626 320 HD11 ILE 38 HD11 ILE 38 -2.288 -8.147 -2.447 321 HD12 ILE 38 HD12 ILE 38 -2.253 -7.410 -0.839 322 HD13 ILE 38 HD13 ILE 38 -1.374 -8.906 -1.148 323 H SER 39 H SER 39 1.918 -6.595 -5.094 324 HA SER 39 HA SER 39 3.185 -8.969 -5.973 325 HB2 SER 39 HB2 SER 39 1.316 -8.045 -7.257 326 HB3 SER 39 HB3 SER 39 2.237 -6.572 -7.551 327 HG SER 39 HG SER 39 3.249 -9.086 -8.333 328 H THR 40 H THR 40 4.035 -5.674 -5.482 329 HA THR 40 HA THR 40 6.510 -5.751 -6.949 330 HB THR 40 HB THR 40 5.393 -3.730 -4.993 331 HG1 THR 40 HG1 THR 40 4.172 -3.961 -6.918 332 HG21 THR 40 HG21 THR 40 7.867 -3.612 -5.227 333 HG22 THR 40 HG22 THR 40 7.030 -2.173 -5.808 334 HG23 THR 40 HG23 THR 40 7.652 -3.359 -6.961 335 H SER 41 H SER 41 5.485 -5.993 -3.585 336 HA SER 41 HA SER 41 8.099 -5.722 -2.503 337 HB2 SER 41 HB2 SER 41 5.990 -5.066 -1.371 338 HB3 SER 41 HB3 SER 41 5.685 -6.775 -1.163 339 HG SER 41 HG SER 41 6.713 -5.692 0.654 340 H THR 42 H THR 42 6.075 -8.467 -3.344 341 HA THR 42 HA THR 42 7.679 -10.326 -1.841 342 HB THR 42 HB THR 42 6.249 -12.061 -2.936 343 HG1 THR 42 HG1 THR 42 4.451 -10.175 -3.865 344 HG21 THR 42 HG21 THR 42 4.192 -11.418 -1.764 345 HG22 THR 42 HG22 THR 42 4.779 -9.760 -1.640 346 HG23 THR 42 HG23 THR 42 5.619 -11.058 -0.791 347 H SER 43 H SER 43 9.279 -8.924 -3.586 348 HA SER 43 HA SER 43 10.487 -11.104 -5.042 349 HB2 SER 43 HB2 SER 43 9.681 -8.566 -6.492 350 HB3 SER 43 HB3 SER 43 10.646 -9.877 -7.170 351 HG SER 43 HG SER 43 8.335 -10.817 -6.123 352 H ASP 44 H ASP 44 11.121 -9.488 -2.722 353 HA ASP 44 HA ASP 44 13.576 -8.203 -3.703 354 HB2 ASP 44 HB2 ASP 44 11.947 -6.438 -3.197 355 HB3 ASP 44 HB3 ASP 44 11.747 -7.086 -1.574 356 HA PRO 45 HA PRO 45 14.919 -10.851 -0.252 357 HB2 PRO 45 HB2 PRO 45 16.919 -12.068 -1.577 358 HB3 PRO 45 HB3 PRO 45 15.257 -12.621 -1.704 359 HG2 PRO 45 HG2 PRO 45 16.903 -11.054 -3.592 360 HG3 PRO 45 HG3 PRO 45 15.677 -12.278 -3.889 361 HD2 PRO 45 HD2 PRO 45 15.303 -9.513 -4.055 362 HD3 PRO 45 HD3 PRO 45 14.013 -10.725 -3.975 363 H ASP 46 H ASP 46 17.009 -10.868 0.779 364 HA ASP 46 HA ASP 46 18.289 -9.380 1.994 365 HB2 ASP 46 HB2 ASP 46 20.560 -9.456 0.914 366 HB3 ASP 46 HB3 ASP 46 19.772 -10.988 1.200 367 H TYR 47 H TYR 47 19.831 -8.192 -0.919 368 HA TYR 47 HA TYR 47 18.769 -5.528 -0.345 369 HB2 TYR 47 HB2 TYR 47 21.657 -6.247 -0.701 370 HB3 TYR 47 HB3 TYR 47 21.039 -4.617 -0.614 371 HD1 TYR 47 HD1 TYR 47 22.410 -7.290 1.212 372 HD2 TYR 47 HD2 TYR 47 19.705 -4.028 1.567 373 HE1 TYR 47 HE1 TYR 47 22.678 -7.342 3.652 374 HE2 TYR 47 HE2 TYR 47 19.965 -4.073 4.014 375 HH TYR 47 HH TYR 47 22.433 -5.805 5.555 376 H ALA 48 H ALA 48 18.610 -4.164 -2.076 377 HA ALA 48 HA ALA 48 19.800 -4.949 -4.626 378 HB1 ALA 48 HB1 ALA 48 17.686 -4.360 -5.814 379 HB2 ALA 48 HB2 ALA 48 16.875 -4.314 -4.248 380 HB3 ALA 48 HB3 ALA 48 17.579 -5.820 -4.835 381 H1 SER 0 H1 SER 0 8.015 20.874 -9.290 382 H2 SER 0 H2 SER 0 6.449 20.994 -8.668 383 H3 SER 0 H3 SER 0 6.695 20.380 -10.224 384 HA SER 0 HA SER 0 7.808 18.468 -9.371 385 HB2 SER 0 HB2 SER 0 7.246 19.684 -6.655 386 HB3 SER 0 HB3 SER 0 7.990 18.113 -6.952 387 HG SER 0 HG SER 0 9.773 19.112 -7.800 388 H MET 1 H MET 1 6.642 16.657 -8.096 389 HA MET 1 HA MET 1 3.733 17.109 -8.201 390 HB2 MET 1 HB2 MET 1 5.277 14.720 -9.229 391 HB3 MET 1 HB3 MET 1 3.530 14.743 -9.029 392 HG2 MET 1 HG2 MET 1 3.347 16.541 -10.647 393 HG3 MET 1 HG3 MET 1 5.101 16.582 -10.820 394 HE1 MET 1 HE1 MET 1 3.841 15.090 -14.238 395 HE2 MET 1 HE2 MET 1 4.752 16.388 -13.467 396 HE3 MET 1 HE3 MET 1 3.004 16.289 -13.252 397 H ASP 2 H ASP 2 4.489 17.520 -5.875 398 HA ASP 2 HA ASP 2 4.514 16.938 -3.687 399 HB2 ASP 2 HB2 ASP 2 2.952 14.606 -4.800 400 HB3 ASP 2 HB3 ASP 2 3.230 14.827 -3.075 401 H GLU 3 H GLU 3 6.797 16.769 -3.766 402 HA GLU 3 HA GLU 3 8.152 14.371 -4.387 403 HB2 GLU 3 HB2 GLU 3 9.062 16.703 -2.718 404 HB3 GLU 3 HB3 GLU 3 10.100 15.441 -3.370 405 HG2 GLU 3 HG2 GLU 3 8.542 17.506 -4.892 406 HG3 GLU 3 HG3 GLU 3 10.284 17.327 -4.775 407 H THR 4 H THR 4 8.772 12.672 -3.133 408 HA THR 4 HA THR 4 7.436 12.518 -0.540 409 HB THR 4 HB THR 4 7.952 10.029 -0.794 410 HG1 THR 4 HG1 THR 4 8.035 10.093 -3.480 411 HG21 THR 4 HG21 THR 4 6.036 9.687 -2.239 412 HG22 THR 4 HG22 THR 4 6.187 11.322 -2.877 413 HG23 THR 4 HG23 THR 4 5.741 11.072 -1.191 414 H VAL 5 H VAL 5 10.353 13.410 -1.547 415 HA VAL 5 HA VAL 5 12.233 13.913 -0.375 416 HB VAL 5 HB VAL 5 10.965 12.374 1.898 417 HG11 VAL 5 HG11 VAL 5 13.354 14.213 1.929 418 HG12 VAL 5 HG12 VAL 5 13.405 12.460 2.100 419 HG13 VAL 5 HG13 VAL 5 12.614 13.443 3.331 420 HG21 VAL 5 HG21 VAL 5 10.512 14.615 2.821 421 HG22 VAL 5 HG22 VAL 5 9.682 14.338 1.290 422 HG23 VAL 5 HG23 VAL 5 11.136 15.334 1.336 423 H LYS 6 H LYS 6 14.211 13.063 -0.506 424 HA LYS 6 HA LYS 6 14.408 10.247 -1.195 425 HB2 LYS 6 HB2 LYS 6 16.376 12.492 -1.403 426 HB3 LYS 6 HB3 LYS 6 16.709 10.853 -1.913 427 HG2 LYS 6 HG2 LYS 6 14.963 10.997 -3.560 428 HG3 LYS 6 HG3 LYS 6 14.529 12.611 -3.011 429 HD2 LYS 6 HD2 LYS 6 17.218 11.845 -4.144 430 HD3 LYS 6 HD3 LYS 6 15.925 12.603 -5.064 431 HE2 LYS 6 HE2 LYS 6 15.975 14.515 -3.531 432 HE3 LYS 6 HE3 LYS 6 17.302 13.758 -2.663 433 HZ1 LYS 6 HZ1 LYS 6 18.643 13.877 -4.664 434 HZ2 LYS 6 HZ2 LYS 6 18.096 15.416 -4.221 435 HZ3 LYS 6 HZ3 LYS 6 17.362 14.596 -5.506 436 H LEU 7 H LEU 7 16.872 9.497 -0.538 437 HA LEU 7 HA LEU 7 18.035 8.477 1.101 438 HB2 LEU 7 HB2 LEU 7 17.124 10.829 2.669 439 HB3 LEU 7 HB3 LEU 7 18.036 9.563 3.419 440 HG LEU 7 HG LEU 7 19.610 11.199 2.937 441 HD11 LEU 7 HD11 LEU 7 20.254 8.962 2.190 442 HD12 LEU 7 HD12 LEU 7 21.040 10.241 1.264 443 HD13 LEU 7 HD13 LEU 7 19.681 9.356 0.572 444 HD21 LEU 7 HD21 LEU 7 18.215 12.615 1.562 445 HD22 LEU 7 HD22 LEU 7 18.347 11.477 0.221 446 HD23 LEU 7 HD23 LEU 7 19.776 12.345 0.785 447 H ASN 8 H ASN 8 15.397 9.698 3.125 448 HA ASN 8 HA ASN 8 14.348 6.941 3.231 449 HB2 ASN 8 HB2 ASN 8 13.975 9.139 5.283 450 HB3 ASN 8 HB3 ASN 8 13.232 7.563 5.349 451 HD21 ASN 8 HD21 ASN 8 14.126 7.101 7.312 452 HD22 ASN 8 HD22 ASN 8 15.804 6.737 7.518 453 H HIS 9 H HIS 9 12.866 6.969 1.626 454 HA HIS 9 HA HIS 9 11.228 9.141 0.940 455 HB2 HIS 9 HB2 HIS 9 10.973 6.174 0.509 456 HB3 HIS 9 HB3 HIS 9 9.704 7.283 -0.003 457 HD1 HIS 9 HD1 HIS 9 13.034 6.004 -0.956 458 HD2 HIS 9 HD2 HIS 9 10.496 9.105 -2.059 459 HE1 HIS 9 HE1 HIS 9 13.908 6.845 -3.155 460 HE2 HIS 9 HE2 HIS 9 12.393 8.755 -3.777 461 H THR 10 H THR 10 9.520 9.988 1.892 462 HA THR 10 HA THR 10 8.738 9.031 4.465 463 HB THR 10 HB THR 10 7.417 11.152 2.746 464 HG1 THR 10 HG1 THR 10 9.835 11.212 3.541 465 HG21 THR 10 HG21 THR 10 6.642 12.070 4.883 466 HG22 THR 10 HG22 THR 10 7.382 10.713 5.735 467 HG23 THR 10 HG23 THR 10 6.036 10.434 4.631 468 H CYS 11 H CYS 11 7.045 7.838 5.062 469 HA CYS 11 HA CYS 11 5.831 6.186 3.128 470 HB2 CYS 11 HB2 CYS 11 6.262 5.552 5.500 471 HB3 CYS 11 HB3 CYS 11 4.957 6.619 5.965 472 H VAL 12 H VAL 12 4.307 6.590 1.858 473 HA VAL 12 HA VAL 12 2.474 8.564 1.712 474 HB VAL 12 HB VAL 12 3.134 6.276 0.403 475 HG11 VAL 12 HG11 VAL 12 1.759 4.801 1.588 476 HG12 VAL 12 HG12 VAL 12 1.026 5.050 0.006 477 HG13 VAL 12 HG13 VAL 12 0.364 5.861 1.425 478 HG21 VAL 12 HG21 VAL 12 0.945 8.213 -0.050 479 HG22 VAL 12 HG22 VAL 12 1.327 6.933 -1.197 480 HG23 VAL 12 HG23 VAL 12 2.550 8.132 -0.772 481 H ILE 13 H ILE 13 2.525 5.929 3.975 482 HA ILE 13 HA ILE 13 -0.313 6.257 4.594 483 HB ILE 13 HB ILE 13 1.563 4.230 5.768 484 HG12 ILE 13 HG12 ILE 13 1.500 4.054 3.295 485 HG13 ILE 13 HG13 ILE 13 0.818 2.658 4.103 486 HG21 ILE 13 HG21 ILE 13 -0.489 4.595 7.003 487 HG22 ILE 13 HG22 ILE 13 -0.503 3.008 6.235 488 HG23 ILE 13 HG23 ILE 13 -1.431 4.336 5.535 489 HD11 ILE 13 HD11 ILE 13 -0.442 3.427 2.155 490 HD12 ILE 13 HD12 ILE 13 -0.793 4.917 3.027 491 HD13 ILE 13 HD13 ILE 13 -1.376 3.375 3.648 492 H CYS 14 H CYS 14 2.731 5.896 6.466 493 HA CYS 14 HA CYS 14 1.298 7.060 8.680 494 HB2 CYS 14 HB2 CYS 14 3.047 6.078 10.101 495 HB3 CYS 14 HB3 CYS 14 2.184 4.894 9.151 496 H ASP 15 H ASP 15 3.164 8.202 6.334 497 HA ASP 15 HA ASP 15 4.161 10.217 5.991 498 HB2 ASP 15 HB2 ASP 15 2.112 10.869 7.268 499 HB3 ASP 15 HB3 ASP 15 3.109 10.959 8.704 500 H GLN 16 H GLN 16 5.523 8.100 7.426 501 HA GLN 16 HA GLN 16 7.529 9.607 8.921 502 HB2 GLN 16 HB2 GLN 16 7.056 6.634 8.817 503 HB3 GLN 16 HB3 GLN 16 8.231 7.456 9.836 504 HG2 GLN 16 HG2 GLN 16 5.239 7.694 9.988 505 HG3 GLN 16 HG3 GLN 16 6.285 6.848 11.116 506 HE21 GLN 16 HE21 GLN 16 4.413 9.006 11.558 507 HE22 GLN 16 HE22 GLN 16 5.327 10.272 12.293 508 H GLU 17 H GLU 17 9.581 9.632 8.292 509 HA GLU 17 HA GLU 17 10.238 9.091 5.584 510 HB2 GLU 17 HB2 GLU 17 11.912 10.086 7.887 511 HB3 GLU 17 HB3 GLU 17 12.481 9.964 6.231 512 HG2 GLU 17 HG2 GLU 17 11.028 11.624 5.492 513 HG3 GLU 17 HG3 GLU 17 10.051 11.547 6.951 514 H LYS 18 H LYS 18 10.483 7.105 5.021 515 HA LYS 18 HA LYS 18 12.069 5.266 6.687 516 HB2 LYS 18 HB2 LYS 18 10.004 4.267 4.845 517 HB3 LYS 18 HB3 LYS 18 10.652 3.509 6.263 518 HG2 LYS 18 HG2 LYS 18 8.663 5.745 6.151 519 HG3 LYS 18 HG3 LYS 18 8.383 4.090 6.682 520 HD2 LYS 18 HD2 LYS 18 10.407 5.775 8.050 521 HD3 LYS 18 HD3 LYS 18 8.721 5.976 8.408 522 HE2 LYS 18 HE2 LYS 18 9.750 4.507 10.012 523 HE3 LYS 18 HE3 LYS 18 8.583 3.659 9.029 524 HZ1 LYS 18 HZ1 LYS 18 10.672 2.421 9.432 525 HZ2 LYS 18 HZ2 LYS 18 11.494 3.587 8.525 526 HZ3 LYS 18 HZ3 LYS 18 10.308 2.627 7.795 527 H ASN 19 H ASN 19 13.619 4.048 5.674 528 HA ASN 19 HA ASN 19 13.945 4.590 2.812 529 HB2 ASN 19 HB2 ASN 19 16.261 3.979 3.061 530 HB3 ASN 19 HB3 ASN 19 15.847 5.133 4.317 531 HD21 ASN 19 HD21 ASN 19 16.808 1.888 3.609 532 HD22 ASN 19 HD22 ASN 19 17.086 1.396 5.274 533 H ARG 20 H ARG 20 12.721 2.291 4.841 534 HA ARG 20 HA ARG 20 13.187 0.171 2.865 535 HB2 ARG 20 HB2 ARG 20 12.811 -0.026 5.836 536 HB3 ARG 20 HB3 ARG 20 12.673 -1.414 4.791 537 HG2 ARG 20 HG2 ARG 20 14.942 -1.032 4.009 538 HG3 ARG 20 HG3 ARG 20 15.084 0.292 5.151 539 HD2 ARG 20 HD2 ARG 20 14.560 -1.228 6.909 540 HD3 ARG 20 HD3 ARG 20 14.429 -2.552 5.794 541 HE ARG 20 HE ARG 20 16.969 -1.099 6.006 542 HH11 ARG 20 HH11 ARG 20 15.131 -4.044 6.475 543 HH12 ARG 20 HH12 ARG 20 16.539 -5.048 6.598 544 HH21 ARG 20 HH21 ARG 20 18.814 -2.425 6.177 545 HH22 ARG 20 HH22 ARG 20 18.630 -4.132 6.431 546 H GLY 21 H GLY 21 11.510 -0.656 1.878 547 HA2 GLY 21 HA2 GLY 21 8.947 -1.121 2.434 548 HA3 GLY 21 HA3 GLY 21 8.942 0.634 2.259 549 H ILE 22 H ILE 22 7.497 0.153 0.309 550 HA ILE 22 HA ILE 22 9.267 -0.447 -1.945 551 HB ILE 22 HB ILE 22 7.656 -1.671 -3.017 552 HG12 ILE 22 HG12 ILE 22 5.601 -0.240 -1.369 553 HG13 ILE 22 HG13 ILE 22 6.023 0.123 -3.005 554 HG21 ILE 22 HG21 ILE 22 6.386 -3.074 -1.348 555 HG22 ILE 22 HG22 ILE 22 7.050 -2.034 -0.087 556 HG23 ILE 22 HG23 ILE 22 8.130 -2.990 -1.102 557 HD11 ILE 22 HD11 ILE 22 3.971 -1.127 -2.931 558 HD12 ILE 22 HD12 ILE 22 4.772 -2.411 -2.029 559 HD13 ILE 22 HD13 ILE 22 5.241 -2.082 -3.700 560 H HIS 23 H HIS 23 7.905 0.368 -3.954 561 HA HIS 23 HA HIS 23 6.746 2.944 -3.600 562 HB2 HIS 23 HB2 HIS 23 8.492 4.231 -4.786 563 HB3 HIS 23 HB3 HIS 23 9.053 3.625 -3.251 564 HD1 HIS 23 HD1 HIS 23 10.040 3.950 -6.684 565 HD2 HIS 23 HD2 HIS 23 10.685 1.231 -3.639 566 HE1 HIS 23 HE1 HIS 23 12.102 2.673 -7.357 567 HE2 HIS 23 HE2 HIS 23 12.512 1.059 -5.466 568 H LEU 24 H LEU 24 5.193 2.932 -5.068 569 HA LEU 24 HA LEU 24 5.355 1.024 -7.223 570 HB2 LEU 24 HB2 LEU 24 3.161 2.806 -6.200 571 HB3 LEU 24 HB3 LEU 24 2.981 1.692 -7.507 572 HG LEU 24 HG LEU 24 3.646 0.884 -4.689 573 HD11 LEU 24 HD11 LEU 24 1.370 1.732 -4.866 574 HD12 LEU 24 HD12 LEU 24 1.368 -0.015 -4.639 575 HD13 LEU 24 HD13 LEU 24 1.068 0.667 -6.236 576 HD21 LEU 24 HD21 LEU 24 2.970 -0.758 -7.125 577 HD22 LEU 24 HD22 LEU 24 3.198 -1.386 -5.493 578 HD23 LEU 24 HD23 LEU 24 4.553 -0.651 -6.351 579 H TYR 25 H TYR 25 4.176 4.323 -6.932 580 HA TYR 25 HA TYR 25 4.937 4.796 -9.682 581 HB2 TYR 25 HB2 TYR 25 3.165 6.348 -7.845 582 HB3 TYR 25 HB3 TYR 25 3.549 6.858 -9.477 583 HD1 TYR 25 HD1 TYR 25 3.055 3.315 -8.727 584 HD2 TYR 25 HD2 TYR 25 1.169 6.867 -10.091 585 HE1 TYR 25 HE1 TYR 25 1.173 1.981 -9.538 586 HE2 TYR 25 HE2 TYR 25 -0.726 5.542 -10.920 587 HH TYR 25 HH TYR 25 -1.152 3.190 -11.648 588 H THR 26 H THR 26 4.666 7.623 -7.840 589 HA THR 26 HA THR 26 7.584 7.737 -7.553 590 HB THR 26 HB THR 26 6.573 9.540 -8.911 591 HG1 THR 26 HG1 THR 26 7.535 10.604 -6.452 592 HG21 THR 26 HG21 THR 26 5.223 10.371 -6.345 593 HG22 THR 26 HG22 THR 26 4.415 9.654 -7.737 594 HG23 THR 26 HG23 THR 26 5.178 11.238 -7.881 595 H LYS 27 H LYS 27 5.115 6.721 -5.789 596 HA LYS 27 HA LYS 27 5.897 8.160 -3.349 597 HB2 LYS 27 HB2 LYS 27 3.719 6.906 -2.510 598 HB3 LYS 27 HB3 LYS 27 3.660 8.463 -3.319 599 HG2 LYS 27 HG2 LYS 27 3.425 5.904 -4.853 600 HG3 LYS 27 HG3 LYS 27 2.028 6.640 -4.057 601 HD2 LYS 27 HD2 LYS 27 3.788 7.857 -6.173 602 HD3 LYS 27 HD3 LYS 27 2.094 7.431 -6.316 603 HE2 LYS 27 HE2 LYS 27 2.147 9.080 -4.112 604 HE3 LYS 27 HE3 LYS 27 3.351 9.794 -5.174 605 HZ1 LYS 27 HZ1 LYS 27 1.815 10.310 -6.764 606 HZ2 LYS 27 HZ2 LYS 27 0.880 10.511 -5.369 607 HZ3 LYS 27 HZ3 LYS 27 0.728 9.101 -6.293 608 H PHE 28 H PHE 28 5.075 6.636 -1.419 609 HA PHE 28 HA PHE 28 6.610 4.166 -1.602 610 HB2 PHE 28 HB2 PHE 28 8.260 5.854 -1.194 611 HB3 PHE 28 HB3 PHE 28 7.279 6.592 0.057 612 HD1 PHE 28 HD1 PHE 28 9.340 3.617 -0.723 613 HD2 PHE 28 HD2 PHE 28 7.306 5.836 2.269 614 HE1 PHE 28 HE1 PHE 28 10.393 2.235 1.024 615 HE2 PHE 28 HE2 PHE 28 8.330 4.463 4.012 616 HZ PHE 28 HZ PHE 28 9.874 2.645 3.414 617 H ILE 29 H ILE 29 5.183 2.742 -0.716 618 HA ILE 29 HA ILE 29 3.914 3.472 1.818 619 HB ILE 29 HB ILE 29 3.899 0.771 0.430 620 HG12 ILE 29 HG12 ILE 29 1.383 1.399 0.167 621 HG13 ILE 29 HG13 ILE 29 1.950 3.056 0.338 622 HG21 ILE 29 HG21 ILE 29 2.134 0.208 2.029 623 HG22 ILE 29 HG22 ILE 29 2.327 1.786 2.791 624 HG23 ILE 29 HG23 ILE 29 3.652 0.617 2.838 625 HD11 ILE 29 HD11 ILE 29 3.244 2.917 -1.620 626 HD12 ILE 29 HD12 ILE 29 1.684 2.188 -2.013 627 HD13 ILE 29 HD13 ILE 29 3.080 1.162 -1.692 628 H CYS 30 H CYS 30 5.113 3.171 3.670 629 HA CYS 30 HA CYS 30 7.642 1.888 3.508 630 HB2 CYS 30 HB2 CYS 30 8.005 2.413 5.713 631 HB3 CYS 30 HB3 CYS 30 6.811 3.625 5.280 632 H LEU 31 H LEU 31 8.299 0.083 4.705 633 HA LEU 31 HA LEU 31 7.139 -2.145 3.654 634 HB2 LEU 31 HB2 LEU 31 8.884 -3.277 4.610 635 HB3 LEU 31 HB3 LEU 31 9.506 -1.669 4.470 636 HG LEU 31 HG LEU 31 8.602 -1.514 6.978 637 HD11 LEU 31 HD11 LEU 31 7.736 -3.795 7.032 638 HD12 LEU 31 HD12 LEU 31 9.055 -3.585 8.182 639 HD13 LEU 31 HD13 LEU 31 9.342 -4.419 6.656 640 HD21 LEU 31 HD21 LEU 31 11.218 -2.754 6.148 641 HD22 LEU 31 HD22 LEU 31 10.878 -2.030 7.719 642 HD23 LEU 31 HD23 LEU 31 10.869 -1.030 6.265 643 H ASP 32 H ASP 32 6.366 -0.591 6.590 644 HA ASP 32 HA ASP 32 5.361 -2.958 7.917 645 HB2 ASP 32 HB2 ASP 32 6.402 -0.853 9.014 646 HB3 ASP 32 HB3 ASP 32 4.812 -0.169 8.772 647 H CYS 33 H CYS 33 4.233 -0.086 6.406 648 HA CYS 33 HA CYS 33 1.467 -0.624 6.679 649 HB2 CYS 33 HB2 CYS 33 2.866 1.372 4.909 650 HB3 CYS 33 HB3 CYS 33 1.151 1.239 5.147 651 H GLU 34 H GLU 34 3.926 -1.146 4.333 652 HA GLU 34 HA GLU 34 2.377 -1.869 2.162 653 HB2 GLU 34 HB2 GLU 34 4.823 -1.431 2.124 654 HB3 GLU 34 HB3 GLU 34 5.088 -2.962 2.905 655 HG2 GLU 34 HG2 GLU 34 3.638 -2.870 0.339 656 HG3 GLU 34 HG3 GLU 34 5.376 -2.760 0.365 657 H ARG 35 H ARG 35 3.562 -3.804 4.849 658 HA ARG 35 HA ARG 35 2.124 -6.099 3.908 659 HB2 ARG 35 HB2 ARG 35 2.643 -7.156 6.077 660 HB3 ARG 35 HB3 ARG 35 4.072 -6.516 5.283 661 HG2 ARG 35 HG2 ARG 35 3.978 -4.550 6.748 662 HG3 ARG 35 HG3 ARG 35 2.595 -5.258 7.562 663 HD2 ARG 35 HD2 ARG 35 3.919 -7.154 8.246 664 HD3 ARG 35 HD3 ARG 35 5.297 -6.491 7.386 665 HE ARG 35 HE ARG 35 4.462 -4.548 9.170 666 HH11 ARG 35 HH11 ARG 35 5.720 -7.804 9.318 667 HH12 ARG 35 HH12 ARG 35 6.535 -7.556 10.829 668 HH21 ARG 35 HH21 ARG 35 5.542 -4.204 11.150 669 HH22 ARG 35 HH22 ARG 35 6.421 -5.520 11.877 670 H LYS 36 H LYS 36 1.293 -3.366 5.774 671 HA LYS 36 HA LYS 36 -0.774 -4.405 7.361 672 HB2 LYS 36 HB2 LYS 36 -0.435 -1.672 6.228 673 HB3 LYS 36 HB3 LYS 36 -1.656 -2.094 7.395 674 HG2 LYS 36 HG2 LYS 36 0.218 -2.682 8.935 675 HG3 LYS 36 HG3 LYS 36 1.313 -2.022 7.784 676 HD2 LYS 36 HD2 LYS 36 0.255 0.055 7.989 677 HD3 LYS 36 HD3 LYS 36 -0.985 -0.571 9.035 678 HE2 LYS 36 HE2 LYS 36 1.959 -0.514 9.663 679 HE3 LYS 36 HE3 LYS 36 0.793 0.677 10.220 680 HZ1 LYS 36 HZ1 LYS 36 1.220 -0.995 11.905 681 HZ2 LYS 36 HZ2 LYS 36 0.724 -2.218 10.850 682 HZ3 LYS 36 HZ3 LYS 36 -0.390 -1.069 11.392 683 H VAL 37 H VAL 37 -0.529 -3.081 4.185 684 HA VAL 37 HA VAL 37 -3.198 -2.851 3.575 685 HB VAL 37 HB VAL 37 -2.560 -2.893 1.232 686 HG11 VAL 37 HG11 VAL 37 -1.176 -0.948 1.207 687 HG12 VAL 37 HG12 VAL 37 -0.475 -1.365 2.771 688 HG13 VAL 37 HG13 VAL 37 -2.164 -0.856 2.666 689 HG21 VAL 37 HG21 VAL 37 -0.014 -3.978 2.289 690 HG22 VAL 37 HG22 VAL 37 -0.029 -3.025 0.804 691 HG23 VAL 37 HG23 VAL 37 -0.986 -4.503 0.908 692 H ILE 38 H ILE 38 -1.011 -5.490 2.930 693 HA ILE 38 HA ILE 38 -2.724 -7.199 1.545 694 HB ILE 38 HB ILE 38 -0.600 -8.267 3.377 695 HG12 ILE 38 HG12 ILE 38 -0.118 -6.666 0.872 696 HG13 ILE 38 HG13 ILE 38 0.565 -6.418 2.461 697 HG21 ILE 38 HG21 ILE 38 -1.612 -9.025 0.658 698 HG22 ILE 38 HG22 ILE 38 -1.797 -9.913 2.166 699 HG23 ILE 38 HG23 ILE 38 -0.207 -9.769 1.415 700 HD11 ILE 38 HD11 ILE 38 2.060 -8.170 2.232 701 HD12 ILE 38 HD12 ILE 38 2.036 -7.441 0.621 702 HD13 ILE 38 HD13 ILE 38 1.132 -8.920 0.938 703 H SER 39 H SER 39 -2.119 -6.537 4.874 704 HA SER 39 HA SER 39 -3.427 -8.887 5.762 705 HB2 SER 39 HB2 SER 39 -1.540 -7.987 7.037 706 HB3 SER 39 HB3 SER 39 -2.438 -6.501 7.333 707 HG SER 39 HG SER 39 -3.529 -8.974 8.116 708 H THR 40 H THR 40 -4.219 -5.579 5.256 709 HA THR 40 HA THR 40 -6.695 -5.607 6.722 710 HB THR 40 HB THR 40 -5.540 -3.609 4.764 711 HG1 THR 40 HG1 THR 40 -4.322 -3.846 6.689 712 HG21 THR 40 HG21 THR 40 -8.013 -3.448 4.994 713 HG22 THR 40 HG22 THR 40 -7.151 -2.023 5.574 714 HG23 THR 40 HG23 THR 40 -7.794 -3.195 6.728 715 H SER 41 H SER 41 -5.673 -5.875 3.360 716 HA SER 41 HA SER 41 -8.281 -5.562 2.278 717 HB2 SER 41 HB2 SER 41 -6.165 -4.948 1.140 718 HB3 SER 41 HB3 SER 41 -5.884 -6.662 0.945 719 HG SER 41 HG SER 41 -6.896 -5.560 -0.878 720 H THR 42 H THR 42 -6.307 -8.340 3.129 721 HA THR 42 HA THR 42 -7.947 -10.174 1.634 722 HB THR 42 HB THR 42 -6.546 -11.934 2.731 723 HG1 THR 42 HG1 THR 42 -4.721 -10.063 3.649 724 HG21 THR 42 HG21 THR 42 -4.481 -11.332 1.555 725 HG22 THR 42 HG22 THR 42 -5.037 -9.664 1.425 726 HG23 THR 42 HG23 THR 42 -5.899 -10.950 0.581 727 H SER 43 H SER 43 -9.515 -8.736 3.381 728 HA SER 43 HA SER 43 -10.767 -10.891 4.839 729 HB2 SER 43 HB2 SER 43 -9.910 -8.366 6.281 730 HB3 SER 43 HB3 SER 43 -10.899 -9.654 6.964 731 HG SER 43 HG SER 43 -8.609 -10.644 5.915 732 H ASP 44 H ASP 44 -11.372 -9.275 2.513 733 HA ASP 44 HA ASP 44 -13.805 -7.942 3.486 734 HB2 ASP 44 HB2 ASP 44 -12.151 -6.201 2.977 735 HB3 ASP 44 HB3 ASP 44 -11.961 -6.856 1.354 736 HA PRO 45 HA PRO 45 -15.191 -10.588 0.047 737 HB2 PRO 45 HB2 PRO 45 -17.230 -11.739 1.373 738 HB3 PRO 45 HB3 PRO 45 -15.600 -12.320 1.523 739 HG2 PRO 45 HG2 PRO 45 -17.145 -10.768 3.369 740 HG3 PRO 45 HG3 PRO 45 -15.944 -11.981 3.710 741 HD2 PRO 45 HD2 PRO 45 -15.565 -9.214 3.835 742 HD3 PRO 45 HD3 PRO 45 -14.293 -10.438 3.768 743 H ASP 46 H ASP 46 -17.278 -10.549 -1.010 744 HA ASP 46 HA ASP 46 -18.539 -9.048 -2.209 745 HB2 ASP 46 HB2 ASP 46 -20.807 -9.081 -1.129 746 HB3 ASP 46 HB3 ASP 46 -20.046 -10.630 -1.404 747 H TYR 47 H TYR 47 -20.053 -7.824 0.700 748 HA TYR 47 HA TYR 47 -18.945 -5.180 0.119 749 HB2 TYR 47 HB2 TYR 47 -21.847 -5.849 0.477 750 HB3 TYR 47 HB3 TYR 47 -21.200 -4.229 0.383 751 HD1 TYR 47 HD1 TYR 47 -22.619 -6.887 -1.434 752 HD2 TYR 47 HD2 TYR 47 -19.854 -3.675 -1.801 753 HE1 TYR 47 HE1 TYR 47 -22.885 -6.945 -3.874 754 HE2 TYR 47 HE2 TYR 47 -20.113 -3.725 -4.246 755 HH TYR 47 HH TYR 47 -22.612 -5.402 -5.783 756 H ALA 48 H ALA 48 -18.760 -3.819 1.849 757 HA ALA 48 HA ALA 48 -19.968 -4.574 4.399 758 HB1 ALA 48 HB1 ALA 48 -17.845 -4.015 5.583 759 HB2 ALA 48 HB2 ALA 48 -17.034 -3.990 4.017 760 HB3 ALA 48 HB3 ALA 48 -17.761 -5.481 4.610 Start of MODEL 8 1 H1 SER 0 H1 SER 0 5.011 19.814 -2.631 2 H2 SER 0 H2 SER 0 4.113 18.708 -1.724 3 H3 SER 0 H3 SER 0 4.950 19.963 -0.948 4 HA SER 0 HA SER 0 2.568 20.386 -1.082 5 HB2 SER 0 HB2 SER 0 2.843 22.658 -2.224 6 HB3 SER 0 HB3 SER 0 3.948 22.306 -0.897 7 HG SER 0 HG SER 0 5.037 23.166 -2.708 8 H MET 1 H MET 1 1.150 21.726 -2.820 9 HA MET 1 HA MET 1 -0.063 21.773 -4.735 10 HB2 MET 1 HB2 MET 1 2.116 20.019 -5.868 11 HB3 MET 1 HB3 MET 1 0.784 20.682 -6.801 12 HG2 MET 1 HG2 MET 1 1.552 22.933 -6.346 13 HG3 MET 1 HG3 MET 1 2.855 22.303 -5.340 14 HE1 MET 1 HE1 MET 1 4.822 20.799 -6.269 15 HE2 MET 1 HE2 MET 1 5.062 20.418 -7.973 16 HE3 MET 1 HE3 MET 1 3.713 19.704 -7.091 17 H ASP 2 H ASP 2 1.232 18.529 -4.123 18 HA ASP 2 HA ASP 2 -0.928 17.088 -5.185 19 HB2 ASP 2 HB2 ASP 2 1.242 16.061 -4.734 20 HB3 ASP 2 HB3 ASP 2 1.019 16.310 -3.006 21 H GLU 3 H GLU 3 -2.960 17.183 -4.541 22 HA GLU 3 HA GLU 3 -3.529 16.982 -1.674 23 HB2 GLU 3 HB2 GLU 3 -3.810 19.341 -2.352 24 HB3 GLU 3 HB3 GLU 3 -4.959 18.837 -3.583 25 HG2 GLU 3 HG2 GLU 3 -6.519 18.113 -1.942 26 HG3 GLU 3 HG3 GLU 3 -5.339 18.326 -0.649 27 H THR 4 H THR 4 -5.020 15.473 -1.211 28 HA THR 4 HA THR 4 -6.419 14.240 -3.488 29 HB THR 4 HB THR 4 -6.077 12.055 -2.185 30 HG1 THR 4 HG1 THR 4 -3.866 13.445 -1.077 31 HG21 THR 4 HG21 THR 4 -3.837 11.703 -3.140 32 HG22 THR 4 HG22 THR 4 -3.679 13.442 -3.394 33 HG23 THR 4 HG23 THR 4 -4.905 12.529 -4.275 34 H VAL 5 H VAL 5 -7.966 12.457 -2.450 35 HA VAL 5 HA VAL 5 -9.615 11.779 -1.057 36 HB VAL 5 HB VAL 5 -8.945 14.180 0.648 37 HG11 VAL 5 HG11 VAL 5 -11.287 13.540 0.912 38 HG12 VAL 5 HG12 VAL 5 -10.354 13.135 2.352 39 HG13 VAL 5 HG13 VAL 5 -10.804 11.870 1.209 40 HG21 VAL 5 HG21 VAL 5 -8.349 11.243 1.003 41 HG22 VAL 5 HG22 VAL 5 -7.977 12.516 2.165 42 HG23 VAL 5 HG23 VAL 5 -7.180 12.498 0.592 43 H LYS 6 H LYS 6 -11.117 11.982 -2.580 44 HA LYS 6 HA LYS 6 -12.882 14.323 -2.361 45 HB2 LYS 6 HB2 LYS 6 -12.262 12.589 -4.721 46 HB3 LYS 6 HB3 LYS 6 -13.727 13.537 -4.661 47 HG2 LYS 6 HG2 LYS 6 -12.229 14.806 -5.918 48 HG3 LYS 6 HG3 LYS 6 -12.207 15.536 -4.319 49 HD2 LYS 6 HD2 LYS 6 -10.117 14.542 -3.798 50 HD3 LYS 6 HD3 LYS 6 -10.184 13.501 -5.216 51 HE2 LYS 6 HE2 LYS 6 -8.636 15.327 -5.578 52 HE3 LYS 6 HE3 LYS 6 -10.024 15.472 -6.645 53 HZ1 LYS 6 HZ1 LYS 6 -10.953 17.140 -5.170 54 HZ2 LYS 6 HZ2 LYS 6 -9.410 17.600 -5.686 55 HZ3 LYS 6 HZ3 LYS 6 -9.630 16.988 -4.128 56 H LEU 7 H LEU 7 -15.098 13.091 -3.684 57 HA LEU 7 HA LEU 7 -16.366 11.642 -1.679 58 HB2 LEU 7 HB2 LEU 7 -17.577 12.723 -3.482 59 HB3 LEU 7 HB3 LEU 7 -16.871 11.619 -4.617 60 HG LEU 7 HG LEU 7 -18.048 9.747 -3.451 61 HD11 LEU 7 HD11 LEU 7 -18.388 10.836 -1.330 62 HD12 LEU 7 HD12 LEU 7 -19.942 10.383 -2.030 63 HD13 LEU 7 HD13 LEU 7 -19.397 12.059 -2.094 64 HD21 LEU 7 HD21 LEU 7 -19.745 11.941 -4.639 65 HD22 LEU 7 HD22 LEU 7 -20.222 10.252 -4.462 66 HD23 LEU 7 HD23 LEU 7 -18.891 10.685 -5.536 67 H ASN 8 H ASN 8 -15.376 10.274 -4.796 68 HA ASN 8 HA ASN 8 -14.845 7.628 -3.841 69 HB2 ASN 8 HB2 ASN 8 -13.961 9.217 -6.247 70 HB3 ASN 8 HB3 ASN 8 -13.377 7.594 -5.967 71 HD21 ASN 8 HD21 ASN 8 -14.308 6.885 -7.861 72 HD22 ASN 8 HD22 ASN 8 -16.012 6.655 -8.023 73 H HIS 9 H HIS 9 -13.274 7.161 -2.418 74 HA HIS 9 HA HIS 9 -11.422 8.968 -1.426 75 HB2 HIS 9 HB2 HIS 9 -10.884 6.014 -1.583 76 HB3 HIS 9 HB3 HIS 9 -10.265 7.146 -0.401 77 HD1 HIS 9 HD1 HIS 9 -12.274 8.247 1.170 78 HD2 HIS 9 HD2 HIS 9 -13.032 4.618 -0.713 79 HE1 HIS 9 HE1 HIS 9 -14.176 7.211 2.440 80 HE2 HIS 9 HE2 HIS 9 -14.695 5.073 1.213 81 H THR 10 H THR 10 -9.640 9.805 -2.233 82 HA THR 10 HA THR 10 -8.800 8.976 -4.861 83 HB THR 10 HB THR 10 -7.489 11.087 -3.152 84 HG1 THR 10 HG1 THR 10 -9.899 11.163 -4.649 85 HG21 THR 10 HG21 THR 10 -6.961 12.099 -5.331 86 HG22 THR 10 HG22 THR 10 -7.758 10.751 -6.142 87 HG23 THR 10 HG23 THR 10 -6.297 10.472 -5.194 88 H CYS 11 H CYS 11 -7.059 7.843 -5.358 89 HA CYS 11 HA CYS 11 -5.874 6.263 -3.346 90 HB2 CYS 11 HB2 CYS 11 -6.233 5.630 -5.730 91 HB3 CYS 11 HB3 CYS 11 -4.900 6.688 -6.142 92 H VAL 12 H VAL 12 -4.362 6.734 -2.013 93 HA VAL 12 HA VAL 12 -2.548 8.741 -1.953 94 HB VAL 12 HB VAL 12 -3.234 6.685 -0.408 95 HG11 VAL 12 HG11 VAL 12 -2.054 4.952 -1.508 96 HG12 VAL 12 HG12 VAL 12 -1.337 5.256 0.078 97 HG13 VAL 12 HG13 VAL 12 -0.545 5.854 -1.387 98 HG21 VAL 12 HG21 VAL 12 -1.282 7.271 0.998 99 HG22 VAL 12 HG22 VAL 12 -2.406 8.539 0.514 100 HG23 VAL 12 HG23 VAL 12 -0.850 8.383 -0.298 101 H ILE 13 H ILE 13 -2.657 6.200 -4.220 102 HA ILE 13 HA ILE 13 0.210 6.356 -4.730 103 HB ILE 13 HB ILE 13 -1.717 4.366 -5.830 104 HG12 ILE 13 HG12 ILE 13 -1.577 4.411 -3.303 105 HG13 ILE 13 HG13 ILE 13 -1.165 2.899 -4.081 106 HG21 ILE 13 HG21 ILE 13 0.282 3.083 -6.263 107 HG22 ILE 13 HG22 ILE 13 1.267 4.355 -5.548 108 HG23 ILE 13 HG23 ILE 13 0.375 4.663 -7.038 109 HD11 ILE 13 HD11 ILE 13 0.847 4.929 -3.219 110 HD12 ILE 13 HD12 ILE 13 1.142 3.282 -3.799 111 HD13 ILE 13 HD13 ILE 13 0.340 3.546 -2.246 112 H CYS 14 H CYS 14 -2.731 5.907 -6.703 113 HA CYS 14 HA CYS 14 -1.266 6.988 -8.934 114 HB2 CYS 14 HB2 CYS 14 -3.049 5.974 -10.313 115 HB3 CYS 14 HB3 CYS 14 -2.189 4.819 -9.319 116 H ASP 15 H ASP 15 -3.083 8.294 -6.673 117 HA ASP 15 HA ASP 15 -4.210 10.258 -6.417 118 HB2 ASP 15 HB2 ASP 15 -2.198 10.999 -7.666 119 HB3 ASP 15 HB3 ASP 15 -3.143 10.952 -9.138 120 H GLN 16 H GLN 16 -5.497 8.064 -7.714 121 HA GLN 16 HA GLN 16 -7.458 9.392 -9.411 122 HB2 GLN 16 HB2 GLN 16 -6.883 6.457 -9.042 123 HB3 GLN 16 HB3 GLN 16 -8.102 7.124 -10.123 124 HG2 GLN 16 HG2 GLN 16 -5.135 7.584 -10.304 125 HG3 GLN 16 HG3 GLN 16 -6.077 6.506 -11.323 126 HE21 GLN 16 HE21 GLN 16 -4.438 8.787 -12.014 127 HE22 GLN 16 HE22 GLN 16 -5.470 9.863 -12.876 128 H GLU 17 H GLU 17 -9.548 9.375 -8.919 129 HA GLU 17 HA GLU 17 -10.311 9.056 -6.185 130 HB2 GLU 17 HB2 GLU 17 -11.967 9.836 -8.588 131 HB3 GLU 17 HB3 GLU 17 -12.465 9.954 -6.916 132 HG2 GLU 17 HG2 GLU 17 -10.930 11.640 -6.448 133 HG3 GLU 17 HG3 GLU 17 -10.071 11.376 -7.957 134 H LYS 18 H LYS 18 -10.607 7.112 -5.522 135 HA LYS 18 HA LYS 18 -12.070 5.188 -7.185 136 HB2 LYS 18 HB2 LYS 18 -10.115 4.276 -5.178 137 HB3 LYS 18 HB3 LYS 18 -10.666 3.463 -6.609 138 HG2 LYS 18 HG2 LYS 18 -8.707 5.725 -6.453 139 HG3 LYS 18 HG3 LYS 18 -8.379 4.059 -6.904 140 HD2 LYS 18 HD2 LYS 18 -10.290 5.717 -8.457 141 HD3 LYS 18 HD3 LYS 18 -8.580 5.829 -8.731 142 HE2 LYS 18 HE2 LYS 18 -9.518 4.327 -10.322 143 HE3 LYS 18 HE3 LYS 18 -8.537 3.445 -9.178 144 HZ1 LYS 18 HZ1 LYS 18 -11.476 3.636 -8.966 145 HZ2 LYS 18 HZ2 LYS 18 -10.453 2.596 -8.108 146 HZ3 LYS 18 HZ3 LYS 18 -10.685 2.374 -9.765 147 H ASN 19 H ASN 19 -13.902 4.502 -6.292 148 HA ASN 19 HA ASN 19 -14.383 5.123 -3.505 149 HB2 ASN 19 HB2 ASN 19 -16.668 4.593 -3.918 150 HB3 ASN 19 HB3 ASN 19 -16.097 5.490 -5.316 151 HD21 ASN 19 HD21 ASN 19 -17.233 2.446 -4.133 152 HD22 ASN 19 HD22 ASN 19 -17.399 1.673 -5.704 153 H ARG 20 H ARG 20 -12.798 2.739 -5.016 154 HA ARG 20 HA ARG 20 -13.496 0.732 -2.984 155 HB2 ARG 20 HB2 ARG 20 -13.091 0.347 -5.921 156 HB3 ARG 20 HB3 ARG 20 -12.754 -0.963 -4.806 157 HG2 ARG 20 HG2 ARG 20 -15.071 -0.771 -3.982 158 HG3 ARG 20 HG3 ARG 20 -15.386 0.410 -5.244 159 HD2 ARG 20 HD2 ARG 20 -14.445 -1.375 -6.783 160 HD3 ARG 20 HD3 ARG 20 -14.682 -2.486 -5.459 161 HE ARG 20 HE ARG 20 -17.112 -1.434 -5.660 162 HH11 ARG 20 HH11 ARG 20 -14.932 -2.534 -8.156 163 HH12 ARG 20 HH12 ARG 20 -16.196 -3.096 -9.202 164 HH21 ARG 20 HH21 ARG 20 -18.808 -2.191 -7.035 165 HH22 ARG 20 HH22 ARG 20 -18.390 -2.896 -8.568 166 H GLY 21 H GLY 21 -11.833 -0.229 -1.968 167 HA2 GLY 21 HA2 GLY 21 -9.347 -0.939 -2.593 168 HA3 GLY 21 HA3 GLY 21 -9.126 0.796 -2.406 169 H ILE 22 H ILE 22 -7.703 0.255 -0.472 170 HA ILE 22 HA ILE 22 -9.393 -0.500 1.810 171 HB ILE 22 HB ILE 22 -7.677 -1.648 2.844 172 HG12 ILE 22 HG12 ILE 22 -5.738 -0.238 1.045 173 HG13 ILE 22 HG13 ILE 22 -6.095 0.209 2.680 174 HG21 ILE 22 HG21 ILE 22 -8.279 -2.990 0.968 175 HG22 ILE 22 HG22 ILE 22 -6.521 -3.100 1.147 176 HG23 ILE 22 HG23 ILE 22 -7.225 -2.069 -0.104 177 HD11 ILE 22 HD11 ILE 22 -4.923 -2.429 1.884 178 HD12 ILE 22 HD12 ILE 22 -5.131 -1.791 3.526 179 HD13 ILE 22 HD13 ILE 22 -3.986 -1.033 2.423 180 H HIS 23 H HIS 23 -7.874 0.242 3.824 181 HA HIS 23 HA HIS 23 -7.164 3.011 3.441 182 HB2 HIS 23 HB2 HIS 23 -8.762 3.819 5.183 183 HB3 HIS 23 HB3 HIS 23 -9.530 3.293 3.705 184 HD1 HIS 23 HD1 HIS 23 -9.338 2.580 7.350 185 HD2 HIS 23 HD2 HIS 23 -11.052 0.977 3.942 186 HE1 HIS 23 HE1 HIS 23 -11.050 0.939 8.176 187 HE2 HIS 23 HE2 HIS 23 -11.989 -0.122 6.094 188 H LEU 24 H LEU 24 -5.221 2.901 4.290 189 HA LEU 24 HA LEU 24 -4.849 1.737 6.941 190 HB2 LEU 24 HB2 LEU 24 -3.071 2.501 4.709 191 HB3 LEU 24 HB3 LEU 24 -2.477 2.919 6.267 192 HG LEU 24 HG LEU 24 -2.602 0.528 6.893 193 HD11 LEU 24 HD11 LEU 24 -3.370 0.144 4.076 194 HD12 LEU 24 HD12 LEU 24 -4.230 -0.370 5.531 195 HD13 LEU 24 HD13 LEU 24 -2.675 -1.107 5.113 196 HD21 LEU 24 HD21 LEU 24 -0.755 -0.177 5.313 197 HD22 LEU 24 HD22 LEU 24 -0.494 1.251 6.307 198 HD23 LEU 24 HD23 LEU 24 -0.940 1.426 4.609 199 H TYR 25 H TYR 25 -4.996 3.045 8.672 200 HA TYR 25 HA TYR 25 -4.965 4.917 9.972 201 HB2 TYR 25 HB2 TYR 25 -3.362 6.233 7.819 202 HB3 TYR 25 HB3 TYR 25 -3.391 6.662 9.515 203 HD1 TYR 25 HD1 TYR 25 -1.094 6.434 10.129 204 HD2 TYR 25 HD2 TYR 25 -2.995 3.305 8.001 205 HE1 TYR 25 HE1 TYR 25 0.866 5.004 10.475 206 HE2 TYR 25 HE2 TYR 25 -1.074 1.867 8.276 207 HH TYR 25 HH TYR 25 1.409 2.630 10.552 208 H THR 26 H THR 26 -4.605 7.428 7.918 209 HA THR 26 HA THR 26 -7.496 7.680 7.499 210 HB THR 26 HB THR 26 -6.926 9.485 8.819 211 HG1 THR 26 HG1 THR 26 -7.294 10.069 6.221 212 HG21 THR 26 HG21 THR 26 -4.871 10.768 8.663 213 HG22 THR 26 HG22 THR 26 -4.377 9.829 7.254 214 HG23 THR 26 HG23 THR 26 -4.527 9.042 8.828 215 H LYS 27 H LYS 27 -5.194 6.399 5.773 216 HA LYS 27 HA LYS 27 -5.507 8.134 3.411 217 HB2 LYS 27 HB2 LYS 27 -3.634 5.900 3.153 218 HB3 LYS 27 HB3 LYS 27 -3.492 7.551 2.595 219 HG2 LYS 27 HG2 LYS 27 -2.813 6.413 5.252 220 HG3 LYS 27 HG3 LYS 27 -1.762 7.182 4.088 221 HD2 LYS 27 HD2 LYS 27 -3.927 8.565 5.649 222 HD3 LYS 27 HD3 LYS 27 -2.191 8.670 5.973 223 HE2 LYS 27 HE2 LYS 27 -2.085 9.409 3.468 224 HE3 LYS 27 HE3 LYS 27 -3.784 9.804 3.726 225 HZ1 LYS 27 HZ1 LYS 27 -1.952 10.755 5.770 226 HZ2 LYS 27 HZ2 LYS 27 -3.289 11.527 5.071 227 HZ3 LYS 27 HZ3 LYS 27 -1.806 11.491 4.261 228 H PHE 28 H PHE 28 -4.964 6.610 1.436 229 HA PHE 28 HA PHE 28 -6.761 4.333 1.399 230 HB2 PHE 28 HB2 PHE 28 -8.245 6.199 0.968 231 HB3 PHE 28 HB3 PHE 28 -7.156 6.831 -0.261 232 HD1 PHE 28 HD1 PHE 28 -7.368 6.176 -2.476 233 HD2 PHE 28 HD2 PHE 28 -9.243 3.892 0.575 234 HE1 PHE 28 HE1 PHE 28 -8.460 4.802 -4.190 235 HE2 PHE 28 HE2 PHE 28 -10.350 2.514 -1.136 236 HZ PHE 28 HZ PHE 28 -9.947 2.956 -3.536 237 H ILE 29 H ILE 29 -5.274 2.912 0.637 238 HA ILE 29 HA ILE 29 -3.949 3.605 -1.877 239 HB ILE 29 HB ILE 29 -4.012 0.898 -0.484 240 HG12 ILE 29 HG12 ILE 29 -1.488 1.398 -0.236 241 HG13 ILE 29 HG13 ILE 29 -1.943 3.085 -0.447 242 HG21 ILE 29 HG21 ILE 29 -2.431 1.856 -2.865 243 HG22 ILE 29 HG22 ILE 29 -3.784 0.721 -2.890 244 HG23 ILE 29 HG23 ILE 29 -2.268 0.277 -2.096 245 HD11 ILE 29 HD11 ILE 29 -1.717 2.330 1.908 246 HD12 ILE 29 HD12 ILE 29 -3.112 1.281 1.648 247 HD13 ILE 29 HD13 ILE 29 -3.290 3.030 1.515 248 H CYS 30 H CYS 30 -5.188 3.338 -3.723 249 HA CYS 30 HA CYS 30 -7.734 2.103 -3.562 250 HB2 CYS 30 HB2 CYS 30 -8.061 2.557 -5.782 251 HB3 CYS 30 HB3 CYS 30 -6.846 3.764 -5.379 252 H LEU 31 H LEU 31 -8.455 0.280 -4.651 253 HA LEU 31 HA LEU 31 -7.349 -1.976 -3.593 254 HB2 LEU 31 HB2 LEU 31 -9.162 -3.038 -4.475 255 HB3 LEU 31 HB3 LEU 31 -9.707 -1.394 -4.457 256 HG LEU 31 HG LEU 31 -8.771 -1.460 -6.954 257 HD11 LEU 31 HD11 LEU 31 -9.654 -4.295 -6.432 258 HD12 LEU 31 HD12 LEU 31 -8.020 -3.775 -6.840 259 HD13 LEU 31 HD13 LEU 31 -9.321 -3.587 -8.014 260 HD21 LEU 31 HD21 LEU 31 -11.010 -0.809 -6.294 261 HD22 LEU 31 HD22 LEU 31 -11.453 -2.499 -6.058 262 HD23 LEU 31 HD23 LEU 31 -11.071 -1.903 -7.674 263 H ASP 32 H ASP 32 -6.494 -0.443 -6.493 264 HA ASP 32 HA ASP 32 -5.614 -2.852 -7.848 265 HB2 ASP 32 HB2 ASP 32 -6.600 -0.691 -8.928 266 HB3 ASP 32 HB3 ASP 32 -4.956 -0.106 -8.757 267 H CYS 33 H CYS 33 -4.291 0.038 -6.486 268 HA CYS 33 HA CYS 33 -1.554 -0.604 -6.692 269 HB2 CYS 33 HB2 CYS 33 -3.014 1.408 -4.981 270 HB3 CYS 33 HB3 CYS 33 -1.277 1.284 -5.118 271 H GLU 34 H GLU 34 -4.070 -1.016 -4.381 272 HA GLU 34 HA GLU 34 -2.597 -1.793 -2.181 273 HB2 GLU 34 HB2 GLU 34 -4.893 -1.306 -1.934 274 HB3 GLU 34 HB3 GLU 34 -5.351 -2.442 -3.158 275 HG2 GLU 34 HG2 GLU 34 -4.049 -3.638 -0.855 276 HG3 GLU 34 HG3 GLU 34 -5.576 -2.866 -0.521 277 H ARG 35 H ARG 35 -3.850 -3.658 -4.858 278 HA ARG 35 HA ARG 35 -2.516 -6.022 -3.959 279 HB2 ARG 35 HB2 ARG 35 -3.362 -7.151 -5.833 280 HB3 ARG 35 HB3 ARG 35 -4.608 -5.991 -5.418 281 HG2 ARG 35 HG2 ARG 35 -3.574 -4.498 -7.202 282 HG3 ARG 35 HG3 ARG 35 -2.705 -5.934 -7.718 283 HD2 ARG 35 HD2 ARG 35 -5.632 -5.462 -7.680 284 HD3 ARG 35 HD3 ARG 35 -4.619 -5.883 -9.048 285 HE ARG 35 HE ARG 35 -4.327 -8.033 -7.496 286 HH11 ARG 35 HH11 ARG 35 -7.181 -6.290 -8.521 287 HH12 ARG 35 HH12 ARG 35 -8.227 -7.668 -8.393 288 HH21 ARG 35 HH21 ARG 35 -5.704 -9.854 -7.312 289 HH22 ARG 35 HH22 ARG 35 -7.391 -9.695 -7.693 290 H LYS 36 H LYS 36 -1.569 -3.350 -5.862 291 HA LYS 36 HA LYS 36 0.372 -4.521 -7.520 292 HB2 LYS 36 HB2 LYS 36 0.082 -1.754 -6.392 293 HB3 LYS 36 HB3 LYS 36 1.302 -2.196 -7.544 294 HG2 LYS 36 HG2 LYS 36 -0.625 -2.834 -9.053 295 HG3 LYS 36 HG3 LYS 36 -1.643 -2.032 -7.926 296 HD2 LYS 36 HD2 LYS 36 -0.540 -0.039 -8.310 297 HD3 LYS 36 HD3 LYS 36 0.735 -0.783 -9.238 298 HE2 LYS 36 HE2 LYS 36 -2.170 -0.652 -10.003 299 HE3 LYS 36 HE3 LYS 36 -0.908 0.396 -10.643 300 HZ1 LYS 36 HZ1 LYS 36 0.207 -1.585 -11.511 301 HZ2 LYS 36 HZ2 LYS 36 -1.339 -1.392 -12.165 302 HZ3 LYS 36 HZ3 LYS 36 -1.070 -2.549 -10.963 303 H VAL 37 H VAL 37 0.310 -3.032 -4.423 304 HA VAL 37 HA VAL 37 2.989 -2.889 -3.865 305 HB VAL 37 HB VAL 37 2.374 -2.818 -1.524 306 HG11 VAL 37 HG11 VAL 37 1.411 -0.736 -1.626 307 HG12 VAL 37 HG12 VAL 37 0.198 -1.255 -2.802 308 HG13 VAL 37 HG13 VAL 37 1.856 -0.928 -3.331 309 HG21 VAL 37 HG21 VAL 37 -0.219 -3.850 -2.531 310 HG22 VAL 37 HG22 VAL 37 -0.151 -2.865 -1.064 311 HG23 VAL 37 HG23 VAL 37 0.757 -4.375 -1.153 312 H ILE 38 H ILE 38 0.727 -5.444 -3.194 313 HA ILE 38 HA ILE 38 2.335 -7.153 -1.684 314 HB ILE 38 HB ILE 38 0.236 -8.133 -3.600 315 HG12 ILE 38 HG12 ILE 38 -0.166 -6.606 -1.045 316 HG13 ILE 38 HG13 ILE 38 -0.859 -6.289 -2.617 317 HG21 ILE 38 HG21 ILE 38 -0.220 -9.744 -1.783 318 HG22 ILE 38 HG22 ILE 38 1.128 -9.052 -0.885 319 HG23 ILE 38 HG23 ILE 38 1.417 -9.853 -2.426 320 HD11 ILE 38 HD11 ILE 38 -1.516 -8.796 -1.142 321 HD12 ILE 38 HD12 ILE 38 -2.427 -7.977 -2.410 322 HD13 ILE 38 HD13 ILE 38 -2.346 -7.284 -0.788 323 H SER 39 H SER 39 1.923 -6.545 -5.036 324 HA SER 39 HA SER 39 3.307 -8.832 -5.913 325 HB2 SER 39 HB2 SER 39 1.596 -7.746 -7.307 326 HB3 SER 39 HB3 SER 39 2.606 -6.307 -7.416 327 HG SER 39 HG SER 39 3.623 -8.803 -8.226 328 H THR 40 H THR 40 4.102 -5.512 -5.272 329 HA THR 40 HA THR 40 6.815 -5.669 -6.247 330 HB THR 40 HB THR 40 5.517 -3.558 -4.516 331 HG1 THR 40 HG1 THR 40 4.380 -3.959 -6.524 332 HG21 THR 40 HG21 THR 40 7.183 -2.060 -5.441 333 HG22 THR 40 HG22 THR 40 7.846 -3.365 -6.425 334 HG23 THR 40 HG23 THR 40 7.975 -3.431 -4.667 335 H SER 41 H SER 41 5.109 -6.273 -3.366 336 HA SER 41 HA SER 41 7.110 -5.818 -1.443 337 HB2 SER 41 HB2 SER 41 4.949 -5.668 -0.667 338 HB3 SER 41 HB3 SER 41 4.487 -7.142 -1.470 339 HG SER 41 HG SER 41 5.279 -6.804 1.031 340 H THR 42 H THR 42 6.832 -8.224 -3.712 341 HA THR 42 HA THR 42 7.608 -10.507 -2.210 342 HB THR 42 HB THR 42 7.907 -11.577 -4.393 343 HG1 THR 42 HG1 THR 42 8.521 -10.321 -5.983 344 HG21 THR 42 HG21 THR 42 5.498 -9.750 -4.286 345 HG22 THR 42 HG22 THR 42 5.642 -11.315 -3.480 346 HG23 THR 42 HG23 THR 42 5.631 -11.229 -5.242 347 H SER 43 H SER 43 9.305 -8.505 -1.505 348 HA SER 43 HA SER 43 11.879 -9.683 -1.984 349 HB2 SER 43 HB2 SER 43 11.551 -8.014 -3.885 350 HB3 SER 43 HB3 SER 43 11.490 -6.751 -2.660 351 HG SER 43 HG SER 43 13.651 -8.292 -2.255 352 H ASP 44 H ASP 44 10.387 -9.728 0.223 353 HA ASP 44 HA ASP 44 10.491 -7.364 1.801 354 HB2 ASP 44 HB2 ASP 44 9.201 -8.486 3.388 355 HB3 ASP 44 HB3 ASP 44 8.690 -9.161 1.847 356 HA PRO 45 HA PRO 45 14.074 -10.033 4.104 357 HB2 PRO 45 HB2 PRO 45 15.633 -9.794 1.596 358 HB3 PRO 45 HB3 PRO 45 15.790 -10.961 2.874 359 HG2 PRO 45 HG2 PRO 45 14.623 -11.526 0.579 360 HG3 PRO 45 HG3 PRO 45 14.052 -12.133 2.107 361 HD2 PRO 45 HD2 PRO 45 12.872 -10.093 0.384 362 HD3 PRO 45 HD3 PRO 45 12.066 -11.186 1.515 363 H ASP 46 H ASP 46 16.035 -8.933 4.784 364 HA ASP 46 HA ASP 46 15.527 -6.087 4.730 365 HB2 ASP 46 HB2 ASP 46 17.379 -7.826 6.346 366 HB3 ASP 46 HB3 ASP 46 17.386 -6.073 6.456 367 H TYR 47 H TYR 47 18.547 -7.926 4.597 368 HA TYR 47 HA TYR 47 20.615 -7.204 3.951 369 HB2 TYR 47 HB2 TYR 47 20.871 -7.660 1.597 370 HB3 TYR 47 HB3 TYR 47 19.788 -8.814 2.335 371 HD1 TYR 47 HD1 TYR 47 20.300 -6.784 -0.458 372 HD2 TYR 47 HD2 TYR 47 17.213 -8.160 2.120 373 HE1 TYR 47 HE1 TYR 47 18.648 -6.361 -2.229 374 HE2 TYR 47 HE2 TYR 47 15.549 -7.746 0.351 375 HH TYR 47 HH TYR 47 15.335 -6.283 -1.668 376 H ALA 48 H ALA 48 19.861 -4.946 4.899 377 HA ALA 48 HA ALA 48 20.918 -3.012 3.010 378 HB1 ALA 48 HB1 ALA 48 19.122 -1.396 3.370 379 HB2 ALA 48 HB2 ALA 48 18.247 -2.577 4.345 380 HB3 ALA 48 HB3 ALA 48 18.506 -2.872 2.625 381 H1 SER 0 H1 SER 0 -4.731 19.922 2.333 382 H2 SER 0 H2 SER 0 -3.851 18.801 1.427 383 H3 SER 0 H3 SER 0 -4.669 20.065 0.649 384 HA SER 0 HA SER 0 -2.284 20.448 0.778 385 HB2 SER 0 HB2 SER 0 -2.510 22.728 1.918 386 HB3 SER 0 HB3 SER 0 -3.618 22.391 0.590 387 HG SER 0 HG SER 0 -4.700 23.279 2.394 388 H MET 1 H MET 1 -0.838 21.766 2.513 389 HA MET 1 HA MET 1 0.378 21.795 4.425 390 HB2 MET 1 HB2 MET 1 -1.833 20.085 5.568 391 HB3 MET 1 HB3 MET 1 -0.488 20.728 6.496 392 HG2 MET 1 HG2 MET 1 -1.216 22.991 6.034 393 HG3 MET 1 HG3 MET 1 -2.530 22.382 5.031 394 HE1 MET 1 HE1 MET 1 -4.529 20.921 5.965 395 HE2 MET 1 HE2 MET 1 -4.771 20.544 7.669 396 HE3 MET 1 HE3 MET 1 -3.437 19.806 6.785 397 H ASP 2 H ASP 2 -0.978 18.573 3.819 398 HA ASP 2 HA ASP 2 1.155 17.099 4.889 399 HB2 ASP 2 HB2 ASP 2 -1.032 16.106 4.443 400 HB3 ASP 2 HB3 ASP 2 -0.804 16.341 2.714 401 H GLU 3 H GLU 3 3.188 17.150 4.245 402 HA GLU 3 HA GLU 3 3.754 16.931 1.380 403 HB2 GLU 3 HB2 GLU 3 4.079 19.287 2.050 404 HB3 GLU 3 HB3 GLU 3 5.219 18.767 3.282 405 HG2 GLU 3 HG2 GLU 3 6.767 18.011 1.642 406 HG3 GLU 3 HG3 GLU 3 5.590 18.241 0.348 407 H THR 4 H THR 4 5.219 15.396 0.922 408 HA THR 4 HA THR 4 6.593 14.140 3.202 409 HB THR 4 HB THR 4 6.209 11.960 1.902 410 HG1 THR 4 HG1 THR 4 4.023 13.393 0.791 411 HG21 THR 4 HG21 THR 4 3.966 11.653 2.861 412 HG22 THR 4 HG22 THR 4 3.840 13.394 3.110 413 HG23 THR 4 HG23 THR 4 5.050 12.463 3.992 414 H VAL 5 H VAL 5 8.111 12.330 2.168 415 HA VAL 5 HA VAL 5 9.743 11.620 0.772 416 HB VAL 5 HB VAL 5 9.116 14.030 -0.936 417 HG11 VAL 5 HG11 VAL 5 11.446 13.347 -1.201 418 HG12 VAL 5 HG12 VAL 5 10.506 12.951 -2.640 419 HG13 VAL 5 HG13 VAL 5 10.933 11.684 -1.490 420 HG21 VAL 5 HG21 VAL 5 8.466 11.102 -1.282 421 HG22 VAL 5 HG22 VAL 5 8.118 12.377 -2.449 422 HG23 VAL 5 HG23 VAL 5 7.321 12.379 -0.876 423 H LYS 6 H LYS 6 11.251 11.796 2.298 424 HA LYS 6 HA LYS 6 13.058 14.103 2.071 425 HB2 LYS 6 HB2 LYS 6 12.407 12.389 4.436 426 HB3 LYS 6 HB3 LYS 6 13.889 13.310 4.375 427 HG2 LYS 6 HG2 LYS 6 12.411 14.610 5.625 428 HG3 LYS 6 HG3 LYS 6 12.404 15.335 4.024 429 HD2 LYS 6 HD2 LYS 6 10.295 14.379 3.506 430 HD3 LYS 6 HD3 LYS 6 10.344 13.340 4.927 431 HE2 LYS 6 HE2 LYS 6 8.831 15.195 5.288 432 HE3 LYS 6 HE3 LYS 6 10.225 15.318 6.351 433 HZ1 LYS 6 HZ1 LYS 6 11.180 16.965 4.873 434 HZ2 LYS 6 HZ2 LYS 6 9.644 17.454 5.385 435 HZ3 LYS 6 HZ3 LYS 6 9.857 16.831 3.831 436 H LEU 7 H LEU 7 15.257 12.842 3.394 437 HA LEU 7 HA LEU 7 16.493 11.356 1.396 438 HB2 LEU 7 HB2 LEU 7 17.723 12.419 3.196 439 HB3 LEU 7 HB3 LEU 7 16.998 11.332 4.334 440 HG LEU 7 HG LEU 7 18.141 9.437 3.173 441 HD11 LEU 7 HD11 LEU 7 18.495 10.514 1.050 442 HD12 LEU 7 HD12 LEU 7 20.043 10.037 1.748 443 HD13 LEU 7 HD13 LEU 7 19.526 11.721 1.809 444 HD21 LEU 7 HD21 LEU 7 19.876 11.606 4.352 445 HD22 LEU 7 HD22 LEU 7 20.322 9.909 4.181 446 HD23 LEU 7 HD23 LEU 7 19.002 10.369 5.254 447 H ASN 8 H ASN 8 15.484 10.016 4.520 448 HA ASN 8 HA ASN 8 14.898 7.382 3.569 449 HB2 ASN 8 HB2 ASN 8 14.063 8.989 5.980 450 HB3 ASN 8 HB3 ASN 8 13.448 7.369 5.694 451 HD21 ASN 8 HD21 ASN 8 14.356 6.671 7.593 452 HD22 ASN 8 HD22 ASN 8 16.050 6.401 7.754 453 H HIS 9 H HIS 9 13.317 6.938 2.150 454 HA HIS 9 HA HIS 9 11.500 8.774 1.154 455 HB2 HIS 9 HB2 HIS 9 10.908 5.831 1.317 456 HB3 HIS 9 HB3 HIS 9 10.311 6.972 0.132 457 HD1 HIS 9 HD1 HIS 9 12.324 8.028 -1.449 458 HD2 HIS 9 HD2 HIS 9 13.037 4.398 0.452 459 HE1 HIS 9 HE1 HIS 9 14.225 6.967 -2.705 460 HE2 HIS 9 HE2 HIS 9 14.697 4.817 -1.484 461 H THR 10 H THR 10 9.734 9.646 1.958 462 HA THR 10 HA THR 10 8.880 8.841 4.589 463 HB THR 10 HB THR 10 7.608 10.969 2.874 464 HG1 THR 10 HG1 THR 10 10.018 11.009 4.373 465 HG21 THR 10 HG21 THR 10 7.100 11.998 5.049 466 HG22 THR 10 HG22 THR 10 7.872 10.639 5.865 467 HG23 THR 10 HG23 THR 10 6.405 10.383 4.918 468 H CYS 11 H CYS 11 7.119 7.742 5.090 469 HA CYS 11 HA CYS 11 5.905 6.178 3.084 470 HB2 CYS 11 HB2 CYS 11 6.254 5.546 5.469 471 HB3 CYS 11 HB3 CYS 11 4.941 6.632 5.879 472 H VAL 12 H VAL 12 4.401 6.672 1.748 473 HA VAL 12 HA VAL 12 2.623 8.712 1.683 474 HB VAL 12 HB VAL 12 3.272 6.639 0.145 475 HG11 VAL 12 HG11 VAL 12 2.062 4.931 1.252 476 HG12 VAL 12 HG12 VAL 12 1.350 5.243 -0.335 477 HG13 VAL 12 HG13 VAL 12 0.568 5.859 1.127 478 HG21 VAL 12 HG21 VAL 12 1.330 7.255 -1.262 479 HG22 VAL 12 HG22 VAL 12 2.478 8.505 -0.783 480 HG23 VAL 12 HG23 VAL 12 0.920 8.379 0.031 481 H ILE 13 H ILE 13 2.697 6.201 3.967 482 HA ILE 13 HA ILE 13 -0.178 6.392 4.472 483 HB ILE 13 HB ILE 13 1.716 4.359 5.573 484 HG12 ILE 13 HG12 ILE 13 1.566 4.387 3.041 485 HG13 ILE 13 HG13 ILE 13 1.124 2.879 3.826 486 HG21 ILE 13 HG21 ILE 13 -0.308 3.119 6.019 487 HG22 ILE 13 HG22 ILE 13 -1.270 4.408 5.300 488 HG23 ILE 13 HG23 ILE 13 -0.368 4.704 6.786 489 HD11 ILE 13 HD11 ILE 13 -0.835 4.964 2.968 490 HD12 ILE 13 HD12 ILE 13 -1.168 3.324 3.548 491 HD13 ILE 13 HD13 ILE 13 -0.362 3.570 1.994 492 H CYS 14 H CYS 14 2.755 5.886 6.443 493 HA CYS 14 HA CYS 14 1.313 7.001 8.669 494 HB2 CYS 14 HB2 CYS 14 3.077 5.963 10.055 495 HB3 CYS 14 HB3 CYS 14 2.194 4.819 9.068 496 H ASP 15 H ASP 15 3.150 8.270 6.407 497 HA ASP 15 HA ASP 15 4.315 10.213 6.146 498 HB2 ASP 15 HB2 ASP 15 2.317 10.994 7.394 499 HB3 ASP 15 HB3 ASP 15 3.263 10.939 8.866 500 H GLN 16 H GLN 16 5.564 7.999 7.446 501 HA GLN 16 HA GLN 16 7.549 9.296 9.140 502 HB2 GLN 16 HB2 GLN 16 6.920 6.372 8.776 503 HB3 GLN 16 HB3 GLN 16 8.149 7.019 9.858 504 HG2 GLN 16 HG2 GLN 16 5.192 7.533 10.035 505 HG3 GLN 16 HG3 GLN 16 6.113 6.438 11.055 506 HE21 GLN 16 HE21 GLN 16 4.517 8.755 11.741 507 HE22 GLN 16 HE22 GLN 16 5.573 9.810 12.600 508 H GLU 17 H GLU 17 9.640 9.239 8.649 509 HA GLU 17 HA GLU 17 10.394 8.896 5.915 510 HB2 GLU 17 HB2 GLU 17 12.068 9.652 8.314 511 HB3 GLU 17 HB3 GLU 17 12.565 9.754 6.638 512 HG2 GLU 17 HG2 GLU 17 11.062 11.471 6.157 513 HG3 GLU 17 HG3 GLU 17 10.188 11.214 7.662 514 H LYS 18 H LYS 18 10.633 6.963 5.267 515 HA LYS 18 HA LYS 18 12.077 5.005 6.919 516 HB2 LYS 18 HB2 LYS 18 10.106 4.116 4.919 517 HB3 LYS 18 HB3 LYS 18 10.648 3.302 6.356 518 HG2 LYS 18 HG2 LYS 18 8.726 5.597 6.191 519 HG3 LYS 18 HG3 LYS 18 8.368 3.939 6.648 520 HD2 LYS 18 HD2 LYS 18 10.312 5.566 8.192 521 HD3 LYS 18 HD3 LYS 18 8.604 5.712 8.468 522 HE2 LYS 18 HE2 LYS 18 9.514 4.197 10.064 523 HE3 LYS 18 HE3 LYS 18 8.519 3.329 8.923 524 HZ1 LYS 18 HZ1 LYS 18 11.461 3.468 8.706 525 HZ2 LYS 18 HZ2 LYS 18 10.419 2.439 7.859 526 HZ3 LYS 18 HZ3 LYS 18 10.653 2.227 9.517 527 H ASN 19 H ASN 19 13.896 4.284 6.035 528 HA ASN 19 HA ASN 19 14.389 4.882 3.242 529 HB2 ASN 19 HB2 ASN 19 16.667 4.311 3.657 530 HB3 ASN 19 HB3 ASN 19 16.113 5.226 5.051 531 HD21 ASN 19 HD21 ASN 19 17.195 2.160 3.883 532 HD22 ASN 19 HD22 ASN 19 17.338 1.389 5.456 533 H ARG 20 H ARG 20 12.759 2.536 4.755 534 HA ARG 20 HA ARG 20 13.423 0.509 2.735 535 HB2 ARG 20 HB2 ARG 20 13.014 0.139 5.673 536 HB3 ARG 20 HB3 ARG 20 12.652 -1.167 4.563 537 HG2 ARG 20 HG2 ARG 20 14.973 -1.021 3.737 538 HG3 ARG 20 HG3 ARG 20 15.308 0.158 4.996 539 HD2 ARG 20 HD2 ARG 20 14.336 -1.605 6.541 540 HD3 ARG 20 HD3 ARG 20 14.552 -2.725 5.222 541 HE ARG 20 HE ARG 20 17.001 -1.717 5.416 542 HH11 ARG 20 HH11 ARG 20 14.806 -2.777 7.920 543 HH12 ARG 20 HH12 ARG 20 16.062 -3.352 8.966 544 HH21 ARG 20 HH21 ARG 20 18.681 -2.495 6.796 545 HH22 ARG 20 HH22 ARG 20 18.256 -3.190 8.331 546 H GLY 21 H GLY 21 11.740 -0.425 1.724 547 HA2 GLY 21 HA2 GLY 21 9.246 -1.089 2.353 548 HA3 GLY 21 HA3 GLY 21 9.054 0.648 2.159 549 H ILE 22 H ILE 22 7.621 0.128 0.227 550 HA ILE 22 HA ILE 22 9.295 -0.665 -2.055 551 HB ILE 22 HB ILE 22 7.561 -1.784 -3.084 552 HG12 ILE 22 HG12 ILE 22 5.647 -0.335 -1.287 553 HG13 ILE 22 HG13 ILE 22 6.011 0.100 -2.925 554 HG21 ILE 22 HG21 ILE 22 8.137 -3.133 -1.203 555 HG22 ILE 22 HG22 ILE 22 6.378 -3.212 -1.383 556 HG23 ILE 22 HG23 ILE 22 7.100 -2.189 -0.134 557 HD11 ILE 22 HD11 ILE 22 4.794 -2.514 -2.119 558 HD12 ILE 22 HD12 ILE 22 5.013 -1.886 -3.763 559 HD13 ILE 22 HD13 ILE 22 3.881 -1.104 -2.664 560 H HIS 23 H HIS 23 7.785 0.100 -4.070 561 HA HIS 23 HA HIS 23 7.129 2.881 -3.697 562 HB2 HIS 23 HB2 HIS 23 8.742 3.654 -5.441 563 HB3 HIS 23 HB3 HIS 23 9.499 3.117 -3.963 564 HD1 HIS 23 HD1 HIS 23 9.291 2.400 -7.605 565 HD2 HIS 23 HD2 HIS 23 10.979 0.775 -4.192 566 HE1 HIS 23 HE1 HIS 23 10.978 0.727 -8.427 567 HE2 HIS 23 HE2 HIS 23 11.902 -0.339 -6.340 568 H LEU 24 H LEU 24 5.187 2.804 -4.546 569 HA LEU 24 HA LEU 24 4.793 1.640 -7.191 570 HB2 LEU 24 HB2 LEU 24 3.031 2.442 -4.960 571 HB3 LEU 24 HB3 LEU 24 2.443 2.866 -6.519 572 HG LEU 24 HG LEU 24 2.525 0.468 -7.137 573 HD11 LEU 24 HD11 LEU 24 3.286 0.082 -4.319 574 HD12 LEU 24 HD12 LEU 24 4.137 -0.453 -5.771 575 HD13 LEU 24 HD13 LEU 24 2.570 -1.159 -5.350 576 HD21 LEU 24 HD21 LEU 24 0.665 -0.198 -5.556 577 HD22 LEU 24 HD22 LEU 24 0.430 1.232 -6.552 578 HD23 LEU 24 HD23 LEU 24 0.880 1.404 -4.856 579 H TYR 25 H TYR 25 4.964 2.939 -8.926 580 HA TYR 25 HA TYR 25 4.966 4.805 -10.231 581 HB2 TYR 25 HB2 TYR 25 3.387 6.161 -8.082 582 HB3 TYR 25 HB3 TYR 25 3.424 6.580 -9.779 583 HD1 TYR 25 HD1 TYR 25 1.121 6.394 -10.392 584 HD2 TYR 25 HD2 TYR 25 2.968 3.237 -8.253 585 HE1 TYR 25 HE1 TYR 25 -0.864 4.996 -10.735 586 HE2 TYR 25 HE2 TYR 25 1.021 1.833 -8.524 587 HH TYR 25 HH TYR 25 -1.455 2.637 -10.795 588 H THR 26 H THR 26 4.655 7.329 -8.188 589 HA THR 26 HA THR 26 7.548 7.532 -7.766 590 HB THR 26 HB THR 26 7.009 9.346 -9.086 591 HG1 THR 26 HG1 THR 26 7.411 9.926 -6.507 592 HG21 THR 26 HG21 THR 26 4.976 10.657 -8.941 593 HG22 THR 26 HG22 THR 26 4.463 9.730 -7.531 594 HG23 THR 26 HG23 THR 26 4.604 8.937 -9.104 595 H LYS 27 H LYS 27 5.223 6.296 -6.036 596 HA LYS 27 HA LYS 27 5.568 8.032 -3.680 597 HB2 LYS 27 HB2 LYS 27 3.652 5.835 -3.416 598 HB3 LYS 27 HB3 LYS 27 3.542 7.489 -2.862 599 HG2 LYS 27 HG2 LYS 27 2.844 6.358 -5.517 600 HG3 LYS 27 HG3 LYS 27 1.804 7.147 -4.355 601 HD2 LYS 27 HD2 LYS 27 3.995 8.491 -5.916 602 HD3 LYS 27 HD3 LYS 27 2.260 8.629 -6.246 603 HE2 LYS 27 HE2 LYS 27 2.165 9.370 -3.737 604 HE3 LYS 27 HE3 LYS 27 3.871 9.733 -3.996 605 HZ1 LYS 27 HZ1 LYS 27 2.056 10.716 -6.041 606 HZ2 LYS 27 HZ2 LYS 27 3.410 11.462 -5.352 607 HZ3 LYS 27 HZ3 LYS 27 1.930 11.463 -4.536 608 H PHE 28 H PHE 28 4.997 6.525 -1.699 609 HA PHE 28 HA PHE 28 6.754 4.217 -1.654 610 HB2 PHE 28 HB2 PHE 28 8.271 6.057 -1.232 611 HB3 PHE 28 HB3 PHE 28 7.197 6.713 -0.004 612 HD1 PHE 28 HD1 PHE 28 7.397 6.060 2.213 613 HD2 PHE 28 HD2 PHE 28 9.229 3.734 -0.831 614 HE1 PHE 28 HE1 PHE 28 8.462 4.673 3.930 615 HE2 PHE 28 HE2 PHE 28 10.314 2.340 0.884 616 HZ PHE 28 HZ PHE 28 9.918 2.797 3.282 617 H ILE 29 H ILE 29 5.241 2.827 -0.888 618 HA ILE 29 HA ILE 29 3.931 3.549 1.625 619 HB ILE 29 HB ILE 29 3.945 0.838 0.239 620 HG12 ILE 29 HG12 ILE 29 1.431 1.383 -0.012 621 HG13 ILE 29 HG13 ILE 29 1.915 3.063 0.193 622 HG21 ILE 29 HG21 ILE 29 2.382 1.834 2.615 623 HG22 ILE 29 HG22 ILE 29 3.713 0.674 2.644 624 HG23 ILE 29 HG23 ILE 29 2.190 0.255 1.852 625 HD11 ILE 29 HD11 ILE 29 1.683 2.296 -2.158 626 HD12 ILE 29 HD12 ILE 29 3.056 1.226 -1.892 627 HD13 ILE 29 HD13 ILE 29 3.265 2.975 -1.767 628 H CYS 30 H CYS 30 5.163 3.266 3.469 629 HA CYS 30 HA CYS 30 7.690 1.987 3.313 630 HB2 CYS 30 HB2 CYS 30 8.021 2.442 5.530 631 HB3 CYS 30 HB3 CYS 30 6.828 3.669 5.123 632 H LEU 31 H LEU 31 8.376 0.153 4.410 633 HA LEU 31 HA LEU 31 7.228 -2.086 3.354 634 HB2 LEU 31 HB2 LEU 31 9.022 -3.178 4.238 635 HB3 LEU 31 HB3 LEU 31 9.597 -1.545 4.216 636 HG LEU 31 HG LEU 31 8.663 -1.585 6.711 637 HD11 LEU 31 HD11 LEU 31 9.491 -4.437 6.200 638 HD12 LEU 31 HD12 LEU 31 7.867 -3.885 6.605 639 HD13 LEU 31 HD13 LEU 31 9.170 -3.716 7.779 640 HD21 LEU 31 HD21 LEU 31 10.912 -0.980 6.049 641 HD22 LEU 31 HD22 LEU 31 11.323 -2.679 5.818 642 HD23 LEU 31 HD23 LEU 31 10.952 -2.072 7.431 643 H ASP 32 H ASP 32 6.403 -0.531 6.249 644 HA ASP 32 HA ASP 32 5.482 -2.918 7.615 645 HB2 ASP 32 HB2 ASP 32 6.510 -0.774 8.688 646 HB3 ASP 32 HB3 ASP 32 4.879 -0.155 8.511 647 H CYS 33 H CYS 33 4.211 -0.010 6.238 648 HA CYS 33 HA CYS 33 1.461 -0.603 6.452 649 HB2 CYS 33 HB2 CYS 33 2.952 1.380 4.735 650 HB3 CYS 33 HB3 CYS 33 1.214 1.288 4.879 651 H GLU 34 H GLU 34 3.969 -1.065 4.140 652 HA GLU 34 HA GLU 34 2.482 -1.822 1.942 653 HB2 GLU 34 HB2 GLU 34 4.786 -1.379 1.695 654 HB3 GLU 34 HB3 GLU 34 5.223 -2.518 2.923 655 HG2 GLU 34 HG2 GLU 34 3.898 -3.698 0.622 656 HG3 GLU 34 HG3 GLU 34 5.441 -2.955 0.285 657 H ARG 35 H ARG 35 3.700 -3.702 4.627 658 HA ARG 35 HA ARG 35 2.327 -6.044 3.741 659 HB2 ARG 35 HB2 ARG 35 3.145 -7.181 5.614 660 HB3 ARG 35 HB3 ARG 35 4.414 -6.047 5.196 661 HG2 ARG 35 HG2 ARG 35 3.410 -4.530 6.974 662 HG3 ARG 35 HG3 ARG 35 2.513 -5.947 7.494 663 HD2 ARG 35 HD2 ARG 35 5.449 -5.528 7.454 664 HD3 ARG 35 HD3 ARG 35 4.428 -5.928 8.825 665 HE ARG 35 HE ARG 35 4.102 -8.076 7.275 666 HH11 ARG 35 HH11 ARG 35 6.987 -6.378 8.295 667 HH12 ARG 35 HH12 ARG 35 8.007 -7.779 8.174 668 HH21 ARG 35 HH21 ARG 35 5.445 -9.921 7.100 669 HH22 ARG 35 HH22 ARG 35 7.133 -9.791 7.482 670 H LYS 36 H LYS 36 1.424 -3.349 5.631 671 HA LYS 36 HA LYS 36 -0.537 -4.478 7.291 672 HB2 LYS 36 HB2 LYS 36 -0.196 -1.719 6.158 673 HB3 LYS 36 HB3 LYS 36 -1.423 -2.136 7.310 674 HG2 LYS 36 HG2 LYS 36 0.491 -2.804 8.820 675 HG3 LYS 36 HG3 LYS 36 1.524 -2.025 7.691 676 HD2 LYS 36 HD2 LYS 36 0.458 -0.012 8.070 677 HD3 LYS 36 HD3 LYS 36 -0.830 -0.729 8.998 678 HE2 LYS 36 HE2 LYS 36 2.076 -0.648 9.762 679 HE3 LYS 36 HE3 LYS 36 0.831 0.421 10.405 680 HZ1 LYS 36 HZ1 LYS 36 -0.313 -1.545 11.275 681 HZ2 LYS 36 HZ2 LYS 36 1.239 -1.380 11.924 682 HZ3 LYS 36 HZ3 LYS 36 0.947 -2.530 10.721 683 H VAL 37 H VAL 37 -0.446 -3.004 4.189 684 HA VAL 37 HA VAL 37 -3.123 -2.810 3.632 685 HB VAL 37 HB VAL 37 -2.508 -2.758 1.290 686 HG11 VAL 37 HG11 VAL 37 -1.510 -0.694 1.386 687 HG12 VAL 37 HG12 VAL 37 -0.306 -1.230 2.563 688 HG13 VAL 37 HG13 VAL 37 -1.957 -0.873 3.091 689 HG21 VAL 37 HG21 VAL 37 0.067 -3.834 2.302 690 HG22 VAL 37 HG22 VAL 37 0.016 -2.852 0.832 691 HG23 VAL 37 HG23 VAL 37 -0.919 -4.346 0.926 692 H ILE 38 H ILE 38 -0.912 -5.411 2.969 693 HA ILE 38 HA ILE 38 -2.549 -7.095 1.461 694 HB ILE 38 HB ILE 38 -0.472 -8.107 3.387 695 HG12 ILE 38 HG12 ILE 38 -0.058 -6.585 0.846 696 HG13 ILE 38 HG13 ILE 38 0.656 -6.287 2.410 697 HG21 ILE 38 HG21 ILE 38 -0.040 -9.729 1.572 698 HG22 ILE 38 HG22 ILE 38 -1.376 -9.014 0.673 699 HG23 ILE 38 HG23 ILE 38 -1.681 -9.808 2.214 700 HD11 ILE 38 HD11 ILE 38 1.265 -8.802 0.923 701 HD12 ILE 38 HD12 ILE 38 2.198 -7.997 2.185 702 HD13 ILE 38 HD13 ILE 38 2.118 -7.303 0.565 703 H SER 39 H SER 39 -2.101 -6.495 4.794 704 HA SER 39 HA SER 39 -3.546 -8.740 5.701 705 HB2 SER 39 HB2 SER 39 -1.819 -7.684 7.096 706 HB3 SER 39 HB3 SER 39 -2.794 -6.220 7.190 707 HG SER 39 HG SER 39 -3.867 -8.689 8.025 708 H THR 40 H THR 40 -4.281 -5.407 5.052 709 HA THR 40 HA THR 40 -6.997 -5.512 6.027 710 HB THR 40 HB THR 40 -5.663 -3.432 4.288 711 HG1 THR 40 HG1 THR 40 -4.529 -3.852 6.296 712 HG21 THR 40 HG21 THR 40 -7.298 -1.900 5.214 713 HG22 THR 40 HG22 THR 40 -7.984 -3.191 6.201 714 HG23 THR 40 HG23 THR 40 -8.116 -3.259 4.444 715 H SER 41 H SER 41 -5.308 -6.157 3.147 716 HA SER 41 HA SER 41 -7.299 -5.672 1.221 717 HB2 SER 41 HB2 SER 41 -5.137 -5.563 0.442 718 HB3 SER 41 HB3 SER 41 -4.697 -7.037 1.259 719 HG SER 41 HG SER 41 -5.494 -6.708 -1.248 720 H THR 42 H THR 42 -7.066 -8.074 3.497 721 HA THR 42 HA THR 42 -7.883 -10.346 2.002 722 HB THR 42 HB THR 42 -8.199 -11.404 4.186 723 HG1 THR 42 HG1 THR 42 -8.779 -10.137 5.777 724 HG21 THR 42 HG21 THR 42 -5.756 -9.624 4.077 725 HG22 THR 42 HG22 THR 42 -5.928 -11.187 3.274 726 HG23 THR 42 HG23 THR 42 -5.919 -11.098 5.035 727 H SER 43 H SER 43 -9.543 -8.312 1.294 728 HA SER 43 HA SER 43 -12.139 -9.445 1.781 729 HB2 SER 43 HB2 SER 43 -11.773 -7.771 3.673 730 HB3 SER 43 HB3 SER 43 -11.694 -6.514 2.442 731 HG SER 43 HG SER 43 -13.882 -8.003 2.040 732 H ASP 44 H ASP 44 -10.649 -9.527 -0.428 733 HA ASP 44 HA ASP 44 -10.708 -7.165 -2.012 734 HB2 ASP 44 HB2 ASP 44 -9.437 -8.310 -3.596 735 HB3 ASP 44 HB3 ASP 44 -8.941 -8.996 -2.054 736 HA PRO 45 HA PRO 45 -14.342 -9.774 -4.311 737 HB2 PRO 45 HB2 PRO 45 -15.912 -9.453 -1.792 738 HB3 PRO 45 HB3 PRO 45 -16.085 -10.650 -3.066 739 HG2 PRO 45 HG2 PRO 45 -14.930 -11.250 -0.814 740 HG3 PRO 45 HG3 PRO 45 -14.332 -11.907 -2.331 741 HD2 PRO 45 HD2 PRO 45 -13.143 -9.835 -0.580 742 HD3 PRO 45 HD3 PRO 45 -12.351 -10.951 -1.707 743 H ASP 46 H ASP 46 -16.282 -8.651 -4.964 744 HA ASP 46 HA ASP 46 -15.721 -5.808 -4.945 745 HB2 ASP 46 HB2 ASP 46 -17.605 -7.519 -6.555 746 HB3 ASP 46 HB3 ASP 46 -17.583 -5.768 -6.668 747 H TYR 47 H TYR 47 -18.775 -7.589 -4.807 748 HA TYR 47 HA TYR 47 -20.826 -6.824 -4.160 749 HB2 TYR 47 HB2 TYR 47 -21.091 -7.271 -1.807 750 HB3 TYR 47 HB3 TYR 47 -20.031 -8.449 -2.542 751 HD1 TYR 47 HD1 TYR 47 -20.505 -6.402 0.245 752 HD2 TYR 47 HD2 TYR 47 -17.442 -7.840 -2.328 753 HE1 TYR 47 HE1 TYR 47 -18.847 -5.999 2.015 754 HE2 TYR 47 HE2 TYR 47 -15.770 -7.446 -0.560 755 HH TYR 47 HH TYR 47 -15.512 -6.015 1.441 756 H ALA 48 H ALA 48 -20.035 -4.586 -5.118 757 HA ALA 48 HA ALA 48 -21.059 -2.626 -3.236 758 HB1 ALA 48 HB1 ALA 48 -19.233 -1.044 -3.600 759 HB2 ALA 48 HB2 ALA 48 -18.378 -2.242 -4.572 760 HB3 ALA 48 HB3 ALA 48 -18.642 -2.528 -2.853 Start of MODEL 9 1 H1 SER 0 H1 SER 0 2.130 19.247 3.404 2 H2 SER 0 H2 SER 0 1.802 18.550 4.906 3 H3 SER 0 H3 SER 0 3.262 19.364 4.650 4 HA SER 0 HA SER 0 1.795 20.727 5.933 5 HB2 SER 0 HB2 SER 0 1.679 22.689 4.312 6 HB3 SER 0 HB3 SER 0 3.266 21.949 4.518 7 HG SER 0 HG SER 0 2.918 22.210 2.337 8 H MET 1 H MET 1 0.376 19.967 2.747 9 HA MET 1 HA MET 1 -2.186 21.018 3.572 10 HB2 MET 1 HB2 MET 1 -1.312 19.614 1.044 11 HB3 MET 1 HB3 MET 1 -2.931 20.245 1.314 12 HG2 MET 1 HG2 MET 1 -0.376 21.826 1.189 13 HG3 MET 1 HG3 MET 1 -1.667 21.796 -0.011 14 HE1 MET 1 HE1 MET 1 -4.245 21.784 1.964 15 HE2 MET 1 HE2 MET 1 -4.135 22.723 0.476 16 HE3 MET 1 HE3 MET 1 -4.603 23.510 1.982 17 H ASP 2 H ASP 2 -2.746 19.693 5.307 18 HA ASP 2 HA ASP 2 -3.034 16.842 4.887 19 HB2 ASP 2 HB2 ASP 2 -2.327 17.694 7.092 20 HB3 ASP 2 HB3 ASP 2 -3.851 18.561 7.242 21 H GLU 3 H GLU 3 -4.649 16.255 3.593 22 HA GLU 3 HA GLU 3 -7.355 16.973 4.338 23 HB2 GLU 3 HB2 GLU 3 -6.605 18.708 2.693 24 HB3 GLU 3 HB3 GLU 3 -6.420 17.419 1.510 25 HG2 GLU 3 HG2 GLU 3 -8.544 18.645 1.322 26 HG3 GLU 3 HG3 GLU 3 -8.757 16.920 1.590 27 H THR 4 H THR 4 -8.858 15.447 3.715 28 HA THR 4 HA THR 4 -7.888 13.156 2.167 29 HB THR 4 HB THR 4 -9.207 11.722 3.896 30 HG1 THR 4 HG1 THR 4 -8.438 13.917 5.557 31 HG21 THR 4 HG21 THR 4 -6.801 11.528 3.526 32 HG22 THR 4 HG22 THR 4 -7.174 11.423 5.247 33 HG23 THR 4 HG23 THR 4 -6.516 12.915 4.576 34 H VAL 5 H VAL 5 -9.408 12.209 0.881 35 HA VAL 5 HA VAL 5 -11.933 13.636 0.628 36 HB VAL 5 HB VAL 5 -10.809 11.440 -1.121 37 HG11 VAL 5 HG11 VAL 5 -13.219 11.682 -1.335 38 HG12 VAL 5 HG12 VAL 5 -12.410 12.276 -2.784 39 HG13 VAL 5 HG13 VAL 5 -13.038 13.416 -1.594 40 HG21 VAL 5 HG21 VAL 5 -9.331 13.380 -1.089 41 HG22 VAL 5 HG22 VAL 5 -10.691 14.434 -1.474 42 HG23 VAL 5 HG23 VAL 5 -10.145 13.235 -2.647 43 H LYS 6 H LYS 6 -13.873 12.838 1.167 44 HA LYS 6 HA LYS 6 -13.881 10.399 2.734 45 HB2 LYS 6 HB2 LYS 6 -14.829 12.500 3.623 46 HB3 LYS 6 HB3 LYS 6 -16.036 12.441 2.362 47 HG2 LYS 6 HG2 LYS 6 -16.948 10.399 3.260 48 HG3 LYS 6 HG3 LYS 6 -15.692 10.384 4.494 49 HD2 LYS 6 HD2 LYS 6 -16.531 12.529 5.353 50 HD3 LYS 6 HD3 LYS 6 -17.811 12.490 4.148 51 HE2 LYS 6 HE2 LYS 6 -18.706 10.464 5.121 52 HE3 LYS 6 HE3 LYS 6 -17.393 10.434 6.290 53 HZ1 LYS 6 HZ1 LYS 6 -18.194 12.534 7.186 54 HZ2 LYS 6 HZ2 LYS 6 -19.396 11.347 7.264 55 HZ3 LYS 6 HZ3 LYS 6 -19.465 12.546 6.071 56 H LEU 7 H LEU 7 -15.305 11.629 -0.243 57 HA LEU 7 HA LEU 7 -17.118 9.413 -0.483 58 HB2 LEU 7 HB2 LEU 7 -17.721 11.564 -1.408 59 HB3 LEU 7 HB3 LEU 7 -16.351 11.499 -2.469 60 HG LEU 7 HG LEU 7 -17.369 9.435 -3.507 61 HD11 LEU 7 HD11 LEU 7 -18.853 8.889 -1.684 62 HD12 LEU 7 HD12 LEU 7 -19.770 9.152 -3.167 63 HD13 LEU 7 HD13 LEU 7 -19.727 10.399 -1.920 64 HD21 LEU 7 HD21 LEU 7 -17.435 11.598 -4.614 65 HD22 LEU 7 HD22 LEU 7 -18.876 12.040 -3.698 66 HD23 LEU 7 HD23 LEU 7 -18.946 10.724 -4.870 67 H ASN 8 H ASN 8 -15.390 10.136 -3.401 68 HA ASN 8 HA ASN 8 -14.268 7.466 -3.472 69 HB2 ASN 8 HB2 ASN 8 -13.730 9.776 -5.339 70 HB3 ASN 8 HB3 ASN 8 -13.354 8.110 -5.651 71 HD21 ASN 8 HD21 ASN 8 -14.879 9.818 -7.290 72 HD22 ASN 8 HD22 ASN 8 -16.466 9.157 -7.399 73 H HIS 9 H HIS 9 -12.759 7.327 -1.890 74 HA HIS 9 HA HIS 9 -11.078 9.346 -0.986 75 HB2 HIS 9 HB2 HIS 9 -10.382 6.405 -1.032 76 HB3 HIS 9 HB3 HIS 9 -9.794 7.618 0.093 77 HD1 HIS 9 HD1 HIS 9 -11.867 8.714 1.620 78 HD2 HIS 9 HD2 HIS 9 -12.438 4.960 -0.077 79 HE1 HIS 9 HE1 HIS 9 -13.748 7.659 2.914 80 HE2 HIS 9 HE2 HIS 9 -13.981 5.346 1.962 81 H THR 10 H THR 10 -9.446 10.374 -2.010 82 HA THR 10 HA THR 10 -8.502 9.456 -4.525 83 HB THR 10 HB THR 10 -7.325 11.567 -2.677 84 HG1 THR 10 HG1 THR 10 -8.554 12.423 -4.954 85 HG21 THR 10 HG21 THR 10 -5.667 10.762 -4.303 86 HG22 THR 10 HG22 THR 10 -6.167 12.414 -4.661 87 HG23 THR 10 HG23 THR 10 -6.803 11.077 -5.616 88 H CYS 11 H CYS 11 -6.970 8.098 -4.994 89 HA CYS 11 HA CYS 11 -5.721 6.569 -2.991 90 HB2 CYS 11 HB2 CYS 11 -6.280 5.653 -5.179 91 HB3 CYS 11 HB3 CYS 11 -5.186 6.789 -5.963 92 H VAL 12 H VAL 12 -3.782 6.712 -2.030 93 HA VAL 12 HA VAL 12 -2.104 8.985 -2.282 94 HB VAL 12 HB VAL 12 -0.438 7.639 -0.968 95 HG11 VAL 12 HG11 VAL 12 -3.244 7.818 0.095 96 HG12 VAL 12 HG12 VAL 12 -1.951 9.008 0.258 97 HG13 VAL 12 HG13 VAL 12 -1.830 7.451 1.084 98 HG21 VAL 12 HG21 VAL 12 -2.585 5.533 -1.097 99 HG22 VAL 12 HG22 VAL 12 -1.194 5.495 -0.015 100 HG23 VAL 12 HG23 VAL 12 -0.954 5.427 -1.760 101 H ILE 13 H ILE 13 -2.343 6.054 -4.005 102 HA ILE 13 HA ILE 13 0.414 6.068 -4.920 103 HB ILE 13 HB ILE 13 -1.773 4.181 -5.727 104 HG12 ILE 13 HG12 ILE 13 -1.502 4.126 -3.308 105 HG13 ILE 13 HG13 ILE 13 -0.900 2.647 -4.049 106 HG21 ILE 13 HG21 ILE 13 0.146 4.219 -7.214 107 HG22 ILE 13 HG22 ILE 13 0.073 2.700 -6.321 108 HG23 ILE 13 HG23 ILE 13 1.222 3.949 -5.843 109 HD11 ILE 13 HD11 ILE 13 1.338 3.353 -3.814 110 HD12 ILE 13 HD12 ILE 13 0.518 3.558 -2.257 111 HD13 ILE 13 HD13 ILE 13 0.828 4.957 -3.283 112 H CYS 14 H CYS 14 -2.793 5.947 -6.361 113 HA CYS 14 HA CYS 14 -1.628 6.725 -8.892 114 HB2 CYS 14 HB2 CYS 14 -4.416 5.781 -8.524 115 HB3 CYS 14 HB3 CYS 14 -3.370 5.610 -9.916 116 H ASP 15 H ASP 15 -2.804 8.233 -6.359 117 HA ASP 15 HA ASP 15 -3.734 10.247 -5.887 118 HB2 ASP 15 HB2 ASP 15 -2.528 10.923 -8.520 119 HB3 ASP 15 HB3 ASP 15 -2.983 12.083 -7.298 120 H GLN 16 H GLN 16 -5.708 8.641 -6.884 121 HA GLN 16 HA GLN 16 -7.272 10.487 -8.519 122 HB2 GLN 16 HB2 GLN 16 -6.139 8.510 -9.728 123 HB3 GLN 16 HB3 GLN 16 -7.370 7.541 -9.017 124 HG2 GLN 16 HG2 GLN 16 -8.119 8.090 -11.182 125 HG3 GLN 16 HG3 GLN 16 -9.015 9.095 -10.067 126 HE21 GLN 16 HE21 GLN 16 -5.740 9.784 -10.753 127 HE22 GLN 16 HE22 GLN 16 -6.067 11.212 -11.633 128 H GLU 17 H GLU 17 -9.510 10.189 -8.342 129 HA GLU 17 HA GLU 17 -10.258 9.633 -5.627 130 HB2 GLU 17 HB2 GLU 17 -11.840 10.699 -7.958 131 HB3 GLU 17 HB3 GLU 17 -12.446 10.581 -6.320 132 HG2 GLU 17 HG2 GLU 17 -10.779 12.105 -5.545 133 HG3 GLU 17 HG3 GLU 17 -10.038 12.132 -7.132 134 H LYS 18 H LYS 18 -10.291 7.566 -5.262 135 HA LYS 18 HA LYS 18 -12.139 5.856 -6.803 136 HB2 LYS 18 HB2 LYS 18 -10.122 4.548 -5.165 137 HB3 LYS 18 HB3 LYS 18 -10.698 4.130 -6.738 138 HG2 LYS 18 HG2 LYS 18 -8.689 6.261 -6.138 139 HG3 LYS 18 HG3 LYS 18 -8.346 4.661 -6.789 140 HD2 LYS 18 HD2 LYS 18 -10.304 6.278 -8.233 141 HD3 LYS 18 HD3 LYS 18 -8.672 6.830 -8.281 142 HE2 LYS 18 HE2 LYS 18 -8.962 5.473 -10.182 143 HE3 LYS 18 HE3 LYS 18 -8.042 4.544 -9.022 144 HZ1 LYS 18 HZ1 LYS 18 -10.921 4.247 -9.618 145 HZ2 LYS 18 HZ2 LYS 18 -10.117 3.419 -8.384 146 HZ3 LYS 18 HZ3 LYS 18 -9.690 3.152 -9.995 147 H ASN 19 H ASN 19 -13.828 4.999 -5.678 148 HA ASN 19 HA ASN 19 -13.688 5.156 -2.761 149 HB2 ASN 19 HB2 ASN 19 -15.665 6.129 -3.865 150 HB3 ASN 19 HB3 ASN 19 -16.057 4.549 -4.489 151 HD21 ASN 19 HD21 ASN 19 -18.019 4.403 -3.465 152 HD22 ASN 19 HD22 ASN 19 -18.164 4.227 -1.723 153 H ARG 20 H ARG 20 -12.785 3.031 -5.017 154 HA ARG 20 HA ARG 20 -13.423 0.727 -3.287 155 HB2 ARG 20 HB2 ARG 20 -14.306 0.779 -5.746 156 HB3 ARG 20 HB3 ARG 20 -12.644 0.411 -6.158 157 HG2 ARG 20 HG2 ARG 20 -12.722 -1.625 -4.902 158 HG3 ARG 20 HG3 ARG 20 -14.316 -1.220 -4.294 159 HD2 ARG 20 HD2 ARG 20 -15.336 -1.479 -6.348 160 HD3 ARG 20 HD3 ARG 20 -13.801 -1.412 -7.178 161 HE ARG 20 HE ARG 20 -13.725 -3.641 -5.528 162 HH11 ARG 20 HH11 ARG 20 -15.559 -2.529 -8.294 163 HH12 ARG 20 HH12 ARG 20 -15.905 -4.130 -8.870 164 HH21 ARG 20 HH21 ARG 20 -14.186 -5.747 -6.276 165 HH22 ARG 20 HH22 ARG 20 -15.141 -5.964 -7.712 166 H GLY 21 H GLY 21 -11.771 -0.027 -2.225 167 HA2 GLY 21 HA2 GLY 21 -9.285 -0.804 -3.065 168 HA3 GLY 21 HA3 GLY 21 -9.097 0.906 -2.672 169 H ILE 22 H ILE 22 -7.718 0.387 -0.800 170 HA ILE 22 HA ILE 22 -9.402 -0.478 1.443 171 HB ILE 22 HB ILE 22 -7.703 -1.674 2.438 172 HG12 ILE 22 HG12 ILE 22 -5.817 -0.106 0.717 173 HG13 ILE 22 HG13 ILE 22 -6.083 0.084 2.412 174 HG21 ILE 22 HG21 ILE 22 -7.213 -2.006 -0.519 175 HG22 ILE 22 HG22 ILE 22 -8.341 -2.919 0.485 176 HG23 ILE 22 HG23 ILE 22 -6.600 -3.099 0.724 177 HD11 ILE 22 HD11 ILE 22 -5.157 -2.114 2.832 178 HD12 ILE 22 HD12 ILE 22 -4.011 -1.069 1.991 179 HD13 ILE 22 HD13 ILE 22 -4.879 -2.320 1.102 180 H HIS 23 H HIS 23 -7.945 0.183 3.489 181 HA HIS 23 HA HIS 23 -6.900 2.828 3.317 182 HB2 HIS 23 HB2 HIS 23 -8.667 3.886 4.742 183 HB3 HIS 23 HB3 HIS 23 -9.226 3.457 3.143 184 HD1 HIS 23 HD1 HIS 23 -9.868 2.887 6.732 185 HD2 HIS 23 HD2 HIS 23 -10.992 1.282 3.085 186 HE1 HIS 23 HE1 HIS 23 -11.887 1.463 7.219 187 HE2 HIS 23 HE2 HIS 23 -12.587 0.537 4.983 188 H LEU 24 H LEU 24 -5.276 2.738 4.708 189 HA LEU 24 HA LEU 24 -5.331 0.789 6.824 190 HB2 LEU 24 HB2 LEU 24 -3.187 2.678 5.876 191 HB3 LEU 24 HB3 LEU 24 -2.984 1.465 7.081 192 HG LEU 24 HG LEU 24 -3.639 0.908 4.207 193 HD11 LEU 24 HD11 LEU 24 -1.376 -0.001 4.101 194 HD12 LEU 24 HD12 LEU 24 -1.091 0.512 5.763 195 HD13 LEU 24 HD13 LEU 24 -1.362 1.714 4.503 196 HD21 LEU 24 HD21 LEU 24 -3.078 -0.934 6.524 197 HD22 LEU 24 HD22 LEU 24 -3.170 -1.436 4.834 198 HD23 LEU 24 HD23 LEU 24 -4.597 -0.780 5.636 199 H TYR 25 H TYR 25 -4.137 4.104 6.723 200 HA TYR 25 HA TYR 25 -4.967 4.427 9.474 201 HB2 TYR 25 HB2 TYR 25 -3.247 6.211 7.794 202 HB3 TYR 25 HB3 TYR 25 -3.545 6.419 9.507 203 HD1 TYR 25 HD1 TYR 25 -0.855 6.449 9.278 204 HD2 TYR 25 HD2 TYR 25 -3.304 2.989 8.831 205 HE1 TYR 25 HE1 TYR 25 1.072 5.016 9.762 206 HE2 TYR 25 HE2 TYR 25 -1.380 1.554 9.293 207 HH TYR 25 HH TYR 25 1.705 2.913 10.300 208 H THR 26 H THR 26 -4.693 7.327 7.715 209 HA THR 26 HA THR 26 -7.606 7.404 7.385 210 HB THR 26 HB THR 26 -6.811 9.212 8.784 211 HG1 THR 26 HG1 THR 26 -7.798 9.774 6.223 212 HG21 THR 26 HG21 THR 26 -4.490 9.252 7.940 213 HG22 THR 26 HG22 THR 26 -5.210 10.857 8.049 214 HG23 THR 26 HG23 THR 26 -5.059 10.063 6.481 215 H LYS 27 H LYS 27 -5.065 6.486 5.639 216 HA LYS 27 HA LYS 27 -5.684 8.094 3.270 217 HB2 LYS 27 HB2 LYS 27 -3.628 6.188 2.761 218 HB3 LYS 27 HB3 LYS 27 -3.541 7.935 2.731 219 HG2 LYS 27 HG2 LYS 27 -3.157 6.182 5.139 220 HG3 LYS 27 HG3 LYS 27 -1.893 6.982 4.209 221 HD2 LYS 27 HD2 LYS 27 -4.106 8.401 5.659 222 HD3 LYS 27 HD3 LYS 27 -2.493 8.159 6.298 223 HE2 LYS 27 HE2 LYS 27 -2.265 9.243 3.684 224 HE3 LYS 27 HE3 LYS 27 -3.456 10.195 4.565 225 HZ1 LYS 27 HZ1 LYS 27 -0.738 9.595 5.610 226 HZ2 LYS 27 HZ2 LYS 27 -1.877 10.656 6.269 227 HZ3 LYS 27 HZ3 LYS 27 -1.147 11.018 4.792 228 H PHE 28 H PHE 28 -5.061 6.683 1.245 229 HA PHE 28 HA PHE 28 -6.601 4.235 1.283 230 HB2 PHE 28 HB2 PHE 28 -8.319 5.855 1.020 231 HB3 PHE 28 HB3 PHE 28 -7.395 6.736 -0.189 232 HD1 PHE 28 HD1 PHE 28 -7.494 6.196 -2.430 233 HD2 PHE 28 HD2 PHE 28 -9.224 3.578 0.417 234 HE1 PHE 28 HE1 PHE 28 -8.537 4.945 -4.236 235 HE2 PHE 28 HE2 PHE 28 -10.265 2.286 -1.395 236 HZ PHE 28 HZ PHE 28 -9.900 2.932 -3.758 237 H ILE 29 H ILE 29 -5.176 2.920 0.378 238 HA ILE 29 HA ILE 29 -3.986 3.597 -2.211 239 HB ILE 29 HB ILE 29 -3.977 0.964 -0.687 240 HG12 ILE 29 HG12 ILE 29 -1.380 1.709 -0.704 241 HG13 ILE 29 HG13 ILE 29 -2.148 3.291 -0.610 242 HG21 ILE 29 HG21 ILE 29 -2.302 0.205 -2.255 243 HG22 ILE 29 HG22 ILE 29 -2.372 1.744 -3.112 244 HG23 ILE 29 HG23 ILE 29 -3.783 0.674 -3.111 245 HD11 ILE 29 HD11 ILE 29 -1.534 2.126 1.571 246 HD12 ILE 29 HD12 ILE 29 -2.906 1.066 1.246 247 HD13 ILE 29 HD13 ILE 29 -3.155 2.804 1.432 248 H CYS 30 H CYS 30 -5.207 3.208 -4.066 249 HA CYS 30 HA CYS 30 -7.712 1.926 -3.632 250 HB2 CYS 30 HB2 CYS 30 -8.344 2.379 -5.882 251 HB3 CYS 30 HB3 CYS 30 -7.607 3.791 -5.178 252 H LEU 31 H LEU 31 -8.299 0.319 -5.587 253 HA LEU 31 HA LEU 31 -7.440 -1.933 -4.193 254 HB2 LEU 31 HB2 LEU 31 -9.126 -3.021 -5.402 255 HB3 LEU 31 HB3 LEU 31 -9.700 -1.433 -5.068 256 HG LEU 31 HG LEU 31 -8.816 -0.926 -7.488 257 HD11 LEU 31 HD11 LEU 31 -9.403 -3.880 -7.643 258 HD12 LEU 31 HD12 LEU 31 -7.825 -3.129 -7.875 259 HD13 LEU 31 HD13 LEU 31 -9.133 -2.803 -9.012 260 HD21 LEU 31 HD21 LEU 31 -11.104 -0.665 -6.775 261 HD22 LEU 31 HD22 LEU 31 -11.367 -2.404 -6.882 262 HD23 LEU 31 HD23 LEU 31 -11.059 -1.469 -8.344 263 H ASP 32 H ASP 32 -6.160 -0.449 -6.916 264 HA ASP 32 HA ASP 32 -5.321 -2.872 -8.266 265 HB2 ASP 32 HB2 ASP 32 -4.666 -1.463 -10.051 266 HB3 ASP 32 HB3 ASP 32 -6.123 -0.754 -9.394 267 H CYS 33 H CYS 33 -3.891 -0.100 -6.802 268 HA CYS 33 HA CYS 33 -1.219 -0.861 -6.858 269 HB2 CYS 33 HB2 CYS 33 -1.216 0.972 -4.979 270 HB3 CYS 33 HB3 CYS 33 -1.519 1.430 -6.646 271 H GLU 34 H GLU 34 -3.856 -1.246 -4.713 272 HA GLU 34 HA GLU 34 -2.512 -2.001 -2.407 273 HB2 GLU 34 HB2 GLU 34 -4.900 -1.496 -2.432 274 HB3 GLU 34 HB3 GLU 34 -5.202 -2.880 -3.437 275 HG2 GLU 34 HG2 GLU 34 -3.897 -3.462 -0.902 276 HG3 GLU 34 HG3 GLU 34 -5.535 -2.875 -0.794 277 H ARG 35 H ARG 35 -3.714 -4.012 -5.063 278 HA ARG 35 HA ARG 35 -2.329 -6.290 -4.051 279 HB2 ARG 35 HB2 ARG 35 -2.859 -7.425 -6.150 280 HB3 ARG 35 HB3 ARG 35 -4.276 -6.661 -5.454 281 HG2 ARG 35 HG2 ARG 35 -3.942 -4.770 -7.045 282 HG3 ARG 35 HG3 ARG 35 -2.674 -5.719 -7.802 283 HD2 ARG 35 HD2 ARG 35 -5.531 -6.513 -7.529 284 HD3 ARG 35 HD3 ARG 35 -4.758 -5.965 -9.003 285 HE ARG 35 HE ARG 35 -3.296 -8.131 -8.155 286 HH11 ARG 35 HH11 ARG 35 -6.620 -7.540 -9.078 287 HH12 ARG 35 HH12 ARG 35 -6.886 -9.155 -9.648 288 HH21 ARG 35 HH21 ARG 35 -3.633 -10.261 -8.918 289 HH22 ARG 35 HH22 ARG 35 -5.185 -10.704 -9.558 290 H LYS 36 H LYS 36 -1.346 -3.618 -5.903 291 HA LYS 36 HA LYS 36 0.705 -4.801 -7.441 292 HB2 LYS 36 HB2 LYS 36 0.415 -1.995 -6.490 293 HB3 LYS 36 HB3 LYS 36 1.607 -2.518 -7.646 294 HG2 LYS 36 HG2 LYS 36 -0.368 -3.255 -9.045 295 HG3 LYS 36 HG3 LYS 36 -1.356 -2.368 -7.958 296 HD2 LYS 36 HD2 LYS 36 -0.254 -0.409 -8.542 297 HD3 LYS 36 HD3 LYS 36 0.952 -1.242 -9.488 298 HE2 LYS 36 HE2 LYS 36 -0.862 -2.023 -10.975 299 HE3 LYS 36 HE3 LYS 36 -2.003 -1.048 -10.054 300 HZ1 LYS 36 HZ1 LYS 36 -0.831 0.927 -10.707 301 HZ2 LYS 36 HZ2 LYS 36 -1.245 0.043 -12.090 302 HZ3 LYS 36 HZ3 LYS 36 0.346 0.017 -11.516 303 H VAL 37 H VAL 37 0.464 -3.304 -4.349 304 HA VAL 37 HA VAL 37 3.122 -3.125 -3.672 305 HB VAL 37 HB VAL 37 2.421 -3.129 -1.341 306 HG11 VAL 37 HG11 VAL 37 0.385 -1.567 -2.899 307 HG12 VAL 37 HG12 VAL 37 2.093 -1.113 -2.853 308 HG13 VAL 37 HG13 VAL 37 1.147 -1.139 -1.363 309 HG21 VAL 37 HG21 VAL 37 -0.091 -4.208 -2.470 310 HG22 VAL 37 HG22 VAL 37 -0.149 -3.181 -1.035 311 HG23 VAL 37 HG23 VAL 37 0.805 -4.667 -1.012 312 H ILE 38 H ILE 38 0.860 -5.704 -3.056 313 HA ILE 38 HA ILE 38 2.478 -7.470 -1.623 314 HB ILE 38 HB ILE 38 0.397 -8.424 -3.573 315 HG12 ILE 38 HG12 ILE 38 -0.085 -6.893 -1.039 316 HG13 ILE 38 HG13 ILE 38 -0.730 -6.574 -2.630 317 HG21 ILE 38 HG21 ILE 38 1.268 -9.321 -0.846 318 HG22 ILE 38 HG22 ILE 38 1.508 -10.150 -2.382 319 HG23 ILE 38 HG23 ILE 38 -0.113 -9.994 -1.707 320 HD11 ILE 38 HD11 ILE 38 -1.430 -9.083 -1.167 321 HD12 ILE 38 HD12 ILE 38 -2.288 -8.287 -2.485 322 HD13 ILE 38 HD13 ILE 38 -2.290 -7.574 -0.869 323 H SER 39 H SER 39 1.901 -6.809 -4.940 324 HA SER 39 HA SER 39 3.295 -9.075 -5.891 325 HB2 SER 39 HB2 SER 39 1.432 -8.023 -7.152 326 HB3 SER 39 HB3 SER 39 2.452 -6.613 -7.425 327 HG SER 39 HG SER 39 3.365 -9.166 -8.173 328 H THR 40 H THR 40 4.172 -6.005 -4.827 329 HA THR 40 HA THR 40 6.655 -5.798 -6.281 330 HB THR 40 HB THR 40 5.618 -4.220 -3.915 331 HG1 THR 40 HG1 THR 40 4.389 -4.110 -5.941 332 HG21 THR 40 HG21 THR 40 8.047 -4.045 -4.135 333 HG22 THR 40 HG22 THR 40 7.259 -2.528 -4.569 334 HG23 THR 40 HG23 THR 40 7.868 -3.598 -5.832 335 H SER 41 H SER 41 5.624 -6.582 -2.976 336 HA SER 41 HA SER 41 8.360 -6.758 -2.068 337 HB2 SER 41 HB2 SER 41 7.208 -7.293 0.131 338 HB3 SER 41 HB3 SER 41 6.849 -5.715 -0.572 339 HG SER 41 HG SER 41 4.903 -6.577 -0.007 340 H THR 42 H THR 42 5.650 -9.021 -2.529 341 HA THR 42 HA THR 42 6.937 -11.112 -1.094 342 HB THR 42 HB THR 42 5.118 -12.553 -1.879 343 HG1 THR 42 HG1 THR 42 4.092 -10.318 -3.308 344 HG21 THR 42 HG21 THR 42 4.720 -11.097 0.040 345 HG22 THR 42 HG22 THR 42 3.248 -11.278 -0.914 346 HG23 THR 42 HG23 THR 42 4.201 -9.800 -1.037 347 H SER 43 H SER 43 7.402 -9.966 -4.232 348 HA SER 43 HA SER 43 8.487 -12.536 -5.128 349 HB2 SER 43 HB2 SER 43 8.652 -11.289 -7.357 350 HB3 SER 43 HB3 SER 43 7.030 -11.651 -6.767 351 HG SER 43 HG SER 43 8.401 -9.196 -6.828 352 H ASP 44 H ASP 44 9.559 -10.108 -3.357 353 HA ASP 44 HA ASP 44 12.298 -10.498 -4.230 354 HB2 ASP 44 HB2 ASP 44 11.451 -8.477 -5.473 355 HB3 ASP 44 HB3 ASP 44 11.222 -7.691 -3.915 356 HA PRO 45 HA PRO 45 11.910 -10.449 0.289 357 HB2 PRO 45 HB2 PRO 45 13.521 -12.525 0.764 358 HB3 PRO 45 HB3 PRO 45 11.936 -12.761 0.096 359 HG2 PRO 45 HG2 PRO 45 14.487 -12.809 -1.226 360 HG3 PRO 45 HG3 PRO 45 13.117 -13.850 -1.488 361 HD2 PRO 45 HD2 PRO 45 13.804 -11.689 -3.081 362 HD3 PRO 45 HD3 PRO 45 12.194 -12.414 -2.967 363 H ASP 46 H ASP 46 13.880 -8.833 -1.386 364 HA ASP 46 HA ASP 46 16.366 -9.020 0.058 365 HB2 ASP 46 HB2 ASP 46 15.972 -8.186 -2.387 366 HB3 ASP 46 HB3 ASP 46 15.579 -6.651 -1.619 367 H TYR 47 H TYR 47 17.172 -6.649 0.816 368 HA TYR 47 HA TYR 47 17.240 -5.438 2.693 369 HB2 TYR 47 HB2 TYR 47 14.456 -4.733 1.836 370 HB3 TYR 47 HB3 TYR 47 15.512 -3.795 2.865 371 HD1 TYR 47 HD1 TYR 47 17.781 -3.062 1.856 372 HD2 TYR 47 HD2 TYR 47 14.444 -4.314 -0.464 373 HE1 TYR 47 HE1 TYR 47 18.723 -1.920 -0.104 374 HE2 TYR 47 HE2 TYR 47 15.378 -3.174 -2.433 375 HH TYR 47 HH TYR 47 18.573 -2.066 -2.565 376 H ALA 48 H ALA 48 17.130 -7.701 3.688 377 HA ALA 48 HA ALA 48 14.885 -7.787 5.589 378 HB1 ALA 48 HB1 ALA 48 16.625 -10.064 4.646 379 HB2 ALA 48 HB2 ALA 48 14.970 -9.747 4.130 380 HB3 ALA 48 HB3 ALA 48 15.303 -10.182 5.806 381 H1 SER 0 H1 SER 0 -1.875 19.267 -3.697 382 H2 SER 0 H2 SER 0 -1.567 18.565 -5.202 383 H3 SER 0 H3 SER 0 -3.007 19.406 -4.941 384 HA SER 0 HA SER 0 -1.523 20.738 -6.231 385 HB2 SER 0 HB2 SER 0 -1.370 22.703 -4.616 386 HB3 SER 0 HB3 SER 0 -2.969 21.989 -4.813 387 HG SER 0 HG SER 0 -2.635 22.233 -2.639 388 H MET 1 H MET 1 -0.112 19.968 -3.047 389 HA MET 1 HA MET 1 2.470 20.965 -3.877 390 HB2 MET 1 HB2 MET 1 1.573 19.586 -1.343 391 HB3 MET 1 HB3 MET 1 3.202 20.186 -1.617 392 HG2 MET 1 HG2 MET 1 0.675 21.812 -1.496 393 HG3 MET 1 HG3 MET 1 1.970 21.768 -0.299 394 HE1 MET 1 HE1 MET 1 4.544 21.700 -2.280 395 HE2 MET 1 HE2 MET 1 4.447 22.646 -0.795 396 HE3 MET 1 HE3 MET 1 4.930 23.422 -2.302 397 H ASP 2 H ASP 2 3.002 19.625 -5.607 398 HA ASP 2 HA ASP 2 3.241 16.770 -5.183 399 HB2 ASP 2 HB2 ASP 2 2.546 17.632 -7.387 400 HB3 ASP 2 HB3 ASP 2 4.086 18.472 -7.540 401 H GLU 3 H GLU 3 4.848 16.154 -3.893 402 HA GLU 3 HA GLU 3 7.563 16.826 -4.638 403 HB2 GLU 3 HB2 GLU 3 6.847 18.581 -2.996 404 HB3 GLU 3 HB3 GLU 3 6.640 17.298 -1.809 405 HG2 GLU 3 HG2 GLU 3 8.786 18.486 -1.626 406 HG3 GLU 3 HG3 GLU 3 8.969 16.757 -1.895 407 H THR 4 H THR 4 9.039 15.276 -4.014 408 HA THR 4 HA THR 4 8.030 13.007 -2.455 409 HB THR 4 HB THR 4 9.320 11.543 -4.178 410 HG1 THR 4 HG1 THR 4 8.597 13.742 -5.846 411 HG21 THR 4 HG21 THR 4 6.912 11.394 -3.809 412 HG22 THR 4 HG22 THR 4 7.283 11.277 -5.530 413 HG23 THR 4 HG23 THR 4 6.652 12.784 -4.864 414 H VAL 5 H VAL 5 9.539 12.032 -1.171 415 HA VAL 5 HA VAL 5 12.084 13.423 -0.924 416 HB VAL 5 HB VAL 5 10.927 11.251 0.833 417 HG11 VAL 5 HG11 VAL 5 13.340 11.448 1.042 418 HG12 VAL 5 HG12 VAL 5 12.545 12.065 2.491 419 HG13 VAL 5 HG13 VAL 5 13.191 13.188 1.294 420 HG21 VAL 5 HG21 VAL 5 9.483 13.216 0.798 421 HG22 VAL 5 HG22 VAL 5 10.862 14.247 1.177 422 HG23 VAL 5 HG23 VAL 5 10.297 13.061 2.354 423 H LYS 6 H LYS 6 14.010 12.592 -1.461 424 HA LYS 6 HA LYS 6 13.974 10.148 -3.022 425 HB2 LYS 6 HB2 LYS 6 14.957 12.226 -3.920 426 HB3 LYS 6 HB3 LYS 6 16.164 12.153 -2.662 427 HG2 LYS 6 HG2 LYS 6 17.038 10.089 -3.551 428 HG3 LYS 6 HG3 LYS 6 15.780 10.092 -4.784 429 HD2 LYS 6 HD2 LYS 6 16.658 12.211 -5.652 430 HD3 LYS 6 HD3 LYS 6 17.936 12.166 -4.445 431 HE2 LYS 6 HE2 LYS 6 18.791 10.124 -5.415 432 HE3 LYS 6 HE3 LYS 6 17.481 10.099 -6.587 433 HZ1 LYS 6 HZ1 LYS 6 18.312 12.192 -7.482 434 HZ2 LYS 6 HZ2 LYS 6 19.494 10.984 -7.562 435 HZ3 LYS 6 HZ3 LYS 6 19.589 12.179 -6.371 436 H LEU 7 H LEU 7 15.418 11.350 -0.047 437 HA LEU 7 HA LEU 7 17.196 9.106 0.193 438 HB2 LEU 7 HB2 LEU 7 17.839 11.250 1.110 439 HB3 LEU 7 HB3 LEU 7 16.470 11.213 2.173 440 HG LEU 7 HG LEU 7 17.452 9.134 3.215 441 HD11 LEU 7 HD11 LEU 7 18.924 8.557 1.393 442 HD12 LEU 7 HD12 LEU 7 19.847 8.810 2.873 443 HD13 LEU 7 HD13 LEU 7 19.823 10.052 1.622 444 HD21 LEU 7 HD21 LEU 7 17.557 11.297 4.316 445 HD22 LEU 7 HD22 LEU 7 19.002 11.712 3.396 446 HD23 LEU 7 HD23 LEU 7 19.052 10.398 4.572 447 H ASN 8 H ASN 8 15.486 9.872 3.111 448 HA ASN 8 HA ASN 8 14.319 7.223 3.193 449 HB2 ASN 8 HB2 ASN 8 13.824 9.549 5.054 450 HB3 ASN 8 HB3 ASN 8 13.417 7.889 5.368 451 HD21 ASN 8 HD21 ASN 8 14.977 9.586 6.995 452 HD22 ASN 8 HD22 ASN 8 16.550 8.887 7.113 453 H HIS 9 H HIS 9 12.807 7.107 1.611 454 HA HIS 9 HA HIS 9 11.158 9.152 0.706 455 HB2 HIS 9 HB2 HIS 9 10.410 6.224 0.762 456 HB3 HIS 9 HB3 HIS 9 9.843 7.444 -0.366 457 HD1 HIS 9 HD1 HIS 9 11.935 8.502 -1.894 458 HD2 HIS 9 HD2 HIS 9 12.441 4.740 -0.193 459 HE1 HIS 9 HE1 HIS 9 13.788 7.407 -3.196 460 HE2 HIS 9 HE2 HIS 9 13.989 5.093 -2.232 461 H THR 10 H THR 10 9.545 10.212 1.727 462 HA THR 10 HA THR 10 8.590 9.320 4.248 463 HB THR 10 HB THR 10 7.446 11.446 2.392 464 HG1 THR 10 HG1 THR 10 8.695 12.276 4.679 465 HG21 THR 10 HG21 THR 10 5.777 10.675 4.021 466 HG22 THR 10 HG22 THR 10 6.305 12.318 4.376 467 HG23 THR 10 HG23 THR 10 6.918 10.971 5.333 468 H CYS 11 H CYS 11 7.034 7.989 4.723 469 HA CYS 11 HA CYS 11 5.755 6.476 2.728 470 HB2 CYS 11 HB2 CYS 11 6.298 5.559 4.921 471 HB3 CYS 11 HB3 CYS 11 5.229 6.718 5.700 472 H VAL 12 H VAL 12 3.818 6.651 1.769 473 HA VAL 12 HA VAL 12 2.180 8.954 2.016 474 HB VAL 12 HB VAL 12 0.489 7.633 0.707 475 HG11 VAL 12 HG11 VAL 12 3.296 7.759 -0.359 476 HG12 VAL 12 HG12 VAL 12 2.023 8.972 -0.525 477 HG13 VAL 12 HG13 VAL 12 1.874 7.414 -1.345 478 HG21 VAL 12 HG21 VAL 12 2.598 5.490 0.841 479 HG22 VAL 12 HG22 VAL 12 1.205 5.474 -0.241 480 HG23 VAL 12 HG23 VAL 12 0.967 5.415 1.506 481 H ILE 13 H ILE 13 2.371 6.025 3.748 482 HA ILE 13 HA ILE 13 -0.385 6.091 4.663 483 HB ILE 13 HB ILE 13 1.769 4.169 5.476 484 HG12 ILE 13 HG12 ILE 13 1.494 4.109 3.058 485 HG13 ILE 13 HG13 ILE 13 0.867 2.644 3.805 486 HG21 ILE 13 HG21 ILE 13 -0.147 4.243 6.964 487 HG22 ILE 13 HG22 ILE 13 -0.103 2.721 6.076 488 HG23 ILE 13 HG23 ILE 13 -1.229 3.989 5.596 489 HD11 ILE 13 HD11 ILE 13 -1.359 3.389 3.570 490 HD12 ILE 13 HD12 ILE 13 -0.538 3.572 2.011 491 HD13 ILE 13 HD13 ILE 13 -0.821 4.980 3.033 492 H CYS 14 H CYS 14 2.822 5.932 6.092 493 HA CYS 14 HA CYS 14 1.657 6.733 8.630 494 HB2 CYS 14 HB2 CYS 14 4.425 5.724 8.285 495 HB3 CYS 14 HB3 CYS 14 3.380 5.577 9.677 496 H ASP 15 H ASP 15 2.875 8.202 6.097 497 HA ASP 15 HA ASP 15 3.838 10.197 5.616 498 HB2 ASP 15 HB2 ASP 15 2.651 10.906 8.248 499 HB3 ASP 15 HB3 ASP 15 3.132 12.054 7.022 500 H GLN 16 H GLN 16 5.785 8.561 6.611 501 HA GLN 16 HA GLN 16 7.384 10.383 8.238 502 HB2 GLN 16 HB2 GLN 16 6.219 8.432 9.456 503 HB3 GLN 16 HB3 GLN 16 7.428 7.437 8.743 504 HG2 GLN 16 HG2 GLN 16 8.193 7.978 10.905 505 HG3 GLN 16 HG3 GLN 16 9.106 8.964 9.787 506 HE21 GLN 16 HE21 GLN 16 5.847 9.717 10.472 507 HE22 GLN 16 HE22 GLN 16 6.201 11.137 11.356 508 H GLU 17 H GLU 17 9.616 10.046 8.057 509 HA GLU 17 HA GLU 17 10.350 9.469 5.343 510 HB2 GLU 17 HB2 GLU 17 11.955 10.511 7.670 511 HB3 GLU 17 HB3 GLU 17 12.556 10.382 6.032 512 HG2 GLU 17 HG2 GLU 17 10.914 11.933 5.260 513 HG3 GLU 17 HG3 GLU 17 10.178 11.969 6.849 514 H LYS 18 H LYS 18 10.347 7.400 4.986 515 HA LYS 18 HA LYS 18 12.165 5.662 6.531 516 HB2 LYS 18 HB2 LYS 18 10.123 4.385 4.900 517 HB3 LYS 18 HB3 LYS 18 10.695 3.961 6.474 518 HG2 LYS 18 HG2 LYS 18 8.724 6.127 5.869 519 HG3 LYS 18 HG3 LYS 18 8.352 4.535 6.527 520 HD2 LYS 18 HD2 LYS 18 10.343 6.122 7.963 521 HD3 LYS 18 HD3 LYS 18 8.720 6.702 8.011 522 HE2 LYS 18 HE2 LYS 18 8.986 5.345 9.915 523 HE3 LYS 18 HE3 LYS 18 8.050 4.430 8.757 524 HZ1 LYS 18 HZ1 LYS 18 10.924 4.083 9.356 525 HZ2 LYS 18 HZ2 LYS 18 10.105 3.262 8.125 526 HZ3 LYS 18 HZ3 LYS 18 9.672 3.013 9.737 527 H ASN 19 H ASN 19 13.835 4.770 5.405 528 HA ASN 19 HA ASN 19 13.696 4.923 2.489 529 HB2 ASN 19 HB2 ASN 19 15.693 5.864 3.585 530 HB3 ASN 19 HB3 ASN 19 16.056 4.278 4.215 531 HD21 ASN 19 HD21 ASN 19 18.012 4.087 3.184 532 HD22 ASN 19 HD22 ASN 19 18.150 3.907 1.442 533 H ARG 20 H ARG 20 12.757 2.822 4.749 534 HA ARG 20 HA ARG 20 13.352 0.499 3.032 535 HB2 ARG 20 HB2 ARG 20 14.238 0.548 5.492 536 HB3 ARG 20 HB3 ARG 20 12.569 0.207 5.904 537 HG2 ARG 20 HG2 ARG 20 12.614 -1.834 4.656 538 HG3 ARG 20 HG3 ARG 20 14.213 -1.456 4.044 539 HD2 ARG 20 HD2 ARG 20 15.234 -1.730 6.095 540 HD3 ARG 20 HD3 ARG 20 13.702 -1.634 6.930 541 HE ARG 20 HE ARG 20 13.583 -3.864 5.284 542 HH11 ARG 20 HH11 ARG 20 15.432 -2.786 8.051 543 HH12 ARG 20 HH12 ARG 20 15.766 -4.391 8.614 544 HH21 ARG 20 HH21 ARG 20 14.005 -5.981 6.034 545 HH22 ARG 20 HH22 ARG 20 14.959 -6.209 7.467 546 H GLY 21 H GLY 21 11.689 -0.224 1.971 547 HA2 GLY 21 HA2 GLY 21 9.189 -0.958 2.819 548 HA3 GLY 21 HA3 GLY 21 9.029 0.754 2.421 549 H ILE 22 H ILE 22 7.639 0.255 0.551 550 HA ILE 22 HA ILE 22 9.304 -0.648 -1.687 551 HB ILE 22 HB ILE 22 7.584 -1.817 -2.679 552 HG12 ILE 22 HG12 ILE 22 5.728 -0.211 -0.960 553 HG13 ILE 22 HG13 ILE 22 5.994 -0.031 -2.655 554 HG21 ILE 22 HG21 ILE 22 7.091 -2.132 0.280 555 HG22 ILE 22 HG22 ILE 22 8.202 -3.068 -0.723 556 HG23 ILE 22 HG23 ILE 22 6.458 -3.217 -0.959 557 HD11 ILE 22 HD11 ILE 22 5.029 -2.214 -3.067 558 HD12 ILE 22 HD12 ILE 22 3.903 -1.146 -2.228 559 HD13 ILE 22 HD13 ILE 22 4.750 -2.409 -1.336 560 H HIS 23 H HIS 23 7.861 0.027 -3.738 561 HA HIS 23 HA HIS 23 6.860 2.692 -3.574 562 HB2 HIS 23 HB2 HIS 23 8.644 3.714 -5.004 563 HB3 HIS 23 HB3 HIS 23 9.197 3.281 -3.404 564 HD1 HIS 23 HD1 HIS 23 9.823 2.680 -6.989 565 HD2 HIS 23 HD2 HIS 23 10.919 1.070 -3.343 566 HE1 HIS 23 HE1 HIS 23 11.820 1.235 -7.475 567 HE2 HIS 23 HE2 HIS 23 12.511 0.309 -5.235 568 H LEU 24 H LEU 24 5.231 2.627 -4.960 569 HA LEU 24 HA LEU 24 5.248 0.674 -7.072 570 HB2 LEU 24 HB2 LEU 24 3.141 2.604 -6.123 571 HB3 LEU 24 HB3 LEU 24 2.912 1.392 -7.325 572 HG LEU 24 HG LEU 24 3.564 0.832 -4.450 573 HD11 LEU 24 HD11 LEU 24 1.284 -0.038 -4.338 574 HD12 LEU 24 HD12 LEU 24 1.006 0.474 -6.001 575 HD13 LEU 24 HD13 LEU 24 1.300 1.675 -4.746 576 HD21 LEU 24 HD21 LEU 24 2.969 -1.009 -6.760 577 HD22 LEU 24 HD22 LEU 24 3.053 -1.508 -5.070 578 HD23 LEU 24 HD23 LEU 24 4.490 -0.878 -5.874 579 H TYR 25 H TYR 25 4.110 4.009 -6.979 580 HA TYR 25 HA TYR 25 4.945 4.307 -9.730 581 HB2 TYR 25 HB2 TYR 25 3.262 6.126 -8.054 582 HB3 TYR 25 HB3 TYR 25 3.564 6.323 -9.766 583 HD1 TYR 25 HD1 TYR 25 0.906 6.407 -9.551 584 HD2 TYR 25 HD2 TYR 25 3.260 2.898 -9.077 585 HE1 TYR 25 HE1 TYR 25 -1.064 5.012 -10.026 586 HE2 TYR 25 HE2 TYR 25 1.307 1.501 -9.527 587 HH TYR 25 HH TYR 25 -1.751 2.911 -10.539 588 H THR 26 H THR 26 4.727 7.217 -7.982 589 HA THR 26 HA THR 26 7.641 7.245 -7.657 590 HB THR 26 HB THR 26 6.870 9.059 -9.060 591 HG1 THR 26 HG1 THR 26 7.871 9.627 -6.503 592 HG21 THR 26 HG21 THR 26 4.551 9.145 -8.211 593 HG22 THR 26 HG22 THR 26 5.302 10.735 -8.326 594 HG23 THR 26 HG23 THR 26 5.141 9.950 -6.756 595 H LYS 27 H LYS 27 5.085 6.379 -5.903 596 HA LYS 27 HA LYS 27 5.734 7.983 -3.540 597 HB2 LYS 27 HB2 LYS 27 3.646 6.115 -3.023 598 HB3 LYS 27 HB3 LYS 27 3.591 7.862 -2.998 599 HG2 LYS 27 HG2 LYS 27 3.172 6.112 -5.399 600 HG3 LYS 27 HG3 LYS 27 1.926 6.938 -4.471 601 HD2 LYS 27 HD2 LYS 27 4.162 8.312 -5.928 602 HD3 LYS 27 HD3 LYS 27 2.544 8.097 -6.568 603 HE2 LYS 27 HE2 LYS 27 2.338 9.192 -3.953 604 HE3 LYS 27 HE3 LYS 27 3.539 10.126 -4.841 605 HZ1 LYS 27 HZ1 LYS 27 0.808 9.558 -5.875 606 HZ2 LYS 27 HZ2 LYS 27 1.958 10.594 -6.548 607 HZ3 LYS 27 HZ3 LYS 27 1.238 10.981 -5.073 608 H PHE 28 H PHE 28 5.089 6.587 -1.507 609 HA PHE 28 HA PHE 28 6.586 4.114 -1.541 610 HB2 PHE 28 HB2 PHE 28 8.333 5.703 -1.285 611 HB3 PHE 28 HB3 PHE 28 7.427 6.604 -0.078 612 HD1 PHE 28 HD1 PHE 28 7.520 6.071 2.164 613 HD2 PHE 28 HD2 PHE 28 9.199 3.413 -0.677 614 HE1 PHE 28 HE1 PHE 28 8.543 4.808 3.973 615 HE2 PHE 28 HE2 PHE 28 10.221 2.109 1.136 616 HZ PHE 28 HZ PHE 28 9.870 2.767 3.499 617 H ILE 29 H ILE 29 5.140 2.827 -0.630 618 HA ILE 29 HA ILE 29 3.967 3.532 1.959 619 HB ILE 29 HB ILE 29 3.908 0.895 0.442 620 HG12 ILE 29 HG12 ILE 29 1.326 1.688 0.460 621 HG13 ILE 29 HG13 ILE 29 2.121 3.255 0.361 622 HG21 ILE 29 HG21 ILE 29 2.223 0.171 2.017 623 HG22 ILE 29 HG22 ILE 29 2.322 1.714 2.866 624 HG23 ILE 29 HG23 ILE 29 3.713 0.617 2.868 625 HD11 ILE 29 HD11 ILE 29 1.485 2.094 -1.815 626 HD12 ILE 29 HD12 ILE 29 2.838 1.012 -1.489 627 HD13 ILE 29 HD13 ILE 29 3.118 2.743 -1.680 628 H CYS 30 H CYS 30 5.183 3.130 3.814 629 HA CYS 30 HA CYS 30 7.664 1.802 3.379 630 HB2 CYS 30 HB2 CYS 30 8.308 2.249 5.628 631 HB3 CYS 30 HB3 CYS 30 7.597 3.673 4.920 632 H LEU 31 H LEU 31 8.226 0.191 5.335 633 HA LEU 31 HA LEU 31 7.325 -2.051 3.953 634 HB2 LEU 31 HB2 LEU 31 8.993 -3.163 5.164 635 HB3 LEU 31 HB3 LEU 31 9.595 -1.587 4.823 636 HG LEU 31 HG LEU 31 8.722 -1.056 7.243 637 HD11 LEU 31 HD11 LEU 31 9.259 -4.019 7.407 638 HD12 LEU 31 HD12 LEU 31 7.696 -3.238 7.640 639 HD13 LEU 31 HD13 LEU 31 9.012 -2.931 8.773 640 HD21 LEU 31 HD21 LEU 31 11.012 -0.836 6.525 641 HD22 LEU 31 HD22 LEU 31 11.249 -2.579 6.637 642 HD23 LEU 31 HD23 LEU 31 10.957 -1.633 8.097 643 H ASP 32 H ASP 32 6.074 -0.533 6.672 644 HA ASP 32 HA ASP 32 5.195 -2.940 8.031 645 HB2 ASP 32 HB2 ASP 32 4.568 -1.514 9.813 646 HB3 ASP 32 HB3 ASP 32 6.036 -0.830 9.151 647 H CYS 33 H CYS 33 3.812 -0.146 6.560 648 HA CYS 33 HA CYS 33 1.127 -0.860 6.622 649 HB2 CYS 33 HB2 CYS 33 1.156 0.967 4.737 650 HB3 CYS 33 HB3 CYS 33 1.465 1.425 6.403 651 H GLU 34 H GLU 34 3.754 -1.299 4.474 652 HA GLU 34 HA GLU 34 2.393 -2.037 2.174 653 HB2 GLU 34 HB2 GLU 34 4.790 -1.574 2.194 654 HB3 GLU 34 HB3 GLU 34 5.069 -2.960 3.203 655 HG2 GLU 34 HG2 GLU 34 3.752 -3.526 0.672 656 HG3 GLU 34 HG3 GLU 34 5.401 -2.970 0.561 657 H ARG 35 H ARG 35 3.564 -4.061 4.834 658 HA ARG 35 HA ARG 35 2.137 -6.317 3.832 659 HB2 ARG 35 HB2 ARG 35 2.650 -7.455 5.933 660 HB3 ARG 35 HB3 ARG 35 4.078 -6.717 5.234 661 HG2 ARG 35 HG2 ARG 35 3.780 -4.818 6.820 662 HG3 ARG 35 HG3 ARG 35 2.495 -5.741 7.581 663 HD2 ARG 35 HD2 ARG 35 5.334 -6.589 7.305 664 HD3 ARG 35 HD3 ARG 35 4.577 -6.021 8.778 665 HE ARG 35 HE ARG 35 3.071 -8.163 7.946 666 HH11 ARG 35 HH11 ARG 35 6.412 -7.626 8.859 667 HH12 ARG 35 HH12 ARG 35 6.648 -9.242 9.440 668 HH21 ARG 35 HH21 ARG 35 3.381 -10.298 8.713 669 HH22 ARG 35 HH22 ARG 35 4.923 -10.766 9.351 670 H LYS 36 H LYS 36 1.205 -3.621 5.677 671 HA LYS 36 HA LYS 36 -0.864 -4.763 7.222 672 HB2 LYS 36 HB2 LYS 36 -0.525 -1.965 6.261 673 HB3 LYS 36 HB3 LYS 36 -1.725 -2.463 7.420 674 HG2 LYS 36 HG2 LYS 36 0.238 -3.232 8.818 675 HG3 LYS 36 HG3 LYS 36 1.242 -2.367 7.728 676 HD2 LYS 36 HD2 LYS 36 0.173 -0.387 8.307 677 HD3 LYS 36 HD3 LYS 36 -1.042 -1.195 9.259 678 HE2 LYS 36 HE2 LYS 36 0.759 -2.002 10.746 679 HE3 LYS 36 HE3 LYS 36 1.917 -1.054 9.818 680 HZ1 LYS 36 HZ1 LYS 36 0.784 0.945 10.464 681 HZ2 LYS 36 HZ2 LYS 36 1.184 0.058 11.849 682 HZ3 LYS 36 HZ3 LYS 36 -0.406 0.060 11.280 683 H VAL 37 H VAL 37 -0.600 -3.281 4.124 684 HA VAL 37 HA VAL 37 -3.256 -3.057 3.450 685 HB VAL 37 HB VAL 37 -2.560 -3.082 1.119 686 HG11 VAL 37 HG11 VAL 37 -0.494 -1.550 2.669 687 HG12 VAL 37 HG12 VAL 37 -2.194 -1.067 2.624 688 HG13 VAL 37 HG13 VAL 37 -1.251 -1.114 1.133 689 HG21 VAL 37 HG21 VAL 37 -0.066 -4.200 2.247 690 HG22 VAL 37 HG22 VAL 37 0.008 -3.180 0.809 691 HG23 VAL 37 HG23 VAL 37 -0.971 -4.648 0.793 692 H ILE 38 H ILE 38 -1.043 -5.679 2.842 693 HA ILE 38 HA ILE 38 -2.694 -7.420 1.415 694 HB ILE 38 HB ILE 38 -0.628 -8.404 3.365 695 HG12 ILE 38 HG12 ILE 38 -0.121 -6.889 0.826 696 HG13 ILE 38 HG13 ILE 38 0.531 -6.577 2.415 697 HG21 ILE 38 HG21 ILE 38 -1.517 -9.295 0.643 698 HG22 ILE 38 HG22 ILE 38 -1.770 -10.114 2.181 699 HG23 ILE 38 HG23 ILE 38 -0.147 -9.989 1.504 700 HD11 ILE 38 HD11 ILE 38 1.184 -9.103 0.959 701 HD12 ILE 38 HD12 ILE 38 2.058 -8.318 2.274 702 HD13 ILE 38 HD13 ILE 38 2.070 -7.610 0.655 703 H SER 39 H SER 39 -2.103 -6.756 4.730 704 HA SER 39 HA SER 39 -3.536 -8.996 5.687 705 HB2 SER 39 HB2 SER 39 -1.646 -7.972 6.937 706 HB3 SER 39 HB3 SER 39 -2.646 -6.548 7.218 707 HG SER 39 HG SER 39 -3.602 -9.083 7.963 708 H THR 40 H THR 40 -4.355 -5.913 4.618 709 HA THR 40 HA THR 40 -6.835 -5.659 6.072 710 HB THR 40 HB THR 40 -5.771 -4.105 3.702 711 HG1 THR 40 HG1 THR 40 -4.536 -4.016 5.724 712 HG21 THR 40 HG21 THR 40 -8.199 -3.887 3.927 713 HG22 THR 40 HG22 THR 40 -7.382 -2.383 4.352 714 HG23 THR 40 HG23 THR 40 -8.006 -3.437 5.622 715 H SER 41 H SER 41 -5.819 -6.471 2.764 716 HA SER 41 HA SER 41 -8.561 -6.600 1.865 717 HB2 SER 41 HB2 SER 41 -7.424 -7.166 -0.337 718 HB3 SER 41 HB3 SER 41 -7.034 -5.592 0.362 719 HG SER 41 HG SER 41 -5.103 -6.493 -0.210 720 H THR 42 H THR 42 -5.890 -8.910 2.327 721 HA THR 42 HA THR 42 -7.218 -10.983 0.904 722 HB THR 42 HB THR 42 -5.425 -12.453 1.690 723 HG1 THR 42 HG1 THR 42 -4.359 -10.231 3.112 724 HG21 THR 42 HG21 THR 42 -5.003 -11.010 -0.235 725 HG22 THR 42 HG22 THR 42 -3.533 -11.214 0.719 726 HG23 THR 42 HG23 THR 42 -4.461 -9.718 0.837 727 H SER 43 H SER 43 -7.658 -9.816 4.039 728 HA SER 43 HA SER 43 -8.786 -12.364 4.942 729 HB2 SER 43 HB2 SER 43 -8.928 -11.120 7.170 730 HB3 SER 43 HB3 SER 43 -7.311 -11.501 6.577 731 HG SER 43 HG SER 43 -8.653 -9.019 6.625 732 H ASP 44 H ASP 44 -9.817 -9.925 3.164 733 HA ASP 44 HA ASP 44 -12.562 -10.266 4.042 734 HB2 ASP 44 HB2 ASP 44 -11.673 -8.255 5.279 735 HB3 ASP 44 HB3 ASP 44 -11.445 -7.476 3.716 736 HA PRO 45 HA PRO 45 -12.182 -10.231 -0.478 737 HB2 PRO 45 HB2 PRO 45 -13.813 -12.296 -0.946 738 HB3 PRO 45 HB3 PRO 45 -12.203 -12.543 -0.279 739 HG2 PRO 45 HG2 PRO 45 -14.851 -12.529 1.072 740 HG3 PRO 45 HG3 PRO 45 -13.471 -13.596 1.298 741 HD2 PRO 45 HD2 PRO 45 -14.081 -11.431 2.912 742 HD3 PRO 45 HD3 PRO 45 -12.481 -12.188 2.793 743 H ASP 46 H ASP 46 -14.119 -8.594 1.195 744 HA ASP 46 HA ASP 46 -16.616 -8.729 -0.239 745 HB2 ASP 46 HB2 ASP 46 -16.193 -7.894 2.201 746 HB3 ASP 46 HB3 ASP 46 -15.773 -6.372 1.427 747 H TYR 47 H TYR 47 -17.378 -6.342 -1.005 748 HA TYR 47 HA TYR 47 -17.425 -5.138 -2.887 749 HB2 TYR 47 HB2 TYR 47 -14.627 -4.482 -2.036 750 HB3 TYR 47 HB3 TYR 47 -15.668 -3.528 -3.066 751 HD1 TYR 47 HD1 TYR 47 -17.922 -2.757 -2.055 752 HD2 TYR 47 HD2 TYR 47 -14.601 -4.055 0.261 753 HE1 TYR 47 HE1 TYR 47 -18.840 -1.588 -0.098 754 HE2 TYR 47 HE2 TYR 47 -15.511 -2.889 2.225 755 HH TYR 47 HH TYR 47 -18.679 -1.726 2.367 756 H ALA 48 H ALA 48 -17.353 -7.404 -3.875 757 HA ALA 48 HA ALA 48 -15.115 -7.539 -5.780 758 HB1 ALA 48 HB1 ALA 48 -16.896 -9.782 -4.828 759 HB2 ALA 48 HB2 ALA 48 -15.235 -9.496 -4.314 760 HB3 ALA 48 HB3 ALA 48 -15.577 -9.928 -5.989 Start of MODEL 10 1 H1 SER 0 H1 SER 0 -0.306 14.283 -1.304 2 H2 SER 0 H2 SER 0 1.211 14.213 -2.062 3 H3 SER 0 H3 SER 0 -0.086 13.301 -2.664 4 HA SER 0 HA SER 0 0.169 16.240 -2.666 5 HB2 SER 0 HB2 SER 0 1.441 15.017 -4.428 6 HB3 SER 0 HB3 SER 0 -0.060 14.252 -4.948 7 HG SER 0 HG SER 0 0.455 17.052 -4.923 8 H MET 1 H MET 1 -1.672 17.378 -2.847 9 HA MET 1 HA MET 1 -3.870 17.853 -2.627 10 HB2 MET 1 HB2 MET 1 -4.275 15.283 -4.171 11 HB3 MET 1 HB3 MET 1 -5.543 16.445 -3.809 12 HG2 MET 1 HG2 MET 1 -4.395 18.135 -5.122 13 HG3 MET 1 HG3 MET 1 -3.084 17.005 -5.453 14 HE1 MET 1 HE1 MET 1 -4.869 14.312 -7.672 15 HE2 MET 1 HE2 MET 1 -4.727 14.266 -5.915 16 HE3 MET 1 HE3 MET 1 -3.363 14.801 -6.895 17 H ASP 2 H ASP 2 -4.697 14.481 -2.605 18 HA ASP 2 HA ASP 2 -5.806 13.260 -1.019 19 HB2 ASP 2 HB2 ASP 2 -4.257 12.443 0.724 20 HB3 ASP 2 HB3 ASP 2 -3.545 12.448 -0.880 21 H GLU 3 H GLU 3 -6.878 15.708 -0.733 22 HA GLU 3 HA GLU 3 -7.000 16.066 2.177 23 HB2 GLU 3 HB2 GLU 3 -7.771 18.413 1.652 24 HB3 GLU 3 HB3 GLU 3 -6.082 18.058 1.317 25 HG2 GLU 3 HG2 GLU 3 -6.568 17.795 -1.020 26 HG3 GLU 3 HG3 GLU 3 -8.284 18.054 -0.727 27 H THR 4 H THR 4 -8.818 15.407 3.046 28 HA THR 4 HA THR 4 -10.976 14.765 3.333 29 HB THR 4 HB THR 4 -11.701 16.973 1.403 30 HG1 THR 4 HG1 THR 4 -10.243 17.193 3.610 31 HG21 THR 4 HG21 THR 4 -13.674 17.189 2.845 32 HG22 THR 4 HG22 THR 4 -13.085 15.866 3.852 33 HG23 THR 4 HG23 THR 4 -13.550 15.560 2.178 34 H VAL 5 H VAL 5 -10.126 12.897 1.994 35 HA VAL 5 HA VAL 5 -11.063 12.763 -0.729 36 HB VAL 5 HB VAL 5 -10.049 10.476 -0.702 37 HG11 VAL 5 HG11 VAL 5 -8.811 12.412 -1.499 38 HG12 VAL 5 HG12 VAL 5 -7.738 11.296 -0.655 39 HG13 VAL 5 HG13 VAL 5 -8.287 12.768 0.146 40 HG21 VAL 5 HG21 VAL 5 -10.298 10.088 1.723 41 HG22 VAL 5 HG22 VAL 5 -9.059 11.308 2.014 42 HG23 VAL 5 HG23 VAL 5 -8.652 9.825 1.153 43 H LYS 6 H LYS 6 -13.266 13.149 0.366 44 HA LYS 6 HA LYS 6 -14.547 10.835 1.503 45 HB2 LYS 6 HB2 LYS 6 -16.560 12.296 1.515 46 HB3 LYS 6 HB3 LYS 6 -15.177 13.024 2.307 47 HG2 LYS 6 HG2 LYS 6 -14.731 14.209 0.109 48 HG3 LYS 6 HG3 LYS 6 -16.346 13.688 -0.350 49 HD2 LYS 6 HD2 LYS 6 -15.705 15.316 2.096 50 HD3 LYS 6 HD3 LYS 6 -16.290 15.984 0.579 51 HE2 LYS 6 HE2 LYS 6 -18.331 14.689 0.801 52 HE3 LYS 6 HE3 LYS 6 -17.741 13.981 2.298 53 HZ1 LYS 6 HZ1 LYS 6 -17.753 16.149 3.312 54 HZ2 LYS 6 HZ2 LYS 6 -19.284 15.828 2.670 55 HZ3 LYS 6 HZ3 LYS 6 -18.232 16.876 1.863 56 H LEU 7 H LEU 7 -16.598 10.005 0.613 57 HA LEU 7 HA LEU 7 -17.727 8.867 -0.963 58 HB2 LEU 7 HB2 LEU 7 -18.311 11.061 -1.816 59 HB3 LEU 7 HB3 LEU 7 -16.866 11.074 -2.774 60 HG LEU 7 HG LEU 7 -17.729 9.104 -4.032 61 HD11 LEU 7 HD11 LEU 7 -20.130 8.638 -3.829 62 HD12 LEU 7 HD12 LEU 7 -20.201 9.734 -2.448 63 HD13 LEU 7 HD13 LEU 7 -19.237 8.263 -2.355 64 HD21 LEU 7 HD21 LEU 7 -19.426 11.596 -4.047 65 HD22 LEU 7 HD22 LEU 7 -19.360 10.392 -5.333 66 HD23 LEU 7 HD23 LEU 7 -17.929 11.345 -4.945 67 H ASN 8 H ASN 8 -15.475 9.946 -3.443 68 HA ASN 8 HA ASN 8 -14.414 7.214 -3.549 69 HB2 ASN 8 HB2 ASN 8 -13.889 9.440 -5.526 70 HB3 ASN 8 HB3 ASN 8 -13.552 7.740 -5.737 71 HD21 ASN 8 HD21 ASN 8 -15.088 9.525 -7.392 72 HD22 ASN 8 HD22 ASN 8 -16.661 8.825 -7.511 73 H HIS 9 H HIS 9 -12.784 7.024 -2.145 74 HA HIS 9 HA HIS 9 -11.178 9.193 -1.302 75 HB2 HIS 9 HB2 HIS 9 -10.578 6.249 -1.068 76 HB3 HIS 9 HB3 HIS 9 -9.800 7.531 -0.163 77 HD1 HIS 9 HD1 HIS 9 -10.746 7.977 2.081 78 HD2 HIS 9 HD2 HIS 9 -13.481 6.069 -0.400 79 HE1 HIS 9 HE1 HIS 9 -12.751 7.511 3.519 80 HE2 HIS 9 HE2 HIS 9 -14.318 6.208 2.043 81 H THR 10 H THR 10 -9.312 9.940 -2.087 82 HA THR 10 HA THR 10 -8.545 9.091 -4.719 83 HB THR 10 HB THR 10 -7.153 11.143 -2.973 84 HG1 THR 10 HG1 THR 10 -8.583 12.561 -4.427 85 HG21 THR 10 HG21 THR 10 -5.914 10.465 -4.981 86 HG22 THR 10 HG22 THR 10 -6.479 12.130 -5.111 87 HG23 THR 10 HG23 THR 10 -7.320 10.844 -5.976 88 H CYS 11 H CYS 11 -6.897 7.838 -5.270 89 HA CYS 11 HA CYS 11 -5.570 6.278 -3.299 90 HB2 CYS 11 HB2 CYS 11 -6.113 5.667 -5.710 91 HB3 CYS 11 HB3 CYS 11 -4.742 6.650 -6.163 92 H VAL 12 H VAL 12 -3.801 6.714 -2.174 93 HA VAL 12 HA VAL 12 -2.216 9.015 -2.462 94 HB VAL 12 HB VAL 12 -0.566 7.847 -1.012 95 HG11 VAL 12 HG11 VAL 12 -3.443 7.628 -0.151 96 HG12 VAL 12 HG12 VAL 12 -2.380 9.021 0.048 97 HG13 VAL 12 HG13 VAL 12 -2.054 7.528 0.931 98 HG21 VAL 12 HG21 VAL 12 -0.797 5.596 -1.881 99 HG22 VAL 12 HG22 VAL 12 -2.453 5.512 -1.285 100 HG23 VAL 12 HG23 VAL 12 -1.111 5.612 -0.146 101 H ILE 13 H ILE 13 -2.323 6.183 -4.318 102 HA ILE 13 HA ILE 13 0.475 6.299 -5.077 103 HB ILE 13 HB ILE 13 -1.524 4.354 -6.112 104 HG12 ILE 13 HG12 ILE 13 -1.567 4.374 -3.637 105 HG13 ILE 13 HG13 ILE 13 -0.960 2.874 -4.311 106 HG21 ILE 13 HG21 ILE 13 0.416 2.976 -6.512 107 HG22 ILE 13 HG22 ILE 13 1.450 4.166 -5.723 108 HG23 ILE 13 HG23 ILE 13 0.657 4.562 -7.247 109 HD11 ILE 13 HD11 ILE 13 0.262 3.788 -2.338 110 HD12 ILE 13 HD12 ILE 13 0.835 5.068 -3.411 111 HD13 ILE 13 HD13 ILE 13 1.238 3.386 -3.751 112 H CYS 14 H CYS 14 -2.604 5.962 -6.823 113 HA CYS 14 HA CYS 14 -1.272 7.044 -9.136 114 HB2 CYS 14 HB2 CYS 14 -3.128 6.063 -10.426 115 HB3 CYS 14 HB3 CYS 14 -2.241 4.885 -9.493 116 H ASP 15 H ASP 15 -2.895 8.263 -6.702 117 HA ASP 15 HA ASP 15 -4.048 10.152 -6.275 118 HB2 ASP 15 HB2 ASP 15 -2.739 10.954 -8.826 119 HB3 ASP 15 HB3 ASP 15 -3.568 12.079 -7.771 120 H GLN 16 H GLN 16 -5.518 8.130 -7.654 121 HA GLN 16 HA GLN 16 -7.429 9.728 -9.173 122 HB2 GLN 16 HB2 GLN 16 -7.013 6.740 -9.075 123 HB3 GLN 16 HB3 GLN 16 -8.219 7.561 -10.049 124 HG2 GLN 16 HG2 GLN 16 -5.257 7.780 -10.308 125 HG3 GLN 16 HG3 GLN 16 -6.341 6.939 -11.393 126 HE21 GLN 16 HE21 GLN 16 -4.473 9.076 -11.931 127 HE22 GLN 16 HE22 GLN 16 -5.408 10.349 -12.619 128 H GLU 17 H GLU 17 -9.589 9.587 -8.643 129 HA GLU 17 HA GLU 17 -10.130 9.167 -5.852 130 HB2 GLU 17 HB2 GLU 17 -11.787 10.326 -8.087 131 HB3 GLU 17 HB3 GLU 17 -12.372 10.139 -6.440 132 HG2 GLU 17 HG2 GLU 17 -10.734 11.632 -5.598 133 HG3 GLU 17 HG3 GLU 17 -9.905 11.675 -7.149 134 H LYS 18 H LYS 18 -10.516 7.271 -5.250 135 HA LYS 18 HA LYS 18 -12.155 5.445 -6.880 136 HB2 LYS 18 HB2 LYS 18 -10.146 4.338 -5.063 137 HB3 LYS 18 HB3 LYS 18 -10.726 3.711 -6.574 138 HG2 LYS 18 HG2 LYS 18 -8.785 5.969 -6.248 139 HG3 LYS 18 HG3 LYS 18 -8.384 4.317 -6.700 140 HD2 LYS 18 HD2 LYS 18 -10.311 5.907 -8.303 141 HD3 LYS 18 HD3 LYS 18 -8.602 6.112 -8.520 142 HE2 LYS 18 HE2 LYS 18 -9.479 4.569 -10.151 143 HE3 LYS 18 HE3 LYS 18 -8.391 3.776 -9.040 144 HZ1 LYS 18 HZ1 LYS 18 -11.334 3.678 -8.771 145 HZ2 LYS 18 HZ2 LYS 18 -10.199 2.745 -7.931 146 HZ3 LYS 18 HZ3 LYS 18 -10.433 2.502 -9.582 147 H ASN 19 H ASN 19 -13.847 4.506 -5.849 148 HA ASN 19 HA ASN 19 -14.002 4.838 -2.943 149 HB2 ASN 19 HB2 ASN 19 -16.345 4.329 -3.121 150 HB3 ASN 19 HB3 ASN 19 -15.951 5.500 -4.370 151 HD21 ASN 19 HD21 ASN 19 -18.128 3.522 -4.106 152 HD22 ASN 19 HD22 ASN 19 -18.056 2.565 -5.579 153 H ARG 20 H ARG 20 -12.407 2.812 -4.638 154 HA ARG 20 HA ARG 20 -13.203 0.452 -3.097 155 HB2 ARG 20 HB2 ARG 20 -14.010 0.573 -5.598 156 HB3 ARG 20 HB3 ARG 20 -12.356 0.104 -5.930 157 HG2 ARG 20 HG2 ARG 20 -12.606 -1.920 -4.706 158 HG3 ARG 20 HG3 ARG 20 -14.173 -1.411 -4.105 159 HD2 ARG 20 HD2 ARG 20 -15.197 -1.606 -6.166 160 HD3 ARG 20 HD3 ARG 20 -13.655 -1.634 -6.990 161 HE ARG 20 HE ARG 20 -14.001 -3.854 -5.225 162 HH11 ARG 20 HH11 ARG 20 -14.706 -2.653 -8.435 163 HH12 ARG 20 HH12 ARG 20 -14.898 -4.232 -9.122 164 HH21 ARG 20 HH21 ARG 20 -14.256 -5.934 -6.122 165 HH22 ARG 20 HH22 ARG 20 -14.652 -6.101 -7.803 166 H GLY 21 H GLY 21 -11.571 -0.301 -2.016 167 HA2 GLY 21 HA2 GLY 21 -9.105 -1.109 -2.658 168 HA3 GLY 21 HA3 GLY 21 -8.855 0.625 -2.502 169 H ILE 22 H ILE 22 -7.512 0.261 -0.494 170 HA ILE 22 HA ILE 22 -9.292 -0.393 1.749 171 HB ILE 22 HB ILE 22 -7.657 -1.517 2.900 172 HG12 ILE 22 HG12 ILE 22 -5.601 -0.207 1.156 173 HG13 ILE 22 HG13 ILE 22 -6.054 0.338 2.736 174 HG21 ILE 22 HG21 ILE 22 -7.223 -2.020 -0.021 175 HG22 ILE 22 HG22 ILE 22 -8.109 -2.995 1.153 176 HG23 ILE 22 HG23 ILE 22 -6.343 -2.936 1.203 177 HD11 ILE 22 HD11 ILE 22 -4.591 -2.136 1.977 178 HD12 ILE 22 HD12 ILE 22 -5.364 -1.950 3.551 179 HD13 ILE 22 HD13 ILE 22 -4.082 -0.838 3.065 180 H HIS 23 H HIS 23 -7.910 0.332 3.782 181 HA HIS 23 HA HIS 23 -6.920 3.010 3.590 182 HB2 HIS 23 HB2 HIS 23 -8.710 3.898 5.169 183 HB3 HIS 23 HB3 HIS 23 -9.212 3.641 3.514 184 HD1 HIS 23 HD1 HIS 23 -9.844 2.507 7.003 185 HD2 HIS 23 HD2 HIS 23 -11.027 1.576 3.150 186 HE1 HIS 23 HE1 HIS 23 -11.894 1.079 7.263 187 HE2 HIS 23 HE2 HIS 23 -12.567 0.465 4.912 188 H LEU 24 H LEU 24 -5.174 2.721 4.821 189 HA LEU 24 HA LEU 24 -5.084 0.797 6.942 190 HB2 LEU 24 HB2 LEU 24 -3.202 2.651 5.619 191 HB3 LEU 24 HB3 LEU 24 -2.861 2.321 7.275 192 HG LEU 24 HG LEU 24 -1.831 0.447 6.737 193 HD11 LEU 24 HD11 LEU 24 -4.251 -0.384 5.212 194 HD12 LEU 24 HD12 LEU 24 -3.869 -0.752 6.898 195 HD13 LEU 24 HD13 LEU 24 -2.859 -1.400 5.605 196 HD21 LEU 24 HD21 LEU 24 -1.168 1.716 4.812 197 HD22 LEU 24 HD22 LEU 24 -2.547 1.080 3.913 198 HD23 LEU 24 HD23 LEU 24 -1.270 -0.009 4.463 199 H TYR 25 H TYR 25 -4.415 4.239 6.828 200 HA TYR 25 HA TYR 25 -5.294 4.509 9.593 201 HB2 TYR 25 HB2 TYR 25 -3.615 6.404 8.001 202 HB3 TYR 25 HB3 TYR 25 -3.963 6.532 9.709 203 HD1 TYR 25 HD1 TYR 25 -3.353 3.181 8.686 204 HD2 TYR 25 HD2 TYR 25 -1.376 6.761 9.791 205 HE1 TYR 25 HE1 TYR 25 -1.323 1.892 9.081 206 HE2 TYR 25 HE2 TYR 25 0.671 5.486 10.243 207 HH TYR 25 HH TYR 25 1.197 2.398 9.154 208 H THR 26 H THR 26 -5.017 7.389 7.928 209 HA THR 26 HA THR 26 -7.898 7.466 7.397 210 HB THR 26 HB THR 26 -7.398 9.208 8.884 211 HG1 THR 26 HG1 THR 26 -7.677 9.993 6.226 212 HG21 THR 26 HG21 THR 26 -4.995 9.896 7.201 213 HG22 THR 26 HG22 THR 26 -4.967 9.039 8.744 214 HG23 THR 26 HG23 THR 26 -5.504 10.722 8.675 215 H LYS 27 H LYS 27 -5.503 6.402 5.745 216 HA LYS 27 HA LYS 27 -5.767 8.192 3.420 217 HB2 LYS 27 HB2 LYS 27 -3.684 6.200 3.138 218 HB3 LYS 27 HB3 LYS 27 -3.604 7.941 2.941 219 HG2 LYS 27 HG2 LYS 27 -3.485 6.546 5.579 220 HG3 LYS 27 HG3 LYS 27 -2.083 7.010 4.638 221 HD2 LYS 27 HD2 LYS 27 -4.178 8.915 5.629 222 HD3 LYS 27 HD3 LYS 27 -2.622 8.643 6.404 223 HE2 LYS 27 HE2 LYS 27 -2.213 9.169 3.629 224 HE3 LYS 27 HE3 LYS 27 -3.237 10.429 4.312 225 HZ1 LYS 27 HZ1 LYS 27 -0.582 9.572 5.361 226 HZ2 LYS 27 HZ2 LYS 27 -1.554 10.776 6.040 227 HZ3 LYS 27 HZ3 LYS 27 -0.888 10.995 4.502 228 H PHE 28 H PHE 28 -5.003 6.718 1.418 229 HA PHE 28 HA PHE 28 -6.664 4.335 1.317 230 HB2 PHE 28 HB2 PHE 28 -8.248 6.133 0.892 231 HB3 PHE 28 HB3 PHE 28 -7.198 6.797 -0.353 232 HD1 PHE 28 HD1 PHE 28 -9.281 3.859 0.505 233 HD2 PHE 28 HD2 PHE 28 -7.263 6.017 -2.557 234 HE1 PHE 28 HE1 PHE 28 -10.343 2.435 -1.199 235 HE2 PHE 28 HE2 PHE 28 -8.316 4.602 -4.257 236 HZ PHE 28 HZ PHE 28 -9.852 2.794 -3.594 237 H ILE 29 H ILE 29 -5.392 2.887 0.348 238 HA ILE 29 HA ILE 29 -4.076 3.697 -2.162 239 HB ILE 29 HB ILE 29 -3.882 1.026 -0.740 240 HG12 ILE 29 HG12 ILE 29 -1.370 1.856 -0.627 241 HG13 ILE 29 HG13 ILE 29 -2.123 3.445 -0.680 242 HG21 ILE 29 HG21 ILE 29 -2.157 0.507 -2.381 243 HG22 ILE 29 HG22 ILE 29 -2.392 2.082 -3.137 244 HG23 ILE 29 HG23 ILE 29 -3.695 0.885 -3.173 245 HD11 ILE 29 HD11 ILE 29 -1.659 2.640 1.602 246 HD12 ILE 29 HD12 ILE 29 -2.788 1.314 1.333 247 HD13 ILE 29 HD13 ILE 29 -3.364 2.982 1.318 248 H CYS 30 H CYS 30 -5.133 3.184 -4.038 249 HA CYS 30 HA CYS 30 -7.712 1.992 -3.815 250 HB2 CYS 30 HB2 CYS 30 -8.029 2.429 -6.067 251 HB3 CYS 30 HB3 CYS 30 -6.874 3.671 -5.612 252 H LEU 31 H LEU 31 -8.394 0.166 -4.864 253 HA LEU 31 HA LEU 31 -7.308 -2.063 -3.789 254 HB2 LEU 31 HB2 LEU 31 -9.091 -3.153 -4.750 255 HB3 LEU 31 HB3 LEU 31 -9.631 -1.505 -4.737 256 HG LEU 31 HG LEU 31 -8.606 -1.524 -7.191 257 HD11 LEU 31 HD11 LEU 31 -7.832 -3.834 -7.094 258 HD12 LEU 31 HD12 LEU 31 -9.080 -3.627 -8.323 259 HD13 LEU 31 HD13 LEU 31 -9.480 -4.379 -6.779 260 HD21 LEU 31 HD21 LEU 31 -10.859 -0.893 -6.673 261 HD22 LEU 31 HD22 LEU 31 -11.308 -2.574 -6.393 262 HD23 LEU 31 HD23 LEU 31 -10.875 -2.036 -8.014 263 H ASP 32 H ASP 32 -6.370 -0.559 -6.681 264 HA ASP 32 HA ASP 32 -5.386 -2.955 -7.979 265 HB2 ASP 32 HB2 ASP 32 -6.395 -0.923 -9.167 266 HB3 ASP 32 HB3 ASP 32 -4.857 -0.157 -8.843 267 H CYS 33 H CYS 33 -4.175 0.037 -6.684 268 HA CYS 33 HA CYS 33 -1.425 -0.618 -6.851 269 HB2 CYS 33 HB2 CYS 33 -2.815 1.471 -5.185 270 HB3 CYS 33 HB3 CYS 33 -1.098 1.344 -5.434 271 H GLU 34 H GLU 34 -3.937 -0.915 -4.531 272 HA GLU 34 HA GLU 34 -2.454 -1.676 -2.333 273 HB2 GLU 34 HB2 GLU 34 -4.798 -1.102 -2.165 274 HB3 GLU 34 HB3 GLU 34 -5.242 -2.456 -3.188 275 HG2 GLU 34 HG2 GLU 34 -3.806 -3.060 -0.669 276 HG3 GLU 34 HG3 GLU 34 -5.468 -2.510 -0.556 277 H ARG 35 H ARG 35 -3.651 -3.563 -5.054 278 HA ARG 35 HA ARG 35 -2.387 -5.950 -4.094 279 HB2 ARG 35 HB2 ARG 35 -3.607 -5.255 -6.762 280 HB3 ARG 35 HB3 ARG 35 -2.842 -6.806 -6.443 281 HG2 ARG 35 HG2 ARG 35 -4.442 -7.265 -4.696 282 HG3 ARG 35 HG3 ARG 35 -5.180 -5.686 -4.914 283 HD2 ARG 35 HD2 ARG 35 -5.931 -6.285 -7.071 284 HD3 ARG 35 HD3 ARG 35 -5.000 -7.774 -7.067 285 HE ARG 35 HE ARG 35 -6.656 -7.979 -4.904 286 HH11 ARG 35 HH11 ARG 35 -7.151 -7.437 -8.320 287 HH12 ARG 35 HH12 ARG 35 -8.690 -8.234 -8.350 288 HH21 ARG 35 HH21 ARG 35 -8.652 -9.060 -4.945 289 HH22 ARG 35 HH22 ARG 35 -9.542 -9.167 -6.432 290 H LYS 36 H LYS 36 -1.400 -3.277 -5.985 291 HA LYS 36 HA LYS 36 0.633 -4.408 -7.523 292 HB2 LYS 36 HB2 LYS 36 0.183 -1.655 -6.403 293 HB3 LYS 36 HB3 LYS 36 1.521 -2.040 -7.443 294 HG2 LYS 36 HG2 LYS 36 -0.158 -2.751 -9.174 295 HG3 LYS 36 HG3 LYS 36 -1.364 -2.088 -8.115 296 HD2 LYS 36 HD2 LYS 36 -0.666 0.047 -8.334 297 HD3 LYS 36 HD3 LYS 36 0.893 -0.470 -8.894 298 HE2 LYS 36 HE2 LYS 36 -1.684 -0.787 -10.386 299 HE3 LYS 36 HE3 LYS 36 -0.491 0.457 -10.693 300 HZ1 LYS 36 HZ1 LYS 36 1.105 -1.307 -11.250 301 HZ2 LYS 36 HZ2 LYS 36 -0.241 -1.311 -12.274 302 HZ3 LYS 36 HZ3 LYS 36 -0.116 -2.460 -11.040 303 H VAL 37 H VAL 37 0.435 -2.999 -4.376 304 HA VAL 37 HA VAL 37 3.096 -2.849 -3.748 305 HB VAL 37 HB VAL 37 2.426 -2.857 -1.405 306 HG11 VAL 37 HG11 VAL 37 2.101 -0.834 -2.889 307 HG12 VAL 37 HG12 VAL 37 1.104 -0.873 -1.434 308 HG13 VAL 37 HG13 VAL 37 0.400 -1.299 -2.997 309 HG21 VAL 37 HG21 VAL 37 -0.125 -2.943 -1.036 310 HG22 VAL 37 HG22 VAL 37 0.814 -4.432 -1.100 311 HG23 VAL 37 HG23 VAL 37 -0.114 -3.915 -2.513 312 H ILE 38 H ILE 38 0.844 -5.424 -3.166 313 HA ILE 38 HA ILE 38 2.456 -7.191 -1.728 314 HB ILE 38 HB ILE 38 0.310 -8.142 -3.598 315 HG12 ILE 38 HG12 ILE 38 -0.101 -6.531 -1.092 316 HG13 ILE 38 HG13 ILE 38 -0.784 -6.263 -2.678 317 HG21 ILE 38 HG21 ILE 38 -0.187 -9.647 -1.664 318 HG22 ILE 38 HG22 ILE 38 1.253 -8.995 -0.887 319 HG23 ILE 38 HG23 ILE 38 1.395 -9.870 -2.407 320 HD11 ILE 38 HD11 ILE 38 -2.343 -7.961 -2.430 321 HD12 ILE 38 HD12 ILE 38 -2.294 -7.197 -0.835 322 HD13 ILE 38 HD13 ILE 38 -1.449 -8.717 -1.116 323 H SER 39 H SER 39 2.059 -6.432 -5.049 324 HA SER 39 HA SER 39 3.363 -8.803 -5.931 325 HB2 SER 39 HB2 SER 39 1.498 -7.922 -7.239 326 HB3 SER 39 HB3 SER 39 2.369 -6.412 -7.483 327 HG SER 39 HG SER 39 3.443 -8.891 -8.311 328 H THR 40 H THR 40 4.102 -5.455 -5.451 329 HA THR 40 HA THR 40 6.587 -5.492 -6.906 330 HB THR 40 HB THR 40 5.387 -3.431 -5.052 331 HG1 THR 40 HG1 THR 40 4.174 -3.868 -6.970 332 HG21 THR 40 HG21 THR 40 7.831 -3.172 -5.302 333 HG22 THR 40 HG22 THR 40 6.930 -1.840 -6.023 334 HG23 THR 40 HG23 THR 40 7.623 -3.095 -7.053 335 H SER 41 H SER 41 5.539 -6.032 -3.649 336 HA SER 41 HA SER 41 7.985 -5.455 -2.350 337 HB2 SER 41 HB2 SER 41 5.742 -5.429 -1.277 338 HB3 SER 41 HB3 SER 41 5.794 -7.177 -1.349 339 HG SER 41 HG SER 41 6.676 -5.783 0.593 340 H THR 42 H THR 42 7.137 -8.022 -4.320 341 HA THR 42 HA THR 42 8.268 -10.165 -2.800 342 HB THR 42 HB THR 42 7.864 -11.535 -4.789 343 HG1 THR 42 HG1 THR 42 8.269 -10.246 -6.517 344 HG21 THR 42 HG21 THR 42 5.999 -11.092 -3.278 345 HG22 THR 42 HG22 THR 42 5.432 -11.195 -4.944 346 HG23 THR 42 HG23 THR 42 5.610 -9.619 -4.169 347 H SER 43 H SER 43 10.171 -8.158 -3.024 348 HA SER 43 HA SER 43 12.385 -9.660 -4.026 349 HB2 SER 43 HB2 SER 43 11.572 -8.523 -6.111 350 HB3 SER 43 HB3 SER 43 11.847 -6.971 -5.320 351 HG SER 43 HG SER 43 13.811 -8.963 -5.842 352 H ASP 44 H ASP 44 13.227 -9.533 -1.986 353 HA ASP 44 HA ASP 44 14.168 -6.879 -1.182 354 HB2 ASP 44 HB2 ASP 44 13.601 -7.220 1.127 355 HB3 ASP 44 HB3 ASP 44 12.149 -7.503 0.178 356 HA PRO 45 HA PRO 45 17.938 -9.198 -0.892 357 HB2 PRO 45 HB2 PRO 45 19.502 -7.154 -0.001 358 HB3 PRO 45 HB3 PRO 45 19.006 -7.339 -1.682 359 HG2 PRO 45 HG2 PRO 45 18.031 -5.466 0.374 360 HG3 PRO 45 HG3 PRO 45 18.094 -5.281 -1.378 361 HD2 PRO 45 HD2 PRO 45 15.837 -5.889 0.149 362 HD3 PRO 45 HD3 PRO 45 15.990 -6.036 -1.605 363 H ASP 46 H ASP 46 19.653 -9.626 0.735 364 HA ASP 46 HA ASP 46 18.462 -10.078 3.321 365 HB2 ASP 46 HB2 ASP 46 21.189 -10.747 2.204 366 HB3 ASP 46 HB3 ASP 46 20.684 -11.156 3.839 367 H TYR 47 H TYR 47 20.655 -7.853 1.867 368 HA TYR 47 HA TYR 47 21.094 -6.576 4.477 369 HB2 TYR 47 HB2 TYR 47 22.750 -6.529 1.978 370 HB3 TYR 47 HB3 TYR 47 23.001 -5.399 3.297 371 HD1 TYR 47 HD1 TYR 47 24.144 -6.056 5.271 372 HD2 TYR 47 HD2 TYR 47 23.145 -8.966 2.335 373 HE1 TYR 47 HE1 TYR 47 25.601 -7.682 6.397 374 HE2 TYR 47 HE2 TYR 47 24.595 -10.601 3.456 375 HH TYR 47 HH TYR 47 25.902 -10.066 6.576 376 H ALA 48 H ALA 48 19.385 -5.222 4.633 377 HA ALA 48 HA ALA 48 18.649 -3.556 2.362 378 HB1 ALA 48 HB1 ALA 48 17.431 -3.756 5.115 379 HB2 ALA 48 HB2 ALA 48 16.854 -4.571 3.662 380 HB3 ALA 48 HB3 ALA 48 16.788 -2.812 3.771 381 H1 SER 0 H1 SER 0 0.471 14.279 1.013 382 H2 SER 0 H2 SER 0 -1.046 14.234 1.775 383 H3 SER 0 H3 SER 0 0.237 13.304 2.377 384 HA SER 0 HA SER 0 0.033 16.245 2.369 385 HB2 SER 0 HB2 SER 0 -1.261 15.047 4.133 386 HB3 SER 0 HB3 SER 0 0.228 14.265 4.659 387 HG SER 0 HG SER 0 -0.227 17.077 4.613 388 H MET 1 H MET 1 1.890 17.349 2.552 389 HA MET 1 HA MET 1 4.095 17.790 2.321 390 HB2 MET 1 HB2 MET 1 4.459 15.217 3.872 391 HB3 MET 1 HB3 MET 1 5.747 16.355 3.506 392 HG2 MET 1 HG2 MET 1 4.628 18.069 4.814 393 HG3 MET 1 HG3 MET 1 3.299 16.961 5.149 394 HE1 MET 1 HE1 MET 1 5.036 14.246 7.376 395 HE2 MET 1 HE2 MET 1 4.889 14.198 5.621 396 HE3 MET 1 HE3 MET 1 3.538 14.762 6.601 397 H ASP 2 H ASP 2 4.860 14.406 2.308 398 HA ASP 2 HA ASP 2 5.950 13.158 0.730 399 HB2 ASP 2 HB2 ASP 2 4.387 12.359 -1.012 400 HB3 ASP 2 HB3 ASP 2 3.675 12.382 0.594 401 H GLU 3 H GLU 3 7.068 15.584 0.434 402 HA GLU 3 HA GLU 3 7.189 15.934 -2.478 403 HB2 GLU 3 HB2 GLU 3 7.999 18.270 -1.963 404 HB3 GLU 3 HB3 GLU 3 6.304 17.945 -1.618 405 HG2 GLU 3 HG2 GLU 3 6.797 17.680 0.715 406 HG3 GLU 3 HG3 GLU 3 8.518 17.902 0.415 407 H THR 4 H THR 4 8.994 15.239 -3.352 408 HA THR 4 HA THR 4 11.147 14.559 -3.635 409 HB THR 4 HB THR 4 11.906 16.760 -1.707 410 HG1 THR 4 HG1 THR 4 10.448 17.001 -3.906 411 HG21 THR 4 HG21 THR 4 13.883 16.940 -3.151 412 HG22 THR 4 HG22 THR 4 13.271 15.623 -4.151 413 HG23 THR 4 HG23 THR 4 13.732 15.315 -2.477 414 H VAL 5 H VAL 5 10.263 12.710 -2.286 415 HA VAL 5 HA VAL 5 11.200 12.573 0.435 416 HB VAL 5 HB VAL 5 10.147 10.302 0.421 417 HG11 VAL 5 HG11 VAL 5 8.941 12.260 1.210 418 HG12 VAL 5 HG12 VAL 5 7.849 11.159 0.369 419 HG13 VAL 5 HG13 VAL 5 8.423 12.619 -0.437 420 HG21 VAL 5 HG21 VAL 5 10.389 9.899 -2.003 421 HG22 VAL 5 HG22 VAL 5 9.167 11.134 -2.298 422 HG23 VAL 5 HG23 VAL 5 8.739 9.662 -1.428 423 H LYS 6 H LYS 6 13.409 12.916 -0.657 424 HA LYS 6 HA LYS 6 14.648 10.574 -1.789 425 HB2 LYS 6 HB2 LYS 6 16.687 11.998 -1.807 426 HB3 LYS 6 HB3 LYS 6 15.317 12.746 -2.602 427 HG2 LYS 6 HG2 LYS 6 14.892 13.949 -0.409 428 HG3 LYS 6 HG3 LYS 6 16.500 13.403 0.051 429 HD2 LYS 6 HD2 LYS 6 15.878 15.029 -2.407 430 HD3 LYS 6 HD3 LYS 6 16.481 15.687 -0.892 431 HE2 LYS 6 HE2 LYS 6 18.504 14.358 -1.099 432 HE3 LYS 6 HE3 LYS 6 17.895 13.665 -2.595 433 HZ1 LYS 6 HZ1 LYS 6 17.945 15.831 -3.615 434 HZ2 LYS 6 HZ2 LYS 6 19.470 15.479 -2.977 435 HZ3 LYS 6 HZ3 LYS 6 18.441 16.547 -2.165 436 H LEU 7 H LEU 7 16.684 9.714 -0.895 437 HA LEU 7 HA LEU 7 17.796 8.562 0.683 438 HB2 LEU 7 HB2 LEU 7 18.416 10.748 1.527 439 HB3 LEU 7 HB3 LEU 7 16.972 10.789 2.486 440 HG LEU 7 HG LEU 7 17.803 8.809 3.750 441 HD11 LEU 7 HD11 LEU 7 20.194 8.303 3.548 442 HD12 LEU 7 HD12 LEU 7 20.284 9.396 2.166 443 HD13 LEU 7 HD13 LEU 7 19.297 7.941 2.076 444 HD21 LEU 7 HD21 LEU 7 19.542 11.271 3.758 445 HD22 LEU 7 HD22 LEU 7 19.455 10.073 5.049 446 HD23 LEU 7 HD23 LEU 7 18.041 11.050 4.656 447 H ASN 8 H ASN 8 15.568 9.682 3.165 448 HA ASN 8 HA ASN 8 14.458 6.971 3.278 449 HB2 ASN 8 HB2 ASN 8 13.974 9.217 5.243 450 HB3 ASN 8 HB3 ASN 8 13.601 7.525 5.463 451 HD21 ASN 8 HD21 ASN 8 15.179 9.289 7.103 452 HD22 ASN 8 HD22 ASN 8 16.732 8.554 7.230 453 H HIS 9 H HIS 9 12.824 6.804 1.873 454 HA HIS 9 HA HIS 9 11.255 8.997 1.024 455 HB2 HIS 9 HB2 HIS 9 10.603 6.062 0.801 456 HB3 HIS 9 HB3 HIS 9 9.847 7.355 -0.109 457 HD1 HIS 9 HD1 HIS 9 10.802 7.776 -2.355 458 HD2 HIS 9 HD2 HIS 9 13.503 5.832 0.132 459 HE1 HIS 9 HE1 HIS 9 12.798 7.274 -3.791 460 HE2 HIS 9 HE2 HIS 9 14.330 5.925 -2.318 461 H THR 10 H THR 10 9.401 9.780 1.805 462 HA THR 10 HA THR 10 8.620 8.955 4.444 463 HB THR 10 HB THR 10 7.264 11.024 2.689 464 HG1 THR 10 HG1 THR 10 8.715 12.425 4.133 465 HG21 THR 10 HG21 THR 10 6.013 10.374 4.699 466 HG22 THR 10 HG22 THR 10 6.604 12.030 4.823 467 HG23 THR 10 HG23 THR 10 7.423 10.734 5.695 468 H CYS 11 H CYS 11 6.950 7.729 5.000 469 HA CYS 11 HA CYS 11 5.594 6.187 3.036 470 HB2 CYS 11 HB2 CYS 11 6.127 5.580 5.454 471 HB3 CYS 11 HB3 CYS 11 4.768 6.585 5.901 472 H VAL 12 H VAL 12 3.832 6.650 1.908 473 HA VAL 12 HA VAL 12 2.290 8.979 2.189 474 HB VAL 12 HB VAL 12 0.620 7.835 0.743 475 HG11 VAL 12 HG11 VAL 12 3.493 7.564 -0.119 476 HG12 VAL 12 HG12 VAL 12 2.454 8.975 -0.324 477 HG13 VAL 12 HG13 VAL 12 2.103 7.484 -1.201 478 HG21 VAL 12 HG21 VAL 12 0.813 5.584 1.622 479 HG22 VAL 12 HG22 VAL 12 2.467 5.470 1.023 480 HG23 VAL 12 HG23 VAL 12 1.125 5.587 -0.114 481 H ILE 13 H ILE 13 2.348 6.151 4.052 482 HA ILE 13 HA ILE 13 -0.448 6.324 4.814 483 HB ILE 13 HB ILE 13 1.518 4.349 5.858 484 HG12 ILE 13 HG12 ILE 13 1.562 4.359 3.383 485 HG13 ILE 13 HG13 ILE 13 0.928 2.871 4.060 486 HG21 ILE 13 HG21 ILE 13 -0.442 3.006 6.262 487 HG22 ILE 13 HG22 ILE 13 -1.458 4.207 5.466 488 HG23 ILE 13 HG23 ILE 13 -0.660 4.598 6.989 489 HD11 ILE 13 HD11 ILE 13 -0.277 3.795 2.086 490 HD12 ILE 13 HD12 ILE 13 -0.829 5.091 3.151 491 HD13 ILE 13 HD13 ILE 13 -1.259 3.418 3.499 492 H CYS 14 H CYS 14 2.625 5.932 6.563 493 HA CYS 14 HA CYS 14 1.314 7.050 8.873 494 HB2 CYS 14 HB2 CYS 14 3.153 6.042 10.165 495 HB3 CYS 14 HB3 CYS 14 2.247 4.875 9.234 496 H ASP 15 H ASP 15 2.954 8.231 6.433 497 HA ASP 15 HA ASP 15 4.141 10.097 5.995 498 HB2 ASP 15 HB2 ASP 15 2.846 10.934 8.542 499 HB3 ASP 15 HB3 ASP 15 3.692 12.040 7.481 500 H GLN 16 H GLN 16 5.577 8.056 7.383 501 HA GLN 16 HA GLN 16 7.517 9.628 8.894 502 HB2 GLN 16 HB2 GLN 16 7.052 6.646 8.809 503 HB3 GLN 16 HB3 GLN 16 8.272 7.452 9.779 504 HG2 GLN 16 HG2 GLN 16 5.312 7.718 10.039 505 HG3 GLN 16 HG3 GLN 16 6.385 6.866 11.127 506 HE21 GLN 16 HE21 GLN 16 4.547 9.038 11.655 507 HE22 GLN 16 HE22 GLN 16 5.503 10.296 12.341 508 H GLU 17 H GLU 17 9.674 9.451 8.365 509 HA GLU 17 HA GLU 17 10.207 9.010 5.575 510 HB2 GLU 17 HB2 GLU 17 11.886 10.151 7.805 511 HB3 GLU 17 HB3 GLU 17 12.466 9.948 6.157 512 HG2 GLU 17 HG2 GLU 17 10.855 11.468 5.313 513 HG3 GLU 17 HG3 GLU 17 10.021 11.524 6.859 514 H LYS 18 H LYS 18 10.564 7.105 4.979 515 HA LYS 18 HA LYS 18 12.173 5.257 6.618 516 HB2 LYS 18 HB2 LYS 18 10.144 4.176 4.806 517 HB3 LYS 18 HB3 LYS 18 10.713 3.546 6.319 518 HG2 LYS 18 HG2 LYS 18 8.808 5.836 5.981 519 HG3 LYS 18 HG3 LYS 18 8.380 4.192 6.440 520 HD2 LYS 18 HD2 LYS 18 10.334 5.756 8.038 521 HD3 LYS 18 HD3 LYS 18 8.628 5.993 8.252 522 HE2 LYS 18 HE2 LYS 18 9.479 4.444 9.889 523 HE3 LYS 18 HE3 LYS 18 8.374 3.663 8.785 524 HZ1 LYS 18 HZ1 LYS 18 11.313 3.511 8.507 525 HZ2 LYS 18 HZ2 LYS 18 10.159 2.596 7.677 526 HZ3 LYS 18 HZ3 LYS 18 10.393 2.357 9.331 527 H ASN 19 H ASN 19 13.843 4.273 5.585 528 HA ASN 19 HA ASN 19 14.001 4.600 2.679 529 HB2 ASN 19 HB2 ASN 19 16.339 4.051 2.856 530 HB3 ASN 19 HB3 ASN 19 15.964 5.241 4.097 531 HD21 ASN 19 HD21 ASN 19 18.101 3.214 3.846 532 HD22 ASN 19 HD22 ASN 19 18.019 2.275 5.330 533 H ARG 20 H ARG 20 12.372 2.611 4.376 534 HA ARG 20 HA ARG 20 13.127 0.231 2.848 535 HB2 ARG 20 HB2 ARG 20 13.938 0.348 5.350 536 HB3 ARG 20 HB3 ARG 20 12.276 -0.092 5.684 537 HG2 ARG 20 HG2 ARG 20 12.490 -2.124 4.469 538 HG3 ARG 20 HG3 ARG 20 14.064 -1.644 3.862 539 HD2 ARG 20 HD2 ARG 20 15.090 -1.848 5.919 540 HD3 ARG 20 HD3 ARG 20 13.549 -1.850 6.747 541 HE ARG 20 HE ARG 20 13.857 -4.075 4.985 542 HH11 ARG 20 HH11 ARG 20 14.592 -2.878 8.190 543 HH12 ARG 20 HH12 ARG 20 14.744 -4.460 8.885 544 HH21 ARG 20 HH21 ARG 20 14.075 -6.163 5.892 545 HH22 ARG 20 HH22 ARG 20 14.460 -6.329 7.574 546 H GLY 21 H GLY 21 11.482 -0.501 1.774 547 HA2 GLY 21 HA2 GLY 21 9.003 -1.262 2.417 548 HA3 GLY 21 HA3 GLY 21 8.783 0.476 2.258 549 H ILE 22 H ILE 22 7.432 0.129 0.251 550 HA ILE 22 HA ILE 22 9.200 -0.562 -1.989 551 HB ILE 22 HB ILE 22 7.546 -1.662 -3.136 552 HG12 ILE 22 HG12 ILE 22 5.513 -0.311 -1.397 553 HG13 ILE 22 HG13 ILE 22 5.976 0.221 -2.980 554 HG21 ILE 22 HG21 ILE 22 7.106 -2.149 -0.213 555 HG22 ILE 22 HG22 ILE 22 7.973 -3.143 -1.385 556 HG23 ILE 22 HG23 ILE 22 6.209 -3.052 -1.433 557 HD11 ILE 22 HD11 ILE 22 4.472 -2.226 -2.211 558 HD12 ILE 22 HD12 ILE 22 5.246 -2.057 -3.786 559 HD13 ILE 22 HD13 ILE 22 3.984 -0.922 -3.304 560 H HIS 23 H HIS 23 7.837 0.177 -4.024 561 HA HIS 23 HA HIS 23 6.888 2.873 -3.843 562 HB2 HIS 23 HB2 HIS 23 8.691 3.725 -5.425 563 HB3 HIS 23 HB3 HIS 23 9.191 3.464 -3.770 564 HD1 HIS 23 HD1 HIS 23 9.808 2.319 -7.261 565 HD2 HIS 23 HD2 HIS 23 10.968 1.367 -3.401 566 HE1 HIS 23 HE1 HIS 23 11.823 0.833 -7.514 567 HE2 HIS 23 HE2 HIS 23 12.513 0.257 -5.159 568 H LEU 24 H LEU 24 5.138 2.610 -5.073 569 HA LEU 24 HA LEU 24 5.012 0.680 -7.187 570 HB2 LEU 24 HB2 LEU 24 3.163 2.568 -5.867 571 HB3 LEU 24 HB3 LEU 24 2.818 2.243 -7.524 572 HG LEU 24 HG LEU 24 1.760 0.384 -6.989 573 HD11 LEU 24 HD11 LEU 24 4.160 -0.478 -5.454 574 HD12 LEU 24 HD12 LEU 24 3.776 -0.849 -7.139 575 HD13 LEU 24 HD13 LEU 24 2.753 -1.474 -5.843 576 HD21 LEU 24 HD21 LEU 24 1.108 1.667 -5.077 577 HD22 LEU 24 HD22 LEU 24 2.471 1.011 -4.164 578 HD23 LEU 24 HD23 LEU 24 1.179 -0.056 -4.725 579 H TYR 25 H TYR 25 4.402 4.134 -7.086 580 HA TYR 25 HA TYR 25 5.286 4.378 -9.854 581 HB2 TYR 25 HB2 TYR 25 3.639 6.306 -8.267 582 HB3 TYR 25 HB3 TYR 25 3.988 6.423 -9.975 583 HD1 TYR 25 HD1 TYR 25 3.323 3.085 -8.942 584 HD2 TYR 25 HD2 TYR 25 1.408 6.697 -10.060 585 HE1 TYR 25 HE1 TYR 25 1.270 1.833 -9.330 586 HE2 TYR 25 HE2 TYR 25 -0.660 5.456 -10.506 587 HH TYR 25 HH TYR 25 -1.233 2.377 -9.394 588 H THR 26 H THR 26 5.063 7.270 -8.202 589 HA THR 26 HA THR 26 7.941 7.297 -7.668 590 HB THR 26 HB THR 26 7.467 9.035 -9.164 591 HG1 THR 26 HG1 THR 26 7.758 9.843 -6.511 592 HG21 THR 26 HG21 THR 26 5.083 9.774 -7.476 593 HG22 THR 26 HG22 THR 26 5.036 8.917 -9.019 594 HG23 THR 26 HG23 THR 26 5.603 10.589 -8.952 595 H LYS 27 H LYS 27 5.529 6.283 -6.012 596 HA LYS 27 HA LYS 27 5.824 8.078 -3.693 597 HB2 LYS 27 HB2 LYS 27 3.710 6.122 -3.405 598 HB3 LYS 27 HB3 LYS 27 3.658 7.864 -3.213 599 HG2 LYS 27 HG2 LYS 27 3.516 6.460 -5.848 600 HG3 LYS 27 HG3 LYS 27 2.121 6.952 -4.908 601 HD2 LYS 27 HD2 LYS 27 4.247 8.815 -5.910 602 HD3 LYS 27 HD3 LYS 27 2.685 8.568 -6.682 603 HE2 LYS 27 HE2 LYS 27 2.290 9.112 -3.908 604 HE3 LYS 27 HE3 LYS 27 3.337 10.351 -4.596 605 HZ1 LYS 27 HZ1 LYS 27 0.666 9.539 -5.640 606 HZ2 LYS 27 HZ2 LYS 27 1.660 10.719 -6.329 607 HZ3 LYS 27 HZ3 LYS 27 1.001 10.962 -4.792 608 H PHE 28 H PHE 28 5.035 6.621 -1.685 609 HA PHE 28 HA PHE 28 6.653 4.210 -1.577 610 HB2 PHE 28 HB2 PHE 28 8.271 5.979 -1.160 611 HB3 PHE 28 HB3 PHE 28 7.236 6.668 0.082 612 HD1 PHE 28 HD1 PHE 28 9.266 3.693 -0.762 613 HD2 PHE 28 HD2 PHE 28 7.288 5.896 2.285 614 HE1 PHE 28 HE1 PHE 28 10.302 2.257 0.945 615 HE2 PHE 28 HE2 PHE 28 8.312 4.470 3.996 616 HZ PHE 28 HZ PHE 28 9.816 2.632 3.341 617 H ILE 29 H ILE 29 5.357 2.789 -0.601 618 HA ILE 29 HA ILE 29 4.057 3.630 1.906 619 HB ILE 29 HB ILE 29 3.816 0.957 0.495 620 HG12 ILE 29 HG12 ILE 29 1.319 1.833 0.378 621 HG13 ILE 29 HG13 ILE 29 2.101 3.407 0.426 622 HG21 ILE 29 HG21 ILE 29 2.085 0.473 2.138 623 HG22 ILE 29 HG22 ILE 29 2.344 2.047 2.887 624 HG23 ILE 29 HG23 ILE 29 3.628 0.831 2.929 625 HD11 ILE 29 HD11 ILE 29 1.623 2.600 -1.853 626 HD12 ILE 29 HD12 ILE 29 2.730 1.257 -1.579 627 HD13 ILE 29 HD13 ILE 29 3.333 2.915 -1.570 628 H CYS 30 H CYS 30 5.105 3.106 3.784 629 HA CYS 30 HA CYS 30 7.662 1.871 3.563 630 HB2 CYS 30 HB2 CYS 30 7.993 2.312 5.810 631 HB3 CYS 30 HB3 CYS 30 6.855 3.570 5.357 632 H LEU 31 H LEU 31 8.316 0.038 4.613 633 HA LEU 31 HA LEU 31 7.191 -2.176 3.553 634 HB2 LEU 31 HB2 LEU 31 8.938 -3.292 4.527 635 HB3 LEU 31 HB3 LEU 31 9.522 -1.662 4.496 636 HG LEU 31 HG LEU 31 8.499 -1.646 6.955 637 HD11 LEU 31 HD11 LEU 31 7.685 -3.945 6.866 638 HD12 LEU 31 HD12 LEU 31 8.938 -3.754 8.092 639 HD13 LEU 31 HD13 LEU 31 9.324 -4.518 6.550 640 HD21 LEU 31 HD21 LEU 31 10.764 -1.058 6.432 641 HD22 LEU 31 HD22 LEU 31 11.182 -2.748 6.157 642 HD23 LEU 31 HD23 LEU 31 10.761 -2.195 7.778 643 H ASP 32 H ASP 32 6.270 -0.649 6.436 644 HA ASP 32 HA ASP 32 5.261 -3.027 7.748 645 HB2 ASP 32 HB2 ASP 32 6.302 -1.006 8.927 646 HB3 ASP 32 HB3 ASP 32 4.776 -0.217 8.602 647 H CYS 33 H CYS 33 4.070 -0.041 6.474 648 HA CYS 33 HA CYS 33 1.324 -0.626 6.611 649 HB2 CYS 33 HB2 CYS 33 2.761 1.430 4.942 650 HB3 CYS 33 HB3 CYS 33 1.041 1.340 5.195 651 H GLU 34 H GLU 34 3.838 -0.971 4.295 652 HA GLU 34 HA GLU 34 2.345 -1.714 2.099 653 HB2 GLU 34 HB2 GLU 34 4.698 -1.181 1.928 654 HB3 GLU 34 HB3 GLU 34 5.120 -2.538 2.955 655 HG2 GLU 34 HG2 GLU 34 3.673 -3.125 0.438 656 HG3 GLU 34 HG3 GLU 34 5.343 -2.605 0.325 657 H ARG 35 H ARG 35 3.508 -3.611 4.826 658 HA ARG 35 HA ARG 35 2.205 -5.981 3.876 659 HB2 ARG 35 HB2 ARG 35 3.437 -5.296 6.541 660 HB3 ARG 35 HB3 ARG 35 2.645 -6.836 6.229 661 HG2 ARG 35 HG2 ARG 35 4.237 -7.328 4.482 662 HG3 ARG 35 HG3 ARG 35 5.002 -5.761 4.696 663 HD2 ARG 35 HD2 ARG 35 5.743 -6.365 6.853 664 HD3 ARG 35 HD3 ARG 35 4.784 -7.837 6.855 665 HE ARG 35 HE ARG 35 6.434 -8.083 4.694 666 HH11 ARG 35 HH11 ARG 35 6.947 -7.529 8.109 667 HH12 ARG 35 HH12 ARG 35 8.464 -8.366 8.140 668 HH21 ARG 35 HH21 ARG 35 8.416 -9.195 4.738 669 HH22 ARG 35 HH22 ARG 35 9.300 -9.314 6.227 670 H LYS 36 H LYS 36 1.266 -3.284 5.754 671 HA LYS 36 HA LYS 36 -0.782 -4.370 7.304 672 HB2 LYS 36 HB2 LYS 36 -0.297 -1.636 6.156 673 HB3 LYS 36 HB3 LYS 36 -1.626 -1.986 7.217 674 HG2 LYS 36 HG2 LYS 36 0.099 -2.675 8.906 675 HG3 LYS 36 HG3 LYS 36 1.300 -2.064 7.841 676 HD2 LYS 36 HD2 LYS 36 0.570 0.036 8.115 677 HD3 LYS 36 HD3 LYS 36 -1.009 -0.414 8.695 678 HE2 LYS 36 HE2 LYS 36 1.601 -0.794 10.145 679 HE3 LYS 36 HE3 LYS 36 0.437 0.483 10.460 680 HZ1 LYS 36 HZ1 LYS 36 -1.200 -1.249 11.010 681 HZ2 LYS 36 HZ2 LYS 36 0.142 -1.275 12.038 682 HZ3 LYS 36 HZ3 LYS 36 -0.003 -2.427 10.810 683 H VAL 37 H VAL 37 -0.564 -2.978 4.149 684 HA VAL 37 HA VAL 37 -3.223 -2.785 3.520 685 HB VAL 37 HB VAL 37 -2.554 -2.814 1.176 686 HG11 VAL 37 HG11 VAL 37 -2.197 -0.791 2.649 687 HG12 VAL 37 HG12 VAL 37 -1.198 -0.855 1.197 688 HG13 VAL 37 HG13 VAL 37 -0.504 -1.284 2.763 689 HG21 VAL 37 HG21 VAL 37 -0.006 -2.944 0.807 690 HG22 VAL 37 HG22 VAL 37 -0.970 -4.417 0.878 691 HG23 VAL 37 HG23 VAL 37 -0.032 -3.910 2.287 692 H ILE 38 H ILE 38 -1.014 -5.399 2.945 693 HA ILE 38 HA ILE 38 -2.659 -7.146 1.516 694 HB ILE 38 HB ILE 38 -0.528 -8.128 3.387 695 HG12 ILE 38 HG12 ILE 38 -0.091 -6.532 0.876 696 HG13 ILE 38 HG13 ILE 38 0.598 -6.271 2.460 697 HG21 ILE 38 HG21 ILE 38 -0.059 -9.646 1.456 698 HG22 ILE 38 HG22 ILE 38 -1.489 -8.972 0.678 699 HG23 ILE 38 HG23 ILE 38 -1.644 -9.837 2.202 700 HD11 ILE 38 HD11 ILE 38 2.126 -7.997 2.217 701 HD12 ILE 38 HD12 ILE 38 2.088 -7.240 0.619 702 HD13 ILE 38 HD13 ILE 38 1.217 -8.744 0.908 703 H SER 39 H SER 39 -2.249 -6.380 4.833 704 HA SER 39 HA SER 39 -3.591 -8.727 5.718 705 HB2 SER 39 HB2 SER 39 -1.717 -7.879 7.033 706 HB3 SER 39 HB3 SER 39 -2.558 -6.350 7.269 707 HG SER 39 HG SER 39 -3.674 -8.814 8.098 708 H THR 40 H THR 40 -4.273 -5.366 5.233 709 HA THR 40 HA THR 40 -6.758 -5.358 6.689 710 HB THR 40 HB THR 40 -5.523 -3.321 4.828 711 HG1 THR 40 HG1 THR 40 -4.324 -3.770 6.756 712 HG21 THR 40 HG21 THR 40 -7.964 -3.023 5.074 713 HG22 THR 40 HG22 THR 40 -7.041 -1.703 5.791 714 HG23 THR 40 HG23 THR 40 -7.755 -2.943 6.824 715 H SER 41 H SER 41 -5.722 -5.932 3.435 716 HA SER 41 HA SER 41 -8.160 -5.314 2.133 717 HB2 SER 41 HB2 SER 41 -5.912 -5.330 1.063 718 HB3 SER 41 HB3 SER 41 -6.000 -7.076 1.137 719 HG SER 41 HG SER 41 -6.841 -5.681 -0.808 720 H THR 42 H THR 42 -7.353 -7.889 4.110 721 HA THR 42 HA THR 42 -8.519 -10.020 2.600 722 HB THR 42 HB THR 42 -8.144 -11.381 4.603 723 HG1 THR 42 HG1 THR 42 -8.512 -10.093 6.332 724 HG21 THR 42 HG21 THR 42 -6.273 -10.979 3.085 725 HG22 THR 42 HG22 THR 42 -5.707 -11.086 4.751 726 HG23 THR 42 HG23 THR 42 -5.855 -9.510 3.971 727 H SER 43 H SER 43 -10.389 -7.977 2.813 728 HA SER 43 HA SER 43 -12.624 -9.434 3.826 729 HB2 SER 43 HB2 SER 43 -11.794 -8.305 5.904 730 HB3 SER 43 HB3 SER 43 -12.038 -6.751 5.111 731 HG SER 43 HG SER 43 -14.040 -8.702 5.646 732 H ASP 44 H ASP 44 -13.480 -9.305 1.795 733 HA ASP 44 HA ASP 44 -14.365 -6.639 0.968 734 HB2 ASP 44 HB2 ASP 44 -13.805 -7.001 -1.339 735 HB3 ASP 44 HB3 ASP 44 -12.357 -7.299 -0.388 736 HA PRO 45 HA PRO 45 -18.178 -8.886 0.699 737 HB2 PRO 45 HB2 PRO 45 -19.691 -6.808 -0.214 738 HB3 PRO 45 HB3 PRO 45 -19.206 -6.980 1.444 739 HG2 PRO 45 HG2 PRO 45 -18.231 -5.188 -0.546 740 HG3 PRO 45 HG3 PRO 45 -18.266 -4.981 1.183 741 HD2 PRO 45 HD2 PRO 45 -16.018 -5.618 -0.361 742 HD3 PRO 45 HD3 PRO 45 -16.169 -5.764 1.394 743 H ASP 46 H ASP 46 -19.894 -9.299 -0.935 744 HA ASP 46 HA ASP 46 -18.709 -9.778 -3.518 745 HB2 ASP 46 HB2 ASP 46 -21.451 -10.391 -2.400 746 HB3 ASP 46 HB3 ASP 46 -20.950 -10.818 -4.032 747 H TYR 47 H TYR 47 -20.870 -7.512 -2.067 748 HA TYR 47 HA TYR 47 -21.286 -6.235 -4.683 749 HB2 TYR 47 HB2 TYR 47 -22.939 -6.151 -2.183 750 HB3 TYR 47 HB3 TYR 47 -23.172 -5.022 -3.507 751 HD1 TYR 47 HD1 TYR 47 -24.329 -5.665 -5.477 752 HD2 TYR 47 HD2 TYR 47 -23.376 -8.581 -2.532 753 HE1 TYR 47 HE1 TYR 47 -25.814 -7.272 -6.596 754 HE2 TYR 47 HE2 TYR 47 -24.859 -10.197 -3.644 755 HH TYR 47 HH TYR 47 -26.163 -9.635 -6.771 756 H ALA 48 H ALA 48 -19.549 -4.917 -4.845 757 HA ALA 48 HA ALA 48 -18.792 -3.247 -2.584 758 HB1 ALA 48 HB1 ALA 48 -17.579 -3.469 -5.339 759 HB2 ALA 48 HB2 ALA 48 -17.014 -4.290 -3.886 760 HB3 ALA 48 HB3 ALA 48 -16.922 -2.534 -3.996 Start of MODEL 11 1 H1 SER 0 H1 SER 0 1.793 16.257 8.313 2 H2 SER 0 H2 SER 0 1.715 17.416 7.088 3 H3 SER 0 H3 SER 0 1.425 15.789 6.732 4 HA SER 0 HA SER 0 -0.543 15.803 8.096 5 HB2 SER 0 HB2 SER 0 -1.347 18.125 8.823 6 HB3 SER 0 HB3 SER 0 -0.019 17.424 9.748 7 HG SER 0 HG SER 0 0.054 19.490 7.816 8 H MET 1 H MET 1 -1.204 15.176 6.035 9 HA MET 1 HA MET 1 -2.331 17.360 4.408 10 HB2 MET 1 HB2 MET 1 -0.946 14.862 3.411 11 HB3 MET 1 HB3 MET 1 -1.884 15.939 2.388 12 HG2 MET 1 HG2 MET 1 0.597 16.688 3.919 13 HG3 MET 1 HG3 MET 1 0.512 16.342 2.193 14 HE1 MET 1 HE1 MET 1 -2.270 17.729 1.413 15 HE2 MET 1 HE2 MET 1 -0.805 17.863 0.444 16 HE3 MET 1 HE3 MET 1 -1.700 19.314 0.893 17 H ASP 2 H ASP 2 -3.576 15.887 6.470 18 HA ASP 2 HA ASP 2 -5.236 13.871 5.169 19 HB2 ASP 2 HB2 ASP 2 -5.348 14.803 8.046 20 HB3 ASP 2 HB3 ASP 2 -6.010 13.316 7.380 21 H GLU 3 H GLU 3 -6.138 15.639 3.771 22 HA GLU 3 HA GLU 3 -8.522 16.797 4.970 23 HB2 GLU 3 HB2 GLU 3 -6.670 18.418 5.367 24 HB3 GLU 3 HB3 GLU 3 -6.470 18.546 3.627 25 HG2 GLU 3 HG2 GLU 3 -7.772 20.373 4.636 26 HG3 GLU 3 HG3 GLU 3 -8.634 19.506 3.375 27 H THR 4 H THR 4 -9.949 17.749 3.363 28 HA THR 4 HA THR 4 -11.158 17.683 1.469 29 HB THR 4 HB THR 4 -9.848 18.025 -0.698 30 HG1 THR 4 HG1 THR 4 -7.833 17.254 0.746 31 HG21 THR 4 HG21 THR 4 -9.326 20.352 -0.119 32 HG22 THR 4 HG22 THR 4 -9.478 19.953 1.592 33 HG23 THR 4 HG23 THR 4 -10.885 19.848 0.534 34 H VAL 5 H VAL 5 -11.789 15.497 1.960 35 HA VAL 5 HA VAL 5 -11.486 13.899 -0.407 36 HB VAL 5 HB VAL 5 -9.612 13.015 0.828 37 HG11 VAL 5 HG11 VAL 5 -10.245 13.688 3.061 38 HG12 VAL 5 HG12 VAL 5 -9.877 11.963 3.021 39 HG13 VAL 5 HG13 VAL 5 -11.553 12.508 3.068 40 HG21 VAL 5 HG21 VAL 5 -11.956 11.124 0.923 41 HG22 VAL 5 HG22 VAL 5 -10.258 10.656 0.984 42 HG23 VAL 5 HG23 VAL 5 -10.912 11.422 -0.464 43 H LYS 6 H LYS 6 -13.478 13.273 -0.944 44 HA LYS 6 HA LYS 6 -15.397 12.552 1.117 45 HB2 LYS 6 HB2 LYS 6 -15.607 14.985 0.922 46 HB3 LYS 6 HB3 LYS 6 -15.893 14.805 -0.792 47 HG2 LYS 6 HG2 LYS 6 -17.933 13.556 -0.329 48 HG3 LYS 6 HG3 LYS 6 -17.647 13.780 1.390 49 HD2 LYS 6 HD2 LYS 6 -17.806 16.186 1.135 50 HD3 LYS 6 HD3 LYS 6 -18.026 15.998 -0.601 51 HE2 LYS 6 HE2 LYS 6 -20.099 14.793 -0.228 52 HE3 LYS 6 HE3 LYS 6 -19.868 14.935 1.509 53 HZ1 LYS 6 HZ1 LYS 6 -20.235 17.195 -0.370 54 HZ2 LYS 6 HZ2 LYS 6 -20.001 17.337 1.298 55 HZ3 LYS 6 HZ3 LYS 6 -21.402 16.602 0.700 56 H LEU 7 H LEU 7 -16.951 11.164 0.449 57 HA LEU 7 HA LEU 7 -18.025 9.628 -0.804 58 HB2 LEU 7 HB2 LEU 7 -17.297 11.394 -3.094 59 HB3 LEU 7 HB3 LEU 7 -18.353 10.018 -3.229 60 HG LEU 7 HG LEU 7 -18.868 12.508 -1.606 61 HD11 LEU 7 HD11 LEU 7 -20.649 12.914 -3.226 62 HD12 LEU 7 HD12 LEU 7 -20.142 11.493 -4.141 63 HD13 LEU 7 HD13 LEU 7 -19.066 12.882 -4.002 64 HD21 LEU 7 HD21 LEU 7 -20.549 10.054 -2.046 65 HD22 LEU 7 HD22 LEU 7 -21.092 11.533 -1.254 66 HD23 LEU 7 HD23 LEU 7 -19.810 10.564 -0.531 67 H ASN 8 H ASN 8 -15.654 10.404 -3.295 68 HA ASN 8 HA ASN 8 -14.548 7.744 -3.270 69 HB2 ASN 8 HB2 ASN 8 -12.802 8.762 -4.773 70 HB3 ASN 8 HB3 ASN 8 -14.416 9.008 -5.377 71 HD21 ASN 8 HD21 ASN 8 -15.069 11.012 -5.727 72 HD22 ASN 8 HD22 ASN 8 -14.109 12.395 -5.386 73 H HIS 9 H HIS 9 -12.463 7.195 -2.542 74 HA HIS 9 HA HIS 9 -11.074 9.271 -0.986 75 HB2 HIS 9 HB2 HIS 9 -10.543 6.302 -0.946 76 HB3 HIS 9 HB3 HIS 9 -9.812 7.508 0.093 77 HD1 HIS 9 HD1 HIS 9 -12.626 5.185 -0.064 78 HD2 HIS 9 HD2 HIS 9 -11.722 8.711 1.948 79 HE1 HIS 9 HE1 HIS 9 -14.254 5.315 1.842 80 HE2 HIS 9 HE2 HIS 9 -13.793 7.526 2.947 81 H THR 10 H THR 10 -9.274 10.047 -1.868 82 HA THR 10 HA THR 10 -8.662 9.213 -4.555 83 HB THR 10 HB THR 10 -7.283 11.312 -2.851 84 HG1 THR 10 HG1 THR 10 -9.719 11.296 -3.971 85 HG21 THR 10 HG21 THR 10 -5.905 10.574 -4.744 86 HG22 THR 10 HG22 THR 10 -6.496 12.216 -5.004 87 HG23 THR 10 HG23 THR 10 -7.251 10.864 -5.845 88 H CYS 11 H CYS 11 -7.023 7.981 -5.214 89 HA CYS 11 HA CYS 11 -5.643 6.418 -3.319 90 HB2 CYS 11 HB2 CYS 11 -6.128 5.550 -5.515 91 HB3 CYS 11 HB3 CYS 11 -5.202 6.841 -6.272 92 H VAL 12 H VAL 12 -3.791 6.699 -2.299 93 HA VAL 12 HA VAL 12 -2.190 9.020 -2.488 94 HB VAL 12 HB VAL 12 -0.561 7.788 -1.081 95 HG11 VAL 12 HG11 VAL 12 -2.379 8.892 0.048 96 HG12 VAL 12 HG12 VAL 12 -2.040 7.352 0.844 97 HG13 VAL 12 HG13 VAL 12 -3.433 7.506 -0.228 98 HG21 VAL 12 HG21 VAL 12 -1.122 5.516 -0.306 99 HG22 VAL 12 HG22 VAL 12 -0.753 5.583 -2.028 100 HG23 VAL 12 HG23 VAL 12 -2.428 5.461 -1.491 101 H ILE 13 H ILE 13 -2.260 6.146 -4.328 102 HA ILE 13 HA ILE 13 0.531 6.316 -5.186 103 HB ILE 13 HB ILE 13 -1.502 4.278 -5.988 104 HG12 ILE 13 HG12 ILE 13 -1.377 4.422 -3.538 105 HG13 ILE 13 HG13 ILE 13 -0.755 2.904 -4.162 106 HG21 ILE 13 HG21 ILE 13 1.499 4.234 -5.883 107 HG22 ILE 13 HG22 ILE 13 0.502 4.318 -7.336 108 HG23 ILE 13 HG23 ILE 13 0.476 2.869 -6.330 109 HD11 ILE 13 HD11 ILE 13 0.966 5.234 -3.448 110 HD12 ILE 13 HD12 ILE 13 1.474 3.589 -3.835 111 HD13 ILE 13 HD13 ILE 13 0.578 3.913 -2.347 112 H CYS 14 H CYS 14 -2.623 5.853 -6.692 113 HA CYS 14 HA CYS 14 -1.452 6.601 -9.233 114 HB2 CYS 14 HB2 CYS 14 -4.216 5.566 -8.958 115 HB3 CYS 14 HB3 CYS 14 -3.090 5.328 -10.261 116 H ASP 15 H ASP 15 -3.121 8.015 -6.765 117 HA ASP 15 HA ASP 15 -4.054 10.051 -6.418 118 HB2 ASP 15 HB2 ASP 15 -1.939 10.563 -7.660 119 HB3 ASP 15 HB3 ASP 15 -2.933 10.870 -9.072 120 H GLN 16 H GLN 16 -5.737 8.282 -7.409 121 HA GLN 16 HA GLN 16 -7.484 9.820 -9.178 122 HB2 GLN 16 HB2 GLN 16 -7.126 6.830 -9.013 123 HB3 GLN 16 HB3 GLN 16 -8.352 7.633 -9.976 124 HG2 GLN 16 HG2 GLN 16 -5.398 7.841 -10.312 125 HG3 GLN 16 HG3 GLN 16 -6.508 6.971 -11.344 126 HE21 GLN 16 HE21 GLN 16 -4.669 9.038 -12.053 127 HE22 GLN 16 HE22 GLN 16 -5.601 10.328 -12.716 128 H GLU 17 H GLU 17 -9.687 9.719 -8.741 129 HA GLU 17 HA GLU 17 -10.334 9.407 -5.954 130 HB2 GLU 17 HB2 GLU 17 -12.047 10.352 -8.252 131 HB3 GLU 17 HB3 GLU 17 -12.497 10.387 -6.556 132 HG2 GLU 17 HG2 GLU 17 -10.840 11.966 -6.034 133 HG3 GLU 17 HG3 GLU 17 -10.072 11.772 -7.605 134 H LYS 18 H LYS 18 -10.664 7.507 -5.330 135 HA LYS 18 HA LYS 18 -12.268 5.636 -6.939 136 HB2 LYS 18 HB2 LYS 18 -10.313 4.605 -5.004 137 HB3 LYS 18 HB3 LYS 18 -10.886 3.883 -6.474 138 HG2 LYS 18 HG2 LYS 18 -8.881 6.096 -6.231 139 HG3 LYS 18 HG3 LYS 18 -8.567 4.426 -6.696 140 HD2 LYS 18 HD2 LYS 18 -10.460 6.098 -8.253 141 HD3 LYS 18 HD3 LYS 18 -8.750 6.250 -8.501 142 HE2 LYS 18 HE2 LYS 18 -9.673 4.752 -10.127 143 HE3 LYS 18 HE3 LYS 18 -8.638 3.894 -9.013 144 HZ1 LYS 18 HZ1 LYS 18 -10.500 2.953 -7.923 145 HZ2 LYS 18 HZ2 LYS 18 -10.751 2.740 -9.580 146 HZ3 LYS 18 HZ3 LYS 18 -11.578 3.957 -8.752 147 H ASN 19 H ASN 19 -13.957 4.671 -5.937 148 HA ASN 19 HA ASN 19 -14.239 5.220 -3.080 149 HB2 ASN 19 HB2 ASN 19 -16.567 4.830 -3.307 150 HB3 ASN 19 HB3 ASN 19 -16.099 5.796 -4.696 151 HD21 ASN 19 HD21 ASN 19 -18.374 4.008 -4.262 152 HD22 ASN 19 HD22 ASN 19 -18.316 2.849 -5.582 153 H ARG 20 H ARG 20 -12.916 2.916 -4.960 154 HA ARG 20 HA ARG 20 -13.417 0.841 -2.946 155 HB2 ARG 20 HB2 ARG 20 -13.372 0.470 -5.929 156 HB3 ARG 20 HB3 ARG 20 -13.041 -0.844 -4.834 157 HG2 ARG 20 HG2 ARG 20 -15.245 -0.511 -3.821 158 HG3 ARG 20 HG3 ARG 20 -15.556 0.758 -5.000 159 HD2 ARG 20 HD2 ARG 20 -15.307 -0.734 -6.804 160 HD3 ARG 20 HD3 ARG 20 -14.768 -1.975 -5.712 161 HE ARG 20 HE ARG 20 -17.414 -1.025 -5.135 162 HH11 ARG 20 HH11 ARG 20 -15.558 -3.303 -7.039 163 HH12 ARG 20 HH12 ARG 20 -16.907 -4.351 -7.333 164 HH21 ARG 20 HH21 ARG 20 -19.190 -2.415 -5.519 165 HH22 ARG 20 HH22 ARG 20 -18.965 -3.849 -6.469 166 H GLY 21 H GLY 21 -11.766 -0.343 -2.284 167 HA2 GLY 21 HA2 GLY 21 -9.348 -1.030 -2.991 168 HA3 GLY 21 HA3 GLY 21 -9.065 0.699 -2.805 169 H ILE 22 H ILE 22 -7.688 0.372 -0.842 170 HA ILE 22 HA ILE 22 -9.331 -0.444 1.456 171 HB ILE 22 HB ILE 22 -7.617 -1.620 2.456 172 HG12 ILE 22 HG12 ILE 22 -5.756 -0.184 0.603 173 HG13 ILE 22 HG13 ILE 22 -5.984 0.135 2.288 174 HG21 ILE 22 HG21 ILE 22 -8.330 -2.941 0.595 175 HG22 ILE 22 HG22 ILE 22 -6.576 -3.108 0.739 176 HG23 ILE 22 HG23 ILE 22 -7.266 -2.060 -0.502 177 HD11 ILE 22 HD11 ILE 22 -4.870 -2.389 1.142 178 HD12 ILE 22 HD12 ILE 22 -5.079 -2.023 2.856 179 HD13 ILE 22 HD13 ILE 22 -3.943 -1.088 1.883 180 H HIS 23 H HIS 23 -7.780 0.232 3.467 181 HA HIS 23 HA HIS 23 -6.839 2.906 3.190 182 HB2 HIS 23 HB2 HIS 23 -8.586 3.909 4.702 183 HB3 HIS 23 HB3 HIS 23 -9.146 3.498 3.096 184 HD1 HIS 23 HD1 HIS 23 -9.590 2.615 6.700 185 HD2 HIS 23 HD2 HIS 23 -11.019 1.477 2.987 186 HE1 HIS 23 HE1 HIS 23 -11.637 1.232 7.167 187 HE2 HIS 23 HE2 HIS 23 -12.387 0.411 4.908 188 H LEU 24 H LEU 24 -5.102 2.784 4.427 189 HA LEU 24 HA LEU 24 -5.327 1.684 7.110 190 HB2 LEU 24 HB2 LEU 24 -2.874 2.512 5.567 191 HB3 LEU 24 HB3 LEU 24 -2.944 1.673 7.067 192 HG LEU 24 HG LEU 24 -3.988 0.497 4.524 193 HD11 LEU 24 HD11 LEU 24 -1.292 0.221 5.836 194 HD12 LEU 24 HD12 LEU 24 -1.643 0.851 4.226 195 HD13 LEU 24 HD13 LEU 24 -1.901 -0.856 4.582 196 HD21 LEU 24 HD21 LEU 24 -4.940 -0.464 6.540 197 HD22 LEU 24 HD22 LEU 24 -3.326 -0.707 7.210 198 HD23 LEU 24 HD23 LEU 24 -3.832 -1.607 5.780 199 H TYR 25 H TYR 25 -4.928 3.017 8.844 200 HA TYR 25 HA TYR 25 -4.811 4.949 10.023 201 HB2 TYR 25 HB2 TYR 25 -3.170 5.956 7.727 202 HB3 TYR 25 HB3 TYR 25 -3.227 6.665 9.327 203 HD1 TYR 25 HD1 TYR 25 -0.968 6.453 10.049 204 HD2 TYR 25 HD2 TYR 25 -2.965 3.068 8.439 205 HE1 TYR 25 HE1 TYR 25 0.918 5.017 10.714 206 HE2 TYR 25 HE2 TYR 25 -1.107 1.633 9.083 207 HH TYR 25 HH TYR 25 1.489 2.038 9.554 208 H THR 26 H THR 26 -4.479 7.297 7.665 209 HA THR 26 HA THR 26 -7.393 7.685 7.593 210 HB THR 26 HB THR 26 -7.073 10.006 7.492 211 HG1 THR 26 HG1 THR 26 -4.748 10.774 7.224 212 HG21 THR 26 HG21 THR 26 -5.572 10.549 9.335 213 HG22 THR 26 HG22 THR 26 -4.787 8.976 9.171 214 HG23 THR 26 HG23 THR 26 -6.471 9.074 9.692 215 H LYS 27 H LYS 27 -5.087 6.365 5.681 216 HA LYS 27 HA LYS 27 -5.620 8.080 3.358 217 HB2 LYS 27 HB2 LYS 27 -3.516 6.074 3.055 218 HB3 LYS 27 HB3 LYS 27 -3.534 7.762 2.594 219 HG2 LYS 27 HG2 LYS 27 -2.956 6.643 5.307 220 HG3 LYS 27 HG3 LYS 27 -1.802 7.346 4.180 221 HD2 LYS 27 HD2 LYS 27 -4.094 8.827 5.439 222 HD3 LYS 27 HD3 LYS 27 -2.426 8.878 6.006 223 HE2 LYS 27 HE2 LYS 27 -2.771 9.442 3.149 224 HE3 LYS 27 HE3 LYS 27 -3.496 10.632 4.227 225 HZ1 LYS 27 HZ1 LYS 27 -0.650 9.768 4.144 226 HZ2 LYS 27 HZ2 LYS 27 -1.293 10.740 5.370 227 HZ3 LYS 27 HZ3 LYS 27 -1.271 11.300 3.774 228 H PHE 28 H PHE 28 -4.951 6.633 1.334 229 HA PHE 28 HA PHE 28 -6.595 4.235 1.289 230 HB2 PHE 28 HB2 PHE 28 -8.221 6.001 0.966 231 HB3 PHE 28 HB3 PHE 28 -7.232 6.738 -0.288 232 HD1 PHE 28 HD1 PHE 28 -7.337 6.021 -2.507 233 HD2 PHE 28 HD2 PHE 28 -9.300 3.781 0.521 234 HE1 PHE 28 HE1 PHE 28 -8.491 4.712 -4.226 235 HE2 PHE 28 HE2 PHE 28 -10.448 2.451 -1.201 236 HZ PHE 28 HZ PHE 28 -10.029 2.900 -3.597 237 H ILE 29 H ILE 29 -5.165 2.876 0.420 238 HA ILE 29 HA ILE 29 -3.824 3.571 -2.101 239 HB ILE 29 HB ILE 29 -3.883 0.937 -0.590 240 HG12 ILE 29 HG12 ILE 29 -1.300 1.655 -0.472 241 HG13 ILE 29 HG13 ILE 29 -2.035 3.256 -0.500 242 HG21 ILE 29 HG21 ILE 29 -2.214 1.716 -2.990 243 HG22 ILE 29 HG22 ILE 29 -3.620 0.640 -3.010 244 HG23 ILE 29 HG23 ILE 29 -2.157 0.178 -2.124 245 HD11 ILE 29 HD11 ILE 29 -1.626 2.368 1.772 246 HD12 ILE 29 HD12 ILE 29 -2.788 1.087 1.440 247 HD13 ILE 29 HD13 ILE 29 -3.313 2.771 1.462 248 H CYS 30 H CYS 30 -5.011 3.257 -3.978 249 HA CYS 30 HA CYS 30 -7.559 2.028 -3.620 250 HB2 CYS 30 HB2 CYS 30 -8.178 2.680 -5.773 251 HB3 CYS 30 HB3 CYS 30 -7.173 3.968 -5.166 252 H LEU 31 H LEU 31 -8.318 0.393 -5.122 253 HA LEU 31 HA LEU 31 -7.300 -1.907 -4.092 254 HB2 LEU 31 HB2 LEU 31 -9.035 -2.951 -5.182 255 HB3 LEU 31 HB3 LEU 31 -9.603 -1.337 -4.949 256 HG LEU 31 HG LEU 31 -8.686 -1.032 -7.415 257 HD11 LEU 31 HD11 LEU 31 -7.817 -3.302 -7.628 258 HD12 LEU 31 HD12 LEU 31 -9.130 -3.013 -8.770 259 HD13 LEU 31 HD13 LEU 31 -9.425 -3.954 -7.309 260 HD21 LEU 31 HD21 LEU 31 -10.962 -1.447 -8.198 261 HD22 LEU 31 HD22 LEU 31 -10.962 -0.609 -6.648 262 HD23 LEU 31 HD23 LEU 31 -11.312 -2.335 -6.715 263 H ASP 32 H ASP 32 -6.125 -0.269 -6.799 264 HA ASP 32 HA ASP 32 -5.334 -2.546 -8.319 265 HB2 ASP 32 HB2 ASP 32 -4.913 -1.008 -9.889 266 HB3 ASP 32 HB3 ASP 32 -6.061 -0.097 -8.997 267 H CYS 33 H CYS 33 -3.803 0.047 -6.670 268 HA CYS 33 HA CYS 33 -1.170 -0.832 -6.792 269 HB2 CYS 33 HB2 CYS 33 -1.008 0.984 -4.917 270 HB3 CYS 33 HB3 CYS 33 -1.313 1.462 -6.571 271 H GLU 34 H GLU 34 -3.786 -1.118 -4.649 272 HA GLU 34 HA GLU 34 -2.478 -1.959 -2.354 273 HB2 GLU 34 HB2 GLU 34 -4.802 -1.401 -2.263 274 HB3 GLU 34 HB3 GLU 34 -5.211 -2.637 -3.439 275 HG2 GLU 34 HG2 GLU 34 -3.933 -3.557 -0.943 276 HG3 GLU 34 HG3 GLU 34 -5.564 -2.944 -0.821 277 H ARG 35 H ARG 35 -3.629 -3.895 -5.098 278 HA ARG 35 HA ARG 35 -2.365 -6.223 -4.044 279 HB2 ARG 35 HB2 ARG 35 -2.827 -7.271 -6.253 280 HB3 ARG 35 HB3 ARG 35 -4.248 -6.616 -5.458 281 HG2 ARG 35 HG2 ARG 35 -4.176 -4.666 -6.909 282 HG3 ARG 35 HG3 ARG 35 -2.735 -5.301 -7.687 283 HD2 ARG 35 HD2 ARG 35 -5.398 -6.627 -7.634 284 HD3 ARG 35 HD3 ARG 35 -4.735 -5.748 -9.001 285 HE ARG 35 HE ARG 35 -2.871 -7.489 -8.842 286 HH11 ARG 35 HH11 ARG 35 -6.214 -8.142 -8.014 287 HH12 ARG 35 HH12 ARG 35 -6.113 -9.826 -8.415 288 HH21 ARG 35 HH21 ARG 35 -2.731 -9.696 -9.344 289 HH22 ARG 35 HH22 ARG 35 -4.125 -10.717 -9.169 290 H LYS 36 H LYS 36 -1.280 -3.599 -5.945 291 HA LYS 36 HA LYS 36 0.744 -4.804 -7.437 292 HB2 LYS 36 HB2 LYS 36 0.456 -2.028 -6.337 293 HB3 LYS 36 HB3 LYS 36 1.689 -2.513 -7.460 294 HG2 LYS 36 HG2 LYS 36 -0.272 -3.172 -8.960 295 HG3 LYS 36 HG3 LYS 36 -1.234 -2.263 -7.890 296 HD2 LYS 36 HD2 LYS 36 -0.319 -0.384 -8.543 297 HD3 LYS 36 HD3 LYS 36 1.208 -1.071 -9.018 298 HE2 LYS 36 HE2 LYS 36 -0.157 -0.277 -10.913 299 HE3 LYS 36 HE3 LYS 36 0.190 -1.997 -10.994 300 HZ1 LYS 36 HZ1 LYS 36 -2.096 -1.577 -11.558 301 HZ2 LYS 36 HZ2 LYS 36 -2.354 -0.735 -10.112 302 HZ3 LYS 36 HZ3 LYS 36 -2.040 -2.405 -10.083 303 H VAL 37 H VAL 37 0.527 -3.326 -4.337 304 HA VAL 37 HA VAL 37 3.160 -3.141 -3.634 305 HB VAL 37 HB VAL 37 2.428 -3.153 -1.308 306 HG11 VAL 37 HG11 VAL 37 1.158 -1.159 -1.356 307 HG12 VAL 37 HG12 VAL 37 0.403 -1.598 -2.888 308 HG13 VAL 37 HG13 VAL 37 2.107 -1.135 -2.844 309 HG21 VAL 37 HG21 VAL 37 -0.147 -3.218 -1.048 310 HG22 VAL 37 HG22 VAL 37 0.819 -4.693 -1.009 311 HG23 VAL 37 HG23 VAL 37 -0.050 -4.246 -2.485 312 H ILE 38 H ILE 38 0.943 -5.762 -3.058 313 HA ILE 38 HA ILE 38 2.521 -7.461 -1.509 314 HB ILE 38 HB ILE 38 0.570 -8.496 -3.545 315 HG12 ILE 38 HG12 ILE 38 -0.082 -6.923 -1.072 316 HG13 ILE 38 HG13 ILE 38 -0.644 -6.652 -2.705 317 HG21 ILE 38 HG21 ILE 38 -0.007 -10.044 -1.674 318 HG22 ILE 38 HG22 ILE 38 1.324 -9.329 -0.766 319 HG23 ILE 38 HG23 ILE 38 1.645 -10.180 -2.272 320 HD11 ILE 38 HD11 ILE 38 -1.370 -9.151 -1.244 321 HD12 ILE 38 HD12 ILE 38 -2.185 -8.374 -2.601 322 HD13 ILE 38 HD13 ILE 38 -2.265 -7.654 -0.991 323 H SER 39 H SER 39 2.086 -6.908 -4.868 324 HA SER 39 HA SER 39 3.547 -9.181 -5.693 325 HB2 SER 39 HB2 SER 39 1.735 -8.243 -7.074 326 HB3 SER 39 HB3 SER 39 2.678 -6.772 -7.298 327 HG SER 39 HG SER 39 3.462 -9.376 -8.127 328 H THR 40 H THR 40 4.261 -5.972 -4.867 329 HA THR 40 HA THR 40 6.768 -5.760 -6.255 330 HB THR 40 HB THR 40 5.519 -4.035 -4.106 331 HG1 THR 40 HG1 THR 40 4.371 -4.223 -6.153 332 HG21 THR 40 HG21 THR 40 7.781 -3.383 -5.994 333 HG22 THR 40 HG22 THR 40 7.957 -3.721 -4.273 334 HG23 THR 40 HG23 THR 40 7.059 -2.298 -4.804 335 H SER 41 H SER 41 5.717 -6.195 -2.890 336 HA SER 41 HA SER 41 8.411 -6.189 -1.913 337 HB2 SER 41 HB2 SER 41 6.586 -5.192 -0.645 338 HB3 SER 41 HB3 SER 41 5.882 -6.784 -0.496 339 HG SER 41 HG SER 41 7.188 -6.023 1.321 340 H THR 42 H THR 42 5.796 -8.613 -1.819 341 HA THR 42 HA THR 42 7.572 -10.537 -0.661 342 HB THR 42 HB THR 42 5.684 -12.078 -0.685 343 HG1 THR 42 HG1 THR 42 4.433 -10.050 -2.258 344 HG21 THR 42 HG21 THR 42 4.116 -10.766 0.681 345 HG22 THR 42 HG22 THR 42 4.897 -9.281 0.136 346 HG23 THR 42 HG23 THR 42 5.795 -10.440 1.115 347 H SER 43 H SER 43 7.955 -9.496 -3.503 348 HA SER 43 HA SER 43 7.828 -11.877 -5.111 349 HB2 SER 43 HB2 SER 43 7.650 -9.554 -6.056 350 HB3 SER 43 HB3 SER 43 9.344 -9.307 -5.641 351 HG SER 43 HG SER 43 8.575 -11.515 -7.208 352 H ASP 44 H ASP 44 10.170 -10.162 -3.150 353 HA ASP 44 HA ASP 44 11.785 -12.410 -2.732 354 HB2 ASP 44 HB2 ASP 44 12.510 -12.094 -5.047 355 HB3 ASP 44 HB3 ASP 44 12.973 -10.434 -4.692 356 HA PRO 45 HA PRO 45 14.152 -8.576 -1.027 357 HB2 PRO 45 HB2 PRO 45 12.374 -6.298 -1.287 358 HB3 PRO 45 HB3 PRO 45 14.029 -6.458 -1.787 359 HG2 PRO 45 HG2 PRO 45 11.942 -6.290 -3.462 360 HG3 PRO 45 HG3 PRO 45 13.426 -7.135 -3.797 361 HD2 PRO 45 HD2 PRO 45 10.808 -8.228 -3.034 362 HD3 PRO 45 HD3 PRO 45 11.995 -8.881 -4.164 363 H ASP 46 H ASP 46 14.138 -7.592 0.996 364 HA ASP 46 HA ASP 46 11.738 -7.309 2.549 365 HB2 ASP 46 HB2 ASP 46 11.983 -9.700 2.812 366 HB3 ASP 46 HB3 ASP 46 13.699 -9.531 3.167 367 H TYR 47 H TYR 47 15.233 -7.832 2.799 368 HA TYR 47 HA TYR 47 15.412 -5.442 4.503 369 HB2 TYR 47 HB2 TYR 47 17.595 -6.446 5.276 370 HB3 TYR 47 HB3 TYR 47 16.154 -7.333 5.753 371 HD1 TYR 47 HD1 TYR 47 15.659 -9.510 4.795 372 HD2 TYR 47 HD2 TYR 47 19.163 -7.381 3.684 373 HE1 TYR 47 HE1 TYR 47 16.589 -11.568 3.818 374 HE2 TYR 47 HE2 TYR 47 20.104 -9.428 2.699 375 HH TYR 47 HH TYR 47 19.836 -11.879 2.973 376 H ALA 48 H ALA 48 15.273 -5.474 1.651 377 HA ALA 48 HA ALA 48 16.207 -4.562 -0.192 378 HB1 ALA 48 HB1 ALA 48 17.936 -2.863 0.081 379 HB2 ALA 48 HB2 ALA 48 18.203 -3.388 1.744 380 HB3 ALA 48 HB3 ALA 48 16.660 -2.665 1.284 381 H1 SER 0 H1 SER 0 -1.592 16.251 -8.616 382 H2 SER 0 H2 SER 0 -1.499 17.419 -7.403 383 H3 SER 0 H3 SER 0 -1.240 15.793 -7.029 384 HA SER 0 HA SER 0 0.733 15.763 -8.394 385 HB2 SER 0 HB2 SER 0 1.571 18.069 -9.129 386 HB3 SER 0 HB3 SER 0 0.234 17.386 -10.052 387 HG SER 0 HG SER 0 0.205 19.470 -8.149 388 H MET 1 H MET 1 1.384 15.133 -6.329 389 HA MET 1 HA MET 1 2.545 17.302 -4.712 390 HB2 MET 1 HB2 MET 1 1.122 14.830 -3.706 391 HB3 MET 1 HB3 MET 1 2.079 15.893 -2.686 392 HG2 MET 1 HG2 MET 1 -0.391 16.680 -4.217 393 HG3 MET 1 HG3 MET 1 -0.310 16.339 -2.489 394 HE1 MET 1 HE1 MET 1 2.498 17.683 -1.715 395 HE2 MET 1 HE2 MET 1 1.033 17.843 -0.747 396 HE3 MET 1 HE3 MET 1 1.953 19.278 -1.200 397 H ASP 2 H ASP 2 3.763 15.795 -6.774 398 HA ASP 2 HA ASP 2 5.391 13.759 -5.460 399 HB2 ASP 2 HB2 ASP 2 5.514 14.676 -8.342 400 HB3 ASP 2 HB3 ASP 2 6.155 13.183 -7.670 401 H GLU 3 H GLU 3 6.334 15.506 -4.070 402 HA GLU 3 HA GLU 3 8.729 16.629 -5.275 403 HB2 GLU 3 HB2 GLU 3 6.903 18.281 -5.676 404 HB3 GLU 3 HB3 GLU 3 6.705 18.415 -3.935 405 HG2 GLU 3 HG2 GLU 3 8.043 20.217 -4.953 406 HG3 GLU 3 HG3 GLU 3 8.883 19.341 -3.685 407 H THR 4 H THR 4 10.181 17.550 -3.676 408 HA THR 4 HA THR 4 11.384 17.480 -1.778 409 HB THR 4 HB THR 4 10.075 17.851 0.388 410 HG1 THR 4 HG1 THR 4 8.053 17.102 -1.043 411 HG21 THR 4 HG21 THR 4 9.599 20.185 -0.197 412 HG22 THR 4 HG22 THR 4 9.746 19.780 -1.906 413 HG23 THR 4 HG23 THR 4 11.148 19.650 -0.848 414 H VAL 5 H VAL 5 11.964 15.274 -2.264 415 HA VAL 5 HA VAL 5 11.643 13.696 0.113 416 HB VAL 5 HB VAL 5 9.754 12.838 -1.116 417 HG11 VAL 5 HG11 VAL 5 10.397 13.495 -3.352 418 HG12 VAL 5 HG12 VAL 5 10.000 11.777 -3.308 419 HG13 VAL 5 HG13 VAL 5 11.685 12.293 -3.356 420 HG21 VAL 5 HG21 VAL 5 12.068 10.909 -1.208 421 HG22 VAL 5 HG22 VAL 5 10.361 10.468 -1.266 422 HG23 VAL 5 HG23 VAL 5 11.029 11.228 0.179 423 H LYS 6 H LYS 6 13.624 13.031 0.650 424 HA LYS 6 HA LYS 6 15.531 12.276 -1.408 425 HB2 LYS 6 HB2 LYS 6 15.782 14.706 -1.222 426 HB3 LYS 6 HB3 LYS 6 16.065 14.528 0.492 427 HG2 LYS 6 HG2 LYS 6 18.085 13.244 0.035 428 HG3 LYS 6 HG3 LYS 6 17.800 13.464 -1.686 429 HD2 LYS 6 HD2 LYS 6 18.005 15.871 -1.441 430 HD3 LYS 6 HD3 LYS 6 18.222 15.685 0.296 431 HE2 LYS 6 HE2 LYS 6 20.271 14.438 -0.071 432 HE3 LYS 6 HE3 LYS 6 20.045 14.579 -1.810 433 HZ1 LYS 6 HZ1 LYS 6 20.457 16.836 0.064 434 HZ2 LYS 6 HZ2 LYS 6 20.230 16.977 -1.604 435 HZ3 LYS 6 HZ3 LYS 6 21.613 16.216 -1.000 436 H LEU 7 H LEU 7 17.061 10.867 -0.733 437 HA LEU 7 HA LEU 7 18.108 9.317 0.526 438 HB2 LEU 7 HB2 LEU 7 17.409 11.103 2.810 439 HB3 LEU 7 HB3 LEU 7 18.441 9.708 2.950 440 HG LEU 7 HG LEU 7 18.999 12.182 1.319 441 HD11 LEU 7 HD11 LEU 7 20.786 12.562 2.936 442 HD12 LEU 7 HD12 LEU 7 20.258 11.153 3.854 443 HD13 LEU 7 HD13 LEU 7 19.204 12.560 3.713 444 HD21 LEU 7 HD21 LEU 7 20.635 9.701 1.763 445 HD22 LEU 7 HD22 LEU 7 21.203 11.166 0.965 446 HD23 LEU 7 HD23 LEU 7 19.903 10.217 0.248 447 H ASN 8 H ASN 8 15.752 10.140 3.013 448 HA ASN 8 HA ASN 8 14.599 7.500 2.997 449 HB2 ASN 8 HB2 ASN 8 12.871 8.555 4.495 450 HB3 ASN 8 HB3 ASN 8 14.488 8.770 5.099 451 HD21 ASN 8 HD21 ASN 8 15.183 10.762 5.444 452 HD22 ASN 8 HD22 ASN 8 14.246 12.163 5.107 453 H HIS 9 H HIS 9 12.504 6.987 2.274 454 HA HIS 9 HA HIS 9 11.151 9.080 0.709 455 HB2 HIS 9 HB2 HIS 9 10.570 6.120 0.679 456 HB3 HIS 9 HB3 HIS 9 9.859 7.336 -0.364 457 HD1 HIS 9 HD1 HIS 9 12.625 4.965 -0.204 458 HD2 HIS 9 HD2 HIS 9 11.793 8.505 -2.218 459 HE1 HIS 9 HE1 HIS 9 14.261 5.064 -2.106 460 HE2 HIS 9 HE2 HIS 9 13.828 7.274 -3.230 461 H THR 10 H THR 10 9.365 9.890 1.590 462 HA THR 10 HA THR 10 8.739 9.072 4.279 463 HB THR 10 HB THR 10 7.403 11.194 2.569 464 HG1 THR 10 HG1 THR 10 9.835 11.133 3.665 465 HG21 THR 10 HG21 THR 10 6.004 10.482 4.462 466 HG22 THR 10 HG22 THR 10 6.623 12.112 4.717 467 HG23 THR 10 HG23 THR 10 7.354 10.752 5.564 468 H CYS 11 H CYS 11 7.082 7.874 4.942 469 HA CYS 11 HA CYS 11 5.674 6.330 3.052 470 HB2 CYS 11 HB2 CYS 11 6.145 5.458 5.250 471 HB3 CYS 11 HB3 CYS 11 5.241 6.767 6.003 472 H VAL 12 H VAL 12 3.825 6.638 2.034 473 HA VAL 12 HA VAL 12 2.267 8.988 2.215 474 HB VAL 12 HB VAL 12 0.616 7.779 0.813 475 HG11 VAL 12 HG11 VAL 12 2.451 8.848 -0.318 476 HG12 VAL 12 HG12 VAL 12 2.087 7.313 -1.111 477 HG13 VAL 12 HG13 VAL 12 3.484 7.446 -0.040 478 HG21 VAL 12 HG21 VAL 12 1.135 5.495 0.046 479 HG22 VAL 12 HG22 VAL 12 0.768 5.574 1.768 480 HG23 VAL 12 HG23 VAL 12 2.440 5.420 1.231 481 H ILE 13 H ILE 13 2.286 6.118 4.065 482 HA ILE 13 HA ILE 13 -0.501 6.343 4.926 483 HB ILE 13 HB ILE 13 1.496 4.269 5.732 484 HG12 ILE 13 HG12 ILE 13 1.372 4.408 3.281 485 HG13 ILE 13 HG13 ILE 13 0.725 2.904 3.911 486 HG21 ILE 13 HG21 ILE 13 -1.506 4.280 5.629 487 HG22 ILE 13 HG22 ILE 13 -0.507 4.352 7.080 488 HG23 ILE 13 HG23 ILE 13 -0.507 2.899 6.080 489 HD11 ILE 13 HD11 ILE 13 -0.956 5.261 3.190 490 HD12 ILE 13 HD12 ILE 13 -1.493 3.626 3.582 491 HD13 ILE 13 HD13 ILE 13 -0.592 3.929 2.093 492 H CYS 14 H CYS 14 2.648 5.825 6.437 493 HA CYS 14 HA CYS 14 1.511 6.593 8.975 494 HB2 CYS 14 HB2 CYS 14 4.260 5.532 8.653 495 HB3 CYS 14 HB3 CYS 14 3.143 5.319 9.976 496 H ASP 15 H ASP 15 3.180 7.984 6.500 497 HA ASP 15 HA ASP 15 4.147 10.004 6.144 498 HB2 ASP 15 HB2 ASP 15 2.042 10.553 7.386 499 HB3 ASP 15 HB3 ASP 15 3.040 10.845 8.794 500 H GLN 16 H GLN 16 5.799 8.208 7.138 501 HA GLN 16 HA GLN 16 7.576 9.717 8.903 502 HB2 GLN 16 HB2 GLN 16 7.163 6.734 8.745 503 HB3 GLN 16 HB3 GLN 16 8.401 7.517 9.707 504 HG2 GLN 16 HG2 GLN 16 5.451 7.777 10.039 505 HG3 GLN 16 HG3 GLN 16 6.546 6.892 11.077 506 HE21 GLN 16 HE21 GLN 16 4.740 9.002 11.773 507 HE22 GLN 16 HE22 GLN 16 5.698 10.269 12.438 508 H GLU 17 H GLU 17 9.775 9.579 8.467 509 HA GLU 17 HA GLU 17 10.416 9.246 5.681 510 HB2 GLU 17 HB2 GLU 17 12.148 10.168 7.971 511 HB3 GLU 17 HB3 GLU 17 12.596 10.190 6.275 512 HG2 GLU 17 HG2 GLU 17 10.965 11.795 5.750 513 HG3 GLU 17 HG3 GLU 17 10.196 11.620 7.323 514 H LYS 18 H LYS 18 10.710 7.338 5.059 515 HA LYS 18 HA LYS 18 12.284 5.445 6.673 516 HB2 LYS 18 HB2 LYS 18 10.309 4.442 4.742 517 HB3 LYS 18 HB3 LYS 18 10.872 3.714 6.214 518 HG2 LYS 18 HG2 LYS 18 8.906 5.960 5.966 519 HG3 LYS 18 HG3 LYS 18 8.563 4.298 6.439 520 HD2 LYS 18 HD2 LYS 18 10.488 5.944 7.987 521 HD3 LYS 18 HD3 LYS 18 8.780 6.125 8.237 522 HE2 LYS 18 HE2 LYS 18 9.678 4.617 9.867 523 HE3 LYS 18 HE3 LYS 18 8.630 3.772 8.755 524 HZ1 LYS 18 HZ1 LYS 18 10.477 2.798 7.671 525 HZ2 LYS 18 HZ2 LYS 18 10.723 2.589 9.328 526 HZ3 LYS 18 HZ3 LYS 18 11.573 3.786 8.495 527 H ASN 19 H ASN 19 13.954 4.447 5.675 528 HA ASN 19 HA ASN 19 14.247 4.980 2.813 529 HB2 ASN 19 HB2 ASN 19 16.567 4.553 3.045 530 HB3 ASN 19 HB3 ASN 19 16.115 5.531 4.429 531 HD21 ASN 19 HD21 ASN 19 18.360 3.696 3.996 532 HD22 ASN 19 HD22 ASN 19 18.279 2.542 5.321 533 H ARG 20 H ARG 20 12.876 2.713 4.700 534 HA ARG 20 HA ARG 20 13.365 0.604 2.716 535 HB2 ARG 20 HB2 ARG 20 13.328 0.350 5.699 536 HB3 ARG 20 HB3 ARG 20 12.950 -1.021 4.693 537 HG2 ARG 20 HG2 ARG 20 15.123 -0.757 3.584 538 HG3 ARG 20 HG3 ARG 20 15.510 0.501 4.749 539 HD2 ARG 20 HD2 ARG 20 15.129 -1.041 6.505 540 HD3 ARG 20 HD3 ARG 20 14.672 -2.295 5.400 541 HE ARG 20 HE ARG 20 17.314 -1.291 4.916 542 HH11 ARG 20 HH11 ARG 20 15.419 -3.546 6.799 543 HH12 ARG 20 HH12 ARG 20 16.749 -4.620 7.100 544 HH21 ARG 20 HH21 ARG 20 19.074 -2.720 5.289 545 HH22 ARG 20 HH22 ARG 20 18.822 -4.152 6.238 546 H GLY 21 H GLY 21 11.682 -0.551 2.044 547 HA2 GLY 21 HA2 GLY 21 9.245 -1.179 2.753 548 HA3 GLY 21 HA3 GLY 21 9.000 0.556 2.555 549 H ILE 22 H ILE 22 7.612 0.242 0.599 550 HA ILE 22 HA ILE 22 9.238 -0.613 -1.697 551 HB ILE 22 HB ILE 22 7.504 -1.765 -2.691 552 HG12 ILE 22 HG12 ILE 22 5.669 -0.287 -0.845 553 HG13 ILE 22 HG13 ILE 22 5.902 0.020 -2.531 554 HG21 ILE 22 HG21 ILE 22 8.191 -3.088 -0.822 555 HG22 ILE 22 HG22 ILE 22 6.435 -3.225 -0.967 556 HG23 ILE 22 HG23 ILE 22 7.141 -2.185 0.271 557 HD11 ILE 22 HD11 ILE 22 4.745 -2.479 -1.375 558 HD12 ILE 22 HD12 ILE 22 4.959 -2.122 -3.090 559 HD13 ILE 22 HD13 ILE 22 3.840 -1.164 -2.119 560 H HIS 23 H HIS 23 7.706 0.082 -3.708 561 HA HIS 23 HA HIS 23 6.804 2.774 -3.443 562 HB2 HIS 23 HB2 HIS 23 8.569 3.740 -4.959 563 HB3 HIS 23 HB3 HIS 23 9.122 3.326 -3.353 564 HD1 HIS 23 HD1 HIS 23 9.550 2.417 -6.954 565 HD2 HIS 23 HD2 HIS 23 10.959 1.275 -3.236 566 HE1 HIS 23 HE1 HIS 23 11.567 0.991 -7.418 567 HE2 HIS 23 HE2 HIS 23 12.303 0.169 -5.153 568 H LEU 24 H LEU 24 5.064 2.678 -4.679 569 HA LEU 24 HA LEU 24 5.270 1.566 -7.359 570 HB2 LEU 24 HB2 LEU 24 2.831 2.440 -5.819 571 HB3 LEU 24 HB3 LEU 24 2.887 1.593 -7.316 572 HG LEU 24 HG LEU 24 3.911 0.412 -4.768 573 HD11 LEU 24 HD11 LEU 24 1.213 0.177 -6.079 574 HD12 LEU 24 HD12 LEU 24 1.575 0.807 -4.471 575 HD13 LEU 24 HD13 LEU 24 1.802 -0.907 -4.821 576 HD21 LEU 24 HD21 LEU 24 4.846 -0.576 -6.780 577 HD22 LEU 24 HD22 LEU 24 3.228 -0.790 -7.448 578 HD23 LEU 24 HD23 LEU 24 3.718 -1.695 -6.015 579 H TYR 25 H TYR 25 4.897 2.902 -9.095 580 HA TYR 25 HA TYR 25 4.809 4.830 -10.281 581 HB2 TYR 25 HB2 TYR 25 3.185 5.872 -7.987 582 HB3 TYR 25 HB3 TYR 25 3.252 6.574 -9.587 583 HD1 TYR 25 HD1 TYR 25 0.959 6.400 -10.287 584 HD2 TYR 25 HD2 TYR 25 2.936 2.984 -8.706 585 HE1 TYR 25 HE1 TYR 25 -0.958 4.990 -10.931 586 HE2 TYR 25 HE2 TYR 25 1.055 1.576 -9.338 587 HH TYR 25 HH TYR 25 -1.549 2.025 -9.790 588 H THR 26 H THR 26 4.520 7.194 -7.935 589 HA THR 26 HA THR 26 7.440 7.524 -7.860 590 HB THR 26 HB THR 26 7.173 9.849 -7.774 591 HG1 THR 26 HG1 THR 26 4.843 10.656 -7.514 592 HG21 THR 26 HG21 THR 26 5.672 10.415 -9.613 593 HG22 THR 26 HG22 THR 26 4.862 8.857 -9.441 594 HG23 THR 26 HG23 THR 26 6.547 8.926 -9.966 595 H LYS 27 H LYS 27 5.109 6.255 -5.948 596 HA LYS 27 HA LYS 27 5.675 7.968 -3.629 597 HB2 LYS 27 HB2 LYS 27 3.539 5.998 -3.318 598 HB3 LYS 27 HB3 LYS 27 3.585 7.687 -2.863 599 HG2 LYS 27 HG2 LYS 27 2.986 6.568 -5.570 600 HG3 LYS 27 HG3 LYS 27 1.848 7.296 -4.444 601 HD2 LYS 27 HD2 LYS 27 4.165 8.735 -5.708 602 HD3 LYS 27 HD3 LYS 27 2.499 8.810 -6.279 603 HE2 LYS 27 HE2 LYS 27 2.846 9.384 -3.423 604 HE3 LYS 27 HE3 LYS 27 3.592 10.557 -4.506 605 HZ1 LYS 27 HZ1 LYS 27 0.734 9.732 -4.424 606 HZ2 LYS 27 HZ2 LYS 27 1.390 10.685 -5.656 607 HZ3 LYS 27 HZ3 LYS 27 1.372 11.258 -4.066 608 H PHE 28 H PHE 28 4.975 6.531 -1.600 609 HA PHE 28 HA PHE 28 6.584 4.113 -1.546 610 HB2 PHE 28 HB2 PHE 28 8.239 5.852 -1.232 611 HB3 PHE 28 HB3 PHE 28 7.264 6.610 0.019 612 HD1 PHE 28 HD1 PHE 28 7.359 5.899 2.243 613 HD2 PHE 28 HD2 PHE 28 9.282 3.616 -0.778 614 HE1 PHE 28 HE1 PHE 28 8.491 4.577 3.966 615 HE2 PHE 28 HE2 PHE 28 10.406 2.271 0.949 616 HZ PHE 28 HZ PHE 28 9.996 2.736 3.342 617 H ILE 29 H ILE 29 5.131 2.783 -0.671 618 HA ILE 29 HA ILE 29 3.805 3.511 1.846 619 HB ILE 29 HB ILE 29 3.815 0.869 0.345 620 HG12 ILE 29 HG12 ILE 29 1.246 1.632 0.225 621 HG13 ILE 29 HG13 ILE 29 2.008 3.221 0.247 622 HG21 ILE 29 HG21 ILE 29 2.161 1.684 2.744 623 HG22 ILE 29 HG22 ILE 29 3.548 0.584 2.766 624 HG23 ILE 29 HG23 ILE 29 2.076 0.144 1.882 625 HD11 ILE 29 HD11 ILE 29 1.583 2.331 -2.022 626 HD12 ILE 29 HD12 ILE 29 2.723 1.031 -1.684 627 HD13 ILE 29 HD13 ILE 29 3.278 2.706 -1.713 628 H CYS 30 H CYS 30 4.987 3.184 3.722 629 HA CYS 30 HA CYS 30 7.513 1.908 3.367 630 HB2 CYS 30 HB2 CYS 30 8.144 2.556 5.520 631 HB3 CYS 30 HB3 CYS 30 7.161 3.859 4.909 632 H LEU 31 H LEU 31 8.242 0.264 4.876 633 HA LEU 31 HA LEU 31 7.180 -2.020 3.853 634 HB2 LEU 31 HB2 LEU 31 8.897 -3.091 4.947 635 HB3 LEU 31 HB3 LEU 31 9.496 -1.490 4.707 636 HG LEU 31 HG LEU 31 8.588 -1.158 7.173 637 HD11 LEU 31 HD11 LEU 31 7.678 -3.412 7.398 638 HD12 LEU 31 HD12 LEU 31 8.995 -3.141 8.539 639 HD13 LEU 31 HD13 LEU 31 9.274 -4.093 7.082 640 HD21 LEU 31 HD21 LEU 31 10.855 -1.611 7.955 641 HD22 LEU 31 HD22 LEU 31 10.869 -0.778 6.402 642 HD23 LEU 31 HD23 LEU 31 11.189 -2.511 6.477 643 H ASP 32 H ASP 32 6.039 -0.354 6.557 644 HA ASP 32 HA ASP 32 5.208 -2.611 8.084 645 HB2 ASP 32 HB2 ASP 32 4.816 -1.063 9.651 646 HB3 ASP 32 HB3 ASP 32 5.980 -0.173 8.756 647 H CYS 33 H CYS 33 3.720 0.005 6.434 648 HA CYS 33 HA CYS 33 1.075 -0.830 6.554 649 HB2 CYS 33 HB2 CYS 33 0.945 0.984 4.674 650 HB3 CYS 33 HB3 CYS 33 1.260 1.461 6.326 651 H GLU 34 H GLU 34 3.684 -1.172 4.413 652 HA GLU 34 HA GLU 34 2.365 -1.996 2.115 653 HB2 GLU 34 HB2 GLU 34 4.709 -1.500 2.060 654 HB3 GLU 34 HB3 GLU 34 5.068 -2.752 3.208 655 HG2 GLU 34 HG2 GLU 34 3.790 -3.622 0.728 656 HG3 GLU 34 HG3 GLU 34 5.426 -3.033 0.593 657 H ARG 35 H ARG 35 3.497 -3.930 4.842 658 HA ARG 35 HA ARG 35 2.176 -6.249 3.824 659 HB2 ARG 35 HB2 ARG 35 2.618 -7.295 6.036 660 HB3 ARG 35 HB3 ARG 35 4.053 -6.671 5.240 661 HG2 ARG 35 HG2 ARG 35 4.014 -4.714 6.685 662 HG3 ARG 35 HG3 ARG 35 2.563 -5.323 7.464 663 HD2 ARG 35 HD2 ARG 35 5.201 -6.696 7.415 664 HD3 ARG 35 HD3 ARG 35 4.555 -5.799 8.778 665 HE ARG 35 HE ARG 35 2.660 -7.506 8.627 666 HH11 ARG 35 HH11 ARG 35 5.991 -8.224 7.797 667 HH12 ARG 35 HH12 ARG 35 5.857 -9.904 8.203 668 HH21 ARG 35 HH21 ARG 35 2.481 -9.717 9.144 669 HH22 ARG 35 HH22 ARG 35 3.862 -10.755 8.968 670 H LYS 36 H LYS 36 1.137 -3.597 5.719 671 HA LYS 36 HA LYS 36 -0.907 -4.766 7.215 672 HB2 LYS 36 HB2 LYS 36 -0.571 -1.998 6.102 673 HB3 LYS 36 HB3 LYS 36 -1.814 -2.457 7.227 674 HG2 LYS 36 HG2 LYS 36 0.133 -3.146 8.730 675 HG3 LYS 36 HG3 LYS 36 1.113 -2.258 7.656 676 HD2 LYS 36 HD2 LYS 36 0.228 -0.359 8.302 677 HD3 LYS 36 HD3 LYS 36 -1.308 -1.019 8.781 678 HE2 LYS 36 HE2 LYS 36 0.075 -0.243 10.673 679 HE3 LYS 36 HE3 LYS 36 -0.304 -1.957 10.758 680 HZ1 LYS 36 HZ1 LYS 36 1.990 -1.581 11.317 681 HZ2 LYS 36 HZ2 LYS 36 2.263 -0.751 9.869 682 HZ3 LYS 36 HZ3 LYS 36 1.913 -2.411 9.844 683 H VAL 37 H VAL 37 -0.667 -3.302 4.110 684 HA VAL 37 HA VAL 37 -3.295 -3.073 3.407 685 HB VAL 37 HB VAL 37 -2.565 -3.108 1.080 686 HG11 VAL 37 HG11 VAL 37 -1.260 -1.136 1.120 687 HG12 VAL 37 HG12 VAL 37 -0.510 -1.583 2.652 688 HG13 VAL 37 HG13 VAL 37 -2.206 -1.089 2.609 689 HG21 VAL 37 HG21 VAL 37 0.009 -3.218 0.820 690 HG22 VAL 37 HG22 VAL 37 -0.983 -4.676 0.784 691 HG23 VAL 37 HG23 VAL 37 -0.106 -4.239 2.259 692 H ILE 38 H ILE 38 -1.125 -5.736 2.838 693 HA ILE 38 HA ILE 38 -2.734 -7.413 1.296 694 HB ILE 38 HB ILE 38 -0.799 -8.474 3.335 695 HG12 ILE 38 HG12 ILE 38 -0.119 -6.919 0.857 696 HG13 ILE 38 HG13 ILE 38 0.446 -6.655 2.489 697 HG21 ILE 38 HG21 ILE 38 -0.249 -10.038 1.469 698 HG22 ILE 38 HG22 ILE 38 -1.567 -9.303 0.556 699 HG23 ILE 38 HG23 ILE 38 -1.904 -10.143 2.065 700 HD11 ILE 38 HD11 ILE 38 1.129 -9.171 1.036 701 HD12 ILE 38 HD12 ILE 38 1.958 -8.403 2.390 702 HD13 ILE 38 HD13 ILE 38 2.050 -7.691 0.777 703 H SER 39 H SER 39 -2.286 -6.856 4.653 704 HA SER 39 HA SER 39 -3.788 -9.098 5.485 705 HB2 SER 39 HB2 SER 39 -1.951 -8.187 6.855 706 HB3 SER 39 HB3 SER 39 -2.873 -6.703 7.084 707 HG SER 39 HG SER 39 -3.710 -9.291 7.907 708 H THR 40 H THR 40 -4.443 -5.880 4.650 709 HA THR 40 HA THR 40 -6.948 -5.621 6.037 710 HB THR 40 HB THR 40 -5.669 -3.925 3.882 711 HG1 THR 40 HG1 THR 40 -4.530 -4.117 5.936 712 HG21 THR 40 HG21 THR 40 -7.926 -3.231 5.766 713 HG22 THR 40 HG22 THR 40 -8.106 -3.572 4.045 714 HG23 THR 40 HG23 THR 40 -7.186 -2.162 4.572 715 H SER 41 H SER 41 -5.904 -6.081 2.671 716 HA SER 41 HA SER 41 -8.598 -6.037 1.697 717 HB2 SER 41 HB2 SER 41 -6.763 -5.077 0.417 718 HB3 SER 41 HB3 SER 41 -6.081 -6.680 0.281 719 HG SER 41 HG SER 41 -7.395 -5.898 -1.540 720 H THR 42 H THR 42 -6.026 -8.508 1.604 721 HA THR 42 HA THR 42 -7.837 -10.405 0.457 722 HB THR 42 HB THR 42 -5.975 -11.977 0.492 723 HG1 THR 42 HG1 THR 42 -4.689 -9.955 2.048 724 HG21 THR 42 HG21 THR 42 -4.386 -10.698 -0.882 725 HG22 THR 42 HG22 THR 42 -5.141 -9.197 -0.343 726 HG23 THR 42 HG23 THR 42 -6.059 -10.345 -1.317 727 H SER 43 H SER 43 -8.198 -9.344 3.300 728 HA SER 43 HA SER 43 -8.112 -11.722 4.915 729 HB2 SER 43 HB2 SER 43 -7.895 -9.403 5.858 730 HB3 SER 43 HB3 SER 43 -9.585 -9.126 5.440 731 HG SER 43 HG SER 43 -8.830 -11.335 7.019 732 H ASP 44 H ASP 44 -10.427 -9.973 2.948 733 HA ASP 44 HA ASP 44 -12.080 -12.195 2.540 734 HB2 ASP 44 HB2 ASP 44 -12.798 -11.857 4.850 735 HB3 ASP 44 HB3 ASP 44 -13.231 -10.192 4.487 736 HA PRO 45 HA PRO 45 -14.383 -8.327 0.823 737 HB2 PRO 45 HB2 PRO 45 -12.529 -6.084 1.031 738 HB3 PRO 45 HB3 PRO 45 -14.198 -6.192 1.549 739 HG2 PRO 45 HG2 PRO 45 -12.177 -6.070 3.233 740 HG3 PRO 45 HG3 PRO 45 -13.670 -6.915 3.617 741 HD2 PRO 45 HD2 PRO 45 -11.018 -8.023 2.809 742 HD3 PRO 45 HD3 PRO 45 -12.207 -8.665 3.957 743 H ASP 46 H ASP 46 -14.338 -7.330 -1.185 744 HA ASP 46 HA ASP 46 -11.947 -7.114 -2.762 745 HB2 ASP 46 HB2 ASP 46 -12.237 -9.503 -3.013 746 HB3 ASP 46 HB3 ASP 46 -13.951 -9.304 -3.368 747 H TYR 47 H TYR 47 -15.451 -7.581 -3.012 748 HA TYR 47 HA TYR 47 -15.589 -5.190 -4.719 749 HB2 TYR 47 HB2 TYR 47 -17.790 -6.158 -5.491 750 HB3 TYR 47 HB3 TYR 47 -16.364 -7.072 -5.967 751 HD1 TYR 47 HD1 TYR 47 -15.909 -9.253 -4.999 752 HD2 TYR 47 HD2 TYR 47 -19.374 -7.060 -3.893 753 HE1 TYR 47 HE1 TYR 47 -16.872 -11.290 -4.011 754 HE2 TYR 47 HE2 TYR 47 -20.350 -9.085 -2.899 755 HH TYR 47 HH TYR 47 -20.123 -11.548 -3.157 756 H ALA 48 H ALA 48 -15.455 -5.222 -1.865 757 HA ALA 48 HA ALA 48 -16.365 -4.277 -0.028 758 HB1 ALA 48 HB1 ALA 48 -18.063 -2.549 -0.308 759 HB2 ALA 48 HB2 ALA 48 -18.338 -3.075 -1.968 760 HB3 ALA 48 HB3 ALA 48 -16.785 -2.378 -1.510 Start of MODEL 12 1 H1 SER 0 H1 SER 0 3.210 17.388 -9.384 2 H2 SER 0 H2 SER 0 3.157 15.922 -8.547 3 H3 SER 0 H3 SER 0 3.493 17.355 -7.718 4 HA SER 0 HA SER 0 1.302 18.185 -8.164 5 HB2 SER 0 HB2 SER 0 0.830 15.480 -9.440 6 HB3 SER 0 HB3 SER 0 -0.344 16.786 -9.282 7 HG SER 0 HG SER 0 0.394 17.481 -11.115 8 H MET 1 H MET 1 -0.188 17.934 -6.524 9 HA MET 1 HA MET 1 0.051 15.525 -4.858 10 HB2 MET 1 HB2 MET 1 -0.051 18.378 -3.856 11 HB3 MET 1 HB3 MET 1 -0.129 16.947 -2.840 12 HG2 MET 1 HG2 MET 1 2.120 16.309 -3.603 13 HG3 MET 1 HG3 MET 1 2.193 17.787 -4.560 14 HE1 MET 1 HE1 MET 1 0.719 17.172 -0.938 15 HE2 MET 1 HE2 MET 1 2.115 17.608 0.046 16 HE3 MET 1 HE3 MET 1 2.187 16.200 -1.013 17 H ASP 2 H ASP 2 -1.841 14.912 -3.778 18 HA ASP 2 HA ASP 2 -4.254 15.896 -5.074 19 HB2 ASP 2 HB2 ASP 2 -5.328 13.906 -4.324 20 HB3 ASP 2 HB3 ASP 2 -3.727 13.423 -4.875 21 H GLU 3 H GLU 3 -6.161 16.399 -3.881 22 HA GLU 3 HA GLU 3 -6.138 16.718 -1.068 23 HB2 GLU 3 HB2 GLU 3 -6.414 19.199 -1.064 24 HB3 GLU 3 HB3 GLU 3 -4.791 18.647 -1.456 25 HG2 GLU 3 HG2 GLU 3 -5.253 18.974 -3.815 26 HG3 GLU 3 HG3 GLU 3 -6.871 19.553 -3.428 27 H THR 4 H THR 4 -8.159 17.580 -0.252 28 HA THR 4 HA THR 4 -10.416 17.750 -0.187 29 HB THR 4 HB THR 4 -10.306 18.463 -3.117 30 HG1 THR 4 HG1 THR 4 -9.161 19.718 -1.055 31 HG21 THR 4 HG21 THR 4 -12.549 18.065 -2.239 32 HG22 THR 4 HG22 THR 4 -12.312 19.781 -2.569 33 HG23 THR 4 HG23 THR 4 -12.239 19.183 -0.911 34 H VAL 5 H VAL 5 -10.642 15.522 0.179 35 HA VAL 5 HA VAL 5 -11.189 13.772 -2.072 36 HB VAL 5 HB VAL 5 -11.239 13.261 0.910 37 HG11 VAL 5 HG11 VAL 5 -11.597 11.341 -1.385 38 HG12 VAL 5 HG12 VAL 5 -12.806 11.778 -0.180 39 HG13 VAL 5 HG13 VAL 5 -11.371 10.872 0.301 40 HG21 VAL 5 HG21 VAL 5 -9.005 13.666 0.012 41 HG22 VAL 5 HG22 VAL 5 -9.267 12.429 -1.218 42 HG23 VAL 5 HG23 VAL 5 -9.199 11.977 0.485 43 H LYS 6 H LYS 6 -13.162 13.406 -2.868 44 HA LYS 6 HA LYS 6 -15.479 14.019 -1.170 45 HB2 LYS 6 HB2 LYS 6 -15.134 15.827 -2.814 46 HB3 LYS 6 HB3 LYS 6 -15.244 14.651 -4.108 47 HG2 LYS 6 HG2 LYS 6 -17.323 15.855 -3.858 48 HG3 LYS 6 HG3 LYS 6 -17.530 14.158 -3.446 49 HD2 LYS 6 HD2 LYS 6 -17.336 14.729 -1.061 50 HD3 LYS 6 HD3 LYS 6 -17.194 16.426 -1.500 51 HE2 LYS 6 HE2 LYS 6 -19.409 16.336 -2.528 52 HE3 LYS 6 HE3 LYS 6 -19.545 14.650 -2.049 53 HZ1 LYS 6 HZ1 LYS 6 -20.688 16.084 -0.496 54 HZ2 LYS 6 HZ2 LYS 6 -19.270 16.956 -0.206 55 HZ3 LYS 6 HZ3 LYS 6 -19.376 15.335 0.265 56 H LEU 7 H LEU 7 -16.335 12.111 -0.742 57 HA LEU 7 HA LEU 7 -17.409 10.141 -1.001 58 HB2 LEU 7 HB2 LEU 7 -17.393 10.813 -3.905 59 HB3 LEU 7 HB3 LEU 7 -18.274 9.483 -3.212 60 HG LEU 7 HG LEU 7 -18.752 12.401 -2.605 61 HD11 LEU 7 HD11 LEU 7 -20.347 10.459 -4.274 62 HD12 LEU 7 HD12 LEU 7 -19.402 11.816 -4.886 63 HD13 LEU 7 HD13 LEU 7 -20.816 12.112 -3.875 64 HD21 LEU 7 HD21 LEU 7 -19.285 10.968 -0.732 65 HD22 LEU 7 HD22 LEU 7 -20.223 9.910 -1.781 66 HD23 LEU 7 HD23 LEU 7 -20.766 11.560 -1.481 67 H ASN 8 H ASN 8 -15.532 10.117 -4.010 68 HA ASN 8 HA ASN 8 -14.403 7.539 -3.379 69 HB2 ASN 8 HB2 ASN 8 -13.611 9.474 -5.571 70 HB3 ASN 8 HB3 ASN 8 -13.179 7.781 -5.480 71 HD21 ASN 8 HD21 ASN 8 -14.520 9.181 -7.581 72 HD22 ASN 8 HD22 ASN 8 -16.040 8.394 -7.795 73 H HIS 9 H HIS 9 -12.514 7.170 -2.363 74 HA HIS 9 HA HIS 9 -11.039 9.463 -1.374 75 HB2 HIS 9 HB2 HIS 9 -10.940 6.516 -0.765 76 HB3 HIS 9 HB3 HIS 9 -9.721 7.630 -0.157 77 HD1 HIS 9 HD1 HIS 9 -10.197 8.392 2.135 78 HD2 HIS 9 HD2 HIS 9 -13.698 7.592 0.031 79 HE1 HIS 9 HE1 HIS 9 -12.075 8.822 3.752 80 HE2 HIS 9 HE2 HIS 9 -14.180 8.264 2.482 81 H THR 10 H THR 10 -9.080 10.090 -2.059 82 HA THR 10 HA THR 10 -8.206 9.197 -4.602 83 HB THR 10 HB THR 10 -6.648 10.910 -2.653 84 HG1 THR 10 HG1 THR 10 -7.759 12.669 -3.735 85 HG21 THR 10 HG21 THR 10 -6.678 10.830 -5.678 86 HG22 THR 10 HG22 THR 10 -5.405 10.184 -4.646 87 HG23 THR 10 HG23 THR 10 -5.714 11.919 -4.682 88 H CYS 11 H CYS 11 -6.761 7.730 -5.170 89 HA CYS 11 HA CYS 11 -5.491 6.043 -3.271 90 HB2 CYS 11 HB2 CYS 11 -6.038 5.232 -5.532 91 HB3 CYS 11 HB3 CYS 11 -4.935 6.407 -6.230 92 H VAL 12 H VAL 12 -3.805 6.623 -2.052 93 HA VAL 12 HA VAL 12 -2.190 8.861 -2.350 94 HB VAL 12 HB VAL 12 -0.516 7.638 -0.932 95 HG11 VAL 12 HG11 VAL 12 -2.282 8.918 0.118 96 HG12 VAL 12 HG12 VAL 12 -1.969 7.443 1.036 97 HG13 VAL 12 HG13 VAL 12 -3.383 7.546 -0.015 98 HG21 VAL 12 HG21 VAL 12 -0.916 5.391 -1.802 99 HG22 VAL 12 HG22 VAL 12 -2.533 5.405 -1.098 100 HG23 VAL 12 HG23 VAL 12 -1.115 5.446 -0.050 101 H ILE 13 H ILE 13 -2.244 6.058 -4.193 102 HA ILE 13 HA ILE 13 0.525 6.207 -5.053 103 HB ILE 13 HB ILE 13 -1.493 4.254 -6.026 104 HG12 ILE 13 HG12 ILE 13 -1.571 4.231 -3.584 105 HG13 ILE 13 HG13 ILE 13 -0.840 2.770 -4.222 106 HG21 ILE 13 HG21 ILE 13 0.442 2.855 -6.384 107 HG22 ILE 13 HG22 ILE 13 1.482 4.083 -5.660 108 HG23 ILE 13 HG23 ILE 13 0.655 4.413 -7.183 109 HD11 ILE 13 HD11 ILE 13 0.726 5.114 -3.251 110 HD12 ILE 13 HD12 ILE 13 1.316 3.500 -3.661 111 HD13 ILE 13 HD13 ILE 13 0.278 3.731 -2.250 112 H CYS 14 H CYS 14 -2.667 5.927 -6.515 113 HA CYS 14 HA CYS 14 -1.698 6.650 -9.113 114 HB2 CYS 14 HB2 CYS 14 -4.477 6.204 -8.095 115 HB3 CYS 14 HB3 CYS 14 -4.088 6.463 -9.772 116 H ASP 15 H ASP 15 -2.829 8.352 -6.417 117 HA ASP 15 HA ASP 15 -3.590 10.430 -6.002 118 HB2 ASP 15 HB2 ASP 15 -2.134 10.926 -8.542 119 HB3 ASP 15 HB3 ASP 15 -2.901 12.226 -7.663 120 H GLN 16 H GLN 16 -5.360 8.632 -7.159 121 HA GLN 16 HA GLN 16 -7.143 10.379 -8.697 122 HB2 GLN 16 HB2 GLN 16 -6.786 7.402 -9.076 123 HB3 GLN 16 HB3 GLN 16 -7.903 8.425 -9.954 124 HG2 GLN 16 HG2 GLN 16 -4.926 8.593 -10.050 125 HG3 GLN 16 HG3 GLN 16 -5.957 7.898 -11.284 126 HE21 GLN 16 HE21 GLN 16 -4.054 10.068 -11.455 127 HE22 GLN 16 HE22 GLN 16 -4.942 11.424 -12.038 128 H GLU 17 H GLU 17 -9.274 10.305 -8.083 129 HA GLU 17 HA GLU 17 -9.831 9.374 -5.454 130 HB2 GLU 17 HB2 GLU 17 -11.573 10.750 -7.487 131 HB3 GLU 17 HB3 GLU 17 -12.049 10.405 -5.833 132 HG2 GLU 17 HG2 GLU 17 -10.458 11.881 -4.949 133 HG3 GLU 17 HG3 GLU 17 -9.625 12.017 -6.493 134 H LYS 18 H LYS 18 -10.193 7.415 -5.127 135 HA LYS 18 HA LYS 18 -11.858 5.815 -6.959 136 HB2 LYS 18 HB2 LYS 18 -9.936 4.475 -5.187 137 HB3 LYS 18 HB3 LYS 18 -10.521 3.985 -6.745 138 HG2 LYS 18 HG2 LYS 18 -8.442 6.067 -6.187 139 HG3 LYS 18 HG3 LYS 18 -8.188 4.470 -6.892 140 HD2 LYS 18 HD2 LYS 18 -10.080 6.305 -8.223 141 HD3 LYS 18 HD3 LYS 18 -8.378 6.639 -8.363 142 HE2 LYS 18 HE2 LYS 18 -9.130 5.359 -10.249 143 HE3 LYS 18 HE3 LYS 18 -8.051 4.415 -9.250 144 HZ1 LYS 18 HZ1 LYS 18 -9.940 3.250 -8.321 145 HZ2 LYS 18 HZ2 LYS 18 -9.967 3.129 -10.007 146 HZ3 LYS 18 HZ3 LYS 18 -11.005 4.208 -9.223 147 H ASN 19 H ASN 19 -13.498 4.607 -6.064 148 HA ASN 19 HA ASN 19 -13.955 5.090 -3.216 149 HB2 ASN 19 HB2 ASN 19 -16.232 4.534 -3.572 150 HB3 ASN 19 HB3 ASN 19 -15.758 5.517 -4.949 151 HD21 ASN 19 HD21 ASN 19 -15.541 4.577 -6.974 152 HD22 ASN 19 HD22 ASN 19 -16.233 3.001 -7.333 153 H ARG 20 H ARG 20 -12.532 2.774 -5.108 154 HA ARG 20 HA ARG 20 -13.146 0.698 -3.123 155 HB2 ARG 20 HB2 ARG 20 -12.804 0.363 -6.092 156 HB3 ARG 20 HB3 ARG 20 -12.656 -0.967 -4.974 157 HG2 ARG 20 HG2 ARG 20 -14.930 -0.577 -4.226 158 HG3 ARG 20 HG3 ARG 20 -15.059 0.763 -5.358 159 HD2 ARG 20 HD2 ARG 20 -14.644 -0.677 -7.202 160 HD3 ARG 20 HD3 ARG 20 -14.379 -1.991 -6.098 161 HE ARG 20 HE ARG 20 -16.990 -0.702 -6.054 162 HH11 ARG 20 HH11 ARG 20 -15.071 -3.475 -6.997 163 HH12 ARG 20 HH12 ARG 20 -16.451 -4.486 -7.281 164 HH21 ARG 20 HH21 ARG 20 -18.801 -2.024 -6.436 165 HH22 ARG 20 HH22 ARG 20 -18.570 -3.656 -6.974 166 H GLY 21 H GLY 21 -11.576 0.045 -1.990 167 HA2 GLY 21 HA2 GLY 21 -9.120 -0.878 -2.550 168 HA3 GLY 21 HA3 GLY 21 -8.839 0.858 -2.474 169 H ILE 22 H ILE 22 -7.547 0.535 -0.441 170 HA ILE 22 HA ILE 22 -9.281 -0.264 1.784 171 HB ILE 22 HB ILE 22 -7.611 -1.439 2.783 172 HG12 ILE 22 HG12 ILE 22 -5.627 0.171 1.216 173 HG13 ILE 22 HG13 ILE 22 -6.111 0.508 2.845 174 HG21 ILE 22 HG21 ILE 22 -6.536 -2.832 1.174 175 HG22 ILE 22 HG22 ILE 22 -6.649 -1.584 -0.068 176 HG23 ILE 22 HG23 ILE 22 -8.110 -2.381 0.518 177 HD11 ILE 22 HD11 ILE 22 -4.659 -1.906 1.860 178 HD12 ILE 22 HD12 ILE 22 -5.276 -1.704 3.509 179 HD13 ILE 22 HD13 ILE 22 -4.025 -0.618 2.891 180 H HIS 23 H HIS 23 -7.965 0.386 3.862 181 HA HIS 23 HA HIS 23 -7.138 3.169 3.837 182 HB2 HIS 23 HB2 HIS 23 -9.523 2.257 5.475 183 HB3 HIS 23 HB3 HIS 23 -8.822 3.855 5.477 184 HD1 HIS 23 HD1 HIS 23 -9.529 5.467 3.615 185 HD2 HIS 23 HD2 HIS 23 -11.065 1.639 3.259 186 HE1 HIS 23 HE1 HIS 23 -11.297 5.619 1.832 187 HE2 HIS 23 HE2 HIS 23 -12.337 3.323 1.757 188 H LEU 24 H LEU 24 -5.204 2.791 4.906 189 HA LEU 24 HA LEU 24 -5.065 0.913 7.087 190 HB2 LEU 24 HB2 LEU 24 -3.155 2.673 5.652 191 HB3 LEU 24 HB3 LEU 24 -2.769 2.265 7.274 192 HG LEU 24 HG LEU 24 -1.841 0.375 6.618 193 HD11 LEU 24 HD11 LEU 24 -4.403 -0.309 5.237 194 HD12 LEU 24 HD12 LEU 24 -3.921 -0.757 6.877 195 HD13 LEU 24 HD13 LEU 24 -3.035 -1.397 5.492 196 HD21 LEU 24 HD21 LEU 24 -1.429 -0.021 4.308 197 HD22 LEU 24 HD22 LEU 24 -1.280 1.693 4.687 198 HD23 LEU 24 HD23 LEU 24 -2.719 1.096 3.858 199 H TYR 25 H TYR 25 -4.090 4.279 6.823 200 HA TYR 25 HA TYR 25 -4.767 4.663 9.611 201 HB2 TYR 25 HB2 TYR 25 -3.083 6.401 7.857 202 HB3 TYR 25 HB3 TYR 25 -3.294 6.597 9.582 203 HD1 TYR 25 HD1 TYR 25 -3.125 3.181 8.750 204 HD2 TYR 25 HD2 TYR 25 -0.618 6.563 9.349 205 HE1 TYR 25 HE1 TYR 25 -1.232 1.688 9.053 206 HE2 TYR 25 HE2 TYR 25 1.318 5.066 9.687 207 HH TYR 25 HH TYR 25 1.673 2.717 10.433 208 H THR 26 H THR 26 -4.538 7.523 7.850 209 HA THR 26 HA THR 26 -7.462 7.664 7.629 210 HB THR 26 HB THR 26 -6.720 9.420 9.027 211 HG1 THR 26 HG1 THR 26 -7.330 10.216 6.399 212 HG21 THR 26 HG21 THR 26 -4.654 10.157 6.965 213 HG22 THR 26 HG22 THR 26 -4.332 9.241 8.438 214 HG23 THR 26 HG23 THR 26 -4.895 10.913 8.541 215 H LYS 27 H LYS 27 -5.322 6.467 5.798 216 HA LYS 27 HA LYS 27 -5.597 8.239 3.467 217 HB2 LYS 27 HB2 LYS 27 -3.672 6.021 3.330 218 HB3 LYS 27 HB3 LYS 27 -3.545 7.651 2.709 219 HG2 LYS 27 HG2 LYS 27 -3.125 6.763 5.525 220 HG3 LYS 27 HG3 LYS 27 -1.893 7.272 4.385 221 HD2 LYS 27 HD2 LYS 27 -4.109 9.012 5.410 222 HD3 LYS 27 HD3 LYS 27 -2.453 9.023 6.018 223 HE2 LYS 27 HE2 LYS 27 -2.683 9.283 3.108 224 HE3 LYS 27 HE3 LYS 27 -3.359 10.636 4.014 225 HZ1 LYS 27 HZ1 LYS 27 -0.576 9.613 4.024 226 HZ2 LYS 27 HZ2 LYS 27 -1.142 10.629 5.250 227 HZ3 LYS 27 HZ3 LYS 27 -1.115 11.170 3.648 228 H PHE 28 H PHE 28 -5.040 6.763 1.468 229 HA PHE 28 HA PHE 28 -6.699 4.383 1.429 230 HB2 PHE 28 HB2 PHE 28 -8.355 6.077 0.986 231 HB3 PHE 28 HB3 PHE 28 -7.318 6.852 -0.202 232 HD1 PHE 28 HD1 PHE 28 -7.111 6.021 -2.410 233 HD2 PHE 28 HD2 PHE 28 -9.479 3.948 0.436 234 HE1 PHE 28 HE1 PHE 28 -8.059 4.655 -4.216 235 HE2 PHE 28 HE2 PHE 28 -10.444 2.575 -1.363 236 HZ PHE 28 HZ PHE 28 -9.721 2.915 -3.708 237 H ILE 29 H ILE 29 -5.486 2.912 0.424 238 HA ILE 29 HA ILE 29 -4.058 3.689 -2.038 239 HB ILE 29 HB ILE 29 -3.983 1.048 -0.535 240 HG12 ILE 29 HG12 ILE 29 -1.451 1.759 -0.444 241 HG13 ILE 29 HG13 ILE 29 -2.106 3.380 -0.626 242 HG21 ILE 29 HG21 ILE 29 -2.449 1.912 -2.972 243 HG22 ILE 29 HG22 ILE 29 -3.776 0.747 -2.943 244 HG23 ILE 29 HG23 ILE 29 -2.258 0.383 -2.116 245 HD11 ILE 29 HD11 ILE 29 -3.002 1.466 1.502 246 HD12 ILE 29 HD12 ILE 29 -3.332 3.197 1.390 247 HD13 ILE 29 HD13 ILE 29 -1.695 2.625 1.711 248 H CYS 30 H CYS 30 -5.013 3.146 -3.988 249 HA CYS 30 HA CYS 30 -7.627 2.055 -3.926 250 HB2 CYS 30 HB2 CYS 30 -7.730 2.292 -6.232 251 HB3 CYS 30 HB3 CYS 30 -6.585 3.529 -5.780 252 H LEU 31 H LEU 31 -8.326 0.124 -4.815 253 HA LEU 31 HA LEU 31 -7.309 -1.958 -3.392 254 HB2 LEU 31 HB2 LEU 31 -9.068 -3.158 -4.269 255 HB3 LEU 31 HB3 LEU 31 -9.613 -1.520 -4.369 256 HG LEU 31 HG LEU 31 -8.630 -1.711 -6.827 257 HD11 LEU 31 HD11 LEU 31 -9.103 -3.908 -7.791 258 HD12 LEU 31 HD12 LEU 31 -9.467 -4.542 -6.186 259 HD13 LEU 31 HD13 LEU 31 -7.831 -4.010 -6.573 260 HD21 LEU 31 HD21 LEU 31 -11.308 -2.761 -5.928 261 HD22 LEU 31 HD22 LEU 31 -10.903 -2.288 -7.577 262 HD23 LEU 31 HD23 LEU 31 -10.898 -1.085 -6.288 263 H ASP 32 H ASP 32 -6.263 -0.865 -6.424 264 HA ASP 32 HA ASP 32 -5.330 -3.459 -7.352 265 HB2 ASP 32 HB2 ASP 32 -6.202 -1.433 -8.780 266 HB3 ASP 32 HB3 ASP 32 -4.528 -0.931 -8.652 267 H CYS 33 H CYS 33 -4.074 -0.421 -6.252 268 HA CYS 33 HA CYS 33 -1.339 -1.059 -6.355 269 HB2 CYS 33 HB2 CYS 33 -2.790 1.079 -4.802 270 HB3 CYS 33 HB3 CYS 33 -1.057 0.876 -4.814 271 H GLU 34 H GLU 34 -3.883 -1.416 -4.080 272 HA GLU 34 HA GLU 34 -2.518 -2.123 -1.818 273 HB2 GLU 34 HB2 GLU 34 -4.941 -1.848 -1.900 274 HB3 GLU 34 HB3 GLU 34 -5.096 -3.244 -2.939 275 HG2 GLU 34 HG2 GLU 34 -3.781 -3.915 -0.453 276 HG3 GLU 34 HG3 GLU 34 -5.348 -3.177 -0.192 277 H ARG 35 H ARG 35 -3.405 -4.111 -4.568 278 HA ARG 35 HA ARG 35 -1.960 -6.399 -3.602 279 HB2 ARG 35 HB2 ARG 35 -2.994 -5.849 -6.388 280 HB3 ARG 35 HB3 ARG 35 -2.508 -7.416 -5.747 281 HG2 ARG 35 HG2 ARG 35 -4.329 -7.425 -4.206 282 HG3 ARG 35 HG3 ARG 35 -4.741 -5.772 -4.617 283 HD2 ARG 35 HD2 ARG 35 -5.275 -6.483 -6.899 284 HD3 ARG 35 HD3 ARG 35 -4.931 -8.137 -6.414 285 HE ARG 35 HE ARG 35 -6.771 -7.155 -4.607 286 HH11 ARG 35 HH11 ARG 35 -6.677 -7.783 -8.048 287 HH12 ARG 35 HH12 ARG 35 -8.372 -8.114 -8.157 288 HH21 ARG 35 HH21 ARG 35 -8.985 -7.582 -4.742 289 HH22 ARG 35 HH22 ARG 35 -9.696 -8.020 -6.260 290 H LYS 36 H LYS 36 -1.171 -3.677 -5.552 291 HA LYS 36 HA LYS 36 0.863 -4.680 -7.158 292 HB2 LYS 36 HB2 LYS 36 0.321 -1.976 -5.975 293 HB3 LYS 36 HB3 LYS 36 1.617 -2.268 -7.094 294 HG2 LYS 36 HG2 LYS 36 -0.189 -3.030 -8.701 295 HG3 LYS 36 HG3 LYS 36 -1.327 -2.389 -7.594 296 HD2 LYS 36 HD2 LYS 36 -0.682 -0.346 -7.995 297 HD3 LYS 36 HD3 LYS 36 0.943 -0.744 -8.472 298 HE2 LYS 36 HE2 LYS 36 -0.171 -0.036 -10.390 299 HE3 LYS 36 HE3 LYS 36 -0.095 -1.778 -10.519 300 HZ1 LYS 36 HZ1 LYS 36 -2.387 -1.910 -9.838 301 HZ2 LYS 36 HZ2 LYS 36 -2.259 -0.855 -11.154 302 HZ3 LYS 36 HZ3 LYS 36 -2.454 -0.233 -9.595 303 H VAL 37 H VAL 37 0.693 -3.387 -4.006 304 HA VAL 37 HA VAL 37 3.294 -2.740 -3.520 305 HB VAL 37 HB VAL 37 2.669 -2.888 -1.107 306 HG11 VAL 37 HG11 VAL 37 0.330 -1.563 -2.332 307 HG12 VAL 37 HG12 VAL 37 1.903 -1.064 -2.971 308 HG13 VAL 37 HG13 VAL 37 1.560 -0.901 -1.243 309 HG21 VAL 37 HG21 VAL 37 0.434 -4.379 -2.264 310 HG22 VAL 37 HG22 VAL 37 0.008 -3.199 -1.021 311 HG23 VAL 37 HG23 VAL 37 1.173 -4.479 -0.661 312 H ILE 38 H ILE 38 1.655 -5.721 -2.626 313 HA ILE 38 HA ILE 38 3.882 -6.982 -1.365 314 HB ILE 38 HB ILE 38 1.494 -8.357 -2.616 315 HG12 ILE 38 HG12 ILE 38 0.945 -6.357 -1.207 316 HG13 ILE 38 HG13 ILE 38 0.237 -7.889 -0.824 317 HG21 ILE 38 HG21 ILE 38 3.304 -9.026 -0.329 318 HG22 ILE 38 HG22 ILE 38 2.943 -10.001 -1.758 319 HG23 ILE 38 HG23 ILE 38 1.704 -9.740 -0.511 320 HD11 ILE 38 HD11 ILE 38 1.003 -6.591 1.175 321 HD12 ILE 38 HD12 ILE 38 2.658 -6.790 0.589 322 HD13 ILE 38 HD13 ILE 38 1.710 -8.204 1.050 323 H SER 39 H SER 39 2.446 -6.853 -4.475 324 HA SER 39 HA SER 39 3.745 -9.038 -5.617 325 HB2 SER 39 HB2 SER 39 1.754 -7.911 -6.598 326 HB3 SER 39 HB3 SER 39 2.779 -6.546 -7.034 327 HG SER 39 HG SER 39 3.754 -8.962 -7.888 328 H THR 40 H THR 40 4.758 -5.870 -4.857 329 HA THR 40 HA THR 40 6.877 -5.662 -6.792 330 HB THR 40 HB THR 40 5.967 -3.929 -4.498 331 HG1 THR 40 HG1 THR 40 4.505 -3.960 -6.190 332 HG21 THR 40 HG21 THR 40 7.920 -3.145 -6.654 333 HG22 THR 40 HG22 THR 40 8.382 -3.576 -5.007 334 HG23 THR 40 HG23 THR 40 7.357 -2.167 -5.294 335 H SER 41 H SER 41 6.912 -5.483 -3.198 336 HA SER 41 HA SER 41 9.792 -5.651 -3.357 337 HB2 SER 41 HB2 SER 41 7.949 -4.548 -1.385 338 HB3 SER 41 HB3 SER 41 9.580 -4.955 -0.879 339 HG SER 41 HG SER 41 10.077 -3.093 -1.717 340 H THR 42 H THR 42 7.579 -8.048 -2.791 341 HA THR 42 HA THR 42 8.335 -8.879 -0.186 342 HB THR 42 HB THR 42 7.085 -11.019 -0.819 343 HG1 THR 42 HG1 THR 42 5.879 -9.550 -2.860 344 HG21 THR 42 HG21 THR 42 6.179 -9.171 0.525 345 HG22 THR 42 HG22 THR 42 4.955 -9.918 -0.499 346 HG23 THR 42 HG23 THR 42 5.658 -8.367 -0.955 347 H SER 43 H SER 43 10.722 -8.813 -1.688 348 HA SER 43 HA SER 43 11.545 -11.623 -1.477 349 HB2 SER 43 HB2 SER 43 13.244 -9.218 -2.202 350 HB3 SER 43 HB3 SER 43 13.643 -10.919 -2.439 351 HG SER 43 HG SER 43 11.562 -10.836 -3.771 352 H ASP 44 H ASP 44 10.731 -11.141 0.845 353 HA ASP 44 HA ASP 44 11.959 -9.192 2.454 354 HB2 ASP 44 HB2 ASP 44 9.776 -10.022 3.021 355 HB3 ASP 44 HB3 ASP 44 10.392 -11.661 3.198 356 HA PRO 45 HA PRO 45 15.606 -11.519 3.647 357 HB2 PRO 45 HB2 PRO 45 17.073 -9.393 4.304 358 HB3 PRO 45 HB3 PRO 45 16.726 -9.749 2.618 359 HG2 PRO 45 HG2 PRO 45 15.538 -7.733 4.436 360 HG3 PRO 45 HG3 PRO 45 15.944 -7.625 2.728 361 HD2 PRO 45 HD2 PRO 45 13.401 -8.135 3.780 362 HD3 PRO 45 HD3 PRO 45 13.897 -8.394 2.096 363 H ASP 46 H ASP 46 16.858 -11.566 5.718 364 HA ASP 46 HA ASP 46 15.172 -10.746 7.988 365 HB2 ASP 46 HB2 ASP 46 16.932 -13.195 7.807 366 HB3 ASP 46 HB3 ASP 46 15.936 -12.735 9.172 367 H TYR 47 H TYR 47 16.674 -10.994 10.088 368 HA TYR 47 HA TYR 47 19.174 -9.585 9.524 369 HB2 TYR 47 HB2 TYR 47 18.694 -8.108 11.439 370 HB3 TYR 47 HB3 TYR 47 17.520 -7.919 10.149 371 HD1 TYR 47 HD1 TYR 47 17.900 -8.149 13.593 372 HD2 TYR 47 HD2 TYR 47 15.378 -9.545 10.460 373 HE1 TYR 47 HE1 TYR 47 16.091 -8.508 15.215 374 HE2 TYR 47 HE2 TYR 47 13.562 -9.899 12.080 375 HH TYR 47 HH TYR 47 13.322 -10.305 14.516 376 H ALA 48 H ALA 48 20.869 -10.083 10.819 377 HA ALA 48 HA ALA 48 20.397 -12.019 12.983 378 HB1 ALA 48 HB1 ALA 48 22.624 -12.128 10.950 379 HB2 ALA 48 HB2 ALA 48 21.233 -13.208 11.019 380 HB3 ALA 48 HB3 ALA 48 22.422 -13.218 12.321 381 H1 SER 0 H1 SER 0 -2.954 17.469 9.134 382 H2 SER 0 H2 SER 0 -2.932 15.998 8.300 383 H3 SER 0 H3 SER 0 -3.245 17.437 7.470 384 HA SER 0 HA SER 0 -1.041 18.232 7.902 385 HB2 SER 0 HB2 SER 0 -0.606 15.524 9.185 386 HB3 SER 0 HB3 SER 0 0.587 16.812 9.020 387 HG SER 0 HG SER 0 -0.137 17.509 10.859 388 H MET 1 H MET 1 0.437 17.950 6.253 389 HA MET 1 HA MET 1 0.148 15.536 4.595 390 HB2 MET 1 HB2 MET 1 0.300 18.386 3.589 391 HB3 MET 1 HB3 MET 1 0.349 16.954 2.574 392 HG2 MET 1 HG2 MET 1 -1.908 16.357 3.345 393 HG3 MET 1 HG3 MET 1 -1.953 17.837 4.299 394 HE1 MET 1 HE1 MET 1 -0.508 17.180 0.672 395 HE2 MET 1 HE2 MET 1 -1.899 17.644 -0.307 396 HE3 MET 1 HE3 MET 1 -1.997 16.241 0.756 397 H ASP 2 H ASP 2 2.025 14.886 3.506 398 HA ASP 2 HA ASP 2 4.461 15.833 4.796 399 HB2 ASP 2 HB2 ASP 2 5.499 13.826 4.048 400 HB3 ASP 2 HB3 ASP 2 3.890 13.369 4.595 401 H GLU 3 H GLU 3 6.375 16.303 3.595 402 HA GLU 3 HA GLU 3 6.347 16.612 0.778 403 HB2 GLU 3 HB2 GLU 3 6.665 19.089 0.766 404 HB3 GLU 3 HB3 GLU 3 5.034 18.565 1.166 405 HG2 GLU 3 HG2 GLU 3 5.513 18.889 3.522 406 HG3 GLU 3 HG3 GLU 3 7.138 19.440 3.126 407 H THR 4 H THR 4 8.378 17.435 -0.051 408 HA THR 4 HA THR 4 10.638 17.574 -0.122 409 HB THR 4 HB THR 4 10.549 18.293 2.811 410 HG1 THR 4 HG1 THR 4 9.425 19.570 0.747 411 HG21 THR 4 HG21 THR 4 12.783 17.851 1.926 412 HG22 THR 4 HG22 THR 4 12.580 19.573 2.251 413 HG23 THR 4 HG23 THR 4 12.490 18.971 0.596 414 H VAL 5 H VAL 5 10.815 15.336 -0.488 415 HA VAL 5 HA VAL 5 11.349 13.583 1.766 416 HB VAL 5 HB VAL 5 11.376 13.062 -1.213 417 HG11 VAL 5 HG11 VAL 5 11.713 11.144 1.088 418 HG12 VAL 5 HG12 VAL 5 12.922 11.555 -0.127 419 HG13 VAL 5 HG13 VAL 5 11.468 10.674 -0.595 420 HG21 VAL 5 HG21 VAL 5 9.156 13.507 -0.305 421 HG22 VAL 5 HG22 VAL 5 9.403 12.270 0.927 422 HG23 VAL 5 HG23 VAL 5 9.318 11.816 -0.775 423 H LYS 6 H LYS 6 13.318 13.180 2.553 424 HA LYS 6 HA LYS 6 15.639 13.753 0.854 425 HB2 LYS 6 HB2 LYS 6 15.319 15.574 2.491 426 HB3 LYS 6 HB3 LYS 6 15.423 14.391 3.780 427 HG2 LYS 6 HG2 LYS 6 17.525 15.562 3.528 428 HG3 LYS 6 HG3 LYS 6 17.711 13.856 3.120 429 HD2 LYS 6 HD2 LYS 6 17.511 14.433 0.736 430 HD3 LYS 6 HD3 LYS 6 17.396 16.135 1.168 431 HE2 LYS 6 HE2 LYS 6 19.610 15.998 2.186 432 HE3 LYS 6 HE3 LYS 6 19.723 14.306 1.719 433 HZ1 LYS 6 HZ1 LYS 6 20.887 15.714 0.156 434 HZ2 LYS 6 HZ2 LYS 6 19.482 16.610 -0.139 435 HZ3 LYS 6 HZ3 LYS 6 19.561 14.985 -0.598 436 H LEU 7 H LEU 7 16.453 11.828 0.421 437 HA LEU 7 HA LEU 7 17.498 9.840 0.682 438 HB2 LEU 7 HB2 LEU 7 17.505 10.518 3.585 439 HB3 LEU 7 HB3 LEU 7 18.360 9.171 2.889 440 HG LEU 7 HG LEU 7 18.887 12.077 2.275 441 HD11 LEU 7 HD11 LEU 7 20.451 10.112 3.943 442 HD12 LEU 7 HD12 LEU 7 19.533 11.488 4.555 443 HD13 LEU 7 HD13 LEU 7 20.948 11.755 3.537 444 HD21 LEU 7 HD21 LEU 7 19.386 10.631 0.405 445 HD22 LEU 7 HD22 LEU 7 20.310 9.559 1.452 446 HD23 LEU 7 HD23 LEU 7 20.879 11.200 1.147 447 H ASN 8 H ASN 8 15.631 9.856 3.697 448 HA ASN 8 HA ASN 8 14.453 7.297 3.079 449 HB2 ASN 8 HB2 ASN 8 13.707 9.251 5.269 450 HB3 ASN 8 HB3 ASN 8 13.244 7.567 5.184 451 HD21 ASN 8 HD21 ASN 8 14.621 8.954 7.274 452 HD22 ASN 8 HD22 ASN 8 16.128 8.137 7.482 453 H HIS 9 H HIS 9 12.557 6.961 2.073 454 HA HIS 9 HA HIS 9 11.116 9.276 1.082 455 HB2 HIS 9 HB2 HIS 9 10.969 6.329 0.482 456 HB3 HIS 9 HB3 HIS 9 9.766 7.460 -0.125 457 HD1 HIS 9 HD1 HIS 9 10.248 8.211 -2.418 458 HD2 HIS 9 HD2 HIS 9 13.742 7.356 -0.329 459 HE1 HIS 9 HE1 HIS 9 12.124 8.605 -4.044 460 HE2 HIS 9 HE2 HIS 9 14.227 8.022 -2.784 461 H THR 10 H THR 10 9.174 9.938 1.773 462 HA THR 10 HA THR 10 8.295 9.068 4.322 463 HB THR 10 HB THR 10 6.757 10.802 2.376 464 HG1 THR 10 HG1 THR 10 7.902 12.542 3.450 465 HG21 THR 10 HG21 THR 10 6.801 10.730 5.401 466 HG22 THR 10 HG22 THR 10 5.509 10.103 4.377 467 HG23 THR 10 HG23 THR 10 5.850 11.832 4.407 468 H CYS 11 H CYS 11 6.828 7.625 4.899 469 HA CYS 11 HA CYS 11 5.520 5.957 3.010 470 HB2 CYS 11 HB2 CYS 11 6.061 5.143 5.270 471 HB3 CYS 11 HB3 CYS 11 4.981 6.339 5.970 472 H VAL 12 H VAL 12 3.836 6.565 1.796 473 HA VAL 12 HA VAL 12 2.262 8.836 2.095 474 HB VAL 12 HB VAL 12 0.560 7.635 0.685 475 HG11 VAL 12 HG11 VAL 12 2.346 8.882 -0.375 476 HG12 VAL 12 HG12 VAL 12 2.004 7.410 -1.289 477 HG13 VAL 12 HG13 VAL 12 3.422 7.491 -0.243 478 HG21 VAL 12 HG21 VAL 12 0.927 5.384 1.562 479 HG22 VAL 12 HG22 VAL 12 2.540 5.368 0.851 480 HG23 VAL 12 HG23 VAL 12 1.118 5.429 -0.190 481 H ILE 13 H ILE 13 2.278 6.042 3.951 482 HA ILE 13 HA ILE 13 -0.492 6.247 4.814 483 HB ILE 13 HB ILE 13 1.499 4.250 5.784 484 HG12 ILE 13 HG12 ILE 13 1.565 4.212 3.341 485 HG13 ILE 13 HG13 ILE 13 0.810 2.757 3.986 486 HG21 ILE 13 HG21 ILE 13 -0.455 2.884 6.152 487 HG22 ILE 13 HG22 ILE 13 -1.479 4.128 5.433 488 HG23 ILE 13 HG23 ILE 13 -0.638 4.446 6.952 489 HD11 ILE 13 HD11 ILE 13 -0.713 5.136 3.010 490 HD12 ILE 13 HD12 ILE 13 -1.335 3.538 3.432 491 HD13 ILE 13 HD13 ILE 13 -0.298 3.736 2.018 492 H CYS 14 H CYS 14 2.696 5.887 6.273 493 HA CYS 14 HA CYS 14 1.755 6.649 8.870 494 HB2 CYS 14 HB2 CYS 14 4.509 6.145 7.841 495 HB3 CYS 14 HB3 CYS 14 4.145 6.417 9.519 496 H ASP 15 H ASP 15 2.904 8.322 6.164 497 HA ASP 15 HA ASP 15 3.709 10.384 5.739 498 HB2 ASP 15 HB2 ASP 15 2.268 10.911 8.284 499 HB3 ASP 15 HB3 ASP 15 3.055 12.198 7.396 500 H GLN 16 H GLN 16 5.447 8.559 6.897 501 HA GLN 16 HA GLN 16 7.269 10.276 8.421 502 HB2 GLN 16 HB2 GLN 16 6.861 7.306 8.804 503 HB3 GLN 16 HB3 GLN 16 7.999 8.311 9.678 504 HG2 GLN 16 HG2 GLN 16 5.025 8.530 9.781 505 HG3 GLN 16 HG3 GLN 16 6.047 7.822 11.016 506 HE21 GLN 16 HE21 GLN 16 4.182 10.023 11.182 507 HE22 GLN 16 HE22 GLN 16 5.096 11.365 11.760 508 H GLU 17 H GLU 17 9.397 10.157 7.803 509 HA GLU 17 HA GLU 17 9.925 9.218 5.168 510 HB2 GLU 17 HB2 GLU 17 11.699 10.565 7.194 511 HB3 GLU 17 HB3 GLU 17 12.164 10.210 5.539 512 HG2 GLU 17 HG2 GLU 17 10.590 11.708 4.659 513 HG3 GLU 17 HG3 GLU 17 9.773 11.868 6.211 514 H LYS 18 H LYS 18 10.251 7.252 4.843 515 HA LYS 18 HA LYS 18 11.896 5.625 6.671 516 HB2 LYS 18 HB2 LYS 18 9.942 4.315 4.911 517 HB3 LYS 18 HB3 LYS 18 10.524 3.819 6.468 518 HG2 LYS 18 HG2 LYS 18 8.481 5.937 5.914 519 HG3 LYS 18 HG3 LYS 18 8.201 4.347 6.623 520 HD2 LYS 18 HD2 LYS 18 10.129 6.151 7.943 521 HD3 LYS 18 HD3 LYS 18 8.433 6.516 8.087 522 HE2 LYS 18 HE2 LYS 18 9.167 5.227 9.973 523 HE3 LYS 18 HE3 LYS 18 8.070 4.301 8.980 524 HZ1 LYS 18 HZ1 LYS 18 9.933 3.103 8.048 525 HZ2 LYS 18 HZ2 LYS 18 9.960 2.982 9.733 526 HZ3 LYS 18 HZ3 LYS 18 11.019 4.040 8.945 527 H ASN 19 H ASN 19 13.509 4.387 5.770 528 HA ASN 19 HA ASN 19 13.965 4.856 2.919 529 HB2 ASN 19 HB2 ASN 19 16.232 4.263 3.270 530 HB3 ASN 19 HB3 ASN 19 15.778 5.254 4.647 531 HD21 ASN 19 HD21 ASN 19 15.563 4.319 6.674 532 HD22 ASN 19 HD22 ASN 19 16.225 2.731 7.033 533 H ARG 20 H ARG 20 12.502 2.573 4.814 534 HA ARG 20 HA ARG 20 13.090 0.461 2.858 535 HB2 ARG 20 HB2 ARG 20 12.757 0.250 5.828 536 HB3 ARG 20 HB3 ARG 20 12.559 -1.142 4.796 537 HG2 ARG 20 HG2 ARG 20 14.816 -0.816 3.946 538 HG3 ARG 20 HG3 ARG 20 15.022 0.515 5.076 539 HD2 ARG 20 HD2 ARG 20 14.502 -0.984 6.855 540 HD3 ARG 20 HD3 ARG 20 14.309 -2.308 5.753 541 HE ARG 20 HE ARG 20 16.899 -0.967 5.785 542 HH11 ARG 20 HH11 ARG 20 14.950 -3.720 6.716 543 HH12 ARG 20 HH12 ARG 20 16.315 -4.751 7.003 544 HH21 ARG 20 HH21 ARG 20 18.698 -2.328 6.152 545 HH22 ARG 20 HH22 ARG 20 18.447 -3.960 6.680 546 H GLY 21 H GLY 21 11.491 -0.139 1.709 547 HA2 GLY 21 HA2 GLY 21 9.022 -1.030 2.289 548 HA3 GLY 21 HA3 GLY 21 8.772 0.711 2.213 549 H ILE 22 H ILE 22 7.466 0.407 0.185 550 HA ILE 22 HA ILE 22 9.176 -0.428 -2.046 551 HB ILE 22 HB ILE 22 7.480 -1.575 -3.034 552 HG12 ILE 22 HG12 ILE 22 5.532 0.072 -1.462 553 HG13 ILE 22 HG13 ILE 22 6.016 0.399 -3.093 554 HG21 ILE 22 HG21 ILE 22 6.387 -2.944 -1.417 555 HG22 ILE 22 HG22 ILE 22 6.526 -1.695 -0.179 556 HG23 ILE 22 HG23 ILE 22 7.971 -2.520 -0.767 557 HD11 ILE 22 HD11 ILE 22 4.525 -1.986 -2.100 558 HD12 ILE 22 HD12 ILE 22 5.140 -1.798 -3.750 559 HD13 ILE 22 HD13 ILE 22 3.910 -0.689 -3.131 560 H HIS 23 H HIS 23 7.858 0.241 -4.117 561 HA HIS 23 HA HIS 23 7.083 3.036 -4.098 562 HB2 HIS 23 HB2 HIS 23 9.446 2.081 -5.740 563 HB3 HIS 23 HB3 HIS 23 8.771 3.690 -5.744 564 HD1 HIS 23 HD1 HIS 23 9.513 5.299 -3.889 565 HD2 HIS 23 HD2 HIS 23 10.984 1.445 -3.531 566 HE1 HIS 23 HE1 HIS 23 11.294 5.421 -2.114 567 HE2 HIS 23 HE2 HIS 23 12.287 3.105 -2.035 568 H LEU 24 H LEU 24 5.143 2.694 -5.159 569 HA LEU 24 HA LEU 24 4.960 0.812 -7.335 570 HB2 LEU 24 HB2 LEU 24 3.086 2.611 -5.897 571 HB3 LEU 24 HB3 LEU 24 2.689 2.202 -7.517 572 HG LEU 24 HG LEU 24 1.733 0.329 -6.849 573 HD11 LEU 24 HD11 LEU 24 4.293 -0.389 -5.479 574 HD12 LEU 24 HD12 LEU 24 3.794 -0.835 -7.115 575 HD13 LEU 24 HD13 LEU 24 2.909 -1.460 -5.723 576 HD21 LEU 24 HD21 LEU 24 1.322 -0.055 -4.537 577 HD22 LEU 24 HD22 LEU 24 1.201 1.662 -4.919 578 HD23 LEU 24 HD23 LEU 24 2.633 1.042 -4.095 579 H TYR 25 H TYR 25 4.053 4.198 -7.070 580 HA TYR 25 HA TYR 25 4.721 4.559 -9.865 581 HB2 TYR 25 HB2 TYR 25 3.073 6.332 -8.109 582 HB3 TYR 25 HB3 TYR 25 3.282 6.521 -9.836 583 HD1 TYR 25 HD1 TYR 25 3.056 3.112 -8.993 584 HD2 TYR 25 HD2 TYR 25 0.615 6.532 -9.600 585 HE1 TYR 25 HE1 TYR 25 1.140 1.647 -9.289 586 HE2 TYR 25 HE2 TYR 25 -1.350 5.065 -9.931 587 HH TYR 25 HH TYR 25 -1.758 2.724 -10.655 588 H THR 26 H THR 26 4.550 7.428 -8.113 589 HA THR 26 HA THR 26 7.475 7.521 -7.898 590 HB THR 26 HB THR 26 6.761 9.290 -9.298 591 HG1 THR 26 HG1 THR 26 7.407 10.055 -6.671 592 HG21 THR 26 HG21 THR 26 4.711 10.066 -7.232 593 HG22 THR 26 HG22 THR 26 4.371 9.148 -8.700 594 HG23 THR 26 HG23 THR 26 4.959 10.811 -8.812 595 H LYS 27 H LYS 27 5.323 6.363 -6.060 596 HA LYS 27 HA LYS 27 5.638 8.134 -3.735 597 HB2 LYS 27 HB2 LYS 27 3.671 5.956 -3.584 598 HB3 LYS 27 HB3 LYS 27 3.577 7.588 -2.966 599 HG2 LYS 27 HG2 LYS 27 3.130 6.703 -5.777 600 HG3 LYS 27 HG3 LYS 27 1.915 7.237 -4.632 601 HD2 LYS 27 HD2 LYS 27 4.157 8.933 -5.671 602 HD3 LYS 27 HD3 LYS 27 2.500 8.971 -6.275 603 HE2 LYS 27 HE2 LYS 27 2.741 9.237 -3.366 604 HE3 LYS 27 HE3 LYS 27 3.439 10.574 -4.277 605 HZ1 LYS 27 HZ1 LYS 27 0.634 9.604 -4.270 606 HZ2 LYS 27 HZ2 LYS 27 1.215 10.599 -5.508 607 HZ3 LYS 27 HZ3 LYS 27 1.207 11.155 -3.911 608 H PHE 28 H PHE 28 5.060 6.675 -1.730 609 HA PHE 28 HA PHE 28 6.677 4.267 -1.692 610 HB2 PHE 28 HB2 PHE 28 8.364 5.932 -1.259 611 HB3 PHE 28 HB3 PHE 28 7.348 6.729 -0.067 612 HD1 PHE 28 HD1 PHE 28 7.134 5.904 2.143 613 HD2 PHE 28 HD2 PHE 28 9.455 3.784 -0.709 614 HE1 PHE 28 HE1 PHE 28 8.064 4.527 3.947 615 HE2 PHE 28 HE2 PHE 28 10.403 2.399 1.092 616 HZ PHE 28 HZ PHE 28 9.695 2.757 3.438 617 H ILE 29 H ILE 29 5.445 2.820 -0.678 618 HA ILE 29 HA ILE 29 4.039 3.627 1.789 619 HB ILE 29 HB ILE 29 3.911 0.984 0.292 620 HG12 ILE 29 HG12 ILE 29 1.392 1.737 0.209 621 HG13 ILE 29 HG13 ILE 29 2.072 3.347 0.385 622 HG21 ILE 29 HG21 ILE 29 2.402 1.882 2.735 623 HG22 ILE 29 HG22 ILE 29 3.707 0.694 2.700 624 HG23 ILE 29 HG23 ILE 29 2.181 0.355 1.881 625 HD11 ILE 29 HD11 ILE 29 2.933 1.415 -1.740 626 HD12 ILE 29 HD12 ILE 29 3.289 3.141 -1.632 627 HD13 ILE 29 HD13 ILE 29 1.644 2.592 -1.948 628 H CYS 30 H CYS 30 4.989 3.069 3.736 629 HA CYS 30 HA CYS 30 7.585 1.933 3.666 630 HB2 CYS 30 HB2 CYS 30 7.703 2.172 5.972 631 HB3 CYS 30 HB3 CYS 30 6.579 3.431 5.522 632 H LEU 31 H LEU 31 8.253 -0.007 4.554 633 HA LEU 31 HA LEU 31 7.196 -2.073 3.143 634 HB2 LEU 31 HB2 LEU 31 8.935 -3.303 4.018 635 HB3 LEU 31 HB3 LEU 31 9.510 -1.675 4.110 636 HG LEU 31 HG LEU 31 8.532 -1.843 6.572 637 HD11 LEU 31 HD11 LEU 31 8.971 -4.046 7.537 638 HD12 LEU 31 HD12 LEU 31 9.317 -4.690 5.933 639 HD13 LEU 31 HD13 LEU 31 7.692 -4.129 6.326 640 HD21 LEU 31 HD21 LEU 31 11.188 -2.936 5.662 641 HD22 LEU 31 HD22 LEU 31 10.799 -2.456 7.314 642 HD23 LEU 31 HD23 LEU 31 10.806 -1.254 6.023 643 H ASP 32 H ASP 32 6.176 -0.954 6.173 644 HA ASP 32 HA ASP 32 5.201 -3.530 7.113 645 HB2 ASP 32 HB2 ASP 32 6.115 -1.516 8.534 646 HB3 ASP 32 HB3 ASP 32 4.450 -0.987 8.414 647 H CYS 33 H CYS 33 3.996 -0.472 6.012 648 HA CYS 33 HA CYS 33 1.247 -1.064 6.124 649 HB2 CYS 33 HB2 CYS 33 2.730 1.045 4.561 650 HB3 CYS 33 HB3 CYS 33 0.997 0.870 4.578 651 H GLU 34 H GLU 34 3.783 -1.469 3.841 652 HA GLU 34 HA GLU 34 2.397 -2.158 1.587 653 HB2 GLU 34 HB2 GLU 34 4.825 -1.927 1.660 654 HB3 GLU 34 HB3 GLU 34 4.958 -3.323 2.704 655 HG2 GLU 34 HG2 GLU 34 3.622 -3.978 0.225 656 HG3 GLU 34 HG3 GLU 34 5.202 -3.267 -0.044 657 H ARG 35 H ARG 35 3.259 -4.155 4.339 658 HA ARG 35 HA ARG 35 1.769 -6.420 3.388 659 HB2 ARG 35 HB2 ARG 35 2.818 -5.878 6.172 660 HB3 ARG 35 HB3 ARG 35 2.308 -7.438 5.533 661 HG2 ARG 35 HG2 ARG 35 4.120 -7.474 3.992 662 HG3 ARG 35 HG3 ARG 35 4.562 -5.831 4.394 663 HD2 ARG 35 HD2 ARG 35 5.096 -6.549 6.673 664 HD3 ARG 35 HD3 ARG 35 4.722 -8.197 6.189 665 HE ARG 35 HE ARG 35 6.566 -7.253 4.370 666 HH11 ARG 35 HH11 ARG 35 6.480 -7.861 7.813 667 HH12 ARG 35 HH12 ARG 35 8.171 -8.232 7.913 668 HH21 ARG 35 HH21 ARG 35 8.766 -7.726 4.490 669 HH22 ARG 35 HH22 ARG 35 9.479 -8.168 6.007 670 H LYS 36 H LYS 36 1.036 -3.681 5.334 671 HA LYS 36 HA LYS 36 -1.012 -4.640 6.947 672 HB2 LYS 36 HB2 LYS 36 -0.425 -1.950 5.754 673 HB3 LYS 36 HB3 LYS 36 -1.721 -2.214 6.878 674 HG2 LYS 36 HG2 LYS 36 0.079 -3.007 8.479 675 HG3 LYS 36 HG3 LYS 36 1.222 -2.387 7.367 676 HD2 LYS 36 HD2 LYS 36 0.613 -0.332 7.765 677 HD3 LYS 36 HD3 LYS 36 -1.016 -0.702 8.249 678 HE2 LYS 36 HE2 LYS 36 0.119 -0.007 10.162 679 HE3 LYS 36 HE3 LYS 36 0.012 -1.747 10.297 680 HZ1 LYS 36 HZ1 LYS 36 2.297 -1.924 9.607 681 HZ2 LYS 36 HZ2 LYS 36 2.193 -0.855 10.918 682 HZ3 LYS 36 HZ3 LYS 36 2.390 -0.251 9.354 683 H VAL 37 H VAL 37 -0.829 -3.361 3.791 684 HA VAL 37 HA VAL 37 -3.420 -2.667 3.314 685 HB VAL 37 HB VAL 37 -2.806 -2.833 0.898 686 HG11 VAL 37 HG11 VAL 37 -0.441 -1.547 2.110 687 HG12 VAL 37 HG12 VAL 37 -2.002 -1.017 2.754 688 HG13 VAL 37 HG13 VAL 37 -1.663 -0.866 1.024 689 HG21 VAL 37 HG21 VAL 37 -0.595 -4.361 2.052 690 HG22 VAL 37 HG22 VAL 37 -0.152 -3.192 0.805 691 HG23 VAL 37 HG23 VAL 37 -1.340 -4.451 0.451 692 H ILE 38 H ILE 38 -1.840 -5.679 2.421 693 HA ILE 38 HA ILE 38 -4.093 -6.901 1.172 694 HB ILE 38 HB ILE 38 -1.724 -8.320 2.414 695 HG12 ILE 38 HG12 ILE 38 -1.147 -6.331 0.999 696 HG13 ILE 38 HG13 ILE 38 -0.467 -7.875 0.619 697 HG21 ILE 38 HG21 ILE 38 -3.556 -8.960 0.133 698 HG22 ILE 38 HG22 ILE 38 -3.208 -9.938 1.564 699 HG23 ILE 38 HG23 ILE 38 -1.968 -9.704 0.313 700 HD11 ILE 38 HD11 ILE 38 -1.216 -6.573 -1.383 701 HD12 ILE 38 HD12 ILE 38 -2.872 -6.740 -0.792 702 HD13 ILE 38 HD13 ILE 38 -1.948 -8.173 -1.250 703 H SER 39 H SER 39 -2.641 -6.793 4.278 704 HA SER 39 HA SER 39 -3.979 -8.952 5.428 705 HB2 SER 39 HB2 SER 39 -1.961 -7.859 6.394 706 HB3 SER 39 HB3 SER 39 -2.961 -6.477 6.839 707 HG SER 39 HG SER 39 -3.982 -8.869 7.700 708 H THR 40 H THR 40 -4.934 -5.771 4.661 709 HA THR 40 HA THR 40 -7.038 -5.517 6.607 710 HB THR 40 HB THR 40 -6.110 -3.805 4.302 711 HG1 THR 40 HG1 THR 40 -4.637 -3.854 5.981 712 HG21 THR 40 HG21 THR 40 -8.038 -2.986 6.470 713 HG22 THR 40 HG22 THR 40 -8.516 -3.411 4.827 714 HG23 THR 40 HG23 THR 40 -7.466 -2.018 5.106 715 H SER 41 H SER 41 -7.088 -5.347 3.013 716 HA SER 41 HA SER 41 -9.969 -5.460 3.186 717 HB2 SER 41 HB2 SER 41 -8.113 -4.403 1.201 718 HB3 SER 41 HB3 SER 41 -9.757 -4.772 0.710 719 HG SER 41 HG SER 41 -10.218 -2.910 1.552 720 H THR 42 H THR 42 -7.800 -7.899 2.613 721 HA THR 42 HA THR 42 -8.584 -8.722 0.014 722 HB THR 42 HB THR 42 -7.367 -10.884 0.647 723 HG1 THR 42 HG1 THR 42 -6.132 -9.426 2.680 724 HG21 THR 42 HG21 THR 42 -6.432 -9.058 -0.711 725 HG22 THR 42 HG22 THR 42 -5.218 -9.822 0.312 726 HG23 THR 42 HG23 THR 42 -5.892 -8.256 0.764 727 H SER 43 H SER 43 -10.963 -8.610 1.522 728 HA SER 43 HA SER 43 -11.836 -11.407 1.323 729 HB2 SER 43 HB2 SER 43 -13.490 -8.972 2.054 730 HB3 SER 43 HB3 SER 43 -13.919 -10.666 2.293 731 HG SER 43 HG SER 43 -11.834 -10.622 3.620 732 H ASP 44 H ASP 44 -11.024 -10.939 -1.000 733 HA ASP 44 HA ASP 44 -12.225 -8.977 -2.611 734 HB2 ASP 44 HB2 ASP 44 -10.057 -9.848 -3.178 735 HB3 ASP 44 HB3 ASP 44 -10.702 -11.476 -3.348 736 HA PRO 45 HA PRO 45 -15.920 -11.241 -3.780 737 HB2 PRO 45 HB2 PRO 45 -17.339 -9.090 -4.460 738 HB3 PRO 45 HB3 PRO 45 -16.999 -9.423 -2.793 739 HG2 PRO 45 HG2 PRO 45 -15.808 -7.483 -4.538 740 HG3 PRO 45 HG3 PRO 45 -16.164 -7.339 -2.839 741 HD2 PRO 45 HD2 PRO 45 -13.658 -7.904 -3.952 742 HD3 PRO 45 HD3 PRO 45 -14.144 -8.147 -2.270 743 H ASP 46 H ASP 46 -17.170 -11.284 -5.853 744 HA ASP 46 HA ASP 46 -15.484 -10.490 -8.127 745 HB2 ASP 46 HB2 ASP 46 -17.286 -12.907 -7.931 746 HB3 ASP 46 HB3 ASP 46 -16.290 -12.467 -9.304 747 H TYR 47 H TYR 47 -16.999 -10.714 -10.220 748 HA TYR 47 HA TYR 47 -19.472 -9.258 -9.650 749 HB2 TYR 47 HB2 TYR 47 -18.971 -7.798 -11.573 750 HB3 TYR 47 HB3 TYR 47 -17.791 -7.626 -10.289 751 HD1 TYR 47 HD1 TYR 47 -18.190 -7.861 -13.727 752 HD2 TYR 47 HD2 TYR 47 -15.678 -9.289 -10.601 753 HE1 TYR 47 HE1 TYR 47 -16.393 -8.251 -15.357 754 HE2 TYR 47 HE2 TYR 47 -13.872 -9.677 -12.227 755 HH TYR 47 HH TYR 47 -13.645 -10.084 -14.672 756 H ALA 48 H ALA 48 -21.180 -9.730 -10.939 757 HA ALA 48 HA ALA 48 -20.753 -11.678 -13.100 758 HB1 ALA 48 HB1 ALA 48 -22.972 -11.744 -11.055 759 HB2 ALA 48 HB2 ALA 48 -21.601 -12.851 -11.131 760 HB3 ALA 48 HB3 ALA 48 -22.798 -12.839 -12.426 Start of MODEL 13 1 H1 SER 0 H1 SER 0 -5.953 8.705 15.822 2 H2 SER 0 H2 SER 0 -5.784 7.536 14.616 3 H3 SER 0 H3 SER 0 -7.303 8.198 14.946 4 HA SER 0 HA SER 0 -6.596 10.343 14.189 5 HB2 SER 0 HB2 SER 0 -4.310 10.325 12.959 6 HB3 SER 0 HB3 SER 0 -4.315 10.440 14.718 7 HG SER 0 HG SER 0 -3.037 8.771 14.585 8 H MET 1 H MET 1 -8.411 8.986 13.145 9 HA MET 1 HA MET 1 -7.632 8.380 10.367 10 HB2 MET 1 HB2 MET 1 -9.771 7.008 12.017 11 HB3 MET 1 HB3 MET 1 -9.503 6.739 10.305 12 HG2 MET 1 HG2 MET 1 -8.491 4.931 11.371 13 HG3 MET 1 HG3 MET 1 -7.161 6.000 10.936 14 HE1 MET 1 HE1 MET 1 -9.442 4.638 13.776 15 HE2 MET 1 HE2 MET 1 -9.719 6.368 13.967 16 HE3 MET 1 HE3 MET 1 -8.838 5.475 15.205 17 H ASP 2 H ASP 2 -9.736 8.403 8.961 18 HA ASP 2 HA ASP 2 -11.409 9.593 8.002 19 HB2 ASP 2 HB2 ASP 2 -12.633 8.748 9.990 20 HB3 ASP 2 HB3 ASP 2 -12.209 10.223 10.850 21 H GLU 3 H GLU 3 -9.825 11.088 7.168 22 HA GLU 3 HA GLU 3 -10.038 13.746 8.415 23 HB2 GLU 3 HB2 GLU 3 -7.890 12.704 6.561 24 HB3 GLU 3 HB3 GLU 3 -7.973 14.339 7.199 25 HG2 GLU 3 HG2 GLU 3 -7.810 13.375 9.490 26 HG3 GLU 3 HG3 GLU 3 -7.534 11.800 8.749 27 H THR 4 H THR 4 -10.071 12.004 5.327 28 HA THR 4 HA THR 4 -11.606 14.248 4.198 29 HB THR 4 HB THR 4 -9.616 12.599 2.635 30 HG1 THR 4 HG1 THR 4 -9.283 14.807 4.271 31 HG21 THR 4 HG21 THR 4 -9.865 14.416 0.984 32 HG22 THR 4 HG22 THR 4 -11.088 15.164 2.012 33 HG23 THR 4 HG23 THR 4 -11.390 13.585 1.287 34 H VAL 5 H VAL 5 -13.530 13.671 3.421 35 HA VAL 5 HA VAL 5 -13.865 11.068 2.179 36 HB VAL 5 HB VAL 5 -14.506 10.554 4.438 37 HG11 VAL 5 HG11 VAL 5 -14.929 12.803 5.236 38 HG12 VAL 5 HG12 VAL 5 -16.298 11.748 5.593 39 HG13 VAL 5 HG13 VAL 5 -16.390 12.891 4.254 40 HG21 VAL 5 HG21 VAL 5 -16.843 9.872 4.114 41 HG22 VAL 5 HG22 VAL 5 -15.852 9.531 2.697 42 HG23 VAL 5 HG23 VAL 5 -16.942 10.917 2.697 43 H LYS 6 H LYS 6 -15.066 11.181 0.408 44 HA LYS 6 HA LYS 6 -16.958 13.408 0.091 45 HB2 LYS 6 HB2 LYS 6 -15.073 12.398 -2.017 46 HB3 LYS 6 HB3 LYS 6 -16.298 13.617 -2.266 47 HG2 LYS 6 HG2 LYS 6 -15.145 15.143 -0.871 48 HG3 LYS 6 HG3 LYS 6 -14.009 13.908 -0.343 49 HD2 LYS 6 HD2 LYS 6 -12.925 15.295 -1.981 50 HD3 LYS 6 HD3 LYS 6 -13.229 13.718 -2.695 51 HE2 LYS 6 HE2 LYS 6 -15.225 14.618 -3.801 52 HE3 LYS 6 HE3 LYS 6 -14.863 16.196 -3.115 53 HZ1 LYS 6 HZ1 LYS 6 -13.192 14.685 -5.049 54 HZ2 LYS 6 HZ2 LYS 6 -12.725 16.135 -4.307 55 HZ3 LYS 6 HZ3 LYS 6 -14.054 16.112 -5.348 56 H LEU 7 H LEU 7 -15.924 10.820 -2.037 57 HA LEU 7 HA LEU 7 -18.043 9.045 -1.384 58 HB2 LEU 7 HB2 LEU 7 -19.193 9.014 -3.529 59 HB3 LEU 7 HB3 LEU 7 -19.345 10.585 -2.784 60 HG LEU 7 HG LEU 7 -17.224 10.125 -4.849 61 HD11 LEU 7 HD11 LEU 7 -18.809 10.791 -6.581 62 HD12 LEU 7 HD12 LEU 7 -20.119 10.775 -5.401 63 HD13 LEU 7 HD13 LEU 7 -19.300 9.273 -5.832 64 HD21 LEU 7 HD21 LEU 7 -18.897 12.492 -4.040 65 HD22 LEU 7 HD22 LEU 7 -17.625 12.499 -5.260 66 HD23 LEU 7 HD23 LEU 7 -17.225 12.197 -3.570 67 H ASN 8 H ASN 8 -15.632 10.081 -3.727 68 HA ASN 8 HA ASN 8 -14.591 7.319 -3.781 69 HB2 ASN 8 HB2 ASN 8 -14.013 9.591 -5.702 70 HB3 ASN 8 HB3 ASN 8 -13.379 7.973 -5.833 71 HD21 ASN 8 HD21 ASN 8 -14.877 9.434 -7.766 72 HD22 ASN 8 HD22 ASN 8 -16.309 8.526 -8.080 73 H HIS 9 H HIS 9 -12.845 7.071 -2.490 74 HA HIS 9 HA HIS 9 -11.422 9.398 -1.527 75 HB2 HIS 9 HB2 HIS 9 -11.934 7.186 -0.246 76 HB3 HIS 9 HB3 HIS 9 -10.493 6.592 -1.035 77 HD1 HIS 9 HD1 HIS 9 -11.355 7.751 2.096 78 HD2 HIS 9 HD2 HIS 9 -8.375 8.905 -0.563 79 HE1 HIS 9 HE1 HIS 9 -9.586 8.859 3.493 80 HE2 HIS 9 HE2 HIS 9 -7.857 9.660 1.852 81 H THR 10 H THR 10 -9.354 9.895 -1.962 82 HA THR 10 HA THR 10 -8.520 9.213 -4.636 83 HB THR 10 HB THR 10 -7.160 10.999 -2.590 84 HG1 THR 10 HG1 THR 10 -8.228 12.625 -4.091 85 HG21 THR 10 HG21 THR 10 -5.690 10.299 -4.438 86 HG22 THR 10 HG22 THR 10 -6.056 12.023 -4.502 87 HG23 THR 10 HG23 THR 10 -6.874 10.906 -5.595 88 H CYS 11 H CYS 11 -6.917 7.905 -5.259 89 HA CYS 11 HA CYS 11 -5.781 6.079 -3.411 90 HB2 CYS 11 HB2 CYS 11 -6.173 5.414 -5.737 91 HB3 CYS 11 HB3 CYS 11 -5.017 6.614 -6.283 92 H VAL 12 H VAL 12 -4.280 6.499 -2.068 93 HA VAL 12 HA VAL 12 -2.468 8.503 -1.937 94 HB VAL 12 HB VAL 12 -3.213 6.422 -0.476 95 HG11 VAL 12 HG11 VAL 12 -2.046 4.729 -1.664 96 HG12 VAL 12 HG12 VAL 12 -1.382 4.908 -0.041 97 HG13 VAL 12 HG13 VAL 12 -0.514 5.573 -1.428 98 HG21 VAL 12 HG21 VAL 12 -2.382 8.218 0.549 99 HG22 VAL 12 HG22 VAL 12 -0.836 8.123 -0.283 100 HG23 VAL 12 HG23 VAL 12 -1.233 6.952 0.974 101 H ILE 13 H ILE 13 -2.545 5.965 -4.192 102 HA ILE 13 HA ILE 13 0.299 6.184 -4.836 103 HB ILE 13 HB ILE 13 -1.629 4.193 -5.964 104 HG12 ILE 13 HG12 ILE 13 -1.569 4.086 -3.458 105 HG13 ILE 13 HG13 ILE 13 -1.035 2.626 -4.272 106 HG21 ILE 13 HG21 ILE 13 1.356 4.200 -5.677 107 HG22 ILE 13 HG22 ILE 13 0.444 4.458 -7.165 108 HG23 ILE 13 HG23 ILE 13 0.388 2.889 -6.357 109 HD11 ILE 13 HD11 ILE 13 1.219 3.130 -3.840 110 HD12 ILE 13 HD12 ILE 13 0.316 3.314 -2.333 111 HD13 ILE 13 HD13 ILE 13 0.804 4.737 -3.252 112 H CYS 14 H CYS 14 -2.824 5.920 -6.486 113 HA CYS 14 HA CYS 14 -1.745 6.756 -9.005 114 HB2 CYS 14 HB2 CYS 14 -4.579 6.362 -8.147 115 HB3 CYS 14 HB3 CYS 14 -4.092 6.654 -9.788 116 H ASP 15 H ASP 15 -3.089 8.354 -6.310 117 HA ASP 15 HA ASP 15 -3.855 10.426 -5.864 118 HB2 ASP 15 HB2 ASP 15 -2.186 10.999 -8.287 119 HB3 ASP 15 HB3 ASP 15 -3.060 12.262 -7.435 120 H GLN 16 H GLN 16 -5.603 8.770 -7.095 121 HA GLN 16 HA GLN 16 -7.285 10.560 -8.674 122 HB2 GLN 16 HB2 GLN 16 -6.872 7.611 -9.183 123 HB3 GLN 16 HB3 GLN 16 -8.030 8.629 -10.015 124 HG2 GLN 16 HG2 GLN 16 -5.062 8.918 -10.094 125 HG3 GLN 16 HG3 GLN 16 -6.065 8.254 -11.366 126 HE21 GLN 16 HE21 GLN 16 -4.247 10.479 -11.460 127 HE22 GLN 16 HE22 GLN 16 -5.181 11.845 -11.944 128 H GLU 17 H GLU 17 -9.529 10.216 -8.381 129 HA GLU 17 HA GLU 17 -10.192 9.402 -5.711 130 HB2 GLU 17 HB2 GLU 17 -11.845 10.695 -7.881 131 HB3 GLU 17 HB3 GLU 17 -12.410 10.377 -6.247 132 HG2 GLU 17 HG2 GLU 17 -10.800 11.878 -5.329 133 HG3 GLU 17 HG3 GLU 17 -10.038 12.072 -6.902 134 H LYS 18 H LYS 18 -10.587 7.432 -5.351 135 HA LYS 18 HA LYS 18 -12.103 5.769 -7.257 136 HB2 LYS 18 HB2 LYS 18 -10.204 4.438 -5.470 137 HB3 LYS 18 HB3 LYS 18 -10.654 4.038 -7.098 138 HG2 LYS 18 HG2 LYS 18 -8.767 6.224 -6.298 139 HG3 LYS 18 HG3 LYS 18 -8.315 4.653 -6.956 140 HD2 LYS 18 HD2 LYS 18 -10.193 6.358 -8.494 141 HD3 LYS 18 HD3 LYS 18 -8.499 6.780 -8.474 142 HE2 LYS 18 HE2 LYS 18 -9.006 5.448 -10.404 143 HE3 LYS 18 HE3 LYS 18 -7.981 4.566 -9.295 144 HZ1 LYS 18 HZ1 LYS 18 -9.766 3.192 -10.215 145 HZ2 LYS 18 HZ2 LYS 18 -10.911 4.218 -9.515 146 HZ3 LYS 18 HZ3 LYS 18 -9.874 3.313 -8.534 147 H ASN 19 H ASN 19 -13.635 4.370 -6.356 148 HA ASN 19 HA ASN 19 -14.255 5.052 -3.577 149 HB2 ASN 19 HB2 ASN 19 -16.506 4.353 -3.998 150 HB3 ASN 19 HB3 ASN 19 -16.004 5.406 -5.309 151 HD21 ASN 19 HD21 ASN 19 -15.718 4.585 -7.354 152 HD22 ASN 19 HD22 ASN 19 -16.308 2.996 -7.816 153 H ARG 20 H ARG 20 -12.877 2.542 -5.347 154 HA ARG 20 HA ARG 20 -13.396 0.707 -3.110 155 HB2 ARG 20 HB2 ARG 20 -13.071 0.002 -6.017 156 HB3 ARG 20 HB3 ARG 20 -13.002 -1.166 -4.730 157 HG2 ARG 20 HG2 ARG 20 -15.278 -0.636 -4.106 158 HG3 ARG 20 HG3 ARG 20 -15.341 0.578 -5.376 159 HD2 ARG 20 HD2 ARG 20 -14.923 -1.067 -7.048 160 HD3 ARG 20 HD3 ARG 20 -14.752 -2.264 -5.801 161 HE ARG 20 HE ARG 20 -17.305 -1.002 -5.699 162 HH11 ARG 20 HH11 ARG 20 -15.483 -3.482 -7.360 163 HH12 ARG 20 HH12 ARG 20 -16.892 -4.354 -7.879 164 HH21 ARG 20 HH21 ARG 20 -19.168 -2.143 -6.394 165 HH22 ARG 20 HH22 ARG 20 -18.983 -3.589 -7.333 166 H GLY 21 H GLY 21 -11.760 -0.242 -2.157 167 HA2 GLY 21 HA2 GLY 21 -9.282 -0.949 -2.789 168 HA3 GLY 21 HA3 GLY 21 -9.098 0.792 -2.694 169 H ILE 22 H ILE 22 -7.669 0.438 -0.761 170 HA ILE 22 HA ILE 22 -9.266 -0.287 1.600 171 HB ILE 22 HB ILE 22 -7.507 -1.402 2.574 172 HG12 ILE 22 HG12 ILE 22 -5.691 0.058 0.687 173 HG13 ILE 22 HG13 ILE 22 -5.933 0.440 2.357 174 HG21 ILE 22 HG21 ILE 22 -6.612 -2.952 0.978 175 HG22 ILE 22 HG22 ILE 22 -6.906 -1.822 -0.346 176 HG23 ILE 22 HG23 ILE 22 -8.266 -2.549 0.509 177 HD11 ILE 22 HD11 ILE 22 -3.863 -0.724 2.092 178 HD12 ILE 22 HD12 ILE 22 -4.682 -2.049 1.266 179 HD13 ILE 22 HD13 ILE 22 -5.005 -1.739 2.975 180 H HIS 23 H HIS 23 -7.689 0.469 3.557 181 HA HIS 23 HA HIS 23 -6.871 3.186 3.275 182 HB2 HIS 23 HB2 HIS 23 -8.629 4.098 4.830 183 HB3 HIS 23 HB3 HIS 23 -9.226 3.648 3.249 184 HD1 HIS 23 HD1 HIS 23 -9.454 2.733 6.869 185 HD2 HIS 23 HD2 HIS 23 -11.015 1.548 3.227 186 HE1 HIS 23 HE1 HIS 23 -11.375 1.212 7.432 187 HE2 HIS 23 HE2 HIS 23 -12.205 0.374 5.205 188 H LEU 24 H LEU 24 -5.074 3.083 4.463 189 HA LEU 24 HA LEU 24 -5.208 1.910 7.125 190 HB2 LEU 24 HB2 LEU 24 -2.822 2.666 5.440 191 HB3 LEU 24 HB3 LEU 24 -2.791 1.953 6.999 192 HG LEU 24 HG LEU 24 -4.029 0.523 4.684 193 HD11 LEU 24 HD11 LEU 24 -1.162 0.516 5.612 194 HD12 LEU 24 HD12 LEU 24 -1.770 1.003 4.029 195 HD13 LEU 24 HD13 LEU 24 -1.861 -0.687 4.529 196 HD21 LEU 24 HD21 LEU 24 -2.851 -0.434 7.293 197 HD22 LEU 24 HD22 LEU 24 -3.580 -1.447 6.047 198 HD23 LEU 24 HD23 LEU 24 -4.574 -0.290 6.935 199 H TYR 25 H TYR 25 -4.886 3.255 8.836 200 HA TYR 25 HA TYR 25 -4.635 5.172 10.028 201 HB2 TYR 25 HB2 TYR 25 -3.038 6.256 7.738 202 HB3 TYR 25 HB3 TYR 25 -2.978 6.790 9.398 203 HD1 TYR 25 HD1 TYR 25 -3.006 3.203 8.700 204 HD2 TYR 25 HD2 TYR 25 -0.503 6.585 9.346 205 HE1 TYR 25 HE1 TYR 25 -1.108 1.714 9.011 206 HE2 TYR 25 HE2 TYR 25 1.436 5.086 9.674 207 HH TYR 25 HH TYR 25 1.450 1.909 8.781 208 H THR 26 H THR 26 -4.219 7.408 7.572 209 HA THR 26 HA THR 26 -7.091 7.963 7.541 210 HB THR 26 HB THR 26 -6.243 9.864 8.444 211 HG1 THR 26 HG1 THR 26 -5.998 11.468 6.780 212 HG21 THR 26 HG21 THR 26 -3.773 9.632 6.736 213 HG22 THR 26 HG22 THR 26 -3.913 9.104 8.412 214 HG23 THR 26 HG23 THR 26 -4.058 10.818 8.007 215 H LYS 27 H LYS 27 -4.653 6.718 5.554 216 HA LYS 27 HA LYS 27 -5.485 8.183 3.174 217 HB2 LYS 27 HB2 LYS 27 -3.636 6.048 2.621 218 HB3 LYS 27 HB3 LYS 27 -3.471 7.771 2.342 219 HG2 LYS 27 HG2 LYS 27 -2.893 6.343 4.906 220 HG3 LYS 27 HG3 LYS 27 -1.713 6.888 3.722 221 HD2 LYS 27 HD2 LYS 27 -3.633 8.723 5.109 222 HD3 LYS 27 HD3 LYS 27 -2.010 8.397 5.695 223 HE2 LYS 27 HE2 LYS 27 -1.283 9.086 3.297 224 HE3 LYS 27 HE3 LYS 27 -2.890 9.791 3.192 225 HZ1 LYS 27 HZ1 LYS 27 -0.845 10.483 5.239 226 HZ2 LYS 27 HZ2 LYS 27 -2.402 11.147 5.123 227 HZ3 LYS 27 HZ3 LYS 27 -1.278 11.424 3.898 228 H PHE 28 H PHE 28 -5.153 6.670 1.180 229 HA PHE 28 HA PHE 28 -6.801 4.272 1.377 230 HB2 PHE 28 HB2 PHE 28 -8.420 5.941 0.892 231 HB3 PHE 28 HB3 PHE 28 -7.361 6.727 -0.261 232 HD1 PHE 28 HD1 PHE 28 -9.521 3.779 0.296 233 HD2 PHE 28 HD2 PHE 28 -7.309 6.055 -2.524 234 HE1 PHE 28 HE1 PHE 28 -10.571 2.525 -1.541 235 HE2 PHE 28 HE2 PHE 28 -8.335 4.802 -4.363 236 HZ PHE 28 HZ PHE 28 -9.957 3.012 -3.892 237 H ILE 29 H ILE 29 -5.410 2.816 0.530 238 HA ILE 29 HA ILE 29 -3.994 3.471 -1.939 239 HB ILE 29 HB ILE 29 -4.168 0.822 -0.456 240 HG12 ILE 29 HG12 ILE 29 -1.614 1.316 -0.237 241 HG13 ILE 29 HG13 ILE 29 -2.091 2.987 -0.498 242 HG21 ILE 29 HG21 ILE 29 -2.448 0.029 -2.000 243 HG22 ILE 29 HG22 ILE 29 -2.498 1.568 -2.856 244 HG23 ILE 29 HG23 ILE 29 -3.913 0.511 -2.863 245 HD11 ILE 29 HD11 ILE 29 -3.439 2.972 1.474 246 HD12 ILE 29 HD12 ILE 29 -1.840 2.338 1.883 247 HD13 ILE 29 HD13 ILE 29 -3.202 1.237 1.677 248 H CYS 30 H CYS 30 -5.092 3.201 -3.863 249 HA CYS 30 HA CYS 30 -7.694 2.088 -3.888 250 HB2 CYS 30 HB2 CYS 30 -7.825 2.602 -6.128 251 HB3 CYS 30 HB3 CYS 30 -6.552 3.693 -5.621 252 H LEU 31 H LEU 31 -8.425 0.285 -4.986 253 HA LEU 31 HA LEU 31 -7.479 -1.991 -3.803 254 HB2 LEU 31 HB2 LEU 31 -9.261 -3.021 -4.832 255 HB3 LEU 31 HB3 LEU 31 -9.772 -1.378 -4.688 256 HG LEU 31 HG LEU 31 -8.828 -1.253 -7.172 257 HD11 LEU 31 HD11 LEU 31 -9.363 -3.288 -8.408 258 HD12 LEU 31 HD12 LEU 31 -9.700 -4.125 -6.891 259 HD13 LEU 31 HD13 LEU 31 -8.066 -3.560 -7.245 260 HD21 LEU 31 HD21 LEU 31 -11.082 -0.668 -6.494 261 HD22 LEU 31 HD22 LEU 31 -11.518 -2.374 -6.410 262 HD23 LEU 31 HD23 LEU 31 -11.111 -1.644 -7.963 263 H ASP 32 H ASP 32 -6.486 -0.573 -6.697 264 HA ASP 32 HA ASP 32 -5.611 -2.978 -8.039 265 HB2 ASP 32 HB2 ASP 32 -6.467 -0.939 -9.171 266 HB3 ASP 32 HB3 ASP 32 -5.040 -0.120 -8.632 267 H CYS 33 H CYS 33 -4.337 -0.252 -6.424 268 HA CYS 33 HA CYS 33 -1.597 -0.930 -6.651 269 HB2 CYS 33 HB2 CYS 33 -2.974 1.116 -4.935 270 HB3 CYS 33 HB3 CYS 33 -1.255 0.850 -4.955 271 H GLU 34 H GLU 34 -4.139 -1.443 -4.396 272 HA GLU 34 HA GLU 34 -2.660 -2.248 -2.200 273 HB2 GLU 34 HB2 GLU 34 -5.067 -1.842 -2.097 274 HB3 GLU 34 HB3 GLU 34 -5.372 -3.228 -3.125 275 HG2 GLU 34 HG2 GLU 34 -3.912 -3.668 -0.577 276 HG3 GLU 34 HG3 GLU 34 -5.625 -3.333 -0.504 277 H ARG 35 H ARG 35 -3.736 -4.120 -4.994 278 HA ARG 35 HA ARG 35 -2.325 -6.427 -4.058 279 HB2 ARG 35 HB2 ARG 35 -2.881 -7.500 -6.156 280 HB3 ARG 35 HB3 ARG 35 -4.301 -6.706 -5.495 281 HG2 ARG 35 HG2 ARG 35 -3.935 -4.833 -7.062 282 HG3 ARG 35 HG3 ARG 35 -2.594 -5.728 -7.759 283 HD2 ARG 35 HD2 ARG 35 -5.445 -6.572 -7.687 284 HD3 ARG 35 HD3 ARG 35 -4.553 -6.052 -9.103 285 HE ARG 35 HE ARG 35 -3.151 -8.188 -8.092 286 HH11 ARG 35 HH11 ARG 35 -6.408 -7.650 -9.261 287 HH12 ARG 35 HH12 ARG 35 -6.612 -9.279 -9.820 288 HH21 ARG 35 HH21 ARG 35 -3.422 -10.334 -8.816 289 HH22 ARG 35 HH22 ARG 35 -4.913 -10.806 -9.566 290 H LYS 36 H LYS 36 -1.451 -3.649 -5.821 291 HA LYS 36 HA LYS 36 0.598 -4.695 -7.437 292 HB2 LYS 36 HB2 LYS 36 0.199 -1.948 -6.367 293 HB3 LYS 36 HB3 LYS 36 1.465 -2.362 -7.492 294 HG2 LYS 36 HG2 LYS 36 -0.486 -3.156 -8.967 295 HG3 LYS 36 HG3 LYS 36 -1.476 -2.226 -7.923 296 HD2 LYS 36 HD2 LYS 36 -0.373 -0.300 -8.517 297 HD3 LYS 36 HD3 LYS 36 0.940 -1.140 -9.298 298 HE2 LYS 36 HE2 LYS 36 -0.666 -1.962 -10.983 299 HE3 LYS 36 HE3 LYS 36 -1.933 -1.010 -10.213 300 HZ1 LYS 36 HZ1 LYS 36 -0.995 0.108 -12.145 301 HZ2 LYS 36 HZ2 LYS 36 0.539 0.094 -11.440 302 HZ3 LYS 36 HZ3 LYS 36 -0.705 0.998 -10.737 303 H VAL 37 H VAL 37 0.369 -3.360 -4.273 304 HA VAL 37 HA VAL 37 3.032 -3.098 -3.634 305 HB VAL 37 HB VAL 37 2.338 -3.203 -1.296 306 HG11 VAL 37 HG11 VAL 37 0.203 -1.668 -2.739 307 HG12 VAL 37 HG12 VAL 37 1.896 -1.167 -2.814 308 HG13 VAL 37 HG13 VAL 37 1.067 -1.232 -1.259 309 HG21 VAL 37 HG21 VAL 37 -0.115 -4.342 -2.475 310 HG22 VAL 37 HG22 VAL 37 -0.238 -3.355 -1.018 311 HG23 VAL 37 HG23 VAL 37 0.776 -4.799 -1.017 312 H ILE 38 H ILE 38 0.870 -5.776 -3.133 313 HA ILE 38 HA ILE 38 2.535 -7.504 -1.691 314 HB ILE 38 HB ILE 38 0.433 -8.522 -3.581 315 HG12 ILE 38 HG12 ILE 38 -0.057 -6.963 -1.053 316 HG13 ILE 38 HG13 ILE 38 -0.710 -6.665 -2.648 317 HG21 ILE 38 HG21 ILE 38 1.330 -9.337 -0.835 318 HG22 ILE 38 HG22 ILE 38 1.630 -10.181 -2.350 319 HG23 ILE 38 HG23 ILE 38 -0.009 -10.080 -1.707 320 HD11 ILE 38 HD11 ILE 38 -2.233 -7.693 -0.860 321 HD12 ILE 38 HD12 ILE 38 -1.354 -9.188 -1.190 322 HD13 ILE 38 HD13 ILE 38 -2.244 -8.386 -2.484 323 H SER 39 H SER 39 2.078 -6.754 -5.007 324 HA SER 39 HA SER 39 3.507 -9.041 -5.902 325 HB2 SER 39 HB2 SER 39 1.615 -8.089 -7.208 326 HB3 SER 39 HB3 SER 39 2.575 -6.638 -7.486 327 HG SER 39 HG SER 39 3.591 -9.164 -8.200 328 H THR 40 H THR 40 4.191 -5.864 -4.941 329 HA THR 40 HA THR 40 6.643 -5.558 -6.424 330 HB THR 40 HB THR 40 5.486 -3.920 -4.157 331 HG1 THR 40 HG1 THR 40 4.253 -4.006 -6.160 332 HG21 THR 40 HG21 THR 40 7.919 -3.611 -4.408 333 HG22 THR 40 HG22 THR 40 7.011 -2.165 -4.853 334 HG23 THR 40 HG23 THR 40 7.678 -3.208 -6.110 335 H SER 41 H SER 41 5.930 -5.631 -2.911 336 HA SER 41 HA SER 41 8.715 -6.216 -2.397 337 HB2 SER 41 HB2 SER 41 7.888 -4.530 -1.037 338 HB3 SER 41 HB3 SER 41 6.448 -5.447 -0.678 339 HG SER 41 HG SER 41 7.483 -6.002 1.051 340 H THR 42 H THR 42 5.630 -7.568 -1.281 341 HA THR 42 HA THR 42 6.948 -9.789 -0.073 342 HB THR 42 HB THR 42 4.397 -10.515 0.087 343 HG1 THR 42 HG1 THR 42 3.979 -7.745 0.091 344 HG21 THR 42 HG21 THR 42 5.601 -8.204 1.619 345 HG22 THR 42 HG22 THR 42 5.837 -9.914 1.979 346 HG23 THR 42 HG23 THR 42 4.238 -9.190 2.145 347 H SER 43 H SER 43 6.751 -9.338 -3.174 348 HA SER 43 HA SER 43 6.181 -12.167 -3.744 349 HB2 SER 43 HB2 SER 43 4.718 -10.561 -4.960 350 HB3 SER 43 HB3 SER 43 6.154 -9.847 -5.692 351 HG SER 43 HG SER 43 6.516 -12.227 -6.318 352 H ASP 44 H ASP 44 8.562 -9.945 -3.260 353 HA ASP 44 HA ASP 44 10.677 -11.643 -4.003 354 HB2 ASP 44 HB2 ASP 44 10.151 -10.963 -6.296 355 HB3 ASP 44 HB3 ASP 44 10.234 -9.268 -5.829 356 HA PRO 45 HA PRO 45 11.701 -8.730 -0.688 357 HB2 PRO 45 HB2 PRO 45 13.980 -10.535 -0.301 358 HB3 PRO 45 HB3 PRO 45 12.709 -10.099 0.822 359 HG2 PRO 45 HG2 PRO 45 12.902 -12.482 -0.282 360 HG3 PRO 45 HG3 PRO 45 11.359 -11.781 0.182 361 HD2 PRO 45 HD2 PRO 45 12.546 -12.118 -2.525 362 HD3 PRO 45 HD3 PRO 45 10.845 -12.140 -2.023 363 H ASP 46 H ASP 46 13.493 -7.425 -0.178 364 HA ASP 46 HA ASP 46 15.111 -6.794 -2.542 365 HB2 ASP 46 HB2 ASP 46 13.731 -4.967 -1.651 366 HB3 ASP 46 HB3 ASP 46 14.515 -5.129 -0.083 367 H TYR 47 H TYR 47 15.326 -7.537 0.872 368 HA TYR 47 HA TYR 47 18.185 -8.052 0.493 369 HB2 TYR 47 HB2 TYR 47 18.359 -7.413 3.013 370 HB3 TYR 47 HB3 TYR 47 18.339 -6.142 1.801 371 HD1 TYR 47 HD1 TYR 47 16.475 -7.732 4.528 372 HD2 TYR 47 HD2 TYR 47 16.426 -4.656 1.590 373 HE1 TYR 47 HE1 TYR 47 14.592 -6.660 5.687 374 HE2 TYR 47 HE2 TYR 47 14.540 -3.579 2.742 375 HH TYR 47 HH TYR 47 12.730 -4.189 4.283 376 H ALA 48 H ALA 48 18.313 -10.181 0.472 377 HA ALA 48 HA ALA 48 17.359 -11.667 2.782 378 HB1 ALA 48 HB1 ALA 48 16.582 -12.468 -0.023 379 HB2 ALA 48 HB2 ALA 48 15.490 -11.799 1.189 380 HB3 ALA 48 HB3 ALA 48 16.242 -13.373 1.451 381 H1 SER 0 H1 SER 0 6.023 8.539 -16.096 382 H2 SER 0 H2 SER 0 5.843 7.376 -14.887 383 H3 SER 0 H3 SER 0 7.370 8.018 -15.221 384 HA SER 0 HA SER 0 6.691 10.174 -14.468 385 HB2 SER 0 HB2 SER 0 4.401 10.185 -13.242 386 HB3 SER 0 HB3 SER 0 4.413 10.295 -15.001 387 HG SER 0 HG SER 0 3.101 8.652 -14.846 388 H MET 1 H MET 1 8.481 8.792 -13.418 389 HA MET 1 HA MET 1 7.691 8.202 -10.640 390 HB2 MET 1 HB2 MET 1 9.811 6.795 -12.284 391 HB3 MET 1 HB3 MET 1 9.538 6.534 -10.571 392 HG2 MET 1 HG2 MET 1 8.498 4.739 -11.634 393 HG3 MET 1 HG3 MET 1 7.186 5.829 -11.199 394 HE1 MET 1 HE1 MET 1 9.437 4.423 -14.035 395 HE2 MET 1 HE2 MET 1 9.745 6.148 -14.232 396 HE3 MET 1 HE3 MET 1 8.848 5.265 -15.467 397 H ASP 2 H ASP 2 9.802 8.189 -9.235 398 HA ASP 2 HA ASP 2 11.488 9.362 -8.275 399 HB2 ASP 2 HB2 ASP 2 12.701 8.488 -10.258 400 HB3 ASP 2 HB3 ASP 2 12.296 9.962 -11.127 401 H GLU 3 H GLU 3 9.933 10.887 -7.443 402 HA GLU 3 HA GLU 3 10.188 13.532 -8.706 403 HB2 GLU 3 HB2 GLU 3 8.021 12.541 -6.848 404 HB3 GLU 3 HB3 GLU 3 8.135 14.171 -7.491 405 HG2 GLU 3 HG2 GLU 3 7.948 13.207 -9.779 406 HG3 GLU 3 HG3 GLU 3 7.651 11.638 -9.034 407 H THR 4 H THR 4 10.184 11.815 -5.606 408 HA THR 4 HA THR 4 11.765 14.034 -4.492 409 HB THR 4 HB THR 4 9.744 12.424 -2.926 410 HG1 THR 4 HG1 THR 4 9.450 14.617 -4.576 411 HG21 THR 4 HG21 THR 4 10.026 14.240 -1.277 412 HG22 THR 4 HG22 THR 4 11.261 14.965 -2.307 413 HG23 THR 4 HG23 THR 4 11.537 13.383 -1.578 414 H VAL 5 H VAL 5 13.678 13.421 -3.716 415 HA VAL 5 HA VAL 5 13.966 10.817 -2.461 416 HB VAL 5 HB VAL 5 14.599 10.288 -4.719 417 HG11 VAL 5 HG11 VAL 5 15.062 12.526 -5.523 418 HG12 VAL 5 HG12 VAL 5 16.411 11.447 -5.876 419 HG13 VAL 5 HG13 VAL 5 16.523 12.594 -4.540 420 HG21 VAL 5 HG21 VAL 5 16.925 9.570 -4.395 421 HG22 VAL 5 HG22 VAL 5 15.929 9.245 -2.977 422 HG23 VAL 5 HG23 VAL 5 17.040 10.613 -2.978 423 H LYS 6 H LYS 6 15.175 10.914 -0.694 424 HA LYS 6 HA LYS 6 17.094 13.118 -0.381 425 HB2 LYS 6 HB2 LYS 6 15.193 12.145 1.729 426 HB3 LYS 6 HB3 LYS 6 16.440 13.342 1.976 427 HG2 LYS 6 HG2 LYS 6 15.314 14.885 0.576 428 HG3 LYS 6 HG3 LYS 6 14.156 13.668 0.052 429 HD2 LYS 6 HD2 LYS 6 13.101 15.076 1.689 430 HD3 LYS 6 HD3 LYS 6 13.372 13.494 2.407 431 HE2 LYS 6 HE2 LYS 6 15.379 14.372 3.505 432 HE3 LYS 6 HE3 LYS 6 15.055 15.958 2.817 433 HZ1 LYS 6 HZ1 LYS 6 13.355 14.475 4.759 434 HZ2 LYS 6 HZ2 LYS 6 12.911 15.932 4.014 435 HZ3 LYS 6 HZ3 LYS 6 14.244 15.891 5.053 436 H LEU 7 H LEU 7 16.021 10.550 1.751 437 HA LEU 7 HA LEU 7 18.113 8.741 1.111 438 HB2 LEU 7 HB2 LEU 7 19.261 8.702 3.256 439 HB3 LEU 7 HB3 LEU 7 19.436 10.267 2.507 440 HG LEU 7 HG LEU 7 17.307 9.846 4.571 441 HD11 LEU 7 HD11 LEU 7 18.903 10.496 6.302 442 HD12 LEU 7 HD12 LEU 7 20.213 10.454 5.122 443 HD13 LEU 7 HD13 LEU 7 19.370 8.967 5.559 444 HD21 LEU 7 HD21 LEU 7 19.017 12.185 3.752 445 HD22 LEU 7 HD22 LEU 7 17.745 12.216 4.973 446 HD23 LEU 7 HD23 LEU 7 17.341 11.914 3.284 447 H ASN 8 H ASN 8 15.723 9.823 3.454 448 HA ASN 8 HA ASN 8 14.630 7.083 3.514 449 HB2 ASN 8 HB2 ASN 8 14.090 9.374 5.424 450 HB3 ASN 8 HB3 ASN 8 13.426 7.768 5.561 451 HD21 ASN 8 HD21 ASN 8 14.953 9.211 7.493 452 HD22 ASN 8 HD22 ASN 8 16.368 8.275 7.808 453 H HIS 9 H HIS 9 12.875 6.856 2.225 454 HA HIS 9 HA HIS 9 11.494 9.208 1.251 455 HB2 HIS 9 HB2 HIS 9 11.970 6.983 -0.021 456 HB3 HIS 9 HB3 HIS 9 10.519 6.416 0.769 457 HD1 HIS 9 HD1 HIS 9 11.402 7.540 -2.368 458 HD2 HIS 9 HD2 HIS 9 8.441 8.759 0.284 459 HE1 HIS 9 HE1 HIS 9 9.660 8.679 -3.774 460 HE2 HIS 9 HE2 HIS 9 7.939 9.508 -2.137 461 H THR 10 H THR 10 9.434 9.740 1.686 462 HA THR 10 HA THR 10 8.593 9.082 4.362 463 HB THR 10 HB THR 10 7.256 10.877 2.307 464 HG1 THR 10 HG1 THR 10 8.342 12.497 3.804 465 HG21 THR 10 HG21 THR 10 5.777 10.210 4.157 466 HG22 THR 10 HG22 THR 10 6.171 11.928 4.216 467 HG23 THR 10 HG23 THR 10 6.971 10.802 5.312 468 H CYS 11 H CYS 11 6.964 7.802 4.991 469 HA CYS 11 HA CYS 11 5.801 5.988 3.147 470 HB2 CYS 11 HB2 CYS 11 6.181 5.325 5.476 471 HB3 CYS 11 HB3 CYS 11 5.044 6.546 6.017 472 H VAL 12 H VAL 12 4.307 6.427 1.803 473 HA VAL 12 HA VAL 12 2.530 8.460 1.665 474 HB VAL 12 HB VAL 12 3.240 6.361 0.212 475 HG11 VAL 12 HG11 VAL 12 2.044 4.693 1.404 476 HG12 VAL 12 HG12 VAL 12 1.383 4.880 -0.221 477 HG13 VAL 12 HG13 VAL 12 0.526 5.563 1.164 478 HG21 VAL 12 HG21 VAL 12 2.441 8.168 -0.820 479 HG22 VAL 12 HG22 VAL 12 0.892 8.103 0.011 480 HG23 VAL 12 HG23 VAL 12 1.271 6.921 -1.242 481 H ILE 13 H ILE 13 2.563 5.930 3.927 482 HA ILE 13 HA ILE 13 -0.277 6.199 4.570 483 HB ILE 13 HB ILE 13 1.617 4.181 5.707 484 HG12 ILE 13 HG12 ILE 13 1.559 4.067 3.201 485 HG13 ILE 13 HG13 ILE 13 1.000 2.618 4.021 486 HG21 ILE 13 HG21 ILE 13 -1.368 4.235 5.415 487 HG22 ILE 13 HG22 ILE 13 -0.453 4.484 6.904 488 HG23 ILE 13 HG23 ILE 13 -0.421 2.912 6.102 489 HD11 ILE 13 HD11 ILE 13 -1.244 3.153 3.584 490 HD12 ILE 13 HD12 ILE 13 -0.336 3.321 2.076 491 HD13 ILE 13 HD13 ILE 13 -0.805 4.753 2.991 492 H CYS 14 H CYS 14 2.841 5.892 6.220 493 HA CYS 14 HA CYS 14 1.777 6.754 8.737 494 HB2 CYS 14 HB2 CYS 14 4.604 6.306 7.882 495 HB3 CYS 14 HB3 CYS 14 4.121 6.615 9.522 496 H ASP 15 H ASP 15 3.146 8.317 6.036 497 HA ASP 15 HA ASP 15 3.948 10.374 5.581 498 HB2 ASP 15 HB2 ASP 15 2.289 10.982 8.002 499 HB3 ASP 15 HB3 ASP 15 3.185 12.227 7.147 500 H GLN 16 H GLN 16 5.668 8.696 6.818 501 HA GLN 16 HA GLN 16 7.379 10.463 8.393 502 HB2 GLN 16 HB2 GLN 16 6.915 7.524 8.912 503 HB3 GLN 16 HB3 GLN 16 8.092 8.522 9.739 504 HG2 GLN 16 HG2 GLN 16 5.130 8.859 9.823 505 HG3 GLN 16 HG3 GLN 16 6.126 8.186 11.096 506 HE21 GLN 16 HE21 GLN 16 4.342 10.433 11.180 507 HE22 GLN 16 HE22 GLN 16 5.291 11.788 11.661 508 H GLU 17 H GLU 17 9.615 10.087 8.097 509 HA GLU 17 HA GLU 17 10.267 9.243 5.436 510 HB2 GLU 17 HB2 GLU 17 11.940 10.523 7.602 511 HB3 GLU 17 HB3 GLU 17 12.499 10.189 5.967 512 HG2 GLU 17 HG2 GLU 17 10.911 11.710 5.043 513 HG3 GLU 17 HG3 GLU 17 10.153 11.922 6.616 514 H LYS 18 H LYS 18 10.631 7.270 5.085 515 HA LYS 18 HA LYS 18 12.118 5.587 6.992 516 HB2 LYS 18 HB2 LYS 18 10.196 4.281 5.213 517 HB3 LYS 18 HB3 LYS 18 10.641 3.882 6.842 518 HG2 LYS 18 HG2 LYS 18 8.788 6.092 6.032 519 HG3 LYS 18 HG3 LYS 18 8.312 4.531 6.696 520 HD2 LYS 18 HD2 LYS 18 10.213 6.216 8.226 521 HD3 LYS 18 HD3 LYS 18 8.527 6.662 8.205 522 HE2 LYS 18 HE2 LYS 18 9.011 5.331 10.138 523 HE3 LYS 18 HE3 LYS 18 7.977 4.459 9.033 524 HZ1 LYS 18 HZ1 LYS 18 9.738 3.064 9.965 525 HZ2 LYS 18 HZ2 LYS 18 10.903 4.071 9.267 526 HZ3 LYS 18 HZ3 LYS 18 9.857 3.178 8.283 527 H ASN 19 H ASN 19 13.631 4.163 6.098 528 HA ASN 19 HA ASN 19 14.258 4.826 3.319 529 HB2 ASN 19 HB2 ASN 19 16.499 4.088 3.741 530 HB3 ASN 19 HB3 ASN 19 16.014 5.153 5.049 531 HD21 ASN 19 HD21 ASN 19 15.702 4.343 7.097 532 HD22 ASN 19 HD22 ASN 19 16.269 2.745 7.563 533 H ARG 20 H ARG 20 12.837 2.348 5.095 534 HA ARG 20 HA ARG 20 13.345 0.473 2.888 535 HB2 ARG 20 HB2 ARG 20 13.024 -0.107 5.815 536 HB3 ARG 20 HB3 ARG 20 12.894 -1.351 4.603 537 HG2 ARG 20 HG2 ARG 20 15.152 -0.879 3.867 538 HG3 ARG 20 HG3 ARG 20 15.295 0.337 5.128 539 HD2 ARG 20 HD2 ARG 20 14.763 -1.361 6.733 540 HD3 ARG 20 HD3 ARG 20 14.681 -2.569 5.493 541 HE ARG 20 HE ARG 20 17.208 -1.249 5.492 542 HH11 ARG 20 HH11 ARG 20 15.345 -3.710 7.133 543 HH12 ARG 20 HH12 ARG 20 16.734 -4.601 7.662 544 HH21 ARG 20 HH21 ARG 20 19.053 -2.437 6.168 545 HH22 ARG 20 HH22 ARG 20 18.844 -3.877 7.113 546 H GLY 21 H GLY 21 11.680 -0.429 1.913 547 HA2 GLY 21 HA2 GLY 21 9.184 -1.092 2.549 548 HA3 GLY 21 HA3 GLY 21 9.030 0.658 2.436 549 H ILE 22 H ILE 22 7.602 0.303 0.516 550 HA ILE 22 HA ILE 22 9.184 -0.456 -1.842 551 HB ILE 22 HB ILE 22 7.404 -1.546 -2.808 552 HG12 ILE 22 HG12 ILE 22 5.612 -0.048 -0.928 553 HG13 ILE 22 HG13 ILE 22 5.860 0.324 -2.599 554 HG21 ILE 22 HG21 ILE 22 6.483 -3.072 -1.205 555 HG22 ILE 22 HG22 ILE 22 6.800 -1.942 0.113 556 HG23 ILE 22 HG23 ILE 22 8.145 -2.698 -0.741 557 HD11 ILE 22 HD11 ILE 22 3.773 -0.806 -2.331 558 HD12 ILE 22 HD12 ILE 22 4.568 -2.140 -1.497 559 HD13 ILE 22 HD13 ILE 22 4.897 -1.845 -3.208 560 H HIS 23 H HIS 23 7.618 0.319 -3.800 561 HA HIS 23 HA HIS 23 6.846 3.050 -3.527 562 HB2 HIS 23 HB2 HIS 23 8.619 3.929 -5.084 563 HB3 HIS 23 HB3 HIS 23 9.209 3.473 -3.502 564 HD1 HIS 23 HD1 HIS 23 9.417 2.544 -7.119 565 HD2 HIS 23 HD2 HIS 23 10.961 1.346 -3.469 566 HE1 HIS 23 HE1 HIS 23 11.314 0.986 -7.676 567 HE2 HIS 23 HE2 HIS 23 12.123 0.132 -5.443 568 H LEU 24 H LEU 24 5.048 2.970 -4.714 569 HA LEU 24 HA LEU 24 5.162 1.787 -7.372 570 HB2 LEU 24 HB2 LEU 24 2.789 2.590 -5.690 571 HB3 LEU 24 HB3 LEU 24 2.747 1.872 -7.248 572 HG LEU 24 HG LEU 24 3.959 0.430 -4.928 573 HD11 LEU 24 HD11 LEU 24 1.093 0.465 -5.856 574 HD12 LEU 24 HD12 LEU 24 1.708 0.948 -4.274 575 HD13 LEU 24 HD13 LEU 24 1.771 -0.744 -4.769 576 HD21 LEU 24 HD21 LEU 24 2.767 -0.518 -7.535 577 HD22 LEU 24 HD22 LEU 24 3.479 -1.539 -6.284 578 HD23 LEU 24 HD23 LEU 24 4.492 -0.402 -7.176 579 H TYR 25 H TYR 25 4.865 3.133 -9.089 580 HA TYR 25 HA TYR 25 4.644 5.047 -10.289 581 HB2 TYR 25 HB2 TYR 25 3.065 6.167 -8.004 582 HB3 TYR 25 HB3 TYR 25 3.015 6.695 -9.667 583 HD1 TYR 25 HD1 TYR 25 2.983 3.111 -8.956 584 HD2 TYR 25 HD2 TYR 25 0.535 6.531 -9.611 585 HE1 TYR 25 HE1 TYR 25 1.061 1.652 -9.262 586 HE2 TYR 25 HE2 TYR 25 -1.428 5.067 -9.933 587 HH TYR 25 HH TYR 25 -1.499 1.892 -9.036 588 H THR 26 H THR 26 4.265 7.302 -7.844 589 HA THR 26 HA THR 26 7.146 7.808 -7.809 590 HB THR 26 HB THR 26 6.328 9.715 -8.729 591 HG1 THR 26 HG1 THR 26 6.100 11.334 -7.067 592 HG21 THR 26 HG21 THR 26 3.855 9.534 -7.017 593 HG22 THR 26 HG22 THR 26 3.987 8.999 -8.692 594 HG23 THR 26 HG23 THR 26 4.159 10.712 -8.293 595 H LYS 27 H LYS 27 4.688 6.608 -5.819 596 HA LYS 27 HA LYS 27 5.541 8.072 -3.446 597 HB2 LYS 27 HB2 LYS 27 3.657 5.970 -2.886 598 HB3 LYS 27 HB3 LYS 27 3.520 7.695 -2.611 599 HG2 LYS 27 HG2 LYS 27 2.918 6.268 -5.171 600 HG3 LYS 27 HG3 LYS 27 1.748 6.840 -3.989 601 HD2 LYS 27 HD2 LYS 27 3.701 8.636 -5.382 602 HD3 LYS 27 HD3 LYS 27 2.073 8.334 -5.970 603 HE2 LYS 27 HE2 LYS 27 1.356 9.045 -3.575 604 HE3 LYS 27 HE3 LYS 27 2.971 9.728 -3.473 605 HZ1 LYS 27 HZ1 LYS 27 0.935 10.440 -5.523 606 HZ2 LYS 27 HZ2 LYS 27 2.501 11.080 -5.411 607 HZ3 LYS 27 HZ3 LYS 27 1.379 11.381 -4.187 608 H PHE 28 H PHE 28 5.184 6.570 -1.446 609 HA PHE 28 HA PHE 28 6.792 4.146 -1.635 610 HB2 PHE 28 HB2 PHE 28 8.438 5.789 -1.154 611 HB3 PHE 28 HB3 PHE 28 7.392 6.598 -0.005 612 HD1 PHE 28 HD1 PHE 28 9.505 3.613 -0.549 613 HD2 PHE 28 HD2 PHE 28 7.328 5.935 2.262 614 HE1 PHE 28 HE1 PHE 28 10.531 2.348 1.292 615 HE2 PHE 28 HE2 PHE 28 8.332 4.671 4.106 616 HZ PHE 28 HZ PHE 28 9.925 2.855 3.641 617 H ILE 29 H ILE 29 5.378 2.714 -0.782 618 HA ILE 29 HA ILE 29 3.972 3.402 1.683 619 HB ILE 29 HB ILE 29 4.103 0.746 0.211 620 HG12 ILE 29 HG12 ILE 29 1.559 1.281 -0.008 621 HG13 ILE 29 HG13 ILE 29 2.062 2.945 0.248 622 HG21 ILE 29 HG21 ILE 29 2.371 -0.015 1.758 623 HG22 ILE 29 HG22 ILE 29 2.446 1.527 2.609 624 HG23 ILE 29 HG23 ILE 29 3.842 0.447 2.621 625 HD11 ILE 29 HD11 ILE 29 3.408 2.903 -1.725 626 HD12 ILE 29 HD12 ILE 29 1.800 2.293 -2.131 627 HD13 ILE 29 HD13 ILE 29 3.144 1.171 -1.924 628 H CYS 30 H CYS 30 5.063 3.123 3.609 629 HA CYS 30 HA CYS 30 7.646 1.969 3.640 630 HB2 CYS 30 HB2 CYS 30 7.785 2.488 5.877 631 HB3 CYS 30 HB3 CYS 30 6.531 3.599 5.366 632 H LEU 31 H LEU 31 8.348 0.158 4.746 633 HA LEU 31 HA LEU 31 7.367 -2.107 3.568 634 HB2 LEU 31 HB2 LEU 31 9.133 -3.160 4.599 635 HB3 LEU 31 HB3 LEU 31 9.668 -1.524 4.455 636 HG LEU 31 HG LEU 31 8.726 -1.382 6.935 637 HD11 LEU 31 HD11 LEU 31 9.226 -3.420 8.181 638 HD12 LEU 31 HD12 LEU 31 9.549 -4.268 6.668 639 HD13 LEU 31 HD13 LEU 31 7.926 -3.676 7.018 640 HD21 LEU 31 HD21 LEU 31 10.990 -0.836 6.258 641 HD22 LEU 31 HD22 LEU 31 11.398 -2.551 6.182 642 HD23 LEU 31 HD23 LEU 31 11.000 -1.806 7.730 643 H ASP 32 H ASP 32 6.393 -0.661 6.453 644 HA ASP 32 HA ASP 32 5.481 -3.046 7.809 645 HB2 ASP 32 HB2 ASP 32 6.369 -1.018 8.936 646 HB3 ASP 32 HB3 ASP 32 4.958 -0.176 8.393 647 H CYS 33 H CYS 33 4.251 -0.308 6.181 648 HA CYS 33 HA CYS 33 1.500 -0.937 6.411 649 HB2 CYS 33 HB2 CYS 33 2.913 1.079 4.690 650 HB3 CYS 33 HB3 CYS 33 1.188 0.841 4.708 651 H GLU 34 H GLU 34 4.032 -1.503 4.158 652 HA GLU 34 HA GLU 34 2.545 -2.292 1.961 653 HB2 GLU 34 HB2 GLU 34 4.966 -1.949 1.898 654 HB3 GLU 34 HB3 GLU 34 5.207 -3.353 2.901 655 HG2 GLU 34 HG2 GLU 34 3.776 -3.733 0.363 656 HG3 GLU 34 HG3 GLU 34 5.489 -3.428 0.284 657 H ARG 35 H ARG 35 3.603 -4.162 4.746 658 HA ARG 35 HA ARG 35 2.140 -6.454 3.842 659 HB2 ARG 35 HB2 ARG 35 2.678 -7.528 5.941 660 HB3 ARG 35 HB3 ARG 35 4.112 -6.762 5.280 661 HG2 ARG 35 HG2 ARG 35 3.773 -4.877 6.843 662 HG3 ARG 35 HG3 ARG 35 2.420 -5.753 7.541 663 HD2 ARG 35 HD2 ARG 35 5.260 -6.639 7.467 664 HD3 ARG 35 HD3 ARG 35 4.379 -6.101 8.883 665 HE ARG 35 HE ARG 35 2.944 -8.222 7.874 666 HH11 ARG 35 HH11 ARG 35 6.202 -7.723 9.046 667 HH12 ARG 35 HH12 ARG 35 6.380 -9.350 9.623 668 HH21 ARG 35 HH21 ARG 35 3.174 -10.363 8.611 669 HH22 ARG 35 HH22 ARG 35 4.653 -10.858 9.368 670 H LYS 36 H LYS 36 1.309 -3.655 5.594 671 HA LYS 36 HA LYS 36 -0.757 -4.663 7.212 672 HB2 LYS 36 HB2 LYS 36 -0.312 -1.927 6.130 673 HB3 LYS 36 HB3 LYS 36 -1.584 -2.315 7.258 674 HG2 LYS 36 HG2 LYS 36 0.354 -3.135 8.734 675 HG3 LYS 36 HG3 LYS 36 1.358 -2.226 7.685 676 HD2 LYS 36 HD2 LYS 36 0.287 -0.282 8.275 677 HD3 LYS 36 HD3 LYS 36 -1.041 -1.097 9.057 678 HE2 LYS 36 HE2 LYS 36 0.551 -1.941 10.742 679 HE3 LYS 36 HE3 LYS 36 1.834 -1.012 9.973 680 HZ1 LYS 36 HZ1 LYS 36 0.919 0.125 11.900 681 HZ2 LYS 36 HZ2 LYS 36 -0.619 0.123 11.202 682 HZ3 LYS 36 HZ3 LYS 36 0.632 1.014 10.491 683 H VAL 37 H VAL 37 -0.505 -3.347 4.043 684 HA VAL 37 HA VAL 37 -3.163 -3.042 3.403 685 HB VAL 37 HB VAL 37 -2.470 -3.166 1.065 686 HG11 VAL 37 HG11 VAL 37 -0.309 -1.662 2.501 687 HG12 VAL 37 HG12 VAL 37 -1.994 -1.131 2.575 688 HG13 VAL 37 HG13 VAL 37 -1.166 -1.218 1.021 689 HG21 VAL 37 HG21 VAL 37 -0.037 -4.343 2.249 690 HG22 VAL 37 HG22 VAL 37 0.103 -3.364 0.789 691 HG23 VAL 37 HG23 VAL 37 -0.935 -4.790 0.792 692 H ILE 38 H ILE 38 -1.045 -5.758 2.910 693 HA ILE 38 HA ILE 38 -2.738 -7.465 1.477 694 HB ILE 38 HB ILE 38 -0.652 -8.509 3.371 695 HG12 ILE 38 HG12 ILE 38 -0.135 -6.968 0.838 696 HG13 ILE 38 HG13 ILE 38 0.522 -6.675 2.430 697 HG21 ILE 38 HG21 ILE 38 -1.559 -9.319 0.626 698 HG22 ILE 38 HG22 ILE 38 -1.877 -10.153 2.145 699 HG23 ILE 38 HG23 ILE 38 -0.235 -10.080 1.505 700 HD11 ILE 38 HD11 ILE 38 2.027 -7.734 0.648 701 HD12 ILE 38 HD12 ILE 38 1.124 -9.213 0.983 702 HD13 ILE 38 HD13 ILE 38 2.026 -8.420 2.274 703 H SER 39 H SER 39 -2.267 -6.708 4.790 704 HA SER 39 HA SER 39 -3.732 -8.967 5.695 705 HB2 SER 39 HB2 SER 39 -1.830 -8.037 7.002 706 HB3 SER 39 HB3 SER 39 -2.766 -6.570 7.269 707 HG SER 39 HG SER 39 -3.823 -9.078 7.996 708 H THR 40 H THR 40 -4.365 -5.783 4.716 709 HA THR 40 HA THR 40 -6.810 -5.433 6.200 710 HB THR 40 HB THR 40 -5.629 -3.821 3.928 711 HG1 THR 40 HG1 THR 40 -4.401 -3.919 5.935 712 HG21 THR 40 HG21 THR 40 -8.058 -3.472 4.176 713 HG22 THR 40 HG22 THR 40 -7.128 -2.040 4.614 714 HG23 THR 40 HG23 THR 40 -7.812 -3.067 5.876 715 H SER 41 H SER 41 -6.101 -5.529 2.688 716 HA SER 41 HA SER 41 -8.897 -6.072 2.177 717 HB2 SER 41 HB2 SER 41 -8.043 -4.402 0.809 718 HB3 SER 41 HB3 SER 41 -6.616 -5.343 0.456 719 HG SER 41 HG SER 41 -7.641 -5.920 -1.266 720 H THR 42 H THR 42 -5.832 -7.478 1.068 721 HA THR 42 HA THR 42 -7.188 -9.680 -0.134 722 HB THR 42 HB THR 42 -4.654 -10.450 -0.294 723 HG1 THR 42 HG1 THR 42 -4.184 -7.689 -0.306 724 HG21 THR 42 HG21 THR 42 -5.816 -8.125 -1.834 725 HG22 THR 42 HG22 THR 42 -6.081 -9.832 -2.188 726 HG23 THR 42 HG23 THR 42 -4.470 -9.136 -2.357 727 H SER 43 H SER 43 -6.979 -9.223 2.964 728 HA SER 43 HA SER 43 -6.459 -12.061 3.548 729 HB2 SER 43 HB2 SER 43 -4.970 -10.474 4.759 730 HB3 SER 43 HB3 SER 43 -6.393 -9.728 5.483 731 HG SER 43 HG SER 43 -6.789 -12.114 6.114 732 H ASP 44 H ASP 44 -8.802 -9.798 3.051 733 HA ASP 44 HA ASP 44 -10.948 -11.455 3.801 734 HB2 ASP 44 HB2 ASP 44 -10.410 -10.770 6.091 735 HB3 ASP 44 HB3 ASP 44 -10.473 -9.077 5.617 736 HA PRO 45 HA PRO 45 -11.923 -8.544 0.476 737 HB2 PRO 45 HB2 PRO 45 -14.190 -10.332 0.067 738 HB3 PRO 45 HB3 PRO 45 -12.920 -9.905 -1.036 739 HG2 PRO 45 HG2 PRO 45 -13.193 -12.311 0.111 740 HG3 PRO 45 HG3 PRO 45 -11.681 -11.603 -0.370 741 HD2 PRO 45 HD2 PRO 45 -12.803 -11.914 2.319 742 HD3 PRO 45 HD3 PRO 45 -11.111 -11.953 1.810 743 H ASP 46 H ASP 46 -13.678 -7.175 -0.032 744 HA ASP 46 HA ASP 46 -15.300 -6.538 2.322 745 HB2 ASP 46 HB2 ASP 46 -13.895 -4.736 1.422 746 HB3 ASP 46 HB3 ASP 46 -14.682 -4.893 -0.145 747 H TYR 47 H TYR 47 -15.526 -7.298 -1.087 748 HA TYR 47 HA TYR 47 -18.392 -7.762 -0.713 749 HB2 TYR 47 HB2 TYR 47 -18.555 -7.129 -3.234 750 HB3 TYR 47 HB3 TYR 47 -18.515 -5.855 -2.026 751 HD1 TYR 47 HD1 TYR 47 -16.677 -7.484 -4.746 752 HD2 TYR 47 HD2 TYR 47 -16.579 -4.399 -1.820 753 HE1 TYR 47 HE1 TYR 47 -14.774 -6.450 -5.908 754 HE2 TYR 47 HE2 TYR 47 -14.675 -3.357 -2.974 755 HH TYR 47 HH TYR 47 -12.879 -3.993 -4.505 756 H ALA 48 H ALA 48 -18.553 -9.889 -0.681 757 HA ALA 48 HA ALA 48 -17.629 -11.404 -2.982 758 HB1 ALA 48 HB1 ALA 48 -16.866 -12.200 -0.172 759 HB2 ALA 48 HB2 ALA 48 -15.763 -11.554 -1.387 760 HB3 ALA 48 HB3 ALA 48 -16.539 -13.118 -1.642 Start of MODEL 14 1 H1 SER 0 H1 SER 0 2.115 14.002 5.147 2 H2 SER 0 H2 SER 0 3.141 15.147 5.863 3 H3 SER 0 H3 SER 0 2.217 15.570 4.514 4 HA SER 0 HA SER 0 1.113 14.795 7.138 5 HB2 SER 0 HB2 SER 0 0.468 17.289 7.146 6 HB3 SER 0 HB3 SER 0 2.152 16.888 7.483 7 HG SER 0 HG SER 0 1.006 18.003 5.157 8 H MET 1 H MET 1 0.076 13.378 5.220 9 HA MET 1 HA MET 1 -2.065 14.863 3.896 10 HB2 MET 1 HB2 MET 1 -0.900 13.266 2.506 11 HB3 MET 1 HB3 MET 1 -1.183 11.981 3.674 12 HG2 MET 1 HG2 MET 1 -3.655 12.349 3.283 13 HG3 MET 1 HG3 MET 1 -3.192 13.359 1.916 14 HE1 MET 1 HE1 MET 1 -1.446 10.833 -0.466 15 HE2 MET 1 HE2 MET 1 -0.708 11.935 0.696 16 HE3 MET 1 HE3 MET 1 -2.072 12.471 -0.282 17 H ASP 2 H ASP 2 -4.009 15.057 4.800 18 HA ASP 2 HA ASP 2 -5.001 12.875 6.496 19 HB2 ASP 2 HB2 ASP 2 -5.365 15.162 7.360 20 HB3 ASP 2 HB3 ASP 2 -6.251 15.573 5.895 21 H GLU 3 H GLU 3 -6.596 15.003 4.179 22 HA GLU 3 HA GLU 3 -8.171 14.591 2.589 23 HB2 GLU 3 HB2 GLU 3 -5.865 12.857 1.708 24 HB3 GLU 3 HB3 GLU 3 -7.209 13.324 0.671 25 HG2 GLU 3 HG2 GLU 3 -6.628 15.706 1.102 26 HG3 GLU 3 HG3 GLU 3 -5.198 15.149 1.966 27 H THR 4 H THR 4 -9.208 13.351 4.541 28 HA THR 4 HA THR 4 -9.572 10.554 4.254 29 HB THR 4 HB THR 4 -11.725 11.235 5.674 30 HG1 THR 4 HG1 THR 4 -9.985 13.381 6.321 31 HG21 THR 4 HG21 THR 4 -9.841 9.920 6.509 32 HG22 THR 4 HG22 THR 4 -10.320 11.140 7.690 33 HG23 THR 4 HG23 THR 4 -8.884 11.390 6.697 34 H VAL 5 H VAL 5 -11.651 13.329 3.481 35 HA VAL 5 HA VAL 5 -13.407 13.645 2.117 36 HB VAL 5 HB VAL 5 -13.145 13.091 -0.185 37 HG11 VAL 5 HG11 VAL 5 -10.496 13.667 1.126 38 HG12 VAL 5 HG12 VAL 5 -11.726 14.844 0.663 39 HG13 VAL 5 HG13 VAL 5 -10.868 13.931 -0.577 40 HG21 VAL 5 HG21 VAL 5 -11.385 11.603 -0.996 41 HG22 VAL 5 HG22 VAL 5 -12.575 10.746 -0.016 42 HG23 VAL 5 HG23 VAL 5 -11.004 11.160 0.667 43 H LYS 6 H LYS 6 -14.993 12.490 0.425 44 HA LYS 6 HA LYS 6 -16.013 10.083 1.769 45 HB2 LYS 6 HB2 LYS 6 -17.578 12.537 1.069 46 HB3 LYS 6 HB3 LYS 6 -18.300 11.033 1.590 47 HG2 LYS 6 HG2 LYS 6 -17.170 11.233 3.718 48 HG3 LYS 6 HG3 LYS 6 -16.405 12.731 3.194 49 HD2 LYS 6 HD2 LYS 6 -18.608 13.767 2.959 50 HD3 LYS 6 HD3 LYS 6 -19.370 12.266 3.471 51 HE2 LYS 6 HE2 LYS 6 -18.274 12.423 5.633 52 HE3 LYS 6 HE3 LYS 6 -17.476 13.901 5.118 53 HZ1 LYS 6 HZ1 LYS 6 -20.410 13.562 5.336 54 HZ2 LYS 6 HZ2 LYS 6 -19.594 14.989 4.946 55 HZ3 LYS 6 HZ3 LYS 6 -19.436 14.322 6.490 56 H LEU 7 H LEU 7 -17.660 8.927 0.541 57 HA LEU 7 HA LEU 7 -18.400 7.825 -1.287 58 HB2 LEU 7 HB2 LEU 7 -17.706 10.333 -2.740 59 HB3 LEU 7 HB3 LEU 7 -18.575 9.002 -3.448 60 HG LEU 7 HG LEU 7 -19.524 10.698 -1.142 61 HD11 LEU 7 HD11 LEU 7 -19.511 11.904 -3.265 62 HD12 LEU 7 HD12 LEU 7 -21.155 11.559 -2.733 63 HD13 LEU 7 HD13 LEU 7 -20.424 10.597 -4.017 64 HD21 LEU 7 HD21 LEU 7 -20.338 8.424 -0.989 65 HD22 LEU 7 HD22 LEU 7 -20.858 8.476 -2.671 66 HD23 LEU 7 HD23 LEU 7 -21.645 9.504 -1.473 67 H ASN 8 H ASN 8 -15.883 9.699 -2.887 68 HA ASN 8 HA ASN 8 -14.427 7.251 -3.531 69 HB2 ASN 8 HB2 ASN 8 -12.810 9.246 -4.406 70 HB3 ASN 8 HB3 ASN 8 -14.077 8.577 -5.400 71 HD21 ASN 8 HD21 ASN 8 -15.882 9.800 -5.790 72 HD22 ASN 8 HD22 ASN 8 -15.934 11.486 -5.431 73 H HIS 9 H HIS 9 -12.279 6.928 -2.820 74 HA HIS 9 HA HIS 9 -11.193 9.014 -1.071 75 HB2 HIS 9 HB2 HIS 9 -11.871 6.797 0.058 76 HB3 HIS 9 HB3 HIS 9 -10.436 6.135 -0.688 77 HD1 HIS 9 HD1 HIS 9 -10.697 6.236 2.356 78 HD2 HIS 9 HD2 HIS 9 -8.925 9.246 0.105 79 HE1 HIS 9 HE1 HIS 9 -9.175 7.458 3.939 80 HE2 HIS 9 HE2 HIS 9 -8.265 9.388 2.599 81 H THR 10 H THR 10 -9.209 9.568 -1.535 82 HA THR 10 HA THR 10 -8.454 8.986 -4.245 83 HB THR 10 HB THR 10 -7.084 10.815 -2.251 84 HG1 THR 10 HG1 THR 10 -8.450 12.418 -3.112 85 HG21 THR 10 HG21 THR 10 -5.736 10.343 -4.243 86 HG22 THR 10 HG22 THR 10 -6.309 12.011 -4.250 87 HG23 THR 10 HG23 THR 10 -7.087 10.807 -5.276 88 H CYS 11 H CYS 11 -6.868 7.742 -4.949 89 HA CYS 11 HA CYS 11 -5.404 6.060 -3.184 90 HB2 CYS 11 HB2 CYS 11 -5.962 5.318 -5.469 91 HB3 CYS 11 HB3 CYS 11 -4.968 6.605 -6.139 92 H VAL 12 H VAL 12 -3.773 6.670 -2.000 93 HA VAL 12 HA VAL 12 -2.284 9.011 -2.189 94 HB VAL 12 HB VAL 12 -0.569 7.799 -0.825 95 HG11 VAL 12 HG11 VAL 12 -2.041 7.365 1.103 96 HG12 VAL 12 HG12 VAL 12 -3.437 7.487 0.030 97 HG13 VAL 12 HG13 VAL 12 -2.403 8.892 0.297 98 HG21 VAL 12 HG21 VAL 12 -2.435 5.470 -1.229 99 HG22 VAL 12 HG22 VAL 12 -1.121 5.521 -0.056 100 HG23 VAL 12 HG23 VAL 12 -0.765 5.590 -1.782 101 H ILE 13 H ILE 13 -2.233 6.296 -4.159 102 HA ILE 13 HA ILE 13 0.545 6.586 -4.966 103 HB ILE 13 HB ILE 13 -1.374 4.562 -6.024 104 HG12 ILE 13 HG12 ILE 13 -1.429 4.516 -3.529 105 HG13 ILE 13 HG13 ILE 13 -0.831 3.036 -4.270 106 HG21 ILE 13 HG21 ILE 13 0.631 3.240 -6.323 107 HG22 ILE 13 HG22 ILE 13 1.594 4.544 -5.621 108 HG23 ILE 13 HG23 ILE 13 0.747 4.795 -7.150 109 HD11 ILE 13 HD11 ILE 13 0.918 5.203 -3.195 110 HD12 ILE 13 HD12 ILE 13 1.396 3.596 -3.745 111 HD13 ILE 13 HD13 ILE 13 0.415 3.779 -2.289 112 H CYS 14 H CYS 14 -2.598 6.179 -6.529 113 HA CYS 14 HA CYS 14 -1.582 7.081 -9.057 114 HB2 CYS 14 HB2 CYS 14 -4.368 6.464 -8.193 115 HB3 CYS 14 HB3 CYS 14 -3.895 6.749 -9.839 116 H ASP 15 H ASP 15 -2.946 8.559 -6.326 117 HA ASP 15 HA ASP 15 -3.874 10.548 -5.811 118 HB2 ASP 15 HB2 ASP 15 -2.487 11.325 -8.351 119 HB3 ASP 15 HB3 ASP 15 -3.355 12.470 -7.345 120 H GLN 16 H GLN 16 -5.591 8.799 -6.830 121 HA GLN 16 HA GLN 16 -7.393 10.376 -8.504 122 HB2 GLN 16 HB2 GLN 16 -6.820 7.430 -8.793 123 HB3 GLN 16 HB3 GLN 16 -8.061 8.305 -9.665 124 HG2 GLN 16 HG2 GLN 16 -5.115 8.733 -9.868 125 HG3 GLN 16 HG3 GLN 16 -6.138 7.962 -11.063 126 HE21 GLN 16 HE21 GLN 16 -4.416 10.230 -11.379 127 HE22 GLN 16 HE22 GLN 16 -5.417 11.535 -11.890 128 H GLU 17 H GLU 17 -9.533 10.189 -8.050 129 HA GLU 17 HA GLU 17 -10.261 9.387 -5.395 130 HB2 GLU 17 HB2 GLU 17 -11.857 10.557 -7.673 131 HB3 GLU 17 HB3 GLU 17 -12.478 10.303 -6.044 132 HG2 GLU 17 HG2 GLU 17 -10.984 11.894 -5.137 133 HG3 GLU 17 HG3 GLU 17 -10.069 11.967 -6.630 134 H LYS 18 H LYS 18 -10.278 7.262 -5.174 135 HA LYS 18 HA LYS 18 -11.930 5.666 -7.015 136 HB2 LYS 18 HB2 LYS 18 -10.001 4.410 -5.187 137 HB3 LYS 18 HB3 LYS 18 -10.534 3.875 -6.755 138 HG2 LYS 18 HG2 LYS 18 -8.583 6.072 -6.161 139 HG3 LYS 18 HG3 LYS 18 -8.237 4.508 -6.887 140 HD2 LYS 18 HD2 LYS 18 -10.190 6.331 -8.187 141 HD3 LYS 18 HD3 LYS 18 -8.483 6.631 -8.364 142 HE2 LYS 18 HE2 LYS 18 -9.298 5.379 -10.236 143 HE3 LYS 18 HE3 LYS 18 -8.227 4.404 -9.262 144 HZ1 LYS 18 HZ1 LYS 18 -10.080 3.236 -8.338 145 HZ2 LYS 18 HZ2 LYS 18 -10.226 3.209 -10.020 146 HZ3 LYS 18 HZ3 LYS 18 -11.175 4.269 -9.110 147 H ASN 19 H ASN 19 -13.508 4.338 -6.191 148 HA ASN 19 HA ASN 19 -14.063 4.779 -3.349 149 HB2 ASN 19 HB2 ASN 19 -16.336 4.269 -3.789 150 HB3 ASN 19 HB3 ASN 19 -15.810 5.311 -5.099 151 HD21 ASN 19 HD21 ASN 19 -18.006 3.351 -4.928 152 HD22 ASN 19 HD22 ASN 19 -17.745 2.264 -6.282 153 H ARG 20 H ARG 20 -12.450 2.634 -5.154 154 HA ARG 20 HA ARG 20 -13.108 0.401 -3.366 155 HB2 ARG 20 HB2 ARG 20 -12.678 0.339 -6.330 156 HB3 ARG 20 HB3 ARG 20 -12.459 -1.097 -5.346 157 HG2 ARG 20 HG2 ARG 20 -14.765 -0.859 -4.558 158 HG3 ARG 20 HG3 ARG 20 -14.980 0.498 -5.651 159 HD2 ARG 20 HD2 ARG 20 -14.145 -1.139 -7.407 160 HD3 ARG 20 HD3 ARG 20 -14.509 -2.389 -6.242 161 HE ARG 20 HE ARG 20 -16.789 -0.899 -6.368 162 HH11 ARG 20 HH11 ARG 20 -14.844 -2.639 -8.696 163 HH12 ARG 20 HH12 ARG 20 -16.179 -2.994 -9.741 164 HH21 ARG 20 HH21 ARG 20 -18.557 -1.372 -7.740 165 HH22 ARG 20 HH22 ARG 20 -18.294 -2.278 -9.196 166 H GLY 21 H GLY 21 -11.475 -0.422 -2.313 167 HA2 GLY 21 HA2 GLY 21 -8.957 -1.090 -2.835 168 HA3 GLY 21 HA3 GLY 21 -8.790 0.655 -2.699 169 H ILE 22 H ILE 22 -7.423 0.141 -0.670 170 HA ILE 22 HA ILE 22 -9.272 -0.331 1.561 171 HB ILE 22 HB ILE 22 -7.750 -1.582 2.721 172 HG12 ILE 22 HG12 ILE 22 -5.538 -0.426 1.056 173 HG13 ILE 22 HG13 ILE 22 -6.042 0.211 2.588 174 HG21 ILE 22 HG21 ILE 22 -7.164 -2.083 -0.185 175 HG22 ILE 22 HG22 ILE 22 -8.263 -2.961 0.882 176 HG23 ILE 22 HG23 ILE 22 -6.519 -3.099 1.106 177 HD11 ILE 22 HD11 ILE 22 -4.711 -2.381 2.005 178 HD12 ILE 22 HD12 ILE 22 -5.546 -2.077 3.527 179 HD13 ILE 22 HD13 ILE 22 -4.169 -1.072 3.067 180 H HIS 23 H HIS 23 -7.824 0.417 3.602 181 HA HIS 23 HA HIS 23 -6.755 3.038 3.137 182 HB2 HIS 23 HB2 HIS 23 -8.441 4.194 4.553 183 HB3 HIS 23 HB3 HIS 23 -9.092 3.601 3.045 184 HD1 HIS 23 HD1 HIS 23 -9.404 3.278 6.729 185 HD2 HIS 23 HD2 HIS 23 -10.901 1.513 3.296 186 HE1 HIS 23 HE1 HIS 23 -11.387 1.922 7.482 187 HE2 HIS 23 HE2 HIS 23 -12.298 0.871 5.378 188 H LEU 24 H LEU 24 -5.008 3.027 4.371 189 HA LEU 24 HA LEU 24 -5.101 1.898 7.062 190 HB2 LEU 24 HB2 LEU 24 -2.879 2.848 5.260 191 HB3 LEU 24 HB3 LEU 24 -2.648 2.690 6.943 192 HG LEU 24 HG LEU 24 -2.101 0.548 6.731 193 HD11 LEU 24 HD11 LEU 24 -4.383 -0.149 6.745 194 HD12 LEU 24 HD12 LEU 24 -3.357 -1.147 5.710 195 HD13 LEU 24 HD13 LEU 24 -4.447 0.046 4.989 196 HD21 LEU 24 HD21 LEU 24 -1.321 -0.186 4.688 197 HD22 LEU 24 HD22 LEU 24 -1.120 1.567 4.718 198 HD23 LEU 24 HD23 LEU 24 -2.446 0.847 3.803 199 H TYR 25 H TYR 25 -4.992 3.322 8.810 200 HA TYR 25 HA TYR 25 -4.853 5.250 9.994 201 HB2 TYR 25 HB2 TYR 25 -3.289 6.378 7.698 202 HB3 TYR 25 HB3 TYR 25 -3.249 6.931 9.353 203 HD1 TYR 25 HD1 TYR 25 -0.758 6.767 9.409 204 HD2 TYR 25 HD2 TYR 25 -3.170 3.357 8.584 205 HE1 TYR 25 HE1 TYR 25 1.189 5.299 9.782 206 HE2 TYR 25 HE2 TYR 25 -1.278 1.895 8.936 207 HH TYR 25 HH TYR 25 1.544 2.928 10.487 208 H THR 26 H THR 26 -4.526 7.532 7.535 209 HA THR 26 HA THR 26 -7.412 8.098 7.591 210 HB THR 26 HB THR 26 -6.949 10.381 7.386 211 HG1 THR 26 HG1 THR 26 -5.537 10.763 5.821 212 HG21 THR 26 HG21 THR 26 -4.602 9.235 8.899 213 HG22 THR 26 HG22 THR 26 -6.205 9.564 9.563 214 HG23 THR 26 HG23 THR 26 -5.184 10.897 9.022 215 H LYS 27 H LYS 27 -5.207 6.641 5.597 216 HA LYS 27 HA LYS 27 -6.043 8.145 3.202 217 HB2 LYS 27 HB2 LYS 27 -3.787 7.045 2.347 218 HB3 LYS 27 HB3 LYS 27 -3.835 8.583 3.183 219 HG2 LYS 27 HG2 LYS 27 -3.415 6.005 4.643 220 HG3 LYS 27 HG3 LYS 27 -2.092 6.892 3.887 221 HD2 LYS 27 HD2 LYS 27 -3.983 7.943 5.978 222 HD3 LYS 27 HD3 LYS 27 -2.300 7.521 6.240 223 HE2 LYS 27 HE2 LYS 27 -2.285 9.242 4.064 224 HE3 LYS 27 HE3 LYS 27 -3.474 9.928 5.169 225 HZ1 LYS 27 HZ1 LYS 27 -0.844 9.096 6.201 226 HZ2 LYS 27 HZ2 LYS 27 -1.927 10.239 6.821 227 HZ3 LYS 27 HZ3 LYS 27 -1.018 10.597 5.446 228 H PHE 28 H PHE 28 -5.154 6.709 1.210 229 HA PHE 28 HA PHE 28 -6.610 4.169 1.320 230 HB2 PHE 28 HB2 PHE 28 -8.213 5.901 0.822 231 HB3 PHE 28 HB3 PHE 28 -7.162 6.579 -0.401 232 HD1 PHE 28 HD1 PHE 28 -9.404 3.714 0.326 233 HD2 PHE 28 HD2 PHE 28 -7.054 5.756 -2.560 234 HE1 PHE 28 HE1 PHE 28 -10.456 2.390 -1.477 235 HE2 PHE 28 HE2 PHE 28 -8.081 4.448 -4.352 236 HZ PHE 28 HZ PHE 28 -9.780 2.759 -3.831 237 H ILE 29 H ILE 29 -5.350 2.679 0.352 238 HA ILE 29 HA ILE 29 -3.883 3.478 -2.068 239 HB ILE 29 HB ILE 29 -3.816 0.830 -0.594 240 HG12 ILE 29 HG12 ILE 29 -1.286 1.654 -0.453 241 HG13 ILE 29 HG13 ILE 29 -2.056 3.237 -0.537 242 HG21 ILE 29 HG21 ILE 29 -2.195 1.759 -2.955 243 HG22 ILE 29 HG22 ILE 29 -3.560 0.638 -3.029 244 HG23 ILE 29 HG23 ILE 29 -2.087 0.189 -2.157 245 HD11 ILE 29 HD11 ILE 29 -1.636 2.445 1.760 246 HD12 ILE 29 HD12 ILE 29 -2.755 1.116 1.472 247 HD13 ILE 29 HD13 ILE 29 -3.335 2.781 1.433 248 H CYS 30 H CYS 30 -4.894 3.120 -3.973 249 HA CYS 30 HA CYS 30 -7.467 1.972 -4.026 250 HB2 CYS 30 HB2 CYS 30 -7.522 2.379 -6.318 251 HB3 CYS 30 HB3 CYS 30 -6.411 3.597 -5.735 252 H LEU 31 H LEU 31 -8.149 0.135 -5.028 253 HA LEU 31 HA LEU 31 -7.128 -2.115 -3.898 254 HB2 LEU 31 HB2 LEU 31 -8.929 -3.180 -4.873 255 HB3 LEU 31 HB3 LEU 31 -9.442 -1.527 -4.828 256 HG LEU 31 HG LEU 31 -8.481 -1.490 -7.287 257 HD11 LEU 31 HD11 LEU 31 -8.892 -3.587 -8.456 258 HD12 LEU 31 HD12 LEU 31 -9.269 -4.377 -6.927 259 HD13 LEU 31 HD13 LEU 31 -7.636 -3.787 -7.233 260 HD21 LEU 31 HD21 LEU 31 -11.137 -2.695 -6.524 261 HD22 LEU 31 HD22 LEU 31 -10.733 -2.009 -8.097 262 HD23 LEU 31 HD23 LEU 31 -10.770 -0.976 -6.669 263 H ASP 32 H ASP 32 -6.077 -0.595 -6.708 264 HA ASP 32 HA ASP 32 -5.079 -2.947 -8.074 265 HB2 ASP 32 HB2 ASP 32 -5.984 -0.980 -9.276 266 HB3 ASP 32 HB3 ASP 32 -4.647 -0.061 -8.658 267 H CYS 33 H CYS 33 -3.871 -0.041 -6.586 268 HA CYS 33 HA CYS 33 -1.123 -0.757 -6.626 269 HB2 CYS 33 HB2 CYS 33 -2.602 1.253 -4.940 270 HB3 CYS 33 HB3 CYS 33 -0.877 1.041 -4.939 271 H GLU 34 H GLU 34 -3.783 -1.214 -4.499 272 HA GLU 34 HA GLU 34 -2.390 -2.018 -2.252 273 HB2 GLU 34 HB2 GLU 34 -4.819 -1.434 -2.390 274 HB3 GLU 34 HB3 GLU 34 -5.103 -2.986 -3.122 275 HG2 GLU 34 HG2 GLU 34 -3.807 -2.786 -0.482 276 HG3 GLU 34 HG3 GLU 34 -5.541 -2.717 -0.647 277 H ARG 35 H ARG 35 -3.529 -3.854 -5.043 278 HA ARG 35 HA ARG 35 -2.277 -6.231 -4.046 279 HB2 ARG 35 HB2 ARG 35 -2.869 -7.349 -6.077 280 HB3 ARG 35 HB3 ARG 35 -4.240 -6.394 -5.546 281 HG2 ARG 35 HG2 ARG 35 -3.711 -4.698 -7.211 282 HG3 ARG 35 HG3 ARG 35 -2.328 -5.646 -7.732 283 HD2 ARG 35 HD2 ARG 35 -5.196 -6.438 -7.881 284 HD3 ARG 35 HD3 ARG 35 -4.148 -6.047 -9.232 285 HE ARG 35 HE ARG 35 -2.861 -8.103 -8.046 286 HH11 ARG 35 HH11 ARG 35 -6.163 -7.690 -9.140 287 HH12 ARG 35 HH12 ARG 35 -6.395 -9.375 -9.475 288 HH21 ARG 35 HH21 ARG 35 -3.171 -10.320 -8.471 289 HH22 ARG 35 HH22 ARG 35 -4.695 -10.873 -9.096 290 H LYS 36 H LYS 36 -1.210 -3.571 -5.911 291 HA LYS 36 HA LYS 36 0.825 -4.747 -7.445 292 HB2 LYS 36 HB2 LYS 36 0.321 -1.998 -6.367 293 HB3 LYS 36 HB3 LYS 36 1.802 -2.367 -7.206 294 HG2 LYS 36 HG2 LYS 36 0.516 -2.988 -9.191 295 HG3 LYS 36 HG3 LYS 36 -0.943 -2.581 -8.330 296 HD2 LYS 36 HD2 LYS 36 -0.193 -0.314 -8.038 297 HD3 LYS 36 HD3 LYS 36 1.244 -0.733 -8.910 298 HE2 LYS 36 HE2 LYS 36 -1.555 -0.750 -9.962 299 HE3 LYS 36 HE3 LYS 36 -0.285 0.386 -10.386 300 HZ1 LYS 36 HZ1 LYS 36 -0.554 -1.254 -12.104 301 HZ2 LYS 36 HZ2 LYS 36 -0.314 -2.513 -11.005 302 HZ3 LYS 36 HZ3 LYS 36 0.954 -1.458 -11.372 303 H VAL 37 H VAL 37 0.584 -3.410 -4.281 304 HA VAL 37 HA VAL 37 3.250 -3.165 -3.666 305 HB VAL 37 HB VAL 37 2.528 -3.148 -1.322 306 HG11 VAL 37 HG11 VAL 37 2.115 -1.246 -3.143 307 HG12 VAL 37 HG12 VAL 37 1.559 -1.068 -1.476 308 HG13 VAL 37 HG13 VAL 37 0.429 -1.584 -2.732 309 HG21 VAL 37 HG21 VAL 37 -0.033 -3.204 -1.029 310 HG22 VAL 37 HG22 VAL 37 0.886 -4.708 -1.054 311 HG23 VAL 37 HG23 VAL 37 0.006 -4.192 -2.496 312 H ILE 38 H ILE 38 1.046 -5.777 -3.010 313 HA ILE 38 HA ILE 38 2.650 -7.491 -1.527 314 HB ILE 38 HB ILE 38 0.684 -8.545 -3.531 315 HG12 ILE 38 HG12 ILE 38 0.034 -6.905 -1.101 316 HG13 ILE 38 HG13 ILE 38 -0.526 -6.677 -2.742 317 HG21 ILE 38 HG21 ILE 38 0.105 -10.044 -1.625 318 HG22 ILE 38 HG22 ILE 38 1.414 -9.293 -0.714 319 HG23 ILE 38 HG23 ILE 38 1.769 -10.184 -2.190 320 HD11 ILE 38 HD11 ILE 38 -1.255 -9.168 -1.287 321 HD12 ILE 38 HD12 ILE 38 -2.105 -8.332 -2.587 322 HD13 ILE 38 HD13 ILE 38 -2.117 -7.669 -0.950 323 H SER 39 H SER 39 2.256 -6.869 -4.885 324 HA SER 39 HA SER 39 3.664 -9.158 -5.689 325 HB2 SER 39 HB2 SER 39 2.691 -6.773 -7.250 326 HB3 SER 39 HB3 SER 39 3.263 -8.272 -7.941 327 HG SER 39 HG SER 39 1.399 -8.859 -6.151 328 H THR 40 H THR 40 4.327 -5.777 -5.278 329 HA THR 40 HA THR 40 6.822 -5.785 -6.718 330 HB THR 40 HB THR 40 5.590 -3.692 -4.917 331 HG1 THR 40 HG1 THR 40 4.365 -4.294 -6.832 332 HG21 THR 40 HG21 THR 40 7.750 -3.382 -7.004 333 HG22 THR 40 HG22 THR 40 8.015 -3.383 -5.261 334 HG23 THR 40 HG23 THR 40 7.058 -2.104 -6.003 335 H SER 41 H SER 41 5.767 -6.044 -3.407 336 HA SER 41 HA SER 41 8.183 -5.335 -2.142 337 HB2 SER 41 HB2 SER 41 5.970 -5.230 -1.095 338 HB3 SER 41 HB3 SER 41 5.953 -6.976 -1.101 339 HG SER 41 HG SER 41 6.638 -5.956 0.903 340 H THR 42 H THR 42 7.448 -8.111 -3.873 341 HA THR 42 HA THR 42 8.386 -10.085 -2.072 342 HB THR 42 HB THR 42 8.415 -11.540 -4.109 343 HG1 THR 42 HG1 THR 42 7.527 -10.487 -6.035 344 HG21 THR 42 HG21 THR 42 5.957 -9.818 -3.751 345 HG22 THR 42 HG22 THR 42 6.358 -11.260 -2.815 346 HG23 THR 42 HG23 THR 42 5.996 -11.397 -4.535 347 H SER 43 H SER 43 9.864 -8.557 -4.937 348 HA SER 43 HA SER 43 12.032 -8.336 -5.613 349 HB2 SER 43 HB2 SER 43 12.477 -8.085 -2.630 350 HB3 SER 43 HB3 SER 43 13.510 -7.433 -3.900 351 HG SER 43 HG SER 43 10.790 -6.726 -3.480 352 H ASP 44 H ASP 44 14.476 -9.004 -4.550 353 HA ASP 44 HA ASP 44 14.381 -11.744 -3.607 354 HB2 ASP 44 HB2 ASP 44 15.440 -10.983 -6.275 355 HB3 ASP 44 HB3 ASP 44 16.388 -12.135 -5.341 356 HA PRO 45 HA PRO 45 18.480 -9.855 -2.338 357 HB2 PRO 45 HB2 PRO 45 19.716 -7.942 -3.715 358 HB3 PRO 45 HB3 PRO 45 19.680 -9.592 -4.316 359 HG2 PRO 45 HG2 PRO 45 18.140 -7.213 -5.162 360 HG3 PRO 45 HG3 PRO 45 18.789 -8.545 -6.105 361 HD2 PRO 45 HD2 PRO 45 16.134 -8.273 -5.188 362 HD3 PRO 45 HD3 PRO 45 16.857 -9.723 -5.907 363 H ASP 46 H ASP 46 19.330 -8.030 -1.114 364 HA ASP 46 HA ASP 46 18.245 -5.449 -1.108 365 HB2 ASP 46 HB2 ASP 46 16.206 -6.572 -0.226 366 HB3 ASP 46 HB3 ASP 46 17.154 -7.180 1.129 367 H TYR 47 H TYR 47 19.192 -7.854 1.325 368 HA TYR 47 HA TYR 47 21.059 -5.965 2.491 369 HB2 TYR 47 HB2 TYR 47 20.324 -8.764 3.299 370 HB3 TYR 47 HB3 TYR 47 21.388 -7.706 4.209 371 HD1 TYR 47 HD1 TYR 47 20.439 -5.596 5.200 372 HD2 TYR 47 HD2 TYR 47 17.974 -8.633 3.526 373 HE1 TYR 47 HE1 TYR 47 18.502 -4.676 6.401 374 HE2 TYR 47 HE2 TYR 47 16.029 -7.719 4.720 375 HH TYR 47 HH TYR 47 16.008 -4.673 6.136 376 H ALA 48 H ALA 48 22.842 -5.755 1.273 377 HA ALA 48 HA ALA 48 24.126 -8.161 0.211 378 HB1 ALA 48 HB1 ALA 48 23.762 -6.325 -1.360 379 HB2 ALA 48 HB2 ALA 48 25.483 -6.626 -1.121 380 HB3 ALA 48 HB3 ALA 48 24.711 -5.250 -0.334 381 H1 SER 0 H1 SER 0 -1.982 14.008 -5.416 382 H2 SER 0 H2 SER 0 -2.987 15.169 -6.137 383 H3 SER 0 H3 SER 0 -2.053 15.583 -4.793 384 HA SER 0 HA SER 0 -0.970 14.777 -7.418 385 HB2 SER 0 HB2 SER 0 -0.276 17.257 -7.433 386 HB3 SER 0 HB3 SER 0 -1.970 16.893 -7.761 387 HG SER 0 HG SER 0 -0.791 17.991 -5.454 388 H MET 1 H MET 1 0.047 13.347 -5.491 389 HA MET 1 HA MET 1 2.220 14.801 -4.185 390 HB2 MET 1 HB2 MET 1 1.034 13.230 -2.787 391 HB3 MET 1 HB3 MET 1 1.292 11.934 -3.949 392 HG2 MET 1 HG2 MET 1 3.772 12.265 -3.565 393 HG3 MET 1 HG3 MET 1 3.327 13.286 -2.201 394 HE1 MET 1 HE1 MET 1 1.543 10.794 0.189 395 HE2 MET 1 HE2 MET 1 0.822 11.903 -0.977 396 HE3 MET 1 HE3 MET 1 2.196 12.420 -0.001 397 H ASP 2 H ASP 2 4.166 14.957 -5.090 398 HA ASP 2 HA ASP 2 5.119 12.754 -6.780 399 HB2 ASP 2 HB2 ASP 2 5.520 15.033 -7.650 400 HB3 ASP 2 HB3 ASP 2 6.416 15.431 -6.189 401 H GLU 3 H GLU 3 6.758 14.865 -4.478 402 HA GLU 3 HA GLU 3 8.326 14.433 -2.888 403 HB2 GLU 3 HB2 GLU 3 5.993 12.742 -1.995 404 HB3 GLU 3 HB3 GLU 3 7.348 13.186 -0.962 405 HG2 GLU 3 HG2 GLU 3 6.809 15.577 -1.400 406 HG3 GLU 3 HG3 GLU 3 5.368 15.043 -2.259 407 H THR 4 H THR 4 9.337 13.166 -4.839 408 HA THR 4 HA THR 4 9.654 10.366 -4.542 409 HB THR 4 HB THR 4 11.816 11.006 -5.972 410 HG1 THR 4 HG1 THR 4 10.102 13.180 -6.612 411 HG21 THR 4 HG21 THR 4 9.911 9.717 -6.797 412 HG22 THR 4 HG22 THR 4 10.405 10.924 -7.985 413 HG23 THR 4 HG23 THR 4 8.977 11.202 -6.989 414 H VAL 5 H VAL 5 11.789 13.100 -3.787 415 HA VAL 5 HA VAL 5 13.544 13.397 -2.423 416 HB VAL 5 HB VAL 5 13.281 12.856 -0.119 417 HG11 VAL 5 HG11 VAL 5 10.640 13.475 -1.426 418 HG12 VAL 5 HG12 VAL 5 11.891 14.632 -0.969 419 HG13 VAL 5 HG13 VAL 5 11.018 13.737 0.275 420 HG21 VAL 5 HG21 VAL 5 11.495 11.403 0.702 421 HG22 VAL 5 HG22 VAL 5 12.668 10.523 -0.278 422 HG23 VAL 5 HG23 VAL 5 11.104 10.960 -0.960 423 H LYS 6 H LYS 6 15.115 12.222 -0.732 424 HA LYS 6 HA LYS 6 16.091 9.794 -2.069 425 HB2 LYS 6 HB2 LYS 6 17.698 12.223 -1.377 426 HB3 LYS 6 HB3 LYS 6 18.396 10.707 -1.896 427 HG2 LYS 6 HG2 LYS 6 17.264 10.920 -4.022 428 HG3 LYS 6 HG3 LYS 6 16.524 12.430 -3.501 429 HD2 LYS 6 HD2 LYS 6 18.743 13.432 -3.273 430 HD3 LYS 6 HD3 LYS 6 19.480 11.917 -3.780 431 HE2 LYS 6 HE2 LYS 6 18.382 12.082 -5.940 432 HE3 LYS 6 HE3 LYS 6 17.611 13.579 -5.432 433 HZ1 LYS 6 HZ1 LYS 6 20.541 13.179 -5.657 434 HZ2 LYS 6 HZ2 LYS 6 19.757 14.625 -5.269 435 HZ3 LYS 6 HZ3 LYS 6 19.579 13.956 -6.810 436 H LEU 7 H LEU 7 17.728 8.615 -0.837 437 HA LEU 7 HA LEU 7 18.446 7.508 0.995 438 HB2 LEU 7 HB2 LEU 7 17.797 10.033 2.439 439 HB3 LEU 7 HB3 LEU 7 18.643 8.690 3.152 440 HG LEU 7 HG LEU 7 19.619 10.361 0.836 441 HD11 LEU 7 HD11 LEU 7 19.630 11.578 2.956 442 HD12 LEU 7 HD12 LEU 7 21.268 11.202 2.423 443 HD13 LEU 7 HD13 LEU 7 20.522 10.258 3.712 444 HD21 LEU 7 HD21 LEU 7 20.393 8.075 0.690 445 HD22 LEU 7 HD22 LEU 7 20.917 8.122 2.370 446 HD23 LEU 7 HD23 LEU 7 21.718 9.132 1.168 447 H ASN 8 H ASN 8 15.966 9.429 2.595 448 HA ASN 8 HA ASN 8 14.472 7.008 3.247 449 HB2 ASN 8 HB2 ASN 8 12.890 9.033 4.117 450 HB3 ASN 8 HB3 ASN 8 14.143 8.345 5.111 451 HD21 ASN 8 HD21 ASN 8 15.963 9.532 5.507 452 HD22 ASN 8 HD22 ASN 8 16.058 11.210 5.128 453 H HIS 9 H HIS 9 12.315 6.720 2.546 454 HA HIS 9 HA HIS 9 11.260 8.815 0.786 455 HB2 HIS 9 HB2 HIS 9 11.901 6.584 -0.335 456 HB3 HIS 9 HB3 HIS 9 10.456 5.948 0.414 457 HD1 HIS 9 HD1 HIS 9 10.720 6.040 -2.632 458 HD2 HIS 9 HD2 HIS 9 8.996 9.082 -0.387 459 HE1 HIS 9 HE1 HIS 9 9.207 7.276 -4.214 460 HE2 HIS 9 HE2 HIS 9 8.323 9.222 -2.876 461 H THR 10 H THR 10 9.288 9.408 1.251 462 HA THR 10 HA THR 10 8.528 8.849 3.965 463 HB THR 10 HB THR 10 7.182 10.690 1.968 464 HG1 THR 10 HG1 THR 10 8.578 12.280 2.829 465 HG21 THR 10 HG21 THR 10 5.833 10.252 3.963 466 HG22 THR 10 HG22 THR 10 6.435 11.910 3.964 467 HG23 THR 10 HG23 THR 10 7.195 10.696 4.992 468 H CYS 11 H CYS 11 6.923 7.631 4.679 469 HA CYS 11 HA CYS 11 5.426 5.968 2.922 470 HB2 CYS 11 HB2 CYS 11 5.975 5.226 5.210 471 HB3 CYS 11 HB3 CYS 11 5.008 6.533 5.877 472 H VAL 12 H VAL 12 3.803 6.599 1.738 473 HA VAL 12 HA VAL 12 2.354 8.966 1.919 474 HB VAL 12 HB VAL 12 0.618 7.778 0.565 475 HG11 VAL 12 HG11 VAL 12 2.078 7.319 -1.366 476 HG12 VAL 12 HG12 VAL 12 3.478 7.419 -0.297 477 HG13 VAL 12 HG13 VAL 12 2.468 8.840 -0.563 478 HG21 VAL 12 HG21 VAL 12 2.445 5.421 0.973 479 HG22 VAL 12 HG22 VAL 12 1.128 5.490 -0.197 480 HG23 VAL 12 HG23 VAL 12 0.779 5.571 1.530 481 H ILE 13 H ILE 13 2.260 6.259 3.901 482 HA ILE 13 HA ILE 13 -0.512 6.599 4.709 483 HB ILE 13 HB ILE 13 1.377 4.549 5.773 484 HG12 ILE 13 HG12 ILE 13 1.427 4.491 3.279 485 HG13 ILE 13 HG13 ILE 13 0.804 3.025 4.026 486 HG21 ILE 13 HG21 ILE 13 -0.649 3.261 6.083 487 HG22 ILE 13 HG22 ILE 13 -1.591 4.577 5.378 488 HG23 ILE 13 HG23 ILE 13 -0.737 4.819 6.903 489 HD11 ILE 13 HD11 ILE 13 -0.908 5.219 2.945 490 HD12 ILE 13 HD12 ILE 13 -1.413 3.623 3.499 491 HD13 ILE 13 HD13 ILE 13 -0.430 3.784 2.044 492 H CYS 14 H CYS 14 2.627 6.147 6.271 493 HA CYS 14 HA CYS 14 1.630 7.075 8.799 494 HB2 CYS 14 HB2 CYS 14 4.401 6.403 7.933 495 HB3 CYS 14 HB3 CYS 14 3.942 6.707 9.577 496 H ASP 15 H ASP 15 3.018 8.516 6.059 497 HA ASP 15 HA ASP 15 3.981 10.488 5.535 498 HB2 ASP 15 HB2 ASP 15 2.612 11.301 8.073 499 HB3 ASP 15 HB3 ASP 15 3.497 12.425 7.059 500 H GLN 16 H GLN 16 5.665 8.715 6.558 501 HA GLN 16 HA GLN 16 7.500 10.267 8.223 502 HB2 GLN 16 HB2 GLN 16 6.876 7.331 8.522 503 HB3 GLN 16 HB3 GLN 16 8.133 8.186 9.390 504 HG2 GLN 16 HG2 GLN 16 5.194 8.664 9.594 505 HG3 GLN 16 HG3 GLN 16 6.207 7.883 10.791 506 HE21 GLN 16 HE21 GLN 16 4.522 10.178 11.108 507 HE22 GLN 16 HE22 GLN 16 5.551 11.468 11.612 508 H GLU 17 H GLU 17 9.629 10.047 7.759 509 HA GLU 17 HA GLU 17 10.343 9.220 5.109 510 HB2 GLU 17 HB2 GLU 17 11.964 10.370 7.381 511 HB3 GLU 17 HB3 GLU 17 12.577 10.101 5.752 512 HG2 GLU 17 HG2 GLU 17 11.109 11.717 4.841 513 HG3 GLU 17 HG3 GLU 17 10.197 11.808 6.336 514 H LYS 18 H LYS 18 10.322 7.096 4.895 515 HA LYS 18 HA LYS 18 11.952 5.480 6.736 516 HB2 LYS 18 HB2 LYS 18 9.999 4.248 4.920 517 HB3 LYS 18 HB3 LYS 18 10.530 3.713 6.490 518 HG2 LYS 18 HG2 LYS 18 8.611 5.938 5.892 519 HG3 LYS 18 HG3 LYS 18 8.242 4.383 6.624 520 HD2 LYS 18 HD2 LYS 18 10.229 6.177 7.914 521 HD3 LYS 18 HD3 LYS 18 8.526 6.506 8.094 522 HE2 LYS 18 HE2 LYS 18 9.327 5.246 9.967 523 HE3 LYS 18 HE3 LYS 18 8.234 4.288 9.001 524 HZ1 LYS 18 HZ1 LYS 18 10.066 3.088 8.071 525 HZ2 LYS 18 HZ2 LYS 18 10.212 3.056 9.753 526 HZ3 LYS 18 HZ3 LYS 18 11.182 4.095 8.842 527 H ASN 19 H ASN 19 13.504 4.128 5.916 528 HA ASN 19 HA ASN 19 14.065 4.542 3.072 529 HB2 ASN 19 HB2 ASN 19 16.330 3.994 3.511 530 HB3 ASN 19 HB3 ASN 19 15.823 5.051 4.817 531 HD21 ASN 19 HD21 ASN 19 17.983 3.049 4.648 532 HD22 ASN 19 HD22 ASN 19 17.706 1.966 6.006 533 H ARG 20 H ARG 20 12.419 2.429 4.892 534 HA ARG 20 HA ARG 20 13.035 0.182 3.106 535 HB2 ARG 20 HB2 ARG 20 12.610 0.131 6.072 536 HB3 ARG 20 HB3 ARG 20 12.366 -1.302 5.091 537 HG2 ARG 20 HG2 ARG 20 14.674 -1.103 4.301 538 HG3 ARG 20 HG3 ARG 20 14.912 0.255 5.386 539 HD2 ARG 20 HD2 ARG 20 14.052 -1.362 7.150 540 HD3 ARG 20 HD3 ARG 20 14.400 -2.621 5.990 541 HE ARG 20 HE ARG 20 16.702 -1.162 6.116 542 HH11 ARG 20 HH11 ARG 20 14.732 -2.877 8.443 543 HH12 ARG 20 HH12 ARG 20 16.066 -3.257 9.485 544 HH21 ARG 20 HH21 ARG 20 18.465 -1.663 7.479 545 HH22 ARG 20 HH22 ARG 20 18.191 -2.560 8.937 546 H GLY 21 H GLY 21 11.387 -0.624 2.060 547 HA2 GLY 21 HA2 GLY 21 8.860 -1.242 2.586 548 HA3 GLY 21 HA3 GLY 21 8.724 0.505 2.448 549 H ILE 22 H ILE 22 7.341 0.006 0.424 550 HA ILE 22 HA ILE 22 9.176 -0.504 -1.806 551 HB ILE 22 HB ILE 22 7.632 -1.731 -2.964 552 HG12 ILE 22 HG12 ILE 22 5.443 -0.534 -1.295 553 HG13 ILE 22 HG13 ILE 22 5.954 0.091 -2.831 554 HG21 ILE 22 HG21 ILE 22 7.042 -2.213 -0.054 555 HG22 ILE 22 HG22 ILE 22 8.125 -3.113 -1.120 556 HG23 ILE 22 HG23 ILE 22 6.379 -3.222 -1.341 557 HD11 ILE 22 HD11 ILE 22 4.580 -2.476 -2.237 558 HD12 ILE 22 HD12 ILE 22 5.418 -2.191 -3.761 559 HD13 ILE 22 HD13 ILE 22 4.059 -1.161 -3.301 560 H HIS 23 H HIS 23 7.728 0.260 -3.849 561 HA HIS 23 HA HIS 23 6.715 2.901 -3.392 562 HB2 HIS 23 HB2 HIS 23 8.417 4.023 -4.820 563 HB3 HIS 23 HB3 HIS 23 9.062 3.427 -3.310 564 HD1 HIS 23 HD1 HIS 23 9.367 3.086 -6.991 565 HD2 HIS 23 HD2 HIS 23 10.831 1.301 -3.555 566 HE1 HIS 23 HE1 HIS 23 11.313 1.684 -7.744 567 HE2 HIS 23 HE2 HIS 23 12.224 0.645 -5.635 568 H LEU 24 H LEU 24 4.965 2.917 -4.621 569 HA LEU 24 HA LEU 24 5.033 1.777 -7.308 570 HB2 LEU 24 HB2 LEU 24 2.829 2.768 -5.508 571 HB3 LEU 24 HB3 LEU 24 2.595 2.610 -7.190 572 HG LEU 24 HG LEU 24 2.011 0.479 -6.967 573 HD11 LEU 24 HD11 LEU 24 4.284 -0.255 -6.984 574 HD12 LEU 24 HD12 LEU 24 3.246 -1.234 -5.944 575 HD13 LEU 24 HD13 LEU 24 4.355 -0.055 -5.230 576 HD21 LEU 24 HD21 LEU 24 1.224 -0.235 -4.919 577 HD22 LEU 24 HD22 LEU 24 1.054 1.521 -4.957 578 HD23 LEU 24 HD23 LEU 24 2.369 0.782 -4.042 579 H TYR 25 H TYR 25 4.950 3.196 -9.059 580 HA TYR 25 HA TYR 25 4.832 5.121 -10.252 581 HB2 TYR 25 HB2 TYR 25 3.292 6.281 -7.956 582 HB3 TYR 25 HB3 TYR 25 3.259 6.830 -9.614 583 HD1 TYR 25 HD1 TYR 25 0.774 6.706 -9.668 584 HD2 TYR 25 HD2 TYR 25 3.124 3.258 -8.834 585 HE1 TYR 25 HE1 TYR 25 -1.200 5.273 -10.034 586 HE2 TYR 25 HE2 TYR 25 1.204 1.828 -9.177 587 HH TYR 25 HH TYR 25 -1.601 2.912 -10.733 588 H THR 26 H THR 26 4.551 7.417 -7.800 589 HA THR 26 HA THR 26 7.446 7.936 -7.867 590 HB THR 26 HB THR 26 7.023 10.228 -7.670 591 HG1 THR 26 HG1 THR 26 5.627 10.637 -6.097 592 HG21 THR 26 HG21 THR 26 4.651 9.119 -9.170 593 HG22 THR 26 HG22 THR 26 6.258 9.416 -9.841 594 HG23 THR 26 HG23 THR 26 5.262 10.769 -9.301 595 H LYS 27 H LYS 27 5.218 6.525 -5.864 596 HA LYS 27 HA LYS 27 6.090 8.019 -3.475 597 HB2 LYS 27 HB2 LYS 27 3.817 6.961 -2.610 598 HB3 LYS 27 HB3 LYS 27 3.888 8.495 -3.453 599 HG2 LYS 27 HG2 LYS 27 3.424 5.919 -4.900 600 HG3 LYS 27 HG3 LYS 27 2.119 6.830 -4.143 601 HD2 LYS 27 HD2 LYS 27 4.019 7.843 -6.244 602 HD3 LYS 27 HD3 LYS 27 2.328 7.448 -6.500 603 HE2 LYS 27 HE2 LYS 27 2.348 9.176 -4.329 604 HE3 LYS 27 HE3 LYS 27 3.545 9.839 -5.441 605 HZ1 LYS 27 HZ1 LYS 27 0.899 9.042 -6.462 606 HZ2 LYS 27 HZ2 LYS 27 1.997 10.164 -7.085 607 HZ3 LYS 27 HZ3 LYS 27 1.096 10.542 -5.710 608 H PHE 28 H PHE 28 5.185 6.612 -1.479 609 HA PHE 28 HA PHE 28 6.593 4.041 -1.579 610 HB2 PHE 28 HB2 PHE 28 8.225 5.748 -1.089 611 HB3 PHE 28 HB3 PHE 28 7.187 6.448 0.132 612 HD1 PHE 28 HD1 PHE 28 9.379 3.543 -0.589 613 HD2 PHE 28 HD2 PHE 28 7.068 5.634 2.294 614 HE1 PHE 28 HE1 PHE 28 10.412 2.208 1.215 615 HE2 PHE 28 HE2 PHE 28 8.078 4.316 4.089 616 HZ PHE 28 HZ PHE 28 9.749 2.597 3.570 617 H ILE 29 H ILE 29 5.308 2.578 -0.605 618 HA ILE 29 HA ILE 29 3.862 3.410 1.816 619 HB ILE 29 HB ILE 29 3.745 0.757 0.352 620 HG12 ILE 29 HG12 ILE 29 1.227 1.626 0.212 621 HG13 ILE 29 HG13 ILE 29 2.026 3.194 0.289 622 HG21 ILE 29 HG21 ILE 29 2.146 1.722 2.713 623 HG22 ILE 29 HG22 ILE 29 3.491 0.578 2.789 624 HG23 ILE 29 HG23 ILE 29 2.009 0.151 1.922 625 HD11 ILE 29 HD11 ILE 29 1.588 2.400 -2.005 626 HD12 ILE 29 HD12 ILE 29 2.684 1.054 -1.713 627 HD13 ILE 29 HD13 ILE 29 3.292 2.709 -1.681 628 H CYS 30 H CYS 30 4.868 3.040 3.718 629 HA CYS 30 HA CYS 30 7.420 1.848 3.772 630 HB2 CYS 30 HB2 CYS 30 7.487 2.272 6.057 631 HB3 CYS 30 HB3 CYS 30 6.393 3.499 5.475 632 H LEU 31 H LEU 31 8.074 0.009 4.779 633 HA LEU 31 HA LEU 31 7.014 -2.230 3.660 634 HB2 LEU 31 HB2 LEU 31 8.798 -3.325 4.637 635 HB3 LEU 31 HB3 LEU 31 9.342 -1.678 4.585 636 HG LEU 31 HG LEU 31 8.385 -1.618 7.047 637 HD11 LEU 31 HD11 LEU 31 8.762 -3.721 8.219 638 HD12 LEU 31 HD12 LEU 31 9.123 -4.522 6.691 639 HD13 LEU 31 HD13 LEU 31 7.502 -3.902 6.998 640 HD21 LEU 31 HD21 LEU 31 11.017 -2.869 6.281 641 HD22 LEU 31 HD22 LEU 31 10.630 -2.172 7.854 642 HD23 LEU 31 HD23 LEU 31 10.681 -1.144 6.422 643 H ASP 32 H ASP 32 5.993 -0.683 6.464 644 HA ASP 32 HA ASP 32 4.963 -3.014 7.842 645 HB2 ASP 32 HB2 ASP 32 5.904 -1.061 9.036 646 HB3 ASP 32 HB3 ASP 32 4.583 -0.120 8.418 647 H CYS 33 H CYS 33 3.795 -0.095 6.351 648 HA CYS 33 HA CYS 33 1.037 -0.765 6.394 649 HB2 CYS 33 HB2 CYS 33 2.547 1.214 4.699 650 HB3 CYS 33 HB3 CYS 33 0.817 1.031 4.702 651 H GLU 34 H GLU 34 3.685 -1.274 4.262 652 HA GLU 34 HA GLU 34 2.274 -2.062 2.022 653 HB2 GLU 34 HB2 GLU 34 4.714 -1.520 2.152 654 HB3 GLU 34 HB3 GLU 34 4.973 -3.074 2.891 655 HG2 GLU 34 HG2 GLU 34 3.676 -2.858 0.250 656 HG3 GLU 34 HG3 GLU 34 5.413 -2.826 0.414 657 H ARG 35 H ARG 35 3.390 -3.908 4.817 658 HA ARG 35 HA ARG 35 2.095 -6.266 3.833 659 HB2 ARG 35 HB2 ARG 35 2.678 -7.387 5.865 660 HB3 ARG 35 HB3 ARG 35 4.062 -6.453 5.327 661 HG2 ARG 35 HG2 ARG 35 3.563 -4.746 6.988 662 HG3 ARG 35 HG3 ARG 35 2.166 -5.669 7.514 663 HD2 ARG 35 HD2 ARG 35 5.019 -6.508 7.662 664 HD3 ARG 35 HD3 ARG 35 3.978 -6.095 9.012 665 HE ARG 35 HE ARG 35 2.657 -8.130 7.841 666 HH11 ARG 35 HH11 ARG 35 5.966 -7.772 8.917 667 HH12 ARG 35 HH12 ARG 35 6.170 -9.458 9.261 668 HH21 ARG 35 HH21 ARG 35 2.923 -10.348 8.274 669 HH22 ARG 35 HH22 ARG 35 4.434 -10.931 8.895 670 H LYS 36 H LYS 36 1.078 -3.584 5.691 671 HA LYS 36 HA LYS 36 -0.974 -4.718 7.231 672 HB2 LYS 36 HB2 LYS 36 -0.426 -1.981 6.142 673 HB3 LYS 36 HB3 LYS 36 -1.912 -2.323 6.985 674 HG2 LYS 36 HG2 LYS 36 -0.633 -2.959 8.968 675 HG3 LYS 36 HG3 LYS 36 0.831 -2.580 8.104 676 HD2 LYS 36 HD2 LYS 36 0.121 -0.300 7.806 677 HD3 LYS 36 HD3 LYS 36 -1.322 -0.693 8.682 678 HE2 LYS 36 HE2 LYS 36 1.478 -0.755 9.729 679 HE3 LYS 36 HE3 LYS 36 0.227 0.404 10.154 680 HZ1 LYS 36 HZ1 LYS 36 0.466 -1.236 11.877 681 HZ2 LYS 36 HZ2 LYS 36 0.209 -2.495 10.777 682 HZ3 LYS 36 HZ3 LYS 36 -1.045 -1.420 11.139 683 H VAL 37 H VAL 37 -0.717 -3.396 4.061 684 HA VAL 37 HA VAL 37 -3.380 -3.109 3.451 685 HB VAL 37 HB VAL 37 -2.664 -3.111 1.106 686 HG11 VAL 37 HG11 VAL 37 -2.214 -1.211 2.922 687 HG12 VAL 37 HG12 VAL 37 -1.659 -1.048 1.252 688 HG13 VAL 37 HG13 VAL 37 -0.534 -1.579 2.507 689 HG21 VAL 37 HG21 VAL 37 -0.105 -3.212 0.807 690 HG22 VAL 37 HG22 VAL 37 -1.050 -4.700 0.840 691 HG23 VAL 37 HG23 VAL 37 -0.157 -4.194 2.278 692 H ILE 38 H ILE 38 -1.222 -5.760 2.802 693 HA ILE 38 HA ILE 38 -2.859 -7.452 1.326 694 HB ILE 38 HB ILE 38 -0.905 -8.532 3.329 695 HG12 ILE 38 HG12 ILE 38 -0.233 -6.912 0.891 696 HG13 ILE 38 HG13 ILE 38 0.332 -6.683 2.529 697 HG21 ILE 38 HG21 ILE 38 -0.355 -10.045 1.427 698 HG22 ILE 38 HG22 ILE 38 -1.652 -9.274 0.516 699 HG23 ILE 38 HG23 ILE 38 -2.021 -10.155 1.995 700 HD11 ILE 38 HD11 ILE 38 1.021 -9.194 1.086 701 HD12 ILE 38 HD12 ILE 38 1.883 -8.366 2.384 702 HD13 ILE 38 HD13 ILE 38 1.908 -7.710 0.745 703 H SER 39 H SER 39 -2.446 -6.824 4.683 704 HA SER 39 HA SER 39 -3.893 -9.088 5.493 705 HB2 SER 39 HB2 SER 39 -2.864 -6.720 7.043 706 HB3 SER 39 HB3 SER 39 -3.476 -8.200 7.745 707 HG SER 39 HG SER 39 -1.624 -8.826 5.940 708 H THR 40 H THR 40 -4.499 -5.697 5.071 709 HA THR 40 HA THR 40 -6.989 -5.658 6.519 710 HB THR 40 HB THR 40 -5.725 -3.593 4.708 711 HG1 THR 40 HG1 THR 40 -4.499 -4.203 6.617 712 HG21 THR 40 HG21 THR 40 -7.869 -3.245 6.802 713 HG22 THR 40 HG22 THR 40 -8.143 -3.246 5.059 714 HG23 THR 40 HG23 THR 40 -7.160 -1.981 5.795 715 H SER 41 H SER 41 -5.948 -5.947 3.206 716 HA SER 41 HA SER 41 -8.354 -5.198 1.948 717 HB2 SER 41 HB2 SER 41 -6.137 -5.135 0.900 718 HB3 SER 41 HB3 SER 41 -6.160 -6.881 0.897 719 HG SER 41 HG SER 41 -6.827 -5.867 -1.101 720 H THR 42 H THR 42 -7.660 -7.981 3.683 721 HA THR 42 HA THR 42 -8.636 -9.946 1.892 722 HB THR 42 HB THR 42 -8.684 -11.398 3.928 723 HG1 THR 42 HG1 THR 42 -7.763 -10.336 5.855 724 HG21 THR 42 HG21 THR 42 -6.202 -9.708 3.571 725 HG22 THR 42 HG22 THR 42 -6.623 -11.146 2.640 726 HG23 THR 42 HG23 THR 42 -6.263 -11.284 4.360 727 H SER 43 H SER 43 -10.083 -8.388 4.759 728 HA SER 43 HA SER 43 -12.246 -8.130 5.433 729 HB2 SER 43 HB2 SER 43 -12.685 -7.867 2.452 730 HB3 SER 43 HB3 SER 43 -13.710 -7.201 3.722 731 HG SER 43 HG SER 43 -10.984 -6.530 3.275 732 H ASP 44 H ASP 44 -14.702 -8.755 4.378 733 HA ASP 44 HA ASP 44 -14.654 -11.500 3.444 734 HB2 ASP 44 HB2 ASP 44 -15.700 -10.707 6.111 735 HB3 ASP 44 HB3 ASP 44 -16.661 -11.854 5.186 736 HA PRO 45 HA PRO 45 -18.733 -9.551 2.185 737 HB2 PRO 45 HB2 PRO 45 -19.907 -7.591 3.549 738 HB3 PRO 45 HB3 PRO 45 -19.909 -9.211 4.167 739 HG2 PRO 45 HG2 PRO 45 -18.366 -6.947 4.997 740 HG3 PRO 45 HG3 PRO 45 -18.991 -8.249 5.969 741 HD2 PRO 45 HD2 PRO 45 -16.350 -7.984 5.009 742 HD3 PRO 45 HD3 PRO 45 -17.091 -9.417 5.732 743 H ASP 46 H ASP 46 -19.540 -7.725 0.918 744 HA ASP 46 HA ASP 46 -18.414 -5.154 0.932 745 HB2 ASP 46 HB2 ASP 46 -16.399 -6.308 0.050 746 HB3 ASP 46 HB3 ASP 46 -17.359 -6.909 -1.300 747 H TYR 47 H TYR 47 -19.409 -7.543 -1.493 748 HA TYR 47 HA TYR 47 -21.247 -5.628 -2.662 749 HB2 TYR 47 HB2 TYR 47 -20.561 -8.443 -3.461 750 HB3 TYR 47 HB3 TYR 47 -21.608 -7.370 -4.372 751 HD1 TYR 47 HD1 TYR 47 -20.627 -5.283 -5.374 752 HD2 TYR 47 HD2 TYR 47 -18.210 -8.353 -3.693 753 HE1 TYR 47 HE1 TYR 47 -18.677 -4.399 -6.581 754 HE2 TYR 47 HE2 TYR 47 -16.253 -7.478 -4.895 755 HH TYR 47 HH TYR 47 -16.176 -4.440 -6.301 756 H ALA 48 H ALA 48 -23.024 -5.386 -1.441 757 HA ALA 48 HA ALA 48 -24.349 -7.766 -0.368 758 HB1 ALA 48 HB1 ALA 48 -23.949 -5.931 1.197 759 HB2 ALA 48 HB2 ALA 48 -25.676 -6.201 0.962 760 HB3 ALA 48 HB3 ALA 48 -24.880 -4.843 0.167 Start of MODEL 15 1 H1 SER 0 H1 SER 0 -3.037 19.221 7.193 2 H2 SER 0 H2 SER 0 -3.508 18.862 5.607 3 H3 SER 0 H3 SER 0 -3.735 20.422 6.227 4 HA SER 0 HA SER 0 -1.866 20.344 4.722 5 HB2 SER 0 HB2 SER 0 -1.866 21.949 6.600 6 HB3 SER 0 HB3 SER 0 -1.057 20.756 7.612 7 HG SER 0 HG SER 0 -0.040 21.931 5.232 8 H MET 1 H MET 1 -0.877 18.663 7.724 9 HA MET 1 HA MET 1 1.216 17.274 6.310 10 HB2 MET 1 HB2 MET 1 0.224 16.963 9.152 11 HB3 MET 1 HB3 MET 1 1.680 16.228 8.499 12 HG2 MET 1 HG2 MET 1 2.684 18.384 8.176 13 HG3 MET 1 HG3 MET 1 1.194 19.192 8.662 14 HE1 MET 1 HE1 MET 1 2.894 15.993 10.254 15 HE2 MET 1 HE2 MET 1 3.879 16.742 11.510 16 HE3 MET 1 HE3 MET 1 4.247 17.032 9.809 17 H ASP 2 H ASP 2 -1.324 15.986 8.435 18 HA ASP 2 HA ASP 2 -1.376 13.532 6.874 19 HB2 ASP 2 HB2 ASP 2 -1.320 13.432 9.349 20 HB3 ASP 2 HB3 ASP 2 -2.866 14.268 9.403 21 H GLU 3 H GLU 3 -2.332 14.195 4.987 22 HA GLU 3 HA GLU 3 -4.609 15.874 4.889 23 HB2 GLU 3 HB2 GLU 3 -3.205 14.220 2.819 24 HB3 GLU 3 HB3 GLU 3 -4.621 15.201 2.451 25 HG2 GLU 3 HG2 GLU 3 -2.056 16.241 3.629 26 HG3 GLU 3 HG3 GLU 3 -2.514 16.332 1.935 27 H THR 4 H THR 4 -6.697 15.439 4.273 28 HA THR 4 HA THR 4 -7.562 12.641 4.566 29 HB THR 4 HB THR 4 -9.710 13.679 5.507 30 HG1 THR 4 HG1 THR 4 -7.903 15.877 5.754 31 HG21 THR 4 HG21 THR 4 -8.126 12.439 6.896 32 HG22 THR 4 HG22 THR 4 -8.784 13.817 7.778 33 HG23 THR 4 HG23 THR 4 -7.155 13.896 7.106 34 H VAL 5 H VAL 5 -8.789 11.869 2.945 35 HA VAL 5 HA VAL 5 -9.965 13.804 1.071 36 HB VAL 5 HB VAL 5 -9.941 11.941 -0.607 37 HG11 VAL 5 HG11 VAL 5 -7.539 12.165 -1.108 38 HG12 VAL 5 HG12 VAL 5 -7.284 12.851 0.496 39 HG13 VAL 5 HG13 VAL 5 -8.280 13.708 -0.681 40 HG21 VAL 5 HG21 VAL 5 -9.762 10.066 0.905 41 HG22 VAL 5 HG22 VAL 5 -8.196 10.639 1.470 42 HG23 VAL 5 HG23 VAL 5 -8.382 10.081 -0.193 43 H LYS 6 H LYS 6 -12.018 13.199 0.090 44 HA LYS 6 HA LYS 6 -13.646 11.470 1.820 45 HB2 LYS 6 HB2 LYS 6 -13.851 13.910 2.397 46 HB3 LYS 6 HB3 LYS 6 -14.498 14.153 0.794 47 HG2 LYS 6 HG2 LYS 6 -16.379 12.723 1.289 48 HG3 LYS 6 HG3 LYS 6 -15.713 12.413 2.887 49 HD2 LYS 6 HD2 LYS 6 -15.920 14.764 3.452 50 HD3 LYS 6 HD3 LYS 6 -16.530 15.114 1.840 51 HE2 LYS 6 HE2 LYS 6 -18.468 13.729 2.267 52 HE3 LYS 6 HE3 LYS 6 -17.848 13.311 3.859 53 HZ1 LYS 6 HZ1 LYS 6 -18.574 16.046 2.963 54 HZ2 LYS 6 HZ2 LYS 6 -18.015 15.622 4.503 55 HZ3 LYS 6 HZ3 LYS 6 -19.516 15.062 3.965 56 H LEU 7 H LEU 7 -15.822 10.992 0.773 57 HA LEU 7 HA LEU 7 -17.056 10.147 -0.932 58 HB2 LEU 7 HB2 LEU 7 -15.501 11.987 -2.691 59 HB3 LEU 7 HB3 LEU 7 -17.023 11.240 -3.081 60 HG LEU 7 HG LEU 7 -16.594 13.305 -0.924 61 HD11 LEU 7 HD11 LEU 7 -16.323 14.242 -3.160 62 HD12 LEU 7 HD12 LEU 7 -17.822 14.800 -2.416 63 HD13 LEU 7 HD13 LEU 7 -17.865 13.540 -3.648 64 HD21 LEU 7 HD21 LEU 7 -19.042 13.351 -0.849 65 HD22 LEU 7 HD22 LEU 7 -18.394 11.771 -0.407 66 HD23 LEU 7 HD23 LEU 7 -19.088 12.022 -2.007 67 H ASN 8 H ASN 8 -15.400 10.310 -3.726 68 HA ASN 8 HA ASN 8 -14.283 7.671 -3.568 69 HB2 ASN 8 HB2 ASN 8 -13.701 9.848 -5.596 70 HB3 ASN 8 HB3 ASN 8 -13.272 8.170 -5.767 71 HD21 ASN 8 HD21 ASN 8 -14.893 9.834 -7.472 72 HD22 ASN 8 HD22 ASN 8 -16.417 9.037 -7.593 73 H HIS 9 H HIS 9 -12.814 7.549 -1.982 74 HA HIS 9 HA HIS 9 -10.989 9.507 -1.222 75 HB2 HIS 9 HB2 HIS 9 -10.791 6.498 -0.964 76 HB3 HIS 9 HB3 HIS 9 -9.779 7.649 -0.102 77 HD1 HIS 9 HD1 HIS 9 -13.075 6.000 -0.002 78 HD2 HIS 9 HD2 HIS 9 -11.193 9.191 1.877 79 HE1 HIS 9 HE1 HIS 9 -14.491 6.534 2.002 80 HE2 HIS 9 HE2 HIS 9 -13.421 8.563 3.035 81 H THR 10 H THR 10 -9.435 10.368 -2.383 82 HA THR 10 HA THR 10 -8.539 9.350 -4.829 83 HB THR 10 HB THR 10 -7.075 11.319 -3.046 84 HG1 THR 10 HG1 THR 10 -8.375 12.752 -4.675 85 HG21 THR 10 HG21 THR 10 -7.102 10.973 -6.049 86 HG22 THR 10 HG22 THR 10 -5.774 10.546 -4.970 87 HG23 THR 10 HG23 THR 10 -6.242 12.235 -5.167 88 H CYS 11 H CYS 11 -6.919 8.044 -5.382 89 HA CYS 11 HA CYS 11 -5.818 6.335 -3.427 90 HB2 CYS 11 HB2 CYS 11 -6.232 5.707 -5.797 91 HB3 CYS 11 HB3 CYS 11 -4.904 6.750 -6.245 92 H VAL 12 H VAL 12 -4.267 6.690 -2.143 93 HA VAL 12 HA VAL 12 -2.400 8.648 -2.058 94 HB VAL 12 HB VAL 12 -3.186 6.554 -0.593 95 HG11 VAL 12 HG11 VAL 12 -1.304 5.107 -0.095 96 HG12 VAL 12 HG12 VAL 12 -0.455 5.762 -1.500 97 HG13 VAL 12 HG13 VAL 12 -1.964 4.869 -1.714 98 HG21 VAL 12 HG21 VAL 12 -0.819 8.279 -0.332 99 HG22 VAL 12 HG22 VAL 12 -1.287 7.134 0.922 100 HG23 VAL 12 HG23 VAL 12 -2.405 8.404 0.420 101 H ILE 13 H ILE 13 -2.533 6.066 -4.326 102 HA ILE 13 HA ILE 13 0.322 6.294 -4.907 103 HB ILE 13 HB ILE 13 -1.560 4.272 -6.028 104 HG12 ILE 13 HG12 ILE 13 -1.513 4.291 -3.521 105 HG13 ILE 13 HG13 ILE 13 -0.994 2.803 -4.273 106 HG21 ILE 13 HG21 ILE 13 1.427 4.283 -5.690 107 HG22 ILE 13 HG22 ILE 13 0.565 4.589 -7.198 108 HG23 ILE 13 HG23 ILE 13 0.467 3.004 -6.432 109 HD11 ILE 13 HD11 ILE 13 0.817 4.928 -3.224 110 HD12 ILE 13 HD12 ILE 13 1.306 3.382 -3.915 111 HD13 ILE 13 HD13 ILE 13 0.404 3.429 -2.398 112 H CYS 14 H CYS 14 -2.689 5.869 -6.823 113 HA CYS 14 HA CYS 14 -1.240 6.971 -9.053 114 HB2 CYS 14 HB2 CYS 14 -3.078 6.093 -10.442 115 HB3 CYS 14 HB3 CYS 14 -2.246 4.869 -9.516 116 H ASP 15 H ASP 15 -2.940 8.314 -6.728 117 HA ASP 15 HA ASP 15 -3.842 10.382 -6.460 118 HB2 ASP 15 HB2 ASP 15 -1.818 10.851 -7.973 119 HB3 ASP 15 HB3 ASP 15 -3.013 11.046 -9.238 120 H GLN 16 H GLN 16 -5.400 8.230 -7.745 121 HA GLN 16 HA GLN 16 -7.331 9.800 -9.270 122 HB2 GLN 16 HB2 GLN 16 -6.948 6.820 -9.120 123 HB3 GLN 16 HB3 GLN 16 -8.175 7.638 -10.078 124 HG2 GLN 16 HG2 GLN 16 -5.198 7.848 -10.424 125 HG3 GLN 16 HG3 GLN 16 -6.318 6.970 -11.459 126 HE21 GLN 16 HE21 GLN 16 -4.477 9.146 -12.077 127 HE22 GLN 16 HE22 GLN 16 -5.439 10.414 -12.751 128 H GLU 17 H GLU 17 -9.364 9.945 -8.637 129 HA GLU 17 HA GLU 17 -10.031 9.492 -5.914 130 HB2 GLU 17 HB2 GLU 17 -11.626 10.568 -8.228 131 HB3 GLU 17 HB3 GLU 17 -12.232 10.476 -6.584 132 HG2 GLU 17 HG2 GLU 17 -10.613 12.012 -5.822 133 HG3 GLU 17 HG3 GLU 17 -9.749 11.944 -7.350 134 H LYS 18 H LYS 18 -10.385 7.533 -5.332 135 HA LYS 18 HA LYS 18 -12.106 5.799 -6.966 136 HB2 LYS 18 HB2 LYS 18 -10.086 4.657 -5.165 137 HB3 LYS 18 HB3 LYS 18 -10.798 3.958 -6.585 138 HG2 LYS 18 HG2 LYS 18 -8.671 6.066 -6.471 139 HG3 LYS 18 HG3 LYS 18 -8.495 4.400 -7.011 140 HD2 LYS 18 HD2 LYS 18 -10.402 6.241 -8.364 141 HD3 LYS 18 HD3 LYS 18 -8.705 6.295 -8.743 142 HE2 LYS 18 HE2 LYS 18 -9.772 4.916 -10.344 143 HE3 LYS 18 HE3 LYS 18 -8.826 3.914 -9.276 144 HZ1 LYS 18 HZ1 LYS 18 -10.790 3.213 -8.146 145 HZ2 LYS 18 HZ2 LYS 18 -11.034 2.994 -9.802 146 HZ3 LYS 18 HZ3 LYS 18 -11.744 4.308 -9.011 147 H ASN 19 H ASN 19 -13.799 4.863 -5.960 148 HA ASN 19 HA ASN 19 -13.956 5.217 -3.059 149 HB2 ASN 19 HB2 ASN 19 -16.332 4.825 -3.249 150 HB3 ASN 19 HB3 ASN 19 -15.864 6.024 -4.444 151 HD21 ASN 19 HD21 ASN 19 -15.985 5.547 -6.608 152 HD22 ASN 19 HD22 ASN 19 -16.816 4.115 -7.210 153 H ARG 20 H ARG 20 -12.408 3.159 -4.677 154 HA ARG 20 HA ARG 20 -13.376 0.781 -3.267 155 HB2 ARG 20 HB2 ARG 20 -14.109 1.022 -5.774 156 HB3 ARG 20 HB3 ARG 20 -12.461 0.525 -6.096 157 HG2 ARG 20 HG2 ARG 20 -12.797 -1.547 -4.961 158 HG3 ARG 20 HG3 ARG 20 -14.375 -1.025 -4.403 159 HD2 ARG 20 HD2 ARG 20 -15.320 -1.105 -6.501 160 HD3 ARG 20 HD3 ARG 20 -13.753 -1.110 -7.271 161 HE ARG 20 HE ARG 20 -13.645 -3.430 -6.005 162 HH11 ARG 20 HH11 ARG 20 -16.282 -2.016 -7.835 163 HH12 ARG 20 HH12 ARG 20 -16.912 -3.550 -8.346 164 HH21 ARG 20 HH21 ARG 20 -14.457 -5.433 -6.697 165 HH22 ARG 20 HH22 ARG 20 -15.891 -5.489 -7.686 166 H GLY 21 H GLY 21 -11.792 0.022 -2.112 167 HA2 GLY 21 HA2 GLY 21 -9.357 -0.927 -2.733 168 HA3 GLY 21 HA3 GLY 21 -9.027 0.789 -2.554 169 H ILE 22 H ILE 22 -7.689 0.228 -0.563 170 HA ILE 22 HA ILE 22 -9.446 -0.513 1.668 171 HB ILE 22 HB ILE 22 -7.830 -1.814 2.631 172 HG12 ILE 22 HG12 ILE 22 -5.809 -0.250 1.058 173 HG13 ILE 22 HG13 ILE 22 -6.176 -0.066 2.731 174 HG21 ILE 22 HG21 ILE 22 -7.396 -1.977 -0.334 175 HG22 ILE 22 HG22 ILE 22 -8.356 -3.036 0.701 176 HG23 ILE 22 HG23 ILE 22 -6.590 -3.072 0.787 177 HD11 ILE 22 HD11 ILE 22 -4.115 -1.287 2.412 178 HD12 ILE 22 HD12 ILE 22 -4.986 -2.512 1.489 179 HD13 ILE 22 HD13 ILE 22 -5.337 -2.280 3.204 180 H HIS 23 H HIS 23 -8.044 0.031 3.749 181 HA HIS 23 HA HIS 23 -7.002 2.733 3.669 182 HB2 HIS 23 HB2 HIS 23 -9.494 2.039 5.252 183 HB3 HIS 23 HB3 HIS 23 -8.600 3.532 5.402 184 HD1 HIS 23 HD1 HIS 23 -9.090 5.372 3.732 185 HD2 HIS 23 HD2 HIS 23 -10.913 1.761 2.868 186 HE1 HIS 23 HE1 HIS 23 -10.723 5.875 1.889 187 HE2 HIS 23 HE2 HIS 23 -11.942 3.701 1.501 188 H LEU 24 H LEU 24 -5.271 2.715 4.979 189 HA LEU 24 HA LEU 24 -5.128 0.744 7.103 190 HB2 LEU 24 HB2 LEU 24 -3.129 2.677 5.969 191 HB3 LEU 24 HB3 LEU 24 -2.809 1.565 7.248 192 HG LEU 24 HG LEU 24 -3.567 0.754 4.458 193 HD11 LEU 24 HD11 LEU 24 -1.263 0.005 4.274 194 HD12 LEU 24 HD12 LEU 24 -0.920 0.614 5.891 195 HD13 LEU 24 HD13 LEU 24 -1.334 1.736 4.595 196 HD21 LEU 24 HD21 LEU 24 -4.315 -0.832 6.178 197 HD22 LEU 24 HD22 LEU 24 -2.670 -0.897 6.820 198 HD23 LEU 24 HD23 LEU 24 -3.011 -1.499 5.195 199 H TYR 25 H TYR 25 -4.105 4.100 6.809 200 HA TYR 25 HA TYR 25 -4.845 4.525 9.572 201 HB2 TYR 25 HB2 TYR 25 -3.158 6.172 7.738 202 HB3 TYR 25 HB3 TYR 25 -3.526 6.623 9.389 203 HD1 TYR 25 HD1 TYR 25 -2.856 3.139 8.440 204 HD2 TYR 25 HD2 TYR 25 -1.184 6.699 10.045 205 HE1 TYR 25 HE1 TYR 25 -0.898 1.873 9.169 206 HE2 TYR 25 HE2 TYR 25 0.780 5.437 10.796 207 HH TYR 25 HH TYR 25 1.489 2.330 9.712 208 H THR 26 H THR 26 -4.678 7.389 7.793 209 HA THR 26 HA THR 26 -7.599 7.422 7.483 210 HB THR 26 HB THR 26 -6.669 9.237 8.881 211 HG1 THR 26 HG1 THR 26 -7.880 9.851 6.394 212 HG21 THR 26 HG21 THR 26 -5.271 10.096 6.348 213 HG22 THR 26 HG22 THR 26 -4.486 9.407 7.769 214 HG23 THR 26 HG23 THR 26 -5.288 10.975 7.879 215 H LYS 27 H LYS 27 -5.123 6.495 5.697 216 HA LYS 27 HA LYS 27 -5.867 8.076 3.334 217 HB2 LYS 27 HB2 LYS 27 -3.691 6.707 2.489 218 HB3 LYS 27 HB3 LYS 27 -3.648 8.322 3.163 219 HG2 LYS 27 HG2 LYS 27 -3.326 5.870 4.846 220 HG3 LYS 27 HG3 LYS 27 -1.981 6.648 4.021 221 HD2 LYS 27 HD2 LYS 27 -3.825 8.008 5.975 222 HD3 LYS 27 HD3 LYS 27 -2.220 7.395 6.359 223 HE2 LYS 27 HE2 LYS 27 -1.636 8.920 4.213 224 HE3 LYS 27 HE3 LYS 27 -3.044 9.788 4.819 225 HZ1 LYS 27 HZ1 LYS 27 -0.810 10.537 5.708 226 HZ2 LYS 27 HZ2 LYS 27 -0.769 9.093 6.591 227 HZ3 LYS 27 HZ3 LYS 27 -2.004 10.221 6.869 228 H PHE 28 H PHE 28 -5.091 6.635 1.324 229 HA PHE 28 HA PHE 28 -6.655 4.181 1.376 230 HB2 PHE 28 HB2 PHE 28 -8.289 5.881 0.978 231 HB3 PHE 28 HB3 PHE 28 -7.242 6.686 -0.177 232 HD1 PHE 28 HD1 PHE 28 -7.229 6.059 -2.453 233 HD2 PHE 28 HD2 PHE 28 -9.315 3.695 0.394 234 HE1 PHE 28 HE1 PHE 28 -8.258 4.794 -4.275 235 HE2 PHE 28 HE2 PHE 28 -10.362 2.420 -1.431 236 HZ PHE 28 HZ PHE 28 -9.820 2.954 -3.785 237 H ILE 29 H ILE 29 -5.165 2.816 0.476 238 HA ILE 29 HA ILE 29 -3.924 3.630 -2.041 239 HB ILE 29 HB ILE 29 -3.926 0.868 -0.774 240 HG12 ILE 29 HG12 ILE 29 -1.412 1.442 -0.440 241 HG13 ILE 29 HG13 ILE 29 -1.942 3.119 -0.550 242 HG21 ILE 29 HG21 ILE 29 -2.132 0.400 -2.387 243 HG22 ILE 29 HG22 ILE 29 -2.349 2.011 -3.068 244 HG23 ILE 29 HG23 ILE 29 -3.659 0.829 -3.172 245 HD11 ILE 29 HD11 ILE 29 -3.112 1.155 1.390 246 HD12 ILE 29 HD12 ILE 29 -3.285 2.911 1.382 247 HD13 ILE 29 HD13 ILE 29 -1.727 2.176 1.762 248 H CYS 30 H CYS 30 -5.121 3.331 -3.931 249 HA CYS 30 HA CYS 30 -7.682 2.091 -3.749 250 HB2 CYS 30 HB2 CYS 30 -8.038 2.589 -5.970 251 HB3 CYS 30 HB3 CYS 30 -6.827 3.788 -5.552 252 H LEU 31 H LEU 31 -8.390 0.275 -4.805 253 HA LEU 31 HA LEU 31 -7.229 -1.988 -3.844 254 HB2 LEU 31 HB2 LEU 31 -9.046 -3.054 -4.727 255 HB3 LEU 31 HB3 LEU 31 -9.610 -1.421 -4.625 256 HG LEU 31 HG LEU 31 -8.753 -1.343 -7.139 257 HD11 LEU 31 HD11 LEU 31 -9.540 -4.231 -6.766 258 HD12 LEU 31 HD12 LEU 31 -7.920 -3.646 -7.150 259 HD13 LEU 31 HD13 LEU 31 -9.236 -3.425 -8.303 260 HD21 LEU 31 HD21 LEU 31 -11.040 -1.824 -7.836 261 HD22 LEU 31 HD22 LEU 31 -10.999 -0.828 -6.383 262 HD23 LEU 31 HD23 LEU 31 -11.368 -2.548 -6.263 263 H ASP 32 H ASP 32 -6.432 -0.353 -6.675 264 HA ASP 32 HA ASP 32 -5.551 -2.622 -8.235 265 HB2 ASP 32 HB2 ASP 32 -6.475 -0.651 -9.321 266 HB3 ASP 32 HB3 ASP 32 -5.239 0.325 -8.591 267 H CYS 33 H CYS 33 -4.229 0.155 -6.731 268 HA CYS 33 HA CYS 33 -1.516 -0.494 -6.988 269 HB2 CYS 33 HB2 CYS 33 -2.884 1.501 -5.219 270 HB3 CYS 33 HB3 CYS 33 -1.164 1.383 -5.454 271 H GLU 34 H GLU 34 -3.965 -0.926 -4.649 272 HA GLU 34 HA GLU 34 -2.431 -1.627 -2.446 273 HB2 GLU 34 HB2 GLU 34 -4.768 -0.981 -2.298 274 HB3 GLU 34 HB3 GLU 34 -5.241 -2.371 -3.232 275 HG2 GLU 34 HG2 GLU 34 -3.808 -2.895 -0.735 276 HG3 GLU 34 HG3 GLU 34 -5.431 -2.281 -0.604 277 H ARG 35 H ARG 35 -3.829 -3.541 -5.024 278 HA ARG 35 HA ARG 35 -2.634 -5.921 -4.002 279 HB2 ARG 35 HB2 ARG 35 -3.359 -7.068 -5.986 280 HB3 ARG 35 HB3 ARG 35 -4.657 -6.032 -5.419 281 HG2 ARG 35 HG2 ARG 35 -4.039 -4.372 -7.132 282 HG3 ARG 35 HG3 ARG 35 -2.816 -5.487 -7.721 283 HD2 ARG 35 HD2 ARG 35 -5.748 -5.986 -7.625 284 HD3 ARG 35 HD3 ARG 35 -4.811 -5.639 -9.067 285 HE ARG 35 HE ARG 35 -3.573 -7.812 -8.164 286 HH11 ARG 35 HH11 ARG 35 -6.981 -7.139 -8.565 287 HH12 ARG 35 HH12 ARG 35 -7.416 -8.805 -8.793 288 HH21 ARG 35 HH21 ARG 35 -4.132 -10.001 -8.473 289 HH22 ARG 35 HH22 ARG 35 -5.787 -10.434 -8.753 290 H LYS 36 H LYS 36 -1.478 -3.369 -5.957 291 HA LYS 36 HA LYS 36 0.429 -4.732 -7.497 292 HB2 LYS 36 HB2 LYS 36 0.536 -1.947 -6.467 293 HB3 LYS 36 HB3 LYS 36 1.538 -2.587 -7.736 294 HG2 LYS 36 HG2 LYS 36 -0.622 -2.946 -9.004 295 HG3 LYS 36 HG3 LYS 36 -1.379 -2.029 -7.787 296 HD2 LYS 36 HD2 LYS 36 -0.751 -0.243 -8.731 297 HD3 LYS 36 HD3 LYS 36 0.934 -0.699 -8.706 298 HE2 LYS 36 HE2 LYS 36 -0.029 -0.217 -10.942 299 HE3 LYS 36 HE3 LYS 36 0.712 -1.798 -10.802 300 HZ1 LYS 36 HZ1 LYS 36 -2.201 -1.192 -10.675 301 HZ2 LYS 36 HZ2 LYS 36 -1.511 -2.734 -10.512 302 HZ3 LYS 36 HZ3 LYS 36 -1.388 -1.907 -11.980 303 H VAL 37 H VAL 37 0.392 -3.222 -4.409 304 HA VAL 37 HA VAL 37 3.071 -3.262 -3.808 305 HB VAL 37 HB VAL 37 2.430 -3.110 -1.469 306 HG11 VAL 37 HG11 VAL 37 2.177 -1.158 -3.139 307 HG12 VAL 37 HG12 VAL 37 1.415 -1.006 -1.557 308 HG13 VAL 37 HG13 VAL 37 0.441 -1.445 -2.964 309 HG21 VAL 37 HG21 VAL 37 -0.092 -2.954 -1.046 310 HG22 VAL 37 HG22 VAL 37 0.702 -4.526 -1.085 311 HG23 VAL 37 HG23 VAL 37 -0.221 -3.968 -2.490 312 H ILE 38 H ILE 38 0.603 -5.599 -3.101 313 HA ILE 38 HA ILE 38 2.043 -7.486 -1.636 314 HB ILE 38 HB ILE 38 -0.160 -8.200 -3.557 315 HG12 ILE 38 HG12 ILE 38 -0.342 -6.597 -1.043 316 HG13 ILE 38 HG13 ILE 38 -1.098 -6.302 -2.590 317 HG21 ILE 38 HG21 ILE 38 0.865 -10.042 -2.375 318 HG22 ILE 38 HG22 ILE 38 -0.795 -9.808 -1.827 319 HG23 ILE 38 HG23 ILE 38 0.548 -9.256 -0.832 320 HD11 ILE 38 HD11 ILE 38 -2.581 -8.234 -2.191 321 HD12 ILE 38 HD12 ILE 38 -2.768 -6.936 -1.012 322 HD13 ILE 38 HD13 ILE 38 -1.878 -8.392 -0.581 323 H SER 39 H SER 39 1.615 -6.808 -4.971 324 HA SER 39 HA SER 39 2.747 -9.240 -5.864 325 HB2 SER 39 HB2 SER 39 1.079 -7.971 -7.196 326 HB3 SER 39 HB3 SER 39 2.281 -6.708 -7.440 327 HG SER 39 HG SER 39 2.815 -9.386 -8.159 328 H THR 40 H THR 40 3.918 -6.180 -4.938 329 HA THR 40 HA THR 40 6.408 -6.319 -6.385 330 HB THR 40 HB THR 40 5.502 -4.386 -4.245 331 HG1 THR 40 HG1 THR 40 4.211 -4.465 -6.223 332 HG21 THR 40 HG21 THR 40 7.226 -2.907 -5.132 333 HG22 THR 40 HG22 THR 40 7.716 -4.146 -6.286 334 HG23 THR 40 HG23 THR 40 7.941 -4.413 -4.558 335 H SER 41 H SER 41 5.375 -6.650 -2.988 336 HA SER 41 HA SER 41 8.120 -6.708 -2.093 337 HB2 SER 41 HB2 SER 41 7.022 -6.921 0.165 338 HB3 SER 41 HB3 SER 41 6.594 -5.477 -0.754 339 HG SER 41 HG SER 41 4.704 -6.334 0.023 340 H THR 42 H THR 42 5.775 -9.083 -2.928 341 HA THR 42 HA THR 42 6.641 -11.046 -1.026 342 HB THR 42 HB THR 42 5.177 -12.593 -2.376 343 HG1 THR 42 HG1 THR 42 3.963 -10.453 -3.635 344 HG21 THR 42 HG21 THR 42 3.098 -11.518 -1.620 345 HG22 THR 42 HG22 THR 42 3.976 -10.004 -1.380 346 HG23 THR 42 HG23 THR 42 4.363 -11.417 -0.394 347 H SER 43 H SER 43 8.706 -10.002 -2.752 348 HA SER 43 HA SER 43 9.899 -12.545 -3.428 349 HB2 SER 43 HB2 SER 43 8.811 -11.856 -5.555 350 HB3 SER 43 HB3 SER 43 9.700 -10.335 -5.500 351 HG SER 43 HG SER 43 11.644 -11.611 -5.547 352 H ASP 44 H ASP 44 10.164 -10.456 -1.440 353 HA ASP 44 HA ASP 44 12.943 -9.673 -1.937 354 HB2 ASP 44 HB2 ASP 44 11.654 -7.695 -2.423 355 HB3 ASP 44 HB3 ASP 44 10.734 -7.872 -0.932 356 HA PRO 45 HA PRO 45 13.148 -11.390 2.199 357 HB2 PRO 45 HB2 PRO 45 15.781 -11.823 2.197 358 HB3 PRO 45 HB3 PRO 45 14.713 -12.776 1.170 359 HG2 PRO 45 HG2 PRO 45 16.496 -10.501 0.486 360 HG3 PRO 45 HG3 PRO 45 16.129 -11.968 -0.392 361 HD2 PRO 45 HD2 PRO 45 14.985 -9.486 -0.866 362 HD3 PRO 45 HD3 PRO 45 14.369 -11.042 -1.458 363 H ASP 46 H ASP 46 12.776 -8.743 2.056 364 HA ASP 46 HA ASP 46 14.414 -6.794 2.798 365 HB2 ASP 46 HB2 ASP 46 12.021 -6.440 2.773 366 HB3 ASP 46 HB3 ASP 46 11.817 -7.443 4.206 367 H TYR 47 H TYR 47 13.004 -8.804 5.401 368 HA TYR 47 HA TYR 47 15.431 -8.228 6.941 369 HB2 TYR 47 HB2 TYR 47 14.050 -8.612 8.974 370 HB3 TYR 47 HB3 TYR 47 13.539 -7.229 8.024 371 HD1 TYR 47 HD1 TYR 47 11.516 -7.531 6.488 372 HD2 TYR 47 HD2 TYR 47 12.541 -10.298 9.549 373 HE1 TYR 47 HE1 TYR 47 9.212 -8.393 6.469 374 HE2 TYR 47 HE2 TYR 47 10.244 -11.174 9.534 375 HH TYR 47 HH TYR 47 8.053 -10.578 7.100 376 H ALA 48 H ALA 48 16.731 -9.835 7.335 377 HA ALA 48 HA ALA 48 15.748 -12.504 7.846 378 HB1 ALA 48 HB1 ALA 48 17.628 -11.987 5.539 379 HB2 ALA 48 HB2 ALA 48 15.946 -12.500 5.404 380 HB3 ALA 48 HB3 ALA 48 17.138 -13.571 6.142 381 H1 SER 0 H1 SER 0 3.286 19.161 -7.481 382 H2 SER 0 H2 SER 0 3.756 18.799 -5.894 383 H3 SER 0 H3 SER 0 4.008 20.352 -6.522 384 HA SER 0 HA SER 0 2.143 20.309 -5.009 385 HB2 SER 0 HB2 SER 0 2.166 21.912 -6.889 386 HB3 SER 0 HB3 SER 0 1.331 20.735 -7.898 387 HG SER 0 HG SER 0 0.347 21.936 -5.512 388 H MET 1 H MET 1 1.116 18.641 -8.008 389 HA MET 1 HA MET 1 -0.997 17.295 -6.587 390 HB2 MET 1 HB2 MET 1 -0.020 16.962 -9.431 391 HB3 MET 1 HB3 MET 1 -1.487 16.254 -8.772 392 HG2 MET 1 HG2 MET 1 -2.450 18.430 -8.448 393 HG3 MET 1 HG3 MET 1 -0.948 19.208 -8.940 394 HE1 MET 1 HE1 MET 1 -2.709 16.041 -10.523 395 HE2 MET 1 HE2 MET 1 -3.684 16.803 -11.777 396 HE3 MET 1 HE3 MET 1 -4.043 17.102 -10.078 397 H ASP 2 H ASP 2 1.514 15.954 -8.718 398 HA ASP 2 HA ASP 2 1.521 13.505 -7.146 399 HB2 ASP 2 HB2 ASP 2 1.463 13.397 -9.623 400 HB3 ASP 2 HB3 ASP 2 3.025 14.203 -9.682 401 H GLU 3 H GLU 3 2.495 14.156 -5.262 402 HA GLU 3 HA GLU 3 4.803 15.792 -5.172 403 HB2 GLU 3 HB2 GLU 3 3.373 14.170 -3.094 404 HB3 GLU 3 HB3 GLU 3 4.807 15.125 -2.733 405 HG2 GLU 3 HG2 GLU 3 2.259 16.210 -3.907 406 HG3 GLU 3 HG3 GLU 3 2.724 16.298 -2.214 407 H THR 4 H THR 4 6.886 15.317 -4.559 408 HA THR 4 HA THR 4 7.692 12.501 -4.843 409 HB THR 4 HB THR 4 9.860 13.494 -5.794 410 HG1 THR 4 HG1 THR 4 8.097 15.728 -6.047 411 HG21 THR 4 HG21 THR 4 8.251 12.284 -7.178 412 HG22 THR 4 HG22 THR 4 8.931 13.650 -8.062 413 HG23 THR 4 HG23 THR 4 7.307 13.760 -7.386 414 H VAL 5 H VAL 5 8.930 11.711 -3.233 415 HA VAL 5 HA VAL 5 10.125 13.632 -1.357 416 HB VAL 5 HB VAL 5 10.071 11.772 0.325 417 HG11 VAL 5 HG11 VAL 5 7.675 12.045 0.830 418 HG12 VAL 5 HG12 VAL 5 7.430 12.730 -0.776 419 HG13 VAL 5 HG13 VAL 5 8.442 13.572 0.396 420 HG21 VAL 5 HG21 VAL 5 9.852 9.899 -1.185 421 HG22 VAL 5 HG22 VAL 5 8.295 10.501 -1.746 422 HG23 VAL 5 HG23 VAL 5 8.478 9.941 -0.083 423 H LYS 6 H LYS 6 12.171 12.998 -0.376 424 HA LYS 6 HA LYS 6 13.759 11.232 -2.103 425 HB2 LYS 6 HB2 LYS 6 14.010 13.662 -2.691 426 HB3 LYS 6 HB3 LYS 6 14.667 13.901 -1.092 427 HG2 LYS 6 HG2 LYS 6 16.519 12.430 -1.586 428 HG3 LYS 6 HG3 LYS 6 15.844 12.129 -3.183 429 HD2 LYS 6 HD2 LYS 6 16.094 14.475 -3.755 430 HD3 LYS 6 HD3 LYS 6 16.712 14.816 -2.145 431 HE2 LYS 6 HE2 LYS 6 18.624 13.396 -2.569 432 HE3 LYS 6 HE3 LYS 6 17.995 12.984 -4.161 433 HZ1 LYS 6 HZ1 LYS 6 18.776 15.706 -3.270 434 HZ2 LYS 6 HZ2 LYS 6 18.199 15.293 -4.806 435 HZ3 LYS 6 HZ3 LYS 6 19.694 14.701 -4.278 436 H LEU 7 H LEU 7 15.922 10.710 -1.067 437 HA LEU 7 HA LEU 7 17.151 9.847 0.638 438 HB2 LEU 7 HB2 LEU 7 15.636 11.719 2.397 439 HB3 LEU 7 HB3 LEU 7 17.146 10.945 2.787 440 HG LEU 7 HG LEU 7 16.747 13.012 0.624 441 HD11 LEU 7 HD11 LEU 7 16.497 13.961 2.856 442 HD12 LEU 7 HD12 LEU 7 18.004 14.488 2.107 443 HD13 LEU 7 HD13 LEU 7 18.027 13.231 3.342 444 HD21 LEU 7 HD21 LEU 7 19.195 13.015 0.545 445 HD22 LEU 7 HD22 LEU 7 18.518 11.447 0.108 446 HD23 LEU 7 HD23 LEU 7 19.219 11.689 1.706 447 H ASN 8 H ASN 8 15.510 10.047 3.433 448 HA ASN 8 HA ASN 8 14.343 7.431 3.288 449 HB2 ASN 8 HB2 ASN 8 13.806 9.625 5.310 450 HB3 ASN 8 HB3 ASN 8 13.342 7.956 5.485 451 HD21 ASN 8 HD21 ASN 8 15.000 9.593 7.181 452 HD22 ASN 8 HD22 ASN 8 16.508 8.766 7.303 453 H HIS 9 H HIS 9 12.865 7.332 1.705 454 HA HIS 9 HA HIS 9 11.078 9.325 0.943 455 HB2 HIS 9 HB2 HIS 9 10.824 6.322 0.694 456 HB3 HIS 9 HB3 HIS 9 9.829 7.486 -0.170 457 HD1 HIS 9 HD1 HIS 9 13.091 5.775 -0.269 458 HD2 HIS 9 HD2 HIS 9 11.266 8.991 -2.159 459 HE1 HIS 9 HE1 HIS 9 14.515 6.275 -2.278 460 HE2 HIS 9 HE2 HIS 9 13.491 8.334 -3.298 461 H THR 10 H THR 10 9.544 10.218 2.105 462 HA THR 10 HA THR 10 8.630 9.220 4.555 463 HB THR 10 HB THR 10 7.201 11.212 2.770 464 HG1 THR 10 HG1 THR 10 8.521 12.632 4.383 465 HG21 THR 10 HG21 THR 10 7.226 10.869 5.774 466 HG22 THR 10 HG22 THR 10 5.890 10.463 4.697 467 HG23 THR 10 HG23 THR 10 6.386 12.144 4.890 468 H CYS 11 H CYS 11 6.987 7.943 5.114 469 HA CYS 11 HA CYS 11 5.852 6.252 3.166 470 HB2 CYS 11 HB2 CYS 11 6.259 5.623 5.537 471 HB3 CYS 11 HB3 CYS 11 4.952 6.690 5.984 472 H VAL 12 H VAL 12 4.304 6.634 1.884 473 HA VAL 12 HA VAL 12 2.472 8.624 1.797 474 HB VAL 12 HB VAL 12 3.219 6.512 0.335 475 HG11 VAL 12 HG11 VAL 12 1.310 5.099 -0.155 476 HG12 VAL 12 HG12 VAL 12 0.476 5.772 1.250 477 HG13 VAL 12 HG13 VAL 12 1.967 4.854 1.463 478 HG21 VAL 12 HG21 VAL 12 0.884 8.280 0.074 479 HG22 VAL 12 HG22 VAL 12 1.327 7.122 -1.176 480 HG23 VAL 12 HG23 VAL 12 2.470 8.373 -0.681 481 H ILE 13 H ILE 13 2.564 6.045 4.074 482 HA ILE 13 HA ILE 13 -0.287 6.326 4.657 483 HB ILE 13 HB ILE 13 1.561 4.273 5.780 484 HG12 ILE 13 HG12 ILE 13 1.507 4.287 3.272 485 HG13 ILE 13 HG13 ILE 13 0.964 2.811 4.030 486 HG21 ILE 13 HG21 ILE 13 -1.425 4.339 5.449 487 HG22 ILE 13 HG22 ILE 13 -0.555 4.633 6.954 488 HG23 ILE 13 HG23 ILE 13 -0.489 3.043 6.193 489 HD11 ILE 13 HD11 ILE 13 -0.810 4.965 2.981 490 HD12 ILE 13 HD12 ILE 13 -1.325 3.431 3.679 491 HD13 ILE 13 HD13 ILE 13 -0.429 3.455 2.158 492 H CYS 14 H CYS 14 2.717 5.847 6.572 493 HA CYS 14 HA CYS 14 1.295 6.986 8.803 494 HB2 CYS 14 HB2 CYS 14 3.120 6.075 10.191 495 HB3 CYS 14 HB3 CYS 14 2.266 4.865 9.266 496 H ASP 15 H ASP 15 3.014 8.289 6.474 497 HA ASP 15 HA ASP 15 3.956 10.340 6.194 498 HB2 ASP 15 HB2 ASP 15 1.944 10.854 7.704 499 HB3 ASP 15 HB3 ASP 15 3.142 11.025 8.970 500 H GLN 16 H GLN 16 5.476 8.166 7.480 501 HA GLN 16 HA GLN 16 7.439 9.703 8.994 502 HB2 GLN 16 HB2 GLN 16 7.002 6.731 8.854 503 HB3 GLN 16 HB3 GLN 16 8.244 7.529 9.805 504 HG2 GLN 16 HG2 GLN 16 5.274 7.796 10.160 505 HG3 GLN 16 HG3 GLN 16 6.380 6.898 11.194 506 HE21 GLN 16 HE21 GLN 16 4.579 9.118 11.802 507 HE22 GLN 16 HE22 GLN 16 5.568 10.366 12.478 508 H GLU 17 H GLU 17 9.475 9.807 8.355 509 HA GLU 17 HA GLU 17 10.127 9.335 5.631 510 HB2 GLU 17 HB2 GLU 17 11.741 10.387 7.941 511 HB3 GLU 17 HB3 GLU 17 12.345 10.282 6.297 512 HG2 GLU 17 HG2 GLU 17 10.755 11.847 5.538 513 HG3 GLU 17 HG3 GLU 17 9.893 11.799 7.067 514 H LYS 18 H LYS 18 10.448 7.370 5.056 515 HA LYS 18 HA LYS 18 12.141 5.610 6.696 516 HB2 LYS 18 HB2 LYS 18 10.094 4.501 4.900 517 HB3 LYS 18 HB3 LYS 18 10.794 3.793 6.321 518 HG2 LYS 18 HG2 LYS 18 8.706 5.938 6.202 519 HG3 LYS 18 HG3 LYS 18 8.501 4.276 6.749 520 HD2 LYS 18 HD2 LYS 18 10.441 6.088 8.093 521 HD3 LYS 18 HD3 LYS 18 8.746 6.172 8.474 522 HE2 LYS 18 HE2 LYS 18 9.791 4.781 10.078 523 HE3 LYS 18 HE3 LYS 18 8.826 3.791 9.013 524 HZ1 LYS 18 HZ1 LYS 18 10.774 3.051 7.883 525 HZ2 LYS 18 HZ2 LYS 18 11.021 2.842 9.539 526 HZ3 LYS 18 HZ3 LYS 18 11.746 4.137 8.740 527 H ASN 19 H ASN 19 13.808 4.630 5.689 528 HA ASN 19 HA ASN 19 13.967 4.982 2.784 529 HB2 ASN 19 HB2 ASN 19 16.334 4.546 2.968 530 HB3 ASN 19 HB3 ASN 19 15.893 5.757 4.160 531 HD21 ASN 19 HD21 ASN 19 16.019 5.288 6.325 532 HD22 ASN 19 HD22 ASN 19 16.823 3.844 6.929 533 H ARG 20 H ARG 20 12.384 2.958 4.411 534 HA ARG 20 HA ARG 20 13.304 0.559 3.003 535 HB2 ARG 20 HB2 ARG 20 14.048 0.791 5.507 536 HB3 ARG 20 HB3 ARG 20 12.392 0.325 5.834 537 HG2 ARG 20 HG2 ARG 20 12.687 -1.755 4.703 538 HG3 ARG 20 HG3 ARG 20 14.273 -1.263 4.141 539 HD2 ARG 20 HD2 ARG 20 15.219 -1.356 6.238 540 HD3 ARG 20 HD3 ARG 20 13.653 -1.332 7.010 541 HE ARG 20 HE ARG 20 13.503 -3.654 5.748 542 HH11 ARG 20 HH11 ARG 20 16.160 -2.277 7.577 543 HH12 ARG 20 HH12 ARG 20 16.770 -3.817 8.087 544 HH21 ARG 20 HH21 ARG 20 14.275 -5.668 6.448 545 HH22 ARG 20 HH22 ARG 20 15.713 -5.751 7.428 546 H GLY 21 H GLY 21 11.703 -0.178 1.852 547 HA2 GLY 21 HA2 GLY 21 9.253 -1.077 2.485 548 HA3 GLY 21 HA3 GLY 21 8.956 0.644 2.302 549 H ILE 22 H ILE 22 7.604 0.107 0.313 550 HA ILE 22 HA ILE 22 9.344 -0.674 -1.917 551 HB ILE 22 HB ILE 22 7.702 -1.948 -2.875 552 HG12 ILE 22 HG12 ILE 22 5.711 -0.344 -1.303 553 HG13 ILE 22 HG13 ILE 22 6.079 -0.171 -2.976 554 HG21 ILE 22 HG21 ILE 22 7.271 -2.095 0.091 555 HG22 ILE 22 HG22 ILE 22 8.209 -3.175 -0.942 556 HG23 ILE 22 HG23 ILE 22 6.442 -3.179 -1.024 557 HD11 ILE 22 HD11 ILE 22 3.998 -1.354 -2.651 558 HD12 ILE 22 HD12 ILE 22 4.847 -2.594 -1.728 559 HD13 ILE 22 HD13 ILE 22 5.200 -2.371 -3.442 560 H HIS 23 H HIS 23 7.947 -0.109 -3.997 561 HA HIS 23 HA HIS 23 6.956 2.611 -3.927 562 HB2 HIS 23 HB2 HIS 23 9.432 1.867 -5.511 563 HB3 HIS 23 HB3 HIS 23 8.566 3.376 -5.663 564 HD1 HIS 23 HD1 HIS 23 9.096 5.211 -4.000 565 HD2 HIS 23 HD2 HIS 23 10.852 1.568 -3.127 566 HE1 HIS 23 HE1 HIS 23 10.737 5.685 -2.157 567 HE2 HIS 23 HE2 HIS 23 11.926 3.492 -1.776 568 H LEU 24 H LEU 24 5.222 2.621 -5.234 569 HA LEU 24 HA LEU 24 5.043 0.648 -7.351 570 HB2 LEU 24 HB2 LEU 24 3.078 2.620 -6.219 571 HB3 LEU 24 HB3 LEU 24 2.736 1.509 -7.493 572 HG LEU 24 HG LEU 24 3.484 0.693 -4.702 573 HD11 LEU 24 HD11 LEU 24 1.169 -0.015 -4.511 574 HD12 LEU 24 HD12 LEU 24 0.834 0.593 -6.129 575 HD13 LEU 24 HD13 LEU 24 1.266 1.713 -4.838 576 HD21 LEU 24 HD21 LEU 24 4.200 -0.912 -6.416 577 HD22 LEU 24 HD22 LEU 24 2.554 -0.948 -7.055 578 HD23 LEU 24 HD23 LEU 24 2.885 -1.550 -5.429 579 H TYR 25 H TYR 25 4.079 4.024 -7.061 580 HA TYR 25 HA TYR 25 4.818 4.428 -9.828 581 HB2 TYR 25 HB2 TYR 25 3.166 6.108 -7.992 582 HB3 TYR 25 HB3 TYR 25 3.540 6.552 -9.645 583 HD1 TYR 25 HD1 TYR 25 2.805 3.084 -8.687 584 HD2 TYR 25 HD2 TYR 25 1.203 6.669 -10.304 585 HE1 TYR 25 HE1 TYR 25 0.823 1.852 -9.411 586 HE2 TYR 25 HE2 TYR 25 -0.785 5.443 -11.051 587 HH TYR 25 HH TYR 25 -1.549 2.342 -9.959 588 H THR 26 H THR 26 4.711 7.296 -8.055 589 HA THR 26 HA THR 26 7.632 7.277 -7.751 590 HB THR 26 HB THR 26 6.726 9.104 -9.151 591 HG1 THR 26 HG1 THR 26 7.959 9.719 -6.674 592 HG21 THR 26 HG21 THR 26 5.357 9.999 -6.616 593 HG22 THR 26 HG22 THR 26 4.556 9.318 -8.031 594 HG23 THR 26 HG23 THR 26 5.386 10.871 -8.151 595 H LYS 27 H LYS 27 5.140 6.403 -5.958 596 HA LYS 27 HA LYS 27 5.920 7.975 -3.602 597 HB2 LYS 27 HB2 LYS 27 3.721 6.650 -2.748 598 HB3 LYS 27 HB3 LYS 27 3.707 8.263 -3.427 599 HG2 LYS 27 HG2 LYS 27 3.335 5.811 -5.101 600 HG3 LYS 27 HG3 LYS 27 2.009 6.618 -4.276 601 HD2 LYS 27 HD2 LYS 27 3.871 7.938 -6.238 602 HD3 LYS 27 HD3 LYS 27 2.254 7.356 -6.615 603 HE2 LYS 27 HE2 LYS 27 1.704 8.895 -4.471 604 HE3 LYS 27 HE3 LYS 27 3.125 9.735 -5.084 605 HZ1 LYS 27 HZ1 LYS 27 0.904 10.520 -5.968 606 HZ2 LYS 27 HZ2 LYS 27 0.834 9.076 -6.846 607 HZ3 LYS 27 HZ3 LYS 27 2.088 10.182 -7.131 608 H PHE 28 H PHE 28 5.124 6.557 -1.585 609 HA PHE 28 HA PHE 28 6.638 4.071 -1.636 610 HB2 PHE 28 HB2 PHE 28 8.305 5.741 -1.245 611 HB3 PHE 28 HB3 PHE 28 7.274 6.568 -0.088 612 HD1 PHE 28 HD1 PHE 28 7.255 5.948 2.189 613 HD2 PHE 28 HD2 PHE 28 9.294 3.536 -0.656 614 HE1 PHE 28 HE1 PHE 28 8.265 4.668 4.013 615 HE2 PHE 28 HE2 PHE 28 10.318 2.247 1.172 616 HZ PHE 28 HZ PHE 28 9.792 2.798 3.524 617 H ILE 29 H ILE 29 5.124 2.735 -0.728 618 HA ILE 29 HA ILE 29 3.906 3.579 1.789 619 HB ILE 29 HB ILE 29 3.853 0.813 0.530 620 HG12 ILE 29 HG12 ILE 29 1.351 1.434 0.199 621 HG13 ILE 29 HG13 ILE 29 1.910 3.100 0.304 622 HG21 ILE 29 HG21 ILE 29 2.055 0.385 2.149 623 HG22 ILE 29 HG22 ILE 29 2.302 1.992 2.824 624 HG23 ILE 29 HG23 ILE 29 3.590 0.788 2.929 625 HD11 ILE 29 HD11 ILE 29 3.044 1.109 -1.633 626 HD12 ILE 29 HD12 ILE 29 3.249 2.863 -1.629 627 HD13 ILE 29 HD13 ILE 29 1.678 2.155 -2.006 628 H CYS 30 H CYS 30 5.100 3.262 3.677 629 HA CYS 30 HA CYS 30 7.637 1.975 3.494 630 HB2 CYS 30 HB2 CYS 30 8.007 2.473 5.713 631 HB3 CYS 30 HB3 CYS 30 6.819 3.692 5.295 632 H LEU 31 H LEU 31 8.313 0.149 4.548 633 HA LEU 31 HA LEU 31 7.112 -2.095 3.600 634 HB2 LEU 31 HB2 LEU 31 8.910 -3.189 4.486 635 HB3 LEU 31 HB3 LEU 31 9.503 -1.568 4.379 636 HG LEU 31 HG LEU 31 8.654 -1.468 6.893 637 HD11 LEU 31 HD11 LEU 31 9.385 -4.372 6.524 638 HD12 LEU 31 HD12 LEU 31 7.779 -3.755 6.911 639 HD13 LEU 31 HD13 LEU 31 9.100 -3.556 8.061 640 HD21 LEU 31 HD21 LEU 31 10.932 -1.991 7.583 641 HD22 LEU 31 HD22 LEU 31 10.906 -0.997 6.129 642 HD23 LEU 31 HD23 LEU 31 11.242 -2.723 6.011 643 H ASP 32 H ASP 32 6.348 -0.438 6.429 644 HA ASP 32 HA ASP 32 5.429 -2.689 7.997 645 HB2 ASP 32 HB2 ASP 32 6.391 -0.731 9.078 646 HB3 ASP 32 HB3 ASP 32 5.168 0.266 8.350 647 H CYS 33 H CYS 33 4.154 0.111 6.491 648 HA CYS 33 HA CYS 33 1.429 -0.488 6.752 649 HB2 CYS 33 HB2 CYS 33 2.831 1.479 4.976 650 HB3 CYS 33 HB3 CYS 33 1.110 1.392 5.217 651 H GLU 34 H GLU 34 3.865 -0.971 4.409 652 HA GLU 34 HA GLU 34 2.316 -1.648 2.210 653 HB2 GLU 34 HB2 GLU 34 4.664 -1.045 2.057 654 HB3 GLU 34 HB3 GLU 34 5.112 -2.443 2.992 655 HG2 GLU 34 HG2 GLU 34 3.663 -2.944 0.501 656 HG3 GLU 34 HG3 GLU 34 5.298 -2.362 0.364 657 H ARG 35 H ARG 35 3.680 -3.581 4.794 658 HA ARG 35 HA ARG 35 2.442 -5.942 3.777 659 HB2 ARG 35 HB2 ARG 35 3.150 -7.097 5.763 660 HB3 ARG 35 HB3 ARG 35 4.466 -6.087 5.190 661 HG2 ARG 35 HG2 ARG 35 3.884 -4.412 6.898 662 HG3 ARG 35 HG3 ARG 35 2.641 -5.500 7.493 663 HD2 ARG 35 HD2 ARG 35 5.564 -6.058 7.392 664 HD3 ARG 35 HD3 ARG 35 4.637 -5.687 8.834 665 HE ARG 35 HE ARG 35 3.352 -7.836 7.952 666 HH11 ARG 35 HH11 ARG 35 6.775 -7.228 8.338 667 HH12 ARG 35 HH12 ARG 35 7.183 -8.902 8.558 668 HH21 ARG 35 HH21 ARG 35 3.872 -10.035 8.261 669 HH22 ARG 35 HH22 ARG 35 5.523 -10.501 8.526 670 H LYS 36 H LYS 36 1.337 -3.364 5.729 671 HA LYS 36 HA LYS 36 -0.591 -4.688 7.274 672 HB2 LYS 36 HB2 LYS 36 -0.648 -1.904 6.238 673 HB3 LYS 36 HB3 LYS 36 -1.659 -2.524 7.510 674 HG2 LYS 36 HG2 LYS 36 0.494 -2.919 8.774 675 HG3 LYS 36 HG3 LYS 36 1.267 -2.017 7.556 676 HD2 LYS 36 HD2 LYS 36 0.666 -0.217 8.492 677 HD3 LYS 36 HD3 LYS 36 -1.024 -0.647 8.476 678 HE2 LYS 36 HE2 LYS 36 -0.042 -0.174 10.709 679 HE3 LYS 36 HE3 LYS 36 -0.816 -1.743 10.573 680 HZ1 LYS 36 HZ1 LYS 36 2.109 -1.191 10.437 681 HZ2 LYS 36 HZ2 LYS 36 1.390 -2.718 10.271 682 HZ3 LYS 36 HZ3 LYS 36 1.288 -1.895 11.742 683 H VAL 37 H VAL 37 -0.532 -3.187 4.180 684 HA VAL 37 HA VAL 37 -3.211 -3.179 3.588 685 HB VAL 37 HB VAL 37 -2.573 -3.046 1.246 686 HG11 VAL 37 HG11 VAL 37 -2.282 -1.094 2.911 687 HG12 VAL 37 HG12 VAL 37 -1.520 -0.960 1.329 688 HG13 VAL 37 HG13 VAL 37 -0.553 -1.414 2.736 689 HG21 VAL 37 HG21 VAL 37 -0.050 -2.936 0.819 690 HG22 VAL 37 HG22 VAL 37 -0.871 -4.494 0.864 691 HG23 VAL 37 HG23 VAL 37 0.064 -3.947 2.266 692 H ILE 38 H ILE 38 -0.792 -5.563 2.886 693 HA ILE 38 HA ILE 38 -2.267 -7.427 1.423 694 HB ILE 38 HB ILE 38 -0.074 -8.176 3.342 695 HG12 ILE 38 HG12 ILE 38 0.131 -6.585 0.824 696 HG13 ILE 38 HG13 ILE 38 0.893 -6.299 2.366 697 HG21 ILE 38 HG21 ILE 38 -1.135 -10.005 2.168 698 HG22 ILE 38 HG22 ILE 38 0.527 -9.802 1.618 699 HG23 ILE 38 HG23 ILE 38 -0.805 -9.229 0.622 700 HD11 ILE 38 HD11 ILE 38 2.345 -8.257 1.969 701 HD12 ILE 38 HD12 ILE 38 2.553 -6.965 0.789 702 HD13 ILE 38 HD13 ILE 38 1.636 -8.407 0.361 703 H SER 39 H SER 39 -1.821 -6.752 4.755 704 HA SER 39 HA SER 39 -2.995 -9.159 5.658 705 HB2 SER 39 HB2 SER 39 -1.303 -7.916 6.985 706 HB3 SER 39 HB3 SER 39 -2.481 -6.628 7.222 707 HG SER 39 HG SER 39 -3.063 -9.292 7.957 708 H THR 40 H THR 40 -4.112 -6.076 4.729 709 HA THR 40 HA THR 40 -6.603 -6.167 6.177 710 HB THR 40 HB THR 40 -5.666 -4.254 4.032 711 HG1 THR 40 HG1 THR 40 -4.377 -4.357 6.021 712 HG21 THR 40 HG21 THR 40 -7.362 -2.741 4.920 713 HG22 THR 40 HG22 THR 40 -7.872 -3.970 6.078 714 HG23 THR 40 HG23 THR 40 -8.103 -4.236 4.349 715 H SER 41 H SER 41 -5.579 -6.524 2.779 716 HA SER 41 HA SER 41 -8.327 -6.533 1.888 717 HB2 SER 41 HB2 SER 41 -7.233 -6.776 -0.372 718 HB3 SER 41 HB3 SER 41 -6.783 -5.336 0.542 719 HG SER 41 HG SER 41 -4.912 -6.237 -0.242 720 H THR 42 H THR 42 -6.024 -8.952 2.720 721 HA THR 42 HA THR 42 -6.934 -10.908 0.830 722 HB THR 42 HB THR 42 -5.494 -12.472 2.194 723 HG1 THR 42 HG1 THR 42 -4.229 -10.357 3.435 724 HG21 THR 42 HG21 THR 42 -3.398 -11.442 1.423 725 HG22 THR 42 HG22 THR 42 -4.244 -9.913 1.178 726 HG23 THR 42 HG23 THR 42 -4.663 -11.320 0.199 727 H SER 43 H SER 43 -8.976 -9.820 2.556 728 HA SER 43 HA SER 43 -10.213 -12.337 3.246 729 HB2 SER 43 HB2 SER 43 -9.100 -11.655 5.362 730 HB3 SER 43 HB3 SER 43 -9.964 -10.123 5.305 731 HG SER 43 HG SER 43 -11.927 -11.377 5.368 732 H ASP 44 H ASP 44 -10.445 -10.253 1.253 733 HA ASP 44 HA ASP 44 -13.206 -9.411 1.758 734 HB2 ASP 44 HB2 ASP 44 -11.877 -7.458 2.239 735 HB3 ASP 44 HB3 ASP 44 -10.963 -7.656 0.748 736 HA PRO 45 HA PRO 45 -13.452 -11.137 -2.366 737 HB2 PRO 45 HB2 PRO 45 -16.100 -11.499 -2.376 738 HB3 PRO 45 HB3 PRO 45 -15.077 -12.460 -1.349 739 HG2 PRO 45 HG2 PRO 45 -16.759 -10.236 -0.655 740 HG3 PRO 45 HG3 PRO 45 -16.448 -11.682 0.259 741 HD2 PRO 45 HD2 PRO 45 -15.259 -9.192 0.682 742 HD3 PRO 45 HD3 PRO 45 -14.666 -10.747 1.285 743 H ASP 46 H ASP 46 -12.970 -8.490 -2.312 744 HA ASP 46 HA ASP 46 -14.633 -6.527 -2.988 745 HB2 ASP 46 HB2 ASP 46 -12.239 -6.202 -2.969 746 HB3 ASP 46 HB3 ASP 46 -12.052 -7.203 -4.407 747 H TYR 47 H TYR 47 -13.266 -8.561 -5.592 748 HA TYR 47 HA TYR 47 -15.684 -7.942 -7.128 749 HB2 TYR 47 HB2 TYR 47 -14.313 -8.355 -9.162 750 HB3 TYR 47 HB3 TYR 47 -13.777 -6.979 -8.214 751 HD1 TYR 47 HD1 TYR 47 -11.757 -7.315 -6.680 752 HD2 TYR 47 HD2 TYR 47 -12.835 -10.067 -9.734 753 HE1 TYR 47 HE1 TYR 47 -9.470 -8.221 -6.660 754 HE2 TYR 47 HE2 TYR 47 -10.555 -10.983 -9.719 755 HH TYR 47 HH TYR 47 -8.355 -10.430 -7.287 756 H ALA 48 H ALA 48 -17.018 -9.524 -7.502 757 HA ALA 48 HA ALA 48 -16.079 -12.213 -8.016 758 HB1 ALA 48 HB1 ALA 48 -17.951 -11.653 -5.712 759 HB2 ALA 48 HB2 ALA 48 -16.280 -12.199 -5.575 760 HB3 ALA 48 HB3 ALA 48 -17.493 -13.248 -6.310 Start of MODEL 16 1 H1 SER 0 H1 SER 0 -8.140 11.936 7.142 2 H2 SER 0 H2 SER 0 -7.847 13.555 7.543 3 H3 SER 0 H3 SER 0 -9.427 13.028 7.259 4 HA SER 0 HA SER 0 -7.701 12.092 9.464 5 HB2 SER 0 HB2 SER 0 -8.396 14.475 9.694 6 HB3 SER 0 HB3 SER 0 -10.078 13.975 9.545 7 HG SER 0 HG SER 0 -8.939 14.238 11.750 8 H MET 1 H MET 1 -9.349 11.210 11.228 9 HA MET 1 HA MET 1 -10.716 9.022 10.011 10 HB2 MET 1 HB2 MET 1 -10.637 10.017 12.857 11 HB3 MET 1 HB3 MET 1 -11.534 8.588 12.368 12 HG2 MET 1 HG2 MET 1 -9.461 7.561 11.584 13 HG3 MET 1 HG3 MET 1 -8.568 8.992 12.087 14 HE1 MET 1 HE1 MET 1 -7.895 5.981 12.990 15 HE2 MET 1 HE2 MET 1 -7.500 6.250 14.686 16 HE3 MET 1 HE3 MET 1 -6.942 7.388 13.462 17 H ASP 2 H ASP 2 -11.878 11.794 11.922 18 HA ASP 2 HA ASP 2 -14.615 11.317 11.285 19 HB2 ASP 2 HB2 ASP 2 -13.120 13.533 12.627 20 HB3 ASP 2 HB3 ASP 2 -14.781 13.807 12.111 21 H GLU 3 H GLU 3 -15.995 12.807 10.106 22 HA GLU 3 HA GLU 3 -16.637 13.713 8.136 23 HB2 GLU 3 HB2 GLU 3 -13.982 15.071 8.486 24 HB3 GLU 3 HB3 GLU 3 -14.964 15.348 7.056 25 HG2 GLU 3 HG2 GLU 3 -15.422 17.094 8.576 26 HG3 GLU 3 HG3 GLU 3 -16.826 16.041 8.561 27 H THR 4 H THR 4 -15.956 11.197 7.910 28 HA THR 4 HA THR 4 -13.875 10.621 6.059 29 HB THR 4 HB THR 4 -16.282 8.881 6.574 30 HG1 THR 4 HG1 THR 4 -14.036 9.419 8.237 31 HG21 THR 4 HG21 THR 4 -13.388 8.241 5.990 32 HG22 THR 4 HG22 THR 4 -14.718 8.140 4.836 33 HG23 THR 4 HG23 THR 4 -14.678 7.065 6.234 34 H VAL 5 H VAL 5 -13.904 11.159 3.966 35 HA VAL 5 HA VAL 5 -16.157 12.028 2.548 36 HB VAL 5 HB VAL 5 -14.794 11.795 0.508 37 HG11 VAL 5 HG11 VAL 5 -13.027 13.364 1.158 38 HG12 VAL 5 HG12 VAL 5 -13.340 13.007 2.856 39 HG13 VAL 5 HG13 VAL 5 -14.579 13.794 1.876 40 HG21 VAL 5 HG21 VAL 5 -12.780 10.553 2.365 41 HG22 VAL 5 HG22 VAL 5 -12.477 11.020 0.691 42 HG23 VAL 5 HG23 VAL 5 -13.635 9.741 1.058 43 H LYS 6 H LYS 6 -17.303 11.045 0.803 44 HA LYS 6 HA LYS 6 -17.608 8.155 1.250 45 HB2 LYS 6 HB2 LYS 6 -19.637 10.265 0.565 46 HB3 LYS 6 HB3 LYS 6 -19.977 8.549 0.470 47 HG2 LYS 6 HG2 LYS 6 -19.029 9.890 2.963 48 HG3 LYS 6 HG3 LYS 6 -20.731 9.674 2.566 49 HD2 LYS 6 HD2 LYS 6 -20.467 7.281 2.543 50 HD3 LYS 6 HD3 LYS 6 -18.729 7.433 2.766 51 HE2 LYS 6 HE2 LYS 6 -20.744 8.437 4.737 52 HE3 LYS 6 HE3 LYS 6 -20.022 6.835 4.823 53 HZ1 LYS 6 HZ1 LYS 6 -18.536 9.408 4.914 54 HZ2 LYS 6 HZ2 LYS 6 -17.851 7.862 5.013 55 HZ3 LYS 6 HZ3 LYS 6 -18.873 8.412 6.241 56 H LEU 7 H LEU 7 -18.580 6.955 -0.559 57 HA LEU 7 HA LEU 7 -18.451 6.089 -2.626 58 HB2 LEU 7 HB2 LEU 7 -18.480 9.000 -3.354 59 HB3 LEU 7 HB3 LEU 7 -18.345 7.760 -4.570 60 HG LEU 7 HG LEU 7 -20.504 6.796 -3.663 61 HD11 LEU 7 HD11 LEU 7 -20.563 9.482 -2.328 62 HD12 LEU 7 HD12 LEU 7 -20.491 7.913 -1.529 63 HD13 LEU 7 HD13 LEU 7 -21.925 8.370 -2.447 64 HD21 LEU 7 HD21 LEU 7 -20.372 8.038 -5.760 65 HD22 LEU 7 HD22 LEU 7 -20.550 9.555 -4.877 66 HD23 LEU 7 HD23 LEU 7 -21.873 8.390 -4.903 67 H ASN 8 H ASN 8 -16.459 8.775 -3.696 68 HA ASN 8 HA ASN 8 -14.342 6.846 -4.194 69 HB2 ASN 8 HB2 ASN 8 -13.337 9.258 -5.064 70 HB3 ASN 8 HB3 ASN 8 -14.124 8.078 -6.086 71 HD21 ASN 8 HD21 ASN 8 -14.987 9.487 -7.509 72 HD22 ASN 8 HD22 ASN 8 -16.199 10.655 -7.111 73 H HIS 9 H HIS 9 -12.585 6.674 -3.024 74 HA HIS 9 HA HIS 9 -11.666 9.026 -1.503 75 HB2 HIS 9 HB2 HIS 9 -11.009 6.099 -1.144 76 HB3 HIS 9 HB3 HIS 9 -10.128 7.387 -0.349 77 HD1 HIS 9 HD1 HIS 9 -10.836 7.657 1.982 78 HD2 HIS 9 HD2 HIS 9 -13.995 6.474 -0.444 79 HE1 HIS 9 HE1 HIS 9 -12.817 7.446 3.512 80 HE2 HIS 9 HE2 HIS 9 -14.756 6.967 1.978 81 H THR 10 H THR 10 -9.612 9.769 -1.987 82 HA THR 10 HA THR 10 -8.761 9.033 -4.655 83 HB THR 10 HB THR 10 -7.642 11.171 -2.806 84 HG1 THR 10 HG1 THR 10 -8.961 12.372 -4.640 85 HG21 THR 10 HG21 THR 10 -7.373 10.819 -5.794 86 HG22 THR 10 HG22 THR 10 -6.106 10.505 -4.609 87 HG23 THR 10 HG23 THR 10 -6.711 12.145 -4.839 88 H CYS 11 H CYS 11 -7.042 7.887 -5.184 89 HA CYS 11 HA CYS 11 -5.756 6.297 -3.208 90 HB2 CYS 11 HB2 CYS 11 -6.235 5.750 -5.646 91 HB3 CYS 11 HB3 CYS 11 -4.856 6.752 -6.035 92 H VAL 12 H VAL 12 -3.965 6.640 -2.082 93 HA VAL 12 HA VAL 12 -2.333 8.936 -2.282 94 HB VAL 12 HB VAL 12 -0.733 7.723 -0.850 95 HG11 VAL 12 HG11 VAL 12 -3.612 7.399 -0.040 96 HG12 VAL 12 HG12 VAL 12 -2.569 8.790 0.266 97 HG13 VAL 12 HG13 VAL 12 -2.235 7.244 1.052 98 HG21 VAL 12 HG21 VAL 12 -1.253 5.431 -0.100 99 HG22 VAL 12 HG22 VAL 12 -0.870 5.516 -1.819 100 HG23 VAL 12 HG23 VAL 12 -2.547 5.356 -1.297 101 H ILE 13 H ILE 13 -2.498 6.109 -4.172 102 HA ILE 13 HA ILE 13 0.311 6.178 -4.904 103 HB ILE 13 HB ILE 13 -1.758 4.270 -5.923 104 HG12 ILE 13 HG12 ILE 13 -1.646 4.226 -3.448 105 HG13 ILE 13 HG13 ILE 13 -1.088 2.732 -4.190 106 HG21 ILE 13 HG21 ILE 13 0.188 2.845 -6.352 107 HG22 ILE 13 HG22 ILE 13 1.242 4.133 -5.768 108 HG23 ILE 13 HG23 ILE 13 0.280 4.372 -7.227 109 HD11 ILE 13 HD11 ILE 13 0.708 4.930 -3.280 110 HD12 ILE 13 HD12 ILE 13 1.167 3.317 -3.830 111 HD13 ILE 13 HD13 ILE 13 0.276 3.521 -2.316 112 H CYS 14 H CYS 14 -2.744 5.947 -6.715 113 HA CYS 14 HA CYS 14 -1.341 7.037 -8.987 114 HB2 CYS 14 HB2 CYS 14 -3.250 6.179 -10.305 115 HB3 CYS 14 HB3 CYS 14 -2.389 4.938 -9.431 116 H ASP 15 H ASP 15 -2.996 8.229 -6.534 117 HA ASP 15 HA ASP 15 -4.072 10.159 -6.068 118 HB2 ASP 15 HB2 ASP 15 -2.705 10.954 -8.621 119 HB3 ASP 15 HB3 ASP 15 -3.530 12.074 -7.553 120 H GLN 16 H GLN 16 -5.565 8.230 -7.484 121 HA GLN 16 HA GLN 16 -7.410 9.856 -9.056 122 HB2 GLN 16 HB2 GLN 16 -6.946 6.882 -9.065 123 HB3 GLN 16 HB3 GLN 16 -8.124 7.723 -10.056 124 HG2 GLN 16 HG2 GLN 16 -5.161 8.038 -10.165 125 HG3 GLN 16 HG3 GLN 16 -6.147 7.154 -11.306 126 HE21 GLN 16 HE21 GLN 16 -4.351 9.352 -11.754 127 HE22 GLN 16 HE22 GLN 16 -5.292 10.599 -12.484 128 H GLU 17 H GLU 17 -9.559 9.762 -8.618 129 HA GLU 17 HA GLU 17 -10.390 9.134 -5.951 130 HB2 GLU 17 HB2 GLU 17 -11.868 10.176 -8.362 131 HB3 GLU 17 HB3 GLU 17 -12.648 9.868 -6.818 132 HG2 GLU 17 HG2 GLU 17 -11.247 11.497 -5.738 133 HG3 GLU 17 HG3 GLU 17 -10.344 11.735 -7.227 134 H LYS 18 H LYS 18 -10.405 7.063 -5.555 135 HA LYS 18 HA LYS 18 -11.836 5.283 -7.391 136 HB2 LYS 18 HB2 LYS 18 -10.007 4.327 -5.287 137 HB3 LYS 18 HB3 LYS 18 -10.470 3.539 -6.760 138 HG2 LYS 18 HG2 LYS 18 -8.563 5.816 -6.428 139 HG3 LYS 18 HG3 LYS 18 -8.218 4.187 -7.006 140 HD2 LYS 18 HD2 LYS 18 -10.166 5.879 -8.459 141 HD3 LYS 18 HD3 LYS 18 -8.470 6.164 -8.666 142 HE2 LYS 18 HE2 LYS 18 -9.238 4.741 -10.417 143 HE3 LYS 18 HE3 LYS 18 -8.202 3.848 -9.331 144 HZ1 LYS 18 HZ1 LYS 18 -10.163 2.584 -10.005 145 HZ2 LYS 18 HZ2 LYS 18 -11.159 3.748 -9.294 146 HZ3 LYS 18 HZ3 LYS 18 -10.123 2.821 -8.332 147 H ASN 19 H ASN 19 -13.498 4.048 -6.669 148 HA ASN 19 HA ASN 19 -14.496 4.861 -4.055 149 HB2 ASN 19 HB2 ASN 19 -16.660 4.198 -4.786 150 HB3 ASN 19 HB3 ASN 19 -15.924 5.107 -6.093 151 HD21 ASN 19 HD21 ASN 19 -15.381 4.099 -7.998 152 HD22 ASN 19 HD22 ASN 19 -15.943 2.480 -8.396 153 H ARG 20 H ARG 20 -12.688 2.374 -5.237 154 HA ARG 20 HA ARG 20 -13.416 0.794 -2.892 155 HB2 ARG 20 HB2 ARG 20 -14.449 -0.164 -5.049 156 HB3 ARG 20 HB3 ARG 20 -12.809 -0.620 -5.455 157 HG2 ARG 20 HG2 ARG 20 -12.637 -1.985 -3.508 158 HG3 ARG 20 HG3 ARG 20 -14.187 -1.415 -2.928 159 HD2 ARG 20 HD2 ARG 20 -15.380 -2.523 -4.546 160 HD3 ARG 20 HD3 ARG 20 -13.953 -2.734 -5.538 161 HE ARG 20 HE ARG 20 -13.401 -4.113 -3.242 162 HH11 ARG 20 HH11 ARG 20 -15.903 -4.231 -5.679 163 HH12 ARG 20 HH12 ARG 20 -16.230 -5.919 -5.457 164 HH21 ARG 20 HH21 ARG 20 -13.827 -6.347 -2.935 165 HH22 ARG 20 HH22 ARG 20 -15.050 -7.123 -3.888 166 H GLY 21 H GLY 21 -11.792 -0.194 -1.877 167 HA2 GLY 21 HA2 GLY 21 -9.329 -1.011 -2.562 168 HA3 GLY 21 HA3 GLY 21 -9.105 0.730 -2.459 169 H ILE 22 H ILE 22 -7.672 0.341 -0.510 170 HA ILE 22 HA ILE 22 -9.321 -0.358 1.811 171 HB ILE 22 HB ILE 22 -7.608 -1.510 2.811 172 HG12 ILE 22 HG12 ILE 22 -5.732 0.002 1.031 173 HG13 ILE 22 HG13 ILE 22 -6.002 0.271 2.713 174 HG21 ILE 22 HG21 ILE 22 -7.193 -1.902 -0.147 175 HG22 ILE 22 HG22 ILE 22 -8.216 -2.848 0.938 176 HG23 ILE 22 HG23 ILE 22 -6.455 -2.931 1.083 177 HD11 ILE 22 HD11 ILE 22 -3.914 -0.922 2.286 178 HD12 ILE 22 HD12 ILE 22 -4.841 -2.237 1.560 179 HD13 ILE 22 HD13 ILE 22 -5.037 -1.857 3.273 180 H HIS 23 H HIS 23 -7.879 0.388 3.798 181 HA HIS 23 HA HIS 23 -6.836 3.027 3.565 182 HB2 HIS 23 HB2 HIS 23 -8.612 4.092 5.011 183 HB3 HIS 23 HB3 HIS 23 -9.126 3.712 3.384 184 HD1 HIS 23 HD1 HIS 23 -9.818 2.957 6.952 185 HD2 HIS 23 HD2 HIS 23 -10.995 1.659 3.204 186 HE1 HIS 23 HE1 HIS 23 -11.910 1.616 7.338 187 HE2 HIS 23 HE2 HIS 23 -12.501 0.686 5.074 188 H LEU 24 H LEU 24 -5.200 2.938 4.932 189 HA LEU 24 HA LEU 24 -5.232 1.025 7.086 190 HB2 LEU 24 HB2 LEU 24 -3.118 2.824 5.933 191 HB3 LEU 24 HB3 LEU 24 -2.851 1.771 7.271 192 HG LEU 24 HG LEU 24 -3.629 0.852 4.518 193 HD11 LEU 24 HD11 LEU 24 -1.348 -0.038 4.423 194 HD12 LEU 24 HD12 LEU 24 -0.996 0.716 5.978 195 HD13 LEU 24 HD13 LEU 24 -1.360 1.717 4.575 196 HD21 LEU 24 HD21 LEU 24 -2.882 -0.685 7.001 197 HD22 LEU 24 HD22 LEU 24 -3.099 -1.386 5.397 198 HD23 LEU 24 HD23 LEU 24 -4.468 -0.647 6.227 199 H TYR 25 H TYR 25 -4.125 4.358 6.807 200 HA TYR 25 HA TYR 25 -4.850 4.800 9.583 201 HB2 TYR 25 HB2 TYR 25 -3.164 6.428 7.721 202 HB3 TYR 25 HB3 TYR 25 -3.514 6.889 9.372 203 HD1 TYR 25 HD1 TYR 25 -2.914 3.384 8.514 204 HD2 TYR 25 HD2 TYR 25 -1.114 6.965 9.924 205 HE1 TYR 25 HE1 TYR 25 -0.970 2.096 9.247 206 HE2 TYR 25 HE2 TYR 25 0.837 5.683 10.686 207 HH TYR 25 HH TYR 25 1.464 3.445 11.275 208 H THR 26 H THR 26 -4.674 7.600 7.686 209 HA THR 26 HA THR 26 -7.597 7.673 7.442 210 HB THR 26 HB THR 26 -6.893 9.545 8.705 211 HG1 THR 26 HG1 THR 26 -7.571 10.044 6.042 212 HG21 THR 26 HG21 THR 26 -4.816 10.134 6.598 213 HG22 THR 26 HG22 THR 26 -4.494 9.403 8.170 214 HG23 THR 26 HG23 THR 26 -5.106 11.056 8.073 215 H LYS 27 H LYS 27 -5.096 6.702 5.698 216 HA LYS 27 HA LYS 27 -5.601 8.237 3.277 217 HB2 LYS 27 HB2 LYS 27 -3.730 6.095 2.905 218 HB3 LYS 27 HB3 LYS 27 -3.477 7.825 2.772 219 HG2 LYS 27 HG2 LYS 27 -3.399 6.262 5.320 220 HG3 LYS 27 HG3 LYS 27 -1.994 6.750 4.381 221 HD2 LYS 27 HD2 LYS 27 -4.013 8.597 5.615 222 HD3 LYS 27 HD3 LYS 27 -2.417 8.267 6.252 223 HE2 LYS 27 HE2 LYS 27 -2.090 8.984 3.544 224 HE3 LYS 27 HE3 LYS 27 -3.239 10.127 4.223 225 HZ1 LYS 27 HZ1 LYS 27 -0.971 10.924 4.445 226 HZ2 LYS 27 HZ2 LYS 27 -0.543 9.558 5.342 227 HZ3 LYS 27 HZ3 LYS 27 -1.656 10.663 5.963 228 H PHE 28 H PHE 28 -5.120 6.753 1.301 229 HA PHE 28 HA PHE 28 -6.738 4.352 1.355 230 HB2 PHE 28 HB2 PHE 28 -8.406 6.023 0.964 231 HB3 PHE 28 HB3 PHE 28 -7.417 6.815 -0.252 232 HD1 PHE 28 HD1 PHE 28 -7.449 6.149 -2.485 233 HD2 PHE 28 HD2 PHE 28 -9.385 3.752 0.443 234 HE1 PHE 28 HE1 PHE 28 -8.471 4.821 -4.264 235 HE2 PHE 28 HE2 PHE 28 -10.423 2.406 -1.348 236 HZ PHE 28 HZ PHE 28 -9.954 2.933 -3.720 237 H ILE 29 H ILE 29 -5.246 2.982 0.522 238 HA ILE 29 HA ILE 29 -4.083 3.643 -2.084 239 HB ILE 29 HB ILE 29 -3.969 0.992 -0.612 240 HG12 ILE 29 HG12 ILE 29 -1.414 1.752 -0.589 241 HG13 ILE 29 HG13 ILE 29 -2.141 3.353 -0.583 242 HG21 ILE 29 HG21 ILE 29 -3.821 0.795 -3.040 243 HG22 ILE 29 HG22 ILE 29 -2.284 0.388 -2.265 244 HG23 ILE 29 HG23 ILE 29 -2.483 1.951 -3.050 245 HD11 ILE 29 HD11 ILE 29 -1.582 2.390 1.661 246 HD12 ILE 29 HD12 ILE 29 -2.873 1.217 1.393 247 HD13 ILE 29 HD13 ILE 29 -3.246 2.939 1.462 248 H CYS 30 H CYS 30 -5.239 3.235 -3.897 249 HA CYS 30 HA CYS 30 -7.814 2.056 -3.645 250 HB2 CYS 30 HB2 CYS 30 -8.183 2.556 -5.867 251 HB3 CYS 30 HB3 CYS 30 -6.989 3.766 -5.425 252 H LEU 31 H LEU 31 -8.551 0.268 -4.723 253 HA LEU 31 HA LEU 31 -7.434 -2.011 -3.776 254 HB2 LEU 31 HB2 LEU 31 -9.236 -3.060 -4.714 255 HB3 LEU 31 HB3 LEU 31 -9.802 -1.433 -4.557 256 HG LEU 31 HG LEU 31 -8.894 -1.330 -7.081 257 HD11 LEU 31 HD11 LEU 31 -9.504 -3.365 -8.268 258 HD12 LEU 31 HD12 LEU 31 -9.852 -4.168 -6.737 259 HD13 LEU 31 HD13 LEU 31 -8.203 -3.672 -7.119 260 HD21 LEU 31 HD21 LEU 31 -11.221 -1.704 -7.787 261 HD22 LEU 31 HD22 LEU 31 -11.091 -0.650 -6.380 262 HD23 LEU 31 HD23 LEU 31 -11.584 -2.331 -6.179 263 H ASP 32 H ASP 32 -6.645 -0.403 -6.654 264 HA ASP 32 HA ASP 32 -5.743 -2.745 -8.097 265 HB2 ASP 32 HB2 ASP 32 -6.761 -0.575 -9.081 266 HB3 ASP 32 HB3 ASP 32 -5.150 0.065 -8.858 267 H CYS 33 H CYS 33 -4.464 0.072 -6.572 268 HA CYS 33 HA CYS 33 -1.732 -0.572 -6.911 269 HB2 CYS 33 HB2 CYS 33 -3.022 1.480 -5.133 270 HB3 CYS 33 HB3 CYS 33 -1.310 1.304 -5.411 271 H GLU 34 H GLU 34 -4.145 -0.957 -4.513 272 HA GLU 34 HA GLU 34 -2.635 -1.715 -2.329 273 HB2 GLU 34 HB2 GLU 34 -4.958 -1.226 -2.102 274 HB3 GLU 34 HB3 GLU 34 -5.399 -2.456 -3.237 275 HG2 GLU 34 HG2 GLU 34 -4.004 -3.537 -0.961 276 HG3 GLU 34 HG3 GLU 34 -5.459 -2.680 -0.522 277 H ARG 35 H ARG 35 -3.896 -3.623 -4.983 278 HA ARG 35 HA ARG 35 -2.546 -5.968 -4.048 279 HB2 ARG 35 HB2 ARG 35 -3.079 -6.998 -6.245 280 HB3 ARG 35 HB3 ARG 35 -4.484 -6.377 -5.396 281 HG2 ARG 35 HG2 ARG 35 -4.530 -4.434 -6.833 282 HG3 ARG 35 HG3 ARG 35 -3.070 -4.983 -7.640 283 HD2 ARG 35 HD2 ARG 35 -5.608 -6.532 -7.566 284 HD3 ARG 35 HD3 ARG 35 -5.162 -5.459 -8.880 285 HE ARG 35 HE ARG 35 -3.056 -7.233 -8.513 286 HH11 ARG 35 HH11 ARG 35 -6.422 -7.363 -9.440 287 HH12 ARG 35 HH12 ARG 35 -6.222 -8.751 -10.459 288 HH21 ARG 35 HH21 ARG 35 -2.784 -9.069 -9.848 289 HH22 ARG 35 HH22 ARG 35 -4.154 -9.722 -10.693 290 H LYS 36 H LYS 36 -1.584 -3.276 -5.888 291 HA LYS 36 HA LYS 36 0.384 -4.440 -7.525 292 HB2 LYS 36 HB2 LYS 36 -0.001 -1.653 -6.467 293 HB3 LYS 36 HB3 LYS 36 1.265 -2.090 -7.572 294 HG2 LYS 36 HG2 LYS 36 -0.639 -2.865 -9.088 295 HG3 LYS 36 HG3 LYS 36 -1.669 -1.995 -8.034 296 HD2 LYS 36 HD2 LYS 36 -0.629 -0.030 -8.566 297 HD3 LYS 36 HD3 LYS 36 0.723 -0.794 -9.358 298 HE2 LYS 36 HE2 LYS 36 -0.847 -1.621 -11.080 299 HE3 LYS 36 HE3 LYS 36 -2.147 -0.736 -10.288 300 HZ1 LYS 36 HZ1 LYS 36 0.294 0.480 -11.461 301 HZ2 LYS 36 HZ2 LYS 36 -0.980 1.325 -10.731 302 HZ3 LYS 36 HZ3 LYS 36 -1.242 0.478 -12.170 303 H VAL 37 H VAL 37 0.277 -2.940 -4.416 304 HA VAL 37 HA VAL 37 2.943 -2.839 -3.784 305 HB VAL 37 HB VAL 37 2.299 -2.888 -1.442 306 HG11 VAL 37 HG11 VAL 37 1.048 -0.887 -1.372 307 HG12 VAL 37 HG12 VAL 37 0.238 -1.261 -2.896 308 HG13 VAL 37 HG13 VAL 37 1.952 -0.824 -2.886 309 HG21 VAL 37 HG21 VAL 37 -0.266 -3.886 -2.526 310 HG22 VAL 37 HG22 VAL 37 -0.242 -2.941 -1.035 311 HG23 VAL 37 HG23 VAL 37 0.683 -4.439 -1.140 312 H ILE 38 H ILE 38 0.664 -5.404 -3.275 313 HA ILE 38 HA ILE 38 2.263 -7.170 -1.794 314 HB ILE 38 HB ILE 38 0.076 -8.082 -3.639 315 HG12 ILE 38 HG12 ILE 38 -0.159 -6.457 -1.145 316 HG13 ILE 38 HG13 ILE 38 -0.975 -6.235 -2.673 317 HG21 ILE 38 HG21 ILE 38 1.234 -9.825 -2.477 318 HG22 ILE 38 HG22 ILE 38 -0.379 -9.654 -1.785 319 HG23 ILE 38 HG23 ILE 38 1.018 -8.996 -0.940 320 HD11 ILE 38 HD11 ILE 38 -2.326 -7.108 -0.679 321 HD12 ILE 38 HD12 ILE 38 -1.529 -8.647 -1.008 322 HD13 ILE 38 HD13 ILE 38 -2.524 -7.890 -2.246 323 H SER 39 H SER 39 1.834 -6.461 -5.096 324 HA SER 39 HA SER 39 3.208 -8.747 -6.045 325 HB2 SER 39 HB2 SER 39 1.530 -7.544 -7.419 326 HB3 SER 39 HB3 SER 39 2.631 -6.171 -7.510 327 HG SER 39 HG SER 39 3.560 -8.702 -8.292 328 H THR 40 H THR 40 4.038 -5.534 -5.106 329 HA THR 40 HA THR 40 6.739 -5.616 -6.125 330 HB THR 40 HB THR 40 5.475 -3.657 -4.204 331 HG1 THR 40 HG1 THR 40 4.398 -3.910 -6.317 332 HG21 THR 40 HG21 THR 40 7.861 -3.400 -6.035 333 HG22 THR 40 HG22 THR 40 7.913 -3.530 -4.277 334 HG23 THR 40 HG23 THR 40 7.186 -2.113 -5.036 335 H SER 41 H SER 41 5.084 -6.219 -3.124 336 HA SER 41 HA SER 41 7.280 -6.010 -1.359 337 HB2 SER 41 HB2 SER 41 5.760 -7.146 0.258 338 HB3 SER 41 HB3 SER 41 5.051 -5.733 -0.519 339 HG SER 41 HG SER 41 3.552 -7.353 -0.576 340 H THR 42 H THR 42 6.809 -8.239 -3.687 341 HA THR 42 HA THR 42 7.137 -10.715 -2.370 342 HB THR 42 HB THR 42 7.505 -11.619 -4.623 343 HG1 THR 42 HG1 THR 42 8.729 -9.851 -5.461 344 HG21 THR 42 HG21 THR 42 5.324 -9.530 -4.494 345 HG22 THR 42 HG22 THR 42 5.219 -11.176 -3.867 346 HG23 THR 42 HG23 THR 42 5.369 -10.904 -5.601 347 H SER 43 H SER 43 9.086 -9.201 -1.285 348 HA SER 43 HA SER 43 11.172 -9.564 -0.488 349 HB2 SER 43 HB2 SER 43 11.588 -11.381 -2.867 350 HB3 SER 43 HB3 SER 43 12.728 -11.160 -1.540 351 HG SER 43 HG SER 43 10.170 -12.362 -1.508 352 H ASP 44 H ASP 44 11.716 -7.502 -0.670 353 HA ASP 44 HA ASP 44 13.494 -6.830 -2.903 354 HB2 ASP 44 HB2 ASP 44 11.334 -5.731 -3.365 355 HB3 ASP 44 HB3 ASP 44 11.376 -4.981 -1.775 356 HA PRO 45 HA PRO 45 15.533 -5.986 1.100 357 HB2 PRO 45 HB2 PRO 45 17.967 -6.873 -0.144 358 HB3 PRO 45 HB3 PRO 45 17.066 -7.660 1.129 359 HG2 PRO 45 HG2 PRO 45 17.359 -8.614 -1.355 360 HG3 PRO 45 HG3 PRO 45 16.054 -9.067 -0.274 361 HD2 PRO 45 HD2 PRO 45 16.024 -7.197 -2.592 362 HD3 PRO 45 HD3 PRO 45 14.749 -8.271 -1.984 363 H ASP 46 H ASP 46 17.277 -4.550 1.617 364 HA ASP 46 HA ASP 46 17.582 -2.442 -0.391 365 HB2 ASP 46 HB2 ASP 46 16.760 -1.840 1.880 366 HB3 ASP 46 HB3 ASP 46 18.281 -2.410 2.558 367 H TYR 47 H TYR 47 19.281 -4.960 1.153 368 HA TYR 47 HA TYR 47 21.770 -4.080 -0.127 369 HB2 TYR 47 HB2 TYR 47 21.439 -5.683 2.392 370 HB3 TYR 47 HB3 TYR 47 22.973 -5.354 1.612 371 HD1 TYR 47 HD1 TYR 47 23.870 -3.043 1.582 372 HD2 TYR 47 HD2 TYR 47 20.360 -4.054 3.762 373 HE1 TYR 47 HE1 TYR 47 24.073 -0.957 2.866 374 HE2 TYR 47 HE2 TYR 47 20.552 -1.972 5.049 375 HH TYR 47 HH TYR 47 22.183 -0.334 5.676 376 H ALA 48 H ALA 48 22.136 -5.271 -1.857 377 HA ALA 48 HA ALA 48 22.354 -7.007 -3.287 378 HB1 ALA 48 HB1 ALA 48 22.942 -9.184 -2.390 379 HB2 ALA 48 HB2 ALA 48 22.367 -8.703 -0.794 380 HB3 ALA 48 HB3 ALA 48 23.773 -7.908 -1.501 381 H1 SER 0 H1 SER 0 8.225 11.768 -7.435 382 H2 SER 0 H2 SER 0 7.950 13.390 -7.835 383 H3 SER 0 H3 SER 0 9.525 12.842 -7.555 384 HA SER 0 HA SER 0 7.779 11.927 -9.755 385 HB2 SER 0 HB2 SER 0 8.512 14.299 -9.987 386 HB3 SER 0 HB3 SER 0 10.186 13.771 -9.844 387 HG SER 0 HG SER 0 9.049 14.053 -12.048 388 H MET 1 H MET 1 9.417 11.016 -11.521 389 HA MET 1 HA MET 1 10.747 8.805 -10.297 390 HB2 MET 1 HB2 MET 1 10.677 9.794 -13.147 391 HB3 MET 1 HB3 MET 1 11.552 8.350 -12.656 392 HG2 MET 1 HG2 MET 1 9.465 7.360 -11.860 393 HG3 MET 1 HG3 MET 1 8.592 8.804 -12.366 394 HE1 MET 1 HE1 MET 1 7.864 5.802 -13.254 395 HE2 MET 1 HE2 MET 1 7.471 6.069 -14.952 396 HE3 MET 1 HE3 MET 1 6.935 7.224 -13.732 397 H ASP 2 H ASP 2 11.948 11.551 -12.225 398 HA ASP 2 HA ASP 2 14.679 11.036 -11.589 399 HB2 ASP 2 HB2 ASP 2 13.217 13.269 -12.938 400 HB3 ASP 2 HB3 ASP 2 14.884 13.517 -12.426 401 H GLU 3 H GLU 3 16.083 12.504 -10.419 402 HA GLU 3 HA GLU 3 16.747 13.402 -8.455 403 HB2 GLU 3 HB2 GLU 3 14.116 14.805 -8.798 404 HB3 GLU 3 HB3 GLU 3 15.108 15.069 -7.373 405 HG2 GLU 3 HG2 GLU 3 15.590 16.802 -8.899 406 HG3 GLU 3 HG3 GLU 3 16.976 15.723 -8.888 407 H THR 4 H THR 4 16.027 10.898 -8.219 408 HA THR 4 HA THR 4 13.943 10.364 -6.360 409 HB THR 4 HB THR 4 16.319 8.581 -6.881 410 HG1 THR 4 HG1 THR 4 14.074 9.155 -8.532 411 HG21 THR 4 HG21 THR 4 13.416 7.994 -6.283 412 HG22 THR 4 HG22 THR 4 14.747 7.874 -5.133 413 HG23 THR 4 HG23 THR 4 14.685 6.792 -6.525 414 H VAL 5 H VAL 5 13.989 10.918 -4.272 415 HA VAL 5 HA VAL 5 16.259 11.748 -2.862 416 HB VAL 5 HB VAL 5 14.897 11.541 -0.818 417 HG11 VAL 5 HG11 VAL 5 13.155 13.137 -1.465 418 HG12 VAL 5 HG12 VAL 5 13.458 12.771 -3.162 419 HG13 VAL 5 HG13 VAL 5 14.712 13.539 -2.189 420 HG21 VAL 5 HG21 VAL 5 12.859 10.328 -2.665 421 HG22 VAL 5 HG22 VAL 5 12.568 10.803 -0.992 422 HG23 VAL 5 HG23 VAL 5 13.703 9.503 -1.358 423 H LYS 6 H LYS 6 17.397 10.752 -1.116 424 HA LYS 6 HA LYS 6 17.653 7.859 -1.553 425 HB2 LYS 6 HB2 LYS 6 19.708 9.930 -0.880 426 HB3 LYS 6 HB3 LYS 6 20.028 8.208 -0.771 427 HG2 LYS 6 HG2 LYS 6 19.095 9.562 -3.286 428 HG3 LYS 6 HG3 LYS 6 20.795 9.316 -2.882 429 HD2 LYS 6 HD2 LYS 6 20.495 6.928 -2.854 430 HD3 LYS 6 HD3 LYS 6 18.758 7.105 -3.069 431 HE2 LYS 6 HE2 LYS 6 20.780 8.070 -5.053 432 HE3 LYS 6 HE3 LYS 6 20.026 6.484 -5.132 433 HZ1 LYS 6 HZ1 LYS 6 18.586 9.083 -5.217 434 HZ2 LYS 6 HZ2 LYS 6 17.876 7.548 -5.313 435 HZ3 LYS 6 HZ3 LYS 6 18.898 8.081 -6.547 436 H LEU 7 H LEU 7 18.603 6.644 0.255 437 HA LEU 7 HA LEU 7 18.468 5.784 2.325 438 HB2 LEU 7 HB2 LEU 7 18.550 8.695 3.046 439 HB3 LEU 7 HB3 LEU 7 18.397 7.463 4.266 440 HG LEU 7 HG LEU 7 20.538 6.457 3.353 441 HD11 LEU 7 HD11 LEU 7 20.635 9.138 2.012 442 HD12 LEU 7 HD12 LEU 7 20.539 7.569 1.217 443 HD13 LEU 7 HD13 LEU 7 21.982 8.008 2.131 444 HD21 LEU 7 HD21 LEU 7 20.435 7.707 5.446 445 HD22 LEU 7 HD22 LEU 7 20.634 9.218 4.559 446 HD23 LEU 7 HD23 LEU 7 21.938 8.031 4.583 447 H ASN 8 H ASN 8 16.526 8.506 3.397 448 HA ASN 8 HA ASN 8 14.377 6.614 3.903 449 HB2 ASN 8 HB2 ASN 8 13.414 9.044 4.772 450 HB3 ASN 8 HB3 ASN 8 14.186 7.854 5.793 451 HD21 ASN 8 HD21 ASN 8 15.081 9.256 7.210 452 HD22 ASN 8 HD22 ASN 8 16.308 10.403 6.800 453 H HIS 9 H HIS 9 12.619 6.466 2.734 454 HA HIS 9 HA HIS 9 11.729 8.830 1.215 455 HB2 HIS 9 HB2 HIS 9 11.024 5.911 0.867 456 HB3 HIS 9 HB3 HIS 9 10.163 7.212 0.071 457 HD1 HIS 9 HD1 HIS 9 10.866 7.465 -2.269 458 HD2 HIS 9 HD2 HIS 9 14.013 6.232 0.154 459 HE1 HIS 9 HE1 HIS 9 12.842 7.217 -3.802 460 HE2 HIS 9 HE2 HIS 9 14.778 6.698 -2.272 461 H THR 10 H THR 10 9.684 9.603 1.699 462 HA THR 10 HA THR 10 8.834 8.893 4.375 463 HB THR 10 HB THR 10 7.749 11.045 2.523 464 HG1 THR 10 HG1 THR 10 9.091 12.231 4.348 465 HG21 THR 10 HG21 THR 10 7.479 10.707 5.515 466 HG22 THR 10 HG22 THR 10 6.205 10.411 4.331 467 HG23 THR 10 HG23 THR 10 6.838 12.042 4.556 468 H CYS 11 H CYS 11 7.102 7.775 4.908 469 HA CYS 11 HA CYS 11 5.782 6.201 2.943 470 HB2 CYS 11 HB2 CYS 11 6.257 5.655 5.381 471 HB3 CYS 11 HB3 CYS 11 4.897 6.681 5.770 472 H VAL 12 H VAL 12 3.990 6.569 1.824 473 HA VAL 12 HA VAL 12 2.402 8.894 2.021 474 HB VAL 12 HB VAL 12 0.776 7.705 0.596 475 HG11 VAL 12 HG11 VAL 12 3.649 7.333 -0.221 476 HG12 VAL 12 HG12 VAL 12 2.627 8.738 -0.527 477 HG13 VAL 12 HG13 VAL 12 2.268 7.198 -1.310 478 HG21 VAL 12 HG21 VAL 12 1.256 5.402 -0.150 479 HG22 VAL 12 HG22 VAL 12 0.879 5.498 1.570 480 HG23 VAL 12 HG23 VAL 12 2.551 5.311 1.044 481 H ILE 13 H ILE 13 2.521 6.070 3.921 482 HA ILE 13 HA ILE 13 -0.287 6.189 4.659 483 HB ILE 13 HB ILE 13 1.758 4.252 5.677 484 HG12 ILE 13 HG12 ILE 13 1.639 4.201 3.203 485 HG13 ILE 13 HG13 ILE 13 1.058 2.718 3.950 486 HG21 ILE 13 HG21 ILE 13 -0.209 2.858 6.118 487 HG22 ILE 13 HG22 ILE 13 -1.245 4.159 5.534 488 HG23 ILE 13 HG23 ILE 13 -0.273 4.390 6.988 489 HD11 ILE 13 HD11 ILE 13 -0.705 4.942 3.036 490 HD12 ILE 13 HD12 ILE 13 -1.189 3.340 3.594 491 HD13 ILE 13 HD13 ILE 13 -0.298 3.524 2.077 492 H CYS 14 H CYS 14 2.766 5.909 6.467 493 HA CYS 14 HA CYS 14 1.392 7.032 8.737 494 HB2 CYS 14 HB2 CYS 14 3.291 6.146 10.054 495 HB3 CYS 14 HB3 CYS 14 2.408 4.918 9.182 496 H ASP 15 H ASP 15 3.061 8.186 6.272 497 HA ASP 15 HA ASP 15 4.166 10.099 5.796 498 HB2 ASP 15 HB2 ASP 15 2.815 10.917 8.348 499 HB3 ASP 15 HB3 ASP 15 3.662 12.023 7.285 500 H GLN 16 H GLN 16 5.632 8.149 7.219 501 HA GLN 16 HA GLN 16 7.509 9.753 8.776 502 HB2 GLN 16 HB2 GLN 16 6.997 6.785 8.796 503 HB3 GLN 16 HB3 GLN 16 8.191 7.610 9.782 504 HG2 GLN 16 HG2 GLN 16 5.236 7.977 9.897 505 HG3 GLN 16 HG3 GLN 16 6.210 7.076 11.036 506 HE21 GLN 16 HE21 GLN 16 4.454 9.306 11.482 507 HE22 GLN 16 HE22 GLN 16 5.420 10.533 12.214 508 H GLU 17 H GLU 17 9.656 9.617 8.333 509 HA GLU 17 HA GLU 17 10.469 8.971 5.663 510 HB2 GLU 17 HB2 GLU 17 11.970 9.995 8.070 511 HB3 GLU 17 HB3 GLU 17 12.741 9.673 6.522 512 HG2 GLU 17 HG2 GLU 17 11.365 11.323 5.445 513 HG3 GLU 17 HG3 GLU 17 10.464 11.573 6.933 514 H LYS 18 H LYS 18 10.449 6.897 5.275 515 HA LYS 18 HA LYS 18 11.856 5.098 7.116 516 HB2 LYS 18 HB2 LYS 18 10.007 4.169 5.016 517 HB3 LYS 18 HB3 LYS 18 10.459 3.378 6.490 518 HG2 LYS 18 HG2 LYS 18 8.589 5.685 6.158 519 HG3 LYS 18 HG3 LYS 18 8.219 4.064 6.742 520 HD2 LYS 18 HD2 LYS 18 10.199 5.727 8.187 521 HD3 LYS 18 HD3 LYS 18 8.509 6.043 8.395 522 HE2 LYS 18 HE2 LYS 18 9.255 4.611 10.149 523 HE3 LYS 18 HE3 LYS 18 8.201 3.733 9.070 524 HZ1 LYS 18 HZ1 LYS 18 10.144 2.437 9.737 525 HZ2 LYS 18 HZ2 LYS 18 11.155 3.586 9.023 526 HZ3 LYS 18 HZ3 LYS 18 10.102 2.676 8.067 527 H ASN 19 H ASN 19 13.495 3.833 6.387 528 HA ASN 19 HA ASN 19 14.500 4.628 3.770 529 HB2 ASN 19 HB2 ASN 19 16.656 3.932 4.496 530 HB3 ASN 19 HB3 ASN 19 15.938 4.854 5.804 531 HD21 ASN 19 HD21 ASN 19 15.391 3.858 7.715 532 HD22 ASN 19 HD22 ASN 19 15.921 2.227 8.107 533 H ARG 20 H ARG 20 12.657 2.175 4.966 534 HA ARG 20 HA ARG 20 13.347 0.575 2.623 535 HB2 ARG 20 HB2 ARG 20 14.373 -0.394 4.779 536 HB3 ARG 20 HB3 ARG 20 12.727 -0.825 5.193 537 HG2 ARG 20 HG2 ARG 20 12.526 -2.189 3.244 538 HG3 ARG 20 HG3 ARG 20 14.085 -1.644 2.663 539 HD2 ARG 20 HD2 ARG 20 15.262 -2.771 4.280 540 HD3 ARG 20 HD3 ARG 20 13.833 -2.953 5.274 541 HE ARG 20 HE ARG 20 13.257 -4.333 2.984 542 HH11 ARG 20 HH11 ARG 20 15.761 -4.472 5.418 543 HH12 ARG 20 HH12 ARG 20 16.058 -6.167 5.204 544 HH21 ARG 20 HH21 ARG 20 13.648 -6.572 2.681 545 HH22 ARG 20 HH22 ARG 20 14.862 -7.362 3.638 546 H GLY 21 H GLY 21 11.703 -0.385 1.618 547 HA2 GLY 21 HA2 GLY 21 9.230 -1.165 2.312 548 HA3 GLY 21 HA3 GLY 21 9.032 0.578 2.205 549 H ILE 22 H ILE 22 7.591 0.208 0.259 550 HA ILE 22 HA ILE 22 9.222 -0.525 -2.064 551 HB ILE 22 HB ILE 22 7.487 -1.650 -3.058 552 HG12 ILE 22 HG12 ILE 22 5.642 -0.103 -1.275 553 HG13 ILE 22 HG13 ILE 22 5.912 0.156 -2.959 554 HG21 ILE 22 HG21 ILE 22 7.075 -2.029 -0.096 555 HG22 ILE 22 HG22 ILE 22 8.078 -2.994 -1.183 556 HG23 ILE 22 HG23 ILE 22 6.317 -3.048 -1.321 557 HD11 ILE 22 HD11 ILE 22 3.808 -1.001 -2.520 558 HD12 ILE 22 HD12 ILE 22 4.714 -2.328 -1.795 559 HD13 ILE 22 HD13 ILE 22 4.912 -1.954 -3.509 560 H HIS 23 H HIS 23 7.784 0.237 -4.050 561 HA HIS 23 HA HIS 23 6.791 2.894 -3.821 562 HB2 HIS 23 HB2 HIS 23 8.581 3.924 -5.274 563 HB3 HIS 23 HB3 HIS 23 9.092 3.540 -3.648 564 HD1 HIS 23 HD1 HIS 23 9.769 2.770 -7.213 565 HD2 HIS 23 HD2 HIS 23 10.926 1.453 -3.466 566 HE1 HIS 23 HE1 HIS 23 11.831 1.390 -7.603 567 HE2 HIS 23 HE2 HIS 23 12.407 0.446 -5.340 568 H LEU 24 H LEU 24 5.148 2.828 -5.182 569 HA LEU 24 HA LEU 24 5.143 0.910 -7.331 570 HB2 LEU 24 HB2 LEU 24 3.060 2.746 -6.176 571 HB3 LEU 24 HB3 LEU 24 2.773 1.696 -7.511 572 HG LEU 24 HG LEU 24 3.544 0.770 -4.760 573 HD11 LEU 24 HD11 LEU 24 1.248 -0.082 -4.656 574 HD12 LEU 24 HD12 LEU 24 0.904 0.673 -6.210 575 HD13 LEU 24 HD13 LEU 24 1.289 1.672 -4.811 576 HD21 LEU 24 HD21 LEU 24 2.773 -0.761 -7.238 577 HD22 LEU 24 HD22 LEU 24 2.976 -1.461 -5.633 578 HD23 LEU 24 HD23 LEU 24 4.357 -0.745 -6.463 579 H TYR 25 H TYR 25 4.088 4.260 -7.063 580 HA TYR 25 HA TYR 25 4.815 4.682 -9.842 581 HB2 TYR 25 HB2 TYR 25 3.162 6.343 -7.978 582 HB3 TYR 25 HB3 TYR 25 3.514 6.794 -9.631 583 HD1 TYR 25 HD1 TYR 25 2.859 3.302 -8.762 584 HD2 TYR 25 HD2 TYR 25 1.116 6.906 -10.180 585 HE1 TYR 25 HE1 TYR 25 0.893 2.046 -9.481 586 HE2 TYR 25 HE2 TYR 25 -0.859 5.654 -10.929 587 HH TYR 25 HH TYR 25 -1.517 3.413 -11.517 588 H THR 26 H THR 26 4.691 7.490 -7.950 589 HA THR 26 HA THR 26 7.615 7.520 -7.714 590 HB THR 26 HB THR 26 6.939 9.403 -8.975 591 HG1 THR 26 HG1 THR 26 7.646 9.880 -6.323 592 HG21 THR 26 HG21 THR 26 4.871 10.027 -6.870 593 HG22 THR 26 HG22 THR 26 4.536 9.294 -8.439 594 HG23 THR 26 HG23 THR 26 5.173 10.939 -8.348 595 H LYS 27 H LYS 27 5.103 6.594 -5.961 596 HA LYS 27 HA LYS 27 5.640 8.127 -3.544 597 HB2 LYS 27 HB2 LYS 27 3.737 6.018 -3.162 598 HB3 LYS 27 HB3 LYS 27 3.512 7.752 -3.033 599 HG2 LYS 27 HG2 LYS 27 3.401 6.180 -5.576 600 HG3 LYS 27 HG3 LYS 27 2.011 6.694 -4.634 601 HD2 LYS 27 HD2 LYS 27 4.049 8.504 -5.883 602 HD3 LYS 27 HD3 LYS 27 2.443 8.196 -6.512 603 HE2 LYS 27 HE2 LYS 27 2.141 8.926 -3.808 604 HE3 LYS 27 HE3 LYS 27 3.306 10.050 -4.495 605 HZ1 LYS 27 HZ1 LYS 27 1.049 10.882 -4.706 606 HZ2 LYS 27 HZ2 LYS 27 0.597 9.522 -5.600 607 HZ3 LYS 27 HZ3 LYS 27 1.725 10.608 -6.227 608 H PHE 28 H PHE 28 5.139 6.653 -1.563 609 HA PHE 28 HA PHE 28 6.718 4.227 -1.616 610 HB2 PHE 28 HB2 PHE 28 8.415 5.871 -1.236 611 HB3 PHE 28 HB3 PHE 28 7.443 6.682 -0.018 612 HD1 PHE 28 HD1 PHE 28 7.470 6.024 2.216 613 HD2 PHE 28 HD2 PHE 28 9.358 3.586 -0.709 614 HE1 PHE 28 HE1 PHE 28 8.476 4.686 3.998 615 HE2 PHE 28 HE2 PHE 28 10.380 2.230 1.083 616 HZ PHE 28 HZ PHE 28 9.926 2.773 3.455 617 H ILE 29 H ILE 29 5.208 2.883 -0.774 618 HA ILE 29 HA ILE 29 4.062 3.572 1.832 619 HB ILE 29 HB ILE 29 3.899 0.921 0.369 620 HG12 ILE 29 HG12 ILE 29 1.357 1.724 0.352 621 HG13 ILE 29 HG13 ILE 29 2.112 3.311 0.338 622 HG21 ILE 29 HG21 ILE 29 3.754 0.734 2.798 623 HG22 ILE 29 HG22 ILE 29 2.207 0.348 2.027 624 HG23 ILE 29 HG23 ILE 29 2.436 1.911 2.807 625 HD11 ILE 29 HD11 ILE 29 1.532 2.346 -1.901 626 HD12 ILE 29 HD12 ILE 29 2.804 1.157 -1.631 627 HD13 ILE 29 HD13 ILE 29 3.203 2.873 -1.709 628 H CYS 30 H CYS 30 5.218 3.152 3.645 629 HA CYS 30 HA CYS 30 7.770 1.929 3.388 630 HB2 CYS 30 HB2 CYS 30 8.154 2.433 5.606 631 HB3 CYS 30 HB3 CYS 30 6.978 3.659 5.163 632 H LEU 31 H LEU 31 8.481 0.133 4.464 633 HA LEU 31 HA LEU 31 7.326 -2.130 3.532 634 HB2 LEU 31 HB2 LEU 31 9.115 -3.205 4.468 635 HB3 LEU 31 HB3 LEU 31 9.705 -1.587 4.305 636 HG LEU 31 HG LEU 31 8.805 -1.462 6.830 637 HD11 LEU 31 HD11 LEU 31 9.387 -3.503 8.022 638 HD12 LEU 31 HD12 LEU 31 9.716 -4.317 6.492 639 HD13 LEU 31 HD13 LEU 31 8.076 -3.793 6.878 640 HD21 LEU 31 HD21 LEU 31 11.127 -1.871 7.534 641 HD22 LEU 31 HD22 LEU 31 11.010 -0.819 6.125 642 HD23 LEU 31 HD23 LEU 31 11.476 -2.509 5.927 643 H ASP 32 H ASP 32 6.567 -0.502 6.407 644 HA ASP 32 HA ASP 32 5.632 -2.827 7.855 645 HB2 ASP 32 HB2 ASP 32 6.701 -0.682 8.847 646 HB3 ASP 32 HB3 ASP 32 5.097 -0.008 8.626 647 H CYS 33 H CYS 33 4.390 0.011 6.319 648 HA CYS 33 HA CYS 33 1.652 -0.589 6.680 649 HB2 CYS 33 HB2 CYS 33 2.971 1.436 4.892 650 HB3 CYS 33 HB3 CYS 33 1.260 1.290 5.178 651 H GLU 34 H GLU 34 4.055 -1.021 4.278 652 HA GLU 34 HA GLU 34 2.526 -1.761 2.098 653 HB2 GLU 34 HB2 GLU 34 4.855 -1.309 1.863 654 HB3 GLU 34 HB3 GLU 34 5.281 -2.542 3.003 655 HG2 GLU 34 HG2 GLU 34 3.863 -3.608 0.732 656 HG3 GLU 34 HG3 GLU 34 5.336 -2.780 0.291 657 H ARG 35 H ARG 35 3.767 -3.681 4.755 658 HA ARG 35 HA ARG 35 2.375 -6.006 3.832 659 HB2 ARG 35 HB2 ARG 35 2.900 -7.037 6.029 660 HB3 ARG 35 HB3 ARG 35 4.312 -6.439 5.174 661 HG2 ARG 35 HG2 ARG 35 4.391 -4.495 6.605 662 HG3 ARG 35 HG3 ARG 35 2.925 -5.015 7.416 663 HD2 ARG 35 HD2 ARG 35 5.435 -6.606 7.340 664 HD3 ARG 35 HD3 ARG 35 5.009 -5.526 8.654 665 HE ARG 35 HE ARG 35 2.877 -7.267 8.291 666 HH11 ARG 35 HH11 ARG 35 6.244 -7.445 9.208 667 HH12 ARG 35 HH12 ARG 35 6.029 -8.827 10.234 668 HH21 ARG 35 HH21 ARG 35 2.575 -9.095 9.638 669 HH22 ARG 35 HH22 ARG 35 3.936 -9.768 10.476 670 H LYS 36 H LYS 36 1.461 -3.291 5.664 671 HA LYS 36 HA LYS 36 -0.520 -4.417 7.312 672 HB2 LYS 36 HB2 LYS 36 -0.093 -1.641 6.243 673 HB3 LYS 36 HB3 LYS 36 -1.364 -2.055 7.352 674 HG2 LYS 36 HG2 LYS 36 0.530 -2.857 8.867 675 HG3 LYS 36 HG3 LYS 36 1.573 -2.007 7.809 676 HD2 LYS 36 HD2 LYS 36 0.557 -0.022 8.332 677 HD3 LYS 36 HD3 LYS 36 -0.797 -0.765 9.136 678 HE2 LYS 36 HE2 LYS 36 0.763 -1.604 10.853 679 HE3 LYS 36 HE3 LYS 36 2.079 -0.749 10.055 680 HZ1 LYS 36 HZ1 LYS 36 -0.339 0.512 11.228 681 HZ2 LYS 36 HZ2 LYS 36 0.945 1.333 10.490 682 HZ3 LYS 36 HZ3 LYS 36 1.197 0.487 11.933 683 H VAL 37 H VAL 37 -0.399 -2.932 4.197 684 HA VAL 37 HA VAL 37 -3.067 -2.787 3.572 685 HB VAL 37 HB VAL 37 -2.429 -2.856 1.229 686 HG11 VAL 37 HG11 VAL 37 -1.148 -0.874 1.148 687 HG12 VAL 37 HG12 VAL 37 -0.338 -1.257 2.670 688 HG13 VAL 37 HG13 VAL 37 -2.045 -0.793 2.665 689 HG21 VAL 37 HG21 VAL 37 0.124 -3.892 2.310 690 HG22 VAL 37 HG22 VAL 37 0.110 -2.951 0.816 691 HG23 VAL 37 HG23 VAL 37 -0.840 -4.433 0.927 692 H ILE 38 H ILE 38 -0.831 -5.392 3.063 693 HA ILE 38 HA ILE 38 -2.462 -7.134 1.593 694 HB ILE 38 HB ILE 38 -0.286 -8.075 3.433 695 HG12 ILE 38 HG12 ILE 38 -0.028 -6.464 0.935 696 HG13 ILE 38 HG13 ILE 38 0.794 -6.249 2.461 697 HG21 ILE 38 HG21 ILE 38 -1.471 -9.804 2.280 698 HG22 ILE 38 HG22 ILE 38 0.142 -9.660 1.584 699 HG23 ILE 38 HG23 ILE 38 -1.247 -8.983 0.739 700 HD11 ILE 38 HD11 ILE 38 2.125 -7.150 0.466 701 HD12 ILE 38 HD12 ILE 38 1.306 -8.676 0.803 702 HD13 ILE 38 HD13 ILE 38 2.316 -7.929 2.035 703 H SER 39 H SER 39 -2.012 -6.425 4.892 704 HA SER 39 HA SER 39 -3.420 -8.687 5.849 705 HB2 SER 39 HB2 SER 39 -1.716 -7.505 7.213 706 HB3 SER 39 HB3 SER 39 -2.796 -6.116 7.307 707 HG SER 39 HG SER 39 -3.777 -8.618 8.096 708 H THR 40 H THR 40 -4.200 -5.462 4.905 709 HA THR 40 HA THR 40 -6.898 -5.495 5.932 710 HB THR 40 HB THR 40 -5.606 -3.563 4.005 711 HG1 THR 40 HG1 THR 40 -4.526 -3.824 6.105 712 HG21 THR 40 HG21 THR 40 -7.982 -3.260 5.841 713 HG22 THR 40 HG22 THR 40 -8.044 -3.398 4.083 714 HG23 THR 40 HG23 THR 40 -7.289 -1.990 4.833 715 H SER 41 H SER 41 -5.262 -6.136 2.931 716 HA SER 41 HA SER 41 -7.458 -5.894 1.172 717 HB2 SER 41 HB2 SER 41 -5.964 -7.058 -0.448 718 HB3 SER 41 HB3 SER 41 -5.227 -5.656 0.324 719 HG SER 41 HG SER 41 -3.759 -7.307 0.372 720 H THR 42 H THR 42 -7.017 -8.123 3.507 721 HA THR 42 HA THR 42 -7.389 -10.599 2.199 722 HB THR 42 HB THR 42 -7.766 -11.490 4.459 723 HG1 THR 42 HG1 THR 42 -8.958 -9.699 5.304 724 HG21 THR 42 HG21 THR 42 -5.552 -9.436 4.311 725 HG22 THR 42 HG22 THR 42 -5.477 -11.087 3.690 726 HG23 THR 42 HG23 THR 42 -5.614 -10.804 5.424 727 H SER 43 H SER 43 -9.317 -9.061 1.112 728 HA SER 43 HA SER 43 -11.412 -9.392 0.323 729 HB2 SER 43 HB2 SER 43 -11.852 -11.193 2.712 730 HB3 SER 43 HB3 SER 43 -12.991 -10.959 1.389 731 HG SER 43 HG SER 43 -10.451 -12.200 1.354 732 H ASP 44 H ASP 44 -11.914 -7.316 0.499 733 HA ASP 44 HA ASP 44 -13.680 -6.610 2.732 734 HB2 ASP 44 HB2 ASP 44 -11.502 -5.540 3.187 735 HB3 ASP 44 HB3 ASP 44 -11.539 -4.793 1.594 736 HA PRO 45 HA PRO 45 -15.720 -5.733 -1.261 737 HB2 PRO 45 HB2 PRO 45 -18.147 -6.622 -0.033 738 HB3 PRO 45 HB3 PRO 45 -17.249 -7.397 -1.304 739 HG2 PRO 45 HG2 PRO 45 -17.589 -8.325 1.244 740 HG3 PRO 45 HG3 PRO 45 -16.332 -8.777 0.132 741 HD2 PRO 45 HD2 PRO 45 -16.202 -6.950 2.426 742 HD3 PRO 45 HD3 PRO 45 -14.955 -8.043 1.810 743 H ASP 46 H ASP 46 -17.428 -4.270 -1.783 744 HA ASP 46 HA ASP 46 -17.706 -2.160 0.221 745 HB2 ASP 46 HB2 ASP 46 -16.883 -1.576 -2.052 746 HB3 ASP 46 HB3 ASP 46 -18.415 -2.126 -2.723 747 H TYR 47 H TYR 47 -19.450 -4.655 -1.309 748 HA TYR 47 HA TYR 47 -21.922 -3.732 -0.027 749 HB2 TYR 47 HB2 TYR 47 -21.622 -5.347 -2.543 750 HB3 TYR 47 HB3 TYR 47 -23.148 -4.992 -1.760 751 HD1 TYR 47 HD1 TYR 47 -24.010 -2.668 -1.733 752 HD2 TYR 47 HD2 TYR 47 -20.522 -3.735 -3.918 753 HE1 TYR 47 HE1 TYR 47 -24.183 -0.580 -3.020 754 HE2 TYR 47 HE2 TYR 47 -20.683 -1.652 -5.210 755 HH TYR 47 HH TYR 47 -22.317 0.006 -5.840 756 H ALA 48 H ALA 48 -22.299 -4.915 1.708 757 HA ALA 48 HA ALA 48 -22.540 -6.642 3.144 758 HB1 ALA 48 HB1 ALA 48 -23.163 -8.810 2.256 759 HB2 ALA 48 HB2 ALA 48 -22.584 -8.343 0.657 760 HB3 ALA 48 HB3 ALA 48 -23.975 -7.523 1.364 Start of MODEL 17 1 H1 SER 0 H1 SER 0 -5.591 14.327 -9.831 2 H2 SER 0 H2 SER 0 -5.492 13.240 -8.543 3 H3 SER 0 H3 SER 0 -4.316 13.213 -9.755 4 HA SER 0 HA SER 0 -3.423 14.257 -7.823 5 HB2 SER 0 HB2 SER 0 -2.826 15.123 -10.104 6 HB3 SER 0 HB3 SER 0 -4.078 16.349 -9.917 7 HG SER 0 HG SER 0 -1.604 16.096 -8.624 8 H MET 1 H MET 1 -3.622 15.636 -6.100 9 HA MET 1 HA MET 1 -4.604 16.887 -4.494 10 HB2 MET 1 HB2 MET 1 -6.299 17.892 -6.782 11 HB3 MET 1 HB3 MET 1 -6.365 18.544 -5.151 12 HG2 MET 1 HG2 MET 1 -4.032 19.211 -5.305 13 HG3 MET 1 HG3 MET 1 -3.935 18.523 -6.926 14 HE1 MET 1 HE1 MET 1 -3.095 21.509 -6.175 15 HE2 MET 1 HE2 MET 1 -3.774 22.403 -7.535 16 HE3 MET 1 HE3 MET 1 -2.970 20.859 -7.810 17 H ASP 2 H ASP 2 -5.445 15.419 -3.165 18 HA ASP 2 HA ASP 2 -7.769 13.891 -3.635 19 HB2 ASP 2 HB2 ASP 2 -7.705 13.458 -1.179 20 HB3 ASP 2 HB3 ASP 2 -6.162 13.177 -1.973 21 H GLU 3 H GLU 3 -9.768 14.622 -3.841 22 HA GLU 3 HA GLU 3 -10.573 16.965 -2.257 23 HB2 GLU 3 HB2 GLU 3 -10.003 17.540 -4.637 24 HB3 GLU 3 HB3 GLU 3 -11.374 16.548 -5.122 25 HG2 GLU 3 HG2 GLU 3 -12.001 18.864 -5.048 26 HG3 GLU 3 HG3 GLU 3 -12.862 17.971 -3.803 27 H THR 4 H THR 4 -12.008 14.630 -4.553 28 HA THR 4 HA THR 4 -14.524 14.779 -3.162 29 HB THR 4 HB THR 4 -13.888 12.830 -5.363 30 HG1 THR 4 HG1 THR 4 -13.148 14.695 -6.249 31 HG21 THR 4 HG21 THR 4 -16.113 12.732 -4.308 32 HG22 THR 4 HG22 THR 4 -16.207 13.237 -5.995 33 HG23 THR 4 HG23 THR 4 -16.365 14.431 -4.707 34 H VAL 5 H VAL 5 -12.642 13.824 -1.413 35 HA VAL 5 HA VAL 5 -12.402 10.982 -1.413 36 HB VAL 5 HB VAL 5 -11.382 11.245 0.798 37 HG11 VAL 5 HG11 VAL 5 -9.480 12.618 0.124 38 HG12 VAL 5 HG12 VAL 5 -10.429 13.294 -1.198 39 HG13 VAL 5 HG13 VAL 5 -10.014 11.581 -1.198 40 HG21 VAL 5 HG21 VAL 5 -12.104 14.152 0.487 41 HG22 VAL 5 HG22 VAL 5 -11.132 13.458 1.786 42 HG23 VAL 5 HG23 VAL 5 -12.833 13.023 1.626 43 H LYS 6 H LYS 6 -14.916 13.022 -0.517 44 HA LYS 6 HA LYS 6 -15.815 11.691 1.824 45 HB2 LYS 6 HB2 LYS 6 -17.329 13.467 -0.052 46 HB3 LYS 6 HB3 LYS 6 -17.850 13.014 1.555 47 HG2 LYS 6 HG2 LYS 6 -15.931 14.148 2.494 48 HG3 LYS 6 HG3 LYS 6 -15.376 14.587 0.886 49 HD2 LYS 6 HD2 LYS 6 -17.433 15.885 0.558 50 HD3 LYS 6 HD3 LYS 6 -17.953 15.464 2.188 51 HE2 LYS 6 HE2 LYS 6 -15.964 16.572 3.080 52 HE3 LYS 6 HE3 LYS 6 -15.477 17.018 1.449 53 HZ1 LYS 6 HZ1 LYS 6 -17.986 17.879 2.781 54 HZ2 LYS 6 HZ2 LYS 6 -17.464 18.350 1.244 55 HZ3 LYS 6 HZ3 LYS 6 -16.598 18.828 2.615 56 H LEU 7 H LEU 7 -16.202 11.125 -1.553 57 HA LEU 7 HA LEU 7 -17.871 8.808 -0.874 58 HB2 LEU 7 HB2 LEU 7 -18.671 8.930 -3.300 59 HB3 LEU 7 HB3 LEU 7 -19.339 10.074 -2.162 60 HG LEU 7 HG LEU 7 -17.004 10.917 -3.818 61 HD11 LEU 7 HD11 LEU 7 -18.504 11.599 -5.618 62 HD12 LEU 7 HD12 LEU 7 -19.858 10.820 -4.799 63 HD13 LEU 7 HD13 LEU 7 -18.520 9.849 -5.417 64 HD21 LEU 7 HD21 LEU 7 -18.164 13.071 -3.675 65 HD22 LEU 7 HD22 LEU 7 -17.868 12.385 -2.077 66 HD23 LEU 7 HD23 LEU 7 -19.478 12.298 -2.789 67 H ASN 8 H ASN 8 -15.578 10.031 -3.321 68 HA ASN 8 HA ASN 8 -14.559 7.275 -3.595 69 HB2 ASN 8 HB2 ASN 8 -14.100 9.683 -5.382 70 HB3 ASN 8 HB3 ASN 8 -13.412 8.094 -5.624 71 HD21 ASN 8 HD21 ASN 8 -14.314 7.901 -7.612 72 HD22 ASN 8 HD22 ASN 8 -15.998 7.606 -7.843 73 H HIS 9 H HIS 9 -13.152 7.130 -1.893 74 HA HIS 9 HA HIS 9 -11.453 9.130 -0.940 75 HB2 HIS 9 HB2 HIS 9 -11.126 6.122 -0.868 76 HB3 HIS 9 HB3 HIS 9 -10.155 7.254 0.068 77 HD1 HIS 9 HD1 HIS 9 -13.369 5.458 0.085 78 HD2 HIS 9 HD2 HIS 9 -11.644 8.664 2.095 79 HE1 HIS 9 HE1 HIS 9 -14.832 5.871 2.082 80 HE2 HIS 9 HE2 HIS 9 -13.676 7.700 3.369 81 H THR 10 H THR 10 -9.669 10.026 -1.762 82 HA THR 10 HA THR 10 -8.786 9.257 -4.365 83 HB THR 10 HB THR 10 -7.515 11.252 -2.470 84 HG1 THR 10 HG1 THR 10 -9.885 11.299 -3.846 85 HG21 THR 10 HG21 THR 10 -6.685 12.310 -4.524 86 HG22 THR 10 HG22 THR 10 -7.429 11.034 -5.486 87 HG23 THR 10 HG23 THR 10 -6.103 10.651 -4.389 88 H CYS 11 H CYS 11 -7.087 8.082 -4.987 89 HA CYS 11 HA CYS 11 -5.807 6.442 -3.051 90 HB2 CYS 11 HB2 CYS 11 -6.255 5.618 -5.281 91 HB3 CYS 11 HB3 CYS 11 -5.285 6.906 -5.988 92 H VAL 12 H VAL 12 -3.985 6.727 -1.973 93 HA VAL 12 HA VAL 12 -2.407 9.072 -2.107 94 HB VAL 12 HB VAL 12 -0.790 7.850 -0.678 95 HG11 VAL 12 HG11 VAL 12 -2.294 7.394 1.225 96 HG12 VAL 12 HG12 VAL 12 -3.672 7.556 0.133 97 HG13 VAL 12 HG13 VAL 12 -2.617 8.938 0.433 98 HG21 VAL 12 HG21 VAL 12 -2.625 5.501 -1.118 99 HG22 VAL 12 HG22 VAL 12 -1.333 5.567 0.082 100 HG23 VAL 12 HG23 VAL 12 -0.946 5.642 -1.638 101 H ILE 13 H ILE 13 -2.403 6.163 -3.920 102 HA ILE 13 HA ILE 13 0.377 6.392 -4.702 103 HB ILE 13 HB ILE 13 -1.613 4.393 -5.701 104 HG12 ILE 13 HG12 ILE 13 -1.482 4.408 -3.220 105 HG13 ILE 13 HG13 ILE 13 -0.951 2.912 -3.966 106 HG21 ILE 13 HG21 ILE 13 1.388 4.351 -5.551 107 HG22 ILE 13 HG22 ILE 13 0.419 4.547 -7.011 108 HG23 ILE 13 HG23 ILE 13 0.375 3.025 -6.121 109 HD11 ILE 13 HD11 ILE 13 0.847 5.086 -2.994 110 HD12 ILE 13 HD12 ILE 13 1.342 3.536 -3.677 111 HD13 ILE 13 HD13 ILE 13 0.481 3.591 -2.134 112 H CYS 14 H CYS 14 -2.733 6.067 -6.312 113 HA CYS 14 HA CYS 14 -1.522 6.964 -8.803 114 HB2 CYS 14 HB2 CYS 14 -4.263 5.847 -8.606 115 HB3 CYS 14 HB3 CYS 14 -3.138 5.731 -9.928 116 H ASP 15 H ASP 15 -2.914 8.392 -6.318 117 HA ASP 15 HA ASP 15 -3.989 10.323 -5.883 118 HB2 ASP 15 HB2 ASP 15 -3.236 12.227 -7.132 119 HB3 ASP 15 HB3 ASP 15 -1.952 11.083 -6.833 120 H GLN 16 H GLN 16 -5.581 8.535 -7.304 121 HA GLN 16 HA GLN 16 -7.477 10.369 -8.571 122 HB2 GLN 16 HB2 GLN 16 -6.688 7.641 -9.236 123 HB3 GLN 16 HB3 GLN 16 -8.416 7.917 -9.221 124 HG2 GLN 16 HG2 GLN 16 -7.674 8.240 -11.368 125 HG3 GLN 16 HG3 GLN 16 -8.049 9.812 -10.744 126 HE21 GLN 16 HE21 GLN 16 -6.413 11.256 -10.479 127 HE22 GLN 16 HE22 GLN 16 -4.863 10.986 -11.155 128 H GLU 17 H GLU 17 -9.647 10.056 -8.159 129 HA GLU 17 HA GLU 17 -10.222 9.439 -5.397 130 HB2 GLU 17 HB2 GLU 17 -11.920 10.717 -7.534 131 HB3 GLU 17 HB3 GLU 17 -12.309 10.630 -5.822 132 HG2 GLU 17 HG2 GLU 17 -10.669 12.127 -5.232 133 HG3 GLU 17 HG3 GLU 17 -9.744 11.868 -6.705 134 H LYS 18 H LYS 18 -10.428 7.369 -5.087 135 HA LYS 18 HA LYS 18 -12.207 5.795 -6.837 136 HB2 LYS 18 HB2 LYS 18 -10.316 4.359 -5.150 137 HB3 LYS 18 HB3 LYS 18 -10.806 4.031 -6.779 138 HG2 LYS 18 HG2 LYS 18 -8.815 6.105 -5.951 139 HG3 LYS 18 HG3 LYS 18 -8.445 4.520 -6.619 140 HD2 LYS 18 HD2 LYS 18 -10.190 6.366 -8.147 141 HD3 LYS 18 HD3 LYS 18 -8.461 6.610 -8.112 142 HE2 LYS 18 HE2 LYS 18 -9.070 5.350 -10.055 143 HE3 LYS 18 HE3 LYS 18 -8.149 4.370 -8.941 144 HZ1 LYS 18 HZ1 LYS 18 -10.154 3.276 -8.234 145 HZ2 LYS 18 HZ2 LYS 18 -10.038 3.183 -9.915 146 HZ3 LYS 18 HZ3 LYS 18 -11.094 4.292 -9.203 147 H ASN 19 H ASN 19 -13.857 4.718 -5.904 148 HA ASN 19 HA ASN 19 -14.098 4.956 -3.013 149 HB2 ASN 19 HB2 ASN 19 -16.020 5.756 -4.059 150 HB3 ASN 19 HB3 ASN 19 -16.046 4.445 -5.206 151 HD21 ASN 19 HD21 ASN 19 -16.745 5.436 -1.959 152 HD22 ASN 19 HD22 ASN 19 -17.810 4.094 -1.563 153 H ARG 20 H ARG 20 -12.851 2.802 -5.152 154 HA ARG 20 HA ARG 20 -13.396 0.556 -3.335 155 HB2 ARG 20 HB2 ARG 20 -13.148 0.515 -6.329 156 HB3 ARG 20 HB3 ARG 20 -13.061 -0.931 -5.365 157 HG2 ARG 20 HG2 ARG 20 -15.282 -0.545 -4.530 158 HG3 ARG 20 HG3 ARG 20 -15.389 0.930 -5.482 159 HD2 ARG 20 HD2 ARG 20 -14.923 -0.416 -7.437 160 HD3 ARG 20 HD3 ARG 20 -14.976 -1.861 -6.478 161 HE ARG 20 HE ARG 20 -17.364 -0.476 -6.078 162 HH11 ARG 20 HH11 ARG 20 -15.724 -2.236 -8.619 163 HH12 ARG 20 HH12 ARG 20 -17.193 -2.707 -9.414 164 HH21 ARG 20 HH21 ARG 20 -19.295 -1.096 -7.109 165 HH22 ARG 20 HH22 ARG 20 -19.229 -2.063 -8.546 166 H GLY 21 H GLY 21 -11.725 -0.254 -2.376 167 HA2 GLY 21 HA2 GLY 21 -9.306 -1.094 -3.227 168 HA3 GLY 21 HA3 GLY 21 -9.010 0.616 -2.923 169 H ILE 22 H ILE 22 -7.683 0.266 -0.957 170 HA ILE 22 HA ILE 22 -9.397 -0.565 1.270 171 HB ILE 22 HB ILE 22 -7.751 -1.793 2.309 172 HG12 ILE 22 HG12 ILE 22 -5.783 -0.334 0.585 173 HG13 ILE 22 HG13 ILE 22 -6.081 -0.075 2.267 174 HG21 ILE 22 HG21 ILE 22 -7.309 -2.178 -0.644 175 HG22 ILE 22 HG22 ILE 22 -8.358 -3.107 0.431 176 HG23 ILE 22 HG23 ILE 22 -6.602 -3.229 0.584 177 HD11 ILE 22 HD11 ILE 22 -4.043 -1.319 1.929 178 HD12 ILE 22 HD12 ILE 22 -4.942 -2.568 1.068 179 HD13 ILE 22 HD13 ILE 22 -5.243 -2.287 2.784 180 H HIS 23 H HIS 23 -7.929 0.129 3.328 181 HA HIS 23 HA HIS 23 -6.916 2.786 3.025 182 HB2 HIS 23 HB2 HIS 23 -8.677 3.898 4.384 183 HB3 HIS 23 HB3 HIS 23 -9.257 3.346 2.830 184 HD1 HIS 23 HD1 HIS 23 -9.793 2.988 6.472 185 HD2 HIS 23 HD2 HIS 23 -11.016 1.185 2.955 186 HE1 HIS 23 HE1 HIS 23 -11.815 1.622 7.090 187 HE2 HIS 23 HE2 HIS 23 -12.634 0.661 4.906 188 H LEU 24 H LEU 24 -5.285 2.799 4.327 189 HA LEU 24 HA LEU 24 -5.489 1.575 6.952 190 HB2 LEU 24 HB2 LEU 24 -3.102 2.596 5.413 191 HB3 LEU 24 HB3 LEU 24 -3.069 1.799 6.936 192 HG LEU 24 HG LEU 24 -3.993 0.498 4.399 193 HD11 LEU 24 HD11 LEU 24 -1.363 0.392 5.855 194 HD12 LEU 24 HD12 LEU 24 -1.663 0.981 4.219 195 HD13 LEU 24 HD13 LEU 24 -1.843 -0.734 4.586 196 HD21 LEU 24 HD21 LEU 24 -3.809 -1.575 5.686 197 HD22 LEU 24 HD22 LEU 24 -4.987 -0.477 6.405 198 HD23 LEU 24 HD23 LEU 24 -3.385 -0.646 7.123 199 H TYR 25 H TYR 25 -5.313 2.894 8.747 200 HA TYR 25 HA TYR 25 -5.193 4.803 9.991 201 HB2 TYR 25 HB2 TYR 25 -3.611 6.007 7.752 202 HB3 TYR 25 HB3 TYR 25 -3.586 6.493 9.428 203 HD1 TYR 25 HD1 TYR 25 -3.490 2.929 8.713 204 HD2 TYR 25 HD2 TYR 25 -1.081 6.378 9.310 205 HE1 TYR 25 HE1 TYR 25 -1.544 1.495 8.996 206 HE2 TYR 25 HE2 TYR 25 0.888 4.934 9.626 207 HH TYR 25 HH TYR 25 1.658 2.847 9.711 208 H THR 26 H THR 26 -4.862 7.247 7.825 209 HA THR 26 HA THR 26 -7.766 7.500 7.478 210 HB THR 26 HB THR 26 -7.120 9.323 8.762 211 HG1 THR 26 HG1 THR 26 -7.505 9.869 6.098 212 HG21 THR 26 HG21 THR 26 -4.701 8.898 8.560 213 HG22 THR 26 HG22 THR 26 -5.111 10.615 8.486 214 HG23 THR 26 HG23 THR 26 -4.708 9.740 7.009 215 H LYS 27 H LYS 27 -5.296 6.349 5.763 216 HA LYS 27 HA LYS 27 -5.672 7.989 3.366 217 HB2 LYS 27 HB2 LYS 27 -3.788 5.860 3.002 218 HB3 LYS 27 HB3 LYS 27 -3.528 7.595 2.941 219 HG2 LYS 27 HG2 LYS 27 -3.589 5.968 5.447 220 HG3 LYS 27 HG3 LYS 27 -2.131 6.426 4.588 221 HD2 LYS 27 HD2 LYS 27 -4.163 8.311 5.735 222 HD3 LYS 27 HD3 LYS 27 -2.608 7.928 6.453 223 HE2 LYS 27 HE2 LYS 27 -2.058 8.665 3.807 224 HE3 LYS 27 HE3 LYS 27 -3.277 9.803 4.351 225 HZ1 LYS 27 HZ1 LYS 27 -0.995 10.570 4.768 226 HZ2 LYS 27 HZ2 LYS 27 -0.756 9.263 5.815 227 HZ3 LYS 27 HZ3 LYS 27 -1.909 10.441 6.182 228 H PHE 28 H PHE 28 -5.119 6.537 1.376 229 HA PHE 28 HA PHE 28 -6.781 4.157 1.278 230 HB2 PHE 28 HB2 PHE 28 -8.368 5.965 0.966 231 HB3 PHE 28 HB3 PHE 28 -7.365 6.670 -0.295 232 HD1 PHE 28 HD1 PHE 28 -7.511 5.976 -2.488 233 HD2 PHE 28 HD2 PHE 28 -9.449 3.699 0.524 234 HE1 PHE 28 HE1 PHE 28 -8.647 4.675 -4.214 235 HE2 PHE 28 HE2 PHE 28 -10.581 2.366 -1.215 236 HZ PHE 28 HZ PHE 28 -10.157 2.841 -3.611 237 H ILE 29 H ILE 29 -5.321 2.813 0.413 238 HA ILE 29 HA ILE 29 -3.956 3.568 -2.071 239 HB ILE 29 HB ILE 29 -4.055 0.858 -0.701 240 HG12 ILE 29 HG12 ILE 29 -1.529 1.492 -0.305 241 HG13 ILE 29 HG13 ILE 29 -2.148 3.138 -0.401 242 HG21 ILE 29 HG21 ILE 29 -2.224 0.230 -2.181 243 HG22 ILE 29 HG22 ILE 29 -2.260 1.822 -2.940 244 HG23 ILE 29 HG23 ILE 29 -3.645 0.730 -3.114 245 HD11 ILE 29 HD11 ILE 29 -2.029 2.328 1.901 246 HD12 ILE 29 HD12 ILE 29 -3.132 1.016 1.490 247 HD13 ILE 29 HD13 ILE 29 -3.685 2.688 1.419 248 H CYS 30 H CYS 30 -5.072 3.262 -4.014 249 HA CYS 30 HA CYS 30 -7.634 2.016 -3.706 250 HB2 CYS 30 HB2 CYS 30 -8.209 2.656 -5.869 251 HB3 CYS 30 HB3 CYS 30 -7.284 3.954 -5.194 252 H LEU 31 H LEU 31 -8.323 0.452 -5.344 253 HA LEU 31 HA LEU 31 -7.310 -1.863 -4.328 254 HB2 LEU 31 HB2 LEU 31 -9.026 -2.901 -5.460 255 HB3 LEU 31 HB3 LEU 31 -9.614 -1.295 -5.220 256 HG LEU 31 HG LEU 31 -8.680 -0.915 -7.649 257 HD11 LEU 31 HD11 LEU 31 -9.281 -3.869 -7.671 258 HD12 LEU 31 HD12 LEU 31 -7.691 -3.140 -7.890 259 HD13 LEU 31 HD13 LEU 31 -8.960 -2.859 -9.081 260 HD21 LEU 31 HD21 LEU 31 -10.997 -0.641 -6.939 261 HD22 LEU 31 HD22 LEU 31 -11.248 -2.382 -7.076 262 HD23 LEU 31 HD23 LEU 31 -10.898 -1.424 -8.516 263 H ASP 32 H ASP 32 -6.106 -0.114 -6.974 264 HA ASP 32 HA ASP 32 -5.296 -2.403 -8.489 265 HB2 ASP 32 HB2 ASP 32 -4.666 -0.850 -10.050 266 HB3 ASP 32 HB3 ASP 32 -6.068 -0.135 -9.369 267 H CYS 33 H CYS 33 -3.784 0.185 -6.816 268 HA CYS 33 HA CYS 33 -1.144 -0.661 -6.912 269 HB2 CYS 33 HB2 CYS 33 -0.972 1.157 -5.087 270 HB3 CYS 33 HB3 CYS 33 -1.481 1.621 -6.681 271 H GLU 34 H GLU 34 -3.727 -0.887 -4.742 272 HA GLU 34 HA GLU 34 -2.473 -1.815 -2.467 273 HB2 GLU 34 HB2 GLU 34 -4.841 -1.243 -2.497 274 HB3 GLU 34 HB3 GLU 34 -5.173 -2.574 -3.566 275 HG2 GLU 34 HG2 GLU 34 -3.887 -3.386 -1.107 276 HG3 GLU 34 HG3 GLU 34 -5.449 -2.645 -0.876 277 H ARG 35 H ARG 35 -3.707 -3.739 -5.178 278 HA ARG 35 HA ARG 35 -2.451 -6.083 -4.143 279 HB2 ARG 35 HB2 ARG 35 -3.129 -7.232 -6.122 280 HB3 ARG 35 HB3 ARG 35 -4.441 -6.152 -5.681 281 HG2 ARG 35 HG2 ARG 35 -3.575 -4.542 -7.384 282 HG3 ARG 35 HG3 ARG 35 -2.453 -5.791 -7.894 283 HD2 ARG 35 HD2 ARG 35 -5.424 -5.882 -7.974 284 HD3 ARG 35 HD3 ARG 35 -4.325 -5.883 -9.342 285 HE ARG 35 HE ARG 35 -3.700 -8.104 -7.807 286 HH11 ARG 35 HH11 ARG 35 -6.406 -6.931 -9.683 287 HH12 ARG 35 HH12 ARG 35 -7.043 -8.514 -9.997 288 HH21 ARG 35 HH21 ARG 35 -4.527 -10.197 -8.230 289 HH22 ARG 35 HH22 ARG 35 -5.967 -10.370 -9.181 290 H LYS 36 H LYS 36 -1.327 -3.456 -5.987 291 HA LYS 36 HA LYS 36 0.644 -4.706 -7.548 292 HB2 LYS 36 HB2 LYS 36 0.368 -1.899 -6.510 293 HB3 LYS 36 HB3 LYS 36 1.605 -2.404 -7.620 294 HG2 LYS 36 HG2 LYS 36 -0.353 -3.126 -9.100 295 HG3 LYS 36 HG3 LYS 36 -1.325 -2.182 -8.056 296 HD2 LYS 36 HD2 LYS 36 -0.141 -0.283 -8.644 297 HD3 LYS 36 HD3 LYS 36 1.072 -1.170 -9.528 298 HE2 LYS 36 HE2 LYS 36 -0.669 -1.897 -11.103 299 HE3 LYS 36 HE3 LYS 36 -1.861 -0.949 -10.218 300 HZ1 LYS 36 HZ1 LYS 36 -1.052 0.197 -12.186 301 HZ2 LYS 36 HZ2 LYS 36 0.529 0.148 -11.594 302 HZ3 LYS 36 HZ3 LYS 36 -0.654 1.049 -10.779 303 H VAL 37 H VAL 37 0.505 -3.157 -4.458 304 HA VAL 37 HA VAL 37 3.146 -3.250 -3.722 305 HB VAL 37 HB VAL 37 2.433 -3.183 -1.419 306 HG11 VAL 37 HG11 VAL 37 2.181 -1.156 -2.950 307 HG12 VAL 37 HG12 VAL 37 1.304 -1.125 -1.420 308 HG13 VAL 37 HG13 VAL 37 0.446 -1.511 -2.920 309 HG21 VAL 37 HG21 VAL 37 -0.121 -3.089 -1.067 310 HG22 VAL 37 HG22 VAL 37 0.748 -4.623 -1.065 311 HG23 VAL 37 HG23 VAL 37 -0.148 -4.117 -2.507 312 H ILE 38 H ILE 38 0.654 -5.621 -3.221 313 HA ILE 38 HA ILE 38 2.118 -7.547 -1.793 314 HB ILE 38 HB ILE 38 -0.168 -8.215 -3.630 315 HG12 ILE 38 HG12 ILE 38 -0.262 -6.655 -1.075 316 HG13 ILE 38 HG13 ILE 38 -1.066 -6.332 -2.586 317 HG21 ILE 38 HG21 ILE 38 -0.721 -9.877 -1.961 318 HG22 ILE 38 HG22 ILE 38 0.582 -9.302 -0.930 319 HG23 ILE 38 HG23 ILE 38 0.957 -10.056 -2.475 320 HD11 ILE 38 HD11 ILE 38 -2.479 -8.360 -2.145 321 HD12 ILE 38 HD12 ILE 38 -2.722 -6.993 -1.058 322 HD13 ILE 38 HD13 ILE 38 -1.780 -8.382 -0.525 323 H SER 39 H SER 39 1.719 -6.721 -5.103 324 HA SER 39 HA SER 39 2.835 -9.130 -6.098 325 HB2 SER 39 HB2 SER 39 1.213 -7.765 -7.401 326 HB3 SER 39 HB3 SER 39 2.428 -6.495 -7.522 327 HG SER 39 HG SER 39 3.201 -9.035 -8.348 328 H THR 40 H THR 40 3.970 -6.177 -4.903 329 HA THR 40 HA THR 40 6.561 -6.235 -6.169 330 HB THR 40 HB THR 40 5.485 -4.480 -3.959 331 HG1 THR 40 HG1 THR 40 4.406 -4.352 -6.056 332 HG21 THR 40 HG21 THR 40 7.306 -2.974 -4.497 333 HG22 THR 40 HG22 THR 40 7.894 -4.084 -5.735 334 HG23 THR 40 HG23 THR 40 7.947 -4.550 -4.035 335 H SER 41 H SER 41 5.321 -6.623 -2.837 336 HA SER 41 HA SER 41 8.014 -6.875 -1.837 337 HB2 SER 41 HB2 SER 41 6.811 -7.017 0.381 338 HB3 SER 41 HB3 SER 41 6.554 -5.541 -0.547 339 HG SER 41 HG SER 41 4.594 -6.379 0.279 340 H THR 42 H THR 42 5.735 -9.142 -2.934 341 HA THR 42 HA THR 42 6.373 -11.155 -0.980 342 HB THR 42 HB THR 42 5.033 -12.669 -2.479 343 HG1 THR 42 HG1 THR 42 3.956 -10.500 -3.822 344 HG21 THR 42 HG21 THR 42 3.762 -10.085 -1.562 345 HG22 THR 42 HG22 THR 42 4.034 -11.524 -0.574 346 HG23 THR 42 HG23 THR 42 2.895 -11.580 -1.918 347 H SER 43 H SER 43 8.638 -10.153 -2.199 348 HA SER 43 HA SER 43 9.826 -12.668 -3.030 349 HB2 SER 43 HB2 SER 43 10.210 -10.111 -4.619 350 HB3 SER 43 HB3 SER 43 11.059 -11.631 -4.895 351 HG SER 43 HG SER 43 8.333 -11.902 -4.849 352 H ASP 44 H ASP 44 9.693 -10.545 -0.818 353 HA ASP 44 HA ASP 44 12.333 -9.421 -0.689 354 HB2 ASP 44 HB2 ASP 44 10.506 -8.175 0.284 355 HB3 ASP 44 HB3 ASP 44 10.069 -9.534 1.313 356 HA PRO 45 HA PRO 45 14.175 -13.099 0.981 357 HB2 PRO 45 HB2 PRO 45 16.595 -11.960 1.562 358 HB3 PRO 45 HB3 PRO 45 16.118 -12.453 -0.032 359 HG2 PRO 45 HG2 PRO 45 16.143 -9.825 1.113 360 HG3 PRO 45 HG3 PRO 45 16.567 -10.298 -0.505 361 HD2 PRO 45 HD2 PRO 45 14.214 -9.105 0.127 362 HD3 PRO 45 HD3 PRO 45 14.394 -10.267 -1.193 363 H ASP 46 H ASP 46 13.920 -10.062 2.705 364 HA ASP 46 HA ASP 46 13.923 -9.505 4.911 365 HB2 ASP 46 HB2 ASP 46 11.941 -10.941 4.910 366 HB3 ASP 46 HB3 ASP 46 12.945 -12.355 5.198 367 H TYR 47 H TYR 47 16.197 -9.277 4.939 368 HA TYR 47 HA TYR 47 18.313 -9.607 5.571 369 HB2 TYR 47 HB2 TYR 47 17.030 -11.004 7.886 370 HB3 TYR 47 HB3 TYR 47 18.582 -10.207 7.844 371 HD1 TYR 47 HD1 TYR 47 15.028 -9.766 8.257 372 HD2 TYR 47 HD2 TYR 47 18.716 -7.728 7.685 373 HE1 TYR 47 HE1 TYR 47 13.979 -7.673 9.001 374 HE2 TYR 47 HE2 TYR 47 17.674 -5.625 8.428 375 HH TYR 47 HH TYR 47 14.683 -5.521 9.995 376 H ALA 48 H ALA 48 18.254 -11.188 3.673 377 HA ALA 48 HA ALA 48 19.271 -12.966 2.718 378 HB1 ALA 48 HB1 ALA 48 20.861 -14.292 3.968 379 HB2 ALA 48 HB2 ALA 48 20.230 -13.657 5.487 380 HB3 ALA 48 HB3 ALA 48 21.052 -12.582 4.357 381 H1 SER 0 H1 SER 0 5.749 14.262 9.527 382 H2 SER 0 H2 SER 0 5.633 13.173 8.240 383 H3 SER 0 H3 SER 0 4.454 13.169 9.453 384 HA SER 0 HA SER 0 3.580 14.228 7.523 385 HB2 SER 0 HB2 SER 0 3.003 15.108 9.800 386 HB3 SER 0 HB3 SER 0 4.283 16.303 9.619 387 HG SER 0 HG SER 0 1.810 16.112 8.310 388 H MET 1 H MET 1 3.808 15.592 5.797 389 HA MET 1 HA MET 1 4.813 16.817 4.187 390 HB2 MET 1 HB2 MET 1 6.520 17.804 6.473 391 HB3 MET 1 HB3 MET 1 6.599 18.447 4.838 392 HG2 MET 1 HG2 MET 1 4.277 19.151 4.986 393 HG3 MET 1 HG3 MET 1 4.168 18.474 6.611 394 HE1 MET 1 HE1 MET 1 3.377 21.472 5.845 395 HE2 MET 1 HE2 MET 1 4.072 22.356 7.202 396 HE3 MET 1 HE3 MET 1 3.240 20.828 7.480 397 H ASP 2 H ASP 2 5.632 15.338 2.864 398 HA ASP 2 HA ASP 2 7.923 13.764 3.345 399 HB2 ASP 2 HB2 ASP 2 7.854 13.322 0.893 400 HB3 ASP 2 HB3 ASP 2 6.302 13.076 1.682 401 H GLU 3 H GLU 3 9.938 14.459 3.548 402 HA GLU 3 HA GLU 3 10.784 16.786 1.956 403 HB2 GLU 3 HB2 GLU 3 10.219 17.377 4.334 404 HB3 GLU 3 HB3 GLU 3 11.572 16.364 4.825 405 HG2 GLU 3 HG2 GLU 3 12.236 18.671 4.744 406 HG3 GLU 3 HG3 GLU 3 13.087 17.756 3.508 407 H THR 4 H THR 4 12.175 14.431 4.260 408 HA THR 4 HA THR 4 14.695 14.530 2.870 409 HB THR 4 HB THR 4 14.021 12.610 5.085 410 HG1 THR 4 HG1 THR 4 13.319 14.501 5.957 411 HG21 THR 4 HG21 THR 4 16.244 12.464 4.025 412 HG22 THR 4 HG22 THR 4 16.346 12.974 5.709 413 HG23 THR 4 HG23 THR 4 16.528 14.160 4.418 414 H VAL 5 H VAL 5 12.795 13.605 1.128 415 HA VAL 5 HA VAL 5 12.509 10.767 1.135 416 HB VAL 5 HB VAL 5 11.496 11.041 -1.078 417 HG11 VAL 5 HG11 VAL 5 9.618 12.448 -0.411 418 HG12 VAL 5 HG12 VAL 5 10.577 13.113 0.910 419 HG13 VAL 5 HG13 VAL 5 10.134 11.407 0.916 420 HG21 VAL 5 HG21 VAL 5 12.269 13.935 -0.776 421 HG22 VAL 5 HG22 VAL 5 11.286 13.256 -2.074 422 HG23 VAL 5 HG23 VAL 5 12.980 12.790 -1.910 423 H LYS 6 H LYS 6 15.054 12.766 0.230 424 HA LYS 6 HA LYS 6 15.941 11.409 -2.096 425 HB2 LYS 6 HB2 LYS 6 17.476 13.170 -0.223 426 HB3 LYS 6 HB3 LYS 6 17.997 12.699 -1.825 427 HG2 LYS 6 HG2 LYS 6 16.098 13.856 -2.778 428 HG3 LYS 6 HG3 LYS 6 15.545 14.314 -1.175 429 HD2 LYS 6 HD2 LYS 6 17.624 15.578 -0.847 430 HD3 LYS 6 HD3 LYS 6 18.141 15.141 -2.471 431 HE2 LYS 6 HE2 LYS 6 16.171 16.281 -3.372 432 HE3 LYS 6 HE3 LYS 6 15.694 16.745 -1.746 433 HZ1 LYS 6 HZ1 LYS 6 18.221 17.549 -3.080 434 HZ2 LYS 6 HZ2 LYS 6 17.708 18.036 -1.547 435 HZ3 LYS 6 HZ3 LYS 6 16.853 18.528 -2.916 436 H LEU 7 H LEU 7 16.309 10.843 1.284 437 HA LEU 7 HA LEU 7 17.943 8.498 0.612 438 HB2 LEU 7 HB2 LEU 7 18.743 8.616 3.037 439 HB3 LEU 7 HB3 LEU 7 19.429 9.745 1.896 440 HG LEU 7 HG LEU 7 17.109 10.633 3.549 441 HD11 LEU 7 HD11 LEU 7 18.618 11.298 5.348 442 HD12 LEU 7 HD12 LEU 7 19.959 10.492 4.532 443 HD13 LEU 7 HD13 LEU 7 18.607 9.545 5.154 444 HD21 LEU 7 HD21 LEU 7 18.305 12.767 3.398 445 HD22 LEU 7 HD22 LEU 7 18.000 12.080 1.803 446 HD23 LEU 7 HD23 LEU 7 19.606 11.966 2.517 447 H ASN 8 H ASN 8 15.670 9.767 3.052 448 HA ASN 8 HA ASN 8 14.599 7.031 3.337 449 HB2 ASN 8 HB2 ASN 8 14.181 9.456 5.113 450 HB3 ASN 8 HB3 ASN 8 13.464 7.881 5.360 451 HD21 ASN 8 HD21 ASN 8 14.360 7.684 7.354 452 HD22 ASN 8 HD22 ASN 8 16.041 7.359 7.587 453 H HIS 9 H HIS 9 13.194 6.905 1.634 454 HA HIS 9 HA HIS 9 11.530 8.930 0.670 455 HB2 HIS 9 HB2 HIS 9 11.154 5.926 0.605 456 HB3 HIS 9 HB3 HIS 9 10.201 7.072 -0.336 457 HD1 HIS 9 HD1 HIS 9 13.387 5.229 -0.339 458 HD2 HIS 9 HD2 HIS 9 11.718 8.451 -2.365 459 HE1 HIS 9 HE1 HIS 9 14.862 5.606 -2.337 460 HE2 HIS 9 HE2 HIS 9 13.734 7.444 -3.636 461 H THR 10 H THR 10 9.762 9.863 1.486 462 HA THR 10 HA THR 10 8.859 9.121 4.091 463 HB THR 10 HB THR 10 7.623 11.128 2.185 464 HG1 THR 10 HG1 THR 10 9.990 11.137 3.567 465 HG21 THR 10 HG21 THR 10 6.812 12.207 4.237 466 HG22 THR 10 HG22 THR 10 7.536 10.921 5.203 467 HG23 THR 10 HG23 THR 10 6.203 10.557 4.108 468 H CYS 11 H CYS 11 7.143 7.976 4.714 469 HA CYS 11 HA CYS 11 5.838 6.352 2.784 470 HB2 CYS 11 HB2 CYS 11 6.273 5.528 5.016 471 HB3 CYS 11 HB3 CYS 11 5.322 6.833 5.720 472 H VAL 12 H VAL 12 4.021 6.663 1.702 473 HA VAL 12 HA VAL 12 2.481 9.034 1.828 474 HB VAL 12 HB VAL 12 0.845 7.834 0.400 475 HG11 VAL 12 HG11 VAL 12 2.345 7.345 -1.498 476 HG12 VAL 12 HG12 VAL 12 3.724 7.488 -0.405 477 HG13 VAL 12 HG13 VAL 12 2.695 8.886 -0.712 478 HG21 VAL 12 HG21 VAL 12 2.640 5.458 0.851 479 HG22 VAL 12 HG22 VAL 12 1.351 5.541 -0.349 480 HG23 VAL 12 HG23 VAL 12 0.964 5.629 1.371 481 H ILE 13 H ILE 13 2.428 6.135 3.655 482 HA ILE 13 HA ILE 13 -0.346 6.415 4.437 483 HB ILE 13 HB ILE 13 1.605 4.380 5.441 484 HG12 ILE 13 HG12 ILE 13 1.478 4.391 2.956 485 HG13 ILE 13 HG13 ILE 13 0.920 2.907 3.707 486 HG21 ILE 13 HG21 ILE 13 -1.396 4.393 5.284 487 HG22 ILE 13 HG22 ILE 13 -0.426 4.577 6.745 488 HG23 ILE 13 HG23 ILE 13 -0.407 3.052 5.862 489 HD11 ILE 13 HD11 ILE 13 -0.841 5.109 2.727 490 HD12 ILE 13 HD12 ILE 13 -1.362 3.569 3.417 491 HD13 ILE 13 HD13 ILE 13 -0.500 3.605 1.873 492 H CYS 14 H CYS 14 2.756 6.028 6.059 493 HA CYS 14 HA CYS 14 1.578 6.954 8.535 494 HB2 CYS 14 HB2 CYS 14 4.306 5.813 8.316 495 HB3 CYS 14 HB3 CYS 14 3.179 5.723 9.645 496 H ASP 15 H ASP 15 2.970 8.366 6.040 497 HA ASP 15 HA ASP 15 4.084 10.275 5.602 498 HB2 ASP 15 HB2 ASP 15 3.360 12.195 6.845 499 HB3 ASP 15 HB3 ASP 15 2.059 11.072 6.549 500 H GLN 16 H GLN 16 5.644 8.464 7.027 501 HA GLN 16 HA GLN 16 7.568 10.271 8.292 502 HB2 GLN 16 HB2 GLN 16 6.732 7.559 8.962 503 HB3 GLN 16 HB3 GLN 16 8.463 7.805 8.951 504 HG2 GLN 16 HG2 GLN 16 7.724 8.146 11.095 505 HG3 GLN 16 HG3 GLN 16 8.125 9.710 10.468 506 HE21 GLN 16 HE21 GLN 16 6.520 11.178 10.198 507 HE22 GLN 16 HE22 GLN 16 4.965 10.942 10.880 508 H GLU 17 H GLU 17 9.737 9.910 7.889 509 HA GLU 17 HA GLU 17 10.300 9.281 5.126 510 HB2 GLU 17 HB2 GLU 17 12.018 10.534 7.262 511 HB3 GLU 17 HB3 GLU 17 12.406 10.435 5.549 512 HG2 GLU 17 HG2 GLU 17 10.792 11.958 4.953 513 HG3 GLU 17 HG3 GLU 17 9.864 11.720 6.428 514 H LYS 18 H LYS 18 10.469 7.206 4.824 515 HA LYS 18 HA LYS 18 12.219 5.609 6.577 516 HB2 LYS 18 HB2 LYS 18 10.306 4.199 4.897 517 HB3 LYS 18 HB3 LYS 18 10.789 3.873 6.525 518 HG2 LYS 18 HG2 LYS 18 8.835 5.975 5.692 519 HG3 LYS 18 HG3 LYS 18 8.437 4.398 6.363 520 HD2 LYS 18 HD2 LYS 18 10.212 6.216 7.886 521 HD3 LYS 18 HD3 LYS 18 8.490 6.494 7.848 522 HE2 LYS 18 HE2 LYS 18 9.069 5.228 9.797 523 HE3 LYS 18 HE3 LYS 18 8.134 4.262 8.684 524 HZ1 LYS 18 HZ1 LYS 18 10.114 3.124 7.986 525 HZ2 LYS 18 HZ2 LYS 18 10.001 3.048 9.670 526 HZ3 LYS 18 HZ3 LYS 18 11.078 4.131 8.945 527 H ASN 19 H ASN 19 13.848 4.500 5.649 528 HA ASN 19 HA ASN 19 14.105 4.719 2.759 529 HB2 ASN 19 HB2 ASN 19 16.038 5.489 3.807 530 HB3 ASN 19 HB3 ASN 19 16.036 4.182 4.959 531 HD21 ASN 19 HD21 ASN 19 16.757 5.150 1.713 532 HD22 ASN 19 HD22 ASN 19 17.795 3.784 1.317 533 H ARG 20 H ARG 20 12.822 2.597 4.919 534 HA ARG 20 HA ARG 20 13.303 0.350 3.085 535 HB2 ARG 20 HB2 ARG 20 13.060 0.215 6.089 536 HB3 ARG 20 HB3 ARG 20 12.970 -1.178 5.043 537 HG2 ARG 20 HG2 ARG 20 15.221 -0.800 4.302 538 HG3 ARG 20 HG3 ARG 20 15.298 0.681 5.248 539 HD2 ARG 20 HD2 ARG 20 14.879 -0.561 7.267 540 HD3 ARG 20 HD3 ARG 20 14.803 -2.008 6.311 541 HE ARG 20 HE ARG 20 17.267 -0.780 5.838 542 HH11 ARG 20 HH11 ARG 20 15.590 -2.481 8.395 543 HH12 ARG 20 HH12 ARG 20 17.047 -2.972 9.195 544 HH21 ARG 20 HH21 ARG 20 19.179 -1.412 6.886 545 HH22 ARG 20 HH22 ARG 20 19.098 -2.364 8.335 546 H GLY 21 H GLY 21 11.634 -0.449 2.148 547 HA2 GLY 21 HA2 GLY 21 9.201 -1.246 2.994 548 HA3 GLY 21 HA3 GLY 21 8.934 0.469 2.685 549 H ILE 22 H ILE 22 7.606 0.135 0.718 550 HA ILE 22 HA ILE 22 9.310 -0.735 -1.504 551 HB ILE 22 HB ILE 22 7.644 -1.939 -2.541 552 HG12 ILE 22 HG12 ILE 22 5.699 -0.438 -0.825 553 HG13 ILE 22 HG13 ILE 22 6.003 -0.192 -2.508 554 HG21 ILE 22 HG21 ILE 22 7.192 -2.306 0.413 555 HG22 ILE 22 HG22 ILE 22 8.225 -3.256 -0.658 556 HG23 ILE 22 HG23 ILE 22 6.467 -3.348 -0.811 557 HD11 ILE 22 HD11 ILE 22 3.943 -1.397 -2.165 558 HD12 ILE 22 HD12 ILE 22 4.819 -2.659 -1.300 559 HD13 ILE 22 HD13 ILE 22 5.125 -2.391 -3.018 560 H HIS 23 H HIS 23 7.857 -0.027 -3.568 561 HA HIS 23 HA HIS 23 6.888 2.648 -3.277 562 HB2 HIS 23 HB2 HIS 23 8.671 3.726 -4.632 563 HB3 HIS 23 HB3 HIS 23 9.238 3.167 -3.077 564 HD1 HIS 23 HD1 HIS 23 9.770 2.793 -6.715 565 HD2 HIS 23 HD2 HIS 23 10.964 0.980 -3.195 566 HE1 HIS 23 HE1 HIS 23 11.768 1.393 -7.329 567 HE2 HIS 23 HE2 HIS 23 12.560 0.407 -5.152 568 H LEU 24 H LEU 24 5.261 2.688 -4.581 569 HA LEU 24 HA LEU 24 5.442 1.452 -7.206 570 HB2 LEU 24 HB2 LEU 24 3.076 2.517 -5.667 571 HB3 LEU 24 HB3 LEU 24 3.028 1.717 -7.186 572 HG LEU 24 HG LEU 24 3.929 0.407 -4.645 573 HD11 LEU 24 HD11 LEU 24 1.298 0.342 -6.102 574 HD12 LEU 24 HD12 LEU 24 1.607 0.934 -4.468 575 HD13 LEU 24 HD13 LEU 24 1.757 -0.786 -4.829 576 HD21 LEU 24 HD21 LEU 24 3.705 -1.668 -5.923 577 HD22 LEU 24 HD22 LEU 24 4.906 -0.596 -6.646 578 HD23 LEU 24 HD23 LEU 24 3.302 -0.737 -7.367 579 H TYR 25 H TYR 25 5.287 2.771 -9.002 580 HA TYR 25 HA TYR 25 5.197 4.671 -10.253 581 HB2 TYR 25 HB2 TYR 25 3.638 5.918 -8.018 582 HB3 TYR 25 HB3 TYR 25 3.619 6.394 -9.697 583 HD1 TYR 25 HD1 TYR 25 3.468 2.835 -8.970 584 HD2 TYR 25 HD2 TYR 25 1.084 6.316 -9.564 585 HE1 TYR 25 HE1 TYR 25 1.502 1.429 -9.251 586 HE2 TYR 25 HE2 TYR 25 -0.887 4.905 -9.877 587 HH TYR 25 HH TYR 25 -1.675 2.819 -9.979 588 H THR 26 H THR 26 4.919 7.131 -8.096 589 HA THR 26 HA THR 26 7.824 7.333 -7.745 590 HB THR 26 HB THR 26 7.213 9.165 -9.031 591 HG1 THR 26 HG1 THR 26 7.607 9.700 -6.370 592 HG21 THR 26 HG21 THR 26 4.783 8.774 -8.839 593 HG22 THR 26 HG22 THR 26 5.220 10.485 -8.769 594 HG23 THR 26 HG23 THR 26 4.797 9.623 -7.290 595 H LYS 27 H LYS 27 5.335 6.229 -6.029 596 HA LYS 27 HA LYS 27 5.732 7.875 -3.637 597 HB2 LYS 27 HB2 LYS 27 3.813 5.778 -3.269 598 HB3 LYS 27 HB3 LYS 27 3.582 7.518 -3.214 599 HG2 LYS 27 HG2 LYS 27 3.617 5.881 -5.714 600 HG3 LYS 27 HG3 LYS 27 2.166 6.370 -4.860 601 HD2 LYS 27 HD2 LYS 27 4.234 8.211 -6.012 602 HD3 LYS 27 HD3 LYS 27 2.674 7.851 -6.732 603 HE2 LYS 27 HE2 LYS 27 2.129 8.608 -4.091 604 HE3 LYS 27 HE3 LYS 27 3.371 9.719 -4.639 605 HZ1 LYS 27 HZ1 LYS 27 1.106 10.527 -5.061 606 HZ2 LYS 27 HZ2 LYS 27 0.845 9.222 -6.107 607 HZ3 LYS 27 HZ3 LYS 27 2.020 10.379 -6.475 608 H PHE 28 H PHE 28 5.151 6.434 -1.644 609 HA PHE 28 HA PHE 28 6.774 4.032 -1.535 610 HB2 PHE 28 HB2 PHE 28 8.391 5.813 -1.227 611 HB3 PHE 28 HB3 PHE 28 7.401 6.541 0.029 612 HD1 PHE 28 HD1 PHE 28 7.533 5.854 2.228 613 HD2 PHE 28 HD2 PHE 28 9.431 3.531 -0.774 614 HE1 PHE 28 HE1 PHE 28 8.646 4.539 3.960 615 HE2 PHE 28 HE2 PHE 28 10.538 2.186 0.970 616 HZ PHE 28 HZ PHE 28 10.121 2.675 3.365 617 H ILE 29 H ILE 29 5.295 2.713 -0.663 618 HA ILE 29 HA ILE 29 3.935 3.504 1.813 619 HB ILE 29 HB ILE 29 3.993 0.788 0.456 620 HG12 ILE 29 HG12 ILE 29 1.479 1.464 0.055 621 HG13 ILE 29 HG13 ILE 29 2.127 3.099 0.145 622 HG21 ILE 29 HG21 ILE 29 2.148 0.196 1.935 623 HG22 ILE 29 HG22 ILE 29 2.208 1.791 2.689 624 HG23 ILE 29 HG23 ILE 29 3.575 0.676 2.870 625 HD11 ILE 29 HD11 ILE 29 1.991 2.282 -2.153 626 HD12 ILE 29 HD12 ILE 29 3.071 0.953 -1.741 627 HD13 ILE 29 HD13 ILE 29 3.653 2.616 -1.674 628 H CYS 30 H CYS 30 5.045 3.185 3.762 629 HA CYS 30 HA CYS 30 7.588 1.895 3.459 630 HB2 CYS 30 HB2 CYS 30 8.172 2.527 5.624 631 HB3 CYS 30 HB3 CYS 30 7.275 3.843 4.943 632 H LEU 31 H LEU 31 8.249 0.321 5.098 633 HA LEU 31 HA LEU 31 7.193 -1.978 4.097 634 HB2 LEU 31 HB2 LEU 31 8.890 -3.042 5.235 635 HB3 LEU 31 HB3 LEU 31 9.506 -1.445 4.987 636 HG LEU 31 HG LEU 31 8.576 -1.040 7.413 637 HD11 LEU 31 HD11 LEU 31 9.130 -4.002 7.447 638 HD12 LEU 31 HD12 LEU 31 7.552 -3.245 7.663 639 HD13 LEU 31 HD13 LEU 31 8.825 -2.982 8.853 640 HD21 LEU 31 HD21 LEU 31 10.897 -0.805 6.705 641 HD22 LEU 31 HD22 LEU 31 11.122 -2.547 6.851 642 HD23 LEU 31 HD23 LEU 31 10.785 -1.580 8.286 643 H ASP 32 H ASP 32 6.015 -0.196 6.733 644 HA ASP 32 HA ASP 32 5.167 -2.465 8.258 645 HB2 ASP 32 HB2 ASP 32 4.565 -0.895 9.813 646 HB3 ASP 32 HB3 ASP 32 5.980 -0.208 9.130 647 H CYS 33 H CYS 33 3.703 0.142 6.571 648 HA CYS 33 HA CYS 33 1.050 -0.657 6.669 649 HB2 CYS 33 HB2 CYS 33 0.911 1.158 4.837 650 HB3 CYS 33 HB3 CYS 33 1.425 1.619 6.431 651 H GLU 34 H GLU 34 3.629 -0.939 4.503 652 HA GLU 34 HA GLU 34 2.361 -1.851 2.228 653 HB2 GLU 34 HB2 GLU 34 4.739 -1.319 2.262 654 HB3 GLU 34 HB3 GLU 34 5.047 -2.652 3.334 655 HG2 GLU 34 HG2 GLU 34 3.750 -3.446 0.875 656 HG3 GLU 34 HG3 GLU 34 5.324 -2.735 0.645 657 H ARG 35 H ARG 35 3.563 -3.789 4.947 658 HA ARG 35 HA ARG 35 2.263 -6.113 3.923 659 HB2 ARG 35 HB2 ARG 35 2.922 -7.266 5.906 660 HB3 ARG 35 HB3 ARG 35 4.252 -6.208 5.463 661 HG2 ARG 35 HG2 ARG 35 3.411 -4.578 7.158 662 HG3 ARG 35 HG3 ARG 35 2.266 -5.805 7.670 663 HD2 ARG 35 HD2 ARG 35 5.234 -5.948 7.755 664 HD3 ARG 35 HD3 ARG 35 4.135 -5.923 9.122 665 HE ARG 35 HE ARG 35 3.471 -8.142 7.596 666 HH11 ARG 35 HH11 ARG 35 6.198 -7.005 9.475 667 HH12 ARG 35 HH12 ARG 35 6.798 -8.600 9.801 668 HH21 ARG 35 HH21 ARG 35 4.265 -10.240 8.022 669 HH22 ARG 35 HH22 ARG 35 5.704 -10.436 8.976 670 H LYS 36 H LYS 36 1.185 -3.459 5.755 671 HA LYS 36 HA LYS 36 -0.810 -4.666 7.319 672 HB2 LYS 36 HB2 LYS 36 -0.484 -1.870 6.269 673 HB3 LYS 36 HB3 LYS 36 -1.731 -2.350 7.380 674 HG2 LYS 36 HG2 LYS 36 0.213 -3.098 8.864 675 HG3 LYS 36 HG3 LYS 36 1.201 -2.175 7.818 676 HD2 LYS 36 HD2 LYS 36 0.052 -0.257 8.396 677 HD3 LYS 36 HD3 LYS 36 -1.181 -1.116 9.280 678 HE2 LYS 36 HE2 LYS 36 0.542 -1.870 10.861 679 HE3 LYS 36 HE3 LYS 36 1.753 -0.944 9.976 680 HZ1 LYS 36 HZ1 LYS 36 0.959 0.222 11.939 681 HZ2 LYS 36 HZ2 LYS 36 -0.623 0.195 11.342 682 HZ3 LYS 36 HZ3 LYS 36 0.575 1.074 10.529 683 H VAL 37 H VAL 37 -0.641 -3.134 4.224 684 HA VAL 37 HA VAL 37 -3.283 -3.185 3.484 685 HB VAL 37 HB VAL 37 -2.567 -3.140 1.182 686 HG11 VAL 37 HG11 VAL 37 -2.281 -1.111 2.704 687 HG12 VAL 37 HG12 VAL 37 -1.402 -1.100 1.178 688 HG13 VAL 37 HG13 VAL 37 -0.554 -1.496 2.678 689 HG21 VAL 37 HG21 VAL 37 -0.011 -3.091 0.832 690 HG22 VAL 37 HG22 VAL 37 -0.907 -4.610 0.837 691 HG23 VAL 37 HG23 VAL 37 -0.004 -4.112 2.278 692 H ILE 38 H ILE 38 -0.831 -5.599 2.998 693 HA ILE 38 HA ILE 38 -2.327 -7.505 1.574 694 HB ILE 38 HB ILE 38 -0.054 -8.206 3.416 695 HG12 ILE 38 HG12 ILE 38 0.066 -6.659 0.855 696 HG13 ILE 38 HG13 ILE 38 0.876 -6.343 2.365 697 HG21 ILE 38 HG21 ILE 38 0.471 -9.883 1.755 698 HG22 ILE 38 HG22 ILE 38 -0.822 -9.289 0.719 699 HG23 ILE 38 HG23 ILE 38 -1.211 -10.031 2.267 700 HD11 ILE 38 HD11 ILE 38 2.251 -8.399 1.933 701 HD12 ILE 38 HD12 ILE 38 2.521 -7.039 0.843 702 HD13 ILE 38 HD13 ILE 38 1.556 -8.412 0.313 703 H SER 39 H SER 39 -1.918 -6.674 4.881 704 HA SER 39 HA SER 39 -3.074 -9.060 5.886 705 HB2 SER 39 HB2 SER 39 -1.436 -7.718 7.189 706 HB3 SER 39 HB3 SER 39 -2.626 -6.425 7.299 707 HG SER 39 HG SER 39 -3.460 -8.938 8.134 708 H THR 40 H THR 40 -4.162 -6.093 4.678 709 HA THR 40 HA THR 40 -6.756 -6.104 5.942 710 HB THR 40 HB THR 40 -5.642 -4.369 3.731 711 HG1 THR 40 HG1 THR 40 -4.568 -4.250 5.826 712 HG21 THR 40 HG21 THR 40 -7.441 -2.833 4.256 713 HG22 THR 40 HG22 THR 40 -8.051 -3.928 5.499 714 HG23 THR 40 HG23 THR 40 -8.109 -4.401 3.799 715 H SER 41 H SER 41 -5.516 -6.522 2.610 716 HA SER 41 HA SER 41 -8.211 -6.731 1.609 717 HB2 SER 41 HB2 SER 41 -7.003 -6.906 -0.605 718 HB3 SER 41 HB3 SER 41 -6.728 -5.428 0.316 719 HG SER 41 HG SER 41 -4.784 -6.315 -0.512 720 H THR 42 H THR 42 -5.967 -9.031 2.711 721 HA THR 42 HA THR 42 -6.643 -11.045 0.767 722 HB THR 42 HB THR 42 -5.332 -12.571 2.283 723 HG1 THR 42 HG1 THR 42 -4.211 -10.425 3.615 724 HG21 THR 42 HG21 THR 42 -4.016 -10.013 1.349 725 HG22 THR 42 HG22 THR 42 -4.310 -11.451 0.369 726 HG23 THR 42 HG23 THR 42 -3.175 -11.522 1.715 727 H SER 43 H SER 43 -8.892 -9.996 1.976 728 HA SER 43 HA SER 43 -10.125 -12.485 2.823 729 HB2 SER 43 HB2 SER 43 -10.477 -9.912 4.391 730 HB3 SER 43 HB3 SER 43 -11.330 -11.426 4.687 731 HG SER 43 HG SER 43 -8.628 -11.766 4.635 732 H ASP 44 H ASP 44 -9.953 -10.381 0.598 733 HA ASP 44 HA ASP 44 -12.570 -9.206 0.461 734 HB2 ASP 44 HB2 ASP 44 -10.721 -8.001 -0.517 735 HB3 ASP 44 HB3 ASP 44 -10.306 -9.373 -1.537 736 HA PRO 45 HA PRO 45 -14.474 -12.861 -1.197 737 HB2 PRO 45 HB2 PRO 45 -16.882 -11.691 -1.759 738 HB3 PRO 45 HB3 PRO 45 -16.398 -12.205 -0.152 739 HG2 PRO 45 HG2 PRO 45 -16.379 -9.505 -1.384 740 HG3 PRO 45 HG3 PRO 45 -16.832 -10.007 0.245 741 HD2 PRO 45 HD2 PRO 45 -14.441 -8.861 -0.340 742 HD3 PRO 45 HD3 PRO 45 -14.651 -10.028 0.982 743 H ASP 46 H ASP 46 -14.171 -9.834 -2.926 744 HA ASP 46 HA ASP 46 -14.159 -9.287 -5.135 745 HB2 ASP 46 HB2 ASP 46 -12.204 -10.757 -5.120 746 HB3 ASP 46 HB3 ASP 46 -13.233 -12.156 -5.409 747 H TYR 47 H TYR 47 -16.423 -9.015 -5.173 748 HA TYR 47 HA TYR 47 -18.547 -9.315 -5.800 749 HB2 TYR 47 HB2 TYR 47 -17.285 -10.742 -8.108 750 HB3 TYR 47 HB3 TYR 47 -18.825 -9.919 -8.073 751 HD1 TYR 47 HD1 TYR 47 -15.261 -9.544 -8.484 752 HD2 TYR 47 HD2 TYR 47 -18.913 -7.437 -7.920 753 HE1 TYR 47 HE1 TYR 47 -14.174 -7.472 -9.235 754 HE2 TYR 47 HE2 TYR 47 -17.835 -5.358 -8.671 755 HH TYR 47 HH TYR 47 -14.814 -5.321 -10.220 756 H ALA 48 H ALA 48 -18.514 -10.896 -3.894 757 HA ALA 48 HA ALA 48 -19.563 -12.652 -2.934 758 HB1 ALA 48 HB1 ALA 48 -21.178 -13.949 -4.180 759 HB2 ALA 48 HB2 ALA 48 -20.538 -13.332 -5.702 760 HB3 ALA 48 HB3 ALA 48 -21.339 -12.238 -4.575 Start of MODEL 18 1 H1 SER 0 H1 SER 0 4.170 14.959 4.303 2 H2 SER 0 H2 SER 0 4.356 14.032 2.903 3 H3 SER 0 H3 SER 0 3.504 13.401 4.225 4 HA SER 0 HA SER 0 2.700 15.681 2.516 5 HB2 SER 0 HB2 SER 0 2.381 13.467 1.482 6 HB3 SER 0 HB3 SER 0 1.501 12.922 2.908 7 HG SER 0 HG SER 0 0.678 15.166 1.388 8 H MET 1 H MET 1 2.245 13.833 5.437 9 HA MET 1 HA MET 1 1.246 14.297 7.403 10 HB2 MET 1 HB2 MET 1 2.232 16.577 7.061 11 HB3 MET 1 HB3 MET 1 0.709 17.069 6.336 12 HG2 MET 1 HG2 MET 1 -0.447 16.572 8.435 13 HG3 MET 1 HG3 MET 1 1.089 16.098 9.160 14 HE1 MET 1 HE1 MET 1 0.515 19.070 6.634 15 HE2 MET 1 HE2 MET 1 0.153 20.390 7.743 16 HE3 MET 1 HE3 MET 1 -0.970 19.040 7.584 17 H ASP 2 H ASP 2 -0.163 12.802 6.006 18 HA ASP 2 HA ASP 2 -2.180 12.042 5.332 19 HB2 ASP 2 HB2 ASP 2 -3.951 12.248 7.092 20 HB3 ASP 2 HB3 ASP 2 -2.404 11.629 7.634 21 H GLU 3 H GLU 3 -2.663 13.011 3.446 22 HA GLU 3 HA GLU 3 -4.171 15.426 3.272 23 HB2 GLU 3 HB2 GLU 3 -3.537 13.227 1.331 24 HB3 GLU 3 HB3 GLU 3 -4.596 14.567 0.907 25 HG2 GLU 3 HG2 GLU 3 -1.773 14.872 1.895 26 HG3 GLU 3 HG3 GLU 3 -2.256 14.878 0.206 27 H THR 4 H THR 4 -6.375 15.675 2.870 28 HA THR 4 HA THR 4 -8.043 13.611 4.016 29 HB THR 4 HB THR 4 -9.870 15.345 3.608 30 HG1 THR 4 HG1 THR 4 -8.410 16.458 2.000 31 HG21 THR 4 HG21 THR 4 -8.828 15.034 5.790 32 HG22 THR 4 HG22 THR 4 -9.132 16.745 5.488 33 HG23 THR 4 HG23 THR 4 -7.501 16.096 5.322 34 H VAL 5 H VAL 5 -9.549 12.395 2.993 35 HA VAL 5 HA VAL 5 -9.700 12.642 0.064 36 HB VAL 5 HB VAL 5 -10.142 10.199 0.015 37 HG11 VAL 5 HG11 VAL 5 -7.819 9.513 0.402 38 HG12 VAL 5 HG12 VAL 5 -7.526 11.019 1.271 39 HG13 VAL 5 HG13 VAL 5 -7.910 11.054 -0.450 40 HG21 VAL 5 HG21 VAL 5 -9.606 8.858 1.976 41 HG22 VAL 5 HG22 VAL 5 -10.944 9.960 2.305 42 HG23 VAL 5 HG23 VAL 5 -9.330 10.328 2.908 43 H LYS 6 H LYS 6 -11.706 12.310 -0.940 44 HA LYS 6 HA LYS 6 -13.961 12.861 0.845 45 HB2 LYS 6 HB2 LYS 6 -13.435 13.513 -2.017 46 HB3 LYS 6 HB3 LYS 6 -15.057 13.598 -1.371 47 HG2 LYS 6 HG2 LYS 6 -14.137 15.781 -1.315 48 HG3 LYS 6 HG3 LYS 6 -14.189 15.181 0.336 49 HD2 LYS 6 HD2 LYS 6 -11.788 14.551 0.115 50 HD3 LYS 6 HD3 LYS 6 -11.782 15.343 -1.456 51 HE2 LYS 6 HE2 LYS 6 -12.493 16.695 1.122 52 HE3 LYS 6 HE3 LYS 6 -10.900 16.751 0.385 53 HZ1 LYS 6 HZ1 LYS 6 -12.191 18.717 -0.143 54 HZ2 LYS 6 HZ2 LYS 6 -13.410 17.770 -0.834 55 HZ3 LYS 6 HZ3 LYS 6 -11.876 17.825 -1.546 56 H LEU 7 H LEU 7 -15.991 12.258 -1.142 57 HA LEU 7 HA LEU 7 -16.801 9.817 -0.262 58 HB2 LEU 7 HB2 LEU 7 -18.397 9.729 -2.091 59 HB3 LEU 7 HB3 LEU 7 -18.314 11.322 -1.389 60 HG LEU 7 HG LEU 7 -16.833 10.663 -3.921 61 HD11 LEU 7 HD11 LEU 7 -19.685 11.604 -3.653 62 HD12 LEU 7 HD12 LEU 7 -19.157 10.051 -4.300 63 HD13 LEU 7 HD13 LEU 7 -18.763 11.543 -5.154 64 HD21 LEU 7 HD21 LEU 7 -16.216 12.717 -2.828 65 HD22 LEU 7 HD22 LEU 7 -17.908 13.187 -2.691 66 HD23 LEU 7 HD23 LEU 7 -17.148 13.089 -4.278 67 H ASN 8 H ASN 8 -15.302 10.275 -3.502 68 HA ASN 8 HA ASN 8 -14.519 7.459 -3.465 69 HB2 ASN 8 HB2 ASN 8 -13.864 9.658 -5.448 70 HB3 ASN 8 HB3 ASN 8 -13.325 8.006 -5.596 71 HD21 ASN 8 HD21 ASN 8 -14.320 7.774 -7.559 72 HD22 ASN 8 HD22 ASN 8 -16.034 7.609 -7.722 73 H HIS 9 H HIS 9 -12.993 7.151 -1.939 74 HA HIS 9 HA HIS 9 -11.211 9.112 -1.047 75 HB2 HIS 9 HB2 HIS 9 -10.931 6.117 -0.909 76 HB3 HIS 9 HB3 HIS 9 -9.940 7.253 -0.021 77 HD1 HIS 9 HD1 HIS 9 -10.633 6.828 2.341 78 HD2 HIS 9 HD2 HIS 9 -13.892 7.337 -0.191 79 HE1 HIS 9 HE1 HIS 9 -12.646 6.905 3.837 80 HE2 HIS 9 HE2 HIS 9 -14.579 7.386 2.300 81 H THR 10 H THR 10 -9.249 9.716 -1.705 82 HA THR 10 HA THR 10 -8.584 8.988 -4.422 83 HB THR 10 HB THR 10 -7.269 11.023 -2.595 84 HG1 THR 10 HG1 THR 10 -8.759 12.092 -4.562 85 HG21 THR 10 HG21 THR 10 -6.470 12.028 -4.720 86 HG22 THR 10 HG22 THR 10 -7.128 10.646 -5.594 87 HG23 THR 10 HG23 THR 10 -5.814 10.416 -4.443 88 H CYS 11 H CYS 11 -6.899 7.839 -5.063 89 HA CYS 11 HA CYS 11 -5.583 6.167 -3.180 90 HB2 CYS 11 HB2 CYS 11 -6.136 5.686 -5.620 91 HB3 CYS 11 HB3 CYS 11 -4.748 6.678 -6.024 92 H VAL 12 H VAL 12 -3.878 6.632 -1.979 93 HA VAL 12 HA VAL 12 -2.224 8.878 -2.224 94 HB VAL 12 HB VAL 12 -0.586 7.606 -0.837 95 HG11 VAL 12 HG11 VAL 12 -2.054 7.346 1.134 96 HG12 VAL 12 HG12 VAL 12 -3.453 7.566 0.081 97 HG13 VAL 12 HG13 VAL 12 -2.285 8.873 0.283 98 HG21 VAL 12 HG21 VAL 12 -0.955 5.379 -1.717 99 HG22 VAL 12 HG22 VAL 12 -2.605 5.382 -1.092 100 HG23 VAL 12 HG23 VAL 12 -1.239 5.399 0.024 101 H ILE 13 H ILE 13 -2.350 6.011 -4.071 102 HA ILE 13 HA ILE 13 0.439 6.135 -4.841 103 HB ILE 13 HB ILE 13 -1.620 4.265 -5.941 104 HG12 ILE 13 HG12 ILE 13 -1.605 4.110 -3.481 105 HG13 ILE 13 HG13 ILE 13 -0.970 2.659 -4.245 106 HG21 ILE 13 HG21 ILE 13 0.307 2.849 -6.389 107 HG22 ILE 13 HG22 ILE 13 1.368 4.074 -5.693 108 HG23 ILE 13 HG23 ILE 13 0.469 4.420 -7.171 109 HD11 ILE 13 HD11 ILE 13 0.288 3.401 -2.290 110 HD12 ILE 13 HD12 ILE 13 0.707 4.874 -3.162 111 HD13 ILE 13 HD13 ILE 13 1.252 3.307 -3.765 112 H CYS 14 H CYS 14 -2.634 5.958 -6.646 113 HA CYS 14 HA CYS 14 -1.240 7.167 -8.871 114 HB2 CYS 14 HB2 CYS 14 -3.072 6.284 -10.255 115 HB3 CYS 14 HB3 CYS 14 -2.214 5.038 -9.386 116 H ASP 15 H ASP 15 -2.899 8.243 -6.390 117 HA ASP 15 HA ASP 15 -4.063 10.103 -5.866 118 HB2 ASP 15 HB2 ASP 15 -2.428 10.911 -8.175 119 HB3 ASP 15 HB3 ASP 15 -3.626 12.044 -7.587 120 H GLN 16 H GLN 16 -5.503 8.175 -7.421 121 HA GLN 16 HA GLN 16 -7.350 9.882 -8.889 122 HB2 GLN 16 HB2 GLN 16 -6.947 6.895 -8.936 123 HB3 GLN 16 HB3 GLN 16 -8.173 7.751 -9.854 124 HG2 GLN 16 HG2 GLN 16 -5.220 8.056 -10.134 125 HG3 GLN 16 HG3 GLN 16 -6.278 7.226 -11.229 126 HE21 GLN 16 HE21 GLN 16 -5.089 10.214 -10.201 127 HE22 GLN 16 HE22 GLN 16 -5.837 11.138 -11.431 128 H GLU 17 H GLU 17 -9.501 9.780 -8.449 129 HA GLU 17 HA GLU 17 -10.183 9.298 -5.698 130 HB2 GLU 17 HB2 GLU 17 -11.782 10.492 -7.968 131 HB3 GLU 17 HB3 GLU 17 -12.308 10.420 -6.294 132 HG2 GLU 17 HG2 GLU 17 -10.720 11.948 -5.602 133 HG3 GLU 17 HG3 GLU 17 -9.739 11.720 -7.042 134 H LYS 18 H LYS 18 -10.586 7.308 -5.232 135 HA LYS 18 HA LYS 18 -12.258 5.668 -7.021 136 HB2 LYS 18 HB2 LYS 18 -10.405 4.353 -5.181 137 HB3 LYS 18 HB3 LYS 18 -10.915 3.862 -6.766 138 HG2 LYS 18 HG2 LYS 18 -8.878 5.962 -6.127 139 HG3 LYS 18 HG3 LYS 18 -8.558 4.346 -6.746 140 HD2 LYS 18 HD2 LYS 18 -10.302 6.226 -8.247 141 HD3 LYS 18 HD3 LYS 18 -8.572 6.355 -8.351 142 HE2 LYS 18 HE2 LYS 18 -9.231 5.058 -10.184 143 HE3 LYS 18 HE3 LYS 18 -8.566 3.960 -8.999 144 HZ1 LYS 18 HZ1 LYS 18 -10.776 3.313 -8.350 145 HZ2 LYS 18 HZ2 LYS 18 -10.588 3.108 -10.011 146 HZ3 LYS 18 HZ3 LYS 18 -11.452 4.432 -9.421 147 H ASN 19 H ASN 19 -13.899 4.491 -6.095 148 HA ASN 19 HA ASN 19 -14.271 4.976 -3.227 149 HB2 ASN 19 HB2 ASN 19 -16.595 4.586 -3.528 150 HB3 ASN 19 HB3 ASN 19 -16.092 5.618 -4.856 151 HD21 ASN 19 HD21 ASN 19 -18.359 3.749 -4.543 152 HD22 ASN 19 HD22 ASN 19 -18.251 2.672 -5.927 153 H ARG 20 H ARG 20 -12.780 2.794 -4.986 154 HA ARG 20 HA ARG 20 -13.514 0.584 -3.210 155 HB2 ARG 20 HB2 ARG 20 -13.181 0.501 -6.191 156 HB3 ARG 20 HB3 ARG 20 -13.007 -0.942 -5.209 157 HG2 ARG 20 HG2 ARG 20 -15.276 -0.599 -4.362 158 HG3 ARG 20 HG3 ARG 20 -15.451 0.785 -5.428 159 HD2 ARG 20 HD2 ARG 20 -14.742 -0.898 -7.221 160 HD3 ARG 20 HD3 ARG 20 -15.204 -2.116 -6.059 161 HE ARG 20 HE ARG 20 -17.362 -0.484 -6.138 162 HH11 ARG 20 HH11 ARG 20 -15.541 -2.176 -8.598 163 HH12 ARG 20 HH12 ARG 20 -16.902 -2.380 -9.654 164 HH21 ARG 20 HH21 ARG 20 -19.169 -0.762 -7.528 165 HH22 ARG 20 HH22 ARG 20 -18.962 -1.588 -9.038 166 H GLY 21 H GLY 21 -11.876 -0.244 -2.173 167 HA2 GLY 21 HA2 GLY 21 -9.413 -1.045 -2.779 168 HA3 GLY 21 HA3 GLY 21 -9.162 0.691 -2.694 169 H ILE 22 H ILE 22 -7.760 0.293 -0.717 170 HA ILE 22 HA ILE 22 -9.448 -0.391 1.583 171 HB ILE 22 HB ILE 22 -7.776 -1.609 2.575 172 HG12 ILE 22 HG12 ILE 22 -5.827 -0.095 0.873 173 HG13 ILE 22 HG13 ILE 22 -6.151 0.169 2.545 174 HG21 ILE 22 HG21 ILE 22 -6.558 -2.957 0.811 175 HG22 ILE 22 HG22 ILE 22 -7.342 -1.921 -0.384 176 HG23 ILE 22 HG23 ILE 22 -8.318 -2.920 0.691 177 HD11 ILE 22 HD11 ILE 22 -4.964 -2.330 1.397 178 HD12 ILE 22 HD12 ILE 22 -5.255 -2.006 3.108 179 HD13 ILE 22 HD13 ILE 22 -4.072 -1.048 2.216 180 H HIS 23 H HIS 23 -8.043 0.320 3.586 181 HA HIS 23 HA HIS 23 -6.892 2.924 3.356 182 HB2 HIS 23 HB2 HIS 23 -8.571 4.121 4.695 183 HB3 HIS 23 HB3 HIS 23 -9.263 3.551 3.195 184 HD1 HIS 23 HD1 HIS 23 -9.740 3.504 6.824 185 HD2 HIS 23 HD2 HIS 23 -10.967 1.297 3.545 186 HE1 HIS 23 HE1 HIS 23 -11.709 2.163 7.625 187 HE2 HIS 23 HE2 HIS 23 -12.430 0.802 5.629 188 H LEU 24 H LEU 24 -5.281 2.857 4.758 189 HA LEU 24 HA LEU 24 -5.332 0.941 6.905 190 HB2 LEU 24 HB2 LEU 24 -3.231 2.807 5.835 191 HB3 LEU 24 HB3 LEU 24 -2.978 1.744 7.168 192 HG LEU 24 HG LEU 24 -3.618 0.857 4.371 193 HD11 LEU 24 HD11 LEU 24 -1.066 0.695 5.967 194 HD12 LEU 24 HD12 LEU 24 -1.360 1.743 4.581 195 HD13 LEU 24 HD13 LEU 24 -1.329 -0.006 4.373 196 HD21 LEU 24 HD21 LEU 24 -3.003 -0.723 6.863 197 HD22 LEU 24 HD22 LEU 24 -3.119 -1.395 5.236 198 HD23 LEU 24 HD23 LEU 24 -4.541 -0.682 5.997 199 H TYR 25 H TYR 25 -4.324 4.302 6.645 200 HA TYR 25 HA TYR 25 -5.129 4.730 9.399 201 HB2 TYR 25 HB2 TYR 25 -3.469 6.428 7.578 202 HB3 TYR 25 HB3 TYR 25 -3.837 6.834 9.239 203 HD1 TYR 25 HD1 TYR 25 -3.238 3.337 8.542 204 HD2 TYR 25 HD2 TYR 25 -1.342 6.999 9.558 205 HE1 TYR 25 HE1 TYR 25 -1.260 2.091 9.251 206 HE2 TYR 25 HE2 TYR 25 0.644 5.763 10.297 207 HH TYR 25 HH TYR 25 1.318 3.597 11.004 208 H THR 26 H THR 26 -4.998 7.581 7.633 209 HA THR 26 HA THR 26 -7.898 7.551 7.174 210 HB THR 26 HB THR 26 -7.208 9.423 8.531 211 HG1 THR 26 HG1 THR 26 -8.032 9.921 5.902 212 HG21 THR 26 HG21 THR 26 -5.276 10.129 6.326 213 HG22 THR 26 HG22 THR 26 -4.844 9.447 7.894 214 HG23 THR 26 HG23 THR 26 -5.561 11.058 7.799 215 H LYS 27 H LYS 27 -5.325 6.596 5.604 216 HA LYS 27 HA LYS 27 -5.633 8.160 3.160 217 HB2 LYS 27 HB2 LYS 27 -3.797 5.992 2.857 218 HB3 LYS 27 HB3 LYS 27 -3.484 7.719 2.812 219 HG2 LYS 27 HG2 LYS 27 -3.630 6.083 5.324 220 HG3 LYS 27 HG3 LYS 27 -2.158 6.487 4.459 221 HD2 LYS 27 HD2 LYS 27 -4.096 8.515 5.521 222 HD3 LYS 27 HD3 LYS 27 -2.656 7.986 6.381 223 HE2 LYS 27 HE2 LYS 27 -1.759 8.645 3.832 224 HE3 LYS 27 HE3 LYS 27 -2.950 9.888 4.217 225 HZ1 LYS 27 HZ1 LYS 27 -0.647 9.126 5.944 226 HZ2 LYS 27 HZ2 LYS 27 -1.743 10.376 6.247 227 HZ3 LYS 27 HZ3 LYS 27 -0.680 10.483 4.932 228 H PHE 28 H PHE 28 -5.093 6.652 1.199 229 HA PHE 28 HA PHE 28 -6.765 4.283 1.200 230 HB2 PHE 28 HB2 PHE 28 -8.346 6.075 0.781 231 HB3 PHE 28 HB3 PHE 28 -7.326 6.727 -0.493 232 HD1 PHE 28 HD1 PHE 28 -9.491 3.866 0.410 233 HD2 PHE 28 HD2 PHE 28 -7.366 5.886 -2.662 234 HE1 PHE 28 HE1 PHE 28 -10.594 2.457 -1.286 235 HE2 PHE 28 HE2 PHE 28 -8.457 4.492 -4.353 236 HZ PHE 28 HZ PHE 28 -10.063 2.758 -3.682 237 H ILE 29 H ILE 29 -5.365 2.846 0.335 238 HA ILE 29 HA ILE 29 -4.082 3.583 -2.203 239 HB ILE 29 HB ILE 29 -3.938 0.914 -0.766 240 HG12 ILE 29 HG12 ILE 29 -1.398 1.717 -0.679 241 HG13 ILE 29 HG13 ILE 29 -2.140 3.307 -0.687 242 HG21 ILE 29 HG21 ILE 29 -2.460 1.956 -3.174 243 HG22 ILE 29 HG22 ILE 29 -3.748 0.746 -3.189 244 HG23 ILE 29 HG23 ILE 29 -2.197 0.391 -2.408 245 HD11 ILE 29 HD11 ILE 29 -3.239 2.920 1.349 246 HD12 ILE 29 HD12 ILE 29 -1.600 2.293 1.566 247 HD13 ILE 29 HD13 ILE 29 -2.938 1.184 1.266 248 H CYS 30 H CYS 30 -5.185 3.158 -4.053 249 HA CYS 30 HA CYS 30 -7.773 1.982 -3.833 250 HB2 CYS 30 HB2 CYS 30 -8.104 2.476 -6.078 251 HB3 CYS 30 HB3 CYS 30 -6.944 3.702 -5.596 252 H LEU 31 H LEU 31 -8.482 0.174 -4.876 253 HA LEU 31 HA LEU 31 -7.327 -2.089 -3.927 254 HB2 LEU 31 HB2 LEU 31 -9.128 -3.171 -4.871 255 HB3 LEU 31 HB3 LEU 31 -9.712 -1.564 -4.627 256 HG LEU 31 HG LEU 31 -8.911 -1.312 -7.160 257 HD11 LEU 31 HD11 LEU 31 -9.456 -3.297 -8.440 258 HD12 LEU 31 HD12 LEU 31 -9.755 -4.197 -6.955 259 HD13 LEU 31 HD13 LEU 31 -8.129 -3.626 -7.327 260 HD21 LEU 31 HD21 LEU 31 -11.124 -0.795 -6.303 261 HD22 LEU 31 HD22 LEU 31 -11.529 -2.510 -6.278 262 HD23 LEU 31 HD23 LEU 31 -11.232 -1.698 -7.813 263 H ASP 32 H ASP 32 -6.517 -0.443 -6.746 264 HA ASP 32 HA ASP 32 -5.628 -2.703 -8.309 265 HB2 ASP 32 HB2 ASP 32 -6.579 -0.677 -9.333 266 HB3 ASP 32 HB3 ASP 32 -5.254 0.237 -8.677 267 H CYS 33 H CYS 33 -4.329 0.049 -6.724 268 HA CYS 33 HA CYS 33 -1.604 -0.602 -7.016 269 HB2 CYS 33 HB2 CYS 33 -2.902 1.438 -5.231 270 HB3 CYS 33 HB3 CYS 33 -1.195 1.267 -5.507 271 H GLU 34 H GLU 34 -4.033 -1.021 -4.643 272 HA GLU 34 HA GLU 34 -2.505 -1.737 -2.455 273 HB2 GLU 34 HB2 GLU 34 -4.861 -1.225 -2.299 274 HB3 GLU 34 HB3 GLU 34 -5.263 -2.584 -3.300 275 HG2 GLU 34 HG2 GLU 34 -3.837 -3.189 -0.824 276 HG3 GLU 34 HG3 GLU 34 -5.480 -2.626 -0.670 277 H ARG 35 H ARG 35 -3.778 -3.692 -5.078 278 HA ARG 35 HA ARG 35 -2.443 -6.023 -4.081 279 HB2 ARG 35 HB2 ARG 35 -3.070 -7.173 -6.117 280 HB3 ARG 35 HB3 ARG 35 -4.447 -6.301 -5.470 281 HG2 ARG 35 HG2 ARG 35 -4.069 -4.531 -7.135 282 HG3 ARG 35 HG3 ARG 35 -2.750 -5.479 -7.800 283 HD2 ARG 35 HD2 ARG 35 -5.613 -6.280 -7.652 284 HD3 ARG 35 HD3 ARG 35 -4.742 -5.823 -9.104 285 HE ARG 35 HE ARG 35 -3.363 -7.948 -7.997 286 HH11 ARG 35 HH11 ARG 35 -6.553 -7.369 -9.309 287 HH12 ARG 35 HH12 ARG 35 -6.782 -9.013 -9.817 288 HH21 ARG 35 HH21 ARG 35 -3.662 -10.116 -8.670 289 HH22 ARG 35 HH22 ARG 35 -5.135 -10.571 -9.469 290 H LYS 36 H LYS 36 -1.484 -3.371 -5.962 291 HA LYS 36 HA LYS 36 0.510 -4.556 -7.561 292 HB2 LYS 36 HB2 LYS 36 0.301 -1.768 -6.540 293 HB3 LYS 36 HB3 LYS 36 1.463 -2.288 -7.728 294 HG2 LYS 36 HG2 LYS 36 -0.546 -2.907 -9.138 295 HG3 LYS 36 HG3 LYS 36 -1.500 -2.055 -8.001 296 HD2 LYS 36 HD2 LYS 36 -0.487 -0.092 -8.531 297 HD3 LYS 36 HD3 LYS 36 0.870 -0.837 -9.327 298 HE2 LYS 36 HE2 LYS 36 -0.624 -1.581 -11.111 299 HE3 LYS 36 HE3 LYS 36 -1.986 -0.820 -10.294 300 HZ1 LYS 36 HZ1 LYS 36 -1.132 0.560 -12.076 301 HZ2 LYS 36 HZ2 LYS 36 0.395 0.592 -11.361 302 HZ3 LYS 36 HZ3 LYS 36 -0.914 1.328 -10.583 303 H VAL 37 H VAL 37 0.360 -3.108 -4.436 304 HA VAL 37 HA VAL 37 3.038 -2.937 -3.843 305 HB VAL 37 HB VAL 37 2.406 -2.950 -1.487 306 HG11 VAL 37 HG11 VAL 37 2.088 -0.917 -2.963 307 HG12 VAL 37 HG12 VAL 37 1.146 -0.942 -1.473 308 HG13 VAL 37 HG13 VAL 37 0.372 -1.345 -3.010 309 HG21 VAL 37 HG21 VAL 37 -0.122 -2.981 -1.053 310 HG22 VAL 37 HG22 VAL 37 0.772 -4.496 -1.172 311 HG23 VAL 37 HG23 VAL 37 -0.188 -3.927 -2.546 312 H ILE 38 H ILE 38 0.790 -5.512 -3.172 313 HA ILE 38 HA ILE 38 2.432 -7.255 -1.738 314 HB ILE 38 HB ILE 38 0.303 -8.248 -3.607 315 HG12 ILE 38 HG12 ILE 38 -0.106 -6.617 -1.126 316 HG13 ILE 38 HG13 ILE 38 -0.816 -6.387 -2.703 317 HG21 ILE 38 HG21 ILE 38 1.423 -9.950 -2.404 318 HG22 ILE 38 HG22 ILE 38 -0.165 -9.752 -1.662 319 HG23 ILE 38 HG23 ILE 38 1.263 -9.070 -0.888 320 HD11 ILE 38 HD11 ILE 38 -1.440 -8.840 -1.127 321 HD12 ILE 38 HD12 ILE 38 -2.378 -8.060 -2.402 322 HD13 ILE 38 HD13 ILE 38 -2.274 -7.324 -0.799 323 H SER 39 H SER 39 1.865 -6.638 -5.072 324 HA SER 39 HA SER 39 3.173 -8.939 -5.986 325 HB2 SER 39 HB2 SER 39 2.372 -6.433 -7.459 326 HB3 SER 39 HB3 SER 39 2.800 -7.964 -8.189 327 HG SER 39 HG SER 39 0.556 -7.396 -6.565 328 H THR 40 H THR 40 4.074 -5.749 -5.164 329 HA THR 40 HA THR 40 6.538 -5.678 -6.652 330 HB THR 40 HB THR 40 5.430 -3.833 -4.529 331 HG1 THR 40 HG1 THR 40 4.208 -3.983 -6.514 332 HG21 THR 40 HG21 THR 40 7.882 -3.656 -4.766 333 HG22 THR 40 HG22 THR 40 7.039 -2.202 -5.300 334 HG23 THR 40 HG23 THR 40 7.673 -3.340 -6.490 335 H SER 41 H SER 41 5.578 -6.088 -3.256 336 HA SER 41 HA SER 41 8.287 -5.912 -2.323 337 HB2 SER 41 HB2 SER 41 7.223 -6.442 -0.110 338 HB3 SER 41 HB3 SER 41 6.564 -5.027 -0.929 339 HG SER 41 HG SER 41 4.843 -6.239 -0.225 340 H THR 42 H THR 42 6.271 -8.493 -3.377 341 HA THR 42 HA THR 42 7.445 -10.502 -1.701 342 HB THR 42 HB THR 42 6.179 -12.077 -3.251 343 HG1 THR 42 HG1 THR 42 4.611 -9.968 -4.120 344 HG21 THR 42 HG21 THR 42 4.663 -9.874 -1.838 345 HG22 THR 42 HG22 THR 42 5.312 -11.333 -1.085 346 HG23 THR 42 HG23 THR 42 4.014 -11.457 -2.270 347 H SER 43 H SER 43 9.436 -9.152 -3.019 348 HA SER 43 HA SER 43 10.931 -11.329 -4.073 349 HB2 SER 43 HB2 SER 43 9.585 -10.577 -6.092 350 HB3 SER 43 HB3 SER 43 10.423 -9.030 -5.986 351 HG SER 43 HG SER 43 11.658 -11.567 -6.328 352 H ASP 44 H ASP 44 10.840 -9.208 -1.999 353 HA ASP 44 HA ASP 44 13.326 -7.757 -2.636 354 HB2 ASP 44 HB2 ASP 44 11.482 -6.192 -2.507 355 HB3 ASP 44 HB3 ASP 44 10.968 -6.864 -0.966 356 HA PRO 45 HA PRO 45 14.545 -10.149 1.012 357 HB2 PRO 45 HB2 PRO 45 17.220 -9.984 0.013 358 HB3 PRO 45 HB3 PRO 45 16.198 -11.388 0.096 359 HG2 PRO 45 HG2 PRO 45 17.057 -10.138 -2.185 360 HG3 PRO 45 HG3 PRO 45 15.678 -11.187 -2.032 361 HD2 PRO 45 HD2 PRO 45 15.763 -8.253 -2.177 362 HD3 PRO 45 HD3 PRO 45 14.549 -9.361 -2.831 363 H ASP 46 H ASP 46 16.369 -9.674 2.624 364 HA ASP 46 HA ASP 46 16.222 -6.915 3.333 365 HB2 ASP 46 HB2 ASP 46 17.762 -9.237 4.495 366 HB3 ASP 46 HB3 ASP 46 17.848 -7.611 5.162 367 H TYR 47 H TYR 47 19.110 -8.931 2.881 368 HA TYR 47 HA TYR 47 20.427 -6.655 1.572 369 HB2 TYR 47 HB2 TYR 47 21.666 -8.688 3.405 370 HB3 TYR 47 HB3 TYR 47 22.526 -7.403 2.587 371 HD1 TYR 47 HD1 TYR 47 20.465 -8.297 5.424 372 HD2 TYR 47 HD2 TYR 47 22.150 -5.038 3.270 373 HE1 TYR 47 HE1 TYR 47 20.059 -6.824 7.346 374 HE2 TYR 47 HE2 TYR 47 21.746 -3.556 5.190 375 HH TYR 47 HH TYR 47 20.337 -3.417 7.144 376 H ALA 48 H ALA 48 18.923 -8.886 0.467 377 HA ALA 48 HA ALA 48 18.983 -10.501 -1.115 378 HB1 ALA 48 HB1 ALA 48 20.708 -10.375 -2.825 379 HB2 ALA 48 HB2 ALA 48 21.681 -9.332 -1.791 380 HB3 ALA 48 HB3 ALA 48 20.134 -8.759 -2.410 381 H1 SER 0 H1 SER 0 -3.979 15.025 -4.593 382 H2 SER 0 H2 SER 0 -4.187 14.118 -3.185 383 H3 SER 0 H3 SER 0 -3.350 13.454 -4.503 384 HA SER 0 HA SER 0 -2.494 15.724 -2.806 385 HB2 SER 0 HB2 SER 0 -2.225 13.506 -1.769 386 HB3 SER 0 HB3 SER 0 -1.360 12.938 -3.195 387 HG SER 0 HG SER 0 -0.479 15.167 -1.689 388 H MET 1 H MET 1 -2.087 13.863 -5.727 389 HA MET 1 HA MET 1 -1.077 14.296 -7.691 390 HB2 MET 1 HB2 MET 1 -2.022 16.594 -7.355 391 HB3 MET 1 HB3 MET 1 -0.490 17.062 -6.634 392 HG2 MET 1 HG2 MET 1 0.652 16.542 -8.735 393 HG3 MET 1 HG3 MET 1 -0.892 16.092 -9.455 394 HE1 MET 1 HE1 MET 1 -0.257 19.062 -6.937 395 HE2 MET 1 HE2 MET 1 0.124 20.373 -8.053 396 HE3 MET 1 HE3 MET 1 1.223 19.003 -7.894 397 H ASP 2 H ASP 2 0.304 12.781 -6.301 398 HA ASP 2 HA ASP 2 2.310 11.989 -5.617 399 HB2 ASP 2 HB2 ASP 2 4.082 12.160 -7.379 400 HB3 ASP 2 HB3 ASP 2 2.523 11.569 -7.922 401 H GLU 3 H GLU 3 2.811 12.959 -3.734 402 HA GLU 3 HA GLU 3 4.359 15.350 -3.566 403 HB2 GLU 3 HB2 GLU 3 3.689 13.167 -1.618 404 HB3 GLU 3 HB3 GLU 3 4.768 14.493 -1.198 405 HG2 GLU 3 HG2 GLU 3 1.951 14.839 -2.189 406 HG3 GLU 3 HG3 GLU 3 2.433 14.843 -0.499 407 H THR 4 H THR 4 6.571 15.563 -3.167 408 HA THR 4 HA THR 4 8.197 13.460 -4.305 409 HB THR 4 HB THR 4 10.060 15.161 -3.905 410 HG1 THR 4 HG1 THR 4 8.618 16.307 -2.299 411 HG21 THR 4 HG21 THR 4 9.010 14.863 -6.087 412 HG22 THR 4 HG22 THR 4 9.345 16.569 -5.791 413 HG23 THR 4 HG23 THR 4 7.701 15.952 -5.621 414 H VAL 5 H VAL 5 9.684 12.224 -3.278 415 HA VAL 5 HA VAL 5 9.846 12.477 -0.352 416 HB VAL 5 HB VAL 5 10.240 10.025 -0.293 417 HG11 VAL 5 HG11 VAL 5 7.904 9.380 -0.676 418 HG12 VAL 5 HG12 VAL 5 7.639 10.888 -1.549 419 HG13 VAL 5 HG13 VAL 5 8.023 10.924 0.170 420 HG21 VAL 5 HG21 VAL 5 9.678 8.685 -2.248 421 HG22 VAL 5 HG22 VAL 5 11.034 9.762 -2.584 422 HG23 VAL 5 HG23 VAL 5 9.425 10.158 -3.185 423 H LYS 6 H LYS 6 11.847 12.111 0.644 424 HA LYS 6 HA LYS 6 14.112 12.613 -1.138 425 HB2 LYS 6 HB2 LYS 6 13.593 13.281 1.721 426 HB3 LYS 6 HB3 LYS 6 15.215 13.338 1.077 427 HG2 LYS 6 HG2 LYS 6 14.335 15.534 1.014 428 HG3 LYS 6 HG3 LYS 6 14.374 14.929 -0.635 429 HD2 LYS 6 HD2 LYS 6 11.962 14.344 -0.410 430 HD3 LYS 6 HD3 LYS 6 11.972 15.140 1.160 431 HE2 LYS 6 HE2 LYS 6 12.705 16.468 -1.424 432 HE3 LYS 6 HE3 LYS 6 11.114 16.560 -0.681 433 HZ1 LYS 6 HZ1 LYS 6 12.451 18.499 -0.161 434 HZ2 LYS 6 HZ2 LYS 6 13.650 17.529 0.526 435 HZ3 LYS 6 HZ3 LYS 6 12.122 17.618 1.242 436 H LEU 7 H LEU 7 16.126 11.984 0.853 437 HA LEU 7 HA LEU 7 16.891 9.523 -0.015 438 HB2 LEU 7 HB2 LEU 7 18.487 9.413 1.813 439 HB3 LEU 7 HB3 LEU 7 18.434 11.005 1.106 440 HG LEU 7 HG LEU 7 16.941 10.377 3.638 441 HD11 LEU 7 HD11 LEU 7 19.808 11.271 3.369 442 HD12 LEU 7 HD12 LEU 7 19.254 9.727 4.017 443 HD13 LEU 7 HD13 LEU 7 18.884 11.225 4.870 444 HD21 LEU 7 HD21 LEU 7 16.360 12.440 2.539 445 HD22 LEU 7 HD22 LEU 7 18.059 12.881 2.406 446 HD23 LEU 7 HD23 LEU 7 17.294 12.797 3.991 447 H ASN 8 H ASN 8 15.405 10.016 3.230 448 HA ASN 8 HA ASN 8 14.562 7.216 3.194 449 HB2 ASN 8 HB2 ASN 8 13.952 9.429 5.178 450 HB3 ASN 8 HB3 ASN 8 13.382 7.789 5.327 451 HD21 ASN 8 HD21 ASN 8 14.380 7.549 7.293 452 HD22 ASN 8 HD22 ASN 8 16.091 7.347 7.450 453 H HIS 9 H HIS 9 13.038 6.937 1.671 454 HA HIS 9 HA HIS 9 11.288 8.922 0.773 455 HB2 HIS 9 HB2 HIS 9 10.959 5.931 0.644 456 HB3 HIS 9 HB3 HIS 9 9.985 7.080 -0.247 457 HD1 HIS 9 HD1 HIS 9 10.673 6.631 -2.606 458 HD2 HIS 9 HD2 HIS 9 13.935 7.100 -0.077 459 HE1 HIS 9 HE1 HIS 9 12.688 6.669 -4.101 460 HE2 HIS 9 HE2 HIS 9 14.626 7.124 -2.565 461 H THR 10 H THR 10 9.336 9.559 1.425 462 HA THR 10 HA THR 10 8.661 8.854 4.145 463 HB THR 10 HB THR 10 7.381 10.909 2.316 464 HG1 THR 10 HG1 THR 10 8.880 11.941 4.298 465 HG21 THR 10 HG21 THR 10 6.597 11.929 4.436 466 HG22 THR 10 HG22 THR 10 7.232 10.538 5.314 467 HG23 THR 10 HG23 THR 10 5.913 10.328 4.163 468 H CYS 11 H CYS 11 6.955 7.739 4.793 469 HA CYS 11 HA CYS 11 5.607 6.082 2.917 470 HB2 CYS 11 HB2 CYS 11 6.155 5.602 5.359 471 HB3 CYS 11 HB3 CYS 11 4.786 6.618 5.760 472 H VAL 12 H VAL 12 3.914 6.577 1.714 473 HA VAL 12 HA VAL 12 2.299 8.852 1.953 474 HB VAL 12 HB VAL 12 0.638 7.602 0.573 475 HG11 VAL 12 HG11 VAL 12 2.097 7.310 -1.399 476 HG12 VAL 12 HG12 VAL 12 3.501 7.507 -0.350 477 HG13 VAL 12 HG13 VAL 12 2.357 8.836 -0.555 478 HG21 VAL 12 HG21 VAL 12 0.968 5.373 1.456 479 HG22 VAL 12 HG22 VAL 12 2.619 5.345 0.834 480 HG23 VAL 12 HG23 VAL 12 1.255 5.382 -0.283 481 H ILE 13 H ILE 13 2.376 5.988 3.807 482 HA ILE 13 HA ILE 13 -0.410 6.165 4.579 483 HB ILE 13 HB ILE 13 1.616 4.260 5.685 484 HG12 ILE 13 HG12 ILE 13 1.595 4.097 3.226 485 HG13 ILE 13 HG13 ILE 13 0.934 2.661 3.994 486 HG21 ILE 13 HG21 ILE 13 -0.336 2.881 6.140 487 HG22 ILE 13 HG22 ILE 13 -1.376 4.121 5.440 488 HG23 ILE 13 HG23 ILE 13 -0.469 4.458 6.915 489 HD11 ILE 13 HD11 ILE 13 -0.312 3.417 2.038 490 HD12 ILE 13 HD12 ILE 13 -0.701 4.901 2.903 491 HD13 ILE 13 HD13 ILE 13 -1.276 3.349 3.515 492 H CYS 14 H CYS 14 2.659 5.936 6.384 493 HA CYS 14 HA CYS 14 1.289 7.180 8.602 494 HB2 CYS 14 HB2 CYS 14 3.102 6.270 9.993 495 HB3 CYS 14 HB3 CYS 14 2.222 5.037 9.128 496 H ASP 15 H ASP 15 2.966 8.215 6.118 497 HA ASP 15 HA ASP 15 4.157 10.055 5.588 498 HB2 ASP 15 HB2 ASP 15 2.542 10.894 7.899 499 HB3 ASP 15 HB3 ASP 15 3.757 12.007 7.307 500 H GLN 16 H GLN 16 5.569 8.108 7.147 501 HA GLN 16 HA GLN 16 7.445 9.787 8.613 502 HB2 GLN 16 HB2 GLN 16 6.991 6.806 8.671 503 HB3 GLN 16 HB3 GLN 16 8.232 7.645 9.585 504 HG2 GLN 16 HG2 GLN 16 5.283 8.001 9.866 505 HG3 GLN 16 HG3 GLN 16 6.329 7.154 10.962 506 HE21 GLN 16 HE21 GLN 16 5.199 10.166 9.925 507 HE22 GLN 16 HE22 GLN 16 5.957 11.074 11.161 508 H GLU 17 H GLU 17 9.594 9.648 8.172 509 HA GLU 17 HA GLU 17 10.265 9.138 5.423 510 HB2 GLU 17 HB2 GLU 17 11.888 10.312 7.685 511 HB3 GLU 17 HB3 GLU 17 12.409 10.227 6.009 512 HG2 GLU 17 HG2 GLU 17 10.840 11.780 5.316 513 HG3 GLU 17 HG3 GLU 17 9.863 11.573 6.762 514 H LYS 18 H LYS 18 10.633 7.142 4.964 515 HA LYS 18 HA LYS 18 12.277 5.478 6.756 516 HB2 LYS 18 HB2 LYS 18 10.398 4.190 4.923 517 HB3 LYS 18 HB3 LYS 18 10.899 3.697 6.509 518 HG2 LYS 18 HG2 LYS 18 8.901 5.831 5.863 519 HG3 LYS 18 HG3 LYS 18 8.552 4.223 6.489 520 HD2 LYS 18 HD2 LYS 18 10.333 6.075 7.981 521 HD3 LYS 18 HD3 LYS 18 8.606 6.237 8.086 522 HE2 LYS 18 HE2 LYS 18 9.236 4.935 9.922 523 HE3 LYS 18 HE3 LYS 18 8.557 3.842 8.740 524 HZ1 LYS 18 HZ1 LYS 18 10.758 3.156 8.100 525 HZ2 LYS 18 HZ2 LYS 18 10.565 2.963 9.766 526 HZ3 LYS 18 HZ3 LYS 18 11.450 4.272 9.166 527 H ASN 19 H ASN 19 13.894 4.264 5.832 528 HA ASN 19 HA ASN 19 14.277 4.735 2.962 529 HB2 ASN 19 HB2 ASN 19 16.594 4.311 3.264 530 HB3 ASN 19 HB3 ASN 19 16.110 5.350 4.591 531 HD21 ASN 19 HD21 ASN 19 18.347 3.445 4.280 532 HD22 ASN 19 HD22 ASN 19 18.219 2.372 5.666 533 H ARG 20 H ARG 20 12.752 2.585 4.742 534 HA ARG 20 HA ARG 20 13.440 0.360 2.964 535 HB2 ARG 20 HB2 ARG 20 13.106 0.289 5.945 536 HB3 ARG 20 HB3 ARG 20 12.908 -1.153 4.968 537 HG2 ARG 20 HG2 ARG 20 15.184 -0.851 4.118 538 HG3 ARG 20 HG3 ARG 20 15.383 0.534 5.178 539 HD2 ARG 20 HD2 ARG 20 14.642 -1.125 6.978 540 HD3 ARG 20 HD3 ARG 20 15.082 -2.359 5.823 541 HE ARG 20 HE ARG 20 17.272 -0.762 5.904 542 HH11 ARG 20 HH11 ARG 20 15.412 -2.412 8.362 543 HH12 ARG 20 HH12 ARG 20 16.771 -2.656 9.412 544 HH21 ARG 20 HH21 ARG 20 19.067 -1.080 7.284 545 HH22 ARG 20 HH22 ARG 20 18.848 -1.892 8.802 546 H GLY 21 H GLY 21 11.785 -0.444 1.926 547 HA2 GLY 21 HA2 GLY 21 9.310 -1.198 2.541 548 HA3 GLY 21 HA3 GLY 21 9.094 0.541 2.452 549 H ILE 22 H ILE 22 7.679 0.164 0.472 550 HA ILE 22 HA ILE 22 9.356 -0.556 -1.824 551 HB ILE 22 HB ILE 22 7.662 -1.747 -2.814 552 HG12 ILE 22 HG12 ILE 22 5.741 -0.197 -1.117 553 HG13 ILE 22 HG13 ILE 22 6.067 0.057 -2.789 554 HG21 ILE 22 HG21 ILE 22 6.425 -3.071 -1.046 555 HG22 ILE 22 HG22 ILE 22 7.225 -2.045 0.145 556 HG23 ILE 22 HG23 ILE 22 8.187 -3.063 -0.930 557 HD11 ILE 22 HD11 ILE 22 4.841 -2.417 -1.633 558 HD12 ILE 22 HD12 ILE 22 5.138 -2.104 -3.345 559 HD13 ILE 22 HD13 ILE 22 3.971 -1.124 -2.456 560 H HIS 23 H HIS 23 7.963 0.173 -3.829 561 HA HIS 23 HA HIS 23 6.856 2.799 -3.609 562 HB2 HIS 23 HB2 HIS 23 8.558 3.959 -4.950 563 HB3 HIS 23 HB3 HIS 23 9.240 3.381 -3.451 564 HD1 HIS 23 HD1 HIS 23 9.701 3.300 -7.083 565 HD2 HIS 23 HD2 HIS 23 10.903 1.099 -3.797 566 HE1 HIS 23 HE1 HIS 23 11.656 1.936 -7.876 567 HE2 HIS 23 HE2 HIS 23 12.346 0.565 -5.880 568 H LEU 24 H LEU 24 5.247 2.753 -5.013 569 HA LEU 24 HA LEU 24 5.263 0.828 -7.155 570 HB2 LEU 24 HB2 LEU 24 3.199 2.736 -6.086 571 HB3 LEU 24 HB3 LEU 24 2.921 1.675 -7.414 572 HG LEU 24 HG LEU 24 3.549 0.784 -4.615 573 HD11 LEU 24 HD11 LEU 24 0.996 0.657 -6.213 574 HD12 LEU 24 HD12 LEU 24 1.304 1.707 -4.831 575 HD13 LEU 24 HD13 LEU 24 1.247 -0.040 -4.613 576 HD21 LEU 24 HD21 LEU 24 2.905 -0.793 -7.102 577 HD22 LEU 24 HD22 LEU 24 3.008 -1.462 -5.473 578 HD23 LEU 24 HD23 LEU 24 4.443 -0.778 -6.236 579 H TYR 25 H TYR 25 4.322 4.209 -6.899 580 HA TYR 25 HA TYR 25 5.127 4.614 -9.656 581 HB2 TYR 25 HB2 TYR 25 3.499 6.343 -7.838 582 HB3 TYR 25 HB3 TYR 25 3.873 6.742 -9.500 583 HD1 TYR 25 HD1 TYR 25 3.212 3.255 -8.794 584 HD2 TYR 25 HD2 TYR 25 1.378 6.946 -9.821 585 HE1 TYR 25 HE1 TYR 25 1.212 2.041 -9.502 586 HE2 TYR 25 HE2 TYR 25 -0.627 5.744 -10.558 587 HH TYR 25 HH TYR 25 -1.340 3.600 -11.255 588 H THR 26 H THR 26 5.046 7.470 -7.894 589 HA THR 26 HA THR 26 7.948 7.393 -7.440 590 HB THR 26 HB THR 26 7.290 9.271 -8.804 591 HG1 THR 26 HG1 THR 26 8.131 9.755 -6.180 592 HG21 THR 26 HG21 THR 26 5.369 10.020 -6.604 593 HG22 THR 26 HG22 THR 26 4.930 9.338 -8.171 594 HG23 THR 26 HG23 THR 26 5.672 10.936 -8.080 595 H LYS 27 H LYS 27 5.358 6.487 -5.867 596 HA LYS 27 HA LYS 27 5.694 8.054 -3.429 597 HB2 LYS 27 HB2 LYS 27 3.821 5.920 -3.119 598 HB3 LYS 27 HB3 LYS 27 3.537 7.653 -3.079 599 HG2 LYS 27 HG2 LYS 27 3.652 6.006 -5.586 600 HG3 LYS 27 HG3 LYS 27 2.187 6.443 -4.720 601 HD2 LYS 27 HD2 LYS 27 4.162 8.429 -5.792 602 HD3 LYS 27 HD3 LYS 27 2.712 7.920 -6.646 603 HE2 LYS 27 HE2 LYS 27 1.826 8.608 -4.103 604 HE3 LYS 27 HE3 LYS 27 3.040 9.826 -4.492 605 HZ1 LYS 27 HZ1 LYS 27 0.727 9.101 -6.220 606 HZ2 LYS 27 HZ2 LYS 27 1.846 10.331 -6.525 607 HZ3 LYS 27 HZ3 LYS 27 0.782 10.460 -5.215 608 H PHE 28 H PHE 28 5.127 6.561 -1.462 609 HA PHE 28 HA PHE 28 6.757 4.163 -1.457 610 HB2 PHE 28 HB2 PHE 28 8.370 5.926 -1.045 611 HB3 PHE 28 HB3 PHE 28 7.363 6.602 0.225 612 HD1 PHE 28 HD1 PHE 28 9.474 3.700 -0.666 613 HD2 PHE 28 HD2 PHE 28 7.389 5.772 2.400 614 HE1 PHE 28 HE1 PHE 28 10.554 2.276 1.034 615 HE2 PHE 28 HE2 PHE 28 8.455 4.363 4.095 616 HZ PHE 28 HZ PHE 28 10.030 2.597 3.431 617 H ILE 29 H ILE 29 5.332 2.755 -0.587 618 HA ILE 29 HA ILE 29 4.064 3.524 1.949 619 HB ILE 29 HB ILE 29 3.872 0.853 0.521 620 HG12 ILE 29 HG12 ILE 29 1.346 1.697 0.431 621 HG13 ILE 29 HG13 ILE 29 2.116 3.276 0.435 622 HG21 ILE 29 HG21 ILE 29 2.413 1.927 2.926 623 HG22 ILE 29 HG22 ILE 29 3.680 0.694 2.943 624 HG23 ILE 29 HG23 ILE 29 2.125 0.364 2.164 625 HD11 ILE 29 HD11 ILE 29 3.209 2.863 -1.599 626 HD12 ILE 29 HD12 ILE 29 1.559 2.267 -1.816 627 HD13 ILE 29 HD13 ILE 29 2.876 1.134 -1.513 628 H CYS 30 H CYS 30 5.160 3.085 3.799 629 HA CYS 30 HA CYS 30 7.724 1.860 3.586 630 HB2 CYS 30 HB2 CYS 30 8.066 2.356 5.828 631 HB3 CYS 30 HB3 CYS 30 6.930 3.601 5.343 632 H LEU 31 H LEU 31 8.401 0.046 4.628 633 HA LEU 31 HA LEU 31 7.206 -2.199 3.692 634 HB2 LEU 31 HB2 LEU 31 8.989 -3.311 4.636 635 HB3 LEU 31 HB3 LEU 31 9.602 -1.714 4.392 636 HG LEU 31 HG LEU 31 8.806 -1.442 6.925 637 HD11 LEU 31 HD11 LEU 31 9.316 -3.433 8.211 638 HD12 LEU 31 HD12 LEU 31 9.599 -4.344 6.727 639 HD13 LEU 31 HD13 LEU 31 7.982 -3.744 7.099 640 HD21 LEU 31 HD21 LEU 31 11.027 -0.969 6.061 641 HD22 LEU 31 HD22 LEU 31 11.399 -2.692 6.042 642 HD23 LEU 31 HD23 LEU 31 11.119 -1.867 7.576 643 H ASP 32 H ASP 32 6.431 -0.530 6.504 644 HA ASP 32 HA ASP 32 5.499 -2.767 8.076 645 HB2 ASP 32 HB2 ASP 32 6.489 -0.756 9.090 646 HB3 ASP 32 HB3 ASP 32 5.181 0.181 8.432 647 H CYS 33 H CYS 33 4.249 0.003 6.480 648 HA CYS 33 HA CYS 33 1.515 -0.601 6.776 649 HB2 CYS 33 HB2 CYS 33 2.846 1.411 4.984 650 HB3 CYS 33 HB3 CYS 33 1.137 1.269 5.259 651 H GLU 34 H GLU 34 3.934 -1.067 4.400 652 HA GLU 34 HA GLU 34 2.393 -1.768 2.220 653 HB2 GLU 34 HB2 GLU 34 4.756 -1.299 2.063 654 HB3 GLU 34 HB3 GLU 34 5.134 -2.663 3.066 655 HG2 GLU 34 HG2 GLU 34 3.697 -3.248 0.589 656 HG3 GLU 34 HG3 GLU 34 5.349 -2.712 0.436 657 H ARG 35 H ARG 35 3.626 -3.736 4.850 658 HA ARG 35 HA ARG 35 2.250 -6.048 3.854 659 HB2 ARG 35 HB2 ARG 35 2.856 -7.202 5.900 660 HB3 ARG 35 HB3 ARG 35 4.250 -6.361 5.247 661 HG2 ARG 35 HG2 ARG 35 3.909 -4.571 6.903 662 HG3 ARG 35 HG3 ARG 35 2.575 -5.493 7.576 663 HD2 ARG 35 HD2 ARG 35 5.424 -6.346 7.431 664 HD3 ARG 35 HD3 ARG 35 4.558 -5.869 8.879 665 HE ARG 35 HE ARG 35 3.146 -7.973 7.781 666 HH11 ARG 35 HH11 ARG 35 6.351 -7.450 9.088 667 HH12 ARG 35 HH12 ARG 35 6.548 -9.095 9.599 668 HH21 ARG 35 HH21 ARG 35 3.404 -10.142 8.462 669 HH22 ARG 35 HH22 ARG 35 4.869 -10.620 9.260 670 H LYS 36 H LYS 36 1.339 -3.374 5.731 671 HA LYS 36 HA LYS 36 -0.673 -4.517 7.332 672 HB2 LYS 36 HB2 LYS 36 -0.412 -1.734 6.306 673 HB3 LYS 36 HB3 LYS 36 -1.584 -2.230 7.494 674 HG2 LYS 36 HG2 LYS 36 0.412 -2.879 8.907 675 HG3 LYS 36 HG3 LYS 36 1.384 -2.051 7.767 676 HD2 LYS 36 HD2 LYS 36 0.407 -0.068 8.287 677 HD3 LYS 36 HD3 LYS 36 -0.966 -0.785 9.085 678 HE2 LYS 36 HE2 LYS 36 0.513 -1.554 10.871 679 HE3 LYS 36 HE3 LYS 36 1.889 -0.814 10.055 680 HZ1 LYS 36 HZ1 LYS 36 1.056 0.581 11.833 681 HZ2 LYS 36 HZ2 LYS 36 -0.474 0.634 11.119 682 HZ3 LYS 36 HZ3 LYS 36 0.848 1.349 10.340 683 H VAL 37 H VAL 37 -0.500 -3.080 4.204 684 HA VAL 37 HA VAL 37 -3.173 -2.865 3.612 685 HB VAL 37 HB VAL 37 -2.542 -2.896 1.258 686 HG11 VAL 37 HG11 VAL 37 -2.185 -0.864 2.725 687 HG12 VAL 37 HG12 VAL 37 -1.246 -0.914 1.234 688 HG13 VAL 37 HG13 VAL 37 -0.477 -1.324 2.772 689 HG21 VAL 37 HG21 VAL 37 -0.017 -2.973 0.820 690 HG22 VAL 37 HG22 VAL 37 -0.935 -4.473 0.948 691 HG23 VAL 37 HG23 VAL 37 0.035 -3.914 2.318 692 H ILE 38 H ILE 38 -0.969 -5.480 2.948 693 HA ILE 38 HA ILE 38 -2.644 -7.194 1.522 694 HB ILE 38 HB ILE 38 -0.527 -8.221 3.389 695 HG12 ILE 38 HG12 ILE 38 -0.078 -6.615 0.886 696 HG13 ILE 38 HG13 ILE 38 0.624 -6.380 2.469 697 HG21 ILE 38 HG21 ILE 38 -1.683 -9.908 2.198 698 HG22 ILE 38 HG22 ILE 38 -0.092 -9.743 1.451 699 HG23 ILE 38 HG23 ILE 38 -1.508 -9.039 0.677 700 HD11 ILE 38 HD11 ILE 38 1.207 -8.858 0.918 701 HD12 ILE 38 HD12 ILE 38 2.153 -8.087 2.192 702 HD13 ILE 38 HD13 ILE 38 2.072 -7.360 0.584 703 H SER 39 H SER 39 -2.083 -6.568 4.869 704 HA SER 39 HA SER 39 -3.416 -8.856 5.771 705 HB2 SER 39 HB2 SER 39 -2.569 -6.364 7.240 706 HB3 SER 39 HB3 SER 39 -3.018 -7.888 7.975 707 HG SER 39 HG SER 39 -0.770 -7.345 6.350 708 H THR 40 H THR 40 -4.257 -5.653 4.940 709 HA THR 40 HA THR 40 -6.719 -5.531 6.429 710 HB THR 40 HB THR 40 -5.577 -3.714 4.301 711 HG1 THR 40 HG1 THR 40 -4.354 -3.882 6.271 712 HG21 THR 40 HG21 THR 40 -8.027 -3.488 4.540 713 HG22 THR 40 HG22 THR 40 -7.157 -2.051 5.068 714 HG23 THR 40 HG23 THR 40 -7.809 -3.174 6.263 715 H SER 41 H SER 41 -5.767 -5.969 3.032 716 HA SER 41 HA SER 41 -8.472 -5.748 2.100 717 HB2 SER 41 HB2 SER 41 -7.414 -6.312 -0.111 718 HB3 SER 41 HB3 SER 41 -6.735 -4.902 0.700 719 HG SER 41 HG SER 41 -5.029 -6.133 0.014 720 H THR 42 H THR 42 -6.503 -8.360 3.166 721 HA THR 42 HA THR 42 -7.715 -10.352 1.496 722 HB THR 42 HB THR 42 -6.475 -11.948 3.046 723 HG1 THR 42 HG1 THR 42 -4.876 -9.856 3.909 724 HG21 THR 42 HG21 THR 42 -4.921 -9.779 1.625 725 HG22 THR 42 HG22 THR 42 -5.595 -11.229 0.878 726 HG23 THR 42 HG23 THR 42 -4.299 -11.371 2.065 727 H SER 43 H SER 43 -9.679 -8.963 2.814 728 HA SER 43 HA SER 43 -11.215 -11.112 3.870 729 HB2 SER 43 HB2 SER 43 -9.859 -10.382 5.887 730 HB3 SER 43 HB3 SER 43 -10.663 -8.821 5.774 731 HG SER 43 HG SER 43 -11.939 -11.331 6.149 732 H ASP 44 H ASP 44 -11.084 -8.995 1.793 733 HA ASP 44 HA ASP 44 -13.545 -7.502 2.421 734 HB2 ASP 44 HB2 ASP 44 -11.676 -5.970 2.290 735 HB3 ASP 44 HB3 ASP 44 -11.173 -6.657 0.750 736 HA PRO 45 HA PRO 45 -14.811 -9.888 -1.216 737 HB2 PRO 45 HB2 PRO 45 -17.496 -9.623 -0.226 738 HB3 PRO 45 HB3 PRO 45 -16.520 -11.070 -0.296 739 HG2 PRO 45 HG2 PRO 45 -17.298 -9.860 1.972 740 HG3 PRO 45 HG3 PRO 45 -15.904 -10.923 1.847 741 HD2 PRO 45 HD2 PRO 45 -16.005 -7.944 1.957 742 HD3 PRO 45 HD3 PRO 45 -14.803 -9.065 2.625 743 H ASP 46 H ASP 46 -16.623 -9.379 -2.827 744 HA ASP 46 HA ASP 46 -16.427 -6.626 -3.551 745 HB2 ASP 46 HB2 ASP 46 -18.012 -8.926 -4.698 746 HB3 ASP 46 HB3 ASP 46 -18.063 -7.303 -5.376 747 H TYR 47 H TYR 47 -19.348 -8.593 -3.089 748 HA TYR 47 HA TYR 47 -20.623 -6.290 -1.787 749 HB2 TYR 47 HB2 TYR 47 -21.901 -8.304 -3.614 750 HB3 TYR 47 HB3 TYR 47 -22.735 -7.002 -2.799 751 HD1 TYR 47 HD1 TYR 47 -20.693 -7.942 -5.633 752 HD2 TYR 47 HD2 TYR 47 -22.318 -4.646 -3.490 753 HE1 TYR 47 HE1 TYR 47 -20.259 -6.483 -7.563 754 HE2 TYR 47 HE2 TYR 47 -21.888 -3.176 -5.414 755 HH TYR 47 HH TYR 47 -20.483 -3.070 -7.372 756 H ALA 48 H ALA 48 -19.161 -8.540 -0.671 757 HA ALA 48 HA ALA 48 -19.250 -10.149 0.914 758 HB1 ALA 48 HB1 ALA 48 -20.973 -9.988 2.623 759 HB2 ALA 48 HB2 ALA 48 -21.929 -8.931 1.584 760 HB3 ALA 48 HB3 ALA 48 -20.370 -8.385 2.202 Start of MODEL 19 1 H1 SER 0 H1 SER 0 -15.841 15.171 14.042 2 H2 SER 0 H2 SER 0 -15.603 16.507 13.036 3 H3 SER 0 H3 SER 0 -14.461 16.130 14.220 4 HA SER 0 HA SER 0 -13.894 14.102 13.120 5 HB2 SER 0 HB2 SER 0 -16.184 13.735 12.162 6 HB3 SER 0 HB3 SER 0 -15.839 14.986 10.970 7 HG SER 0 HG SER 0 -15.341 12.486 10.689 8 H MET 1 H MET 1 -11.963 15.205 13.125 9 HA MET 1 HA MET 1 -11.295 16.550 10.629 10 HB2 MET 1 HB2 MET 1 -11.930 18.377 12.146 11 HB3 MET 1 HB3 MET 1 -10.785 17.792 13.343 12 HG2 MET 1 HG2 MET 1 -9.904 19.712 12.154 13 HG3 MET 1 HG3 MET 1 -8.937 18.274 11.836 14 HE1 MET 1 HE1 MET 1 -8.647 20.207 8.462 15 HE2 MET 1 HE2 MET 1 -7.773 19.419 9.776 16 HE3 MET 1 HE3 MET 1 -8.689 20.895 10.086 17 H ASP 2 H ASP 2 -10.371 14.335 10.553 18 HA ASP 2 HA ASP 2 -7.572 14.460 11.162 19 HB2 ASP 2 HB2 ASP 2 -8.346 13.643 13.323 20 HB3 ASP 2 HB3 ASP 2 -9.265 12.363 12.537 21 H GLU 3 H GLU 3 -10.237 12.287 10.308 22 HA GLU 3 HA GLU 3 -8.487 10.900 8.421 23 HB2 GLU 3 HB2 GLU 3 -9.750 9.516 9.980 24 HB3 GLU 3 HB3 GLU 3 -11.253 10.236 9.435 25 HG2 GLU 3 HG2 GLU 3 -10.906 9.273 7.217 26 HG3 GLU 3 HG3 GLU 3 -9.404 8.537 7.778 27 H THR 4 H THR 4 -8.519 11.423 6.363 28 HA THR 4 HA THR 4 -10.664 13.016 5.245 29 HB THR 4 HB THR 4 -9.274 12.884 3.148 30 HG1 THR 4 HG1 THR 4 -8.235 10.842 3.914 31 HG21 THR 4 HG21 THR 4 -7.869 13.841 5.645 32 HG22 THR 4 HG22 THR 4 -9.051 14.753 4.708 33 HG23 THR 4 HG23 THR 4 -7.489 14.342 3.998 34 H VAL 5 H VAL 5 -12.486 11.857 4.923 35 HA VAL 5 HA VAL 5 -12.347 9.099 4.065 36 HB VAL 5 HB VAL 5 -14.782 10.827 4.534 37 HG11 VAL 5 HG11 VAL 5 -14.492 7.835 4.281 38 HG12 VAL 5 HG12 VAL 5 -15.269 8.912 3.121 39 HG13 VAL 5 HG13 VAL 5 -15.973 8.684 4.722 40 HG21 VAL 5 HG21 VAL 5 -13.389 8.881 6.369 41 HG22 VAL 5 HG22 VAL 5 -14.927 9.676 6.701 42 HG23 VAL 5 HG23 VAL 5 -13.452 10.633 6.556 43 H LYS 6 H LYS 6 -14.492 11.664 2.862 44 HA LYS 6 HA LYS 6 -15.107 12.312 0.780 45 HB2 LYS 6 HB2 LYS 6 -12.634 10.913 -0.171 46 HB3 LYS 6 HB3 LYS 6 -13.592 12.035 -1.108 47 HG2 LYS 6 HG2 LYS 6 -12.987 13.827 0.345 48 HG3 LYS 6 HG3 LYS 6 -12.168 12.728 1.447 49 HD2 LYS 6 HD2 LYS 6 -10.510 13.830 0.116 50 HD3 LYS 6 HD3 LYS 6 -10.605 12.155 -0.410 51 HE2 LYS 6 HE2 LYS 6 -11.949 12.809 -2.306 52 HE3 LYS 6 HE3 LYS 6 -11.957 14.482 -1.761 53 HZ1 LYS 6 HZ1 LYS 6 -9.600 12.918 -2.669 54 HZ2 LYS 6 HZ2 LYS 6 -9.516 14.471 -2.007 55 HZ3 LYS 6 HZ3 LYS 6 -10.323 14.223 -3.468 56 H LEU 7 H LEU 7 -16.162 11.486 -1.163 57 HA LEU 7 HA LEU 7 -17.416 8.993 -0.706 58 HB2 LEU 7 HB2 LEU 7 -17.380 10.836 -3.076 59 HB3 LEU 7 HB3 LEU 7 -18.226 9.315 -3.122 60 HG LEU 7 HG LEU 7 -19.534 10.107 -1.106 61 HD11 LEU 7 HD11 LEU 7 -18.302 12.715 -1.935 62 HD12 LEU 7 HD12 LEU 7 -18.029 11.866 -0.417 63 HD13 LEU 7 HD13 LEU 7 -19.623 12.525 -0.782 64 HD21 LEU 7 HD21 LEU 7 -21.052 11.446 -2.470 65 HD22 LEU 7 HD22 LEU 7 -20.468 10.040 -3.359 66 HD23 LEU 7 HD23 LEU 7 -19.796 11.636 -3.691 67 H ASN 8 H ASN 8 -15.580 9.815 -3.655 68 HA ASN 8 HA ASN 8 -14.501 7.102 -3.684 69 HB2 ASN 8 HB2 ASN 8 -14.011 9.354 -5.641 70 HB3 ASN 8 HB3 ASN 8 -13.492 7.712 -5.847 71 HD21 ASN 8 HD21 ASN 8 -15.150 9.274 -7.571 72 HD22 ASN 8 HD22 ASN 8 -16.656 8.442 -7.700 73 H HIS 9 H HIS 9 -12.992 6.894 -2.204 74 HA HIS 9 HA HIS 9 -11.330 8.901 -1.195 75 HB2 HIS 9 HB2 HIS 9 -10.476 6.024 -1.255 76 HB3 HIS 9 HB3 HIS 9 -10.231 7.219 0.011 77 HD1 HIS 9 HD1 HIS 9 -12.565 7.919 1.310 78 HD2 HIS 9 HD2 HIS 9 -12.552 4.348 -0.817 79 HE1 HIS 9 HE1 HIS 9 -14.498 6.584 2.211 80 HE2 HIS 9 HE2 HIS 9 -14.526 4.465 0.849 81 H THR 10 H THR 10 -9.536 9.817 -1.998 82 HA THR 10 HA THR 10 -8.675 9.198 -4.633 83 HB THR 10 HB THR 10 -7.322 10.966 -2.587 84 HG1 THR 10 HG1 THR 10 -8.724 12.265 -4.506 85 HG21 THR 10 HG21 THR 10 -5.894 10.409 -4.496 86 HG22 THR 10 HG22 THR 10 -6.382 12.104 -4.550 87 HG23 THR 10 HG23 THR 10 -7.166 10.926 -5.605 88 H CYS 11 H CYS 11 -7.101 7.860 -5.315 89 HA CYS 11 HA CYS 11 -5.800 6.126 -3.489 90 HB2 CYS 11 HB2 CYS 11 -6.202 5.385 -5.784 91 HB3 CYS 11 HB3 CYS 11 -5.153 6.653 -6.393 92 H VAL 12 H VAL 12 -4.365 6.752 -2.125 93 HA VAL 12 HA VAL 12 -2.612 8.771 -2.048 94 HB VAL 12 HB VAL 12 -3.197 6.655 -0.564 95 HG11 VAL 12 HG11 VAL 12 -1.280 5.228 -0.205 96 HG12 VAL 12 HG12 VAL 12 -0.515 5.918 -1.640 97 HG13 VAL 12 HG13 VAL 12 -2.024 5.008 -1.786 98 HG21 VAL 12 HG21 VAL 12 -2.377 8.543 0.364 99 HG22 VAL 12 HG22 VAL 12 -0.814 8.372 -0.431 100 HG23 VAL 12 HG23 VAL 12 -1.277 7.258 0.855 101 H ILE 13 H ILE 13 -2.537 6.117 -4.225 102 HA ILE 13 HA ILE 13 0.263 6.527 -4.918 103 HB ILE 13 HB ILE 13 -1.545 4.460 -6.079 104 HG12 ILE 13 HG12 ILE 13 -1.587 4.405 -3.574 105 HG13 ILE 13 HG13 ILE 13 -0.993 2.952 -4.353 106 HG21 ILE 13 HG21 ILE 13 0.602 4.813 -7.177 107 HG22 ILE 13 HG22 ILE 13 0.514 3.228 -6.405 108 HG23 ILE 13 HG23 ILE 13 1.426 4.532 -5.641 109 HD11 ILE 13 HD11 ILE 13 1.259 3.544 -3.870 110 HD12 ILE 13 HD12 ILE 13 0.301 3.596 -2.389 111 HD13 ILE 13 HD13 ILE 13 0.743 5.092 -3.210 112 H CYS 14 H CYS 14 -2.868 6.149 -6.569 113 HA CYS 14 HA CYS 14 -1.770 6.990 -9.094 114 HB2 CYS 14 HB2 CYS 14 -4.578 6.378 -8.291 115 HB3 CYS 14 HB3 CYS 14 -4.083 6.689 -9.930 116 H ASP 15 H ASP 15 -3.321 8.536 -6.472 117 HA ASP 15 HA ASP 15 -4.166 10.600 -6.082 118 HB2 ASP 15 HB2 ASP 15 -2.070 11.207 -7.496 119 HB3 ASP 15 HB3 ASP 15 -3.257 11.592 -8.722 120 H GLN 16 H GLN 16 -5.686 8.583 -7.402 121 HA GLN 16 HA GLN 16 -7.592 10.176 -8.956 122 HB2 GLN 16 HB2 GLN 16 -7.023 7.211 -9.129 123 HB3 GLN 16 HB3 GLN 16 -8.244 8.065 -10.051 124 HG2 GLN 16 HG2 GLN 16 -5.298 8.518 -10.213 125 HG3 GLN 16 HG3 GLN 16 -6.264 7.628 -11.380 126 HE21 GLN 16 HE21 GLN 16 -4.606 10.011 -11.710 127 HE22 GLN 16 HE22 GLN 16 -5.648 11.235 -12.346 128 H GLU 17 H GLU 17 -9.737 9.945 -8.460 129 HA GLU 17 HA GLU 17 -10.333 9.254 -5.747 130 HB2 GLU 17 HB2 GLU 17 -12.094 10.376 -7.933 131 HB3 GLU 17 HB3 GLU 17 -12.535 10.235 -6.239 132 HG2 GLU 17 HG2 GLU 17 -10.920 11.825 -5.587 133 HG3 GLU 17 HG3 GLU 17 -10.179 11.791 -7.180 134 H LYS 18 H LYS 18 -10.603 7.227 -5.331 135 HA LYS 18 HA LYS 18 -12.295 5.572 -7.102 136 HB2 LYS 18 HB2 LYS 18 -10.233 4.231 -5.446 137 HB3 LYS 18 HB3 LYS 18 -10.866 3.811 -7.023 138 HG2 LYS 18 HG2 LYS 18 -8.887 5.997 -6.461 139 HG3 LYS 18 HG3 LYS 18 -8.510 4.410 -7.117 140 HD2 LYS 18 HD2 LYS 18 -10.468 6.178 -8.488 141 HD3 LYS 18 HD3 LYS 18 -8.759 6.432 -8.700 142 HE2 LYS 18 HE2 LYS 18 -9.740 5.088 -10.488 143 HE3 LYS 18 HE3 LYS 18 -8.514 4.243 -9.580 144 HZ1 LYS 18 HZ1 LYS 18 -10.478 2.880 -10.101 145 HZ2 LYS 18 HZ2 LYS 18 -11.414 3.902 -9.139 146 HZ3 LYS 18 HZ3 LYS 18 -10.176 2.988 -8.444 147 H ASN 19 H ASN 19 -13.771 4.235 -6.128 148 HA ASN 19 HA ASN 19 -14.161 4.731 -3.275 149 HB2 ASN 19 HB2 ASN 19 -16.418 4.160 -3.572 150 HB3 ASN 19 HB3 ASN 19 -15.997 5.037 -5.037 151 HD21 ASN 19 HD21 ASN 19 -16.992 2.040 -3.689 152 HD22 ASN 19 HD22 ASN 19 -17.202 1.185 -5.213 153 H ARG 20 H ARG 20 -12.729 2.435 -5.216 154 HA ARG 20 HA ARG 20 -13.206 0.329 -3.219 155 HB2 ARG 20 HB2 ARG 20 -12.830 0.149 -6.181 156 HB3 ARG 20 HB3 ARG 20 -12.481 -1.231 -5.156 157 HG2 ARG 20 HG2 ARG 20 -14.784 -1.054 -4.269 158 HG3 ARG 20 HG3 ARG 20 -15.108 0.173 -5.478 159 HD2 ARG 20 HD2 ARG 20 -14.264 -1.544 -7.113 160 HD3 ARG 20 HD3 ARG 20 -14.420 -2.716 -5.828 161 HE ARG 20 HE ARG 20 -16.852 -1.434 -5.955 162 HH11 ARG 20 HH11 ARG 20 -14.887 -3.308 -8.158 163 HH12 ARG 20 HH12 ARG 20 -16.246 -3.941 -9.032 164 HH21 ARG 20 HH21 ARG 20 -18.646 -2.273 -7.093 165 HH22 ARG 20 HH22 ARG 20 -18.384 -3.361 -8.422 166 H GLY 21 H GLY 21 -11.560 -0.267 -2.050 167 HA2 GLY 21 HA2 GLY 21 -8.973 -0.859 -2.646 168 HA3 GLY 21 HA3 GLY 21 -8.952 0.890 -2.436 169 H ILE 22 H ILE 22 -7.490 0.256 -0.493 170 HA ILE 22 HA ILE 22 -9.262 -0.330 1.770 171 HB ILE 22 HB ILE 22 -7.641 -1.534 2.841 172 HG12 ILE 22 HG12 ILE 22 -5.565 -0.134 1.181 173 HG13 ILE 22 HG13 ILE 22 -6.035 0.327 2.780 174 HG21 ILE 22 HG21 ILE 22 -8.160 -2.809 0.888 175 HG22 ILE 22 HG22 ILE 22 -6.429 -2.970 1.191 176 HG23 ILE 22 HG23 ILE 22 -7.007 -1.893 -0.085 177 HD11 ILE 22 HD11 ILE 22 -4.644 -2.183 1.954 178 HD12 ILE 22 HD12 ILE 22 -5.294 -1.901 3.568 179 HD13 ILE 22 HD13 ILE 22 -4.008 -0.870 2.952 180 H HIS 23 H HIS 23 -7.859 0.401 3.796 181 HA HIS 23 HA HIS 23 -6.761 3.034 3.534 182 HB2 HIS 23 HB2 HIS 23 -8.482 4.090 5.036 183 HB3 HIS 23 HB3 HIS 23 -9.070 3.700 3.437 184 HD1 HIS 23 HD1 HIS 23 -9.613 2.990 7.032 185 HD2 HIS 23 HD2 HIS 23 -10.888 1.584 3.358 186 HE1 HIS 23 HE1 HIS 23 -11.650 1.602 7.523 187 HE2 HIS 23 HE2 HIS 23 -12.314 0.629 5.298 188 H LEU 24 H LEU 24 -5.104 2.995 4.907 189 HA LEU 24 HA LEU 24 -5.079 1.070 7.075 190 HB2 LEU 24 HB2 LEU 24 -3.073 2.782 5.708 191 HB3 LEU 24 HB3 LEU 24 -2.768 2.368 7.351 192 HG LEU 24 HG LEU 24 -1.865 0.449 6.728 193 HD11 LEU 24 HD11 LEU 24 -4.359 -0.180 5.230 194 HD12 LEU 24 HD12 LEU 24 -3.985 -0.600 6.905 195 HD13 LEU 24 HD13 LEU 24 -3.035 -1.292 5.590 196 HD21 LEU 24 HD21 LEU 24 -2.588 1.245 3.952 197 HD22 LEU 24 HD22 LEU 24 -1.409 0.016 4.419 198 HD23 LEU 24 HD23 LEU 24 -1.137 1.707 4.844 199 H TYR 25 H TYR 25 -4.071 4.424 6.791 200 HA TYR 25 HA TYR 25 -4.791 4.850 9.575 201 HB2 TYR 25 HB2 TYR 25 -3.054 6.551 7.824 202 HB3 TYR 25 HB3 TYR 25 -3.281 6.758 9.547 203 HD1 TYR 25 HD1 TYR 25 -3.152 3.338 8.821 204 HD2 TYR 25 HD2 TYR 25 -0.596 6.712 9.234 205 HE1 TYR 25 HE1 TYR 25 -1.275 1.835 9.174 206 HE2 TYR 25 HE2 TYR 25 1.323 5.213 9.622 207 HH TYR 25 HH TYR 25 1.655 2.893 10.470 208 H THR 26 H THR 26 -4.429 7.599 7.587 209 HA THR 26 HA THR 26 -7.342 7.865 7.397 210 HB THR 26 HB THR 26 -6.608 9.720 8.584 211 HG1 THR 26 HG1 THR 26 -7.023 10.236 5.879 212 HG21 THR 26 HG21 THR 26 -4.625 11.022 8.090 213 HG22 THR 26 HG22 THR 26 -4.296 10.022 6.677 214 HG23 THR 26 HG23 THR 26 -4.214 9.317 8.295 215 H LYS 27 H LYS 27 -4.880 6.777 5.546 216 HA LYS 27 HA LYS 27 -5.651 8.252 3.134 217 HB2 LYS 27 HB2 LYS 27 -3.609 6.533 2.415 218 HB3 LYS 27 HB3 LYS 27 -3.458 8.244 2.761 219 HG2 LYS 27 HG2 LYS 27 -3.270 6.164 4.908 220 HG3 LYS 27 HG3 LYS 27 -1.883 6.658 3.940 221 HD2 LYS 27 HD2 LYS 27 -3.603 8.478 5.611 222 HD3 LYS 27 HD3 LYS 27 -2.016 7.879 6.063 223 HE2 LYS 27 HE2 LYS 27 -1.637 8.989 3.542 224 HE3 LYS 27 HE3 LYS 27 -2.760 10.092 4.332 225 HZ1 LYS 27 HZ1 LYS 27 -0.784 10.956 5.026 226 HZ2 LYS 27 HZ2 LYS 27 0.020 9.475 5.003 227 HZ3 LYS 27 HZ3 LYS 27 -1.023 9.845 6.279 228 H PHE 28 H PHE 28 -5.180 6.806 1.136 229 HA PHE 28 HA PHE 28 -6.633 4.286 1.339 230 HB2 PHE 28 HB2 PHE 28 -8.380 5.823 0.882 231 HB3 PHE 28 HB3 PHE 28 -7.404 6.704 -0.274 232 HD1 PHE 28 HD1 PHE 28 -7.296 6.050 -2.543 233 HD2 PHE 28 HD2 PHE 28 -9.326 3.602 0.274 234 HE1 PHE 28 HE1 PHE 28 -8.244 4.736 -4.387 235 HE2 PHE 28 HE2 PHE 28 -10.275 2.280 -1.565 236 HZ PHE 28 HZ PHE 28 -9.725 2.825 -3.909 237 H ILE 29 H ILE 29 -5.244 2.888 0.443 238 HA ILE 29 HA ILE 29 -3.856 3.613 -2.022 239 HB ILE 29 HB ILE 29 -3.963 0.914 -0.612 240 HG12 ILE 29 HG12 ILE 29 -1.475 1.429 -0.215 241 HG13 ILE 29 HG13 ILE 29 -1.892 3.104 -0.551 242 HG21 ILE 29 HG21 ILE 29 -2.280 1.837 -2.933 243 HG22 ILE 29 HG22 ILE 29 -3.627 0.700 -3.007 244 HG23 ILE 29 HG23 ILE 29 -2.152 0.271 -2.134 245 HD11 ILE 29 HD11 ILE 29 -3.419 3.136 1.308 246 HD12 ILE 29 HD12 ILE 29 -1.837 2.571 1.844 247 HD13 ILE 29 HD13 ILE 29 -3.147 1.419 1.600 248 H CYS 30 H CYS 30 -4.981 3.312 -3.964 249 HA CYS 30 HA CYS 30 -7.524 2.076 -3.991 250 HB2 CYS 30 HB2 CYS 30 -7.653 2.459 -6.256 251 HB3 CYS 30 HB3 CYS 30 -6.485 3.660 -5.766 252 H LEU 31 H LEU 31 -8.183 0.174 -4.928 253 HA LEU 31 HA LEU 31 -7.039 -2.004 -3.758 254 HB2 LEU 31 HB2 LEU 31 -8.784 -3.180 -4.679 255 HB3 LEU 31 HB3 LEU 31 -9.402 -1.567 -4.595 256 HG LEU 31 HG LEU 31 -8.486 -1.511 -7.102 257 HD11 LEU 31 HD11 LEU 31 -7.651 -3.805 -7.071 258 HD12 LEU 31 HD12 LEU 31 -8.962 -3.619 -8.235 259 HD13 LEU 31 HD13 LEU 31 -9.267 -4.395 -6.682 260 HD21 LEU 31 HD21 LEU 31 -11.119 -2.665 -6.213 261 HD22 LEU 31 HD22 LEU 31 -10.774 -2.042 -7.824 262 HD23 LEU 31 HD23 LEU 31 -10.738 -0.959 -6.434 263 H ASP 32 H ASP 32 -6.206 -0.593 -6.716 264 HA ASP 32 HA ASP 32 -5.228 -2.978 -8.005 265 HB2 ASP 32 HB2 ASP 32 -6.213 -1.037 -9.214 266 HB3 ASP 32 HB3 ASP 32 -4.825 -0.119 -8.729 267 H CYS 33 H CYS 33 -4.040 -0.092 -6.570 268 HA CYS 33 HA CYS 33 -1.281 -0.711 -6.675 269 HB2 CYS 33 HB2 CYS 33 -2.797 1.277 -5.000 270 HB3 CYS 33 HB3 CYS 33 -1.066 1.077 -4.943 271 H GLU 34 H GLU 34 -3.883 -1.206 -4.463 272 HA GLU 34 HA GLU 34 -2.427 -2.029 -2.267 273 HB2 GLU 34 HB2 GLU 34 -4.860 -1.490 -2.310 274 HB3 GLU 34 HB3 GLU 34 -5.149 -3.019 -3.088 275 HG2 GLU 34 HG2 GLU 34 -3.768 -2.912 -0.485 276 HG3 GLU 34 HG3 GLU 34 -5.512 -2.827 -0.578 277 H ARG 35 H ARG 35 -3.612 -3.846 -5.041 278 HA ARG 35 HA ARG 35 -2.258 -6.198 -4.144 279 HB2 ARG 35 HB2 ARG 35 -2.775 -7.157 -6.394 280 HB3 ARG 35 HB3 ARG 35 -4.175 -6.616 -5.482 281 HG2 ARG 35 HG2 ARG 35 -4.110 -4.514 -6.802 282 HG3 ARG 35 HG3 ARG 35 -2.858 -5.239 -7.794 283 HD2 ARG 35 HD2 ARG 35 -4.381 -6.997 -8.415 284 HD3 ARG 35 HD3 ARG 35 -5.628 -6.334 -7.371 285 HE ARG 35 HE ARG 35 -4.657 -4.472 -9.325 286 HH11 ARG 35 HH11 ARG 35 -6.921 -7.090 -8.791 287 HH12 ARG 35 HH12 ARG 35 -8.007 -6.568 -10.040 288 HH21 ARG 35 HH21 ARG 35 -6.076 -3.764 -10.934 289 HH22 ARG 35 HH22 ARG 35 -7.529 -4.666 -11.261 290 H LYS 36 H LYS 36 -1.323 -3.479 -5.998 291 HA LYS 36 HA LYS 36 0.788 -4.559 -7.495 292 HB2 LYS 36 HB2 LYS 36 0.377 -1.833 -6.368 293 HB3 LYS 36 HB3 LYS 36 1.702 -2.219 -7.430 294 HG2 LYS 36 HG2 LYS 36 -0.027 -2.787 -9.139 295 HG3 LYS 36 HG3 LYS 36 -1.231 -2.211 -8.063 296 HD2 LYS 36 HD2 LYS 36 -0.615 -0.140 -8.357 297 HD3 LYS 36 HD3 LYS 36 1.061 -0.487 -8.669 298 HE2 LYS 36 HE2 LYS 36 -1.143 -1.187 -10.582 299 HE3 LYS 36 HE3 LYS 36 -0.350 0.382 -10.600 300 HZ1 LYS 36 HZ1 LYS 36 0.679 -1.126 -12.179 301 HZ2 LYS 36 HZ2 LYS 36 0.998 -2.240 -10.951 302 HZ3 LYS 36 HZ3 LYS 36 1.774 -0.740 -10.951 303 H VAL 37 H VAL 37 0.466 -3.267 -4.312 304 HA VAL 37 HA VAL 37 3.132 -3.008 -3.683 305 HB VAL 37 HB VAL 37 2.423 -2.979 -1.347 306 HG11 VAL 37 HG11 VAL 37 0.363 -1.479 -2.930 307 HG12 VAL 37 HG12 VAL 37 2.065 -1.033 -3.005 308 HG13 VAL 37 HG13 VAL 37 1.205 -0.969 -1.465 309 HG21 VAL 37 HG21 VAL 37 0.809 -4.570 -1.064 310 HG22 VAL 37 HG22 VAL 37 -0.085 -4.073 -2.503 311 HG23 VAL 37 HG23 VAL 37 -0.137 -3.081 -1.040 312 H ILE 38 H ILE 38 0.926 -5.620 -3.053 313 HA ILE 38 HA ILE 38 2.558 -7.376 -1.627 314 HB ILE 38 HB ILE 38 0.504 -8.375 -3.573 315 HG12 ILE 38 HG12 ILE 38 -0.018 -6.742 -1.112 316 HG13 ILE 38 HG13 ILE 38 -0.662 -6.514 -2.719 317 HG21 ILE 38 HG21 ILE 38 1.362 -9.164 -0.809 318 HG22 ILE 38 HG22 ILE 38 1.586 -10.059 -2.308 319 HG23 ILE 38 HG23 ILE 38 -0.030 -9.864 -1.628 320 HD11 ILE 38 HD11 ILE 38 -2.215 -8.202 -2.491 321 HD12 ILE 38 HD12 ILE 38 -2.193 -7.476 -0.879 322 HD13 ILE 38 HD13 ILE 38 -1.328 -8.980 -1.185 323 H SER 39 H SER 39 2.197 -6.576 -4.914 324 HA SER 39 HA SER 39 3.558 -8.894 -5.836 325 HB2 SER 39 HB2 SER 39 1.670 -7.811 -7.091 326 HB3 SER 39 HB3 SER 39 2.755 -6.469 -7.444 327 HG SER 39 HG SER 39 3.887 -7.702 -8.794 328 H THR 40 H THR 40 4.304 -5.633 -5.057 329 HA THR 40 HA THR 40 6.837 -5.552 -6.442 330 HB THR 40 HB THR 40 5.732 -3.654 -4.374 331 HG1 THR 40 HG1 THR 40 4.368 -3.932 -6.259 332 HG21 THR 40 HG21 THR 40 8.126 -3.384 -4.767 333 HG22 THR 40 HG22 THR 40 7.226 -2.018 -5.422 334 HG23 THR 40 HG23 THR 40 7.838 -3.269 -6.503 335 H SER 41 H SER 41 5.659 -6.127 -3.190 336 HA SER 41 HA SER 41 8.128 -5.869 -1.842 337 HB2 SER 41 HB2 SER 41 6.865 -7.237 -0.052 338 HB3 SER 41 HB3 SER 41 6.266 -5.634 -0.474 339 HG SER 41 HG SER 41 4.460 -6.647 -0.789 340 H THR 42 H THR 42 7.128 -8.218 -3.970 341 HA THR 42 HA THR 42 8.181 -10.558 -2.742 342 HB THR 42 HB THR 42 7.892 -11.603 -4.920 343 HG1 THR 42 HG1 THR 42 8.633 -9.965 -6.287 344 HG21 THR 42 HG21 THR 42 5.515 -11.111 -5.287 345 HG22 THR 42 HG22 THR 42 5.670 -9.642 -4.317 346 HG23 THR 42 HG23 THR 42 5.884 -11.226 -3.565 347 H SER 43 H SER 43 10.052 -8.587 -2.457 348 HA SER 43 HA SER 43 12.346 -9.728 -3.832 349 HB2 SER 43 HB2 SER 43 13.223 -7.371 -4.219 350 HB3 SER 43 HB3 SER 43 11.877 -7.847 -5.254 351 HG SER 43 HG SER 43 10.670 -6.364 -4.358 352 H ASP 44 H ASP 44 11.422 -10.132 -1.256 353 HA ASP 44 HA ASP 44 12.331 -8.381 0.709 354 HB2 ASP 44 HB2 ASP 44 10.774 -10.134 1.263 355 HB3 ASP 44 HB3 ASP 44 11.953 -11.373 0.842 356 HA PRO 45 HA PRO 45 16.482 -10.922 0.930 357 HB2 PRO 45 HB2 PRO 45 17.125 -12.120 -1.475 358 HB3 PRO 45 HB3 PRO 45 16.491 -12.956 -0.096 359 HG2 PRO 45 HG2 PRO 45 15.153 -12.095 -2.473 360 HG3 PRO 45 HG3 PRO 45 14.873 -13.530 -1.530 361 HD2 PRO 45 HD2 PRO 45 13.233 -11.385 -1.473 362 HD3 PRO 45 HD3 PRO 45 13.506 -12.429 -0.073 363 H ASP 46 H ASP 46 18.528 -10.223 0.083 364 HA ASP 46 HA ASP 46 18.190 -7.723 -1.386 365 HB2 ASP 46 HB2 ASP 46 20.588 -8.706 0.162 366 HB3 ASP 46 HB3 ASP 46 20.366 -7.096 -0.496 367 H TYR 47 H TYR 47 20.288 -7.139 -2.633 368 HA TYR 47 HA TYR 47 20.554 -9.241 -4.650 369 HB2 TYR 47 HB2 TYR 47 21.304 -7.306 -6.111 370 HB3 TYR 47 HB3 TYR 47 19.631 -7.251 -5.571 371 HD1 TYR 47 HD1 TYR 47 19.164 -5.829 -3.435 372 HD2 TYR 47 HD2 TYR 47 22.666 -5.437 -5.822 373 HE1 TYR 47 HE1 TYR 47 19.512 -3.574 -2.544 374 HE2 TYR 47 HE2 TYR 47 23.028 -3.177 -4.920 375 HH TYR 47 HH TYR 47 21.716 -1.373 -3.883 376 H ALA 48 H ALA 48 22.107 -9.204 -2.209 377 HA ALA 48 HA ALA 48 24.806 -8.738 -3.281 378 HB1 ALA 48 HB1 ALA 48 25.569 -8.685 -0.960 379 HB2 ALA 48 HB2 ALA 48 23.922 -8.981 -0.407 380 HB3 ALA 48 HB3 ALA 48 24.315 -7.480 -1.241 381 H1 SER 0 H1 SER 0 16.017 14.847 -14.343 382 H2 SER 0 H2 SER 0 15.798 16.188 -13.339 383 H3 SER 0 H3 SER 0 14.651 15.828 -14.525 384 HA SER 0 HA SER 0 14.050 13.814 -13.416 385 HB2 SER 0 HB2 SER 0 16.333 13.408 -12.463 386 HB3 SER 0 HB3 SER 0 16.016 14.672 -11.277 387 HG SER 0 HG SER 0 15.475 12.184 -10.976 388 H MET 1 H MET 1 12.141 14.949 -13.421 389 HA MET 1 HA MET 1 11.497 16.315 -10.930 390 HB2 MET 1 HB2 MET 1 12.162 18.123 -12.455 391 HB3 MET 1 HB3 MET 1 11.008 17.553 -13.648 392 HG2 MET 1 HG2 MET 1 10.161 19.494 -12.469 393 HG3 MET 1 HG3 MET 1 9.169 18.075 -12.143 394 HE1 MET 1 HE1 MET 1 8.916 20.022 -8.774 395 HE2 MET 1 HE2 MET 1 8.028 19.248 -10.086 396 HE3 MET 1 HE3 MET 1 8.969 20.705 -10.398 397 H ASP 2 H ASP 2 10.534 14.112 -10.849 398 HA ASP 2 HA ASP 2 7.736 14.290 -11.452 399 HB2 ASP 2 HB2 ASP 2 8.497 13.453 -13.612 400 HB3 ASP 2 HB3 ASP 2 9.383 12.153 -12.823 401 H GLU 3 H GLU 3 10.357 12.075 -10.594 402 HA GLU 3 HA GLU 3 8.591 10.720 -8.704 403 HB2 GLU 3 HB2 GLU 3 9.828 9.311 -10.265 404 HB3 GLU 3 HB3 GLU 3 11.346 10.010 -9.722 405 HG2 GLU 3 HG2 GLU 3 10.984 9.058 -7.499 406 HG3 GLU 3 HG3 GLU 3 9.470 8.347 -8.058 407 H THR 4 H THR 4 8.632 11.250 -6.646 408 HA THR 4 HA THR 4 10.808 12.806 -5.534 409 HB THR 4 HB THR 4 9.419 12.713 -3.437 410 HG1 THR 4 HG1 THR 4 8.338 10.684 -4.204 411 HG21 THR 4 HG21 THR 4 8.025 13.682 -5.934 412 HG22 THR 4 HG22 THR 4 9.223 14.578 -5.002 413 HG23 THR 4 HG23 THR 4 7.656 14.195 -4.288 414 H VAL 5 H VAL 5 12.606 11.619 -5.202 415 HA VAL 5 HA VAL 5 12.420 8.867 -4.339 416 HB VAL 5 HB VAL 5 14.884 10.548 -4.817 417 HG11 VAL 5 HG11 VAL 5 14.543 7.563 -4.555 418 HG12 VAL 5 HG12 VAL 5 15.338 8.629 -3.397 419 HG13 VAL 5 HG13 VAL 5 16.039 8.386 -4.997 420 HG21 VAL 5 HG21 VAL 5 13.453 8.620 -6.642 421 HG22 VAL 5 HG22 VAL 5 15.002 9.389 -6.981 422 HG23 VAL 5 HG23 VAL 5 13.545 10.370 -6.836 423 H LYS 6 H LYS 6 14.608 11.402 -3.147 424 HA LYS 6 HA LYS 6 15.238 12.044 -1.070 425 HB2 LYS 6 HB2 LYS 6 12.740 10.690 -0.112 426 HB3 LYS 6 HB3 LYS 6 13.718 11.798 0.821 427 HG2 LYS 6 HG2 LYS 6 13.147 13.594 -0.639 428 HG3 LYS 6 HG3 LYS 6 12.306 12.508 -1.738 429 HD2 LYS 6 HD2 LYS 6 10.666 13.647 -0.413 430 HD3 LYS 6 HD3 LYS 6 10.737 11.975 0.126 431 HE2 LYS 6 HE2 LYS 6 12.097 12.606 2.022 432 HE3 LYS 6 HE3 LYS 6 12.124 14.273 1.461 433 HZ1 LYS 6 HZ1 LYS 6 9.743 12.755 2.378 434 HZ2 LYS 6 HZ2 LYS 6 9.687 14.311 1.717 435 HZ3 LYS 6 HZ3 LYS 6 10.490 14.047 3.179 436 H LEU 7 H LEU 7 16.285 11.207 0.872 437 HA LEU 7 HA LEU 7 17.488 8.687 0.428 438 HB2 LEU 7 HB2 LEU 7 17.488 10.542 2.791 439 HB3 LEU 7 HB3 LEU 7 18.304 9.005 2.840 440 HG LEU 7 HG LEU 7 19.627 9.764 0.823 441 HD11 LEU 7 HD11 LEU 7 18.444 12.398 1.640 442 HD12 LEU 7 HD12 LEU 7 18.152 11.549 0.126 443 HD13 LEU 7 HD13 LEU 7 19.759 12.180 0.488 444 HD21 LEU 7 HD21 LEU 7 21.170 11.085 2.178 445 HD22 LEU 7 HD22 LEU 7 20.564 9.693 3.074 446 HD23 LEU 7 HD23 LEU 7 19.918 11.300 3.401 447 H ASN 8 H ASN 8 15.674 9.552 3.380 448 HA ASN 8 HA ASN 8 14.545 6.860 3.413 449 HB2 ASN 8 HB2 ASN 8 14.096 9.124 5.365 450 HB3 ASN 8 HB3 ASN 8 13.545 7.492 5.573 451 HD21 ASN 8 HD21 ASN 8 15.233 9.039 7.287 452 HD22 ASN 8 HD22 ASN 8 16.716 8.168 7.430 453 H HIS 9 H HIS 9 13.030 6.674 1.935 454 HA HIS 9 HA HIS 9 11.405 8.705 0.917 455 HB2 HIS 9 HB2 HIS 9 10.503 5.839 0.989 456 HB3 HIS 9 HB3 HIS 9 10.275 7.036 -0.280 457 HD1 HIS 9 HD1 HIS 9 12.615 7.692 -1.585 458 HD2 HIS 9 HD2 HIS 9 12.541 4.131 0.556 459 HE1 HIS 9 HE1 HIS 9 14.526 6.322 -2.480 460 HE2 HIS 9 HE2 HIS 9 14.518 4.208 -1.111 461 H THR 10 H THR 10 9.627 9.665 1.722 462 HA THR 10 HA THR 10 8.757 9.065 4.356 463 HB THR 10 HB THR 10 7.429 10.846 2.307 464 HG1 THR 10 HG1 THR 10 8.865 12.120 4.222 465 HG21 THR 10 HG21 THR 10 5.998 10.320 4.221 466 HG22 THR 10 HG22 THR 10 6.514 12.006 4.268 467 HG23 THR 10 HG23 THR 10 7.280 10.820 5.325 468 H CYS 11 H CYS 11 7.157 7.757 5.044 469 HA CYS 11 HA CYS 11 5.828 6.036 3.223 470 HB2 CYS 11 HB2 CYS 11 6.215 5.298 5.523 471 HB3 CYS 11 HB3 CYS 11 5.190 6.587 6.125 472 H VAL 12 H VAL 12 4.402 6.689 1.859 473 HA VAL 12 HA VAL 12 2.681 8.735 1.777 474 HB VAL 12 HB VAL 12 3.233 6.606 0.302 475 HG11 VAL 12 HG11 VAL 12 1.290 5.211 -0.057 476 HG12 VAL 12 HG12 VAL 12 0.537 5.916 1.375 477 HG13 VAL 12 HG13 VAL 12 2.030 4.979 1.524 478 HG21 VAL 12 HG21 VAL 12 2.445 8.502 -0.633 479 HG22 VAL 12 HG22 VAL 12 0.880 8.362 0.163 480 HG23 VAL 12 HG23 VAL 12 1.323 7.234 -1.119 481 H ILE 13 H ILE 13 2.560 6.086 3.956 482 HA ILE 13 HA ILE 13 -0.231 6.547 4.657 483 HB ILE 13 HB ILE 13 1.543 4.455 5.825 484 HG12 ILE 13 HG12 ILE 13 1.583 4.391 3.320 485 HG13 ILE 13 HG13 ILE 13 0.964 2.954 4.104 486 HG21 ILE 13 HG21 ILE 13 -0.597 4.850 6.919 487 HG22 ILE 13 HG22 ILE 13 -0.536 3.260 6.153 488 HG23 ILE 13 HG23 ILE 13 -1.424 4.578 5.383 489 HD11 ILE 13 HD11 ILE 13 -1.280 3.583 3.619 490 HD12 ILE 13 HD12 ILE 13 -0.321 3.612 2.138 491 HD13 ILE 13 HD13 ILE 13 -0.735 5.119 2.953 492 H CYS 14 H CYS 14 2.896 6.126 6.303 493 HA CYS 14 HA CYS 14 1.818 6.987 8.831 494 HB2 CYS 14 HB2 CYS 14 4.615 6.335 8.028 495 HB3 CYS 14 HB3 CYS 14 4.128 6.648 9.665 496 H ASP 15 H ASP 15 3.392 8.501 6.201 497 HA ASP 15 HA ASP 15 4.267 10.550 5.804 498 HB2 ASP 15 HB2 ASP 15 2.186 11.191 7.224 499 HB3 ASP 15 HB3 ASP 15 3.383 11.561 8.448 500 H GLN 16 H GLN 16 5.758 8.509 7.126 501 HA GLN 16 HA GLN 16 7.693 10.072 8.677 502 HB2 GLN 16 HB2 GLN 16 7.072 7.118 8.861 503 HB3 GLN 16 HB3 GLN 16 8.309 7.953 9.778 504 HG2 GLN 16 HG2 GLN 16 5.373 8.460 9.943 505 HG3 GLN 16 HG3 GLN 16 6.323 7.554 11.110 506 HE21 GLN 16 HE21 GLN 16 4.708 9.969 11.426 507 HE22 GLN 16 HE22 GLN 16 5.769 11.171 12.070 508 H GLU 17 H GLU 17 9.836 9.797 8.182 509 HA GLU 17 HA GLU 17 10.416 9.090 5.468 510 HB2 GLU 17 HB2 GLU 17 12.196 10.189 7.649 511 HB3 GLU 17 HB3 GLU 17 12.634 10.032 5.955 512 HG2 GLU 17 HG2 GLU 17 11.050 11.651 5.299 513 HG3 GLU 17 HG3 GLU 17 10.307 11.638 6.890 514 H LYS 18 H LYS 18 10.652 7.057 5.061 515 HA LYS 18 HA LYS 18 12.309 5.378 6.840 516 HB2 LYS 18 HB2 LYS 18 10.222 4.070 5.185 517 HB3 LYS 18 HB3 LYS 18 10.846 3.644 6.764 518 HG2 LYS 18 HG2 LYS 18 8.910 5.863 6.196 519 HG3 LYS 18 HG3 LYS 18 8.503 4.285 6.856 520 HD2 LYS 18 HD2 LYS 18 10.493 6.025 8.219 521 HD3 LYS 18 HD3 LYS 18 8.788 6.309 8.434 522 HE2 LYS 18 HE2 LYS 18 9.743 4.955 10.223 523 HE3 LYS 18 HE3 LYS 18 8.506 4.121 9.313 524 HZ1 LYS 18 HZ1 LYS 18 10.456 2.733 9.850 525 HZ2 LYS 18 HZ2 LYS 18 11.408 3.738 8.880 526 HZ3 LYS 18 HZ3 LYS 18 10.154 2.835 8.191 527 H ASN 19 H ASN 19 13.763 4.016 5.868 528 HA ASN 19 HA ASN 19 14.161 4.492 3.013 529 HB2 ASN 19 HB2 ASN 19 16.407 3.882 3.309 530 HB3 ASN 19 HB3 ASN 19 16.005 4.770 4.771 531 HD21 ASN 19 HD21 ASN 19 16.950 1.752 3.430 532 HD22 ASN 19 HD22 ASN 19 17.143 0.898 4.953 533 H ARG 20 H ARG 20 12.687 2.233 4.963 534 HA ARG 20 HA ARG 20 13.128 0.111 2.973 535 HB2 ARG 20 HB2 ARG 20 12.751 -0.055 5.935 536 HB3 ARG 20 HB3 ARG 20 12.374 -1.431 4.914 537 HG2 ARG 20 HG2 ARG 20 14.680 -1.300 4.023 538 HG3 ARG 20 HG3 ARG 20 15.029 -0.074 5.229 539 HD2 ARG 20 HD2 ARG 20 14.154 -1.771 6.872 540 HD3 ARG 20 HD3 ARG 20 14.288 -2.950 5.592 541 HE ARG 20 HE ARG 20 16.741 -1.722 5.703 542 HH11 ARG 20 HH11 ARG 20 14.748 -3.549 7.918 543 HH12 ARG 20 HH12 ARG 20 16.094 -4.185 8.805 544 HH21 ARG 20 HH21 ARG 20 18.522 -2.577 6.853 545 HH22 ARG 20 HH22 ARG 20 18.241 -3.645 8.189 546 H GLY 21 H GLY 21 11.471 -0.464 1.809 547 HA2 GLY 21 HA2 GLY 21 8.875 -1.008 2.404 548 HA3 GLY 21 HA3 GLY 21 8.885 0.741 2.189 549 H ILE 22 H ILE 22 7.412 0.126 0.249 550 HA ILE 22 HA ILE 22 9.171 -0.497 -2.014 551 HB ILE 22 HB ILE 22 7.527 -1.675 -3.080 552 HG12 ILE 22 HG12 ILE 22 5.478 -0.234 -1.422 553 HG13 ILE 22 HG13 ILE 22 5.955 0.213 -3.023 554 HG21 ILE 22 HG21 ILE 22 8.025 -2.954 -1.123 555 HG22 ILE 22 HG22 ILE 22 6.291 -3.084 -1.423 556 HG23 ILE 22 HG23 ILE 22 6.891 -2.014 -0.151 557 HD11 ILE 22 HD11 ILE 22 4.519 -2.268 -2.190 558 HD12 ILE 22 HD12 ILE 22 5.175 -2.005 -3.804 559 HD13 ILE 22 HD13 ILE 22 3.907 -0.947 -3.192 560 H HIS 23 H HIS 23 7.778 0.252 -4.041 561 HA HIS 23 HA HIS 23 6.728 2.906 -3.786 562 HB2 HIS 23 HB2 HIS 23 8.465 3.924 -5.294 563 HB3 HIS 23 HB3 HIS 23 9.046 3.530 -3.694 564 HD1 HIS 23 HD1 HIS 23 9.569 2.790 -7.284 565 HD2 HIS 23 HD2 HIS 23 10.831 1.387 -3.606 566 HE1 HIS 23 HE1 HIS 23 11.589 1.376 -7.770 567 HE2 HIS 23 HE2 HIS 23 12.225 0.386 -5.544 568 H LEU 24 H LEU 24 5.065 2.892 -5.157 569 HA LEU 24 HA LEU 24 5.008 0.962 -7.318 570 HB2 LEU 24 HB2 LEU 24 3.031 2.713 -5.960 571 HB3 LEU 24 HB3 LEU 24 2.720 2.296 -7.601 572 HG LEU 24 HG LEU 24 1.787 0.395 -6.971 573 HD11 LEU 24 HD11 LEU 24 4.269 -0.269 -5.472 574 HD12 LEU 24 HD12 LEU 24 3.888 -0.692 -7.145 575 HD13 LEU 24 HD13 LEU 24 2.927 -1.361 -5.825 576 HD21 LEU 24 HD21 LEU 24 2.518 1.187 -4.197 577 HD22 LEU 24 HD22 LEU 24 1.316 -0.022 -4.664 578 HD23 LEU 24 HD23 LEU 24 1.079 1.673 -5.097 579 H TYR 25 H TYR 25 4.059 4.334 -7.049 580 HA TYR 25 HA TYR 25 4.789 4.737 -9.833 581 HB2 TYR 25 HB2 TYR 25 3.082 6.473 -8.086 582 HB3 TYR 25 HB3 TYR 25 3.312 6.672 -9.809 583 HD1 TYR 25 HD1 TYR 25 3.123 3.254 -9.075 584 HD2 TYR 25 HD2 TYR 25 0.627 6.674 -9.499 585 HE1 TYR 25 HE1 TYR 25 1.219 1.783 -9.426 586 HE2 TYR 25 HE2 TYR 25 -1.317 5.206 -9.880 587 HH TYR 25 HH TYR 25 -1.701 2.893 -10.721 588 H THR 26 H THR 26 4.478 7.499 -7.857 589 HA THR 26 HA THR 26 7.395 7.713 -7.666 590 HB THR 26 HB THR 26 6.695 9.578 -8.857 591 HG1 THR 26 HG1 THR 26 7.117 10.094 -6.151 592 HG21 THR 26 HG21 THR 26 4.736 10.921 -8.365 593 HG22 THR 26 HG22 THR 26 4.390 9.929 -6.949 594 HG23 THR 26 HG23 THR 26 4.294 9.223 -8.566 595 H LYS 27 H LYS 27 4.913 6.676 -5.811 596 HA LYS 27 HA LYS 27 5.709 8.148 -3.402 597 HB2 LYS 27 HB2 LYS 27 3.641 6.464 -2.679 598 HB3 LYS 27 HB3 LYS 27 3.517 8.175 -3.029 599 HG2 LYS 27 HG2 LYS 27 3.291 6.090 -5.169 600 HG3 LYS 27 HG3 LYS 27 1.915 6.613 -4.201 601 HD2 LYS 27 HD2 LYS 27 3.663 8.394 -5.881 602 HD3 LYS 27 HD3 LYS 27 2.066 7.822 -6.328 603 HE2 LYS 27 HE2 LYS 27 1.709 8.945 -3.813 604 HE3 LYS 27 HE3 LYS 27 2.855 10.024 -4.603 605 HZ1 LYS 27 HZ1 LYS 27 0.903 10.930 -5.299 606 HZ2 LYS 27 HZ2 LYS 27 0.061 9.468 -5.266 607 HZ3 LYS 27 HZ3 LYS 27 1.109 9.804 -6.545 608 H PHE 28 H PHE 28 5.218 6.714 -1.398 609 HA PHE 28 HA PHE 28 6.624 4.167 -1.596 610 HB2 PHE 28 HB2 PHE 28 8.399 5.674 -1.145 611 HB3 PHE 28 HB3 PHE 28 7.441 6.574 0.010 612 HD1 PHE 28 HD1 PHE 28 7.320 5.930 2.277 613 HD2 PHE 28 HD2 PHE 28 9.304 3.438 -0.530 614 HE1 PHE 28 HE1 PHE 28 8.244 4.605 4.128 615 HE2 PHE 28 HE2 PHE 28 10.232 2.104 1.311 616 HZ PHE 28 HZ PHE 28 9.691 2.669 3.656 617 H ILE 29 H ILE 29 5.211 2.795 -0.696 618 HA ILE 29 HA ILE 29 3.838 3.552 1.768 619 HB ILE 29 HB ILE 29 3.893 0.847 0.367 620 HG12 ILE 29 HG12 ILE 29 1.415 1.407 -0.031 621 HG13 ILE 29 HG13 ILE 29 1.863 3.074 0.301 622 HG21 ILE 29 HG21 ILE 29 2.230 1.811 2.685 623 HG22 ILE 29 HG22 ILE 29 3.559 0.651 2.762 624 HG23 ILE 29 HG23 ILE 29 2.075 0.243 1.894 625 HD11 ILE 29 HD11 ILE 29 3.389 3.072 -1.559 626 HD12 ILE 29 HD12 ILE 29 1.798 2.536 -2.093 627 HD13 ILE 29 HD13 ILE 29 3.087 1.360 -1.845 628 H CYS 30 H CYS 30 4.955 3.239 3.707 629 HA CYS 30 HA CYS 30 7.474 1.959 3.740 630 HB2 CYS 30 HB2 CYS 30 7.615 2.346 6.006 631 HB3 CYS 30 HB3 CYS 30 6.475 3.570 5.509 632 H LEU 31 H LEU 31 8.104 0.044 4.684 633 HA LEU 31 HA LEU 31 6.922 -2.117 3.520 634 HB2 LEU 31 HB2 LEU 31 8.668 -3.324 4.437 635 HB3 LEU 31 HB3 LEU 31 9.295 -1.711 4.359 636 HG LEU 31 HG LEU 31 8.381 -1.635 6.862 637 HD11 LEU 31 HD11 LEU 31 7.504 -3.912 6.842 638 HD12 LEU 31 HD12 LEU 31 8.819 -3.746 8.004 639 HD13 LEU 31 HD13 LEU 31 9.107 -4.534 6.453 640 HD21 LEU 31 HD21 LEU 31 10.996 -2.841 5.982 641 HD22 LEU 31 HD22 LEU 31 10.656 -2.204 7.590 642 HD23 LEU 31 HD23 LEU 31 10.642 -1.126 6.194 643 H ASP 32 H ASP 32 6.121 -0.680 6.473 644 HA ASP 32 HA ASP 32 5.089 -3.037 7.775 645 HB2 ASP 32 HB2 ASP 32 6.119 -1.111 8.970 646 HB3 ASP 32 HB3 ASP 32 4.745 -0.169 8.488 647 H CYS 33 H CYS 33 3.971 -0.111 6.309 648 HA CYS 33 HA CYS 33 1.195 -0.705 6.440 649 HB2 CYS 33 HB2 CYS 33 2.737 1.248 4.752 650 HB3 CYS 33 HB3 CYS 33 1.003 1.077 4.699 651 H GLU 34 H GLU 34 3.783 -1.259 4.224 652 HA GLU 34 HA GLU 34 2.308 -2.060 2.030 653 HB2 GLU 34 HB2 GLU 34 4.752 -1.564 2.071 654 HB3 GLU 34 HB3 GLU 34 5.013 -3.096 2.854 655 HG2 GLU 34 HG2 GLU 34 3.631 -2.971 0.251 656 HG3 GLU 34 HG3 GLU 34 5.376 -2.917 0.343 657 H ARG 35 H ARG 35 3.466 -3.889 4.808 658 HA ARG 35 HA ARG 35 2.070 -6.218 3.921 659 HB2 ARG 35 HB2 ARG 35 2.575 -7.178 6.174 660 HB3 ARG 35 HB3 ARG 35 3.983 -6.664 5.260 661 HG2 ARG 35 HG2 ARG 35 3.952 -4.559 6.576 662 HG3 ARG 35 HG3 ARG 35 2.687 -5.260 7.567 663 HD2 ARG 35 HD2 ARG 35 4.176 -7.042 8.194 664 HD3 ARG 35 HD3 ARG 35 5.436 -6.409 7.148 665 HE ARG 35 HE ARG 35 4.503 -4.518 9.095 666 HH11 ARG 35 HH11 ARG 35 6.717 -7.185 8.571 667 HH12 ARG 35 HH12 ARG 35 7.813 -6.679 9.818 668 HH21 ARG 35 HH21 ARG 35 5.940 -3.833 10.699 669 HH22 ARG 35 HH22 ARG 35 7.374 -4.765 11.031 670 H LYS 36 H LYS 36 1.178 -3.481 5.768 671 HA LYS 36 HA LYS 36 -0.949 -4.516 7.270 672 HB2 LYS 36 HB2 LYS 36 -0.474 -1.795 6.148 673 HB3 LYS 36 HB3 LYS 36 -1.824 -2.156 7.188 674 HG2 LYS 36 HG2 LYS 36 -0.162 -2.819 8.946 675 HG3 LYS 36 HG3 LYS 36 1.064 -2.222 7.870 676 HD2 LYS 36 HD2 LYS 36 0.541 -0.085 8.104 677 HD3 LYS 36 HD3 LYS 36 -1.119 -0.477 8.429 678 HE2 LYS 36 HE2 LYS 36 1.038 -1.169 10.347 679 HE3 LYS 36 HE3 LYS 36 0.275 0.411 10.356 680 HZ1 LYS 36 HZ1 LYS 36 -0.774 -1.069 11.948 681 HZ2 LYS 36 HZ2 LYS 36 -1.116 -2.187 10.725 682 HZ3 LYS 36 HZ3 LYS 36 -1.866 -0.672 10.720 683 H VAL 37 H VAL 37 -0.603 -3.245 4.082 684 HA VAL 37 HA VAL 37 -3.267 -2.934 3.456 685 HB VAL 37 HB VAL 37 -2.557 -2.927 1.117 686 HG11 VAL 37 HG11 VAL 37 -0.470 -1.460 2.696 687 HG12 VAL 37 HG12 VAL 37 -2.164 -0.984 2.767 688 HG13 VAL 37 HG13 VAL 37 -1.302 -0.939 1.228 689 HG21 VAL 37 HG21 VAL 37 -0.973 -4.549 0.839 690 HG22 VAL 37 HG22 VAL 37 -0.070 -4.064 2.278 691 HG23 VAL 37 HG23 VAL 37 0.000 -3.078 0.811 692 H ILE 38 H ILE 38 -1.109 -5.587 2.831 693 HA ILE 38 HA ILE 38 -2.772 -7.319 1.414 694 HB ILE 38 HB ILE 38 -0.733 -8.350 3.359 695 HG12 ILE 38 HG12 ILE 38 -0.185 -6.733 0.893 696 HG13 ILE 38 HG13 ILE 38 0.464 -6.512 2.500 697 HG21 ILE 38 HG21 ILE 38 -1.607 -9.131 0.597 698 HG22 ILE 38 HG22 ILE 38 -1.845 -10.018 2.098 699 HG23 ILE 38 HG23 ILE 38 -0.226 -9.852 1.418 700 HD11 ILE 38 HD11 ILE 38 1.985 -8.225 2.276 701 HD12 ILE 38 HD12 ILE 38 1.975 -7.506 0.663 702 HD13 ILE 38 HD13 ILE 38 1.084 -8.995 0.977 703 H SER 39 H SER 39 -2.394 -6.513 4.699 704 HA SER 39 HA SER 39 -3.795 -8.809 5.626 705 HB2 SER 39 HB2 SER 39 -1.893 -7.762 6.890 706 HB3 SER 39 HB3 SER 39 -2.947 -6.392 7.228 707 HG SER 39 HG SER 39 -4.099 -7.581 8.593 708 H THR 40 H THR 40 -4.483 -5.536 4.837 709 HA THR 40 HA THR 40 -7.012 -5.404 6.225 710 HB THR 40 HB THR 40 -5.874 -3.535 4.147 711 HG1 THR 40 HG1 THR 40 -4.521 -3.831 6.044 712 HG21 THR 40 HG21 THR 40 -8.264 -3.224 4.537 713 HG22 THR 40 HG22 THR 40 -7.341 -1.870 5.186 714 HG23 THR 40 HG23 THR 40 -7.973 -3.105 6.273 715 H SER 41 H SER 41 -5.847 -6.012 2.974 716 HA SER 41 HA SER 41 -8.312 -5.713 1.627 717 HB2 SER 41 HB2 SER 41 -7.076 -7.114 -0.156 718 HB3 SER 41 HB3 SER 41 -6.451 -5.518 0.257 719 HG SER 41 HG SER 41 -4.663 -6.560 0.576 720 H THR 42 H THR 42 -7.353 -8.073 3.759 721 HA THR 42 HA THR 42 -8.448 -10.399 2.546 722 HB THR 42 HB THR 42 -8.176 -11.442 4.727 723 HG1 THR 42 HG1 THR 42 -8.890 -9.777 6.086 724 HG21 THR 42 HG21 THR 42 -5.791 -10.990 5.088 725 HG22 THR 42 HG22 THR 42 -5.921 -9.522 4.114 726 HG23 THR 42 HG23 THR 42 -6.165 -11.102 3.368 727 H SER 43 H SER 43 -10.287 -8.398 2.249 728 HA SER 43 HA SER 43 -12.598 -9.490 3.637 729 HB2 SER 43 HB2 SER 43 -13.428 -7.111 4.005 730 HB3 SER 43 HB3 SER 43 -12.094 -7.611 5.046 731 HG SER 43 HG SER 43 -10.864 -6.149 4.160 732 H ASP 44 H ASP 44 -11.674 -9.916 1.055 733 HA ASP 44 HA ASP 44 -12.558 -8.161 -0.918 734 HB2 ASP 44 HB2 ASP 44 -11.035 -9.949 -1.465 735 HB3 ASP 44 HB3 ASP 44 -12.236 -11.162 -1.036 736 HA PRO 45 HA PRO 45 -16.756 -10.610 -1.122 737 HB2 PRO 45 HB2 PRO 45 -17.432 -11.819 1.266 738 HB3 PRO 45 HB3 PRO 45 -16.805 -12.663 -0.139 739 HG2 PRO 45 HG2 PRO 45 -15.439 -11.782 2.329 740 HG3 PRO 45 HG3 PRO 45 -15.233 -13.230 1.357 741 HD2 PRO 45 HD2 PRO 45 -13.499 -11.149 1.263 742 HD3 PRO 45 HD3 PRO 45 -13.816 -12.194 -0.136 743 H ASP 46 H ASP 46 -18.780 -9.920 -0.249 744 HA ASP 46 HA ASP 46 -18.405 -7.393 1.182 745 HB2 ASP 46 HB2 ASP 46 -20.822 -8.342 -0.361 746 HB3 ASP 46 HB3 ASP 46 -20.574 -6.734 0.295 747 H TYR 47 H TYR 47 -20.492 -6.764 2.428 748 HA TYR 47 HA TYR 47 -20.794 -8.855 4.451 749 HB2 TYR 47 HB2 TYR 47 -21.508 -6.902 5.905 750 HB3 TYR 47 HB3 TYR 47 -19.834 -6.878 5.365 751 HD1 TYR 47 HD1 TYR 47 -19.347 -5.470 3.220 752 HD2 TYR 47 HD2 TYR 47 -22.837 -5.012 5.612 753 HE1 TYR 47 HE1 TYR 47 -19.660 -3.208 2.319 754 HE2 TYR 47 HE2 TYR 47 -23.160 -2.749 4.705 755 HH TYR 47 HH TYR 47 -21.823 -0.970 3.669 756 H ALA 48 H ALA 48 -22.347 -8.802 2.009 757 HA ALA 48 HA ALA 48 -25.035 -8.279 3.080 758 HB1 ALA 48 HB1 ALA 48 -25.800 -8.224 0.760 759 HB2 ALA 48 HB2 ALA 48 -24.159 -8.559 0.206 760 HB3 ALA 48 HB3 ALA 48 -24.518 -7.044 1.034 Start of MODEL 20 1 H1 SER 0 H1 SER 0 1.269 11.529 3.049 2 H2 SER 0 H2 SER 0 1.573 11.419 1.376 3 H3 SER 0 H3 SER 0 0.144 12.152 1.935 4 HA SER 0 HA SER 0 2.910 13.143 2.312 5 HB2 SER 0 HB2 SER 0 1.833 13.392 0.025 6 HB3 SER 0 HB3 SER 0 0.615 14.405 0.795 7 HG SER 0 HG SER 0 3.265 14.942 0.181 8 H MET 1 H MET 1 -0.551 13.939 2.675 9 HA MET 1 HA MET 1 -0.189 14.750 5.388 10 HB2 MET 1 HB2 MET 1 0.693 16.762 4.259 11 HB3 MET 1 HB3 MET 1 -0.816 16.918 3.372 12 HG2 MET 1 HG2 MET 1 -2.024 17.275 5.450 13 HG3 MET 1 HG3 MET 1 -0.528 17.078 6.362 14 HE1 MET 1 HE1 MET 1 -1.341 20.909 6.705 15 HE2 MET 1 HE2 MET 1 -1.047 19.403 7.573 16 HE3 MET 1 HE3 MET 1 -2.512 19.595 6.612 17 H ASP 2 H ASP 2 -2.357 15.747 2.736 18 HA ASP 2 HA ASP 2 -4.523 14.368 4.168 19 HB2 ASP 2 HB2 ASP 2 -6.111 15.976 3.285 20 HB3 ASP 2 HB3 ASP 2 -4.834 16.824 4.141 21 H GLU 3 H GLU 3 -5.222 12.639 3.196 22 HA GLU 3 HA GLU 3 -4.814 12.365 0.295 23 HB2 GLU 3 HB2 GLU 3 -5.163 10.135 2.268 24 HB3 GLU 3 HB3 GLU 3 -4.611 10.028 0.603 25 HG2 GLU 3 HG2 GLU 3 -3.140 11.248 2.921 26 HG3 GLU 3 HG3 GLU 3 -2.777 9.759 2.082 27 H THR 4 H THR 4 -7.121 13.531 1.879 28 HA THR 4 HA THR 4 -9.238 11.609 1.164 29 HB THR 4 HB THR 4 -10.506 12.591 3.122 30 HG1 THR 4 HG1 THR 4 -9.154 14.461 3.374 31 HG21 THR 4 HG21 THR 4 -9.310 11.241 4.796 32 HG22 THR 4 HG22 THR 4 -7.928 11.131 3.706 33 HG23 THR 4 HG23 THR 4 -9.465 10.391 3.258 34 H VAL 5 H VAL 5 -10.802 12.354 -0.137 35 HA VAL 5 HA VAL 5 -11.384 15.228 -0.134 36 HB VAL 5 HB VAL 5 -11.821 15.151 -2.563 37 HG11 VAL 5 HG11 VAL 5 -9.008 14.415 -1.766 38 HG12 VAL 5 HG12 VAL 5 -9.705 16.033 -1.743 39 HG13 VAL 5 HG13 VAL 5 -9.479 15.193 -3.277 40 HG21 VAL 5 HG21 VAL 5 -10.482 12.463 -2.420 41 HG22 VAL 5 HG22 VAL 5 -10.986 13.305 -3.886 42 HG23 VAL 5 HG23 VAL 5 -12.193 12.742 -2.732 43 H LYS 6 H LYS 6 -12.540 12.449 0.759 44 HA LYS 6 HA LYS 6 -14.585 11.690 1.324 45 HB2 LYS 6 HB2 LYS 6 -15.353 14.389 0.340 46 HB3 LYS 6 HB3 LYS 6 -16.598 13.228 0.739 47 HG2 LYS 6 HG2 LYS 6 -16.167 14.732 2.589 48 HG3 LYS 6 HG3 LYS 6 -15.724 13.082 2.997 49 HD2 LYS 6 HD2 LYS 6 -13.389 13.575 2.664 50 HD3 LYS 6 HD3 LYS 6 -13.778 15.193 2.094 51 HE2 LYS 6 HE2 LYS 6 -12.999 15.254 4.388 52 HE3 LYS 6 HE3 LYS 6 -14.688 15.733 4.287 53 HZ1 LYS 6 HZ1 LYS 6 -15.332 13.534 5.027 54 HZ2 LYS 6 HZ2 LYS 6 -14.284 14.248 6.147 55 HZ3 LYS 6 HZ3 LYS 6 -13.711 13.053 5.098 56 H LEU 7 H LEU 7 -16.612 10.825 0.444 57 HA LEU 7 HA LEU 7 -17.672 9.476 -1.010 58 HB2 LEU 7 HB2 LEU 7 -18.205 11.467 -2.237 59 HB3 LEU 7 HB3 LEU 7 -16.660 11.421 -3.026 60 HG LEU 7 HG LEU 7 -17.318 9.283 -4.119 61 HD11 LEU 7 HD11 LEU 7 -19.697 8.720 -4.122 62 HD12 LEU 7 HD12 LEU 7 -19.981 9.982 -2.925 63 HD13 LEU 7 HD13 LEU 7 -18.979 8.592 -2.518 64 HD21 LEU 7 HD21 LEU 7 -19.095 11.663 -4.646 65 HD22 LEU 7 HD22 LEU 7 -18.805 10.325 -5.756 66 HD23 LEU 7 HD23 LEU 7 -17.483 11.404 -5.310 67 H ASN 8 H ASN 8 -15.178 10.232 -3.361 68 HA ASN 8 HA ASN 8 -14.264 7.436 -3.246 69 HB2 ASN 8 HB2 ASN 8 -13.584 9.554 -5.304 70 HB3 ASN 8 HB3 ASN 8 -13.252 7.842 -5.415 71 HD21 ASN 8 HD21 ASN 8 -14.699 9.552 -7.223 72 HD22 ASN 8 HD22 ASN 8 -16.270 8.859 -7.376 73 H HIS 9 H HIS 9 -12.737 7.305 -1.674 74 HA HIS 9 HA HIS 9 -10.974 9.269 -0.811 75 HB2 HIS 9 HB2 HIS 9 -10.962 6.302 -0.758 76 HB3 HIS 9 HB3 HIS 9 -9.438 7.106 -0.449 77 HD1 HIS 9 HD1 HIS 9 -12.652 6.231 1.124 78 HD2 HIS 9 HD2 HIS 9 -9.408 8.703 1.919 79 HE1 HIS 9 HE1 HIS 9 -12.811 6.788 3.570 80 HE2 HIS 9 HE2 HIS 9 -10.742 8.134 4.061 81 H THR 10 H THR 10 -8.714 9.575 -1.275 82 HA THR 10 HA THR 10 -8.248 9.264 -4.143 83 HB THR 10 HB THR 10 -6.684 10.893 -2.108 84 HG1 THR 10 HG1 THR 10 -9.074 11.329 -3.268 85 HG21 THR 10 HG21 THR 10 -5.751 12.037 -4.043 86 HG22 THR 10 HG22 THR 10 -6.688 11.008 -5.125 87 HG23 THR 10 HG23 THR 10 -5.406 10.310 -4.133 88 H CYS 11 H CYS 11 -6.737 7.937 -4.959 89 HA CYS 11 HA CYS 11 -5.461 6.059 -3.234 90 HB2 CYS 11 HB2 CYS 11 -6.012 5.429 -5.556 91 HB3 CYS 11 HB3 CYS 11 -4.914 6.659 -6.159 92 H VAL 12 H VAL 12 -3.852 6.575 -1.969 93 HA VAL 12 HA VAL 12 -2.216 8.813 -2.108 94 HB VAL 12 HB VAL 12 -0.671 7.580 -0.639 95 HG11 VAL 12 HG11 VAL 12 -2.606 8.644 0.352 96 HG12 VAL 12 HG12 VAL 12 -2.244 7.135 1.191 97 HG13 VAL 12 HG13 VAL 12 -3.578 7.206 0.039 98 HG21 VAL 12 HG21 VAL 12 -1.170 5.282 0.027 99 HG22 VAL 12 HG22 VAL 12 -0.809 5.390 -1.696 100 HG23 VAL 12 HG23 VAL 12 -2.479 5.230 -1.153 101 H ILE 13 H ILE 13 -2.272 6.129 -4.115 102 HA ILE 13 HA ILE 13 0.510 6.283 -4.847 103 HB ILE 13 HB ILE 13 -1.486 4.420 -6.033 104 HG12 ILE 13 HG12 ILE 13 -1.492 4.286 -3.533 105 HG13 ILE 13 HG13 ILE 13 -1.031 2.812 -4.363 106 HG21 ILE 13 HG21 ILE 13 1.489 4.214 -5.667 107 HG22 ILE 13 HG22 ILE 13 0.658 4.612 -7.173 108 HG23 ILE 13 HG23 ILE 13 0.451 3.018 -6.444 109 HD11 ILE 13 HD11 ILE 13 0.331 3.319 -2.399 110 HD12 ILE 13 HD12 ILE 13 0.905 4.771 -3.221 111 HD13 ILE 13 HD13 ILE 13 1.256 3.177 -3.895 112 H CYS 14 H CYS 14 -2.626 6.188 -6.443 113 HA CYS 14 HA CYS 14 -1.543 7.050 -8.960 114 HB2 CYS 14 HB2 CYS 14 -4.345 6.556 -8.060 115 HB3 CYS 14 HB3 CYS 14 -3.913 6.918 -9.706 116 H ASP 15 H ASP 15 -2.842 8.541 -6.211 117 HA ASP 15 HA ASP 15 -3.594 10.578 -5.642 118 HB2 ASP 15 HB2 ASP 15 -2.112 11.363 -8.126 119 HB3 ASP 15 HB3 ASP 15 -2.801 12.500 -6.983 120 H GLN 16 H GLN 16 -5.341 8.963 -7.051 121 HA GLN 16 HA GLN 16 -7.041 10.913 -8.431 122 HB2 GLN 16 HB2 GLN 16 -7.021 7.941 -8.974 123 HB3 GLN 16 HB3 GLN 16 -7.885 9.178 -9.858 124 HG2 GLN 16 HG2 GLN 16 -4.931 8.836 -9.763 125 HG3 GLN 16 HG3 GLN 16 -5.972 8.381 -11.090 126 HE21 GLN 16 HE21 GLN 16 -3.736 10.201 -11.063 127 HE22 GLN 16 HE22 GLN 16 -4.351 11.716 -11.602 128 H GLU 17 H GLU 17 -9.378 10.185 -8.306 129 HA GLU 17 HA GLU 17 -9.917 9.545 -5.521 130 HB2 GLU 17 HB2 GLU 17 -11.734 10.735 -7.612 131 HB3 GLU 17 HB3 GLU 17 -12.106 10.544 -5.904 132 HG2 GLU 17 HG2 GLU 17 -10.498 12.116 -5.260 133 HG3 GLU 17 HG3 GLU 17 -9.750 12.104 -6.850 134 H LYS 18 H LYS 18 -10.130 7.546 -5.195 135 HA LYS 18 HA LYS 18 -11.981 5.943 -6.821 136 HB2 LYS 18 HB2 LYS 18 -10.175 4.176 -5.600 137 HB3 LYS 18 HB3 LYS 18 -10.390 4.471 -7.297 138 HG2 LYS 18 HG2 LYS 18 -8.536 6.071 -5.587 139 HG3 LYS 18 HG3 LYS 18 -8.057 4.623 -6.463 140 HD2 LYS 18 HD2 LYS 18 -8.984 7.247 -7.568 141 HD3 LYS 18 HD3 LYS 18 -7.452 6.451 -7.811 142 HE2 LYS 18 HE2 LYS 18 -10.083 5.750 -8.957 143 HE3 LYS 18 HE3 LYS 18 -8.639 6.207 -9.814 144 HZ1 LYS 18 HZ1 LYS 18 -9.088 3.829 -9.978 145 HZ2 LYS 18 HZ2 LYS 18 -8.988 3.674 -8.298 146 HZ3 LYS 18 HZ3 LYS 18 -7.623 4.126 -9.192 147 H ASN 19 H ASN 19 -13.477 4.831 -5.713 148 HA ASN 19 HA ASN 19 -13.441 5.120 -2.817 149 HB2 ASN 19 HB2 ASN 19 -15.459 5.858 -3.749 150 HB3 ASN 19 HB3 ASN 19 -15.570 4.475 -4.801 151 HD21 ASN 19 HD21 ASN 19 -16.119 5.728 -1.641 152 HD22 ASN 19 HD22 ASN 19 -17.061 4.372 -1.037 153 H ARG 20 H ARG 20 -12.509 2.859 -5.086 154 HA ARG 20 HA ARG 20 -13.012 0.630 -3.241 155 HB2 ARG 20 HB2 ARG 20 -12.640 0.639 -6.215 156 HB3 ARG 20 HB3 ARG 20 -12.649 -0.822 -5.269 157 HG2 ARG 20 HG2 ARG 20 -14.884 -0.324 -4.499 158 HG3 ARG 20 HG3 ARG 20 -14.885 1.130 -5.484 159 HD2 ARG 20 HD2 ARG 20 -14.474 -0.230 -7.399 160 HD3 ARG 20 HD3 ARG 20 -14.492 -1.675 -6.443 161 HE ARG 20 HE ARG 20 -16.882 -0.762 -5.856 162 HH11 ARG 20 HH11 ARG 20 -15.332 -0.838 -8.995 163 HH12 ARG 20 HH12 ARG 20 -16.823 -1.010 -9.862 164 HH21 ARG 20 HH21 ARG 20 -18.841 -0.980 -7.003 165 HH22 ARG 20 HH22 ARG 20 -18.818 -1.085 -8.733 166 H GLY 21 H GLY 21 -11.421 -0.351 -2.312 167 HA2 GLY 21 HA2 GLY 21 -8.927 -1.068 -2.841 168 HA3 GLY 21 HA3 GLY 21 -8.708 0.664 -2.671 169 H ILE 22 H ILE 22 -7.379 0.059 -0.576 170 HA ILE 22 HA ILE 22 -9.342 -0.466 1.554 171 HB ILE 22 HB ILE 22 -7.866 -1.736 2.765 172 HG12 ILE 22 HG12 ILE 22 -5.642 -0.477 1.199 173 HG13 ILE 22 HG13 ILE 22 -6.137 -0.021 2.796 174 HG21 ILE 22 HG21 ILE 22 -8.301 -3.120 0.918 175 HG22 ILE 22 HG22 ILE 22 -6.547 -3.213 1.136 176 HG23 ILE 22 HG23 ILE 22 -7.226 -2.195 -0.132 177 HD11 ILE 22 HD11 ILE 22 -5.048 -2.703 2.039 178 HD12 ILE 22 HD12 ILE 22 -5.443 -2.143 3.666 179 HD13 ILE 22 HD13 ILE 22 -4.121 -1.396 2.772 180 H HIS 23 H HIS 23 -7.976 0.211 3.712 181 HA HIS 23 HA HIS 23 -6.946 2.876 3.391 182 HB2 HIS 23 HB2 HIS 23 -8.677 3.959 4.779 183 HB3 HIS 23 HB3 HIS 23 -9.330 3.345 3.281 184 HD1 HIS 23 HD1 HIS 23 -9.765 3.223 6.915 185 HD2 HIS 23 HD2 HIS 23 -10.892 1.001 3.618 186 HE1 HIS 23 HE1 HIS 23 -11.643 1.752 7.715 187 HE2 HIS 23 HE2 HIS 23 -12.195 0.289 5.738 188 H LEU 24 H LEU 24 -5.217 2.804 4.651 189 HA LEU 24 HA LEU 24 -5.422 1.701 7.333 190 HB2 LEU 24 HB2 LEU 24 -2.974 2.731 5.909 191 HB3 LEU 24 HB3 LEU 24 -3.057 1.734 7.304 192 HG LEU 24 HG LEU 24 -3.973 0.756 4.631 193 HD11 LEU 24 HD11 LEU 24 -1.662 1.329 4.386 194 HD12 LEU 24 HD12 LEU 24 -1.779 -0.421 4.562 195 HD13 LEU 24 HD13 LEU 24 -1.259 0.569 5.925 196 HD21 LEU 24 HD21 LEU 24 -3.704 -1.436 5.638 197 HD22 LEU 24 HD22 LEU 24 -4.800 -0.453 6.611 198 HD23 LEU 24 HD23 LEU 24 -3.131 -0.700 7.134 199 H TYR 25 H TYR 25 -4.964 3.135 9.084 200 HA TYR 25 HA TYR 25 -4.852 5.143 10.161 201 HB2 TYR 25 HB2 TYR 25 -3.454 6.131 7.698 202 HB3 TYR 25 HB3 TYR 25 -3.379 6.863 9.282 203 HD1 TYR 25 HD1 TYR 25 -3.196 3.231 9.035 204 HD2 TYR 25 HD2 TYR 25 -0.845 6.788 9.138 205 HE1 TYR 25 HE1 TYR 25 -1.218 1.897 9.492 206 HE2 TYR 25 HE2 TYR 25 1.164 5.440 9.610 207 HH TYR 25 HH TYR 25 1.674 3.230 10.615 208 H THR 26 H THR 26 -4.823 7.469 7.842 209 HA THR 26 HA THR 26 -7.752 7.489 7.625 210 HB THR 26 HB THR 26 -7.157 9.416 8.799 211 HG1 THR 26 HG1 THR 26 -7.157 11.092 6.851 212 HG21 THR 26 HG21 THR 26 -4.948 9.901 6.811 213 HG22 THR 26 HG22 THR 26 -4.753 9.241 8.436 214 HG23 THR 26 HG23 THR 26 -5.325 10.898 8.217 215 H LYS 27 H LYS 27 -5.311 6.410 5.886 216 HA LYS 27 HA LYS 27 -5.647 7.987 3.448 217 HB2 LYS 27 HB2 LYS 27 -3.843 5.787 3.138 218 HB3 LYS 27 HB3 LYS 27 -3.506 7.510 3.091 219 HG2 LYS 27 HG2 LYS 27 -3.741 5.894 5.596 220 HG3 LYS 27 HG3 LYS 27 -2.232 6.263 4.792 221 HD2 LYS 27 HD2 LYS 27 -4.176 8.202 5.994 222 HD3 LYS 27 HD3 LYS 27 -2.558 7.833 6.565 223 HE2 LYS 27 HE2 LYS 27 -1.994 8.571 4.047 224 HE3 LYS 27 HE3 LYS 27 -3.460 9.501 4.308 225 HZ1 LYS 27 HZ1 LYS 27 -2.496 10.551 6.208 226 HZ2 LYS 27 HZ2 LYS 27 -1.437 10.740 4.907 227 HZ3 LYS 27 HZ3 LYS 27 -1.105 9.601 6.108 228 H PHE 28 H PHE 28 -5.081 6.526 1.477 229 HA PHE 28 HA PHE 28 -6.721 4.137 1.340 230 HB2 PHE 28 HB2 PHE 28 -8.297 5.936 0.956 231 HB3 PHE 28 HB3 PHE 28 -7.256 6.630 -0.274 232 HD1 PHE 28 HD1 PHE 28 -7.238 5.858 -2.483 233 HD2 PHE 28 HD2 PHE 28 -9.424 3.719 0.477 234 HE1 PHE 28 HE1 PHE 28 -8.280 4.505 -4.238 235 HE2 PHE 28 HE2 PHE 28 -10.472 2.359 -1.286 236 HZ PHE 28 HZ PHE 28 -9.888 2.742 -3.654 237 H ILE 29 H ILE 29 -5.346 2.724 0.363 238 HA ILE 29 HA ILE 29 -4.006 3.611 -2.093 239 HB ILE 29 HB ILE 29 -4.011 0.872 -0.791 240 HG12 ILE 29 HG12 ILE 29 -1.448 1.546 -0.617 241 HG13 ILE 29 HG13 ILE 29 -2.106 3.173 -0.625 242 HG21 ILE 29 HG21 ILE 29 -3.760 0.724 -3.203 243 HG22 ILE 29 HG22 ILE 29 -2.254 0.297 -2.390 244 HG23 ILE 29 HG23 ILE 29 -2.426 1.878 -3.147 245 HD11 ILE 29 HD11 ILE 29 -1.720 2.217 1.638 246 HD12 ILE 29 HD12 ILE 29 -2.976 1.028 1.298 247 HD13 ILE 29 HD13 ILE 29 -3.378 2.745 1.350 248 H CYS 30 H CYS 30 -4.910 3.118 -4.109 249 HA CYS 30 HA CYS 30 -7.587 2.072 -4.116 250 HB2 CYS 30 HB2 CYS 30 -7.698 2.589 -6.364 251 HB3 CYS 30 HB3 CYS 30 -6.519 3.742 -5.800 252 H LEU 31 H LEU 31 -8.280 0.212 -5.110 253 HA LEU 31 HA LEU 31 -7.109 -1.991 -3.996 254 HB2 LEU 31 HB2 LEU 31 -8.878 -3.155 -4.901 255 HB3 LEU 31 HB3 LEU 31 -9.494 -1.555 -4.687 256 HG LEU 31 HG LEU 31 -8.782 -1.310 -7.225 257 HD11 LEU 31 HD11 LEU 31 -7.819 -3.539 -7.437 258 HD12 LEU 31 HD12 LEU 31 -9.231 -3.361 -8.479 259 HD13 LEU 31 HD13 LEU 31 -9.360 -4.260 -6.969 260 HD21 LEU 31 HD21 LEU 31 -11.008 -0.938 -6.397 261 HD22 LEU 31 HD22 LEU 31 -11.280 -2.674 -6.242 262 HD23 LEU 31 HD23 LEU 31 -11.084 -1.950 -7.839 263 H ASP 32 H ASP 32 -6.336 -0.506 -6.914 264 HA ASP 32 HA ASP 32 -5.455 -2.864 -8.336 265 HB2 ASP 32 HB2 ASP 32 -6.341 -0.598 -9.284 266 HB3 ASP 32 HB3 ASP 32 -4.692 -0.087 -9.039 267 H CYS 33 H CYS 33 -4.185 -0.183 -6.608 268 HA CYS 33 HA CYS 33 -1.438 -0.838 -6.875 269 HB2 CYS 33 HB2 CYS 33 -2.851 1.121 -5.100 270 HB3 CYS 33 HB3 CYS 33 -1.126 0.867 -5.075 271 H GLU 34 H GLU 34 -3.989 -1.443 -4.648 272 HA GLU 34 HA GLU 34 -2.549 -2.212 -2.426 273 HB2 GLU 34 HB2 GLU 34 -5.160 -1.979 -3.013 274 HB3 GLU 34 HB3 GLU 34 -5.023 -3.722 -3.023 275 HG2 GLU 34 HG2 GLU 34 -5.635 -3.185 -0.851 276 HG3 GLU 34 HG3 GLU 34 -3.915 -3.424 -0.757 277 H ARG 35 H ARG 35 -3.571 -4.084 -5.234 278 HA ARG 35 HA ARG 35 -2.238 -6.413 -4.261 279 HB2 ARG 35 HB2 ARG 35 -2.674 -7.392 -6.507 280 HB3 ARG 35 HB3 ARG 35 -4.111 -6.826 -5.675 281 HG2 ARG 35 HG2 ARG 35 -4.009 -4.766 -7.038 282 HG3 ARG 35 HG3 ARG 35 -2.675 -5.472 -7.936 283 HD2 ARG 35 HD2 ARG 35 -4.780 -5.771 -9.110 284 HD3 ARG 35 HD3 ARG 35 -4.117 -7.307 -8.581 285 HE ARG 35 HE ARG 35 -5.797 -6.645 -6.568 286 HH11 ARG 35 HH11 ARG 35 -6.181 -6.938 -10.029 287 HH12 ARG 35 HH12 ARG 35 -7.857 -7.366 -9.939 288 HH21 ARG 35 HH21 ARG 35 -8.012 -7.215 -6.439 289 HH22 ARG 35 HH22 ARG 35 -8.902 -7.514 -7.897 290 H LYS 36 H LYS 36 -1.267 -3.673 -6.031 291 HA LYS 36 HA LYS 36 0.838 -4.751 -7.561 292 HB2 LYS 36 HB2 LYS 36 0.577 -2.026 -6.395 293 HB3 LYS 36 HB3 LYS 36 1.748 -2.484 -7.601 294 HG2 LYS 36 HG2 LYS 36 -0.179 -2.983 -9.092 295 HG3 LYS 36 HG3 LYS 36 -1.224 -2.308 -7.901 296 HD2 LYS 36 HD2 LYS 36 -0.028 -0.261 -8.091 297 HD3 LYS 36 HD3 LYS 36 1.053 -0.934 -9.279 298 HE2 LYS 36 HE2 LYS 36 -1.926 -0.581 -9.560 299 HE3 LYS 36 HE3 LYS 36 -0.690 0.419 -10.313 300 HZ1 LYS 36 HZ1 LYS 36 -1.557 -1.223 -11.844 301 HZ2 LYS 36 HZ2 LYS 36 -1.093 -2.473 -10.809 302 HZ3 LYS 36 HZ3 LYS 36 0.082 -1.504 -11.539 303 H VAL 37 H VAL 37 0.496 -3.413 -4.413 304 HA VAL 37 HA VAL 37 3.145 -3.249 -3.676 305 HB VAL 37 HB VAL 37 2.381 -3.169 -1.398 306 HG11 VAL 37 HG11 VAL 37 0.328 -1.718 -3.045 307 HG12 VAL 37 HG12 VAL 37 2.018 -1.208 -2.962 308 HG13 VAL 37 HG13 VAL 37 1.029 -1.219 -1.503 309 HG21 VAL 37 HG21 VAL 37 -0.168 -3.296 -1.065 310 HG22 VAL 37 HG22 VAL 37 0.824 -4.753 -1.036 311 HG23 VAL 37 HG23 VAL 37 -0.104 -4.346 -2.492 312 H ILE 38 H ILE 38 0.839 -5.802 -3.142 313 HA ILE 38 HA ILE 38 2.366 -7.544 -1.584 314 HB ILE 38 HB ILE 38 0.351 -8.507 -3.591 315 HG12 ILE 38 HG12 ILE 38 -0.146 -6.901 -1.119 316 HG13 ILE 38 HG13 ILE 38 -0.805 -6.668 -2.718 317 HG21 ILE 38 HG21 ILE 38 1.136 -9.402 -0.841 318 HG22 ILE 38 HG22 ILE 38 1.405 -10.242 -2.364 319 HG23 ILE 38 HG23 ILE 38 -0.231 -10.061 -1.732 320 HD11 ILE 38 HD11 ILE 38 -1.491 -9.107 -1.143 321 HD12 ILE 38 HD12 ILE 38 -2.373 -8.349 -2.467 322 HD13 ILE 38 HD13 ILE 38 -2.335 -7.584 -0.878 323 H SER 39 H SER 39 2.049 -6.939 -4.940 324 HA SER 39 HA SER 39 3.382 -9.245 -5.803 325 HB2 SER 39 HB2 SER 39 2.779 -6.674 -7.258 326 HB3 SER 39 HB3 SER 39 3.226 -8.196 -7.997 327 HG SER 39 HG SER 39 0.892 -7.681 -6.480 328 H THR 40 H THR 40 4.256 -5.942 -5.143 329 HA THR 40 HA THR 40 6.892 -6.122 -6.279 330 HB THR 40 HB THR 40 5.653 -3.984 -4.543 331 HG1 THR 40 HG1 THR 40 4.461 -4.238 -6.446 332 HG21 THR 40 HG21 THR 40 7.328 -2.502 -5.509 333 HG22 THR 40 HG22 THR 40 8.021 -3.852 -6.410 334 HG23 THR 40 HG23 THR 40 8.094 -3.835 -4.647 335 H SER 41 H SER 41 5.474 -6.209 -3.048 336 HA SER 41 HA SER 41 7.879 -5.873 -1.603 337 HB2 SER 41 HB2 SER 41 6.517 -6.734 0.338 338 HB3 SER 41 HB3 SER 41 5.823 -5.354 -0.512 339 HG SER 41 HG SER 41 4.218 -6.556 -1.194 340 H THR 42 H THR 42 6.854 -8.498 -3.398 341 HA THR 42 HA THR 42 7.616 -10.654 -1.722 342 HB THR 42 HB THR 42 7.632 -11.980 -3.844 343 HG1 THR 42 HG1 THR 42 6.569 -9.862 -5.296 344 HG21 THR 42 HG21 THR 42 5.244 -11.710 -4.321 345 HG22 THR 42 HG22 THR 42 5.248 -10.167 -3.463 346 HG23 THR 42 HG23 THR 42 5.560 -11.666 -2.586 347 H SER 43 H SER 43 9.388 -8.439 -3.673 348 HA SER 43 HA SER 43 11.848 -9.807 -2.927 349 HB2 SER 43 HB2 SER 43 11.251 -8.907 -5.755 350 HB3 SER 43 HB3 SER 43 12.788 -9.557 -5.185 351 HG SER 43 HG SER 43 10.870 -11.253 -4.479 352 H ASP 44 H ASP 44 13.015 -8.378 -1.858 353 HA ASP 44 HA ASP 44 13.577 -5.829 -3.057 354 HB2 ASP 44 HB2 ASP 44 11.545 -5.314 -1.731 355 HB3 ASP 44 HB3 ASP 44 12.387 -5.821 -0.276 356 HA PRO 45 HA PRO 45 16.811 -6.704 0.304 357 HB2 PRO 45 HB2 PRO 45 16.114 -9.015 1.885 358 HB3 PRO 45 HB3 PRO 45 16.265 -7.354 2.421 359 HG2 PRO 45 HG2 PRO 45 13.950 -8.657 2.403 360 HG3 PRO 45 HG3 PRO 45 14.056 -6.912 2.190 361 HD2 PRO 45 HD2 PRO 45 13.778 -9.050 0.093 362 HD3 PRO 45 HD3 PRO 45 12.880 -7.529 0.253 363 H ASP 46 H ASP 46 18.592 -8.283 0.560 364 HA ASP 46 HA ASP 46 18.315 -10.773 -0.925 365 HB2 ASP 46 HB2 ASP 46 18.965 -9.204 -2.671 366 HB3 ASP 46 HB3 ASP 46 20.320 -8.642 -1.696 367 H TYR 47 H TYR 47 20.607 -8.615 0.736 368 HA TYR 47 HA TYR 47 21.679 -10.974 2.085 369 HB2 TYR 47 HB2 TYR 47 23.893 -9.755 2.099 370 HB3 TYR 47 HB3 TYR 47 23.375 -10.373 0.539 371 HD1 TYR 47 HD1 TYR 47 22.981 -8.908 -1.287 372 HD2 TYR 47 HD2 TYR 47 23.732 -7.322 2.581 373 HE1 TYR 47 HE1 TYR 47 23.273 -6.670 -2.270 374 HE2 TYR 47 HE2 TYR 47 24.024 -5.081 1.616 375 HH TYR 47 HH TYR 47 23.200 -4.365 -1.649 376 H ALA 48 H ALA 48 22.497 -10.599 4.182 377 HA ALA 48 HA ALA 48 21.798 -8.065 5.448 378 HB1 ALA 48 HB1 ALA 48 20.786 -10.728 6.443 379 HB2 ALA 48 HB2 ALA 48 19.808 -9.467 5.695 380 HB3 ALA 48 HB3 ALA 48 20.582 -9.176 7.253 381 H1 SER 0 H1 SER 0 -1.165 11.546 -3.290 382 H2 SER 0 H2 SER 0 -1.466 11.450 -1.616 383 H3 SER 0 H3 SER 0 -0.026 12.155 -2.181 384 HA SER 0 HA SER 0 -2.776 13.191 -2.556 385 HB2 SER 0 HB2 SER 0 -1.689 13.430 -0.272 386 HB3 SER 0 HB3 SER 0 -0.461 14.427 -1.050 387 HG SER 0 HG SER 0 -3.097 15.000 -0.423 388 H MET 1 H MET 1 0.696 13.926 -2.932 389 HA MET 1 HA MET 1 0.337 14.742 -5.643 390 HB2 MET 1 HB2 MET 1 -0.502 16.772 -4.516 391 HB3 MET 1 HB3 MET 1 1.012 16.901 -3.631 392 HG2 MET 1 HG2 MET 1 2.219 17.226 -5.719 393 HG3 MET 1 HG3 MET 1 0.714 17.066 -6.622 394 HE1 MET 1 HE1 MET 1 1.594 20.872 -6.980 395 HE2 MET 1 HE2 MET 1 1.268 19.366 -7.837 396 HE3 MET 1 HE3 MET 1 2.747 19.541 -6.892 397 H ASP 2 H ASP 2 2.539 15.713 -3.004 398 HA ASP 2 HA ASP 2 4.665 14.284 -4.443 399 HB2 ASP 2 HB2 ASP 2 6.288 15.867 -3.576 400 HB3 ASP 2 HB3 ASP 2 5.021 16.734 -4.429 401 H GLU 3 H GLU 3 5.346 12.549 -3.469 402 HA GLU 3 HA GLU 3 4.943 12.283 -0.567 403 HB2 GLU 3 HB2 GLU 3 5.240 10.044 -2.536 404 HB3 GLU 3 HB3 GLU 3 4.693 9.950 -0.868 405 HG2 GLU 3 HG2 GLU 3 3.236 11.188 -3.185 406 HG3 GLU 3 HG3 GLU 3 2.850 9.710 -2.338 407 H THR 4 H THR 4 7.262 13.406 -2.160 408 HA THR 4 HA THR 4 9.346 11.446 -1.453 409 HB THR 4 HB THR 4 10.628 12.396 -3.413 410 HG1 THR 4 HG1 THR 4 9.289 14.301 -3.646 411 HG21 THR 4 HG21 THR 4 9.395 11.076 -5.087 412 HG22 THR 4 HG22 THR 4 8.017 10.992 -3.988 413 HG23 THR 4 HG23 THR 4 9.543 10.223 -3.551 414 H VAL 5 H VAL 5 10.937 12.164 -0.165 415 HA VAL 5 HA VAL 5 11.563 15.033 -0.173 416 HB VAL 5 HB VAL 5 12.011 14.951 2.257 417 HG11 VAL 5 HG11 VAL 5 9.181 14.261 1.474 418 HG12 VAL 5 HG12 VAL 5 9.906 15.867 1.442 419 HG13 VAL 5 HG13 VAL 5 9.673 15.036 2.980 420 HG21 VAL 5 HG21 VAL 5 10.622 12.287 2.122 421 HG22 VAL 5 HG22 VAL 5 11.146 13.121 3.585 422 HG23 VAL 5 HG23 VAL 5 12.340 12.535 2.428 423 H LYS 6 H LYS 6 12.663 12.227 -1.053 424 HA LYS 6 HA LYS 6 14.693 11.436 -1.635 425 HB2 LYS 6 HB2 LYS 6 15.514 14.123 -0.663 426 HB3 LYS 6 HB3 LYS 6 16.738 12.939 -1.063 427 HG2 LYS 6 HG2 LYS 6 16.325 14.444 -2.917 428 HG3 LYS 6 HG3 LYS 6 15.852 12.801 -3.317 429 HD2 LYS 6 HD2 LYS 6 13.526 13.338 -2.977 430 HD3 LYS 6 HD3 LYS 6 13.947 14.951 -2.416 431 HE2 LYS 6 HE2 LYS 6 13.160 15.017 -4.707 432 HE3 LYS 6 HE3 LYS 6 14.858 15.461 -4.616 433 HZ1 LYS 6 HZ1 LYS 6 15.456 13.246 -5.350 434 HZ2 LYS 6 HZ2 LYS 6 14.421 13.974 -6.469 435 HZ3 LYS 6 HZ3 LYS 6 13.826 12.796 -5.414 436 H LEU 7 H LEU 7 16.705 10.533 -0.764 437 HA LEU 7 HA LEU 7 17.749 9.166 0.688 438 HB2 LEU 7 HB2 LEU 7 18.325 11.148 1.909 439 HB3 LEU 7 HB3 LEU 7 16.783 11.134 2.704 440 HG LEU 7 HG LEU 7 17.406 8.986 3.799 441 HD11 LEU 7 HD11 LEU 7 19.775 8.379 3.792 442 HD12 LEU 7 HD12 LEU 7 20.078 9.636 2.591 443 HD13 LEU 7 HD13 LEU 7 19.050 8.263 2.190 444 HD21 LEU 7 HD21 LEU 7 19.228 11.336 4.310 445 HD22 LEU 7 HD22 LEU 7 18.921 10.006 5.427 446 HD23 LEU 7 HD23 LEU 7 17.615 11.105 4.985 447 H ASN 8 H ASN 8 15.284 9.968 3.052 448 HA ASN 8 HA ASN 8 14.315 7.191 2.947 449 HB2 ASN 8 HB2 ASN 8 13.684 9.328 5.001 450 HB3 ASN 8 HB3 ASN 8 13.318 7.623 5.116 451 HD21 ASN 8 HD21 ASN 8 14.811 9.312 6.916 452 HD22 ASN 8 HD22 ASN 8 16.367 8.585 7.059 453 H HIS 9 H HIS 9 12.781 7.085 1.379 454 HA HIS 9 HA HIS 9 11.050 9.078 0.520 455 HB2 HIS 9 HB2 HIS 9 10.982 6.110 0.473 456 HB3 HIS 9 HB3 HIS 9 9.472 6.943 0.171 457 HD1 HIS 9 HD1 HIS 9 12.658 6.003 -1.421 458 HD2 HIS 9 HD2 HIS 9 9.457 8.533 -2.201 459 HE1 HIS 9 HE1 HIS 9 12.813 6.556 -3.867 460 HE2 HIS 9 HE2 HIS 9 10.774 7.949 -4.348 461 H THR 10 H THR 10 8.797 9.429 0.994 462 HA THR 10 HA THR 10 8.338 9.129 3.863 463 HB THR 10 HB THR 10 6.796 10.784 1.831 464 HG1 THR 10 HG1 THR 10 9.199 11.177 2.977 465 HG21 THR 10 HG21 THR 10 5.889 11.948 3.768 466 HG22 THR 10 HG22 THR 10 6.812 10.903 4.849 467 HG23 THR 10 HG23 THR 10 5.514 10.226 3.864 468 H CYS 11 H CYS 11 6.805 7.833 4.689 469 HA CYS 11 HA CYS 11 5.488 5.974 2.974 470 HB2 CYS 11 HB2 CYS 11 6.039 5.339 5.294 471 HB3 CYS 11 HB3 CYS 11 4.967 6.591 5.899 472 H VAL 12 H VAL 12 3.884 6.517 1.715 473 HA VAL 12 HA VAL 12 2.288 8.783 1.855 474 HB VAL 12 HB VAL 12 0.714 7.573 0.398 475 HG11 VAL 12 HG11 VAL 12 2.662 8.596 -0.610 476 HG12 VAL 12 HG12 VAL 12 2.262 7.088 -1.438 477 HG13 VAL 12 HG13 VAL 12 3.606 7.139 -0.296 478 HG21 VAL 12 HG21 VAL 12 1.171 5.265 -0.264 479 HG22 VAL 12 HG22 VAL 12 0.819 5.386 1.460 480 HG23 VAL 12 HG23 VAL 12 2.483 5.195 0.910 481 H ILE 13 H ILE 13 2.302 6.104 3.869 482 HA ILE 13 HA ILE 13 -0.478 6.308 4.613 483 HB ILE 13 HB ILE 13 1.496 4.415 5.794 484 HG12 ILE 13 HG12 ILE 13 1.487 4.275 3.291 485 HG13 ILE 13 HG13 ILE 13 1.006 2.811 4.129 486 HG21 ILE 13 HG21 ILE 13 -1.483 4.258 5.439 487 HG22 ILE 13 HG22 ILE 13 -0.641 4.645 6.940 488 HG23 ILE 13 HG23 ILE 13 -0.463 3.046 6.213 489 HD11 ILE 13 HD11 ILE 13 -0.357 3.336 2.169 490 HD12 ILE 13 HD12 ILE 13 -0.904 4.797 2.992 491 HD13 ILE 13 HD13 ILE 13 -1.276 3.212 3.670 492 H CYS 14 H CYS 14 2.667 6.163 6.194 493 HA CYS 14 HA CYS 14 1.605 7.050 8.714 494 HB2 CYS 14 HB2 CYS 14 4.386 6.499 7.806 495 HB3 CYS 14 HB3 CYS 14 3.978 6.874 9.453 496 H ASP 15 H ASP 15 2.927 8.510 5.957 497 HA ASP 15 HA ASP 15 3.715 10.532 5.378 498 HB2 ASP 15 HB2 ASP 15 2.264 11.352 7.869 499 HB3 ASP 15 HB3 ASP 15 2.962 12.471 6.714 500 H GLN 16 H GLN 16 5.439 8.889 6.782 501 HA GLN 16 HA GLN 16 7.180 10.810 8.152 502 HB2 GLN 16 HB2 GLN 16 7.106 7.839 8.702 503 HB3 GLN 16 HB3 GLN 16 7.999 9.060 9.580 504 HG2 GLN 16 HG2 GLN 16 5.039 8.774 9.499 505 HG3 GLN 16 HG3 GLN 16 6.078 8.303 10.823 506 HE21 GLN 16 HE21 GLN 16 3.874 10.166 10.802 507 HE22 GLN 16 HE22 GLN 16 4.524 11.670 11.335 508 H GLU 17 H GLU 17 9.503 10.041 8.019 509 HA GLU 17 HA GLU 17 10.017 9.385 5.233 510 HB2 GLU 17 HB2 GLU 17 11.865 10.545 7.313 511 HB3 GLU 17 HB3 GLU 17 12.225 10.343 5.605 512 HG2 GLU 17 HG2 GLU 17 10.642 11.942 4.963 513 HG3 GLU 17 HG3 GLU 17 9.902 11.947 6.556 514 H LYS 18 H LYS 18 10.192 7.382 4.907 515 HA LYS 18 HA LYS 18 12.020 5.752 6.529 516 HB2 LYS 18 HB2 LYS 18 10.178 4.012 5.322 517 HB3 LYS 18 HB3 LYS 18 10.407 4.309 7.018 518 HG2 LYS 18 HG2 LYS 18 8.572 5.936 5.315 519 HG3 LYS 18 HG3 LYS 18 8.072 4.497 6.196 520 HD2 LYS 18 HD2 LYS 18 9.052 7.106 7.292 521 HD3 LYS 18 HD3 LYS 18 7.506 6.341 7.541 522 HE2 LYS 18 HE2 LYS 18 10.126 5.592 8.681 523 HE3 LYS 18 HE3 LYS 18 8.693 6.078 9.542 524 HZ1 LYS 18 HZ1 LYS 18 9.104 3.691 9.705 525 HZ2 LYS 18 HZ2 LYS 18 8.989 3.538 8.027 526 HZ3 LYS 18 HZ3 LYS 18 7.639 4.014 8.929 527 H ASN 19 H ASN 19 13.489 4.604 5.419 528 HA ASN 19 HA ASN 19 13.452 4.891 2.524 529 HB2 ASN 19 HB2 ASN 19 15.486 5.593 3.449 530 HB3 ASN 19 HB3 ASN 19 15.572 4.213 4.505 531 HD21 ASN 19 HD21 ASN 19 16.126 5.446 1.339 532 HD22 ASN 19 HD22 ASN 19 17.046 4.071 0.738 533 H ARG 20 H ARG 20 12.487 2.648 4.805 534 HA ARG 20 HA ARG 20 12.922 0.420 2.934 535 HB2 ARG 20 HB2 ARG 20 12.547 0.333 5.909 536 HB3 ARG 20 HB3 ARG 20 12.580 -1.075 4.885 537 HG2 ARG 20 HG2 ARG 20 14.839 -0.563 4.212 538 HG3 ARG 20 HG3 ARG 20 14.807 0.889 5.203 539 HD2 ARG 20 HD2 ARG 20 14.465 -0.383 7.173 540 HD3 ARG 20 HD3 ARG 20 14.341 -1.826 6.211 541 HE ARG 20 HE ARG 20 16.781 -1.092 5.552 542 HH11 ARG 20 HH11 ARG 20 15.264 -1.090 8.709 543 HH12 ARG 20 HH12 ARG 20 16.759 -1.269 9.569 544 HH21 ARG 20 HH21 ARG 20 18.754 -1.312 6.683 545 HH22 ARG 20 HH22 ARG 20 18.745 -1.391 8.416 546 H GLY 21 H GLY 21 11.327 -0.535 2.038 547 HA2 GLY 21 HA2 GLY 21 8.828 -1.217 2.587 548 HA3 GLY 21 HA3 GLY 21 8.639 0.515 2.423 549 H ILE 22 H ILE 22 7.285 -0.063 0.322 550 HA ILE 22 HA ILE 22 9.232 -0.629 -1.814 551 HB ILE 22 HB ILE 22 7.728 -1.875 -3.018 552 HG12 ILE 22 HG12 ILE 22 5.534 -0.572 -1.447 553 HG13 ILE 22 HG13 ILE 22 6.031 -0.132 -3.046 554 HG21 ILE 22 HG21 ILE 22 8.145 -3.262 -1.169 555 HG22 ILE 22 HG22 ILE 22 6.390 -3.326 -1.381 556 HG23 ILE 22 HG23 ILE 22 7.092 -2.317 -0.118 557 HD11 ILE 22 HD11 ILE 22 4.897 -2.791 -2.276 558 HD12 ILE 22 HD12 ILE 22 5.295 -2.243 -3.907 559 HD13 ILE 22 HD13 ILE 22 3.991 -1.469 -3.010 560 H HIS 23 H HIS 23 7.873 0.066 -3.969 561 HA HIS 23 HA HIS 23 6.889 2.749 -3.651 562 HB2 HIS 23 HB2 HIS 23 8.629 3.800 -5.051 563 HB3 HIS 23 HB3 HIS 23 9.279 3.179 -3.554 564 HD1 HIS 23 HD1 HIS 23 9.689 3.031 -7.194 565 HD2 HIS 23 HD2 HIS 23 10.802 0.817 -3.890 566 HE1 HIS 23 HE1 HIS 23 11.542 1.535 -7.995 567 HE2 HIS 23 HE2 HIS 23 12.071 0.064 -6.020 568 H LEU 24 H LEU 24 5.153 2.706 -4.903 569 HA LEU 24 HA LEU 24 5.327 1.594 -7.585 570 HB2 LEU 24 HB2 LEU 24 2.903 2.669 -6.152 571 HB3 LEU 24 HB3 LEU 24 2.963 1.668 -7.545 572 HG LEU 24 HG LEU 24 3.871 0.683 -4.874 573 HD11 LEU 24 HD11 LEU 24 1.573 1.297 -4.622 574 HD12 LEU 24 HD12 LEU 24 1.658 -0.456 -4.791 575 HD13 LEU 24 HD13 LEU 24 1.151 0.539 -6.155 576 HD21 LEU 24 HD21 LEU 24 3.565 -1.507 -5.875 577 HD22 LEU 24 HD22 LEU 24 4.675 -0.545 -6.851 578 HD23 LEU 24 HD23 LEU 24 3.003 -0.766 -7.374 579 H TYR 25 H TYR 25 4.890 3.035 -9.338 580 HA TYR 25 HA TYR 25 4.809 5.042 -10.416 581 HB2 TYR 25 HB2 TYR 25 3.437 6.056 -7.949 582 HB3 TYR 25 HB3 TYR 25 3.369 6.788 -9.533 583 HD1 TYR 25 HD1 TYR 25 3.124 3.160 -9.274 584 HD2 TYR 25 HD2 TYR 25 0.845 6.758 -9.389 585 HE1 TYR 25 HE1 TYR 25 1.120 1.860 -9.722 586 HE2 TYR 25 HE2 TYR 25 -1.190 5.446 -9.854 587 HH TYR 25 HH TYR 25 -1.763 3.252 -10.830 588 H THR 26 H THR 26 4.827 7.374 -8.108 589 HA THR 26 HA THR 26 7.760 7.339 -7.898 590 HB THR 26 HB THR 26 7.198 9.279 -9.065 591 HG1 THR 26 HG1 THR 26 7.243 10.964 -7.158 592 HG21 THR 26 HG21 THR 26 4.996 9.803 -7.078 593 HG22 THR 26 HG22 THR 26 4.784 9.138 -8.699 594 HG23 THR 26 HG23 THR 26 5.384 10.787 -8.489 595 H LYS 27 H LYS 27 5.306 6.307 -6.147 596 HA LYS 27 HA LYS 27 5.681 7.884 -3.715 597 HB2 LYS 27 HB2 LYS 27 3.840 5.717 -3.391 598 HB3 LYS 27 HB3 LYS 27 3.535 7.447 -3.349 599 HG2 LYS 27 HG2 LYS 27 3.737 5.823 -5.849 600 HG3 LYS 27 HG3 LYS 27 2.241 6.215 -5.044 601 HD2 LYS 27 HD2 LYS 27 4.204 8.123 -6.253 602 HD3 LYS 27 HD3 LYS 27 2.577 7.779 -6.815 603 HE2 LYS 27 HE2 LYS 27 2.036 8.530 -4.297 604 HE3 LYS 27 HE3 LYS 27 3.519 9.433 -4.563 605 HZ1 LYS 27 HZ1 LYS 27 2.569 10.498 -6.464 606 HZ2 LYS 27 HZ2 LYS 27 1.518 10.708 -5.160 607 HZ3 LYS 27 HZ3 LYS 27 1.160 9.575 -6.357 608 H PHE 28 H PHE 28 5.097 6.440 -1.735 609 HA PHE 28 HA PHE 28 6.693 4.021 -1.602 610 HB2 PHE 28 HB2 PHE 28 8.303 5.788 -1.229 611 HB3 PHE 28 HB3 PHE 28 7.281 6.506 0.004 612 HD1 PHE 28 HD1 PHE 28 7.259 5.739 2.215 613 HD2 PHE 28 HD2 PHE 28 9.394 3.555 -0.750 614 HE1 PHE 28 HE1 PHE 28 8.283 4.372 3.969 615 HE2 PHE 28 HE2 PHE 28 10.425 2.180 1.011 616 HZ PHE 28 HZ PHE 28 9.858 2.578 3.382 617 H ILE 29 H ILE 29 5.287 2.636 -0.620 618 HA ILE 29 HA ILE 29 3.984 3.549 1.844 619 HB ILE 29 HB ILE 29 3.944 0.807 0.550 620 HG12 ILE 29 HG12 ILE 29 1.403 1.521 0.386 621 HG13 ILE 29 HG13 ILE 29 2.086 3.140 0.386 622 HG21 ILE 29 HG21 ILE 29 3.694 0.671 2.963 623 HG22 ILE 29 HG22 ILE 29 2.178 0.267 2.157 624 HG23 ILE 29 HG23 ILE 29 2.382 1.849 2.908 625 HD11 ILE 29 HD11 ILE 29 1.651 2.190 -1.861 626 HD12 ILE 29 HD12 ILE 29 2.892 0.978 -1.537 627 HD13 ILE 29 HD13 ILE 29 3.324 2.687 -1.597 628 H CYS 30 H CYS 30 4.889 3.045 3.856 629 HA CYS 30 HA CYS 30 7.548 1.952 3.856 630 HB2 CYS 30 HB2 CYS 30 7.673 2.475 6.102 631 HB3 CYS 30 HB3 CYS 30 6.511 3.646 5.539 632 H LEU 31 H LEU 31 8.212 0.083 4.852 633 HA LEU 31 HA LEU 31 6.996 -2.100 3.747 634 HB2 LEU 31 HB2 LEU 31 8.746 -3.296 4.648 635 HB3 LEU 31 HB3 LEU 31 9.391 -1.709 4.427 636 HG LEU 31 HG LEU 31 8.696 -1.444 6.967 637 HD11 LEU 31 HD11 LEU 31 7.692 -3.656 7.189 638 HD12 LEU 31 HD12 LEU 31 9.111 -3.500 8.225 639 HD13 LEU 31 HD13 LEU 31 9.217 -4.407 6.716 640 HD21 LEU 31 HD21 LEU 31 10.923 -1.120 6.126 641 HD22 LEU 31 HD22 LEU 31 11.161 -2.860 5.974 642 HD23 LEU 31 HD23 LEU 31 10.986 -2.130 7.569 643 H ASP 32 H ASP 32 6.260 -0.596 6.666 644 HA ASP 32 HA ASP 32 5.347 -2.934 8.097 645 HB2 ASP 32 HB2 ASP 32 6.280 -0.684 9.032 646 HB3 ASP 32 HB3 ASP 32 4.640 -0.140 8.792 647 H CYS 33 H CYS 33 4.112 -0.237 6.368 648 HA CYS 33 HA CYS 33 1.351 -0.842 6.644 649 HB2 CYS 33 HB2 CYS 33 2.797 1.088 4.860 650 HB3 CYS 33 HB3 CYS 33 1.066 0.865 4.845 651 H GLU 34 H GLU 34 3.888 -1.494 4.411 652 HA GLU 34 HA GLU 34 2.426 -2.244 2.197 653 HB2 GLU 34 HB2 GLU 34 5.041 -2.044 2.765 654 HB3 GLU 34 HB3 GLU 34 4.890 -3.782 2.789 655 HG2 GLU 34 HG2 GLU 34 5.487 -3.275 0.610 656 HG3 GLU 34 HG3 GLU 34 3.763 -3.484 0.528 657 H ARG 35 H ARG 35 3.427 -4.128 5.004 658 HA ARG 35 HA ARG 35 2.047 -6.434 4.042 659 HB2 ARG 35 HB2 ARG 35 2.476 -7.418 6.288 660 HB3 ARG 35 HB3 ARG 35 3.921 -6.882 5.447 661 HG2 ARG 35 HG2 ARG 35 3.862 -4.815 6.806 662 HG3 ARG 35 HG3 ARG 35 2.520 -5.493 7.711 663 HD2 ARG 35 HD2 ARG 35 4.622 -5.830 8.878 664 HD3 ARG 35 HD3 ARG 35 3.931 -7.356 8.354 665 HE ARG 35 HE ARG 35 5.617 -6.720 6.333 666 HH11 ARG 35 HH11 ARG 35 6.008 -7.028 9.795 667 HH12 ARG 35 HH12 ARG 35 7.675 -7.484 9.696 668 HH21 ARG 35 HH21 ARG 35 7.810 -7.319 6.191 669 HH22 ARG 35 HH22 ARG 35 8.707 -7.651 7.641 670 H LYS 36 H LYS 36 1.133 -3.673 5.810 671 HA LYS 36 HA LYS 36 -0.984 -4.710 7.353 672 HB2 LYS 36 HB2 LYS 36 -0.681 -1.992 6.180 673 HB3 LYS 36 HB3 LYS 36 -1.854 -2.425 7.391 674 HG2 LYS 36 HG2 LYS 36 0.071 -2.956 8.874 675 HG3 LYS 36 HG3 LYS 36 1.122 -2.302 7.677 676 HD2 LYS 36 HD2 LYS 36 -0.035 -0.236 7.869 677 HD3 LYS 36 HD3 LYS 36 -1.124 -0.886 9.062 678 HE2 LYS 36 HE2 LYS 36 1.862 -0.590 9.331 679 HE3 LYS 36 HE3 LYS 36 0.649 0.437 10.086 680 HZ1 LYS 36 HZ1 LYS 36 1.493 -1.218 11.617 681 HZ2 LYS 36 HZ2 LYS 36 0.997 -2.464 10.589 682 HZ3 LYS 36 HZ3 LYS 36 -0.154 -1.466 11.325 683 H VAL 37 H VAL 37 -0.632 -3.385 4.200 684 HA VAL 37 HA VAL 37 -3.282 -3.176 3.474 685 HB VAL 37 HB VAL 37 -2.527 -3.115 1.192 686 HG11 VAL 37 HG11 VAL 37 -0.440 -1.697 2.826 687 HG12 VAL 37 HG12 VAL 37 -2.122 -1.157 2.750 688 HG13 VAL 37 HG13 VAL 37 -1.140 -1.188 1.286 689 HG21 VAL 37 HG21 VAL 37 0.018 -3.290 0.847 690 HG22 VAL 37 HG22 VAL 37 -0.999 -4.728 0.828 691 HG23 VAL 37 HG23 VAL 37 -0.058 -4.333 2.278 692 H ILE 38 H ILE 38 -1.024 -5.772 2.935 693 HA ILE 38 HA ILE 38 -2.591 -7.490 1.389 694 HB ILE 38 HB ILE 38 -0.584 -8.484 3.387 695 HG12 ILE 38 HG12 ILE 38 -0.066 -6.893 0.911 696 HG13 ILE 38 HG13 ILE 38 0.601 -6.669 2.507 697 HG21 ILE 38 HG21 ILE 38 -1.393 -9.375 0.642 698 HG22 ILE 38 HG22 ILE 38 -1.675 -10.204 2.169 699 HG23 ILE 38 HG23 ILE 38 -0.037 -10.056 1.533 700 HD11 ILE 38 HD11 ILE 38 1.239 -9.123 0.937 701 HD12 ILE 38 HD12 ILE 38 2.139 -8.377 2.258 702 HD13 ILE 38 HD13 ILE 38 2.109 -7.617 0.665 703 H SER 39 H SER 39 -2.245 -6.882 4.742 704 HA SER 39 HA SER 39 -3.616 -9.163 5.615 705 HB2 SER 39 HB2 SER 39 -2.961 -6.601 7.062 706 HB3 SER 39 HB3 SER 39 -3.432 -8.112 7.806 707 HG SER 39 HG SER 39 -1.094 -7.645 6.276 708 H THR 40 H THR 40 -4.433 -5.848 4.951 709 HA THR 40 HA THR 40 -7.067 -5.973 6.101 710 HB THR 40 HB THR 40 -5.796 -3.862 4.356 711 HG1 THR 40 HG1 THR 40 -4.607 -4.138 6.261 712 HG21 THR 40 HG21 THR 40 -7.444 -2.348 5.322 713 HG22 THR 40 HG22 THR 40 -8.157 -3.684 6.227 714 HG23 THR 40 HG23 THR 40 -8.236 -3.670 4.465 715 H SER 41 H SER 41 -5.664 -6.098 2.863 716 HA SER 41 HA SER 41 -8.070 -5.718 1.429 717 HB2 SER 41 HB2 SER 41 -6.734 -6.606 -0.516 718 HB3 SER 41 HB3 SER 41 -6.009 -5.239 0.328 719 HG SER 41 HG SER 41 -4.426 -6.471 1.007 720 H THR 42 H THR 42 -7.087 -8.360 3.226 721 HA THR 42 HA THR 42 -7.895 -10.502 1.556 722 HB THR 42 HB THR 42 -7.921 -11.830 3.674 723 HG1 THR 42 HG1 THR 42 -6.826 -9.710 5.119 724 HG21 THR 42 HG21 THR 42 -5.526 -11.598 4.143 725 HG22 THR 42 HG22 THR 42 -5.508 -10.056 3.284 726 HG23 THR 42 HG23 THR 42 -5.848 -11.552 2.410 727 H SER 43 H SER 43 -9.614 -8.255 3.518 728 HA SER 43 HA SER 43 -12.105 -9.576 2.777 729 HB2 SER 43 HB2 SER 43 -11.482 -8.677 5.599 730 HB3 SER 43 HB3 SER 43 -13.032 -9.302 5.036 731 HG SER 43 HG SER 43 -11.140 -11.034 4.336 732 H ASP 44 H ASP 44 -13.253 -8.129 1.710 733 HA ASP 44 HA ASP 44 -13.760 -5.567 2.906 734 HB2 ASP 44 HB2 ASP 44 -11.724 -5.095 1.569 735 HB3 ASP 44 HB3 ASP 44 -12.582 -5.589 0.118 736 HA PRO 45 HA PRO 45 -17.023 -6.394 -0.439 737 HB2 PRO 45 HB2 PRO 45 -16.374 -8.717 -2.018 738 HB3 PRO 45 HB3 PRO 45 -16.495 -7.055 -2.558 739 HG2 PRO 45 HG2 PRO 45 -14.207 -8.403 -2.545 740 HG3 PRO 45 HG3 PRO 45 -14.276 -6.656 -2.333 741 HD2 PRO 45 HD2 PRO 45 -14.035 -8.798 -0.230 742 HD3 PRO 45 HD3 PRO 45 -13.106 -7.294 -0.399 743 H ASP 46 H ASP 46 -18.836 -7.936 -0.682 744 HA ASP 46 HA ASP 46 -18.594 -10.431 0.801 745 HB2 ASP 46 HB2 ASP 46 -19.205 -8.846 2.548 746 HB3 ASP 46 HB3 ASP 46 -20.555 -8.262 1.579 747 H TYR 47 H TYR 47 -20.858 -8.236 -0.848 748 HA TYR 47 HA TYR 47 -21.978 -10.577 -2.188 749 HB2 TYR 47 HB2 TYR 47 -24.167 -9.319 -2.195 750 HB3 TYR 47 HB3 TYR 47 -23.655 -9.943 -0.635 751 HD1 TYR 47 HD1 TYR 47 -23.226 -8.482 1.186 752 HD2 TYR 47 HD2 TYR 47 -23.968 -6.889 -2.682 753 HE1 TYR 47 HE1 TYR 47 -23.469 -6.238 2.165 754 HE2 TYR 47 HE2 TYR 47 -24.214 -4.640 -1.719 755 HH TYR 47 HH TYR 47 -23.364 -3.944 1.558 756 H ALA 48 H ALA 48 -22.804 -10.191 -4.282 757 HA ALA 48 HA ALA 48 -22.059 -7.676 -5.561 758 HB1 ALA 48 HB1 ALA 48 -21.096 -10.359 -6.551 759 HB2 ALA 48 HB2 ALA 48 -20.093 -9.114 -5.810 760 HB3 ALA 48 HB3 ALA 48 -20.868 -8.812 -7.364
Contact the webmaster for help, if required. Friday, July 5, 2024 12:31:05 AM GMT (wattos1)