NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
565433 | 2ma4 | 19327 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 22 H1 ALA 22 0.321 2.180 8.700 2 H2 ALA 22 H2 ALA 22 -0.511 3.638 8.519 3 H3 ALA 22 H3 ALA 22 1.125 3.538 8.103 4 HA ALA 22 HA ALA 22 -0.309 3.552 6.168 5 HB1 ALA 22 HB1 ALA 22 1.896 2.449 6.104 6 HB2 ALA 22 HB2 ALA 22 0.740 1.635 5.053 7 HB3 ALA 22 HB3 ALA 22 1.155 0.929 6.616 8 H GLU 23 H GLU 23 -2.081 2.647 5.020 9 HA GLU 23 HA GLU 23 -3.764 0.663 6.489 10 HB2 GLU 23 HB2 GLU 23 -5.753 1.870 5.704 11 HB3 GLU 23 HB3 GLU 23 -4.707 2.956 6.611 12 HG2 GLU 23 HG2 GLU 23 -3.861 3.923 4.501 13 HG3 GLU 23 HG3 GLU 23 -4.890 2.827 3.578 14 H ILE 24 H ILE 24 -5.002 -0.785 5.197 15 HA ILE 24 HA ILE 24 -3.901 -1.347 2.532 16 HB ILE 24 HB ILE 24 -5.774 -2.937 4.358 17 HG12 ILE 24 HG12 ILE 24 -3.373 -2.864 5.040 18 HG13 ILE 24 HG13 ILE 24 -3.892 -4.484 4.602 19 HG21 ILE 24 HG21 ILE 24 -5.574 -4.814 2.732 20 HG22 ILE 24 HG22 ILE 24 -4.744 -3.738 1.606 21 HG23 ILE 24 HG23 ILE 24 -6.420 -3.424 2.053 22 HD11 ILE 24 HD11 ILE 24 -2.270 -2.634 2.851 23 HD12 ILE 24 HD12 ILE 24 -2.755 -4.282 2.455 24 HD13 ILE 24 HD13 ILE 24 -1.643 -3.989 3.792 25 H MET 25 H MET 25 -4.839 -0.394 0.853 26 HA MET 25 HA MET 25 -7.752 -0.744 0.471 27 HB2 MET 25 HB2 MET 25 -6.159 1.722 -0.391 28 HB3 MET 25 HB3 MET 25 -7.792 1.359 -0.931 29 HG2 MET 25 HG2 MET 25 -8.472 1.431 1.531 30 HG3 MET 25 HG3 MET 25 -6.888 2.136 1.843 31 HE1 MET 25 HE1 MET 25 -7.155 5.465 -0.325 32 HE2 MET 25 HE2 MET 25 -6.546 3.911 -0.897 33 HE3 MET 25 HE3 MET 25 -6.099 4.499 0.706 34 H LYS 26 H LYS 26 -8.326 -1.196 -1.767 35 HA LYS 26 HA LYS 26 -6.191 -2.347 -3.393 36 HB2 LYS 26 HB2 LYS 26 -9.098 -1.913 -4.213 37 HB3 LYS 26 HB3 LYS 26 -7.923 -2.969 -4.979 38 HG2 LYS 26 HG2 LYS 26 -7.921 -4.324 -2.804 39 HG3 LYS 26 HG3 LYS 26 -9.322 -3.359 -2.330 40 HD2 LYS 26 HD2 LYS 26 -10.254 -4.120 -4.726 41 HD3 LYS 26 HD3 LYS 26 -9.083 -5.423 -4.524 42 HE2 LYS 26 HE2 LYS 26 -11.263 -6.161 -3.752 43 HE3 LYS 26 HE3 LYS 26 -10.186 -6.021 -2.362 44 HZ1 LYS 26 HZ1 LYS 26 -12.135 -3.937 -3.191 45 HZ2 LYS 26 HZ2 LYS 26 -11.199 -3.945 -1.781 46 HZ3 LYS 26 HZ3 LYS 26 -12.424 -5.088 -1.989 47 H LYS 27 H LYS 27 -6.258 -1.713 -5.842 48 HA LYS 27 HA LYS 27 -5.531 1.020 -6.115 49 HB2 LYS 27 HB2 LYS 27 -4.638 -0.905 -7.487 50 HB3 LYS 27 HB3 LYS 27 -6.167 -0.963 -8.350 51 HG2 LYS 27 HG2 LYS 27 -4.551 1.595 -8.306 52 HG3 LYS 27 HG3 LYS 27 -4.099 0.284 -9.390 53 HD2 LYS 27 HD2 LYS 27 -6.274 0.388 -10.509 54 HD3 LYS 27 HD3 LYS 27 -6.848 1.600 -9.362 55 HE2 LYS 27 HE2 LYS 27 -5.163 3.197 -10.207 56 HE3 LYS 27 HE3 LYS 27 -4.567 1.979 -11.337 57 HZ1 LYS 27 HZ1 LYS 27 -6.735 1.973 -12.405 58 HZ2 LYS 27 HZ2 LYS 27 -6.064 3.526 -12.407 59 HZ3 LYS 27 HZ3 LYS 27 -7.298 3.141 -11.318 60 H THR 28 H THR 28 -8.498 -0.770 -6.813 61 HA THR 28 HA THR 28 -9.930 1.176 -8.250 62 HB THR 28 HB THR 28 -11.080 -0.938 -6.373 63 HG1 THR 28 HG1 THR 28 -10.859 -2.352 -8.061 64 HG21 THR 28 HG21 THR 28 -13.019 -0.934 -7.898 65 HG22 THR 28 HG22 THR 28 -12.268 0.322 -8.885 66 HG23 THR 28 HG23 THR 28 -12.773 0.682 -7.233 67 H ASP 29 H ASP 29 -9.589 0.652 -4.757 68 HA ASP 29 HA ASP 29 -11.480 2.659 -3.926 69 HB2 ASP 29 HB2 ASP 29 -9.185 1.422 -2.337 70 HB3 ASP 29 HB3 ASP 29 -10.539 2.327 -1.665 71 H PHE 30 H PHE 30 -7.950 2.469 -4.148 72 HA PHE 30 HA PHE 30 -7.366 5.016 -3.061 73 HB2 PHE 30 HB2 PHE 30 -5.692 3.274 -3.015 74 HB3 PHE 30 HB3 PHE 30 -5.720 3.118 -4.772 75 HD1 PHE 30 HD1 PHE 30 -4.874 5.494 -2.014 76 HD2 PHE 30 HD2 PHE 30 -4.255 4.445 -6.117 77 HE1 PHE 30 HE1 PHE 30 -3.133 7.197 -2.197 78 HE2 PHE 30 HE2 PHE 30 -2.509 6.158 -6.285 79 HZ PHE 30 HZ PHE 30 -1.950 7.532 -4.323 80 H ASP 31 H ASP 31 -8.042 3.982 -6.335 81 HA ASP 31 HA ASP 31 -6.736 5.818 -7.934 82 HB2 ASP 31 HB2 ASP 31 -7.990 3.835 -8.760 83 HB3 ASP 31 HB3 ASP 31 -9.506 4.618 -8.348 84 H LYS 32 H LYS 32 -9.827 6.190 -6.292 85 HA LYS 32 HA LYS 32 -10.856 8.532 -7.419 86 HB2 LYS 32 HB2 LYS 32 -11.135 7.660 -4.511 87 HB3 LYS 32 HB3 LYS 32 -12.236 8.708 -5.401 88 HG2 LYS 32 HG2 LYS 32 -12.823 6.805 -6.888 89 HG3 LYS 32 HG3 LYS 32 -11.748 5.764 -5.950 90 HD2 LYS 32 HD2 LYS 32 -13.129 6.206 -3.917 91 HD3 LYS 32 HD3 LYS 32 -14.232 7.180 -4.894 92 HE2 LYS 32 HE2 LYS 32 -15.147 4.939 -4.559 93 HE3 LYS 32 HE3 LYS 32 -14.761 5.177 -6.264 94 HZ1 LYS 32 HZ1 LYS 32 -12.713 3.927 -5.916 95 HZ2 LYS 32 HZ2 LYS 32 -14.070 3.009 -5.499 96 HZ3 LYS 32 HZ3 LYS 32 -13.108 3.700 -4.287 97 H VAL 33 H VAL 33 -8.375 8.138 -4.959 98 HA VAL 33 HA VAL 33 -8.132 11.081 -4.585 99 HB VAL 33 HB VAL 33 -7.238 10.586 -2.303 100 HG11 VAL 33 HG11 VAL 33 -9.979 9.350 -2.800 101 HG12 VAL 33 HG12 VAL 33 -9.649 11.059 -2.515 102 HG13 VAL 33 HG13 VAL 33 -9.370 9.884 -1.232 103 HG21 VAL 33 HG21 VAL 33 -7.441 8.300 -1.342 104 HG22 VAL 33 HG22 VAL 33 -6.317 8.327 -2.700 105 HG23 VAL 33 HG23 VAL 33 -7.946 7.682 -2.917 106 H ALA 34 H ALA 34 -6.793 9.090 -6.560 107 HA ALA 34 HA ALA 34 -4.185 8.457 -5.875 108 HB1 ALA 34 HB1 ALA 34 -5.150 9.276 -8.629 109 HB2 ALA 34 HB2 ALA 34 -5.299 7.669 -7.918 110 HB3 ALA 34 HB3 ALA 34 -3.702 8.328 -8.276 111 H SER 35 H SER 35 -5.274 11.520 -7.331 112 HA SER 35 HA SER 35 -2.715 12.696 -7.709 113 HB2 SER 35 HB2 SER 35 -4.020 14.790 -8.102 114 HB3 SER 35 HB3 SER 35 -4.659 13.415 -8.997 115 HG SER 35 HG SER 35 -5.736 14.770 -6.793 116 H GLU 36 H GLU 36 -4.545 12.264 -4.833 117 HA GLU 36 HA GLU 36 -3.497 14.618 -3.440 118 HB2 GLU 36 HB2 GLU 36 -5.038 12.256 -2.290 119 HB3 GLU 36 HB3 GLU 36 -4.824 13.839 -1.552 120 HG2 GLU 36 HG2 GLU 36 -6.466 13.172 -4.009 121 HG3 GLU 36 HG3 GLU 36 -7.076 13.646 -2.425 122 H TYR 37 H TYR 37 -2.267 11.597 -4.286 123 HA TYR 37 HA TYR 37 -0.391 11.492 -1.980 124 HB2 TYR 37 HB2 TYR 37 -1.765 9.131 -3.342 125 HB3 TYR 37 HB3 TYR 37 -0.452 8.977 -2.173 126 HD1 TYR 37 HD2 TYR 37 -4.019 9.986 -2.582 127 HD2 TYR 37 HD1 TYR 37 -0.882 9.238 0.210 128 HE1 TYR 37 HE2 TYR 37 -5.633 10.076 -0.742 129 HE2 TYR 37 HE1 TYR 37 -2.497 9.352 2.047 130 HH TYR 37 HH TYR 37 -5.822 9.192 1.587 131 H THR 38 H THR 38 1.504 9.925 -2.572 132 HA THR 38 HA THR 38 2.421 10.289 -5.345 133 HB THR 38 HB THR 38 3.199 12.299 -4.090 134 HG1 THR 38 HG1 THR 38 4.502 11.316 -5.791 135 HG21 THR 38 HG21 THR 38 3.410 11.344 -1.829 136 HG22 THR 38 HG22 THR 38 4.891 12.157 -2.334 137 HG23 THR 38 HG23 THR 38 4.805 10.395 -2.356 138 H LYS 39 H LYS 39 3.496 8.524 -6.081 139 HA LYS 39 HA LYS 39 3.681 6.157 -4.448 140 HB2 LYS 39 HB2 LYS 39 2.969 6.035 -6.785 141 HB3 LYS 39 HB3 LYS 39 4.494 6.718 -7.333 142 HG2 LYS 39 HG2 LYS 39 5.686 4.696 -6.595 143 HG3 LYS 39 HG3 LYS 39 4.178 4.020 -5.968 144 HD2 LYS 39 HD2 LYS 39 3.242 3.818 -8.184 145 HD3 LYS 39 HD3 LYS 39 4.545 4.777 -8.893 146 HE2 LYS 39 HE2 LYS 39 4.916 2.052 -7.601 147 HE3 LYS 39 HE3 LYS 39 4.776 2.336 -9.336 148 HZ1 LYS 39 HZ1 LYS 39 6.912 3.372 -7.556 149 HZ2 LYS 39 HZ2 LYS 39 6.774 3.719 -9.202 150 HZ3 LYS 39 HZ3 LYS 39 7.069 2.134 -8.696 151 H ILE 40 H ILE 40 5.334 5.830 -3.079 152 HA ILE 40 HA ILE 40 7.979 7.034 -3.605 153 HB ILE 40 HB ILE 40 8.490 6.669 -1.227 154 HG12 ILE 40 HG12 ILE 40 5.628 5.662 -0.859 155 HG13 ILE 40 HG13 ILE 40 7.018 4.592 -0.955 156 HG21 ILE 40 HG21 ILE 40 5.829 8.096 -1.639 157 HG22 ILE 40 HG22 ILE 40 7.434 8.791 -1.875 158 HG23 ILE 40 HG23 ILE 40 6.912 8.316 -0.260 159 HD11 ILE 40 HD11 ILE 40 6.540 6.683 1.161 160 HD12 ILE 40 HD12 ILE 40 7.937 5.607 1.076 161 HD13 ILE 40 HD13 ILE 40 6.322 4.944 1.333 162 H GLY 41 H GLY 41 6.454 4.041 -3.976 163 HA2 GLY 41 HA2 GLY 41 8.567 2.655 -5.022 164 HA3 GLY 41 HA3 GLY 41 8.681 2.311 -3.297 165 H THR 42 H THR 42 8.417 0.121 -4.538 166 HA THR 42 HA THR 42 5.589 -0.687 -4.117 167 HB THR 42 HB THR 42 7.504 -2.271 -5.913 168 HG1 THR 42 HG1 THR 42 5.636 -0.232 -6.639 169 HG21 THR 42 HG21 THR 42 4.463 -2.238 -5.685 170 HG22 THR 42 HG22 THR 42 5.528 -3.489 -5.040 171 HG23 THR 42 HG23 THR 42 5.405 -3.251 -6.783 172 H ILE 43 H ILE 43 5.301 -2.257 -2.634 173 HA ILE 43 HA ILE 43 7.613 -3.724 -1.506 174 HB ILE 43 HB ILE 43 6.177 -4.104 0.509 175 HG12 ILE 43 HG12 ILE 43 4.233 -2.186 -0.868 176 HG13 ILE 43 HG13 ILE 43 3.951 -3.903 -0.603 177 HG21 ILE 43 HG21 ILE 43 6.331 -1.822 1.451 178 HG22 ILE 43 HG22 ILE 43 6.527 -1.151 -0.169 179 HG23 ILE 43 HG23 ILE 43 7.768 -2.209 0.502 180 HD11 ILE 43 HD11 ILE 43 2.729 -2.593 0.969 181 HD12 ILE 43 HD12 ILE 43 4.194 -1.770 1.495 182 HD13 ILE 43 HD13 ILE 43 3.983 -3.493 1.819 183 H SER 44 H SER 44 7.301 -5.958 -1.049 184 HA SER 44 HA SER 44 5.007 -7.345 -2.236 185 HB2 SER 44 HB2 SER 44 7.893 -7.979 -3.029 186 HB3 SER 44 HB3 SER 44 6.457 -8.862 -3.548 187 HG SER 44 HG SER 44 5.944 -6.415 -4.205 188 H THR 45 H THR 45 4.445 -9.105 -1.014 189 HA THR 45 HA THR 45 5.899 -9.906 1.322 190 HB THR 45 HB THR 45 4.234 -11.844 1.332 191 HG1 THR 45 HG1 THR 45 2.797 -12.024 -0.289 192 HG21 THR 45 HG21 THR 45 2.956 -9.103 1.032 193 HG22 THR 45 HG22 THR 45 3.682 -9.729 2.514 194 HG23 THR 45 HG23 THR 45 2.247 -10.502 1.839 195 H THR 46 H THR 46 6.955 -11.959 1.641 196 HA THR 46 HA THR 46 8.742 -12.806 -0.330 197 HB THR 46 HB THR 46 9.115 -13.154 2.091 198 HG1 THR 46 HG1 THR 46 9.798 -15.450 1.864 199 HG21 THR 46 HG21 THR 46 7.048 -15.377 1.903 200 HG22 THR 46 HG22 THR 46 6.842 -13.861 2.785 201 HG23 THR 46 HG23 THR 46 8.063 -15.029 3.302 202 H GLY 47 H GLY 47 5.494 -13.940 0.426 203 HA2 GLY 47 HA2 GLY 47 5.055 -14.875 -2.220 204 HA3 GLY 47 HA3 GLY 47 5.230 -16.241 -1.116 205 H GLU 48 H GLU 48 2.892 -16.276 -2.177 206 HA GLU 48 HA GLU 48 0.864 -14.768 -0.813 207 HB2 GLU 48 HB2 GLU 48 -0.703 -16.495 -1.834 208 HB3 GLU 48 HB3 GLU 48 0.295 -15.608 -2.982 209 HG2 GLU 48 HG2 GLU 48 1.802 -17.517 -3.219 210 HG3 GLU 48 HG3 GLU 48 0.912 -18.413 -1.990 211 H MET 49 H MET 49 1.460 -15.001 1.371 212 HA MET 49 HA MET 49 1.752 -17.554 2.653 213 HB2 MET 49 HB2 MET 49 1.514 -14.754 3.834 214 HB3 MET 49 HB3 MET 49 1.973 -16.192 4.736 215 HG2 MET 49 HG2 MET 49 4.013 -16.415 3.450 216 HG3 MET 49 HG3 MET 49 3.544 -15.092 2.386 217 HE1 MET 49 HE1 MET 49 2.383 -12.938 4.468 218 HE2 MET 49 HE2 MET 49 3.484 -12.550 3.143 219 HE3 MET 49 HE3 MET 49 3.845 -12.004 4.781 220 H SER 50 H SER 50 -0.376 -15.082 4.055 221 HA SER 50 HA SER 50 -2.791 -16.680 3.474 222 HB2 SER 50 HB2 SER 50 -2.081 -15.450 6.176 223 HB3 SER 50 HB3 SER 50 -3.601 -16.258 5.796 224 HG SER 50 HG SER 50 -1.425 -17.800 5.189 225 HA PRO 51 HA PRO 51 -4.445 -12.927 1.848 226 HB2 PRO 51 HB2 PRO 51 -7.035 -12.698 2.833 227 HB3 PRO 51 HB3 PRO 51 -6.558 -13.873 1.589 228 HG2 PRO 51 HG2 PRO 51 -6.854 -14.280 4.551 229 HG3 PRO 51 HG3 PRO 51 -7.432 -15.306 3.215 230 HD2 PRO 51 HD2 PRO 51 -5.198 -15.938 4.566 231 HD3 PRO 51 HD3 PRO 51 -5.296 -16.200 2.808 232 H LEU 52 H LEU 52 -5.568 -12.942 5.270 233 HA LEU 52 HA LEU 52 -5.476 -10.079 5.546 234 HB2 LEU 52 HB2 LEU 52 -7.074 -11.496 6.804 235 HB3 LEU 52 HB3 LEU 52 -5.745 -12.285 7.632 236 HG LEU 52 HG LEU 52 -5.167 -10.087 8.716 237 HD11 LEU 52 HD11 LEU 52 -6.106 -8.545 7.083 238 HD12 LEU 52 HD12 LEU 52 -6.789 -8.243 8.678 239 HD13 LEU 52 HD13 LEU 52 -7.741 -9.098 7.460 240 HD21 LEU 52 HD21 LEU 52 -8.003 -11.049 9.243 241 HD22 LEU 52 HD22 LEU 52 -7.007 -10.097 10.348 242 HD23 LEU 52 HD23 LEU 52 -6.528 -11.739 9.926 243 H ASP 53 H ASP 53 -3.366 -12.782 6.415 244 HA ASP 53 HA ASP 53 -1.459 -11.402 7.984 245 HB2 ASP 53 HB2 ASP 53 -1.555 -13.820 8.022 246 HB3 ASP 53 HB3 ASP 53 -1.246 -13.916 6.298 247 H ALA 54 H ALA 54 -1.691 -11.901 4.489 248 HA ALA 54 HA ALA 54 0.822 -10.858 3.711 249 HB1 ALA 54 HB1 ALA 54 -0.593 -12.169 2.167 250 HB2 ALA 54 HB2 ALA 54 -0.170 -10.609 1.459 251 HB3 ALA 54 HB3 ALA 54 -1.783 -10.868 2.133 252 H ARG 55 H ARG 55 -2.372 -9.379 4.153 253 HA ARG 55 HA ARG 55 -1.857 -6.723 3.480 254 HB2 ARG 55 HB2 ARG 55 -3.644 -7.804 5.687 255 HB3 ARG 55 HB3 ARG 55 -3.645 -6.130 5.146 256 HG2 ARG 55 HG2 ARG 55 -4.419 -6.843 2.910 257 HG3 ARG 55 HG3 ARG 55 -4.428 -8.530 3.456 258 HD2 ARG 55 HD2 ARG 55 -6.061 -7.956 5.217 259 HD3 ARG 55 HD3 ARG 55 -6.050 -6.272 4.687 260 HE ARG 55 HE ARG 55 -6.799 -7.743 2.488 261 HH11 ARG 55 HH11 ARG 55 -8.052 -7.182 5.729 262 HH12 ARG 55 HH12 ARG 55 -9.707 -7.425 5.259 263 HH21 ARG 55 HH21 ARG 55 -8.998 -8.113 1.925 264 HH22 ARG 55 HH22 ARG 55 -10.232 -7.947 3.129 265 H GLU 56 H GLU 56 -1.505 -8.336 6.656 266 HA GLU 56 HA GLU 56 -0.741 -6.052 8.149 267 HB2 GLU 56 HB2 GLU 56 -0.062 -8.956 8.778 268 HB3 GLU 56 HB3 GLU 56 -0.148 -7.629 9.928 269 HG2 GLU 56 HG2 GLU 56 -2.452 -8.890 8.433 270 HG3 GLU 56 HG3 GLU 56 -2.097 -9.057 10.144 271 H ASP 57 H ASP 57 1.120 -8.545 6.494 272 HA ASP 57 HA ASP 57 3.717 -7.775 7.363 273 HB2 ASP 57 HB2 ASP 57 3.097 -10.036 6.457 274 HB3 ASP 57 HB3 ASP 57 2.906 -9.321 4.860 275 H LEU 58 H LEU 58 1.737 -6.949 4.540 276 HA LEU 58 HA LEU 58 3.675 -5.237 3.299 277 HB2 LEU 58 HB2 LEU 58 0.674 -5.501 2.922 278 HB3 LEU 58 HB3 LEU 58 1.675 -4.427 1.953 279 HG LEU 58 HG LEU 58 1.978 -7.458 2.084 280 HD11 LEU 58 HD11 LEU 58 0.860 -5.753 -0.149 281 HD12 LEU 58 HD12 LEU 58 -0.047 -6.856 0.889 282 HD13 LEU 58 HD13 LEU 58 1.164 -7.492 -0.220 283 HD21 LEU 58 HD21 LEU 58 3.591 -7.249 0.256 284 HD22 LEU 58 HD22 LEU 58 4.142 -6.349 1.667 285 HD23 LEU 58 HD23 LEU 58 3.441 -5.490 0.295 286 H ILE 59 H ILE 59 1.105 -4.659 5.707 287 HA ILE 59 HA ILE 59 1.344 -1.808 5.753 288 HB ILE 59 HB ILE 59 0.462 -3.709 7.989 289 HG12 ILE 59 HG12 ILE 59 -1.219 -1.976 6.112 290 HG13 ILE 59 HG13 ILE 59 -0.994 -3.713 5.944 291 HG21 ILE 59 HG21 ILE 59 -0.544 -1.711 9.092 292 HG22 ILE 59 HG22 ILE 59 0.183 -0.670 7.865 293 HG23 ILE 59 HG23 ILE 59 1.211 -1.577 8.974 294 HD11 ILE 59 HD11 ILE 59 -3.140 -3.218 6.920 295 HD12 ILE 59 HD12 ILE 59 -2.379 -2.308 8.224 296 HD13 ILE 59 HD13 ILE 59 -2.131 -4.053 8.102 297 H LYS 60 H LYS 60 3.004 -4.444 7.464 298 HA LYS 60 HA LYS 60 4.681 -3.005 9.172 299 HB2 LYS 60 HB2 LYS 60 5.018 -5.641 7.711 300 HB3 LYS 60 HB3 LYS 60 6.316 -5.017 8.717 301 HG2 LYS 60 HG2 LYS 60 5.086 -5.277 10.698 302 HG3 LYS 60 HG3 LYS 60 3.542 -5.363 9.846 303 HD2 LYS 60 HD2 LYS 60 4.241 -7.575 10.740 304 HD3 LYS 60 HD3 LYS 60 4.071 -7.587 8.987 305 HE2 LYS 60 HE2 LYS 60 6.586 -7.303 8.836 306 HE3 LYS 60 HE3 LYS 60 6.654 -7.527 10.586 307 HZ1 LYS 60 HZ1 LYS 60 5.648 -9.465 8.581 308 HZ2 LYS 60 HZ2 LYS 60 5.580 -9.697 10.258 309 HZ3 LYS 60 HZ3 LYS 60 7.075 -9.588 9.481 310 H LYS 61 H LYS 61 5.380 -4.138 5.828 311 HA LYS 61 HA LYS 61 7.911 -2.903 5.575 312 HB2 LYS 61 HB2 LYS 61 5.937 -3.432 3.313 313 HB3 LYS 61 HB3 LYS 61 7.683 -3.246 3.155 314 HG2 LYS 61 HG2 LYS 61 8.022 -5.319 4.444 315 HG3 LYS 61 HG3 LYS 61 6.278 -5.481 4.628 316 HD2 LYS 61 HD2 LYS 61 6.231 -5.475 2.007 317 HD3 LYS 61 HD3 LYS 61 7.956 -5.836 2.139 318 HE2 LYS 61 HE2 LYS 61 5.635 -7.476 3.200 319 HE3 LYS 61 HE3 LYS 61 6.774 -7.927 1.935 320 HZ1 LYS 61 HZ1 LYS 61 8.530 -7.964 3.621 321 HZ2 LYS 61 HZ2 LYS 61 7.284 -9.050 3.983 322 HZ3 LYS 61 HZ3 LYS 61 7.400 -7.586 4.822 323 H ALA 62 H ALA 62 4.729 -1.768 4.465 324 HA ALA 62 HA ALA 62 5.516 0.580 3.164 325 HB1 ALA 62 HB1 ALA 62 3.161 1.239 3.331 326 HB2 ALA 62 HB2 ALA 62 2.889 0.002 4.561 327 HB3 ALA 62 HB3 ALA 62 3.309 -0.468 2.913 328 H ASP 63 H ASP 63 4.264 0.162 6.461 329 HA ASP 63 HA ASP 63 4.361 2.908 7.188 330 HB2 ASP 63 HB2 ASP 63 2.971 1.004 8.256 331 HB3 ASP 63 HB3 ASP 63 4.430 0.557 9.130 332 H GLU 64 H GLU 64 6.615 0.174 7.621 333 HA GLU 64 HA GLU 64 8.662 1.471 9.057 334 HB2 GLU 64 HB2 GLU 64 8.451 -0.989 8.609 335 HB3 GLU 64 HB3 GLU 64 8.953 -0.718 6.952 336 HG2 GLU 64 HG2 GLU 64 10.761 0.079 9.232 337 HG3 GLU 64 HG3 GLU 64 10.652 -1.607 8.745 338 H LYS 65 H LYS 65 8.011 1.431 5.530 339 HA LYS 65 HA LYS 65 10.251 3.191 4.922 340 HB2 LYS 65 HB2 LYS 65 8.008 2.031 3.242 341 HB3 LYS 65 HB3 LYS 65 8.966 3.368 2.617 342 HG2 LYS 65 HG2 LYS 65 9.948 1.411 1.725 343 HG3 LYS 65 HG3 LYS 65 11.032 1.944 3.010 344 HD2 LYS 65 HD2 LYS 65 9.944 0.243 4.529 345 HD3 LYS 65 HD3 LYS 65 9.026 -0.337 3.136 346 HE2 LYS 65 HE2 LYS 65 10.920 -1.788 3.469 347 HE3 LYS 65 HE3 LYS 65 11.201 -0.854 1.998 348 HZ1 LYS 65 HZ1 LYS 65 12.646 0.608 3.243 349 HZ2 LYS 65 HZ2 LYS 65 13.170 -0.991 3.396 350 HZ3 LYS 65 HZ3 LYS 65 12.340 -0.247 4.670 351 H GLY 66 H GLY 66 7.302 3.791 6.405 352 HA2 GLY 66 HA2 GLY 66 6.557 5.844 7.189 353 HA3 GLY 66 HA3 GLY 66 7.634 6.664 6.076 354 H ALA 67 H ALA 67 5.507 4.261 4.754 355 HA ALA 67 HA ALA 67 4.190 6.196 3.077 356 HB1 ALA 67 HB1 ALA 67 3.096 4.256 2.045 357 HB2 ALA 67 HB2 ALA 67 3.706 3.212 3.333 358 HB3 ALA 67 HB3 ALA 67 4.832 3.988 2.220 359 H ASP 68 H ASP 68 2.043 6.717 2.980 360 HA ASP 68 HA ASP 68 0.496 6.597 5.451 361 HB2 ASP 68 HB2 ASP 68 0.072 8.050 2.805 362 HB3 ASP 68 HB3 ASP 68 -1.067 8.134 4.143 363 H VAL 69 H VAL 69 0.190 5.549 2.037 364 HA VAL 69 HA VAL 69 -2.027 3.736 2.832 365 HB VAL 69 HB VAL 69 -1.795 5.304 0.208 366 HG11 VAL 69 HG11 VAL 69 -3.976 4.290 -0.423 367 HG12 VAL 69 HG12 VAL 69 -3.945 3.298 1.037 368 HG13 VAL 69 HG13 VAL 69 -2.736 3.049 -0.221 369 HG21 VAL 69 HG21 VAL 69 -2.611 6.692 2.089 370 HG22 VAL 69 HG22 VAL 69 -3.878 5.512 2.427 371 HG23 VAL 69 HG23 VAL 69 -3.894 6.413 0.909 372 H VAL 70 H VAL 70 -1.902 1.715 2.181 373 HA VAL 70 HA VAL 70 0.253 0.724 0.420 374 HB VAL 70 HB VAL 70 -1.595 -0.996 2.156 375 HG11 VAL 70 HG11 VAL 70 0.242 -2.654 2.015 376 HG12 VAL 70 HG12 VAL 70 1.170 -1.542 1.007 377 HG13 VAL 70 HG13 VAL 70 -0.357 -2.202 0.417 378 HG21 VAL 70 HG21 VAL 70 1.029 0.215 3.054 379 HG22 VAL 70 HG22 VAL 70 0.169 -1.068 3.902 380 HG23 VAL 70 HG23 VAL 70 -0.569 0.526 3.733 381 H VAL 71 H VAL 71 -0.467 0.434 -1.633 382 HA VAL 71 HA VAL 71 -3.361 0.057 -2.149 383 HB VAL 71 HB VAL 71 -1.156 1.060 -4.012 384 HG11 VAL 71 HG11 VAL 71 -3.005 1.760 -5.508 385 HG12 VAL 71 HG12 VAL 71 -4.174 1.001 -4.425 386 HG13 VAL 71 HG13 VAL 71 -2.988 0.011 -5.277 387 HG21 VAL 71 HG21 VAL 71 -1.584 2.635 -2.169 388 HG22 VAL 71 HG22 VAL 71 -3.311 2.624 -2.537 389 HG23 VAL 71 HG23 VAL 71 -2.165 3.292 -3.701 390 H LEU 72 H LEU 72 -3.619 -2.123 -2.059 391 HA LEU 72 HA LEU 72 -1.888 -4.109 -3.060 392 HB2 LEU 72 HB2 LEU 72 -4.889 -4.269 -2.586 393 HB3 LEU 72 HB3 LEU 72 -3.848 -5.647 -2.900 394 HG LEU 72 HG LEU 72 -3.855 -3.888 -0.419 395 HD11 LEU 72 HD11 LEU 72 -4.394 -5.974 0.757 396 HD12 LEU 72 HD12 LEU 72 -4.399 -6.849 -0.777 397 HD13 LEU 72 HD13 LEU 72 -5.604 -5.597 -0.470 398 HD21 LEU 72 HD21 LEU 72 -1.512 -4.385 -0.932 399 HD22 LEU 72 HD22 LEU 72 -1.885 -6.104 -1.088 400 HD23 LEU 72 HD23 LEU 72 -2.040 -5.304 0.477 401 H THR 73 H THR 73 -1.267 -3.411 -5.080 402 HA THR 73 HA THR 73 -3.159 -3.332 -7.298 403 HB THR 73 HB THR 73 -0.950 -2.924 -8.616 404 HG1 THR 73 HG1 THR 73 0.619 -1.979 -6.888 405 HG21 THR 73 HG21 THR 73 -1.747 -0.947 -6.441 406 HG22 THR 73 HG22 THR 73 -2.485 -1.085 -8.039 407 HG23 THR 73 HG23 THR 73 -0.808 -0.562 -7.886 408 H SER 74 H SER 74 -3.862 -5.428 -6.892 409 HA SER 74 HA SER 74 -2.946 -7.611 -8.322 410 HB2 SER 74 HB2 SER 74 -2.096 -9.094 -6.423 411 HB3 SER 74 HB3 SER 74 -0.998 -7.776 -6.827 412 HG SER 74 HG SER 74 -1.553 -6.718 -5.010 413 H GLY 75 H GLY 75 -4.455 -6.386 -5.406 414 HA2 GLY 75 HA2 GLY 75 -6.827 -6.599 -5.027 415 HA3 GLY 75 HA3 GLY 75 -6.755 -8.233 -5.687 416 H GLN 76 H GLN 76 -7.642 -9.152 -3.800 417 HA GLN 76 HA GLN 76 -5.785 -9.777 -1.691 418 HB2 GLN 76 HB2 GLN 76 -7.157 -8.866 0.173 419 HB3 GLN 76 HB3 GLN 76 -6.557 -7.578 -0.867 420 HG2 GLN 76 HG2 GLN 76 -8.799 -7.557 -2.019 421 HG3 GLN 76 HG3 GLN 76 -9.364 -8.716 -0.816 422 HE21 GLN 76 HE21 GLN 76 -7.227 -5.931 -0.223 423 HE22 GLN 76 HE22 GLN 76 -8.338 -5.080 0.791 424 H THR 77 H THR 77 -7.376 -10.924 0.163 425 HA THR 77 HA THR 77 -8.730 -12.639 0.743 426 HB THR 77 HB THR 77 -10.458 -11.830 -1.656 427 HG1 THR 77 HG1 THR 77 -11.021 -10.750 0.849 428 HG21 THR 77 HG21 THR 77 -11.256 -13.883 -0.485 429 HG22 THR 77 HG22 THR 77 -12.371 -12.541 -0.240 430 HG23 THR 77 HG23 THR 77 -11.261 -13.011 1.049 431 H GLU 78 H GLU 78 -6.501 -13.258 -0.831 432 HA GLU 78 HA GLU 78 -5.446 -15.022 -1.782 433 HB2 GLU 78 HB2 GLU 78 -8.093 -16.452 -1.267 434 HB3 GLU 78 HB3 GLU 78 -6.609 -17.271 -1.739 435 HG2 GLU 78 HG2 GLU 78 -5.564 -16.838 0.335 436 HG3 GLU 78 HG3 GLU 78 -6.713 -15.567 0.743 437 H ASN 79 H ASN 79 -7.407 -13.206 -3.449 438 HA ASN 79 HA ASN 79 -8.342 -14.958 -5.566 439 HB2 ASN 79 HB2 ASN 79 -9.633 -12.941 -4.718 440 HB3 ASN 79 HB3 ASN 79 -8.420 -11.907 -5.464 441 HD21 ASN 79 HD21 ASN 79 -9.975 -10.951 -6.820 442 HD22 ASN 79 HD22 ASN 79 -10.673 -11.783 -8.162 443 H LYS 80 H LYS 80 -6.211 -15.772 -6.095 444 HA LYS 80 HA LYS 80 -4.350 -16.026 -7.344 445 HB2 LYS 80 HB2 LYS 80 -5.828 -14.017 -9.087 446 HB3 LYS 80 HB3 LYS 80 -4.374 -14.858 -9.614 447 HG2 LYS 80 HG2 LYS 80 -5.522 -17.023 -9.389 448 HG3 LYS 80 HG3 LYS 80 -6.973 -16.200 -8.814 449 HD2 LYS 80 HD2 LYS 80 -7.205 -15.059 -10.997 450 HD3 LYS 80 HD3 LYS 80 -5.728 -15.844 -11.568 451 HE2 LYS 80 HE2 LYS 80 -7.727 -16.990 -12.423 452 HE3 LYS 80 HE3 LYS 80 -6.800 -18.049 -11.361 453 HZ1 LYS 80 HZ1 LYS 80 -9.167 -18.198 -10.944 454 HZ2 LYS 80 HZ2 LYS 80 -9.239 -16.544 -10.591 455 HZ3 LYS 80 HZ3 LYS 80 -8.359 -17.579 -9.593 456 H ILE 81 H ILE 81 -4.092 -14.202 -5.196 457 HA ILE 81 HA ILE 81 -2.360 -12.027 -6.159 458 HB ILE 81 HB ILE 81 -2.453 -11.130 -3.869 459 HG12 ILE 81 HG12 ILE 81 -4.285 -13.486 -3.160 460 HG13 ILE 81 HG13 ILE 81 -2.611 -13.343 -2.638 461 HG21 ILE 81 HG21 ILE 81 -4.213 -10.461 -5.440 462 HG22 ILE 81 HG22 ILE 81 -4.855 -10.538 -3.800 463 HG23 ILE 81 HG23 ILE 81 -5.208 -11.834 -4.943 464 HD11 ILE 81 HD11 ILE 81 -4.877 -11.510 -1.875 465 HD12 ILE 81 HD12 ILE 81 -3.201 -11.339 -1.351 466 HD13 ILE 81 HD13 ILE 81 -4.139 -12.751 -0.863 467 H HIS 82 H HIS 82 -0.203 -11.884 -5.664 468 HA HIS 82 HA HIS 82 1.131 -14.032 -4.127 469 HB2 HIS 82 HB2 HIS 82 2.127 -13.354 -6.325 470 HB3 HIS 82 HB3 HIS 82 2.271 -11.697 -5.762 471 HD1 HIS 82 HD1 HIS 82 4.156 -14.754 -6.068 472 HD2 HIS 82 HD2 HIS 82 4.189 -11.488 -3.503 473 HE1 HIS 82 HE1 HIS 82 6.434 -14.760 -5.000 474 HE2 HIS 82 HE2 HIS 82 6.487 -12.669 -3.589 475 H GLY 83 H GLY 83 0.847 -10.495 -4.362 476 HA2 GLY 83 HA2 GLY 83 0.130 -9.394 -2.213 477 HA3 GLY 83 HA3 GLY 83 1.524 -10.198 -1.490 478 H THR 84 H THR 84 1.048 -8.432 -4.578 479 HA THR 84 HA THR 84 3.350 -6.691 -3.921 480 HB THR 84 HB THR 84 3.116 -5.942 -6.373 481 HG1 THR 84 HG1 THR 84 1.094 -6.646 -6.907 482 HG21 THR 84 HG21 THR 84 3.830 -8.855 -5.852 483 HG22 THR 84 HG22 THR 84 4.914 -7.458 -5.737 484 HG23 THR 84 HG23 THR 84 4.254 -7.938 -7.300 485 H ALA 85 H ALA 85 3.046 -4.608 -3.481 486 HA ALA 85 HA ALA 85 0.479 -3.270 -4.005 487 HB1 ALA 85 HB1 ALA 85 0.307 -2.538 -1.650 488 HB2 ALA 85 HB2 ALA 85 1.722 -3.511 -1.237 489 HB3 ALA 85 HB3 ALA 85 0.240 -4.297 -1.776 490 H ASP 86 H ASP 86 0.788 -1.159 -4.556 491 HA ASP 86 HA ASP 86 3.506 -0.039 -4.453 492 HB2 ASP 86 HB2 ASP 86 0.915 1.008 -5.679 493 HB3 ASP 86 HB3 ASP 86 2.425 1.916 -5.689 494 H ILE 87 H ILE 87 4.163 1.457 -3.001 495 HA ILE 87 HA ILE 87 2.244 2.210 -0.886 496 HB ILE 87 HB ILE 87 4.291 2.793 0.470 497 HG12 ILE 87 HG12 ILE 87 5.823 1.358 -1.754 498 HG13 ILE 87 HG13 ILE 87 5.928 3.080 -1.418 499 HG21 ILE 87 HG21 ILE 87 4.067 -0.070 -0.518 500 HG22 ILE 87 HG22 ILE 87 3.087 0.678 0.745 501 HG23 ILE 87 HG23 ILE 87 4.814 0.442 0.998 502 HD11 ILE 87 HD11 ILE 87 7.846 1.895 -0.541 503 HD12 ILE 87 HD12 ILE 87 6.804 0.852 0.423 504 HD13 ILE 87 HD13 ILE 87 6.903 2.578 0.783 505 H TYR 88 H TYR 88 1.783 4.230 -0.372 506 HA TYR 88 HA TYR 88 2.838 6.432 -2.039 507 HB2 TYR 88 HB2 TYR 88 -0.070 5.733 -1.472 508 HB3 TYR 88 HB3 TYR 88 0.424 7.323 -2.042 509 HD1 TYR 88 HD2 TYR 88 0.369 3.703 -2.980 510 HD2 TYR 88 HD1 TYR 88 0.797 7.711 -4.386 511 HE1 TYR 88 HE2 TYR 88 0.172 2.920 -5.291 512 HE2 TYR 88 HE1 TYR 88 0.600 6.920 -6.702 513 HH TYR 88 HH TYR 88 -0.551 3.906 -7.517 514 H LYS 89 H LYS 89 2.942 8.399 -1.080 515 HA LYS 89 HA LYS 89 2.208 8.650 1.771 516 HB2 LYS 89 HB2 LYS 89 4.494 9.855 0.175 517 HB3 LYS 89 HB3 LYS 89 3.940 10.602 1.667 518 HG2 LYS 89 HG2 LYS 89 4.284 8.287 2.758 519 HG3 LYS 89 HG3 LYS 89 5.163 7.864 1.288 520 HD2 LYS 89 HD2 LYS 89 6.723 8.562 3.026 521 HD3 LYS 89 HD3 LYS 89 6.743 9.739 1.708 522 HE2 LYS 89 HE2 LYS 89 6.748 10.794 3.983 523 HE3 LYS 89 HE3 LYS 89 5.374 11.282 2.994 524 HZ1 LYS 89 HZ1 LYS 89 4.712 10.804 5.257 525 HZ2 LYS 89 HZ2 LYS 89 5.323 9.236 5.143 526 HZ3 LYS 89 HZ3 LYS 89 4.000 9.692 4.199 527 H LYS 90 H LYS 90 1.250 10.563 2.455 528 HA LYS 90 HA LYS 90 -0.550 11.728 0.490 529 HB2 LYS 90 HB2 LYS 90 -1.180 10.935 2.865 530 HB3 LYS 90 HB3 LYS 90 -0.395 12.392 3.461 531 HG2 LYS 90 HG2 LYS 90 -1.984 13.736 2.046 532 HG3 LYS 90 HG3 LYS 90 -2.794 12.245 1.604 533 HD2 LYS 90 HD2 LYS 90 -4.020 13.373 3.391 534 HD3 LYS 90 HD3 LYS 90 -3.369 11.841 3.974 535 HE2 LYS 90 HE2 LYS 90 -1.540 13.044 5.109 536 HE3 LYS 90 HE3 LYS 90 -2.148 14.583 4.495 537 HZ1 LYS 90 HZ1 LYS 90 -2.835 14.229 6.755 538 HZ2 LYS 90 HZ2 LYS 90 -3.564 12.753 6.358 539 HZ3 LYS 90 HZ3 LYS 90 -4.191 14.201 5.746 540 H LYS 91 H LYS 91 -0.637 13.902 -0.084 541 HA LYS 91 HA LYS 91 1.791 15.464 0.204 542 HB2 LYS 91 HB2 LYS 91 -0.853 16.108 -1.181 543 HB3 LYS 91 HB3 LYS 91 0.613 17.082 -1.294 544 HG2 LYS 91 HG2 LYS 91 1.800 15.218 -2.373 545 HG3 LYS 91 HG3 LYS 91 0.367 14.197 -2.216 546 HD2 LYS 91 HD2 LYS 91 -0.884 15.733 -3.716 547 HD3 LYS 91 HD3 LYS 91 0.559 16.740 -3.882 548 HE2 LYS 91 HE2 LYS 91 1.762 14.843 -4.927 549 HE3 LYS 91 HE3 LYS 91 0.324 13.832 -4.750 550 HZ1 LYS 91 HZ1 LYS 91 0.501 14.723 -6.971 551 HZ2 LYS 91 HZ2 LYS 91 0.516 16.304 -6.378 552 HZ3 LYS 91 HZ3 LYS 91 -0.869 15.352 -6.201 553 H LEU 92 H LEU 92 2.008 16.076 2.311 554 HA LEU 92 HA LEU 92 -0.043 17.140 3.970 555 HB2 LEU 92 HB2 LEU 92 2.969 16.990 4.170 556 HB3 LEU 92 HB3 LEU 92 2.106 18.045 5.275 557 HG LEU 92 HG LEU 92 0.807 16.081 6.116 558 HD11 LEU 92 HD11 LEU 92 1.527 13.790 5.615 559 HD12 LEU 92 HD12 LEU 92 2.644 14.397 4.390 560 HD13 LEU 92 HD13 LEU 92 0.904 14.598 4.177 561 HD21 LEU 92 HD21 LEU 92 2.627 15.091 7.437 562 HD22 LEU 92 HD22 LEU 92 2.812 16.838 7.311 563 HD23 LEU 92 HD23 LEU 92 3.823 15.774 6.330 564 H GLU 93 H GLU 93 -0.741 19.178 4.241 565 HA GLU 93 HA GLU 93 0.207 21.227 2.373 566 HB2 GLU 93 HB2 GLU 93 -2.249 20.553 2.557 567 HB3 GLU 93 HB3 GLU 93 -2.272 21.322 4.138 568 HG2 GLU 93 HG2 GLU 93 -3.189 22.805 2.419 569 HG3 GLU 93 HG3 GLU 93 -1.715 23.484 3.116 570 H HIS 94 H HIS 94 0.398 23.449 3.092 571 HA HIS 94 HA HIS 94 1.147 23.967 5.857 572 HB2 HIS 94 HB2 HIS 94 3.468 24.758 5.101 573 HB3 HIS 94 HB3 HIS 94 3.225 23.020 5.116 574 HD1 HIS 94 HD1 HIS 94 3.676 25.908 2.753 575 HD2 HIS 94 HD2 HIS 94 3.367 21.763 2.596 576 HE1 HIS 94 HE1 HIS 94 4.274 25.276 0.397 577 HE2 HIS 94 HE2 HIS 94 4.178 22.759 0.348 578 H HIS 95 H HIS 95 -0.675 25.351 5.606 579 HA HIS 95 HA HIS 95 -1.580 27.406 5.668 580 HB2 HIS 95 HB2 HIS 95 1.187 28.301 4.831 581 HB3 HIS 95 HB3 HIS 95 -0.131 29.456 5.011 582 HD1 HIS 95 HD1 HIS 95 2.506 27.897 6.915 583 HD2 HIS 95 HD2 HIS 95 -1.308 29.325 7.730 584 HE1 HIS 95 HE1 HIS 95 2.432 28.233 9.402 585 HE2 HIS 95 HE2 HIS 95 0.058 28.928 9.885 586 H HIS 96 H HIS 96 -0.315 26.290 2.621 587 HA HIS 96 HA HIS 96 -1.663 28.107 0.903 588 HB2 HIS 96 HB2 HIS 96 0.147 26.798 0.002 589 HB3 HIS 96 HB3 HIS 96 -0.583 25.288 0.520 590 HD1 HIS 96 HD1 HIS 96 -2.502 24.330 -0.959 591 HD2 HIS 96 HD2 HIS 96 -0.741 27.775 -2.483 592 HE1 HIS 96 HE1 HIS 96 -3.269 24.474 -3.344 593 HE2 HIS 96 HE2 HIS 96 -2.174 26.544 -4.267 594 H HIS 97 H HIS 97 -3.725 28.395 1.717 595 HA HIS 97 HA HIS 97 -5.446 26.205 2.470 596 HB2 HIS 97 HB2 HIS 97 -5.339 28.570 3.520 597 HB3 HIS 97 HB3 HIS 97 -6.246 29.128 2.121 598 HD1 HIS 97 HD1 HIS 97 -8.767 28.899 2.283 599 HD2 HIS 97 HD2 HIS 97 -6.783 26.685 5.167 600 HE1 HIS 97 HE1 HIS 97 -10.559 28.057 3.825 601 HE2 HIS 97 HE2 HIS 97 -9.343 26.658 5.518 602 H HIS 98 H HIS 98 -4.937 28.152 -0.349 603 HA HIS 98 HA HIS 98 -5.864 28.439 -2.361 604 HB2 HIS 98 HB2 HIS 98 -5.340 26.023 -2.593 605 HB3 HIS 98 HB3 HIS 98 -6.929 25.609 -1.971 606 HD1 HIS 98 HD1 HIS 98 -5.232 27.016 -5.041 607 HD2 HIS 98 HD2 HIS 98 -9.001 25.719 -3.844 608 HE1 HIS 98 HE1 HIS 98 -6.611 26.911 -7.140 609 HE2 HIS 98 HE2 HIS 98 -8.838 25.992 -6.409 610 H HIS 99 H HIS 99 -7.118 30.101 -1.498 611 HA HIS 99 HA HIS 99 -8.908 31.355 -1.090 612 HB2 HIS 99 HB2 HIS 99 -9.823 30.481 -3.196 613 HB3 HIS 99 HB3 HIS 99 -10.497 29.083 -2.365 614 HD1 HIS 99 HD1 HIS 99 -12.618 29.466 -0.938 615 HD2 HIS 99 HD2 HIS 99 -11.275 32.880 -2.883 616 HE1 HIS 99 HE1 HIS 99 -14.482 31.133 -0.731 617 HE2 HIS 99 HE2 HIS 99 -13.605 33.229 -1.813 Start of MODEL 2 1 H1 ALA 22 H1 ALA 22 0.270 1.435 8.648 2 H2 ALA 22 H2 ALA 22 -0.610 2.865 8.832 3 H3 ALA 22 H3 ALA 22 1.028 2.933 8.432 4 HA ALA 22 HA ALA 22 -0.313 3.405 6.523 5 HB1 ALA 22 HB1 ALA 22 0.644 1.701 4.999 6 HB2 ALA 22 HB2 ALA 22 1.045 0.683 6.387 7 HB3 ALA 22 HB3 ALA 22 1.834 2.249 6.181 8 H GLU 23 H GLU 23 -2.141 2.938 5.288 9 HA GLU 23 HA GLU 23 -4.016 0.927 6.371 10 HB2 GLU 23 HB2 GLU 23 -5.786 2.269 5.325 11 HB3 GLU 23 HB3 GLU 23 -4.790 3.274 6.371 12 HG2 GLU 23 HG2 GLU 23 -3.563 4.066 4.317 13 HG3 GLU 23 HG3 GLU 23 -4.725 3.178 3.338 14 H ILE 24 H ILE 24 -5.151 -0.459 4.954 15 HA ILE 24 HA ILE 24 -3.824 -1.097 2.399 16 HB ILE 24 HB ILE 24 -5.892 -2.620 4.074 17 HG12 ILE 24 HG12 ILE 24 -3.590 -2.587 5.035 18 HG13 ILE 24 HG13 ILE 24 -4.066 -4.206 4.545 19 HG21 ILE 24 HG21 ILE 24 -6.281 -3.125 1.708 20 HG22 ILE 24 HG22 ILE 24 -5.588 -4.523 2.523 21 HG23 ILE 24 HG23 ILE 24 -4.576 -3.521 1.479 22 HD11 ILE 24 HD11 ILE 24 -2.203 -2.362 3.052 23 HD12 ILE 24 HD12 ILE 24 -2.705 -3.964 2.507 24 HD13 ILE 24 HD13 ILE 24 -1.757 -3.793 3.983 25 H MET 25 H MET 25 -4.636 -0.097 0.652 26 HA MET 25 HA MET 25 -7.572 0.124 0.289 27 HB2 MET 25 HB2 MET 25 -5.462 2.080 -0.758 28 HB3 MET 25 HB3 MET 25 -7.189 2.165 -1.083 29 HG2 MET 25 HG2 MET 25 -7.588 2.539 1.351 30 HG3 MET 25 HG3 MET 25 -5.843 2.535 1.604 31 HE1 MET 25 HE1 MET 25 -8.934 4.475 0.207 32 HE2 MET 25 HE2 MET 25 -8.070 4.134 -1.293 33 HE3 MET 25 HE3 MET 25 -8.186 5.791 -0.698 34 H LYS 26 H LYS 26 -8.323 -0.744 -1.572 35 HA LYS 26 HA LYS 26 -6.600 -2.136 -3.427 36 HB2 LYS 26 HB2 LYS 26 -9.586 -1.519 -3.587 37 HB3 LYS 26 HB3 LYS 26 -8.720 -2.662 -4.610 38 HG2 LYS 26 HG2 LYS 26 -8.273 -4.104 -2.697 39 HG3 LYS 26 HG3 LYS 26 -9.002 -2.925 -1.603 40 HD2 LYS 26 HD2 LYS 26 -11.191 -3.247 -2.773 41 HD3 LYS 26 HD3 LYS 26 -10.443 -4.488 -3.783 42 HE2 LYS 26 HE2 LYS 26 -9.966 -5.836 -1.757 43 HE3 LYS 26 HE3 LYS 26 -10.728 -4.598 -0.757 44 HZ1 LYS 26 HZ1 LYS 26 -12.251 -6.359 -1.145 45 HZ2 LYS 26 HZ2 LYS 26 -12.035 -6.280 -2.814 46 HZ3 LYS 26 HZ3 LYS 26 -12.796 -5.010 -2.003 47 H LYS 27 H LYS 27 -6.501 -1.651 -5.714 48 HA LYS 27 HA LYS 27 -5.602 0.913 -6.289 49 HB2 LYS 27 HB2 LYS 27 -5.133 -1.307 -7.521 50 HB3 LYS 27 HB3 LYS 27 -6.617 -1.023 -8.414 51 HG2 LYS 27 HG2 LYS 27 -4.349 0.996 -8.395 52 HG3 LYS 27 HG3 LYS 27 -4.368 -0.367 -9.509 53 HD2 LYS 27 HD2 LYS 27 -6.451 0.456 -10.527 54 HD3 LYS 27 HD3 LYS 27 -6.524 1.783 -9.366 55 HE2 LYS 27 HE2 LYS 27 -4.419 2.697 -10.278 56 HE3 LYS 27 HE3 LYS 27 -4.335 1.363 -11.428 57 HZ1 LYS 27 HZ1 LYS 27 -6.482 3.398 -11.303 58 HZ2 LYS 27 HZ2 LYS 27 -6.373 2.135 -12.420 59 HZ3 LYS 27 HZ3 LYS 27 -5.216 3.363 -12.422 60 H THR 28 H THR 28 -8.795 -0.509 -6.959 61 HA THR 28 HA THR 28 -9.842 1.578 -8.556 62 HB THR 28 HB THR 28 -11.375 -0.429 -6.845 63 HG1 THR 28 HG1 THR 28 -10.782 -1.871 -8.274 64 HG21 THR 28 HG21 THR 28 -12.244 1.041 -9.367 65 HG22 THR 28 HG22 THR 28 -12.827 1.384 -7.736 66 HG23 THR 28 HG23 THR 28 -13.185 -0.168 -8.495 67 H ASP 29 H ASP 29 -10.120 0.954 -5.027 68 HA ASP 29 HA ASP 29 -11.801 3.170 -4.372 69 HB2 ASP 29 HB2 ASP 29 -9.756 1.756 -2.590 70 HB3 ASP 29 HB3 ASP 29 -11.036 2.829 -2.026 71 H PHE 30 H PHE 30 -8.348 2.668 -4.454 72 HA PHE 30 HA PHE 30 -7.545 5.091 -3.231 73 HB2 PHE 30 HB2 PHE 30 -6.106 3.115 -3.196 74 HB3 PHE 30 HB3 PHE 30 -6.022 3.094 -4.959 75 HD1 PHE 30 HD1 PHE 30 -5.115 5.107 -1.958 76 HD2 PHE 30 HD2 PHE 30 -4.362 4.393 -6.104 77 HE1 PHE 30 HE1 PHE 30 -3.190 6.612 -1.878 78 HE2 PHE 30 HE2 PHE 30 -2.429 5.902 -6.005 79 HZ PHE 30 HZ PHE 30 -1.850 7.005 -3.891 80 H ASP 31 H ASP 31 -8.042 4.142 -6.601 81 HA ASP 31 HA ASP 31 -6.496 6.081 -7.899 82 HB2 ASP 31 HB2 ASP 31 -7.541 4.017 -8.953 83 HB3 ASP 31 HB3 ASP 31 -9.077 4.871 -8.973 84 H LYS 32 H LYS 32 -9.822 6.161 -6.778 85 HA LYS 32 HA LYS 32 -10.749 8.543 -7.935 86 HB2 LYS 32 HB2 LYS 32 -11.543 7.286 -5.275 87 HB3 LYS 32 HB3 LYS 32 -12.500 8.465 -6.172 88 HG2 LYS 32 HG2 LYS 32 -12.792 6.856 -8.010 89 HG3 LYS 32 HG3 LYS 32 -11.787 5.679 -7.158 90 HD2 LYS 32 HD2 LYS 32 -14.482 6.751 -6.224 91 HD3 LYS 32 HD3 LYS 32 -14.177 5.154 -6.909 92 HE2 LYS 32 HE2 LYS 32 -12.691 4.648 -4.973 93 HE3 LYS 32 HE3 LYS 32 -13.093 6.219 -4.281 94 HZ1 LYS 32 HZ1 LYS 32 -15.418 5.510 -4.210 95 HZ2 LYS 32 HZ2 LYS 32 -14.414 4.516 -3.287 96 HZ3 LYS 32 HZ3 LYS 32 -14.973 3.985 -4.792 97 H VAL 33 H VAL 33 -8.639 8.049 -5.178 98 HA VAL 33 HA VAL 33 -8.591 10.963 -4.588 99 HB VAL 33 HB VAL 33 -7.940 10.372 -2.227 100 HG11 VAL 33 HG11 VAL 33 -10.628 9.238 -3.098 101 HG12 VAL 33 HG12 VAL 33 -10.281 10.932 -2.746 102 HG13 VAL 33 HG13 VAL 33 -10.200 9.733 -1.455 103 HG21 VAL 33 HG21 VAL 33 -8.645 7.509 -3.034 104 HG22 VAL 33 HG22 VAL 33 -8.308 8.057 -1.390 105 HG23 VAL 33 HG23 VAL 33 -7.034 8.100 -2.609 106 H ALA 34 H ALA 34 -6.921 8.997 -6.361 107 HA ALA 34 HA ALA 34 -4.380 8.584 -5.217 108 HB1 ALA 34 HB1 ALA 34 -3.587 8.171 -7.514 109 HB2 ALA 34 HB2 ALA 34 -5.060 8.907 -8.155 110 HB3 ALA 34 HB3 ALA 34 -5.154 7.407 -7.233 111 H SER 35 H SER 35 -5.733 11.425 -6.705 112 HA SER 35 HA SER 35 -3.430 12.905 -7.375 113 HB2 SER 35 HB2 SER 35 -4.998 14.882 -7.275 114 HB3 SER 35 HB3 SER 35 -5.635 13.532 -8.215 115 HG SER 35 HG SER 35 -6.415 14.462 -5.667 116 H GLU 36 H GLU 36 -4.736 12.117 -4.293 117 HA GLU 36 HA GLU 36 -3.562 14.384 -2.858 118 HB2 GLU 36 HB2 GLU 36 -5.106 11.971 -1.821 119 HB3 GLU 36 HB3 GLU 36 -4.679 13.402 -0.885 120 HG2 GLU 36 HG2 GLU 36 -6.622 13.218 -3.203 121 HG3 GLU 36 HG3 GLU 36 -7.012 13.510 -1.506 122 H TYR 37 H TYR 37 -2.282 11.582 -4.103 123 HA TYR 37 HA TYR 37 -0.456 11.146 -1.800 124 HB2 TYR 37 HB2 TYR 37 -1.813 8.949 -3.423 125 HB3 TYR 37 HB3 TYR 37 -0.591 8.690 -2.178 126 HD1 TYR 37 HD1 TYR 37 -1.165 9.123 0.224 127 HD2 TYR 37 HD2 TYR 37 -4.140 9.429 -2.815 128 HE1 TYR 37 HE1 TYR 37 -2.914 9.083 1.933 129 HE2 TYR 37 HE2 TYR 37 -5.896 9.363 -1.103 130 HH TYR 37 HH TYR 37 -6.172 8.527 1.217 131 H THR 38 H THR 38 1.515 9.942 -2.385 132 HA THR 38 HA THR 38 2.503 10.432 -5.107 133 HB THR 38 HB THR 38 3.182 12.403 -3.816 134 HG1 THR 38 HG1 THR 38 5.600 10.990 -3.882 135 HG21 THR 38 HG21 THR 38 4.710 12.289 -1.888 136 HG22 THR 38 HG22 THR 38 4.542 10.534 -1.860 137 HG23 THR 38 HG23 THR 38 3.143 11.553 -1.525 138 H LYS 39 H LYS 39 3.431 8.625 -5.901 139 HA LYS 39 HA LYS 39 3.722 6.259 -4.299 140 HB2 LYS 39 HB2 LYS 39 2.998 6.227 -6.690 141 HB3 LYS 39 HB3 LYS 39 4.607 6.751 -7.175 142 HG2 LYS 39 HG2 LYS 39 5.547 4.644 -6.192 143 HG3 LYS 39 HG3 LYS 39 3.898 4.122 -5.821 144 HD2 LYS 39 HD2 LYS 39 3.328 4.160 -8.223 145 HD3 LYS 39 HD3 LYS 39 4.956 4.732 -8.611 146 HE2 LYS 39 HE2 LYS 39 4.270 2.051 -7.358 147 HE3 LYS 39 HE3 LYS 39 4.733 2.326 -9.036 148 HZ1 LYS 39 HZ1 LYS 39 6.891 3.053 -8.312 149 HZ2 LYS 39 HZ2 LYS 39 6.571 1.524 -7.665 150 HZ3 LYS 39 HZ3 LYS 39 6.450 2.898 -6.690 151 H ILE 40 H ILE 40 5.405 5.917 -2.994 152 HA ILE 40 HA ILE 40 8.038 7.123 -3.581 153 HB ILE 40 HB ILE 40 8.596 6.737 -1.222 154 HG12 ILE 40 HG12 ILE 40 5.768 5.615 -0.870 155 HG13 ILE 40 HG13 ILE 40 7.224 4.627 -0.903 156 HG21 ILE 40 HG21 ILE 40 5.886 8.096 -1.535 157 HG22 ILE 40 HG22 ILE 40 7.461 8.840 -1.825 158 HG23 ILE 40 HG23 ILE 40 7.016 8.337 -0.197 159 HD11 ILE 40 HD11 ILE 40 6.538 6.722 1.148 160 HD12 ILE 40 HD12 ILE 40 8.024 5.770 1.122 161 HD13 ILE 40 HD13 ILE 40 6.467 4.975 1.357 162 H GLY 41 H GLY 41 6.486 4.199 -4.031 163 HA2 GLY 41 HA2 GLY 41 8.549 2.754 -5.072 164 HA3 GLY 41 HA3 GLY 41 8.618 2.375 -3.352 165 H THR 42 H THR 42 8.273 0.239 -4.583 166 HA THR 42 HA THR 42 5.432 -0.483 -4.120 167 HB THR 42 HB THR 42 7.196 -1.764 -6.274 168 HG1 THR 42 HG1 THR 42 4.988 -0.032 -6.729 169 HG21 THR 42 HG21 THR 42 5.393 -3.258 -5.375 170 HG22 THR 42 HG22 THR 42 5.085 -2.812 -7.051 171 HG23 THR 42 HG23 THR 42 4.185 -2.024 -5.754 172 H ILE 43 H ILE 43 5.275 -2.098 -2.623 173 HA ILE 43 HA ILE 43 7.649 -3.785 -2.045 174 HB ILE 43 HB ILE 43 6.805 -4.117 0.247 175 HG12 ILE 43 HG12 ILE 43 4.632 -2.062 -0.415 176 HG13 ILE 43 HG13 ILE 43 4.357 -3.791 -0.229 177 HG21 ILE 43 HG21 ILE 43 8.412 -2.299 -0.144 178 HG22 ILE 43 HG22 ILE 43 7.311 -1.878 1.167 179 HG23 ILE 43 HG23 ILE 43 7.093 -1.162 -0.433 180 HD11 ILE 43 HD11 ILE 43 5.075 -3.635 2.118 181 HD12 ILE 43 HD12 ILE 43 3.688 -2.609 1.756 182 HD13 ILE 43 HD13 ILE 43 5.291 -1.893 1.916 183 H SER 44 H SER 44 6.905 -5.878 -0.947 184 HA SER 44 HA SER 44 4.452 -7.056 -1.958 185 HB2 SER 44 HB2 SER 44 5.747 -8.971 -3.016 186 HB3 SER 44 HB3 SER 44 5.926 -7.436 -3.864 187 HG SER 44 HG SER 44 7.975 -7.414 -3.397 188 H THR 45 H THR 45 4.189 -9.260 -1.082 189 HA THR 45 HA THR 45 5.267 -9.553 1.617 190 HB THR 45 HB THR 45 3.589 -11.429 1.763 191 HG1 THR 45 HG1 THR 45 3.294 -12.128 -0.280 192 HG21 THR 45 HG21 THR 45 2.430 -8.793 0.784 193 HG22 THR 45 HG22 THR 45 2.923 -9.152 2.442 194 HG23 THR 45 HG23 THR 45 1.570 -10.017 1.718 195 H THR 46 H THR 46 6.378 -11.460 2.277 196 HA THR 46 HA THR 46 8.143 -12.556 0.250 197 HB THR 46 HB THR 46 8.032 -13.204 3.240 198 HG1 THR 46 HG1 THR 46 9.473 -11.575 3.495 199 HG21 THR 46 HG21 THR 46 9.284 -14.920 1.959 200 HG22 THR 46 HG22 THR 46 10.384 -13.951 2.938 201 HG23 THR 46 HG23 THR 46 10.260 -13.659 1.201 202 H GLY 47 H GLY 47 6.579 -13.643 -0.998 203 HA2 GLY 47 HA2 GLY 47 6.109 -15.845 -1.780 204 HA3 GLY 47 HA3 GLY 47 5.960 -16.393 -0.113 205 H GLU 48 H GLU 48 3.944 -17.186 -1.629 206 HA GLU 48 HA GLU 48 1.717 -15.390 -1.795 207 HB2 GLU 48 HB2 GLU 48 1.725 -18.440 -1.729 208 HB3 GLU 48 HB3 GLU 48 0.370 -17.426 -2.211 209 HG2 GLU 48 HG2 GLU 48 1.808 -16.560 -4.098 210 HG3 GLU 48 HG3 GLU 48 3.004 -17.781 -3.665 211 H MET 49 H MET 49 1.597 -14.415 0.223 212 HA MET 49 HA MET 49 1.196 -16.026 2.634 213 HB2 MET 49 HB2 MET 49 1.518 -13.006 2.266 214 HB3 MET 49 HB3 MET 49 1.405 -13.835 3.817 215 HG2 MET 49 HG2 MET 49 3.492 -15.031 3.369 216 HG3 MET 49 HG3 MET 49 3.584 -14.315 1.765 217 HE1 MET 49 HE1 MET 49 3.901 -13.697 5.617 218 HE2 MET 49 HE2 MET 49 2.611 -12.571 5.194 219 HE3 MET 49 HE3 MET 49 4.187 -11.957 5.690 220 H SER 50 H SER 50 -0.664 -16.154 3.716 221 HA SER 50 HA SER 50 -3.135 -16.008 2.462 222 HB2 SER 50 HB2 SER 50 -2.569 -16.044 5.459 223 HB3 SER 50 HB3 SER 50 -4.097 -16.494 4.704 224 HG SER 50 HG SER 50 -1.747 -17.897 4.942 225 HA PRO 51 HA PRO 51 -4.504 -11.879 2.080 226 HB2 PRO 51 HB2 PRO 51 -7.074 -11.975 3.394 227 HB3 PRO 51 HB3 PRO 51 -6.738 -12.261 1.676 228 HG2 PRO 51 HG2 PRO 51 -7.031 -14.232 3.903 229 HG3 PRO 51 HG3 PRO 51 -7.544 -14.359 2.204 230 HD2 PRO 51 HD2 PRO 51 -5.398 -15.696 3.032 231 HD3 PRO 51 HD3 PRO 51 -5.356 -14.869 1.456 232 H LEU 52 H LEU 52 -5.126 -13.078 5.357 233 HA LEU 52 HA LEU 52 -5.379 -10.521 6.607 234 HB2 LEU 52 HB2 LEU 52 -4.924 -13.303 7.759 235 HB3 LEU 52 HB3 LEU 52 -5.152 -11.880 8.752 236 HG LEU 52 HG LEU 52 -7.234 -13.037 8.728 237 HD11 LEU 52 HD11 LEU 52 -7.474 -10.711 6.810 238 HD12 LEU 52 HD12 LEU 52 -7.441 -10.617 8.572 239 HD13 LEU 52 HD13 LEU 52 -8.786 -11.416 7.760 240 HD21 LEU 52 HD21 LEU 52 -7.115 -13.101 5.697 241 HD22 LEU 52 HD22 LEU 52 -8.458 -13.671 6.694 242 HD23 LEU 52 HD23 LEU 52 -6.894 -14.476 6.785 243 H ASP 53 H ASP 53 -2.788 -12.977 6.509 244 HA ASP 53 HA ASP 53 -0.868 -11.553 8.072 245 HB2 ASP 53 HB2 ASP 53 -0.390 -13.721 5.973 246 HB3 ASP 53 HB3 ASP 53 0.774 -13.188 7.191 247 H ALA 54 H ALA 54 -1.585 -11.735 4.657 248 HA ALA 54 HA ALA 54 0.704 -10.548 3.544 249 HB1 ALA 54 HB1 ALA 54 -0.682 -10.270 1.498 250 HB2 ALA 54 HB2 ALA 54 -2.138 -10.642 2.428 251 HB3 ALA 54 HB3 ALA 54 -0.899 -11.876 2.200 252 H ARG 55 H ARG 55 -2.479 -9.203 4.413 253 HA ARG 55 HA ARG 55 -1.972 -6.532 3.653 254 HB2 ARG 55 HB2 ARG 55 -3.993 -7.772 5.549 255 HB3 ARG 55 HB3 ARG 55 -3.938 -6.030 5.274 256 HG2 ARG 55 HG2 ARG 55 -4.387 -6.354 2.886 257 HG3 ARG 55 HG3 ARG 55 -4.352 -8.109 3.092 258 HD2 ARG 55 HD2 ARG 55 -6.657 -7.229 2.954 259 HD3 ARG 55 HD3 ARG 55 -6.347 -8.011 4.506 260 HE ARG 55 HE ARG 55 -5.819 -5.258 4.772 261 HH11 ARG 55 HH11 ARG 55 -8.585 -7.360 4.312 262 HH12 ARG 55 HH12 ARG 55 -9.691 -6.279 5.103 263 HH21 ARG 55 HH21 ARG 55 -7.266 -3.866 5.829 264 HH22 ARG 55 HH22 ARG 55 -8.948 -4.303 5.960 265 H GLU 56 H GLU 56 -1.662 -8.156 6.834 266 HA GLU 56 HA GLU 56 -0.852 -5.846 8.304 267 HB2 GLU 56 HB2 GLU 56 -0.378 -8.802 8.893 268 HB3 GLU 56 HB3 GLU 56 -0.114 -7.491 10.046 269 HG2 GLU 56 HG2 GLU 56 -2.506 -6.931 9.953 270 HG3 GLU 56 HG3 GLU 56 -2.771 -8.232 8.794 271 H ASP 57 H ASP 57 0.916 -8.246 6.447 272 HA ASP 57 HA ASP 57 3.576 -7.609 7.271 273 HB2 ASP 57 HB2 ASP 57 2.971 -9.739 6.145 274 HB3 ASP 57 HB3 ASP 57 2.537 -8.863 4.685 275 H LEU 58 H LEU 58 1.556 -6.661 4.525 276 HA LEU 58 HA LEU 58 3.334 -4.868 3.263 277 HB2 LEU 58 HB2 LEU 58 0.306 -5.079 3.194 278 HB3 LEU 58 HB3 LEU 58 1.210 -3.967 2.182 279 HG LEU 58 HG LEU 58 1.490 -6.994 2.101 280 HD11 LEU 58 HD11 LEU 58 0.315 -6.908 -0.036 281 HD12 LEU 58 HD12 LEU 58 0.048 -5.174 0.160 282 HD13 LEU 58 HD13 LEU 58 -0.698 -6.319 1.279 283 HD21 LEU 58 HD21 LEU 58 2.794 -6.651 0.038 284 HD22 LEU 58 HD22 LEU 58 3.573 -5.886 1.419 285 HD23 LEU 58 HD23 LEU 58 2.690 -4.901 0.250 286 H ILE 59 H ILE 59 0.861 -4.357 5.779 287 HA ILE 59 HA ILE 59 0.991 -1.521 5.964 288 HB ILE 59 HB ILE 59 0.248 -3.647 8.032 289 HG12 ILE 59 HG12 ILE 59 -1.511 -1.647 6.525 290 HG13 ILE 59 HG13 ILE 59 -1.294 -3.334 6.077 291 HG21 ILE 59 HG21 ILE 59 -0.681 -1.845 9.481 292 HG22 ILE 59 HG22 ILE 59 0.018 -0.625 8.413 293 HG23 ILE 59 HG23 ILE 59 1.070 -1.721 9.308 294 HD11 ILE 59 HD11 ILE 59 -2.343 -4.029 8.179 295 HD12 ILE 59 HD12 ILE 59 -3.394 -2.982 7.226 296 HD13 ILE 59 HD13 ILE 59 -2.550 -2.334 8.629 297 H LYS 60 H LYS 60 2.579 -4.056 7.865 298 HA LYS 60 HA LYS 60 4.137 -2.601 9.627 299 HB2 LYS 60 HB2 LYS 60 3.818 -5.015 9.807 300 HB3 LYS 60 HB3 LYS 60 4.616 -5.286 8.265 301 HG2 LYS 60 HG2 LYS 60 6.765 -4.523 9.276 302 HG3 LYS 60 HG3 LYS 60 5.943 -4.352 10.832 303 HD2 LYS 60 HD2 LYS 60 5.427 -6.775 10.834 304 HD3 LYS 60 HD3 LYS 60 6.196 -6.950 9.253 305 HE2 LYS 60 HE2 LYS 60 7.592 -6.119 11.822 306 HE3 LYS 60 HE3 LYS 60 7.693 -7.703 11.052 307 HZ1 LYS 60 HZ1 LYS 60 8.642 -5.134 9.910 308 HZ2 LYS 60 HZ2 LYS 60 8.690 -6.623 9.116 309 HZ3 LYS 60 HZ3 LYS 60 9.610 -6.383 10.513 310 H LYS 61 H LYS 61 5.068 -3.893 6.452 311 HA LYS 61 HA LYS 61 7.731 -2.802 6.541 312 HB2 LYS 61 HB2 LYS 61 6.129 -4.338 4.469 313 HB3 LYS 61 HB3 LYS 61 7.769 -3.773 4.147 314 HG2 LYS 61 HG2 LYS 61 8.732 -5.209 5.730 315 HG3 LYS 61 HG3 LYS 61 7.228 -5.391 6.632 316 HD2 LYS 61 HD2 LYS 61 7.852 -7.445 5.448 317 HD3 LYS 61 HD3 LYS 61 6.297 -6.817 4.910 318 HE2 LYS 61 HE2 LYS 61 7.369 -5.897 2.890 319 HE3 LYS 61 HE3 LYS 61 8.933 -6.526 3.429 320 HZ1 LYS 61 HZ1 LYS 61 8.028 -8.749 3.331 321 HZ2 LYS 61 HZ2 LYS 61 7.838 -7.983 1.837 322 HZ3 LYS 61 HZ3 LYS 61 6.515 -8.148 2.874 323 H ALA 62 H ALA 62 4.669 -1.777 5.058 324 HA ALA 62 HA ALA 62 5.740 0.323 3.449 325 HB1 ALA 62 HB1 ALA 62 3.415 -0.428 3.169 326 HB2 ALA 62 HB2 ALA 62 3.478 1.306 3.486 327 HB3 ALA 62 HB3 ALA 62 3.006 0.186 4.770 328 H ASP 63 H ASP 63 4.668 0.176 6.854 329 HA ASP 63 HA ASP 63 5.146 2.910 7.492 330 HB2 ASP 63 HB2 ASP 63 4.900 0.433 9.230 331 HB3 ASP 63 HB3 ASP 63 5.234 2.016 9.923 332 H GLU 64 H GLU 64 7.175 -0.006 7.676 333 HA GLU 64 HA GLU 64 9.504 1.235 8.724 334 HB2 GLU 64 HB2 GLU 64 9.180 -1.220 6.960 335 HB3 GLU 64 HB3 GLU 64 10.712 -0.740 7.691 336 HG2 GLU 64 HG2 GLU 64 9.745 -1.019 9.929 337 HG3 GLU 64 HG3 GLU 64 8.195 -1.458 9.214 338 H LYS 65 H LYS 65 8.193 1.035 5.456 339 HA LYS 65 HA LYS 65 10.453 2.460 4.255 340 HB2 LYS 65 HB2 LYS 65 7.767 1.582 3.116 341 HB3 LYS 65 HB3 LYS 65 8.997 2.426 2.180 342 HG2 LYS 65 HG2 LYS 65 9.332 -0.297 3.478 343 HG3 LYS 65 HG3 LYS 65 9.005 -0.006 1.765 344 HD2 LYS 65 HD2 LYS 65 11.164 1.128 1.504 345 HD3 LYS 65 HD3 LYS 65 11.481 0.996 3.239 346 HE2 LYS 65 HE2 LYS 65 11.214 -1.343 1.316 347 HE3 LYS 65 HE3 LYS 65 12.729 -0.702 1.957 348 HZ1 LYS 65 HZ1 LYS 65 11.926 -1.256 4.197 349 HZ2 LYS 65 HZ2 LYS 65 12.066 -2.617 3.211 350 HZ3 LYS 65 HZ3 LYS 65 10.544 -1.958 3.533 351 H GLY 66 H GLY 66 7.970 3.420 6.216 352 HA2 GLY 66 HA2 GLY 66 7.056 5.437 6.764 353 HA3 GLY 66 HA3 GLY 66 8.288 6.185 5.758 354 H ALA 67 H ALA 67 5.356 4.179 5.257 355 HA ALA 67 HA ALA 67 4.426 6.057 3.151 356 HB1 ALA 67 HB1 ALA 67 3.517 4.139 1.913 357 HB2 ALA 67 HB2 ALA 67 4.151 3.033 3.136 358 HB3 ALA 67 HB3 ALA 67 5.261 3.970 2.137 359 H ASP 68 H ASP 68 2.195 6.379 3.003 360 HA ASP 68 HA ASP 68 0.731 5.942 5.515 361 HB2 ASP 68 HB2 ASP 68 0.127 7.792 3.166 362 HB3 ASP 68 HB3 ASP 68 -0.774 7.730 4.683 363 H VAL 69 H VAL 69 0.419 5.293 2.010 364 HA VAL 69 HA VAL 69 -1.883 3.503 2.608 365 HB VAL 69 HB VAL 69 -1.505 5.194 0.080 366 HG11 VAL 69 HG11 VAL 69 -3.722 4.283 -0.638 367 HG12 VAL 69 HG12 VAL 69 -3.719 3.189 0.746 368 HG13 VAL 69 HG13 VAL 69 -2.499 3.020 -0.515 369 HG21 VAL 69 HG21 VAL 69 -2.319 6.516 1.990 370 HG22 VAL 69 HG22 VAL 69 -3.634 5.371 2.256 371 HG23 VAL 69 HG23 VAL 69 -3.586 6.334 0.777 372 H VAL 70 H VAL 70 -1.900 1.547 1.709 373 HA VAL 70 HA VAL 70 0.342 0.612 0.010 374 HB VAL 70 HB VAL 70 -1.395 -1.133 1.841 375 HG11 VAL 70 HG11 VAL 70 0.449 -2.761 1.580 376 HG12 VAL 70 HG12 VAL 70 1.293 -1.645 0.507 377 HG13 VAL 70 HG13 VAL 70 -0.266 -2.323 0.031 378 HG21 VAL 70 HG21 VAL 70 -0.227 0.460 3.306 379 HG22 VAL 70 HG22 VAL 70 1.318 0.058 2.554 380 HG23 VAL 70 HG23 VAL 70 0.450 -1.160 3.493 381 H VAL 71 H VAL 71 -0.381 0.240 -2.037 382 HA VAL 71 HA VAL 71 -3.294 0.156 -2.555 383 HB VAL 71 HB VAL 71 -1.030 0.992 -4.434 384 HG11 VAL 71 HG11 VAL 71 -4.056 1.246 -4.776 385 HG12 VAL 71 HG12 VAL 71 -2.990 0.172 -5.684 386 HG13 VAL 71 HG13 VAL 71 -2.842 1.918 -5.869 387 HG21 VAL 71 HG21 VAL 71 -2.976 2.723 -2.850 388 HG22 VAL 71 HG22 VAL 71 -1.806 3.310 -4.033 389 HG23 VAL 71 HG23 VAL 71 -1.243 2.553 -2.545 390 H LEU 72 H LEU 72 -3.933 -1.895 -2.780 391 HA LEU 72 HA LEU 72 -2.305 -4.072 -3.633 392 HB2 LEU 72 HB2 LEU 72 -5.332 -3.944 -3.328 393 HB3 LEU 72 HB3 LEU 72 -4.380 -5.417 -3.479 394 HG LEU 72 HG LEU 72 -4.334 -3.463 -1.138 395 HD11 LEU 72 HD11 LEU 72 -5.212 -5.358 0.170 396 HD12 LEU 72 HD12 LEU 72 -5.312 -6.327 -1.302 397 HD13 LEU 72 HD13 LEU 72 -6.307 -4.879 -1.127 398 HD21 LEU 72 HD21 LEU 72 -2.767 -5.024 -0.030 399 HD22 LEU 72 HD22 LEU 72 -2.065 -4.312 -1.478 400 HD23 LEU 72 HD23 LEU 72 -2.660 -5.973 -1.516 401 H THR 73 H THR 73 -1.599 -4.177 -5.652 402 HA THR 73 HA THR 73 -3.448 -3.763 -7.956 403 HB THR 73 HB THR 73 -1.343 -3.091 -9.224 404 HG1 THR 73 HG1 THR 73 -0.034 -2.454 -6.866 405 HG21 THR 73 HG21 THR 73 -2.883 -1.342 -8.406 406 HG22 THR 73 HG22 THR 73 -1.209 -0.798 -8.291 407 HG23 THR 73 HG23 THR 73 -2.064 -1.332 -6.842 408 H SER 74 H SER 74 -2.225 -6.173 -6.274 409 HA SER 74 HA SER 74 -0.736 -7.683 -8.271 410 HB2 SER 74 HB2 SER 74 -0.631 -9.388 -6.391 411 HB3 SER 74 HB3 SER 74 0.044 -7.809 -5.995 412 HG SER 74 HG SER 74 -2.356 -8.990 -5.118 413 H GLY 75 H GLY 75 -3.811 -7.075 -8.443 414 HA2 GLY 75 HA2 GLY 75 -5.664 -8.127 -9.288 415 HA3 GLY 75 HA3 GLY 75 -4.632 -9.497 -9.687 416 H GLN 76 H GLN 76 -5.855 -7.894 -6.773 417 HA GLN 76 HA GLN 76 -5.689 -9.999 -4.988 418 HB2 GLN 76 HB2 GLN 76 -5.978 -7.742 -4.179 419 HB3 GLN 76 HB3 GLN 76 -7.530 -7.578 -4.995 420 HG2 GLN 76 HG2 GLN 76 -8.574 -9.132 -3.477 421 HG3 GLN 76 HG3 GLN 76 -7.023 -9.546 -2.758 422 HE21 GLN 76 HE21 GLN 76 -7.719 -9.045 -0.709 423 HE22 GLN 76 HE22 GLN 76 -7.965 -7.420 -0.176 424 H THR 77 H THR 77 -6.960 -11.596 -4.321 425 HA THR 77 HA THR 77 -9.612 -12.187 -4.786 426 HB THR 77 HB THR 77 -9.037 -12.322 -7.225 427 HG1 THR 77 HG1 THR 77 -10.700 -13.639 -6.483 428 HG21 THR 77 HG21 THR 77 -6.678 -13.066 -7.053 429 HG22 THR 77 HG22 THR 77 -7.613 -14.146 -8.093 430 HG23 THR 77 HG23 THR 77 -7.217 -14.630 -6.443 431 H GLU 78 H GLU 78 -6.304 -13.181 -4.355 432 HA GLU 78 HA GLU 78 -5.189 -14.591 -3.051 433 HB2 GLU 78 HB2 GLU 78 -7.776 -14.508 -1.477 434 HB3 GLU 78 HB3 GLU 78 -6.377 -15.416 -0.914 435 HG2 GLU 78 HG2 GLU 78 -6.428 -13.266 0.173 436 HG3 GLU 78 HG3 GLU 78 -5.026 -13.349 -0.878 437 H ASN 79 H ASN 79 -7.259 -15.636 -5.156 438 HA ASN 79 HA ASN 79 -7.483 -18.423 -4.680 439 HB2 ASN 79 HB2 ASN 79 -8.878 -17.306 -6.350 440 HB3 ASN 79 HB3 ASN 79 -7.462 -16.796 -7.263 441 HD21 ASN 79 HD21 ASN 79 -6.410 -18.309 -8.578 442 HD22 ASN 79 HD22 ASN 79 -7.090 -19.852 -8.939 443 H LYS 80 H LYS 80 -5.157 -16.372 -6.381 444 HA LYS 80 HA LYS 80 -2.889 -17.979 -5.694 445 HB2 LYS 80 HB2 LYS 80 -3.788 -19.254 -7.660 446 HB3 LYS 80 HB3 LYS 80 -3.669 -17.804 -8.647 447 HG2 LYS 80 HG2 LYS 80 -1.211 -17.817 -8.362 448 HG3 LYS 80 HG3 LYS 80 -1.334 -19.276 -7.371 449 HD2 LYS 80 HD2 LYS 80 -2.355 -20.465 -9.335 450 HD3 LYS 80 HD3 LYS 80 -2.107 -19.011 -10.307 451 HE2 LYS 80 HE2 LYS 80 0.096 -20.639 -8.989 452 HE3 LYS 80 HE3 LYS 80 -0.351 -20.706 -10.694 453 HZ1 LYS 80 HZ1 LYS 80 0.660 -18.300 -9.284 454 HZ2 LYS 80 HZ2 LYS 80 0.268 -18.400 -10.926 455 HZ3 LYS 80 HZ3 LYS 80 1.568 -19.288 -10.310 456 H ILE 81 H ILE 81 -2.124 -16.074 -4.799 457 HA ILE 81 HA ILE 81 -1.125 -14.007 -6.646 458 HB ILE 81 HB ILE 81 -1.626 -12.201 -4.907 459 HG12 ILE 81 HG12 ILE 81 -3.851 -12.839 -3.499 460 HG13 ILE 81 HG13 ILE 81 -3.173 -14.453 -3.596 461 HG21 ILE 81 HG21 ILE 81 -2.920 -12.296 -6.965 462 HG22 ILE 81 HG22 ILE 81 -3.948 -11.786 -5.624 463 HG23 ILE 81 HG23 ILE 81 -4.054 -13.439 -6.239 464 HD11 ILE 81 HD11 ILE 81 -1.807 -12.052 -2.370 465 HD12 ILE 81 HD12 ILE 81 -1.183 -13.703 -2.421 466 HD13 ILE 81 HD13 ILE 81 -2.640 -13.343 -1.502 467 H HIS 82 H HIS 82 0.918 -13.319 -6.174 468 HA HIS 82 HA HIS 82 2.471 -14.522 -4.075 469 HB2 HIS 82 HB2 HIS 82 3.567 -13.877 -6.172 470 HB3 HIS 82 HB3 HIS 82 3.054 -12.208 -5.995 471 HD1 HIS 82 HD1 HIS 82 5.695 -14.595 -4.922 472 HD2 HIS 82 HD2 HIS 82 4.517 -10.691 -4.095 473 HE1 HIS 82 HE1 HIS 82 7.623 -13.567 -3.683 474 HE2 HIS 82 HE2 HIS 82 6.814 -11.268 -3.040 475 H GLY 83 H GLY 83 0.729 -11.488 -4.580 476 HA2 GLY 83 HA2 GLY 83 -0.069 -10.012 -2.923 477 HA3 GLY 83 HA3 GLY 83 1.085 -10.677 -1.772 478 H THR 84 H THR 84 0.480 -8.148 -3.978 479 HA THR 84 HA THR 84 3.081 -6.906 -3.491 480 HB THR 84 HB THR 84 2.093 -7.349 -6.360 481 HG1 THR 84 HG1 THR 84 3.912 -8.718 -4.740 482 HG21 THR 84 HG21 THR 84 4.265 -6.359 -7.033 483 HG22 THR 84 HG22 THR 84 4.641 -6.025 -5.341 484 HG23 THR 84 HG23 THR 84 3.287 -5.207 -6.124 485 H ALA 85 H ALA 85 2.914 -4.677 -3.478 486 HA ALA 85 HA ALA 85 0.507 -3.318 -4.384 487 HB1 ALA 85 HB1 ALA 85 -0.121 -2.534 -2.130 488 HB2 ALA 85 HB2 ALA 85 1.145 -3.541 -1.418 489 HB3 ALA 85 HB3 ALA 85 -0.220 -4.292 -2.246 490 H ASP 86 H ASP 86 0.783 -1.127 -4.584 491 HA ASP 86 HA ASP 86 3.554 -0.139 -4.472 492 HB2 ASP 86 HB2 ASP 86 1.074 1.265 -5.573 493 HB3 ASP 86 HB3 ASP 86 2.755 1.723 -5.841 494 H ILE 87 H ILE 87 4.247 1.384 -3.040 495 HA ILE 87 HA ILE 87 2.333 2.167 -0.933 496 HB ILE 87 HB ILE 87 4.397 2.727 0.412 497 HG12 ILE 87 HG12 ILE 87 5.875 1.295 -1.843 498 HG13 ILE 87 HG13 ILE 87 6.010 3.007 -1.470 499 HG21 ILE 87 HG21 ILE 87 4.899 0.377 0.978 500 HG22 ILE 87 HG22 ILE 87 4.125 -0.153 -0.517 501 HG23 ILE 87 HG23 ILE 87 3.168 0.630 0.744 502 HD11 ILE 87 HD11 ILE 87 7.025 2.445 0.687 503 HD12 ILE 87 HD12 ILE 87 7.927 1.778 -0.673 504 HD13 ILE 87 HD13 ILE 87 6.892 0.730 0.292 505 H TYR 88 H TYR 88 1.884 4.187 -0.453 506 HA TYR 88 HA TYR 88 2.996 6.428 -2.026 507 HB2 TYR 88 HB2 TYR 88 0.075 5.696 -1.558 508 HB3 TYR 88 HB3 TYR 88 0.564 7.322 -2.015 509 HD1 TYR 88 HD2 TYR 88 0.861 3.751 -3.213 510 HD2 TYR 88 HD1 TYR 88 0.598 7.873 -4.303 511 HE1 TYR 88 HE2 TYR 88 0.642 3.119 -5.570 512 HE2 TYR 88 HE1 TYR 88 0.374 7.236 -6.661 513 HH TYR 88 HH TYR 88 0.979 5.277 -8.116 514 H LYS 89 H LYS 89 2.803 8.447 -1.011 515 HA LYS 89 HA LYS 89 2.104 8.496 1.866 516 HB2 LYS 89 HB2 LYS 89 4.238 10.019 0.318 517 HB3 LYS 89 HB3 LYS 89 3.687 10.532 1.907 518 HG2 LYS 89 HG2 LYS 89 4.320 8.081 2.632 519 HG3 LYS 89 HG3 LYS 89 5.254 8.077 1.134 520 HD2 LYS 89 HD2 LYS 89 6.718 8.717 2.933 521 HD3 LYS 89 HD3 LYS 89 6.445 10.147 1.935 522 HE2 LYS 89 HE2 LYS 89 4.840 11.026 3.558 523 HE3 LYS 89 HE3 LYS 89 4.936 9.544 4.513 524 HZ1 LYS 89 HZ1 LYS 89 6.240 11.362 5.433 525 HZ2 LYS 89 HZ2 LYS 89 7.194 11.399 4.042 526 HZ3 LYS 89 HZ3 LYS 89 7.201 10.032 5.033 527 H LYS 90 H LYS 90 0.949 10.348 2.619 528 HA LYS 90 HA LYS 90 -0.767 11.508 0.581 529 HB2 LYS 90 HB2 LYS 90 -1.475 10.761 3.022 530 HB3 LYS 90 HB3 LYS 90 -0.883 12.349 3.508 531 HG2 LYS 90 HG2 LYS 90 -2.437 13.258 1.604 532 HG3 LYS 90 HG3 LYS 90 -3.186 11.671 1.657 533 HD2 LYS 90 HD2 LYS 90 -4.503 13.137 3.015 534 HD3 LYS 90 HD3 LYS 90 -3.651 12.051 4.115 535 HE2 LYS 90 HE2 LYS 90 -3.628 14.370 4.946 536 HE3 LYS 90 HE3 LYS 90 -1.997 13.816 4.576 537 HZ1 LYS 90 HZ1 LYS 90 -2.124 14.993 2.462 538 HZ2 LYS 90 HZ2 LYS 90 -2.334 16.040 3.765 539 HZ3 LYS 90 HZ3 LYS 90 -3.670 15.553 2.846 540 H LYS 91 H LYS 91 -0.451 13.398 -0.342 541 HA LYS 91 HA LYS 91 1.714 15.135 0.026 542 HB2 LYS 91 HB2 LYS 91 -0.966 15.655 -1.335 543 HB3 LYS 91 HB3 LYS 91 0.483 16.640 -1.544 544 HG2 LYS 91 HG2 LYS 91 1.637 14.742 -2.606 545 HG3 LYS 91 HG3 LYS 91 0.217 13.720 -2.341 546 HD2 LYS 91 HD2 LYS 91 -1.124 15.177 -3.820 547 HD3 LYS 91 HD3 LYS 91 0.275 16.227 -4.074 548 HE2 LYS 91 HE2 LYS 91 1.477 14.381 -5.186 549 HE3 LYS 91 HE3 LYS 91 0.118 13.295 -4.874 550 HZ1 LYS 91 HZ1 LYS 91 0.057 14.129 -7.117 551 HZ2 LYS 91 HZ2 LYS 91 0.042 15.728 -6.570 552 HZ3 LYS 91 HZ3 LYS 91 -1.273 14.715 -6.253 553 H LEU 92 H LEU 92 2.025 16.525 1.647 554 HA LEU 92 HA LEU 92 1.791 18.112 3.211 555 HB2 LEU 92 HB2 LEU 92 -0.975 18.557 2.038 556 HB3 LEU 92 HB3 LEU 92 -0.160 19.640 3.156 557 HG LEU 92 HG LEU 92 0.765 19.013 0.319 558 HD11 LEU 92 HD11 LEU 92 -0.499 21.555 1.387 559 HD12 LEU 92 HD12 LEU 92 -1.278 20.371 0.333 560 HD13 LEU 92 HD13 LEU 92 0.105 21.290 -0.253 561 HD21 LEU 92 HD21 LEU 92 2.420 20.805 0.624 562 HD22 LEU 92 HD22 LEU 92 2.681 19.497 1.772 563 HD23 LEU 92 HD23 LEU 92 1.922 20.999 2.307 564 H GLU 93 H GLU 93 0.128 18.882 5.085 565 HA GLU 93 HA GLU 93 -0.578 16.391 6.518 566 HB2 GLU 93 HB2 GLU 93 -0.121 17.662 8.601 567 HB3 GLU 93 HB3 GLU 93 1.278 17.606 7.534 568 HG2 GLU 93 HG2 GLU 93 0.825 19.908 6.784 569 HG3 GLU 93 HG3 GLU 93 -0.606 19.966 7.818 570 H HIS 94 H HIS 94 -2.305 16.586 8.185 571 HA HIS 94 HA HIS 94 -4.728 17.817 7.201 572 HB2 HIS 94 HB2 HIS 94 -4.120 16.331 9.796 573 HB3 HIS 94 HB3 HIS 94 -5.716 16.962 9.398 574 HD1 HIS 94 HD1 HIS 94 -7.210 15.259 8.458 575 HD2 HIS 94 HD2 HIS 94 -3.231 14.440 7.581 576 HE1 HIS 94 HE1 HIS 94 -7.233 13.075 7.221 577 HE2 HIS 94 HE2 HIS 94 -4.802 12.520 6.854 578 H HIS 95 H HIS 95 -2.276 18.597 9.537 579 HA HIS 95 HA HIS 95 -3.729 20.569 11.069 580 HB2 HIS 95 HB2 HIS 95 -2.026 19.158 12.116 581 HB3 HIS 95 HB3 HIS 95 -0.810 19.697 10.971 582 HD1 HIS 95 HD1 HIS 95 0.590 21.642 11.664 583 HD2 HIS 95 HD2 HIS 95 -2.819 21.269 14.015 584 HE1 HIS 95 HE1 HIS 95 0.867 23.312 13.518 585 HE2 HIS 95 HE2 HIS 95 -1.181 23.033 14.964 586 H HIS 96 H HIS 96 -2.934 20.798 7.977 587 HA HIS 96 HA HIS 96 -1.349 22.861 7.277 588 HB2 HIS 96 HB2 HIS 96 -3.006 23.235 5.340 589 HB3 HIS 96 HB3 HIS 96 -2.373 21.609 5.549 590 HD1 HIS 96 HD1 HIS 96 -4.097 19.879 5.276 591 HD2 HIS 96 HD2 HIS 96 -5.780 23.393 6.701 592 HE1 HIS 96 HE1 HIS 96 -6.552 19.407 5.490 593 HE2 HIS 96 HE2 HIS 96 -7.568 21.606 6.168 594 H HIS 97 H HIS 97 -1.351 24.413 8.998 595 HA HIS 97 HA HIS 97 -2.748 26.808 8.656 596 HB2 HIS 97 HB2 HIS 97 -4.718 25.597 9.541 597 HB3 HIS 97 HB3 HIS 97 -3.793 25.067 10.941 598 HD1 HIS 97 HD1 HIS 97 -4.730 26.285 12.886 599 HD2 HIS 97 HD2 HIS 97 -4.368 28.752 9.563 600 HE1 HIS 97 HE1 HIS 97 -5.467 28.555 13.653 601 HE2 HIS 97 HE2 HIS 97 -5.421 29.984 11.574 602 H HIS 98 H HIS 98 -0.940 27.960 9.105 603 HA HIS 98 HA HIS 98 0.479 27.529 11.668 604 HB2 HIS 98 HB2 HIS 98 1.888 27.525 9.613 605 HB3 HIS 98 HB3 HIS 98 1.344 29.155 9.235 606 HD1 HIS 98 HD1 HIS 98 3.354 30.582 9.613 607 HD2 HIS 98 HD2 HIS 98 2.846 27.818 12.679 608 HE1 HIS 98 HE1 HIS 98 5.135 31.115 11.298 609 HE2 HIS 98 HE2 HIS 98 4.808 29.434 13.150 610 H HIS 99 H HIS 99 -1.406 29.809 9.781 611 HA HIS 99 HA HIS 99 -2.439 31.753 10.175 612 HB2 HIS 99 HB2 HIS 99 -3.378 30.690 12.177 613 HB3 HIS 99 HB3 HIS 99 -1.957 31.094 13.121 614 HD1 HIS 99 HD1 HIS 99 -4.974 32.720 11.534 615 HD2 HIS 99 HD2 HIS 99 -1.994 33.594 14.294 616 HE1 HIS 99 HE1 HIS 99 -5.656 34.899 12.586 617 HE2 HIS 99 HE2 HIS 99 -3.767 35.473 14.154 Start of MODEL 3 1 H1 ALA 22 H1 ALA 22 0.645 2.415 8.487 2 H2 ALA 22 H2 ALA 22 -0.168 3.782 7.925 3 H3 ALA 22 H3 ALA 22 1.494 3.630 7.676 4 HA ALA 22 HA ALA 22 0.262 3.194 5.671 5 HB1 ALA 22 HB1 ALA 22 2.424 2.085 6.043 6 HB2 ALA 22 HB2 ALA 22 1.334 1.062 5.112 7 HB3 ALA 22 HB3 ALA 22 1.601 0.732 6.822 8 H GLU 23 H GLU 23 -1.822 2.819 5.099 9 HA GLU 23 HA GLU 23 -3.406 0.745 6.515 10 HB2 GLU 23 HB2 GLU 23 -5.411 2.143 5.969 11 HB3 GLU 23 HB3 GLU 23 -4.265 2.952 7.029 12 HG2 GLU 23 HG2 GLU 23 -3.422 4.293 5.174 13 HG3 GLU 23 HG3 GLU 23 -4.465 3.442 4.039 14 H ILE 24 H ILE 24 -4.491 -0.769 5.318 15 HA ILE 24 HA ILE 24 -3.791 -1.172 2.554 16 HB ILE 24 HB ILE 24 -5.754 -2.653 4.377 17 HG12 ILE 24 HG12 ILE 24 -3.363 -2.806 5.065 18 HG13 ILE 24 HG13 ILE 24 -4.012 -4.363 4.579 19 HG21 ILE 24 HG21 ILE 24 -5.738 -4.488 2.709 20 HG22 ILE 24 HG22 ILE 24 -4.792 -3.482 1.609 21 HG23 ILE 24 HG23 ILE 24 -6.432 -3.005 2.049 22 HD11 ILE 24 HD11 ILE 24 -2.198 -2.600 2.939 23 HD12 ILE 24 HD12 ILE 24 -2.866 -4.147 2.417 24 HD13 ILE 24 HD13 ILE 24 -1.752 -4.084 3.781 25 H MET 25 H MET 25 -4.775 -0.215 0.893 26 HA MET 25 HA MET 25 -7.715 0.045 0.863 27 HB2 MET 25 HB2 MET 25 -5.743 2.097 -0.252 28 HB3 MET 25 HB3 MET 25 -7.469 2.109 -0.569 29 HG2 MET 25 HG2 MET 25 -7.434 2.106 2.166 30 HG3 MET 25 HG3 MET 25 -5.987 3.042 1.813 31 HE1 MET 25 HE1 MET 25 -7.301 4.283 -1.127 32 HE2 MET 25 HE2 MET 25 -6.186 5.152 -0.066 33 HE3 MET 25 HE3 MET 25 -7.737 5.872 -0.496 34 H LYS 26 H LYS 26 -8.670 -0.488 -1.036 35 HA LYS 26 HA LYS 26 -7.291 -2.123 -2.956 36 HB2 LYS 26 HB2 LYS 26 -10.133 -1.008 -2.905 37 HB3 LYS 26 HB3 LYS 26 -9.551 -2.180 -4.080 38 HG2 LYS 26 HG2 LYS 26 -9.656 -2.663 -1.079 39 HG3 LYS 26 HG3 LYS 26 -10.893 -3.195 -2.221 40 HD2 LYS 26 HD2 LYS 26 -7.966 -4.058 -2.322 41 HD3 LYS 26 HD3 LYS 26 -9.255 -5.004 -1.577 42 HE2 LYS 26 HE2 LYS 26 -10.358 -5.296 -3.716 43 HE3 LYS 26 HE3 LYS 26 -9.239 -4.184 -4.505 44 HZ1 LYS 26 HZ1 LYS 26 -8.709 -6.496 -4.945 45 HZ2 LYS 26 HZ2 LYS 26 -8.502 -6.788 -3.292 46 HZ3 LYS 26 HZ3 LYS 26 -7.458 -5.734 -4.101 47 H LYS 27 H LYS 27 -6.683 -1.600 -5.038 48 HA LYS 27 HA LYS 27 -5.745 0.955 -5.582 49 HB2 LYS 27 HB2 LYS 27 -4.982 -1.283 -6.601 50 HB3 LYS 27 HB3 LYS 27 -6.306 -1.127 -7.742 51 HG2 LYS 27 HG2 LYS 27 -4.139 0.988 -7.475 52 HG3 LYS 27 HG3 LYS 27 -3.954 -0.417 -8.521 53 HD2 LYS 27 HD2 LYS 27 -5.881 0.280 -9.871 54 HD3 LYS 27 HD3 LYS 27 -6.200 1.629 -8.782 55 HE2 LYS 27 HE2 LYS 27 -4.060 2.665 -9.429 56 HE3 LYS 27 HE3 LYS 27 -3.712 1.300 -10.487 57 HZ1 LYS 27 HZ1 LYS 27 -5.965 3.200 -10.779 58 HZ2 LYS 27 HZ2 LYS 27 -5.682 1.866 -11.774 59 HZ3 LYS 27 HZ3 LYS 27 -4.575 3.140 -11.737 60 H THR 28 H THR 28 -8.785 -0.558 -6.670 61 HA THR 28 HA THR 28 -9.586 1.283 -8.626 62 HB THR 28 HB THR 28 -11.386 -0.341 -6.775 63 HG1 THR 28 HG1 THR 28 -9.932 -0.971 -9.123 64 HG21 THR 28 HG21 THR 28 -12.645 1.410 -8.019 65 HG22 THR 28 HG22 THR 28 -13.062 -0.211 -8.588 66 HG23 THR 28 HG23 THR 28 -11.974 0.809 -9.535 67 H ASP 29 H ASP 29 -10.374 1.235 -5.131 68 HA ASP 29 HA ASP 29 -11.913 3.681 -5.287 69 HB2 ASP 29 HB2 ASP 29 -12.410 1.791 -3.667 70 HB3 ASP 29 HB3 ASP 29 -10.965 2.245 -2.770 71 H PHE 30 H PHE 30 -8.676 2.751 -4.127 72 HA PHE 30 HA PHE 30 -7.734 5.184 -3.204 73 HB2 PHE 30 HB2 PHE 30 -6.365 3.197 -2.947 74 HB3 PHE 30 HB3 PHE 30 -6.254 2.975 -4.692 75 HD1 PHE 30 HD1 PHE 30 -5.238 5.216 -1.900 76 HD2 PHE 30 HD2 PHE 30 -4.530 4.086 -5.961 77 HE1 PHE 30 HE1 PHE 30 -3.247 6.626 -1.951 78 HE2 PHE 30 HE2 PHE 30 -2.530 5.504 -5.996 79 HZ PHE 30 HZ PHE 30 -1.898 6.775 -3.990 80 H ASP 31 H ASP 31 -8.056 4.087 -6.561 81 HA ASP 31 HA ASP 31 -6.310 5.847 -7.856 82 HB2 ASP 31 HB2 ASP 31 -7.377 3.842 -8.921 83 HB3 ASP 31 HB3 ASP 31 -8.913 4.697 -8.958 84 H LYS 32 H LYS 32 -9.688 6.186 -7.037 85 HA LYS 32 HA LYS 32 -10.486 8.578 -8.166 86 HB2 LYS 32 HB2 LYS 32 -11.160 7.469 -5.402 87 HB3 LYS 32 HB3 LYS 32 -12.116 8.670 -6.267 88 HG2 LYS 32 HG2 LYS 32 -12.866 7.094 -7.867 89 HG3 LYS 32 HG3 LYS 32 -11.586 5.948 -7.469 90 HD2 LYS 32 HD2 LYS 32 -13.788 5.201 -6.629 91 HD3 LYS 32 HD3 LYS 32 -12.626 5.441 -5.326 92 HE2 LYS 32 HE2 LYS 32 -13.676 7.694 -4.908 93 HE3 LYS 32 HE3 LYS 32 -14.909 7.277 -6.098 94 HZ1 LYS 32 HZ1 LYS 32 -15.560 5.419 -4.727 95 HZ2 LYS 32 HZ2 LYS 32 -15.615 6.845 -3.821 96 HZ3 LYS 32 HZ3 LYS 32 -14.335 5.761 -3.616 97 H VAL 33 H VAL 33 -8.526 8.062 -5.261 98 HA VAL 33 HA VAL 33 -8.243 10.991 -4.827 99 HB VAL 33 HB VAL 33 -7.767 10.487 -2.434 100 HG11 VAL 33 HG11 VAL 33 -10.406 9.306 -3.383 101 HG12 VAL 33 HG12 VAL 33 -10.083 11.012 -3.073 102 HG13 VAL 33 HG13 VAL 33 -10.057 9.857 -1.741 103 HG21 VAL 33 HG21 VAL 33 -6.836 8.211 -2.649 104 HG22 VAL 33 HG22 VAL 33 -8.413 7.589 -3.145 105 HG23 VAL 33 HG23 VAL 33 -8.185 8.213 -1.510 106 H ALA 34 H ALA 34 -6.622 8.967 -6.538 107 HA ALA 34 HA ALA 34 -4.163 8.398 -5.276 108 HB1 ALA 34 HB1 ALA 34 -3.280 7.965 -7.532 109 HB2 ALA 34 HB2 ALA 34 -4.680 8.777 -8.240 110 HB3 ALA 34 HB3 ALA 34 -4.895 7.280 -7.338 111 H SER 35 H SER 35 -5.254 11.326 -6.891 112 HA SER 35 HA SER 35 -2.756 12.629 -7.253 113 HB2 SER 35 HB2 SER 35 -4.146 14.688 -7.545 114 HB3 SER 35 HB3 SER 35 -4.761 13.328 -8.481 115 HG SER 35 HG SER 35 -5.756 14.285 -5.994 116 H GLU 36 H GLU 36 -4.695 12.108 -4.428 117 HA GLU 36 HA GLU 36 -3.634 14.284 -2.835 118 HB2 GLU 36 HB2 GLU 36 -5.016 11.747 -1.860 119 HB3 GLU 36 HB3 GLU 36 -4.826 13.249 -0.967 120 HG2 GLU 36 HG2 GLU 36 -6.621 12.691 -3.336 121 HG3 GLU 36 HG3 GLU 36 -7.098 13.108 -1.692 122 H TYR 37 H TYR 37 -2.317 11.409 -3.988 123 HA TYR 37 HA TYR 37 -0.386 11.155 -1.754 124 HB2 TYR 37 HB2 TYR 37 -1.717 8.862 -3.275 125 HB3 TYR 37 HB3 TYR 37 -0.469 8.685 -2.041 126 HD1 TYR 37 HD1 TYR 37 -0.993 9.263 0.339 127 HD2 TYR 37 HD2 TYR 37 -4.050 9.230 -2.638 128 HE1 TYR 37 HE1 TYR 37 -2.695 9.329 2.095 129 HE2 TYR 37 HE2 TYR 37 -5.764 9.248 -0.885 130 HH TYR 37 HH TYR 37 -5.954 8.635 1.524 131 H THR 38 H THR 38 1.690 10.325 -2.369 132 HA THR 38 HA THR 38 2.282 10.270 -5.280 133 HB THR 38 HB THR 38 3.137 12.395 -4.376 134 HG1 THR 38 HG1 THR 38 5.553 11.121 -4.702 135 HG21 THR 38 HG21 THR 38 4.950 12.512 -2.735 136 HG22 THR 38 HG22 THR 38 4.887 10.763 -2.512 137 HG23 THR 38 HG23 THR 38 3.521 11.764 -2.015 138 H LYS 39 H LYS 39 3.507 8.581 -5.972 139 HA LYS 39 HA LYS 39 3.692 6.302 -4.246 140 HB2 LYS 39 HB2 LYS 39 3.062 6.080 -6.600 141 HB3 LYS 39 HB3 LYS 39 4.616 6.727 -7.118 142 HG2 LYS 39 HG2 LYS 39 5.765 4.758 -6.227 143 HG3 LYS 39 HG3 LYS 39 4.241 4.128 -5.591 144 HD2 LYS 39 HD2 LYS 39 3.356 3.864 -7.862 145 HD3 LYS 39 HD3 LYS 39 4.804 4.611 -8.546 146 HE2 LYS 39 HE2 LYS 39 6.175 2.739 -7.737 147 HE3 LYS 39 HE3 LYS 39 4.760 2.011 -6.974 148 HZ1 LYS 39 HZ1 LYS 39 5.071 2.471 -9.888 149 HZ2 LYS 39 HZ2 LYS 39 3.774 1.698 -9.123 150 HZ3 LYS 39 HZ3 LYS 39 5.310 0.994 -9.095 151 H ILE 40 H ILE 40 5.345 5.833 -2.923 152 HA ILE 40 HA ILE 40 8.017 6.997 -3.450 153 HB ILE 40 HB ILE 40 8.549 6.618 -1.094 154 HG12 ILE 40 HG12 ILE 40 5.692 5.585 -0.738 155 HG13 ILE 40 HG13 ILE 40 7.123 4.562 -0.742 156 HG21 ILE 40 HG21 ILE 40 7.010 8.272 -0.081 157 HG22 ILE 40 HG22 ILE 40 5.890 8.066 -1.429 158 HG23 ILE 40 HG23 ILE 40 7.493 8.753 -1.708 159 HD11 ILE 40 HD11 ILE 40 6.385 4.952 1.511 160 HD12 ILE 40 HD12 ILE 40 6.449 6.696 1.277 161 HD13 ILE 40 HD13 ILE 40 7.939 5.750 1.268 162 H GLY 41 H GLY 41 6.358 4.144 -3.930 163 HA2 GLY 41 HA2 GLY 41 8.390 2.751 -5.099 164 HA3 GLY 41 HA3 GLY 41 8.469 2.241 -3.415 165 H THR 42 H THR 42 8.068 0.247 -4.968 166 HA THR 42 HA THR 42 5.261 -0.533 -4.370 167 HB THR 42 HB THR 42 7.032 -1.590 -6.634 168 HG1 THR 42 HG1 THR 42 4.501 -0.577 -7.151 169 HG21 THR 42 HG21 THR 42 4.194 -2.446 -5.888 170 HG22 THR 42 HG22 THR 42 5.645 -3.419 -5.648 171 HG23 THR 42 HG23 THR 42 5.121 -3.016 -7.280 172 H ILE 43 H ILE 43 5.150 -2.164 -2.878 173 HA ILE 43 HA ILE 43 7.557 -3.796 -2.333 174 HB ILE 43 HB ILE 43 6.713 -4.206 -0.063 175 HG12 ILE 43 HG12 ILE 43 4.422 -2.288 -0.714 176 HG13 ILE 43 HG13 ILE 43 4.257 -4.035 -0.576 177 HG21 ILE 43 HG21 ILE 43 6.807 -1.230 -0.687 178 HG22 ILE 43 HG22 ILE 43 8.197 -2.278 -0.394 179 HG23 ILE 43 HG23 ILE 43 7.049 -1.958 0.905 180 HD11 ILE 43 HD11 ILE 43 3.480 -2.944 1.422 181 HD12 ILE 43 HD12 ILE 43 5.033 -2.139 1.632 182 HD13 ILE 43 HD13 ILE 43 4.921 -3.894 1.786 183 H SER 44 H SER 44 7.020 -5.931 -1.420 184 HA SER 44 HA SER 44 4.643 -7.257 -2.534 185 HB2 SER 44 HB2 SER 44 6.393 -7.708 -4.156 186 HB3 SER 44 HB3 SER 44 7.561 -8.067 -2.898 187 HG SER 44 HG SER 44 5.260 -9.640 -2.937 188 H THR 45 H THR 45 4.101 -9.204 -1.442 189 HA THR 45 HA THR 45 4.499 -9.094 1.383 190 HB THR 45 HB THR 45 3.084 -11.168 -0.340 191 HG1 THR 45 HG1 THR 45 2.013 -8.962 1.122 192 HG21 THR 45 HG21 THR 45 1.863 -11.769 1.714 193 HG22 THR 45 HG22 THR 45 2.845 -10.634 2.641 194 HG23 THR 45 HG23 THR 45 3.592 -12.054 1.907 195 H THR 46 H THR 46 5.777 -10.401 2.668 196 HA THR 46 HA THR 46 7.935 -11.908 1.535 197 HB THR 46 HB THR 46 7.060 -11.768 4.461 198 HG1 THR 46 HG1 THR 46 7.707 -9.780 4.378 199 HG21 THR 46 HG21 THR 46 9.782 -12.395 3.237 200 HG22 THR 46 HG22 THR 46 8.719 -13.554 4.039 201 HG23 THR 46 HG23 THR 46 9.442 -12.237 4.961 202 H GLY 47 H GLY 47 7.074 -13.624 0.397 203 HA2 GLY 47 HA2 GLY 47 6.543 -15.889 0.222 204 HA3 GLY 47 HA3 GLY 47 5.989 -15.897 1.893 205 H GLU 48 H GLU 48 4.557 -17.133 -0.146 206 HA GLU 48 HA GLU 48 2.304 -15.445 -0.873 207 HB2 GLU 48 HB2 GLU 48 2.727 -18.438 -1.268 208 HB3 GLU 48 HB3 GLU 48 1.396 -17.499 -1.930 209 HG2 GLU 48 HG2 GLU 48 2.825 -17.697 -3.755 210 HG3 GLU 48 HG3 GLU 48 3.230 -16.106 -3.128 211 H MET 49 H MET 49 1.248 -14.843 0.958 212 HA MET 49 HA MET 49 0.381 -16.913 2.892 213 HB2 MET 49 HB2 MET 49 0.930 -13.942 3.339 214 HB3 MET 49 HB3 MET 49 0.206 -14.999 4.544 215 HG2 MET 49 HG2 MET 49 2.270 -16.425 4.452 216 HG3 MET 49 HG3 MET 49 2.998 -15.214 3.398 217 HE1 MET 49 HE1 MET 49 2.022 -12.451 4.646 218 HE2 MET 49 HE2 MET 49 3.700 -12.782 4.203 219 HE3 MET 49 HE3 MET 49 3.323 -12.129 5.796 220 H SER 50 H SER 50 -1.588 -16.342 4.091 221 HA SER 50 HA SER 50 -3.883 -16.129 2.452 222 HB2 SER 50 HB2 SER 50 -3.677 -15.864 5.489 223 HB3 SER 50 HB3 SER 50 -5.097 -16.365 4.569 224 HG SER 50 HG SER 50 -2.925 -17.811 5.375 225 HA PRO 51 HA PRO 51 -4.878 -11.917 1.729 226 HB2 PRO 51 HB2 PRO 51 -7.321 -12.036 3.519 227 HB3 PRO 51 HB3 PRO 51 -7.175 -11.456 1.845 228 HG2 PRO 51 HG2 PRO 51 -8.236 -13.828 2.342 229 HG3 PRO 51 HG3 PRO 51 -7.144 -13.599 0.956 230 HD2 PRO 51 HD2 PRO 51 -6.599 -14.928 3.592 231 HD3 PRO 51 HD3 PRO 51 -5.983 -15.337 1.977 232 H LEU 52 H LEU 52 -5.817 -12.362 5.180 233 HA LEU 52 HA LEU 52 -5.239 -9.633 5.836 234 HB2 LEU 52 HB2 LEU 52 -5.802 -12.024 7.633 235 HB3 LEU 52 HB3 LEU 52 -5.575 -10.394 8.237 236 HG LEU 52 HG LEU 52 -7.926 -10.816 8.222 237 HD11 LEU 52 HD11 LEU 52 -7.308 -9.086 5.823 238 HD12 LEU 52 HD12 LEU 52 -7.305 -8.576 7.512 239 HD13 LEU 52 HD13 LEU 52 -8.811 -9.088 6.755 240 HD21 LEU 52 HD21 LEU 52 -7.984 -12.722 6.684 241 HD22 LEU 52 HD22 LEU 52 -7.743 -11.640 5.311 242 HD23 LEU 52 HD23 LEU 52 -9.215 -11.529 6.279 243 H ASP 53 H ASP 53 -3.503 -12.712 6.268 244 HA ASP 53 HA ASP 53 -1.328 -11.808 7.835 245 HB2 ASP 53 HB2 ASP 53 -1.402 -14.035 5.748 246 HB3 ASP 53 HB3 ASP 53 -0.108 -13.811 6.922 247 H ALA 54 H ALA 54 -1.859 -11.834 4.366 248 HA ALA 54 HA ALA 54 0.684 -10.970 3.481 249 HB1 ALA 54 HB1 ALA 54 -0.957 -12.055 1.977 250 HB2 ALA 54 HB2 ALA 54 -0.461 -10.485 1.339 251 HB3 ALA 54 HB3 ALA 54 -2.030 -10.664 2.129 252 H ARG 55 H ARG 55 -2.346 -9.308 4.259 253 HA ARG 55 HA ARG 55 -1.616 -6.652 3.645 254 HB2 ARG 55 HB2 ARG 55 -3.621 -7.689 5.685 255 HB3 ARG 55 HB3 ARG 55 -3.483 -6.000 5.200 256 HG2 ARG 55 HG2 ARG 55 -4.118 -6.543 2.924 257 HG3 ARG 55 HG3 ARG 55 -4.118 -8.267 3.299 258 HD2 ARG 55 HD2 ARG 55 -5.915 -7.710 5.057 259 HD3 ARG 55 HD3 ARG 55 -6.045 -6.140 4.249 260 HE ARG 55 HE ARG 55 -6.249 -8.392 2.477 261 HH11 ARG 55 HH11 ARG 55 -8.100 -6.275 4.576 262 HH12 ARG 55 HH12 ARG 55 -9.605 -6.613 3.765 263 HH21 ARG 55 HH21 ARG 55 -8.205 -8.862 1.485 264 HH22 ARG 55 HH22 ARG 55 -9.660 -8.076 2.015 265 H GLU 56 H GLU 56 -1.320 -8.527 6.658 266 HA GLU 56 HA GLU 56 -0.523 -6.473 8.415 267 HB2 GLU 56 HB2 GLU 56 0.043 -9.465 8.413 268 HB3 GLU 56 HB3 GLU 56 0.502 -8.416 9.749 269 HG2 GLU 56 HG2 GLU 56 -2.328 -8.894 8.764 270 HG3 GLU 56 HG3 GLU 56 -1.598 -9.632 10.185 271 H ASP 57 H ASP 57 1.319 -8.679 6.391 272 HA ASP 57 HA ASP 57 3.938 -7.837 7.037 273 HB2 ASP 57 HB2 ASP 57 3.401 -9.956 5.868 274 HB3 ASP 57 HB3 ASP 57 2.831 -9.051 4.467 275 H LEU 58 H LEU 58 1.705 -6.894 4.447 276 HA LEU 58 HA LEU 58 3.372 -5.055 3.101 277 HB2 LEU 58 HB2 LEU 58 0.343 -5.301 3.194 278 HB3 LEU 58 HB3 LEU 58 1.192 -4.213 2.109 279 HG LEU 58 HG LEU 58 1.456 -7.245 2.076 280 HD11 LEU 58 HD11 LEU 58 -0.771 -6.567 1.347 281 HD12 LEU 58 HD12 LEU 58 0.171 -7.195 -0.001 282 HD13 LEU 58 HD13 LEU 58 -0.068 -5.454 0.168 283 HD21 LEU 58 HD21 LEU 58 2.659 -6.967 -0.042 284 HD22 LEU 58 HD22 LEU 58 3.505 -6.149 1.268 285 HD23 LEU 58 HD23 LEU 58 2.559 -5.209 0.112 286 H ILE 59 H ILE 59 0.989 -4.562 5.704 287 HA ILE 59 HA ILE 59 1.061 -1.738 5.883 288 HB ILE 59 HB ILE 59 0.401 -3.861 7.982 289 HG12 ILE 59 HG12 ILE 59 -1.491 -1.959 6.517 290 HG13 ILE 59 HG13 ILE 59 -1.148 -3.596 5.976 291 HG21 ILE 59 HG21 ILE 59 1.136 -1.879 9.211 292 HG22 ILE 59 HG22 ILE 59 -0.609 -2.051 9.375 293 HG23 ILE 59 HG23 ILE 59 0.057 -0.845 8.272 294 HD11 ILE 59 HD11 ILE 59 -3.258 -3.495 7.151 295 HD12 ILE 59 HD12 ILE 59 -2.467 -2.835 8.583 296 HD13 ILE 59 HD13 ILE 59 -2.112 -4.484 8.057 297 H LYS 60 H LYS 60 2.745 -4.271 7.732 298 HA LYS 60 HA LYS 60 4.325 -2.770 9.440 299 HB2 LYS 60 HB2 LYS 60 4.148 -5.161 9.688 300 HB3 LYS 60 HB3 LYS 60 4.775 -5.446 8.071 301 HG2 LYS 60 HG2 LYS 60 7.010 -4.714 8.785 302 HG3 LYS 60 HG3 LYS 60 6.395 -4.365 10.403 303 HD2 LYS 60 HD2 LYS 60 7.585 -6.526 10.325 304 HD3 LYS 60 HD3 LYS 60 5.888 -6.741 10.752 305 HE2 LYS 60 HE2 LYS 60 5.407 -7.412 8.400 306 HE3 LYS 60 HE3 LYS 60 7.121 -7.237 8.015 307 HZ1 LYS 60 HZ1 LYS 60 6.561 -9.521 8.443 308 HZ2 LYS 60 HZ2 LYS 60 5.946 -9.136 9.967 309 HZ3 LYS 60 HZ3 LYS 60 7.599 -8.957 9.653 310 H LYS 61 H LYS 61 5.282 -4.044 6.255 311 HA LYS 61 HA LYS 61 7.895 -2.899 6.345 312 HB2 LYS 61 HB2 LYS 61 6.300 -4.354 4.215 313 HB3 LYS 61 HB3 LYS 61 7.925 -3.748 3.897 314 HG2 LYS 61 HG2 LYS 61 8.926 -5.233 5.426 315 HG3 LYS 61 HG3 LYS 61 7.422 -5.506 6.299 316 HD2 LYS 61 HD2 LYS 61 8.137 -7.472 4.999 317 HD3 LYS 61 HD3 LYS 61 6.555 -6.875 4.503 318 HE2 LYS 61 HE2 LYS 61 7.596 -5.787 2.541 319 HE3 LYS 61 HE3 LYS 61 9.175 -6.403 3.042 320 HZ1 LYS 61 HZ1 LYS 61 7.982 -7.731 1.314 321 HZ2 LYS 61 HZ2 LYS 61 6.847 -8.147 2.497 322 HZ3 LYS 61 HZ3 LYS 61 8.464 -8.610 2.677 323 H ALA 62 H ALA 62 4.900 -1.995 4.607 324 HA ALA 62 HA ALA 62 5.960 0.185 3.136 325 HB1 ALA 62 HB1 ALA 62 3.128 -0.160 4.185 326 HB2 ALA 62 HB2 ALA 62 3.744 -0.778 2.654 327 HB3 ALA 62 HB3 ALA 62 3.637 0.962 2.913 328 H ASP 63 H ASP 63 4.643 -0.052 6.418 329 HA ASP 63 HA ASP 63 4.616 2.740 6.975 330 HB2 ASP 63 HB2 ASP 63 3.366 0.878 8.244 331 HB3 ASP 63 HB3 ASP 63 4.889 0.531 9.058 332 H GLU 64 H GLU 64 6.999 0.149 7.543 333 HA GLU 64 HA GLU 64 9.002 1.756 8.752 334 HB2 GLU 64 HB2 GLU 64 9.235 -0.807 7.131 335 HB3 GLU 64 HB3 GLU 64 10.568 -0.094 8.033 336 HG2 GLU 64 HG2 GLU 64 7.967 -1.072 9.258 337 HG3 GLU 64 HG3 GLU 64 9.473 -1.989 9.215 338 H LYS 65 H LYS 65 8.113 1.293 5.328 339 HA LYS 65 HA LYS 65 10.341 2.841 4.291 340 HB2 LYS 65 HB2 LYS 65 7.631 2.337 2.985 341 HB3 LYS 65 HB3 LYS 65 9.078 2.927 2.174 342 HG2 LYS 65 HG2 LYS 65 8.699 0.176 3.386 343 HG3 LYS 65 HG3 LYS 65 8.682 0.574 1.669 344 HD2 LYS 65 HD2 LYS 65 11.060 1.249 1.796 345 HD3 LYS 65 HD3 LYS 65 11.081 0.888 3.525 346 HE2 LYS 65 HE2 LYS 65 10.573 -1.491 3.012 347 HE3 LYS 65 HE3 LYS 65 10.614 -1.112 1.289 348 HZ1 LYS 65 HZ1 LYS 65 12.683 -2.072 2.042 349 HZ2 LYS 65 HZ2 LYS 65 12.881 -0.835 3.178 350 HZ3 LYS 65 HZ3 LYS 65 12.925 -0.479 1.527 351 H GLY 66 H GLY 66 7.450 3.671 5.942 352 HA2 GLY 66 HA2 GLY 66 6.952 5.816 6.779 353 HA3 GLY 66 HA3 GLY 66 7.880 6.545 5.480 354 H ALA 67 H ALA 67 5.873 4.140 4.233 355 HA ALA 67 HA ALA 67 4.223 5.941 2.792 356 HB1 ALA 67 HB1 ALA 67 3.897 2.951 3.149 357 HB2 ALA 67 HB2 ALA 67 4.863 3.745 1.906 358 HB3 ALA 67 HB3 ALA 67 3.107 3.936 1.914 359 H ASP 68 H ASP 68 2.118 6.508 3.010 360 HA ASP 68 HA ASP 68 0.780 6.126 5.581 361 HB2 ASP 68 HB2 ASP 68 0.111 7.871 3.175 362 HB3 ASP 68 HB3 ASP 68 -0.836 7.823 4.661 363 H VAL 69 H VAL 69 0.300 5.396 2.113 364 HA VAL 69 HA VAL 69 -1.939 3.594 2.891 365 HB VAL 69 HB VAL 69 -1.767 5.247 0.325 366 HG11 VAL 69 HG11 VAL 69 -3.932 3.289 1.221 367 HG12 VAL 69 HG12 VAL 69 -2.811 3.052 -0.119 368 HG13 VAL 69 HG13 VAL 69 -4.023 4.329 -0.205 369 HG21 VAL 69 HG21 VAL 69 -3.707 5.482 2.669 370 HG22 VAL 69 HG22 VAL 69 -3.786 6.415 1.171 371 HG23 VAL 69 HG23 VAL 69 -2.421 6.623 2.267 372 H VAL 70 H VAL 70 -1.763 1.591 2.288 373 HA VAL 70 HA VAL 70 0.294 0.639 0.408 374 HB VAL 70 HB VAL 70 -1.465 -1.083 2.223 375 HG11 VAL 70 HG11 VAL 70 1.250 -1.611 0.955 376 HG12 VAL 70 HG12 VAL 70 -0.297 -2.283 0.439 377 HG13 VAL 70 HG13 VAL 70 0.373 -2.725 2.007 378 HG21 VAL 70 HG21 VAL 70 0.338 -1.118 3.911 379 HG22 VAL 70 HG22 VAL 70 -0.348 0.495 3.719 380 HG23 VAL 70 HG23 VAL 70 1.216 0.112 2.999 381 H VAL 71 H VAL 71 -0.497 0.448 -1.617 382 HA VAL 71 HA VAL 71 -3.408 0.268 -2.070 383 HB VAL 71 HB VAL 71 -1.159 1.045 -3.983 384 HG11 VAL 71 HG11 VAL 71 -3.135 0.245 -5.196 385 HG12 VAL 71 HG12 VAL 71 -2.948 1.984 -5.411 386 HG13 VAL 71 HG13 VAL 71 -4.169 1.360 -4.300 387 HG21 VAL 71 HG21 VAL 71 -1.314 2.630 -2.110 388 HG22 VAL 71 HG22 VAL 71 -3.041 2.846 -2.408 389 HG23 VAL 71 HG23 VAL 71 -1.864 3.382 -3.608 390 H LEU 72 H LEU 72 -4.038 -1.824 -2.224 391 HA LEU 72 HA LEU 72 -2.473 -3.996 -3.144 392 HB2 LEU 72 HB2 LEU 72 -5.510 -3.815 -3.000 393 HB3 LEU 72 HB3 LEU 72 -4.591 -5.295 -3.219 394 HG LEU 72 HG LEU 72 -4.684 -3.559 -0.722 395 HD11 LEU 72 HD11 LEU 72 -6.641 -4.995 -1.017 396 HD12 LEU 72 HD12 LEU 72 -5.666 -5.530 0.348 397 HD13 LEU 72 HD13 LEU 72 -5.601 -6.412 -1.180 398 HD21 LEU 72 HD21 LEU 72 -2.975 -6.029 -1.195 399 HD22 LEU 72 HD22 LEU 72 -3.185 -5.198 0.349 400 HD23 LEU 72 HD23 LEU 72 -2.387 -4.376 -0.988 401 H THR 73 H THR 73 -1.565 -3.457 -5.122 402 HA THR 73 HA THR 73 -3.212 -2.912 -7.457 403 HB THR 73 HB THR 73 -0.957 -2.947 -8.659 404 HG1 THR 73 HG1 THR 73 0.780 -2.673 -6.835 405 HG21 THR 73 HG21 THR 73 -1.205 -1.075 -6.271 406 HG22 THR 73 HG22 THR 73 -1.980 -0.838 -7.839 407 HG23 THR 73 HG23 THR 73 -0.221 -0.786 -7.709 408 H SER 74 H SER 74 -1.757 -5.658 -5.895 409 HA SER 74 HA SER 74 -2.695 -7.512 -7.954 410 HB2 SER 74 HB2 SER 74 -2.025 -9.273 -6.298 411 HB3 SER 74 HB3 SER 74 -0.705 -8.152 -6.630 412 HG SER 74 HG SER 74 -1.771 -7.040 -4.632 413 H GLY 75 H GLY 75 -4.520 -8.912 -7.605 414 HA2 GLY 75 HA2 GLY 75 -6.789 -7.755 -6.338 415 HA3 GLY 75 HA3 GLY 75 -6.686 -9.371 -7.011 416 H GLN 76 H GLN 76 -4.403 -10.042 -5.270 417 HA GLN 76 HA GLN 76 -3.984 -11.229 -3.405 418 HB2 GLN 76 HB2 GLN 76 -4.126 -8.851 -2.485 419 HB3 GLN 76 HB3 GLN 76 -5.769 -9.214 -1.975 420 HG2 GLN 76 HG2 GLN 76 -4.943 -10.950 -0.458 421 HG3 GLN 76 HG3 GLN 76 -3.286 -10.674 -1.011 422 HE21 GLN 76 HE21 GLN 76 -2.195 -8.816 -0.297 423 HE22 GLN 76 HE22 GLN 76 -2.774 -7.848 1.009 424 H THR 77 H THR 77 -5.989 -12.131 -5.076 425 HA THR 77 HA THR 77 -8.335 -12.992 -3.565 426 HB THR 77 HB THR 77 -8.493 -12.145 -5.910 427 HG1 THR 77 HG1 THR 77 -9.362 -14.849 -5.666 428 HG21 THR 77 HG21 THR 77 -7.881 -13.581 -7.817 429 HG22 THR 77 HG22 THR 77 -7.145 -14.743 -6.713 430 HG23 THR 77 HG23 THR 77 -6.452 -13.129 -6.884 431 H GLU 78 H GLU 78 -5.430 -14.058 -3.285 432 HA GLU 78 HA GLU 78 -4.576 -15.814 -2.146 433 HB2 GLU 78 HB2 GLU 78 -7.296 -17.125 -2.487 434 HB3 GLU 78 HB3 GLU 78 -5.997 -17.762 -1.484 435 HG2 GLU 78 HG2 GLU 78 -6.130 -15.863 0.000 436 HG3 GLU 78 HG3 GLU 78 -7.285 -15.056 -1.056 437 H ASN 79 H ASN 79 -5.632 -16.051 -5.343 438 HA ASN 79 HA ASN 79 -4.827 -18.771 -5.851 439 HB2 ASN 79 HB2 ASN 79 -5.619 -16.549 -7.770 440 HB3 ASN 79 HB3 ASN 79 -5.356 -18.231 -8.221 441 HD21 ASN 79 HD21 ASN 79 -6.654 -19.333 -5.850 442 HD22 ASN 79 HD22 ASN 79 -8.340 -19.049 -6.045 443 H LYS 80 H LYS 80 -2.690 -18.743 -5.117 444 HA LYS 80 HA LYS 80 -0.464 -18.598 -5.170 445 HB2 LYS 80 HB2 LYS 80 -0.949 -18.482 -8.178 446 HB3 LYS 80 HB3 LYS 80 0.624 -18.769 -7.443 447 HG2 LYS 80 HG2 LYS 80 -0.132 -20.924 -8.024 448 HG3 LYS 80 HG3 LYS 80 -0.455 -20.816 -6.294 449 HD2 LYS 80 HD2 LYS 80 -2.856 -20.135 -6.936 450 HD3 LYS 80 HD3 LYS 80 -2.449 -20.612 -8.584 451 HE2 LYS 80 HE2 LYS 80 -2.378 -22.419 -6.141 452 HE3 LYS 80 HE3 LYS 80 -3.642 -22.401 -7.368 453 HZ1 LYS 80 HZ1 LYS 80 -2.154 -24.203 -7.780 454 HZ2 LYS 80 HZ2 LYS 80 -0.809 -23.183 -7.753 455 HZ3 LYS 80 HZ3 LYS 80 -1.938 -23.054 -9.003 456 H ILE 81 H ILE 81 -0.980 -16.493 -4.116 457 HA ILE 81 HA ILE 81 -0.211 -14.112 -5.689 458 HB ILE 81 HB ILE 81 -1.234 -12.762 -3.843 459 HG12 ILE 81 HG12 ILE 81 -2.371 -15.386 -2.750 460 HG13 ILE 81 HG13 ILE 81 -1.015 -14.546 -2.014 461 HG21 ILE 81 HG21 ILE 81 -3.105 -14.784 -5.121 462 HG22 ILE 81 HG22 ILE 81 -2.529 -13.283 -5.849 463 HG23 ILE 81 HG23 ILE 81 -3.586 -13.224 -4.440 464 HD11 ILE 81 HD11 ILE 81 -3.824 -13.489 -2.289 465 HD12 ILE 81 HD12 ILE 81 -2.464 -12.613 -1.580 466 HD13 ILE 81 HD13 ILE 81 -3.051 -14.091 -0.822 467 H HIS 82 H HIS 82 1.960 -13.737 -5.545 468 HA HIS 82 HA HIS 82 3.450 -14.077 -3.082 469 HB2 HIS 82 HB2 HIS 82 5.334 -13.016 -4.230 470 HB3 HIS 82 HB3 HIS 82 4.587 -14.180 -5.311 471 HD1 HIS 82 HD1 HIS 82 3.731 -13.303 -7.538 472 HD2 HIS 82 HD2 HIS 82 4.908 -10.254 -4.969 473 HE1 HIS 82 HE1 HIS 82 3.752 -11.216 -8.935 474 HE2 HIS 82 HE2 HIS 82 4.292 -9.362 -7.314 475 H GLY 83 H GLY 83 1.173 -11.853 -4.129 476 HA2 GLY 83 HA2 GLY 83 0.237 -10.026 -3.124 477 HA3 GLY 83 HA3 GLY 83 1.422 -10.162 -1.833 478 H THR 84 H THR 84 0.398 -8.099 -4.179 479 HA THR 84 HA THR 84 2.975 -6.670 -4.153 480 HB THR 84 HB THR 84 1.276 -6.707 -6.684 481 HG1 THR 84 HG1 THR 84 1.934 -8.745 -6.735 482 HG21 THR 84 HG21 THR 84 3.376 -5.905 -7.738 483 HG22 THR 84 HG22 THR 84 4.204 -5.991 -6.178 484 HG23 THR 84 HG23 THR 84 2.890 -4.833 -6.423 485 H ALA 85 H ALA 85 2.762 -4.588 -3.646 486 HA ALA 85 HA ALA 85 0.210 -3.179 -3.942 487 HB1 ALA 85 HB1 ALA 85 0.170 -2.509 -1.571 488 HB2 ALA 85 HB2 ALA 85 1.575 -3.531 -1.249 489 HB3 ALA 85 HB3 ALA 85 0.047 -4.262 -1.739 490 H ASP 86 H ASP 86 0.577 -1.166 -4.586 491 HA ASP 86 HA ASP 86 3.296 -0.059 -4.612 492 HB2 ASP 86 HB2 ASP 86 0.656 0.939 -5.778 493 HB3 ASP 86 HB3 ASP 86 2.150 1.873 -5.843 494 H ILE 87 H ILE 87 4.001 1.423 -3.175 495 HA ILE 87 HA ILE 87 2.152 2.134 -0.987 496 HB ILE 87 HB ILE 87 4.176 2.455 0.397 497 HG12 ILE 87 HG12 ILE 87 5.740 1.438 -2.019 498 HG13 ILE 87 HG13 ILE 87 5.790 3.085 -1.411 499 HG21 ILE 87 HG21 ILE 87 4.776 0.057 0.572 500 HG22 ILE 87 HG22 ILE 87 4.027 -0.245 -0.996 501 HG23 ILE 87 HG23 ILE 87 3.038 0.281 0.368 502 HD11 ILE 87 HD11 ILE 87 7.749 1.805 -0.775 503 HD12 ILE 87 HD12 ILE 87 6.735 0.639 0.073 504 HD13 ILE 87 HD13 ILE 87 6.830 2.307 0.644 505 H TYR 88 H TYR 88 1.802 4.171 -0.359 506 HA TYR 88 HA TYR 88 2.841 6.376 -2.032 507 HB2 TYR 88 HB2 TYR 88 -0.043 5.567 -1.561 508 HB3 TYR 88 HB3 TYR 88 0.363 7.235 -1.929 509 HD1 TYR 88 HD2 TYR 88 0.710 3.748 -3.306 510 HD2 TYR 88 HD1 TYR 88 0.557 7.923 -4.198 511 HE1 TYR 88 HE2 TYR 88 0.562 3.237 -5.699 512 HE2 TYR 88 HE1 TYR 88 0.404 7.409 -6.593 513 HH TYR 88 HH TYR 88 0.939 5.605 -8.132 514 H LYS 89 H LYS 89 2.549 8.425 -1.187 515 HA LYS 89 HA LYS 89 2.697 8.628 1.761 516 HB2 LYS 89 HB2 LYS 89 4.793 8.989 0.254 517 HB3 LYS 89 HB3 LYS 89 3.995 10.427 -0.340 518 HG2 LYS 89 HG2 LYS 89 5.540 11.135 1.308 519 HG3 LYS 89 HG3 LYS 89 3.938 11.276 2.043 520 HD2 LYS 89 HD2 LYS 89 4.278 9.179 3.272 521 HD3 LYS 89 HD3 LYS 89 5.829 8.923 2.463 522 HE2 LYS 89 HE2 LYS 89 6.683 11.008 3.520 523 HE3 LYS 89 HE3 LYS 89 5.152 11.177 4.379 524 HZ1 LYS 89 HZ1 LYS 89 6.775 10.187 5.792 525 HZ2 LYS 89 HZ2 LYS 89 7.119 8.980 4.660 526 HZ3 LYS 89 HZ3 LYS 89 5.609 9.016 5.423 527 H LYS 90 H LYS 90 1.238 10.065 2.680 528 HA LYS 90 HA LYS 90 -0.742 11.365 1.045 529 HB2 LYS 90 HB2 LYS 90 -1.400 10.385 3.200 530 HB3 LYS 90 HB3 LYS 90 -0.297 11.453 4.057 531 HG2 LYS 90 HG2 LYS 90 -2.597 12.231 4.303 532 HG3 LYS 90 HG3 LYS 90 -1.643 13.388 3.399 533 HD2 LYS 90 HD2 LYS 90 -2.647 12.576 1.279 534 HD3 LYS 90 HD3 LYS 90 -3.611 11.424 2.201 535 HE2 LYS 90 HE2 LYS 90 -5.010 13.314 1.644 536 HE3 LYS 90 HE3 LYS 90 -4.695 13.352 3.378 537 HZ1 LYS 90 HZ1 LYS 90 -3.039 15.051 3.019 538 HZ2 LYS 90 HZ2 LYS 90 -4.508 15.535 2.344 539 HZ3 LYS 90 HZ3 LYS 90 -3.264 14.980 1.344 540 H LYS 91 H LYS 91 -0.516 13.258 0.112 541 HA LYS 91 HA LYS 91 1.505 15.199 0.721 542 HB2 LYS 91 HB2 LYS 91 -0.996 15.487 -1.001 543 HB3 LYS 91 HB3 LYS 91 0.398 16.561 -1.020 544 HG2 LYS 91 HG2 LYS 91 1.792 14.761 -1.944 545 HG3 LYS 91 HG3 LYS 91 0.421 13.647 -1.865 546 HD2 LYS 91 HD2 LYS 91 -0.831 15.077 -3.460 547 HD3 LYS 91 HD3 LYS 91 0.541 16.185 -3.547 548 HE2 LYS 91 HE2 LYS 91 1.922 14.394 -4.540 549 HE3 LYS 91 HE3 LYS 91 0.564 13.275 -4.424 550 HZ1 LYS 91 HZ1 LYS 91 -0.680 14.629 -5.950 551 HZ2 LYS 91 HZ2 LYS 91 0.814 14.243 -6.638 552 HZ3 LYS 91 HZ3 LYS 91 0.555 15.785 -6.007 553 H LEU 92 H LEU 92 1.322 16.153 2.703 554 HA LEU 92 HA LEU 92 0.588 17.313 4.494 555 HB2 LEU 92 HB2 LEU 92 -1.277 18.590 2.452 556 HB3 LEU 92 HB3 LEU 92 -1.097 19.166 4.098 557 HG LEU 92 HG LEU 92 1.397 19.552 3.533 558 HD11 LEU 92 HD11 LEU 92 1.569 18.227 1.493 559 HD12 LEU 92 HD12 LEU 92 1.972 19.910 1.171 560 HD13 LEU 92 HD13 LEU 92 0.399 19.273 0.678 561 HD21 LEU 92 HD21 LEU 92 -0.690 21.245 2.114 562 HD22 LEU 92 HD22 LEU 92 0.955 21.750 2.519 563 HD23 LEU 92 HD23 LEU 92 -0.195 21.390 3.804 564 H GLU 93 H GLU 93 -0.211 15.411 5.565 565 HA GLU 93 HA GLU 93 -2.936 14.540 5.363 566 HB2 GLU 93 HB2 GLU 93 -2.452 13.005 7.166 567 HB3 GLU 93 HB3 GLU 93 -1.028 13.064 6.145 568 HG2 GLU 93 HG2 GLU 93 -1.307 14.574 8.758 569 HG3 GLU 93 HG3 GLU 93 -0.569 12.986 8.619 570 H HIS 94 H HIS 94 -1.192 16.793 7.342 571 HA HIS 94 HA HIS 94 -3.223 18.381 8.309 572 HB2 HIS 94 HB2 HIS 94 -4.104 16.557 9.662 573 HB3 HIS 94 HB3 HIS 94 -2.495 16.100 10.202 574 HD1 HIS 94 HD1 HIS 94 -1.864 16.906 12.456 575 HD2 HIS 94 HD2 HIS 94 -4.912 19.197 10.798 576 HE1 HIS 94 HE1 HIS 94 -2.564 18.502 14.267 577 HE2 HIS 94 HE2 HIS 94 -4.552 19.725 13.301 578 H HIS 95 H HIS 95 -0.503 16.795 9.993 579 HA HIS 95 HA HIS 95 1.592 18.461 9.295 580 HB2 HIS 95 HB2 HIS 95 0.002 19.587 11.559 581 HB3 HIS 95 HB3 HIS 95 1.725 19.458 11.891 582 HD1 HIS 95 HD1 HIS 95 -0.422 21.977 10.950 583 HD2 HIS 95 HD2 HIS 95 3.084 20.541 9.239 584 HE1 HIS 95 HE1 HIS 95 0.456 23.856 9.529 585 HE2 HIS 95 HE2 HIS 95 2.648 23.016 8.623 586 H HIS 96 H HIS 96 2.676 16.530 9.223 587 HA HIS 96 HA HIS 96 3.779 15.574 11.745 588 HB2 HIS 96 HB2 HIS 96 1.798 14.109 11.411 589 HB3 HIS 96 HB3 HIS 96 2.369 13.673 9.810 590 HD1 HIS 96 HD1 HIS 96 2.476 12.609 13.274 591 HD2 HIS 96 HD2 HIS 96 4.864 12.072 9.912 592 HE1 HIS 96 HE1 HIS 96 3.921 10.620 13.784 593 HE2 HIS 96 HE2 HIS 96 5.266 10.234 11.689 594 H HIS 97 H HIS 97 3.626 14.783 8.233 595 HA HIS 97 HA HIS 97 6.206 13.681 7.983 596 HB2 HIS 97 HB2 HIS 97 4.619 15.112 5.807 597 HB3 HIS 97 HB3 HIS 97 5.964 14.004 5.537 598 HD1 HIS 97 HD1 HIS 97 2.844 13.838 4.638 599 HD2 HIS 97 HD2 HIS 97 4.816 11.548 7.483 600 HE1 HIS 97 HE1 HIS 97 1.558 11.709 4.773 601 HE2 HIS 97 HE2 HIS 97 2.783 10.306 6.454 602 H HIS 98 H HIS 98 5.157 16.858 6.726 603 HA HIS 98 HA HIS 98 7.830 17.907 6.599 604 HB2 HIS 98 HB2 HIS 98 6.123 18.600 4.959 605 HB3 HIS 98 HB3 HIS 98 5.136 19.288 6.242 606 HD1 HIS 98 HD1 HIS 98 5.211 21.723 5.674 607 HD2 HIS 98 HD2 HIS 98 8.999 20.013 5.671 608 HE1 HIS 98 HE1 HIS 98 6.815 23.637 5.387 609 HE2 HIS 98 HE2 HIS 98 9.109 22.586 5.417 610 H HIS 99 H HIS 99 8.680 17.903 8.614 611 HA HIS 99 HA HIS 99 7.948 20.122 10.344 612 HB2 HIS 99 HB2 HIS 99 6.702 18.151 11.318 613 HB3 HIS 99 HB3 HIS 99 8.228 17.304 11.512 614 HD1 HIS 99 HD1 HIS 99 6.129 19.972 13.020 615 HD2 HIS 99 HD2 HIS 99 9.885 18.299 13.615 616 HE1 HIS 99 HE1 HIS 99 6.898 20.833 15.246 617 HE2 HIS 99 HE2 HIS 99 9.082 19.651 15.673 Start of MODEL 4 1 H1 ALA 22 H1 ALA 22 1.308 3.399 8.160 2 H2 ALA 22 H2 ALA 22 0.057 2.460 8.807 3 H3 ALA 22 H3 ALA 22 -0.288 3.936 8.070 4 HA ALA 22 HA ALA 22 0.375 3.134 5.949 5 HB1 ALA 22 HB1 ALA 22 1.069 0.781 5.666 6 HB2 ALA 22 HB2 ALA 22 0.978 0.533 7.409 7 HB3 ALA 22 HB3 ALA 22 2.172 1.644 6.737 8 H GLU 23 H GLU 23 -1.682 3.432 5.339 9 HA GLU 23 HA GLU 23 -3.936 1.962 6.461 10 HB2 GLU 23 HB2 GLU 23 -3.814 4.219 4.405 11 HB3 GLU 23 HB3 GLU 23 -5.292 3.563 5.103 12 HG2 GLU 23 HG2 GLU 23 -3.105 4.967 6.655 13 HG3 GLU 23 HG3 GLU 23 -4.606 5.718 6.111 14 H ILE 24 H ILE 24 -4.590 0.098 5.520 15 HA ILE 24 HA ILE 24 -3.738 -0.742 2.910 16 HB ILE 24 HB ILE 24 -5.832 -1.946 4.796 17 HG12 ILE 24 HG12 ILE 24 -3.544 -2.079 5.688 18 HG13 ILE 24 HG13 ILE 24 -4.079 -3.685 5.207 19 HG21 ILE 24 HG21 ILE 24 -5.736 -3.986 3.369 20 HG22 ILE 24 HG22 ILE 24 -4.741 -3.117 2.199 21 HG23 ILE 24 HG23 ILE 24 -6.400 -2.599 2.506 22 HD11 ILE 24 HD11 ILE 24 -2.186 -1.875 3.723 23 HD12 ILE 24 HD12 ILE 24 -2.781 -3.423 3.111 24 HD13 ILE 24 HD13 ILE 24 -1.797 -3.373 4.572 25 H MET 25 H MET 25 -4.495 0.177 1.145 26 HA MET 25 HA MET 25 -7.417 0.431 0.730 27 HB2 MET 25 HB2 MET 25 -5.264 2.375 -0.251 28 HB3 MET 25 HB3 MET 25 -6.957 2.424 -0.727 29 HG2 MET 25 HG2 MET 25 -7.601 2.915 1.600 30 HG3 MET 25 HG3 MET 25 -5.905 2.842 2.081 31 HE1 MET 25 HE1 MET 25 -7.312 4.406 -1.276 32 HE2 MET 25 HE2 MET 25 -7.592 6.068 -0.771 33 HE3 MET 25 HE3 MET 25 -8.571 4.769 -0.095 34 H LYS 26 H LYS 26 -7.994 -0.910 -0.908 35 HA LYS 26 HA LYS 26 -6.104 -2.132 -2.682 36 HB2 LYS 26 HB2 LYS 26 -9.145 -2.023 -2.820 37 HB3 LYS 26 HB3 LYS 26 -8.127 -3.043 -3.841 38 HG2 LYS 26 HG2 LYS 26 -7.317 -4.244 -1.842 39 HG3 LYS 26 HG3 LYS 26 -8.327 -3.221 -0.815 40 HD2 LYS 26 HD2 LYS 26 -10.352 -4.116 -1.883 41 HD3 LYS 26 HD3 LYS 26 -9.366 -5.095 -2.976 42 HE2 LYS 26 HE2 LYS 26 -8.513 -6.393 -1.070 43 HE3 LYS 26 HE3 LYS 26 -9.431 -5.380 0.051 44 HZ1 LYS 26 HZ1 LYS 26 -10.565 -7.150 -2.042 45 HZ2 LYS 26 HZ2 LYS 26 -11.469 -6.138 -1.034 46 HZ3 LYS 26 HZ3 LYS 26 -10.591 -7.421 -0.376 47 H LYS 27 H LYS 27 -6.271 -1.955 -5.088 48 HA LYS 27 HA LYS 27 -5.522 0.619 -5.894 49 HB2 LYS 27 HB2 LYS 27 -4.801 -1.520 -6.964 50 HB3 LYS 27 HB3 LYS 27 -6.419 -1.714 -7.629 51 HG2 LYS 27 HG2 LYS 27 -4.880 -0.888 -9.331 52 HG3 LYS 27 HG3 LYS 27 -6.133 0.306 -8.992 53 HD2 LYS 27 HD2 LYS 27 -4.595 1.672 -7.709 54 HD3 LYS 27 HD3 LYS 27 -3.349 0.424 -7.758 55 HE2 LYS 27 HE2 LYS 27 -2.887 2.295 -9.319 56 HE3 LYS 27 HE3 LYS 27 -3.066 0.758 -10.167 57 HZ1 LYS 27 HZ1 LYS 27 -4.217 2.617 -11.254 58 HZ2 LYS 27 HZ2 LYS 27 -5.212 2.797 -9.897 59 HZ3 LYS 27 HZ3 LYS 27 -5.274 1.380 -10.815 60 H THR 28 H THR 28 -8.554 -1.145 -6.382 61 HA THR 28 HA THR 28 -10.021 0.598 -7.971 62 HB THR 28 HB THR 28 -11.057 -1.173 -5.710 63 HG1 THR 28 HG1 THR 28 -10.199 -1.702 -8.348 64 HG21 THR 28 HG21 THR 28 -12.495 -0.190 -8.209 65 HG22 THR 28 HG22 THR 28 -12.817 0.344 -6.557 66 HG23 THR 28 HG23 THR 28 -13.143 -1.326 -7.026 67 H ASP 29 H ASP 29 -9.755 0.486 -4.429 68 HA ASP 29 HA ASP 29 -11.491 2.705 -3.856 69 HB2 ASP 29 HB2 ASP 29 -9.358 1.351 -2.135 70 HB3 ASP 29 HB3 ASP 29 -10.567 2.487 -1.539 71 H PHE 30 H PHE 30 -8.087 2.286 -4.460 72 HA PHE 30 HA PHE 30 -7.147 4.680 -3.272 73 HB2 PHE 30 HB2 PHE 30 -5.624 2.800 -3.621 74 HB3 PHE 30 HB3 PHE 30 -5.885 2.859 -5.366 75 HD1 PHE 30 HD1 PHE 30 -4.825 5.150 -2.580 76 HD2 PHE 30 HD2 PHE 30 -4.213 3.938 -6.638 77 HE1 PHE 30 HE1 PHE 30 -3.001 6.761 -2.792 78 HE2 PHE 30 HE2 PHE 30 -2.377 5.563 -6.836 79 HZ PHE 30 HZ PHE 30 -1.780 6.974 -4.910 80 H ASP 31 H ASP 31 -8.085 3.788 -6.592 81 HA ASP 31 HA ASP 31 -7.183 5.921 -8.090 82 HB2 ASP 31 HB2 ASP 31 -9.855 4.501 -8.421 83 HB3 ASP 31 HB3 ASP 31 -9.119 5.527 -9.647 84 H LYS 32 H LYS 32 -10.064 5.840 -6.080 85 HA LYS 32 HA LYS 32 -11.465 8.101 -6.895 86 HB2 LYS 32 HB2 LYS 32 -11.245 7.190 -3.997 87 HB3 LYS 32 HB3 LYS 32 -12.604 8.010 -4.758 88 HG2 LYS 32 HG2 LYS 32 -11.701 5.158 -5.288 89 HG3 LYS 32 HG3 LYS 32 -13.103 5.659 -4.337 90 HD2 LYS 32 HD2 LYS 32 -14.160 6.610 -6.338 91 HD3 LYS 32 HD3 LYS 32 -12.740 6.205 -7.309 92 HE2 LYS 32 HE2 LYS 32 -13.135 3.793 -6.846 93 HE3 LYS 32 HE3 LYS 32 -14.576 4.222 -5.920 94 HZ1 LYS 32 HZ1 LYS 32 -15.105 3.527 -8.168 95 HZ2 LYS 32 HZ2 LYS 32 -14.167 4.781 -8.808 96 HZ3 LYS 32 HZ3 LYS 32 -15.555 5.135 -7.911 97 H VAL 33 H VAL 33 -8.663 7.856 -4.775 98 HA VAL 33 HA VAL 33 -8.452 10.808 -4.540 99 HB VAL 33 HB VAL 33 -7.429 10.418 -2.233 100 HG11 VAL 33 HG11 VAL 33 -10.351 9.621 -2.535 101 HG12 VAL 33 HG12 VAL 33 -9.721 11.266 -2.418 102 HG13 VAL 33 HG13 VAL 33 -9.583 10.175 -1.041 103 HG21 VAL 33 HG21 VAL 33 -7.957 8.283 -1.076 104 HG22 VAL 33 HG22 VAL 33 -6.884 8.035 -2.453 105 HG23 VAL 33 HG23 VAL 33 -8.598 7.624 -2.584 106 H ALA 34 H ALA 34 -7.223 8.758 -6.379 107 HA ALA 34 HA ALA 34 -4.646 7.963 -5.647 108 HB1 ALA 34 HB1 ALA 34 -5.639 8.584 -8.449 109 HB2 ALA 34 HB2 ALA 34 -5.847 7.056 -7.595 110 HB3 ALA 34 HB3 ALA 34 -4.233 7.597 -8.045 111 H SER 35 H SER 35 -5.677 10.919 -7.291 112 HA SER 35 HA SER 35 -3.169 12.034 -7.900 113 HB2 SER 35 HB2 SER 35 -5.800 13.486 -7.383 114 HB3 SER 35 HB3 SER 35 -4.422 14.113 -8.298 115 HG SER 35 HG SER 35 -4.751 12.202 -9.693 116 H GLU 36 H GLU 36 -4.795 11.790 -4.860 117 HA GLU 36 HA GLU 36 -3.419 14.043 -3.611 118 HB2 GLU 36 HB2 GLU 36 -5.391 11.997 -2.521 119 HB3 GLU 36 HB3 GLU 36 -4.722 13.322 -1.574 120 HG2 GLU 36 HG2 GLU 36 -6.494 13.569 -4.027 121 HG3 GLU 36 HG3 GLU 36 -6.969 13.865 -2.354 122 H TYR 37 H TYR 37 -2.416 10.974 -4.389 123 HA TYR 37 HA TYR 37 -0.506 10.936 -2.117 124 HB2 TYR 37 HB2 TYR 37 -1.931 8.494 -3.258 125 HB3 TYR 37 HB3 TYR 37 -0.619 8.431 -2.085 126 HD1 TYR 37 HD1 TYR 37 -0.987 9.333 0.230 127 HD2 TYR 37 HD2 TYR 37 -4.211 9.013 -2.545 128 HE1 TYR 37 HE1 TYR 37 -2.591 9.646 2.064 129 HE2 TYR 37 HE2 TYR 37 -5.816 9.287 -0.713 130 HH TYR 37 HH TYR 37 -5.896 8.963 1.747 131 H THR 38 H THR 38 1.583 10.190 -2.592 132 HA THR 38 HA THR 38 2.294 10.236 -5.465 133 HB THR 38 HB THR 38 3.000 12.300 -4.328 134 HG1 THR 38 HG1 THR 38 5.405 10.860 -4.704 135 HG21 THR 38 HG21 THR 38 4.719 12.335 -2.585 136 HG22 THR 38 HG22 THR 38 4.698 10.573 -2.508 137 HG23 THR 38 HG23 THR 38 3.271 11.491 -2.021 138 H LYS 39 H LYS 39 3.515 8.646 -6.262 139 HA LYS 39 HA LYS 39 3.806 6.197 -4.788 140 HB2 LYS 39 HB2 LYS 39 3.179 6.465 -7.267 141 HB3 LYS 39 HB3 LYS 39 4.874 6.812 -7.580 142 HG2 LYS 39 HG2 LYS 39 5.401 4.515 -6.575 143 HG3 LYS 39 HG3 LYS 39 3.658 4.222 -6.572 144 HD2 LYS 39 HD2 LYS 39 3.858 4.917 -9.143 145 HD3 LYS 39 HD3 LYS 39 5.549 4.471 -8.915 146 HE2 LYS 39 HE2 LYS 39 4.407 2.549 -9.778 147 HE3 LYS 39 HE3 LYS 39 4.729 2.212 -8.075 148 HZ1 LYS 39 HZ1 LYS 39 2.489 1.580 -8.650 149 HZ2 LYS 39 HZ2 LYS 39 2.146 3.133 -9.229 150 HZ3 LYS 39 HZ3 LYS 39 2.440 2.893 -7.585 151 H ILE 40 H ILE 40 5.495 5.932 -3.378 152 HA ILE 40 HA ILE 40 8.086 7.223 -4.025 153 HB ILE 40 HB ILE 40 8.725 6.846 -1.667 154 HG12 ILE 40 HG12 ILE 40 5.860 5.870 -1.221 155 HG13 ILE 40 HG13 ILE 40 7.254 4.803 -1.293 156 HG21 ILE 40 HG21 ILE 40 7.227 8.542 -0.682 157 HG22 ILE 40 HG22 ILE 40 6.084 8.316 -2.008 158 HG23 ILE 40 HG23 ILE 40 7.693 8.969 -2.330 159 HD11 ILE 40 HD11 ILE 40 6.796 6.955 0.767 160 HD12 ILE 40 HD12 ILE 40 8.175 5.854 0.708 161 HD13 ILE 40 HD13 ILE 40 6.552 5.224 0.989 162 H GLY 41 H GLY 41 6.592 4.217 -4.171 163 HA2 GLY 41 HA2 GLY 41 8.621 2.796 -5.323 164 HA3 GLY 41 HA3 GLY 41 8.825 2.509 -3.594 165 H THR 42 H THR 42 8.440 0.309 -4.685 166 HA THR 42 HA THR 42 5.635 -0.433 -4.104 167 HB THR 42 HB THR 42 7.279 -1.607 -6.405 168 HG1 THR 42 HG1 THR 42 4.986 0.080 -6.583 169 HG21 THR 42 HG21 THR 42 5.649 -3.216 -5.459 170 HG22 THR 42 HG22 THR 42 5.150 -2.693 -7.067 171 HG23 THR 42 HG23 THR 42 4.352 -2.028 -5.639 172 H ILE 43 H ILE 43 5.519 -2.047 -2.683 173 HA ILE 43 HA ILE 43 7.845 -3.803 -2.165 174 HB ILE 43 HB ILE 43 6.867 -4.254 0.075 175 HG12 ILE 43 HG12 ILE 43 4.777 -2.137 -0.642 176 HG13 ILE 43 HG13 ILE 43 4.470 -3.861 -0.489 177 HG21 ILE 43 HG21 ILE 43 8.540 -2.465 -0.129 178 HG22 ILE 43 HG22 ILE 43 7.376 -2.087 1.140 179 HG23 ILE 43 HG23 ILE 43 7.265 -1.276 -0.425 180 HD11 ILE 43 HD11 ILE 43 5.287 -1.998 1.737 181 HD12 ILE 43 HD12 ILE 43 5.021 -3.736 1.901 182 HD13 ILE 43 HD13 ILE 43 3.685 -2.677 1.454 183 H SER 44 H SER 44 7.112 -6.001 -1.325 184 HA SER 44 HA SER 44 4.685 -7.039 -2.641 185 HB2 SER 44 HB2 SER 44 7.468 -8.268 -2.893 186 HB3 SER 44 HB3 SER 44 5.979 -8.957 -3.535 187 HG SER 44 HG SER 44 7.131 -6.467 -4.283 188 H THR 45 H THR 45 4.335 -9.385 -1.872 189 HA THR 45 HA THR 45 4.403 -9.368 1.031 190 HB THR 45 HB THR 45 3.008 -11.440 0.804 191 HG1 THR 45 HG1 THR 45 2.565 -12.262 -1.165 192 HG21 THR 45 HG21 THR 45 1.890 -9.234 0.856 193 HG22 THR 45 HG22 THR 45 1.024 -10.374 -0.174 194 HG23 THR 45 HG23 THR 45 2.031 -9.120 -0.902 195 H THR 46 H THR 46 5.273 -11.081 2.326 196 HA THR 46 HA THR 46 7.788 -12.139 1.421 197 HB THR 46 HB THR 46 6.304 -12.682 4.033 198 HG1 THR 46 HG1 THR 46 6.989 -10.767 4.651 199 HG21 THR 46 HG21 THR 46 8.553 -13.053 4.997 200 HG22 THR 46 HG22 THR 46 9.292 -12.822 3.409 201 HG23 THR 46 HG23 THR 46 8.241 -14.209 3.704 202 H GLY 47 H GLY 47 4.760 -13.251 0.721 203 HA2 GLY 47 HA2 GLY 47 5.641 -15.524 -0.597 204 HA3 GLY 47 HA3 GLY 47 5.011 -16.074 0.956 205 H GLU 48 H GLU 48 3.679 -17.173 -0.896 206 HA GLU 48 HA GLU 48 1.356 -15.676 -1.777 207 HB2 GLU 48 HB2 GLU 48 1.855 -18.689 -1.760 208 HB3 GLU 48 HB3 GLU 48 0.582 -17.848 -2.640 209 HG2 GLU 48 HG2 GLU 48 2.362 -16.673 -3.975 210 HG3 GLU 48 HG3 GLU 48 3.569 -17.657 -3.151 211 H MET 49 H MET 49 0.765 -14.834 0.259 212 HA MET 49 HA MET 49 -0.137 -16.709 2.369 213 HB2 MET 49 HB2 MET 49 0.662 -13.768 2.640 214 HB3 MET 49 HB3 MET 49 0.306 -14.886 3.953 215 HG2 MET 49 HG2 MET 49 2.296 -16.185 3.461 216 HG3 MET 49 HG3 MET 49 2.616 -15.222 2.025 217 HE1 MET 49 HE1 MET 49 3.109 -12.521 2.222 218 HE2 MET 49 HE2 MET 49 3.511 -11.730 3.744 219 HE3 MET 49 HE3 MET 49 1.851 -12.233 3.426 220 H SER 50 H SER 50 -2.068 -16.226 3.495 221 HA SER 50 HA SER 50 -4.323 -15.632 1.974 222 HB2 SER 50 HB2 SER 50 -4.075 -15.477 5.016 223 HB3 SER 50 HB3 SER 50 -5.563 -15.735 4.101 224 HG SER 50 HG SER 50 -4.790 -17.706 4.846 225 HA PRO 51 HA PRO 51 -4.482 -11.326 1.258 226 HB2 PRO 51 HB2 PRO 51 -7.283 -11.242 2.406 227 HB3 PRO 51 HB3 PRO 51 -6.680 -10.632 0.847 228 HG2 PRO 51 HG2 PRO 51 -8.051 -12.892 0.948 229 HG3 PRO 51 HG3 PRO 51 -6.635 -12.748 -0.122 230 HD2 PRO 51 HD2 PRO 51 -6.884 -14.180 2.507 231 HD3 PRO 51 HD3 PRO 51 -5.946 -14.626 1.063 232 H LEU 52 H LEU 52 -6.102 -11.932 4.417 233 HA LEU 52 HA LEU 52 -5.543 -9.397 5.548 234 HB2 LEU 52 HB2 LEU 52 -7.318 -10.888 6.397 235 HB3 LEU 52 HB3 LEU 52 -6.103 -12.036 6.934 236 HG LEU 52 HG LEU 52 -5.247 -10.359 8.570 237 HD11 LEU 52 HD11 LEU 52 -7.586 -8.628 7.708 238 HD12 LEU 52 HD12 LEU 52 -5.872 -8.282 7.458 239 HD13 LEU 52 HD13 LEU 52 -6.527 -8.331 9.091 240 HD21 LEU 52 HD21 LEU 52 -7.116 -10.509 10.160 241 HD22 LEU 52 HD22 LEU 52 -6.863 -12.027 9.304 242 HD23 LEU 52 HD23 LEU 52 -8.205 -10.971 8.847 243 H ASP 53 H ASP 53 -3.856 -12.545 5.904 244 HA ASP 53 HA ASP 53 -1.819 -11.711 7.683 245 HB2 ASP 53 HB2 ASP 53 -2.351 -14.104 7.117 246 HB3 ASP 53 HB3 ASP 53 -1.642 -13.871 5.529 247 H ALA 54 H ALA 54 -2.088 -11.564 4.195 248 HA ALA 54 HA ALA 54 0.547 -10.687 3.548 249 HB1 ALA 54 HB1 ALA 54 -0.907 -11.814 1.898 250 HB2 ALA 54 HB2 ALA 54 -0.421 -10.223 1.306 251 HB3 ALA 54 HB3 ALA 54 -2.045 -10.469 1.956 252 H ARG 55 H ARG 55 -2.542 -9.065 4.229 253 HA ARG 55 HA ARG 55 -1.843 -6.409 3.588 254 HB2 ARG 55 HB2 ARG 55 -3.872 -7.516 5.571 255 HB3 ARG 55 HB3 ARG 55 -3.698 -5.789 5.266 256 HG2 ARG 55 HG2 ARG 55 -4.489 -5.971 3.046 257 HG3 ARG 55 HG3 ARG 55 -4.246 -7.719 3.007 258 HD2 ARG 55 HD2 ARG 55 -6.616 -7.290 3.185 259 HD3 ARG 55 HD3 ARG 55 -6.067 -7.959 4.712 260 HE ARG 55 HE ARG 55 -6.000 -5.561 5.510 261 HH11 ARG 55 HH11 ARG 55 -8.276 -6.578 3.034 262 HH12 ARG 55 HH12 ARG 55 -9.430 -5.335 3.425 263 HH21 ARG 55 HH21 ARG 55 -7.510 -3.939 5.991 264 HH22 ARG 55 HH22 ARG 55 -8.995 -3.858 5.090 265 H GLU 56 H GLU 56 -1.673 -8.200 6.676 266 HA GLU 56 HA GLU 56 -0.688 -6.162 8.361 267 HB2 GLU 56 HB2 GLU 56 -0.063 -9.142 8.625 268 HB3 GLU 56 HB3 GLU 56 -0.042 -7.943 9.914 269 HG2 GLU 56 HG2 GLU 56 -2.473 -8.974 8.437 270 HG3 GLU 56 HG3 GLU 56 -2.011 -9.352 10.091 271 H ASP 57 H ASP 57 0.945 -8.505 6.322 272 HA ASP 57 HA ASP 57 3.650 -8.027 6.987 273 HB2 ASP 57 HB2 ASP 57 2.882 -10.020 5.730 274 HB3 ASP 57 HB3 ASP 57 2.373 -9.004 4.390 275 H LEU 58 H LEU 58 1.590 -6.726 4.426 276 HA LEU 58 HA LEU 58 3.499 -4.935 3.289 277 HB2 LEU 58 HB2 LEU 58 0.470 -5.072 3.050 278 HB3 LEU 58 HB3 LEU 58 1.497 -4.061 2.042 279 HG LEU 58 HG LEU 58 1.716 -7.094 2.151 280 HD11 LEU 58 HD11 LEU 58 -0.474 -6.541 1.277 281 HD12 LEU 58 HD12 LEU 58 0.559 -7.170 -0.004 282 HD13 LEU 58 HD13 LEU 58 0.239 -5.437 0.098 283 HD21 LEU 58 HD21 LEU 58 2.885 -5.133 0.156 284 HD22 LEU 58 HD22 LEU 58 3.042 -6.892 0.107 285 HD23 LEU 58 HD23 LEU 58 3.778 -5.981 1.422 286 H ILE 59 H ILE 59 1.125 -4.609 5.900 287 HA ILE 59 HA ILE 59 1.217 -1.761 6.185 288 HB ILE 59 HB ILE 59 0.619 -3.888 8.318 289 HG12 ILE 59 HG12 ILE 59 -1.315 -2.048 6.828 290 HG13 ILE 59 HG13 ILE 59 -1.050 -3.740 6.447 291 HG21 ILE 59 HG21 ILE 59 -0.301 -2.060 9.720 292 HG22 ILE 59 HG22 ILE 59 0.215 -0.866 8.525 293 HG23 ILE 59 HG23 ILE 59 1.416 -1.814 9.400 294 HD11 ILE 59 HD11 ILE 59 -2.204 -2.667 9.016 295 HD12 ILE 59 HD12 ILE 59 -1.921 -4.373 8.655 296 HD13 ILE 59 HD13 ILE 59 -3.083 -3.450 7.705 297 H LYS 60 H LYS 60 2.980 -4.455 7.727 298 HA LYS 60 HA LYS 60 4.599 -2.971 9.472 299 HB2 LYS 60 HB2 LYS 60 4.329 -5.411 9.651 300 HB3 LYS 60 HB3 LYS 60 5.150 -5.649 8.113 301 HG2 LYS 60 HG2 LYS 60 7.258 -4.889 9.054 302 HG3 LYS 60 HG3 LYS 60 6.471 -4.440 10.568 303 HD2 LYS 60 HD2 LYS 60 5.955 -6.813 11.019 304 HD3 LYS 60 HD3 LYS 60 6.684 -7.279 9.480 305 HE2 LYS 60 HE2 LYS 60 8.219 -7.701 11.362 306 HE3 LYS 60 HE3 LYS 60 8.887 -6.486 10.272 307 HZ1 LYS 60 HZ1 LYS 60 7.481 -5.898 12.826 308 HZ2 LYS 60 HZ2 LYS 60 8.209 -4.769 11.802 309 HZ3 LYS 60 HZ3 LYS 60 9.160 -5.901 12.617 310 H LYS 61 H LYS 61 5.273 -4.124 6.156 311 HA LYS 61 HA LYS 61 7.881 -3.030 5.923 312 HB2 LYS 61 HB2 LYS 61 5.836 -3.830 3.821 313 HB3 LYS 61 HB3 LYS 61 7.488 -3.356 3.426 314 HG2 LYS 61 HG2 LYS 61 8.388 -5.245 4.660 315 HG3 LYS 61 HG3 LYS 61 6.782 -5.670 5.259 316 HD2 LYS 61 HD2 LYS 61 6.050 -6.255 2.990 317 HD3 LYS 61 HD3 LYS 61 7.604 -5.733 2.325 318 HE2 LYS 61 HE2 LYS 61 8.763 -7.522 3.524 319 HE3 LYS 61 HE3 LYS 61 7.269 -7.992 4.337 320 HZ1 LYS 61 HZ1 LYS 61 7.758 -8.156 1.412 321 HZ2 LYS 61 HZ2 LYS 61 6.342 -8.624 2.214 322 HZ3 LYS 61 HZ3 LYS 61 7.787 -9.454 2.502 323 H ALA 62 H ALA 62 4.735 -1.759 4.735 324 HA ALA 62 HA ALA 62 5.782 0.604 3.561 325 HB1 ALA 62 HB1 ALA 62 3.578 -0.311 2.973 326 HB2 ALA 62 HB2 ALA 62 3.459 1.383 3.455 327 HB3 ALA 62 HB3 ALA 62 2.965 0.104 4.573 328 H ASP 63 H ASP 63 4.588 -0.064 6.822 329 HA ASP 63 HA ASP 63 4.517 2.647 7.748 330 HB2 ASP 63 HB2 ASP 63 3.190 0.923 8.893 331 HB3 ASP 63 HB3 ASP 63 4.643 0.025 9.303 332 H GLU 64 H GLU 64 6.892 -0.001 7.945 333 HA GLU 64 HA GLU 64 8.932 1.318 9.361 334 HB2 GLU 64 HB2 GLU 64 8.760 -1.168 8.594 335 HB3 GLU 64 HB3 GLU 64 9.458 -0.633 7.078 336 HG2 GLU 64 HG2 GLU 64 10.819 -0.294 9.771 337 HG3 GLU 64 HG3 GLU 64 11.045 -1.695 8.734 338 H LYS 65 H LYS 65 8.165 1.303 5.868 339 HA LYS 65 HA LYS 65 10.284 3.173 5.181 340 HB2 LYS 65 HB2 LYS 65 7.908 2.328 3.471 341 HB3 LYS 65 HB3 LYS 65 9.399 3.075 2.908 342 HG2 LYS 65 HG2 LYS 65 9.025 0.260 3.972 343 HG3 LYS 65 HG3 LYS 65 9.477 0.743 2.337 344 HD2 LYS 65 HD2 LYS 65 11.644 1.608 3.216 345 HD3 LYS 65 HD3 LYS 65 11.185 1.089 4.842 346 HE2 LYS 65 HE2 LYS 65 11.051 -1.275 3.986 347 HE3 LYS 65 HE3 LYS 65 11.661 -0.704 2.431 348 HZ1 LYS 65 HZ1 LYS 65 13.687 0.016 3.531 349 HZ2 LYS 65 HZ2 LYS 65 13.414 -1.626 3.817 350 HZ3 LYS 65 HZ3 LYS 65 13.091 -0.494 5.028 351 H GLY 66 H GLY 66 7.357 3.614 6.760 352 HA2 GLY 66 HA2 GLY 66 6.419 5.563 7.548 353 HA3 GLY 66 HA3 GLY 66 7.547 6.481 6.564 354 H ALA 67 H ALA 67 5.889 4.278 4.624 355 HA ALA 67 HA ALA 67 4.534 6.243 3.120 356 HB1 ALA 67 HB1 ALA 67 4.139 3.241 3.096 357 HB2 ALA 67 HB2 ALA 67 5.319 4.140 2.140 358 HB3 ALA 67 HB3 ALA 67 3.593 4.364 1.845 359 H ASP 68 H ASP 68 2.444 6.937 3.069 360 HA ASP 68 HA ASP 68 0.815 6.603 5.430 361 HB2 ASP 68 HB2 ASP 68 0.400 8.181 2.859 362 HB3 ASP 68 HB3 ASP 68 -0.762 8.176 4.181 363 H VAL 69 H VAL 69 0.598 5.600 2.003 364 HA VAL 69 HA VAL 69 -1.747 3.905 2.693 365 HB VAL 69 HB VAL 69 -1.399 5.656 0.213 366 HG11 VAL 69 HG11 VAL 69 -3.491 3.458 0.581 367 HG12 VAL 69 HG12 VAL 69 -2.184 3.468 -0.605 368 HG13 VAL 69 HG13 VAL 69 -3.477 4.659 -0.717 369 HG21 VAL 69 HG21 VAL 69 -3.592 6.584 0.879 370 HG22 VAL 69 HG22 VAL 69 -2.408 6.760 2.174 371 HG23 VAL 69 HG23 VAL 69 -3.642 5.502 2.276 372 H VAL 70 H VAL 70 -1.733 1.912 2.051 373 HA VAL 70 HA VAL 70 0.453 0.774 0.424 374 HB VAL 70 HB VAL 70 -1.469 -0.786 2.225 375 HG11 VAL 70 HG11 VAL 70 0.324 -2.475 2.255 376 HG12 VAL 70 HG12 VAL 70 1.323 -1.450 1.223 377 HG13 VAL 70 HG13 VAL 70 -0.195 -2.110 0.608 378 HG21 VAL 70 HG21 VAL 70 1.161 0.432 3.133 379 HG22 VAL 70 HG22 VAL 70 0.197 -0.727 4.051 380 HG23 VAL 70 HG23 VAL 70 -0.452 0.875 3.696 381 H VAL 71 H VAL 71 -0.245 0.520 -1.638 382 HA VAL 71 HA VAL 71 -3.113 0.372 -2.247 383 HB VAL 71 HB VAL 71 -0.738 0.851 -4.111 384 HG11 VAL 71 HG11 VAL 71 -2.436 1.600 -5.766 385 HG12 VAL 71 HG12 VAL 71 -3.726 1.118 -4.660 386 HG13 VAL 71 HG13 VAL 71 -2.645 -0.101 -5.339 387 HG21 VAL 71 HG21 VAL 71 -1.017 2.678 -2.482 388 HG22 VAL 71 HG22 VAL 71 -2.720 2.838 -2.921 389 HG23 VAL 71 HG23 VAL 71 -1.464 3.218 -4.102 390 H LEU 72 H LEU 72 -3.832 -1.687 -2.123 391 HA LEU 72 HA LEU 72 -2.274 -3.992 -2.834 392 HB2 LEU 72 HB2 LEU 72 -5.289 -3.877 -2.419 393 HB3 LEU 72 HB3 LEU 72 -4.296 -5.326 -2.457 394 HG LEU 72 HG LEU 72 -4.405 -3.204 -0.290 395 HD11 LEU 72 HD11 LEU 72 -6.167 -4.887 -0.200 396 HD12 LEU 72 HD12 LEU 72 -5.053 -5.077 1.150 397 HD13 LEU 72 HD13 LEU 72 -4.967 -6.184 -0.222 398 HD21 LEU 72 HD21 LEU 72 -2.650 -4.438 0.923 399 HD22 LEU 72 HD22 LEU 72 -2.040 -3.748 -0.577 400 HD23 LEU 72 HD23 LEU 72 -2.396 -5.476 -0.483 401 H THR 73 H THR 73 -1.632 -3.704 -4.940 402 HA THR 73 HA THR 73 -3.589 -3.838 -7.114 403 HB THR 73 HB THR 73 -1.490 -3.973 -8.557 404 HG1 THR 73 HG1 THR 73 0.201 -3.091 -6.593 405 HG21 THR 73 HG21 THR 73 -2.567 -1.791 -8.128 406 HG22 THR 73 HG22 THR 73 -0.812 -1.612 -8.181 407 HG23 THR 73 HG23 THR 73 -1.650 -1.616 -6.628 408 H SER 74 H SER 74 -1.809 -5.925 -5.064 409 HA SER 74 HA SER 74 -3.007 -8.311 -6.222 410 HB2 SER 74 HB2 SER 74 -0.819 -8.141 -7.405 411 HB3 SER 74 HB3 SER 74 0.014 -8.029 -5.858 412 HG SER 74 HG SER 74 -0.769 -10.204 -7.213 413 H GLY 75 H GLY 75 -2.306 -10.244 -4.675 414 HA2 GLY 75 HA2 GLY 75 -2.001 -11.041 -2.471 415 HA3 GLY 75 HA3 GLY 75 -2.098 -9.402 -1.848 416 H GLN 76 H GLN 76 -4.446 -8.682 -3.244 417 HA GLN 76 HA GLN 76 -6.443 -9.308 -1.363 418 HB2 GLN 76 HB2 GLN 76 -7.923 -7.964 -2.856 419 HB3 GLN 76 HB3 GLN 76 -6.379 -7.179 -2.561 420 HG2 GLN 76 HG2 GLN 76 -5.570 -7.941 -4.779 421 HG3 GLN 76 HG3 GLN 76 -7.130 -8.705 -5.072 422 HE21 GLN 76 HE21 GLN 76 -6.648 -5.523 -3.572 423 HE22 GLN 76 HE22 GLN 76 -7.376 -4.621 -4.849 424 H THR 77 H THR 77 -5.706 -10.729 -4.504 425 HA THR 77 HA THR 77 -8.287 -11.866 -5.010 426 HB THR 77 HB THR 77 -5.651 -12.679 -6.311 427 HG1 THR 77 HG1 THR 77 -7.357 -10.514 -7.077 428 HG21 THR 77 HG21 THR 77 -7.056 -13.079 -8.305 429 HG22 THR 77 HG22 THR 77 -8.498 -12.606 -7.405 430 HG23 THR 77 HG23 THR 77 -7.609 -14.062 -6.948 431 H GLU 78 H GLU 78 -5.603 -12.888 -3.136 432 HA GLU 78 HA GLU 78 -5.108 -14.594 -1.799 433 HB2 GLU 78 HB2 GLU 78 -7.445 -14.557 -1.047 434 HB3 GLU 78 HB3 GLU 78 -7.921 -15.626 -2.361 435 HG2 GLU 78 HG2 GLU 78 -6.654 -17.464 -1.411 436 HG3 GLU 78 HG3 GLU 78 -5.931 -16.405 -0.201 437 H ASN 79 H ASN 79 -7.069 -16.209 -4.325 438 HA ASN 79 HA ASN 79 -5.779 -18.596 -4.477 439 HB2 ASN 79 HB2 ASN 79 -7.933 -18.094 -5.592 440 HB3 ASN 79 HB3 ASN 79 -7.098 -17.102 -6.775 441 HD21 ASN 79 HD21 ASN 79 -7.706 -20.362 -5.695 442 HD22 ASN 79 HD22 ASN 79 -7.149 -21.167 -7.121 443 H LYS 80 H LYS 80 -3.590 -18.536 -4.381 444 HA LYS 80 HA LYS 80 -1.476 -18.735 -5.119 445 HB2 LYS 80 HB2 LYS 80 -2.758 -18.703 -7.883 446 HB3 LYS 80 HB3 LYS 80 -1.130 -19.270 -7.517 447 HG2 LYS 80 HG2 LYS 80 -2.045 -21.093 -6.146 448 HG3 LYS 80 HG3 LYS 80 -3.688 -20.515 -6.447 449 HD2 LYS 80 HD2 LYS 80 -1.743 -21.587 -8.526 450 HD3 LYS 80 HD3 LYS 80 -3.161 -22.428 -7.892 451 HE2 LYS 80 HE2 LYS 80 -4.607 -20.641 -8.865 452 HE3 LYS 80 HE3 LYS 80 -3.168 -19.878 -9.543 453 HZ1 LYS 80 HZ1 LYS 80 -4.246 -21.203 -11.196 454 HZ2 LYS 80 HZ2 LYS 80 -4.210 -22.571 -10.206 455 HZ3 LYS 80 HZ3 LYS 80 -2.766 -21.925 -10.802 456 H ILE 81 H ILE 81 -2.311 -16.115 -4.509 457 HA ILE 81 HA ILE 81 -1.336 -14.272 -6.473 458 HB ILE 81 HB ILE 81 -1.375 -12.552 -4.599 459 HG12 ILE 81 HG12 ILE 81 -2.962 -13.422 -2.593 460 HG13 ILE 81 HG13 ILE 81 -2.204 -14.963 -2.954 461 HG21 ILE 81 HG21 ILE 81 -3.832 -12.402 -4.545 462 HG22 ILE 81 HG22 ILE 81 -3.946 -14.058 -5.147 463 HG23 ILE 81 HG23 ILE 81 -3.225 -12.802 -6.157 464 HD11 ILE 81 HD11 ILE 81 -1.162 -13.800 -1.086 465 HD12 ILE 81 HD12 ILE 81 -0.751 -12.444 -2.133 466 HD13 ILE 81 HD13 ILE 81 -0.023 -14.028 -2.409 467 H HIS 82 H HIS 82 0.709 -13.635 -6.877 468 HA HIS 82 HA HIS 82 2.939 -14.503 -5.296 469 HB2 HIS 82 HB2 HIS 82 4.319 -13.013 -6.736 470 HB3 HIS 82 HB3 HIS 82 3.269 -14.047 -7.691 471 HD1 HIS 82 HD1 HIS 82 1.583 -12.900 -9.217 472 HD2 HIS 82 HD2 HIS 82 3.649 -10.244 -6.781 473 HE1 HIS 82 HE1 HIS 82 1.069 -10.615 -10.125 474 HE2 HIS 82 HE2 HIS 82 2.488 -9.047 -8.757 475 H GLY 83 H GLY 83 0.909 -11.615 -5.451 476 HA2 GLY 83 HA2 GLY 83 0.315 -10.224 -3.692 477 HA3 GLY 83 HA3 GLY 83 1.601 -10.910 -2.719 478 H THR 84 H THR 84 0.611 -8.118 -4.056 479 HA THR 84 HA THR 84 3.230 -6.845 -3.949 480 HB THR 84 HB THR 84 1.538 -6.526 -6.492 481 HG1 THR 84 HG1 THR 84 3.851 -8.099 -5.974 482 HG21 THR 84 HG21 THR 84 2.943 -4.559 -5.919 483 HG22 THR 84 HG22 THR 84 3.520 -5.359 -7.380 484 HG23 THR 84 HG23 THR 84 4.371 -5.605 -5.851 485 H ALA 85 H ALA 85 3.040 -4.720 -3.308 486 HA ALA 85 HA ALA 85 0.518 -3.268 -3.579 487 HB1 ALA 85 HB1 ALA 85 0.323 -4.352 -1.376 488 HB2 ALA 85 HB2 ALA 85 0.479 -2.603 -1.210 489 HB3 ALA 85 HB3 ALA 85 1.864 -3.647 -0.882 490 H ASP 86 H ASP 86 0.870 -1.179 -4.058 491 HA ASP 86 HA ASP 86 3.650 -0.210 -4.235 492 HB2 ASP 86 HB2 ASP 86 1.047 0.985 -5.300 493 HB3 ASP 86 HB3 ASP 86 2.668 1.594 -5.630 494 H ILE 87 H ILE 87 4.478 1.347 -2.913 495 HA ILE 87 HA ILE 87 2.730 2.216 -0.706 496 HB ILE 87 HB ILE 87 4.840 2.772 0.513 497 HG12 ILE 87 HG12 ILE 87 6.263 1.430 -1.832 498 HG13 ILE 87 HG13 ILE 87 6.366 3.135 -1.424 499 HG21 ILE 87 HG21 ILE 87 5.459 0.434 1.004 500 HG22 ILE 87 HG22 ILE 87 4.640 -0.099 -0.466 501 HG23 ILE 87 HG23 ILE 87 3.711 0.619 0.852 502 HD11 ILE 87 HD11 ILE 87 8.354 1.932 -0.730 503 HD12 ILE 87 HD12 ILE 87 7.387 0.850 0.269 504 HD13 ILE 87 HD13 ILE 87 7.499 2.564 0.677 505 H TYR 88 H TYR 88 2.289 4.262 -0.210 506 HA TYR 88 HA TYR 88 3.194 6.435 -2.009 507 HB2 TYR 88 HB2 TYR 88 0.337 5.559 -1.442 508 HB3 TYR 88 HB3 TYR 88 0.689 7.215 -1.904 509 HD1 TYR 88 HD2 TYR 88 1.300 3.693 -3.132 510 HD2 TYR 88 HD1 TYR 88 0.642 7.767 -4.170 511 HE1 TYR 88 HE2 TYR 88 1.179 3.078 -5.506 512 HE2 TYR 88 HE1 TYR 88 0.522 7.162 -6.536 513 HH TYR 88 HH TYR 88 1.214 5.443 -8.022 514 H LYS 89 H LYS 89 3.028 8.516 -1.194 515 HA LYS 89 HA LYS 89 2.670 8.830 1.743 516 HB2 LYS 89 HB2 LYS 89 4.389 10.350 -0.267 517 HB3 LYS 89 HB3 LYS 89 4.095 10.943 1.360 518 HG2 LYS 89 HG2 LYS 89 5.429 8.304 0.680 519 HG3 LYS 89 HG3 LYS 89 6.282 9.789 1.105 520 HD2 LYS 89 HD2 LYS 89 4.333 8.310 2.914 521 HD3 LYS 89 HD3 LYS 89 6.092 8.194 3.011 522 HE2 LYS 89 HE2 LYS 89 6.264 10.545 3.615 523 HE3 LYS 89 HE3 LYS 89 4.534 10.781 3.355 524 HZ1 LYS 89 HZ1 LYS 89 4.104 9.236 5.162 525 HZ2 LYS 89 HZ2 LYS 89 5.015 10.560 5.678 526 HZ3 LYS 89 HZ3 LYS 89 5.764 9.066 5.432 527 H LYS 90 H LYS 90 1.435 10.606 2.480 528 HA LYS 90 HA LYS 90 -0.715 11.424 0.751 529 HB2 LYS 90 HB2 LYS 90 -1.030 10.855 3.169 530 HB3 LYS 90 HB3 LYS 90 -0.106 12.284 3.613 531 HG2 LYS 90 HG2 LYS 90 -1.828 13.712 2.556 532 HG3 LYS 90 HG3 LYS 90 -2.751 12.276 2.119 533 HD2 LYS 90 HD2 LYS 90 -3.045 11.715 4.498 534 HD3 LYS 90 HD3 LYS 90 -2.065 13.109 4.966 535 HE2 LYS 90 HE2 LYS 90 -3.759 14.633 4.054 536 HE3 LYS 90 HE3 LYS 90 -4.720 13.259 3.494 537 HZ1 LYS 90 HZ1 LYS 90 -5.561 14.121 5.575 538 HZ2 LYS 90 HZ2 LYS 90 -4.068 13.882 6.324 539 HZ3 LYS 90 HZ3 LYS 90 -4.970 12.554 5.797 540 H LYS 91 H LYS 91 -0.697 13.139 -0.519 541 HA LYS 91 HA LYS 91 1.458 15.055 -0.524 542 HB2 LYS 91 HB2 LYS 91 -0.997 14.706 -2.288 543 HB3 LYS 91 HB3 LYS 91 0.203 15.965 -2.547 544 HG2 LYS 91 HG2 LYS 91 1.921 14.303 -3.003 545 HG3 LYS 91 HG3 LYS 91 0.810 12.996 -2.595 546 HD2 LYS 91 HD2 LYS 91 0.978 13.125 -5.001 547 HD3 LYS 91 HD3 LYS 91 -0.632 13.666 -4.538 548 HE2 LYS 91 HE2 LYS 91 1.658 15.556 -5.184 549 HE3 LYS 91 HE3 LYS 91 0.483 15.010 -6.373 550 HZ1 LYS 91 HZ1 LYS 91 -0.050 16.652 -3.962 551 HZ2 LYS 91 HZ2 LYS 91 -1.259 16.014 -4.953 552 HZ3 LYS 91 HZ3 LYS 91 -0.162 17.135 -5.574 553 H LEU 92 H LEU 92 1.324 16.491 1.132 554 HA LEU 92 HA LEU 92 -0.980 18.191 1.587 555 HB2 LEU 92 HB2 LEU 92 1.948 18.496 2.411 556 HB3 LEU 92 HB3 LEU 92 0.686 19.631 2.847 557 HG LEU 92 HG LEU 92 -0.458 17.749 4.122 558 HD11 LEU 92 HD11 LEU 92 0.862 15.794 4.784 559 HD12 LEU 92 HD12 LEU 92 2.154 16.271 3.679 560 HD13 LEU 92 HD13 LEU 92 0.570 15.816 3.046 561 HD21 LEU 92 HD21 LEU 92 0.843 19.475 5.291 562 HD22 LEU 92 HD22 LEU 92 2.326 18.542 5.073 563 HD23 LEU 92 HD23 LEU 92 1.023 17.913 6.087 564 H GLU 93 H GLU 93 -1.343 20.198 0.591 565 HA GLU 93 HA GLU 93 -0.342 20.456 -2.033 566 HB2 GLU 93 HB2 GLU 93 -1.698 22.595 -2.104 567 HB3 GLU 93 HB3 GLU 93 -2.569 21.130 -1.692 568 HG2 GLU 93 HG2 GLU 93 -3.481 22.725 -0.248 569 HG3 GLU 93 HG3 GLU 93 -2.330 21.861 0.765 570 H HIS 94 H HIS 94 1.131 21.739 -3.006 571 HA HIS 94 HA HIS 94 2.780 23.586 -1.367 572 HB2 HIS 94 HB2 HIS 94 3.669 21.855 -3.719 573 HB3 HIS 94 HB3 HIS 94 4.676 23.071 -2.934 574 HD1 HIS 94 HD1 HIS 94 5.725 22.427 -0.660 575 HD2 HIS 94 HD2 HIS 94 3.285 19.480 -2.274 576 HE1 HIS 94 HE1 HIS 94 6.184 20.364 0.700 577 HE2 HIS 94 HE2 HIS 94 4.579 18.642 -0.192 578 H HIS 95 H HIS 95 0.569 23.370 -3.853 579 HA HIS 95 HA HIS 95 1.427 25.701 -5.408 580 HB2 HIS 95 HB2 HIS 95 0.290 23.659 -6.417 581 HB3 HIS 95 HB3 HIS 95 -1.169 24.088 -5.548 582 HD1 HIS 95 HD1 HIS 95 1.052 25.378 -8.343 583 HD2 HIS 95 HD2 HIS 95 -2.809 25.891 -6.873 584 HE1 HIS 95 HE1 HIS 95 -0.169 26.708 -10.093 585 HE2 HIS 95 HE2 HIS 95 -2.457 27.112 -9.125 586 H HIS 96 H HIS 96 1.348 26.475 -2.862 587 HA HIS 96 HA HIS 96 -1.220 26.877 -1.694 588 HB2 HIS 96 HB2 HIS 96 0.815 26.313 -0.378 589 HB3 HIS 96 HB3 HIS 96 1.482 27.900 -0.737 590 HD1 HIS 96 HD1 HIS 96 -1.412 26.302 1.114 591 HD2 HIS 96 HD2 HIS 96 0.666 29.899 0.974 592 HE1 HIS 96 HE1 HIS 96 -2.277 27.657 3.049 593 HE2 HIS 96 HE2 HIS 96 -1.174 29.911 2.789 594 H HIS 97 H HIS 97 -2.225 28.112 -3.241 595 HA HIS 97 HA HIS 97 -2.321 30.925 -2.927 596 HB2 HIS 97 HB2 HIS 97 -1.068 29.892 -5.509 597 HB3 HIS 97 HB3 HIS 97 -1.856 31.454 -5.419 598 HD1 HIS 97 HD1 HIS 97 1.359 29.844 -4.991 599 HD2 HIS 97 HD2 HIS 97 -0.472 33.292 -3.575 600 HE1 HIS 97 HE1 HIS 97 3.224 31.279 -4.117 601 HE2 HIS 97 HE2 HIS 97 2.085 33.290 -3.137 602 H HIS 98 H HIS 98 -3.057 28.014 -4.759 603 HA HIS 98 HA HIS 98 -4.972 26.951 -5.226 604 HB2 HIS 98 HB2 HIS 98 -5.575 27.672 -2.900 605 HB3 HIS 98 HB3 HIS 98 -6.342 29.110 -3.563 606 HD1 HIS 98 HD1 HIS 98 -8.784 28.764 -3.234 607 HD2 HIS 98 HD2 HIS 98 -6.952 25.295 -4.618 608 HE1 HIS 98 HE1 HIS 98 -10.645 27.106 -3.561 609 HE2 HIS 98 HE2 HIS 98 -9.528 25.059 -4.513 610 H HIS 99 H HIS 99 -4.011 29.209 -6.962 611 HA HIS 99 HA HIS 99 -6.490 29.778 -8.484 612 HB2 HIS 99 HB2 HIS 99 -3.658 30.890 -8.786 613 HB3 HIS 99 HB3 HIS 99 -4.981 31.264 -9.889 614 HD1 HIS 99 HD1 HIS 99 -3.616 32.132 -6.547 615 HD2 HIS 99 HD2 HIS 99 -7.045 32.888 -8.773 616 HE1 HIS 99 HE1 HIS 99 -4.762 34.045 -5.397 617 HE2 HIS 99 HE2 HIS 99 -6.923 34.352 -6.647 Start of MODEL 5 1 H1 ALA 22 H1 ALA 22 0.358 1.223 8.946 2 H2 ALA 22 H2 ALA 22 -0.590 2.564 9.340 3 H3 ALA 22 H3 ALA 22 1.034 2.773 8.926 4 HA ALA 22 HA ALA 22 -0.430 3.420 7.136 5 HB1 ALA 22 HB1 ALA 22 0.686 2.116 5.364 6 HB2 ALA 22 HB2 ALA 22 1.202 0.920 6.559 7 HB3 ALA 22 HB3 ALA 22 1.826 2.569 6.634 8 H GLU 23 H GLU 23 -2.334 3.021 5.961 9 HA GLU 23 HA GLU 23 -3.849 0.612 6.791 10 HB2 GLU 23 HB2 GLU 23 -5.878 1.820 6.091 11 HB3 GLU 23 HB3 GLU 23 -4.954 2.728 7.280 12 HG2 GLU 23 HG2 GLU 23 -4.069 4.184 5.484 13 HG3 GLU 23 HG3 GLU 23 -4.998 3.270 4.295 14 H ILE 24 H ILE 24 -4.923 -0.717 5.333 15 HA ILE 24 HA ILE 24 -3.795 -0.913 2.661 16 HB ILE 24 HB ILE 24 -5.753 -2.672 4.205 17 HG12 ILE 24 HG12 ILE 24 -3.346 -2.748 4.904 18 HG13 ILE 24 HG13 ILE 24 -3.945 -4.291 4.315 19 HG21 ILE 24 HG21 ILE 24 -4.701 -3.163 1.393 20 HG22 ILE 24 HG22 ILE 24 -6.380 -2.856 1.849 21 HG23 ILE 24 HG23 ILE 24 -5.584 -4.338 2.374 22 HD11 ILE 24 HD11 ILE 24 -1.679 -3.846 3.557 23 HD12 ILE 24 HD12 ILE 24 -2.211 -2.367 2.760 24 HD13 ILE 24 HD13 ILE 24 -2.788 -3.936 2.190 25 H MET 25 H MET 25 -4.748 -0.203 0.864 26 HA MET 25 HA MET 25 -7.681 0.126 0.710 27 HB2 MET 25 HB2 MET 25 -5.587 1.972 -0.542 28 HB3 MET 25 HB3 MET 25 -7.317 2.050 -0.865 29 HG2 MET 25 HG2 MET 25 -7.693 2.562 1.564 30 HG3 MET 25 HG3 MET 25 -5.946 2.604 1.781 31 HE1 MET 25 HE1 MET 25 -9.074 4.378 0.164 32 HE2 MET 25 HE2 MET 25 -8.117 3.961 -1.260 33 HE3 MET 25 HE3 MET 25 -8.308 5.649 -0.789 34 H LYS 26 H LYS 26 -8.396 0.070 -1.628 35 HA LYS 26 HA LYS 26 -6.810 -1.894 -3.197 36 HB2 LYS 26 HB2 LYS 26 -9.801 -1.303 -3.177 37 HB3 LYS 26 HB3 LYS 26 -9.022 -2.413 -4.307 38 HG2 LYS 26 HG2 LYS 26 -8.325 -3.869 -2.471 39 HG3 LYS 26 HG3 LYS 26 -8.952 -2.725 -1.281 40 HD2 LYS 26 HD2 LYS 26 -11.254 -3.111 -2.141 41 HD3 LYS 26 HD3 LYS 26 -10.614 -4.277 -3.307 42 HE2 LYS 26 HE2 LYS 26 -9.874 -5.745 -1.497 43 HE3 LYS 26 HE3 LYS 26 -10.343 -4.549 -0.287 44 HZ1 LYS 26 HZ1 LYS 26 -12.211 -5.921 -2.141 45 HZ2 LYS 26 HZ2 LYS 26 -12.635 -4.833 -0.916 46 HZ3 LYS 26 HZ3 LYS 26 -11.960 -6.330 -0.519 47 H LYS 27 H LYS 27 -7.214 -1.674 -5.639 48 HA LYS 27 HA LYS 27 -5.832 0.618 -6.430 49 HB2 LYS 27 HB2 LYS 27 -5.846 -1.600 -7.616 50 HB3 LYS 27 HB3 LYS 27 -7.461 -1.243 -8.206 51 HG2 LYS 27 HG2 LYS 27 -6.097 -0.677 -10.030 52 HG3 LYS 27 HG3 LYS 27 -6.400 0.886 -9.263 53 HD2 LYS 27 HD2 LYS 27 -4.047 0.704 -9.904 54 HD3 LYS 27 HD3 LYS 27 -4.185 0.766 -8.145 55 HE2 LYS 27 HE2 LYS 27 -3.811 -1.637 -7.985 56 HE3 LYS 27 HE3 LYS 27 -3.851 -1.805 -9.742 57 HZ1 LYS 27 HZ1 LYS 27 -1.865 -0.446 -9.871 58 HZ2 LYS 27 HZ2 LYS 27 -1.604 -1.808 -8.921 59 HZ3 LYS 27 HZ3 LYS 27 -1.820 -0.301 -8.187 60 H THR 28 H THR 28 -9.221 -0.246 -7.084 61 HA THR 28 HA THR 28 -9.897 2.063 -8.581 62 HB THR 28 HB THR 28 -11.770 0.191 -7.058 63 HG1 THR 28 HG1 THR 28 -10.768 -1.191 -8.340 64 HG21 THR 28 HG21 THR 28 -12.257 1.874 -9.557 65 HG22 THR 28 HG22 THR 28 -12.905 2.211 -7.951 66 HG23 THR 28 HG23 THR 28 -13.413 0.762 -8.814 67 H ASP 29 H ASP 29 -10.332 1.176 -5.182 68 HA ASP 29 HA ASP 29 -11.853 3.334 -4.229 69 HB2 ASP 29 HB2 ASP 29 -9.741 1.674 -2.764 70 HB3 ASP 29 HB3 ASP 29 -10.944 2.699 -1.981 71 H PHE 30 H PHE 30 -8.362 2.868 -4.451 72 HA PHE 30 HA PHE 30 -7.620 5.368 -3.264 73 HB2 PHE 30 HB2 PHE 30 -6.129 3.445 -3.095 74 HB3 PHE 30 HB3 PHE 30 -6.027 3.297 -4.850 75 HD1 PHE 30 HD1 PHE 30 -5.096 5.450 -1.953 76 HD2 PHE 30 HD2 PHE 30 -4.471 4.618 -6.103 77 HE1 PHE 30 HE1 PHE 30 -3.196 6.992 -1.989 78 HE2 PHE 30 HE2 PHE 30 -2.573 6.169 -6.123 79 HZ PHE 30 HZ PHE 30 -1.936 7.351 -4.068 80 H ASP 31 H ASP 31 -8.106 4.231 -6.567 81 HA ASP 31 HA ASP 31 -6.410 5.951 -7.962 82 HB2 ASP 31 HB2 ASP 31 -7.451 3.897 -8.886 83 HB3 ASP 31 HB3 ASP 31 -9.019 4.691 -8.891 84 H LYS 32 H LYS 32 -9.778 6.401 -7.007 85 HA LYS 32 HA LYS 32 -10.419 8.720 -8.476 86 HB2 LYS 32 HB2 LYS 32 -11.510 7.840 -5.770 87 HB3 LYS 32 HB3 LYS 32 -12.294 8.966 -6.877 88 HG2 LYS 32 HG2 LYS 32 -12.558 7.141 -8.540 89 HG3 LYS 32 HG3 LYS 32 -11.758 6.020 -7.431 90 HD2 LYS 32 HD2 LYS 32 -13.598 6.415 -5.769 91 HD3 LYS 32 HD3 LYS 32 -14.415 7.441 -6.953 92 HE2 LYS 32 HE2 LYS 32 -13.776 4.489 -7.316 93 HE3 LYS 32 HE3 LYS 32 -15.354 5.152 -6.895 94 HZ1 LYS 32 HZ1 LYS 32 -15.218 4.650 -9.237 95 HZ2 LYS 32 HZ2 LYS 32 -13.873 5.657 -9.417 96 HZ3 LYS 32 HZ3 LYS 32 -15.378 6.320 -9.015 97 H VAL 33 H VAL 33 -8.566 8.328 -5.526 98 HA VAL 33 HA VAL 33 -8.302 11.275 -5.196 99 HB VAL 33 HB VAL 33 -7.854 10.890 -2.793 100 HG11 VAL 33 HG11 VAL 33 -10.134 10.240 -2.055 101 HG12 VAL 33 HG12 VAL 33 -10.472 9.589 -3.660 102 HG13 VAL 33 HG13 VAL 33 -10.195 11.319 -3.451 103 HG21 VAL 33 HG21 VAL 33 -8.425 7.942 -3.336 104 HG22 VAL 33 HG22 VAL 33 -8.194 8.657 -1.738 105 HG23 VAL 33 HG23 VAL 33 -6.861 8.631 -2.893 106 H ALA 34 H ALA 34 -6.703 9.171 -6.842 107 HA ALA 34 HA ALA 34 -4.204 8.666 -5.643 108 HB1 ALA 34 HB1 ALA 34 -4.996 7.547 -7.683 109 HB2 ALA 34 HB2 ALA 34 -3.388 8.237 -7.916 110 HB3 ALA 34 HB3 ALA 34 -4.805 9.048 -8.592 111 H SER 35 H SER 35 -5.418 11.535 -7.221 112 HA SER 35 HA SER 35 -3.082 12.960 -7.800 113 HB2 SER 35 HB2 SER 35 -4.622 14.982 -7.695 114 HB3 SER 35 HB3 SER 35 -5.201 13.661 -8.712 115 HG SER 35 HG SER 35 -6.014 14.116 -6.021 116 H GLU 36 H GLU 36 -4.706 12.429 -4.752 117 HA GLU 36 HA GLU 36 -3.538 14.689 -3.354 118 HB2 GLU 36 HB2 GLU 36 -4.860 12.239 -2.104 119 HB3 GLU 36 HB3 GLU 36 -4.727 13.851 -1.418 120 HG2 GLU 36 HG2 GLU 36 -6.459 13.034 -3.771 121 HG3 GLU 36 HG3 GLU 36 -7.022 13.341 -2.134 122 H TYR 37 H TYR 37 -2.331 11.684 -4.354 123 HA TYR 37 HA TYR 37 -0.377 11.497 -2.123 124 HB2 TYR 37 HB2 TYR 37 -1.735 9.179 -3.585 125 HB3 TYR 37 HB3 TYR 37 -0.489 9.021 -2.346 126 HD1 TYR 37 HD1 TYR 37 -1.007 9.436 0.007 127 HD2 TYR 37 HD2 TYR 37 -4.056 9.827 -2.949 128 HE1 TYR 37 HE1 TYR 37 -2.703 9.475 1.758 129 HE2 TYR 37 HE2 TYR 37 -5.766 9.840 -1.187 130 HH TYR 37 HH TYR 37 -6.069 9.174 1.107 131 H THR 38 H THR 38 1.577 10.345 -2.676 132 HA THR 38 HA THR 38 2.397 10.418 -5.512 133 HB THR 38 HB THR 38 3.425 12.370 -4.398 134 HG1 THR 38 HG1 THR 38 5.737 11.566 -4.628 135 HG21 THR 38 HG21 THR 38 3.426 11.613 -2.050 136 HG22 THR 38 HG22 THR 38 5.035 12.146 -2.539 137 HG23 THR 38 HG23 THR 38 4.674 10.422 -2.423 138 H LYS 39 H LYS 39 3.416 8.574 -6.172 139 HA LYS 39 HA LYS 39 3.425 6.293 -4.390 140 HB2 LYS 39 HB2 LYS 39 2.653 6.126 -6.746 141 HB3 LYS 39 HB3 LYS 39 4.287 6.477 -7.309 142 HG2 LYS 39 HG2 LYS 39 5.130 4.411 -6.331 143 HG3 LYS 39 HG3 LYS 39 3.571 4.098 -5.554 144 HD2 LYS 39 HD2 LYS 39 2.507 3.881 -7.780 145 HD3 LYS 39 HD3 LYS 39 4.071 4.170 -8.555 146 HE2 LYS 39 HE2 LYS 39 4.967 2.117 -7.596 147 HE3 LYS 39 HE3 LYS 39 3.484 1.859 -6.674 148 HZ1 LYS 39 HZ1 LYS 39 3.796 1.766 -9.620 149 HZ2 LYS 39 HZ2 LYS 39 2.305 1.717 -8.826 150 HZ3 LYS 39 HZ3 LYS 39 3.431 0.481 -8.576 151 H ILE 40 H ILE 40 5.095 5.690 -3.199 152 HA ILE 40 HA ILE 40 7.772 6.841 -3.741 153 HB ILE 40 HB ILE 40 8.322 6.211 -1.390 154 HG12 ILE 40 HG12 ILE 40 5.390 5.363 -1.218 155 HG13 ILE 40 HG13 ILE 40 6.777 4.289 -1.118 156 HG21 ILE 40 HG21 ILE 40 6.940 7.952 -0.298 157 HG22 ILE 40 HG22 ILE 40 5.819 7.926 -1.661 158 HG23 ILE 40 HG23 ILE 40 7.482 8.467 -1.896 159 HD11 ILE 40 HD11 ILE 40 5.835 4.650 1.047 160 HD12 ILE 40 HD12 ILE 40 5.990 6.397 0.883 161 HD13 ILE 40 HD13 ILE 40 7.434 5.386 0.990 162 H GLY 41 H GLY 41 6.021 3.933 -4.076 163 HA2 GLY 41 HA2 GLY 41 7.858 2.594 -5.580 164 HA3 GLY 41 HA3 GLY 41 8.241 2.083 -3.941 165 H THR 42 H THR 42 7.643 0.059 -5.369 166 HA THR 42 HA THR 42 4.954 -0.750 -4.386 167 HB THR 42 HB THR 42 6.444 -1.956 -6.788 168 HG1 THR 42 HG1 THR 42 4.019 -0.493 -6.844 169 HG21 THR 42 HG21 THR 42 3.640 -2.525 -5.719 170 HG22 THR 42 HG22 THR 42 5.023 -3.616 -5.606 171 HG23 THR 42 HG23 THR 42 4.345 -3.218 -7.184 172 H ILE 43 H ILE 43 5.047 -2.345 -2.898 173 HA ILE 43 HA ILE 43 7.523 -3.943 -2.572 174 HB ILE 43 HB ILE 43 6.897 -4.262 -0.189 175 HG12 ILE 43 HG12 ILE 43 4.687 -2.202 -0.701 176 HG13 ILE 43 HG13 ILE 43 4.421 -3.917 -0.402 177 HG21 ILE 43 HG21 ILE 43 7.504 -1.997 0.608 178 HG22 ILE 43 HG22 ILE 43 7.145 -1.336 -0.987 179 HG23 ILE 43 HG23 ILE 43 8.476 -2.476 -0.785 180 HD11 ILE 43 HD11 ILE 43 5.594 -1.933 1.543 181 HD12 ILE 43 HD12 ILE 43 5.373 -3.659 1.849 182 HD13 ILE 43 HD13 ILE 43 3.973 -2.623 1.578 183 H SER 44 H SER 44 7.165 -6.098 -1.697 184 HA SER 44 HA SER 44 4.582 -7.364 -2.194 185 HB2 SER 44 HB2 SER 44 5.682 -9.122 -3.650 186 HB3 SER 44 HB3 SER 44 5.606 -7.525 -4.390 187 HG SER 44 HG SER 44 7.883 -8.600 -3.061 188 H THR 45 H THR 45 4.364 -9.352 -1.149 189 HA THR 45 HA THR 45 5.901 -9.736 1.219 190 HB THR 45 HB THR 45 4.411 -11.760 1.504 191 HG1 THR 45 HG1 THR 45 3.821 -12.445 -0.454 192 HG21 THR 45 HG21 THR 45 3.677 -9.554 2.352 193 HG22 THR 45 HG22 THR 45 2.317 -10.508 1.764 194 HG23 THR 45 HG23 THR 45 2.953 -9.190 0.781 195 H THR 46 H THR 46 7.413 -11.296 1.686 196 HA THR 46 HA THR 46 8.883 -12.520 -0.412 197 HB THR 46 HB THR 46 9.999 -13.755 1.604 198 HG1 THR 46 HG1 THR 46 8.758 -13.564 3.320 199 HG21 THR 46 HG21 THR 46 10.039 -10.714 1.515 200 HG22 THR 46 HG22 THR 46 11.019 -11.789 0.514 201 HG23 THR 46 HG23 THR 46 11.266 -11.742 2.259 202 H GLY 47 H GLY 47 7.603 -13.824 -1.603 203 HA2 GLY 47 HA2 GLY 47 6.880 -15.931 -2.259 204 HA3 GLY 47 HA3 GLY 47 6.912 -16.471 -0.588 205 H GLU 48 H GLU 48 4.852 -17.373 -1.738 206 HA GLU 48 HA GLU 48 2.566 -15.582 -1.864 207 HB2 GLU 48 HB2 GLU 48 2.799 -18.598 -2.225 208 HB3 GLU 48 HB3 GLU 48 1.362 -17.636 -2.575 209 HG2 GLU 48 HG2 GLU 48 2.446 -16.505 -4.395 210 HG3 GLU 48 HG3 GLU 48 4.025 -17.151 -3.945 211 H MET 49 H MET 49 1.613 -14.982 0.009 212 HA MET 49 HA MET 49 1.290 -16.961 2.211 213 HB2 MET 49 HB2 MET 49 1.721 -13.941 2.498 214 HB3 MET 49 HB3 MET 49 1.487 -15.078 3.820 215 HG2 MET 49 HG2 MET 49 3.622 -16.250 2.950 216 HG3 MET 49 HG3 MET 49 3.880 -14.791 2.001 217 HE1 MET 49 HE1 MET 49 2.893 -12.472 3.920 218 HE2 MET 49 HE2 MET 49 4.474 -12.371 3.137 219 HE3 MET 49 HE3 MET 49 4.333 -12.097 4.871 220 H SER 50 H SER 50 -0.549 -16.379 3.689 221 HA SER 50 HA SER 50 -3.006 -16.272 2.346 222 HB2 SER 50 HB2 SER 50 -2.493 -15.685 5.297 223 HB3 SER 50 HB3 SER 50 -4.015 -16.225 4.576 224 HG SER 50 HG SER 50 -1.677 -17.644 5.106 225 HA PRO 51 HA PRO 51 -3.459 -12.050 1.235 226 HB2 PRO 51 HB2 PRO 51 -6.200 -11.579 1.669 227 HB3 PRO 51 HB3 PRO 51 -5.509 -12.391 0.248 228 HG2 PRO 51 HG2 PRO 51 -6.688 -13.607 2.721 229 HG3 PRO 51 HG3 PRO 51 -6.902 -14.084 1.021 230 HD2 PRO 51 HD2 PRO 51 -5.257 -15.457 2.605 231 HD3 PRO 51 HD3 PRO 51 -4.803 -15.140 0.918 232 H LEU 52 H LEU 52 -5.184 -12.695 4.319 233 HA LEU 52 HA LEU 52 -5.083 -9.995 5.261 234 HB2 LEU 52 HB2 LEU 52 -5.537 -12.605 6.759 235 HB3 LEU 52 HB3 LEU 52 -5.642 -11.029 7.518 236 HG LEU 52 HG LEU 52 -7.882 -11.672 7.103 237 HD11 LEU 52 HD11 LEU 52 -8.741 -9.995 5.591 238 HD12 LEU 52 HD12 LEU 52 -7.163 -9.819 4.820 239 HD13 LEU 52 HD13 LEU 52 -7.386 -9.339 6.505 240 HD21 LEU 52 HD21 LEU 52 -8.766 -12.459 4.958 241 HD22 LEU 52 HD22 LEU 52 -7.495 -13.523 5.550 242 HD23 LEU 52 HD23 LEU 52 -7.151 -12.385 4.245 243 H ASP 53 H ASP 53 -3.104 -12.876 5.875 244 HA ASP 53 HA ASP 53 -1.258 -11.764 7.702 245 HB2 ASP 53 HB2 ASP 53 -1.498 -14.177 7.347 246 HB3 ASP 53 HB3 ASP 53 -0.956 -14.023 5.679 247 H ALA 54 H ALA 54 -1.398 -11.758 4.210 248 HA ALA 54 HA ALA 54 1.200 -10.778 3.608 249 HB1 ALA 54 HB1 ALA 54 -0.154 -12.030 1.965 250 HB2 ALA 54 HB2 ALA 54 0.284 -10.445 1.331 251 HB3 ALA 54 HB3 ALA 54 -1.352 -10.730 1.933 252 H ARG 55 H ARG 55 -1.994 -9.310 4.043 253 HA ARG 55 HA ARG 55 -1.451 -6.639 3.427 254 HB2 ARG 55 HB2 ARG 55 -3.376 -7.831 5.455 255 HB3 ARG 55 HB3 ARG 55 -3.329 -6.113 5.074 256 HG2 ARG 55 HG2 ARG 55 -3.979 -6.556 2.772 257 HG3 ARG 55 HG3 ARG 55 -3.920 -8.297 3.058 258 HD2 ARG 55 HD2 ARG 55 -6.230 -7.517 3.112 259 HD3 ARG 55 HD3 ARG 55 -5.760 -8.073 4.720 260 HE ARG 55 HE ARG 55 -6.236 -5.305 3.854 261 HH11 ARG 55 HH11 ARG 55 -5.461 -7.448 6.544 262 HH12 ARG 55 HH12 ARG 55 -5.787 -6.246 7.737 263 HH21 ARG 55 HH21 ARG 55 -6.632 -3.747 5.453 264 HH22 ARG 55 HH22 ARG 55 -6.450 -4.151 7.115 265 H GLU 56 H GLU 56 -1.209 -8.363 6.558 266 HA GLU 56 HA GLU 56 -0.475 -6.100 8.121 267 HB2 GLU 56 HB2 GLU 56 0.099 -9.036 8.738 268 HB3 GLU 56 HB3 GLU 56 0.051 -7.711 9.898 269 HG2 GLU 56 HG2 GLU 56 -2.282 -8.843 8.337 270 HG3 GLU 56 HG3 GLU 56 -1.981 -9.053 10.055 271 H ASP 57 H ASP 57 1.410 -8.538 6.371 272 HA ASP 57 HA ASP 57 4.022 -7.843 7.191 273 HB2 ASP 57 HB2 ASP 57 3.492 -9.903 5.906 274 HB3 ASP 57 HB3 ASP 57 3.059 -8.938 4.503 275 H LEU 58 H LEU 58 2.095 -6.768 4.411 276 HA LEU 58 HA LEU 58 4.011 -4.973 3.325 277 HB2 LEU 58 HB2 LEU 58 1.011 -5.177 2.861 278 HB3 LEU 58 HB3 LEU 58 2.116 -4.232 1.868 279 HG LEU 58 HG LEU 58 2.267 -7.257 2.207 280 HD11 LEU 58 HD11 LEU 58 1.194 -5.722 -0.166 281 HD12 LEU 58 HD12 LEU 58 0.242 -6.660 0.984 282 HD13 LEU 58 HD13 LEU 58 1.406 -7.472 -0.059 283 HD21 LEU 58 HD21 LEU 58 3.867 -7.230 0.352 284 HD22 LEU 58 HD22 LEU 58 4.459 -6.282 1.713 285 HD23 LEU 58 HD23 LEU 58 3.794 -5.465 0.296 286 H ILE 59 H ILE 59 1.211 -4.482 5.454 287 HA ILE 59 HA ILE 59 1.238 -1.701 5.737 288 HB ILE 59 HB ILE 59 0.465 -3.899 7.715 289 HG12 ILE 59 HG12 ILE 59 -1.300 -1.939 6.176 290 HG13 ILE 59 HG13 ILE 59 -0.987 -3.600 5.685 291 HG21 ILE 59 HG21 ILE 59 -0.624 -2.156 9.130 292 HG22 ILE 59 HG22 ILE 59 0.115 -0.902 8.132 293 HG23 ILE 59 HG23 ILE 59 1.129 -1.986 9.086 294 HD11 ILE 59 HD11 ILE 59 -2.405 -2.736 8.206 295 HD12 ILE 59 HD12 ILE 59 -2.074 -4.407 7.734 296 HD13 ILE 59 HD13 ILE 59 -3.145 -3.406 6.754 297 H LYS 60 H LYS 60 2.916 -4.233 7.638 298 HA LYS 60 HA LYS 60 4.114 -2.538 9.538 299 HB2 LYS 60 HB2 LYS 60 3.881 -4.977 9.870 300 HB3 LYS 60 HB3 LYS 60 5.031 -5.281 8.570 301 HG2 LYS 60 HG2 LYS 60 6.817 -4.165 9.895 302 HG3 LYS 60 HG3 LYS 60 5.660 -3.880 11.200 303 HD2 LYS 60 HD2 LYS 60 5.391 -6.329 11.496 304 HD3 LYS 60 HD3 LYS 60 6.534 -6.615 10.177 305 HE2 LYS 60 HE2 LYS 60 8.326 -5.521 11.478 306 HE3 LYS 60 HE3 LYS 60 7.186 -5.196 12.790 307 HZ1 LYS 60 HZ1 LYS 60 8.528 -7.148 13.220 308 HZ2 LYS 60 HZ2 LYS 60 7.960 -7.888 11.812 309 HZ3 LYS 60 HZ3 LYS 60 6.896 -7.562 13.087 310 H LYS 61 H LYS 61 5.426 -3.940 6.520 311 HA LYS 61 HA LYS 61 7.996 -2.771 6.703 312 HB2 LYS 61 HB2 LYS 61 6.439 -3.853 4.331 313 HB3 LYS 61 HB3 LYS 61 8.072 -3.204 4.168 314 HG2 LYS 61 HG2 LYS 61 8.806 -4.897 5.922 315 HG3 LYS 61 HG3 LYS 61 7.205 -5.634 5.764 316 HD2 LYS 61 HD2 LYS 61 7.611 -6.134 3.406 317 HD3 LYS 61 HD3 LYS 61 9.140 -5.242 3.439 318 HE2 LYS 61 HE2 LYS 61 9.581 -7.635 3.557 319 HE3 LYS 61 HE3 LYS 61 10.030 -6.883 5.089 320 HZ1 LYS 61 HZ1 LYS 61 7.938 -7.648 6.024 321 HZ2 LYS 61 HZ2 LYS 61 8.834 -8.944 5.418 322 HZ3 LYS 61 HZ3 LYS 61 7.507 -8.358 4.550 323 H ALA 62 H ALA 62 5.068 -1.710 4.951 324 HA ALA 62 HA ALA 62 6.164 0.551 3.671 325 HB1 ALA 62 HB1 ALA 62 3.842 1.254 3.349 326 HB2 ALA 62 HB2 ALA 62 3.303 0.097 4.571 327 HB3 ALA 62 HB3 ALA 62 4.017 -0.478 3.064 328 H ASP 63 H ASP 63 4.565 0.204 6.808 329 HA ASP 63 HA ASP 63 4.494 2.957 7.520 330 HB2 ASP 63 HB2 ASP 63 3.069 1.088 8.502 331 HB3 ASP 63 HB3 ASP 63 4.490 0.524 9.371 332 H GLU 64 H GLU 64 6.733 0.280 8.173 333 HA GLU 64 HA GLU 64 8.639 1.628 9.776 334 HB2 GLU 64 HB2 GLU 64 8.384 -0.863 9.501 335 HB3 GLU 64 HB3 GLU 64 9.050 -0.737 7.886 336 HG2 GLU 64 HG2 GLU 64 10.630 0.101 10.334 337 HG3 GLU 64 HG3 GLU 64 10.579 -1.570 9.786 338 H LYS 65 H LYS 65 8.206 1.404 6.278 339 HA LYS 65 HA LYS 65 10.619 2.844 5.562 340 HB2 LYS 65 HB2 LYS 65 8.151 2.137 3.914 341 HB3 LYS 65 HB3 LYS 65 9.615 2.871 3.261 342 HG2 LYS 65 HG2 LYS 65 10.914 0.879 3.784 343 HG3 LYS 65 HG3 LYS 65 9.525 0.148 4.602 344 HD2 LYS 65 HD2 LYS 65 8.276 0.257 2.394 345 HD3 LYS 65 HD3 LYS 65 9.785 0.775 1.634 346 HE2 LYS 65 HE2 LYS 65 9.304 -1.862 3.057 347 HE3 LYS 65 HE3 LYS 65 9.432 -1.623 1.316 348 HZ1 LYS 65 HZ1 LYS 65 11.486 -2.445 2.104 349 HZ2 LYS 65 HZ2 LYS 65 11.570 -1.296 3.337 350 HZ3 LYS 65 HZ3 LYS 65 11.734 -0.814 1.725 351 H GLY 66 H GLY 66 7.547 3.730 6.760 352 HA2 GLY 66 HA2 GLY 66 6.687 5.818 7.207 353 HA3 GLY 66 HA3 GLY 66 8.005 6.557 6.311 354 H ALA 67 H ALA 67 5.270 4.367 5.611 355 HA ALA 67 HA ALA 67 4.421 6.153 3.380 356 HB1 ALA 67 HB1 ALA 67 3.946 3.154 3.637 357 HB2 ALA 67 HB2 ALA 67 5.133 3.918 2.579 358 HB3 ALA 67 HB3 ALA 67 3.413 4.190 2.306 359 H ASP 68 H ASP 68 2.210 6.599 3.196 360 HA ASP 68 HA ASP 68 0.645 6.379 5.671 361 HB2 ASP 68 HB2 ASP 68 0.207 7.958 3.097 362 HB3 ASP 68 HB3 ASP 68 -0.972 7.917 4.403 363 H VAL 69 H VAL 69 0.339 5.546 2.190 364 HA VAL 69 HA VAL 69 -1.989 3.801 2.864 365 HB VAL 69 HB VAL 69 -1.542 5.367 0.268 366 HG11 VAL 69 HG11 VAL 69 -3.817 4.624 -0.356 367 HG12 VAL 69 HG12 VAL 69 -3.924 3.657 1.117 368 HG13 VAL 69 HG13 VAL 69 -2.748 3.240 -0.130 369 HG21 VAL 69 HG21 VAL 69 -3.479 6.728 0.976 370 HG22 VAL 69 HG22 VAL 69 -2.146 6.858 2.124 371 HG23 VAL 69 HG23 VAL 69 -3.546 5.850 2.509 372 H VAL 70 H VAL 70 -1.908 1.748 2.260 373 HA VAL 70 HA VAL 70 0.200 0.759 0.415 374 HB VAL 70 HB VAL 70 -1.125 -0.890 2.636 375 HG11 VAL 70 HG11 VAL 70 1.463 -1.310 1.089 376 HG12 VAL 70 HG12 VAL 70 -0.045 -2.201 0.871 377 HG13 VAL 70 HG13 VAL 70 0.855 -2.357 2.377 378 HG21 VAL 70 HG21 VAL 70 0.861 -0.513 4.058 379 HG22 VAL 70 HG22 VAL 70 -0.021 0.985 3.758 380 HG23 VAL 70 HG23 VAL 70 1.478 0.658 2.887 381 H VAL 71 H VAL 71 -0.833 0.350 -1.480 382 HA VAL 71 HA VAL 71 -3.690 -0.391 -1.531 383 HB VAL 71 HB VAL 71 -1.895 0.861 -3.667 384 HG11 VAL 71 HG11 VAL 71 -3.932 1.095 -5.066 385 HG12 VAL 71 HG12 VAL 71 -4.852 0.157 -3.886 386 HG13 VAL 71 HG13 VAL 71 -3.533 -0.600 -4.782 387 HG21 VAL 71 HG21 VAL 71 -4.246 2.011 -2.112 388 HG22 VAL 71 HG22 VAL 71 -3.321 2.847 -3.363 389 HG23 VAL 71 HG23 VAL 71 -2.540 2.392 -1.850 390 H LEU 72 H LEU 72 -4.018 -2.506 -1.686 391 HA LEU 72 HA LEU 72 -2.136 -4.420 -2.584 392 HB2 LEU 72 HB2 LEU 72 -5.143 -4.683 -2.218 393 HB3 LEU 72 HB3 LEU 72 -4.074 -6.035 -2.565 394 HG LEU 72 HG LEU 72 -4.009 -4.317 -0.048 395 HD11 LEU 72 HD11 LEU 72 -4.778 -6.337 1.105 396 HD12 LEU 72 HD12 LEU 72 -4.867 -7.204 -0.429 397 HD13 LEU 72 HD13 LEU 72 -5.934 -5.831 -0.122 398 HD21 LEU 72 HD21 LEU 72 -2.267 -6.704 -0.776 399 HD22 LEU 72 HD22 LEU 72 -2.326 -5.923 0.807 400 HD23 LEU 72 HD23 LEU 72 -1.732 -5.030 -0.590 401 H THR 73 H THR 73 -1.391 -4.025 -4.601 402 HA THR 73 HA THR 73 -3.146 -3.899 -6.930 403 HB THR 73 HB THR 73 -1.111 -2.513 -6.870 404 HG1 THR 73 HG1 THR 73 -0.196 -3.580 -8.962 405 HG21 THR 73 HG21 THR 73 0.466 -5.111 -6.946 406 HG22 THR 73 HG22 THR 73 0.396 -3.988 -5.589 407 HG23 THR 73 HG23 THR 73 1.138 -3.484 -7.108 408 H SER 74 H SER 74 -2.082 -6.332 -4.961 409 HA SER 74 HA SER 74 -1.533 -8.466 -6.736 410 HB2 SER 74 HB2 SER 74 -2.234 -9.866 -4.700 411 HB3 SER 74 HB3 SER 74 -0.945 -8.700 -4.421 412 HG SER 74 HG SER 74 -2.209 -7.571 -3.152 413 H GLY 75 H GLY 75 -4.485 -6.861 -5.834 414 HA2 GLY 75 HA2 GLY 75 -6.595 -7.048 -6.806 415 HA3 GLY 75 HA3 GLY 75 -6.130 -8.565 -7.561 416 H GLN 76 H GLN 76 -5.228 -9.974 -5.380 417 HA GLN 76 HA GLN 76 -5.624 -11.138 -3.524 418 HB2 GLN 76 HB2 GLN 76 -6.151 -8.948 -2.417 419 HB3 GLN 76 HB3 GLN 76 -7.845 -9.163 -2.853 420 HG2 GLN 76 HG2 GLN 76 -7.854 -11.293 -1.513 421 HG3 GLN 76 HG3 GLN 76 -6.214 -10.921 -0.993 422 HE21 GLN 76 HE21 GLN 76 -6.858 -8.006 -0.774 423 HE22 GLN 76 HE22 GLN 76 -7.790 -7.866 0.669 424 H THR 77 H THR 77 -6.260 -12.985 -4.563 425 HA THR 77 HA THR 77 -9.154 -13.615 -4.418 426 HB THR 77 HB THR 77 -8.427 -13.602 -6.779 427 HG1 THR 77 HG1 THR 77 -9.902 -15.289 -5.799 428 HG21 THR 77 HG21 THR 77 -6.452 -15.786 -6.006 429 HG22 THR 77 HG22 THR 77 -6.030 -14.147 -6.506 430 HG23 THR 77 HG23 THR 77 -6.808 -15.243 -7.648 431 H GLU 78 H GLU 78 -6.049 -14.207 -3.230 432 HA GLU 78 HA GLU 78 -5.263 -15.470 -1.553 433 HB2 GLU 78 HB2 GLU 78 -7.447 -15.428 -0.483 434 HB3 GLU 78 HB3 GLU 78 -8.023 -16.736 -1.505 435 HG2 GLU 78 HG2 GLU 78 -6.493 -18.307 -0.429 436 HG3 GLU 78 HG3 GLU 78 -5.792 -17.007 0.536 437 H ASN 79 H ASN 79 -7.202 -17.518 -3.747 438 HA ASN 79 HA ASN 79 -5.676 -19.872 -3.458 439 HB2 ASN 79 HB2 ASN 79 -8.018 -19.867 -4.183 440 HB3 ASN 79 HB3 ASN 79 -7.598 -18.977 -5.640 441 HD21 ASN 79 HD21 ASN 79 -6.863 -20.112 -7.415 442 HD22 ASN 79 HD22 ASN 79 -6.724 -21.833 -7.469 443 H LYS 80 H LYS 80 -5.496 -17.202 -5.795 444 HA LYS 80 HA LYS 80 -2.854 -18.161 -6.683 445 HB2 LYS 80 HB2 LYS 80 -5.090 -17.271 -8.553 446 HB3 LYS 80 HB3 LYS 80 -3.403 -17.390 -9.048 447 HG2 LYS 80 HG2 LYS 80 -3.459 -19.831 -8.458 448 HG3 LYS 80 HG3 LYS 80 -5.191 -19.669 -8.134 449 HD2 LYS 80 HD2 LYS 80 -5.602 -19.031 -10.473 450 HD3 LYS 80 HD3 LYS 80 -3.867 -19.057 -10.811 451 HE2 LYS 80 HE2 LYS 80 -5.560 -21.455 -10.026 452 HE3 LYS 80 HE3 LYS 80 -4.943 -21.095 -11.640 453 HZ1 LYS 80 HZ1 LYS 80 -3.332 -21.730 -9.230 454 HZ2 LYS 80 HZ2 LYS 80 -2.679 -21.251 -10.716 455 HZ3 LYS 80 HZ3 LYS 80 -3.538 -22.703 -10.601 456 H ILE 81 H ILE 81 -2.308 -16.539 -5.037 457 HA ILE 81 HA ILE 81 -1.634 -14.040 -6.425 458 HB ILE 81 HB ILE 81 -1.843 -12.767 -4.157 459 HG12 ILE 81 HG12 ILE 81 -3.807 -13.640 -2.692 460 HG13 ILE 81 HG13 ILE 81 -3.588 -15.185 -3.494 461 HG21 ILE 81 HG21 ILE 81 -3.303 -12.286 -6.075 462 HG22 ILE 81 HG22 ILE 81 -4.176 -12.118 -4.553 463 HG23 ILE 81 HG23 ILE 81 -4.427 -13.551 -5.553 464 HD11 ILE 81 HD11 ILE 81 -1.521 -13.791 -1.794 465 HD12 ILE 81 HD12 ILE 81 -1.367 -15.386 -2.535 466 HD13 ILE 81 HD13 ILE 81 -2.573 -15.108 -1.280 467 H HIS 82 H HIS 82 0.194 -12.950 -5.386 468 HA HIS 82 HA HIS 82 2.079 -14.749 -3.985 469 HB2 HIS 82 HB2 HIS 82 2.902 -13.845 -6.128 470 HB3 HIS 82 HB3 HIS 82 2.526 -12.205 -5.622 471 HD1 HIS 82 HD1 HIS 82 5.070 -14.908 -5.248 472 HD2 HIS 82 HD2 HIS 82 4.413 -11.047 -3.864 473 HE1 HIS 82 HE1 HIS 82 7.269 -14.145 -4.302 474 HE2 HIS 82 HE2 HIS 82 6.836 -11.829 -3.425 475 H GLY 83 H GLY 83 0.529 -11.581 -4.003 476 HA2 GLY 83 HA2 GLY 83 -0.051 -10.358 -2.011 477 HA3 GLY 83 HA3 GLY 83 1.382 -11.011 -1.218 478 H THR 84 H THR 84 0.151 -8.438 -3.104 479 HA THR 84 HA THR 84 2.768 -7.131 -3.278 480 HB THR 84 HB THR 84 1.012 -7.170 -5.792 481 HG1 THR 84 HG1 THR 84 3.195 -8.952 -5.361 482 HG21 THR 84 HG21 THR 84 2.814 -5.450 -5.633 483 HG22 THR 84 HG22 THR 84 3.114 -6.602 -6.934 484 HG23 THR 84 HG23 THR 84 4.009 -6.737 -5.419 485 H ALA 85 H ALA 85 2.595 -4.860 -3.287 486 HA ALA 85 HA ALA 85 0.045 -3.508 -3.480 487 HB1 ALA 85 HB1 ALA 85 0.079 -2.597 -1.198 488 HB2 ALA 85 HB2 ALA 85 1.502 -3.574 -0.815 489 HB3 ALA 85 HB3 ALA 85 -0.035 -4.359 -1.176 490 H ASP 86 H ASP 86 0.323 -1.468 -4.179 491 HA ASP 86 HA ASP 86 2.959 -0.272 -4.456 492 HB2 ASP 86 HB2 ASP 86 0.264 1.049 -5.018 493 HB3 ASP 86 HB3 ASP 86 1.837 1.532 -5.636 494 H ILE 87 H ILE 87 3.810 1.230 -3.033 495 HA ILE 87 HA ILE 87 2.114 2.075 -0.757 496 HB ILE 87 HB ILE 87 4.288 2.558 0.442 497 HG12 ILE 87 HG12 ILE 87 5.568 0.966 -1.842 498 HG13 ILE 87 HG13 ILE 87 5.774 2.695 -1.599 499 HG21 ILE 87 HG21 ILE 87 2.970 0.534 0.867 500 HG22 ILE 87 HG22 ILE 87 4.691 0.179 0.992 501 HG23 ILE 87 HG23 ILE 87 3.794 -0.311 -0.447 502 HD11 ILE 87 HD11 ILE 87 6.685 0.527 0.292 503 HD12 ILE 87 HD12 ILE 87 6.907 2.264 0.527 504 HD13 ILE 87 HD13 ILE 87 7.697 1.446 -0.820 505 H TYR 88 H TYR 88 1.932 4.143 -0.123 506 HA TYR 88 HA TYR 88 2.815 6.280 -1.953 507 HB2 TYR 88 HB2 TYR 88 -0.065 5.818 -1.025 508 HB3 TYR 88 HB3 TYR 88 0.495 7.217 -1.935 509 HD1 TYR 88 HD1 TYR 88 1.084 6.988 -4.355 510 HD2 TYR 88 HD2 TYR 88 -0.427 3.671 -2.125 511 HE1 TYR 88 HE1 TYR 88 0.581 5.805 -6.450 512 HE2 TYR 88 HE2 TYR 88 -0.924 2.501 -4.219 513 HH TYR 88 HH TYR 88 -1.358 2.991 -6.551 514 H LYS 89 H LYS 89 3.006 8.238 -1.068 515 HA LYS 89 HA LYS 89 2.480 8.680 1.816 516 HB2 LYS 89 HB2 LYS 89 4.610 9.674 -0.105 517 HB3 LYS 89 HB3 LYS 89 4.122 10.735 1.210 518 HG2 LYS 89 HG2 LYS 89 5.153 7.913 1.591 519 HG3 LYS 89 HG3 LYS 89 6.143 9.368 1.710 520 HD2 LYS 89 HD2 LYS 89 3.696 8.848 3.456 521 HD3 LYS 89 HD3 LYS 89 5.337 8.426 3.921 522 HE2 LYS 89 HE2 LYS 89 4.833 10.498 4.997 523 HE3 LYS 89 HE3 LYS 89 5.938 10.883 3.679 524 HZ1 LYS 89 HZ1 LYS 89 4.115 11.690 2.383 525 HZ2 LYS 89 HZ2 LYS 89 4.060 12.427 3.898 526 HZ3 LYS 89 HZ3 LYS 89 2.985 11.172 3.536 527 H LYS 90 H LYS 90 1.084 10.352 2.345 528 HA LYS 90 HA LYS 90 -0.444 11.612 0.280 529 HB2 LYS 90 HB2 LYS 90 -1.245 11.043 2.710 530 HB3 LYS 90 HB3 LYS 90 -0.476 12.561 3.179 531 HG2 LYS 90 HG2 LYS 90 -1.889 13.730 1.454 532 HG3 LYS 90 HG3 LYS 90 -2.695 12.212 1.125 533 HD2 LYS 90 HD2 LYS 90 -3.533 12.172 3.477 534 HD3 LYS 90 HD3 LYS 90 -2.760 13.742 3.755 535 HE2 LYS 90 HE2 LYS 90 -4.155 14.698 1.886 536 HE3 LYS 90 HE3 LYS 90 -4.988 13.148 1.764 537 HZ1 LYS 90 HZ1 LYS 90 -5.720 13.447 4.063 538 HZ2 LYS 90 HZ2 LYS 90 -6.258 14.694 3.052 539 HZ3 LYS 90 HZ3 LYS 90 -4.964 14.957 4.107 540 H LYS 91 H LYS 91 0.050 13.378 -0.786 541 HA LYS 91 HA LYS 91 2.437 14.887 -0.381 542 HB2 LYS 91 HB2 LYS 91 0.021 15.464 -2.154 543 HB3 LYS 91 HB3 LYS 91 1.581 16.280 -2.265 544 HG2 LYS 91 HG2 LYS 91 2.662 14.183 -2.925 545 HG3 LYS 91 HG3 LYS 91 1.142 13.314 -2.723 546 HD2 LYS 91 HD2 LYS 91 1.410 13.664 -5.075 547 HD3 LYS 91 HD3 LYS 91 0.158 14.785 -4.556 548 HE2 LYS 91 HE2 LYS 91 3.062 15.626 -4.866 549 HE3 LYS 91 HE3 LYS 91 1.910 15.688 -6.198 550 HZ1 LYS 91 HZ1 LYS 91 2.091 17.815 -5.128 551 HZ2 LYS 91 HZ2 LYS 91 1.692 17.157 -3.629 552 HZ3 LYS 91 HZ3 LYS 91 0.540 17.194 -4.866 553 H LEU 92 H LEU 92 2.743 16.772 0.633 554 HA LEU 92 HA LEU 92 2.514 18.621 1.865 555 HB2 LEU 92 HB2 LEU 92 0.424 18.944 0.190 556 HB3 LEU 92 HB3 LEU 92 -0.505 18.716 1.656 557 HG LEU 92 HG LEU 92 1.588 20.897 1.261 558 HD11 LEU 92 HD11 LEU 92 -1.436 21.136 1.091 559 HD12 LEU 92 HD12 LEU 92 -0.296 21.265 -0.252 560 HD13 LEU 92 HD13 LEU 92 -0.281 22.471 1.029 561 HD21 LEU 92 HD21 LEU 92 1.289 20.313 3.634 562 HD22 LEU 92 HD22 LEU 92 -0.452 20.570 3.494 563 HD23 LEU 92 HD23 LEU 92 0.662 21.925 3.293 564 H GLU 93 H GLU 93 2.995 18.207 3.929 565 HA GLU 93 HA GLU 93 1.537 16.358 5.586 566 HB2 GLU 93 HB2 GLU 93 3.992 16.572 5.761 567 HB3 GLU 93 HB3 GLU 93 3.833 18.244 6.283 568 HG2 GLU 93 HG2 GLU 93 2.773 17.557 8.360 569 HG3 GLU 93 HG3 GLU 93 2.709 15.880 7.826 570 H HIS 94 H HIS 94 -0.506 17.386 5.377 571 HA HIS 94 HA HIS 94 -0.989 19.817 7.016 572 HB2 HIS 94 HB2 HIS 94 -1.611 19.811 4.527 573 HB3 HIS 94 HB3 HIS 94 -2.762 18.532 4.874 574 HD1 HIS 94 HD1 HIS 94 -5.091 19.312 5.431 575 HD2 HIS 94 HD2 HIS 94 -2.284 22.335 5.905 576 HE1 HIS 94 HE1 HIS 94 -6.415 21.389 5.907 577 HE2 HIS 94 HE2 HIS 94 -4.702 23.225 5.920 578 H HIS 95 H HIS 95 -0.476 17.765 8.517 579 HA HIS 95 HA HIS 95 -0.990 16.110 9.933 580 HB2 HIS 95 HB2 HIS 95 -3.843 17.094 9.547 581 HB3 HIS 95 HB3 HIS 95 -3.454 15.735 10.598 582 HD1 HIS 95 HD1 HIS 95 -2.957 16.324 12.961 583 HD2 HIS 95 HD2 HIS 95 -2.380 19.575 10.431 584 HE1 HIS 95 HE1 HIS 95 -2.500 18.280 14.468 585 HE2 HIS 95 HE2 HIS 95 -1.972 20.183 12.913 586 H HIS 96 H HIS 96 -0.415 14.222 9.114 587 HA HIS 96 HA HIS 96 -1.317 13.033 6.725 588 HB2 HIS 96 HB2 HIS 96 0.001 11.733 9.148 589 HB3 HIS 96 HB3 HIS 96 -0.235 10.924 7.601 590 HD1 HIS 96 HD1 HIS 96 1.593 11.172 5.940 591 HD2 HIS 96 HD2 HIS 96 1.881 13.969 8.989 592 HE1 HIS 96 HE1 HIS 96 3.787 12.324 5.597 593 HE2 HIS 96 HE2 HIS 96 4.032 13.819 7.583 594 H HIS 97 H HIS 97 -3.086 11.775 6.270 595 HA HIS 97 HA HIS 97 -4.878 10.790 8.304 596 HB2 HIS 97 HB2 HIS 97 -5.720 11.362 6.064 597 HB3 HIS 97 HB3 HIS 97 -4.664 10.172 5.322 598 HD1 HIS 97 HD1 HIS 97 -7.803 10.439 7.401 599 HD2 HIS 97 HD2 HIS 97 -5.675 7.575 5.288 600 HE1 HIS 97 HE1 HIS 97 -9.297 8.425 7.306 601 HE2 HIS 97 HE2 HIS 97 -7.888 6.650 6.221 602 H HIS 98 H HIS 98 -3.410 9.707 9.678 603 HA HIS 98 HA HIS 98 -2.415 7.081 8.849 604 HB2 HIS 98 HB2 HIS 98 -0.681 8.848 8.194 605 HB3 HIS 98 HB3 HIS 98 -0.501 9.224 9.899 606 HD1 HIS 98 HD1 HIS 98 1.001 7.297 7.318 607 HD2 HIS 98 HD2 HIS 98 0.401 6.716 11.388 608 HE1 HIS 98 HE1 HIS 98 2.729 5.615 8.020 609 HE2 HIS 98 HE2 HIS 98 2.246 5.174 10.446 610 H HIS 99 H HIS 99 -3.558 6.061 10.439 611 HA HIS 99 HA HIS 99 -2.931 6.660 13.275 612 HB2 HIS 99 HB2 HIS 99 -5.380 5.341 12.015 613 HB3 HIS 99 HB3 HIS 99 -5.024 5.213 13.735 614 HD1 HIS 99 HD1 HIS 99 -7.084 7.104 11.607 615 HD2 HIS 99 HD2 HIS 99 -4.585 8.075 14.776 616 HE1 HIS 99 HE1 HIS 99 -7.900 9.322 12.456 617 HE2 HIS 99 HE2 HIS 99 -6.497 9.782 14.492 Start of MODEL 6 1 H1 ALA 22 H1 ALA 22 1.759 3.325 8.096 2 H2 ALA 22 H2 ALA 22 0.885 2.064 8.803 3 H3 ALA 22 H3 ALA 22 0.205 3.602 8.685 4 HA ALA 22 HA ALA 22 0.129 3.494 6.335 5 HB1 ALA 22 HB1 ALA 22 1.327 0.719 6.625 6 HB2 ALA 22 HB2 ALA 22 2.164 2.143 6.004 7 HB3 ALA 22 HB3 ALA 22 0.795 1.473 5.119 8 H GLU 23 H GLU 23 -1.678 2.481 5.211 9 HA GLU 23 HA GLU 23 -3.392 0.654 6.785 10 HB2 GLU 23 HB2 GLU 23 -5.388 1.965 6.300 11 HB3 GLU 23 HB3 GLU 23 -4.209 3.013 7.078 12 HG2 GLU 23 HG2 GLU 23 -3.618 3.999 4.901 13 HG3 GLU 23 HG3 GLU 23 -4.767 2.933 4.093 14 H ILE 24 H ILE 24 -4.931 -0.542 5.439 15 HA ILE 24 HA ILE 24 -3.886 -1.140 2.765 16 HB ILE 24 HB ILE 24 -5.996 -2.510 4.500 17 HG12 ILE 24 HG12 ILE 24 -3.667 -2.843 5.261 18 HG13 ILE 24 HG13 ILE 24 -4.339 -4.347 4.649 19 HG21 ILE 24 HG21 ILE 24 -6.038 -4.330 2.805 20 HG22 ILE 24 HG22 ILE 24 -5.039 -3.343 1.735 21 HG23 ILE 24 HG23 ILE 24 -6.662 -2.807 2.171 22 HD11 ILE 24 HD11 ILE 24 -2.030 -4.072 3.957 23 HD12 ILE 24 HD12 ILE 24 -2.424 -2.538 3.179 24 HD13 ILE 24 HD13 ILE 24 -3.101 -4.043 2.557 25 H MET 25 H MET 25 -4.809 -0.486 0.933 26 HA MET 25 HA MET 25 -7.672 0.149 0.765 27 HB2 MET 25 HB2 MET 25 -5.435 1.964 -0.243 28 HB3 MET 25 HB3 MET 25 -7.106 2.116 -0.764 29 HG2 MET 25 HG2 MET 25 -7.770 2.602 1.580 30 HG3 MET 25 HG3 MET 25 -6.078 2.492 2.060 31 HE1 MET 25 HE1 MET 25 -8.783 4.566 0.092 32 HE2 MET 25 HE2 MET 25 -7.667 4.143 -1.208 33 HE3 MET 25 HE3 MET 25 -7.799 5.817 -0.671 34 H LYS 26 H LYS 26 -8.485 0.076 -1.403 35 HA LYS 26 HA LYS 26 -7.132 -1.883 -3.149 36 HB2 LYS 26 HB2 LYS 26 -9.991 -0.806 -3.303 37 HB3 LYS 26 HB3 LYS 26 -9.334 -2.192 -4.173 38 HG2 LYS 26 HG2 LYS 26 -9.056 -3.410 -2.059 39 HG3 LYS 26 HG3 LYS 26 -9.661 -2.015 -1.166 40 HD2 LYS 26 HD2 LYS 26 -11.845 -2.250 -2.398 41 HD3 LYS 26 HD3 LYS 26 -11.217 -3.727 -3.137 42 HE2 LYS 26 HE2 LYS 26 -11.632 -3.259 -0.162 43 HE3 LYS 26 HE3 LYS 26 -12.644 -4.256 -1.208 44 HZ1 LYS 26 HZ1 LYS 26 -9.797 -4.747 -0.525 45 HZ2 LYS 26 HZ2 LYS 26 -10.699 -5.674 -1.609 46 HZ3 LYS 26 HZ3 LYS 26 -11.132 -5.630 0.024 47 H LYS 27 H LYS 27 -6.773 -1.422 -5.363 48 HA LYS 27 HA LYS 27 -5.845 1.158 -5.969 49 HB2 LYS 27 HB2 LYS 27 -5.398 -1.280 -7.057 50 HB3 LYS 27 HB3 LYS 27 -6.545 -0.706 -8.250 51 HG2 LYS 27 HG2 LYS 27 -3.934 0.688 -7.531 52 HG3 LYS 27 HG3 LYS 27 -4.151 -0.396 -8.895 53 HD2 LYS 27 HD2 LYS 27 -5.583 2.260 -8.525 54 HD3 LYS 27 HD3 LYS 27 -4.183 1.996 -9.563 55 HE2 LYS 27 HE2 LYS 27 -5.536 0.370 -10.900 56 HE3 LYS 27 HE3 LYS 27 -6.940 0.756 -9.902 57 HZ1 LYS 27 HZ1 LYS 27 -6.990 1.994 -11.932 58 HZ2 LYS 27 HZ2 LYS 27 -5.446 2.621 -11.650 59 HZ3 LYS 27 HZ3 LYS 27 -6.730 3.066 -10.648 60 H THR 28 H THR 28 -8.902 -0.430 -6.814 61 HA THR 28 HA THR 28 -9.888 1.447 -8.678 62 HB THR 28 HB THR 28 -10.808 -0.792 -8.599 63 HG1 THR 28 HG1 THR 28 -12.881 0.962 -7.759 64 HG21 THR 28 HG21 THR 28 -11.921 -0.152 -5.836 65 HG22 THR 28 HG22 THR 28 -10.613 -1.286 -6.178 66 HG23 THR 28 HG23 THR 28 -12.246 -1.619 -6.759 67 H ASP 29 H ASP 29 -10.319 1.235 -5.145 68 HA ASP 29 HA ASP 29 -12.140 3.456 -4.906 69 HB2 ASP 29 HB2 ASP 29 -12.110 1.683 -3.197 70 HB3 ASP 29 HB3 ASP 29 -10.411 1.993 -2.855 71 H PHE 30 H PHE 30 -8.718 2.898 -4.410 72 HA PHE 30 HA PHE 30 -7.938 5.353 -3.314 73 HB2 PHE 30 HB2 PHE 30 -6.600 3.319 -3.107 74 HB3 PHE 30 HB3 PHE 30 -6.370 3.237 -4.847 75 HD1 PHE 30 HD1 PHE 30 -5.484 5.122 -1.783 76 HD2 PHE 30 HD2 PHE 30 -4.636 4.502 -5.924 77 HE1 PHE 30 HE1 PHE 30 -3.430 6.424 -1.568 78 HE2 PHE 30 HE2 PHE 30 -2.583 5.812 -5.697 79 HZ PHE 30 HZ PHE 30 -1.984 6.765 -3.515 80 H ASP 31 H ASP 31 -8.204 4.296 -6.667 81 HA ASP 31 HA ASP 31 -6.507 6.001 -8.030 82 HB2 ASP 31 HB2 ASP 31 -7.826 4.059 -8.981 83 HB3 ASP 31 HB3 ASP 31 -9.248 5.090 -9.003 84 H LYS 32 H LYS 32 -9.830 6.597 -7.029 85 HA LYS 32 HA LYS 32 -10.416 8.996 -8.334 86 HB2 LYS 32 HB2 LYS 32 -11.358 8.200 -5.557 87 HB3 LYS 32 HB3 LYS 32 -12.179 9.287 -6.675 88 HG2 LYS 32 HG2 LYS 32 -12.651 7.413 -8.191 89 HG3 LYS 32 HG3 LYS 32 -11.745 6.317 -7.141 90 HD2 LYS 32 HD2 LYS 32 -13.361 6.803 -5.295 91 HD3 LYS 32 HD3 LYS 32 -14.293 7.807 -6.409 92 HE2 LYS 32 HE2 LYS 32 -14.742 5.824 -7.822 93 HE3 LYS 32 HE3 LYS 32 -13.792 4.821 -6.716 94 HZ1 LYS 32 HZ1 LYS 32 -16.149 4.657 -6.267 95 HZ2 LYS 32 HZ2 LYS 32 -16.248 6.321 -6.015 96 HZ3 LYS 32 HZ3 LYS 32 -15.351 5.360 -4.957 97 H VAL 33 H VAL 33 -8.603 8.432 -5.344 98 HA VAL 33 HA VAL 33 -8.275 11.355 -4.905 99 HB VAL 33 HB VAL 33 -7.750 10.763 -2.506 100 HG11 VAL 33 HG11 VAL 33 -10.085 10.299 -1.795 101 HG12 VAL 33 HG12 VAL 33 -10.499 9.851 -3.451 102 HG13 VAL 33 HG13 VAL 33 -10.029 11.510 -3.079 103 HG21 VAL 33 HG21 VAL 33 -7.019 8.419 -2.819 104 HG22 VAL 33 HG22 VAL 33 -8.656 7.956 -3.290 105 HG23 VAL 33 HG23 VAL 33 -8.336 8.504 -1.645 106 H ALA 34 H ALA 34 -6.683 9.266 -6.618 107 HA ALA 34 HA ALA 34 -4.198 8.741 -5.392 108 HB1 ALA 34 HB1 ALA 34 -3.354 8.311 -7.653 109 HB2 ALA 34 HB2 ALA 34 -4.754 9.136 -8.346 110 HB3 ALA 34 HB3 ALA 34 -4.972 7.632 -7.449 111 H SER 35 H SER 35 -5.362 11.693 -6.904 112 HA SER 35 HA SER 35 -2.921 13.038 -7.352 113 HB2 SER 35 HB2 SER 35 -5.649 14.229 -6.706 114 HB3 SER 35 HB3 SER 35 -4.287 15.109 -7.396 115 HG SER 35 HG SER 35 -4.368 13.487 -9.126 116 H GLU 36 H GLU 36 -4.751 12.509 -4.439 117 HA GLU 36 HA GLU 36 -3.347 14.457 -2.807 118 HB2 GLU 36 HB2 GLU 36 -5.380 12.280 -2.223 119 HB3 GLU 36 HB3 GLU 36 -4.627 13.199 -0.930 120 HG2 GLU 36 HG2 GLU 36 -6.273 14.397 -3.176 121 HG3 GLU 36 HG3 GLU 36 -6.876 14.041 -1.557 122 H TYR 37 H TYR 37 -2.249 11.643 -4.149 123 HA TYR 37 HA TYR 37 -0.482 11.034 -1.853 124 HB2 TYR 37 HB2 TYR 37 -1.958 8.962 -3.535 125 HB3 TYR 37 HB3 TYR 37 -0.725 8.587 -2.326 126 HD1 TYR 37 HD1 TYR 37 -1.192 9.111 0.105 127 HD2 TYR 37 HD2 TYR 37 -4.248 9.435 -2.859 128 HE1 TYR 37 HE1 TYR 37 -2.891 9.194 1.867 129 HE2 TYR 37 HE2 TYR 37 -5.949 9.486 -1.090 130 HH TYR 37 HH TYR 37 -6.201 8.801 1.245 131 H THR 38 H THR 38 1.442 9.914 -2.434 132 HA THR 38 HA THR 38 2.394 10.294 -5.190 133 HB THR 38 HB THR 38 3.075 12.281 -3.875 134 HG1 THR 38 HG1 THR 38 5.466 10.822 -4.144 135 HG21 THR 38 HG21 THR 38 4.582 10.398 -2.037 136 HG22 THR 38 HG22 THR 38 3.153 11.340 -1.600 137 HG23 THR 38 HG23 THR 38 4.661 12.159 -2.014 138 H LYS 39 H LYS 39 3.271 8.443 -5.911 139 HA LYS 39 HA LYS 39 3.509 6.140 -4.215 140 HB2 LYS 39 HB2 LYS 39 2.762 6.097 -6.616 141 HB3 LYS 39 HB3 LYS 39 4.413 6.459 -7.105 142 HG2 LYS 39 HG2 LYS 39 5.184 4.337 -6.109 143 HG3 LYS 39 HG3 LYS 39 3.540 3.992 -5.559 144 HD2 LYS 39 HD2 LYS 39 2.746 3.859 -7.876 145 HD3 LYS 39 HD3 LYS 39 4.339 4.336 -8.476 146 HE2 LYS 39 HE2 LYS 39 3.705 1.775 -6.974 147 HE3 LYS 39 HE3 LYS 39 4.011 1.919 -8.706 148 HZ1 LYS 39 HZ1 LYS 39 5.952 2.566 -6.563 149 HZ2 LYS 39 HZ2 LYS 39 6.243 2.672 -8.221 150 HZ3 LYS 39 HZ3 LYS 39 5.964 1.170 -7.509 151 H ILE 40 H ILE 40 5.198 5.728 -2.949 152 HA ILE 40 HA ILE 40 7.805 7.002 -3.508 153 HB ILE 40 HB ILE 40 8.389 6.527 -1.167 154 HG12 ILE 40 HG12 ILE 40 5.543 5.493 -0.749 155 HG13 ILE 40 HG13 ILE 40 6.924 4.421 -0.951 156 HG21 ILE 40 HG21 ILE 40 5.709 7.945 -1.447 157 HG22 ILE 40 HG22 ILE 40 7.301 8.663 -1.706 158 HG23 ILE 40 HG23 ILE 40 6.832 8.124 -0.095 159 HD11 ILE 40 HD11 ILE 40 6.523 6.417 1.267 160 HD12 ILE 40 HD12 ILE 40 7.937 5.377 1.073 161 HD13 ILE 40 HD13 ILE 40 6.351 4.667 1.377 162 H GLY 41 H GLY 41 6.267 3.998 -3.803 163 HA2 GLY 41 HA2 GLY 41 8.372 2.628 -4.948 164 HA3 GLY 41 HA3 GLY 41 8.449 2.242 -3.228 165 H THR 42 H THR 42 8.154 0.134 -4.559 166 HA THR 42 HA THR 42 5.378 -0.708 -3.981 167 HB THR 42 HB THR 42 7.069 -1.759 -6.313 168 HG1 THR 42 HG1 THR 42 4.592 -0.642 -6.809 169 HG21 THR 42 HG21 THR 42 5.614 -3.517 -5.304 170 HG22 THR 42 HG22 THR 42 5.064 -3.076 -6.918 171 HG23 THR 42 HG23 THR 42 4.207 -2.462 -5.503 172 H ILE 43 H ILE 43 5.329 -2.437 -2.599 173 HA ILE 43 HA ILE 43 7.852 -3.910 -2.023 174 HB ILE 43 HB ILE 43 6.939 -4.362 0.259 175 HG12 ILE 43 HG12 ILE 43 4.742 -2.389 -0.529 176 HG13 ILE 43 HG13 ILE 43 4.514 -4.114 -0.267 177 HG21 ILE 43 HG21 ILE 43 7.368 -2.120 1.215 178 HG22 ILE 43 HG22 ILE 43 7.178 -1.396 -0.383 179 HG23 ILE 43 HG23 ILE 43 8.521 -2.496 -0.069 180 HD11 ILE 43 HD11 ILE 43 3.727 -2.846 1.614 181 HD12 ILE 43 HD12 ILE 43 5.301 -2.076 1.798 182 HD13 ILE 43 HD13 ILE 43 5.127 -3.809 2.089 183 H SER 44 H SER 44 7.427 -6.139 -1.148 184 HA SER 44 HA SER 44 5.005 -7.487 -1.971 185 HB2 SER 44 HB2 SER 44 6.281 -7.335 -4.125 186 HB3 SER 44 HB3 SER 44 7.629 -8.183 -3.372 187 HG SER 44 HG SER 44 6.128 -9.960 -3.025 188 H THR 45 H THR 45 4.956 -9.699 -1.288 189 HA THR 45 HA THR 45 6.829 -10.422 0.857 190 HB THR 45 HB THR 45 5.175 -12.155 1.437 191 HG1 THR 45 HG1 THR 45 3.781 -12.804 -0.006 192 HG21 THR 45 HG21 THR 45 3.782 -9.484 0.954 193 HG22 THR 45 HG22 THR 45 4.755 -9.892 2.370 194 HG23 THR 45 HG23 THR 45 3.245 -10.748 2.067 195 H THR 46 H THR 46 7.764 -12.586 0.863 196 HA THR 46 HA THR 46 8.375 -13.730 -1.762 197 HB THR 46 HB THR 46 9.348 -14.551 1.019 198 HG1 THR 46 HG1 THR 46 10.816 -13.170 -0.984 199 HG21 THR 46 HG21 THR 46 10.411 -15.355 -1.727 200 HG22 THR 46 HG22 THR 46 9.542 -16.413 -0.615 201 HG23 THR 46 HG23 THR 46 11.132 -15.788 -0.175 202 H GLY 47 H GLY 47 6.626 -14.831 -2.502 203 HA2 GLY 47 HA2 GLY 47 5.337 -16.757 -2.747 204 HA3 GLY 47 HA3 GLY 47 5.744 -17.241 -1.105 205 H GLU 48 H GLU 48 3.338 -17.752 -1.430 206 HA GLU 48 HA GLU 48 1.547 -15.451 -0.935 207 HB2 GLU 48 HB2 GLU 48 0.939 -18.324 -1.743 208 HB3 GLU 48 HB3 GLU 48 -0.259 -17.041 -1.559 209 HG2 GLU 48 HG2 GLU 48 0.637 -15.829 -3.429 210 HG3 GLU 48 HG3 GLU 48 2.036 -16.893 -3.525 211 H MET 49 H MET 49 0.727 -15.162 1.031 212 HA MET 49 HA MET 49 0.330 -17.434 2.889 213 HB2 MET 49 HB2 MET 49 0.427 -15.733 4.752 214 HB3 MET 49 HB3 MET 49 1.952 -15.900 3.897 215 HG2 MET 49 HG2 MET 49 -0.024 -13.677 3.345 216 HG3 MET 49 HG3 MET 49 1.307 -13.539 4.496 217 HE1 MET 49 HE1 MET 49 3.667 -15.072 3.150 218 HE2 MET 49 HE2 MET 49 3.871 -13.446 3.814 219 HE3 MET 49 HE3 MET 49 4.446 -13.818 2.187 220 H SER 50 H SER 50 -1.500 -16.615 4.543 221 HA SER 50 HA SER 50 -3.957 -16.314 3.186 222 HB2 SER 50 HB2 SER 50 -3.323 -15.747 6.122 223 HB3 SER 50 HB3 SER 50 -4.922 -16.063 5.442 224 HG SER 50 HG SER 50 -2.952 -17.970 4.962 225 HA PRO 51 HA PRO 51 -3.780 -12.134 2.004 226 HB2 PRO 51 HB2 PRO 51 -6.424 -11.313 2.017 227 HB3 PRO 51 HB3 PRO 51 -5.742 -12.409 0.799 228 HG2 PRO 51 HG2 PRO 51 -7.324 -13.071 3.254 229 HG3 PRO 51 HG3 PRO 51 -7.462 -13.743 1.614 230 HD2 PRO 51 HD2 PRO 51 -6.179 -15.073 3.585 231 HD3 PRO 51 HD3 PRO 51 -5.629 -15.158 1.894 232 H LEU 52 H LEU 52 -5.386 -12.702 5.096 233 HA LEU 52 HA LEU 52 -5.442 -9.965 5.966 234 HB2 LEU 52 HB2 LEU 52 -5.578 -12.548 7.577 235 HB3 LEU 52 HB3 LEU 52 -5.766 -10.954 8.277 236 HG LEU 52 HG LEU 52 -7.956 -11.878 8.063 237 HD11 LEU 52 HD11 LEU 52 -9.118 -10.308 6.597 238 HD12 LEU 52 HD12 LEU 52 -7.597 -9.910 5.794 239 HD13 LEU 52 HD13 LEU 52 -7.826 -9.515 7.499 240 HD21 LEU 52 HD21 LEU 52 -8.925 -12.738 5.982 241 HD22 LEU 52 HD22 LEU 52 -7.506 -13.667 6.455 242 HD23 LEU 52 HD23 LEU 52 -7.390 -12.489 5.144 243 H ASP 53 H ASP 53 -3.243 -12.713 6.491 244 HA ASP 53 HA ASP 53 -1.326 -11.388 8.121 245 HB2 ASP 53 HB2 ASP 53 -1.565 -13.873 7.912 246 HB3 ASP 53 HB3 ASP 53 -0.944 -13.785 6.269 247 H ALA 54 H ALA 54 -1.671 -11.813 4.641 248 HA ALA 54 HA ALA 54 0.731 -10.668 3.721 249 HB1 ALA 54 HB1 ALA 54 -0.432 -10.412 1.550 250 HB2 ALA 54 HB2 ALA 54 -1.986 -10.717 2.334 251 HB3 ALA 54 HB3 ALA 54 -0.764 -11.991 2.266 252 H ARG 55 H ARG 55 -2.468 -9.237 4.379 253 HA ARG 55 HA ARG 55 -1.988 -6.563 3.704 254 HB2 ARG 55 HB2 ARG 55 -3.812 -7.800 5.793 255 HB3 ARG 55 HB3 ARG 55 -3.771 -6.061 5.510 256 HG2 ARG 55 HG2 ARG 55 -4.462 -6.392 3.190 257 HG3 ARG 55 HG3 ARG 55 -4.439 -8.142 3.417 258 HD2 ARG 55 HD2 ARG 55 -6.238 -7.946 5.103 259 HD3 ARG 55 HD3 ARG 55 -6.258 -6.194 4.868 260 HE ARG 55 HE ARG 55 -7.244 -6.473 2.775 261 HH11 ARG 55 HH11 ARG 55 -6.698 -9.588 4.288 262 HH12 ARG 55 HH12 ARG 55 -7.746 -10.435 3.201 263 HH21 ARG 55 HH21 ARG 55 -8.580 -7.616 1.328 264 HH22 ARG 55 HH22 ARG 55 -8.807 -9.319 1.533 265 H GLU 56 H GLU 56 -1.609 -8.197 6.849 266 HA GLU 56 HA GLU 56 -0.795 -5.948 8.348 267 HB2 GLU 56 HB2 GLU 56 -0.267 -8.913 8.819 268 HB3 GLU 56 HB3 GLU 56 -0.028 -7.651 10.025 269 HG2 GLU 56 HG2 GLU 56 -2.409 -7.143 10.044 270 HG3 GLU 56 HG3 GLU 56 -2.693 -8.272 8.723 271 H ASP 57 H ASP 57 1.104 -8.414 6.589 272 HA ASP 57 HA ASP 57 3.662 -7.529 7.435 273 HB2 ASP 57 HB2 ASP 57 3.198 -9.755 6.359 274 HB3 ASP 57 HB3 ASP 57 2.952 -8.930 4.820 275 H LEU 58 H LEU 58 1.658 -6.754 4.587 276 HA LEU 58 HA LEU 58 3.586 -5.029 3.364 277 HB2 LEU 58 HB2 LEU 58 0.608 -5.355 2.852 278 HB3 LEU 58 HB3 LEU 58 1.687 -4.403 1.841 279 HG LEU 58 HG LEU 58 1.974 -7.403 2.311 280 HD11 LEU 58 HD11 LEU 58 1.203 -7.721 0.010 281 HD12 LEU 58 HD12 LEU 58 0.872 -5.992 -0.125 282 HD13 LEU 58 HD13 LEU 58 -0.036 -6.979 1.021 283 HD21 LEU 58 HD21 LEU 58 3.459 -5.627 0.345 284 HD22 LEU 58 HD22 LEU 58 3.618 -7.381 0.481 285 HD23 LEU 58 HD23 LEU 58 4.137 -6.345 1.808 286 H ILE 59 H ILE 59 0.902 -4.430 5.609 287 HA ILE 59 HA ILE 59 0.952 -1.604 5.697 288 HB ILE 59 HB ILE 59 0.344 -3.625 7.916 289 HG12 ILE 59 HG12 ILE 59 -1.604 -1.858 6.369 290 HG13 ILE 59 HG13 ILE 59 -1.242 -3.522 5.931 291 HG21 ILE 59 HG21 ILE 59 -0.094 -0.608 8.023 292 HG22 ILE 59 HG22 ILE 59 1.048 -1.533 8.998 293 HG23 ILE 59 HG23 ILE 59 -0.684 -1.768 9.218 294 HD11 ILE 59 HD11 ILE 59 -2.500 -2.619 8.523 295 HD12 ILE 59 HD12 ILE 59 -2.152 -4.290 8.071 296 HD13 ILE 59 HD13 ILE 59 -3.331 -3.355 7.153 297 H LYS 60 H LYS 60 2.702 -4.054 7.593 298 HA LYS 60 HA LYS 60 4.192 -2.371 9.261 299 HB2 LYS 60 HB2 LYS 60 3.877 -4.788 9.623 300 HB3 LYS 60 HB3 LYS 60 4.851 -5.149 8.207 301 HG2 LYS 60 HG2 LYS 60 6.852 -4.291 9.313 302 HG3 LYS 60 HG3 LYS 60 5.898 -3.767 10.705 303 HD2 LYS 60 HD2 LYS 60 7.087 -5.879 11.170 304 HD3 LYS 60 HD3 LYS 60 5.339 -6.107 11.229 305 HE2 LYS 60 HE2 LYS 60 5.418 -7.056 8.918 306 HE3 LYS 60 HE3 LYS 60 7.174 -6.881 8.928 307 HZ1 LYS 60 HZ1 LYS 60 5.562 -8.581 10.739 308 HZ2 LYS 60 HZ2 LYS 60 7.241 -8.376 10.837 309 HZ3 LYS 60 HZ3 LYS 60 6.555 -9.101 9.474 310 H LYS 61 H LYS 61 5.261 -3.987 6.262 311 HA LYS 61 HA LYS 61 7.821 -2.882 6.058 312 HB2 LYS 61 HB2 LYS 61 5.950 -4.241 4.114 313 HB3 LYS 61 HB3 LYS 61 7.355 -3.418 3.450 314 HG2 LYS 61 HG2 LYS 61 7.748 -5.840 3.792 315 HG3 LYS 61 HG3 LYS 61 8.867 -4.838 4.716 316 HD2 LYS 61 HD2 LYS 61 7.493 -5.227 6.762 317 HD3 LYS 61 HD3 LYS 61 6.417 -6.270 5.826 318 HE2 LYS 61 HE2 LYS 61 9.377 -6.773 6.303 319 HE3 LYS 61 HE3 LYS 61 8.057 -7.562 7.164 320 HZ1 LYS 61 HZ1 LYS 61 8.630 -7.776 4.269 321 HZ2 LYS 61 HZ2 LYS 61 7.305 -8.476 5.039 322 HZ3 LYS 61 HZ3 LYS 61 8.870 -8.979 5.430 323 H ALA 62 H ALA 62 4.778 -1.829 4.483 324 HA ALA 62 HA ALA 62 5.764 0.368 3.064 325 HB1 ALA 62 HB1 ALA 62 3.464 1.215 3.059 326 HB2 ALA 62 HB2 ALA 62 3.040 0.095 4.359 327 HB3 ALA 62 HB3 ALA 62 3.498 -0.525 2.772 328 H ASP 63 H ASP 63 4.539 0.206 6.401 329 HA ASP 63 HA ASP 63 4.674 2.988 6.969 330 HB2 ASP 63 HB2 ASP 63 3.276 1.279 8.214 331 HB3 ASP 63 HB3 ASP 63 4.746 0.676 8.961 332 H GLU 64 H GLU 64 6.982 0.313 7.408 333 HA GLU 64 HA GLU 64 9.054 1.699 8.732 334 HB2 GLU 64 HB2 GLU 64 9.159 -0.629 6.779 335 HB3 GLU 64 HB3 GLU 64 10.564 -0.055 7.669 336 HG2 GLU 64 HG2 GLU 64 9.550 -0.668 9.784 337 HG3 GLU 64 HG3 GLU 64 8.040 -1.097 8.985 338 H LYS 65 H LYS 65 8.307 1.355 5.240 339 HA LYS 65 HA LYS 65 10.473 3.090 4.397 340 HB2 LYS 65 HB2 LYS 65 8.094 1.929 2.901 341 HB3 LYS 65 HB3 LYS 65 9.159 3.111 2.154 342 HG2 LYS 65 HG2 LYS 65 9.918 0.997 1.399 343 HG3 LYS 65 HG3 LYS 65 11.091 1.520 2.606 344 HD2 LYS 65 HD2 LYS 65 10.000 0.038 4.282 345 HD3 LYS 65 HD3 LYS 65 8.849 -0.491 3.057 346 HE2 LYS 65 HE2 LYS 65 10.555 -2.189 3.308 347 HE3 LYS 65 HE3 LYS 65 10.774 -1.421 1.735 348 HZ1 LYS 65 HZ1 LYS 65 12.327 -0.796 4.184 349 HZ2 LYS 65 HZ2 LYS 65 12.565 -0.111 2.660 350 HZ3 LYS 65 HZ3 LYS 65 12.867 -1.754 2.906 351 H GLY 66 H GLY 66 7.528 3.752 5.941 352 HA2 GLY 66 HA2 GLY 66 7.000 5.904 6.740 353 HA3 GLY 66 HA3 GLY 66 7.830 6.631 5.379 354 H ALA 67 H ALA 67 5.891 4.221 4.162 355 HA ALA 67 HA ALA 67 4.138 5.986 2.827 356 HB1 ALA 67 HB1 ALA 67 3.922 2.980 3.109 357 HB2 ALA 67 HB2 ALA 67 4.846 3.840 1.879 358 HB3 ALA 67 HB3 ALA 67 3.086 3.973 1.911 359 H ASP 68 H ASP 68 2.030 6.447 3.054 360 HA ASP 68 HA ASP 68 0.771 6.055 5.664 361 HB2 ASP 68 HB2 ASP 68 0.024 7.799 3.282 362 HB3 ASP 68 HB3 ASP 68 -0.866 7.756 4.799 363 H VAL 69 H VAL 69 0.316 5.260 2.247 364 HA VAL 69 HA VAL 69 -1.979 3.513 2.940 365 HB VAL 69 HB VAL 69 -1.607 5.197 0.413 366 HG11 VAL 69 HG11 VAL 69 -3.825 3.193 1.023 367 HG12 VAL 69 HG12 VAL 69 -2.598 3.039 -0.235 368 HG13 VAL 69 HG13 VAL 69 -3.813 4.310 -0.343 369 HG21 VAL 69 HG21 VAL 69 -2.424 6.500 2.342 370 HG22 VAL 69 HG22 VAL 69 -3.740 5.352 2.588 371 HG23 VAL 69 HG23 VAL 69 -3.693 6.340 1.124 372 H VAL 70 H VAL 70 -2.066 1.554 2.008 373 HA VAL 70 HA VAL 70 0.200 0.540 0.382 374 HB VAL 70 HB VAL 70 -1.506 -1.159 2.284 375 HG11 VAL 70 HG11 VAL 70 0.359 -2.782 2.105 376 HG12 VAL 70 HG12 VAL 70 1.202 -1.697 0.997 377 HG13 VAL 70 HG13 VAL 70 -0.342 -2.413 0.527 378 HG21 VAL 70 HG21 VAL 70 0.340 -1.105 3.931 379 HG22 VAL 70 HG22 VAL 70 -0.405 0.478 3.707 380 HG23 VAL 70 HG23 VAL 70 1.155 0.126 2.965 381 H VAL 71 H VAL 71 -0.647 0.380 -1.626 382 HA VAL 71 HA VAL 71 -3.506 -0.092 -2.075 383 HB VAL 71 HB VAL 71 -1.258 0.593 -4.036 384 HG11 VAL 71 HG11 VAL 71 -3.075 -0.600 -5.192 385 HG12 VAL 71 HG12 VAL 71 -3.054 1.097 -5.668 386 HG13 VAL 71 HG13 VAL 71 -4.264 0.519 -4.519 387 HG21 VAL 71 HG21 VAL 71 -3.424 2.381 -2.850 388 HG22 VAL 71 HG22 VAL 71 -2.237 2.867 -4.062 389 HG23 VAL 71 HG23 VAL 71 -1.706 2.422 -2.440 390 H LEU 72 H LEU 72 -3.914 -2.245 -1.745 391 HA LEU 72 HA LEU 72 -2.183 -4.369 -2.538 392 HB2 LEU 72 HB2 LEU 72 -5.144 -4.462 -1.857 393 HB3 LEU 72 HB3 LEU 72 -4.147 -5.881 -2.142 394 HG LEU 72 HG LEU 72 -4.009 -3.956 0.201 395 HD11 LEU 72 HD11 LEU 72 -5.670 -5.754 0.356 396 HD12 LEU 72 HD12 LEU 72 -4.382 -5.972 1.535 397 HD13 LEU 72 HD13 LEU 72 -4.411 -6.959 0.072 398 HD21 LEU 72 HD21 LEU 72 -1.684 -4.359 -0.436 399 HD22 LEU 72 HD22 LEU 72 -1.966 -6.100 -0.486 400 HD23 LEU 72 HD23 LEU 72 -2.060 -5.232 1.048 401 H THR 73 H THR 73 -2.012 -5.427 -4.377 402 HA THR 73 HA THR 73 -3.996 -5.084 -6.542 403 HB THR 73 HB THR 73 -1.946 -4.939 -8.125 404 HG1 THR 73 HG1 THR 73 -0.354 -3.733 -6.300 405 HG21 THR 73 HG21 THR 73 -2.426 -2.592 -6.233 406 HG22 THR 73 HG22 THR 73 -3.353 -2.941 -7.695 407 HG23 THR 73 HG23 THR 73 -1.651 -2.495 -7.816 408 H SER 74 H SER 74 -0.940 -6.744 -5.699 409 HA SER 74 HA SER 74 -2.027 -9.299 -6.758 410 HB2 SER 74 HB2 SER 74 -0.076 -8.376 -8.017 411 HB3 SER 74 HB3 SER 74 0.875 -8.372 -6.533 412 HG SER 74 HG SER 74 -0.073 -10.563 -8.041 413 H GLY 75 H GLY 75 -2.708 -8.491 -4.143 414 HA2 GLY 75 HA2 GLY 75 -1.806 -10.766 -2.631 415 HA3 GLY 75 HA3 GLY 75 -1.083 -9.275 -2.039 416 H GLN 76 H GLN 76 -4.295 -10.593 -2.945 417 HA GLN 76 HA GLN 76 -5.427 -9.812 -0.388 418 HB2 GLN 76 HB2 GLN 76 -7.177 -8.326 -1.319 419 HB3 GLN 76 HB3 GLN 76 -5.566 -7.676 -1.601 420 HG2 GLN 76 HG2 GLN 76 -5.665 -8.482 -3.948 421 HG3 GLN 76 HG3 GLN 76 -7.293 -9.090 -3.657 422 HE21 GLN 76 HE21 GLN 76 -5.349 -6.259 -4.146 423 HE22 GLN 76 HE22 GLN 76 -6.647 -5.145 -4.360 424 H THR 77 H THR 77 -5.842 -11.238 -3.576 425 HA THR 77 HA THR 77 -8.501 -12.217 -3.169 426 HB THR 77 HB THR 77 -7.975 -13.475 -5.354 427 HG1 THR 77 HG1 THR 77 -6.040 -12.958 -6.345 428 HG21 THR 77 HG21 THR 77 -9.106 -11.274 -5.387 429 HG22 THR 77 HG22 THR 77 -7.983 -11.434 -6.740 430 HG23 THR 77 HG23 THR 77 -7.537 -10.465 -5.335 431 H GLU 78 H GLU 78 -5.268 -13.684 -3.077 432 HA GLU 78 HA GLU 78 -4.395 -15.635 -2.379 433 HB2 GLU 78 HB2 GLU 78 -5.516 -15.098 -0.219 434 HB3 GLU 78 HB3 GLU 78 -6.957 -15.944 -0.768 435 HG2 GLU 78 HG2 GLU 78 -5.345 -17.998 -1.034 436 HG3 GLU 78 HG3 GLU 78 -4.282 -17.090 0.035 437 H ASN 79 H ASN 79 -4.577 -16.348 -4.559 438 HA ASN 79 HA ASN 79 -5.474 -19.058 -4.629 439 HB2 ASN 79 HB2 ASN 79 -7.616 -18.075 -5.369 440 HB3 ASN 79 HB3 ASN 79 -6.793 -17.128 -6.595 441 HD21 ASN 79 HD21 ASN 79 -8.193 -18.033 -8.174 442 HD22 ASN 79 HD22 ASN 79 -7.959 -19.639 -8.774 443 H LYS 80 H LYS 80 -4.429 -16.281 -6.550 444 HA LYS 80 HA LYS 80 -1.920 -17.543 -7.229 445 HB2 LYS 80 HB2 LYS 80 -3.458 -18.406 -9.028 446 HB3 LYS 80 HB3 LYS 80 -3.776 -16.747 -9.521 447 HG2 LYS 80 HG2 LYS 80 -1.429 -16.444 -10.151 448 HG3 LYS 80 HG3 LYS 80 -1.029 -18.049 -9.539 449 HD2 LYS 80 HD2 LYS 80 -2.494 -19.056 -11.279 450 HD3 LYS 80 HD3 LYS 80 -2.839 -17.444 -11.909 451 HE2 LYS 80 HE2 LYS 80 -0.461 -17.145 -12.494 452 HE3 LYS 80 HE3 LYS 80 -0.076 -18.720 -11.794 453 HZ1 LYS 80 HZ1 LYS 80 -1.526 -19.741 -13.460 454 HZ2 LYS 80 HZ2 LYS 80 -0.249 -18.877 -14.160 455 HZ3 LYS 80 HZ3 LYS 80 -1.805 -18.219 -14.148 456 H ILE 81 H ILE 81 -1.323 -15.841 -5.888 457 HA ILE 81 HA ILE 81 -0.815 -13.299 -7.266 458 HB ILE 81 HB ILE 81 -1.161 -12.113 -4.986 459 HG12 ILE 81 HG12 ILE 81 -3.155 -13.288 -3.635 460 HG13 ILE 81 HG13 ILE 81 -2.485 -14.764 -4.313 461 HG21 ILE 81 HG21 ILE 81 -3.560 -11.704 -5.361 462 HG22 ILE 81 HG22 ILE 81 -3.628 -13.100 -6.441 463 HG23 ILE 81 HG23 ILE 81 -2.641 -11.701 -6.870 464 HD11 ILE 81 HD11 ILE 81 -1.696 -14.360 -2.067 465 HD12 ILE 81 HD12 ILE 81 -1.038 -12.796 -2.552 466 HD13 ILE 81 HD13 ILE 81 -0.356 -14.285 -3.212 467 H HIS 82 H HIS 82 0.756 -12.114 -5.234 468 HA HIS 82 HA HIS 82 2.542 -14.017 -4.009 469 HB2 HIS 82 HB2 HIS 82 4.633 -13.114 -5.241 470 HB3 HIS 82 HB3 HIS 82 3.608 -14.242 -6.114 471 HD1 HIS 82 HD1 HIS 82 2.543 -13.433 -8.265 472 HD2 HIS 82 HD2 HIS 82 4.487 -10.427 -6.186 473 HE1 HIS 82 HE1 HIS 82 2.612 -11.475 -9.839 474 HE2 HIS 82 HE2 HIS 82 3.968 -9.741 -8.632 475 H GLY 83 H GLY 83 0.836 -11.745 -3.383 476 HA2 GLY 83 HA2 GLY 83 0.702 -10.298 -1.643 477 HA3 GLY 83 HA3 GLY 83 2.244 -10.928 -1.109 478 H THR 84 H THR 84 1.420 -9.029 -4.044 479 HA THR 84 HA THR 84 3.492 -7.055 -3.284 480 HB THR 84 HB THR 84 2.224 -7.540 -6.018 481 HG1 THR 84 HG1 THR 84 4.126 -8.868 -4.676 482 HG21 THR 84 HG21 THR 84 4.086 -6.183 -6.902 483 HG22 THR 84 HG22 THR 84 4.649 -5.862 -5.261 484 HG23 THR 84 HG23 THR 84 3.092 -5.231 -5.798 485 H ALA 85 H ALA 85 3.048 -4.927 -3.147 486 HA ALA 85 HA ALA 85 0.426 -3.793 -3.768 487 HB1 ALA 85 HB1 ALA 85 1.595 -3.733 -0.962 488 HB2 ALA 85 HB2 ALA 85 0.173 -4.646 -1.467 489 HB3 ALA 85 HB3 ALA 85 0.140 -2.882 -1.497 490 H ASP 86 H ASP 86 0.569 -1.651 -4.284 491 HA ASP 86 HA ASP 86 3.249 -0.442 -4.533 492 HB2 ASP 86 HB2 ASP 86 0.526 0.501 -5.567 493 HB3 ASP 86 HB3 ASP 86 2.084 1.213 -5.983 494 H ILE 87 H ILE 87 3.915 1.210 -3.151 495 HA ILE 87 HA ILE 87 1.948 1.947 -1.064 496 HB ILE 87 HB ILE 87 3.781 2.167 0.522 497 HG12 ILE 87 HG12 ILE 87 5.662 1.102 -1.648 498 HG13 ILE 87 HG13 ILE 87 5.638 2.773 -1.095 499 HG21 ILE 87 HG21 ILE 87 2.613 0.018 0.303 500 HG22 ILE 87 HG22 ILE 87 4.301 -0.245 0.733 501 HG23 ILE 87 HG23 ILE 87 3.766 -0.509 -0.928 502 HD11 ILE 87 HD11 ILE 87 7.458 1.537 -0.084 503 HD12 ILE 87 HD12 ILE 87 6.327 0.361 0.578 504 HD13 ILE 87 HD13 ILE 87 6.296 2.032 1.148 505 H TYR 88 H TYR 88 1.679 3.941 -0.398 506 HA TYR 88 HA TYR 88 2.811 6.160 -1.984 507 HB2 TYR 88 HB2 TYR 88 -0.097 5.490 -1.402 508 HB3 TYR 88 HB3 TYR 88 0.402 7.117 -1.848 509 HD1 TYR 88 HD2 TYR 88 0.535 3.560 -3.116 510 HD2 TYR 88 HD1 TYR 88 0.480 7.715 -4.130 511 HE1 TYR 88 HE2 TYR 88 0.268 2.987 -5.492 512 HE2 TYR 88 HE1 TYR 88 0.214 7.136 -6.493 513 HH TYR 88 HH TYR 88 -0.577 4.014 -7.559 514 H LYS 89 H LYS 89 2.900 8.124 -0.937 515 HA LYS 89 HA LYS 89 2.202 8.255 1.936 516 HB2 LYS 89 HB2 LYS 89 4.349 9.648 0.299 517 HB3 LYS 89 HB3 LYS 89 3.781 10.348 1.808 518 HG2 LYS 89 HG2 LYS 89 4.346 8.093 2.895 519 HG3 LYS 89 HG3 LYS 89 5.190 7.705 1.395 520 HD2 LYS 89 HD2 LYS 89 6.769 8.545 3.045 521 HD3 LYS 89 HD3 LYS 89 6.637 9.702 1.716 522 HE2 LYS 89 HE2 LYS 89 6.665 10.831 3.925 523 HE3 LYS 89 HE3 LYS 89 5.156 11.120 3.064 524 HZ1 LYS 89 HZ1 LYS 89 5.550 9.133 5.238 525 HZ2 LYS 89 HZ2 LYS 89 4.094 9.432 4.429 526 HZ3 LYS 89 HZ3 LYS 89 4.784 10.634 5.400 527 H LYS 90 H LYS 90 1.058 10.140 2.670 528 HA LYS 90 HA LYS 90 -0.673 11.248 0.609 529 HB2 LYS 90 HB2 LYS 90 -1.499 10.650 2.993 530 HB3 LYS 90 HB3 LYS 90 -0.739 12.151 3.526 531 HG2 LYS 90 HG2 LYS 90 -2.097 13.356 1.762 532 HG3 LYS 90 HG3 LYS 90 -2.947 11.854 1.458 533 HD2 LYS 90 HD2 LYS 90 -3.792 11.874 3.788 534 HD3 LYS 90 HD3 LYS 90 -2.937 13.396 4.078 535 HE2 LYS 90 HE2 LYS 90 -5.206 12.940 2.100 536 HE3 LYS 90 HE3 LYS 90 -5.282 13.873 3.596 537 HZ1 LYS 90 HZ1 LYS 90 -5.056 15.260 1.582 538 HZ2 LYS 90 HZ2 LYS 90 -3.546 14.561 1.282 539 HZ3 LYS 90 HZ3 LYS 90 -3.786 15.484 2.674 540 H LYS 91 H LYS 91 -0.745 13.297 -0.082 541 HA LYS 91 HA LYS 91 1.577 15.033 0.308 542 HB2 LYS 91 HB2 LYS 91 -0.713 15.081 -1.717 543 HB3 LYS 91 HB3 LYS 91 0.645 16.205 -1.709 544 HG2 LYS 91 HG2 LYS 91 2.204 14.421 -2.226 545 HG3 LYS 91 HG3 LYS 91 0.937 13.204 -2.042 546 HD2 LYS 91 HD2 LYS 91 1.416 13.643 -4.413 547 HD3 LYS 91 HD3 LYS 91 -0.240 14.094 -4.008 548 HE2 LYS 91 HE2 LYS 91 0.438 16.474 -3.910 549 HE3 LYS 91 HE3 LYS 91 2.099 16.026 -4.304 550 HZ1 LYS 91 HZ1 LYS 91 -0.284 15.634 -6.036 551 HZ2 LYS 91 HZ2 LYS 91 1.290 15.149 -6.418 552 HZ3 LYS 91 HZ3 LYS 91 0.933 16.790 -6.249 553 H LEU 92 H LEU 92 1.452 16.918 1.340 554 HA LEU 92 HA LEU 92 -1.015 17.836 2.587 555 HB2 LEU 92 HB2 LEU 92 1.440 17.887 3.571 556 HB3 LEU 92 HB3 LEU 92 1.648 19.323 2.595 557 HG LEU 92 HG LEU 92 -0.446 19.016 4.790 558 HD11 LEU 92 HD11 LEU 92 0.963 20.510 6.150 559 HD12 LEU 92 HD12 LEU 92 2.204 20.485 4.896 560 HD13 LEU 92 HD13 LEU 92 1.793 19.002 5.761 561 HD21 LEU 92 HD21 LEU 92 -0.744 21.467 4.639 562 HD22 LEU 92 HD22 LEU 92 -1.162 20.680 3.121 563 HD23 LEU 92 HD23 LEU 92 0.379 21.526 3.275 564 H GLU 93 H GLU 93 -2.387 18.795 1.171 565 HA GLU 93 HA GLU 93 -1.408 21.123 -0.357 566 HB2 GLU 93 HB2 GLU 93 -2.039 18.889 -1.731 567 HB3 GLU 93 HB3 GLU 93 -3.677 19.468 -1.496 568 HG2 GLU 93 HG2 GLU 93 -1.433 20.945 -2.911 569 HG3 GLU 93 HG3 GLU 93 -2.808 20.151 -3.671 570 H HIS 94 H HIS 94 -2.156 22.626 1.038 571 HA HIS 94 HA HIS 94 -4.654 22.404 2.489 572 HB2 HIS 94 HB2 HIS 94 -2.665 23.423 3.559 573 HB3 HIS 94 HB3 HIS 94 -2.630 24.689 2.337 574 HD1 HIS 94 HD1 HIS 94 -4.164 26.696 2.698 575 HD2 HIS 94 HD2 HIS 94 -4.813 23.663 5.452 576 HE1 HIS 94 HE1 HIS 94 -5.734 27.660 4.403 577 HE2 HIS 94 HE2 HIS 94 -5.940 25.871 6.164 578 H HIS 95 H HIS 95 -6.082 22.270 0.644 579 HA HIS 95 HA HIS 95 -6.668 24.834 -0.705 580 HB2 HIS 95 HB2 HIS 95 -6.546 22.854 -2.172 581 HB3 HIS 95 HB3 HIS 95 -7.778 22.043 -1.215 582 HD1 HIS 95 HD1 HIS 95 -9.914 22.039 -2.452 583 HD2 HIS 95 HD2 HIS 95 -7.818 25.581 -3.064 584 HE1 HIS 95 HE1 HIS 95 -11.390 23.454 -3.918 585 HE2 HIS 95 HE2 HIS 95 -10.052 25.536 -4.376 586 H HIS 96 H HIS 96 -8.246 22.282 1.243 587 HA HIS 96 HA HIS 96 -10.108 24.278 2.352 588 HB2 HIS 96 HB2 HIS 96 -11.227 22.973 0.455 589 HB3 HIS 96 HB3 HIS 96 -11.043 21.521 1.425 590 HD1 HIS 96 HD1 HIS 96 -13.594 23.622 0.514 591 HD2 HIS 96 HD2 HIS 96 -12.307 22.368 4.253 592 HE1 HIS 96 HE1 HIS 96 -15.559 23.921 2.036 593 HE2 HIS 96 HE2 HIS 96 -14.678 23.388 4.328 594 H HIS 97 H HIS 97 -8.775 24.239 4.173 595 HA HIS 97 HA HIS 97 -9.573 22.247 6.113 596 HB2 HIS 97 HB2 HIS 97 -7.494 21.216 5.192 597 HB3 HIS 97 HB3 HIS 97 -6.602 22.692 5.538 598 HD1 HIS 97 HD1 HIS 97 -6.062 23.176 8.054 599 HD2 HIS 97 HD2 HIS 97 -7.849 19.492 7.366 600 HE1 HIS 97 HE1 HIS 97 -5.749 21.877 10.169 601 HE2 HIS 97 HE2 HIS 97 -6.649 19.580 9.659 602 H HIS 98 H HIS 98 -10.709 24.184 6.651 603 HA HIS 98 HA HIS 98 -9.706 25.507 8.901 604 HB2 HIS 98 HB2 HIS 98 -8.361 26.894 7.357 605 HB3 HIS 98 HB3 HIS 98 -9.793 27.270 6.407 606 HD1 HIS 98 HD1 HIS 98 -10.212 29.698 6.793 607 HD2 HIS 98 HD2 HIS 98 -9.266 27.720 10.320 608 HE1 HIS 98 HE1 HIS 98 -10.440 31.409 8.610 609 HE2 HIS 98 HE2 HIS 98 -9.662 30.238 10.690 610 H HIS 99 H HIS 99 -11.750 26.286 6.111 611 HA HIS 99 HA HIS 99 -14.243 25.839 7.447 612 HB2 HIS 99 HB2 HIS 99 -13.865 28.022 8.469 613 HB3 HIS 99 HB3 HIS 99 -13.344 28.716 6.939 614 HD1 HIS 99 HD1 HIS 99 -15.065 30.321 6.178 615 HD2 HIS 99 HD2 HIS 99 -16.793 26.947 7.881 616 HE1 HIS 99 HE1 HIS 99 -17.539 30.641 5.936 617 HE2 HIS 99 HE2 HIS 99 -18.557 28.520 6.824 Start of MODEL 7 1 H1 ALA 22 H1 ALA 22 0.571 1.582 8.964 2 H2 ALA 22 H2 ALA 22 -0.234 3.070 8.956 3 H3 ALA 22 H3 ALA 22 1.413 3.000 8.582 4 HA ALA 22 HA ALA 22 0.060 3.293 6.617 5 HB1 ALA 22 HB1 ALA 22 2.213 2.109 6.422 6 HB2 ALA 22 HB2 ALA 22 1.033 1.460 5.285 7 HB3 ALA 22 HB3 ALA 22 1.412 0.573 6.763 8 H GLU 23 H GLU 23 -1.839 2.875 5.590 9 HA GLU 23 HA GLU 23 -3.636 0.783 6.687 10 HB2 GLU 23 HB2 GLU 23 -5.469 2.124 5.671 11 HB3 GLU 23 HB3 GLU 23 -4.511 3.069 6.808 12 HG2 GLU 23 HG2 GLU 23 -3.289 4.106 4.914 13 HG3 GLU 23 HG3 GLU 23 -4.273 3.179 3.782 14 H ILE 24 H ILE 24 -4.987 -0.418 5.152 15 HA ILE 24 HA ILE 24 -3.661 -0.894 2.538 16 HB ILE 24 HB ILE 24 -5.543 -2.695 4.148 17 HG12 ILE 24 HG12 ILE 24 -3.167 -2.558 4.997 18 HG13 ILE 24 HG13 ILE 24 -3.649 -4.169 4.491 19 HG21 ILE 24 HG21 ILE 24 -4.254 -3.236 1.441 20 HG22 ILE 24 HG22 ILE 24 -5.973 -2.998 1.754 21 HG23 ILE 24 HG23 ILE 24 -5.154 -4.414 2.402 22 HD11 ILE 24 HD11 ILE 24 -1.931 -2.269 2.899 23 HD12 ILE 24 HD12 ILE 24 -2.390 -3.902 2.416 24 HD13 ILE 24 HD13 ILE 24 -1.369 -3.655 3.830 25 H MET 25 H MET 25 -4.669 -0.028 0.824 26 HA MET 25 HA MET 25 -7.590 -0.436 0.565 27 HB2 MET 25 HB2 MET 25 -6.087 2.030 -0.459 28 HB3 MET 25 HB3 MET 25 -7.738 1.612 -0.902 29 HG2 MET 25 HG2 MET 25 -8.291 1.745 1.591 30 HG3 MET 25 HG3 MET 25 -6.715 2.499 1.800 31 HE1 MET 25 HE1 MET 25 -7.202 5.773 -0.416 32 HE2 MET 25 HE2 MET 25 -6.554 4.231 -0.979 33 HE3 MET 25 HE3 MET 25 -6.065 4.881 0.590 34 H LYS 26 H LYS 26 -8.229 -1.230 -1.446 35 HA LYS 26 HA LYS 26 -6.238 -2.513 -3.077 36 HB2 LYS 26 HB2 LYS 26 -8.656 -3.286 -2.518 37 HB3 LYS 26 HB3 LYS 26 -9.182 -2.198 -3.777 38 HG2 LYS 26 HG2 LYS 26 -7.039 -4.127 -4.543 39 HG3 LYS 26 HG3 LYS 26 -8.595 -4.840 -4.155 40 HD2 LYS 26 HD2 LYS 26 -8.119 -2.702 -6.269 41 HD3 LYS 26 HD3 LYS 26 -8.329 -4.427 -6.584 42 HE2 LYS 26 HE2 LYS 26 -10.391 -2.524 -5.429 43 HE3 LYS 26 HE3 LYS 26 -10.436 -3.298 -7.012 44 HZ1 LYS 26 HZ1 LYS 26 -10.630 -4.673 -4.388 45 HZ2 LYS 26 HZ2 LYS 26 -10.631 -5.440 -5.886 46 HZ3 LYS 26 HZ3 LYS 26 -11.899 -4.405 -5.471 47 H LYS 27 H LYS 27 -6.062 -2.167 -5.415 48 HA LYS 27 HA LYS 27 -5.142 0.323 -6.070 49 HB2 LYS 27 HB2 LYS 27 -4.607 -1.838 -7.228 50 HB3 LYS 27 HB3 LYS 27 -6.175 -1.774 -8.025 51 HG2 LYS 27 HG2 LYS 27 -4.389 -1.065 -9.536 52 HG3 LYS 27 HG3 LYS 27 -5.494 0.276 -9.222 53 HD2 LYS 27 HD2 LYS 27 -3.876 1.245 -7.615 54 HD3 LYS 27 HD3 LYS 27 -2.784 -0.120 -7.870 55 HE2 LYS 27 HE2 LYS 27 -2.102 1.920 -9.130 56 HE3 LYS 27 HE3 LYS 27 -2.431 0.551 -10.190 57 HZ1 LYS 27 HZ1 LYS 27 -4.306 2.772 -9.620 58 HZ2 LYS 27 HZ2 LYS 27 -4.593 1.478 -10.659 59 HZ3 LYS 27 HZ3 LYS 27 -3.388 2.600 -11.027 60 H THR 28 H THR 28 -8.334 -1.019 -6.922 61 HA THR 28 HA THR 28 -9.205 1.142 -8.551 62 HB THR 28 HB THR 28 -10.946 -0.869 -7.063 63 HG1 THR 28 HG1 THR 28 -9.593 -1.049 -9.570 64 HG21 THR 28 HG21 THR 28 -12.544 -0.545 -8.933 65 HG22 THR 28 HG22 THR 28 -11.494 0.697 -9.621 66 HG23 THR 28 HG23 THR 28 -12.271 0.966 -8.060 67 H ASP 29 H ASP 29 -9.808 0.322 -5.127 68 HA ASP 29 HA ASP 29 -11.561 2.450 -4.465 69 HB2 ASP 29 HB2 ASP 29 -9.630 0.901 -2.679 70 HB3 ASP 29 HB3 ASP 29 -10.926 1.935 -2.088 71 H PHE 30 H PHE 30 -8.096 2.149 -4.569 72 HA PHE 30 HA PHE 30 -7.452 4.533 -3.139 73 HB2 PHE 30 HB2 PHE 30 -5.853 2.716 -3.178 74 HB3 PHE 30 HB3 PHE 30 -5.809 2.706 -4.940 75 HD1 PHE 30 HD1 PHE 30 -4.960 4.772 -1.952 76 HD2 PHE 30 HD2 PHE 30 -4.272 4.122 -6.123 77 HE1 PHE 30 HE1 PHE 30 -3.152 6.414 -1.918 78 HE2 PHE 30 HE2 PHE 30 -2.454 5.774 -6.070 79 HZ PHE 30 HZ PHE 30 -1.904 6.913 -3.966 80 H ASP 31 H ASP 31 -7.721 3.680 -6.604 81 HA ASP 31 HA ASP 31 -6.475 5.898 -7.745 82 HB2 ASP 31 HB2 ASP 31 -8.688 4.113 -8.801 83 HB3 ASP 31 HB3 ASP 31 -8.024 5.413 -9.786 84 H LYS 32 H LYS 32 -9.692 5.597 -6.498 85 HA LYS 32 HA LYS 32 -10.960 7.871 -7.562 86 HB2 LYS 32 HB2 LYS 32 -11.411 6.635 -4.814 87 HB3 LYS 32 HB3 LYS 32 -12.579 7.559 -5.755 88 HG2 LYS 32 HG2 LYS 32 -12.673 5.764 -7.437 89 HG3 LYS 32 HG3 LYS 32 -11.443 4.859 -6.556 90 HD2 LYS 32 HD2 LYS 32 -13.038 4.728 -4.600 91 HD3 LYS 32 HD3 LYS 32 -14.270 5.484 -5.617 92 HE2 LYS 32 HE2 LYS 32 -12.908 2.810 -6.115 93 HE3 LYS 32 HE3 LYS 32 -14.580 3.059 -5.616 94 HZ1 LYS 32 HZ1 LYS 32 -13.371 3.822 -8.220 95 HZ2 LYS 32 HZ2 LYS 32 -14.935 4.234 -7.743 96 HZ3 LYS 32 HZ3 LYS 32 -14.521 2.611 -7.949 97 H VAL 33 H VAL 33 -8.691 7.528 -4.886 98 HA VAL 33 HA VAL 33 -8.702 10.468 -4.401 99 HB VAL 33 HB VAL 33 -7.936 9.964 -2.057 100 HG11 VAL 33 HG11 VAL 33 -10.644 8.753 -2.737 101 HG12 VAL 33 HG12 VAL 33 -10.315 10.462 -2.442 102 HG13 VAL 33 HG13 VAL 33 -10.128 9.293 -1.135 103 HG21 VAL 33 HG21 VAL 33 -8.604 7.064 -2.726 104 HG22 VAL 33 HG22 VAL 33 -8.200 7.678 -1.120 105 HG23 VAL 33 HG23 VAL 33 -6.992 7.709 -2.404 106 H ALA 34 H ALA 34 -7.043 8.620 -6.264 107 HA ALA 34 HA ALA 34 -4.443 8.238 -5.211 108 HB1 ALA 34 HB1 ALA 34 -3.705 7.943 -7.537 109 HB2 ALA 34 HB2 ALA 34 -5.220 8.640 -8.118 110 HB3 ALA 34 HB3 ALA 34 -5.231 7.108 -7.244 111 H SER 35 H SER 35 -5.900 11.046 -6.696 112 HA SER 35 HA SER 35 -3.572 12.587 -7.232 113 HB2 SER 35 HB2 SER 35 -5.280 14.491 -7.365 114 HB3 SER 35 HB3 SER 35 -5.607 13.101 -8.404 115 HG SER 35 HG SER 35 -7.387 12.767 -7.350 116 H GLU 36 H GLU 36 -4.999 11.766 -4.244 117 HA GLU 36 HA GLU 36 -4.158 14.135 -2.755 118 HB2 GLU 36 HB2 GLU 36 -5.116 11.419 -1.753 119 HB3 GLU 36 HB3 GLU 36 -4.983 12.879 -0.788 120 HG2 GLU 36 HG2 GLU 36 -6.867 12.526 -3.131 121 HG3 GLU 36 HG3 GLU 36 -7.317 12.269 -1.452 122 H TYR 37 H TYR 37 -2.497 11.538 -4.115 123 HA TYR 37 HA TYR 37 -0.554 11.259 -1.878 124 HB2 TYR 37 HB2 TYR 37 -1.761 8.987 -3.527 125 HB3 TYR 37 HB3 TYR 37 -0.476 8.803 -2.330 126 HD1 TYR 37 HD1 TYR 37 -0.979 9.482 0.096 127 HD2 TYR 37 HD2 TYR 37 -4.071 8.958 -2.798 128 HE1 TYR 37 HE1 TYR 37 -2.627 9.364 1.890 129 HE2 TYR 37 HE2 TYR 37 -5.726 8.797 -0.985 130 HH TYR 37 HH TYR 37 -5.786 8.230 1.425 131 H THR 38 H THR 38 1.396 9.865 -2.652 132 HA THR 38 HA THR 38 2.269 10.455 -5.392 133 HB THR 38 HB THR 38 2.985 12.411 -4.002 134 HG1 THR 38 HG1 THR 38 4.253 11.641 -5.811 135 HG21 THR 38 HG21 THR 38 3.326 11.340 -1.817 136 HG22 THR 38 HG22 THR 38 4.772 12.207 -2.330 137 HG23 THR 38 HG23 THR 38 4.713 10.448 -2.454 138 H LYS 39 H LYS 39 3.496 8.805 -6.232 139 HA LYS 39 HA LYS 39 3.675 6.335 -4.707 140 HB2 LYS 39 HB2 LYS 39 2.962 6.605 -7.175 141 HB3 LYS 39 HB3 LYS 39 4.660 6.810 -7.562 142 HG2 LYS 39 HG2 LYS 39 3.696 4.334 -6.112 143 HG3 LYS 39 HG3 LYS 39 3.525 4.479 -7.858 144 HD2 LYS 39 HD2 LYS 39 6.006 4.803 -8.033 145 HD3 LYS 39 HD3 LYS 39 6.130 4.540 -6.290 146 HE2 LYS 39 HE2 LYS 39 6.668 2.498 -7.561 147 HE3 LYS 39 HE3 LYS 39 5.243 2.266 -6.550 148 HZ1 LYS 39 HZ1 LYS 39 5.284 2.745 -9.478 149 HZ2 LYS 39 HZ2 LYS 39 3.882 2.657 -8.538 150 HZ3 LYS 39 HZ3 LYS 39 4.880 1.305 -8.683 151 H ILE 40 H ILE 40 5.399 5.838 -3.450 152 HA ILE 40 HA ILE 40 7.986 7.198 -3.991 153 HB ILE 40 HB ILE 40 8.574 6.857 -1.648 154 HG12 ILE 40 HG12 ILE 40 5.804 5.632 -1.202 155 HG13 ILE 40 HG13 ILE 40 7.269 4.669 -1.358 156 HG21 ILE 40 HG21 ILE 40 6.897 8.364 -0.599 157 HG22 ILE 40 HG22 ILE 40 5.795 8.078 -1.947 158 HG23 ILE 40 HG23 ILE 40 7.331 8.901 -2.225 159 HD11 ILE 40 HD11 ILE 40 6.730 6.710 0.789 160 HD12 ILE 40 HD12 ILE 40 8.179 5.711 0.646 161 HD13 ILE 40 HD13 ILE 40 6.616 4.959 0.954 162 H GLY 41 H GLY 41 6.492 4.072 -3.915 163 HA2 GLY 41 HA2 GLY 41 8.605 2.725 -5.173 164 HA3 GLY 41 HA3 GLY 41 8.734 2.406 -3.443 165 H THR 42 H THR 42 8.404 0.190 -4.682 166 HA THR 42 HA THR 42 5.587 -0.561 -4.131 167 HB THR 42 HB THR 42 7.251 -1.777 -6.403 168 HG1 THR 42 HG1 THR 42 4.913 -0.318 -6.891 169 HG21 THR 42 HG21 THR 42 5.582 -3.360 -5.435 170 HG22 THR 42 HG22 THR 42 5.120 -2.875 -7.067 171 HG23 THR 42 HG23 THR 42 4.305 -2.162 -5.674 172 H ILE 43 H ILE 43 5.424 -2.240 -2.741 173 HA ILE 43 HA ILE 43 7.824 -3.890 -2.121 174 HB ILE 43 HB ILE 43 6.871 -4.255 0.143 175 HG12 ILE 43 HG12 ILE 43 4.733 -2.218 -0.653 176 HG13 ILE 43 HG13 ILE 43 4.454 -3.935 -0.395 177 HG21 ILE 43 HG21 ILE 43 7.185 -1.299 -0.517 178 HG22 ILE 43 HG22 ILE 43 8.498 -2.429 -0.179 179 HG23 ILE 43 HG23 ILE 43 7.343 -2.020 1.089 180 HD11 ILE 43 HD11 ILE 43 3.701 -2.657 1.500 181 HD12 ILE 43 HD12 ILE 43 5.294 -1.929 1.691 182 HD13 ILE 43 HD13 ILE 43 5.074 -3.659 1.973 183 H SER 44 H SER 44 7.267 -6.120 -1.350 184 HA SER 44 HA SER 44 4.728 -7.253 -2.224 185 HB2 SER 44 HB2 SER 44 6.107 -7.235 -4.310 186 HB3 SER 44 HB3 SER 44 7.357 -8.170 -3.492 187 HG SER 44 HG SER 44 4.674 -9.011 -4.000 188 H THR 45 H THR 45 4.282 -9.235 -1.273 189 HA THR 45 HA THR 45 5.750 -10.028 1.065 190 HB THR 45 HB THR 45 4.049 -11.824 1.260 191 HG1 THR 45 HG1 THR 45 3.738 -12.346 -0.928 192 HG21 THR 45 HG21 THR 45 2.007 -10.450 1.413 193 HG22 THR 45 HG22 THR 45 2.777 -9.178 0.465 194 HG23 THR 45 HG23 THR 45 3.394 -9.580 2.071 195 H THR 46 H THR 46 6.396 -12.373 1.356 196 HA THR 46 HA THR 46 8.411 -13.155 -0.415 197 HB THR 46 HB THR 46 6.947 -14.884 1.630 198 HG1 THR 46 HG1 THR 46 9.167 -13.103 1.851 199 HG21 THR 46 HG21 THR 46 9.755 -15.168 0.476 200 HG22 THR 46 HG22 THR 46 8.394 -16.245 0.150 201 HG23 THR 46 HG23 THR 46 9.078 -16.149 1.774 202 H GLY 47 H GLY 47 5.093 -14.408 -0.052 203 HA2 GLY 47 HA2 GLY 47 4.926 -15.149 -2.840 204 HA3 GLY 47 HA3 GLY 47 4.962 -16.537 -1.753 205 H GLU 48 H GLU 48 2.812 -16.923 -2.721 206 HA GLU 48 HA GLU 48 0.607 -15.215 -2.152 207 HB2 GLU 48 HB2 GLU 48 -0.814 -17.218 -2.708 208 HB3 GLU 48 HB3 GLU 48 0.340 -16.770 -3.954 209 HG2 GLU 48 HG2 GLU 48 1.755 -18.638 -3.450 210 HG3 GLU 48 HG3 GLU 48 0.866 -18.990 -1.968 211 H MET 49 H MET 49 -0.154 -14.762 -0.220 212 HA MET 49 HA MET 49 -0.358 -16.837 1.885 213 HB2 MET 49 HB2 MET 49 0.404 -13.904 2.327 214 HB3 MET 49 HB3 MET 49 0.124 -15.084 3.599 215 HG2 MET 49 HG2 MET 49 2.047 -16.426 2.614 216 HG3 MET 49 HG3 MET 49 2.404 -15.024 1.614 217 HE1 MET 49 HE1 MET 49 1.753 -12.604 3.767 218 HE2 MET 49 HE2 MET 49 3.141 -12.625 2.678 219 HE3 MET 49 HE3 MET 49 3.380 -12.365 4.404 220 H SER 50 H SER 50 -2.022 -16.173 3.562 221 HA SER 50 HA SER 50 -4.552 -15.744 2.423 222 HB2 SER 50 HB2 SER 50 -3.672 -15.453 5.329 223 HB3 SER 50 HB3 SER 50 -5.342 -15.597 4.786 224 HG SER 50 HG SER 50 -4.618 -17.646 3.803 225 HA PRO 51 HA PRO 51 -4.969 -11.426 1.497 226 HB2 PRO 51 HB2 PRO 51 -7.431 -10.857 2.905 227 HB3 PRO 51 HB3 PRO 51 -7.238 -11.308 1.202 228 HG2 PRO 51 HG2 PRO 51 -7.897 -13.036 3.536 229 HG3 PRO 51 HG3 PRO 51 -8.423 -13.171 1.842 230 HD2 PRO 51 HD2 PRO 51 -6.603 -14.851 2.814 231 HD3 PRO 51 HD3 PRO 51 -6.425 -14.204 1.167 232 H LEU 52 H LEU 52 -6.226 -11.713 4.857 233 HA LEU 52 HA LEU 52 -5.368 -9.085 5.586 234 HB2 LEU 52 HB2 LEU 52 -6.400 -11.412 7.263 235 HB3 LEU 52 HB3 LEU 52 -5.990 -9.858 7.953 236 HG LEU 52 HG LEU 52 -8.378 -9.951 7.728 237 HD11 LEU 52 HD11 LEU 52 -8.876 -8.015 6.328 238 HD12 LEU 52 HD12 LEU 52 -7.304 -8.162 5.535 239 HD13 LEU 52 HD13 LEU 52 -7.397 -7.775 7.255 240 HD21 LEU 52 HD21 LEU 52 -8.048 -10.608 4.782 241 HD22 LEU 52 HD22 LEU 52 -9.574 -10.337 5.631 242 HD23 LEU 52 HD23 LEU 52 -8.572 -11.724 6.046 243 H ASP 53 H ASP 53 -3.927 -12.285 5.888 244 HA ASP 53 HA ASP 53 -1.868 -11.734 7.765 245 HB2 ASP 53 HB2 ASP 53 -2.557 -14.020 7.176 246 HB3 ASP 53 HB3 ASP 53 -2.034 -13.790 5.515 247 H ALA 54 H ALA 54 -1.882 -11.723 4.221 248 HA ALA 54 HA ALA 54 0.790 -10.848 3.796 249 HB1 ALA 54 HB1 ALA 54 -0.508 -12.055 2.081 250 HB2 ALA 54 HB2 ALA 54 0.059 -10.505 1.457 251 HB3 ALA 54 HB3 ALA 54 -1.626 -10.697 1.945 252 H ARG 55 H ARG 55 -2.302 -9.222 4.170 253 HA ARG 55 HA ARG 55 -1.530 -6.605 3.447 254 HB2 ARG 55 HB2 ARG 55 -3.817 -7.723 5.099 255 HB3 ARG 55 HB3 ARG 55 -3.612 -5.984 4.904 256 HG2 ARG 55 HG2 ARG 55 -3.933 -6.110 2.523 257 HG3 ARG 55 HG3 ARG 55 -3.807 -7.871 2.529 258 HD2 ARG 55 HD2 ARG 55 -6.143 -7.065 2.242 259 HD3 ARG 55 HD3 ARG 55 -5.943 -8.069 3.682 260 HE ARG 55 HE ARG 55 -5.688 -5.672 4.777 261 HH11 ARG 55 HH11 ARG 55 -8.054 -6.654 2.379 262 HH12 ARG 55 HH12 ARG 55 -9.243 -5.525 2.930 263 HH21 ARG 55 HH21 ARG 55 -7.273 -4.229 5.501 264 HH22 ARG 55 HH22 ARG 55 -8.809 -4.157 4.690 265 H GLU 56 H GLU 56 -1.475 -8.309 6.597 266 HA GLU 56 HA GLU 56 -0.572 -6.151 8.213 267 HB2 GLU 56 HB2 GLU 56 -0.203 -9.169 8.495 268 HB3 GLU 56 HB3 GLU 56 0.304 -8.017 9.730 269 HG2 GLU 56 HG2 GLU 56 -1.996 -7.260 10.026 270 HG3 GLU 56 HG3 GLU 56 -2.538 -8.319 8.730 271 H ASP 57 H ASP 57 1.176 -8.563 6.292 272 HA ASP 57 HA ASP 57 3.835 -7.992 6.981 273 HB2 ASP 57 HB2 ASP 57 3.133 -9.947 5.615 274 HB3 ASP 57 HB3 ASP 57 2.660 -8.881 4.303 275 H LEU 58 H LEU 58 1.848 -6.747 4.343 276 HA LEU 58 HA LEU 58 3.733 -4.896 3.320 277 HB2 LEU 58 HB2 LEU 58 0.725 -5.037 2.915 278 HB3 LEU 58 HB3 LEU 58 1.838 -4.101 1.929 279 HG LEU 58 HG LEU 58 1.882 -7.139 2.174 280 HD11 LEU 58 HD11 LEU 58 1.028 -7.211 -0.118 281 HD12 LEU 58 HD12 LEU 58 0.854 -5.454 -0.117 282 HD13 LEU 58 HD13 LEU 58 -0.112 -6.440 0.983 283 HD21 LEU 58 HD21 LEU 58 3.483 -5.365 0.300 284 HD22 LEU 58 HD22 LEU 58 3.487 -7.130 0.321 285 HD23 LEU 58 HD23 LEU 58 4.120 -6.234 1.699 286 H ILE 59 H ILE 59 1.080 -4.521 5.675 287 HA ILE 59 HA ILE 59 1.091 -1.707 5.984 288 HB ILE 59 HB ILE 59 0.421 -3.931 7.976 289 HG12 ILE 59 HG12 ILE 59 -1.407 -1.863 6.680 290 HG13 ILE 59 HG13 ILE 59 -1.162 -3.486 6.052 291 HG21 ILE 59 HG21 ILE 59 -0.515 -2.218 9.532 292 HG22 ILE 59 HG22 ILE 59 0.167 -0.941 8.522 293 HG23 ILE 59 HG23 ILE 59 1.233 -2.071 9.358 294 HD11 ILE 59 HD11 ILE 59 -2.389 -2.775 8.715 295 HD12 ILE 59 HD12 ILE 59 -2.114 -4.415 8.122 296 HD13 ILE 59 HD13 ILE 59 -3.233 -3.346 7.277 297 H LYS 60 H LYS 60 2.900 -4.262 7.701 298 HA LYS 60 HA LYS 60 4.227 -2.612 9.551 299 HB2 LYS 60 HB2 LYS 60 3.970 -5.105 9.716 300 HB3 LYS 60 HB3 LYS 60 5.162 -5.293 8.433 301 HG2 LYS 60 HG2 LYS 60 6.876 -4.239 9.874 302 HG3 LYS 60 HG3 LYS 60 5.674 -4.033 11.151 303 HD2 LYS 60 HD2 LYS 60 5.414 -6.526 11.264 304 HD3 LYS 60 HD3 LYS 60 6.690 -6.685 10.048 305 HE2 LYS 60 HE2 LYS 60 7.002 -5.436 12.803 306 HE3 LYS 60 HE3 LYS 60 7.583 -7.026 12.315 307 HZ1 LYS 60 HZ1 LYS 60 9.123 -6.021 10.822 308 HZ2 LYS 60 HZ2 LYS 60 9.302 -5.266 12.321 309 HZ3 LYS 60 HZ3 LYS 60 8.476 -4.484 11.073 310 H LYS 61 H LYS 61 5.400 -4.014 6.482 311 HA LYS 61 HA LYS 61 7.979 -2.859 6.533 312 HB2 LYS 61 HB2 LYS 61 6.292 -3.931 4.237 313 HB3 LYS 61 HB3 LYS 61 7.980 -3.453 4.047 314 HG2 LYS 61 HG2 LYS 61 8.704 -5.165 5.625 315 HG3 LYS 61 HG3 LYS 61 7.030 -5.579 6.003 316 HD2 LYS 61 HD2 LYS 61 6.688 -6.423 3.724 317 HD3 LYS 61 HD3 LYS 61 8.328 -5.941 3.269 318 HE2 LYS 61 HE2 LYS 61 9.305 -7.582 4.751 319 HE3 LYS 61 HE3 LYS 61 7.740 -7.931 5.493 320 HZ1 LYS 61 HZ1 LYS 61 6.987 -8.809 3.367 321 HZ2 LYS 61 HZ2 LYS 61 8.320 -9.642 3.965 322 HZ3 LYS 61 HZ3 LYS 61 8.518 -8.539 2.699 323 H ALA 62 H ALA 62 4.961 -1.719 4.949 324 HA ALA 62 HA ALA 62 6.169 0.531 3.643 325 HB1 ALA 62 HB1 ALA 62 4.056 -0.453 2.871 326 HB2 ALA 62 HB2 ALA 62 3.881 1.273 3.188 327 HB3 ALA 62 HB3 ALA 62 3.250 0.094 4.341 328 H ASP 63 H ASP 63 4.637 0.078 6.797 329 HA ASP 63 HA ASP 63 4.361 2.825 7.499 330 HB2 ASP 63 HB2 ASP 63 3.150 0.936 8.638 331 HB3 ASP 63 HB3 ASP 63 4.666 0.427 9.369 332 H GLU 64 H GLU 64 6.853 0.364 8.198 333 HA GLU 64 HA GLU 64 8.655 2.114 9.558 334 HB2 GLU 64 HB2 GLU 64 9.150 -0.526 8.135 335 HB3 GLU 64 HB3 GLU 64 10.313 0.273 9.190 336 HG2 GLU 64 HG2 GLU 64 8.751 0.053 11.089 337 HG3 GLU 64 HG3 GLU 64 7.576 -0.729 10.034 338 H LYS 65 H LYS 65 8.144 1.396 6.128 339 HA LYS 65 HA LYS 65 10.408 2.955 5.210 340 HB2 LYS 65 HB2 LYS 65 7.972 1.794 3.820 341 HB3 LYS 65 HB3 LYS 65 9.077 2.866 2.967 342 HG2 LYS 65 HG2 LYS 65 10.949 1.302 3.434 343 HG3 LYS 65 HG3 LYS 65 9.816 0.206 4.234 344 HD2 LYS 65 HD2 LYS 65 8.594 -0.144 2.147 345 HD3 LYS 65 HD3 LYS 65 9.560 1.089 1.330 346 HE2 LYS 65 HE2 LYS 65 10.288 -1.158 0.691 347 HE3 LYS 65 HE3 LYS 65 11.572 -0.322 1.563 348 HZ1 LYS 65 HZ1 LYS 65 11.005 -1.555 3.532 349 HZ2 LYS 65 HZ2 LYS 65 11.320 -2.617 2.256 350 HZ3 LYS 65 HZ3 LYS 65 9.729 -2.322 2.736 351 H GLY 66 H GLY 66 7.446 3.867 6.602 352 HA2 GLY 66 HA2 GLY 66 6.858 6.053 7.183 353 HA3 GLY 66 HA3 GLY 66 7.928 6.684 5.944 354 H ALA 67 H ALA 67 6.138 4.337 4.444 355 HA ALA 67 HA ALA 67 4.645 6.165 2.861 356 HB1 ALA 67 HB1 ALA 67 3.763 4.154 1.748 357 HB2 ALA 67 HB2 ALA 67 4.432 3.141 3.034 358 HB3 ALA 67 HB3 ALA 67 5.511 4.051 1.977 359 H ASP 68 H ASP 68 2.530 6.769 2.920 360 HA ASP 68 HA ASP 68 1.145 6.486 5.446 361 HB2 ASP 68 HB2 ASP 68 0.500 8.017 2.891 362 HB3 ASP 68 HB3 ASP 68 -0.574 8.006 4.284 363 H VAL 69 H VAL 69 0.470 5.590 2.028 364 HA VAL 69 HA VAL 69 -1.630 3.708 2.991 365 HB VAL 69 HB VAL 69 -1.732 5.374 0.422 366 HG11 VAL 69 HG11 VAL 69 -4.011 4.419 0.097 367 HG12 VAL 69 HG12 VAL 69 -3.766 3.357 1.486 368 HG13 VAL 69 HG13 VAL 69 -2.768 3.169 0.042 369 HG21 VAL 69 HG21 VAL 69 -3.681 6.500 1.451 370 HG22 VAL 69 HG22 VAL 69 -2.224 6.733 2.416 371 HG23 VAL 69 HG23 VAL 69 -3.445 5.570 2.933 372 H VAL 70 H VAL 70 -1.555 1.721 2.243 373 HA VAL 70 HA VAL 70 0.499 0.858 0.304 374 HB VAL 70 HB VAL 70 -1.077 -0.985 2.164 375 HG11 VAL 70 HG11 VAL 70 1.649 -1.298 0.854 376 HG12 VAL 70 HG12 VAL 70 0.151 -2.078 0.346 377 HG13 VAL 70 HG13 VAL 70 0.868 -2.484 1.902 378 HG21 VAL 70 HG21 VAL 70 1.514 0.415 2.904 379 HG22 VAL 70 HG22 VAL 70 0.760 -0.891 3.819 380 HG23 VAL 70 HG23 VAL 70 -0.063 0.662 3.657 381 H VAL 71 H VAL 71 -0.223 0.212 -1.654 382 HA VAL 71 HA VAL 71 -3.157 0.117 -2.124 383 HB VAL 71 HB VAL 71 -0.935 0.994 -4.027 384 HG11 VAL 71 HG11 VAL 71 -2.770 1.908 -5.427 385 HG12 VAL 71 HG12 VAL 71 -3.956 1.205 -4.323 386 HG13 VAL 71 HG13 VAL 71 -2.885 0.155 -5.252 387 HG21 VAL 71 HG21 VAL 71 -1.103 2.547 -2.139 388 HG22 VAL 71 HG22 VAL 71 -2.843 2.706 -2.392 389 HG23 VAL 71 HG23 VAL 71 -1.717 3.306 -3.612 390 H LEU 72 H LEU 72 -3.692 -2.000 -2.260 391 HA LEU 72 HA LEU 72 -1.970 -4.069 -3.188 392 HB2 LEU 72 HB2 LEU 72 -4.991 -4.146 -2.831 393 HB3 LEU 72 HB3 LEU 72 -3.966 -5.547 -3.102 394 HG LEU 72 HG LEU 72 -4.021 -3.774 -0.634 395 HD11 LEU 72 HD11 LEU 72 -4.689 -5.817 0.534 396 HD12 LEU 72 HD12 LEU 72 -4.647 -6.722 -0.982 397 HD13 LEU 72 HD13 LEU 72 -5.825 -5.425 -0.755 398 HD21 LEU 72 HD21 LEU 72 -2.274 -5.242 0.329 399 HD22 LEU 72 HD22 LEU 72 -1.682 -4.325 -1.050 400 HD23 LEU 72 HD23 LEU 72 -2.079 -6.034 -1.240 401 H THR 73 H THR 73 -1.248 -3.604 -5.238 402 HA THR 73 HA THR 73 -2.988 -3.372 -7.519 403 HB THR 73 HB THR 73 -0.767 -2.387 -7.654 404 HG1 THR 73 HG1 THR 73 0.009 -3.686 -9.582 405 HG21 THR 73 HG21 THR 73 0.471 -3.913 -6.145 406 HG22 THR 73 HG22 THR 73 1.305 -3.715 -7.685 407 HG23 THR 73 HG23 THR 73 0.388 -5.187 -7.365 408 H SER 74 H SER 74 -1.454 -6.011 -5.747 409 HA SER 74 HA SER 74 -2.260 -8.106 -7.577 410 HB2 SER 74 HB2 SER 74 -1.249 -8.212 -4.696 411 HB3 SER 74 HB3 SER 74 -1.559 -9.639 -5.690 412 HG SER 74 HG SER 74 -0.000 -7.945 -7.058 413 H GLY 75 H GLY 75 -3.799 -9.792 -7.000 414 HA2 GLY 75 HA2 GLY 75 -6.268 -8.729 -5.870 415 HA3 GLY 75 HA3 GLY 75 -6.053 -10.269 -6.684 416 H GLN 76 H GLN 76 -6.428 -8.767 -3.678 417 HA GLN 76 HA GLN 76 -5.034 -10.516 -1.922 418 HB2 GLN 76 HB2 GLN 76 -6.240 -9.431 -0.122 419 HB3 GLN 76 HB3 GLN 76 -5.831 -8.210 -1.321 420 HG2 GLN 76 HG2 GLN 76 -8.141 -8.289 -2.203 421 HG3 GLN 76 HG3 GLN 76 -8.555 -9.514 -1.004 422 HE21 GLN 76 HE21 GLN 76 -7.888 -6.147 -1.541 423 HE22 GLN 76 HE22 GLN 76 -8.408 -5.582 0.006 424 H THR 77 H THR 77 -7.649 -11.192 -3.845 425 HA THR 77 HA THR 77 -9.527 -12.552 -2.357 426 HB THR 77 HB THR 77 -9.790 -11.858 -4.723 427 HG1 THR 77 HG1 THR 77 -10.915 -13.816 -3.635 428 HG21 THR 77 HG21 THR 77 -8.895 -13.222 -6.560 429 HG22 THR 77 HG22 THR 77 -8.041 -14.250 -5.411 430 HG23 THR 77 HG23 THR 77 -7.569 -12.558 -5.598 431 H GLU 78 H GLU 78 -6.291 -13.553 -2.857 432 HA GLU 78 HA GLU 78 -5.086 -15.170 -1.882 433 HB2 GLU 78 HB2 GLU 78 -6.795 -15.368 -0.093 434 HB3 GLU 78 HB3 GLU 78 -7.691 -16.517 -1.076 435 HG2 GLU 78 HG2 GLU 78 -5.733 -18.069 -0.965 436 HG3 GLU 78 HG3 GLU 78 -4.924 -16.922 0.106 437 H ASN 79 H ASN 79 -7.842 -16.313 -3.764 438 HA ASN 79 HA ASN 79 -6.990 -18.669 -4.875 439 HB2 ASN 79 HB2 ASN 79 -9.245 -17.677 -5.163 440 HB3 ASN 79 HB3 ASN 79 -8.568 -16.394 -6.161 441 HD21 ASN 79 HD21 ASN 79 -7.993 -16.865 -8.315 442 HD22 ASN 79 HD22 ASN 79 -8.483 -18.323 -9.100 443 H LYS 80 H LYS 80 -6.136 -15.365 -5.797 444 HA LYS 80 HA LYS 80 -3.710 -16.274 -7.094 445 HB2 LYS 80 HB2 LYS 80 -5.382 -16.262 -8.948 446 HB3 LYS 80 HB3 LYS 80 -5.729 -14.565 -8.628 447 HG2 LYS 80 HG2 LYS 80 -3.476 -13.926 -9.295 448 HG3 LYS 80 HG3 LYS 80 -3.002 -15.621 -9.445 449 HD2 LYS 80 HD2 LYS 80 -4.623 -15.908 -11.306 450 HD3 LYS 80 HD3 LYS 80 -5.086 -14.210 -11.161 451 HE2 LYS 80 HE2 LYS 80 -3.494 -14.633 -13.027 452 HE3 LYS 80 HE3 LYS 80 -2.858 -13.496 -11.841 453 HZ1 LYS 80 HZ1 LYS 80 -1.526 -15.250 -10.906 454 HZ2 LYS 80 HZ2 LYS 80 -1.218 -15.116 -12.562 455 HZ3 LYS 80 HZ3 LYS 80 -2.175 -16.379 -11.986 456 H ILE 81 H ILE 81 -2.836 -15.339 -5.229 457 HA ILE 81 HA ILE 81 -2.656 -12.390 -5.238 458 HB ILE 81 HB ILE 81 -3.940 -13.138 -3.251 459 HG12 ILE 81 HG12 ILE 81 -1.147 -12.162 -2.501 460 HG13 ILE 81 HG13 ILE 81 -2.469 -11.145 -3.053 461 HG21 ILE 81 HG21 ILE 81 -2.966 -14.546 -1.481 462 HG22 ILE 81 HG22 ILE 81 -1.509 -14.780 -2.446 463 HG23 ILE 81 HG23 ILE 81 -3.050 -15.427 -3.008 464 HD11 ILE 81 HD11 ILE 81 -2.396 -12.718 -0.475 465 HD12 ILE 81 HD12 ILE 81 -3.739 -11.712 -1.023 466 HD13 ILE 81 HD13 ILE 81 -2.179 -10.978 -0.654 467 H HIS 82 H HIS 82 -0.572 -11.648 -5.466 468 HA HIS 82 HA HIS 82 1.692 -13.484 -4.925 469 HB2 HIS 82 HB2 HIS 82 1.441 -12.464 -7.251 470 HB3 HIS 82 HB3 HIS 82 1.705 -10.882 -6.526 471 HD1 HIS 82 HD1 HIS 82 3.489 -13.937 -7.678 472 HD2 HIS 82 HD2 HIS 82 4.346 -10.455 -5.597 473 HE1 HIS 82 HE1 HIS 82 5.993 -13.749 -7.704 474 HE2 HIS 82 HE2 HIS 82 6.502 -11.651 -6.416 475 H GLY 83 H GLY 83 -0.031 -10.736 -3.859 476 HA2 GLY 83 HA2 GLY 83 0.075 -9.604 -1.875 477 HA3 GLY 83 HA3 GLY 83 1.534 -10.492 -1.465 478 H THR 84 H THR 84 1.036 -8.551 -4.360 479 HA THR 84 HA THR 84 3.287 -6.807 -3.602 480 HB THR 84 HB THR 84 1.940 -7.162 -6.328 481 HG1 THR 84 HG1 THR 84 3.900 -8.338 -6.792 482 HG21 THR 84 HG21 THR 84 3.932 -6.006 -7.232 483 HG22 THR 84 HG22 THR 84 4.537 -5.752 -5.595 484 HG23 THR 84 HG23 THR 84 3.047 -4.962 -6.117 485 H ALA 85 H ALA 85 3.037 -4.623 -3.491 486 HA ALA 85 HA ALA 85 0.495 -3.306 -4.002 487 HB1 ALA 85 HB1 ALA 85 0.287 -2.477 -1.688 488 HB2 ALA 85 HB2 ALA 85 1.676 -3.455 -1.204 489 HB3 ALA 85 HB3 ALA 85 0.191 -4.239 -1.744 490 H ASP 86 H ASP 86 0.848 -1.270 -4.676 491 HA ASP 86 HA ASP 86 3.530 -0.116 -4.694 492 HB2 ASP 86 HB2 ASP 86 0.866 1.081 -5.617 493 HB3 ASP 86 HB3 ASP 86 2.451 1.787 -5.901 494 H ILE 87 H ILE 87 4.272 1.300 -3.151 495 HA ILE 87 HA ILE 87 2.375 2.132 -1.043 496 HB ILE 87 HB ILE 87 4.358 2.581 0.372 497 HG12 ILE 87 HG12 ILE 87 6.031 1.305 -1.844 498 HG13 ILE 87 HG13 ILE 87 6.033 3.023 -1.474 499 HG21 ILE 87 HG21 ILE 87 3.213 0.413 0.485 500 HG22 ILE 87 HG22 ILE 87 4.937 0.216 0.783 501 HG23 ILE 87 HG23 ILE 87 4.261 -0.230 -0.784 502 HD11 ILE 87 HD11 ILE 87 7.969 1.926 -0.543 503 HD12 ILE 87 HD12 ILE 87 6.947 0.807 0.356 504 HD13 ILE 87 HD13 ILE 87 6.938 2.529 0.755 505 H TYR 88 H TYR 88 1.976 4.142 -0.534 506 HA TYR 88 HA TYR 88 3.095 6.362 -2.127 507 HB2 TYR 88 HB2 TYR 88 0.176 5.708 -1.535 508 HB3 TYR 88 HB3 TYR 88 0.690 7.316 -2.020 509 HD1 TYR 88 HD2 TYR 88 0.889 3.736 -3.223 510 HD2 TYR 88 HD1 TYR 88 0.631 7.862 -4.304 511 HE1 TYR 88 HE2 TYR 88 0.597 3.109 -5.578 512 HE2 TYR 88 HE1 TYR 88 0.340 7.227 -6.656 513 HH TYR 88 HH TYR 88 0.877 5.296 -8.130 514 H LYS 89 H LYS 89 3.164 8.335 -1.126 515 HA LYS 89 HA LYS 89 2.455 8.524 1.747 516 HB2 LYS 89 HB2 LYS 89 4.605 9.924 0.104 517 HB3 LYS 89 HB3 LYS 89 4.069 10.549 1.657 518 HG2 LYS 89 HG2 LYS 89 4.658 8.210 2.607 519 HG3 LYS 89 HG3 LYS 89 5.496 7.949 1.077 520 HD2 LYS 89 HD2 LYS 89 7.234 8.722 2.436 521 HD3 LYS 89 HD3 LYS 89 6.719 10.218 1.654 522 HE2 LYS 89 HE2 LYS 89 5.957 9.292 4.455 523 HE3 LYS 89 HE3 LYS 89 7.091 10.576 4.056 524 HZ1 LYS 89 HZ1 LYS 89 5.011 11.506 4.709 525 HZ2 LYS 89 HZ2 LYS 89 4.167 10.580 3.572 526 HZ3 LYS 89 HZ3 LYS 89 5.220 11.797 3.054 527 H LYS 90 H LYS 90 1.368 10.461 2.426 528 HA LYS 90 HA LYS 90 -0.436 11.469 0.378 529 HB2 LYS 90 HB2 LYS 90 -1.190 10.716 2.706 530 HB3 LYS 90 HB3 LYS 90 -0.472 12.193 3.349 531 HG2 LYS 90 HG2 LYS 90 -1.987 13.560 2.023 532 HG3 LYS 90 HG3 LYS 90 -2.608 12.148 1.186 533 HD2 LYS 90 HD2 LYS 90 -3.605 11.336 3.304 534 HD3 LYS 90 HD3 LYS 90 -2.983 12.762 4.144 535 HE2 LYS 90 HE2 LYS 90 -4.371 14.228 2.716 536 HE3 LYS 90 HE3 LYS 90 -4.960 12.823 1.827 537 HZ1 LYS 90 HZ1 LYS 90 -5.420 13.365 4.707 538 HZ2 LYS 90 HZ2 LYS 90 -5.994 12.024 3.853 539 HZ3 LYS 90 HZ3 LYS 90 -6.547 13.572 3.464 540 H LYS 91 H LYS 91 -0.653 13.548 -0.286 541 HA LYS 91 HA LYS 91 1.493 15.419 -0.168 542 HB2 LYS 91 HB2 LYS 91 -1.399 15.720 -1.108 543 HB3 LYS 91 HB3 LYS 91 -0.143 16.929 -1.372 544 HG2 LYS 91 HG2 LYS 91 1.119 15.341 -2.761 545 HG3 LYS 91 HG3 LYS 91 -0.103 14.097 -2.477 546 HD2 LYS 91 HD2 LYS 91 -1.780 15.384 -3.684 547 HD3 LYS 91 HD3 LYS 91 -0.688 16.766 -3.827 548 HE2 LYS 91 HE2 LYS 91 -0.244 14.043 -5.110 549 HE3 LYS 91 HE3 LYS 91 -0.849 15.480 -5.937 550 HZ1 LYS 91 HZ1 LYS 91 1.232 16.601 -5.441 551 HZ2 LYS 91 HZ2 LYS 91 1.512 15.180 -6.308 552 HZ3 LYS 91 HZ3 LYS 91 1.816 15.228 -4.648 553 H LEU 92 H LEU 92 1.213 17.698 0.561 554 HA LEU 92 HA LEU 92 0.136 18.033 3.202 555 HB2 LEU 92 HB2 LEU 92 1.203 20.031 1.160 556 HB3 LEU 92 HB3 LEU 92 0.570 20.531 2.716 557 HG LEU 92 HG LEU 92 2.376 19.126 3.820 558 HD11 LEU 92 HD11 LEU 92 2.925 17.611 1.981 559 HD12 LEU 92 HD12 LEU 92 4.353 18.486 2.526 560 HD13 LEU 92 HD13 LEU 92 3.546 18.963 1.029 561 HD21 LEU 92 HD21 LEU 92 2.594 21.562 3.644 562 HD22 LEU 92 HD22 LEU 92 3.330 21.402 2.047 563 HD23 LEU 92 HD23 LEU 92 4.165 20.782 3.473 564 H GLU 93 H GLU 93 -1.761 19.122 3.821 565 HA GLU 93 HA GLU 93 -3.936 19.753 3.795 566 HB2 GLU 93 HB2 GLU 93 -2.955 21.473 2.089 567 HB3 GLU 93 HB3 GLU 93 -3.683 20.473 0.845 568 HG2 GLU 93 HG2 GLU 93 -5.924 20.880 1.937 569 HG3 GLU 93 HG3 GLU 93 -5.123 22.000 3.040 570 H HIS 94 H HIS 94 -6.090 19.334 2.188 571 HA HIS 94 HA HIS 94 -5.855 16.721 0.846 572 HB2 HIS 94 HB2 HIS 94 -7.957 15.922 1.806 573 HB3 HIS 94 HB3 HIS 94 -6.847 16.314 3.118 574 HD1 HIS 94 HD1 HIS 94 -10.258 16.795 2.095 575 HD2 HIS 94 HD2 HIS 94 -7.491 19.051 4.222 576 HE1 HIS 94 HE1 HIS 94 -11.604 18.493 3.351 577 HE2 HIS 94 HE2 HIS 94 -9.905 19.940 4.498 578 H HIS 95 H HIS 95 -6.741 16.759 -1.129 579 HA HIS 95 HA HIS 95 -7.637 17.461 -3.057 580 HB2 HIS 95 HB2 HIS 95 -9.736 16.937 -1.679 581 HB3 HIS 95 HB3 HIS 95 -9.897 18.666 -1.394 582 HD1 HIS 95 HD1 HIS 95 -9.850 16.192 -4.267 583 HD2 HIS 95 HD2 HIS 95 -11.257 19.995 -3.388 584 HE1 HIS 95 HE1 HIS 95 -11.287 16.840 -6.214 585 HE2 HIS 95 HE2 HIS 95 -12.303 19.043 -5.544 586 H HIS 96 H HIS 96 -5.948 18.875 -3.535 587 HA HIS 96 HA HIS 96 -5.860 21.562 -2.435 588 HB2 HIS 96 HB2 HIS 96 -3.843 20.020 -2.749 589 HB3 HIS 96 HB3 HIS 96 -3.960 20.323 -4.480 590 HD1 HIS 96 HD1 HIS 96 -3.044 22.552 -5.331 591 HD2 HIS 96 HD2 HIS 96 -3.045 22.276 -1.190 592 HE1 HIS 96 HE1 HIS 96 -1.694 24.508 -4.530 593 HE2 HIS 96 HE2 HIS 96 -1.897 24.436 -2.028 594 H HIS 97 H HIS 97 -7.895 20.602 -4.619 595 HA HIS 97 HA HIS 97 -7.872 23.175 -6.062 596 HB2 HIS 97 HB2 HIS 97 -8.582 20.470 -7.298 597 HB3 HIS 97 HB3 HIS 97 -8.801 22.030 -8.083 598 HD1 HIS 97 HD1 HIS 97 -6.589 19.295 -8.166 599 HD2 HIS 97 HD2 HIS 97 -6.048 23.414 -8.171 600 HE1 HIS 97 HE1 HIS 97 -4.301 19.672 -9.139 601 HE2 HIS 97 HE2 HIS 97 -4.092 22.174 -9.316 602 H HIS 98 H HIS 98 -10.305 23.220 -7.196 603 HA HIS 98 HA HIS 98 -12.244 22.653 -5.041 604 HB2 HIS 98 HB2 HIS 98 -12.548 24.258 -7.625 605 HB3 HIS 98 HB3 HIS 98 -13.856 23.973 -6.482 606 HD1 HIS 98 HD1 HIS 98 -11.603 26.528 -7.325 607 HD2 HIS 98 HD2 HIS 98 -12.873 24.921 -3.710 608 HE1 HIS 98 HE1 HIS 98 -11.113 28.287 -5.602 609 HE2 HIS 98 HE2 HIS 98 -11.806 27.263 -3.411 610 H HIS 99 H HIS 99 -11.820 22.076 -8.524 611 HA HIS 99 HA HIS 99 -12.371 20.481 -9.963 612 HB2 HIS 99 HB2 HIS 99 -11.150 19.002 -8.408 613 HB3 HIS 99 HB3 HIS 99 -12.630 18.702 -7.505 614 HD1 HIS 99 HD1 HIS 99 -14.410 17.169 -8.620 615 HD2 HIS 99 HD2 HIS 99 -10.880 17.507 -10.795 616 HE1 HIS 99 HE1 HIS 99 -14.511 15.352 -10.347 617 HE2 HIS 99 HE2 HIS 99 -12.411 15.615 -11.701 Start of MODEL 8 1 H1 ALA 22 H1 ALA 22 0.209 1.946 8.581 2 H2 ALA 22 H2 ALA 22 -0.557 3.447 8.538 3 H3 ALA 22 H3 ALA 22 1.075 3.328 8.119 4 HA ALA 22 HA ALA 22 -0.324 3.588 6.197 5 HB1 ALA 22 HB1 ALA 22 0.580 1.711 4.894 6 HB2 ALA 22 HB2 ALA 22 0.952 0.835 6.383 7 HB3 ALA 22 HB3 ALA 22 1.794 2.340 6.009 8 H GLU 23 H GLU 23 -1.910 2.532 4.721 9 HA GLU 23 HA GLU 23 -3.875 0.780 6.112 10 HB2 GLU 23 HB2 GLU 23 -5.711 2.112 5.154 11 HB3 GLU 23 HB3 GLU 23 -4.678 3.118 6.156 12 HG2 GLU 23 HG2 GLU 23 -3.566 3.973 4.092 13 HG3 GLU 23 HG3 GLU 23 -4.701 3.041 3.120 14 H ILE 24 H ILE 24 -4.726 -0.874 4.880 15 HA ILE 24 HA ILE 24 -3.696 -1.333 2.190 16 HB ILE 24 HB ILE 24 -5.586 -2.977 3.950 17 HG12 ILE 24 HG12 ILE 24 -3.190 -2.927 4.638 18 HG13 ILE 24 HG13 ILE 24 -3.721 -4.536 4.179 19 HG21 ILE 24 HG21 ILE 24 -6.222 -3.386 1.618 20 HG22 ILE 24 HG22 ILE 24 -5.423 -4.807 2.282 21 HG23 ILE 24 HG23 ILE 24 -4.548 -3.735 1.185 22 HD11 ILE 24 HD11 ILE 24 -2.583 -4.285 2.019 23 HD12 ILE 24 HD12 ILE 24 -1.475 -4.075 3.375 24 HD13 ILE 24 HD13 ILE 24 -2.058 -2.667 2.487 25 H MET 25 H MET 25 -4.646 -0.234 0.563 26 HA MET 25 HA MET 25 -7.587 -0.486 0.248 27 HB2 MET 25 HB2 MET 25 -5.881 1.896 -0.640 28 HB3 MET 25 HB3 MET 25 -7.552 1.634 -1.117 29 HG2 MET 25 HG2 MET 25 -8.107 1.700 1.388 30 HG3 MET 25 HG3 MET 25 -6.483 2.349 1.607 31 HE1 MET 25 HE1 MET 25 -5.672 4.680 0.369 32 HE2 MET 25 HE2 MET 25 -6.762 5.656 -0.615 33 HE3 MET 25 HE3 MET 25 -6.246 4.069 -1.184 34 H LYS 26 H LYS 26 -8.237 -1.093 -1.836 35 HA LYS 26 HA LYS 26 -6.230 -2.212 -3.620 36 HB2 LYS 26 HB2 LYS 26 -9.260 -1.990 -3.924 37 HB3 LYS 26 HB3 LYS 26 -8.200 -2.945 -4.962 38 HG2 LYS 26 HG2 LYS 26 -7.625 -4.400 -3.080 39 HG3 LYS 26 HG3 LYS 26 -8.600 -3.414 -1.990 40 HD2 LYS 26 HD2 LYS 26 -9.715 -4.941 -4.374 41 HD3 LYS 26 HD3 LYS 26 -9.699 -5.551 -2.724 42 HE2 LYS 26 HE2 LYS 26 -11.887 -4.721 -2.989 43 HE3 LYS 26 HE3 LYS 26 -11.069 -3.427 -2.125 44 HZ1 LYS 26 HZ1 LYS 26 -10.860 -2.220 -4.168 45 HZ2 LYS 26 HZ2 LYS 26 -12.474 -2.650 -3.927 46 HZ3 LYS 26 HZ3 LYS 26 -11.538 -3.495 -5.050 47 H LYS 27 H LYS 27 -6.314 -1.643 -5.986 48 HA LYS 27 HA LYS 27 -5.637 1.047 -6.359 49 HB2 LYS 27 HB2 LYS 27 -5.224 -1.243 -7.806 50 HB3 LYS 27 HB3 LYS 27 -6.455 -0.499 -8.809 51 HG2 LYS 27 HG2 LYS 27 -3.708 0.609 -8.119 52 HG3 LYS 27 HG3 LYS 27 -4.290 0.078 -9.696 53 HD2 LYS 27 HD2 LYS 27 -5.930 1.979 -9.680 54 HD3 LYS 27 HD3 LYS 27 -5.234 2.526 -8.154 55 HE2 LYS 27 HE2 LYS 27 -4.289 3.858 -9.914 56 HE3 LYS 27 HE3 LYS 27 -3.021 2.769 -9.353 57 HZ1 LYS 27 HZ1 LYS 27 -3.457 1.343 -11.240 58 HZ2 LYS 27 HZ2 LYS 27 -3.125 2.914 -11.769 59 HZ3 LYS 27 HZ3 LYS 27 -4.715 2.347 -11.755 60 H THR 28 H THR 28 -8.698 -0.633 -6.936 61 HA THR 28 HA THR 28 -10.058 1.316 -8.439 62 HB THR 28 HB THR 28 -11.290 -0.631 -6.434 63 HG1 THR 28 HG1 THR 28 -10.164 -0.979 -8.992 64 HG21 THR 28 HG21 THR 28 -13.253 -0.591 -7.932 65 HG22 THR 28 HG22 THR 28 -12.459 0.600 -8.965 66 HG23 THR 28 HG23 THR 28 -12.915 1.027 -7.313 67 H ASP 29 H ASP 29 -9.784 0.889 -4.934 68 HA ASP 29 HA ASP 29 -11.574 3.040 -4.213 69 HB2 ASP 29 HB2 ASP 29 -9.532 1.602 -2.454 70 HB3 ASP 29 HB3 ASP 29 -10.944 2.507 -1.915 71 H PHE 30 H PHE 30 -8.124 2.515 -4.419 72 HA PHE 30 HA PHE 30 -7.206 4.917 -3.270 73 HB2 PHE 30 HB2 PHE 30 -5.705 3.037 -3.459 74 HB3 PHE 30 HB3 PHE 30 -5.915 2.953 -5.208 75 HD1 PHE 30 HD1 PHE 30 -4.706 5.271 -2.511 76 HD2 PHE 30 HD2 PHE 30 -4.337 4.052 -6.598 77 HE1 PHE 30 HE1 PHE 30 -2.831 6.806 -2.814 78 HE2 PHE 30 HE2 PHE 30 -2.446 5.600 -6.878 79 HZ PHE 30 HZ PHE 30 -1.702 6.975 -4.981 80 H ASP 31 H ASP 31 -8.190 4.047 -6.540 81 HA ASP 31 HA ASP 31 -6.944 5.985 -8.103 82 HB2 ASP 31 HB2 ASP 31 -8.317 3.985 -8.890 83 HB3 ASP 31 HB3 ASP 31 -9.767 4.917 -8.531 84 H LYS 32 H LYS 32 -10.001 6.126 -6.364 85 HA LYS 32 HA LYS 32 -11.059 8.569 -7.227 86 HB2 LYS 32 HB2 LYS 32 -11.305 7.376 -4.441 87 HB3 LYS 32 HB3 LYS 32 -12.437 8.493 -5.201 88 HG2 LYS 32 HG2 LYS 32 -13.038 6.768 -6.854 89 HG3 LYS 32 HG3 LYS 32 -11.878 5.653 -6.133 90 HD2 LYS 32 HD2 LYS 32 -14.362 6.782 -4.781 91 HD3 LYS 32 HD3 LYS 32 -14.168 5.140 -5.399 92 HE2 LYS 32 HE2 LYS 32 -12.342 4.754 -3.752 93 HE3 LYS 32 HE3 LYS 32 -12.580 6.382 -3.124 94 HZ1 LYS 32 HZ1 LYS 32 -13.656 4.708 -1.779 95 HZ2 LYS 32 HZ2 LYS 32 -14.596 4.221 -3.093 96 HZ3 LYS 32 HZ3 LYS 32 -14.789 5.769 -2.446 97 H VAL 33 H VAL 33 -8.499 7.933 -4.915 98 HA VAL 33 HA VAL 33 -8.266 10.814 -4.228 99 HB VAL 33 HB VAL 33 -7.405 10.099 -1.989 100 HG11 VAL 33 HG11 VAL 33 -9.802 10.678 -2.176 101 HG12 VAL 33 HG12 VAL 33 -9.571 9.393 -0.990 102 HG13 VAL 33 HG13 VAL 33 -10.188 9.007 -2.598 103 HG21 VAL 33 HG21 VAL 33 -7.703 7.747 -1.219 104 HG22 VAL 33 HG22 VAL 33 -6.565 7.844 -2.563 105 HG23 VAL 33 HG23 VAL 33 -8.215 7.285 -2.846 106 H ALA 34 H ALA 34 -6.977 8.936 -6.318 107 HA ALA 34 HA ALA 34 -4.357 8.254 -5.592 108 HB1 ALA 34 HB1 ALA 34 -5.474 7.378 -7.596 109 HB2 ALA 34 HB2 ALA 34 -3.901 8.065 -7.996 110 HB3 ALA 34 HB3 ALA 34 -5.374 8.968 -8.361 111 H SER 35 H SER 35 -5.599 11.278 -6.894 112 HA SER 35 HA SER 35 -3.119 12.539 -7.447 113 HB2 SER 35 HB2 SER 35 -5.842 13.784 -6.943 114 HB3 SER 35 HB3 SER 35 -4.475 14.580 -7.727 115 HG SER 35 HG SER 35 -4.595 13.025 -9.380 116 H GLU 36 H GLU 36 -4.533 11.851 -4.438 117 HA GLU 36 HA GLU 36 -3.220 14.102 -3.056 118 HB2 GLU 36 HB2 GLU 36 -5.120 11.927 -2.077 119 HB3 GLU 36 HB3 GLU 36 -4.396 13.139 -1.024 120 HG2 GLU 36 HG2 GLU 36 -6.304 13.644 -3.318 121 HG3 GLU 36 HG3 GLU 36 -6.672 13.768 -1.595 122 H TYR 37 H TYR 37 -2.158 11.207 -4.241 123 HA TYR 37 HA TYR 37 -0.261 10.836 -1.995 124 HB2 TYR 37 HB2 TYR 37 -1.777 8.563 -3.343 125 HB3 TYR 37 HB3 TYR 37 -0.472 8.360 -2.178 126 HD1 TYR 37 HD1 TYR 37 -0.809 9.160 0.211 127 HD2 TYR 37 HD2 TYR 37 -4.032 9.018 -2.592 128 HE1 TYR 37 HE1 TYR 37 -2.416 9.334 2.048 129 HE2 TYR 37 HE2 TYR 37 -5.631 9.175 -0.733 130 HH TYR 37 HH TYR 37 -5.726 8.714 1.668 131 H THR 38 H THR 38 1.808 10.441 -2.569 132 HA THR 38 HA THR 38 2.518 9.995 -5.420 133 HB THR 38 HB THR 38 4.755 11.082 -4.689 134 HG1 THR 38 HG1 THR 38 4.679 11.094 -2.506 135 HG21 THR 38 HG21 THR 38 3.908 13.398 -4.875 136 HG22 THR 38 HG22 THR 38 2.271 12.826 -4.557 137 HG23 THR 38 HG23 THR 38 3.096 12.347 -6.041 138 H LYS 39 H LYS 39 3.740 8.202 -5.891 139 HA LYS 39 HA LYS 39 4.001 6.187 -3.849 140 HB2 LYS 39 HB2 LYS 39 3.305 5.688 -6.216 141 HB3 LYS 39 HB3 LYS 39 4.938 6.065 -6.750 142 HG2 LYS 39 HG2 LYS 39 5.850 4.171 -5.594 143 HG3 LYS 39 HG3 LYS 39 4.350 3.916 -4.705 144 HD2 LYS 39 HD2 LYS 39 4.369 2.212 -6.330 145 HD3 LYS 39 HD3 LYS 39 3.248 3.410 -6.969 146 HE2 LYS 39 HE2 LYS 39 6.149 3.251 -7.823 147 HE3 LYS 39 HE3 LYS 39 4.871 2.336 -8.616 148 HZ1 LYS 39 HZ1 LYS 39 5.386 4.374 -9.763 149 HZ2 LYS 39 HZ2 LYS 39 4.996 5.287 -8.401 150 HZ3 LYS 39 HZ3 LYS 39 3.798 4.398 -9.193 151 H ILE 40 H ILE 40 5.767 5.577 -2.737 152 HA ILE 40 HA ILE 40 8.400 6.796 -3.374 153 HB ILE 40 HB ILE 40 9.057 6.222 -1.014 154 HG12 ILE 40 HG12 ILE 40 6.094 5.567 -0.631 155 HG13 ILE 40 HG13 ILE 40 7.390 4.383 -0.625 156 HG21 ILE 40 HG21 ILE 40 6.639 8.043 -1.271 157 HG22 ILE 40 HG22 ILE 40 8.315 8.485 -1.600 158 HG23 ILE 40 HG23 ILE 40 7.820 8.075 0.042 159 HD11 ILE 40 HD11 ILE 40 6.937 6.578 1.384 160 HD12 ILE 40 HD12 ILE 40 8.318 5.478 1.394 161 HD13 ILE 40 HD13 ILE 40 6.685 4.850 1.615 162 H GLY 41 H GLY 41 6.730 3.923 -3.704 163 HA2 GLY 41 HA2 GLY 41 8.687 2.536 -4.996 164 HA3 GLY 41 HA3 GLY 41 8.896 2.069 -3.309 165 H THR 42 H THR 42 8.419 0.007 -4.673 166 HA THR 42 HA THR 42 5.576 -0.672 -4.156 167 HB THR 42 HB THR 42 7.308 -1.947 -6.342 168 HG1 THR 42 HG1 THR 42 5.215 -0.034 -6.714 169 HG21 THR 42 HG21 THR 42 4.303 -2.033 -5.849 170 HG22 THR 42 HG22 THR 42 5.431 -3.355 -5.525 171 HG23 THR 42 HG23 THR 42 5.152 -2.814 -7.183 172 H ILE 43 H ILE 43 5.350 -2.336 -2.761 173 HA ILE 43 HA ILE 43 7.660 -4.071 -2.121 174 HB ILE 43 HB ILE 43 6.565 -4.522 0.068 175 HG12 ILE 43 HG12 ILE 43 4.551 -2.374 -0.768 176 HG13 ILE 43 HG13 ILE 43 4.192 -4.084 -0.565 177 HG21 ILE 43 HG21 ILE 43 8.282 -2.743 -0.082 178 HG22 ILE 43 HG22 ILE 43 7.083 -2.359 1.152 179 HG23 ILE 43 HG23 ILE 43 7.026 -1.547 -0.414 180 HD11 ILE 43 HD11 ILE 43 4.988 -2.137 1.583 181 HD12 ILE 43 HD12 ILE 43 4.734 -3.865 1.836 182 HD13 ILE 43 HD13 ILE 43 3.395 -2.839 1.318 183 H SER 44 H SER 44 7.111 -6.297 -1.573 184 HA SER 44 HA SER 44 4.656 -7.404 -2.690 185 HB2 SER 44 HB2 SER 44 6.146 -7.187 -4.678 186 HB3 SER 44 HB3 SER 44 7.392 -8.122 -3.850 187 HG SER 44 HG SER 44 4.838 -9.261 -4.091 188 H THR 45 H THR 45 4.065 -9.207 -1.641 189 HA THR 45 HA THR 45 5.866 -10.481 0.294 190 HB THR 45 HB THR 45 3.677 -11.765 0.876 191 HG1 THR 45 HG1 THR 45 2.535 -11.224 -1.041 192 HG21 THR 45 HG21 THR 45 2.760 -9.879 2.199 193 HG22 THR 45 HG22 THR 45 3.766 -8.756 1.284 194 HG23 THR 45 HG23 THR 45 4.519 -9.970 2.320 195 H THR 46 H THR 46 6.089 -12.795 0.352 196 HA THR 46 HA THR 46 6.410 -14.088 -2.188 197 HB THR 46 HB THR 46 6.517 -15.303 0.619 198 HG1 THR 46 HG1 THR 46 8.481 -14.023 -1.014 199 HG21 THR 46 HG21 THR 46 7.736 -16.301 -1.990 200 HG22 THR 46 HG22 THR 46 6.374 -17.043 -1.143 201 HG23 THR 46 HG23 THR 46 7.977 -17.025 -0.403 202 H GLY 47 H GLY 47 4.379 -14.087 -3.189 203 HA2 GLY 47 HA2 GLY 47 2.307 -14.925 -3.791 204 HA3 GLY 47 HA3 GLY 47 2.418 -16.092 -2.471 205 H GLU 48 H GLU 48 0.440 -15.758 -1.453 206 HA GLU 48 HA GLU 48 -0.040 -13.060 -0.302 207 HB2 GLU 48 HB2 GLU 48 -2.406 -13.602 -0.076 208 HB3 GLU 48 HB3 GLU 48 -1.917 -13.793 -1.749 209 HG2 GLU 48 HG2 GLU 48 -2.146 -16.145 0.141 210 HG3 GLU 48 HG3 GLU 48 -3.524 -15.537 -0.769 211 H MET 49 H MET 49 0.721 -16.343 0.328 212 HA MET 49 HA MET 49 1.110 -17.609 2.151 213 HB2 MET 49 HB2 MET 49 1.248 -14.962 3.654 214 HB3 MET 49 HB3 MET 49 1.883 -16.503 4.216 215 HG2 MET 49 HG2 MET 49 3.594 -16.509 2.547 216 HG3 MET 49 HG3 MET 49 2.867 -15.149 1.695 217 HE1 MET 49 HE1 MET 49 2.132 -13.156 4.109 218 HE2 MET 49 HE2 MET 49 2.896 -12.650 2.601 219 HE3 MET 49 HE3 MET 49 3.598 -12.171 4.146 220 H SER 50 H SER 50 -0.512 -15.187 4.155 221 HA SER 50 HA SER 50 -3.079 -16.629 3.988 222 HB2 SER 50 HB2 SER 50 -1.862 -15.498 6.552 223 HB3 SER 50 HB3 SER 50 -3.462 -16.228 6.400 224 HG SER 50 HG SER 50 -2.086 -18.093 5.514 225 HA PRO 51 HA PRO 51 -4.568 -12.702 2.372 226 HB2 PRO 51 HB2 PRO 51 -6.876 -13.258 4.282 227 HB3 PRO 51 HB3 PRO 51 -6.927 -12.714 2.588 228 HG2 PRO 51 HG2 PRO 51 -7.367 -15.251 3.180 229 HG3 PRO 51 HG3 PRO 51 -6.413 -14.811 1.745 230 HD2 PRO 51 HD2 PRO 51 -5.494 -15.988 4.325 231 HD3 PRO 51 HD3 PRO 51 -4.788 -16.129 2.702 232 H LEU 52 H LEU 52 -5.319 -12.928 5.885 233 HA LEU 52 HA LEU 52 -5.256 -10.076 6.267 234 HB2 LEU 52 HB2 LEU 52 -5.318 -12.382 8.245 235 HB3 LEU 52 HB3 LEU 52 -5.250 -10.711 8.762 236 HG LEU 52 HG LEU 52 -7.519 -11.467 8.952 237 HD11 LEU 52 HD11 LEU 52 -7.270 -9.145 8.232 238 HD12 LEU 52 HD12 LEU 52 -8.745 -9.855 7.583 239 HD13 LEU 52 HD13 LEU 52 -7.339 -9.641 6.536 240 HD21 LEU 52 HD21 LEU 52 -8.859 -12.320 7.100 241 HD22 LEU 52 HD22 LEU 52 -7.469 -13.358 7.400 242 HD23 LEU 52 HD23 LEU 52 -7.461 -12.252 6.023 243 H ASP 53 H ASP 53 -3.016 -12.731 6.952 244 HA ASP 53 HA ASP 53 -1.027 -11.377 8.362 245 HB2 ASP 53 HB2 ASP 53 -1.078 -13.804 8.215 246 HB3 ASP 53 HB3 ASP 53 -0.811 -13.756 6.477 247 H ALA 54 H ALA 54 -1.379 -11.807 4.872 248 HA ALA 54 HA ALA 54 1.019 -10.648 3.978 249 HB1 ALA 54 HB1 ALA 54 -1.673 -10.730 2.547 250 HB2 ALA 54 HB2 ALA 54 -0.441 -11.988 2.510 251 HB3 ALA 54 HB3 ALA 54 -0.105 -10.417 1.789 252 H ARG 55 H ARG 55 -2.198 -9.264 4.501 253 HA ARG 55 HA ARG 55 -1.775 -6.625 3.665 254 HB2 ARG 55 HB2 ARG 55 -3.593 -7.727 5.838 255 HB3 ARG 55 HB3 ARG 55 -3.694 -6.083 5.219 256 HG2 ARG 55 HG2 ARG 55 -4.346 -6.900 3.019 257 HG3 ARG 55 HG3 ARG 55 -4.118 -8.575 3.542 258 HD2 ARG 55 HD2 ARG 55 -6.505 -7.884 3.548 259 HD3 ARG 55 HD3 ARG 55 -5.949 -8.368 5.152 260 HE ARG 55 HE ARG 55 -6.554 -5.634 4.228 261 HH11 ARG 55 HH11 ARG 55 -5.784 -7.741 6.916 262 HH12 ARG 55 HH12 ARG 55 -6.177 -6.553 8.115 263 HH21 ARG 55 HH21 ARG 55 -7.025 -4.070 5.808 264 HH22 ARG 55 HH22 ARG 55 -6.886 -4.473 7.486 265 H GLU 56 H GLU 56 -1.401 -8.102 6.879 266 HA GLU 56 HA GLU 56 -0.775 -5.725 8.316 267 HB2 GLU 56 HB2 GLU 56 -0.212 -8.651 8.983 268 HB3 GLU 56 HB3 GLU 56 -0.092 -7.317 10.129 269 HG2 GLU 56 HG2 GLU 56 -2.487 -6.881 9.943 270 HG3 GLU 56 HG3 GLU 56 -2.640 -8.105 8.688 271 H ASP 57 H ASP 57 1.172 -8.175 6.688 272 HA ASP 57 HA ASP 57 3.748 -7.336 7.597 273 HB2 ASP 57 HB2 ASP 57 3.211 -9.620 6.661 274 HB3 ASP 57 HB3 ASP 57 3.016 -8.901 5.069 275 H LEU 58 H LEU 58 1.845 -6.714 4.675 276 HA LEU 58 HA LEU 58 3.643 -5.051 3.290 277 HB2 LEU 58 HB2 LEU 58 0.605 -5.161 3.208 278 HB3 LEU 58 HB3 LEU 58 1.578 -4.223 2.085 279 HG LEU 58 HG LEU 58 1.798 -7.252 2.357 280 HD11 LEU 58 HD11 LEU 58 0.256 -5.687 0.271 281 HD12 LEU 58 HD12 LEU 58 -0.439 -6.677 1.557 282 HD13 LEU 58 HD13 LEU 58 0.515 -7.435 0.285 283 HD21 LEU 58 HD21 LEU 58 3.835 -6.199 1.425 284 HD22 LEU 58 HD22 LEU 58 2.866 -5.417 0.175 285 HD23 LEU 58 HD23 LEU 58 3.004 -7.177 0.217 286 H ILE 59 H ILE 59 1.018 -4.265 5.577 287 HA ILE 59 HA ILE 59 1.303 -1.447 5.556 288 HB ILE 59 HB ILE 59 0.179 -3.321 7.692 289 HG12 ILE 59 HG12 ILE 59 -1.198 -1.401 5.759 290 HG13 ILE 59 HG13 ILE 59 -1.138 -3.152 5.594 291 HG21 ILE 59 HG21 ILE 59 0.087 -0.272 7.760 292 HG22 ILE 59 HG22 ILE 59 0.987 -1.305 8.869 293 HG23 ILE 59 HG23 ILE 59 -0.772 -1.353 8.861 294 HD11 ILE 59 HD11 ILE 59 -2.468 -3.385 7.635 295 HD12 ILE 59 HD12 ILE 59 -3.289 -2.411 6.416 296 HD13 ILE 59 HD13 ILE 59 -2.524 -1.627 7.796 297 H LYS 60 H LYS 60 2.860 -4.008 7.498 298 HA LYS 60 HA LYS 60 4.157 -2.344 9.370 299 HB2 LYS 60 HB2 LYS 60 3.912 -4.815 9.620 300 HB3 LYS 60 HB3 LYS 60 5.098 -5.059 8.340 301 HG2 LYS 60 HG2 LYS 60 6.853 -4.037 9.707 302 HG3 LYS 60 HG3 LYS 60 5.676 -3.608 10.950 303 HD2 LYS 60 HD2 LYS 60 5.240 -6.055 11.309 304 HD3 LYS 60 HD3 LYS 60 6.532 -6.415 10.158 305 HE2 LYS 60 HE2 LYS 60 8.193 -5.362 11.617 306 HE3 LYS 60 HE3 LYS 60 6.925 -4.817 12.722 307 HZ1 LYS 60 HZ1 LYS 60 7.691 -7.617 12.158 308 HZ2 LYS 60 HZ2 LYS 60 6.385 -7.159 13.129 309 HZ3 LYS 60 HZ3 LYS 60 7.963 -6.759 13.584 310 H LYS 61 H LYS 61 5.354 -3.730 6.289 311 HA LYS 61 HA LYS 61 7.946 -2.567 6.366 312 HB2 LYS 61 HB2 LYS 61 6.376 -3.372 3.871 313 HB3 LYS 61 HB3 LYS 61 8.118 -3.131 3.975 314 HG2 LYS 61 HG2 LYS 61 8.208 -5.052 5.612 315 HG3 LYS 61 HG3 LYS 61 6.499 -5.334 5.277 316 HD2 LYS 61 HD2 LYS 61 7.157 -5.569 2.808 317 HD3 LYS 61 HD3 LYS 61 8.837 -5.579 3.353 318 HE2 LYS 61 HE2 LYS 61 6.670 -7.606 3.955 319 HE3 LYS 61 HE3 LYS 61 8.181 -7.865 3.088 320 HZ1 LYS 61 HZ1 LYS 61 8.455 -8.779 5.210 321 HZ2 LYS 61 HZ2 LYS 61 7.790 -7.441 5.986 322 HZ3 LYS 61 HZ3 LYS 61 9.309 -7.323 5.253 323 H ALA 62 H ALA 62 4.937 -1.537 4.825 324 HA ALA 62 HA ALA 62 5.864 0.755 3.470 325 HB1 ALA 62 HB1 ALA 62 3.490 1.359 3.286 326 HB2 ALA 62 HB2 ALA 62 3.076 0.175 4.532 327 HB3 ALA 62 HB3 ALA 62 3.724 -0.363 2.983 328 H ASP 63 H ASP 63 4.412 0.377 6.681 329 HA ASP 63 HA ASP 63 4.200 3.174 7.262 330 HB2 ASP 63 HB2 ASP 63 2.739 1.366 8.281 331 HB3 ASP 63 HB3 ASP 63 4.118 0.841 9.233 332 H GLU 64 H GLU 64 6.500 0.591 8.079 333 HA GLU 64 HA GLU 64 8.374 1.994 9.614 334 HB2 GLU 64 HB2 GLU 64 8.510 -0.407 9.367 335 HB3 GLU 64 HB3 GLU 64 8.690 -0.296 7.629 336 HG2 GLU 64 HG2 GLU 64 10.814 0.851 9.446 337 HG3 GLU 64 HG3 GLU 64 10.751 -0.881 9.147 338 H LYS 65 H LYS 65 8.082 1.691 6.085 339 HA LYS 65 HA LYS 65 10.211 3.553 5.482 340 HB2 LYS 65 HB2 LYS 65 8.055 2.270 3.759 341 HB3 LYS 65 HB3 LYS 65 9.341 3.295 3.117 342 HG2 LYS 65 HG2 LYS 65 11.044 1.736 3.777 343 HG3 LYS 65 HG3 LYS 65 9.892 0.793 4.731 344 HD2 LYS 65 HD2 LYS 65 8.692 0.166 2.644 345 HD3 LYS 65 HD3 LYS 65 9.881 1.079 1.704 346 HE2 LYS 65 HE2 LYS 65 10.380 -1.330 1.710 347 HE3 LYS 65 HE3 LYS 65 11.670 -0.405 2.477 348 HZ1 LYS 65 HZ1 LYS 65 9.552 -1.947 3.872 349 HZ2 LYS 65 HZ2 LYS 65 10.733 -1.013 4.638 350 HZ3 LYS 65 HZ3 LYS 65 11.183 -2.372 3.736 351 H GLY 66 H GLY 66 7.192 4.123 6.752 352 HA2 GLY 66 HA2 GLY 66 6.453 6.267 7.347 353 HA3 GLY 66 HA3 GLY 66 7.370 6.953 6.017 354 H ALA 67 H ALA 67 5.853 4.539 4.502 355 HA ALA 67 HA ALA 67 4.164 6.199 3.022 356 HB1 ALA 67 HB1 ALA 67 5.141 4.131 2.141 357 HB2 ALA 67 HB2 ALA 67 3.392 4.160 1.904 358 HB3 ALA 67 HB3 ALA 67 4.096 3.176 3.193 359 H ASP 68 H ASP 68 2.084 6.683 3.053 360 HA ASP 68 HA ASP 68 0.497 6.215 5.437 361 HB2 ASP 68 HB2 ASP 68 -0.019 7.860 2.924 362 HB3 ASP 68 HB3 ASP 68 -1.089 7.823 4.327 363 H VAL 69 H VAL 69 0.420 5.361 1.965 364 HA VAL 69 HA VAL 69 -1.912 3.594 2.524 365 HB VAL 69 HB VAL 69 -1.440 5.260 -0.007 366 HG11 VAL 69 HG11 VAL 69 -3.555 4.305 -0.882 367 HG12 VAL 69 HG12 VAL 69 -3.674 3.241 0.522 368 HG13 VAL 69 HG13 VAL 69 -2.354 3.038 -0.630 369 HG21 VAL 69 HG21 VAL 69 -2.383 6.547 1.873 370 HG22 VAL 69 HG22 VAL 69 -3.698 5.379 2.033 371 HG23 VAL 69 HG23 VAL 69 -3.560 6.364 0.573 372 H VAL 70 H VAL 70 -1.876 1.600 1.683 373 HA VAL 70 HA VAL 70 0.417 0.637 0.091 374 HB VAL 70 HB VAL 70 -1.265 -1.132 1.945 375 HG11 VAL 70 HG11 VAL 70 0.691 -2.640 1.838 376 HG12 VAL 70 HG12 VAL 70 1.521 -1.495 0.782 377 HG13 VAL 70 HG13 VAL 70 0.048 -2.297 0.231 378 HG21 VAL 70 HG21 VAL 70 -0.303 0.573 3.412 379 HG22 VAL 70 HG22 VAL 70 1.302 0.283 2.738 380 HG23 VAL 70 HG23 VAL 70 0.498 -0.980 3.672 381 H VAL 71 H VAL 71 -0.336 0.289 -1.934 382 HA VAL 71 HA VAL 71 -3.230 0.051 -2.405 383 HB VAL 71 HB VAL 71 -1.011 0.860 -4.343 384 HG11 VAL 71 HG11 VAL 71 -2.918 -0.148 -5.544 385 HG12 VAL 71 HG12 VAL 71 -2.872 1.591 -5.837 386 HG13 VAL 71 HG13 VAL 71 -4.041 0.920 -4.698 387 HG21 VAL 71 HG21 VAL 71 -1.326 2.519 -2.559 388 HG22 VAL 71 HG22 VAL 71 -3.062 2.562 -2.882 389 HG23 VAL 71 HG23 VAL 71 -1.924 3.146 -4.098 390 H LEU 72 H LEU 72 -3.651 -2.112 -2.291 391 HA LEU 72 HA LEU 72 -2.200 -4.172 -3.555 392 HB2 LEU 72 HB2 LEU 72 -5.153 -4.034 -2.834 393 HB3 LEU 72 HB3 LEU 72 -4.344 -5.483 -3.411 394 HG LEU 72 HG LEU 72 -3.909 -4.069 -0.750 395 HD11 LEU 72 HD11 LEU 72 -4.545 -6.259 0.203 396 HD12 LEU 72 HD12 LEU 72 -4.782 -6.906 -1.422 397 HD13 LEU 72 HD13 LEU 72 -5.822 -5.610 -0.826 398 HD21 LEU 72 HD21 LEU 72 -1.681 -4.689 -1.551 399 HD22 LEU 72 HD22 LEU 72 -2.231 -6.326 -1.916 400 HD23 LEU 72 HD23 LEU 72 -2.166 -5.765 -0.243 401 H THR 73 H THR 73 -1.638 -3.389 -5.601 402 HA THR 73 HA THR 73 -3.557 -3.231 -7.734 403 HB THR 73 HB THR 73 -1.403 -3.829 -9.138 404 HG1 THR 73 HG1 THR 73 0.088 -2.849 -7.001 405 HG21 THR 73 HG21 THR 73 -2.361 -1.552 -9.038 406 HG22 THR 73 HG22 THR 73 -0.598 -1.484 -8.984 407 HG23 THR 73 HG23 THR 73 -1.533 -1.258 -7.506 408 H SER 74 H SER 74 -1.936 -5.794 -5.966 409 HA SER 74 HA SER 74 -3.043 -8.000 -7.364 410 HB2 SER 74 HB2 SER 74 -2.939 -9.113 -5.072 411 HB3 SER 74 HB3 SER 74 -1.413 -8.405 -5.597 412 HG SER 74 HG SER 74 -3.215 -6.955 -3.974 413 H GLY 75 H GLY 75 -5.174 -8.406 -7.704 414 HA2 GLY 75 HA2 GLY 75 -7.138 -6.491 -7.138 415 HA3 GLY 75 HA3 GLY 75 -7.430 -8.078 -7.811 416 H GLN 76 H GLN 76 -6.062 -8.812 -4.955 417 HA GLN 76 HA GLN 76 -6.682 -9.470 -2.885 418 HB2 GLN 76 HB2 GLN 76 -7.196 -6.960 -2.713 419 HB3 GLN 76 HB3 GLN 76 -8.877 -7.355 -3.034 420 HG2 GLN 76 HG2 GLN 76 -8.720 -8.875 -0.944 421 HG3 GLN 76 HG3 GLN 76 -7.222 -8.015 -0.583 422 HE21 GLN 76 HE21 GLN 76 -7.366 -5.698 -0.228 423 HE22 GLN 76 HE22 GLN 76 -8.846 -4.976 0.299 424 H THR 77 H THR 77 -7.844 -10.613 -5.291 425 HA THR 77 HA THR 77 -10.571 -11.229 -5.090 426 HB THR 77 HB THR 77 -9.265 -11.422 -7.157 427 HG1 THR 77 HG1 THR 77 -11.165 -12.584 -7.081 428 HG21 THR 77 HG21 THR 77 -7.822 -13.364 -7.611 429 HG22 THR 77 HG22 THR 77 -8.008 -13.912 -5.946 430 HG23 THR 77 HG23 THR 77 -7.166 -12.398 -6.287 431 H GLU 78 H GLU 78 -7.897 -12.422 -3.327 432 HA GLU 78 HA GLU 78 -7.538 -13.912 -1.699 433 HB2 GLU 78 HB2 GLU 78 -9.633 -12.565 -0.892 434 HB3 GLU 78 HB3 GLU 78 -10.541 -14.028 -1.223 435 HG2 GLU 78 HG2 GLU 78 -8.188 -13.861 0.677 436 HG3 GLU 78 HG3 GLU 78 -9.868 -13.703 1.169 437 H ASN 79 H ASN 79 -7.069 -15.145 -3.759 438 HA ASN 79 HA ASN 79 -7.816 -17.860 -3.540 439 HB2 ASN 79 HB2 ASN 79 -9.927 -17.095 -4.611 440 HB3 ASN 79 HB3 ASN 79 -9.009 -16.371 -5.926 441 HD21 ASN 79 HD21 ASN 79 -10.182 -17.630 -7.415 442 HD22 ASN 79 HD22 ASN 79 -9.867 -19.315 -7.634 443 H LYS 80 H LYS 80 -6.726 -15.316 -5.789 444 HA LYS 80 HA LYS 80 -4.332 -16.826 -6.506 445 HB2 LYS 80 HB2 LYS 80 -6.099 -17.631 -8.070 446 HB3 LYS 80 HB3 LYS 80 -6.410 -15.974 -8.573 447 HG2 LYS 80 HG2 LYS 80 -4.068 -15.858 -9.474 448 HG3 LYS 80 HG3 LYS 80 -3.863 -17.564 -9.055 449 HD2 LYS 80 HD2 LYS 80 -5.704 -18.176 -10.574 450 HD3 LYS 80 HD3 LYS 80 -5.968 -16.475 -10.968 451 HE2 LYS 80 HE2 LYS 80 -3.674 -16.385 -11.975 452 HE3 LYS 80 HE3 LYS 80 -3.475 -18.102 -11.615 453 HZ1 LYS 80 HZ1 LYS 80 -5.541 -16.939 -13.397 454 HZ2 LYS 80 HZ2 LYS 80 -5.358 -18.584 -13.048 455 HZ3 LYS 80 HZ3 LYS 80 -4.148 -17.756 -13.888 456 H ILE 81 H ILE 81 -3.394 -15.005 -5.326 457 HA ILE 81 HA ILE 81 -2.718 -12.833 -7.198 458 HB ILE 81 HB ILE 81 -2.532 -11.151 -5.380 459 HG12 ILE 81 HG12 ILE 81 -3.890 -13.208 -3.575 460 HG13 ILE 81 HG13 ILE 81 -2.223 -12.672 -3.430 461 HG21 ILE 81 HG21 ILE 81 -4.578 -11.153 -6.737 462 HG22 ILE 81 HG22 ILE 81 -4.923 -10.606 -5.098 463 HG23 ILE 81 HG23 ILE 81 -5.364 -12.243 -5.592 464 HD11 ILE 81 HD11 ILE 81 -4.689 -10.995 -2.994 465 HD12 ILE 81 HD12 ILE 81 -3.028 -10.410 -2.879 466 HD13 ILE 81 HD13 ILE 81 -3.614 -11.634 -1.751 467 H HIS 82 H HIS 82 -0.576 -12.190 -7.127 468 HA HIS 82 HA HIS 82 1.295 -13.944 -5.693 469 HB2 HIS 82 HB2 HIS 82 3.047 -12.948 -7.144 470 HB3 HIS 82 HB3 HIS 82 1.727 -13.630 -8.081 471 HD1 HIS 82 HD1 HIS 82 0.464 -12.046 -9.644 472 HD2 HIS 82 HD2 HIS 82 3.205 -10.083 -7.214 473 HE1 HIS 82 HE1 HIS 82 0.662 -9.725 -10.589 474 HE2 HIS 82 HE2 HIS 82 2.242 -8.528 -9.048 475 H GLY 83 H GLY 83 -0.235 -11.042 -5.127 476 HA2 GLY 83 HA2 GLY 83 -0.158 -9.697 -3.279 477 HA3 GLY 83 HA3 GLY 83 1.160 -10.676 -2.669 478 H THR 84 H THR 84 0.531 -8.225 -5.203 479 HA THR 84 HA THR 84 3.009 -6.826 -4.396 480 HB THR 84 HB THR 84 2.578 -5.603 -6.721 481 HG1 THR 84 HG1 THR 84 0.703 -6.560 -7.377 482 HG21 THR 84 HG21 THR 84 4.615 -6.873 -6.227 483 HG22 THR 84 HG22 THR 84 4.054 -7.223 -7.863 484 HG23 THR 84 HG23 THR 84 3.777 -8.393 -6.572 485 H ALA 85 H ALA 85 2.870 -4.775 -3.736 486 HA ALA 85 HA ALA 85 0.350 -3.297 -3.860 487 HB1 ALA 85 HB1 ALA 85 1.769 -3.949 -1.253 488 HB2 ALA 85 HB2 ALA 85 0.228 -4.627 -1.785 489 HB3 ALA 85 HB3 ALA 85 0.357 -2.902 -1.439 490 H ASP 86 H ASP 86 0.770 -1.230 -4.309 491 HA ASP 86 HA ASP 86 3.529 -0.248 -4.342 492 HB2 ASP 86 HB2 ASP 86 0.933 0.947 -5.427 493 HB3 ASP 86 HB3 ASP 86 2.535 1.641 -5.648 494 H ILE 87 H ILE 87 4.297 1.220 -2.865 495 HA ILE 87 HA ILE 87 2.416 2.079 -0.753 496 HB ILE 87 HB ILE 87 4.426 2.463 0.651 497 HG12 ILE 87 HG12 ILE 87 6.010 1.298 -1.694 498 HG13 ILE 87 HG13 ILE 87 6.113 2.958 -1.127 499 HG21 ILE 87 HG21 ILE 87 4.968 0.065 0.969 500 HG22 ILE 87 HG22 ILE 87 4.262 -0.302 -0.606 501 HG23 ILE 87 HG23 ILE 87 3.242 0.311 0.698 502 HD11 ILE 87 HD11 ILE 87 8.013 1.661 -0.399 503 HD12 ILE 87 HD12 ILE 87 6.954 0.498 0.394 504 HD13 ILE 87 HD13 ILE 87 7.053 2.156 0.997 505 H TYR 88 H TYR 88 2.081 4.139 -0.219 506 HA TYR 88 HA TYR 88 3.088 6.282 -1.979 507 HB2 TYR 88 HB2 TYR 88 0.208 5.494 -1.419 508 HB3 TYR 88 HB3 TYR 88 0.620 7.129 -1.911 509 HD1 TYR 88 HD2 TYR 88 0.727 3.575 -3.018 510 HD2 TYR 88 HD1 TYR 88 0.983 7.655 -4.239 511 HE1 TYR 88 HE2 TYR 88 0.561 2.889 -5.366 512 HE2 TYR 88 HE1 TYR 88 0.826 6.958 -6.596 513 HH TYR 88 HH TYR 88 -0.151 3.842 -7.519 514 H LYS 89 H LYS 89 2.926 8.317 -1.155 515 HA LYS 89 HA LYS 89 2.684 8.641 1.768 516 HB2 LYS 89 HB2 LYS 89 4.493 9.946 -0.307 517 HB3 LYS 89 HB3 LYS 89 4.167 10.759 1.215 518 HG2 LYS 89 HG2 LYS 89 5.445 8.025 0.915 519 HG3 LYS 89 HG3 LYS 89 6.292 9.530 1.274 520 HD2 LYS 89 HD2 LYS 89 4.197 8.212 3.032 521 HD3 LYS 89 HD3 LYS 89 5.938 8.161 3.303 522 HE2 LYS 89 HE2 LYS 89 5.998 10.548 3.728 523 HE3 LYS 89 HE3 LYS 89 4.307 10.723 3.252 524 HZ1 LYS 89 HZ1 LYS 89 4.539 10.696 5.629 525 HZ2 LYS 89 HZ2 LYS 89 5.308 9.191 5.576 526 HZ3 LYS 89 HZ3 LYS 89 3.689 9.331 5.114 527 H LYS 90 H LYS 90 1.388 10.241 2.519 528 HA LYS 90 HA LYS 90 -0.598 11.370 0.800 529 HB2 LYS 90 HB2 LYS 90 -0.867 10.654 3.272 530 HB3 LYS 90 HB3 LYS 90 -0.085 12.176 3.704 531 HG2 LYS 90 HG2 LYS 90 -1.884 13.393 2.472 532 HG3 LYS 90 HG3 LYS 90 -2.657 11.846 2.130 533 HD2 LYS 90 HD2 LYS 90 -2.952 11.456 4.564 534 HD3 LYS 90 HD3 LYS 90 -2.202 13.018 4.908 535 HE2 LYS 90 HE2 LYS 90 -4.811 12.523 3.446 536 HE3 LYS 90 HE3 LYS 90 -4.604 13.271 5.030 537 HZ1 LYS 90 HZ1 LYS 90 -4.986 14.935 3.387 538 HZ2 LYS 90 HZ2 LYS 90 -3.730 14.354 2.421 539 HZ3 LYS 90 HZ3 LYS 90 -3.383 15.068 3.914 540 H LYS 91 H LYS 91 -0.566 13.286 -0.179 541 HA LYS 91 HA LYS 91 1.841 14.839 -0.287 542 HB2 LYS 91 HB2 LYS 91 -0.886 15.169 -1.620 543 HB3 LYS 91 HB3 LYS 91 0.476 16.247 -1.923 544 HG2 LYS 91 HG2 LYS 91 1.786 14.443 -2.868 545 HG3 LYS 91 HG3 LYS 91 0.567 13.256 -2.395 546 HD2 LYS 91 HD2 LYS 91 0.434 13.760 -4.798 547 HD3 LYS 91 HD3 LYS 91 -1.043 14.237 -3.959 548 HE2 LYS 91 HE2 LYS 91 -0.215 16.602 -3.938 549 HE3 LYS 91 HE3 LYS 91 1.189 16.092 -4.880 550 HZ1 LYS 91 HZ1 LYS 91 -0.272 15.416 -6.644 551 HZ2 LYS 91 HZ2 LYS 91 -0.574 17.026 -6.239 552 HZ3 LYS 91 HZ3 LYS 91 -1.635 15.817 -5.727 553 H LEU 92 H LEU 92 2.078 15.615 1.788 554 HA LEU 92 HA LEU 92 0.104 17.369 3.013 555 HB2 LEU 92 HB2 LEU 92 2.872 16.543 3.972 556 HB3 LEU 92 HB3 LEU 92 1.673 17.413 4.918 557 HG LEU 92 HG LEU 92 1.444 14.534 3.945 558 HD11 LEU 92 HD11 LEU 92 1.771 15.627 6.758 559 HD12 LEU 92 HD12 LEU 92 3.001 14.771 5.823 560 HD13 LEU 92 HD13 LEU 92 1.536 13.931 6.322 561 HD21 LEU 92 HD21 LEU 92 -0.555 16.129 5.591 562 HD22 LEU 92 HD22 LEU 92 -0.651 14.401 5.247 563 HD23 LEU 92 HD23 LEU 92 -0.786 15.565 3.932 564 H GLU 93 H GLU 93 0.240 18.907 1.221 565 HA GLU 93 HA GLU 93 2.038 21.057 1.973 566 HB2 GLU 93 HB2 GLU 93 3.299 19.900 0.142 567 HB3 GLU 93 HB3 GLU 93 1.933 20.153 -0.939 568 HG2 GLU 93 HG2 GLU 93 3.635 21.816 -1.399 569 HG3 GLU 93 HG3 GLU 93 2.223 22.610 -0.708 570 H HIS 94 H HIS 94 1.053 22.928 1.943 571 HA HIS 94 HA HIS 94 -1.312 23.482 0.288 572 HB2 HIS 94 HB2 HIS 94 -1.269 23.650 3.345 573 HB3 HIS 94 HB3 HIS 94 -2.485 24.457 2.353 574 HD1 HIS 94 HD1 HIS 94 -1.931 21.362 4.121 575 HD2 HIS 94 HD2 HIS 94 -3.919 22.461 0.636 576 HE1 HIS 94 HE1 HIS 94 -3.460 19.443 3.577 577 HE2 HIS 94 HE2 HIS 94 -4.479 20.045 1.361 578 H HIS 95 H HIS 95 1.197 24.302 -0.166 579 HA HIS 95 HA HIS 95 1.161 27.212 0.347 580 HB2 HIS 95 HB2 HIS 95 2.789 26.168 1.912 581 HB3 HIS 95 HB3 HIS 95 3.594 25.370 0.572 582 HD1 HIS 95 HD1 HIS 95 3.748 28.352 2.627 583 HD2 HIS 95 HD2 HIS 95 4.943 27.319 -1.221 584 HE1 HIS 95 HE1 HIS 95 5.510 30.024 1.994 585 HE2 HIS 95 HE2 HIS 95 6.154 29.433 -0.362 586 H HIS 96 H HIS 96 0.577 27.807 -1.714 587 HA HIS 96 HA HIS 96 1.614 26.591 -4.101 588 HB2 HIS 96 HB2 HIS 96 -0.643 27.780 -3.930 589 HB3 HIS 96 HB3 HIS 96 0.230 29.307 -3.873 590 HD1 HIS 96 HD1 HIS 96 -1.469 27.210 -6.191 591 HD2 HIS 96 HD2 HIS 96 1.989 29.506 -6.383 592 HE1 HIS 96 HE1 HIS 96 -1.069 27.622 -8.639 593 HE2 HIS 96 HE2 HIS 96 0.872 29.213 -8.693 594 H HIS 97 H HIS 97 3.443 27.071 -5.139 595 HA HIS 97 HA HIS 97 4.989 29.494 -4.440 596 HB2 HIS 97 HB2 HIS 97 7.065 28.120 -4.451 597 HB3 HIS 97 HB3 HIS 97 5.954 27.612 -3.187 598 HD1 HIS 97 HD1 HIS 97 4.911 25.247 -3.398 599 HD2 HIS 97 HD2 HIS 97 7.572 26.184 -6.459 600 HE1 HIS 97 HE1 HIS 97 5.405 23.072 -4.557 601 HE2 HIS 97 HE2 HIS 97 7.100 23.642 -6.324 602 H HIS 98 H HIS 98 6.492 30.156 -6.023 603 HA HIS 98 HA HIS 98 6.694 28.973 -8.622 604 HB2 HIS 98 HB2 HIS 98 5.696 30.809 -9.943 605 HB3 HIS 98 HB3 HIS 98 4.479 30.061 -8.918 606 HD1 HIS 98 HD1 HIS 98 6.126 33.316 -9.613 607 HD2 HIS 98 HD2 HIS 98 3.625 31.695 -6.709 608 HE1 HIS 98 HE1 HIS 98 5.158 35.282 -8.374 609 HE2 HIS 98 HE2 HIS 98 3.504 34.281 -6.774 610 H HIS 99 H HIS 99 7.869 30.764 -10.134 611 HA HIS 99 HA HIS 99 9.509 32.664 -8.704 612 HB2 HIS 99 HB2 HIS 99 10.749 30.540 -8.236 613 HB3 HIS 99 HB3 HIS 99 10.889 30.245 -9.969 614 HD1 HIS 99 HD1 HIS 99 12.852 31.311 -11.140 615 HD2 HIS 99 HD2 HIS 99 12.230 32.893 -7.342 616 HE1 HIS 99 HE1 HIS 99 14.847 32.780 -10.686 617 HE2 HIS 99 HE2 HIS 99 14.481 33.673 -8.361 Start of MODEL 9 1 H1 ALA 22 H1 ALA 22 0.646 3.085 8.352 2 H2 ALA 22 H2 ALA 22 -0.159 4.354 7.575 3 H3 ALA 22 H3 ALA 22 1.486 4.095 7.285 4 HA ALA 22 HA ALA 22 0.214 3.321 5.434 5 HB1 ALA 22 HB1 ALA 22 2.271 2.126 6.007 6 HB2 ALA 22 HB2 ALA 22 1.072 1.009 5.360 7 HB3 ALA 22 HB3 ALA 22 1.373 1.066 7.094 8 H GLU 23 H GLU 23 -1.616 2.253 4.609 9 HA GLU 23 HA GLU 23 -3.463 0.818 6.398 10 HB2 GLU 23 HB2 GLU 23 -5.351 2.334 5.817 11 HB3 GLU 23 HB3 GLU 23 -4.078 3.189 6.679 12 HG2 GLU 23 HG2 GLU 23 -3.220 3.956 4.393 13 HG3 GLU 23 HG3 GLU 23 -4.729 3.342 3.723 14 H ILE 24 H ILE 24 -4.818 -0.619 5.279 15 HA ILE 24 HA ILE 24 -4.041 -1.290 2.572 16 HB ILE 24 HB ILE 24 -6.079 -2.540 4.469 17 HG12 ILE 24 HG12 ILE 24 -3.708 -2.880 5.084 18 HG13 ILE 24 HG13 ILE 24 -4.436 -4.399 4.584 19 HG21 ILE 24 HG21 ILE 24 -6.899 -2.929 2.194 20 HG22 ILE 24 HG22 ILE 24 -6.267 -4.432 2.862 21 HG23 ILE 24 HG23 ILE 24 -5.315 -3.522 1.687 22 HD11 ILE 24 HD11 ILE 24 -2.587 -2.676 2.932 23 HD12 ILE 24 HD12 ILE 24 -3.339 -4.178 2.390 24 HD13 ILE 24 HD13 ILE 24 -2.184 -4.201 3.721 25 H MET 25 H MET 25 -4.787 -0.233 0.904 26 HA MET 25 HA MET 25 -7.663 0.416 0.647 27 HB2 MET 25 HB2 MET 25 -5.272 2.010 -0.398 28 HB3 MET 25 HB3 MET 25 -6.946 2.333 -0.828 29 HG2 MET 25 HG2 MET 25 -7.435 2.829 1.561 30 HG3 MET 25 HG3 MET 25 -5.731 2.572 1.936 31 HE1 MET 25 HE1 MET 25 -7.083 4.342 -1.362 32 HE2 MET 25 HE2 MET 25 -7.250 5.996 -0.775 33 HE3 MET 25 HE3 MET 25 -8.283 4.723 -0.127 34 H LYS 26 H LYS 26 -8.602 -0.327 -1.204 35 HA LYS 26 HA LYS 26 -7.156 -2.032 -3.045 36 HB2 LYS 26 HB2 LYS 26 -10.022 -1.000 -3.096 37 HB3 LYS 26 HB3 LYS 26 -9.371 -2.199 -4.212 38 HG2 LYS 26 HG2 LYS 26 -8.947 -3.726 -2.306 39 HG3 LYS 26 HG3 LYS 26 -9.650 -2.530 -1.211 40 HD2 LYS 26 HD2 LYS 26 -11.804 -2.693 -2.446 41 HD3 LYS 26 HD3 LYS 26 -11.094 -3.920 -3.498 42 HE2 LYS 26 HE2 LYS 26 -10.754 -5.388 -1.511 43 HE3 LYS 26 HE3 LYS 26 -11.529 -4.165 -0.499 44 HZ1 LYS 26 HZ1 LYS 26 -13.070 -5.884 -1.108 45 HZ2 LYS 26 HZ2 LYS 26 -12.787 -5.632 -2.746 46 HZ3 LYS 26 HZ3 LYS 26 -13.543 -4.430 -1.826 47 H LYS 27 H LYS 27 -7.245 -1.672 -5.409 48 HA LYS 27 HA LYS 27 -5.884 0.760 -5.973 49 HB2 LYS 27 HB2 LYS 27 -5.553 -1.641 -6.956 50 HB3 LYS 27 HB3 LYS 27 -6.832 -1.225 -8.082 51 HG2 LYS 27 HG2 LYS 27 -4.277 0.394 -7.793 52 HG3 LYS 27 HG3 LYS 27 -4.443 -0.954 -8.916 53 HD2 LYS 27 HD2 LYS 27 -6.272 0.225 -10.079 54 HD3 LYS 27 HD3 LYS 27 -6.138 1.570 -8.945 55 HE2 LYS 27 HE2 LYS 27 -3.855 2.032 -9.763 56 HE3 LYS 27 HE3 LYS 27 -3.975 0.666 -10.880 57 HZ1 LYS 27 HZ1 LYS 27 -4.437 2.768 -11.965 58 HZ2 LYS 27 HZ2 LYS 27 -5.712 3.075 -10.895 59 HZ3 LYS 27 HZ3 LYS 27 -5.808 1.777 -11.975 60 H THR 28 H THR 28 -9.077 -0.524 -6.993 61 HA THR 28 HA THR 28 -9.911 1.564 -8.698 62 HB THR 28 HB THR 28 -11.749 -0.138 -6.940 63 HG1 THR 28 HG1 THR 28 -11.680 -1.367 -9.138 64 HG21 THR 28 HG21 THR 28 -12.230 1.104 -9.680 65 HG22 THR 28 HG22 THR 28 -12.898 1.706 -8.161 66 HG23 THR 28 HG23 THR 28 -13.379 0.122 -8.777 67 H ASP 29 H ASP 29 -10.427 1.050 -5.233 68 HA ASP 29 HA ASP 29 -11.943 3.359 -4.629 69 HB2 ASP 29 HB2 ASP 29 -11.868 1.444 -3.106 70 HB3 ASP 29 HB3 ASP 29 -10.129 1.615 -2.900 71 H PHE 30 H PHE 30 -8.491 2.678 -4.609 72 HA PHE 30 HA PHE 30 -7.544 5.041 -3.434 73 HB2 PHE 30 HB2 PHE 30 -6.135 3.055 -3.559 74 HB3 PHE 30 HB3 PHE 30 -6.181 3.076 -5.321 75 HD1 PHE 30 HD1 PHE 30 -5.027 4.999 -2.352 76 HD2 PHE 30 HD2 PHE 30 -4.580 4.349 -6.553 77 HE1 PHE 30 HE1 PHE 30 -3.072 6.459 -2.379 78 HE2 PHE 30 HE2 PHE 30 -2.617 5.823 -6.566 79 HZ PHE 30 HZ PHE 30 -1.869 6.872 -4.473 80 H ASP 31 H ASP 31 -8.172 4.215 -6.855 81 HA ASP 31 HA ASP 31 -6.921 6.258 -8.224 82 HB2 ASP 31 HB2 ASP 31 -9.555 4.870 -8.789 83 HB3 ASP 31 HB3 ASP 31 -8.933 6.101 -9.881 84 H LYS 32 H LYS 32 -10.036 6.419 -6.610 85 HA LYS 32 HA LYS 32 -10.940 8.925 -7.534 86 HB2 LYS 32 HB2 LYS 32 -11.581 7.521 -4.906 87 HB3 LYS 32 HB3 LYS 32 -12.546 8.796 -5.653 88 HG2 LYS 32 HG2 LYS 32 -13.004 7.331 -7.586 89 HG3 LYS 32 HG3 LYS 32 -12.026 6.058 -6.857 90 HD2 LYS 32 HD2 LYS 32 -13.620 5.895 -4.979 91 HD3 LYS 32 HD3 LYS 32 -14.585 7.201 -5.674 92 HE2 LYS 32 HE2 LYS 32 -15.052 5.791 -7.666 93 HE3 LYS 32 HE3 LYS 32 -14.089 4.486 -6.966 94 HZ1 LYS 32 HZ1 LYS 32 -16.440 4.151 -6.584 95 HZ2 LYS 32 HZ2 LYS 32 -16.556 5.642 -5.796 96 HZ3 LYS 32 HZ3 LYS 32 -15.639 4.399 -5.115 97 H VAL 33 H VAL 33 -8.608 8.141 -5.065 98 HA VAL 33 HA VAL 33 -8.374 10.995 -4.265 99 HB VAL 33 HB VAL 33 -7.529 10.173 -2.030 100 HG11 VAL 33 HG11 VAL 33 -9.738 9.612 -1.071 101 HG12 VAL 33 HG12 VAL 33 -10.374 9.329 -2.693 102 HG13 VAL 33 HG13 VAL 33 -9.851 10.947 -2.219 103 HG21 VAL 33 HG21 VAL 33 -7.994 7.837 -1.343 104 HG22 VAL 33 HG22 VAL 33 -6.848 7.893 -2.681 105 HG23 VAL 33 HG23 VAL 33 -8.532 7.454 -2.979 106 H ALA 34 H ALA 34 -6.973 9.169 -6.357 107 HA ALA 34 HA ALA 34 -4.379 8.496 -5.500 108 HB1 ALA 34 HB1 ALA 34 -5.238 9.268 -8.306 109 HB2 ALA 34 HB2 ALA 34 -5.384 7.665 -7.585 110 HB3 ALA 34 HB3 ALA 34 -3.789 8.355 -7.877 111 H SER 35 H SER 35 -5.617 11.561 -6.709 112 HA SER 35 HA SER 35 -3.210 12.950 -7.178 113 HB2 SER 35 HB2 SER 35 -5.896 14.096 -6.314 114 HB3 SER 35 HB3 SER 35 -4.596 14.985 -7.117 115 HG SER 35 HG SER 35 -6.544 13.482 -8.191 116 H GLU 36 H GLU 36 -4.663 12.026 -4.186 117 HA GLU 36 HA GLU 36 -3.415 14.120 -2.584 118 HB2 GLU 36 HB2 GLU 36 -5.041 11.673 -1.809 119 HB3 GLU 36 HB3 GLU 36 -4.460 12.872 -0.663 120 HG2 GLU 36 HG2 GLU 36 -6.461 13.306 -2.891 121 HG3 GLU 36 HG3 GLU 36 -6.799 13.266 -1.159 122 H TYR 37 H TYR 37 -2.133 11.405 -4.043 123 HA TYR 37 HA TYR 37 -0.238 10.918 -1.807 124 HB2 TYR 37 HB2 TYR 37 -1.634 8.732 -3.408 125 HB3 TYR 37 HB3 TYR 37 -0.403 8.472 -2.172 126 HD1 TYR 37 HD1 TYR 37 -0.944 9.276 0.231 127 HD2 TYR 37 HD2 TYR 37 -3.953 8.862 -2.766 128 HE1 TYR 37 HE1 TYR 37 -2.670 9.307 1.972 129 HE2 TYR 37 HE2 TYR 37 -5.681 8.853 -1.024 130 HH TYR 37 HH TYR 37 -5.883 8.357 1.381 131 H THR 38 H THR 38 1.830 10.209 -2.379 132 HA THR 38 HA THR 38 2.638 10.435 -5.218 133 HB THR 38 HB THR 38 4.983 10.852 -4.206 134 HG1 THR 38 HG1 THR 38 4.818 10.346 -2.108 135 HG21 THR 38 HG21 THR 38 4.618 13.243 -3.815 136 HG22 THR 38 HG22 THR 38 2.886 12.969 -3.662 137 HG23 THR 38 HG23 THR 38 3.684 12.699 -5.211 138 H LYS 39 H LYS 39 3.470 8.690 -6.144 139 HA LYS 39 HA LYS 39 3.624 6.152 -4.811 140 HB2 LYS 39 HB2 LYS 39 2.896 6.718 -7.242 141 HB3 LYS 39 HB3 LYS 39 4.603 6.825 -7.621 142 HG2 LYS 39 HG2 LYS 39 3.356 4.331 -6.447 143 HG3 LYS 39 HG3 LYS 39 3.380 4.650 -8.179 144 HD2 LYS 39 HD2 LYS 39 5.893 4.780 -8.049 145 HD3 LYS 39 HD3 LYS 39 5.778 4.283 -6.357 146 HE2 LYS 39 HE2 LYS 39 6.292 2.433 -8.006 147 HE3 LYS 39 HE3 LYS 39 4.910 2.142 -6.949 148 HZ1 LYS 39 HZ1 LYS 39 4.441 1.517 -9.226 149 HZ2 LYS 39 HZ2 LYS 39 4.757 3.085 -9.767 150 HZ3 LYS 39 HZ3 LYS 39 3.438 2.789 -8.743 151 H ILE 40 H ILE 40 5.306 5.787 -3.446 152 HA ILE 40 HA ILE 40 7.912 7.065 -3.994 153 HB ILE 40 HB ILE 40 8.488 6.630 -1.634 154 HG12 ILE 40 HG12 ILE 40 5.665 5.487 -1.353 155 HG13 ILE 40 HG13 ILE 40 7.145 4.541 -1.288 156 HG21 ILE 40 HG21 ILE 40 6.923 8.235 -0.597 157 HG22 ILE 40 HG22 ILE 40 5.799 8.022 -1.940 158 HG23 ILE 40 HG23 ILE 40 7.382 8.751 -2.221 159 HD11 ILE 40 HD11 ILE 40 6.259 4.898 0.924 160 HD12 ILE 40 HD12 ILE 40 6.274 6.644 0.690 161 HD13 ILE 40 HD13 ILE 40 7.795 5.751 0.763 162 H GLY 41 H GLY 41 6.386 4.053 -4.278 163 HA2 GLY 41 HA2 GLY 41 8.392 2.714 -5.549 164 HA3 GLY 41 HA3 GLY 41 8.673 2.347 -3.846 165 H THR 42 H THR 42 8.276 0.198 -5.099 166 HA THR 42 HA THR 42 5.538 -0.641 -4.320 167 HB THR 42 HB THR 42 7.124 -1.929 -6.602 168 HG1 THR 42 HG1 THR 42 5.038 0.014 -6.695 169 HG21 THR 42 HG21 THR 42 5.408 -3.394 -5.545 170 HG22 THR 42 HG22 THR 42 4.934 -2.960 -7.189 171 HG23 THR 42 HG23 THR 42 4.179 -2.154 -5.812 172 H ILE 43 H ILE 43 5.587 -2.242 -2.809 173 HA ILE 43 HA ILE 43 8.066 -3.814 -2.382 174 HB ILE 43 HB ILE 43 7.387 -4.148 -0.030 175 HG12 ILE 43 HG12 ILE 43 5.065 -2.232 -0.576 176 HG13 ILE 43 HG13 ILE 43 4.891 -3.971 -0.394 177 HG21 ILE 43 HG21 ILE 43 8.852 -2.235 -0.527 178 HG22 ILE 43 HG22 ILE 43 7.797 -1.869 0.838 179 HG23 ILE 43 HG23 ILE 43 7.444 -1.193 -0.753 180 HD11 ILE 43 HD11 ILE 43 5.805 -2.031 1.724 181 HD12 ILE 43 HD12 ILE 43 5.702 -3.781 1.927 182 HD13 ILE 43 HD13 ILE 43 4.242 -2.840 1.628 183 H SER 44 H SER 44 7.613 -5.946 -1.361 184 HA SER 44 HA SER 44 5.002 -7.144 -1.939 185 HB2 SER 44 HB2 SER 44 7.657 -8.362 -2.835 186 HB3 SER 44 HB3 SER 44 6.087 -9.156 -2.923 187 HG SER 44 HG SER 44 5.778 -6.848 -4.122 188 H THR 45 H THR 45 4.800 -9.255 -0.852 189 HA THR 45 HA THR 45 5.596 -9.081 1.901 190 HB THR 45 HB THR 45 4.275 -11.251 2.074 191 HG1 THR 45 HG1 THR 45 3.506 -12.155 0.292 192 HG21 THR 45 HG21 THR 45 2.848 -8.933 0.737 193 HG22 THR 45 HG22 THR 45 3.179 -9.082 2.465 194 HG23 THR 45 HG23 THR 45 2.084 -10.218 1.674 195 H THR 46 H THR 46 6.461 -10.990 3.072 196 HA THR 46 HA THR 46 8.670 -12.299 1.714 197 HB THR 46 HB THR 46 7.656 -12.738 4.564 198 HG1 THR 46 HG1 THR 46 8.942 -10.601 3.395 199 HG21 THR 46 HG21 THR 46 9.256 -14.478 3.752 200 HG22 THR 46 HG22 THR 46 9.963 -13.489 5.030 201 HG23 THR 46 HG23 THR 46 10.417 -13.209 3.347 202 H GLY 47 H GLY 47 7.458 -13.448 0.117 203 HA2 GLY 47 HA2 GLY 47 7.011 -15.624 -0.646 204 HA3 GLY 47 HA3 GLY 47 6.640 -16.119 0.998 205 H GLU 48 H GLU 48 4.964 -17.151 -0.636 206 HA GLU 48 HA GLU 48 2.667 -15.483 -1.269 207 HB2 GLU 48 HB2 GLU 48 3.095 -18.487 -1.540 208 HB3 GLU 48 HB3 GLU 48 1.624 -17.652 -2.033 209 HG2 GLU 48 HG2 GLU 48 3.054 -18.171 -3.945 210 HG3 GLU 48 HG3 GLU 48 2.857 -16.429 -3.749 211 H MET 49 H MET 49 1.775 -14.766 0.586 212 HA MET 49 HA MET 49 0.890 -16.733 2.617 213 HB2 MET 49 HB2 MET 49 1.347 -13.726 2.917 214 HB3 MET 49 HB3 MET 49 0.775 -14.804 4.183 215 HG2 MET 49 HG2 MET 49 2.920 -16.081 3.993 216 HG3 MET 49 HG3 MET 49 3.497 -14.851 2.872 217 HE1 MET 49 HE1 MET 49 2.253 -12.174 4.200 218 HE2 MET 49 HE2 MET 49 3.902 -12.296 3.581 219 HE3 MET 49 HE3 MET 49 3.613 -11.682 5.207 220 H SER 50 H SER 50 -1.183 -16.550 3.461 221 HA SER 50 HA SER 50 -3.305 -16.087 1.657 222 HB2 SER 50 HB2 SER 50 -4.713 -16.472 3.764 223 HB3 SER 50 HB3 SER 50 -3.546 -17.740 3.392 224 HG SER 50 HG SER 50 -3.368 -15.707 5.357 225 HA PRO 51 HA PRO 51 -4.092 -11.936 1.278 226 HB2 PRO 51 HB2 PRO 51 -6.791 -11.473 2.000 227 HB3 PRO 51 HB3 PRO 51 -6.235 -12.110 0.438 228 HG2 PRO 51 HG2 PRO 51 -7.201 -13.606 2.846 229 HG3 PRO 51 HG3 PRO 51 -7.579 -13.874 1.125 230 HD2 PRO 51 HD2 PRO 51 -5.822 -15.456 2.335 231 HD3 PRO 51 HD3 PRO 51 -5.474 -14.867 0.693 232 H LEU 52 H LEU 52 -5.268 -12.916 4.502 233 HA LEU 52 HA LEU 52 -5.259 -10.268 5.622 234 HB2 LEU 52 HB2 LEU 52 -6.571 -12.286 6.467 235 HB3 LEU 52 HB3 LEU 52 -5.078 -12.915 7.124 236 HG LEU 52 HG LEU 52 -6.627 -11.805 8.797 237 HD11 LEU 52 HD11 LEU 52 -4.929 -10.638 10.070 238 HD12 LEU 52 HD12 LEU 52 -3.905 -10.494 8.640 239 HD13 LEU 52 HD13 LEU 52 -4.238 -12.083 9.331 240 HD21 LEU 52 HD21 LEU 52 -6.751 -9.364 8.901 241 HD22 LEU 52 HD22 LEU 52 -7.427 -9.965 7.391 242 HD23 LEU 52 HD23 LEU 52 -5.822 -9.235 7.406 243 H ASP 53 H ASP 53 -3.011 -13.027 5.811 244 HA ASP 53 HA ASP 53 -1.015 -11.854 7.431 245 HB2 ASP 53 HB2 ASP 53 -0.723 -14.051 5.330 246 HB3 ASP 53 HB3 ASP 53 0.482 -13.656 6.552 247 H ALA 54 H ALA 54 -1.487 -11.949 3.969 248 HA ALA 54 HA ALA 54 0.834 -10.653 3.074 249 HB1 ALA 54 HB1 ALA 54 -1.960 -10.621 1.854 250 HB2 ALA 54 HB2 ALA 54 -0.723 -11.846 1.573 251 HB3 ALA 54 HB3 ALA 54 -0.459 -10.196 1.015 252 H ARG 55 H ARG 55 -2.393 -9.334 3.837 253 HA ARG 55 HA ARG 55 -1.970 -6.615 3.376 254 HB2 ARG 55 HB2 ARG 55 -3.819 -8.106 5.250 255 HB3 ARG 55 HB3 ARG 55 -3.820 -6.347 5.224 256 HG2 ARG 55 HG2 ARG 55 -4.499 -6.357 2.867 257 HG3 ARG 55 HG3 ARG 55 -4.435 -8.125 2.843 258 HD2 ARG 55 HD2 ARG 55 -6.756 -7.190 3.142 259 HD3 ARG 55 HD3 ARG 55 -6.257 -8.281 4.435 260 HE ARG 55 HE ARG 55 -5.622 -5.601 5.126 261 HH11 ARG 55 HH11 ARG 55 -8.419 -7.699 4.905 262 HH12 ARG 55 HH12 ARG 55 -9.308 -6.815 6.105 263 HH21 ARG 55 HH21 ARG 55 -6.794 -4.504 6.726 264 HH22 ARG 55 HH22 ARG 55 -8.401 -5.032 7.123 265 H GLU 56 H GLU 56 -1.483 -8.486 6.351 266 HA GLU 56 HA GLU 56 -0.929 -6.366 8.140 267 HB2 GLU 56 HB2 GLU 56 -1.576 -8.807 8.665 268 HB3 GLU 56 HB3 GLU 56 0.091 -9.242 8.353 269 HG2 GLU 56 HG2 GLU 56 -0.748 -7.277 10.503 270 HG3 GLU 56 HG3 GLU 56 -0.569 -9.003 10.783 271 H ASP 57 H ASP 57 1.175 -8.533 6.308 272 HA ASP 57 HA ASP 57 3.687 -7.579 7.170 273 HB2 ASP 57 HB2 ASP 57 3.270 -9.772 6.057 274 HB3 ASP 57 HB3 ASP 57 2.945 -8.943 4.543 275 H LEU 58 H LEU 58 1.643 -6.744 4.401 276 HA LEU 58 HA LEU 58 3.419 -4.969 3.094 277 HB2 LEU 58 HB2 LEU 58 0.398 -5.231 2.976 278 HB3 LEU 58 HB3 LEU 58 1.304 -4.131 1.949 279 HG LEU 58 HG LEU 58 1.637 -7.152 1.976 280 HD11 LEU 58 HD11 LEU 58 0.251 -5.407 -0.074 281 HD12 LEU 58 HD12 LEU 58 -0.519 -6.558 1.022 282 HD13 LEU 58 HD13 LEU 58 0.573 -7.135 -0.234 283 HD21 LEU 58 HD21 LEU 58 2.905 -5.085 0.148 284 HD22 LEU 58 HD22 LEU 58 3.024 -6.833 -0.050 285 HD23 LEU 58 HD23 LEU 58 3.736 -6.060 1.361 286 H ILE 59 H ILE 59 0.736 -4.322 5.406 287 HA ILE 59 HA ILE 59 1.007 -1.527 5.596 288 HB ILE 59 HB ILE 59 0.204 -3.492 7.796 289 HG12 ILE 59 HG12 ILE 59 -1.528 -1.716 6.016 290 HG13 ILE 59 HG13 ILE 59 -1.319 -3.454 5.825 291 HG21 ILE 59 HG21 ILE 59 -0.098 -0.449 7.822 292 HG22 ILE 59 HG22 ILE 59 0.962 -1.402 8.862 293 HG23 ILE 59 HG23 ILE 59 -0.785 -1.554 9.017 294 HD11 ILE 59 HD11 ILE 59 -3.426 -2.939 6.896 295 HD12 ILE 59 HD12 ILE 59 -2.593 -2.072 8.183 296 HD13 ILE 59 HD13 ILE 59 -2.375 -3.816 8.009 297 H LYS 60 H LYS 60 2.609 -4.118 7.444 298 HA LYS 60 HA LYS 60 3.941 -2.505 9.321 299 HB2 LYS 60 HB2 LYS 60 3.593 -4.957 9.556 300 HB3 LYS 60 HB3 LYS 60 4.747 -5.246 8.258 301 HG2 LYS 60 HG2 LYS 60 6.549 -4.278 9.636 302 HG3 LYS 60 HG3 LYS 60 5.390 -3.959 10.932 303 HD2 LYS 60 HD2 LYS 60 4.959 -6.396 11.126 304 HD3 LYS 60 HD3 LYS 60 6.140 -6.698 9.847 305 HE2 LYS 60 HE2 LYS 60 7.911 -5.684 11.284 306 HE3 LYS 60 HE3 LYS 60 6.719 -5.465 12.568 307 HZ1 LYS 60 HZ1 LYS 60 7.547 -8.054 11.395 308 HZ2 LYS 60 HZ2 LYS 60 6.414 -7.853 12.635 309 HZ3 LYS 60 HZ3 LYS 60 8.035 -7.446 12.890 310 H LYS 61 H LYS 61 5.270 -4.058 6.368 311 HA LYS 61 HA LYS 61 7.816 -2.885 6.410 312 HB2 LYS 61 HB2 LYS 61 6.165 -4.048 4.147 313 HB3 LYS 61 HB3 LYS 61 7.763 -3.370 3.854 314 HG2 LYS 61 HG2 LYS 61 8.741 -4.993 5.450 315 HG3 LYS 61 HG3 LYS 61 7.141 -5.687 5.711 316 HD2 LYS 61 HD2 LYS 61 7.022 -6.472 3.420 317 HD3 LYS 61 HD3 LYS 61 8.478 -5.574 2.979 318 HE2 LYS 61 HE2 LYS 61 8.939 -7.987 3.228 319 HE3 LYS 61 HE3 LYS 61 9.839 -7.040 4.414 320 HZ1 LYS 61 HZ1 LYS 61 7.296 -8.469 4.938 321 HZ2 LYS 61 HZ2 LYS 61 8.226 -7.633 6.077 322 HZ3 LYS 61 HZ3 LYS 61 8.831 -9.037 5.355 323 H ALA 62 H ALA 62 4.855 -1.835 4.673 324 HA ALA 62 HA ALA 62 5.963 0.401 3.348 325 HB1 ALA 62 HB1 ALA 62 3.648 1.158 3.029 326 HB2 ALA 62 HB2 ALA 62 3.089 0.019 4.257 327 HB3 ALA 62 HB3 ALA 62 3.778 -0.577 2.745 328 H ASP 63 H ASP 63 4.643 0.061 6.604 329 HA ASP 63 HA ASP 63 4.489 2.881 7.172 330 HB2 ASP 63 HB2 ASP 63 3.130 1.029 8.310 331 HB3 ASP 63 HB3 ASP 63 4.588 0.605 9.199 332 H GLU 64 H GLU 64 6.803 0.256 7.859 333 HA GLU 64 HA GLU 64 8.796 1.768 9.185 334 HB2 GLU 64 HB2 GLU 64 9.072 -0.690 7.406 335 HB3 GLU 64 HB3 GLU 64 10.368 -0.049 8.413 336 HG2 GLU 64 HG2 GLU 64 9.081 -0.525 10.429 337 HG3 GLU 64 HG3 GLU 64 7.713 -1.065 9.459 338 H LYS 65 H LYS 65 7.979 1.426 5.766 339 HA LYS 65 HA LYS 65 10.262 3.048 4.879 340 HB2 LYS 65 HB2 LYS 65 7.917 2.024 3.224 341 HB3 LYS 65 HB3 LYS 65 9.420 2.694 2.606 342 HG2 LYS 65 HG2 LYS 65 8.981 0.017 3.940 343 HG3 LYS 65 HG3 LYS 65 9.582 0.341 2.315 344 HD2 LYS 65 HD2 LYS 65 11.679 1.242 3.250 345 HD3 LYS 65 HD3 LYS 65 11.075 1.004 4.891 346 HE2 LYS 65 HE2 LYS 65 10.948 -1.473 4.394 347 HE3 LYS 65 HE3 LYS 65 11.749 -1.149 2.856 348 HZ1 LYS 65 HZ1 LYS 65 13.302 -1.855 4.549 349 HZ2 LYS 65 HZ2 LYS 65 12.860 -0.559 5.541 350 HZ3 LYS 65 HZ3 LYS 65 13.635 -0.269 4.068 351 H GLY 66 H GLY 66 7.515 3.889 6.446 352 HA2 GLY 66 HA2 GLY 66 6.743 6.014 6.920 353 HA3 GLY 66 HA3 GLY 66 7.841 6.660 5.717 354 H ALA 67 H ALA 67 5.895 4.267 4.335 355 HA ALA 67 HA ALA 67 4.310 6.076 2.797 356 HB1 ALA 67 HB1 ALA 67 3.288 4.043 1.841 357 HB2 ALA 67 HB2 ALA 67 4.070 3.061 3.085 358 HB3 ALA 67 HB3 ALA 67 5.050 3.913 1.894 359 H ASP 68 H ASP 68 2.185 6.626 2.972 360 HA ASP 68 HA ASP 68 0.861 6.144 5.555 361 HB2 ASP 68 HB2 ASP 68 0.293 8.178 3.359 362 HB3 ASP 68 HB3 ASP 68 -0.642 8.030 4.846 363 H VAL 69 H VAL 69 0.564 5.403 2.137 364 HA VAL 69 HA VAL 69 -1.861 3.804 2.722 365 HB VAL 69 HB VAL 69 -1.367 5.577 0.294 366 HG11 VAL 69 HG11 VAL 69 -3.436 3.334 0.442 367 HG12 VAL 69 HG12 VAL 69 -2.063 3.412 -0.663 368 HG13 VAL 69 HG13 VAL 69 -3.374 4.579 -0.809 369 HG21 VAL 69 HG21 VAL 69 -3.631 6.428 0.826 370 HG22 VAL 69 HG22 VAL 69 -2.542 6.595 2.201 371 HG23 VAL 69 HG23 VAL 69 -3.740 5.300 2.181 372 H VAL 70 H VAL 70 -1.942 1.847 1.976 373 HA VAL 70 HA VAL 70 0.274 0.657 0.412 374 HB VAL 70 HB VAL 70 -1.635 -0.734 2.372 375 HG11 VAL 70 HG11 VAL 70 0.944 -1.736 1.118 376 HG12 VAL 70 HG12 VAL 70 -0.688 -2.239 0.675 377 HG13 VAL 70 HG13 VAL 70 -0.054 -2.616 2.278 378 HG21 VAL 70 HG21 VAL 70 -0.257 0.834 3.645 379 HG22 VAL 70 HG22 VAL 70 1.209 0.169 2.925 380 HG23 VAL 70 HG23 VAL 70 0.221 -0.829 3.991 381 H VAL 71 H VAL 71 -0.528 0.527 -1.649 382 HA VAL 71 HA VAL 71 -3.385 0.089 -2.166 383 HB VAL 71 HB VAL 71 -1.094 0.625 -4.118 384 HG11 VAL 71 HG11 VAL 71 -2.858 1.113 -5.793 385 HG12 VAL 71 HG12 VAL 71 -4.101 0.644 -4.631 386 HG13 VAL 71 HG13 VAL 71 -2.959 -0.558 -5.231 387 HG21 VAL 71 HG21 VAL 71 -1.484 2.541 -2.627 388 HG22 VAL 71 HG22 VAL 71 -3.200 2.532 -3.034 389 HG23 VAL 71 HG23 VAL 71 -2.002 2.917 -4.272 390 H LEU 72 H LEU 72 -4.125 -1.922 -2.427 391 HA LEU 72 HA LEU 72 -2.482 -4.235 -2.781 392 HB2 LEU 72 HB2 LEU 72 -5.494 -3.923 -3.116 393 HB3 LEU 72 HB3 LEU 72 -4.641 -5.457 -3.068 394 HG LEU 72 HG LEU 72 -4.902 -3.484 -0.758 395 HD11 LEU 72 HD11 LEU 72 -6.983 -4.700 -1.190 396 HD12 LEU 72 HD12 LEU 72 -6.252 -5.234 0.321 397 HD13 LEU 72 HD13 LEU 72 -6.122 -6.241 -1.123 398 HD21 LEU 72 HD21 LEU 72 -3.769 -5.184 0.635 399 HD22 LEU 72 HD22 LEU 72 -2.711 -4.593 -0.643 400 HD23 LEU 72 HD23 LEU 72 -3.479 -6.174 -0.799 401 H THR 73 H THR 73 -1.268 -3.543 -4.676 402 HA THR 73 HA THR 73 -2.644 -3.536 -7.257 403 HB THR 73 HB THR 73 -0.814 -1.891 -6.852 404 HG1 THR 73 HG1 THR 73 -1.215 -3.385 -8.989 405 HG21 THR 73 HG21 THR 73 1.542 -2.598 -6.882 406 HG22 THR 73 HG22 THR 73 1.053 -4.293 -6.897 407 HG23 THR 73 HG23 THR 73 0.717 -3.292 -5.484 408 H SER 74 H SER 74 -1.420 -5.814 -5.144 409 HA SER 74 HA SER 74 -0.413 -7.884 -6.726 410 HB2 SER 74 HB2 SER 74 -0.608 -7.867 -4.185 411 HB3 SER 74 HB3 SER 74 -2.329 -8.200 -4.362 412 HG SER 74 HG SER 74 -1.162 -10.015 -5.810 413 H GLY 75 H GLY 75 -3.669 -6.678 -6.260 414 HA2 GLY 75 HA2 GLY 75 -5.693 -7.160 -7.204 415 HA3 GLY 75 HA3 GLY 75 -4.882 -8.245 -8.335 416 H GLN 76 H GLN 76 -7.045 -8.147 -5.811 417 HA GLN 76 HA GLN 76 -6.357 -10.605 -4.464 418 HB2 GLN 76 HB2 GLN 76 -7.739 -8.758 -3.413 419 HB3 GLN 76 HB3 GLN 76 -9.058 -9.197 -4.491 420 HG2 GLN 76 HG2 GLN 76 -9.117 -11.465 -3.477 421 HG3 GLN 76 HG3 GLN 76 -7.817 -10.994 -2.380 422 HE21 GLN 76 HE21 GLN 76 -8.277 -9.457 -0.739 423 HE22 GLN 76 HE22 GLN 76 -9.892 -9.139 -0.219 424 H THR 77 H THR 77 -5.969 -11.812 -6.373 425 HA THR 77 HA THR 77 -8.177 -12.705 -8.047 426 HB THR 77 HB THR 77 -6.028 -12.288 -9.124 427 HG1 THR 77 HG1 THR 77 -7.365 -14.527 -9.391 428 HG21 THR 77 HG21 THR 77 -4.838 -14.447 -7.362 429 HG22 THR 77 HG22 THR 77 -4.490 -12.721 -7.251 430 HG23 THR 77 HG23 THR 77 -4.012 -13.626 -8.690 431 H GLU 78 H GLU 78 -6.664 -13.574 -5.118 432 HA GLU 78 HA GLU 78 -7.346 -14.904 -3.452 433 HB2 GLU 78 HB2 GLU 78 -9.661 -14.668 -4.465 434 HB3 GLU 78 HB3 GLU 78 -9.376 -16.145 -5.356 435 HG2 GLU 78 HG2 GLU 78 -9.356 -16.044 -2.330 436 HG3 GLU 78 HG3 GLU 78 -10.827 -16.302 -3.256 437 H ASN 79 H ASN 79 -7.443 -16.914 -6.437 438 HA ASN 79 HA ASN 79 -6.803 -19.342 -5.239 439 HB2 ASN 79 HB2 ASN 79 -7.861 -19.132 -7.457 440 HB3 ASN 79 HB3 ASN 79 -6.377 -18.469 -8.123 441 HD21 ASN 79 HD21 ASN 79 -6.140 -20.078 -9.658 442 HD22 ASN 79 HD22 ASN 79 -5.749 -21.714 -9.264 443 H LYS 80 H LYS 80 -4.620 -17.277 -7.204 444 HA LYS 80 HA LYS 80 -2.325 -18.293 -5.627 445 HB2 LYS 80 HB2 LYS 80 -2.241 -19.363 -7.833 446 HB3 LYS 80 HB3 LYS 80 -2.396 -17.805 -8.637 447 HG2 LYS 80 HG2 LYS 80 -0.210 -17.115 -7.729 448 HG3 LYS 80 HG3 LYS 80 -0.054 -18.663 -6.904 449 HD2 LYS 80 HD2 LYS 80 -0.260 -18.353 -9.923 450 HD3 LYS 80 HD3 LYS 80 1.262 -18.483 -9.041 451 HE2 LYS 80 HE2 LYS 80 0.576 -20.726 -8.219 452 HE3 LYS 80 HE3 LYS 80 -0.919 -20.595 -9.149 453 HZ1 LYS 80 HZ1 LYS 80 1.805 -20.521 -10.311 454 HZ2 LYS 80 HZ2 LYS 80 0.343 -20.536 -11.166 455 HZ3 LYS 80 HZ3 LYS 80 0.814 -21.887 -10.264 456 H ILE 81 H ILE 81 -1.998 -16.602 -4.346 457 HA ILE 81 HA ILE 81 -1.448 -13.932 -5.518 458 HB ILE 81 HB ILE 81 -2.113 -12.952 -3.312 459 HG12 ILE 81 HG12 ILE 81 -3.164 -15.744 -2.638 460 HG13 ILE 81 HG13 ILE 81 -1.698 -15.051 -1.959 461 HG21 ILE 81 HG21 ILE 81 -4.561 -13.148 -3.572 462 HG22 ILE 81 HG22 ILE 81 -4.347 -14.559 -4.612 463 HG23 ILE 81 HG23 ILE 81 -3.765 -12.980 -5.139 464 HD11 ILE 81 HD11 ILE 81 -3.480 -14.900 -0.387 465 HD12 ILE 81 HD12 ILE 81 -4.509 -14.075 -1.557 466 HD13 ILE 81 HD13 ILE 81 -3.063 -13.275 -0.932 467 H HIS 82 H HIS 82 -0.019 -12.657 -3.820 468 HA HIS 82 HA HIS 82 1.394 -14.304 -1.897 469 HB2 HIS 82 HB2 HIS 82 3.668 -13.316 -2.506 470 HB3 HIS 82 HB3 HIS 82 3.050 -14.541 -3.588 471 HD1 HIS 82 HD1 HIS 82 2.312 -13.748 -5.985 472 HD2 HIS 82 HD2 HIS 82 4.182 -10.815 -3.692 473 HE1 HIS 82 HE1 HIS 82 3.030 -11.972 -7.614 474 HE2 HIS 82 HE2 HIS 82 4.140 -10.203 -6.211 475 H GLY 83 H GLY 83 1.090 -11.061 -3.323 476 HA2 GLY 83 HA2 GLY 83 -0.020 -9.405 -1.822 477 HA3 GLY 83 HA3 GLY 83 1.155 -9.876 -0.604 478 H THR 84 H THR 84 0.819 -8.440 -3.805 479 HA THR 84 HA THR 84 3.340 -6.936 -3.476 480 HB THR 84 HB THR 84 1.538 -6.909 -5.951 481 HG1 THR 84 HG1 THR 84 2.293 -8.798 -6.539 482 HG21 THR 84 HG21 THR 84 3.629 -6.399 -7.140 483 HG22 THR 84 HG22 THR 84 4.543 -6.525 -5.637 484 HG23 THR 84 HG23 THR 84 3.374 -5.217 -5.849 485 H ALA 85 H ALA 85 3.243 -4.753 -3.009 486 HA ALA 85 HA ALA 85 0.627 -3.380 -3.131 487 HB1 ALA 85 HB1 ALA 85 1.020 -4.075 -0.825 488 HB2 ALA 85 HB2 ALA 85 1.091 -2.318 -0.971 489 HB3 ALA 85 HB3 ALA 85 2.581 -3.258 -0.824 490 H ASP 86 H ASP 86 0.704 -1.501 -4.139 491 HA ASP 86 HA ASP 86 3.242 -0.182 -4.770 492 HB2 ASP 86 HB2 ASP 86 0.732 -0.292 -6.046 493 HB3 ASP 86 HB3 ASP 86 0.692 1.299 -5.305 494 H ILE 87 H ILE 87 4.104 1.329 -3.342 495 HA ILE 87 HA ILE 87 2.385 2.050 -1.045 496 HB ILE 87 HB ILE 87 4.466 2.474 0.247 497 HG12 ILE 87 HG12 ILE 87 5.959 1.177 -2.082 498 HG13 ILE 87 HG13 ILE 87 6.021 2.893 -1.706 499 HG21 ILE 87 HG21 ILE 87 4.209 -0.326 -0.914 500 HG22 ILE 87 HG22 ILE 87 3.274 0.338 0.427 501 HG23 ILE 87 HG23 ILE 87 5.009 0.088 0.605 502 HD11 ILE 87 HD11 ILE 87 6.992 0.665 0.081 503 HD12 ILE 87 HD12 ILE 87 7.087 2.392 0.434 504 HD13 ILE 87 HD13 ILE 87 7.994 1.715 -0.918 505 H TYR 88 H TYR 88 2.026 4.029 -0.446 506 HA TYR 88 HA TYR 88 2.991 6.267 -2.109 507 HB2 TYR 88 HB2 TYR 88 0.144 5.471 -1.429 508 HB3 TYR 88 HB3 TYR 88 0.544 7.140 -1.813 509 HD1 TYR 88 HD2 TYR 88 0.594 3.667 -3.227 510 HD2 TYR 88 HD1 TYR 88 0.773 7.849 -4.079 511 HE1 TYR 88 HE2 TYR 88 0.321 3.206 -5.626 512 HE2 TYR 88 HE1 TYR 88 0.502 7.383 -6.466 513 HH TYR 88 HH TYR 88 -0.536 4.455 -7.650 514 H LYS 89 H LYS 89 3.170 8.200 -1.093 515 HA LYS 89 HA LYS 89 2.689 8.277 1.831 516 HB2 LYS 89 HB2 LYS 89 5.080 8.491 1.172 517 HB3 LYS 89 HB3 LYS 89 4.692 9.894 0.181 518 HG2 LYS 89 HG2 LYS 89 4.231 11.250 2.047 519 HG3 LYS 89 HG3 LYS 89 3.980 9.866 3.108 520 HD2 LYS 89 HD2 LYS 89 6.503 9.381 2.777 521 HD3 LYS 89 HD3 LYS 89 6.600 11.025 2.128 522 HE2 LYS 89 HE2 LYS 89 7.132 10.907 4.564 523 HE3 LYS 89 HE3 LYS 89 5.746 11.946 4.225 524 HZ1 LYS 89 HZ1 LYS 89 5.351 10.492 6.118 525 HZ2 LYS 89 HZ2 LYS 89 5.593 9.134 5.152 526 HZ3 LYS 89 HZ3 LYS 89 4.277 10.141 4.863 527 H LYS 90 H LYS 90 1.434 9.904 2.639 528 HA LYS 90 HA LYS 90 -0.421 11.092 0.823 529 HB2 LYS 90 HB2 LYS 90 -1.069 10.180 3.018 530 HB3 LYS 90 HB3 LYS 90 -0.138 11.432 3.831 531 HG2 LYS 90 HG2 LYS 90 -1.681 13.110 3.290 532 HG3 LYS 90 HG3 LYS 90 -2.343 12.218 1.925 533 HD2 LYS 90 HD2 LYS 90 -3.918 12.329 3.851 534 HD3 LYS 90 HD3 LYS 90 -3.488 10.679 3.411 535 HE2 LYS 90 HE2 LYS 90 -1.850 10.648 5.296 536 HE3 LYS 90 HE3 LYS 90 -2.400 12.258 5.767 537 HZ1 LYS 90 HZ1 LYS 90 -4.587 11.375 6.151 538 HZ2 LYS 90 HZ2 LYS 90 -3.459 10.474 7.029 539 HZ3 LYS 90 HZ3 LYS 90 -4.115 9.844 5.604 540 H LYS 91 H LYS 91 -0.187 12.877 -0.225 541 HA LYS 91 HA LYS 91 1.858 14.798 0.149 542 HB2 LYS 91 HB2 LYS 91 -0.720 15.077 -1.460 543 HB3 LYS 91 HB3 LYS 91 0.726 16.066 -1.638 544 HG2 LYS 91 HG2 LYS 91 1.974 14.010 -2.347 545 HG3 LYS 91 HG3 LYS 91 0.455 13.117 -2.277 546 HD2 LYS 91 HD2 LYS 91 0.910 13.736 -4.580 547 HD3 LYS 91 HD3 LYS 91 -0.490 14.647 -4.012 548 HE2 LYS 91 HE2 LYS 91 0.903 16.640 -3.689 549 HE3 LYS 91 HE3 LYS 91 2.349 15.740 -4.146 550 HZ1 LYS 91 HZ1 LYS 91 0.027 16.248 -5.920 551 HZ2 LYS 91 HZ2 LYS 91 1.473 15.492 -6.353 552 HZ3 LYS 91 HZ3 LYS 91 1.470 17.125 -5.934 553 H LEU 92 H LEU 92 1.857 15.905 1.988 554 HA LEU 92 HA LEU 92 -0.470 17.594 2.680 555 HB2 LEU 92 HB2 LEU 92 1.670 16.466 4.539 556 HB3 LEU 92 HB3 LEU 92 0.374 17.550 5.019 557 HG LEU 92 HG LEU 92 -0.063 14.736 3.935 558 HD11 LEU 92 HD11 LEU 92 -0.640 14.070 6.216 559 HD12 LEU 92 HD12 LEU 92 -0.201 15.674 6.808 560 HD13 LEU 92 HD13 LEU 92 1.033 14.621 6.113 561 HD21 LEU 92 HD21 LEU 92 -2.041 16.676 5.181 562 HD22 LEU 92 HD22 LEU 92 -2.391 15.011 4.710 563 HD23 LEU 92 HD23 LEU 92 -1.972 16.203 3.482 564 H GLU 93 H GLU 93 0.203 19.245 1.328 565 HA GLU 93 HA GLU 93 2.887 20.078 0.966 566 HB2 GLU 93 HB2 GLU 93 1.080 20.410 -0.716 567 HB3 GLU 93 HB3 GLU 93 0.323 21.595 0.341 568 HG2 GLU 93 HG2 GLU 93 1.554 22.711 -1.430 569 HG3 GLU 93 HG3 GLU 93 2.306 23.054 0.128 570 H HIS 94 H HIS 94 0.276 22.154 2.268 571 HA HIS 94 HA HIS 94 2.190 23.402 4.140 572 HB2 HIS 94 HB2 HIS 94 -0.634 24.278 3.359 573 HB3 HIS 94 HB3 HIS 94 0.436 25.143 4.461 574 HD1 HIS 94 HD1 HIS 94 -0.335 24.687 0.894 575 HD2 HIS 94 HD2 HIS 94 2.700 26.367 3.183 576 HE1 HIS 94 HE1 HIS 94 1.032 26.059 -0.703 577 HE2 HIS 94 HE2 HIS 94 2.956 26.933 0.668 578 H HIS 95 H HIS 95 2.263 21.538 5.496 579 HA HIS 95 HA HIS 95 -0.110 20.754 6.977 580 HB2 HIS 95 HB2 HIS 95 1.697 19.092 6.437 581 HB3 HIS 95 HB3 HIS 95 2.798 19.972 7.499 582 HD1 HIS 95 HD1 HIS 95 2.286 19.837 10.080 583 HD2 HIS 95 HD2 HIS 95 -0.104 17.385 7.726 584 HE1 HIS 95 HE1 HIS 95 1.172 18.250 11.672 585 HE2 HIS 95 HE2 HIS 95 -0.195 16.716 10.229 586 H HIS 96 H HIS 96 -0.411 23.114 7.412 587 HA HIS 96 HA HIS 96 1.151 24.263 9.592 588 HB2 HIS 96 HB2 HIS 96 0.481 25.721 7.738 589 HB3 HIS 96 HB3 HIS 96 -1.212 25.310 7.971 590 HD1 HIS 96 HD1 HIS 96 -2.444 26.432 9.947 591 HD2 HIS 96 HD2 HIS 96 1.497 27.673 9.475 592 HE1 HIS 96 HE1 HIS 96 -2.212 28.492 11.361 593 HE2 HIS 96 HE2 HIS 96 0.149 29.289 10.986 594 H HIS 97 H HIS 97 0.615 22.485 10.991 595 HA HIS 97 HA HIS 97 -0.369 21.531 12.774 596 HB2 HIS 97 HB2 HIS 97 0.007 23.858 13.616 597 HB3 HIS 97 HB3 HIS 97 -1.644 24.266 13.172 598 HD1 HIS 97 HD1 HIS 97 0.354 22.384 15.717 599 HD2 HIS 97 HD2 HIS 97 -3.629 23.276 14.926 600 HE1 HIS 97 HE1 HIS 97 -0.896 21.802 17.812 601 HE2 HIS 97 HE2 HIS 97 -3.326 22.131 17.223 602 H HIS 98 H HIS 98 -1.609 20.114 11.338 603 HA HIS 98 HA HIS 98 -4.301 19.931 12.298 604 HB2 HIS 98 HB2 HIS 98 -5.510 19.857 10.160 605 HB3 HIS 98 HB3 HIS 98 -4.718 21.415 10.332 606 HD1 HIS 98 HD1 HIS 98 -2.694 21.893 8.760 607 HD2 HIS 98 HD2 HIS 98 -4.722 18.355 7.946 608 HE1 HIS 98 HE1 HIS 98 -1.880 21.152 6.509 609 HE2 HIS 98 HE2 HIS 98 -3.275 19.137 5.942 610 H HIS 99 H HIS 99 -4.967 17.849 12.351 611 HA HIS 99 HA HIS 99 -3.887 15.737 10.749 612 HB2 HIS 99 HB2 HIS 99 -1.970 16.024 12.294 613 HB3 HIS 99 HB3 HIS 99 -3.040 15.888 13.687 614 HD1 HIS 99 HD1 HIS 99 -1.772 13.798 10.797 615 HD2 HIS 99 HD2 HIS 99 -3.435 13.316 14.561 616 HE1 HIS 99 HE1 HIS 99 -1.623 11.341 11.278 617 HE2 HIS 99 HE2 HIS 99 -2.879 11.062 13.440 Start of MODEL 10 1 H1 ALA 22 H1 ALA 22 0.553 1.767 8.936 2 H2 ALA 22 H2 ALA 22 -0.208 3.231 9.276 3 H3 ALA 22 H3 ALA 22 1.347 3.227 8.621 4 HA ALA 22 HA ALA 22 -0.256 3.805 6.961 5 HB1 ALA 22 HB1 ALA 22 0.928 1.034 6.587 6 HB2 ALA 22 HB2 ALA 22 1.748 2.565 6.273 7 HB3 ALA 22 HB3 ALA 22 0.363 2.091 5.289 8 H GLU 23 H GLU 23 -1.768 2.405 5.312 9 HA GLU 23 HA GLU 23 -3.699 0.747 6.781 10 HB2 GLU 23 HB2 GLU 23 -5.627 2.128 6.009 11 HB3 GLU 23 HB3 GLU 23 -4.578 3.017 7.107 12 HG2 GLU 23 HG2 GLU 23 -3.595 4.260 5.265 13 HG3 GLU 23 HG3 GLU 23 -4.474 3.289 4.085 14 H ILE 24 H ILE 24 -5.092 -0.482 5.419 15 HA ILE 24 HA ILE 24 -4.002 -1.056 2.768 16 HB ILE 24 HB ILE 24 -6.100 -2.478 4.473 17 HG12 ILE 24 HG12 ILE 24 -3.748 -2.787 5.179 18 HG13 ILE 24 HG13 ILE 24 -4.422 -4.295 4.582 19 HG21 ILE 24 HG21 ILE 24 -6.804 -2.734 2.142 20 HG22 ILE 24 HG22 ILE 24 -6.176 -4.266 2.752 21 HG23 ILE 24 HG23 ILE 24 -5.185 -3.271 1.682 22 HD11 ILE 24 HD11 ILE 24 -2.538 -2.469 3.091 23 HD12 ILE 24 HD12 ILE 24 -3.226 -3.964 2.458 24 HD13 ILE 24 HD13 ILE 24 -2.135 -4.012 3.843 25 H MET 25 H MET 25 -4.806 -0.226 1.000 26 HA MET 25 HA MET 25 -7.651 0.506 0.764 27 HB2 MET 25 HB2 MET 25 -5.243 1.957 -0.441 28 HB3 MET 25 HB3 MET 25 -6.914 2.281 -0.886 29 HG2 MET 25 HG2 MET 25 -7.393 3.021 1.414 30 HG3 MET 25 HG3 MET 25 -5.730 2.668 1.876 31 HE1 MET 25 HE1 MET 25 -6.878 6.027 -1.107 32 HE2 MET 25 HE2 MET 25 -8.064 4.982 -0.325 33 HE3 MET 25 HE3 MET 25 -6.957 4.318 -1.526 34 H LYS 26 H LYS 26 -8.617 -0.019 -1.134 35 HA LYS 26 HA LYS 26 -7.463 -2.110 -2.785 36 HB2 LYS 26 HB2 LYS 26 -10.133 -0.673 -3.140 37 HB3 LYS 26 HB3 LYS 26 -9.671 -2.246 -3.789 38 HG2 LYS 26 HG2 LYS 26 -9.637 -3.204 -1.528 39 HG3 LYS 26 HG3 LYS 26 -10.006 -1.622 -0.834 40 HD2 LYS 26 HD2 LYS 26 -12.185 -1.646 -2.089 41 HD3 LYS 26 HD3 LYS 26 -11.814 -3.288 -2.626 42 HE2 LYS 26 HE2 LYS 26 -11.798 -4.058 -0.277 43 HE3 LYS 26 HE3 LYS 26 -12.129 -2.413 0.275 44 HZ1 LYS 26 HZ1 LYS 26 -13.910 -4.074 -1.418 45 HZ2 LYS 26 HZ2 LYS 26 -14.231 -2.493 -0.922 46 HZ3 LYS 26 HZ3 LYS 26 -14.129 -3.729 0.221 47 H LYS 27 H LYS 27 -7.384 -1.890 -5.175 48 HA LYS 27 HA LYS 27 -5.771 0.324 -5.850 49 HB2 LYS 27 HB2 LYS 27 -5.847 -2.140 -6.802 50 HB3 LYS 27 HB3 LYS 27 -6.966 -1.473 -7.978 51 HG2 LYS 27 HG2 LYS 27 -4.127 -0.461 -7.529 52 HG3 LYS 27 HG3 LYS 27 -4.595 -1.620 -8.771 53 HD2 LYS 27 HD2 LYS 27 -5.980 0.047 -9.878 54 HD3 LYS 27 HD3 LYS 27 -5.691 1.209 -8.584 55 HE2 LYS 27 HE2 LYS 27 -3.312 1.317 -9.195 56 HE3 LYS 27 HE3 LYS 27 -3.569 0.113 -10.460 57 HZ1 LYS 27 HZ1 LYS 27 -4.819 2.802 -10.345 58 HZ2 LYS 27 HZ2 LYS 27 -5.094 1.647 -11.543 59 HZ3 LYS 27 HZ3 LYS 27 -3.561 2.334 -11.374 60 H THR 28 H THR 28 -9.061 -0.530 -6.933 61 HA THR 28 HA THR 28 -9.452 1.717 -8.618 62 HB THR 28 HB THR 28 -11.605 0.045 -7.246 63 HG1 THR 28 HG1 THR 28 -11.455 -1.191 -9.245 64 HG21 THR 28 HG21 THR 28 -11.676 1.626 -9.853 65 HG22 THR 28 HG22 THR 28 -12.488 2.087 -8.355 66 HG23 THR 28 HG23 THR 28 -12.987 0.631 -9.220 67 H ASP 29 H ASP 29 -10.232 1.113 -5.185 68 HA ASP 29 HA ASP 29 -11.586 3.575 -4.678 69 HB2 ASP 29 HB2 ASP 29 -10.229 1.600 -2.804 70 HB3 ASP 29 HB3 ASP 29 -11.081 3.029 -2.222 71 H PHE 30 H PHE 30 -8.205 2.645 -4.667 72 HA PHE 30 HA PHE 30 -7.132 4.999 -3.503 73 HB2 PHE 30 HB2 PHE 30 -5.647 3.121 -3.717 74 HB3 PHE 30 HB3 PHE 30 -5.926 3.001 -5.453 75 HD1 PHE 30 HD1 PHE 30 -4.630 5.413 -2.882 76 HD2 PHE 30 HD2 PHE 30 -4.348 4.022 -6.922 77 HE1 PHE 30 HE1 PHE 30 -2.764 6.929 -3.282 78 HE2 PHE 30 HE2 PHE 30 -2.462 5.559 -7.307 79 HZ PHE 30 HZ PHE 30 -1.672 7.010 -5.480 80 H ASP 31 H ASP 31 -7.747 4.048 -6.910 81 HA ASP 31 HA ASP 31 -6.624 6.231 -8.205 82 HB2 ASP 31 HB2 ASP 31 -8.985 4.530 -9.066 83 HB3 ASP 31 HB3 ASP 31 -8.221 5.717 -10.124 84 H LYS 32 H LYS 32 -9.834 5.974 -6.810 85 HA LYS 32 HA LYS 32 -11.157 8.232 -7.746 86 HB2 LYS 32 HB2 LYS 32 -11.189 7.139 -4.904 87 HB3 LYS 32 HB3 LYS 32 -12.420 8.191 -5.599 88 HG2 LYS 32 HG2 LYS 32 -13.075 6.440 -7.178 89 HG3 LYS 32 HG3 LYS 32 -11.771 5.401 -6.599 90 HD2 LYS 32 HD2 LYS 32 -12.859 5.333 -4.351 91 HD3 LYS 32 HD3 LYS 32 -14.189 6.310 -4.981 92 HE2 LYS 32 HE2 LYS 32 -14.793 4.518 -6.558 93 HE3 LYS 32 HE3 LYS 32 -13.409 3.553 -6.030 94 HZ1 LYS 32 HZ1 LYS 32 -15.703 4.368 -4.341 95 HZ2 LYS 32 HZ2 LYS 32 -14.386 3.448 -3.826 96 HZ3 LYS 32 HZ3 LYS 32 -15.449 2.826 -4.985 97 H VAL 33 H VAL 33 -8.672 8.010 -5.258 98 HA VAL 33 HA VAL 33 -8.566 10.963 -4.934 99 HB VAL 33 HB VAL 33 -7.820 10.559 -2.564 100 HG11 VAL 33 HG11 VAL 33 -10.554 9.380 -3.202 101 HG12 VAL 33 HG12 VAL 33 -10.187 11.091 -2.975 102 HG13 VAL 33 HG13 VAL 33 -10.036 9.969 -1.621 103 HG21 VAL 33 HG21 VAL 33 -8.154 8.317 -1.529 104 HG22 VAL 33 HG22 VAL 33 -6.930 8.271 -2.798 105 HG23 VAL 33 HG23 VAL 33 -8.550 7.647 -3.117 106 H ALA 34 H ALA 34 -7.058 9.011 -6.723 107 HA ALA 34 HA ALA 34 -4.554 8.277 -5.743 108 HB1 ALA 34 HB1 ALA 34 -5.251 8.973 -8.613 109 HB2 ALA 34 HB2 ALA 34 -5.481 7.407 -7.833 110 HB3 ALA 34 HB3 ALA 34 -3.852 8.030 -8.086 111 H SER 35 H SER 35 -5.498 11.325 -7.200 112 HA SER 35 HA SER 35 -2.937 12.407 -7.696 113 HB2 SER 35 HB2 SER 35 -5.582 13.845 -7.270 114 HB3 SER 35 HB3 SER 35 -4.156 14.511 -8.072 115 HG SER 35 HG SER 35 -4.684 13.475 -9.831 116 H GLU 36 H GLU 36 -4.726 12.077 -4.766 117 HA GLU 36 HA GLU 36 -3.404 14.224 -3.303 118 HB2 GLU 36 HB2 GLU 36 -5.276 11.979 -2.478 119 HB3 GLU 36 HB3 GLU 36 -4.634 13.152 -1.335 120 HG2 GLU 36 HG2 GLU 36 -6.336 13.816 -3.755 121 HG3 GLU 36 HG3 GLU 36 -6.937 13.683 -2.104 122 H TYR 37 H TYR 37 -2.303 11.256 -4.366 123 HA TYR 37 HA TYR 37 -0.419 10.955 -2.103 124 HB2 TYR 37 HB2 TYR 37 -1.890 8.661 -3.478 125 HB3 TYR 37 HB3 TYR 37 -0.629 8.477 -2.260 126 HD1 TYR 37 HD1 TYR 37 -1.070 9.537 0.064 127 HD2 TYR 37 HD2 TYR 37 -4.184 8.843 -2.779 128 HE1 TYR 37 HE1 TYR 37 -2.727 9.674 1.856 129 HE2 TYR 37 HE2 TYR 37 -5.844 8.961 -0.972 130 HH TYR 37 HH TYR 37 -5.901 8.621 1.514 131 H THR 38 H THR 38 1.614 10.355 -2.623 132 HA THR 38 HA THR 38 2.388 10.182 -5.469 133 HB THR 38 HB THR 38 3.282 12.217 -4.437 134 HG1 THR 38 HG1 THR 38 5.613 11.668 -4.657 135 HG21 THR 38 HG21 THR 38 3.257 11.594 -2.062 136 HG22 THR 38 HG22 THR 38 4.851 12.187 -2.530 137 HG23 THR 38 HG23 THR 38 4.583 10.455 -2.327 138 H LYS 39 H LYS 39 3.519 8.409 -6.104 139 HA LYS 39 HA LYS 39 3.707 6.134 -4.348 140 HB2 LYS 39 HB2 LYS 39 3.136 5.889 -6.742 141 HB3 LYS 39 HB3 LYS 39 4.719 6.515 -7.200 142 HG2 LYS 39 HG2 LYS 39 5.799 4.567 -6.116 143 HG3 LYS 39 HG3 LYS 39 4.208 3.951 -5.653 144 HD2 LYS 39 HD2 LYS 39 3.592 3.667 -8.002 145 HD3 LYS 39 HD3 LYS 39 5.114 4.402 -8.519 146 HE2 LYS 39 HE2 LYS 39 6.371 2.538 -7.509 147 HE3 LYS 39 HE3 LYS 39 4.863 1.807 -6.955 148 HZ1 LYS 39 HZ1 LYS 39 5.646 0.768 -8.951 149 HZ2 LYS 39 HZ2 LYS 39 5.652 2.242 -9.774 150 HZ3 LYS 39 HZ3 LYS 39 4.193 1.572 -9.259 151 H ILE 40 H ILE 40 5.380 5.648 -3.061 152 HA ILE 40 HA ILE 40 8.037 6.856 -3.598 153 HB ILE 40 HB ILE 40 8.600 6.427 -1.245 154 HG12 ILE 40 HG12 ILE 40 5.706 5.514 -0.849 155 HG13 ILE 40 HG13 ILE 40 7.089 4.428 -0.881 156 HG21 ILE 40 HG21 ILE 40 7.159 8.155 -0.233 157 HG22 ILE 40 HG22 ILE 40 6.002 7.980 -1.553 158 HG23 ILE 40 HG23 ILE 40 7.623 8.596 -1.878 159 HD11 ILE 40 HD11 ILE 40 6.391 4.851 1.382 160 HD12 ILE 40 HD12 ILE 40 6.560 6.589 1.152 161 HD13 ILE 40 HD13 ILE 40 7.988 5.551 1.120 162 H GLY 41 H GLY 41 6.341 3.932 -3.842 163 HA2 GLY 41 HA2 GLY 41 8.289 2.564 -5.179 164 HA3 GLY 41 HA3 GLY 41 8.559 2.121 -3.498 165 H THR 42 H THR 42 8.121 0.067 -4.877 166 HA THR 42 HA THR 42 5.360 -0.774 -4.210 167 HB THR 42 HB THR 42 7.082 -2.039 -6.413 168 HG1 THR 42 HG1 THR 42 4.883 -0.271 -6.768 169 HG21 THR 42 HG21 THR 42 5.323 -3.509 -5.434 170 HG22 THR 42 HG22 THR 42 4.970 -3.108 -7.114 171 HG23 THR 42 HG23 THR 42 4.098 -2.293 -5.813 172 H ILE 43 H ILE 43 5.310 -2.431 -2.763 173 HA ILE 43 HA ILE 43 7.779 -3.956 -2.164 174 HB ILE 43 HB ILE 43 6.830 -4.371 0.117 175 HG12 ILE 43 HG12 ILE 43 4.725 -2.290 -0.662 176 HG13 ILE 43 HG13 ILE 43 4.413 -4.002 -0.404 177 HG21 ILE 43 HG21 ILE 43 7.182 -1.424 -0.561 178 HG22 ILE 43 HG22 ILE 43 8.483 -2.574 -0.250 179 HG23 ILE 43 HG23 ILE 43 7.363 -2.145 1.043 180 HD11 ILE 43 HD11 ILE 43 3.708 -2.707 1.495 181 HD12 ILE 43 HD12 ILE 43 5.321 -2.020 1.672 182 HD13 ILE 43 HD13 ILE 43 5.058 -3.744 1.952 183 H SER 44 H SER 44 7.599 -6.183 -1.896 184 HA SER 44 HA SER 44 5.101 -7.493 -2.801 185 HB2 SER 44 HB2 SER 44 6.682 -7.226 -4.739 186 HB3 SER 44 HB3 SER 44 7.898 -8.148 -3.856 187 HG SER 44 HG SER 44 6.644 -9.973 -4.035 188 H THR 45 H THR 45 4.704 -9.444 -1.843 189 HA THR 45 HA THR 45 6.078 -10.034 0.620 190 HB THR 45 HB THR 45 4.328 -11.750 0.953 191 HG1 THR 45 HG1 THR 45 4.081 -11.495 -1.762 192 HG21 THR 45 HG21 THR 45 3.735 -9.422 1.541 193 HG22 THR 45 HG22 THR 45 2.327 -10.303 0.955 194 HG23 THR 45 HG23 THR 45 3.138 -9.153 -0.108 195 H THR 46 H THR 46 6.556 -12.345 1.153 196 HA THR 46 HA THR 46 8.641 -13.370 -0.462 197 HB THR 46 HB THR 46 8.548 -15.282 1.291 198 HG1 THR 46 HG1 THR 46 6.939 -15.259 2.690 199 HG21 THR 46 HG21 THR 46 9.413 -13.858 3.113 200 HG22 THR 46 HG22 THR 46 8.747 -12.425 2.322 201 HG23 THR 46 HG23 THR 46 10.059 -13.330 1.561 202 H GLY 47 H GLY 47 5.224 -14.061 -0.389 203 HA2 GLY 47 HA2 GLY 47 5.155 -15.430 -2.813 204 HA3 GLY 47 HA3 GLY 47 5.200 -16.664 -1.554 205 H GLU 48 H GLU 48 3.076 -17.155 -2.601 206 HA GLU 48 HA GLU 48 0.826 -15.449 -2.154 207 HB2 GLU 48 HB2 GLU 48 -0.590 -17.405 -2.802 208 HB3 GLU 48 HB3 GLU 48 0.633 -16.992 -3.984 209 HG2 GLU 48 HG2 GLU 48 0.918 -19.299 -2.035 210 HG3 GLU 48 HG3 GLU 48 0.215 -19.465 -3.637 211 H MET 49 H MET 49 0.930 -14.879 0.000 212 HA MET 49 HA MET 49 0.499 -16.933 2.061 213 HB2 MET 49 HB2 MET 49 0.951 -13.921 2.344 214 HB3 MET 49 HB3 MET 49 0.832 -15.063 3.676 215 HG2 MET 49 HG2 MET 49 2.871 -16.229 2.739 216 HG3 MET 49 HG3 MET 49 3.034 -14.895 1.602 217 HE1 MET 49 HE1 MET 49 2.129 -12.400 3.590 218 HE2 MET 49 HE2 MET 49 3.443 -12.351 2.411 219 HE3 MET 49 HE3 MET 49 3.742 -11.888 4.086 220 H SER 50 H SER 50 -1.183 -16.421 3.751 221 HA SER 50 HA SER 50 -3.805 -16.166 2.823 222 HB2 SER 50 HB2 SER 50 -2.780 -15.469 5.615 223 HB3 SER 50 HB3 SER 50 -4.443 -15.903 5.180 224 HG SER 50 HG SER 50 -3.165 -17.648 6.046 225 HA PRO 51 HA PRO 51 -4.183 -11.973 1.692 226 HB2 PRO 51 HB2 PRO 51 -6.803 -11.296 2.277 227 HB3 PRO 51 HB3 PRO 51 -6.344 -12.377 0.944 228 HG2 PRO 51 HG2 PRO 51 -7.305 -13.091 3.691 229 HG3 PRO 51 HG3 PRO 51 -7.777 -13.781 2.124 230 HD2 PRO 51 HD2 PRO 51 -6.020 -15.030 3.745 231 HD3 PRO 51 HD3 PRO 51 -5.863 -15.097 1.973 232 H LEU 52 H LEU 52 -5.529 -12.461 4.983 233 HA LEU 52 HA LEU 52 -5.184 -9.743 5.833 234 HB2 LEU 52 HB2 LEU 52 -5.497 -12.279 7.493 235 HB3 LEU 52 HB3 LEU 52 -5.489 -10.660 8.162 236 HG LEU 52 HG LEU 52 -7.761 -11.360 8.110 237 HD11 LEU 52 HD11 LEU 52 -7.460 -9.041 7.448 238 HD12 LEU 52 HD12 LEU 52 -8.864 -9.741 6.647 239 HD13 LEU 52 HD13 LEU 52 -7.362 -9.512 5.748 240 HD21 LEU 52 HD21 LEU 52 -8.941 -12.196 6.149 241 HD22 LEU 52 HD22 LEU 52 -7.572 -13.232 6.543 242 HD23 LEU 52 HD23 LEU 52 -7.461 -12.104 5.188 243 H ASP 53 H ASP 53 -3.229 -12.685 6.060 244 HA ASP 53 HA ASP 53 -1.165 -11.697 7.749 245 HB2 ASP 53 HB2 ASP 53 -1.524 -14.088 7.439 246 HB3 ASP 53 HB3 ASP 53 -1.209 -13.960 5.712 247 H ALA 54 H ALA 54 -1.623 -11.694 4.258 248 HA ALA 54 HA ALA 54 0.917 -10.660 3.505 249 HB1 ALA 54 HB1 ALA 54 -0.146 -10.210 1.317 250 HB2 ALA 54 HB2 ALA 54 -1.739 -10.532 2.013 251 HB3 ALA 54 HB3 ALA 54 -0.543 -11.825 1.898 252 H ARG 55 H ARG 55 -2.272 -9.210 4.080 253 HA ARG 55 HA ARG 55 -1.843 -6.539 3.495 254 HB2 ARG 55 HB2 ARG 55 -3.607 -7.823 5.603 255 HB3 ARG 55 HB3 ARG 55 -3.609 -6.085 5.313 256 HG2 ARG 55 HG2 ARG 55 -4.410 -6.416 3.032 257 HG3 ARG 55 HG3 ARG 55 -4.326 -8.171 3.230 258 HD2 ARG 55 HD2 ARG 55 -5.996 -8.066 5.028 259 HD3 ARG 55 HD3 ARG 55 -6.052 -6.308 4.885 260 HE ARG 55 HE ARG 55 -6.823 -8.029 2.624 261 HH11 ARG 55 HH11 ARG 55 -7.627 -5.526 4.943 262 HH12 ARG 55 HH12 ARG 55 -9.152 -5.159 4.198 263 HH21 ARG 55 HH21 ARG 55 -8.865 -7.601 1.720 264 HH22 ARG 55 HH22 ARG 55 -9.849 -6.332 2.377 265 H GLU 56 H GLU 56 -1.562 -8.063 6.742 266 HA GLU 56 HA GLU 56 -0.753 -5.703 8.078 267 HB2 GLU 56 HB2 GLU 56 -0.394 -8.617 8.867 268 HB3 GLU 56 HB3 GLU 56 -0.098 -7.255 9.947 269 HG2 GLU 56 HG2 GLU 56 -2.487 -6.587 9.704 270 HG3 GLU 56 HG3 GLU 56 -2.756 -8.009 8.698 271 H ASP 57 H ASP 57 1.094 -8.208 6.430 272 HA ASP 57 HA ASP 57 3.694 -7.463 7.380 273 HB2 ASP 57 HB2 ASP 57 3.306 -9.675 6.426 274 HB3 ASP 57 HB3 ASP 57 2.773 -8.978 4.902 275 H LEU 58 H LEU 58 1.772 -6.627 4.533 276 HA LEU 58 HA LEU 58 3.643 -4.913 3.255 277 HB2 LEU 58 HB2 LEU 58 0.620 -5.122 2.996 278 HB3 LEU 58 HB3 LEU 58 1.635 -4.165 1.926 279 HG LEU 58 HG LEU 58 1.969 -7.172 2.259 280 HD11 LEU 58 HD11 LEU 58 -0.259 -6.760 1.368 281 HD12 LEU 58 HD12 LEU 58 0.786 -7.481 0.148 282 HD13 LEU 58 HD13 LEU 58 0.418 -5.756 0.084 283 HD21 LEU 58 HD21 LEU 58 3.250 -7.068 0.170 284 HD22 LEU 58 HD22 LEU 58 3.971 -6.028 1.396 285 HD23 LEU 58 HD23 LEU 58 3.016 -5.320 0.092 286 H ILE 59 H ILE 59 0.894 -4.231 5.441 287 HA ILE 59 HA ILE 59 1.116 -1.461 5.708 288 HB ILE 59 HB ILE 59 0.334 -3.474 7.879 289 HG12 ILE 59 HG12 ILE 59 -1.475 -1.862 6.026 290 HG13 ILE 59 HG13 ILE 59 -1.107 -3.569 5.826 291 HG21 ILE 59 HG21 ILE 59 -0.202 -0.475 7.772 292 HG22 ILE 59 HG22 ILE 59 0.903 -1.293 8.880 293 HG23 ILE 59 HG23 ILE 59 -0.830 -1.587 8.992 294 HD11 ILE 59 HD11 ILE 59 -2.612 -2.317 8.124 295 HD12 ILE 59 HD12 ILE 59 -2.190 -4.028 8.007 296 HD13 ILE 59 HD13 ILE 59 -3.279 -3.304 6.825 297 H LYS 60 H LYS 60 2.671 -4.061 7.563 298 HA LYS 60 HA LYS 60 4.149 -2.710 9.466 299 HB2 LYS 60 HB2 LYS 60 4.001 -5.145 9.421 300 HB3 LYS 60 HB3 LYS 60 4.813 -5.211 7.868 301 HG2 LYS 60 HG2 LYS 60 6.819 -4.101 9.251 302 HG3 LYS 60 HG3 LYS 60 5.978 -4.835 10.615 303 HD2 LYS 60 HD2 LYS 60 7.020 -6.286 8.147 304 HD3 LYS 60 HD3 LYS 60 7.733 -6.337 9.760 305 HE2 LYS 60 HE2 LYS 60 5.758 -7.490 10.630 306 HE3 LYS 60 HE3 LYS 60 4.955 -7.357 9.063 307 HZ1 LYS 60 HZ1 LYS 60 7.504 -8.796 9.493 308 HZ2 LYS 60 HZ2 LYS 60 6.545 -8.806 8.100 309 HZ3 LYS 60 HZ3 LYS 60 5.985 -9.538 9.519 310 H LYS 61 H LYS 61 5.299 -3.779 6.273 311 HA LYS 61 HA LYS 61 7.829 -2.501 6.403 312 HB2 LYS 61 HB2 LYS 61 6.246 -3.648 4.075 313 HB3 LYS 61 HB3 LYS 61 7.912 -3.078 3.930 314 HG2 LYS 61 HG2 LYS 61 8.719 -4.768 5.435 315 HG3 LYS 61 HG3 LYS 61 7.077 -5.215 5.912 316 HD2 LYS 61 HD2 LYS 61 6.631 -6.125 3.703 317 HD3 LYS 61 HD3 LYS 61 8.214 -5.592 3.121 318 HE2 LYS 61 HE2 LYS 61 9.357 -7.164 4.525 319 HE3 LYS 61 HE3 LYS 61 7.890 -7.522 5.443 320 HZ1 LYS 61 HZ1 LYS 61 8.232 -8.114 2.569 321 HZ2 LYS 61 HZ2 LYS 61 6.960 -8.587 3.566 322 HZ3 LYS 61 HZ3 LYS 61 8.500 -9.226 3.809 323 H ALA 62 H ALA 62 4.702 -1.502 5.066 324 HA ALA 62 HA ALA 62 5.517 0.843 3.740 325 HB1 ALA 62 HB1 ALA 62 3.199 1.613 4.031 326 HB2 ALA 62 HB2 ALA 62 2.921 0.330 5.214 327 HB3 ALA 62 HB3 ALA 62 3.261 -0.079 3.532 328 H ASP 63 H ASP 63 4.607 0.330 7.176 329 HA ASP 63 HA ASP 63 4.951 3.008 8.047 330 HB2 ASP 63 HB2 ASP 63 4.963 0.367 9.563 331 HB3 ASP 63 HB3 ASP 63 5.256 1.892 10.393 332 H GLU 64 H GLU 64 7.179 0.221 7.906 333 HA GLU 64 HA GLU 64 9.436 1.446 9.089 334 HB2 GLU 64 HB2 GLU 64 9.499 -0.610 6.845 335 HB3 GLU 64 HB3 GLU 64 10.778 -0.285 8.004 336 HG2 GLU 64 HG2 GLU 64 8.079 -1.514 8.626 337 HG3 GLU 64 HG3 GLU 64 9.605 -2.380 8.505 338 H LYS 65 H LYS 65 8.230 1.535 5.758 339 HA LYS 65 HA LYS 65 10.395 3.262 4.812 340 HB2 LYS 65 HB2 LYS 65 8.009 1.974 3.441 341 HB3 LYS 65 HB3 LYS 65 8.902 3.261 2.647 342 HG2 LYS 65 HG2 LYS 65 9.740 1.207 1.786 343 HG3 LYS 65 HG3 LYS 65 10.988 1.859 2.846 344 HD2 LYS 65 HD2 LYS 65 10.327 0.269 4.616 345 HD3 LYS 65 HD3 LYS 65 9.026 -0.347 3.594 346 HE2 LYS 65 HE2 LYS 65 10.888 -1.893 3.519 347 HE3 LYS 65 HE3 LYS 65 10.743 -1.110 1.945 348 HZ1 LYS 65 HZ1 LYS 65 12.670 -0.361 4.072 349 HZ2 LYS 65 HZ2 LYS 65 12.552 0.352 2.550 350 HZ3 LYS 65 HZ3 LYS 65 13.033 -1.258 2.689 351 H GLY 66 H GLY 66 7.659 3.792 6.599 352 HA2 GLY 66 HA2 GLY 66 6.887 5.827 7.402 353 HA3 GLY 66 HA3 GLY 66 7.814 6.656 6.165 354 H ALA 67 H ALA 67 6.031 4.378 4.541 355 HA ALA 67 HA ALA 67 4.350 6.185 3.224 356 HB1 ALA 67 HB1 ALA 67 5.113 4.068 2.249 357 HB2 ALA 67 HB2 ALA 67 3.359 4.227 2.147 358 HB3 ALA 67 HB3 ALA 67 4.084 3.172 3.365 359 H ASP 68 H ASP 68 2.165 6.580 3.273 360 HA ASP 68 HA ASP 68 0.780 6.092 5.818 361 HB2 ASP 68 HB2 ASP 68 0.020 7.914 3.492 362 HB3 ASP 68 HB3 ASP 68 -0.737 7.891 5.082 363 H VAL 69 H VAL 69 0.539 5.457 2.343 364 HA VAL 69 HA VAL 69 -1.934 3.864 2.789 365 HB VAL 69 HB VAL 69 -1.116 5.569 0.392 366 HG11 VAL 69 HG11 VAL 69 -3.145 4.775 -0.793 367 HG12 VAL 69 HG12 VAL 69 -3.433 3.589 0.484 368 HG13 VAL 69 HG13 VAL 69 -1.996 3.465 -0.533 369 HG21 VAL 69 HG21 VAL 69 -3.590 5.634 2.160 370 HG22 VAL 69 HG22 VAL 69 -3.264 6.705 0.793 371 HG23 VAL 69 HG23 VAL 69 -2.233 6.763 2.222 372 H VAL 70 H VAL 70 -2.001 1.835 2.113 373 HA VAL 70 HA VAL 70 0.185 0.664 0.480 374 HB VAL 70 HB VAL 70 -1.533 -0.879 2.502 375 HG11 VAL 70 HG11 VAL 70 0.232 -2.603 2.325 376 HG12 VAL 70 HG12 VAL 70 1.095 -1.608 1.150 377 HG13 VAL 70 HG13 VAL 70 -0.499 -2.257 0.757 378 HG21 VAL 70 HG21 VAL 70 0.353 -0.837 4.089 379 HG22 VAL 70 HG22 VAL 70 -0.291 0.779 3.793 380 HG23 VAL 70 HG23 VAL 70 1.219 0.280 3.030 381 H VAL 71 H VAL 71 -0.731 0.454 -1.517 382 HA VAL 71 HA VAL 71 -3.594 -0.185 -1.819 383 HB VAL 71 HB VAL 71 -1.537 0.880 -3.807 384 HG11 VAL 71 HG11 VAL 71 -4.466 0.212 -4.341 385 HG12 VAL 71 HG12 VAL 71 -3.068 -0.606 -5.040 386 HG13 VAL 71 HG13 VAL 71 -3.397 1.077 -5.451 387 HG21 VAL 71 HG21 VAL 71 -2.944 2.903 -3.762 388 HG22 VAL 71 HG22 VAL 71 -2.346 2.504 -2.153 389 HG23 VAL 71 HG23 VAL 71 -4.019 2.140 -2.586 390 H LEU 72 H LEU 72 -4.077 -2.254 -1.970 391 HA LEU 72 HA LEU 72 -2.126 -4.286 -2.454 392 HB2 LEU 72 HB2 LEU 72 -5.155 -4.506 -2.288 393 HB3 LEU 72 HB3 LEU 72 -4.061 -5.881 -2.377 394 HG LEU 72 HG LEU 72 -4.300 -3.879 -0.096 395 HD11 LEU 72 HD11 LEU 72 -4.762 -6.877 -0.151 396 HD12 LEU 72 HD12 LEU 72 -6.013 -5.633 -0.098 397 HD13 LEU 72 HD13 LEU 72 -4.909 -5.821 1.261 398 HD21 LEU 72 HD21 LEU 72 -1.922 -4.347 -0.374 399 HD22 LEU 72 HD22 LEU 72 -2.232 -6.084 -0.402 400 HD23 LEU 72 HD23 LEU 72 -2.524 -5.154 1.070 401 H THR 73 H THR 73 -1.220 -4.421 -4.321 402 HA THR 73 HA THR 73 -2.635 -4.284 -6.859 403 HB THR 73 HB THR 73 0.248 -5.199 -6.576 404 HG1 THR 73 HG1 THR 73 -0.306 -2.440 -6.528 405 HG21 THR 73 HG21 THR 73 -1.153 -3.330 -8.527 406 HG22 THR 73 HG22 THR 73 -0.696 -5.005 -8.843 407 HG23 THR 73 HG23 THR 73 0.551 -3.783 -8.593 408 H SER 74 H SER 74 -1.630 -6.638 -4.553 409 HA SER 74 HA SER 74 -2.796 -8.871 -5.952 410 HB2 SER 74 HB2 SER 74 -0.499 -8.745 -6.995 411 HB3 SER 74 HB3 SER 74 0.219 -8.877 -5.394 412 HG SER 74 HG SER 74 -1.254 -10.809 -6.839 413 H GLY 75 H GLY 75 -3.901 -9.808 -4.300 414 HA2 GLY 75 HA2 GLY 75 -2.886 -11.050 -2.065 415 HA3 GLY 75 HA3 GLY 75 -3.247 -9.414 -1.512 416 H GLN 76 H GLN 76 -5.495 -9.068 -3.313 417 HA GLN 76 HA GLN 76 -7.535 -10.083 -1.526 418 HB2 GLN 76 HB2 GLN 76 -7.806 -8.263 -3.968 419 HB3 GLN 76 HB3 GLN 76 -9.040 -8.530 -2.738 420 HG2 GLN 76 HG2 GLN 76 -7.684 -7.434 -1.055 421 HG3 GLN 76 HG3 GLN 76 -6.328 -7.291 -2.174 422 HE21 GLN 76 HE21 GLN 76 -7.727 -5.202 -0.698 423 HE22 GLN 76 HE22 GLN 76 -8.318 -4.096 -1.881 424 H THR 77 H THR 77 -7.034 -12.334 -2.244 425 HA THR 77 HA THR 77 -9.300 -13.458 -3.264 426 HB THR 77 HB THR 77 -8.499 -12.679 -5.549 427 HG1 THR 77 HG1 THR 77 -9.020 -14.696 -6.534 428 HG21 THR 77 HG21 THR 77 -6.747 -13.980 -6.713 429 HG22 THR 77 HG22 THR 77 -6.388 -14.847 -5.217 430 HG23 THR 77 HG23 THR 77 -6.082 -13.115 -5.329 431 H GLU 78 H GLU 78 -5.883 -13.647 -2.602 432 HA GLU 78 HA GLU 78 -4.658 -14.982 -1.272 433 HB2 GLU 78 HB2 GLU 78 -6.542 -15.404 0.184 434 HB3 GLU 78 HB3 GLU 78 -7.204 -16.599 -0.922 435 HG2 GLU 78 HG2 GLU 78 -5.198 -18.038 -0.484 436 HG3 GLU 78 HG3 GLU 78 -4.656 -16.850 0.704 437 H ASN 79 H ASN 79 -6.723 -16.928 -3.458 438 HA ASN 79 HA ASN 79 -5.022 -19.162 -3.599 439 HB2 ASN 79 HB2 ASN 79 -7.421 -19.292 -4.079 440 HB3 ASN 79 HB3 ASN 79 -7.234 -18.225 -5.464 441 HD21 ASN 79 HD21 ASN 79 -8.075 -19.696 -6.949 442 HD22 ASN 79 HD22 ASN 79 -7.258 -21.151 -7.401 443 H LYS 80 H LYS 80 -5.747 -16.849 -6.271 444 HA LYS 80 HA LYS 80 -3.128 -17.540 -7.468 445 HB2 LYS 80 HB2 LYS 80 -5.652 -16.511 -8.821 446 HB3 LYS 80 HB3 LYS 80 -4.121 -16.828 -9.640 447 HG2 LYS 80 HG2 LYS 80 -4.277 -19.218 -8.928 448 HG3 LYS 80 HG3 LYS 80 -5.860 -18.875 -8.222 449 HD2 LYS 80 HD2 LYS 80 -6.730 -18.277 -10.452 450 HD3 LYS 80 HD3 LYS 80 -5.137 -18.568 -11.159 451 HE2 LYS 80 HE2 LYS 80 -5.302 -20.961 -10.404 452 HE3 LYS 80 HE3 LYS 80 -6.947 -20.631 -9.855 453 HZ1 LYS 80 HZ1 LYS 80 -6.885 -21.649 -12.039 454 HZ2 LYS 80 HZ2 LYS 80 -5.977 -20.360 -12.645 455 HZ3 LYS 80 HZ3 LYS 80 -7.563 -20.103 -12.121 456 H ILE 81 H ILE 81 -2.577 -15.923 -5.638 457 HA ILE 81 HA ILE 81 -1.794 -13.501 -7.110 458 HB ILE 81 HB ILE 81 -1.684 -12.256 -4.867 459 HG12 ILE 81 HG12 ILE 81 -3.586 -13.132 -3.200 460 HG13 ILE 81 HG13 ILE 81 -3.233 -14.694 -3.922 461 HG21 ILE 81 HG21 ILE 81 -4.424 -12.944 -5.937 462 HG22 ILE 81 HG22 ILE 81 -3.340 -11.686 -6.533 463 HG23 ILE 81 HG23 ILE 81 -4.042 -11.552 -4.918 464 HD11 ILE 81 HD11 ILE 81 -1.266 -12.937 -2.457 465 HD12 ILE 81 HD12 ILE 81 -0.923 -14.530 -3.137 466 HD13 ILE 81 HD13 ILE 81 -2.075 -14.365 -1.812 467 H HIS 82 H HIS 82 0.239 -12.556 -6.208 468 HA HIS 82 HA HIS 82 2.003 -14.597 -4.966 469 HB2 HIS 82 HB2 HIS 82 3.908 -13.564 -6.209 470 HB3 HIS 82 HB3 HIS 82 2.700 -14.244 -7.288 471 HD1 HIS 82 HD1 HIS 82 1.207 -12.511 -8.622 472 HD2 HIS 82 HD2 HIS 82 4.340 -10.830 -6.476 473 HE1 HIS 82 HE1 HIS 82 1.497 -10.195 -9.555 474 HE2 HIS 82 HE2 HIS 82 3.266 -9.151 -8.112 475 H GLY 83 H GLY 83 0.404 -11.712 -4.495 476 HA2 GLY 83 HA2 GLY 83 0.361 -10.335 -2.650 477 HA3 GLY 83 HA3 GLY 83 1.769 -11.170 -2.018 478 H THR 84 H THR 84 0.637 -8.350 -3.442 479 HA THR 84 HA THR 84 3.213 -7.034 -3.478 480 HB THR 84 HB THR 84 1.541 -7.113 -6.056 481 HG1 THR 84 HG1 THR 84 3.835 -8.524 -5.240 482 HG21 THR 84 HG21 THR 84 4.256 -5.855 -5.545 483 HG22 THR 84 HG22 THR 84 2.746 -4.972 -5.795 484 HG23 THR 84 HG23 THR 84 3.441 -5.937 -7.103 485 H ALA 85 H ALA 85 2.946 -4.763 -3.345 486 HA ALA 85 HA ALA 85 0.368 -3.489 -3.578 487 HB1 ALA 85 HB1 ALA 85 1.683 -3.672 -0.841 488 HB2 ALA 85 HB2 ALA 85 0.180 -4.461 -1.323 489 HB3 ALA 85 HB3 ALA 85 0.261 -2.699 -1.245 490 H ASP 86 H ASP 86 0.630 -1.372 -4.098 491 HA ASP 86 HA ASP 86 3.343 -0.240 -4.176 492 HB2 ASP 86 HB2 ASP 86 0.694 0.955 -5.109 493 HB3 ASP 86 HB3 ASP 86 2.276 1.683 -5.351 494 H ILE 87 H ILE 87 4.078 1.299 -2.782 495 HA ILE 87 HA ILE 87 2.293 2.120 -0.572 496 HB ILE 87 HB ILE 87 4.443 2.650 0.674 497 HG12 ILE 87 HG12 ILE 87 5.754 1.033 -1.565 498 HG13 ILE 87 HG13 ILE 87 5.991 2.754 -1.294 499 HG21 ILE 87 HG21 ILE 87 3.117 0.636 1.143 500 HG22 ILE 87 HG22 ILE 87 4.838 0.301 1.323 501 HG23 ILE 87 HG23 ILE 87 3.982 -0.249 -0.119 502 HD11 ILE 87 HD11 ILE 87 7.875 1.474 -0.490 503 HD12 ILE 87 HD12 ILE 87 6.827 0.526 0.563 504 HD13 ILE 87 HD13 ILE 87 7.057 2.251 0.865 505 H TYR 88 H TYR 88 2.006 4.185 -0.010 506 HA TYR 88 HA TYR 88 2.946 6.308 -1.840 507 HB2 TYR 88 HB2 TYR 88 0.052 5.772 -1.033 508 HB3 TYR 88 HB3 TYR 88 0.596 7.206 -1.899 509 HD1 TYR 88 HD1 TYR 88 1.334 7.029 -4.274 510 HD2 TYR 88 HD2 TYR 88 -0.185 3.630 -2.185 511 HE1 TYR 88 HE1 TYR 88 1.043 5.846 -6.407 512 HE2 TYR 88 HE2 TYR 88 -0.477 2.466 -4.319 513 HH TYR 88 HH TYR 88 -0.737 2.923 -6.664 514 H LYS 89 H LYS 89 2.936 8.352 -1.036 515 HA LYS 89 HA LYS 89 2.510 8.801 1.859 516 HB2 LYS 89 HB2 LYS 89 4.408 10.060 -0.167 517 HB3 LYS 89 HB3 LYS 89 4.028 10.876 1.338 518 HG2 LYS 89 HG2 LYS 89 5.357 8.167 1.049 519 HG3 LYS 89 HG3 LYS 89 6.149 9.675 1.505 520 HD2 LYS 89 HD2 LYS 89 3.989 8.262 3.115 521 HD3 LYS 89 HD3 LYS 89 5.718 8.199 3.455 522 HE2 LYS 89 HE2 LYS 89 5.746 10.605 3.916 523 HE3 LYS 89 HE3 LYS 89 4.037 10.728 3.485 524 HZ1 LYS 89 HZ1 LYS 89 5.043 9.028 5.680 525 HZ2 LYS 89 HZ2 LYS 89 3.441 9.436 5.342 526 HZ3 LYS 89 HZ3 LYS 89 4.517 10.612 5.891 527 H LYS 90 H LYS 90 1.282 10.582 2.468 528 HA LYS 90 HA LYS 90 -0.669 11.514 0.564 529 HB2 LYS 90 HB2 LYS 90 -1.150 10.919 2.984 530 HB3 LYS 90 HB3 LYS 90 -0.311 12.392 3.462 531 HG2 LYS 90 HG2 LYS 90 -1.962 13.759 2.316 532 HG3 LYS 90 HG3 LYS 90 -2.738 12.333 1.637 533 HD2 LYS 90 HD2 LYS 90 -3.381 11.600 3.908 534 HD3 LYS 90 HD3 LYS 90 -2.606 13.032 4.597 535 HE2 LYS 90 HE2 LYS 90 -4.205 14.492 3.470 536 HE3 LYS 90 HE3 LYS 90 -4.917 13.121 2.618 537 HZ1 LYS 90 HZ1 LYS 90 -5.014 13.669 5.524 538 HZ2 LYS 90 HZ2 LYS 90 -5.541 12.227 4.822 539 HZ3 LYS 90 HZ3 LYS 90 -6.297 13.682 4.428 540 H LYS 91 H LYS 91 -0.387 13.218 -0.700 541 HA LYS 91 HA LYS 91 1.795 15.069 -0.454 542 HB2 LYS 91 HB2 LYS 91 -0.609 15.022 -2.330 543 HB3 LYS 91 HB3 LYS 91 0.788 16.082 -2.512 544 HG2 LYS 91 HG2 LYS 91 2.245 14.214 -2.975 545 HG3 LYS 91 HG3 LYS 91 0.992 13.056 -2.522 546 HD2 LYS 91 HD2 LYS 91 1.211 13.127 -4.941 547 HD3 LYS 91 HD3 LYS 91 -0.365 13.760 -4.472 548 HE2 LYS 91 HE2 LYS 91 0.504 16.071 -4.787 549 HE3 LYS 91 HE3 LYS 91 2.056 15.404 -5.305 550 HZ1 LYS 91 HZ1 LYS 91 -0.563 15.000 -6.641 551 HZ2 LYS 91 HZ2 LYS 91 0.894 14.283 -7.112 552 HZ3 LYS 91 HZ3 LYS 91 0.717 15.960 -7.195 553 H LEU 92 H LEU 92 1.706 17.246 0.122 554 HA LEU 92 HA LEU 92 1.149 19.044 1.355 555 HB2 LEU 92 HB2 LEU 92 -1.521 18.488 0.039 556 HB3 LEU 92 HB3 LEU 92 -1.351 19.801 1.191 557 HG LEU 92 HG LEU 92 0.380 20.859 -0.272 558 HD11 LEU 92 HD11 LEU 92 0.710 20.087 -2.581 559 HD12 LEU 92 HD12 LEU 92 -0.269 18.655 -2.248 560 HD13 LEU 92 HD13 LEU 92 1.267 18.890 -1.413 561 HD21 LEU 92 HD21 LEU 92 -1.955 21.554 -0.455 562 HD22 LEU 92 HD22 LEU 92 -2.256 20.299 -1.659 563 HD23 LEU 92 HD23 LEU 92 -1.158 21.633 -2.026 564 H GLU 93 H GLU 93 1.274 16.526 2.598 565 HA GLU 93 HA GLU 93 -0.739 16.026 4.495 566 HB2 GLU 93 HB2 GLU 93 1.066 14.449 3.732 567 HB3 GLU 93 HB3 GLU 93 2.239 15.357 4.665 568 HG2 GLU 93 HG2 GLU 93 -0.173 14.070 5.964 569 HG3 GLU 93 HG3 GLU 93 1.287 13.154 5.627 570 H HIS 94 H HIS 94 -1.366 17.350 6.083 571 HA HIS 94 HA HIS 94 0.596 19.133 7.420 572 HB2 HIS 94 HB2 HIS 94 -1.092 20.419 6.190 573 HB3 HIS 94 HB3 HIS 94 -2.392 19.511 6.946 574 HD1 HIS 94 HD1 HIS 94 -3.196 20.293 9.218 575 HD2 HIS 94 HD2 HIS 94 0.213 22.298 7.946 576 HE1 HIS 94 HE1 HIS 94 -2.915 22.211 10.810 577 HE2 HIS 94 HE2 HIS 94 -0.924 23.484 9.945 578 H HIS 95 H HIS 95 -2.522 17.460 7.965 579 HA HIS 95 HA HIS 95 -2.032 17.232 10.830 580 HB2 HIS 95 HB2 HIS 95 -4.325 17.805 10.011 581 HB3 HIS 95 HB3 HIS 95 -4.414 16.250 9.186 582 HD1 HIS 95 HD1 HIS 95 -3.571 17.309 12.765 583 HD2 HIS 95 HD2 HIS 95 -5.875 14.538 10.698 584 HE1 HIS 95 HE1 HIS 95 -4.693 15.924 14.526 585 HE2 HIS 95 HE2 HIS 95 -5.903 14.134 13.256 586 H HIS 96 H HIS 96 -0.631 15.731 11.368 587 HA HIS 96 HA HIS 96 0.306 13.651 9.759 588 HB2 HIS 96 HB2 HIS 96 0.651 14.038 12.764 589 HB3 HIS 96 HB3 HIS 96 1.638 12.989 11.750 590 HD1 HIS 96 HD1 HIS 96 1.170 16.560 12.715 591 HD2 HIS 96 HD2 HIS 96 3.481 14.354 10.051 592 HE1 HIS 96 HE1 HIS 96 2.962 18.126 11.917 593 HE2 HIS 96 HE2 HIS 96 4.219 16.830 10.162 594 H HIS 97 H HIS 97 -0.908 11.949 9.176 595 HA HIS 97 HA HIS 97 -2.369 10.398 11.229 596 HB2 HIS 97 HB2 HIS 97 -2.508 10.430 8.206 597 HB3 HIS 97 HB3 HIS 97 -3.033 8.998 9.084 598 HD1 HIS 97 HD1 HIS 97 -5.442 9.405 8.200 599 HD2 HIS 97 HD2 HIS 97 -3.985 12.430 10.648 600 HE1 HIS 97 HE1 HIS 97 -7.444 10.779 8.825 601 HE2 HIS 97 HE2 HIS 97 -6.544 12.622 10.277 602 H HIS 98 H HIS 98 -0.635 9.512 12.315 603 HA HIS 98 HA HIS 98 0.898 7.426 10.856 604 HB2 HIS 98 HB2 HIS 98 1.789 8.984 13.331 605 HB3 HIS 98 HB3 HIS 98 2.684 7.667 12.574 606 HD1 HIS 98 HD1 HIS 98 2.663 11.208 12.686 607 HD2 HIS 98 HD2 HIS 98 3.221 8.405 9.671 608 HE1 HIS 98 HE1 HIS 98 3.884 12.417 10.856 609 HE2 HIS 98 HE2 HIS 98 4.381 10.650 9.140 610 H HIS 99 H HIS 99 1.506 5.601 12.219 611 HA HIS 99 HA HIS 99 -0.458 4.903 14.334 612 HB2 HIS 99 HB2 HIS 99 0.780 3.075 12.212 613 HB3 HIS 99 HB3 HIS 99 -0.255 2.540 13.530 614 HD1 HIS 99 HD1 HIS 99 -0.517 4.994 10.613 615 HD2 HIS 99 HD2 HIS 99 -2.848 2.303 12.753 616 HE1 HIS 99 HE1 HIS 99 -2.732 4.948 9.439 617 HE2 HIS 99 HE2 HIS 99 -4.173 3.460 10.846 Start of MODEL 11 1 H1 ALA 22 H1 ALA 22 1.348 3.922 7.673 2 H2 ALA 22 H2 ALA 22 0.498 2.742 8.535 3 H3 ALA 22 H3 ALA 22 -0.321 4.067 7.887 4 HA ALA 22 HA ALA 22 0.160 3.370 5.675 5 HB1 ALA 22 HB1 ALA 22 1.254 1.209 5.238 6 HB2 ALA 22 HB2 ALA 22 1.511 0.975 6.967 7 HB3 ALA 22 HB3 ALA 22 2.328 2.292 6.123 8 H GLU 23 H GLU 23 -2.094 3.411 5.724 9 HA GLU 23 HA GLU 23 -3.594 1.149 6.829 10 HB2 GLU 23 HB2 GLU 23 -5.607 2.407 6.154 11 HB3 GLU 23 HB3 GLU 23 -4.538 3.402 7.135 12 HG2 GLU 23 HG2 GLU 23 -3.783 4.638 5.203 13 HG3 GLU 23 HG3 GLU 23 -4.612 3.539 4.105 14 H ILE 24 H ILE 24 -4.756 -0.308 5.592 15 HA ILE 24 HA ILE 24 -3.789 -0.881 2.920 16 HB ILE 24 HB ILE 24 -5.768 -2.266 4.788 17 HG12 ILE 24 HG12 ILE 24 -3.344 -2.438 5.358 18 HG13 ILE 24 HG13 ILE 24 -4.063 -4.000 4.996 19 HG21 ILE 24 HG21 ILE 24 -5.843 -4.172 3.213 20 HG22 ILE 24 HG22 ILE 24 -4.960 -3.213 2.023 21 HG23 ILE 24 HG23 ILE 24 -6.573 -2.716 2.538 22 HD11 ILE 24 HD11 ILE 24 -2.305 -2.385 3.147 23 HD12 ILE 24 HD12 ILE 24 -3.027 -3.951 2.770 24 HD13 ILE 24 HD13 ILE 24 -1.833 -3.817 4.061 25 H MET 25 H MET 25 -4.710 -0.120 1.077 26 HA MET 25 HA MET 25 -7.647 -0.181 0.851 27 HB2 MET 25 HB2 MET 25 -5.950 2.120 -0.248 28 HB3 MET 25 HB3 MET 25 -7.631 1.834 -0.669 29 HG2 MET 25 HG2 MET 25 -8.044 2.039 1.912 30 HG3 MET 25 HG3 MET 25 -6.481 2.844 1.915 31 HE1 MET 25 HE1 MET 25 -7.234 5.945 -0.431 32 HE2 MET 25 HE2 MET 25 -6.529 4.396 -0.891 33 HE3 MET 25 HE3 MET 25 -6.025 5.189 0.604 34 H LYS 26 H LYS 26 -8.368 -0.962 -1.114 35 HA LYS 26 HA LYS 26 -6.643 -2.435 -2.851 36 HB2 LYS 26 HB2 LYS 26 -9.463 -1.415 -3.416 37 HB3 LYS 26 HB3 LYS 26 -8.641 -2.714 -4.275 38 HG2 LYS 26 HG2 LYS 26 -8.709 -4.133 -2.295 39 HG3 LYS 26 HG3 LYS 26 -9.408 -2.825 -1.338 40 HD2 LYS 26 HD2 LYS 26 -10.723 -4.196 -3.719 41 HD3 LYS 26 HD3 LYS 26 -11.130 -4.463 -2.023 42 HE2 LYS 26 HE2 LYS 26 -11.914 -2.141 -1.821 43 HE3 LYS 26 HE3 LYS 26 -11.428 -1.812 -3.485 44 HZ1 LYS 26 HZ1 LYS 26 -13.544 -3.686 -2.599 45 HZ2 LYS 26 HZ2 LYS 26 -13.044 -3.491 -4.200 46 HZ3 LYS 26 HZ3 LYS 26 -13.770 -2.203 -3.380 47 H LYS 27 H LYS 27 -6.334 -1.965 -5.219 48 HA LYS 27 HA LYS 27 -5.325 0.616 -5.726 49 HB2 LYS 27 HB2 LYS 27 -4.755 -1.605 -6.908 50 HB3 LYS 27 HB3 LYS 27 -6.178 -1.342 -7.901 51 HG2 LYS 27 HG2 LYS 27 -3.930 0.688 -7.730 52 HG3 LYS 27 HG3 LYS 27 -3.892 -0.657 -8.863 53 HD2 LYS 27 HD2 LYS 27 -5.881 0.178 -10.005 54 HD3 LYS 27 HD3 LYS 27 -6.087 1.454 -8.802 55 HE2 LYS 27 HE2 LYS 27 -3.964 2.487 -9.529 56 HE3 LYS 27 HE3 LYS 27 -3.731 1.191 -10.706 57 HZ1 LYS 27 HZ1 LYS 27 -6.020 3.080 -10.707 58 HZ2 LYS 27 HZ2 LYS 27 -5.681 1.907 -11.879 59 HZ3 LYS 27 HZ3 LYS 27 -4.646 3.228 -11.679 60 H THR 28 H THR 28 -8.418 -0.894 -6.544 61 HA THR 28 HA THR 28 -9.573 1.112 -8.146 62 HB THR 28 HB THR 28 -11.778 0.042 -7.415 63 HG1 THR 28 HG1 THR 28 -11.637 -1.757 -6.037 64 HG21 THR 28 HG21 THR 28 -9.614 -1.910 -8.278 65 HG22 THR 28 HG22 THR 28 -10.541 -0.863 -9.355 66 HG23 THR 28 HG23 THR 28 -11.356 -2.140 -8.454 67 H ASP 29 H ASP 29 -9.770 0.533 -4.634 68 HA ASP 29 HA ASP 29 -11.581 2.671 -4.088 69 HB2 ASP 29 HB2 ASP 29 -11.031 0.485 -2.680 70 HB3 ASP 29 HB3 ASP 29 -9.784 1.489 -1.944 71 H PHE 30 H PHE 30 -8.112 2.304 -4.039 72 HA PHE 30 HA PHE 30 -7.398 4.756 -2.769 73 HB2 PHE 30 HB2 PHE 30 -5.781 2.972 -2.783 74 HB3 PHE 30 HB3 PHE 30 -5.873 2.789 -4.532 75 HD1 PHE 30 HD1 PHE 30 -4.763 5.110 -1.830 76 HD2 PHE 30 HD2 PHE 30 -4.412 4.032 -5.953 77 HE1 PHE 30 HE1 PHE 30 -2.923 6.692 -2.098 78 HE2 PHE 30 HE2 PHE 30 -2.558 5.625 -6.209 79 HZ PHE 30 HZ PHE 30 -1.826 6.950 -4.277 80 H ASP 31 H ASP 31 -7.924 3.760 -6.102 81 HA ASP 31 HA ASP 31 -6.602 5.708 -7.553 82 HB2 ASP 31 HB2 ASP 31 -7.676 3.600 -8.429 83 HB3 ASP 31 HB3 ASP 31 -9.244 4.381 -8.296 84 H LYS 32 H LYS 32 -9.762 5.867 -6.069 85 HA LYS 32 HA LYS 32 -11.039 8.059 -7.156 86 HB2 LYS 32 HB2 LYS 32 -10.933 7.314 -4.205 87 HB3 LYS 32 HB3 LYS 32 -12.214 8.238 -4.984 88 HG2 LYS 32 HG2 LYS 32 -12.962 6.285 -6.214 89 HG3 LYS 32 HG3 LYS 32 -11.562 5.352 -5.674 90 HD2 LYS 32 HD2 LYS 32 -12.374 5.588 -3.311 91 HD3 LYS 32 HD3 LYS 32 -13.821 6.395 -3.918 92 HE2 LYS 32 HE2 LYS 32 -14.518 4.366 -5.081 93 HE3 LYS 32 HE3 LYS 32 -12.997 3.562 -4.673 94 HZ1 LYS 32 HZ1 LYS 32 -14.814 2.892 -3.221 95 HZ2 LYS 32 HZ2 LYS 32 -15.026 4.489 -2.715 96 HZ3 LYS 32 HZ3 LYS 32 -13.596 3.672 -2.340 97 H VAL 33 H VAL 33 -8.339 8.071 -4.864 98 HA VAL 33 HA VAL 33 -8.304 11.046 -4.777 99 HB VAL 33 HB VAL 33 -7.295 10.814 -2.448 100 HG11 VAL 33 HG11 VAL 33 -9.454 10.419 -1.279 101 HG12 VAL 33 HG12 VAL 33 -10.135 9.755 -2.766 102 HG13 VAL 33 HG13 VAL 33 -9.657 11.451 -2.696 103 HG21 VAL 33 HG21 VAL 33 -8.215 7.911 -2.688 104 HG22 VAL 33 HG22 VAL 33 -7.643 8.681 -1.206 105 HG23 VAL 33 HG23 VAL 33 -6.541 8.464 -2.566 106 H ALA 34 H ALA 34 -6.829 8.837 -6.424 107 HA ALA 34 HA ALA 34 -4.203 8.474 -5.536 108 HB1 ALA 34 HB1 ALA 34 -3.670 7.796 -7.830 109 HB2 ALA 34 HB2 ALA 34 -5.153 8.557 -8.415 110 HB3 ALA 34 HB3 ALA 34 -5.242 7.165 -7.336 111 H SER 35 H SER 35 -5.525 11.234 -7.306 112 HA SER 35 HA SER 35 -3.195 12.468 -8.263 113 HB2 SER 35 HB2 SER 35 -5.723 13.857 -7.281 114 HB3 SER 35 HB3 SER 35 -4.531 14.520 -8.403 115 HG SER 35 HG SER 35 -5.937 13.719 -9.785 116 H GLU 36 H GLU 36 -4.606 12.483 -5.025 117 HA GLU 36 HA GLU 36 -2.786 14.591 -4.061 118 HB2 GLU 36 HB2 GLU 36 -5.025 13.099 -2.625 119 HB3 GLU 36 HB3 GLU 36 -4.119 14.459 -1.968 120 HG2 GLU 36 HG2 GLU 36 -5.968 14.521 -4.365 121 HG3 GLU 36 HG3 GLU 36 -6.309 15.184 -2.767 122 H TYR 37 H TYR 37 -2.112 11.585 -4.781 123 HA TYR 37 HA TYR 37 -0.468 11.127 -2.353 124 HB2 TYR 37 HB2 TYR 37 -2.085 9.090 -3.923 125 HB3 TYR 37 HB3 TYR 37 -0.729 8.607 -2.909 126 HD1 TYR 37 HD2 TYR 37 -4.030 10.401 -2.779 127 HD2 TYR 37 HD1 TYR 37 -1.058 8.278 -0.567 128 HE1 TYR 37 HE2 TYR 37 -5.487 10.394 -0.804 129 HE2 TYR 37 HE1 TYR 37 -2.521 8.289 1.400 130 HH TYR 37 HH TYR 37 -5.834 9.144 1.238 131 H THR 38 H THR 38 1.571 10.431 -2.662 132 HA THR 38 HA THR 38 2.721 10.474 -5.379 133 HB THR 38 HB THR 38 3.499 12.380 -4.025 134 HG1 THR 38 HG1 THR 38 5.516 10.375 -4.350 135 HG21 THR 38 HG21 THR 38 3.190 11.511 -1.746 136 HG22 THR 38 HG22 THR 38 4.830 12.122 -1.974 137 HG23 THR 38 HG23 THR 38 4.527 10.384 -1.984 138 H LYS 39 H LYS 39 3.675 8.614 -6.041 139 HA LYS 39 HA LYS 39 3.777 6.286 -4.351 140 HB2 LYS 39 HB2 LYS 39 3.352 6.129 -6.804 141 HB3 LYS 39 HB3 LYS 39 4.982 6.718 -7.129 142 HG2 LYS 39 HG2 LYS 39 5.948 4.728 -6.077 143 HG3 LYS 39 HG3 LYS 39 4.339 4.165 -5.614 144 HD2 LYS 39 HD2 LYS 39 3.725 3.864 -7.969 145 HD3 LYS 39 HD3 LYS 39 5.285 4.518 -8.485 146 HE2 LYS 39 HE2 LYS 39 6.462 2.637 -7.465 147 HE3 LYS 39 HE3 LYS 39 4.953 2.010 -6.796 148 HZ1 LYS 39 HZ1 LYS 39 5.601 2.234 -9.682 149 HZ2 LYS 39 HZ2 LYS 39 4.160 1.627 -9.031 150 HZ3 LYS 39 HZ3 LYS 39 5.615 0.815 -8.760 151 H ILE 40 H ILE 40 5.415 5.669 -3.054 152 HA ILE 40 HA ILE 40 8.075 6.950 -3.386 153 HB ILE 40 HB ILE 40 8.516 6.455 -1.007 154 HG12 ILE 40 HG12 ILE 40 5.599 5.570 -0.774 155 HG13 ILE 40 HG13 ILE 40 6.958 4.456 -0.807 156 HG21 ILE 40 HG21 ILE 40 7.591 8.653 -1.611 157 HG22 ILE 40 HG22 ILE 40 7.010 8.159 -0.023 158 HG23 ILE 40 HG23 ILE 40 5.945 8.037 -1.425 159 HD11 ILE 40 HD11 ILE 40 6.156 4.809 1.446 160 HD12 ILE 40 HD12 ILE 40 6.429 6.543 1.303 161 HD13 ILE 40 HD13 ILE 40 7.798 5.430 1.281 162 H GLY 41 H GLY 41 6.432 4.048 -3.879 163 HA2 GLY 41 HA2 GLY 41 8.459 2.657 -5.076 164 HA3 GLY 41 HA3 GLY 41 8.587 2.191 -3.382 165 H THR 42 H THR 42 8.170 0.122 -4.819 166 HA THR 42 HA THR 42 5.394 -0.667 -4.107 167 HB THR 42 HB THR 42 7.050 -1.892 -6.382 168 HG1 THR 42 HG1 THR 42 4.698 -0.511 -6.943 169 HG21 THR 42 HG21 THR 42 4.958 -3.051 -7.014 170 HG22 THR 42 HG22 THR 42 4.108 -2.304 -5.660 171 HG23 THR 42 HG23 THR 42 5.402 -3.465 -5.357 172 H ILE 43 H ILE 43 5.369 -2.342 -2.611 173 HA ILE 43 HA ILE 43 7.872 -3.904 -2.199 174 HB ILE 43 HB ILE 43 7.142 -4.364 0.135 175 HG12 ILE 43 HG12 ILE 43 4.925 -2.319 -0.354 176 HG13 ILE 43 HG13 ILE 43 4.675 -4.052 -0.189 177 HG21 ILE 43 HG21 ILE 43 8.719 -2.516 -0.261 178 HG22 ILE 43 HG22 ILE 43 7.678 -2.155 1.116 179 HG23 ILE 43 HG23 ILE 43 7.375 -1.385 -0.443 180 HD11 ILE 43 HD11 ILE 43 5.687 -2.182 1.951 181 HD12 ILE 43 HD12 ILE 43 5.477 -3.926 2.134 182 HD13 ILE 43 HD13 ILE 43 4.077 -2.892 1.845 183 H SER 44 H SER 44 7.746 -6.079 -2.075 184 HA SER 44 HA SER 44 5.312 -7.422 -3.000 185 HB2 SER 44 HB2 SER 44 8.111 -8.511 -2.440 186 HB3 SER 44 HB3 SER 44 6.797 -9.388 -3.222 187 HG SER 44 HG SER 44 8.510 -7.508 -4.232 188 H THR 45 H THR 45 4.804 -9.527 -1.870 189 HA THR 45 HA THR 45 4.803 -9.345 1.035 190 HB THR 45 HB THR 45 3.529 -11.576 0.782 191 HG1 THR 45 HG1 THR 45 2.941 -12.170 -1.281 192 HG21 THR 45 HG21 THR 45 1.436 -10.529 0.043 193 HG22 THR 45 HG22 THR 45 2.327 -9.178 -0.658 194 HG23 THR 45 HG23 THR 45 2.318 -9.419 1.093 195 H THR 46 H THR 46 5.437 -11.452 2.229 196 HA THR 46 HA THR 46 8.136 -12.189 1.531 197 HB THR 46 HB THR 46 6.420 -13.421 3.727 198 HG1 THR 46 HG1 THR 46 6.250 -11.291 4.176 199 HG21 THR 46 HG21 THR 46 8.666 -14.454 3.386 200 HG22 THR 46 HG22 THR 46 8.544 -13.629 4.939 201 HG23 THR 46 HG23 THR 46 9.414 -12.867 3.607 202 H GLY 47 H GLY 47 5.103 -13.405 0.581 203 HA2 GLY 47 HA2 GLY 47 6.058 -15.335 -1.197 204 HA3 GLY 47 HA3 GLY 47 5.570 -16.198 0.265 205 H GLU 48 H GLU 48 3.934 -17.195 -1.312 206 HA GLU 48 HA GLU 48 1.618 -15.573 -1.989 207 HB2 GLU 48 HB2 GLU 48 2.049 -18.589 -1.991 208 HB3 GLU 48 HB3 GLU 48 0.516 -17.848 -2.428 209 HG2 GLU 48 HG2 GLU 48 1.720 -18.461 -4.424 210 HG3 GLU 48 HG3 GLU 48 1.627 -16.705 -4.323 211 H MET 49 H MET 49 1.195 -14.601 -0.008 212 HA MET 49 HA MET 49 0.716 -16.200 2.407 213 HB2 MET 49 HB2 MET 49 0.955 -13.173 2.047 214 HB3 MET 49 HB3 MET 49 0.864 -14.018 3.590 215 HG2 MET 49 HG2 MET 49 3.016 -15.034 3.247 216 HG3 MET 49 HG3 MET 49 3.075 -14.478 1.579 217 HE1 MET 49 HE1 MET 49 3.714 -11.827 5.304 218 HE2 MET 49 HE2 MET 49 3.525 -13.582 5.328 219 HE3 MET 49 HE3 MET 49 2.141 -12.549 4.963 220 H SER 50 H SER 50 -1.177 -16.143 3.577 221 HA SER 50 HA SER 50 -3.649 -15.921 2.249 222 HB2 SER 50 HB2 SER 50 -4.550 -16.204 4.659 223 HB3 SER 50 HB3 SER 50 -3.456 -17.456 4.068 224 HG SER 50 HG SER 50 -3.116 -15.638 6.108 225 HA PRO 51 HA PRO 51 -4.855 -11.848 1.755 226 HB2 PRO 51 HB2 PRO 51 -7.309 -11.547 3.192 227 HB3 PRO 51 HB3 PRO 51 -7.117 -12.131 1.529 228 HG2 PRO 51 HG2 PRO 51 -7.382 -13.696 4.059 229 HG3 PRO 51 HG3 PRO 51 -8.066 -14.028 2.449 230 HD2 PRO 51 HD2 PRO 51 -5.970 -15.411 3.306 231 HD3 PRO 51 HD3 PRO 51 -6.020 -14.856 1.616 232 H LEU 52 H LEU 52 -5.650 -12.351 5.254 233 HA LEU 52 HA LEU 52 -5.188 -9.556 5.875 234 HB2 LEU 52 HB2 LEU 52 -5.650 -11.916 7.750 235 HB3 LEU 52 HB3 LEU 52 -5.559 -10.243 8.256 236 HG LEU 52 HG LEU 52 -7.862 -10.780 8.257 237 HD11 LEU 52 HD11 LEU 52 -8.864 -9.296 6.597 238 HD12 LEU 52 HD12 LEU 52 -7.360 -9.291 5.672 239 HD13 LEU 52 HD13 LEU 52 -7.406 -8.595 7.293 240 HD21 LEU 52 HD21 LEU 52 -9.101 -11.801 6.418 241 HD22 LEU 52 HD22 LEU 52 -7.802 -12.859 6.957 242 HD23 LEU 52 HD23 LEU 52 -7.623 -11.938 5.461 243 H ASP 53 H ASP 53 -3.421 -12.564 6.166 244 HA ASP 53 HA ASP 53 -1.291 -11.707 7.841 245 HB2 ASP 53 HB2 ASP 53 -1.891 -14.075 7.428 246 HB3 ASP 53 HB3 ASP 53 -1.415 -13.918 5.746 247 H ALA 54 H ALA 54 -1.784 -11.722 4.363 248 HA ALA 54 HA ALA 54 0.762 -10.748 3.532 249 HB1 ALA 54 HB1 ALA 54 -0.368 -10.356 1.357 250 HB2 ALA 54 HB2 ALA 54 -1.937 -10.656 2.110 251 HB3 ALA 54 HB3 ALA 54 -0.747 -11.954 1.999 252 H ARG 55 H ARG 55 -2.396 -9.244 4.200 253 HA ARG 55 HA ARG 55 -1.856 -6.591 3.499 254 HB2 ARG 55 HB2 ARG 55 -3.799 -7.839 5.454 255 HB3 ARG 55 HB3 ARG 55 -3.662 -6.085 5.369 256 HG2 ARG 55 HG2 ARG 55 -4.286 -6.119 3.006 257 HG3 ARG 55 HG3 ARG 55 -4.350 -7.884 3.026 258 HD2 ARG 55 HD2 ARG 55 -6.246 -7.845 4.562 259 HD3 ARG 55 HD3 ARG 55 -6.115 -6.094 4.734 260 HE ARG 55 HE ARG 55 -7.330 -5.856 2.839 261 HH11 ARG 55 HH11 ARG 55 -5.922 -9.090 2.692 262 HH12 ARG 55 HH12 ARG 55 -6.758 -9.500 1.224 263 HH21 ARG 55 HH21 ARG 55 -8.380 -6.411 0.928 264 HH22 ARG 55 HH22 ARG 55 -8.146 -7.986 0.228 265 H GLU 56 H GLU 56 -1.500 -8.168 6.682 266 HA GLU 56 HA GLU 56 -0.646 -5.783 8.038 267 HB2 GLU 56 HB2 GLU 56 -0.562 -8.705 8.892 268 HB3 GLU 56 HB3 GLU 56 -0.242 -7.339 9.956 269 HG2 GLU 56 HG2 GLU 56 -2.552 -6.511 9.545 270 HG3 GLU 56 HG3 GLU 56 -2.858 -7.932 8.553 271 H ASP 57 H ASP 57 1.009 -8.434 6.444 272 HA ASP 57 HA ASP 57 3.691 -7.903 7.199 273 HB2 ASP 57 HB2 ASP 57 3.053 -9.932 5.966 274 HB3 ASP 57 HB3 ASP 57 2.489 -8.978 4.604 275 H LEU 58 H LEU 58 1.717 -6.769 4.497 276 HA LEU 58 HA LEU 58 3.590 -4.936 3.403 277 HB2 LEU 58 HB2 LEU 58 0.575 -5.132 3.044 278 HB3 LEU 58 HB3 LEU 58 1.642 -4.149 2.050 279 HG LEU 58 HG LEU 58 1.824 -7.181 2.259 280 HD11 LEU 58 HD11 LEU 58 0.581 -5.545 0.037 281 HD12 LEU 58 HD12 LEU 58 -0.272 -6.581 1.183 282 HD13 LEU 58 HD13 LEU 58 0.843 -7.292 0.019 283 HD21 LEU 58 HD21 LEU 58 3.972 -6.142 1.679 284 HD22 LEU 58 HD22 LEU 58 3.214 -5.306 0.322 285 HD23 LEU 58 HD23 LEU 58 3.322 -7.069 0.330 286 H ILE 59 H ILE 59 1.042 -4.568 5.865 287 HA ILE 59 HA ILE 59 1.089 -1.720 6.099 288 HB ILE 59 HB ILE 59 0.406 -3.853 8.193 289 HG12 ILE 59 HG12 ILE 59 -1.436 -1.994 6.623 290 HG13 ILE 59 HG13 ILE 59 -1.166 -3.689 6.250 291 HG21 ILE 59 HG21 ILE 59 1.139 -1.827 9.392 292 HG22 ILE 59 HG22 ILE 59 -0.596 -2.051 9.582 293 HG23 ILE 59 HG23 ILE 59 0.014 -0.836 8.457 294 HD11 ILE 59 HD11 ILE 59 -2.159 -4.305 8.422 295 HD12 ILE 59 HD12 ILE 59 -3.264 -3.398 7.391 296 HD13 ILE 59 HD13 ILE 59 -2.468 -2.596 8.742 297 H LYS 60 H LYS 60 2.748 -4.306 7.902 298 HA LYS 60 HA LYS 60 4.324 -2.921 9.690 299 HB2 LYS 60 HB2 LYS 60 4.149 -5.325 9.773 300 HB3 LYS 60 HB3 LYS 60 4.778 -5.505 8.145 301 HG2 LYS 60 HG2 LYS 60 6.448 -6.275 9.657 302 HG3 LYS 60 HG3 LYS 60 7.022 -4.742 8.998 303 HD2 LYS 60 HD2 LYS 60 6.380 -3.592 11.080 304 HD3 LYS 60 HD3 LYS 60 5.717 -5.097 11.726 305 HE2 LYS 60 HE2 LYS 60 7.994 -6.113 11.604 306 HE3 LYS 60 HE3 LYS 60 8.636 -4.568 11.047 307 HZ1 LYS 60 HZ1 LYS 60 8.997 -4.864 13.387 308 HZ2 LYS 60 HZ2 LYS 60 7.347 -5.085 13.665 309 HZ3 LYS 60 HZ3 LYS 60 7.922 -3.582 13.142 310 H LYS 61 H LYS 61 5.296 -4.034 6.479 311 HA LYS 61 HA LYS 61 7.862 -2.843 6.487 312 HB2 LYS 61 HB2 LYS 61 6.125 -4.083 4.316 313 HB3 LYS 61 HB3 LYS 61 7.749 -3.474 3.986 314 HG2 LYS 61 HG2 LYS 61 8.795 -5.174 5.161 315 HG3 LYS 61 HG3 LYS 61 7.467 -5.356 6.302 316 HD2 LYS 61 HD2 LYS 61 7.699 -7.351 4.931 317 HD3 LYS 61 HD3 LYS 61 6.156 -6.565 4.606 318 HE2 LYS 61 HE2 LYS 61 7.034 -5.657 2.511 319 HE3 LYS 61 HE3 LYS 61 8.631 -6.341 2.859 320 HZ1 LYS 61 HZ1 LYS 61 6.115 -7.831 2.392 321 HZ2 LYS 61 HZ2 LYS 61 7.562 -8.543 2.890 322 HZ3 LYS 61 HZ3 LYS 61 7.476 -7.784 1.385 323 H ALA 62 H ALA 62 4.794 -1.861 4.848 324 HA ALA 62 HA ALA 62 5.856 0.461 3.586 325 HB1 ALA 62 HB1 ALA 62 3.534 1.148 3.223 326 HB2 ALA 62 HB2 ALA 62 2.973 -0.054 4.391 327 HB3 ALA 62 HB3 ALA 62 3.733 -0.571 2.885 328 H ASP 63 H ASP 63 4.633 -0.082 6.827 329 HA ASP 63 HA ASP 63 4.306 2.642 7.630 330 HB2 ASP 63 HB2 ASP 63 3.277 0.795 8.892 331 HB3 ASP 63 HB3 ASP 63 4.861 0.122 9.260 332 H GLU 64 H GLU 64 6.913 0.242 8.084 333 HA GLU 64 HA GLU 64 8.867 2.008 9.139 334 HB2 GLU 64 HB2 GLU 64 9.187 -0.600 7.606 335 HB3 GLU 64 HB3 GLU 64 10.490 0.204 8.482 336 HG2 GLU 64 HG2 GLU 64 9.234 -0.063 10.595 337 HG3 GLU 64 HG3 GLU 64 7.936 -0.872 9.717 338 H LYS 65 H LYS 65 7.807 1.439 5.852 339 HA LYS 65 HA LYS 65 9.994 2.860 4.566 340 HB2 LYS 65 HB2 LYS 65 7.298 1.937 3.493 341 HB3 LYS 65 HB3 LYS 65 8.550 2.673 2.503 342 HG2 LYS 65 HG2 LYS 65 8.785 0.040 3.984 343 HG3 LYS 65 HG3 LYS 65 8.504 0.221 2.257 344 HD2 LYS 65 HD2 LYS 65 10.990 1.114 3.763 345 HD3 LYS 65 HD3 LYS 65 10.864 -0.334 2.764 346 HE2 LYS 65 HE2 LYS 65 10.384 1.143 0.790 347 HE3 LYS 65 HE3 LYS 65 10.669 2.546 1.820 348 HZ1 LYS 65 HZ1 LYS 65 12.922 1.734 2.196 349 HZ2 LYS 65 HZ2 LYS 65 12.620 2.001 0.558 350 HZ3 LYS 65 HZ3 LYS 65 12.637 0.425 1.168 351 H GLY 66 H GLY 66 7.209 3.861 6.285 352 HA2 GLY 66 HA2 GLY 66 6.677 6.063 6.852 353 HA3 GLY 66 HA3 GLY 66 7.691 6.652 5.549 354 H ALA 67 H ALA 67 5.533 4.276 4.444 355 HA ALA 67 HA ALA 67 4.033 6.082 2.819 356 HB1 ALA 67 HB1 ALA 67 4.607 3.816 2.063 357 HB2 ALA 67 HB2 ALA 67 2.861 4.059 2.025 358 HB3 ALA 67 HB3 ALA 67 3.595 3.119 3.329 359 H ASP 68 H ASP 68 1.927 6.765 2.954 360 HA ASP 68 HA ASP 68 0.543 6.615 5.529 361 HB2 ASP 68 HB2 ASP 68 -0.076 8.130 2.957 362 HB3 ASP 68 HB3 ASP 68 -1.124 8.163 4.371 363 H VAL 69 H VAL 69 0.184 5.462 2.190 364 HA VAL 69 HA VAL 69 -1.953 3.608 3.060 365 HB VAL 69 HB VAL 69 -1.977 5.220 0.448 366 HG11 VAL 69 HG11 VAL 69 -3.906 3.000 1.278 367 HG12 VAL 69 HG12 VAL 69 -2.735 2.919 -0.039 368 HG13 VAL 69 HG13 VAL 69 -4.090 4.042 -0.139 369 HG21 VAL 69 HG21 VAL 69 -2.835 6.486 2.388 370 HG22 VAL 69 HG22 VAL 69 -3.987 5.196 2.737 371 HG23 VAL 69 HG23 VAL 69 -4.130 6.127 1.245 372 H VAL 70 H VAL 70 -1.785 1.602 2.337 373 HA VAL 70 HA VAL 70 0.347 0.727 0.503 374 HB VAL 70 HB VAL 70 -1.509 -1.039 2.184 375 HG11 VAL 70 HG11 VAL 70 0.234 -2.759 1.899 376 HG12 VAL 70 HG12 VAL 70 1.204 -1.637 0.944 377 HG13 VAL 70 HG13 VAL 70 -0.359 -2.186 0.339 378 HG21 VAL 70 HG21 VAL 70 -0.356 0.425 3.769 379 HG22 VAL 70 HG22 VAL 70 1.204 0.010 3.059 380 HG23 VAL 70 HG23 VAL 70 0.263 -1.223 3.897 381 H VAL 71 H VAL 71 -0.333 0.528 -1.562 382 HA VAL 71 HA VAL 71 -3.200 0.363 -2.214 383 HB VAL 71 HB VAL 71 -0.812 0.925 -4.036 384 HG11 VAL 71 HG11 VAL 71 -2.751 0.085 -5.300 385 HG12 VAL 71 HG12 VAL 71 -2.471 1.791 -5.652 386 HG13 VAL 71 HG13 VAL 71 -3.783 1.319 -4.572 387 HG21 VAL 71 HG21 VAL 71 -0.989 2.668 -2.332 388 HG22 VAL 71 HG22 VAL 71 -2.703 2.891 -2.695 389 HG23 VAL 71 HG23 VAL 71 -1.484 3.308 -3.901 390 H LEU 72 H LEU 72 -3.708 -1.739 -1.972 391 HA LEU 72 HA LEU 72 -2.198 -3.981 -2.831 392 HB2 LEU 72 HB2 LEU 72 -5.167 -3.752 -2.228 393 HB3 LEU 72 HB3 LEU 72 -4.299 -5.263 -2.456 394 HG LEU 72 HG LEU 72 -4.009 -3.306 -0.147 395 HD11 LEU 72 HD11 LEU 72 -4.874 -6.211 -0.231 396 HD12 LEU 72 HD12 LEU 72 -5.930 -4.814 -0.002 397 HD13 LEU 72 HD13 LEU 72 -4.724 -5.213 1.217 398 HD21 LEU 72 HD21 LEU 72 -2.307 -4.833 0.794 399 HD22 LEU 72 HD22 LEU 72 -1.761 -4.079 -0.699 400 HD23 LEU 72 HD23 LEU 72 -2.305 -5.759 -0.712 401 H THR 73 H THR 73 -1.644 -3.895 -4.933 402 HA THR 73 HA THR 73 -3.647 -3.558 -7.050 403 HB THR 73 HB THR 73 -1.597 -3.728 -8.555 404 HG1 THR 73 HG1 THR 73 0.339 -3.206 -6.867 405 HG21 THR 73 HG21 THR 73 -1.506 -1.607 -6.369 406 HG22 THR 73 HG22 THR 73 -2.451 -1.526 -7.858 407 HG23 THR 73 HG23 THR 73 -0.691 -1.506 -7.932 408 H SER 74 H SER 74 -1.172 -5.925 -6.031 409 HA SER 74 HA SER 74 -2.645 -8.121 -7.377 410 HB2 SER 74 HB2 SER 74 0.380 -7.748 -7.305 411 HB3 SER 74 HB3 SER 74 -0.500 -9.016 -8.163 412 HG SER 74 HG SER 74 -1.505 -6.776 -9.042 413 H GLY 75 H GLY 75 -2.654 -7.274 -4.538 414 HA2 GLY 75 HA2 GLY 75 -2.032 -9.865 -3.321 415 HA3 GLY 75 HA3 GLY 75 -1.115 -8.493 -2.701 416 H GLN 76 H GLN 76 -4.528 -8.684 -3.735 417 HA GLN 76 HA GLN 76 -5.350 -7.775 -1.031 418 HB2 GLN 76 HB2 GLN 76 -7.365 -6.805 -2.099 419 HB3 GLN 76 HB3 GLN 76 -5.877 -6.124 -2.733 420 HG2 GLN 76 HG2 GLN 76 -6.112 -7.656 -4.715 421 HG3 GLN 76 HG3 GLN 76 -7.696 -8.119 -4.094 422 HE21 GLN 76 HE21 GLN 76 -5.806 -5.544 -5.486 423 HE22 GLN 76 HE22 GLN 76 -7.124 -4.523 -5.915 424 H THR 77 H THR 77 -6.083 -10.147 -3.571 425 HA THR 77 HA THR 77 -8.456 -11.083 -2.179 426 HB THR 77 HB THR 77 -8.715 -12.636 -4.114 427 HG1 THR 77 HG1 THR 77 -7.234 -12.405 -5.879 428 HG21 THR 77 HG21 THR 77 -9.127 -10.937 -5.869 429 HG22 THR 77 HG22 THR 77 -8.168 -9.763 -4.967 430 HG23 THR 77 HG23 THR 77 -9.688 -10.359 -4.297 431 H GLU 78 H GLU 78 -6.915 -13.820 -3.529 432 HA GLU 78 HA GLU 78 -5.462 -14.774 -1.290 433 HB2 GLU 78 HB2 GLU 78 -7.625 -14.715 -0.137 434 HB3 GLU 78 HB3 GLU 78 -8.400 -15.598 -1.444 435 HG2 GLU 78 HG2 GLU 78 -7.150 -17.612 -0.891 436 HG3 GLU 78 HG3 GLU 78 -6.215 -16.744 0.324 437 H ASN 79 H ASN 79 -7.677 -15.620 -3.918 438 HA ASN 79 HA ASN 79 -7.252 -18.331 -4.161 439 HB2 ASN 79 HB2 ASN 79 -9.127 -17.182 -5.239 440 HB3 ASN 79 HB3 ASN 79 -8.030 -16.287 -6.281 441 HD21 ASN 79 HD21 ASN 79 -8.971 -17.018 -8.190 442 HD22 ASN 79 HD22 ASN 79 -8.839 -18.652 -8.735 443 H LYS 80 H LYS 80 -5.820 -15.792 -6.209 444 HA LYS 80 HA LYS 80 -3.271 -17.169 -6.331 445 HB2 LYS 80 HB2 LYS 80 -4.518 -18.219 -8.194 446 HB3 LYS 80 HB3 LYS 80 -4.907 -16.633 -8.853 447 HG2 LYS 80 HG2 LYS 80 -2.472 -16.223 -9.219 448 HG3 LYS 80 HG3 LYS 80 -2.137 -17.856 -8.633 449 HD2 LYS 80 HD2 LYS 80 -3.442 -18.812 -10.491 450 HD3 LYS 80 HD3 LYS 80 -3.845 -17.189 -11.066 451 HE2 LYS 80 HE2 LYS 80 -1.449 -16.753 -11.515 452 HE3 LYS 80 HE3 LYS 80 -1.042 -18.364 -10.914 453 HZ1 LYS 80 HZ1 LYS 80 -1.147 -18.285 -13.318 454 HZ2 LYS 80 HZ2 LYS 80 -2.763 -17.798 -13.262 455 HZ3 LYS 80 HZ3 LYS 80 -2.320 -19.330 -12.697 456 H ILE 81 H ILE 81 -2.524 -15.344 -5.240 457 HA ILE 81 HA ILE 81 -2.015 -13.047 -7.018 458 HB ILE 81 HB ILE 81 -1.856 -11.564 -4.921 459 HG12 ILE 81 HG12 ILE 81 -3.678 -12.397 -3.104 460 HG13 ILE 81 HG13 ILE 81 -3.141 -13.982 -3.631 461 HG21 ILE 81 HG21 ILE 81 -3.633 -11.284 -6.557 462 HG22 ILE 81 HG22 ILE 81 -4.250 -10.988 -4.931 463 HG23 ILE 81 HG23 ILE 81 -4.612 -12.510 -5.748 464 HD11 ILE 81 HD11 ILE 81 -1.386 -11.829 -2.450 465 HD12 ILE 81 HD12 ILE 81 -0.866 -13.451 -2.921 466 HD13 ILE 81 HD13 ILE 81 -2.022 -13.241 -1.605 467 H HIS 82 H HIS 82 0.089 -12.537 -7.256 468 HA HIS 82 HA HIS 82 2.116 -14.139 -5.959 469 HB2 HIS 82 HB2 HIS 82 3.750 -12.912 -7.337 470 HB3 HIS 82 HB3 HIS 82 2.419 -13.504 -8.315 471 HD1 HIS 82 HD1 HIS 82 1.245 -11.819 -9.758 472 HD2 HIS 82 HD2 HIS 82 3.668 -10.012 -6.905 473 HE1 HIS 82 HE1 HIS 82 1.382 -9.404 -10.421 474 HE2 HIS 82 HE2 HIS 82 2.900 -8.337 -8.724 475 H GLY 83 H GLY 83 0.526 -11.193 -5.278 476 HA2 GLY 83 HA2 GLY 83 0.519 -10.017 -3.311 477 HA3 GLY 83 HA3 GLY 83 1.841 -11.014 -2.732 478 H THR 84 H THR 84 1.076 -8.310 -4.879 479 HA THR 84 HA THR 84 3.387 -6.873 -3.763 480 HB THR 84 HB THR 84 3.540 -5.586 -6.003 481 HG1 THR 84 HG1 THR 84 2.045 -6.159 -7.361 482 HG21 THR 84 HG21 THR 84 5.310 -7.151 -5.312 483 HG22 THR 84 HG22 THR 84 5.059 -7.192 -7.056 484 HG23 THR 84 HG23 THR 84 4.424 -8.493 -6.047 485 H ALA 85 H ALA 85 3.059 -4.725 -3.415 486 HA ALA 85 HA ALA 85 0.510 -3.436 -3.995 487 HB1 ALA 85 HB1 ALA 85 0.099 -4.586 -1.858 488 HB2 ALA 85 HB2 ALA 85 0.138 -2.838 -1.625 489 HB3 ALA 85 HB3 ALA 85 1.527 -3.827 -1.153 490 H ASP 86 H ASP 86 0.833 -1.351 -4.419 491 HA ASP 86 HA ASP 86 3.564 -0.308 -4.424 492 HB2 ASP 86 HB2 ASP 86 0.947 0.882 -5.473 493 HB3 ASP 86 HB3 ASP 86 2.546 1.582 -5.719 494 H ILE 87 H ILE 87 4.323 1.092 -2.918 495 HA ILE 87 HA ILE 87 2.480 1.910 -0.769 496 HB ILE 87 HB ILE 87 4.549 2.415 0.541 497 HG12 ILE 87 HG12 ILE 87 6.042 1.234 -1.852 498 HG13 ILE 87 HG13 ILE 87 6.110 2.913 -1.345 499 HG21 ILE 87 HG21 ILE 87 3.437 0.220 0.700 500 HG22 ILE 87 HG22 ILE 87 5.179 0.053 0.907 501 HG23 ILE 87 HG23 ILE 87 4.429 -0.395 -0.627 502 HD11 ILE 87 HD11 ILE 87 7.134 0.551 0.220 503 HD12 ILE 87 HD12 ILE 87 7.220 2.241 0.727 504 HD13 ILE 87 HD13 ILE 87 8.100 1.700 -0.702 505 H TYR 88 H TYR 88 1.976 3.921 -0.308 506 HA TYR 88 HA TYR 88 2.995 6.154 -1.958 507 HB2 TYR 88 HB2 TYR 88 0.132 5.196 -1.671 508 HB3 TYR 88 HB3 TYR 88 0.445 6.900 -1.939 509 HD1 TYR 88 HD2 TYR 88 1.205 3.529 -3.465 510 HD2 TYR 88 HD1 TYR 88 0.559 7.698 -4.153 511 HE1 TYR 88 HE2 TYR 88 1.194 3.138 -5.890 512 HE2 TYR 88 HE1 TYR 88 0.548 7.293 -6.573 513 HH TYR 88 HH TYR 88 1.448 5.595 -8.155 514 H LYS 89 H LYS 89 2.950 8.086 -1.017 515 HA LYS 89 HA LYS 89 2.029 8.392 1.774 516 HB2 LYS 89 HB2 LYS 89 4.144 9.875 0.148 517 HB3 LYS 89 HB3 LYS 89 3.508 10.497 1.663 518 HG2 LYS 89 HG2 LYS 89 4.251 8.244 2.692 519 HG3 LYS 89 HG3 LYS 89 5.179 8.022 1.206 520 HD2 LYS 89 HD2 LYS 89 6.591 8.973 2.980 521 HD3 LYS 89 HD3 LYS 89 6.401 10.139 1.663 522 HE2 LYS 89 HE2 LYS 89 6.184 11.196 3.918 523 HE3 LYS 89 HE3 LYS 89 4.720 11.372 2.949 524 HZ1 LYS 89 HZ1 LYS 89 5.157 9.390 5.119 525 HZ2 LYS 89 HZ2 LYS 89 3.766 9.484 4.164 526 HZ3 LYS 89 HZ3 LYS 89 4.164 10.755 5.195 527 H LYS 90 H LYS 90 0.826 10.311 2.249 528 HA LYS 90 HA LYS 90 -0.825 11.231 0.036 529 HB2 LYS 90 HB2 LYS 90 -1.709 10.622 2.369 530 HB3 LYS 90 HB3 LYS 90 -1.011 12.127 2.942 531 HG2 LYS 90 HG2 LYS 90 -2.461 13.371 1.307 532 HG3 LYS 90 HG3 LYS 90 -3.155 11.844 0.808 533 HD2 LYS 90 HD2 LYS 90 -4.651 13.006 2.373 534 HD3 LYS 90 HD3 LYS 90 -4.073 11.489 3.061 535 HE2 LYS 90 HE2 LYS 90 -2.433 12.735 4.430 536 HE3 LYS 90 HE3 LYS 90 -2.994 14.257 3.731 537 HZ1 LYS 90 HZ1 LYS 90 -4.616 12.376 5.359 538 HZ2 LYS 90 HZ2 LYS 90 -5.180 13.817 4.681 539 HZ3 LYS 90 HZ3 LYS 90 -3.989 13.857 5.879 540 H LYS 91 H LYS 91 -0.077 12.809 -1.208 541 HA LYS 91 HA LYS 91 1.937 14.673 -0.693 542 HB2 LYS 91 HB2 LYS 91 -0.435 14.914 -2.597 543 HB3 LYS 91 HB3 LYS 91 0.977 15.966 -2.634 544 HG2 LYS 91 HG2 LYS 91 2.406 14.141 -3.302 545 HG3 LYS 91 HG3 LYS 91 1.117 12.968 -3.031 546 HD2 LYS 91 HD2 LYS 91 1.355 13.338 -5.412 547 HD3 LYS 91 HD3 LYS 91 -0.188 14.005 -4.887 548 HE2 LYS 91 HE2 LYS 91 0.852 16.275 -4.869 549 HE3 LYS 91 HE3 LYS 91 2.345 15.569 -5.492 550 HZ1 LYS 91 HZ1 LYS 91 -0.296 15.572 -6.843 551 HZ2 LYS 91 HZ2 LYS 91 1.099 14.820 -7.438 552 HZ3 LYS 91 HZ3 LYS 91 1.054 16.502 -7.265 553 H LEU 92 H LEU 92 1.819 15.785 1.122 554 HA LEU 92 HA LEU 92 -0.530 16.734 2.373 555 HB2 LEU 92 HB2 LEU 92 1.820 16.061 3.328 556 HB3 LEU 92 HB3 LEU 92 2.291 17.707 2.964 557 HG LEU 92 HG LEU 92 -0.068 17.076 4.770 558 HD11 LEU 92 HD11 LEU 92 1.898 15.971 5.739 559 HD12 LEU 92 HD12 LEU 92 1.378 17.333 6.725 560 HD13 LEU 92 HD13 LEU 92 2.797 17.491 5.684 561 HD21 LEU 92 HD21 LEU 92 -0.005 19.377 3.962 562 HD22 LEU 92 HD22 LEU 92 1.656 19.565 4.527 563 HD23 LEU 92 HD23 LEU 92 0.345 19.327 5.682 564 H GLU 93 H GLU 93 -1.325 18.804 2.561 565 HA GLU 93 HA GLU 93 -1.452 20.470 0.373 566 HB2 GLU 93 HB2 GLU 93 -3.112 20.380 2.226 567 HB3 GLU 93 HB3 GLU 93 -1.966 21.180 3.293 568 HG2 GLU 93 HG2 GLU 93 -2.068 23.199 1.898 569 HG3 GLU 93 HG3 GLU 93 -3.175 22.389 0.791 570 H HIS 94 H HIS 94 0.038 21.631 3.459 571 HA HIS 94 HA HIS 94 2.469 22.487 2.063 572 HB2 HIS 94 HB2 HIS 94 0.679 24.485 3.528 573 HB3 HIS 94 HB3 HIS 94 2.344 24.817 3.051 574 HD1 HIS 94 HD1 HIS 94 2.789 24.863 0.407 575 HD2 HIS 94 HD2 HIS 94 -1.215 24.872 1.541 576 HE1 HIS 94 HE1 HIS 94 1.502 25.507 -1.659 577 HE2 HIS 94 HE2 HIS 94 -0.912 25.278 -1.004 578 H HIS 95 H HIS 95 1.015 23.341 5.223 579 HA HIS 95 HA HIS 95 2.927 21.596 6.630 580 HB2 HIS 95 HB2 HIS 95 3.862 23.922 6.635 581 HB3 HIS 95 HB3 HIS 95 2.384 24.509 7.392 582 HD1 HIS 95 HD1 HIS 95 2.818 24.933 9.804 583 HD2 HIS 95 HD2 HIS 95 4.899 21.607 8.439 584 HE1 HIS 95 HE1 HIS 95 4.105 24.083 11.791 585 HE2 HIS 95 HE2 HIS 95 5.476 22.170 10.896 586 H HIS 96 H HIS 96 1.366 20.161 7.077 587 HA HIS 96 HA HIS 96 -0.526 19.129 7.654 588 HB2 HIS 96 HB2 HIS 96 -0.566 21.208 9.872 589 HB3 HIS 96 HB3 HIS 96 -1.633 19.809 9.815 590 HD1 HIS 96 HD1 HIS 96 0.797 20.569 11.900 591 HD2 HIS 96 HD2 HIS 96 0.671 17.518 9.077 592 HE1 HIS 96 HE1 HIS 96 2.425 18.839 12.710 593 HE2 HIS 96 HE2 HIS 96 2.157 16.916 11.112 594 H HIS 97 H HIS 97 -1.828 22.261 8.654 595 HA HIS 97 HA HIS 97 -3.260 23.059 6.400 596 HB2 HIS 97 HB2 HIS 97 -5.561 22.317 6.898 597 HB3 HIS 97 HB3 HIS 97 -4.531 20.904 6.677 598 HD1 HIS 97 HD1 HIS 97 -6.666 22.634 9.169 599 HD2 HIS 97 HD2 HIS 97 -4.001 19.452 9.109 600 HE1 HIS 97 HE1 HIS 97 -7.043 21.405 11.315 601 HE2 HIS 97 HE2 HIS 97 -5.252 19.648 11.361 602 H HIS 98 H HIS 98 -1.779 24.076 8.736 603 HA HIS 98 HA HIS 98 -1.733 25.247 10.644 604 HB2 HIS 98 HB2 HIS 98 -3.137 26.999 9.689 605 HB3 HIS 98 HB3 HIS 98 -4.589 26.036 9.917 606 HD1 HIS 98 HD1 HIS 98 -5.956 27.031 11.704 607 HD2 HIS 98 HD2 HIS 98 -1.906 27.351 12.577 608 HE1 HIS 98 HE1 HIS 98 -5.841 28.232 13.898 609 HE2 HIS 98 HE2 HIS 98 -3.392 28.282 14.485 610 H HIS 99 H HIS 99 -1.528 24.124 12.451 611 HA HIS 99 HA HIS 99 -1.849 22.850 14.260 612 HB2 HIS 99 HB2 HIS 99 -4.128 23.645 14.601 613 HB3 HIS 99 HB3 HIS 99 -4.751 22.554 13.375 614 HD1 HIS 99 HD1 HIS 99 -3.384 22.568 16.886 615 HD2 HIS 99 HD2 HIS 99 -5.311 19.968 14.274 616 HE1 HIS 99 HE1 HIS 99 -4.065 20.592 18.279 617 HE2 HIS 99 HE2 HIS 99 -5.042 18.956 16.640 Start of MODEL 12 1 H1 ALA 22 H1 ALA 22 1.344 3.359 8.148 2 H2 ALA 22 H2 ALA 22 0.586 1.958 8.703 3 H3 ALA 22 H3 ALA 22 -0.250 3.424 8.715 4 HA ALA 22 HA ALA 22 -0.212 3.521 6.327 5 HB1 ALA 22 HB1 ALA 22 0.622 1.606 5.018 6 HB2 ALA 22 HB2 ALA 22 1.139 0.806 6.506 7 HB3 ALA 22 HB3 ALA 22 1.913 2.308 5.998 8 H GLU 23 H GLU 23 -1.819 2.300 4.980 9 HA GLU 23 HA GLU 23 -3.526 0.397 6.427 10 HB2 GLU 23 HB2 GLU 23 -5.573 1.752 6.029 11 HB3 GLU 23 HB3 GLU 23 -4.446 2.564 7.110 12 HG2 GLU 23 HG2 GLU 23 -3.703 4.033 5.282 13 HG3 GLU 23 HG3 GLU 23 -4.759 3.190 4.150 14 H ILE 24 H ILE 24 -4.932 -0.791 5.078 15 HA ILE 24 HA ILE 24 -3.983 -1.145 2.364 16 HB ILE 24 HB ILE 24 -6.067 -2.632 4.015 17 HG12 ILE 24 HG12 ILE 24 -3.687 -2.922 4.702 18 HG13 ILE 24 HG13 ILE 24 -4.406 -4.423 4.141 19 HG21 ILE 24 HG21 ILE 24 -5.119 -3.336 1.218 20 HG22 ILE 24 HG22 ILE 24 -6.752 -2.842 1.675 21 HG23 ILE 24 HG23 ILE 24 -6.100 -4.377 2.251 22 HD11 ILE 24 HD11 ILE 24 -2.530 -2.667 2.551 23 HD12 ILE 24 HD12 ILE 24 -3.229 -4.193 2.002 24 HD13 ILE 24 HD13 ILE 24 -2.114 -4.171 3.367 25 H MET 25 H MET 25 -4.890 -0.322 0.560 26 HA MET 25 HA MET 25 -7.796 0.189 0.434 27 HB2 MET 25 HB2 MET 25 -5.664 2.064 -0.722 28 HB3 MET 25 HB3 MET 25 -7.396 2.201 -1.007 29 HG2 MET 25 HG2 MET 25 -7.756 2.655 1.393 30 HG3 MET 25 HG3 MET 25 -6.021 2.515 1.676 31 HE1 MET 25 HE1 MET 25 -8.884 4.674 0.016 32 HE2 MET 25 HE2 MET 25 -7.906 4.225 -1.383 33 HE3 MET 25 HE3 MET 25 -7.946 5.901 -0.834 34 H LYS 26 H LYS 26 -8.718 -0.174 -1.642 35 HA LYS 26 HA LYS 26 -7.344 -1.903 -3.496 36 HB2 LYS 26 HB2 LYS 26 -10.035 -0.481 -3.565 37 HB3 LYS 26 HB3 LYS 26 -9.456 -1.407 -4.944 38 HG2 LYS 26 HG2 LYS 26 -9.937 -2.525 -2.162 39 HG3 LYS 26 HG3 LYS 26 -11.035 -2.679 -3.541 40 HD2 LYS 26 HD2 LYS 26 -9.156 -3.851 -4.789 41 HD3 LYS 26 HD3 LYS 26 -8.233 -3.842 -3.281 42 HE2 LYS 26 HE2 LYS 26 -10.019 -5.183 -2.206 43 HE3 LYS 26 HE3 LYS 26 -10.910 -5.206 -3.731 44 HZ1 LYS 26 HZ1 LYS 26 -8.199 -6.338 -3.295 45 HZ2 LYS 26 HZ2 LYS 26 -9.051 -6.356 -4.756 46 HZ3 LYS 26 HZ3 LYS 26 -9.632 -7.225 -3.429 47 H LYS 27 H LYS 27 -7.056 -1.350 -5.832 48 HA LYS 27 HA LYS 27 -5.764 1.144 -6.288 49 HB2 LYS 27 HB2 LYS 27 -5.166 -0.872 -7.573 50 HB3 LYS 27 HB3 LYS 27 -6.773 -0.927 -8.286 51 HG2 LYS 27 HG2 LYS 27 -5.121 -0.045 -9.880 52 HG3 LYS 27 HG3 LYS 27 -6.345 1.166 -9.498 53 HD2 LYS 27 HD2 LYS 27 -4.678 2.144 -7.813 54 HD3 LYS 27 HD3 LYS 27 -3.467 1.059 -8.500 55 HE2 LYS 27 HE2 LYS 27 -3.282 3.300 -9.485 56 HE3 LYS 27 HE3 LYS 27 -3.787 2.144 -10.720 57 HZ1 LYS 27 HZ1 LYS 27 -5.021 4.261 -10.762 58 HZ2 LYS 27 HZ2 LYS 27 -5.645 3.922 -9.230 59 HZ3 LYS 27 HZ3 LYS 27 -6.032 2.924 -10.540 60 H THR 28 H THR 28 -9.025 -0.026 -6.870 61 HA THR 28 HA THR 28 -10.057 2.095 -8.405 62 HB THR 28 HB THR 28 -11.495 0.239 -6.456 63 HG1 THR 28 HG1 THR 28 -11.592 -1.144 -8.090 64 HG21 THR 28 HG21 THR 28 -13.546 0.729 -7.752 65 HG22 THR 28 HG22 THR 28 -12.664 1.924 -8.707 66 HG23 THR 28 HG23 THR 28 -12.922 2.186 -6.979 67 H ASP 29 H ASP 29 -10.293 1.510 -4.851 68 HA ASP 29 HA ASP 29 -11.544 3.973 -4.193 69 HB2 ASP 29 HB2 ASP 29 -9.915 2.077 -2.447 70 HB3 ASP 29 HB3 ASP 29 -10.832 3.446 -1.818 71 H PHE 30 H PHE 30 -8.167 2.987 -4.393 72 HA PHE 30 HA PHE 30 -6.955 5.291 -3.347 73 HB2 PHE 30 HB2 PHE 30 -5.473 3.468 -3.625 74 HB3 PHE 30 HB3 PHE 30 -6.009 3.152 -5.274 75 HD1 PHE 30 HD1 PHE 30 -4.268 5.796 -3.241 76 HD2 PHE 30 HD2 PHE 30 -4.677 3.914 -7.065 77 HE1 PHE 30 HE1 PHE 30 -2.510 7.246 -4.167 78 HE2 PHE 30 HE2 PHE 30 -2.911 5.363 -7.963 79 HZ PHE 30 HZ PHE 30 -1.839 7.040 -6.519 80 H ASP 31 H ASP 31 -7.920 4.486 -6.704 81 HA ASP 31 HA ASP 31 -6.641 6.618 -8.004 82 HB2 ASP 31 HB2 ASP 31 -7.494 4.571 -9.133 83 HB3 ASP 31 HB3 ASP 31 -9.148 5.110 -8.872 84 H LYS 32 H LYS 32 -9.907 6.339 -6.701 85 HA LYS 32 HA LYS 32 -11.138 8.705 -7.441 86 HB2 LYS 32 HB2 LYS 32 -11.295 7.348 -4.716 87 HB3 LYS 32 HB3 LYS 32 -12.493 8.462 -5.375 88 HG2 LYS 32 HG2 LYS 32 -13.083 6.855 -7.119 89 HG3 LYS 32 HG3 LYS 32 -11.792 5.772 -6.587 90 HD2 LYS 32 HD2 LYS 32 -12.939 5.511 -4.385 91 HD3 LYS 32 HD3 LYS 32 -14.256 6.541 -4.965 92 HE2 LYS 32 HE2 LYS 32 -13.424 3.883 -6.178 93 HE3 LYS 32 HE3 LYS 32 -14.816 4.136 -5.124 94 HZ1 LYS 32 HZ1 LYS 32 -14.427 5.399 -7.786 95 HZ2 LYS 32 HZ2 LYS 32 -15.777 5.587 -6.783 96 HZ3 LYS 32 HZ3 LYS 32 -15.433 4.079 -7.459 97 H VAL 33 H VAL 33 -8.670 8.201 -4.997 98 HA VAL 33 HA VAL 33 -8.535 11.096 -4.379 99 HB VAL 33 HB VAL 33 -7.780 10.454 -2.055 100 HG11 VAL 33 HG11 VAL 33 -10.032 9.963 -1.159 101 HG12 VAL 33 HG12 VAL 33 -10.594 9.546 -2.780 102 HG13 VAL 33 HG13 VAL 33 -10.090 11.199 -2.417 103 HG21 VAL 33 HG21 VAL 33 -7.061 8.141 -2.484 104 HG22 VAL 33 HG22 VAL 33 -8.724 7.660 -2.821 105 HG23 VAL 33 HG23 VAL 33 -8.268 8.178 -1.195 106 H ALA 34 H ALA 34 -7.075 9.464 -6.398 107 HA ALA 34 HA ALA 34 -4.496 8.676 -5.673 108 HB1 ALA 34 HB1 ALA 34 -3.905 8.911 -8.046 109 HB2 ALA 34 HB2 ALA 34 -5.356 9.883 -8.327 110 HB3 ALA 34 HB3 ALA 34 -5.502 8.188 -7.860 111 H SER 35 H SER 35 -5.702 11.900 -6.362 112 HA SER 35 HA SER 35 -3.260 13.300 -6.675 113 HB2 SER 35 HB2 SER 35 -5.982 14.339 -5.787 114 HB3 SER 35 HB3 SER 35 -4.654 15.327 -6.403 115 HG SER 35 HG SER 35 -6.501 13.875 -7.768 116 H GLU 36 H GLU 36 -4.737 12.019 -3.874 117 HA GLU 36 HA GLU 36 -3.558 13.826 -1.934 118 HB2 GLU 36 HB2 GLU 36 -5.116 11.225 -1.706 119 HB3 GLU 36 HB3 GLU 36 -4.383 11.985 -0.297 120 HG2 GLU 36 HG2 GLU 36 -6.412 13.336 -2.099 121 HG3 GLU 36 HG3 GLU 36 -6.811 12.490 -0.605 122 H TYR 37 H TYR 37 -2.279 11.288 -3.813 123 HA TYR 37 HA TYR 37 -0.272 10.591 -1.734 124 HB2 TYR 37 HB2 TYR 37 -1.692 8.523 -3.466 125 HB3 TYR 37 HB3 TYR 37 -0.487 8.208 -2.225 126 HD1 TYR 37 HD1 TYR 37 -1.098 9.136 0.196 127 HD2 TYR 37 HD2 TYR 37 -3.958 8.285 -2.855 128 HE1 TYR 37 HE1 TYR 37 -2.869 9.036 1.892 129 HE2 TYR 37 HE2 TYR 37 -5.726 8.141 -1.166 130 HH TYR 37 HH TYR 37 -5.961 7.727 1.224 131 H THR 38 H THR 38 1.636 9.497 -2.512 132 HA THR 38 HA THR 38 2.368 9.756 -5.370 133 HB THR 38 HB THR 38 4.683 10.678 -4.471 134 HG1 THR 38 HG1 THR 38 2.931 11.260 -2.298 135 HG21 THR 38 HG21 THR 38 3.941 13.020 -4.595 136 HG22 THR 38 HG22 THR 38 2.263 12.494 -4.462 137 HG23 THR 38 HG23 THR 38 3.216 12.051 -5.880 138 H LYS 39 H LYS 39 3.325 7.868 -6.008 139 HA LYS 39 HA LYS 39 3.773 5.727 -4.194 140 HB2 LYS 39 HB2 LYS 39 3.089 5.438 -6.612 141 HB3 LYS 39 HB3 LYS 39 4.721 5.887 -7.092 142 HG2 LYS 39 HG2 LYS 39 5.618 3.925 -5.884 143 HG3 LYS 39 HG3 LYS 39 3.988 3.491 -5.372 144 HD2 LYS 39 HD2 LYS 39 4.508 2.055 -7.210 145 HD3 LYS 39 HD3 LYS 39 3.385 3.258 -7.837 146 HE2 LYS 39 HE2 LYS 39 6.400 3.419 -8.185 147 HE3 LYS 39 HE3 LYS 39 5.316 2.700 -9.366 148 HZ1 LYS 39 HZ1 LYS 39 5.815 4.915 -10.027 149 HZ2 LYS 39 HZ2 LYS 39 5.390 5.547 -8.523 150 HZ3 LYS 39 HZ3 LYS 39 4.200 4.892 -9.527 151 H ILE 40 H ILE 40 5.495 5.436 -2.912 152 HA ILE 40 HA ILE 40 8.109 6.644 -3.658 153 HB ILE 40 HB ILE 40 8.827 6.341 -1.349 154 HG12 ILE 40 HG12 ILE 40 6.068 5.162 -0.729 155 HG13 ILE 40 HG13 ILE 40 7.562 4.234 -0.820 156 HG21 ILE 40 HG21 ILE 40 7.327 7.957 -0.238 157 HG22 ILE 40 HG22 ILE 40 6.093 7.668 -1.466 158 HG23 ILE 40 HG23 ILE 40 7.629 8.412 -1.917 159 HD11 ILE 40 HD11 ILE 40 6.975 4.671 1.471 160 HD12 ILE 40 HD12 ILE 40 6.944 6.407 1.177 161 HD13 ILE 40 HD13 ILE 40 8.468 5.516 1.067 162 H GLY 41 H GLY 41 6.487 3.751 -3.939 163 HA2 GLY 41 HA2 GLY 41 8.422 2.412 -5.303 164 HA3 GLY 41 HA3 GLY 41 8.710 1.930 -3.637 165 H THR 42 H THR 42 8.220 -0.133 -5.014 166 HA THR 42 HA THR 42 5.466 -0.924 -4.246 167 HB THR 42 HB THR 42 5.871 -2.895 -5.906 168 HG1 THR 42 HG1 THR 42 7.733 -1.066 -7.047 169 HG21 THR 42 HG21 THR 42 4.240 -1.106 -6.395 170 HG22 THR 42 HG22 THR 42 5.057 -1.658 -7.858 171 HG23 THR 42 HG23 THR 42 5.527 -0.129 -7.107 172 H ILE 43 H ILE 43 5.359 -2.537 -2.748 173 HA ILE 43 HA ILE 43 7.854 -3.997 -1.996 174 HB ILE 43 HB ILE 43 6.792 -4.336 0.263 175 HG12 ILE 43 HG12 ILE 43 4.743 -2.279 -0.702 176 HG13 ILE 43 HG13 ILE 43 4.414 -3.988 -0.449 177 HG21 ILE 43 HG21 ILE 43 7.276 -2.081 1.147 178 HG22 ILE 43 HG22 ILE 43 7.244 -1.424 -0.490 179 HG23 ILE 43 HG23 ILE 43 8.491 -2.586 -0.031 180 HD11 ILE 43 HD11 ILE 43 5.162 -1.985 1.673 181 HD12 ILE 43 HD12 ILE 43 4.879 -3.708 1.941 182 HD13 ILE 43 HD13 ILE 43 3.567 -2.677 1.375 183 H SER 44 H SER 44 7.305 -6.146 -0.901 184 HA SER 44 HA SER 44 4.907 -7.500 -1.816 185 HB2 SER 44 HB2 SER 44 6.422 -7.621 -3.804 186 HB3 SER 44 HB3 SER 44 7.645 -8.414 -2.812 187 HG SER 44 HG SER 44 5.023 -9.461 -3.070 188 H THR 45 H THR 45 4.509 -9.398 -0.696 189 HA THR 45 HA THR 45 5.742 -9.794 1.863 190 HB THR 45 HB THR 45 4.156 -11.753 2.015 191 HG1 THR 45 HG1 THR 45 2.902 -12.290 0.261 192 HG21 THR 45 HG21 THR 45 2.040 -10.484 1.882 193 HG22 THR 45 HG22 THR 45 2.844 -9.222 0.948 194 HG23 THR 45 HG23 THR 45 3.312 -9.505 2.626 195 H THR 46 H THR 46 6.573 -12.008 2.559 196 HA THR 46 HA THR 46 8.688 -13.036 1.059 197 HB THR 46 HB THR 46 7.051 -14.654 3.076 198 HG1 THR 46 HG1 THR 46 8.771 -13.733 4.534 199 HG21 THR 46 HG21 THR 46 8.786 -15.964 1.866 200 HG22 THR 46 HG22 THR 46 9.202 -15.771 3.569 201 HG23 THR 46 HG23 THR 46 10.008 -14.785 2.347 202 H GLY 47 H GLY 47 5.313 -14.077 1.257 203 HA2 GLY 47 HA2 GLY 47 5.066 -14.813 -1.436 204 HA3 GLY 47 HA3 GLY 47 5.328 -16.278 -0.489 205 H GLU 48 H GLU 48 3.150 -16.868 -1.225 206 HA GLU 48 HA GLU 48 0.868 -15.380 -0.236 207 HB2 GLU 48 HB2 GLU 48 0.953 -18.183 -1.432 208 HB3 GLU 48 HB3 GLU 48 -0.495 -17.230 -1.139 209 HG2 GLU 48 HG2 GLU 48 -0.092 -17.082 -3.460 210 HG3 GLU 48 HG3 GLU 48 0.422 -15.531 -2.802 211 H MET 49 H MET 49 1.337 -15.302 1.974 212 HA MET 49 HA MET 49 1.720 -17.714 3.559 213 HB2 MET 49 HB2 MET 49 1.397 -14.810 4.478 214 HB3 MET 49 HB3 MET 49 2.011 -16.143 5.448 215 HG2 MET 49 HG2 MET 49 4.021 -16.274 4.094 216 HG3 MET 49 HG3 MET 49 3.380 -15.097 2.949 217 HE1 MET 49 HE1 MET 49 2.052 -12.921 5.027 218 HE2 MET 49 HE2 MET 49 2.943 -12.540 3.552 219 HE3 MET 49 HE3 MET 49 3.406 -11.793 5.080 220 H SER 50 H SER 50 -0.365 -15.078 4.612 221 HA SER 50 HA SER 50 -2.832 -16.633 4.209 222 HB2 SER 50 HB2 SER 50 -2.223 -16.889 6.585 223 HB3 SER 50 HB3 SER 50 -1.985 -15.153 6.749 224 HG SER 50 HG SER 50 -4.307 -16.635 6.728 225 HA PRO 51 HA PRO 51 -4.136 -12.886 2.069 226 HB2 PRO 51 HB2 PRO 51 -6.831 -12.732 2.933 227 HB3 PRO 51 HB3 PRO 51 -6.226 -13.686 1.566 228 HG2 PRO 51 HG2 PRO 51 -6.777 -14.576 4.378 229 HG3 PRO 51 HG3 PRO 51 -7.132 -15.403 2.845 230 HD2 PRO 51 HD2 PRO 51 -5.054 -16.176 4.308 231 HD3 PRO 51 HD3 PRO 51 -4.895 -16.077 2.537 232 H LEU 52 H LEU 52 -5.564 -12.889 5.404 233 HA LEU 52 HA LEU 52 -5.592 -10.035 5.636 234 HB2 LEU 52 HB2 LEU 52 -7.167 -11.465 6.896 235 HB3 LEU 52 HB3 LEU 52 -5.832 -12.154 7.801 236 HG LEU 52 HG LEU 52 -5.377 -9.869 8.789 237 HD11 LEU 52 HD11 LEU 52 -7.988 -9.057 7.471 238 HD12 LEU 52 HD12 LEU 52 -6.379 -8.458 7.056 239 HD13 LEU 52 HD13 LEU 52 -7.066 -8.104 8.638 240 HD21 LEU 52 HD21 LEU 52 -6.667 -11.538 10.054 241 HD22 LEU 52 HD22 LEU 52 -8.164 -10.944 9.331 242 HD23 LEU 52 HD23 LEU 52 -7.223 -9.901 10.400 243 H ASP 53 H ASP 53 -3.370 -12.554 6.739 244 HA ASP 53 HA ASP 53 -1.668 -10.986 8.372 245 HB2 ASP 53 HB2 ASP 53 -1.712 -13.450 8.440 246 HB3 ASP 53 HB3 ASP 53 -1.098 -13.529 6.792 247 H ALA 54 H ALA 54 -1.713 -11.688 4.922 248 HA ALA 54 HA ALA 54 0.797 -10.613 4.165 249 HB1 ALA 54 HB1 ALA 54 -0.087 -10.641 1.865 250 HB2 ALA 54 HB2 ALA 54 -1.721 -10.920 2.476 251 HB3 ALA 54 HB3 ALA 54 -0.476 -12.148 2.703 252 H ARG 55 H ARG 55 -2.477 -9.242 4.405 253 HA ARG 55 HA ARG 55 -2.088 -6.685 3.385 254 HB2 ARG 55 HB2 ARG 55 -3.776 -7.455 5.800 255 HB3 ARG 55 HB3 ARG 55 -3.901 -5.926 4.931 256 HG2 ARG 55 HG2 ARG 55 -4.646 -7.136 2.924 257 HG3 ARG 55 HG3 ARG 55 -4.542 -8.666 3.814 258 HD2 ARG 55 HD2 ARG 55 -6.152 -7.588 5.530 259 HD3 ARG 55 HD3 ARG 55 -6.434 -6.344 4.307 260 HE ARG 55 HE ARG 55 -6.775 -8.937 3.227 261 HH11 ARG 55 HH11 ARG 55 -8.428 -6.679 5.370 262 HH12 ARG 55 HH12 ARG 55 -10.003 -7.315 5.011 263 HH21 ARG 55 HH21 ARG 55 -8.856 -9.746 2.770 264 HH22 ARG 55 HH22 ARG 55 -10.238 -9.043 3.548 265 H GLU 56 H GLU 56 -1.681 -7.815 6.746 266 HA GLU 56 HA GLU 56 -0.938 -5.212 7.736 267 HB2 GLU 56 HB2 GLU 56 -0.861 -7.908 9.134 268 HB3 GLU 56 HB3 GLU 56 -0.773 -6.327 9.913 269 HG2 GLU 56 HG2 GLU 56 -3.075 -5.830 8.976 270 HG3 GLU 56 HG3 GLU 56 -3.141 -7.498 8.413 271 H ASP 57 H ASP 57 0.787 -8.063 6.686 272 HA ASP 57 HA ASP 57 3.405 -7.419 7.574 273 HB2 ASP 57 HB2 ASP 57 2.728 -9.645 6.641 274 HB3 ASP 57 HB3 ASP 57 2.502 -8.918 5.058 275 H LEU 58 H LEU 58 1.645 -6.733 4.562 276 HA LEU 58 HA LEU 58 3.561 -5.082 3.292 277 HB2 LEU 58 HB2 LEU 58 0.554 -5.365 2.973 278 HB3 LEU 58 HB3 LEU 58 1.502 -4.326 1.931 279 HG LEU 58 HG LEU 58 1.942 -7.330 2.193 280 HD11 LEU 58 HD11 LEU 58 -0.240 -6.920 1.188 281 HD12 LEU 58 HD12 LEU 58 0.880 -7.562 -0.010 282 HD13 LEU 58 HD13 LEU 58 0.482 -5.841 -0.008 283 HD21 LEU 58 HD21 LEU 58 3.971 -6.113 1.497 284 HD22 LEU 58 HD22 LEU 58 3.084 -5.390 0.152 285 HD23 LEU 58 HD23 LEU 58 3.347 -7.136 0.205 286 H ILE 59 H ILE 59 0.771 -4.269 5.375 287 HA ILE 59 HA ILE 59 0.956 -1.508 5.502 288 HB ILE 59 HB ILE 59 0.115 -3.533 7.614 289 HG12 ILE 59 HG12 ILE 59 -1.591 -1.562 6.028 290 HG13 ILE 59 HG13 ILE 59 -1.306 -3.226 5.531 291 HG21 ILE 59 HG21 ILE 59 0.880 -1.582 8.881 292 HG22 ILE 59 HG22 ILE 59 -0.877 -1.695 8.958 293 HG23 ILE 59 HG23 ILE 59 -0.119 -0.516 7.888 294 HD11 ILE 59 HD11 ILE 59 -2.393 -3.999 7.609 295 HD12 ILE 59 HD12 ILE 59 -3.452 -3.047 6.574 296 HD13 ILE 59 HD13 ILE 59 -2.748 -2.317 8.019 297 H LYS 60 H LYS 60 2.704 -3.966 7.412 298 HA LYS 60 HA LYS 60 4.048 -2.175 9.123 299 HB2 LYS 60 HB2 LYS 60 3.713 -4.631 9.553 300 HB3 LYS 60 HB3 LYS 60 4.937 -4.978 8.338 301 HG2 LYS 60 HG2 LYS 60 5.867 -5.134 10.612 302 HG3 LYS 60 HG3 LYS 60 6.649 -3.840 9.695 303 HD2 LYS 60 HD2 LYS 60 5.250 -2.164 10.846 304 HD3 LYS 60 HD3 LYS 60 4.407 -3.449 11.716 305 HE2 LYS 60 HE2 LYS 60 6.463 -4.035 12.906 306 HE3 LYS 60 HE3 LYS 60 7.377 -2.847 11.968 307 HZ1 LYS 60 HZ1 LYS 60 6.109 -1.089 12.958 308 HZ2 LYS 60 HZ2 LYS 60 6.742 -2.052 14.192 309 HZ3 LYS 60 HZ3 LYS 60 5.110 -2.186 13.769 310 H LYS 61 H LYS 61 5.164 -3.792 6.101 311 HA LYS 61 HA LYS 61 7.781 -2.754 6.004 312 HB2 LYS 61 HB2 LYS 61 6.030 -3.177 3.551 313 HB3 LYS 61 HB3 LYS 61 7.790 -3.209 3.615 314 HG2 LYS 61 HG2 LYS 61 7.728 -5.313 4.855 315 HG3 LYS 61 HG3 LYS 61 5.965 -5.237 4.923 316 HD2 LYS 61 HD2 LYS 61 6.069 -5.172 2.312 317 HD3 LYS 61 HD3 LYS 61 7.737 -5.728 2.507 318 HE2 LYS 61 HE2 LYS 61 5.248 -7.132 3.521 319 HE3 LYS 61 HE3 LYS 61 6.201 -7.602 2.115 320 HZ1 LYS 61 HZ1 LYS 61 8.074 -8.013 3.588 321 HZ2 LYS 61 HZ2 LYS 61 6.726 -8.942 4.024 322 HZ3 LYS 61 HZ3 LYS 61 7.133 -7.577 4.925 323 H ALA 62 H ALA 62 4.764 -1.527 4.573 324 HA ALA 62 HA ALA 62 5.790 0.799 3.345 325 HB1 ALA 62 HB1 ALA 62 3.441 1.480 3.139 326 HB2 ALA 62 HB2 ALA 62 2.967 0.218 4.281 327 HB3 ALA 62 HB3 ALA 62 3.652 -0.223 2.718 328 H ASP 63 H ASP 63 4.598 0.170 6.604 329 HA ASP 63 HA ASP 63 4.265 2.868 7.446 330 HB2 ASP 63 HB2 ASP 63 3.367 0.670 8.546 331 HB3 ASP 63 HB3 ASP 63 4.943 0.558 9.317 332 H GLU 64 H GLU 64 6.875 0.467 7.919 333 HA GLU 64 HA GLU 64 8.742 2.212 9.162 334 HB2 GLU 64 HB2 GLU 64 9.428 -0.299 7.570 335 HB3 GLU 64 HB3 GLU 64 10.410 0.469 8.815 336 HG2 GLU 64 HG2 GLU 64 7.874 -1.138 9.142 337 HG3 GLU 64 HG3 GLU 64 9.467 -1.471 9.806 338 H LYS 65 H LYS 65 7.910 1.597 5.835 339 HA LYS 65 HA LYS 65 10.188 2.873 4.615 340 HB2 LYS 65 HB2 LYS 65 8.503 1.091 3.630 341 HB3 LYS 65 HB3 LYS 65 7.482 2.470 3.268 342 HG2 LYS 65 HG2 LYS 65 8.703 1.904 1.287 343 HG3 LYS 65 HG3 LYS 65 9.365 3.423 1.898 344 HD2 LYS 65 HD2 LYS 65 11.300 2.291 2.808 345 HD3 LYS 65 HD3 LYS 65 10.598 0.706 2.478 346 HE2 LYS 65 HE2 LYS 65 10.761 1.142 0.054 347 HE3 LYS 65 HE3 LYS 65 11.465 2.725 0.386 348 HZ1 LYS 65 HZ1 LYS 65 13.185 1.139 -0.099 349 HZ2 LYS 65 HZ2 LYS 65 12.634 0.095 1.104 350 HZ3 LYS 65 HZ3 LYS 65 13.303 1.590 1.526 351 H GLY 66 H GLY 66 7.323 4.028 6.151 352 HA2 GLY 66 HA2 GLY 66 6.769 6.254 6.607 353 HA3 GLY 66 HA3 GLY 66 7.818 6.797 5.305 354 H ALA 67 H ALA 67 6.000 4.355 3.987 355 HA ALA 67 HA ALA 67 4.234 6.103 2.531 356 HB1 ALA 67 HB1 ALA 67 3.441 4.037 1.442 357 HB2 ALA 67 HB2 ALA 67 4.335 3.065 2.616 358 HB3 ALA 67 HB3 ALA 67 5.202 4.097 1.481 359 H ASP 68 H ASP 68 2.008 6.276 2.696 360 HA ASP 68 HA ASP 68 0.925 5.691 5.372 361 HB2 ASP 68 HB2 ASP 68 0.105 7.747 3.271 362 HB3 ASP 68 HB3 ASP 68 -0.679 7.553 4.840 363 H VAL 69 H VAL 69 0.358 5.037 1.974 364 HA VAL 69 HA VAL 69 -1.954 3.339 2.709 365 HB VAL 69 HB VAL 69 -1.785 5.236 0.326 366 HG11 VAL 69 HG11 VAL 69 -3.856 4.216 -0.574 367 HG12 VAL 69 HG12 VAL 69 -3.757 2.941 0.645 368 HG13 VAL 69 HG13 VAL 69 -2.507 3.079 -0.593 369 HG21 VAL 69 HG21 VAL 69 -3.916 4.842 2.464 370 HG22 VAL 69 HG22 VAL 69 -3.975 6.023 1.153 371 HG23 VAL 69 HG23 VAL 69 -2.739 6.158 2.403 372 H VAL 70 H VAL 70 -1.809 1.344 2.098 373 HA VAL 70 HA VAL 70 0.209 0.390 0.188 374 HB VAL 70 HB VAL 70 -1.494 -1.274 2.111 375 HG11 VAL 70 HG11 VAL 70 1.109 -1.929 0.695 376 HG12 VAL 70 HG12 VAL 70 -0.496 -2.523 0.258 377 HG13 VAL 70 HG13 VAL 70 0.227 -2.995 1.795 378 HG21 VAL 70 HG21 VAL 70 1.277 -0.162 2.666 379 HG22 VAL 70 HG22 VAL 70 0.410 -1.316 3.682 380 HG23 VAL 70 HG23 VAL 70 -0.219 0.318 3.469 381 H VAL 71 H VAL 71 -0.668 0.303 -1.819 382 HA VAL 71 HA VAL 71 -3.551 -0.078 -2.217 383 HB VAL 71 HB VAL 71 -1.378 0.795 -4.184 384 HG11 VAL 71 HG11 VAL 71 -4.389 0.643 -4.607 385 HG12 VAL 71 HG12 VAL 71 -3.174 -0.370 -5.390 386 HG13 VAL 71 HG13 VAL 71 -3.229 1.358 -5.732 387 HG21 VAL 71 HG21 VAL 71 -2.426 3.022 -4.011 388 HG22 VAL 71 HG22 VAL 71 -1.852 2.464 -2.439 389 HG23 VAL 71 HG23 VAL 71 -3.574 2.397 -2.820 390 H LEU 72 H LEU 72 -4.120 -2.132 -2.254 391 HA LEU 72 HA LEU 72 -2.549 -4.229 -3.495 392 HB2 LEU 72 HB2 LEU 72 -5.369 -4.302 -2.347 393 HB3 LEU 72 HB3 LEU 72 -4.463 -5.705 -2.901 394 HG LEU 72 HG LEU 72 -3.814 -3.947 -0.503 395 HD11 LEU 72 HD11 LEU 72 -4.583 -6.877 -0.635 396 HD12 LEU 72 HD12 LEU 72 -5.612 -5.551 -0.089 397 HD13 LEU 72 HD13 LEU 72 -4.166 -5.972 0.824 398 HD21 LEU 72 HD21 LEU 72 -1.710 -4.550 -1.563 399 HD22 LEU 72 HD22 LEU 72 -2.179 -6.252 -1.615 400 HD23 LEU 72 HD23 LEU 72 -1.906 -5.454 -0.063 401 H THR 73 H THR 73 -2.359 -3.408 -5.553 402 HA THR 73 HA THR 73 -4.498 -2.942 -7.381 403 HB THR 73 HB THR 73 -2.652 -3.156 -9.114 404 HG1 THR 73 HG1 THR 73 -0.532 -3.116 -7.484 405 HG21 THR 73 HG21 THR 73 -1.380 -1.165 -8.374 406 HG22 THR 73 HG22 THR 73 -2.021 -1.359 -6.741 407 HG23 THR 73 HG23 THR 73 -3.108 -0.969 -8.077 408 H SER 74 H SER 74 -2.576 -5.728 -6.443 409 HA SER 74 HA SER 74 -3.594 -7.594 -8.356 410 HB2 SER 74 HB2 SER 74 -2.242 -8.082 -5.663 411 HB3 SER 74 HB3 SER 74 -2.449 -9.277 -6.948 412 HG SER 74 HG SER 74 -1.278 -7.288 -8.122 413 H GLY 75 H GLY 75 -5.247 -9.101 -8.118 414 HA2 GLY 75 HA2 GLY 75 -7.415 -8.547 -6.318 415 HA3 GLY 75 HA3 GLY 75 -7.315 -9.862 -7.477 416 H GLN 76 H GLN 76 -6.763 -8.899 -4.180 417 HA GLN 76 HA GLN 76 -5.441 -11.197 -3.180 418 HB2 GLN 76 HB2 GLN 76 -5.571 -9.097 -1.912 419 HB3 GLN 76 HB3 GLN 76 -7.298 -9.279 -1.714 420 HG2 GLN 76 HG2 GLN 76 -6.709 -11.504 -0.498 421 HG3 GLN 76 HG3 GLN 76 -5.067 -10.870 -0.418 422 HE21 GLN 76 HE21 GLN 76 -5.978 -8.078 -0.025 423 HE22 GLN 76 HE22 GLN 76 -6.570 -8.000 1.590 424 H THR 77 H THR 77 -6.469 -12.846 -4.216 425 HA THR 77 HA THR 77 -8.756 -14.010 -2.799 426 HB THR 77 HB THR 77 -8.534 -14.158 -5.852 427 HG1 THR 77 HG1 THR 77 -9.723 -12.159 -4.254 428 HG21 THR 77 HG21 THR 77 -9.938 -15.870 -4.776 429 HG22 THR 77 HG22 THR 77 -10.912 -14.756 -5.739 430 HG23 THR 77 HG23 THR 77 -10.875 -14.611 -3.977 431 H GLU 78 H GLU 78 -5.727 -14.116 -3.083 432 HA GLU 78 HA GLU 78 -3.939 -15.417 -3.323 433 HB2 GLU 78 HB2 GLU 78 -5.791 -17.732 -2.640 434 HB3 GLU 78 HB3 GLU 78 -4.054 -17.651 -2.365 435 HG2 GLU 78 HG2 GLU 78 -6.271 -16.219 -0.881 436 HG3 GLU 78 HG3 GLU 78 -5.042 -17.303 -0.235 437 H ASN 79 H ASN 79 -5.696 -15.031 -5.745 438 HA ASN 79 HA ASN 79 -5.273 -17.410 -7.374 439 HB2 ASN 79 HB2 ASN 79 -6.409 -14.680 -8.136 440 HB3 ASN 79 HB3 ASN 79 -6.376 -16.088 -9.191 441 HD21 ASN 79 HD21 ASN 79 -8.673 -14.632 -8.526 442 HD22 ASN 79 HD22 ASN 79 -9.743 -15.678 -7.662 443 H LYS 80 H LYS 80 -2.988 -17.485 -7.290 444 HA LYS 80 HA LYS 80 -0.932 -17.351 -8.187 445 HB2 LYS 80 HB2 LYS 80 -2.326 -15.830 -10.435 446 HB3 LYS 80 HB3 LYS 80 -0.712 -16.534 -10.535 447 HG2 LYS 80 HG2 LYS 80 -1.672 -18.792 -10.236 448 HG3 LYS 80 HG3 LYS 80 -3.289 -18.087 -10.124 449 HD2 LYS 80 HD2 LYS 80 -3.010 -17.192 -12.459 450 HD3 LYS 80 HD3 LYS 80 -1.447 -18.012 -12.555 451 HE2 LYS 80 HE2 LYS 80 -4.128 -19.376 -12.140 452 HE3 LYS 80 HE3 LYS 80 -3.251 -19.294 -13.665 453 HZ1 LYS 80 HZ1 LYS 80 -1.467 -20.572 -12.687 454 HZ2 LYS 80 HZ2 LYS 80 -2.931 -21.402 -12.521 455 HZ3 LYS 80 HZ3 LYS 80 -2.262 -20.610 -11.192 456 H ILE 81 H ILE 81 -2.048 -15.015 -6.509 457 HA ILE 81 HA ILE 81 -0.594 -12.684 -7.294 458 HB ILE 81 HB ILE 81 -1.122 -11.735 -5.097 459 HG12 ILE 81 HG12 ILE 81 -2.254 -14.470 -4.297 460 HG13 ILE 81 HG13 ILE 81 -0.775 -13.760 -3.660 461 HG21 ILE 81 HG21 ILE 81 -2.866 -11.660 -6.815 462 HG22 ILE 81 HG22 ILE 81 -3.592 -11.800 -5.216 463 HG23 ILE 81 HG23 ILE 81 -3.507 -13.214 -6.269 464 HD11 ILE 81 HD11 ILE 81 -2.582 -13.523 -2.086 465 HD12 ILE 81 HD12 ILE 81 -3.569 -12.689 -3.284 466 HD13 ILE 81 HD13 ILE 81 -2.093 -11.934 -2.674 467 H HIS 82 H HIS 82 1.291 -11.821 -6.343 468 HA HIS 82 HA HIS 82 3.124 -13.748 -5.023 469 HB2 HIS 82 HB2 HIS 82 3.799 -11.210 -6.589 470 HB3 HIS 82 HB3 HIS 82 4.967 -12.337 -5.902 471 HD1 HIS 82 HD1 HIS 82 5.740 -14.169 -7.458 472 HD2 HIS 82 HD2 HIS 82 2.133 -12.514 -8.675 473 HE1 HIS 82 HE1 HIS 82 5.196 -15.272 -9.646 474 HE2 HIS 82 HE2 HIS 82 3.081 -14.155 -10.427 475 H GLY 83 H GLY 83 0.986 -11.530 -4.160 476 HA2 GLY 83 HA2 GLY 83 0.589 -10.369 -2.229 477 HA3 GLY 83 HA3 GLY 83 2.097 -11.006 -1.588 478 H THR 84 H THR 84 1.517 -8.997 -4.453 479 HA THR 84 HA THR 84 3.600 -7.104 -3.581 480 HB THR 84 HB THR 84 3.683 -6.380 -5.973 481 HG1 THR 84 HG1 THR 84 1.531 -6.818 -6.583 482 HG21 THR 84 HG21 THR 84 3.869 -9.408 -5.696 483 HG22 THR 84 HG22 THR 84 5.154 -8.258 -5.331 484 HG23 THR 84 HG23 THR 84 4.594 -8.446 -6.993 485 H ALA 85 H ALA 85 3.191 -4.935 -3.457 486 HA ALA 85 HA ALA 85 0.528 -3.858 -4.009 487 HB1 ALA 85 HB1 ALA 85 0.413 -4.710 -1.700 488 HB2 ALA 85 HB2 ALA 85 0.319 -2.949 -1.736 489 HB3 ALA 85 HB3 ALA 85 1.824 -3.747 -1.262 490 H ASP 86 H ASP 86 0.562 -1.739 -4.523 491 HA ASP 86 HA ASP 86 3.165 -0.428 -4.903 492 HB2 ASP 86 HB2 ASP 86 0.325 0.419 -5.692 493 HB3 ASP 86 HB3 ASP 86 1.792 1.306 -6.110 494 H ILE 87 H ILE 87 3.899 1.090 -3.422 495 HA ILE 87 HA ILE 87 1.983 1.865 -1.296 496 HB ILE 87 HB ILE 87 3.933 2.221 0.205 497 HG12 ILE 87 HG12 ILE 87 5.582 0.844 -1.974 498 HG13 ILE 87 HG13 ILE 87 5.704 2.549 -1.555 499 HG21 ILE 87 HG21 ILE 87 2.604 0.177 0.281 500 HG22 ILE 87 HG22 ILE 87 4.293 -0.176 0.646 501 HG23 ILE 87 HG23 ILE 87 3.634 -0.570 -0.945 502 HD11 ILE 87 HD11 ILE 87 6.493 1.949 0.672 503 HD12 ILE 87 HD12 ILE 87 7.510 1.268 -0.597 504 HD13 ILE 87 HD13 ILE 87 6.364 0.237 0.259 505 H TYR 88 H TYR 88 1.700 3.822 -0.711 506 HA TYR 88 HA TYR 88 2.803 6.026 -2.328 507 HB2 TYR 88 HB2 TYR 88 -0.105 5.334 -1.696 508 HB3 TYR 88 HB3 TYR 88 0.393 6.927 -2.256 509 HD1 TYR 88 HD2 TYR 88 0.150 3.350 -3.232 510 HD2 TYR 88 HD1 TYR 88 0.899 7.324 -4.588 511 HE1 TYR 88 HE2 TYR 88 0.005 2.582 -5.557 512 HE2 TYR 88 HE1 TYR 88 0.763 6.554 -6.915 513 HH TYR 88 HH TYR 88 -0.425 3.457 -7.766 514 H LYS 89 H LYS 89 3.012 7.914 -1.264 515 HA LYS 89 HA LYS 89 2.573 7.955 1.640 516 HB2 LYS 89 HB2 LYS 89 4.986 8.197 0.576 517 HB3 LYS 89 HB3 LYS 89 4.459 9.816 0.150 518 HG2 LYS 89 HG2 LYS 89 3.938 10.223 2.585 519 HG3 LYS 89 HG3 LYS 89 4.639 8.645 2.943 520 HD2 LYS 89 HD2 LYS 89 6.334 10.281 3.396 521 HD3 LYS 89 HD3 LYS 89 6.805 9.463 1.902 522 HE2 LYS 89 HE2 LYS 89 7.136 11.910 1.754 523 HE3 LYS 89 HE3 LYS 89 5.934 11.358 0.584 524 HZ1 LYS 89 HZ1 LYS 89 4.188 12.181 1.954 525 HZ2 LYS 89 HZ2 LYS 89 5.335 13.414 1.826 526 HZ3 LYS 89 HZ3 LYS 89 5.241 12.491 3.242 527 H LYS 90 H LYS 90 1.222 9.461 2.385 528 HA LYS 90 HA LYS 90 -0.480 10.949 0.700 529 HB2 LYS 90 HB2 LYS 90 -1.011 10.056 3.031 530 HB3 LYS 90 HB3 LYS 90 -0.038 11.367 3.695 531 HG2 LYS 90 HG2 LYS 90 -1.592 12.999 2.613 532 HG3 LYS 90 HG3 LYS 90 -2.581 11.660 2.044 533 HD2 LYS 90 HD2 LYS 90 -3.103 11.003 4.335 534 HD3 LYS 90 HD3 LYS 90 -1.983 12.205 4.982 535 HE2 LYS 90 HE2 LYS 90 -4.319 12.948 5.194 536 HE3 LYS 90 HE3 LYS 90 -3.416 14.011 4.114 537 HZ1 LYS 90 HZ1 LYS 90 -4.417 12.903 2.227 538 HZ2 LYS 90 HZ2 LYS 90 -5.615 13.477 3.263 539 HZ3 LYS 90 HZ3 LYS 90 -5.236 11.832 3.249 540 H LYS 91 H LYS 91 -0.183 12.898 -0.167 541 HA LYS 91 HA LYS 91 2.232 14.356 0.006 542 HB2 LYS 91 HB2 LYS 91 -0.442 15.159 -1.213 543 HB3 LYS 91 HB3 LYS 91 1.095 15.973 -1.504 544 HG2 LYS 91 HG2 LYS 91 1.972 13.847 -2.498 545 HG3 LYS 91 HG3 LYS 91 0.376 13.133 -2.290 546 HD2 LYS 91 HD2 LYS 91 0.517 13.806 -4.575 547 HD3 LYS 91 HD3 LYS 91 -0.543 14.977 -3.789 548 HE2 LYS 91 HE2 LYS 91 2.409 15.445 -4.355 549 HE3 LYS 91 HE3 LYS 91 1.109 15.971 -5.417 550 HZ1 LYS 91 HZ1 LYS 91 1.822 17.782 -4.053 551 HZ2 LYS 91 HZ2 LYS 91 1.595 16.895 -2.636 552 HZ3 LYS 91 HZ3 LYS 91 0.265 17.342 -3.571 553 H LEU 92 H LEU 92 -0.758 14.519 1.676 554 HA LEU 92 HA LEU 92 -0.045 16.972 3.148 555 HB2 LEU 92 HB2 LEU 92 -2.569 15.273 3.321 556 HB3 LEU 92 HB3 LEU 92 -2.312 16.827 4.103 557 HG LEU 92 HG LEU 92 -2.587 16.328 1.111 558 HD11 LEU 92 HD11 LEU 92 -4.713 16.206 2.306 559 HD12 LEU 92 HD12 LEU 92 -4.651 17.648 1.298 560 HD13 LEU 92 HD13 LEU 92 -4.422 17.785 3.044 561 HD21 LEU 92 HD21 LEU 92 -2.472 18.788 0.833 562 HD22 LEU 92 HD22 LEU 92 -0.964 18.119 1.443 563 HD23 LEU 92 HD23 LEU 92 -2.059 18.960 2.543 564 H GLU 93 H GLU 93 -0.751 16.701 5.607 565 HA GLU 93 HA GLU 93 0.982 14.596 6.707 566 HB2 GLU 93 HB2 GLU 93 -0.239 17.037 8.071 567 HB3 GLU 93 HB3 GLU 93 0.964 15.951 8.773 568 HG2 GLU 93 HG2 GLU 93 2.599 16.647 7.061 569 HG3 GLU 93 HG3 GLU 93 1.391 17.707 6.334 570 H HIS 94 H HIS 94 0.298 13.645 8.848 571 HA HIS 94 HA HIS 94 -2.552 12.876 8.879 572 HB2 HIS 94 HB2 HIS 94 -0.070 11.557 10.041 573 HB3 HIS 94 HB3 HIS 94 -1.690 11.095 10.558 574 HD1 HIS 94 HD1 HIS 94 -1.442 8.727 9.585 575 HD2 HIS 94 HD2 HIS 94 -1.092 11.730 6.735 576 HE1 HIS 94 HE1 HIS 94 -1.580 7.571 7.366 577 HE2 HIS 94 HE2 HIS 94 -1.164 9.381 5.681 578 H HIS 95 H HIS 95 -3.423 14.666 9.835 579 HA HIS 95 HA HIS 95 -2.784 15.110 12.699 580 HB2 HIS 95 HB2 HIS 95 -2.669 17.092 11.079 581 HB3 HIS 95 HB3 HIS 95 -4.408 16.938 10.874 582 HD1 HIS 95 HD1 HIS 95 -4.755 19.318 11.858 583 HD2 HIS 95 HD2 HIS 95 -2.948 16.663 14.504 584 HE1 HIS 95 HE1 HIS 95 -4.786 20.456 14.096 585 HE2 HIS 95 HE2 HIS 95 -3.680 18.846 15.670 586 H HIS 96 H HIS 96 -4.706 13.305 10.805 587 HA HIS 96 HA HIS 96 -6.690 12.907 12.962 588 HB2 HIS 96 HB2 HIS 96 -7.201 12.778 9.947 589 HB3 HIS 96 HB3 HIS 96 -8.312 12.136 11.152 590 HD1 HIS 96 HD1 HIS 96 -8.486 14.696 9.028 591 HD2 HIS 96 HD2 HIS 96 -8.449 14.715 13.181 592 HE1 HIS 96 HE1 HIS 96 -9.624 16.828 9.700 593 HE2 HIS 96 HE2 HIS 96 -9.545 16.843 12.215 594 H HIS 97 H HIS 97 -7.364 10.647 13.166 595 HA HIS 97 HA HIS 97 -5.249 8.734 12.353 596 HB2 HIS 97 HB2 HIS 97 -7.344 8.504 14.558 597 HB3 HIS 97 HB3 HIS 97 -6.097 7.311 14.216 598 HD1 HIS 97 HD1 HIS 97 -6.664 9.340 16.823 599 HD2 HIS 97 HD2 HIS 97 -3.474 9.251 14.161 600 HE1 HIS 97 HE1 HIS 97 -4.746 10.424 18.026 601 HE2 HIS 97 HE2 HIS 97 -2.929 10.578 16.304 602 H HIS 98 H HIS 98 -8.253 9.642 11.302 603 HA HIS 98 HA HIS 98 -10.038 8.768 10.228 604 HB2 HIS 98 HB2 HIS 98 -8.132 6.468 9.605 605 HB3 HIS 98 HB3 HIS 98 -9.714 6.664 8.857 606 HD1 HIS 98 HD1 HIS 98 -6.692 6.804 7.560 607 HD2 HIS 98 HD2 HIS 98 -9.409 9.899 8.117 608 HE1 HIS 98 HE1 HIS 98 -6.072 8.562 5.881 609 HE2 HIS 98 HE2 HIS 98 -7.764 10.394 6.193 610 H HIS 99 H HIS 99 -9.601 8.251 13.053 611 HA HIS 99 HA HIS 99 -11.649 6.400 13.700 612 HB2 HIS 99 HB2 HIS 99 -10.025 4.661 13.235 613 HB3 HIS 99 HB3 HIS 99 -8.766 5.504 14.132 614 HD1 HIS 99 HD1 HIS 99 -8.298 4.343 16.273 615 HD2 HIS 99 HD2 HIS 99 -12.313 4.033 15.244 616 HE1 HIS 99 HE1 HIS 99 -9.366 3.011 18.112 617 HE2 HIS 99 HE2 HIS 99 -11.760 2.733 17.402 Start of MODEL 13 1 H1 ALA 22 H1 ALA 22 -0.952 4.301 7.381 2 H2 ALA 22 H2 ALA 22 0.710 4.067 7.619 3 H3 ALA 22 H3 ALA 22 -0.406 3.065 8.405 4 HA ALA 22 HA ALA 22 0.078 3.220 5.489 5 HB1 ALA 22 HB1 ALA 22 1.879 2.073 6.704 6 HB2 ALA 22 HB2 ALA 22 0.963 0.927 5.725 7 HB3 ALA 22 HB3 ALA 22 0.705 1.003 7.471 8 H GLU 23 H GLU 23 -2.064 3.450 4.886 9 HA GLU 23 HA GLU 23 -4.157 1.735 6.017 10 HB2 GLU 23 HB2 GLU 23 -4.798 3.736 3.841 11 HB3 GLU 23 HB3 GLU 23 -5.733 3.283 5.260 12 HG2 GLU 23 HG2 GLU 23 -3.370 5.147 5.129 13 HG3 GLU 23 HG3 GLU 23 -5.048 5.586 5.410 14 H ILE 24 H ILE 24 -4.532 -0.147 5.024 15 HA ILE 24 HA ILE 24 -3.644 -0.803 2.378 16 HB ILE 24 HB ILE 24 -5.666 -2.298 4.117 17 HG12 ILE 24 HG12 ILE 24 -3.456 -2.107 5.228 18 HG13 ILE 24 HG13 ILE 24 -3.802 -3.768 4.768 19 HG21 ILE 24 HG21 ILE 24 -5.853 -2.915 1.740 20 HG22 ILE 24 HG22 ILE 24 -5.178 -4.244 2.674 21 HG23 ILE 24 HG23 ILE 24 -4.120 -3.252 1.670 22 HD11 ILE 24 HD11 ILE 24 -1.930 -1.857 3.377 23 HD12 ILE 24 HD12 ILE 24 -2.319 -3.478 2.789 24 HD13 ILE 24 HD13 ILE 24 -1.496 -3.272 4.335 25 H MET 25 H MET 25 -4.595 0.030 0.626 26 HA MET 25 HA MET 25 -7.539 0.003 0.416 27 HB2 MET 25 HB2 MET 25 -5.823 2.281 -0.714 28 HB3 MET 25 HB3 MET 25 -7.577 2.137 -0.786 29 HG2 MET 25 HG2 MET 25 -7.468 2.183 1.812 30 HG3 MET 25 HG3 MET 25 -5.839 2.811 1.579 31 HE1 MET 25 HE1 MET 25 -5.431 5.064 -0.017 32 HE2 MET 25 HE2 MET 25 -6.752 6.128 -0.501 33 HE3 MET 25 HE3 MET 25 -6.581 4.540 -1.250 34 H LYS 26 H LYS 26 -8.217 -0.976 -1.389 35 HA LYS 26 HA LYS 26 -6.403 -2.231 -3.217 36 HB2 LYS 26 HB2 LYS 26 -9.043 -2.689 -2.397 37 HB3 LYS 26 HB3 LYS 26 -9.283 -2.085 -4.025 38 HG2 LYS 26 HG2 LYS 26 -7.485 -4.430 -3.318 39 HG3 LYS 26 HG3 LYS 26 -9.170 -4.584 -3.821 40 HD2 LYS 26 HD2 LYS 26 -8.648 -3.628 -6.005 41 HD3 LYS 26 HD3 LYS 26 -6.981 -3.310 -5.508 42 HE2 LYS 26 HE2 LYS 26 -6.546 -5.713 -5.326 43 HE3 LYS 26 HE3 LYS 26 -8.231 -6.074 -5.709 44 HZ1 LYS 26 HZ1 LYS 26 -6.779 -6.328 -7.628 45 HZ2 LYS 26 HZ2 LYS 26 -6.329 -4.701 -7.533 46 HZ3 LYS 26 HZ3 LYS 26 -7.931 -5.116 -7.884 47 H LYS 27 H LYS 27 -6.261 -1.771 -5.540 48 HA LYS 27 HA LYS 27 -5.616 0.856 -6.118 49 HB2 LYS 27 HB2 LYS 27 -5.206 -1.523 -7.405 50 HB3 LYS 27 HB3 LYS 27 -6.406 -0.839 -8.482 51 HG2 LYS 27 HG2 LYS 27 -3.721 0.400 -7.773 52 HG3 LYS 27 HG3 LYS 27 -4.109 -0.424 -9.278 53 HD2 LYS 27 HD2 LYS 27 -5.394 2.164 -8.321 54 HD3 LYS 27 HD3 LYS 27 -4.062 2.064 -9.471 55 HE2 LYS 27 HE2 LYS 27 -5.511 0.824 -11.045 56 HE3 LYS 27 HE3 LYS 27 -6.844 0.915 -9.889 57 HZ1 LYS 27 HZ1 LYS 27 -5.532 3.183 -11.287 58 HZ2 LYS 27 HZ2 LYS 27 -6.677 3.373 -10.061 59 HZ3 LYS 27 HZ3 LYS 27 -7.113 2.623 -11.510 60 H THR 28 H THR 28 -8.694 -0.785 -6.734 61 HA THR 28 HA THR 28 -10.072 1.146 -8.227 62 HB THR 28 HB THR 28 -12.151 0.071 -7.012 63 HG1 THR 28 HG1 THR 28 -10.632 -2.126 -6.374 64 HG21 THR 28 HG21 THR 28 -11.484 -0.556 -9.303 65 HG22 THR 28 HG22 THR 28 -12.009 -1.969 -8.390 66 HG23 THR 28 HG23 THR 28 -10.288 -1.685 -8.657 67 H ASP 29 H ASP 29 -10.168 0.659 -4.652 68 HA ASP 29 HA ASP 29 -11.756 2.930 -4.028 69 HB2 ASP 29 HB2 ASP 29 -11.442 1.023 -2.452 70 HB3 ASP 29 HB3 ASP 29 -9.748 1.477 -2.246 71 H PHE 30 H PHE 30 -8.310 2.404 -4.119 72 HA PHE 30 HA PHE 30 -7.372 4.826 -3.073 73 HB2 PHE 30 HB2 PHE 30 -5.891 2.921 -3.141 74 HB3 PHE 30 HB3 PHE 30 -6.091 2.736 -4.883 75 HD1 PHE 30 HD1 PHE 30 -4.784 5.112 -2.305 76 HD2 PHE 30 HD2 PHE 30 -4.551 3.770 -6.356 77 HE1 PHE 30 HE1 PHE 30 -2.867 6.582 -2.686 78 HE2 PHE 30 HE2 PHE 30 -2.622 5.246 -6.721 79 HZ PHE 30 HZ PHE 30 -1.789 6.656 -4.888 80 H ASP 31 H ASP 31 -8.190 3.818 -6.377 81 HA ASP 31 HA ASP 31 -6.933 5.767 -7.904 82 HB2 ASP 31 HB2 ASP 31 -8.102 3.774 -8.835 83 HB3 ASP 31 HB3 ASP 31 -9.656 4.490 -8.425 84 H LYS 32 H LYS 32 -10.098 5.878 -6.338 85 HA LYS 32 HA LYS 32 -11.106 8.291 -7.315 86 HB2 LYS 32 HB2 LYS 32 -11.595 6.898 -4.655 87 HB3 LYS 32 HB3 LYS 32 -12.567 8.247 -5.243 88 HG2 LYS 32 HG2 LYS 32 -13.207 6.894 -7.225 89 HG3 LYS 32 HG3 LYS 32 -12.271 5.540 -6.593 90 HD2 LYS 32 HD2 LYS 32 -14.555 6.773 -5.010 91 HD3 LYS 32 HD3 LYS 32 -14.843 5.541 -6.235 92 HE2 LYS 32 HE2 LYS 32 -14.770 4.446 -4.101 93 HE3 LYS 32 HE3 LYS 32 -13.294 4.011 -4.961 94 HZ1 LYS 32 HZ1 LYS 32 -13.490 6.117 -2.871 95 HZ2 LYS 32 HZ2 LYS 32 -12.075 5.588 -3.630 96 HZ3 LYS 32 HZ3 LYS 32 -12.928 4.541 -2.615 97 H VAL 33 H VAL 33 -8.639 7.783 -4.895 98 HA VAL 33 HA VAL 33 -8.439 10.704 -4.388 99 HB VAL 33 HB VAL 33 -7.574 10.090 -2.052 100 HG11 VAL 33 HG11 VAL 33 -10.500 9.467 -2.628 101 HG12 VAL 33 HG12 VAL 33 -9.810 11.069 -2.349 102 HG13 VAL 33 HG13 VAL 33 -9.827 9.880 -1.046 103 HG21 VAL 33 HG21 VAL 33 -8.235 7.900 -1.098 104 HG22 VAL 33 HG22 VAL 33 -7.129 7.692 -2.459 105 HG23 VAL 33 HG23 VAL 33 -8.856 7.395 -2.676 106 H ALA 34 H ALA 34 -7.038 8.785 -6.299 107 HA ALA 34 HA ALA 34 -4.463 8.093 -5.374 108 HB1 ALA 34 HB1 ALA 34 -3.878 7.788 -7.733 109 HB2 ALA 34 HB2 ALA 34 -5.312 8.694 -8.225 110 HB3 ALA 34 HB3 ALA 34 -5.487 7.142 -7.401 111 H SER 35 H SER 35 -5.651 11.091 -6.794 112 HA SER 35 HA SER 35 -3.102 12.343 -7.199 113 HB2 SER 35 HB2 SER 35 -4.510 14.406 -7.612 114 HB3 SER 35 HB3 SER 35 -4.971 13.010 -8.588 115 HG SER 35 HG SER 35 -6.231 13.863 -6.192 116 H GLU 36 H GLU 36 -4.879 11.776 -4.356 117 HA GLU 36 HA GLU 36 -3.729 13.992 -2.818 118 HB2 GLU 36 HB2 GLU 36 -5.536 11.643 -2.118 119 HB3 GLU 36 HB3 GLU 36 -4.751 12.571 -0.844 120 HG2 GLU 36 HG2 GLU 36 -6.664 13.677 -2.921 121 HG3 GLU 36 HG3 GLU 36 -7.037 13.343 -1.228 122 H TYR 37 H TYR 37 -2.511 11.124 -4.049 123 HA TYR 37 HA TYR 37 -0.575 10.822 -1.822 124 HB2 TYR 37 HB2 TYR 37 -1.942 8.529 -3.321 125 HB3 TYR 37 HB3 TYR 37 -0.659 8.345 -2.122 126 HD1 TYR 37 HD1 TYR 37 -1.086 9.247 0.251 127 HD2 TYR 37 HD2 TYR 37 -4.229 8.671 -2.579 128 HE1 TYR 37 HE1 TYR 37 -2.741 9.424 2.052 129 HE2 TYR 37 HE2 TYR 37 -5.883 8.819 -0.767 130 HH TYR 37 HH TYR 37 -6.023 8.569 1.627 131 H THR 38 H THR 38 1.465 9.901 -2.406 132 HA THR 38 HA THR 38 2.288 10.340 -5.218 133 HB THR 38 HB THR 38 2.823 12.352 -3.820 134 HG1 THR 38 HG1 THR 38 4.864 12.566 -4.633 135 HG21 THR 38 HG21 THR 38 4.687 10.546 -2.245 136 HG22 THR 38 HG22 THR 38 3.206 11.284 -1.631 137 HG23 THR 38 HG23 THR 38 4.566 12.306 -2.102 138 H LYS 39 H LYS 39 3.485 8.666 -6.008 139 HA LYS 39 HA LYS 39 3.826 6.311 -4.396 140 HB2 LYS 39 HB2 LYS 39 3.189 6.215 -6.803 141 HB3 LYS 39 HB3 LYS 39 4.777 6.836 -7.242 142 HG2 LYS 39 HG2 LYS 39 5.842 4.832 -6.282 143 HG3 LYS 39 HG3 LYS 39 4.256 4.212 -5.804 144 HD2 LYS 39 HD2 LYS 39 3.577 4.068 -8.165 145 HD3 LYS 39 HD3 LYS 39 5.124 4.760 -8.673 146 HE2 LYS 39 HE2 LYS 39 6.303 2.806 -7.736 147 HE3 LYS 39 HE3 LYS 39 4.764 2.123 -7.208 148 HZ1 LYS 39 HZ1 LYS 39 5.474 1.122 -9.256 149 HZ2 LYS 39 HZ2 LYS 39 5.583 2.628 -10.015 150 HZ3 LYS 39 HZ3 LYS 39 4.078 2.034 -9.533 151 H ILE 40 H ILE 40 5.500 5.888 -3.126 152 HA ILE 40 HA ILE 40 8.103 7.240 -3.596 153 HB ILE 40 HB ILE 40 8.653 6.805 -1.262 154 HG12 ILE 40 HG12 ILE 40 5.890 5.542 -0.873 155 HG13 ILE 40 HG13 ILE 40 7.365 4.601 -1.051 156 HG21 ILE 40 HG21 ILE 40 5.883 8.032 -1.540 157 HG22 ILE 40 HG22 ILE 40 7.424 8.860 -1.787 158 HG23 ILE 40 HG23 ILE 40 6.987 8.279 -0.181 159 HD11 ILE 40 HD11 ILE 40 6.700 4.803 1.270 160 HD12 ILE 40 HD12 ILE 40 6.794 6.561 1.169 161 HD13 ILE 40 HD13 ILE 40 8.255 5.585 0.996 162 H GLY 41 H GLY 41 6.562 4.235 -3.930 163 HA2 GLY 41 HA2 GLY 41 8.663 2.866 -5.079 164 HA3 GLY 41 HA3 GLY 41 8.732 2.465 -3.366 165 H THR 42 H THR 42 8.428 0.349 -4.644 166 HA THR 42 HA THR 42 5.612 -0.443 -4.234 167 HB THR 42 HB THR 42 7.438 -1.525 -6.445 168 HG1 THR 42 HG1 THR 42 5.034 -0.091 -6.873 169 HG21 THR 42 HG21 THR 42 4.510 -2.127 -5.868 170 HG22 THR 42 HG22 THR 42 5.860 -3.237 -5.617 171 HG23 THR 42 HG23 THR 42 5.435 -2.721 -7.250 172 H ILE 43 H ILE 43 5.424 -2.138 -2.864 173 HA ILE 43 HA ILE 43 7.810 -3.760 -2.145 174 HB ILE 43 HB ILE 43 6.614 -4.307 -0.011 175 HG12 ILE 43 HG12 ILE 43 4.582 -2.204 -0.909 176 HG13 ILE 43 HG13 ILE 43 4.271 -3.928 -0.751 177 HG21 ILE 43 HG21 ILE 43 8.299 -2.511 -0.045 178 HG22 ILE 43 HG22 ILE 43 7.034 -2.166 1.134 179 HG23 ILE 43 HG23 ILE 43 7.046 -1.323 -0.418 180 HD11 ILE 43 HD11 ILE 43 4.619 -3.748 1.675 181 HD12 ILE 43 HD12 ILE 43 3.323 -2.704 1.093 182 HD13 ILE 43 HD13 ILE 43 4.893 -2.013 1.492 183 H SER 44 H SER 44 7.367 -6.051 -1.677 184 HA SER 44 HA SER 44 4.924 -7.253 -2.688 185 HB2 SER 44 HB2 SER 44 6.334 -6.892 -4.743 186 HB3 SER 44 HB3 SER 44 7.593 -7.903 -4.033 187 HG SER 44 HG SER 44 6.191 -9.651 -4.118 188 H THR 45 H THR 45 4.537 -9.218 -1.794 189 HA THR 45 HA THR 45 6.170 -10.057 0.461 190 HB THR 45 HB THR 45 4.333 -11.578 1.003 191 HG1 THR 45 HG1 THR 45 3.535 -11.037 -1.643 192 HG21 THR 45 HG21 THR 45 3.974 -9.189 1.598 193 HG22 THR 45 HG22 THR 45 2.453 -9.998 1.224 194 HG23 THR 45 HG23 THR 45 3.188 -8.922 0.035 195 H THR 46 H THR 46 6.528 -12.479 0.768 196 HA THR 46 HA THR 46 8.264 -13.496 -1.196 197 HB THR 46 HB THR 46 6.945 -15.009 1.101 198 HG1 THR 46 HG1 THR 46 8.324 -14.042 2.398 199 HG21 THR 46 HG21 THR 46 8.983 -16.417 1.071 200 HG22 THR 46 HG22 THR 46 9.570 -15.552 -0.351 201 HG23 THR 46 HG23 THR 46 8.105 -16.534 -0.455 202 H GLY 47 H GLY 47 5.087 -14.794 -0.117 203 HA2 GLY 47 HA2 GLY 47 3.761 -15.243 -2.421 204 HA3 GLY 47 HA3 GLY 47 4.892 -16.592 -2.405 205 H GLU 48 H GLU 48 1.851 -16.204 -2.014 206 HA GLU 48 HA GLU 48 0.130 -17.266 -1.054 207 HB2 GLU 48 HB2 GLU 48 1.406 -19.318 -1.554 208 HB3 GLU 48 HB3 GLU 48 2.219 -19.198 0.004 209 HG2 GLU 48 HG2 GLU 48 -0.105 -19.369 1.072 210 HG3 GLU 48 HG3 GLU 48 -0.703 -19.811 -0.524 211 H MET 49 H MET 49 -0.601 -15.737 0.384 212 HA MET 49 HA MET 49 -0.496 -16.648 3.153 213 HB2 MET 49 HB2 MET 49 0.142 -13.754 2.390 214 HB3 MET 49 HB3 MET 49 -0.511 -14.168 3.968 215 HG2 MET 49 HG2 MET 49 1.470 -15.670 4.323 216 HG3 MET 49 HG3 MET 49 2.144 -15.052 2.818 217 HE1 MET 49 HE1 MET 49 2.780 -11.274 3.726 218 HE2 MET 49 HE2 MET 49 1.390 -11.965 2.892 219 HE3 MET 49 HE3 MET 49 3.018 -12.530 2.510 220 H SER 50 H SER 50 -2.414 -16.256 4.266 221 HA SER 50 HA SER 50 -4.838 -15.773 2.904 222 HB2 SER 50 HB2 SER 50 -5.734 -15.516 5.311 223 HB3 SER 50 HB3 SER 50 -4.904 -17.027 4.960 224 HG SER 50 HG SER 50 -4.351 -15.376 6.891 225 HA PRO 51 HA PRO 51 -4.262 -11.519 1.890 226 HB2 PRO 51 HB2 PRO 51 -7.257 -11.212 2.211 227 HB3 PRO 51 HB3 PRO 51 -6.216 -10.776 0.835 228 HG2 PRO 51 HG2 PRO 51 -7.691 -12.946 0.694 229 HG3 PRO 51 HG3 PRO 51 -6.008 -12.989 0.110 230 HD2 PRO 51 HD2 PRO 51 -7.130 -14.049 2.702 231 HD3 PRO 51 HD3 PRO 51 -5.933 -14.778 1.610 232 H LEU 52 H LEU 52 -6.239 -12.068 4.792 233 HA LEU 52 HA LEU 52 -6.226 -9.419 5.818 234 HB2 LEU 52 HB2 LEU 52 -7.625 -11.492 6.557 235 HB3 LEU 52 HB3 LEU 52 -6.244 -11.939 7.527 236 HG LEU 52 HG LEU 52 -8.070 -10.842 8.830 237 HD11 LEU 52 HD11 LEU 52 -6.742 -9.309 10.163 238 HD12 LEU 52 HD12 LEU 52 -5.535 -9.188 8.879 239 HD13 LEU 52 HD13 LEU 52 -5.784 -10.722 9.715 240 HD21 LEU 52 HD21 LEU 52 -8.912 -9.313 7.118 241 HD22 LEU 52 HD22 LEU 52 -7.435 -8.350 7.221 242 HD23 LEU 52 HD23 LEU 52 -8.529 -8.445 8.604 243 H ASP 53 H ASP 53 -4.096 -12.209 6.385 244 HA ASP 53 HA ASP 53 -2.260 -10.845 8.135 245 HB2 ASP 53 HB2 ASP 53 -2.065 -13.533 6.704 246 HB3 ASP 53 HB3 ASP 53 -0.901 -12.957 7.900 247 H ALA 54 H ALA 54 -2.440 -11.453 4.691 248 HA ALA 54 HA ALA 54 0.180 -10.712 3.913 249 HB1 ALA 54 HB1 ALA 54 -0.781 -10.340 1.671 250 HB2 ALA 54 HB2 ALA 54 -2.412 -10.399 2.348 251 HB3 ALA 54 HB3 ALA 54 -1.395 -11.841 2.374 252 H ARG 55 H ARG 55 -2.797 -8.852 4.385 253 HA ARG 55 HA ARG 55 -1.889 -6.284 3.670 254 HB2 ARG 55 HB2 ARG 55 -4.056 -7.178 5.606 255 HB3 ARG 55 HB3 ARG 55 -3.788 -5.485 5.186 256 HG2 ARG 55 HG2 ARG 55 -4.356 -5.889 2.878 257 HG3 ARG 55 HG3 ARG 55 -4.423 -7.632 3.143 258 HD2 ARG 55 HD2 ARG 55 -6.364 -7.345 4.639 259 HD3 ARG 55 HD3 ARG 55 -6.281 -5.594 4.417 260 HE ARG 55 HE ARG 55 -6.961 -5.869 2.142 261 HH11 ARG 55 HH11 ARG 55 -7.276 -8.797 4.058 262 HH12 ARG 55 HH12 ARG 55 -8.410 -9.531 2.975 263 HH21 ARG 55 HH21 ARG 55 -8.465 -6.855 0.724 264 HH22 ARG 55 HH22 ARG 55 -9.085 -8.435 1.083 265 H GLU 56 H GLU 56 -1.828 -8.001 6.781 266 HA GLU 56 HA GLU 56 -0.873 -5.939 8.456 267 HB2 GLU 56 HB2 GLU 56 -0.489 -8.965 8.680 268 HB3 GLU 56 HB3 GLU 56 -0.132 -7.817 9.970 269 HG2 GLU 56 HG2 GLU 56 -2.862 -8.321 8.754 270 HG3 GLU 56 HG3 GLU 56 -2.292 -8.924 10.311 271 H ASP 57 H ASP 57 0.828 -8.395 6.567 272 HA ASP 57 HA ASP 57 3.491 -7.757 7.297 273 HB2 ASP 57 HB2 ASP 57 2.814 -9.903 6.211 274 HB3 ASP 57 HB3 ASP 57 2.443 -9.032 4.727 275 H LEU 58 H LEU 58 1.410 -6.678 4.635 276 HA LEU 58 HA LEU 58 3.296 -4.995 3.322 277 HB2 LEU 58 HB2 LEU 58 0.260 -5.088 3.241 278 HB3 LEU 58 HB3 LEU 58 1.217 -4.053 2.193 279 HG LEU 58 HG LEU 58 1.381 -7.097 2.227 280 HD11 LEU 58 HD11 LEU 58 0.204 -7.051 0.070 281 HD12 LEU 58 HD12 LEU 58 -0.016 -5.305 0.218 282 HD13 LEU 58 HD13 LEU 58 -0.788 -6.396 1.372 283 HD21 LEU 58 HD21 LEU 58 3.500 -6.056 1.511 284 HD22 LEU 58 HD22 LEU 58 2.642 -5.136 0.271 285 HD23 LEU 58 HD23 LEU 58 2.714 -6.899 0.178 286 H ILE 59 H ILE 59 0.991 -4.380 5.958 287 HA ILE 59 HA ILE 59 1.265 -1.526 6.070 288 HB ILE 59 HB ILE 59 0.436 -3.504 8.256 289 HG12 ILE 59 HG12 ILE 59 -1.288 -1.573 6.649 290 HG13 ILE 59 HG13 ILE 59 -1.129 -3.286 6.300 291 HG21 ILE 59 HG21 ILE 59 0.282 -0.464 8.382 292 HG22 ILE 59 HG22 ILE 59 1.346 -1.489 9.348 293 HG23 ILE 59 HG23 ILE 59 -0.399 -1.575 9.573 294 HD11 ILE 59 HD11 ILE 59 -2.310 -2.100 8.807 295 HD12 ILE 59 HD12 ILE 59 -2.146 -3.824 8.458 296 HD13 ILE 59 HD13 ILE 59 -3.194 -2.816 7.459 297 H LYS 60 H LYS 60 2.870 -4.263 7.644 298 HA LYS 60 HA LYS 60 4.636 -2.883 9.339 299 HB2 LYS 60 HB2 LYS 60 4.184 -5.291 9.548 300 HB3 LYS 60 HB3 LYS 60 4.949 -5.598 7.992 301 HG2 LYS 60 HG2 LYS 60 7.133 -4.945 8.890 302 HG3 LYS 60 HG3 LYS 60 6.390 -4.497 10.429 303 HD2 LYS 60 HD2 LYS 60 5.728 -6.873 10.782 304 HD3 LYS 60 HD3 LYS 60 6.517 -7.307 9.260 305 HE2 LYS 60 HE2 LYS 60 8.688 -6.568 10.160 306 HE3 LYS 60 HE3 LYS 60 7.914 -6.081 11.671 307 HZ1 LYS 60 HZ1 LYS 60 7.301 -8.379 12.058 308 HZ2 LYS 60 HZ2 LYS 60 8.975 -8.243 11.855 309 HZ3 LYS 60 HZ3 LYS 60 8.019 -8.851 10.601 310 H LYS 61 H LYS 61 5.115 -4.047 5.992 311 HA LYS 61 HA LYS 61 7.758 -3.116 5.598 312 HB2 LYS 61 HB2 LYS 61 5.546 -3.503 3.537 313 HB3 LYS 61 HB3 LYS 61 7.251 -3.282 3.147 314 HG2 LYS 61 HG2 LYS 61 7.754 -5.426 4.339 315 HG3 LYS 61 HG3 LYS 61 6.021 -5.639 4.616 316 HD2 LYS 61 HD2 LYS 61 5.700 -5.541 2.092 317 HD3 LYS 61 HD3 LYS 61 7.458 -5.574 1.930 318 HE2 LYS 61 HE2 LYS 61 5.684 -7.730 3.115 319 HE3 LYS 61 HE3 LYS 61 6.590 -7.813 1.605 320 HZ1 LYS 61 HZ1 LYS 61 8.645 -7.635 2.944 321 HZ2 LYS 61 HZ2 LYS 61 7.741 -9.026 3.276 322 HZ3 LYS 61 HZ3 LYS 61 7.709 -7.724 4.354 323 H ALA 62 H ALA 62 4.610 -1.624 4.879 324 HA ALA 62 HA ALA 62 5.613 0.808 3.787 325 HB1 ALA 62 HB1 ALA 62 3.319 1.633 4.013 326 HB2 ALA 62 HB2 ALA 62 2.911 0.231 5.014 327 HB3 ALA 62 HB3 ALA 62 3.359 0.005 3.324 328 H ASP 63 H ASP 63 5.078 -0.253 7.094 329 HA ASP 63 HA ASP 63 5.281 2.333 8.328 330 HB2 ASP 63 HB2 ASP 63 4.306 0.414 9.557 331 HB3 ASP 63 HB3 ASP 63 5.840 -0.446 9.462 332 H GLU 64 H GLU 64 7.580 -0.320 7.674 333 HA GLU 64 HA GLU 64 9.989 0.789 8.570 334 HB2 GLU 64 HB2 GLU 64 9.596 -0.950 6.089 335 HB3 GLU 64 HB3 GLU 64 11.118 -0.705 6.935 336 HG2 GLU 64 HG2 GLU 64 8.682 -2.084 8.096 337 HG3 GLU 64 HG3 GLU 64 10.064 -2.903 7.385 338 H LYS 65 H LYS 65 8.269 1.268 5.492 339 HA LYS 65 HA LYS 65 10.238 3.186 4.461 340 HB2 LYS 65 HB2 LYS 65 7.756 1.886 3.303 341 HB3 LYS 65 HB3 LYS 65 8.431 3.312 2.531 342 HG2 LYS 65 HG2 LYS 65 9.252 1.363 1.381 343 HG3 LYS 65 HG3 LYS 65 10.596 2.114 2.238 344 HD2 LYS 65 HD2 LYS 65 10.419 0.389 4.008 345 HD3 LYS 65 HD3 LYS 65 9.061 -0.351 3.153 346 HE2 LYS 65 HE2 LYS 65 10.500 -0.934 1.272 347 HE3 LYS 65 HE3 LYS 65 11.852 -0.046 1.982 348 HZ1 LYS 65 HZ1 LYS 65 12.087 -2.407 2.348 349 HZ2 LYS 65 HZ2 LYS 65 10.581 -2.480 3.113 350 HZ3 LYS 65 HZ3 LYS 65 11.849 -1.623 3.827 351 H GLY 66 H GLY 66 7.543 3.452 6.539 352 HA2 GLY 66 HA2 GLY 66 6.383 5.264 7.365 353 HA3 GLY 66 HA3 GLY 66 7.507 6.308 6.514 354 H ALA 67 H ALA 67 5.822 4.078 4.496 355 HA ALA 67 HA ALA 67 4.475 6.080 2.985 356 HB1 ALA 67 HB1 ALA 67 4.123 3.066 2.932 357 HB2 ALA 67 HB2 ALA 67 5.298 3.986 1.993 358 HB3 ALA 67 HB3 ALA 67 3.572 4.197 1.688 359 H ASP 68 H ASP 68 2.358 6.734 2.979 360 HA ASP 68 HA ASP 68 0.877 6.345 5.450 361 HB2 ASP 68 HB2 ASP 68 0.385 8.135 3.027 362 HB3 ASP 68 HB3 ASP 68 -0.675 8.100 4.436 363 H VAL 69 H VAL 69 0.636 5.312 2.103 364 HA VAL 69 HA VAL 69 -1.736 3.664 2.759 365 HB VAL 69 HB VAL 69 -1.462 5.468 0.300 366 HG11 VAL 69 HG11 VAL 69 -3.503 4.439 -0.650 367 HG12 VAL 69 HG12 VAL 69 -3.493 3.216 0.626 368 HG13 VAL 69 HG13 VAL 69 -2.179 3.278 -0.554 369 HG21 VAL 69 HG21 VAL 69 -3.701 5.226 2.350 370 HG22 VAL 69 HG22 VAL 69 -3.667 6.333 0.973 371 HG23 VAL 69 HG23 VAL 69 -2.493 6.514 2.276 372 H VAL 70 H VAL 70 -1.772 1.682 1.852 373 HA VAL 70 HA VAL 70 0.453 0.763 0.129 374 HB VAL 70 HB VAL 70 -1.251 -1.018 1.935 375 HG11 VAL 70 HG11 VAL 70 -0.085 -2.179 0.135 376 HG12 VAL 70 HG12 VAL 70 0.603 -2.625 1.695 377 HG13 VAL 70 HG13 VAL 70 1.457 -1.491 0.647 378 HG21 VAL 70 HG21 VAL 70 1.412 0.223 2.701 379 HG22 VAL 70 HG22 VAL 70 0.540 -1.002 3.630 380 HG23 VAL 70 HG23 VAL 70 -0.158 0.606 3.412 381 H VAL 71 H VAL 71 -0.264 0.384 -1.915 382 HA VAL 71 HA VAL 71 -3.161 0.257 -2.441 383 HB VAL 71 HB VAL 71 -0.882 0.859 -4.383 384 HG11 VAL 71 HG11 VAL 71 -3.889 1.166 -4.744 385 HG12 VAL 71 HG12 VAL 71 -2.857 -0.019 -5.548 386 HG13 VAL 71 HG13 VAL 71 -2.658 1.699 -5.894 387 HG21 VAL 71 HG21 VAL 71 -2.748 2.779 -2.941 388 HG22 VAL 71 HG22 VAL 71 -1.573 3.226 -4.181 389 HG23 VAL 71 HG23 VAL 71 -1.020 2.573 -2.637 390 H LEU 72 H LEU 72 -3.844 -1.807 -2.428 391 HA LEU 72 HA LEU 72 -2.348 -4.087 -3.213 392 HB2 LEU 72 HB2 LEU 72 -5.373 -3.785 -3.042 393 HB3 LEU 72 HB3 LEU 72 -4.529 -5.311 -3.240 394 HG LEU 72 HG LEU 72 -4.469 -3.508 -0.792 395 HD11 LEU 72 HD11 LEU 72 -6.536 -4.821 -1.029 396 HD12 LEU 72 HD12 LEU 72 -5.580 -5.384 0.339 397 HD13 LEU 72 HD13 LEU 72 -5.593 -6.310 -1.164 398 HD21 LEU 72 HD21 LEU 72 -2.238 -4.491 -1.087 399 HD22 LEU 72 HD22 LEU 72 -2.943 -6.105 -1.238 400 HD23 LEU 72 HD23 LEU 72 -3.060 -5.225 0.290 401 H THR 73 H THR 73 -1.473 -3.926 -5.221 402 HA THR 73 HA THR 73 -3.281 -3.941 -7.567 403 HB THR 73 HB THR 73 -1.179 -3.678 -8.899 404 HG1 THR 73 HG1 THR 73 0.479 -2.928 -6.892 405 HG21 THR 73 HG21 THR 73 -2.425 -1.650 -8.207 406 HG22 THR 73 HG22 THR 73 -0.691 -1.337 -8.246 407 HG23 THR 73 HG23 THR 73 -1.501 -1.583 -6.699 408 H SER 74 H SER 74 -2.428 -6.054 -5.396 409 HA SER 74 HA SER 74 -1.380 -8.288 -6.855 410 HB2 SER 74 HB2 SER 74 -2.915 -8.321 -4.210 411 HB3 SER 74 HB3 SER 74 -1.790 -9.544 -4.813 412 HG SER 74 HG SER 74 -0.645 -7.104 -4.673 413 H GLY 75 H GLY 75 -2.518 -9.770 -8.038 414 HA2 GLY 75 HA2 GLY 75 -5.347 -9.816 -8.394 415 HA3 GLY 75 HA3 GLY 75 -4.216 -11.091 -8.839 416 H GLN 76 H GLN 76 -6.457 -9.975 -6.482 417 HA GLN 76 HA GLN 76 -5.484 -11.466 -4.225 418 HB2 GLN 76 HB2 GLN 76 -6.693 -9.209 -4.141 419 HB3 GLN 76 HB3 GLN 76 -8.184 -10.072 -4.498 420 HG2 GLN 76 HG2 GLN 76 -7.836 -11.414 -2.408 421 HG3 GLN 76 HG3 GLN 76 -6.436 -10.410 -2.036 422 HE21 GLN 76 HE21 GLN 76 -7.807 -7.932 -3.057 423 HE22 GLN 76 HE22 GLN 76 -8.971 -7.529 -1.850 424 H THR 77 H THR 77 -5.478 -13.555 -5.236 425 HA THR 77 HA THR 77 -8.068 -14.959 -5.478 426 HB THR 77 HB THR 77 -6.454 -15.192 -7.364 427 HG1 THR 77 HG1 THR 77 -7.821 -16.934 -7.083 428 HG21 THR 77 HG21 THR 77 -4.316 -15.064 -6.120 429 HG22 THR 77 HG22 THR 77 -4.399 -16.518 -7.114 430 HG23 THR 77 HG23 THR 77 -4.654 -16.629 -5.372 431 H GLU 78 H GLU 78 -5.728 -14.331 -3.205 432 HA GLU 78 HA GLU 78 -5.304 -14.982 -1.114 433 HB2 GLU 78 HB2 GLU 78 -7.615 -15.543 -0.687 434 HB3 GLU 78 HB3 GLU 78 -7.467 -17.070 -1.547 435 HG2 GLU 78 HG2 GLU 78 -5.993 -17.956 0.201 436 HG3 GLU 78 HG3 GLU 78 -6.023 -16.407 1.041 437 H ASN 79 H ASN 79 -5.680 -17.923 -3.123 438 HA ASN 79 HA ASN 79 -3.921 -19.545 -1.647 439 HB2 ASN 79 HB2 ASN 79 -5.649 -20.514 -3.066 440 HB3 ASN 79 HB3 ASN 79 -4.963 -19.764 -4.503 441 HD21 ASN 79 HD21 ASN 79 -4.677 -21.668 -5.628 442 HD22 ASN 79 HD22 ASN 79 -3.510 -22.866 -5.189 443 H LYS 80 H LYS 80 -3.319 -18.562 -5.049 444 HA LYS 80 HA LYS 80 -0.423 -18.557 -4.448 445 HB2 LYS 80 HB2 LYS 80 -1.172 -20.267 -6.092 446 HB3 LYS 80 HB3 LYS 80 -1.822 -18.993 -7.122 447 HG2 LYS 80 HG2 LYS 80 0.404 -18.100 -7.519 448 HG3 LYS 80 HG3 LYS 80 1.103 -19.221 -6.347 449 HD2 LYS 80 HD2 LYS 80 1.532 -19.974 -8.659 450 HD3 LYS 80 HD3 LYS 80 0.523 -21.135 -7.793 451 HE2 LYS 80 HE2 LYS 80 -1.486 -20.181 -8.927 452 HE3 LYS 80 HE3 LYS 80 -0.436 -19.083 -9.825 453 HZ1 LYS 80 HZ1 LYS 80 0.635 -20.985 -10.841 454 HZ2 LYS 80 HZ2 LYS 80 -1.034 -21.049 -11.108 455 HZ3 LYS 80 HZ3 LYS 80 -0.326 -22.048 -9.945 456 H ILE 81 H ILE 81 -0.444 -16.487 -3.655 457 HA ILE 81 HA ILE 81 -0.606 -14.310 -5.673 458 HB ILE 81 HB ILE 81 -0.856 -12.725 -3.751 459 HG12 ILE 81 HG12 ILE 81 -1.197 -15.225 -2.017 460 HG13 ILE 81 HG13 ILE 81 0.208 -14.168 -1.991 461 HG21 ILE 81 HG21 ILE 81 -2.870 -13.476 -4.958 462 HG22 ILE 81 HG22 ILE 81 -3.235 -13.193 -3.257 463 HG23 ILE 81 HG23 ILE 81 -3.045 -14.844 -3.852 464 HD11 ILE 81 HD11 ILE 81 -2.593 -13.421 -1.177 465 HD12 ILE 81 HD12 ILE 81 -1.197 -12.339 -1.166 466 HD13 ILE 81 HD13 ILE 81 -1.230 -13.752 -0.108 467 H HIS 82 H HIS 82 1.206 -12.936 -5.828 468 HA HIS 82 HA HIS 82 3.529 -13.537 -4.070 469 HB2 HIS 82 HB2 HIS 82 4.951 -12.367 -5.743 470 HB3 HIS 82 HB3 HIS 82 4.167 -13.801 -6.385 471 HD1 HIS 82 HD1 HIS 82 2.389 -13.451 -8.242 472 HD2 HIS 82 HD2 HIS 82 4.264 -9.972 -6.983 473 HE1 HIS 82 HE1 HIS 82 1.906 -11.749 -10.024 474 HE2 HIS 82 HE2 HIS 82 3.259 -9.735 -9.349 475 H GLY 83 H GLY 83 0.977 -11.434 -4.422 476 HA2 GLY 83 HA2 GLY 83 0.296 -9.712 -3.109 477 HA3 GLY 83 HA3 GLY 83 1.526 -10.238 -1.977 478 H THR 84 H THR 84 1.273 -8.416 -5.047 479 HA THR 84 HA THR 84 3.472 -6.651 -4.175 480 HB THR 84 HB THR 84 2.162 -6.918 -6.920 481 HG1 THR 84 HG1 THR 84 4.279 -8.189 -5.658 482 HG21 THR 84 HG21 THR 84 4.099 -5.605 -7.730 483 HG22 THR 84 HG22 THR 84 4.618 -5.349 -6.063 484 HG23 THR 84 HG23 THR 84 3.087 -4.668 -6.628 485 H ALA 85 H ALA 85 3.041 -4.684 -3.492 486 HA ALA 85 HA ALA 85 0.535 -3.316 -4.170 487 HB1 ALA 85 HB1 ALA 85 0.208 -2.684 -1.808 488 HB2 ALA 85 HB2 ALA 85 1.594 -3.675 -1.335 489 HB3 ALA 85 HB3 ALA 85 0.152 -4.437 -2.012 490 H ASP 86 H ASP 86 0.846 -1.217 -4.610 491 HA ASP 86 HA ASP 86 3.608 -0.193 -4.614 492 HB2 ASP 86 HB2 ASP 86 1.040 0.967 -5.813 493 HB3 ASP 86 HB3 ASP 86 2.645 1.676 -5.995 494 H ILE 87 H ILE 87 4.325 1.313 -3.154 495 HA ILE 87 HA ILE 87 2.377 2.118 -1.081 496 HB ILE 87 HB ILE 87 4.427 2.657 0.322 497 HG12 ILE 87 HG12 ILE 87 5.896 1.113 -1.862 498 HG13 ILE 87 HG13 ILE 87 6.098 2.824 -1.513 499 HG21 ILE 87 HG21 ILE 87 3.084 0.639 0.669 500 HG22 ILE 87 HG22 ILE 87 4.788 0.309 0.978 501 HG23 ILE 87 HG23 ILE 87 4.044 -0.232 -0.530 502 HD11 ILE 87 HD11 ILE 87 6.831 0.532 0.296 503 HD12 ILE 87 HD12 ILE 87 7.000 2.244 0.696 504 HD13 ILE 87 HD13 ILE 87 7.930 1.550 -0.632 505 H TYR 88 H TYR 88 1.987 4.107 -0.528 506 HA TYR 88 HA TYR 88 3.079 6.363 -2.074 507 HB2 TYR 88 HB2 TYR 88 0.160 5.585 -1.622 508 HB3 TYR 88 HB3 TYR 88 0.625 7.232 -2.021 509 HD1 TYR 88 HD2 TYR 88 1.096 3.722 -3.355 510 HD2 TYR 88 HD1 TYR 88 0.614 7.865 -4.276 511 HE1 TYR 88 HE2 TYR 88 0.990 3.189 -5.748 512 HE2 TYR 88 HE1 TYR 88 0.514 7.322 -6.663 513 HH TYR 88 HH TYR 88 1.294 5.492 -8.164 514 H LYS 89 H LYS 89 2.830 8.375 -1.066 515 HA LYS 89 HA LYS 89 2.243 8.371 1.828 516 HB2 LYS 89 HB2 LYS 89 4.354 9.899 0.259 517 HB3 LYS 89 HB3 LYS 89 3.816 10.429 1.846 518 HG2 LYS 89 HG2 LYS 89 4.461 8.087 2.692 519 HG3 LYS 89 HG3 LYS 89 5.235 7.853 1.124 520 HD2 LYS 89 HD2 LYS 89 7.029 8.558 2.440 521 HD3 LYS 89 HD3 LYS 89 6.522 10.073 1.696 522 HE2 LYS 89 HE2 LYS 89 5.903 9.123 4.516 523 HE3 LYS 89 HE3 LYS 89 6.984 10.438 4.055 524 HZ1 LYS 89 HZ1 LYS 89 4.939 11.353 4.812 525 HZ2 LYS 89 HZ2 LYS 89 4.029 10.367 3.796 526 HZ3 LYS 89 HZ3 LYS 89 5.005 11.589 3.140 527 H LYS 90 H LYS 90 1.143 10.137 2.637 528 HA LYS 90 HA LYS 90 -0.840 11.278 0.913 529 HB2 LYS 90 HB2 LYS 90 -1.035 10.514 3.415 530 HB3 LYS 90 HB3 LYS 90 -0.352 12.072 3.817 531 HG2 LYS 90 HG2 LYS 90 -2.976 11.598 2.349 532 HG3 LYS 90 HG3 LYS 90 -2.815 12.006 4.056 533 HD2 LYS 90 HD2 LYS 90 -1.744 14.194 3.324 534 HD3 LYS 90 HD3 LYS 90 -2.164 13.764 1.665 535 HE2 LYS 90 HE2 LYS 90 -4.154 14.160 3.938 536 HE3 LYS 90 HE3 LYS 90 -3.817 15.322 2.654 537 HZ1 LYS 90 HZ1 LYS 90 -4.643 13.756 1.038 538 HZ2 LYS 90 HZ2 LYS 90 -5.812 14.033 2.230 539 HZ3 LYS 90 HZ3 LYS 90 -4.919 12.598 2.244 540 H LYS 91 H LYS 91 -0.533 13.043 -0.264 541 HA LYS 91 HA LYS 91 1.847 14.552 -0.295 542 HB2 LYS 91 HB2 LYS 91 -0.847 15.120 -1.613 543 HB3 LYS 91 HB3 LYS 91 0.651 15.980 -1.986 544 HG2 LYS 91 HG2 LYS 91 1.671 13.876 -2.781 545 HG3 LYS 91 HG3 LYS 91 0.192 13.003 -2.372 546 HD2 LYS 91 HD2 LYS 91 0.225 13.407 -4.758 547 HD3 LYS 91 HD3 LYS 91 -1.054 14.388 -4.039 548 HE2 LYS 91 HE2 LYS 91 0.452 16.361 -4.119 549 HE3 LYS 91 HE3 LYS 91 1.700 15.363 -4.869 550 HZ1 LYS 91 HZ1 LYS 91 -0.976 15.957 -6.010 551 HZ2 LYS 91 HZ2 LYS 91 0.193 14.965 -6.725 552 HZ3 LYS 91 HZ3 LYS 91 0.496 16.614 -6.518 553 H LEU 92 H LEU 92 2.440 16.250 0.848 554 HA LEU 92 HA LEU 92 2.547 18.002 2.228 555 HB2 LEU 92 HB2 LEU 92 -0.217 18.543 1.092 556 HB3 LEU 92 HB3 LEU 92 0.541 19.623 2.246 557 HG LEU 92 HG LEU 92 2.436 19.967 0.608 558 HD11 LEU 92 HD11 LEU 92 2.144 19.396 -1.759 559 HD12 LEU 92 HD12 LEU 92 0.681 18.487 -1.368 560 HD13 LEU 92 HD13 LEU 92 2.246 17.951 -0.753 561 HD21 LEU 92 HD21 LEU 92 1.205 21.521 -0.854 562 HD22 LEU 92 HD22 LEU 92 0.651 21.628 0.815 563 HD23 LEU 92 HD23 LEU 92 -0.320 20.766 -0.381 564 H GLU 93 H GLU 93 1.553 15.384 3.204 565 HA GLU 93 HA GLU 93 -0.308 15.806 5.322 566 HB2 GLU 93 HB2 GLU 93 0.094 13.559 4.445 567 HB3 GLU 93 HB3 GLU 93 1.772 13.617 4.952 568 HG2 GLU 93 HG2 GLU 93 0.358 12.206 6.421 569 HG3 GLU 93 HG3 GLU 93 1.141 13.527 7.287 570 H HIS 94 H HIS 94 -0.035 16.505 7.270 571 HA HIS 94 HA HIS 94 2.001 16.497 9.068 572 HB2 HIS 94 HB2 HIS 94 3.284 17.937 7.425 573 HB3 HIS 94 HB3 HIS 94 2.022 19.154 7.526 574 HD1 HIS 94 HD1 HIS 94 4.872 17.662 9.474 575 HD2 HIS 94 HD2 HIS 94 2.137 20.779 9.816 576 HE1 HIS 94 HE1 HIS 94 5.729 19.113 11.332 577 HE2 HIS 94 HE2 HIS 94 4.179 21.092 11.370 578 H HIS 95 H HIS 95 0.304 16.287 10.490 579 HA HIS 95 HA HIS 95 -1.129 16.961 12.109 580 HB2 HIS 95 HB2 HIS 95 0.263 19.028 12.203 581 HB3 HIS 95 HB3 HIS 95 -0.745 19.767 10.971 582 HD1 HIS 95 HD1 HIS 95 -0.869 18.664 14.600 583 HD2 HIS 95 HD2 HIS 95 -2.971 21.080 11.951 584 HE1 HIS 95 HE1 HIS 95 -2.506 19.949 16.006 585 HE2 HIS 95 HE2 HIS 95 -3.929 21.201 14.343 586 H HIS 96 H HIS 96 -1.955 16.371 9.163 587 HA HIS 96 HA HIS 96 -4.602 17.531 8.928 588 HB2 HIS 96 HB2 HIS 96 -3.304 15.177 7.487 589 HB3 HIS 96 HB3 HIS 96 -4.949 15.712 7.166 590 HD1 HIS 96 HD1 HIS 96 -5.228 17.495 5.458 591 HD2 HIS 96 HD2 HIS 96 -1.313 17.246 6.828 592 HE1 HIS 96 HE1 HIS 96 -3.905 19.061 4.000 593 HE2 HIS 96 HE2 HIS 96 -1.516 18.778 4.757 594 H HIS 97 H HIS 97 -6.524 15.901 8.685 595 HA HIS 97 HA HIS 97 -6.871 14.611 11.270 596 HB2 HIS 97 HB2 HIS 97 -8.760 15.210 8.971 597 HB3 HIS 97 HB3 HIS 97 -9.268 14.243 10.351 598 HD1 HIS 97 HD1 HIS 97 -9.710 15.453 12.557 599 HD2 HIS 97 HD2 HIS 97 -8.371 17.982 9.538 600 HE1 HIS 97 HE1 HIS 97 -10.087 17.786 13.416 601 HE2 HIS 97 HE2 HIS 97 -9.309 19.296 11.555 602 H HIS 98 H HIS 98 -4.971 13.275 9.600 603 HA HIS 98 HA HIS 98 -5.940 10.778 8.676 604 HB2 HIS 98 HB2 HIS 98 -3.642 11.609 8.193 605 HB3 HIS 98 HB3 HIS 98 -3.224 11.508 9.899 606 HD1 HIS 98 HD1 HIS 98 -2.941 9.084 10.905 607 HD2 HIS 98 HD2 HIS 98 -3.471 9.189 6.779 608 HE1 HIS 98 HE1 HIS 98 -2.328 6.789 10.087 609 HE2 HIS 98 HE2 HIS 98 -2.422 6.968 7.580 610 H HIS 99 H HIS 99 -4.902 11.995 11.830 611 HA HIS 99 HA HIS 99 -5.931 9.618 13.236 612 HB2 HIS 99 HB2 HIS 99 -3.771 10.389 14.036 613 HB3 HIS 99 HB3 HIS 99 -4.350 12.042 14.200 614 HD1 HIS 99 HD1 HIS 99 -5.200 12.684 16.456 615 HD2 HIS 99 HD2 HIS 99 -5.050 8.556 15.990 616 HE1 HIS 99 HE1 HIS 99 -5.734 11.733 18.724 617 HE2 HIS 99 HE2 HIS 99 -5.741 9.239 18.388 Start of MODEL 14 1 H1 ALA 22 H1 ALA 22 -0.430 2.931 8.484 2 H2 ALA 22 H2 ALA 22 -1.051 4.204 7.571 3 H3 ALA 22 H3 ALA 22 0.613 4.049 7.773 4 HA ALA 22 HA ALA 22 -0.049 3.349 5.582 5 HB1 ALA 22 HB1 ALA 22 1.052 1.140 5.597 6 HB2 ALA 22 HB2 ALA 22 0.863 1.047 7.349 7 HB3 ALA 22 HB3 ALA 22 1.910 2.278 6.639 8 H GLU 23 H GLU 23 -2.310 3.489 5.216 9 HA GLU 23 HA GLU 23 -4.110 1.527 6.394 10 HB2 GLU 23 HB2 GLU 23 -5.929 2.874 5.391 11 HB3 GLU 23 HB3 GLU 23 -4.863 3.830 6.412 12 HG2 GLU 23 HG2 GLU 23 -3.767 4.779 4.449 13 HG3 GLU 23 HG3 GLU 23 -4.730 3.757 3.384 14 H ILE 24 H ILE 24 -4.986 -0.157 5.395 15 HA ILE 24 HA ILE 24 -4.061 -1.041 2.805 16 HB ILE 24 HB ILE 24 -6.000 -2.225 4.852 17 HG12 ILE 24 HG12 ILE 24 -3.584 -2.168 5.500 18 HG13 ILE 24 HG13 ILE 24 -4.201 -3.807 5.360 19 HG21 ILE 24 HG21 ILE 24 -5.056 -3.546 2.280 20 HG22 ILE 24 HG22 ILE 24 -6.707 -3.048 2.661 21 HG23 ILE 24 HG23 ILE 24 -5.946 -4.350 3.575 22 HD11 ILE 24 HD11 ILE 24 -2.486 -2.382 3.329 23 HD12 ILE 24 HD12 ILE 24 -3.107 -4.028 3.187 24 HD13 ILE 24 HD13 ILE 24 -1.963 -3.627 4.465 25 H MET 25 H MET 25 -4.922 -0.028 1.060 26 HA MET 25 HA MET 25 -7.835 -0.308 0.602 27 HB2 MET 25 HB2 MET 25 -6.183 2.127 -0.239 28 HB3 MET 25 HB3 MET 25 -7.827 1.804 -0.772 29 HG2 MET 25 HG2 MET 25 -8.490 1.909 1.699 30 HG3 MET 25 HG3 MET 25 -6.885 2.577 1.994 31 HE1 MET 25 HE1 MET 25 -6.549 4.260 -0.795 32 HE2 MET 25 HE2 MET 25 -6.053 4.921 0.766 33 HE3 MET 25 HE3 MET 25 -7.111 5.854 -0.291 34 H LYS 26 H LYS 26 -8.346 -0.894 -1.549 35 HA LYS 26 HA LYS 26 -6.184 -2.083 -3.103 36 HB2 LYS 26 HB2 LYS 26 -9.136 -1.872 -3.839 37 HB3 LYS 26 HB3 LYS 26 -7.942 -2.965 -4.540 38 HG2 LYS 26 HG2 LYS 26 -7.763 -4.174 -2.409 39 HG3 LYS 26 HG3 LYS 26 -8.896 -3.046 -1.660 40 HD2 LYS 26 HD2 LYS 26 -10.598 -3.795 -3.434 41 HD3 LYS 26 HD3 LYS 26 -9.461 -5.086 -3.834 42 HE2 LYS 26 HE2 LYS 26 -11.148 -5.942 -2.305 43 HE3 LYS 26 HE3 LYS 26 -9.597 -5.885 -1.465 44 HZ1 LYS 26 HZ1 LYS 26 -10.301 -3.802 -0.431 45 HZ2 LYS 26 HZ2 LYS 26 -11.378 -5.055 -0.070 46 HZ3 LYS 26 HZ3 LYS 26 -11.790 -3.891 -1.226 47 H LYS 27 H LYS 27 -6.045 -1.621 -5.497 48 HA LYS 27 HA LYS 27 -5.511 1.063 -6.074 49 HB2 LYS 27 HB2 LYS 27 -4.860 -1.193 -7.336 50 HB3 LYS 27 HB3 LYS 27 -6.283 -0.851 -8.301 51 HG2 LYS 27 HG2 LYS 27 -3.862 0.977 -8.019 52 HG3 LYS 27 HG3 LYS 27 -4.178 -0.102 -9.373 53 HD2 LYS 27 HD2 LYS 27 -5.950 2.247 -8.580 54 HD3 LYS 27 HD3 LYS 27 -4.737 2.296 -9.857 55 HE2 LYS 27 HE2 LYS 27 -5.985 0.583 -11.118 56 HE3 LYS 27 HE3 LYS 27 -7.176 0.476 -9.821 57 HZ1 LYS 27 HZ1 LYS 27 -7.849 2.709 -10.244 58 HZ2 LYS 27 HZ2 LYS 27 -7.881 1.859 -11.705 59 HZ3 LYS 27 HZ3 LYS 27 -6.617 2.935 -11.380 60 H THR 28 H THR 28 -8.429 -0.866 -6.710 61 HA THR 28 HA THR 28 -10.034 0.788 -8.207 62 HB THR 28 HB THR 28 -10.877 -1.024 -5.901 63 HG1 THR 28 HG1 THR 28 -10.426 -2.621 -7.207 64 HG21 THR 28 HG21 THR 28 -12.499 -0.143 -8.323 65 HG22 THR 28 HG22 THR 28 -12.752 0.419 -6.667 66 HG23 THR 28 HG23 THR 28 -13.020 -1.276 -7.074 67 H ASP 29 H ASP 29 -9.741 0.774 -4.655 68 HA ASP 29 HA ASP 29 -11.698 2.855 -4.206 69 HB2 ASP 29 HB2 ASP 29 -9.661 1.677 -2.252 70 HB3 ASP 29 HB3 ASP 29 -11.118 2.580 -1.837 71 H PHE 30 H PHE 30 -8.207 2.533 -4.089 72 HA PHE 30 HA PHE 30 -7.553 5.021 -2.934 73 HB2 PHE 30 HB2 PHE 30 -5.970 3.217 -2.793 74 HB3 PHE 30 HB3 PHE 30 -5.961 2.991 -4.540 75 HD1 PHE 30 HD1 PHE 30 -4.978 5.384 -1.846 76 HD2 PHE 30 HD2 PHE 30 -4.386 4.164 -5.907 77 HE1 PHE 30 HE1 PHE 30 -3.087 6.919 -2.047 78 HE2 PHE 30 HE2 PHE 30 -2.492 5.710 -6.082 79 HZ PHE 30 HZ PHE 30 -1.851 7.082 -4.155 80 H ASP 31 H ASP 31 -7.946 4.011 -6.273 81 HA ASP 31 HA ASP 31 -6.478 5.834 -7.725 82 HB2 ASP 31 HB2 ASP 31 -7.648 3.864 -8.662 83 HB3 ASP 31 HB3 ASP 31 -9.198 4.652 -8.409 84 H LYS 32 H LYS 32 -9.722 6.208 -6.425 85 HA LYS 32 HA LYS 32 -10.597 8.545 -7.685 86 HB2 LYS 32 HB2 LYS 32 -11.298 7.556 -4.886 87 HB3 LYS 32 HB3 LYS 32 -12.256 8.671 -5.857 88 HG2 LYS 32 HG2 LYS 32 -12.664 6.880 -7.516 89 HG3 LYS 32 HG3 LYS 32 -11.699 5.763 -6.545 90 HD2 LYS 32 HD2 LYS 32 -13.326 6.011 -4.674 91 HD3 LYS 32 HD3 LYS 32 -14.296 7.099 -5.670 92 HE2 LYS 32 HE2 LYS 32 -15.279 4.868 -5.698 93 HE3 LYS 32 HE3 LYS 32 -14.645 5.237 -7.302 94 HZ1 LYS 32 HZ1 LYS 32 -13.324 3.554 -5.243 95 HZ2 LYS 32 HZ2 LYS 32 -12.675 3.921 -6.761 96 HZ3 LYS 32 HZ3 LYS 32 -14.089 2.996 -6.647 97 H VAL 33 H VAL 33 -8.536 8.131 -4.837 98 HA VAL 33 HA VAL 33 -8.406 11.068 -4.405 99 HB VAL 33 HB VAL 33 -7.588 10.542 -2.083 100 HG11 VAL 33 HG11 VAL 33 -9.971 11.039 -2.445 101 HG12 VAL 33 HG12 VAL 33 -9.773 9.856 -1.152 102 HG13 VAL 33 HG13 VAL 33 -10.297 9.331 -2.754 103 HG21 VAL 33 HG21 VAL 33 -8.292 7.647 -2.762 104 HG22 VAL 33 HG22 VAL 33 -7.834 8.250 -1.169 105 HG23 VAL 33 HG23 VAL 33 -6.662 8.272 -2.484 106 H ALA 34 H ALA 34 -6.767 8.949 -6.163 107 HA ALA 34 HA ALA 34 -4.162 8.700 -5.132 108 HB1 ALA 34 HB1 ALA 34 -4.976 8.820 -8.051 109 HB2 ALA 34 HB2 ALA 34 -5.014 7.382 -7.032 110 HB3 ALA 34 HB3 ALA 34 -3.470 8.139 -7.424 111 H SER 35 H SER 35 -5.650 11.421 -6.670 112 HA SER 35 HA SER 35 -3.535 12.929 -7.670 113 HB2 SER 35 HB2 SER 35 -6.099 13.934 -6.351 114 HB3 SER 35 HB3 SER 35 -5.095 14.826 -7.500 115 HG SER 35 HG SER 35 -5.542 13.124 -9.019 116 H GLU 36 H GLU 36 -4.497 12.407 -4.327 117 HA GLU 36 HA GLU 36 -2.705 14.543 -3.355 118 HB2 GLU 36 HB2 GLU 36 -4.992 13.024 -2.071 119 HB3 GLU 36 HB3 GLU 36 -3.887 14.007 -1.119 120 HG2 GLU 36 HG2 GLU 36 -5.710 14.960 -3.348 121 HG3 GLU 36 HG3 GLU 36 -5.896 15.270 -1.621 122 H TYR 37 H TYR 37 -1.950 11.701 -4.361 123 HA TYR 37 HA TYR 37 -0.203 11.106 -2.048 124 HB2 TYR 37 HB2 TYR 37 -1.773 9.035 -3.620 125 HB3 TYR 37 HB3 TYR 37 -0.515 8.656 -2.445 126 HD1 TYR 37 HD2 TYR 37 -3.984 9.914 -2.854 127 HD2 TYR 37 HD1 TYR 37 -0.931 8.927 -0.044 128 HE1 TYR 37 HE2 TYR 37 -5.627 9.992 -1.043 129 HE2 TYR 37 HE1 TYR 37 -2.570 9.030 1.770 130 HH TYR 37 HH TYR 37 -5.885 9.027 1.261 131 H THR 38 H THR 38 1.717 10.017 -2.514 132 HA THR 38 HA THR 38 2.779 10.342 -5.261 133 HB THR 38 HB THR 38 4.993 10.899 -3.998 134 HG1 THR 38 HG1 THR 38 3.123 11.434 -1.911 135 HG21 THR 38 HG21 THR 38 2.747 12.927 -3.917 136 HG22 THR 38 HG22 THR 38 3.819 12.618 -5.281 137 HG23 THR 38 HG23 THR 38 4.463 13.296 -3.785 138 H LYS 39 H LYS 39 3.459 8.443 -6.044 139 HA LYS 39 HA LYS 39 3.678 6.055 -4.497 140 HB2 LYS 39 HB2 LYS 39 2.949 6.197 -6.907 141 HB3 LYS 39 HB3 LYS 39 4.599 6.563 -7.366 142 HG2 LYS 39 HG2 LYS 39 4.015 4.001 -5.876 143 HG3 LYS 39 HG3 LYS 39 3.618 4.115 -7.588 144 HD2 LYS 39 HD2 LYS 39 6.066 4.837 -7.951 145 HD3 LYS 39 HD3 LYS 39 6.352 4.315 -6.288 146 HE2 LYS 39 HE2 LYS 39 6.950 2.550 -7.893 147 HE3 LYS 39 HE3 LYS 39 5.609 2.042 -6.865 148 HZ1 LYS 39 HZ1 LYS 39 5.335 1.495 -9.244 149 HZ2 LYS 39 HZ2 LYS 39 5.263 3.146 -9.597 150 HZ3 LYS 39 HZ3 LYS 39 4.078 2.437 -8.622 151 H ILE 40 H ILE 40 5.318 5.716 -3.120 152 HA ILE 40 HA ILE 40 7.985 6.847 -3.683 153 HB ILE 40 HB ILE 40 8.522 6.490 -1.333 154 HG12 ILE 40 HG12 ILE 40 5.687 5.427 -0.894 155 HG13 ILE 40 HG13 ILE 40 7.101 4.384 -1.012 156 HG21 ILE 40 HG21 ILE 40 6.935 8.098 -0.309 157 HG22 ILE 40 HG22 ILE 40 5.826 7.870 -1.663 158 HG23 ILE 40 HG23 ILE 40 7.412 8.597 -1.933 159 HD11 ILE 40 HD11 ILE 40 6.479 4.750 1.297 160 HD12 ILE 40 HD12 ILE 40 6.622 6.493 1.091 161 HD13 ILE 40 HD13 ILE 40 8.057 5.471 0.976 162 H GLY 41 H GLY 41 6.300 3.930 -3.989 163 HA2 GLY 41 HA2 GLY 41 8.293 2.492 -5.190 164 HA3 GLY 41 HA3 GLY 41 8.456 2.081 -3.484 165 H THR 42 H THR 42 8.017 -0.029 -4.771 166 HA THR 42 HA THR 42 5.221 -0.739 -4.104 167 HB THR 42 HB THR 42 6.781 -2.124 -6.351 168 HG1 THR 42 HG1 THR 42 4.712 -0.155 -6.601 169 HG21 THR 42 HG21 THR 42 4.576 -3.056 -6.967 170 HG22 THR 42 HG22 THR 42 3.806 -2.180 -5.644 171 HG23 THR 42 HG23 THR 42 4.961 -3.468 -5.293 172 H ILE 43 H ILE 43 5.071 -2.563 -2.835 173 HA ILE 43 HA ILE 43 7.529 -4.066 -2.142 174 HB ILE 43 HB ILE 43 6.484 -4.482 0.112 175 HG12 ILE 43 HG12 ILE 43 4.447 -2.385 -0.788 176 HG13 ILE 43 HG13 ILE 43 4.110 -4.090 -0.509 177 HG21 ILE 43 HG21 ILE 43 6.931 -1.539 -0.522 178 HG22 ILE 43 HG22 ILE 43 8.188 -2.722 -0.161 179 HG23 ILE 43 HG23 ILE 43 7.018 -2.280 1.080 180 HD11 ILE 43 HD11 ILE 43 3.318 -2.772 1.325 181 HD12 ILE 43 HD12 ILE 43 4.912 -2.057 1.560 182 HD13 ILE 43 HD13 ILE 43 4.660 -3.779 1.870 183 H SER 44 H SER 44 6.916 -6.285 -1.184 184 HA SER 44 HA SER 44 4.582 -7.584 -2.313 185 HB2 SER 44 HB2 SER 44 6.017 -9.262 -3.593 186 HB3 SER 44 HB3 SER 44 6.005 -7.637 -4.279 187 HG SER 44 HG SER 44 7.997 -7.272 -3.139 188 H THR 45 H THR 45 4.165 -9.610 -1.343 189 HA THR 45 HA THR 45 5.288 -9.898 1.295 190 HB THR 45 HB THR 45 3.592 -11.734 1.545 191 HG1 THR 45 HG1 THR 45 3.669 -12.026 -0.959 192 HG21 THR 45 HG21 THR 45 2.952 -9.405 2.065 193 HG22 THR 45 HG22 THR 45 1.592 -10.307 1.395 194 HG23 THR 45 HG23 THR 45 2.474 -9.163 0.382 195 H THR 46 H THR 46 6.906 -11.210 1.879 196 HA THR 46 HA THR 46 8.320 -12.885 0.075 197 HB THR 46 HB THR 46 8.563 -12.647 3.109 198 HG1 THR 46 HG1 THR 46 10.355 -11.499 1.255 199 HG21 THR 46 HG21 THR 46 10.556 -13.791 1.093 200 HG22 THR 46 HG22 THR 46 9.650 -14.732 2.277 201 HG23 THR 46 HG23 THR 46 10.852 -13.565 2.820 202 H GLY 47 H GLY 47 7.730 -14.849 -0.503 203 HA2 GLY 47 HA2 GLY 47 7.166 -17.098 -0.299 204 HA3 GLY 47 HA3 GLY 47 6.724 -16.824 1.381 205 H GLU 48 H GLU 48 4.639 -17.436 1.605 206 HA GLU 48 HA GLU 48 2.538 -16.170 0.087 207 HB2 GLU 48 HB2 GLU 48 1.495 -18.357 -0.658 208 HB3 GLU 48 HB3 GLU 48 2.982 -17.939 -1.501 209 HG2 GLU 48 HG2 GLU 48 4.247 -19.536 -0.136 210 HG3 GLU 48 HG3 GLU 48 2.799 -19.925 0.788 211 H MET 49 H MET 49 0.989 -15.724 1.506 212 HA MET 49 HA MET 49 -0.068 -17.789 3.254 213 HB2 MET 49 HB2 MET 49 -0.308 -15.665 5.033 214 HB3 MET 49 HB3 MET 49 0.872 -16.950 5.171 215 HG2 MET 49 HG2 MET 49 1.905 -14.803 5.547 216 HG3 MET 49 HG3 MET 49 2.542 -15.519 4.064 217 HE1 MET 49 HE1 MET 49 2.598 -11.621 3.467 218 HE2 MET 49 HE2 MET 49 3.580 -13.080 3.593 219 HE3 MET 49 HE3 MET 49 2.791 -12.420 5.026 220 H SER 50 H SER 50 -2.084 -16.695 4.442 221 HA SER 50 HA SER 50 -4.015 -16.089 2.490 222 HB2 SER 50 HB2 SER 50 -5.457 -15.566 4.493 223 HB3 SER 50 HB3 SER 50 -4.626 -17.112 4.623 224 HG SER 50 HG SER 50 -4.171 -16.246 6.518 225 HA PRO 51 HA PRO 51 -3.266 -11.654 1.587 226 HB2 PRO 51 HB2 PRO 51 -6.296 -11.785 1.434 227 HB3 PRO 51 HB3 PRO 51 -5.149 -10.961 0.351 228 HG2 PRO 51 HG2 PRO 51 -6.179 -13.294 -0.355 229 HG3 PRO 51 HG3 PRO 51 -4.466 -12.931 -0.663 230 HD2 PRO 51 HD2 PRO 51 -5.658 -14.765 1.380 231 HD3 PRO 51 HD3 PRO 51 -4.087 -14.862 0.552 232 H LEU 52 H LEU 52 -5.603 -12.716 4.039 233 HA LEU 52 HA LEU 52 -6.055 -10.230 5.330 234 HB2 LEU 52 HB2 LEU 52 -7.375 -12.416 5.565 235 HB3 LEU 52 HB3 LEU 52 -6.112 -12.990 6.629 236 HG LEU 52 HG LEU 52 -8.238 -12.148 7.744 237 HD11 LEU 52 HD11 LEU 52 -7.182 -11.026 9.607 238 HD12 LEU 52 HD12 LEU 52 -5.728 -10.725 8.652 239 HD13 LEU 52 HD13 LEU 52 -6.194 -12.379 9.060 240 HD21 LEU 52 HD21 LEU 52 -7.245 -9.419 6.888 241 HD22 LEU 52 HD22 LEU 52 -8.592 -9.741 7.984 242 HD23 LEU 52 HD23 LEU 52 -8.691 -10.245 6.300 243 H ASP 53 H ASP 53 -3.726 -12.879 6.026 244 HA ASP 53 HA ASP 53 -2.324 -11.488 8.106 245 HB2 ASP 53 HB2 ASP 53 -2.311 -13.973 7.893 246 HB3 ASP 53 HB3 ASP 53 -1.402 -13.842 6.393 247 H ALA 54 H ALA 54 -1.970 -11.801 4.640 248 HA ALA 54 HA ALA 54 0.595 -10.749 4.239 249 HB1 ALA 54 HB1 ALA 54 -0.670 -12.016 2.532 250 HB2 ALA 54 HB2 ALA 54 -0.074 -10.478 1.893 251 HB3 ALA 54 HB3 ALA 54 -1.773 -10.652 2.339 252 H ARG 55 H ARG 55 -2.555 -9.152 4.597 253 HA ARG 55 HA ARG 55 -2.007 -6.514 3.921 254 HB2 ARG 55 HB2 ARG 55 -3.703 -7.559 6.229 255 HB3 ARG 55 HB3 ARG 55 -3.664 -5.864 5.750 256 HG2 ARG 55 HG2 ARG 55 -4.610 -6.417 3.569 257 HG3 ARG 55 HG3 ARG 55 -4.560 -8.137 3.957 258 HD2 ARG 55 HD2 ARG 55 -6.123 -7.700 5.866 259 HD3 ARG 55 HD3 ARG 55 -6.243 -6.020 5.334 260 HE ARG 55 HE ARG 55 -6.877 -7.682 3.170 261 HH11 ARG 55 HH11 ARG 55 -8.258 -6.775 6.282 262 HH12 ARG 55 HH12 ARG 55 -9.889 -7.065 5.771 263 HH21 ARG 55 HH21 ARG 55 -9.020 -8.093 2.555 264 HH22 ARG 55 HH22 ARG 55 -10.317 -7.808 3.669 265 H GLU 56 H GLU 56 -1.363 -8.200 6.971 266 HA GLU 56 HA GLU 56 -0.444 -5.976 8.469 267 HB2 GLU 56 HB2 GLU 56 0.141 -8.932 8.914 268 HB3 GLU 56 HB3 GLU 56 0.254 -7.661 10.126 269 HG2 GLU 56 HG2 GLU 56 -2.269 -8.691 8.788 270 HG3 GLU 56 HG3 GLU 56 -1.785 -8.947 10.463 271 H ASP 57 H ASP 57 1.222 -8.400 6.498 272 HA ASP 57 HA ASP 57 3.901 -7.680 7.137 273 HB2 ASP 57 HB2 ASP 57 3.338 -9.836 6.067 274 HB3 ASP 57 HB3 ASP 57 2.747 -8.993 4.637 275 H LEU 58 H LEU 58 1.690 -6.751 4.525 276 HA LEU 58 HA LEU 58 3.403 -4.956 3.168 277 HB2 LEU 58 HB2 LEU 58 0.369 -5.121 3.262 278 HB3 LEU 58 HB3 LEU 58 1.270 -4.131 2.126 279 HG LEU 58 HG LEU 58 1.485 -7.165 2.261 280 HD11 LEU 58 HD11 LEU 58 -0.772 -6.553 1.590 281 HD12 LEU 58 HD12 LEU 58 0.119 -7.237 0.234 282 HD13 LEU 58 HD13 LEU 58 -0.135 -5.492 0.328 283 HD21 LEU 58 HD21 LEU 58 3.485 -6.082 1.310 284 HD22 LEU 58 HD22 LEU 58 2.478 -5.234 0.135 285 HD23 LEU 58 HD23 LEU 58 2.605 -6.994 0.084 286 H ILE 59 H ILE 59 1.107 -4.489 5.848 287 HA ILE 59 HA ILE 59 1.253 -1.664 6.086 288 HB ILE 59 HB ILE 59 0.630 -3.819 8.159 289 HG12 ILE 59 HG12 ILE 59 -1.239 -1.805 6.808 290 HG13 ILE 59 HG13 ILE 59 -1.014 -3.464 6.267 291 HG21 ILE 59 HG21 ILE 59 1.498 -1.891 9.399 292 HG22 ILE 59 HG22 ILE 59 -0.236 -2.027 9.661 293 HG23 ILE 59 HG23 ILE 59 0.395 -0.801 8.556 294 HD11 ILE 59 HD11 ILE 59 -3.050 -3.231 7.550 295 HD12 ILE 59 HD12 ILE 59 -2.145 -2.613 8.931 296 HD13 ILE 59 HD13 ILE 59 -1.916 -4.283 8.397 297 H LYS 60 H LYS 60 3.164 -4.301 7.563 298 HA LYS 60 HA LYS 60 4.772 -2.736 9.275 299 HB2 LYS 60 HB2 LYS 60 4.620 -5.190 9.502 300 HB3 LYS 60 HB3 LYS 60 5.408 -5.407 7.942 301 HG2 LYS 60 HG2 LYS 60 7.469 -4.342 8.865 302 HG3 LYS 60 HG3 LYS 60 6.673 -4.199 10.429 303 HD2 LYS 60 HD2 LYS 60 8.187 -6.097 10.444 304 HD3 LYS 60 HD3 LYS 60 6.529 -6.675 10.569 305 HE2 LYS 60 HE2 LYS 60 7.981 -6.593 7.908 306 HE3 LYS 60 HE3 LYS 60 8.150 -7.961 9.007 307 HZ1 LYS 60 HZ1 LYS 60 5.708 -8.193 8.929 308 HZ2 LYS 60 HZ2 LYS 60 6.454 -8.442 7.433 309 HZ3 LYS 60 HZ3 LYS 60 5.655 -6.990 7.743 310 H LYS 61 H LYS 61 5.404 -3.946 5.956 311 HA LYS 61 HA LYS 61 7.965 -2.801 5.602 312 HB2 LYS 61 HB2 LYS 61 5.881 -3.457 3.478 313 HB3 LYS 61 HB3 LYS 61 7.574 -3.103 3.155 314 HG2 LYS 61 HG2 LYS 61 8.212 -5.131 4.460 315 HG3 LYS 61 HG3 LYS 61 6.497 -5.503 4.671 316 HD2 LYS 61 HD2 LYS 61 6.281 -5.557 2.146 317 HD3 LYS 61 HD3 LYS 61 8.032 -5.364 2.047 318 HE2 LYS 61 HE2 LYS 61 6.560 -7.694 3.316 319 HE3 LYS 61 HE3 LYS 61 7.396 -7.710 1.767 320 HZ1 LYS 61 HZ1 LYS 61 8.641 -7.337 4.433 321 HZ2 LYS 61 HZ2 LYS 61 9.469 -7.262 2.964 322 HZ3 LYS 61 HZ3 LYS 61 8.752 -8.710 3.453 323 H ALA 62 H ALA 62 4.732 -1.630 4.635 324 HA ALA 62 HA ALA 62 5.545 0.752 3.359 325 HB1 ALA 62 HB1 ALA 62 3.328 -0.267 3.031 326 HB2 ALA 62 HB2 ALA 62 3.186 1.426 3.508 327 HB3 ALA 62 HB3 ALA 62 2.883 0.145 4.686 328 H ASP 63 H ASP 63 4.728 0.082 6.744 329 HA ASP 63 HA ASP 63 4.728 2.797 7.659 330 HB2 ASP 63 HB2 ASP 63 3.645 0.936 8.924 331 HB3 ASP 63 HB3 ASP 63 5.227 0.228 9.237 332 H GLU 64 H GLU 64 7.138 0.198 7.578 333 HA GLU 64 HA GLU 64 9.342 1.567 8.678 334 HB2 GLU 64 HB2 GLU 64 9.273 -0.870 8.386 335 HB3 GLU 64 HB3 GLU 64 9.232 -0.687 6.637 336 HG2 GLU 64 HG2 GLU 64 11.509 0.135 6.602 337 HG3 GLU 64 HG3 GLU 64 11.566 0.196 8.363 338 H LYS 65 H LYS 65 7.965 1.584 5.430 339 HA LYS 65 HA LYS 65 10.074 3.288 4.318 340 HB2 LYS 65 HB2 LYS 65 7.424 2.385 3.124 341 HB3 LYS 65 HB3 LYS 65 8.706 3.217 2.246 342 HG2 LYS 65 HG2 LYS 65 8.902 0.453 3.488 343 HG3 LYS 65 HG3 LYS 65 8.693 0.804 1.772 344 HD2 LYS 65 HD2 LYS 65 10.903 1.947 1.753 345 HD3 LYS 65 HD3 LYS 65 11.114 1.563 3.463 346 HE2 LYS 65 HE2 LYS 65 11.098 -0.840 2.940 347 HE3 LYS 65 HE3 LYS 65 10.818 -0.479 1.234 348 HZ1 LYS 65 HZ1 LYS 65 13.212 0.295 2.798 349 HZ2 LYS 65 HZ2 LYS 65 12.942 0.650 1.165 350 HZ3 LYS 65 HZ3 LYS 65 13.129 -0.955 1.662 351 H GLY 66 H GLY 66 7.342 3.812 6.239 352 HA2 GLY 66 HA2 GLY 66 6.413 5.762 7.033 353 HA3 GLY 66 HA3 GLY 66 7.436 6.682 5.945 354 H ALA 67 H ALA 67 5.704 4.334 4.254 355 HA ALA 67 HA ALA 67 4.142 6.141 2.763 356 HB1 ALA 67 HB1 ALA 67 3.215 4.163 1.666 357 HB2 ALA 67 HB2 ALA 67 3.879 3.135 2.943 358 HB3 ALA 67 HB3 ALA 67 4.963 4.011 1.867 359 H ASP 68 H ASP 68 2.082 6.818 2.936 360 HA ASP 68 HA ASP 68 0.667 6.395 5.427 361 HB2 ASP 68 HB2 ASP 68 0.150 8.215 3.051 362 HB3 ASP 68 HB3 ASP 68 -0.928 8.132 4.442 363 H VAL 69 H VAL 69 0.317 5.403 2.055 364 HA VAL 69 HA VAL 69 -2.007 3.742 2.846 365 HB VAL 69 HB VAL 69 -1.673 5.085 0.115 366 HG11 VAL 69 HG11 VAL 69 -3.939 3.316 1.152 367 HG12 VAL 69 HG12 VAL 69 -2.763 2.872 -0.083 368 HG13 VAL 69 HG13 VAL 69 -3.928 4.154 -0.404 369 HG21 VAL 69 HG21 VAL 69 -2.384 6.706 1.841 370 HG22 VAL 69 HG22 VAL 69 -3.730 5.659 2.287 371 HG23 VAL 69 HG23 VAL 69 -3.682 6.399 0.687 372 H VAL 70 H VAL 70 -1.842 1.688 2.390 373 HA VAL 70 HA VAL 70 0.213 0.589 0.584 374 HB VAL 70 HB VAL 70 -1.732 -0.975 2.355 375 HG11 VAL 70 HG11 VAL 70 0.951 -1.762 1.148 376 HG12 VAL 70 HG12 VAL 70 -0.637 -2.273 0.572 377 HG13 VAL 70 HG13 VAL 70 -0.069 -2.790 2.157 378 HG21 VAL 70 HG21 VAL 70 0.045 -1.167 4.069 379 HG22 VAL 70 HG22 VAL 70 -0.495 0.501 3.868 380 HG23 VAL 70 HG23 VAL 70 1.036 -0.020 3.167 381 H VAL 71 H VAL 71 -0.515 0.477 -1.463 382 HA VAL 71 HA VAL 71 -3.400 0.302 -2.056 383 HB VAL 71 HB VAL 71 -1.088 1.015 -3.917 384 HG11 VAL 71 HG11 VAL 71 -4.095 1.313 -4.330 385 HG12 VAL 71 HG12 VAL 71 -3.035 0.173 -5.160 386 HG13 VAL 71 HG13 VAL 71 -2.846 1.904 -5.431 387 HG21 VAL 71 HG21 VAL 71 -1.292 2.679 -2.125 388 HG22 VAL 71 HG22 VAL 71 -3.015 2.867 -2.462 389 HG23 VAL 71 HG23 VAL 71 -1.821 3.364 -3.662 390 H LEU 72 H LEU 72 -3.934 -1.793 -2.057 391 HA LEU 72 HA LEU 72 -2.366 -3.982 -2.895 392 HB2 LEU 72 HB2 LEU 72 -5.402 -3.877 -2.719 393 HB3 LEU 72 HB3 LEU 72 -4.391 -5.313 -2.661 394 HG LEU 72 HG LEU 72 -4.521 -3.142 -0.526 395 HD11 LEU 72 HD11 LEU 72 -5.549 -5.986 -0.475 396 HD12 LEU 72 HD12 LEU 72 -6.521 -4.512 -0.532 397 HD13 LEU 72 HD13 LEU 72 -5.542 -4.865 0.888 398 HD21 LEU 72 HD21 LEU 72 -2.254 -4.076 -0.636 399 HD22 LEU 72 HD22 LEU 72 -2.903 -5.714 -0.515 400 HD23 LEU 72 HD23 LEU 72 -3.074 -4.592 0.838 401 H THR 73 H THR 73 -1.554 -3.480 -4.885 402 HA THR 73 HA THR 73 -3.272 -3.139 -7.227 403 HB THR 73 HB THR 73 -0.976 -3.035 -8.405 404 HG1 THR 73 HG1 THR 73 0.747 -2.585 -6.771 405 HG21 THR 73 HG21 THR 73 -2.198 -0.971 -7.772 406 HG22 THR 73 HG22 THR 73 -0.459 -0.758 -7.563 407 HG23 THR 73 HG23 THR 73 -1.488 -1.042 -6.159 408 H SER 74 H SER 74 -1.942 -5.699 -5.432 409 HA SER 74 HA SER 74 -1.493 -7.710 -7.345 410 HB2 SER 74 HB2 SER 74 -0.854 -7.984 -4.991 411 HB3 SER 74 HB3 SER 74 -2.544 -7.926 -4.490 412 HG SER 74 HG SER 74 -1.188 -9.956 -5.924 413 H GLY 75 H GLY 75 -2.841 -9.306 -8.211 414 HA2 GLY 75 HA2 GLY 75 -5.512 -8.800 -8.878 415 HA3 GLY 75 HA3 GLY 75 -4.720 -10.368 -8.959 416 H GLN 76 H GLN 76 -4.130 -10.479 -6.113 417 HA GLN 76 HA GLN 76 -4.925 -10.972 -4.051 418 HB2 GLN 76 HB2 GLN 76 -5.700 -8.575 -4.297 419 HB3 GLN 76 HB3 GLN 76 -7.265 -9.181 -4.823 420 HG2 GLN 76 HG2 GLN 76 -7.478 -10.313 -2.575 421 HG3 GLN 76 HG3 GLN 76 -6.006 -9.469 -2.076 422 HE21 GLN 76 HE21 GLN 76 -6.079 -7.199 -1.855 423 HE22 GLN 76 HE22 GLN 76 -7.573 -6.357 -1.672 424 H THR 77 H THR 77 -5.639 -12.662 -6.335 425 HA THR 77 HA THR 77 -8.345 -13.469 -6.323 426 HB THR 77 HB THR 77 -6.788 -13.827 -8.221 427 HG1 THR 77 HG1 THR 77 -8.767 -15.117 -7.868 428 HG21 THR 77 HG21 THR 77 -4.776 -14.618 -7.022 429 HG22 THR 77 HG22 THR 77 -5.261 -15.763 -8.276 430 HG23 THR 77 HG23 THR 77 -5.619 -16.104 -6.582 431 H GLU 78 H GLU 78 -5.704 -14.324 -4.286 432 HA GLU 78 HA GLU 78 -5.369 -15.666 -2.524 433 HB2 GLU 78 HB2 GLU 78 -7.426 -14.481 -1.724 434 HB3 GLU 78 HB3 GLU 78 -8.403 -15.798 -2.366 435 HG2 GLU 78 HG2 GLU 78 -7.322 -17.370 -0.818 436 HG3 GLU 78 HG3 GLU 78 -6.311 -16.074 -0.191 437 H ASN 79 H ASN 79 -4.563 -17.029 -4.263 438 HA ASN 79 HA ASN 79 -5.255 -19.766 -3.919 439 HB2 ASN 79 HB2 ASN 79 -7.027 -19.223 -5.580 440 HB3 ASN 79 HB3 ASN 79 -5.827 -18.522 -6.658 441 HD21 ASN 79 HD21 ASN 79 -7.032 -21.521 -5.277 442 HD22 ASN 79 HD22 ASN 79 -6.352 -22.569 -6.471 443 H LYS 80 H LYS 80 -3.848 -17.584 -6.349 444 HA LYS 80 HA LYS 80 -1.122 -18.442 -5.642 445 HB2 LYS 80 HB2 LYS 80 -2.165 -18.346 -8.519 446 HB3 LYS 80 HB3 LYS 80 -0.471 -18.512 -8.072 447 HG2 LYS 80 HG2 LYS 80 -0.974 -20.683 -6.997 448 HG3 LYS 80 HG3 LYS 80 -2.666 -20.521 -7.470 449 HD2 LYS 80 HD2 LYS 80 -1.520 -22.008 -9.022 450 HD3 LYS 80 HD3 LYS 80 -1.979 -20.529 -9.863 451 HE2 LYS 80 HE2 LYS 80 0.329 -19.687 -9.670 452 HE3 LYS 80 HE3 LYS 80 0.800 -21.139 -8.784 453 HZ1 LYS 80 HZ1 LYS 80 -0.215 -21.088 -11.567 454 HZ2 LYS 80 HZ2 LYS 80 0.322 -22.453 -10.729 455 HZ3 LYS 80 HZ3 LYS 80 1.406 -21.221 -11.126 456 H ILE 81 H ILE 81 -0.544 -16.501 -4.778 457 HA ILE 81 HA ILE 81 -0.474 -14.137 -6.529 458 HB ILE 81 HB ILE 81 -0.972 -12.639 -4.545 459 HG12 ILE 81 HG12 ILE 81 -2.012 -15.193 -3.219 460 HG13 ILE 81 HG13 ILE 81 -0.535 -14.354 -2.760 461 HG21 ILE 81 HG21 ILE 81 -2.687 -12.996 -6.255 462 HG22 ILE 81 HG22 ILE 81 -3.429 -12.822 -4.666 463 HG23 ILE 81 HG23 ILE 81 -3.283 -14.421 -5.400 464 HD11 ILE 81 HD11 ILE 81 -3.337 -13.263 -2.541 465 HD12 ILE 81 HD12 ILE 81 -1.860 -12.400 -2.102 466 HD13 ILE 81 HD13 ILE 81 -2.324 -13.858 -1.224 467 H HIS 82 H HIS 82 1.324 -12.879 -6.296 468 HA HIS 82 HA HIS 82 3.515 -13.749 -4.551 469 HB2 HIS 82 HB2 HIS 82 3.427 -11.427 -6.529 470 HB3 HIS 82 HB3 HIS 82 4.866 -12.084 -5.752 471 HD1 HIS 82 HD1 HIS 82 5.411 -14.670 -6.453 472 HD2 HIS 82 HD2 HIS 82 2.855 -12.532 -8.926 473 HE1 HIS 82 HE1 HIS 82 5.358 -15.941 -8.621 474 HE2 HIS 82 HE2 HIS 82 3.684 -14.722 -10.044 475 H GLY 83 H GLY 83 0.993 -11.388 -4.694 476 HA2 GLY 83 HA2 GLY 83 0.074 -10.116 -3.021 477 HA3 GLY 83 HA3 GLY 83 1.318 -10.699 -1.927 478 H THR 84 H THR 84 1.005 -8.566 -4.790 479 HA THR 84 HA THR 84 3.151 -6.830 -3.735 480 HB THR 84 HB THR 84 3.135 -5.774 -6.011 481 HG1 THR 84 HG1 THR 84 1.134 -6.122 -6.810 482 HG21 THR 84 HG21 THR 84 4.714 -7.616 -5.598 483 HG22 THR 84 HG22 THR 84 4.137 -7.647 -7.262 484 HG23 THR 84 HG23 THR 84 3.494 -8.800 -6.088 485 H ALA 85 H ALA 85 2.845 -4.654 -3.402 486 HA ALA 85 HA ALA 85 0.252 -3.375 -3.884 487 HB1 ALA 85 HB1 ALA 85 1.436 -3.590 -1.085 488 HB2 ALA 85 HB2 ALA 85 -0.016 -4.411 -1.657 489 HB3 ALA 85 HB3 ALA 85 0.009 -2.651 -1.541 490 H ASP 86 H ASP 86 0.613 -1.355 -4.587 491 HA ASP 86 HA ASP 86 3.272 -0.166 -4.537 492 HB2 ASP 86 HB2 ASP 86 0.594 0.639 -5.711 493 HB3 ASP 86 HB3 ASP 86 1.888 1.825 -5.598 494 H ILE 87 H ILE 87 4.001 1.264 -3.061 495 HA ILE 87 HA ILE 87 2.144 2.084 -0.921 496 HB ILE 87 HB ILE 87 4.242 2.516 0.411 497 HG12 ILE 87 HG12 ILE 87 5.629 1.091 -1.905 498 HG13 ILE 87 HG13 ILE 87 5.859 2.777 -1.464 499 HG21 ILE 87 HG21 ILE 87 3.829 -0.320 -0.592 500 HG22 ILE 87 HG22 ILE 87 2.921 0.471 0.700 501 HG23 ILE 87 HG23 ILE 87 4.638 0.133 0.910 502 HD11 ILE 87 HD11 ILE 87 6.614 0.395 0.221 503 HD12 ILE 87 HD12 ILE 87 6.874 2.089 0.643 504 HD13 ILE 87 HD13 ILE 87 7.708 1.387 -0.741 505 H TYR 88 H TYR 88 1.748 4.118 -0.437 506 HA TYR 88 HA TYR 88 2.966 6.296 -2.044 507 HB2 TYR 88 HB2 TYR 88 0.017 5.703 -1.575 508 HB3 TYR 88 HB3 TYR 88 0.579 7.302 -2.049 509 HD1 TYR 88 HD2 TYR 88 0.735 3.713 -3.195 510 HD2 TYR 88 HD1 TYR 88 0.662 7.821 -4.353 511 HE1 TYR 88 HE2 TYR 88 0.519 3.055 -5.539 512 HE2 TYR 88 HE1 TYR 88 0.444 7.153 -6.707 513 HH TYR 88 HH TYR 88 -0.221 3.901 -7.639 514 H LYS 89 H LYS 89 3.019 8.297 -1.052 515 HA LYS 89 HA LYS 89 2.242 8.433 1.808 516 HB2 LYS 89 HB2 LYS 89 4.444 9.848 0.258 517 HB3 LYS 89 HB3 LYS 89 3.868 10.444 1.811 518 HG2 LYS 89 HG2 LYS 89 4.375 8.112 2.738 519 HG3 LYS 89 HG3 LYS 89 5.237 7.813 1.228 520 HD2 LYS 89 HD2 LYS 89 6.769 8.511 3.011 521 HD3 LYS 89 HD3 LYS 89 6.752 9.698 1.704 522 HE2 LYS 89 HE2 LYS 89 6.734 10.746 3.976 523 HE3 LYS 89 HE3 LYS 89 5.320 11.184 3.019 524 HZ1 LYS 89 HZ1 LYS 89 4.031 9.536 4.235 525 HZ2 LYS 89 HZ2 LYS 89 4.740 10.638 5.299 526 HZ3 LYS 89 HZ3 LYS 89 5.397 9.095 5.129 527 H LYS 90 H LYS 90 1.113 10.177 2.538 528 HA LYS 90 HA LYS 90 -0.690 11.429 0.672 529 HB2 LYS 90 HB2 LYS 90 -1.040 10.655 3.235 530 HB3 LYS 90 HB3 LYS 90 -0.532 12.298 3.576 531 HG2 LYS 90 HG2 LYS 90 -2.919 11.497 1.876 532 HG3 LYS 90 HG3 LYS 90 -2.991 12.046 3.542 533 HD2 LYS 90 HD2 LYS 90 -1.942 13.758 1.266 534 HD3 LYS 90 HD3 LYS 90 -3.631 13.745 1.761 535 HE2 LYS 90 HE2 LYS 90 -2.570 15.648 2.788 536 HE3 LYS 90 HE3 LYS 90 -2.902 14.469 4.052 537 HZ1 LYS 90 HZ1 LYS 90 -0.604 13.840 4.067 538 HZ2 LYS 90 HZ2 LYS 90 -0.703 15.515 4.221 539 HZ3 LYS 90 HZ3 LYS 90 -0.264 14.834 2.745 540 H LYS 91 H LYS 91 -0.057 13.106 -0.489 541 HA LYS 91 HA LYS 91 2.190 14.688 -0.313 542 HB2 LYS 91 HB2 LYS 91 -0.542 15.217 -1.540 543 HB3 LYS 91 HB3 LYS 91 0.809 16.327 -1.754 544 HG2 LYS 91 HG2 LYS 91 2.107 14.646 -2.885 545 HG3 LYS 91 HG3 LYS 91 0.920 13.400 -2.522 546 HD2 LYS 91 HD2 LYS 91 0.876 14.164 -4.886 547 HD3 LYS 91 HD3 LYS 91 -0.669 14.371 -4.066 548 HE2 LYS 91 HE2 LYS 91 1.288 16.667 -4.318 549 HE3 LYS 91 HE3 LYS 91 0.171 16.277 -5.620 550 HZ1 LYS 91 HZ1 LYS 91 -0.778 17.977 -4.283 551 HZ2 LYS 91 HZ2 LYS 91 -0.528 17.109 -2.858 552 HZ3 LYS 91 HZ3 LYS 91 -1.666 16.563 -3.991 553 H LEU 92 H LEU 92 2.740 15.645 1.562 554 HA LEU 92 HA LEU 92 1.035 16.838 3.455 555 HB2 LEU 92 HB2 LEU 92 4.004 17.313 2.956 556 HB3 LEU 92 HB3 LEU 92 3.131 17.852 4.383 557 HG LEU 92 HG LEU 92 3.608 14.957 3.581 558 HD11 LEU 92 HD11 LEU 92 5.639 16.023 4.420 559 HD12 LEU 92 HD12 LEU 92 5.037 14.826 5.564 560 HD13 LEU 92 HD13 LEU 92 4.786 16.547 5.876 561 HD21 LEU 92 HD21 LEU 92 2.600 14.360 5.762 562 HD22 LEU 92 HD22 LEU 92 1.443 15.144 4.691 563 HD23 LEU 92 HD23 LEU 92 2.166 16.055 6.020 564 H GLU 93 H GLU 93 0.022 18.730 3.433 565 HA GLU 93 HA GLU 93 0.860 21.051 1.946 566 HB2 GLU 93 HB2 GLU 93 -0.054 19.554 0.146 567 HB3 GLU 93 HB3 GLU 93 -1.591 19.485 1.000 568 HG2 GLU 93 HG2 GLU 93 -1.954 21.864 0.611 569 HG3 GLU 93 HG3 GLU 93 -0.354 22.019 -0.107 570 H HIS 94 H HIS 94 -0.323 22.869 2.573 571 HA HIS 94 HA HIS 94 -1.995 22.773 4.890 572 HB2 HIS 94 HB2 HIS 94 -1.513 25.054 2.925 573 HB3 HIS 94 HB3 HIS 94 -2.368 25.208 4.457 574 HD1 HIS 94 HD1 HIS 94 -0.758 24.385 6.605 575 HD2 HIS 94 HD2 HIS 94 1.111 25.729 3.143 576 HE1 HIS 94 HE1 HIS 94 1.560 25.063 7.304 577 HE2 HIS 94 HE2 HIS 94 2.692 25.828 5.191 578 H HIS 95 H HIS 95 -3.552 21.242 4.256 579 HA HIS 95 HA HIS 95 -5.096 21.493 1.828 580 HB2 HIS 95 HB2 HIS 95 -4.258 19.334 3.176 581 HB3 HIS 95 HB3 HIS 95 -5.766 19.540 4.056 582 HD1 HIS 95 HD1 HIS 95 -7.525 18.033 3.097 583 HD2 HIS 95 HD2 HIS 95 -4.880 19.390 0.191 584 HE1 HIS 95 HE1 HIS 95 -8.238 16.929 0.955 585 HE2 HIS 95 HE2 HIS 95 -6.466 17.574 -0.711 586 H HIS 96 H HIS 96 -5.786 21.549 5.310 587 HA HIS 96 HA HIS 96 -7.781 23.678 4.910 588 HB2 HIS 96 HB2 HIS 96 -8.151 21.147 6.557 589 HB3 HIS 96 HB3 HIS 96 -9.015 22.622 6.970 590 HD1 HIS 96 HD1 HIS 96 -11.087 23.162 5.635 591 HD2 HIS 96 HD2 HIS 96 -8.939 19.984 4.037 592 HE1 HIS 96 HE1 HIS 96 -12.565 22.170 3.861 593 HE2 HIS 96 HE2 HIS 96 -11.333 20.117 3.085 594 H HIS 97 H HIS 97 -7.444 25.369 6.240 595 HA HIS 97 HA HIS 97 -5.143 25.281 8.079 596 HB2 HIS 97 HB2 HIS 97 -5.388 27.844 8.012 597 HB3 HIS 97 HB3 HIS 97 -4.913 27.054 6.517 598 HD1 HIS 97 HD1 HIS 97 -6.267 27.592 4.499 599 HD2 HIS 97 HD2 HIS 97 -8.248 28.634 8.005 600 HE1 HIS 97 HE1 HIS 97 -8.334 28.819 3.770 601 HE2 HIS 97 HE2 HIS 97 -9.502 29.468 5.902 602 H HIS 98 H HIS 98 -8.563 25.375 8.226 603 HA HIS 98 HA HIS 98 -8.537 26.081 11.101 604 HB2 HIS 98 HB2 HIS 98 -9.303 28.012 9.623 605 HB3 HIS 98 HB3 HIS 98 -10.669 27.023 9.125 606 HD1 HIS 98 HD1 HIS 98 -12.718 27.718 10.358 607 HD2 HIS 98 HD2 HIS 98 -9.312 28.072 12.718 608 HE1 HIS 98 HE1 HIS 98 -13.522 28.569 12.585 609 HE2 HIS 98 HE2 HIS 98 -11.455 28.662 14.031 610 H HIS 99 H HIS 99 -8.682 23.560 9.420 611 HA HIS 99 HA HIS 99 -9.743 21.582 9.224 612 HB2 HIS 99 HB2 HIS 99 -11.100 22.391 11.846 613 HB3 HIS 99 HB3 HIS 99 -11.036 20.762 11.186 614 HD1 HIS 99 HD1 HIS 99 -9.009 23.282 13.027 615 HD2 HIS 99 HD2 HIS 99 -8.534 19.445 11.487 616 HE1 HIS 99 HE1 HIS 99 -6.882 22.407 14.040 617 HE2 HIS 99 HE2 HIS 99 -6.751 20.019 13.269 Start of MODEL 15 1 H1 ALA 22 H1 ALA 22 0.287 2.990 8.752 2 H2 ALA 22 H2 ALA 22 -0.462 4.249 7.913 3 H3 ALA 22 H3 ALA 22 1.219 4.087 7.863 4 HA ALA 22 HA ALA 22 0.163 3.339 5.827 5 HB1 ALA 22 HB1 ALA 22 2.325 2.390 6.536 6 HB2 ALA 22 HB2 ALA 22 1.356 1.184 5.689 7 HB3 ALA 22 HB3 ALA 22 1.485 1.133 7.449 8 H GLU 23 H GLU 23 -2.016 3.100 5.472 9 HA GLU 23 HA GLU 23 -3.518 0.907 6.806 10 HB2 GLU 23 HB2 GLU 23 -5.540 2.127 6.158 11 HB3 GLU 23 HB3 GLU 23 -4.447 3.214 7.008 12 HG2 GLU 23 HG2 GLU 23 -3.690 4.086 4.766 13 HG3 GLU 23 HG3 GLU 23 -4.951 3.106 4.019 14 H ILE 24 H ILE 24 -4.735 -0.562 5.510 15 HA ILE 24 HA ILE 24 -3.724 -1.014 2.806 16 HB ILE 24 HB ILE 24 -5.723 -2.599 4.494 17 HG12 ILE 24 HG12 ILE 24 -3.365 -2.684 5.317 18 HG13 ILE 24 HG13 ILE 24 -3.920 -4.250 4.745 19 HG21 ILE 24 HG21 ILE 24 -4.563 -3.306 1.764 20 HG22 ILE 24 HG22 ILE 24 -6.247 -2.919 2.116 21 HG23 ILE 24 HG23 ILE 24 -5.529 -4.387 2.773 22 HD11 ILE 24 HD11 ILE 24 -2.135 -2.367 3.207 23 HD12 ILE 24 HD12 ILE 24 -2.654 -3.972 2.692 24 HD13 ILE 24 HD13 ILE 24 -1.616 -3.792 4.104 25 H MET 25 H MET 25 -4.653 -0.128 1.104 26 HA MET 25 HA MET 25 -7.604 0.072 0.943 27 HB2 MET 25 HB2 MET 25 -5.574 2.005 -0.271 28 HB3 MET 25 HB3 MET 25 -7.292 2.004 -0.641 29 HG2 MET 25 HG2 MET 25 -7.773 2.516 1.747 30 HG3 MET 25 HG3 MET 25 -6.038 2.603 2.048 31 HE1 MET 25 HE1 MET 25 -8.262 5.536 -0.771 32 HE2 MET 25 HE2 MET 25 -9.093 4.268 0.128 33 HE3 MET 25 HE3 MET 25 -7.978 3.842 -1.173 34 H LYS 26 H LYS 26 -8.480 -0.745 -0.906 35 HA LYS 26 HA LYS 26 -6.909 -2.459 -2.615 36 HB2 LYS 26 HB2 LYS 26 -9.574 -2.389 -1.783 37 HB3 LYS 26 HB3 LYS 26 -9.719 -1.826 -3.435 38 HG2 LYS 26 HG2 LYS 26 -8.357 -4.425 -2.659 39 HG3 LYS 26 HG3 LYS 26 -10.066 -4.296 -3.069 40 HD2 LYS 26 HD2 LYS 26 -9.395 -3.399 -5.327 41 HD3 LYS 26 HD3 LYS 26 -7.708 -3.717 -4.907 42 HE2 LYS 26 HE2 LYS 26 -8.183 -6.112 -4.708 43 HE3 LYS 26 HE3 LYS 26 -9.898 -5.819 -4.987 44 HZ1 LYS 26 HZ1 LYS 26 -9.381 -5.075 -7.212 45 HZ2 LYS 26 HZ2 LYS 26 -8.782 -6.639 -6.953 46 HZ3 LYS 26 HZ3 LYS 26 -7.733 -5.318 -6.945 47 H LYS 27 H LYS 27 -6.687 -2.195 -4.911 48 HA LYS 27 HA LYS 27 -5.564 0.161 -5.761 49 HB2 LYS 27 HB2 LYS 27 -5.289 -2.130 -6.778 50 HB3 LYS 27 HB3 LYS 27 -6.851 -1.938 -7.553 51 HG2 LYS 27 HG2 LYS 27 -5.205 -1.493 -9.213 52 HG3 LYS 27 HG3 LYS 27 -5.892 0.072 -8.775 53 HD2 LYS 27 HD2 LYS 27 -3.934 0.553 -7.347 54 HD3 LYS 27 HD3 LYS 27 -3.262 -1.040 -7.705 55 HE2 LYS 27 HE2 LYS 27 -3.077 -0.406 -10.095 56 HE3 LYS 27 HE3 LYS 27 -3.718 1.194 -9.716 57 HZ1 LYS 27 HZ1 LYS 27 -1.803 1.547 -8.268 58 HZ2 LYS 27 HZ2 LYS 27 -1.334 1.240 -9.862 59 HZ3 LYS 27 HZ3 LYS 27 -1.185 0.030 -8.688 60 H THR 28 H THR 28 -8.904 -0.941 -6.362 61 HA THR 28 HA THR 28 -9.648 1.157 -8.145 62 HB THR 28 HB THR 28 -10.801 -0.986 -8.248 63 HG1 THR 28 HG1 THR 28 -11.946 1.262 -8.465 64 HG21 THR 28 HG21 THR 28 -12.424 -1.726 -6.528 65 HG22 THR 28 HG22 THR 28 -11.942 -0.383 -5.490 66 HG23 THR 28 HG23 THR 28 -10.785 -1.659 -5.874 67 H ASP 29 H ASP 29 -9.994 0.751 -4.641 68 HA ASP 29 HA ASP 29 -11.690 3.025 -4.186 69 HB2 ASP 29 HB2 ASP 29 -9.902 1.461 -2.266 70 HB3 ASP 29 HB3 ASP 29 -11.041 2.714 -1.766 71 H PHE 30 H PHE 30 -8.234 2.402 -4.079 72 HA PHE 30 HA PHE 30 -7.434 4.931 -3.060 73 HB2 PHE 30 HB2 PHE 30 -5.897 3.056 -2.876 74 HB3 PHE 30 HB3 PHE 30 -5.892 2.815 -4.625 75 HD1 PHE 30 HD1 PHE 30 -4.984 5.298 -1.974 76 HD2 PHE 30 HD2 PHE 30 -4.297 3.971 -5.987 77 HE1 PHE 30 HE1 PHE 30 -3.172 6.919 -2.219 78 HE2 PHE 30 HE2 PHE 30 -2.478 5.603 -6.206 79 HZ PHE 30 HZ PHE 30 -1.926 7.075 -4.322 80 H ASP 31 H ASP 31 -7.841 3.638 -6.323 81 HA ASP 31 HA ASP 31 -6.520 5.436 -7.914 82 HB2 ASP 31 HB2 ASP 31 -7.680 3.349 -8.657 83 HB3 ASP 31 HB3 ASP 31 -9.227 4.164 -8.480 84 H LYS 32 H LYS 32 -9.736 5.787 -6.532 85 HA LYS 32 HA LYS 32 -10.694 8.085 -7.816 86 HB2 LYS 32 HB2 LYS 32 -11.268 7.238 -4.946 87 HB3 LYS 32 HB3 LYS 32 -12.294 8.238 -5.970 88 HG2 LYS 32 HG2 LYS 32 -12.615 6.289 -7.493 89 HG3 LYS 32 HG3 LYS 32 -11.653 5.302 -6.390 90 HD2 LYS 32 HD2 LYS 32 -13.326 5.714 -4.592 91 HD3 LYS 32 HD3 LYS 32 -14.291 6.669 -5.722 92 HE2 LYS 32 HE2 LYS 32 -13.657 3.704 -5.955 93 HE3 LYS 32 HE3 LYS 32 -15.216 4.414 -5.537 94 HZ1 LYS 32 HZ1 LYS 32 -15.263 5.449 -7.744 95 HZ2 LYS 32 HZ2 LYS 32 -15.191 3.763 -7.836 96 HZ3 LYS 32 HZ3 LYS 32 -13.806 4.681 -8.139 97 H VAL 33 H VAL 33 -8.570 7.771 -5.006 98 HA VAL 33 HA VAL 33 -8.417 10.722 -4.692 99 HB VAL 33 HB VAL 33 -7.605 10.285 -2.358 100 HG11 VAL 33 HG11 VAL 33 -10.308 9.030 -2.976 101 HG12 VAL 33 HG12 VAL 33 -9.995 10.745 -2.703 102 HG13 VAL 33 HG13 VAL 33 -9.780 9.592 -1.387 103 HG21 VAL 33 HG21 VAL 33 -7.842 8.019 -1.355 104 HG22 VAL 33 HG22 VAL 33 -6.641 8.029 -2.647 105 HG23 VAL 33 HG23 VAL 33 -8.247 7.359 -2.941 106 H ALA 34 H ALA 34 -6.840 8.700 -6.514 107 HA ALA 34 HA ALA 34 -4.273 8.226 -5.548 108 HB1 ALA 34 HB1 ALA 34 -5.193 7.202 -7.579 109 HB2 ALA 34 HB2 ALA 34 -3.597 7.890 -7.878 110 HB3 ALA 34 HB3 ALA 34 -5.045 8.739 -8.429 111 H SER 35 H SER 35 -5.458 11.160 -7.126 112 HA SER 35 HA SER 35 -2.993 12.401 -7.712 113 HB2 SER 35 HB2 SER 35 -5.705 13.696 -7.211 114 HB3 SER 35 HB3 SER 35 -4.331 14.466 -8.016 115 HG SER 35 HG SER 35 -6.097 12.535 -8.945 116 H GLU 36 H GLU 36 -4.722 12.123 -4.698 117 HA GLU 36 HA GLU 36 -3.494 14.407 -3.390 118 HB2 GLU 36 HB2 GLU 36 -4.994 12.040 -2.196 119 HB3 GLU 36 HB3 GLU 36 -4.615 13.544 -1.360 120 HG2 GLU 36 HG2 GLU 36 -6.493 13.198 -3.714 121 HG3 GLU 36 HG3 GLU 36 -6.954 13.495 -2.041 122 H TYR 37 H TYR 37 -2.329 11.351 -4.270 123 HA TYR 37 HA TYR 37 -0.373 11.257 -2.033 124 HB2 TYR 37 HB2 TYR 37 -1.696 8.900 -3.452 125 HB3 TYR 37 HB3 TYR 37 -0.430 8.772 -2.231 126 HD1 TYR 37 HD2 TYR 37 -4.004 9.600 -2.800 127 HD2 TYR 37 HD1 TYR 37 -0.953 9.096 0.144 128 HE1 TYR 37 HE2 TYR 37 -5.702 9.611 -1.037 129 HE2 TYR 37 HE1 TYR 37 -2.653 9.133 1.903 130 HH TYR 37 HH TYR 37 -5.941 8.754 1.298 131 H THR 38 H THR 38 1.614 10.131 -2.583 132 HA THR 38 HA THR 38 2.456 10.284 -5.409 133 HB THR 38 HB THR 38 3.650 11.748 -3.025 134 HG1 THR 38 HG1 THR 38 3.550 12.928 -5.511 135 HG21 THR 38 HG21 THR 38 5.644 12.310 -4.377 136 HG22 THR 38 HG22 THR 38 5.095 11.227 -5.657 137 HG23 THR 38 HG23 THR 38 5.564 10.572 -4.088 138 H LYS 39 H LYS 39 3.330 8.358 -5.942 139 HA LYS 39 HA LYS 39 3.793 6.282 -4.068 140 HB2 LYS 39 HB2 LYS 39 3.075 5.897 -6.423 141 HB3 LYS 39 HB3 LYS 39 4.657 6.406 -6.992 142 HG2 LYS 39 HG2 LYS 39 5.712 4.488 -5.935 143 HG3 LYS 39 HG3 LYS 39 4.196 4.034 -5.154 144 HD2 LYS 39 HD2 LYS 39 3.188 3.519 -7.344 145 HD3 LYS 39 HD3 LYS 39 4.662 4.042 -8.168 146 HE2 LYS 39 HE2 LYS 39 5.926 2.223 -7.096 147 HE3 LYS 39 HE3 LYS 39 4.487 1.727 -6.204 148 HZ1 LYS 39 HZ1 LYS 39 3.433 1.154 -8.268 149 HZ2 LYS 39 HZ2 LYS 39 4.907 0.345 -8.121 150 HZ3 LYS 39 HZ3 LYS 39 4.771 1.680 -9.151 151 H ILE 40 H ILE 40 5.553 5.734 -2.980 152 HA ILE 40 HA ILE 40 8.123 7.070 -3.615 153 HB ILE 40 HB ILE 40 8.691 6.772 -1.179 154 HG12 ILE 40 HG12 ILE 40 5.737 6.019 -0.910 155 HG13 ILE 40 HG13 ILE 40 7.105 4.968 -0.563 156 HG21 ILE 40 HG21 ILE 40 7.928 8.935 -2.059 157 HG22 ILE 40 HG22 ILE 40 7.337 8.705 -0.416 158 HG23 ILE 40 HG23 ILE 40 6.243 8.483 -1.784 159 HD11 ILE 40 HD11 ILE 40 7.736 6.461 1.309 160 HD12 ILE 40 HD12 ILE 40 6.118 5.786 1.481 161 HD13 ILE 40 HD13 ILE 40 6.315 7.464 0.967 162 H GLY 41 H GLY 41 6.601 4.147 -3.863 163 HA2 GLY 41 HA2 GLY 41 8.634 2.781 -5.042 164 HA3 GLY 41 HA3 GLY 41 8.836 2.378 -3.338 165 H THR 42 H THR 42 8.419 0.221 -4.692 166 HA THR 42 HA THR 42 5.602 -0.493 -4.018 167 HB THR 42 HB THR 42 7.414 -2.079 -5.916 168 HG1 THR 42 HG1 THR 42 6.870 -0.018 -6.801 169 HG21 THR 42 HG21 THR 42 5.570 -3.380 -4.846 170 HG22 THR 42 HG22 THR 42 5.327 -3.211 -6.583 171 HG23 THR 42 HG23 THR 42 4.398 -2.212 -5.465 172 H ILE 43 H ILE 43 5.371 -2.014 -2.437 173 HA ILE 43 HA ILE 43 7.732 -3.562 -1.510 174 HB ILE 43 HB ILE 43 6.489 -3.944 0.613 175 HG12 ILE 43 HG12 ILE 43 4.433 -1.988 -0.526 176 HG13 ILE 43 HG13 ILE 43 4.174 -3.711 -0.283 177 HG21 ILE 43 HG21 ILE 43 8.104 -2.091 0.493 178 HG22 ILE 43 HG22 ILE 43 6.774 -1.686 1.576 179 HG23 ILE 43 HG23 ILE 43 6.832 -0.991 -0.045 180 HD11 ILE 43 HD11 ILE 43 4.444 -3.376 2.136 181 HD12 ILE 43 HD12 ILE 43 3.109 -2.459 1.442 182 HD13 ILE 43 HD13 ILE 43 4.616 -1.642 1.848 183 H SER 44 H SER 44 7.049 -5.759 -0.624 184 HA SER 44 HA SER 44 4.854 -7.121 -1.902 185 HB2 SER 44 HB2 SER 44 6.469 -6.864 -3.808 186 HB3 SER 44 HB3 SER 44 7.704 -7.690 -2.862 187 HG SER 44 HG SER 44 6.713 -9.131 -4.259 188 H THR 45 H THR 45 4.529 -9.141 -0.971 189 HA THR 45 HA THR 45 5.761 -9.728 1.539 190 HB THR 45 HB THR 45 4.309 -11.815 1.416 191 HG1 THR 45 HG1 THR 45 3.311 -12.301 -0.403 192 HG21 THR 45 HG21 THR 45 3.398 -9.770 2.440 193 HG22 THR 45 HG22 THR 45 2.143 -10.632 1.553 194 HG23 THR 45 HG23 THR 45 2.878 -9.190 0.855 195 H THR 46 H THR 46 7.242 -11.388 2.054 196 HA THR 46 HA THR 46 8.903 -12.456 -0.050 197 HB THR 46 HB THR 46 8.932 -13.300 2.888 198 HG1 THR 46 HG1 THR 46 10.054 -11.023 1.598 199 HG21 THR 46 HG21 THR 46 10.306 -14.712 1.366 200 HG22 THR 46 HG22 THR 46 11.322 -13.782 2.473 201 HG23 THR 46 HG23 THR 46 11.147 -13.279 0.788 202 H GLY 47 H GLY 47 7.646 -13.738 -1.350 203 HA2 GLY 47 HA2 GLY 47 6.884 -15.846 -2.031 204 HA3 GLY 47 HA3 GLY 47 6.695 -16.329 -0.349 205 H GLU 48 H GLU 48 4.711 -16.970 -2.006 206 HA GLU 48 HA GLU 48 2.538 -15.026 -1.910 207 HB2 GLU 48 HB2 GLU 48 2.488 -17.967 -2.719 208 HB3 GLU 48 HB3 GLU 48 1.243 -16.764 -3.052 209 HG2 GLU 48 HG2 GLU 48 2.756 -15.555 -4.535 210 HG3 GLU 48 HG3 GLU 48 4.067 -16.668 -4.145 211 H MET 49 H MET 49 0.921 -15.026 -0.394 212 HA MET 49 HA MET 49 0.781 -17.112 1.663 213 HB2 MET 49 HB2 MET 49 0.906 -15.366 3.479 214 HB3 MET 49 HB3 MET 49 2.410 -15.608 2.613 215 HG2 MET 49 HG2 MET 49 1.954 -13.555 1.290 216 HG3 MET 49 HG3 MET 49 0.492 -13.297 2.246 217 HE1 MET 49 HE1 MET 49 4.434 -13.594 2.384 218 HE2 MET 49 HE2 MET 49 3.933 -14.722 3.648 219 HE3 MET 49 HE3 MET 49 4.752 -13.224 4.080 220 H SER 50 H SER 50 -0.995 -16.474 3.294 221 HA SER 50 HA SER 50 -3.508 -16.266 2.062 222 HB2 SER 50 HB2 SER 50 -2.751 -15.691 4.968 223 HB3 SER 50 HB3 SER 50 -4.365 -16.098 4.377 224 HG SER 50 HG SER 50 -3.811 -18.132 4.237 225 HA PRO 51 HA PRO 51 -3.496 -11.956 0.924 226 HB2 PRO 51 HB2 PRO 51 -6.255 -11.435 0.897 227 HB3 PRO 51 HB3 PRO 51 -5.362 -12.243 -0.407 228 HG2 PRO 51 HG2 PRO 51 -6.948 -13.463 1.828 229 HG3 PRO 51 HG3 PRO 51 -6.908 -13.901 0.101 230 HD2 PRO 51 HD2 PRO 51 -5.552 -15.362 1.880 231 HD3 PRO 51 HD3 PRO 51 -4.842 -15.005 0.292 232 H LEU 52 H LEU 52 -5.509 -12.758 3.755 233 HA LEU 52 HA LEU 52 -5.643 -10.073 4.767 234 HB2 LEU 52 HB2 LEU 52 -6.311 -12.794 5.902 235 HB3 LEU 52 HB3 LEU 52 -6.289 -11.401 6.962 236 HG LEU 52 HG LEU 52 -8.576 -11.925 6.242 237 HD11 LEU 52 HD11 LEU 52 -8.025 -9.603 6.733 238 HD12 LEU 52 HD12 LEU 52 -9.267 -9.714 5.488 239 HD13 LEU 52 HD13 LEU 52 -7.603 -9.324 5.041 240 HD21 LEU 52 HD21 LEU 52 -9.321 -11.687 3.924 241 HD22 LEU 52 HD22 LEU 52 -8.106 -12.955 4.059 242 HD23 LEU 52 HD23 LEU 52 -7.664 -11.379 3.398 243 H ASP 53 H ASP 53 -3.555 -12.860 5.362 244 HA ASP 53 HA ASP 53 -1.921 -11.732 7.416 245 HB2 ASP 53 HB2 ASP 53 -2.039 -14.150 7.103 246 HB3 ASP 53 HB3 ASP 53 -1.460 -14.020 5.449 247 H ALA 54 H ALA 54 -1.818 -11.719 3.916 248 HA ALA 54 HA ALA 54 0.753 -10.664 3.458 249 HB1 ALA 54 HB1 ALA 54 -1.745 -10.396 1.734 250 HB2 ALA 54 HB2 ALA 54 -0.603 -11.735 1.681 251 HB3 ALA 54 HB3 ALA 54 -0.085 -10.121 1.195 252 H ARG 55 H ARG 55 -2.437 -9.153 3.795 253 HA ARG 55 HA ARG 55 -1.874 -6.475 3.398 254 HB2 ARG 55 HB2 ARG 55 -3.861 -7.813 5.268 255 HB3 ARG 55 HB3 ARG 55 -3.823 -6.069 5.032 256 HG2 ARG 55 HG2 ARG 55 -4.330 -6.355 2.643 257 HG3 ARG 55 HG3 ARG 55 -4.315 -8.110 2.837 258 HD2 ARG 55 HD2 ARG 55 -6.622 -7.170 2.794 259 HD3 ARG 55 HD3 ARG 55 -6.264 -8.004 4.312 260 HE ARG 55 HE ARG 55 -5.622 -5.399 4.832 261 HH11 ARG 55 HH11 ARG 55 -8.576 -6.942 3.748 262 HH12 ARG 55 HH12 ARG 55 -9.592 -5.737 4.472 263 HH21 ARG 55 HH21 ARG 55 -6.957 -3.841 5.747 264 HH22 ARG 55 HH22 ARG 55 -8.684 -3.981 5.599 265 H GLU 56 H GLU 56 -1.589 -8.316 6.432 266 HA GLU 56 HA GLU 56 -0.864 -6.180 8.150 267 HB2 GLU 56 HB2 GLU 56 -0.134 -9.132 8.422 268 HB3 GLU 56 HB3 GLU 56 -0.189 -7.951 9.726 269 HG2 GLU 56 HG2 GLU 56 -2.539 -9.018 8.135 270 HG3 GLU 56 HG3 GLU 56 -2.164 -9.366 9.820 271 H ASP 57 H ASP 57 1.050 -8.527 6.338 272 HA ASP 57 HA ASP 57 3.650 -7.797 7.101 273 HB2 ASP 57 HB2 ASP 57 3.082 -9.870 5.851 274 HB3 ASP 57 HB3 ASP 57 2.663 -8.913 4.435 275 H LEU 58 H LEU 58 1.538 -6.619 4.559 276 HA LEU 58 HA LEU 58 3.386 -4.842 3.306 277 HB2 LEU 58 HB2 LEU 58 0.358 -5.076 3.158 278 HB3 LEU 58 HB3 LEU 58 1.312 -4.028 2.121 279 HG LEU 58 HG LEU 58 1.568 -7.059 2.207 280 HD11 LEU 58 HD11 LEU 58 0.477 -7.089 0.018 281 HD12 LEU 58 HD12 LEU 58 0.187 -5.352 0.127 282 HD13 LEU 58 HD13 LEU 58 -0.588 -6.452 1.270 283 HD21 LEU 58 HD21 LEU 58 2.954 -6.845 0.199 284 HD22 LEU 58 HD22 LEU 58 3.674 -5.978 1.551 285 HD23 LEU 58 HD23 LEU 58 2.834 -5.085 0.282 286 H ILE 59 H ILE 59 0.939 -4.436 5.878 287 HA ILE 59 HA ILE 59 1.077 -1.602 6.127 288 HB ILE 59 HB ILE 59 0.484 -3.733 8.239 289 HG12 ILE 59 HG12 ILE 59 -1.412 -1.854 6.752 290 HG13 ILE 59 HG13 ILE 59 -1.153 -3.546 6.345 291 HG21 ILE 59 HG21 ILE 59 0.127 -0.717 8.533 292 HG22 ILE 59 HG22 ILE 59 1.275 -1.721 9.416 293 HG23 ILE 59 HG23 ILE 59 -0.453 -1.931 9.678 294 HD11 ILE 59 HD11 ILE 59 -3.207 -3.265 7.569 295 HD12 ILE 59 HD12 ILE 59 -2.353 -2.491 8.901 296 HD13 ILE 59 HD13 ILE 59 -2.062 -4.195 8.536 297 H LYS 60 H LYS 60 2.898 -4.226 7.714 298 HA LYS 60 HA LYS 60 4.535 -2.643 9.373 299 HB2 LYS 60 HB2 LYS 60 4.209 -5.095 9.644 300 HB3 LYS 60 HB3 LYS 60 5.138 -5.386 8.178 301 HG2 LYS 60 HG2 LYS 60 7.136 -4.400 9.254 302 HG3 LYS 60 HG3 LYS 60 6.203 -4.113 10.724 303 HD2 LYS 60 HD2 LYS 60 5.906 -6.535 11.035 304 HD3 LYS 60 HD3 LYS 60 6.750 -6.854 9.515 305 HE2 LYS 60 HE2 LYS 60 8.813 -5.854 10.455 306 HE3 LYS 60 HE3 LYS 60 7.972 -5.542 11.974 307 HZ1 LYS 60 HZ1 LYS 60 9.313 -7.539 12.071 308 HZ2 LYS 60 HZ2 LYS 60 8.453 -8.212 10.781 309 HZ3 LYS 60 HZ3 LYS 60 7.674 -7.916 12.250 310 H LYS 61 H LYS 61 5.236 -4.049 6.156 311 HA LYS 61 HA LYS 61 7.818 -3.011 5.796 312 HB2 LYS 61 HB2 LYS 61 5.689 -3.939 3.849 313 HB3 LYS 61 HB3 LYS 61 7.212 -3.282 3.257 314 HG2 LYS 61 HG2 LYS 61 8.450 -5.022 4.489 315 HG3 LYS 61 HG3 LYS 61 6.928 -5.681 5.093 316 HD2 LYS 61 HD2 LYS 61 6.255 -6.382 2.889 317 HD3 LYS 61 HD3 LYS 61 7.564 -5.475 2.124 318 HE2 LYS 61 HE2 LYS 61 8.028 -7.910 2.190 319 HE3 LYS 61 HE3 LYS 61 9.227 -6.988 3.089 320 HZ1 LYS 61 HZ1 LYS 61 8.553 -8.975 4.272 321 HZ2 LYS 61 HZ2 LYS 61 6.944 -8.467 4.267 322 HZ3 LYS 61 HZ3 LYS 61 8.096 -7.593 5.135 323 H ALA 62 H ALA 62 4.676 -1.678 4.717 324 HA ALA 62 HA ALA 62 5.725 0.660 3.494 325 HB1 ALA 62 HB1 ALA 62 3.473 -0.197 3.007 326 HB2 ALA 62 HB2 ALA 62 3.413 1.492 3.515 327 HB3 ALA 62 HB3 ALA 62 2.949 0.213 4.640 328 H ASP 63 H ASP 63 4.885 -0.051 6.861 329 HA ASP 63 HA ASP 63 4.947 2.647 7.797 330 HB2 ASP 63 HB2 ASP 63 3.916 0.789 9.098 331 HB3 ASP 63 HB3 ASP 63 5.515 0.091 9.357 332 H GLU 64 H GLU 64 7.422 0.039 7.755 333 HA GLU 64 HA GLU 64 9.642 1.544 8.578 334 HB2 GLU 64 HB2 GLU 64 9.338 -0.914 6.852 335 HB3 GLU 64 HB3 GLU 64 10.903 -0.115 6.865 336 HG2 GLU 64 HG2 GLU 64 11.045 -1.850 8.447 337 HG3 GLU 64 HG3 GLU 64 10.920 -0.366 9.376 338 H LYS 65 H LYS 65 8.090 1.350 5.425 339 HA LYS 65 HA LYS 65 10.045 3.011 4.061 340 HB2 LYS 65 HB2 LYS 65 7.285 2.060 3.210 341 HB3 LYS 65 HB3 LYS 65 8.445 2.860 2.156 342 HG2 LYS 65 HG2 LYS 65 8.839 0.157 3.481 343 HG3 LYS 65 HG3 LYS 65 8.389 0.423 1.798 344 HD2 LYS 65 HD2 LYS 65 10.565 1.556 1.402 345 HD3 LYS 65 HD3 LYS 65 11.015 1.282 3.087 346 HE2 LYS 65 HE2 LYS 65 10.900 -1.169 2.703 347 HE3 LYS 65 HE3 LYS 65 10.477 -0.877 1.017 348 HZ1 LYS 65 HZ1 LYS 65 12.610 0.219 0.723 349 HZ2 LYS 65 HZ2 LYS 65 12.805 -1.372 1.253 350 HZ3 LYS 65 HZ3 LYS 65 13.013 -0.090 2.336 351 H GLY 66 H GLY 66 7.492 3.747 6.193 352 HA2 GLY 66 HA2 GLY 66 6.615 5.751 6.894 353 HA3 GLY 66 HA3 GLY 66 7.799 6.564 5.889 354 H ALA 67 H ALA 67 5.338 4.338 4.735 355 HA ALA 67 HA ALA 67 4.166 6.383 2.989 356 HB1 ALA 67 HB1 ALA 67 3.174 4.470 1.793 357 HB2 ALA 67 HB2 ALA 67 3.838 3.365 3.002 358 HB3 ALA 67 HB3 ALA 67 4.922 4.287 1.961 359 H ASP 68 H ASP 68 1.952 6.766 2.902 360 HA ASP 68 HA ASP 68 0.532 6.465 5.438 361 HB2 ASP 68 HB2 ASP 68 -0.077 8.114 2.946 362 HB3 ASP 68 HB3 ASP 68 -1.051 8.131 4.417 363 H VAL 69 H VAL 69 0.029 5.685 1.980 364 HA VAL 69 HA VAL 69 -2.105 3.775 2.790 365 HB VAL 69 HB VAL 69 -1.856 5.303 0.148 366 HG11 VAL 69 HG11 VAL 69 -3.959 4.165 -0.550 367 HG12 VAL 69 HG12 VAL 69 -3.914 3.179 0.912 368 HG13 VAL 69 HG13 VAL 69 -2.653 3.004 -0.306 369 HG21 VAL 69 HG21 VAL 69 -2.811 6.641 1.998 370 HG22 VAL 69 HG22 VAL 69 -4.028 5.396 2.289 371 HG23 VAL 69 HG23 VAL 69 -4.032 6.298 0.771 372 H VAL 70 H VAL 70 -1.986 1.768 2.112 373 HA VAL 70 HA VAL 70 0.289 0.784 0.502 374 HB VAL 70 HB VAL 70 -1.447 -0.902 2.377 375 HG11 VAL 70 HG11 VAL 70 1.347 -1.341 1.258 376 HG12 VAL 70 HG12 VAL 70 -0.135 -2.143 0.730 377 HG13 VAL 70 HG13 VAL 70 0.493 -2.433 2.350 378 HG21 VAL 70 HG21 VAL 70 -0.495 0.837 3.810 379 HG22 VAL 70 HG22 VAL 70 1.118 0.513 3.179 380 HG23 VAL 70 HG23 VAL 70 0.286 -0.714 4.137 381 H VAL 71 H VAL 71 -0.449 0.435 -1.520 382 HA VAL 71 HA VAL 71 -3.334 0.145 -2.040 383 HB VAL 71 HB VAL 71 -1.101 0.850 -4.003 384 HG11 VAL 71 HG11 VAL 71 -3.109 -0.012 -5.126 385 HG12 VAL 71 HG12 VAL 71 -2.941 1.715 -5.435 386 HG13 VAL 71 HG13 VAL 71 -4.124 1.143 -4.258 387 HG21 VAL 71 HG21 VAL 71 -1.807 3.206 -3.755 388 HG22 VAL 71 HG22 VAL 71 -1.196 2.547 -2.238 389 HG23 VAL 71 HG23 VAL 71 -2.935 2.736 -2.479 390 H LEU 72 H LEU 72 -3.892 -1.960 -2.122 391 HA LEU 72 HA LEU 72 -2.253 -4.154 -2.719 392 HB2 LEU 72 HB2 LEU 72 -5.274 -3.965 -3.024 393 HB3 LEU 72 HB3 LEU 72 -4.352 -5.458 -2.970 394 HG LEU 72 HG LEU 72 -4.661 -3.485 -0.674 395 HD11 LEU 72 HD11 LEU 72 -5.832 -6.259 -1.028 396 HD12 LEU 72 HD12 LEU 72 -6.717 -4.732 -1.105 397 HD13 LEU 72 HD13 LEU 72 -5.980 -5.244 0.411 398 HD21 LEU 72 HD21 LEU 72 -3.190 -6.149 -0.723 399 HD22 LEU 72 HD22 LEU 72 -3.495 -5.171 0.715 400 HD23 LEU 72 HD23 LEU 72 -2.452 -4.553 -0.562 401 H THR 73 H THR 73 -1.084 -4.053 -4.522 402 HA THR 73 HA THR 73 -2.108 -3.361 -7.116 403 HB THR 73 HB THR 73 0.533 -4.786 -6.569 404 HG1 THR 73 HG1 THR 73 -0.114 -2.032 -6.205 405 HG21 THR 73 HG21 THR 73 -0.266 -2.676 -8.601 406 HG22 THR 73 HG22 THR 73 -0.106 -4.400 -8.938 407 HG23 THR 73 HG23 THR 73 1.312 -3.452 -8.483 408 H SER 74 H SER 74 -0.951 -6.311 -5.519 409 HA SER 74 HA SER 74 -1.771 -8.161 -7.554 410 HB2 SER 74 HB2 SER 74 -1.244 -9.885 -5.824 411 HB3 SER 74 HB3 SER 74 0.056 -8.704 -5.978 412 HG SER 74 HG SER 74 -1.980 -8.695 -3.988 413 H GLY 75 H GLY 75 -3.436 -6.407 -5.163 414 HA2 GLY 75 HA2 GLY 75 -5.682 -6.307 -4.680 415 HA3 GLY 75 HA3 GLY 75 -5.947 -7.755 -5.646 416 H GLN 76 H GLN 76 -7.048 -9.010 -4.290 417 HA GLN 76 HA GLN 76 -5.787 -10.172 -1.981 418 HB2 GLN 76 HB2 GLN 76 -7.669 -9.591 -0.408 419 HB3 GLN 76 HB3 GLN 76 -6.692 -8.204 -0.867 420 HG2 GLN 76 HG2 GLN 76 -8.419 -7.513 -2.490 421 HG3 GLN 76 HG3 GLN 76 -9.401 -8.905 -2.035 422 HE21 GLN 76 HE21 GLN 76 -8.872 -8.700 0.826 423 HE22 GLN 76 HE22 GLN 76 -9.738 -7.316 1.382 424 H THR 77 H THR 77 -7.725 -11.576 -0.873 425 HA THR 77 HA THR 77 -8.960 -13.438 -0.971 426 HB THR 77 HB THR 77 -9.878 -12.510 -3.728 427 HG1 THR 77 HG1 THR 77 -10.833 -11.034 -2.558 428 HG21 THR 77 HG21 THR 77 -10.396 -14.905 -3.362 429 HG22 THR 77 HG22 THR 77 -11.871 -13.938 -3.316 430 HG23 THR 77 HG23 THR 77 -11.146 -14.510 -1.814 431 H GLU 78 H GLU 78 -8.488 -15.592 -1.417 432 HA GLU 78 HA GLU 78 -6.051 -16.166 -2.793 433 HB2 GLU 78 HB2 GLU 78 -8.130 -18.069 -1.641 434 HB3 GLU 78 HB3 GLU 78 -6.536 -18.544 -2.211 435 HG2 GLU 78 HG2 GLU 78 -5.489 -17.161 -0.466 436 HG3 GLU 78 HG3 GLU 78 -7.082 -16.681 0.120 437 H ASN 79 H ASN 79 -6.432 -15.461 -4.882 438 HA ASN 79 HA ASN 79 -7.700 -17.439 -6.670 439 HB2 ASN 79 HB2 ASN 79 -8.466 -15.507 -8.131 440 HB3 ASN 79 HB3 ASN 79 -9.309 -15.627 -6.596 441 HD21 ASN 79 HD21 ASN 79 -9.926 -13.533 -6.369 442 HD22 ASN 79 HD22 ASN 79 -8.839 -12.201 -6.215 443 H LYS 80 H LYS 80 -5.118 -17.328 -5.762 444 HA LYS 80 HA LYS 80 -2.971 -17.489 -6.346 445 HB2 LYS 80 HB2 LYS 80 -3.804 -18.446 -8.499 446 HB3 LYS 80 HB3 LYS 80 -3.848 -16.829 -9.188 447 HG2 LYS 80 HG2 LYS 80 -1.349 -16.699 -8.868 448 HG3 LYS 80 HG3 LYS 80 -1.377 -18.381 -8.327 449 HD2 LYS 80 HD2 LYS 80 -0.733 -18.244 -10.695 450 HD3 LYS 80 HD3 LYS 80 -2.279 -19.079 -10.527 451 HE2 LYS 80 HE2 LYS 80 -3.447 -16.942 -11.130 452 HE3 LYS 80 HE3 LYS 80 -1.875 -16.185 -11.384 453 HZ1 LYS 80 HZ1 LYS 80 -2.849 -16.911 -13.448 454 HZ2 LYS 80 HZ2 LYS 80 -2.959 -18.503 -12.884 455 HZ3 LYS 80 HZ3 LYS 80 -1.442 -17.796 -13.133 456 H ILE 81 H ILE 81 -3.512 -15.393 -4.987 457 HA ILE 81 HA ILE 81 -2.249 -13.042 -6.214 458 HB ILE 81 HB ILE 81 -2.754 -11.853 -4.053 459 HG12 ILE 81 HG12 ILE 81 -4.677 -13.026 -2.622 460 HG13 ILE 81 HG13 ILE 81 -4.000 -14.516 -3.253 461 HG21 ILE 81 HG21 ILE 81 -4.255 -11.657 -5.968 462 HG22 ILE 81 HG22 ILE 81 -5.158 -11.586 -4.454 463 HG23 ILE 81 HG23 ILE 81 -5.169 -13.065 -5.417 464 HD11 ILE 81 HD11 ILE 81 -2.531 -12.481 -1.587 465 HD12 ILE 81 HD12 ILE 81 -1.878 -14.012 -2.177 466 HD13 ILE 81 HD13 ILE 81 -3.208 -14.008 -1.019 467 H HIS 82 H HIS 82 -0.409 -12.048 -5.246 468 HA HIS 82 HA HIS 82 1.456 -13.915 -3.918 469 HB2 HIS 82 HB2 HIS 82 2.250 -12.829 -5.993 470 HB3 HIS 82 HB3 HIS 82 1.909 -11.237 -5.325 471 HD1 HIS 82 HD1 HIS 82 4.507 -13.883 -5.411 472 HD2 HIS 82 HD2 HIS 82 3.738 -10.391 -3.293 473 HE1 HIS 82 HE1 HIS 82 6.680 -13.268 -4.307 474 HE2 HIS 82 HE2 HIS 82 6.197 -11.146 -3.046 475 H GLY 83 H GLY 83 0.413 -10.510 -3.739 476 HA2 GLY 83 HA2 GLY 83 -0.188 -9.496 -1.591 477 HA3 GLY 83 HA3 GLY 83 1.132 -10.406 -0.854 478 H THR 84 H THR 84 0.931 -8.527 -3.861 479 HA THR 84 HA THR 84 3.276 -6.909 -3.083 480 HB THR 84 HB THR 84 2.004 -7.260 -5.843 481 HG1 THR 84 HG1 THR 84 4.297 -8.533 -4.701 482 HG21 THR 84 HG21 THR 84 3.361 -5.188 -5.648 483 HG22 THR 84 HG22 THR 84 4.135 -6.360 -6.712 484 HG23 THR 84 HG23 THR 84 4.733 -6.138 -5.067 485 H ALA 85 H ALA 85 3.087 -4.637 -3.015 486 HA ALA 85 HA ALA 85 0.528 -3.360 -3.662 487 HB1 ALA 85 HB1 ALA 85 1.671 -3.316 -0.848 488 HB2 ALA 85 HB2 ALA 85 0.226 -4.185 -1.364 489 HB3 ALA 85 HB3 ALA 85 0.253 -2.421 -1.408 490 H ASP 86 H ASP 86 0.744 -1.316 -4.307 491 HA ASP 86 HA ASP 86 3.323 -0.012 -4.527 492 HB2 ASP 86 HB2 ASP 86 0.545 1.127 -5.099 493 HB3 ASP 86 HB3 ASP 86 2.077 1.795 -5.649 494 H ILE 87 H ILE 87 4.153 1.476 -3.022 495 HA ILE 87 HA ILE 87 2.343 2.234 -0.794 496 HB ILE 87 HB ILE 87 4.411 2.907 0.442 497 HG12 ILE 87 HG12 ILE 87 5.867 1.654 -1.918 498 HG13 ILE 87 HG13 ILE 87 5.916 3.351 -1.468 499 HG21 ILE 87 HG21 ILE 87 5.135 0.612 0.956 500 HG22 ILE 87 HG22 ILE 87 4.346 0.031 -0.511 501 HG23 ILE 87 HG23 ILE 87 3.380 0.716 0.798 502 HD11 ILE 87 HD11 ILE 87 7.937 2.215 -0.860 503 HD12 ILE 87 HD12 ILE 87 7.035 1.052 0.109 504 HD13 ILE 87 HD13 ILE 87 7.086 2.751 0.588 505 H TYR 88 H TYR 88 1.800 4.251 -0.353 506 HA TYR 88 HA TYR 88 2.753 6.430 -2.106 507 HB2 TYR 88 HB2 TYR 88 -0.086 5.526 -1.584 508 HB3 TYR 88 HB3 TYR 88 0.237 7.213 -1.964 509 HD1 TYR 88 HD2 TYR 88 0.602 3.738 -3.296 510 HD2 TYR 88 HD1 TYR 88 0.612 7.903 -4.237 511 HE1 TYR 88 HE2 TYR 88 0.586 3.208 -5.689 512 HE2 TYR 88 HE1 TYR 88 0.608 7.364 -6.629 513 HH TYR 88 HH TYR 88 0.078 4.148 -7.794 514 H LYS 89 H LYS 89 2.986 8.307 -1.232 515 HA LYS 89 HA LYS 89 2.628 8.714 1.669 516 HB2 LYS 89 HB2 LYS 89 5.002 8.556 0.301 517 HB3 LYS 89 HB3 LYS 89 4.675 10.262 0.065 518 HG2 LYS 89 HG2 LYS 89 4.845 8.878 2.758 519 HG3 LYS 89 HG3 LYS 89 6.162 9.768 1.994 520 HD2 LYS 89 HD2 LYS 89 4.946 11.843 2.150 521 HD3 LYS 89 HD3 LYS 89 3.486 11.005 2.675 522 HE2 LYS 89 HE2 LYS 89 6.077 11.192 4.241 523 HE3 LYS 89 HE3 LYS 89 4.604 12.108 4.569 524 HZ1 LYS 89 HZ1 LYS 89 4.873 9.155 4.704 525 HZ2 LYS 89 HZ2 LYS 89 3.454 10.025 4.992 526 HZ3 LYS 89 HZ3 LYS 89 4.780 10.207 6.025 527 H LYS 90 H LYS 90 1.283 10.429 2.165 528 HA LYS 90 HA LYS 90 -0.252 11.546 0.030 529 HB2 LYS 90 HB2 LYS 90 -1.033 10.890 2.438 530 HB3 LYS 90 HB3 LYS 90 -0.472 12.490 2.910 531 HG2 LYS 90 HG2 LYS 90 -2.008 13.418 1.093 532 HG3 LYS 90 HG3 LYS 90 -2.655 11.802 0.915 533 HD2 LYS 90 HD2 LYS 90 -4.166 12.972 2.343 534 HD3 LYS 90 HD3 LYS 90 -3.256 11.878 3.386 535 HE2 LYS 90 HE2 LYS 90 -3.476 14.077 4.440 536 HE3 LYS 90 HE3 LYS 90 -1.785 13.759 4.049 537 HZ1 LYS 90 HZ1 LYS 90 -3.651 15.436 2.471 538 HZ2 LYS 90 HZ2 LYS 90 -2.045 15.113 2.063 539 HZ3 LYS 90 HZ3 LYS 90 -2.399 15.995 3.461 540 H LYS 91 H LYS 91 -0.071 13.445 -0.966 541 HA LYS 91 HA LYS 91 1.971 15.340 -0.562 542 HB2 LYS 91 HB2 LYS 91 -0.688 15.619 -2.016 543 HB3 LYS 91 HB3 LYS 91 0.620 16.794 -2.098 544 HG2 LYS 91 HG2 LYS 91 2.070 15.055 -3.148 545 HG3 LYS 91 HG3 LYS 91 0.686 13.949 -3.149 546 HD2 LYS 91 HD2 LYS 91 -0.590 15.540 -4.541 547 HD3 LYS 91 HD3 LYS 91 0.768 16.661 -4.527 548 HE2 LYS 91 HE2 LYS 91 0.693 15.486 -6.643 549 HE3 LYS 91 HE3 LYS 91 2.125 14.975 -5.746 550 HZ1 LYS 91 HZ1 LYS 91 0.931 13.132 -6.790 551 HZ2 LYS 91 HZ2 LYS 91 -0.435 13.481 -5.852 552 HZ3 LYS 91 HZ3 LYS 91 0.999 12.977 -5.107 553 H LEU 92 H LEU 92 2.023 17.241 0.593 554 HA LEU 92 HA LEU 92 -0.369 18.075 2.134 555 HB2 LEU 92 HB2 LEU 92 2.570 18.423 2.848 556 HB3 LEU 92 HB3 LEU 92 1.219 19.042 3.786 557 HG LEU 92 HG LEU 92 1.864 16.101 3.335 558 HD11 LEU 92 HD11 LEU 92 2.133 17.789 5.836 559 HD12 LEU 92 HD12 LEU 92 3.457 17.168 4.847 560 HD13 LEU 92 HD13 LEU 92 2.417 16.049 5.725 561 HD21 LEU 92 HD21 LEU 92 -0.555 16.410 3.510 562 HD22 LEU 92 HD22 LEU 92 -0.354 17.343 4.995 563 HD23 LEU 92 HD23 LEU 92 0.071 15.630 4.964 564 H GLU 93 H GLU 93 -1.053 19.294 0.326 565 HA GLU 93 HA GLU 93 -1.293 21.018 -1.089 566 HB2 GLU 93 HB2 GLU 93 -1.659 22.227 1.018 567 HB3 GLU 93 HB3 GLU 93 0.061 22.549 1.163 568 HG2 GLU 93 HG2 GLU 93 -1.214 24.529 0.409 569 HG3 GLU 93 HG3 GLU 93 0.009 24.036 -0.756 570 H HIS 94 H HIS 94 0.078 20.088 -2.664 571 HA HIS 94 HA HIS 94 2.816 20.960 -2.964 572 HB2 HIS 94 HB2 HIS 94 2.145 18.748 -3.845 573 HB3 HIS 94 HB3 HIS 94 0.975 19.507 -4.922 574 HD1 HIS 94 HD1 HIS 94 1.828 19.696 -7.254 575 HD2 HIS 94 HD2 HIS 94 4.919 19.874 -4.487 576 HE1 HIS 94 HE1 HIS 94 3.929 19.925 -8.607 577 HE2 HIS 94 HE2 HIS 94 5.754 20.247 -6.902 578 H HIS 95 H HIS 95 3.092 23.076 -3.308 579 HA HIS 95 HA HIS 95 1.361 24.727 -4.892 580 HB2 HIS 95 HB2 HIS 95 4.134 25.167 -3.729 581 HB3 HIS 95 HB3 HIS 95 3.314 26.389 -4.697 582 HD1 HIS 95 HD1 HIS 95 1.988 28.017 -3.384 583 HD2 HIS 95 HD2 HIS 95 2.447 24.432 -1.331 584 HE1 HIS 95 HE1 HIS 95 0.918 28.385 -1.145 585 HE2 HIS 95 HE2 HIS 95 1.237 26.220 0.098 586 H HIS 96 H HIS 96 1.914 25.736 -6.902 587 HA HIS 96 HA HIS 96 2.650 23.888 -8.896 588 HB2 HIS 96 HB2 HIS 96 2.402 26.919 -9.074 589 HB3 HIS 96 HB3 HIS 96 2.504 25.845 -10.465 590 HD1 HIS 96 HD1 HIS 96 0.116 27.197 -7.976 591 HD2 HIS 96 HD2 HIS 96 0.166 24.229 -10.885 592 HE1 HIS 96 HE1 HIS 96 -2.290 26.574 -8.343 593 HE2 HIS 96 HE2 HIS 96 -2.221 24.694 -10.014 594 H HIS 97 H HIS 97 4.468 26.524 -7.372 595 HA HIS 97 HA HIS 97 6.652 27.066 -7.220 596 HB2 HIS 97 HB2 HIS 97 6.846 24.830 -6.241 597 HB3 HIS 97 HB3 HIS 97 6.982 24.099 -7.832 598 HD1 HIS 97 HD1 HIS 97 9.288 23.951 -8.846 599 HD2 HIS 97 HD2 HIS 97 9.213 26.286 -5.408 600 HE1 HIS 97 HE1 HIS 97 11.689 24.367 -8.263 601 HE2 HIS 97 HE2 HIS 97 11.625 25.653 -6.104 602 H HIS 98 H HIS 98 6.302 28.441 -9.076 603 HA HIS 98 HA HIS 98 7.984 27.767 -11.398 604 HB2 HIS 98 HB2 HIS 98 5.065 28.613 -11.581 605 HB3 HIS 98 HB3 HIS 98 6.183 28.795 -12.931 606 HD1 HIS 98 HD1 HIS 98 3.718 26.523 -11.784 607 HD2 HIS 98 HD2 HIS 98 7.495 26.082 -13.454 608 HE1 HIS 98 HE1 HIS 98 3.807 24.169 -12.642 609 HE2 HIS 98 HE2 HIS 98 6.164 23.871 -13.472 610 H HIS 99 H HIS 99 9.494 29.170 -10.718 611 HA HIS 99 HA HIS 99 10.690 31.041 -10.542 612 HB2 HIS 99 HB2 HIS 99 9.763 31.431 -12.840 613 HB3 HIS 99 HB3 HIS 99 8.467 32.388 -12.144 614 HD1 HIS 99 HD1 HIS 99 12.142 32.505 -12.923 615 HD2 HIS 99 HD2 HIS 99 9.193 35.005 -11.388 616 HE1 HIS 99 HE1 HIS 99 13.138 34.811 -12.935 617 HE2 HIS 99 HE2 HIS 99 11.282 36.322 -12.157 Start of MODEL 16 1 H1 ALA 22 H1 ALA 22 1.108 3.890 7.459 2 H2 ALA 22 H2 ALA 22 0.157 2.723 8.225 3 H3 ALA 22 H3 ALA 22 -0.578 4.006 7.405 4 HA ALA 22 HA ALA 22 0.250 3.224 5.310 5 HB1 ALA 22 HB1 ALA 22 2.350 2.258 6.177 6 HB2 ALA 22 HB2 ALA 22 1.494 1.110 5.151 7 HB3 ALA 22 HB3 ALA 22 1.445 0.931 6.906 8 H GLU 23 H GLU 23 -2.058 3.274 5.236 9 HA GLU 23 HA GLU 23 -3.608 1.041 6.307 10 HB2 GLU 23 HB2 GLU 23 -5.588 2.336 5.519 11 HB3 GLU 23 HB3 GLU 23 -4.541 3.287 6.568 12 HG2 GLU 23 HG2 GLU 23 -3.592 4.432 4.615 13 HG3 GLU 23 HG3 GLU 23 -4.583 3.452 3.540 14 H ILE 24 H ILE 24 -4.426 -0.611 5.114 15 HA ILE 24 HA ILE 24 -3.553 -0.996 2.386 16 HB ILE 24 HB ILE 24 -5.384 -2.699 4.138 17 HG12 ILE 24 HG12 ILE 24 -3.012 -2.494 4.950 18 HG13 ILE 24 HG13 ILE 24 -3.457 -4.137 4.521 19 HG21 ILE 24 HG21 ILE 24 -4.996 -4.520 2.484 20 HG22 ILE 24 HG22 ILE 24 -4.151 -3.381 1.437 21 HG23 ILE 24 HG23 ILE 24 -5.866 -3.156 1.782 22 HD11 ILE 24 HD11 ILE 24 -1.192 -3.561 3.832 23 HD12 ILE 24 HD12 ILE 24 -1.821 -2.274 2.808 24 HD13 ILE 24 HD13 ILE 24 -2.206 -3.958 2.445 25 H MET 25 H MET 25 -4.606 -0.077 0.732 26 HA MET 25 HA MET 25 -7.525 -0.490 0.527 27 HB2 MET 25 HB2 MET 25 -6.015 1.979 -0.473 28 HB3 MET 25 HB3 MET 25 -7.680 1.597 -0.895 29 HG2 MET 25 HG2 MET 25 -8.186 1.667 1.604 30 HG3 MET 25 HG3 MET 25 -6.585 2.374 1.813 31 HE1 MET 25 HE1 MET 25 -6.331 4.285 -0.777 32 HE2 MET 25 HE2 MET 25 -5.908 4.797 0.861 33 HE3 MET 25 HE3 MET 25 -6.989 5.785 -0.124 34 H LYS 26 H LYS 26 -8.202 -1.247 -1.483 35 HA LYS 26 HA LYS 26 -6.173 -2.366 -3.242 36 HB2 LYS 26 HB2 LYS 26 -9.219 -2.472 -3.309 37 HB3 LYS 26 HB3 LYS 26 -8.177 -3.308 -4.461 38 HG2 LYS 26 HG2 LYS 26 -7.194 -4.655 -2.692 39 HG3 LYS 26 HG3 LYS 26 -8.074 -3.757 -1.458 40 HD2 LYS 26 HD2 LYS 26 -9.528 -5.335 -3.604 41 HD3 LYS 26 HD3 LYS 26 -8.927 -6.118 -2.145 42 HE2 LYS 26 HE2 LYS 26 -11.248 -5.594 -1.809 43 HE3 LYS 26 HE3 LYS 26 -10.302 -4.513 -0.790 44 HZ1 LYS 26 HZ1 LYS 26 -10.651 -2.743 -2.389 45 HZ2 LYS 26 HZ2 LYS 26 -12.138 -3.387 -1.911 46 HZ3 LYS 26 HZ3 LYS 26 -11.487 -3.793 -3.414 47 H LYS 27 H LYS 27 -6.468 -2.023 -5.689 48 HA LYS 27 HA LYS 27 -5.453 0.543 -6.072 49 HB2 LYS 27 HB2 LYS 27 -5.129 -1.700 -7.430 50 HB3 LYS 27 HB3 LYS 27 -6.453 -1.104 -8.415 51 HG2 LYS 27 HG2 LYS 27 -3.869 0.429 -7.947 52 HG3 LYS 27 HG3 LYS 27 -4.120 -0.664 -9.307 53 HD2 LYS 27 HD2 LYS 27 -5.950 0.775 -10.138 54 HD3 LYS 27 HD3 LYS 27 -5.763 1.843 -8.746 55 HE2 LYS 27 HE2 LYS 27 -3.518 2.475 -9.492 56 HE3 LYS 27 HE3 LYS 27 -3.621 1.339 -10.841 57 HZ1 LYS 27 HZ1 LYS 27 -4.087 3.586 -11.559 58 HZ2 LYS 27 HZ2 LYS 27 -5.349 3.728 -10.443 59 HZ3 LYS 27 HZ3 LYS 27 -5.469 2.629 -11.722 60 H THR 28 H THR 28 -8.653 -0.728 -7.029 61 HA THR 28 HA THR 28 -9.556 1.593 -8.376 62 HB THR 28 HB THR 28 -10.589 -0.580 -8.801 63 HG1 THR 28 HG1 THR 28 -11.865 1.617 -8.688 64 HG21 THR 28 HG21 THR 28 -11.750 -0.423 -5.995 65 HG22 THR 28 HG22 THR 28 -10.524 -1.568 -6.544 66 HG23 THR 28 HG23 THR 28 -12.155 -1.636 -7.213 67 H ASP 29 H ASP 29 -9.736 0.611 -4.990 68 HA ASP 29 HA ASP 29 -11.565 2.608 -4.070 69 HB2 ASP 29 HB2 ASP 29 -9.421 1.038 -2.560 70 HB3 ASP 29 HB3 ASP 29 -10.696 1.991 -1.801 71 H PHE 30 H PHE 30 -8.056 2.321 -4.171 72 HA PHE 30 HA PHE 30 -7.431 4.741 -2.852 73 HB2 PHE 30 HB2 PHE 30 -5.794 2.954 -2.896 74 HB3 PHE 30 HB3 PHE 30 -5.801 2.911 -4.659 75 HD1 PHE 30 HD1 PHE 30 -4.930 5.079 -1.749 76 HD2 PHE 30 HD2 PHE 30 -4.286 4.278 -5.904 77 HE1 PHE 30 HE1 PHE 30 -3.143 6.748 -1.797 78 HE2 PHE 30 HE2 PHE 30 -2.499 5.948 -5.935 79 HZ PHE 30 HZ PHE 30 -1.933 7.185 -3.889 80 H ASP 31 H ASP 31 -7.945 3.883 -6.239 81 HA ASP 31 HA ASP 31 -6.592 5.905 -7.565 82 HB2 ASP 31 HB2 ASP 31 -7.674 3.829 -8.571 83 HB3 ASP 31 HB3 ASP 31 -9.220 4.665 -8.501 84 H LYS 32 H LYS 32 -9.790 5.909 -6.169 85 HA LYS 32 HA LYS 32 -10.967 8.222 -7.165 86 HB2 LYS 32 HB2 LYS 32 -11.288 7.035 -4.371 87 HB3 LYS 32 HB3 LYS 32 -12.451 8.074 -5.201 88 HG2 LYS 32 HG2 LYS 32 -12.936 6.354 -6.832 89 HG3 LYS 32 HG3 LYS 32 -11.604 5.349 -6.245 90 HD2 LYS 32 HD2 LYS 32 -12.805 5.116 -4.055 91 HD3 LYS 32 HD3 LYS 32 -14.159 6.026 -4.733 92 HE2 LYS 32 HE2 LYS 32 -14.502 4.282 -6.424 93 HE3 LYS 32 HE3 LYS 32 -13.107 3.389 -5.811 94 HZ1 LYS 32 HZ1 LYS 32 -14.279 3.165 -3.688 95 HZ2 LYS 32 HZ2 LYS 32 -15.117 2.440 -4.961 96 HZ3 LYS 32 HZ3 LYS 32 -15.635 3.933 -4.346 97 H VAL 33 H VAL 33 -8.576 7.865 -4.636 98 HA VAL 33 HA VAL 33 -8.443 10.794 -4.187 99 HB VAL 33 HB VAL 33 -7.549 10.267 -1.883 100 HG11 VAL 33 HG11 VAL 33 -9.887 10.925 -2.139 101 HG12 VAL 33 HG12 VAL 33 -9.733 9.728 -0.854 102 HG13 VAL 33 HG13 VAL 33 -10.362 9.248 -2.434 103 HG21 VAL 33 HG21 VAL 33 -8.422 7.405 -2.496 104 HG22 VAL 33 HG22 VAL 33 -7.884 8.003 -0.924 105 HG23 VAL 33 HG23 VAL 33 -6.759 7.962 -2.279 106 H ALA 34 H ALA 34 -6.940 8.837 -6.078 107 HA ALA 34 HA ALA 34 -4.327 8.351 -5.186 108 HB1 ALA 34 HB1 ALA 34 -3.742 7.995 -7.545 109 HB2 ALA 34 HB2 ALA 34 -5.244 8.781 -8.045 110 HB3 ALA 34 HB3 ALA 34 -5.300 7.260 -7.158 111 H SER 35 H SER 35 -5.679 11.218 -6.758 112 HA SER 35 HA SER 35 -3.232 12.560 -7.319 113 HB2 SER 35 HB2 SER 35 -6.006 13.784 -7.000 114 HB3 SER 35 HB3 SER 35 -4.634 14.482 -7.871 115 HG SER 35 HG SER 35 -6.489 12.795 -8.774 116 H GLU 36 H GLU 36 -4.693 11.971 -4.340 117 HA GLU 36 HA GLU 36 -3.645 14.377 -3.004 118 HB2 GLU 36 HB2 GLU 36 -5.240 12.053 -1.822 119 HB3 GLU 36 HB3 GLU 36 -4.857 13.571 -1.015 120 HG2 GLU 36 HG2 GLU 36 -6.707 13.179 -3.394 121 HG3 GLU 36 HG3 GLU 36 -7.177 13.582 -1.746 122 H TYR 37 H TYR 37 -2.348 11.542 -4.039 123 HA TYR 37 HA TYR 37 -0.444 11.322 -1.777 124 HB2 TYR 37 HB2 TYR 37 -1.777 8.967 -3.197 125 HB3 TYR 37 HB3 TYR 37 -0.483 8.828 -2.010 126 HD1 TYR 37 HD1 TYR 37 -0.939 9.247 0.390 127 HD2 TYR 37 HD2 TYR 37 -4.077 9.502 -2.483 128 HE1 TYR 37 HE1 TYR 37 -2.600 9.240 2.196 129 HE2 TYR 37 HE2 TYR 37 -5.741 9.469 -0.690 130 HH TYR 37 HH TYR 37 -5.902 8.683 1.659 131 H THR 38 H THR 38 1.474 9.836 -2.474 132 HA THR 38 HA THR 38 2.307 10.386 -5.250 133 HB THR 38 HB THR 38 3.175 12.257 -3.878 134 HG1 THR 38 HG1 THR 38 4.432 11.353 -5.630 135 HG21 THR 38 HG21 THR 38 4.890 11.914 -2.140 136 HG22 THR 38 HG22 THR 38 4.695 10.168 -2.285 137 HG23 THR 38 HG23 THR 38 3.365 11.150 -1.674 138 H LYS 39 H LYS 39 3.465 8.761 -6.161 139 HA LYS 39 HA LYS 39 3.529 6.194 -4.843 140 HB2 LYS 39 HB2 LYS 39 2.910 6.769 -7.331 141 HB3 LYS 39 HB3 LYS 39 4.639 6.789 -7.625 142 HG2 LYS 39 HG2 LYS 39 3.241 4.375 -6.429 143 HG3 LYS 39 HG3 LYS 39 3.307 4.635 -8.172 144 HD2 LYS 39 HD2 LYS 39 5.778 4.590 -8.089 145 HD3 LYS 39 HD3 LYS 39 5.722 4.351 -6.338 146 HE2 LYS 39 HE2 LYS 39 6.117 2.222 -7.464 147 HE3 LYS 39 HE3 LYS 39 4.541 2.205 -6.677 148 HZ1 LYS 39 HZ1 LYS 39 4.306 1.229 -8.792 149 HZ2 LYS 39 HZ2 LYS 39 5.113 2.494 -9.566 150 HZ3 LYS 39 HZ3 LYS 39 3.582 2.755 -8.903 151 H ILE 40 H ILE 40 5.176 5.763 -3.448 152 HA ILE 40 HA ILE 40 7.830 7.016 -3.880 153 HB ILE 40 HB ILE 40 8.306 6.571 -1.515 154 HG12 ILE 40 HG12 ILE 40 5.513 5.339 -1.303 155 HG13 ILE 40 HG13 ILE 40 7.008 4.416 -1.321 156 HG21 ILE 40 HG21 ILE 40 6.638 8.078 -0.480 157 HG22 ILE 40 HG22 ILE 40 5.569 7.858 -1.867 158 HG23 ILE 40 HG23 ILE 40 7.128 8.660 -2.072 159 HD11 ILE 40 HD11 ILE 40 6.193 6.393 0.806 160 HD12 ILE 40 HD12 ILE 40 7.689 5.458 0.777 161 HD13 ILE 40 HD13 ILE 40 6.140 4.635 0.919 162 H GLY 41 H GLY 41 6.282 3.990 -4.257 163 HA2 GLY 41 HA2 GLY 41 8.327 2.652 -5.498 164 HA3 GLY 41 HA3 GLY 41 8.577 2.277 -3.795 165 H THR 42 H THR 42 8.172 0.081 -5.073 166 HA THR 42 HA THR 42 5.410 -0.695 -4.320 167 HB THR 42 HB THR 42 7.035 -1.997 -6.565 168 HG1 THR 42 HG1 THR 42 4.789 -0.268 -6.828 169 HG21 THR 42 HG21 THR 42 4.106 -2.315 -5.790 170 HG22 THR 42 HG22 THR 42 5.374 -3.514 -5.518 171 HG23 THR 42 HG23 THR 42 4.898 -3.092 -7.163 172 H ILE 43 H ILE 43 5.334 -2.375 -2.863 173 HA ILE 43 HA ILE 43 7.811 -3.952 -2.355 174 HB ILE 43 HB ILE 43 7.140 -4.220 -0.003 175 HG12 ILE 43 HG12 ILE 43 4.841 -2.271 -0.556 176 HG13 ILE 43 HG13 ILE 43 4.653 -4.003 -0.304 177 HG21 ILE 43 HG21 ILE 43 7.605 -1.940 0.812 178 HG22 ILE 43 HG22 ILE 43 7.259 -1.288 -0.791 179 HG23 ILE 43 HG23 ILE 43 8.640 -2.361 -0.555 180 HD11 ILE 43 HD11 ILE 43 5.496 -3.767 1.985 181 HD12 ILE 43 HD12 ILE 43 4.077 -2.764 1.693 182 HD13 ILE 43 HD13 ILE 43 5.677 -2.026 1.741 183 H SER 44 H SER 44 7.439 -6.102 -1.514 184 HA SER 44 HA SER 44 4.832 -7.345 -2.088 185 HB2 SER 44 HB2 SER 44 7.520 -8.454 -3.031 186 HB3 SER 44 HB3 SER 44 5.957 -9.250 -3.214 187 HG SER 44 HG SER 44 6.524 -6.692 -4.284 188 H THR 45 H THR 45 4.437 -9.253 -0.855 189 HA THR 45 HA THR 45 5.806 -9.460 1.683 190 HB THR 45 HB THR 45 4.218 -11.318 2.165 191 HG1 THR 45 HG1 THR 45 4.083 -11.637 -0.406 192 HG21 THR 45 HG21 THR 45 2.115 -10.036 2.085 193 HG22 THR 45 HG22 THR 45 2.845 -8.902 0.945 194 HG23 THR 45 HG23 THR 45 3.464 -9.017 2.593 195 H THR 46 H THR 46 6.460 -11.742 2.453 196 HA THR 46 HA THR 46 8.812 -12.530 1.246 197 HB THR 46 HB THR 46 8.622 -14.622 2.703 198 HG1 THR 46 HG1 THR 46 6.743 -14.478 4.196 199 HG21 THR 46 HG21 THR 46 8.005 -11.969 4.067 200 HG22 THR 46 HG22 THR 46 9.611 -12.537 3.606 201 HG23 THR 46 HG23 THR 46 8.696 -13.395 4.846 202 H GLY 47 H GLY 47 5.606 -13.955 0.768 203 HA2 GLY 47 HA2 GLY 47 6.316 -14.893 -1.873 204 HA3 GLY 47 HA3 GLY 47 6.042 -16.203 -0.718 205 H GLU 48 H GLU 48 4.157 -16.871 -1.932 206 HA GLU 48 HA GLU 48 1.859 -15.140 -2.112 207 HB2 GLU 48 HB2 GLU 48 2.044 -18.163 -2.427 208 HB3 GLU 48 HB3 GLU 48 0.625 -17.187 -2.801 209 HG2 GLU 48 HG2 GLU 48 2.085 -15.930 -4.486 210 HG3 GLU 48 HG3 GLU 48 3.306 -17.176 -4.222 211 H MET 49 H MET 49 1.361 -14.366 -0.151 212 HA MET 49 HA MET 49 1.032 -16.113 2.190 213 HB2 MET 49 HB2 MET 49 0.851 -13.076 1.983 214 HB3 MET 49 HB3 MET 49 0.921 -14.016 3.472 215 HG2 MET 49 HG2 MET 49 3.136 -13.909 1.408 216 HG3 MET 49 HG3 MET 49 3.072 -12.903 2.849 217 HE1 MET 49 HE1 MET 49 2.355 -14.519 5.258 218 HE2 MET 49 HE2 MET 49 3.870 -13.617 5.155 219 HE3 MET 49 HE3 MET 49 3.874 -15.287 5.720 220 H SER 50 H SER 50 -0.865 -15.677 3.600 221 HA SER 50 HA SER 50 -3.365 -16.036 2.266 222 HB2 SER 50 HB2 SER 50 -2.796 -15.409 5.209 223 HB3 SER 50 HB3 SER 50 -4.270 -16.140 4.560 224 HG SER 50 HG SER 50 -1.912 -17.422 3.900 225 HA PRO 51 HA PRO 51 -4.653 -12.067 1.226 226 HB2 PRO 51 HB2 PRO 51 -7.283 -11.737 2.039 227 HB3 PRO 51 HB3 PRO 51 -6.783 -12.803 0.708 228 HG2 PRO 51 HG2 PRO 51 -7.394 -13.517 3.567 229 HG3 PRO 51 HG3 PRO 51 -7.892 -14.337 2.065 230 HD2 PRO 51 HD2 PRO 51 -5.830 -15.253 3.551 231 HD3 PRO 51 HD3 PRO 51 -5.813 -15.360 1.777 232 H LEU 52 H LEU 52 -6.021 -12.329 4.544 233 HA LEU 52 HA LEU 52 -5.778 -9.512 5.092 234 HB2 LEU 52 HB2 LEU 52 -7.514 -11.296 5.972 235 HB3 LEU 52 HB3 LEU 52 -6.298 -11.676 7.168 236 HG LEU 52 HG LEU 52 -8.119 -10.171 8.002 237 HD11 LEU 52 HD11 LEU 52 -6.743 -8.549 9.186 238 HD12 LEU 52 HD12 LEU 52 -5.398 -8.853 8.085 239 HD13 LEU 52 HD13 LEU 52 -5.968 -10.134 9.156 240 HD21 LEU 52 HD21 LEU 52 -8.252 -7.834 7.304 241 HD22 LEU 52 HD22 LEU 52 -8.556 -8.911 5.944 242 HD23 LEU 52 HD23 LEU 52 -6.995 -8.101 6.093 243 H ASP 53 H ASP 53 -3.970 -12.412 5.784 244 HA ASP 53 HA ASP 53 -2.141 -11.495 7.737 245 HB2 ASP 53 HB2 ASP 53 -2.572 -13.868 7.383 246 HB3 ASP 53 HB3 ASP 53 -2.035 -13.770 5.711 247 H ALA 54 H ALA 54 -2.038 -11.549 4.202 248 HA ALA 54 HA ALA 54 0.626 -10.661 3.810 249 HB1 ALA 54 HB1 ALA 54 -0.056 -10.212 1.480 250 HB2 ALA 54 HB2 ALA 54 -1.752 -10.427 1.928 251 HB3 ALA 54 HB3 ALA 54 -0.642 -11.792 2.014 252 H ARG 55 H ARG 55 -2.522 -9.064 4.023 253 HA ARG 55 HA ARG 55 -1.859 -6.425 3.446 254 HB2 ARG 55 HB2 ARG 55 -3.959 -7.585 5.318 255 HB3 ARG 55 HB3 ARG 55 -3.856 -5.860 4.964 256 HG2 ARG 55 HG2 ARG 55 -4.289 -6.269 2.606 257 HG3 ARG 55 HG3 ARG 55 -4.283 -8.016 2.867 258 HD2 ARG 55 HD2 ARG 55 -6.572 -7.106 2.679 259 HD3 ARG 55 HD3 ARG 55 -6.285 -7.844 4.257 260 HE ARG 55 HE ARG 55 -5.731 -5.122 4.517 261 HH11 ARG 55 HH11 ARG 55 -8.548 -7.124 3.837 262 HH12 ARG 55 HH12 ARG 55 -9.669 -5.994 4.519 263 HH21 ARG 55 HH21 ARG 55 -7.221 -3.654 5.423 264 HH22 ARG 55 HH22 ARG 55 -8.920 -4.027 5.420 265 H GLU 56 H GLU 56 -1.800 -8.085 6.602 266 HA GLU 56 HA GLU 56 -0.994 -5.906 8.201 267 HB2 GLU 56 HB2 GLU 56 -0.619 -8.893 8.609 268 HB3 GLU 56 HB3 GLU 56 -0.357 -7.680 9.864 269 HG2 GLU 56 HG2 GLU 56 -2.697 -7.057 9.843 270 HG3 GLU 56 HG3 GLU 56 -3.008 -8.080 8.440 271 H ASP 57 H ASP 57 0.893 -8.389 6.512 272 HA ASP 57 HA ASP 57 3.476 -7.707 7.430 273 HB2 ASP 57 HB2 ASP 57 2.854 -9.841 6.226 274 HB3 ASP 57 HB3 ASP 57 2.708 -8.927 4.729 275 H LEU 58 H LEU 58 1.578 -6.644 4.643 276 HA LEU 58 HA LEU 58 3.463 -4.825 3.541 277 HB2 LEU 58 HB2 LEU 58 0.447 -5.023 3.206 278 HB3 LEU 58 HB3 LEU 58 1.473 -3.961 2.251 279 HG LEU 58 HG LEU 58 1.679 -7.000 2.273 280 HD11 LEU 58 HD11 LEU 58 -0.426 -6.330 1.262 281 HD12 LEU 58 HD12 LEU 58 0.672 -6.949 0.032 282 HD13 LEU 58 HD13 LEU 58 0.409 -5.209 0.183 283 HD21 LEU 58 HD21 LEU 58 3.162 -6.748 0.345 284 HD22 LEU 58 HD22 LEU 58 3.820 -5.914 1.749 285 HD23 LEU 58 HD23 LEU 58 3.051 -4.990 0.456 286 H ILE 59 H ILE 59 0.919 -4.465 6.015 287 HA ILE 59 HA ILE 59 0.840 -1.640 6.174 288 HB ILE 59 HB ILE 59 0.335 -3.735 8.345 289 HG12 ILE 59 HG12 ILE 59 -1.676 -1.985 6.849 290 HG13 ILE 59 HG13 ILE 59 -1.311 -3.656 6.444 291 HG21 ILE 59 HG21 ILE 59 1.014 -1.658 9.472 292 HG22 ILE 59 HG22 ILE 59 -0.702 -1.952 9.737 293 HG23 ILE 59 HG23 ILE 59 -0.186 -0.739 8.562 294 HD11 ILE 59 HD11 ILE 59 -2.155 -4.383 8.617 295 HD12 ILE 59 HD12 ILE 59 -3.366 -3.486 7.708 296 HD13 ILE 59 HD13 ILE 59 -2.518 -2.707 9.040 297 H LYS 60 H LYS 60 2.730 -4.090 7.977 298 HA LYS 60 HA LYS 60 4.089 -2.206 9.609 299 HB2 LYS 60 HB2 LYS 60 3.795 -4.590 10.234 300 HB3 LYS 60 HB3 LYS 60 4.918 -5.064 8.962 301 HG2 LYS 60 HG2 LYS 60 6.750 -3.915 10.067 302 HG3 LYS 60 HG3 LYS 60 5.657 -3.233 11.275 303 HD2 LYS 60 HD2 LYS 60 5.184 -5.549 12.101 304 HD3 LYS 60 HD3 LYS 60 6.352 -6.182 10.933 305 HE2 LYS 60 HE2 LYS 60 8.138 -4.871 12.020 306 HE3 LYS 60 HE3 LYS 60 6.969 -4.234 13.180 307 HZ1 LYS 60 HZ1 LYS 60 7.803 -7.064 12.875 308 HZ2 LYS 60 HZ2 LYS 60 6.569 -6.538 13.903 309 HZ3 LYS 60 HZ3 LYS 60 8.159 -6.033 14.169 310 H LYS 61 H LYS 61 5.155 -4.007 6.685 311 HA LYS 61 HA LYS 61 7.776 -2.904 6.635 312 HB2 LYS 61 HB2 LYS 61 6.138 -4.308 4.496 313 HB3 LYS 61 HB3 LYS 61 7.810 -3.801 4.235 314 HG2 LYS 61 HG2 LYS 61 8.567 -5.214 6.075 315 HG3 LYS 61 HG3 LYS 61 6.903 -5.673 6.449 316 HD2 LYS 61 HD2 LYS 61 6.725 -6.816 4.261 317 HD3 LYS 61 HD3 LYS 61 8.382 -6.333 3.868 318 HE2 LYS 61 HE2 LYS 61 9.263 -7.688 5.676 319 HE3 LYS 61 HE3 LYS 61 7.638 -8.038 6.269 320 HZ1 LYS 61 HZ1 LYS 61 8.500 -9.891 5.035 321 HZ2 LYS 61 HZ2 LYS 61 8.781 -8.921 3.684 322 HZ3 LYS 61 HZ3 LYS 61 7.195 -9.212 4.195 323 H ALA 62 H ALA 62 4.768 -1.891 4.955 324 HA ALA 62 HA ALA 62 5.983 0.243 3.501 325 HB1 ALA 62 HB1 ALA 62 3.803 -0.664 2.864 326 HB2 ALA 62 HB2 ALA 62 3.725 1.080 3.116 327 HB3 ALA 62 HB3 ALA 62 3.093 -0.024 4.344 328 H ASP 63 H ASP 63 4.597 0.019 6.759 329 HA ASP 63 HA ASP 63 4.694 2.781 7.408 330 HB2 ASP 63 HB2 ASP 63 3.470 1.063 8.755 331 HB3 ASP 63 HB3 ASP 63 5.013 0.398 9.286 332 H GLU 64 H GLU 64 7.106 0.157 7.653 333 HA GLU 64 HA GLU 64 9.261 1.641 8.735 334 HB2 GLU 64 HB2 GLU 64 9.457 -0.684 6.770 335 HB3 GLU 64 HB3 GLU 64 10.745 -0.102 7.822 336 HG2 GLU 64 HG2 GLU 64 8.173 -1.454 8.668 337 HG3 GLU 64 HG3 GLU 64 9.787 -2.154 8.704 338 H LYS 65 H LYS 65 8.135 1.213 5.378 339 HA LYS 65 HA LYS 65 10.163 2.827 4.141 340 HB2 LYS 65 HB2 LYS 65 7.345 2.367 3.072 341 HB3 LYS 65 HB3 LYS 65 8.776 2.809 2.143 342 HG2 LYS 65 HG2 LYS 65 8.310 0.161 3.538 343 HG3 LYS 65 HG3 LYS 65 8.111 0.462 1.816 344 HD2 LYS 65 HD2 LYS 65 10.528 0.909 1.605 345 HD3 LYS 65 HD3 LYS 65 10.737 0.667 3.344 346 HE2 LYS 65 HE2 LYS 65 10.067 -1.669 3.144 347 HE3 LYS 65 HE3 LYS 65 9.689 -1.454 1.435 348 HZ1 LYS 65 HZ1 LYS 65 12.379 -1.294 2.683 349 HZ2 LYS 65 HZ2 LYS 65 12.054 -0.970 1.054 350 HZ3 LYS 65 HZ3 LYS 65 11.801 -2.524 1.671 351 H GLY 66 H GLY 66 7.460 3.657 6.107 352 HA2 GLY 66 HA2 GLY 66 6.803 5.743 6.880 353 HA3 GLY 66 HA3 GLY 66 7.823 6.513 5.672 354 H ALA 67 H ALA 67 5.829 4.161 4.298 355 HA ALA 67 HA ALA 67 4.290 5.956 2.753 356 HB1 ALA 67 HB1 ALA 67 4.900 3.715 1.945 357 HB2 ALA 67 HB2 ALA 67 3.149 3.933 1.907 358 HB3 ALA 67 HB3 ALA 67 3.895 2.974 3.192 359 H ASP 68 H ASP 68 2.239 6.701 2.996 360 HA ASP 68 HA ASP 68 0.879 6.343 5.562 361 HB2 ASP 68 HB2 ASP 68 0.281 8.157 3.179 362 HB3 ASP 68 HB3 ASP 68 -0.669 8.137 4.662 363 H VAL 69 H VAL 69 0.526 5.412 2.184 364 HA VAL 69 HA VAL 69 -1.752 3.650 2.894 365 HB VAL 69 HB VAL 69 -1.554 5.238 0.277 366 HG11 VAL 69 HG11 VAL 69 -3.771 4.274 -0.289 367 HG12 VAL 69 HG12 VAL 69 -3.718 3.283 1.172 368 HG13 VAL 69 HG13 VAL 69 -2.544 3.018 -0.117 369 HG21 VAL 69 HG21 VAL 69 -2.269 6.665 2.148 370 HG22 VAL 69 HG22 VAL 69 -3.558 5.530 2.552 371 HG23 VAL 69 HG23 VAL 69 -3.601 6.408 1.021 372 H VAL 70 H VAL 70 -1.766 1.654 1.898 373 HA VAL 70 HA VAL 70 0.454 0.868 0.106 374 HB VAL 70 HB VAL 70 -1.063 -1.145 1.814 375 HG11 VAL 70 HG11 VAL 70 1.760 -1.157 0.692 376 HG12 VAL 70 HG12 VAL 70 0.363 -2.015 0.044 377 HG13 VAL 70 HG13 VAL 70 1.013 -2.464 1.618 378 HG21 VAL 70 HG21 VAL 70 0.617 -0.992 3.619 379 HG22 VAL 70 HG22 VAL 70 -0.312 0.499 3.456 380 HG23 VAL 70 HG23 VAL 70 1.333 0.416 2.831 381 H VAL 71 H VAL 71 -0.262 0.040 -1.873 382 HA VAL 71 HA VAL 71 -3.205 0.012 -2.315 383 HB VAL 71 HB VAL 71 -1.034 0.994 -4.227 384 HG11 VAL 71 HG11 VAL 71 -2.900 1.853 -5.613 385 HG12 VAL 71 HG12 VAL 71 -4.064 1.107 -4.515 386 HG13 VAL 71 HG13 VAL 71 -2.963 0.097 -5.452 387 HG21 VAL 71 HG21 VAL 71 -1.907 3.263 -3.760 388 HG22 VAL 71 HG22 VAL 71 -1.276 2.497 -2.302 389 HG23 VAL 71 HG23 VAL 71 -3.020 2.592 -2.562 390 H LEU 72 H LEU 72 -3.760 -2.088 -2.537 391 HA LEU 72 HA LEU 72 -2.021 -4.164 -3.389 392 HB2 LEU 72 HB2 LEU 72 -5.062 -4.181 -3.227 393 HB3 LEU 72 HB3 LEU 72 -4.049 -5.607 -3.385 394 HG LEU 72 HG LEU 72 -4.213 -3.748 -0.980 395 HD11 LEU 72 HD11 LEU 72 -5.011 -6.664 -1.269 396 HD12 LEU 72 HD12 LEU 72 -6.103 -5.285 -1.132 397 HD13 LEU 72 HD13 LEU 72 -5.066 -5.718 0.223 398 HD21 LEU 72 HD21 LEU 72 -2.611 -5.232 0.150 399 HD22 LEU 72 HD22 LEU 72 -1.887 -4.462 -1.257 400 HD23 LEU 72 HD23 LEU 72 -2.391 -6.151 -1.342 401 H THR 73 H THR 73 -1.151 -3.974 -5.379 402 HA THR 73 HA THR 73 -2.708 -3.225 -7.726 403 HB THR 73 HB THR 73 -0.440 -2.301 -7.436 404 HG1 THR 73 HG1 THR 73 -0.662 -2.231 -9.527 405 HG21 THR 73 HG21 THR 73 1.579 -3.653 -7.739 406 HG22 THR 73 HG22 THR 73 0.608 -5.120 -7.867 407 HG23 THR 73 HG23 THR 73 0.670 -4.236 -6.342 408 H SER 74 H SER 74 -1.271 -6.143 -6.328 409 HA SER 74 HA SER 74 -1.915 -7.881 -8.550 410 HB2 SER 74 HB2 SER 74 -1.303 -8.559 -5.639 411 HB3 SER 74 HB3 SER 74 -1.349 -9.712 -6.978 412 HG SER 74 HG SER 74 0.274 -7.784 -7.705 413 H GLY 75 H GLY 75 -3.732 -6.361 -6.119 414 HA2 GLY 75 HA2 GLY 75 -6.009 -6.487 -5.672 415 HA3 GLY 75 HA3 GLY 75 -6.097 -8.037 -6.509 416 H GLN 76 H GLN 76 -7.004 -9.311 -4.909 417 HA GLN 76 HA GLN 76 -5.519 -9.575 -2.357 418 HB2 GLN 76 HB2 GLN 76 -7.558 -8.184 -2.067 419 HB3 GLN 76 HB3 GLN 76 -8.542 -9.499 -2.655 420 HG2 GLN 76 HG2 GLN 76 -8.775 -9.529 -0.306 421 HG3 GLN 76 HG3 GLN 76 -7.710 -10.871 -0.692 422 HE21 GLN 76 HE21 GLN 76 -5.281 -9.056 -0.927 423 HE22 GLN 76 HE22 GLN 76 -4.916 -8.630 0.695 424 H THR 77 H THR 77 -6.814 -11.092 -5.063 425 HA THR 77 HA THR 77 -7.978 -13.441 -4.205 426 HB THR 77 HB THR 77 -6.282 -13.144 -6.707 427 HG1 THR 77 HG1 THR 77 -8.997 -12.389 -6.251 428 HG21 THR 77 HG21 THR 77 -8.725 -14.841 -6.109 429 HG22 THR 77 HG22 THR 77 -7.075 -15.437 -6.304 430 HG23 THR 77 HG23 THR 77 -7.922 -14.725 -7.677 431 H GLU 78 H GLU 78 -6.995 -14.571 -2.605 432 HA GLU 78 HA GLU 78 -4.235 -14.784 -2.096 433 HB2 GLU 78 HB2 GLU 78 -4.876 -16.335 -0.297 434 HB3 GLU 78 HB3 GLU 78 -5.953 -14.940 -0.345 435 HG2 GLU 78 HG2 GLU 78 -7.627 -16.340 -1.592 436 HG3 GLU 78 HG3 GLU 78 -6.565 -17.731 -1.383 437 H ASN 79 H ASN 79 -6.208 -16.600 -4.192 438 HA ASN 79 HA ASN 79 -4.724 -19.065 -4.218 439 HB2 ASN 79 HB2 ASN 79 -6.826 -17.958 -6.137 440 HB3 ASN 79 HB3 ASN 79 -6.209 -19.606 -6.159 441 HD21 ASN 79 HD21 ASN 79 -6.984 -21.081 -4.652 442 HD22 ASN 79 HD22 ASN 79 -8.270 -20.729 -3.554 443 H LYS 80 H LYS 80 -3.967 -16.011 -5.449 444 HA LYS 80 HA LYS 80 -2.073 -17.029 -7.408 445 HB2 LYS 80 HB2 LYS 80 -4.327 -16.869 -8.590 446 HB3 LYS 80 HB3 LYS 80 -4.274 -15.128 -8.342 447 HG2 LYS 80 HG2 LYS 80 -2.220 -15.006 -9.731 448 HG3 LYS 80 HG3 LYS 80 -2.286 -16.754 -9.974 449 HD2 LYS 80 HD2 LYS 80 -4.474 -16.503 -11.129 450 HD3 LYS 80 HD3 LYS 80 -4.403 -14.757 -10.881 451 HE2 LYS 80 HE2 LYS 80 -2.404 -14.623 -12.301 452 HE3 LYS 80 HE3 LYS 80 -2.409 -16.375 -12.506 453 HZ1 LYS 80 HZ1 LYS 80 -4.512 -16.216 -13.657 454 HZ2 LYS 80 HZ2 LYS 80 -3.378 -15.212 -14.409 455 HZ3 LYS 80 HZ3 LYS 80 -4.569 -14.545 -13.415 456 H ILE 81 H ILE 81 -2.772 -14.729 -5.022 457 HA ILE 81 HA ILE 81 -0.938 -12.693 -6.179 458 HB ILE 81 HB ILE 81 -1.584 -11.146 -4.383 459 HG12 ILE 81 HG12 ILE 81 -3.816 -11.971 -3.033 460 HG13 ILE 81 HG13 ILE 81 -3.014 -13.524 -3.177 461 HG21 ILE 81 HG21 ILE 81 -3.933 -10.741 -5.067 462 HG22 ILE 81 HG22 ILE 81 -3.995 -12.355 -5.779 463 HG23 ILE 81 HG23 ILE 81 -2.896 -11.145 -6.439 464 HD11 ILE 81 HD11 ILE 81 -1.085 -12.640 -1.959 465 HD12 ILE 81 HD12 ILE 81 -2.574 -12.431 -1.036 466 HD13 ILE 81 HD13 ILE 81 -1.856 -11.054 -1.873 467 H HIS 82 H HIS 82 1.012 -12.149 -5.268 468 HA HIS 82 HA HIS 82 1.940 -13.674 -2.900 469 HB2 HIS 82 HB2 HIS 82 4.251 -13.448 -3.722 470 HB3 HIS 82 HB3 HIS 82 3.246 -14.288 -4.885 471 HD1 HIS 82 HD1 HIS 82 3.198 -13.360 -7.225 472 HD2 HIS 82 HD2 HIS 82 4.982 -10.754 -4.547 473 HE1 HIS 82 HE1 HIS 82 4.262 -11.580 -8.628 474 HE2 HIS 82 HE2 HIS 82 5.275 -9.973 -6.980 475 H GLY 83 H GLY 83 0.413 -11.173 -3.068 476 HA2 GLY 83 HA2 GLY 83 0.131 -9.409 -1.656 477 HA3 GLY 83 HA3 GLY 83 1.526 -9.991 -0.763 478 H THR 84 H THR 84 1.067 -8.633 -4.053 479 HA THR 84 HA THR 84 3.301 -6.767 -3.561 480 HB THR 84 HB THR 84 1.975 -7.454 -6.226 481 HG1 THR 84 HG1 THR 84 4.509 -8.347 -5.327 482 HG21 THR 84 HG21 THR 84 3.141 -5.269 -6.243 483 HG22 THR 84 HG22 THR 84 3.992 -6.451 -7.236 484 HG23 THR 84 HG23 THR 84 4.606 -6.045 -5.632 485 H ALA 85 H ALA 85 2.975 -4.650 -3.475 486 HA ALA 85 HA ALA 85 0.476 -3.386 -4.242 487 HB1 ALA 85 HB1 ALA 85 0.032 -2.552 -1.956 488 HB2 ALA 85 HB2 ALA 85 1.370 -3.524 -1.333 489 HB3 ALA 85 HB3 ALA 85 -0.049 -4.311 -2.028 490 H ASP 86 H ASP 86 0.793 -1.274 -4.761 491 HA ASP 86 HA ASP 86 3.468 -0.152 -4.710 492 HB2 ASP 86 HB2 ASP 86 0.855 1.198 -5.542 493 HB3 ASP 86 HB3 ASP 86 2.481 1.778 -5.882 494 H ILE 87 H ILE 87 4.230 1.161 -3.137 495 HA ILE 87 HA ILE 87 2.462 1.965 -0.937 496 HB ILE 87 HB ILE 87 4.635 2.533 0.255 497 HG12 ILE 87 HG12 ILE 87 5.907 1.112 -2.132 498 HG13 ILE 87 HG13 ILE 87 6.058 2.824 -1.780 499 HG21 ILE 87 HG21 ILE 87 5.177 0.172 0.737 500 HG22 ILE 87 HG22 ILE 87 4.282 -0.330 -0.699 501 HG23 ILE 87 HG23 ILE 87 3.433 0.433 0.648 502 HD11 ILE 87 HD11 ILE 87 8.043 1.583 -1.172 503 HD12 ILE 87 HD12 ILE 87 7.105 0.591 -0.056 504 HD13 ILE 87 HD13 ILE 87 7.292 2.323 0.241 505 H TYR 88 H TYR 88 2.022 4.005 -0.420 506 HA TYR 88 HA TYR 88 3.042 6.244 -2.052 507 HB2 TYR 88 HB2 TYR 88 0.131 5.566 -1.416 508 HB3 TYR 88 HB3 TYR 88 0.633 7.184 -1.895 509 HD1 TYR 88 HD2 TYR 88 0.735 3.621 -3.114 510 HD2 TYR 88 HD1 TYR 88 0.640 7.750 -4.184 511 HE1 TYR 88 HE2 TYR 88 0.430 3.009 -5.464 512 HE2 TYR 88 HE1 TYR 88 0.336 7.131 -6.538 513 HH TYR 88 HH TYR 88 0.841 5.140 -8.002 514 H LYS 89 H LYS 89 3.152 8.210 -1.030 515 HA LYS 89 HA LYS 89 2.462 8.343 1.860 516 HB2 LYS 89 HB2 LYS 89 4.606 9.750 0.239 517 HB3 LYS 89 HB3 LYS 89 4.034 10.442 1.752 518 HG2 LYS 89 HG2 LYS 89 4.630 8.180 2.831 519 HG3 LYS 89 HG3 LYS 89 5.467 7.802 1.324 520 HD2 LYS 89 HD2 LYS 89 7.043 8.656 2.986 521 HD3 LYS 89 HD3 LYS 89 6.917 9.784 1.634 522 HE2 LYS 89 HE2 LYS 89 6.959 10.918 3.858 523 HE3 LYS 89 HE3 LYS 89 5.492 11.267 2.945 524 HZ1 LYS 89 HZ1 LYS 89 4.294 9.658 4.285 525 HZ2 LYS 89 HZ2 LYS 89 5.044 10.791 5.288 526 HZ3 LYS 89 HZ3 LYS 89 5.705 9.247 5.126 527 H LYS 90 H LYS 90 1.409 10.206 2.615 528 HA LYS 90 HA LYS 90 -0.525 11.317 0.795 529 HB2 LYS 90 HB2 LYS 90 -0.840 10.802 3.346 530 HB3 LYS 90 HB3 LYS 90 -0.050 12.349 3.617 531 HG2 LYS 90 HG2 LYS 90 -1.891 13.301 2.000 532 HG3 LYS 90 HG3 LYS 90 -2.726 11.786 2.316 533 HD2 LYS 90 HD2 LYS 90 -3.629 13.383 3.850 534 HD3 LYS 90 HD3 LYS 90 -2.569 12.333 4.799 535 HE2 LYS 90 HE2 LYS 90 -2.219 14.659 5.444 536 HE3 LYS 90 HE3 LYS 90 -0.771 14.055 4.641 537 HZ1 LYS 90 HZ1 LYS 90 -1.272 16.238 3.832 538 HZ2 LYS 90 HZ2 LYS 90 -2.859 15.809 3.456 539 HZ3 LYS 90 HZ3 LYS 90 -1.577 15.147 2.579 540 H LYS 91 H LYS 91 -0.666 13.445 0.044 541 HA LYS 91 HA LYS 91 1.779 14.882 -0.273 542 HB2 LYS 91 HB2 LYS 91 -1.083 15.574 -1.029 543 HB3 LYS 91 HB3 LYS 91 0.279 16.650 -1.351 544 HG2 LYS 91 HG2 LYS 91 1.358 14.882 -2.699 545 HG3 LYS 91 HG3 LYS 91 -0.008 13.812 -2.383 546 HD2 LYS 91 HD2 LYS 91 -1.511 15.317 -3.604 547 HD3 LYS 91 HD3 LYS 91 -0.196 16.474 -3.845 548 HE2 LYS 91 HE2 LYS 91 -0.269 13.643 -4.948 549 HE3 LYS 91 HE3 LYS 91 -0.622 15.107 -5.869 550 HZ1 LYS 91 HZ1 LYS 91 1.633 14.356 -6.247 551 HZ2 LYS 91 HZ2 LYS 91 1.983 14.453 -4.595 552 HZ3 LYS 91 HZ3 LYS 91 1.643 15.857 -5.468 553 H LEU 92 H LEU 92 2.489 15.241 1.755 554 HA LEU 92 HA LEU 92 1.356 17.562 3.184 555 HB2 LEU 92 HB2 LEU 92 2.142 16.499 5.346 556 HB3 LEU 92 HB3 LEU 92 0.783 15.701 4.589 557 HG LEU 92 HG LEU 92 2.582 14.027 3.635 558 HD11 LEU 92 HD11 LEU 92 4.555 13.661 5.041 559 HD12 LEU 92 HD12 LEU 92 4.175 15.111 5.973 560 HD13 LEU 92 HD13 LEU 92 4.599 15.245 4.266 561 HD21 LEU 92 HD21 LEU 92 2.376 12.582 5.608 562 HD22 LEU 92 HD22 LEU 92 0.851 13.378 5.232 563 HD23 LEU 92 HD23 LEU 92 1.839 13.960 6.575 564 H GLU 93 H GLU 93 3.045 18.710 4.443 565 HA GLU 93 HA GLU 93 5.778 18.414 3.305 566 HB2 GLU 93 HB2 GLU 93 4.349 20.956 4.224 567 HB3 GLU 93 HB3 GLU 93 6.043 20.879 3.737 568 HG2 GLU 93 HG2 GLU 93 5.378 20.222 1.459 569 HG3 GLU 93 HG3 GLU 93 3.682 20.227 1.939 570 H HIS 94 H HIS 94 7.502 19.032 4.725 571 HA HIS 94 HA HIS 94 7.204 18.203 7.483 572 HB2 HIS 94 HB2 HIS 94 9.576 19.128 5.801 573 HB3 HIS 94 HB3 HIS 94 9.728 18.838 7.531 574 HD1 HIS 94 HD1 HIS 94 8.645 16.909 4.410 575 HD2 HIS 94 HD2 HIS 94 10.330 16.248 8.154 576 HE1 HIS 94 HE1 HIS 94 9.222 14.465 4.476 577 HE2 HIS 94 HE2 HIS 94 10.206 14.083 6.758 578 H HIS 95 H HIS 95 7.974 19.579 9.272 579 HA HIS 95 HA HIS 95 6.401 21.904 9.461 580 HB2 HIS 95 HB2 HIS 95 8.569 20.789 11.286 581 HB3 HIS 95 HB3 HIS 95 7.648 22.234 11.694 582 HD1 HIS 95 HD1 HIS 95 5.681 21.786 13.124 583 HD2 HIS 95 HD2 HIS 95 6.618 18.491 10.764 584 HE1 HIS 95 HE1 HIS 95 4.061 19.985 13.790 585 HE2 HIS 95 HE2 HIS 95 4.540 18.071 12.237 586 H HIS 96 H HIS 96 6.771 23.787 8.510 587 HA HIS 96 HA HIS 96 9.262 24.622 7.417 588 HB2 HIS 96 HB2 HIS 96 6.740 26.278 7.896 589 HB3 HIS 96 HB3 HIS 96 8.076 26.721 6.838 590 HD1 HIS 96 HD1 HIS 96 4.810 25.246 6.714 591 HD2 HIS 96 HD2 HIS 96 8.369 24.638 4.649 592 HE1 HIS 96 HE1 HIS 96 4.172 24.085 4.582 593 HE2 HIS 96 HE2 HIS 96 6.344 23.619 3.413 594 H HIS 97 H HIS 97 10.842 24.795 8.981 595 HA HIS 97 HA HIS 97 10.722 27.114 10.781 596 HB2 HIS 97 HB2 HIS 97 9.958 24.911 11.978 597 HB3 HIS 97 HB3 HIS 97 11.643 24.415 11.873 598 HD1 HIS 97 HD1 HIS 97 9.520 27.201 13.357 599 HD2 HIS 97 HD2 HIS 97 13.196 25.364 13.957 600 HE1 HIS 97 HE1 HIS 97 10.428 28.188 15.474 601 HE2 HIS 97 HE2 HIS 97 12.737 27.211 15.692 602 H HIS 98 H HIS 98 12.111 26.318 8.270 603 HA HIS 98 HA HIS 98 14.894 26.875 9.087 604 HB2 HIS 98 HB2 HIS 98 15.808 25.204 7.549 605 HB3 HIS 98 HB3 HIS 98 14.728 24.405 8.682 606 HD1 HIS 98 HD1 HIS 98 15.139 25.205 5.052 607 HD2 HIS 98 HD2 HIS 98 12.364 23.325 7.515 608 HE1 HIS 98 HE1 HIS 98 13.582 23.996 3.507 609 HE2 HIS 98 HE2 HIS 98 12.088 22.664 5.035 610 H HIS 99 H HIS 99 16.215 27.540 7.155 611 HA HIS 99 HA HIS 99 16.731 28.957 5.502 612 HB2 HIS 99 HB2 HIS 99 15.524 27.484 3.964 613 HB3 HIS 99 HB3 HIS 99 13.984 28.222 4.386 614 HD1 HIS 99 HD1 HIS 99 13.375 30.426 3.249 615 HD2 HIS 99 HD2 HIS 99 17.164 29.064 2.227 616 HE1 HIS 99 HE1 HIS 99 14.111 31.858 1.322 617 HE2 HIS 99 HE2 HIS 99 16.465 31.117 0.829 Start of MODEL 17 1 H1 ALA 22 H1 ALA 22 -0.639 4.013 8.344 2 H2 ALA 22 H2 ALA 22 0.993 3.583 8.462 3 H3 ALA 22 H3 ALA 22 -0.202 2.559 9.079 4 HA ALA 22 HA ALA 22 0.084 3.267 6.232 5 HB1 ALA 22 HB1 ALA 22 1.010 0.990 5.961 6 HB2 ALA 22 HB2 ALA 22 0.945 0.759 7.707 7 HB3 ALA 22 HB3 ALA 22 2.018 1.979 7.019 8 H GLU 23 H GLU 23 -1.941 3.183 5.412 9 HA GLU 23 HA GLU 23 -3.997 1.403 6.602 10 HB2 GLU 23 HB2 GLU 23 -5.640 3.025 5.535 11 HB3 GLU 23 HB3 GLU 23 -4.646 3.720 6.812 12 HG2 GLU 23 HG2 GLU 23 -3.199 4.795 5.164 13 HG3 GLU 23 HG3 GLU 23 -4.078 4.027 3.846 14 H ILE 24 H ILE 24 -4.809 -0.231 5.375 15 HA ILE 24 HA ILE 24 -3.899 -0.735 2.690 16 HB ILE 24 HB ILE 24 -5.958 -2.158 4.442 17 HG12 ILE 24 HG12 ILE 24 -3.528 -2.305 5.135 18 HG13 ILE 24 HG13 ILE 24 -4.269 -3.861 4.786 19 HG21 ILE 24 HG21 ILE 24 -4.936 -3.054 1.723 20 HG22 ILE 24 HG22 ILE 24 -6.588 -2.571 2.114 21 HG23 ILE 24 HG23 ILE 24 -5.908 -4.037 2.822 22 HD11 ILE 24 HD11 ILE 24 -3.151 -3.905 2.606 23 HD12 ILE 24 HD12 ILE 24 -1.999 -3.745 3.931 24 HD13 ILE 24 HD13 ILE 24 -2.416 -2.339 2.952 25 H MET 25 H MET 25 -4.757 0.040 0.883 26 HA MET 25 HA MET 25 -7.679 0.473 0.609 27 HB2 MET 25 HB2 MET 25 -5.492 2.122 -0.766 28 HB3 MET 25 HB3 MET 25 -7.223 2.328 -0.968 29 HG2 MET 25 HG2 MET 25 -5.901 2.685 1.706 30 HG3 MET 25 HG3 MET 25 -5.998 3.992 0.540 31 HE1 MET 25 HE1 MET 25 -9.697 4.912 0.394 32 HE2 MET 25 HE2 MET 25 -8.696 4.047 -0.775 33 HE3 MET 25 HE3 MET 25 -8.037 5.427 0.107 34 H LYS 26 H LYS 26 -8.497 -0.207 -1.473 35 HA LYS 26 HA LYS 26 -6.749 -2.009 -3.010 36 HB2 LYS 26 HB2 LYS 26 -9.209 -2.482 -2.218 37 HB3 LYS 26 HB3 LYS 26 -9.697 -1.461 -3.542 38 HG2 LYS 26 HG2 LYS 26 -7.943 -3.881 -3.976 39 HG3 LYS 26 HG3 LYS 26 -9.696 -4.009 -3.896 40 HD2 LYS 26 HD2 LYS 26 -9.871 -2.407 -5.810 41 HD3 LYS 26 HD3 LYS 26 -8.111 -2.364 -5.906 42 HE2 LYS 26 HE2 LYS 26 -9.830 -4.830 -6.319 43 HE3 LYS 26 HE3 LYS 26 -9.102 -3.858 -7.599 44 HZ1 LYS 26 HZ1 LYS 26 -7.816 -5.842 -7.088 45 HZ2 LYS 26 HZ2 LYS 26 -7.594 -5.312 -5.501 46 HZ3 LYS 26 HZ3 LYS 26 -6.924 -4.439 -6.781 47 H LYS 27 H LYS 27 -6.392 -1.666 -5.257 48 HA LYS 27 HA LYS 27 -5.549 0.843 -5.970 49 HB2 LYS 27 HB2 LYS 27 -4.868 -1.362 -7.023 50 HB3 LYS 27 HB3 LYS 27 -6.352 -1.310 -7.967 51 HG2 LYS 27 HG2 LYS 27 -4.548 -0.525 -9.360 52 HG3 LYS 27 HG3 LYS 27 -5.571 0.862 -8.972 53 HD2 LYS 27 HD2 LYS 27 -3.935 1.446 -7.119 54 HD3 LYS 27 HD3 LYS 27 -2.889 0.152 -7.711 55 HE2 LYS 27 HE2 LYS 27 -2.821 1.334 -9.938 56 HE3 LYS 27 HE3 LYS 27 -3.701 2.674 -9.199 57 HZ1 LYS 27 HZ1 LYS 27 -1.853 2.937 -7.627 58 HZ2 LYS 27 HZ2 LYS 27 -1.343 3.096 -9.226 59 HZ3 LYS 27 HZ3 LYS 27 -1.022 1.671 -8.383 60 H THR 28 H THR 28 -8.728 -0.559 -6.627 61 HA THR 28 HA THR 28 -9.587 1.331 -8.573 62 HB THR 28 HB THR 28 -11.306 -0.449 -6.797 63 HG1 THR 28 HG1 THR 28 -9.953 -0.905 -9.255 64 HG21 THR 28 HG21 THR 28 -12.973 -0.308 -8.617 65 HG22 THR 28 HG22 THR 28 -11.923 0.792 -9.512 66 HG23 THR 28 HG23 THR 28 -12.626 1.300 -7.974 67 H ASP 29 H ASP 29 -10.373 1.026 -5.037 68 HA ASP 29 HA ASP 29 -11.963 3.423 -5.011 69 HB2 ASP 29 HB2 ASP 29 -11.860 3.242 -2.494 70 HB3 ASP 29 HB3 ASP 29 -12.473 1.811 -3.294 71 H PHE 30 H PHE 30 -8.632 2.681 -4.073 72 HA PHE 30 HA PHE 30 -7.870 5.180 -3.116 73 HB2 PHE 30 HB2 PHE 30 -6.505 3.176 -2.775 74 HB3 PHE 30 HB3 PHE 30 -6.178 3.064 -4.508 75 HD1 PHE 30 HD1 PHE 30 -5.686 5.229 -1.517 76 HD2 PHE 30 HD2 PHE 30 -4.394 4.295 -5.479 77 HE1 PHE 30 HE1 PHE 30 -3.786 6.748 -1.260 78 HE2 PHE 30 HE2 PHE 30 -2.492 5.806 -5.213 79 HZ PHE 30 HZ PHE 30 -2.184 7.027 -3.102 80 H ASP 31 H ASP 31 -7.831 3.930 -6.472 81 HA ASP 31 HA ASP 31 -6.269 5.785 -7.803 82 HB2 ASP 31 HB2 ASP 31 -7.147 3.845 -8.971 83 HB3 ASP 31 HB3 ASP 31 -8.802 4.388 -8.743 84 H LYS 32 H LYS 32 -9.633 6.095 -6.893 85 HA LYS 32 HA LYS 32 -10.465 8.371 -8.267 86 HB2 LYS 32 HB2 LYS 32 -11.285 7.490 -5.469 87 HB3 LYS 32 HB3 LYS 32 -12.218 8.542 -6.531 88 HG2 LYS 32 HG2 LYS 32 -12.627 6.728 -8.082 89 HG3 LYS 32 HG3 LYS 32 -11.508 5.673 -7.215 90 HD2 LYS 32 HD2 LYS 32 -13.812 5.067 -6.686 91 HD3 LYS 32 HD3 LYS 32 -13.016 5.703 -5.244 92 HE2 LYS 32 HE2 LYS 32 -14.114 7.902 -5.650 93 HE3 LYS 32 HE3 LYS 32 -14.941 7.212 -7.047 94 HZ1 LYS 32 HZ1 LYS 32 -16.093 5.702 -5.616 95 HZ2 LYS 32 HZ2 LYS 32 -16.300 7.269 -5.024 96 HZ3 LYS 32 HZ3 LYS 32 -15.216 6.216 -4.267 97 H VAL 33 H VAL 33 -8.551 8.125 -5.311 98 HA VAL 33 HA VAL 33 -8.470 11.085 -4.999 99 HB VAL 33 HB VAL 33 -7.949 10.689 -2.587 100 HG11 VAL 33 HG11 VAL 33 -10.538 9.371 -3.492 101 HG12 VAL 33 HG12 VAL 33 -10.288 11.097 -3.226 102 HG13 VAL 33 HG13 VAL 33 -10.211 9.977 -1.866 103 HG21 VAL 33 HG21 VAL 33 -8.504 7.747 -3.172 104 HG22 VAL 33 HG22 VAL 33 -8.246 8.450 -1.573 105 HG23 VAL 33 HG23 VAL 33 -6.933 8.433 -2.750 106 H ALA 34 H ALA 34 -6.686 8.888 -6.486 107 HA ALA 34 HA ALA 34 -4.238 8.671 -5.075 108 HB1 ALA 34 HB1 ALA 34 -4.894 7.133 -6.871 109 HB2 ALA 34 HB2 ALA 34 -3.296 7.820 -7.170 110 HB3 ALA 34 HB3 ALA 34 -4.699 8.425 -8.057 111 H SER 35 H SER 35 -5.424 11.292 -7.063 112 HA SER 35 HA SER 35 -3.020 12.568 -7.820 113 HB2 SER 35 HB2 SER 35 -5.710 13.867 -7.221 114 HB3 SER 35 HB3 SER 35 -4.405 14.567 -8.184 115 HG SER 35 HG SER 35 -4.651 12.761 -9.612 116 H GLU 36 H GLU 36 -4.682 12.409 -4.792 117 HA GLU 36 HA GLU 36 -3.241 14.648 -3.552 118 HB2 GLU 36 HB2 GLU 36 -5.222 12.688 -2.307 119 HB3 GLU 36 HB3 GLU 36 -4.684 14.209 -1.621 120 HG2 GLU 36 HG2 GLU 36 -6.488 13.779 -4.011 121 HG3 GLU 36 HG3 GLU 36 -6.906 14.538 -2.477 122 H TYR 37 H TYR 37 -2.213 11.744 -4.422 123 HA TYR 37 HA TYR 37 -0.474 11.353 -2.060 124 HB2 TYR 37 HB2 TYR 37 -1.936 9.143 -3.582 125 HB3 TYR 37 HB3 TYR 37 -0.706 8.872 -2.348 126 HD1 TYR 37 HD2 TYR 37 -4.204 9.975 -2.940 127 HD2 TYR 37 HD1 TYR 37 -1.228 9.190 0.018 128 HE1 TYR 37 HE2 TYR 37 -5.922 10.029 -1.195 129 HE2 TYR 37 HE1 TYR 37 -2.934 9.275 1.763 130 HH TYR 37 HH TYR 37 -6.238 9.123 1.104 131 H THR 38 H THR 38 1.498 10.155 -2.618 132 HA THR 38 HA THR 38 2.247 10.183 -5.468 133 HB THR 38 HB THR 38 3.125 12.285 -4.631 134 HG1 THR 38 HG1 THR 38 5.363 10.533 -4.648 135 HG21 THR 38 HG21 THR 38 4.541 10.748 -2.439 136 HG22 THR 38 HG22 THR 38 3.181 11.853 -2.212 137 HG23 THR 38 HG23 THR 38 4.736 12.462 -2.790 138 H LYS 39 H LYS 39 2.951 8.253 -6.013 139 HA LYS 39 HA LYS 39 3.485 6.154 -4.176 140 HB2 LYS 39 HB2 LYS 39 2.525 5.773 -6.424 141 HB3 LYS 39 HB3 LYS 39 4.023 6.315 -7.175 142 HG2 LYS 39 HG2 LYS 39 5.224 4.410 -6.155 143 HG3 LYS 39 HG3 LYS 39 3.723 3.879 -5.387 144 HD2 LYS 39 HD2 LYS 39 2.705 3.450 -7.567 145 HD3 LYS 39 HD3 LYS 39 4.123 4.105 -8.395 146 HE2 LYS 39 HE2 LYS 39 5.508 2.277 -7.506 147 HE3 LYS 39 HE3 LYS 39 4.124 1.641 -6.613 148 HZ1 LYS 39 HZ1 LYS 39 4.459 0.418 -8.623 149 HZ2 LYS 39 HZ2 LYS 39 4.368 1.820 -9.561 150 HZ3 LYS 39 HZ3 LYS 39 3.003 1.272 -8.727 151 H ILE 40 H ILE 40 5.325 5.584 -3.241 152 HA ILE 40 HA ILE 40 7.885 6.775 -4.142 153 HB ILE 40 HB ILE 40 8.723 6.296 -1.837 154 HG12 ILE 40 HG12 ILE 40 5.817 5.556 -1.219 155 HG13 ILE 40 HG13 ILE 40 7.170 4.435 -1.233 156 HG21 ILE 40 HG21 ILE 40 7.874 8.528 -2.413 157 HG22 ILE 40 HG22 ILE 40 7.511 8.149 -0.731 158 HG23 ILE 40 HG23 ILE 40 6.237 8.053 -1.951 159 HD11 ILE 40 HD11 ILE 40 6.741 6.705 0.711 160 HD12 ILE 40 HD12 ILE 40 8.151 5.643 0.694 161 HD13 ILE 40 HD13 ILE 40 6.550 4.982 1.028 162 H GLY 41 H GLY 41 6.125 3.895 -4.155 163 HA2 GLY 41 HA2 GLY 41 7.773 2.507 -5.798 164 HA3 GLY 41 HA3 GLY 41 8.348 2.046 -4.200 165 H THR 42 H THR 42 7.548 0.006 -5.561 166 HA THR 42 HA THR 42 4.966 -0.774 -4.301 167 HB THR 42 HB THR 42 6.443 -2.185 -6.593 168 HG1 THR 42 HG1 THR 42 3.930 -1.078 -7.007 169 HG21 THR 42 HG21 THR 42 3.672 -2.719 -5.422 170 HG22 THR 42 HG22 THR 42 5.090 -3.750 -5.210 171 HG23 THR 42 HG23 THR 42 4.381 -3.543 -6.812 172 H ILE 43 H ILE 43 5.114 -2.283 -2.667 173 HA ILE 43 HA ILE 43 7.687 -3.710 -2.266 174 HB ILE 43 HB ILE 43 7.032 -4.077 0.095 175 HG12 ILE 43 HG12 ILE 43 4.669 -2.214 -0.446 176 HG13 ILE 43 HG13 ILE 43 4.535 -3.954 -0.230 177 HG21 ILE 43 HG21 ILE 43 7.416 -1.777 0.914 178 HG22 ILE 43 HG22 ILE 43 7.028 -1.137 -0.684 179 HG23 ILE 43 HG23 ILE 43 8.455 -2.151 -0.463 180 HD11 ILE 43 HD11 ILE 43 5.454 -1.961 1.835 181 HD12 ILE 43 HD12 ILE 43 5.395 -3.711 2.067 182 HD13 ILE 43 HD13 ILE 43 3.907 -2.805 1.786 183 H SER 44 H SER 44 7.531 -5.881 -1.493 184 HA SER 44 HA SER 44 5.112 -7.378 -2.320 185 HB2 SER 44 HB2 SER 44 8.016 -8.242 -2.758 186 HB3 SER 44 HB3 SER 44 6.569 -9.117 -3.265 187 HG SER 44 HG SER 44 6.615 -6.562 -4.221 188 H THR 45 H THR 45 4.751 -9.296 -1.105 189 HA THR 45 HA THR 45 5.781 -9.498 1.562 190 HB THR 45 HB THR 45 4.535 -11.747 1.493 191 HG1 THR 45 HG1 THR 45 3.396 -12.227 -0.362 192 HG21 THR 45 HG21 THR 45 3.380 -9.708 2.290 193 HG22 THR 45 HG22 THR 45 2.279 -10.761 1.398 194 HG23 THR 45 HG23 THR 45 2.930 -9.311 0.629 195 H THR 46 H THR 46 6.906 -11.523 2.363 196 HA THR 46 HA THR 46 9.238 -12.201 0.922 197 HB THR 46 HB THR 46 9.068 -12.397 3.395 198 HG1 THR 46 HG1 THR 46 10.712 -13.518 2.327 199 HG21 THR 46 HG21 THR 46 7.440 -14.913 2.864 200 HG22 THR 46 HG22 THR 46 6.824 -13.430 3.598 201 HG23 THR 46 HG23 THR 46 8.053 -14.381 4.433 202 H GLY 47 H GLY 47 6.029 -13.508 0.812 203 HA2 GLY 47 HA2 GLY 47 6.370 -14.818 -1.628 204 HA3 GLY 47 HA3 GLY 47 6.489 -16.035 -0.356 205 H GLU 48 H GLU 48 4.579 -16.728 -1.715 206 HA GLU 48 HA GLU 48 2.055 -15.522 -1.577 207 HB2 GLU 48 HB2 GLU 48 1.154 -17.667 -2.285 208 HB3 GLU 48 HB3 GLU 48 2.659 -17.379 -3.132 209 HG2 GLU 48 HG2 GLU 48 2.239 -19.292 -0.817 210 HG3 GLU 48 HG3 GLU 48 2.436 -19.739 -2.505 211 H MET 49 H MET 49 0.937 -15.024 0.172 212 HA MET 49 HA MET 49 0.711 -16.918 2.424 213 HB2 MET 49 HB2 MET 49 1.215 -13.915 2.737 214 HB3 MET 49 HB3 MET 49 0.758 -14.997 4.045 215 HG2 MET 49 HG2 MET 49 2.860 -16.294 3.633 216 HG3 MET 49 HG3 MET 49 3.337 -15.068 2.463 217 HE1 MET 49 HE1 MET 49 2.255 -12.372 4.015 218 HE2 MET 49 HE2 MET 49 3.779 -12.513 3.137 219 HE3 MET 49 HE3 MET 49 3.768 -11.914 4.797 220 H SER 50 H SER 50 -1.248 -16.758 3.598 221 HA SER 50 HA SER 50 -3.602 -16.230 2.165 222 HB2 SER 50 HB2 SER 50 -4.673 -16.424 4.520 223 HB3 SER 50 HB3 SER 50 -3.724 -17.798 3.953 224 HG SER 50 HG SER 50 -3.288 -16.140 6.079 225 HA PRO 51 HA PRO 51 -4.178 -11.997 1.715 226 HB2 PRO 51 HB2 PRO 51 -6.811 -11.536 2.698 227 HB3 PRO 51 HB3 PRO 51 -6.386 -12.094 1.068 228 HG2 PRO 51 HG2 PRO 51 -7.163 -13.711 3.470 229 HG3 PRO 51 HG3 PRO 51 -7.671 -13.896 1.774 230 HD2 PRO 51 HD2 PRO 51 -5.854 -15.534 2.748 231 HD3 PRO 51 HD3 PRO 51 -5.591 -14.831 1.130 232 H LEU 52 H LEU 52 -5.232 -12.974 4.972 233 HA LEU 52 HA LEU 52 -5.185 -10.337 6.073 234 HB2 LEU 52 HB2 LEU 52 -5.178 -13.054 7.438 235 HB3 LEU 52 HB3 LEU 52 -5.283 -11.536 8.303 236 HG LEU 52 HG LEU 52 -7.496 -12.419 8.210 237 HD11 LEU 52 HD11 LEU 52 -7.314 -10.263 6.093 238 HD12 LEU 52 HD12 LEU 52 -7.385 -10.013 7.839 239 HD13 LEU 52 HD13 LEU 52 -8.762 -10.720 6.998 240 HD21 LEU 52 HD21 LEU 52 -7.204 -14.047 6.401 241 HD22 LEU 52 HD22 LEU 52 -7.219 -12.745 5.208 242 HD23 LEU 52 HD23 LEU 52 -8.662 -13.083 6.170 243 H ASP 53 H ASP 53 -2.942 -13.112 6.265 244 HA ASP 53 HA ASP 53 -0.901 -11.859 7.793 245 HB2 ASP 53 HB2 ASP 53 -0.746 -14.174 5.813 246 HB3 ASP 53 HB3 ASP 53 0.556 -13.716 6.914 247 H ALA 54 H ALA 54 -1.540 -12.001 4.341 248 HA ALA 54 HA ALA 54 0.856 -10.848 3.358 249 HB1 ALA 54 HB1 ALA 54 -1.927 -10.811 2.123 250 HB2 ALA 54 HB2 ALA 54 -0.725 -12.082 1.913 251 HB3 ALA 54 HB3 ALA 54 -0.411 -10.469 1.273 252 H ARG 55 H ARG 55 -2.318 -9.415 4.198 253 HA ARG 55 HA ARG 55 -1.748 -6.736 3.536 254 HB2 ARG 55 HB2 ARG 55 -3.701 -7.839 5.586 255 HB3 ARG 55 HB3 ARG 55 -3.620 -6.137 5.133 256 HG2 ARG 55 HG2 ARG 55 -4.282 -6.659 2.849 257 HG3 ARG 55 HG3 ARG 55 -4.234 -8.390 3.197 258 HD2 ARG 55 HD2 ARG 55 -6.003 -7.924 5.008 259 HD3 ARG 55 HD3 ARG 55 -6.183 -6.329 4.269 260 HE ARG 55 HE ARG 55 -6.520 -7.927 2.160 261 HH11 ARG 55 HH11 ARG 55 -8.001 -8.013 5.351 262 HH12 ARG 55 HH12 ARG 55 -9.462 -8.745 4.773 263 HH21 ARG 55 HH21 ARG 55 -8.441 -8.935 1.458 264 HH22 ARG 55 HH22 ARG 55 -9.712 -9.260 2.597 265 H GLU 56 H GLU 56 -1.467 -8.467 6.654 266 HA GLU 56 HA GLU 56 -0.679 -6.283 8.276 267 HB2 GLU 56 HB2 GLU 56 -0.096 -9.262 8.601 268 HB3 GLU 56 HB3 GLU 56 0.165 -8.060 9.860 269 HG2 GLU 56 HG2 GLU 56 -2.493 -8.851 8.648 270 HG3 GLU 56 HG3 GLU 56 -1.906 -9.278 10.253 271 H ASP 57 H ASP 57 1.169 -8.604 6.383 272 HA ASP 57 HA ASP 57 3.796 -7.890 7.104 273 HB2 ASP 57 HB2 ASP 57 3.171 -9.929 5.788 274 HB3 ASP 57 HB3 ASP 57 2.762 -8.911 4.416 275 H LEU 58 H LEU 58 1.759 -6.848 4.406 276 HA LEU 58 HA LEU 58 3.543 -4.966 3.283 277 HB2 LEU 58 HB2 LEU 58 0.534 -5.279 3.021 278 HB3 LEU 58 HB3 LEU 58 1.500 -4.215 2.008 279 HG LEU 58 HG LEU 58 1.892 -7.233 2.156 280 HD11 LEU 58 HD11 LEU 58 0.817 -7.375 -0.039 281 HD12 LEU 58 HD12 LEU 58 0.418 -5.657 0.037 282 HD13 LEU 58 HD13 LEU 58 -0.292 -6.782 1.198 283 HD21 LEU 58 HD21 LEU 58 3.928 -6.023 1.468 284 HD22 LEU 58 HD22 LEU 58 3.028 -5.238 0.169 285 HD23 LEU 58 HD23 LEU 58 3.267 -6.987 0.146 286 H ILE 59 H ILE 59 0.953 -4.586 5.702 287 HA ILE 59 HA ILE 59 0.959 -1.757 5.927 288 HB ILE 59 HB ILE 59 0.284 -3.880 8.026 289 HG12 ILE 59 HG12 ILE 59 -1.598 -2.127 6.384 290 HG13 ILE 59 HG13 ILE 59 -1.195 -3.790 5.983 291 HG21 ILE 59 HG21 ILE 59 -0.255 -0.881 8.197 292 HG22 ILE 59 HG22 ILE 59 0.885 -1.793 9.189 293 HG23 ILE 59 HG23 ILE 59 -0.844 -2.098 9.333 294 HD11 ILE 59 HD11 ILE 59 -2.650 -2.858 8.455 295 HD12 ILE 59 HD12 ILE 59 -2.213 -4.533 8.099 296 HD13 ILE 59 HD13 ILE 59 -3.347 -3.677 7.056 297 H LYS 60 H LYS 60 2.671 -4.283 7.785 298 HA LYS 60 HA LYS 60 4.040 -2.664 9.617 299 HB2 LYS 60 HB2 LYS 60 3.829 -5.117 9.864 300 HB3 LYS 60 HB3 LYS 60 4.844 -5.369 8.448 301 HG2 LYS 60 HG2 LYS 60 6.742 -4.284 9.677 302 HG3 LYS 60 HG3 LYS 60 5.709 -4.178 11.103 303 HD2 LYS 60 HD2 LYS 60 5.540 -6.657 11.150 304 HD3 LYS 60 HD3 LYS 60 6.577 -6.751 9.722 305 HE2 LYS 60 HE2 LYS 60 8.421 -5.684 11.007 306 HE3 LYS 60 HE3 LYS 60 7.380 -5.615 12.431 307 HZ1 LYS 60 HZ1 LYS 60 8.201 -8.109 11.052 308 HZ2 LYS 60 HZ2 LYS 60 7.311 -8.002 12.485 309 HZ3 LYS 60 HZ3 LYS 60 8.923 -7.496 12.450 310 H LYS 61 H LYS 61 5.064 -3.911 6.462 311 HA LYS 61 HA LYS 61 7.725 -2.810 6.617 312 HB2 LYS 61 HB2 LYS 61 6.183 -4.264 4.450 313 HB3 LYS 61 HB3 LYS 61 7.842 -3.704 4.222 314 HG2 LYS 61 HG2 LYS 61 8.705 -5.182 5.850 315 HG3 LYS 61 HG3 LYS 61 7.118 -5.451 6.578 316 HD2 LYS 61 HD2 LYS 61 7.922 -7.405 5.311 317 HD3 LYS 61 HD3 LYS 61 6.405 -6.771 4.675 318 HE2 LYS 61 HE2 LYS 61 7.641 -5.677 2.840 319 HE3 LYS 61 HE3 LYS 61 9.164 -6.305 3.489 320 HZ1 LYS 61 HZ1 LYS 61 8.244 -7.665 1.694 321 HZ2 LYS 61 HZ2 LYS 61 6.869 -7.972 2.628 322 HZ3 LYS 61 HZ3 LYS 61 8.382 -8.528 3.137 323 H ALA 62 H ALA 62 4.707 -1.842 4.969 324 HA ALA 62 HA ALA 62 5.862 0.331 3.490 325 HB1 ALA 62 HB1 ALA 62 2.999 0.032 4.472 326 HB2 ALA 62 HB2 ALA 62 3.634 -0.577 2.945 327 HB3 ALA 62 HB3 ALA 62 3.566 1.160 3.230 328 H ASP 63 H ASP 63 4.414 0.044 6.692 329 HA ASP 63 HA ASP 63 4.513 2.742 7.522 330 HB2 ASP 63 HB2 ASP 63 3.275 0.842 8.660 331 HB3 ASP 63 HB3 ASP 63 4.820 0.230 9.234 332 H GLU 64 H GLU 64 6.797 0.059 7.847 333 HA GLU 64 HA GLU 64 8.936 1.391 9.111 334 HB2 GLU 64 HB2 GLU 64 8.733 -1.062 8.965 335 HB3 GLU 64 HB3 GLU 64 8.946 -0.997 7.221 336 HG2 GLU 64 HG2 GLU 64 11.257 -0.275 7.483 337 HG3 GLU 64 HG3 GLU 64 11.067 -0.171 9.233 338 H LYS 65 H LYS 65 8.092 1.019 5.684 339 HA LYS 65 HA LYS 65 10.387 2.440 4.637 340 HB2 LYS 65 HB2 LYS 65 7.757 1.572 3.358 341 HB3 LYS 65 HB3 LYS 65 9.003 2.437 2.470 342 HG2 LYS 65 HG2 LYS 65 9.323 -0.295 3.746 343 HG3 LYS 65 HG3 LYS 65 9.089 0.027 2.025 344 HD2 LYS 65 HD2 LYS 65 11.233 1.263 1.968 345 HD3 LYS 65 HD3 LYS 65 11.464 0.945 3.689 346 HE2 LYS 65 HE2 LYS 65 11.468 -1.517 3.171 347 HE3 LYS 65 HE3 LYS 65 11.392 -1.109 1.454 348 HZ1 LYS 65 HZ1 LYS 65 13.566 -0.340 3.325 349 HZ2 LYS 65 HZ2 LYS 65 13.489 0.065 1.686 350 HZ3 LYS 65 HZ3 LYS 65 13.644 -1.551 2.147 351 H GLY 66 H GLY 66 7.728 3.491 6.358 352 HA2 GLY 66 HA2 GLY 66 6.860 5.546 6.796 353 HA3 GLY 66 HA3 GLY 66 8.179 6.250 5.873 354 H ALA 67 H ALA 67 5.312 4.259 5.231 355 HA ALA 67 HA ALA 67 4.489 6.098 3.054 356 HB1 ALA 67 HB1 ALA 67 3.588 4.146 1.847 357 HB2 ALA 67 HB2 ALA 67 4.186 3.075 3.119 358 HB3 ALA 67 HB3 ALA 67 5.326 3.974 2.120 359 H ASP 68 H ASP 68 2.448 6.848 3.236 360 HA ASP 68 HA ASP 68 0.986 6.368 5.674 361 HB2 ASP 68 HB2 ASP 68 0.303 8.047 3.229 362 HB3 ASP 68 HB3 ASP 68 -0.696 7.978 4.680 363 H VAL 69 H VAL 69 0.530 5.592 2.226 364 HA VAL 69 HA VAL 69 -1.785 3.870 2.987 365 HB VAL 69 HB VAL 69 -1.380 5.290 0.311 366 HG11 VAL 69 HG11 VAL 69 -2.567 3.137 0.071 367 HG12 VAL 69 HG12 VAL 69 -3.663 4.486 -0.209 368 HG13 VAL 69 HG13 VAL 69 -3.718 3.612 1.323 369 HG21 VAL 69 HG21 VAL 69 -3.304 6.686 0.958 370 HG22 VAL 69 HG22 VAL 69 -1.968 6.886 2.092 371 HG23 VAL 69 HG23 VAL 69 -3.363 5.900 2.539 372 H VAL 70 H VAL 70 -1.804 1.839 2.363 373 HA VAL 70 HA VAL 70 0.341 0.675 0.690 374 HB VAL 70 HB VAL 70 -1.379 -0.921 2.649 375 HG11 VAL 70 HG11 VAL 70 1.427 -1.384 1.576 376 HG12 VAL 70 HG12 VAL 70 -0.047 -2.204 1.055 377 HG13 VAL 70 HG13 VAL 70 0.561 -2.445 2.691 378 HG21 VAL 70 HG21 VAL 70 -0.465 0.859 4.039 379 HG22 VAL 70 HG22 VAL 70 1.161 0.540 3.437 380 HG23 VAL 70 HG23 VAL 70 0.331 -0.671 4.415 381 H VAL 71 H VAL 71 -0.506 0.254 -1.308 382 HA VAL 71 HA VAL 71 -3.436 -0.052 -1.619 383 HB VAL 71 HB VAL 71 -1.376 0.908 -3.665 384 HG11 VAL 71 HG11 VAL 71 -4.417 0.818 -3.846 385 HG12 VAL 71 HG12 VAL 71 -3.283 -0.163 -4.776 386 HG13 VAL 71 HG13 VAL 71 -3.345 1.580 -5.026 387 HG21 VAL 71 HG21 VAL 71 -3.424 2.506 -2.079 388 HG22 VAL 71 HG22 VAL 71 -2.344 3.144 -3.324 389 HG23 VAL 71 HG23 VAL 71 -1.676 2.512 -1.819 390 H LEU 72 H LEU 72 -3.918 -2.149 -1.720 391 HA LEU 72 HA LEU 72 -2.300 -4.261 -2.621 392 HB2 LEU 72 HB2 LEU 72 -5.333 -4.114 -2.422 393 HB3 LEU 72 HB3 LEU 72 -4.424 -5.600 -2.670 394 HG LEU 72 HG LEU 72 -4.233 -3.823 -0.200 395 HD11 LEU 72 HD11 LEU 72 -5.577 -6.518 -0.540 396 HD12 LEU 72 HD12 LEU 72 -6.384 -4.965 -0.303 397 HD13 LEU 72 HD13 LEU 72 -5.382 -5.636 0.979 398 HD21 LEU 72 HD21 LEU 72 -2.933 -6.520 -0.740 399 HD22 LEU 72 HD22 LEU 72 -2.904 -5.648 0.796 400 HD23 LEU 72 HD23 LEU 72 -2.101 -4.966 -0.616 401 H THR 73 H THR 73 -1.402 -3.876 -4.606 402 HA THR 73 HA THR 73 -3.031 -3.453 -6.983 403 HB THR 73 HB THR 73 -0.822 -2.339 -6.806 404 HG1 THR 73 HG1 THR 73 -1.206 -4.224 -8.900 405 HG21 THR 73 HG21 THR 73 0.390 -5.120 -7.006 406 HG22 THR 73 HG22 THR 73 0.428 -4.091 -5.573 407 HG23 THR 73 HG23 THR 73 1.275 -3.593 -7.039 408 H SER 74 H SER 74 -1.506 -6.140 -5.270 409 HA SER 74 HA SER 74 -2.086 -8.166 -7.189 410 HB2 SER 74 HB2 SER 74 -1.830 -8.275 -4.151 411 HB3 SER 74 HB3 SER 74 -2.158 -9.706 -5.130 412 HG SER 74 HG SER 74 -0.000 -8.063 -5.812 413 H GLY 75 H GLY 75 -4.087 -8.206 -8.067 414 HA2 GLY 75 HA2 GLY 75 -6.546 -7.640 -6.771 415 HA3 GLY 75 HA3 GLY 75 -6.338 -8.562 -8.258 416 H GLN 76 H GLN 76 -6.493 -8.734 -4.768 417 HA GLN 76 HA GLN 76 -5.706 -11.358 -4.326 418 HB2 GLN 76 HB2 GLN 76 -5.830 -9.677 -2.543 419 HB3 GLN 76 HB3 GLN 76 -7.584 -9.648 -2.670 420 HG2 GLN 76 HG2 GLN 76 -6.779 -10.942 -0.721 421 HG3 GLN 76 HG3 GLN 76 -7.759 -11.900 -1.821 422 HE21 GLN 76 HE21 GLN 76 -4.521 -11.328 -0.623 423 HE22 GLN 76 HE22 GLN 76 -3.852 -12.835 -1.139 424 H THR 77 H THR 77 -6.569 -12.741 -5.717 425 HA THR 77 HA THR 77 -9.463 -13.305 -5.747 426 HB THR 77 HB THR 77 -8.489 -12.842 -7.951 427 HG1 THR 77 HG1 THR 77 -9.980 -14.294 -8.353 428 HG21 THR 77 HG21 THR 77 -6.128 -13.470 -7.535 429 HG22 THR 77 HG22 THR 77 -6.756 -14.274 -8.975 430 HG23 THR 77 HG23 THR 77 -6.584 -15.174 -7.466 431 H GLU 78 H GLU 78 -6.555 -14.383 -4.404 432 HA GLU 78 HA GLU 78 -5.871 -16.138 -3.183 433 HB2 GLU 78 HB2 GLU 78 -8.170 -16.362 -2.308 434 HB3 GLU 78 HB3 GLU 78 -8.617 -17.362 -3.684 435 HG2 GLU 78 HG2 GLU 78 -6.848 -19.021 -2.886 436 HG3 GLU 78 HG3 GLU 78 -6.730 -18.054 -1.416 437 H ASN 79 H ASN 79 -7.416 -16.875 -6.256 438 HA ASN 79 HA ASN 79 -6.484 -19.393 -6.874 439 HB2 ASN 79 HB2 ASN 79 -8.237 -18.288 -8.156 440 HB3 ASN 79 HB3 ASN 79 -7.147 -17.004 -8.646 441 HD21 ASN 79 HD21 ASN 79 -8.100 -20.308 -9.175 442 HD22 ASN 79 HD22 ASN 79 -7.262 -20.520 -10.671 443 H LYS 80 H LYS 80 -5.021 -16.219 -7.604 444 HA LYS 80 HA LYS 80 -2.344 -17.288 -7.469 445 HB2 LYS 80 HB2 LYS 80 -2.951 -17.811 -9.824 446 HB3 LYS 80 HB3 LYS 80 -3.333 -16.117 -10.117 447 HG2 LYS 80 HG2 LYS 80 -0.988 -15.501 -9.710 448 HG3 LYS 80 HG3 LYS 80 -0.596 -17.182 -9.342 449 HD2 LYS 80 HD2 LYS 80 -1.140 -17.823 -11.668 450 HD3 LYS 80 HD3 LYS 80 -1.564 -16.147 -12.041 451 HE2 LYS 80 HE2 LYS 80 0.761 -15.448 -11.592 452 HE3 LYS 80 HE3 LYS 80 1.184 -17.104 -11.153 453 HZ1 LYS 80 HZ1 LYS 80 0.277 -16.206 -13.826 454 HZ2 LYS 80 HZ2 LYS 80 0.676 -17.791 -13.405 455 HZ3 LYS 80 HZ3 LYS 80 1.864 -16.591 -13.391 456 H ILE 81 H ILE 81 -1.670 -15.860 -5.982 457 HA ILE 81 HA ILE 81 -1.315 -13.063 -6.776 458 HB ILE 81 HB ILE 81 -1.826 -12.324 -4.339 459 HG12 ILE 81 HG12 ILE 81 -3.809 -13.764 -3.337 460 HG13 ILE 81 HG13 ILE 81 -3.133 -15.074 -4.289 461 HG21 ILE 81 HG21 ILE 81 -4.155 -13.112 -6.112 462 HG22 ILE 81 HG22 ILE 81 -3.199 -11.633 -6.229 463 HG23 ILE 81 HG23 ILE 81 -4.200 -11.923 -4.807 464 HD11 ILE 81 HD11 ILE 81 -2.444 -15.143 -1.956 465 HD12 ILE 81 HD12 ILE 81 -1.695 -13.554 -2.110 466 HD13 ILE 81 HD13 ILE 81 -1.058 -14.928 -3.021 467 H HIS 82 H HIS 82 0.465 -12.054 -5.818 468 HA HIS 82 HA HIS 82 2.469 -13.822 -4.570 469 HB2 HIS 82 HB2 HIS 82 2.725 -11.016 -5.761 470 HB3 HIS 82 HB3 HIS 82 4.055 -11.929 -5.048 471 HD1 HIS 82 HD1 HIS 82 5.117 -13.778 -6.478 472 HD2 HIS 82 HD2 HIS 82 1.862 -11.939 -8.299 473 HE1 HIS 82 HE1 HIS 82 5.158 -14.547 -8.868 474 HE2 HIS 82 HE2 HIS 82 3.321 -13.239 -9.991 475 H GLY 83 H GLY 83 0.996 -10.612 -4.164 476 HA2 GLY 83 HA2 GLY 83 0.171 -9.910 -1.974 477 HA3 GLY 83 HA3 GLY 83 1.594 -10.667 -1.250 478 H THR 84 H THR 84 1.060 -8.499 -4.026 479 HA THR 84 HA THR 84 3.213 -6.715 -3.091 480 HB THR 84 HB THR 84 3.179 -5.793 -5.437 481 HG1 THR 84 HG1 THR 84 1.889 -6.684 -6.969 482 HG21 THR 84 HG21 THR 84 4.792 -7.556 -4.873 483 HG22 THR 84 HG22 THR 84 4.235 -7.735 -6.537 484 HG23 THR 84 HG23 THR 84 3.602 -8.798 -5.276 485 H ALA 85 H ALA 85 2.885 -4.510 -2.948 486 HA ALA 85 HA ALA 85 0.247 -3.347 -3.396 487 HB1 ALA 85 HB1 ALA 85 1.546 -3.337 -0.648 488 HB2 ALA 85 HB2 ALA 85 0.090 -4.225 -1.099 489 HB3 ALA 85 HB3 ALA 85 0.081 -2.460 -1.104 490 H ASP 86 H ASP 86 0.492 -1.374 -4.233 491 HA ASP 86 HA ASP 86 3.033 -0.029 -4.426 492 HB2 ASP 86 HB2 ASP 86 0.200 0.842 -5.176 493 HB3 ASP 86 HB3 ASP 86 1.629 1.823 -5.472 494 H ILE 87 H ILE 87 3.846 1.405 -2.977 495 HA ILE 87 HA ILE 87 2.178 2.208 -0.681 496 HB ILE 87 HB ILE 87 4.319 2.548 0.535 497 HG12 ILE 87 HG12 ILE 87 5.696 1.288 -1.887 498 HG13 ILE 87 HG13 ILE 87 5.797 2.994 -1.476 499 HG21 ILE 87 HG21 ILE 87 4.849 0.146 0.810 500 HG22 ILE 87 HG22 ILE 87 3.986 -0.219 -0.685 501 HG23 ILE 87 HG23 ILE 87 3.108 0.418 0.708 502 HD11 ILE 87 HD11 ILE 87 7.786 1.757 -0.805 503 HD12 ILE 87 HD12 ILE 87 6.809 0.723 0.236 504 HD13 ILE 87 HD13 ILE 87 6.959 2.446 0.592 505 H TYR 88 H TYR 88 1.949 4.304 -0.057 506 HA TYR 88 HA TYR 88 2.840 6.415 -1.927 507 HB2 TYR 88 HB2 TYR 88 -0.009 5.785 -1.065 508 HB3 TYR 88 HB3 TYR 88 0.438 7.364 -1.696 509 HD1 TYR 88 HD2 TYR 88 0.359 3.732 -2.585 510 HD2 TYR 88 HD1 TYR 88 0.481 7.736 -4.060 511 HE1 TYR 88 HE2 TYR 88 -0.069 2.916 -4.849 512 HE2 TYR 88 HE1 TYR 88 0.054 6.910 -6.332 513 HH TYR 88 HH TYR 88 0.257 4.882 -7.628 514 H LYS 89 H LYS 89 2.824 8.451 -1.181 515 HA LYS 89 HA LYS 89 2.695 8.980 1.720 516 HB2 LYS 89 HB2 LYS 89 4.335 10.243 -0.527 517 HB3 LYS 89 HB3 LYS 89 4.161 11.022 1.035 518 HG2 LYS 89 HG2 LYS 89 5.207 8.201 0.937 519 HG3 LYS 89 HG3 LYS 89 6.269 9.521 0.461 520 HD2 LYS 89 HD2 LYS 89 6.640 8.973 2.805 521 HD3 LYS 89 HD3 LYS 89 5.937 10.584 2.683 522 HE2 LYS 89 HE2 LYS 89 3.752 9.707 3.340 523 HE3 LYS 89 HE3 LYS 89 4.386 8.060 3.356 524 HZ1 LYS 89 HZ1 LYS 89 5.269 10.262 5.130 525 HZ2 LYS 89 HZ2 LYS 89 5.825 8.666 5.170 526 HZ3 LYS 89 HZ3 LYS 89 4.218 9.013 5.555 527 H LYS 90 H LYS 90 1.086 10.303 2.335 528 HA LYS 90 HA LYS 90 -0.791 11.385 0.503 529 HB2 LYS 90 HB2 LYS 90 -1.332 10.568 2.814 530 HB3 LYS 90 HB3 LYS 90 -0.509 11.977 3.475 531 HG2 LYS 90 HG2 LYS 90 -2.158 13.433 2.250 532 HG3 LYS 90 HG3 LYS 90 -3.006 11.980 1.740 533 HD2 LYS 90 HD2 LYS 90 -4.121 12.965 3.679 534 HD3 LYS 90 HD3 LYS 90 -3.431 11.400 4.110 535 HE2 LYS 90 HE2 LYS 90 -1.447 12.652 5.069 536 HE3 LYS 90 HE3 LYS 90 -2.350 14.148 4.809 537 HZ1 LYS 90 HZ1 LYS 90 -3.214 11.864 6.499 538 HZ2 LYS 90 HZ2 LYS 90 -4.080 13.298 6.266 539 HZ3 LYS 90 HZ3 LYS 90 -2.590 13.332 7.060 540 H LYS 91 H LYS 91 -0.428 13.120 -0.682 541 HA LYS 91 HA LYS 91 1.151 15.400 0.070 542 HB2 LYS 91 HB2 LYS 91 -0.950 15.003 -2.109 543 HB3 LYS 91 HB3 LYS 91 0.117 16.398 -1.993 544 HG2 LYS 91 HG2 LYS 91 2.041 15.105 -2.561 545 HG3 LYS 91 HG3 LYS 91 1.197 13.581 -2.275 546 HD2 LYS 91 HD2 LYS 91 1.531 14.050 -4.695 547 HD3 LYS 91 HD3 LYS 91 -0.173 13.895 -4.265 548 HE2 LYS 91 HE2 LYS 91 -0.411 16.348 -4.306 549 HE3 LYS 91 HE3 LYS 91 1.304 16.522 -4.686 550 HZ1 LYS 91 HZ1 LYS 91 -0.039 16.699 -6.669 551 HZ2 LYS 91 HZ2 LYS 91 -0.739 15.189 -6.383 552 HZ3 LYS 91 HZ3 LYS 91 0.907 15.299 -6.749 553 H LEU 92 H LEU 92 0.451 16.574 1.789 554 HA LEU 92 HA LEU 92 -2.293 16.856 2.578 555 HB2 LEU 92 HB2 LEU 92 0.244 18.269 3.485 556 HB3 LEU 92 HB3 LEU 92 -1.332 18.664 4.142 557 HG LEU 92 HG LEU 92 -1.506 16.265 4.964 558 HD11 LEU 92 HD11 LEU 92 1.432 16.121 4.225 559 HD12 LEU 92 HD12 LEU 92 0.124 15.180 3.505 560 HD13 LEU 92 HD13 LEU 92 0.549 14.939 5.196 561 HD21 LEU 92 HD21 LEU 92 -0.900 18.088 6.500 562 HD22 LEU 92 HD22 LEU 92 0.803 17.901 6.078 563 HD23 LEU 92 HD23 LEU 92 -0.046 16.604 6.922 564 H GLU 93 H GLU 93 -3.744 18.406 1.945 565 HA GLU 93 HA GLU 93 -2.929 20.374 -0.046 566 HB2 GLU 93 HB2 GLU 93 -5.187 20.550 -0.646 567 HB3 GLU 93 HB3 GLU 93 -5.033 18.870 -0.172 568 HG2 GLU 93 HG2 GLU 93 -7.004 19.333 0.881 569 HG3 GLU 93 HG3 GLU 93 -5.919 19.833 2.179 570 H HIS 94 H HIS 94 -3.938 22.656 0.212 571 HA HIS 94 HA HIS 94 -3.978 23.715 2.915 572 HB2 HIS 94 HB2 HIS 94 -1.909 25.079 2.688 573 HB3 HIS 94 HB3 HIS 94 -1.553 23.358 2.622 574 HD1 HIS 94 HD1 HIS 94 -1.124 26.476 0.707 575 HD2 HIS 94 HD2 HIS 94 -0.943 22.397 -0.063 576 HE1 HIS 94 HE1 HIS 94 0.110 26.257 -1.478 577 HE2 HIS 94 HE2 HIS 94 0.355 23.776 -1.829 578 H HIS 95 H HIS 95 -5.885 23.842 0.889 579 HA HIS 95 HA HIS 95 -5.929 26.740 0.266 580 HB2 HIS 95 HB2 HIS 95 -6.586 24.478 -1.672 581 HB3 HIS 95 HB3 HIS 95 -7.038 26.161 -1.949 582 HD1 HIS 95 HD1 HIS 95 -4.421 23.863 -2.761 583 HD2 HIS 95 HD2 HIS 95 -4.600 27.908 -1.837 584 HE1 HIS 95 HE1 HIS 95 -2.252 24.837 -3.573 585 HE2 HIS 95 HE2 HIS 95 -2.476 27.315 -3.183 586 H HIS 96 H HIS 96 -7.880 23.770 0.458 587 HA HIS 96 HA HIS 96 -10.032 23.314 0.864 588 HB2 HIS 96 HB2 HIS 96 -9.482 25.535 2.789 589 HB3 HIS 96 HB3 HIS 96 -11.178 25.186 2.514 590 HD1 HIS 96 HD1 HIS 96 -8.032 23.296 3.529 591 HD2 HIS 96 HD2 HIS 96 -12.153 23.186 4.061 592 HE1 HIS 96 HE1 HIS 96 -8.450 21.440 5.168 593 HE2 HIS 96 HE2 HIS 96 -10.951 21.313 5.393 594 H HIS 97 H HIS 97 -10.889 23.469 -1.151 595 HA HIS 97 HA HIS 97 -11.833 25.841 -2.422 596 HB2 HIS 97 HB2 HIS 97 -12.585 22.917 -2.832 597 HB3 HIS 97 HB3 HIS 97 -13.163 24.219 -3.869 598 HD1 HIS 97 HD1 HIS 97 -10.216 22.059 -3.235 599 HD2 HIS 97 HD2 HIS 97 -11.162 25.384 -5.535 600 HE1 HIS 97 HE1 HIS 97 -8.330 22.298 -4.865 601 HE2 HIS 97 HE2 HIS 97 -8.837 24.412 -6.132 602 H HIS 98 H HIS 98 -13.099 23.904 0.127 603 HA HIS 98 HA HIS 98 -15.498 25.636 0.290 604 HB2 HIS 98 HB2 HIS 98 -16.724 23.795 1.393 605 HB3 HIS 98 HB3 HIS 98 -16.203 23.301 -0.211 606 HD1 HIS 98 HD1 HIS 98 -15.386 22.728 3.449 607 HD2 HIS 98 HD2 HIS 98 -14.579 21.059 -0.275 608 HE1 HIS 98 HE1 HIS 98 -14.199 20.560 3.916 609 HE2 HIS 98 HE2 HIS 98 -13.633 19.622 1.651 610 H HIS 99 H HIS 99 -15.879 26.533 2.341 611 HA HIS 99 HA HIS 99 -13.850 26.153 4.437 612 HB2 HIS 99 HB2 HIS 99 -16.205 28.095 4.220 613 HB3 HIS 99 HB3 HIS 99 -15.145 28.000 5.622 614 HD1 HIS 99 HD1 HIS 99 -12.840 29.106 5.438 615 HD2 HIS 99 HD2 HIS 99 -15.022 29.245 1.907 616 HE1 HIS 99 HE1 HIS 99 -11.619 30.732 3.957 617 HE2 HIS 99 HE2 HIS 99 -13.045 30.910 1.891 Start of MODEL 18 1 H1 ALA 22 H1 ALA 22 1.040 3.214 8.483 2 H2 ALA 22 H2 ALA 22 0.284 1.790 8.994 3 H3 ALA 22 H3 ALA 22 -0.572 3.243 8.981 4 HA ALA 22 HA ALA 22 -0.470 3.380 6.623 5 HB1 ALA 22 HB1 ALA 22 1.002 0.725 6.771 6 HB2 ALA 22 HB2 ALA 22 1.709 2.277 6.318 7 HB3 ALA 22 HB3 ALA 22 0.482 1.536 5.291 8 H GLU 23 H GLU 23 -1.868 1.955 5.141 9 HA GLU 23 HA GLU 23 -3.565 -0.004 6.489 10 HB2 GLU 23 HB2 GLU 23 -5.667 1.249 6.051 11 HB3 GLU 23 HB3 GLU 23 -4.620 2.096 7.184 12 HG2 GLU 23 HG2 GLU 23 -3.887 3.625 5.412 13 HG3 GLU 23 HG3 GLU 23 -4.881 2.765 4.235 14 H ILE 24 H ILE 24 -4.699 -1.300 5.074 15 HA ILE 24 HA ILE 24 -3.783 -1.406 2.319 16 HB ILE 24 HB ILE 24 -5.738 -3.158 3.897 17 HG12 ILE 24 HG12 ILE 24 -3.345 -3.252 4.641 18 HG13 ILE 24 HG13 ILE 24 -3.939 -4.789 4.037 19 HG21 ILE 24 HG21 ILE 24 -6.327 -3.298 1.522 20 HG22 ILE 24 HG22 ILE 24 -5.591 -4.809 2.052 21 HG23 ILE 24 HG23 ILE 24 -4.653 -3.662 1.093 22 HD11 ILE 24 HD11 ILE 24 -2.153 -2.872 2.544 23 HD12 ILE 24 HD12 ILE 24 -2.748 -4.413 1.928 24 HD13 ILE 24 HD13 ILE 24 -1.665 -4.380 3.317 25 H MET 25 H MET 25 -4.871 -0.564 0.585 26 HA MET 25 HA MET 25 -7.814 -0.609 0.602 27 HB2 MET 25 HB2 MET 25 -6.203 1.820 -0.319 28 HB3 MET 25 HB3 MET 25 -7.898 1.570 -0.701 29 HG2 MET 25 HG2 MET 25 -8.133 1.408 1.929 30 HG3 MET 25 HG3 MET 25 -6.635 2.327 1.906 31 HE1 MET 25 HE1 MET 25 -7.290 4.015 -0.904 32 HE2 MET 25 HE2 MET 25 -6.488 4.731 0.496 33 HE3 MET 25 HE3 MET 25 -7.915 5.503 -0.196 34 H LYS 26 H LYS 26 -8.722 -0.490 -1.535 35 HA LYS 26 HA LYS 26 -7.412 -2.219 -3.442 36 HB2 LYS 26 HB2 LYS 26 -10.065 -0.709 -3.613 37 HB3 LYS 26 HB3 LYS 26 -9.553 -2.016 -4.680 38 HG2 LYS 26 HG2 LYS 26 -9.621 -3.611 -2.841 39 HG3 LYS 26 HG3 LYS 26 -10.006 -2.323 -1.694 40 HD2 LYS 26 HD2 LYS 26 -12.162 -1.935 -2.826 41 HD3 LYS 26 HD3 LYS 26 -11.771 -3.171 -4.027 42 HE2 LYS 26 HE2 LYS 26 -12.161 -3.650 -1.047 43 HE3 LYS 26 HE3 LYS 26 -13.311 -4.048 -2.323 44 HZ1 LYS 26 HZ1 LYS 26 -12.106 -5.999 -1.690 45 HZ2 LYS 26 HZ2 LYS 26 -10.620 -5.233 -1.941 46 HZ3 LYS 26 HZ3 LYS 26 -11.631 -5.563 -3.255 47 H LYS 27 H LYS 27 -6.916 -1.641 -5.634 48 HA LYS 27 HA LYS 27 -5.633 0.785 -6.108 49 HB2 LYS 27 HB2 LYS 27 -5.229 -1.324 -7.367 50 HB3 LYS 27 HB3 LYS 27 -6.785 -1.139 -8.167 51 HG2 LYS 27 HG2 LYS 27 -4.965 -0.467 -9.649 52 HG3 LYS 27 HG3 LYS 27 -5.985 0.923 -9.270 53 HD2 LYS 27 HD2 LYS 27 -4.327 1.804 -7.720 54 HD3 LYS 27 HD3 LYS 27 -3.365 0.331 -7.822 55 HE2 LYS 27 HE2 LYS 27 -2.304 2.094 -9.122 56 HE3 LYS 27 HE3 LYS 27 -2.893 0.842 -10.213 57 HZ1 LYS 27 HZ1 LYS 27 -3.357 3.043 -11.041 58 HZ2 LYS 27 HZ2 LYS 27 -4.236 3.419 -9.649 59 HZ3 LYS 27 HZ3 LYS 27 -4.796 2.228 -10.702 60 H THR 28 H THR 28 -8.823 -0.262 -7.288 61 HA THR 28 HA THR 28 -9.495 1.983 -8.806 62 HB THR 28 HB THR 28 -11.358 0.038 -7.383 63 HG1 THR 28 HG1 THR 28 -9.734 -0.137 -9.625 64 HG21 THR 28 HG21 THR 28 -11.928 1.768 -9.827 65 HG22 THR 28 HG22 THR 28 -12.581 2.053 -8.212 66 HG23 THR 28 HG23 THR 28 -13.025 0.595 -9.104 67 H ASP 29 H ASP 29 -10.257 1.241 -5.385 68 HA ASP 29 HA ASP 29 -11.863 3.578 -4.977 69 HB2 ASP 29 HB2 ASP 29 -12.136 1.541 -3.583 70 HB3 ASP 29 HB3 ASP 29 -10.528 1.781 -2.901 71 H PHE 30 H PHE 30 -8.494 2.732 -4.276 72 HA PHE 30 HA PHE 30 -7.738 5.021 -2.857 73 HB2 PHE 30 HB2 PHE 30 -6.267 3.123 -2.798 74 HB3 PHE 30 HB3 PHE 30 -6.114 3.085 -4.555 75 HD1 PHE 30 HD1 PHE 30 -5.398 5.274 -1.595 76 HD2 PHE 30 HD2 PHE 30 -4.289 4.183 -5.579 77 HE1 PHE 30 HE1 PHE 30 -3.476 6.788 -1.480 78 HE2 PHE 30 HE2 PHE 30 -2.362 5.693 -5.441 79 HZ PHE 30 HZ PHE 30 -1.966 6.990 -3.397 80 H ASP 31 H ASP 31 -7.741 4.433 -6.389 81 HA ASP 31 HA ASP 31 -6.053 6.502 -7.175 82 HB2 ASP 31 HB2 ASP 31 -8.332 5.230 -8.714 83 HB3 ASP 31 HB3 ASP 31 -7.195 6.363 -9.442 84 H LYS 32 H LYS 32 -9.372 6.732 -6.243 85 HA LYS 32 HA LYS 32 -10.263 9.151 -7.279 86 HB2 LYS 32 HB2 LYS 32 -10.735 8.069 -4.469 87 HB3 LYS 32 HB3 LYS 32 -11.742 9.264 -5.282 88 HG2 LYS 32 HG2 LYS 32 -12.468 7.617 -6.920 89 HG3 LYS 32 HG3 LYS 32 -11.342 6.421 -6.272 90 HD2 LYS 32 HD2 LYS 32 -12.599 6.476 -4.098 91 HD3 LYS 32 HD3 LYS 32 -13.761 7.587 -4.830 92 HE2 LYS 32 HE2 LYS 32 -14.433 5.869 -6.448 93 HE3 LYS 32 HE3 LYS 32 -13.199 4.763 -5.830 94 HZ1 LYS 32 HZ1 LYS 32 -15.410 4.295 -4.948 95 HZ2 LYS 32 HZ2 LYS 32 -15.473 5.838 -4.256 96 HZ3 LYS 32 HZ3 LYS 32 -14.329 4.719 -3.714 97 H VAL 33 H VAL 33 -8.111 8.573 -4.534 98 HA VAL 33 HA VAL 33 -7.755 11.485 -4.067 99 HB VAL 33 HB VAL 33 -6.935 10.902 -1.815 100 HG11 VAL 33 HG11 VAL 33 -9.352 11.324 -2.082 101 HG12 VAL 33 HG12 VAL 33 -9.061 10.145 -0.803 102 HG13 VAL 33 HG13 VAL 33 -9.632 9.608 -2.385 103 HG21 VAL 33 HG21 VAL 33 -7.081 8.576 -0.930 104 HG22 VAL 33 HG22 VAL 33 -5.933 8.690 -2.263 105 HG23 VAL 33 HG23 VAL 33 -7.532 7.999 -2.538 106 H ALA 34 H ALA 34 -6.299 9.135 -5.830 107 HA ALA 34 HA ALA 34 -3.624 8.996 -4.871 108 HB1 ALA 34 HB1 ALA 34 -4.535 7.352 -6.457 109 HB2 ALA 34 HB2 ALA 34 -3.053 8.073 -7.085 110 HB3 ALA 34 HB3 ALA 34 -4.621 8.590 -7.711 111 H SER 35 H SER 35 -5.279 11.405 -6.706 112 HA SER 35 HA SER 35 -3.239 12.787 -8.005 113 HB2 SER 35 HB2 SER 35 -5.766 13.931 -6.755 114 HB3 SER 35 HB3 SER 35 -4.829 14.654 -8.066 115 HG SER 35 HG SER 35 -6.753 13.377 -8.670 116 H GLU 36 H GLU 36 -4.083 12.737 -4.586 117 HA GLU 36 HA GLU 36 -1.950 14.731 -4.028 118 HB2 GLU 36 HB2 GLU 36 -4.546 14.150 -2.556 119 HB3 GLU 36 HB3 GLU 36 -3.206 14.983 -1.772 120 HG2 GLU 36 HG2 GLU 36 -4.687 15.911 -4.246 121 HG3 GLU 36 HG3 GLU 36 -4.803 16.608 -2.629 122 H TYR 37 H TYR 37 -1.765 11.785 -4.470 123 HA TYR 37 HA TYR 37 -0.147 11.272 -2.037 124 HB2 TYR 37 HB2 TYR 37 -1.941 9.334 -3.546 125 HB3 TYR 37 HB3 TYR 37 -0.542 8.749 -2.648 126 HD1 TYR 37 HD2 TYR 37 -3.458 11.089 -2.053 127 HD2 TYR 37 HD1 TYR 37 -0.966 8.002 -0.458 128 HE1 TYR 37 HE2 TYR 37 -4.756 11.114 0.024 129 HE2 TYR 37 HE1 TYR 37 -2.286 8.022 1.609 130 HH TYR 37 HH TYR 37 -5.290 9.593 1.881 131 H THR 38 H THR 38 1.843 10.304 -2.394 132 HA THR 38 HA THR 38 2.922 10.502 -5.141 133 HB THR 38 HB THR 38 5.148 10.914 -3.953 134 HG1 THR 38 HG1 THR 38 3.540 11.471 -1.667 135 HG21 THR 38 HG21 THR 38 4.735 13.294 -3.469 136 HG22 THR 38 HG22 THR 38 2.996 12.999 -3.433 137 HG23 THR 38 HG23 THR 38 3.894 12.803 -4.939 138 H LYS 39 H LYS 39 3.454 8.572 -5.967 139 HA LYS 39 HA LYS 39 3.557 6.157 -4.443 140 HB2 LYS 39 HB2 LYS 39 2.904 6.379 -6.905 141 HB3 LYS 39 HB3 LYS 39 4.615 6.594 -7.274 142 HG2 LYS 39 HG2 LYS 39 5.046 4.345 -6.204 143 HG3 LYS 39 HG3 LYS 39 3.295 4.153 -6.043 144 HD2 LYS 39 HD2 LYS 39 3.103 4.406 -8.547 145 HD3 LYS 39 HD3 LYS 39 4.870 4.414 -8.630 146 HE2 LYS 39 HE2 LYS 39 3.102 2.159 -7.646 147 HE3 LYS 39 HE3 LYS 39 4.074 2.184 -9.116 148 HZ1 LYS 39 HZ1 LYS 39 5.098 2.212 -6.337 149 HZ2 LYS 39 HZ2 LYS 39 6.059 2.284 -7.725 150 HZ3 LYS 39 HZ3 LYS 39 5.129 0.908 -7.408 151 H ILE 40 H ILE 40 5.214 5.709 -3.099 152 HA ILE 40 HA ILE 40 7.852 6.924 -3.647 153 HB ILE 40 HB ILE 40 8.397 6.404 -1.253 154 HG12 ILE 40 HG12 ILE 40 5.438 5.653 -1.031 155 HG13 ILE 40 HG13 ILE 40 6.781 4.524 -0.891 156 HG21 ILE 40 HG21 ILE 40 7.034 8.240 -0.301 157 HG22 ILE 40 HG22 ILE 40 5.932 8.144 -1.676 158 HG23 ILE 40 HG23 ILE 40 7.607 8.638 -1.923 159 HD11 ILE 40 HD11 ILE 40 6.150 6.801 0.992 160 HD12 ILE 40 HD12 ILE 40 7.534 5.711 1.135 161 HD13 ILE 40 HD13 ILE 40 5.895 5.079 1.280 162 H GLY 41 H GLY 41 6.246 3.851 -3.624 163 HA2 GLY 41 HA2 GLY 41 8.399 2.518 -4.869 164 HA3 GLY 41 HA3 GLY 41 8.405 2.101 -3.160 165 H THR 42 H THR 42 8.174 0.016 -4.545 166 HA THR 42 HA THR 42 5.361 -0.831 -4.155 167 HB THR 42 HB THR 42 7.257 -2.136 -6.183 168 HG1 THR 42 HG1 THR 42 5.246 -0.928 -7.412 169 HG21 THR 42 HG21 THR 42 5.395 -3.569 -5.286 170 HG22 THR 42 HG22 THR 42 5.221 -3.233 -7.009 171 HG23 THR 42 HG23 THR 42 4.231 -2.357 -5.844 172 H ILE 43 H ILE 43 5.183 -2.488 -2.713 173 HA ILE 43 HA ILE 43 7.590 -4.093 -2.016 174 HB ILE 43 HB ILE 43 6.568 -4.460 0.242 175 HG12 ILE 43 HG12 ILE 43 4.539 -2.349 -0.643 176 HG13 ILE 43 HG13 ILE 43 4.188 -4.046 -0.336 177 HG21 ILE 43 HG21 ILE 43 7.044 -1.519 -0.408 178 HG22 ILE 43 HG22 ILE 43 8.289 -2.709 -0.030 179 HG23 ILE 43 HG23 ILE 43 7.119 -2.241 1.203 180 HD11 ILE 43 HD11 ILE 43 3.446 -2.696 1.494 181 HD12 ILE 43 HD12 ILE 43 5.049 -1.991 1.682 182 HD13 ILE 43 HD13 ILE 43 4.792 -3.704 2.029 183 H SER 44 H SER 44 7.075 -6.341 -1.349 184 HA SER 44 HA SER 44 4.564 -7.493 -2.214 185 HB2 SER 44 HB2 SER 44 5.716 -7.203 -4.386 186 HB3 SER 44 HB3 SER 44 7.103 -8.113 -3.791 187 HG SER 44 HG SER 44 4.696 -9.438 -3.526 188 H THR 45 H THR 45 4.183 -9.453 -1.331 189 HA THR 45 HA THR 45 5.936 -10.591 0.628 190 HB THR 45 HB THR 45 4.180 -12.404 0.734 191 HG1 THR 45 HG1 THR 45 3.411 -12.499 -1.365 192 HG21 THR 45 HG21 THR 45 3.028 -9.580 0.745 193 HG22 THR 45 HG22 THR 45 3.868 -10.351 2.094 194 HG23 THR 45 HG23 THR 45 2.321 -10.989 1.542 195 H THR 46 H THR 46 6.989 -12.694 0.498 196 HA THR 46 HA THR 46 8.106 -13.339 -2.078 197 HB THR 46 HB THR 46 8.400 -14.877 0.546 198 HG1 THR 46 HG1 THR 46 10.511 -13.330 -0.191 199 HG21 THR 46 HG21 THR 46 10.172 -14.836 -1.935 200 HG22 THR 46 HG22 THR 46 9.133 -16.177 -1.450 201 HG23 THR 46 HG23 THR 46 10.510 -15.719 -0.445 202 H GLY 47 H GLY 47 6.154 -13.777 -3.200 203 HA2 GLY 47 HA2 GLY 47 4.818 -15.230 -4.342 204 HA3 GLY 47 HA3 GLY 47 5.563 -16.551 -3.460 205 H GLU 48 H GLU 48 4.304 -17.623 -2.071 206 HA GLU 48 HA GLU 48 1.517 -16.778 -1.792 207 HB2 GLU 48 HB2 GLU 48 1.093 -19.113 -1.197 208 HB3 GLU 48 HB3 GLU 48 2.025 -19.035 -2.685 209 HG2 GLU 48 HG2 GLU 48 4.074 -19.636 -1.471 210 HG3 GLU 48 HG3 GLU 48 3.200 -19.621 0.058 211 H MET 49 H MET 49 0.464 -16.545 0.133 212 HA MET 49 HA MET 49 1.182 -17.679 2.596 213 HB2 MET 49 HB2 MET 49 1.648 -15.712 3.989 214 HB3 MET 49 HB3 MET 49 2.878 -15.881 2.754 215 HG2 MET 49 HG2 MET 49 2.030 -14.021 1.524 216 HG3 MET 49 HG3 MET 49 0.554 -13.976 2.492 217 HE1 MET 49 HE1 MET 49 4.696 -12.896 4.271 218 HE2 MET 49 HE2 MET 49 4.493 -13.472 2.616 219 HE3 MET 49 HE3 MET 49 4.189 -14.558 3.974 220 H SER 50 H SER 50 -0.304 -16.777 4.406 221 HA SER 50 HA SER 50 -3.004 -16.700 3.501 222 HB2 SER 50 HB2 SER 50 -3.462 -16.270 5.996 223 HB3 SER 50 HB3 SER 50 -2.560 -17.741 5.626 224 HG SER 50 HG SER 50 -1.490 -15.262 6.513 225 HA PRO 51 HA PRO 51 -3.104 -12.461 2.212 226 HB2 PRO 51 HB2 PRO 51 -5.831 -11.952 2.313 227 HB3 PRO 51 HB3 PRO 51 -5.066 -12.961 1.066 228 HG2 PRO 51 HG2 PRO 51 -6.395 -13.825 3.621 229 HG3 PRO 51 HG3 PRO 51 -6.635 -14.446 1.971 230 HD2 PRO 51 HD2 PRO 51 -5.079 -15.774 3.656 231 HD3 PRO 51 HD3 PRO 51 -4.572 -15.587 1.963 232 H LEU 52 H LEU 52 -4.564 -13.194 5.355 233 HA LEU 52 HA LEU 52 -4.916 -10.446 6.141 234 HB2 LEU 52 HB2 LEU 52 -4.821 -12.969 7.845 235 HB3 LEU 52 HB3 LEU 52 -5.159 -11.370 8.479 236 HG LEU 52 HG LEU 52 -7.265 -12.442 8.291 237 HD11 LEU 52 HD11 LEU 52 -7.320 -10.126 7.524 238 HD12 LEU 52 HD12 LEU 52 -8.526 -11.100 6.689 239 HD13 LEU 52 HD13 LEU 52 -7.034 -10.649 5.861 240 HD21 LEU 52 HD21 LEU 52 -6.635 -14.310 6.849 241 HD22 LEU 52 HD22 LEU 52 -6.592 -13.240 5.445 242 HD23 LEU 52 HD23 LEU 52 -8.119 -13.546 6.280 243 H ASP 53 H ASP 53 -2.486 -12.960 6.943 244 HA ASP 53 HA ASP 53 -0.701 -11.275 8.362 245 HB2 ASP 53 HB2 ASP 53 -0.178 -13.844 6.811 246 HB3 ASP 53 HB3 ASP 53 1.023 -13.058 7.835 247 H ALA 54 H ALA 54 -1.055 -12.016 4.923 248 HA ALA 54 HA ALA 54 1.204 -10.717 3.887 249 HB1 ALA 54 HB1 ALA 54 -1.542 -10.974 2.602 250 HB2 ALA 54 HB2 ALA 54 -0.258 -12.178 2.532 251 HB3 ALA 54 HB3 ALA 54 -0.032 -10.608 1.760 252 H ARG 55 H ARG 55 -2.064 -9.488 4.558 253 HA ARG 55 HA ARG 55 -1.668 -6.832 3.675 254 HB2 ARG 55 HB2 ARG 55 -3.683 -8.108 5.547 255 HB3 ARG 55 HB3 ARG 55 -3.704 -6.374 5.238 256 HG2 ARG 55 HG2 ARG 55 -4.047 -6.794 2.828 257 HG3 ARG 55 HG3 ARG 55 -4.014 -8.537 3.122 258 HD2 ARG 55 HD2 ARG 55 -6.319 -7.657 2.903 259 HD3 ARG 55 HD3 ARG 55 -6.035 -8.378 4.490 260 HE ARG 55 HE ARG 55 -5.489 -5.748 4.896 261 HH11 ARG 55 HH11 ARG 55 -8.295 -7.361 3.575 262 HH12 ARG 55 HH12 ARG 55 -9.390 -6.141 4.116 263 HH21 ARG 55 HH21 ARG 55 -6.936 -4.172 5.614 264 HH22 ARG 55 HH22 ARG 55 -8.623 -4.340 5.267 265 H GLU 56 H GLU 56 -1.293 -8.356 6.864 266 HA GLU 56 HA GLU 56 -0.715 -5.971 8.339 267 HB2 GLU 56 HB2 GLU 56 -0.094 -8.901 8.907 268 HB3 GLU 56 HB3 GLU 56 0.132 -7.604 10.078 269 HG2 GLU 56 HG2 GLU 56 -2.260 -7.153 10.108 270 HG3 GLU 56 HG3 GLU 56 -2.529 -8.334 8.828 271 H ASP 57 H ASP 57 1.212 -8.324 6.579 272 HA ASP 57 HA ASP 57 3.816 -7.564 7.424 273 HB2 ASP 57 HB2 ASP 57 3.320 -9.725 6.329 274 HB3 ASP 57 HB3 ASP 57 2.847 -8.898 4.851 275 H LEU 58 H LEU 58 1.867 -6.775 4.597 276 HA LEU 58 HA LEU 58 3.687 -5.004 3.361 277 HB2 LEU 58 HB2 LEU 58 0.684 -5.311 2.990 278 HB3 LEU 58 HB3 LEU 58 1.728 -4.368 1.938 279 HG LEU 58 HG LEU 58 1.917 -7.386 2.330 280 HD11 LEU 58 HD11 LEU 58 -0.109 -6.787 1.107 281 HD12 LEU 58 HD12 LEU 58 1.048 -7.600 0.058 282 HD13 LEU 58 HD13 LEU 58 0.843 -5.852 -0.048 283 HD21 LEU 58 HD21 LEU 58 3.447 -5.632 0.377 284 HD22 LEU 58 HD22 LEU 58 3.515 -7.395 0.465 285 HD23 LEU 58 HD23 LEU 58 4.121 -6.426 1.805 286 H ILE 59 H ILE 59 0.874 -4.444 5.518 287 HA ILE 59 HA ILE 59 0.944 -1.623 5.597 288 HB ILE 59 HB ILE 59 0.008 -3.670 7.650 289 HG12 ILE 59 HG12 ILE 59 -1.468 -1.581 5.981 290 HG13 ILE 59 HG13 ILE 59 -1.445 -3.319 5.690 291 HG21 ILE 59 HG21 ILE 59 -0.911 -1.859 9.085 292 HG22 ILE 59 HG22 ILE 59 -0.093 -0.653 8.090 293 HG23 ILE 59 HG23 ILE 59 0.850 -1.812 9.027 294 HD11 ILE 59 HD11 ILE 59 -2.702 -1.910 8.041 295 HD12 ILE 59 HD12 ILE 59 -2.637 -3.661 7.827 296 HD13 ILE 59 HD13 ILE 59 -3.536 -2.662 6.683 297 H LYS 60 H LYS 60 2.656 -4.036 7.588 298 HA LYS 60 HA LYS 60 3.773 -2.227 9.445 299 HB2 LYS 60 HB2 LYS 60 3.559 -4.842 9.551 300 HB3 LYS 60 HB3 LYS 60 5.093 -4.873 8.698 301 HG2 LYS 60 HG2 LYS 60 5.415 -3.102 10.947 302 HG3 LYS 60 HG3 LYS 60 4.582 -4.535 11.529 303 HD2 LYS 60 HD2 LYS 60 6.958 -4.837 11.841 304 HD3 LYS 60 HD3 LYS 60 6.425 -5.948 10.577 305 HE2 LYS 60 HE2 LYS 60 7.373 -4.542 8.853 306 HE3 LYS 60 HE3 LYS 60 7.703 -3.246 10.006 307 HZ1 LYS 60 HZ1 LYS 60 8.955 -5.930 10.057 308 HZ2 LYS 60 HZ2 LYS 60 9.324 -4.621 11.071 309 HZ3 LYS 60 HZ3 LYS 60 9.657 -4.533 9.417 310 H LYS 61 H LYS 61 5.235 -3.810 6.597 311 HA LYS 61 HA LYS 61 7.765 -2.544 6.719 312 HB2 LYS 61 HB2 LYS 61 6.275 -3.893 4.436 313 HB3 LYS 61 HB3 LYS 61 7.926 -3.303 4.269 314 HG2 LYS 61 HG2 LYS 61 8.737 -4.855 5.932 315 HG3 LYS 61 HG3 LYS 61 7.093 -5.328 6.373 316 HD2 LYS 61 HD2 LYS 61 6.761 -6.384 4.199 317 HD3 LYS 61 HD3 LYS 61 8.339 -5.821 3.636 318 HE2 LYS 61 HE2 LYS 61 9.488 -7.279 5.189 319 HE3 LYS 61 HE3 LYS 61 7.980 -7.684 6.013 320 HZ1 LYS 61 HZ1 LYS 61 8.547 -8.356 3.184 321 HZ2 LYS 61 HZ2 LYS 61 7.229 -8.866 4.119 322 HZ3 LYS 61 HZ3 LYS 61 8.788 -9.406 4.486 323 H ALA 62 H ALA 62 4.812 -1.728 4.860 324 HA ALA 62 HA ALA 62 5.856 0.526 3.492 325 HB1 ALA 62 HB1 ALA 62 3.526 1.154 3.085 326 HB2 ALA 62 HB2 ALA 62 2.984 0.011 4.319 327 HB3 ALA 62 HB3 ALA 62 3.755 -0.578 2.846 328 H ASP 63 H ASP 63 4.489 0.148 6.731 329 HA ASP 63 HA ASP 63 4.180 2.941 7.280 330 HB2 ASP 63 HB2 ASP 63 3.007 1.054 8.544 331 HB3 ASP 63 HB3 ASP 63 4.535 0.732 9.360 332 H GLU 64 H GLU 64 6.720 0.533 7.917 333 HA GLU 64 HA GLU 64 8.669 2.141 9.141 334 HB2 GLU 64 HB2 GLU 64 9.115 -0.109 7.126 335 HB3 GLU 64 HB3 GLU 64 10.328 0.525 8.225 336 HG2 GLU 64 HG2 GLU 64 7.776 -0.794 9.167 337 HG3 GLU 64 HG3 GLU 64 9.264 -1.686 8.876 338 H LYS 65 H LYS 65 7.874 1.671 5.725 339 HA LYS 65 HA LYS 65 9.872 3.446 4.648 340 HB2 LYS 65 HB2 LYS 65 7.321 2.339 3.395 341 HB3 LYS 65 HB3 LYS 65 8.609 3.149 2.512 342 HG2 LYS 65 HG2 LYS 65 8.999 0.574 4.070 343 HG3 LYS 65 HG3 LYS 65 8.639 0.628 2.347 344 HD2 LYS 65 HD2 LYS 65 11.075 1.940 3.621 345 HD3 LYS 65 HD3 LYS 65 11.092 0.332 2.896 346 HE2 LYS 65 HE2 LYS 65 10.449 1.309 0.716 347 HE3 LYS 65 HE3 LYS 65 10.412 2.913 1.444 348 HZ1 LYS 65 HZ1 LYS 65 12.804 1.183 1.233 349 HZ2 LYS 65 HZ2 LYS 65 12.763 2.745 1.873 350 HZ3 LYS 65 HZ3 LYS 65 12.443 2.496 0.233 351 H GLY 66 H GLY 66 6.962 4.107 6.305 352 HA2 GLY 66 HA2 GLY 66 6.083 6.168 6.885 353 HA3 GLY 66 HA3 GLY 66 7.181 6.948 5.761 354 H ALA 67 H ALA 67 5.168 4.388 4.579 355 HA ALA 67 HA ALA 67 3.753 6.162 2.759 356 HB1 ALA 67 HB1 ALA 67 2.952 4.078 1.725 357 HB2 ALA 67 HB2 ALA 67 3.650 3.136 3.047 358 HB3 ALA 67 HB3 ALA 67 4.702 4.032 1.951 359 H ASP 68 H ASP 68 1.652 6.712 2.880 360 HA ASP 68 HA ASP 68 0.118 6.267 5.280 361 HB2 ASP 68 HB2 ASP 68 -0.571 7.626 2.637 362 HB3 ASP 68 HB3 ASP 68 -1.663 7.573 4.019 363 H VAL 69 H VAL 69 -0.256 5.280 1.836 364 HA VAL 69 HA VAL 69 -2.227 3.228 2.732 365 HB VAL 69 HB VAL 69 -2.375 4.780 0.096 366 HG11 VAL 69 HG11 VAL 69 -3.204 2.463 -0.171 367 HG12 VAL 69 HG12 VAL 69 -4.544 3.604 -0.247 368 HG13 VAL 69 HG13 VAL 69 -4.274 2.661 1.221 369 HG21 VAL 69 HG21 VAL 69 -3.053 6.191 2.010 370 HG22 VAL 69 HG22 VAL 69 -4.192 4.953 2.545 371 HG23 VAL 69 HG23 VAL 69 -4.449 5.786 1.010 372 H VAL 70 H VAL 70 -1.915 1.257 2.103 373 HA VAL 70 HA VAL 70 0.209 0.467 0.226 374 HB VAL 70 HB VAL 70 -1.322 -1.384 2.122 375 HG11 VAL 70 HG11 VAL 70 1.443 -1.606 0.869 376 HG12 VAL 70 HG12 VAL 70 -0.006 -2.482 0.374 377 HG13 VAL 70 HG13 VAL 70 0.708 -2.787 1.955 378 HG21 VAL 70 HG21 VAL 70 -0.422 0.380 3.565 379 HG22 VAL 70 HG22 VAL 70 1.183 0.174 2.864 380 HG23 VAL 70 HG23 VAL 70 0.464 -1.126 3.816 381 H VAL 71 H VAL 71 -0.579 0.035 -1.779 382 HA VAL 71 HA VAL 71 -3.501 -0.239 -2.135 383 HB VAL 71 HB VAL 71 -1.384 0.718 -4.117 384 HG11 VAL 71 HG11 VAL 71 -3.389 -0.125 -5.246 385 HG12 VAL 71 HG12 VAL 71 -3.300 1.629 -5.396 386 HG13 VAL 71 HG13 VAL 71 -4.420 0.899 -4.244 387 HG21 VAL 71 HG21 VAL 71 -1.507 2.229 -2.166 388 HG22 VAL 71 HG22 VAL 71 -3.250 2.398 -2.390 389 HG23 VAL 71 HG23 VAL 71 -2.138 3.009 -3.616 390 H LEU 72 H LEU 72 -4.084 -2.316 -2.410 391 HA LEU 72 HA LEU 72 -2.426 -4.384 -3.488 392 HB2 LEU 72 HB2 LEU 72 -5.432 -4.329 -3.007 393 HB3 LEU 72 HB3 LEU 72 -4.551 -5.759 -3.518 394 HG LEU 72 HG LEU 72 -4.235 -4.318 -0.849 395 HD11 LEU 72 HD11 LEU 72 -5.354 -7.073 -1.482 396 HD12 LEU 72 HD12 LEU 72 -6.291 -5.655 -1.004 397 HD13 LEU 72 HD13 LEU 72 -5.150 -6.373 0.128 398 HD21 LEU 72 HD21 LEU 72 -2.756 -6.785 -1.845 399 HD22 LEU 72 HD22 LEU 72 -2.684 -6.134 -0.207 400 HD23 LEU 72 HD23 LEU 72 -2.044 -5.195 -1.554 401 H THR 73 H THR 73 -1.794 -4.325 -5.554 402 HA THR 73 HA THR 73 -3.736 -3.753 -7.716 403 HB THR 73 HB THR 73 -1.649 -3.762 -9.187 404 HG1 THR 73 HG1 THR 73 0.064 -3.276 -7.115 405 HG21 THR 73 HG21 THR 73 -0.903 -1.517 -8.437 406 HG22 THR 73 HG22 THR 73 -1.738 -1.748 -6.901 407 HG23 THR 73 HG23 THR 73 -2.664 -1.650 -8.403 408 H SER 74 H SER 74 -1.989 -6.362 -6.187 409 HA SER 74 HA SER 74 -2.656 -8.383 -8.106 410 HB2 SER 74 HB2 SER 74 -2.194 -8.570 -5.094 411 HB3 SER 74 HB3 SER 74 -2.377 -9.963 -6.162 412 HG SER 74 HG SER 74 -0.531 -8.291 -7.157 413 H GLY 75 H GLY 75 -4.738 -8.315 -8.809 414 HA2 GLY 75 HA2 GLY 75 -7.061 -7.476 -7.549 415 HA3 GLY 75 HA3 GLY 75 -7.000 -8.638 -8.871 416 H GLN 76 H GLN 76 -7.638 -8.187 -5.566 417 HA GLN 76 HA GLN 76 -6.646 -10.546 -4.430 418 HB2 GLN 76 HB2 GLN 76 -7.177 -8.440 -3.170 419 HB3 GLN 76 HB3 GLN 76 -8.894 -8.799 -3.329 420 HG2 GLN 76 HG2 GLN 76 -8.543 -10.908 -2.058 421 HG3 GLN 76 HG3 GLN 76 -6.841 -10.492 -1.869 422 HE21 GLN 76 HE21 GLN 76 -8.812 -10.951 0.205 423 HE22 GLN 76 HE22 GLN 76 -8.884 -9.506 1.148 424 H THR 77 H THR 77 -7.299 -12.271 -5.688 425 HA THR 77 HA THR 77 -10.048 -13.238 -5.494 426 HB THR 77 HB THR 77 -8.789 -13.752 -7.551 427 HG1 THR 77 HG1 THR 77 -10.191 -15.438 -6.269 428 HG21 THR 77 HG21 THR 77 -6.490 -13.802 -6.645 429 HG22 THR 77 HG22 THR 77 -6.848 -15.257 -7.575 430 HG23 THR 77 HG23 THR 77 -6.850 -15.319 -5.811 431 H GLU 78 H GLU 78 -7.195 -13.180 -3.654 432 HA GLU 78 HA GLU 78 -6.509 -13.969 -1.684 433 HB2 GLU 78 HB2 GLU 78 -8.751 -13.799 -0.816 434 HB3 GLU 78 HB3 GLU 78 -9.238 -15.296 -1.582 435 HG2 GLU 78 HG2 GLU 78 -7.053 -15.426 0.468 436 HG3 GLU 78 HG3 GLU 78 -8.690 -15.116 1.032 437 H ASN 79 H ASN 79 -8.148 -16.635 -3.439 438 HA ASN 79 HA ASN 79 -6.926 -18.820 -2.359 439 HB2 ASN 79 HB2 ASN 79 -8.867 -18.950 -3.850 440 HB3 ASN 79 HB3 ASN 79 -7.895 -18.432 -5.216 441 HD21 ASN 79 HD21 ASN 79 -8.559 -21.073 -3.011 442 HD22 ASN 79 HD22 ASN 79 -7.827 -22.315 -3.966 443 H LYS 80 H LYS 80 -5.747 -16.881 -5.088 444 HA LYS 80 HA LYS 80 -3.040 -17.899 -4.701 445 HB2 LYS 80 HB2 LYS 80 -4.053 -19.483 -6.333 446 HB3 LYS 80 HB3 LYS 80 -4.467 -18.136 -7.391 447 HG2 LYS 80 HG2 LYS 80 -2.095 -17.642 -7.741 448 HG3 LYS 80 HG3 LYS 80 -1.642 -18.915 -6.604 449 HD2 LYS 80 HD2 LYS 80 -2.680 -20.608 -8.114 450 HD3 LYS 80 HD3 LYS 80 -3.071 -19.325 -9.264 451 HE2 LYS 80 HE2 LYS 80 -0.673 -18.861 -9.592 452 HE3 LYS 80 HE3 LYS 80 -0.258 -20.073 -8.377 453 HZ1 LYS 80 HZ1 LYS 80 -1.638 -20.616 -10.947 454 HZ2 LYS 80 HZ2 LYS 80 -1.212 -21.773 -9.790 455 HZ3 LYS 80 HZ3 LYS 80 -0.007 -20.915 -10.616 456 H ILE 81 H ILE 81 -2.398 -15.861 -4.104 457 HA ILE 81 HA ILE 81 -2.122 -13.909 -6.293 458 HB ILE 81 HB ILE 81 -2.201 -12.054 -4.431 459 HG12 ILE 81 HG12 ILE 81 -4.015 -12.629 -2.628 460 HG13 ILE 81 HG13 ILE 81 -3.658 -14.313 -2.971 461 HG21 ILE 81 HG21 ILE 81 -3.827 -12.202 -6.263 462 HG22 ILE 81 HG22 ILE 81 -4.611 -11.694 -4.769 463 HG23 ILE 81 HG23 ILE 81 -4.794 -13.355 -5.338 464 HD11 ILE 81 HD11 ILE 81 -2.553 -13.478 -0.961 465 HD12 ILE 81 HD12 ILE 81 -1.672 -12.294 -1.929 466 HD13 ILE 81 HD13 ILE 81 -1.396 -14.020 -2.173 467 H HIS 82 H HIS 82 -0.143 -12.999 -6.509 468 HA HIS 82 HA HIS 82 2.077 -14.136 -5.018 469 HB2 HIS 82 HB2 HIS 82 3.522 -12.831 -6.601 470 HB3 HIS 82 HB3 HIS 82 2.392 -13.901 -7.410 471 HD1 HIS 82 HD1 HIS 82 1.163 -12.874 -9.315 472 HD2 HIS 82 HD2 HIS 82 2.509 -10.001 -6.626 473 HE1 HIS 82 HE1 HIS 82 0.657 -10.653 -10.384 474 HE2 HIS 82 HE2 HIS 82 1.474 -8.929 -8.737 475 H GLY 83 H GLY 83 0.188 -11.232 -4.954 476 HA2 GLY 83 HA2 GLY 83 -0.091 -9.801 -3.194 477 HA3 GLY 83 HA3 GLY 83 1.183 -10.641 -2.332 478 H THR 84 H THR 84 0.905 -8.549 -5.232 479 HA THR 84 HA THR 84 3.140 -6.878 -4.265 480 HB THR 84 HB THR 84 2.857 -5.723 -6.578 481 HG1 THR 84 HG1 THR 84 1.050 -6.420 -7.491 482 HG21 THR 84 HG21 THR 84 4.755 -7.209 -6.111 483 HG22 THR 84 HG22 THR 84 4.187 -7.421 -7.766 484 HG23 THR 84 HG23 THR 84 3.776 -8.618 -6.536 485 H ALA 85 H ALA 85 2.749 -4.947 -3.448 486 HA ALA 85 HA ALA 85 0.228 -3.518 -3.950 487 HB1 ALA 85 HB1 ALA 85 -0.039 -4.697 -1.800 488 HB2 ALA 85 HB2 ALA 85 0.030 -2.951 -1.562 489 HB3 ALA 85 HB3 ALA 85 1.441 -3.949 -1.193 490 H ASP 86 H ASP 86 0.586 -1.476 -4.471 491 HA ASP 86 HA ASP 86 3.325 -0.396 -4.403 492 HB2 ASP 86 HB2 ASP 86 0.795 0.640 -5.772 493 HB3 ASP 86 HB3 ASP 86 2.412 1.318 -5.962 494 H ILE 87 H ILE 87 3.892 1.353 -3.138 495 HA ILE 87 HA ILE 87 1.888 2.068 -1.075 496 HB ILE 87 HB ILE 87 3.802 2.427 0.458 497 HG12 ILE 87 HG12 ILE 87 5.539 1.285 -1.790 498 HG13 ILE 87 HG13 ILE 87 5.582 2.951 -1.232 499 HG21 ILE 87 HG21 ILE 87 4.331 0.025 0.780 500 HG22 ILE 87 HG22 ILE 87 3.703 -0.326 -0.831 501 HG23 ILE 87 HG23 ILE 87 2.622 0.279 0.426 502 HD11 ILE 87 HD11 ILE 87 6.361 0.523 0.380 503 HD12 ILE 87 HD12 ILE 87 6.414 2.195 0.945 504 HD13 ILE 87 HD13 ILE 87 7.456 1.676 -0.380 505 H TYR 88 H TYR 88 1.492 4.089 -0.512 506 HA TYR 88 HA TYR 88 2.697 6.304 -2.063 507 HB2 TYR 88 HB2 TYR 88 -0.262 5.679 -1.680 508 HB3 TYR 88 HB3 TYR 88 0.326 7.243 -2.227 509 HD1 TYR 88 HD2 TYR 88 0.489 3.590 -3.152 510 HD2 TYR 88 HD1 TYR 88 0.504 7.629 -4.560 511 HE1 TYR 88 HE2 TYR 88 0.360 2.782 -5.463 512 HE2 TYR 88 HE1 TYR 88 0.362 6.813 -6.874 513 HH TYR 88 HH TYR 88 0.949 4.731 -8.136 514 H LYS 89 H LYS 89 2.724 8.258 -1.092 515 HA LYS 89 HA LYS 89 2.076 8.428 1.802 516 HB2 LYS 89 HB2 LYS 89 4.543 8.240 1.222 517 HB3 LYS 89 HB3 LYS 89 4.408 9.746 0.313 518 HG2 LYS 89 HG2 LYS 89 3.693 10.887 2.427 519 HG3 LYS 89 HG3 LYS 89 3.993 9.382 3.298 520 HD2 LYS 89 HD2 LYS 89 6.058 11.023 1.786 521 HD3 LYS 89 HD3 LYS 89 5.871 10.929 3.530 522 HE2 LYS 89 HE2 LYS 89 6.418 8.486 3.407 523 HE3 LYS 89 HE3 LYS 89 6.750 8.693 1.685 524 HZ1 LYS 89 HZ1 LYS 89 8.759 8.790 3.021 525 HZ2 LYS 89 HZ2 LYS 89 8.144 10.101 3.894 526 HZ3 LYS 89 HZ3 LYS 89 8.483 10.267 2.246 527 H LYS 90 H LYS 90 0.974 10.305 2.431 528 HA LYS 90 HA LYS 90 -0.457 11.630 0.303 529 HB2 LYS 90 HB2 LYS 90 -1.564 10.781 2.369 530 HB3 LYS 90 HB3 LYS 90 -0.723 11.993 3.317 531 HG2 LYS 90 HG2 LYS 90 -1.910 13.780 2.102 532 HG3 LYS 90 HG3 LYS 90 -2.692 12.587 1.082 533 HD2 LYS 90 HD2 LYS 90 -3.978 11.718 2.914 534 HD3 LYS 90 HD3 LYS 90 -3.029 12.615 4.104 535 HE2 LYS 90 HE2 LYS 90 -4.772 13.930 1.992 536 HE3 LYS 90 HE3 LYS 90 -5.291 13.597 3.647 537 HZ1 LYS 90 HZ1 LYS 90 -4.496 15.862 3.403 538 HZ2 LYS 90 HZ2 LYS 90 -2.987 15.306 2.881 539 HZ3 LYS 90 HZ3 LYS 90 -3.502 14.991 4.459 540 H LYS 91 H LYS 91 -0.537 13.804 -0.146 541 HA LYS 91 HA LYS 91 1.967 15.226 0.200 542 HB2 LYS 91 HB2 LYS 91 -0.475 15.728 -1.560 543 HB3 LYS 91 HB3 LYS 91 0.939 16.780 -1.537 544 HG2 LYS 91 HG2 LYS 91 2.362 14.961 -2.322 545 HG3 LYS 91 HG3 LYS 91 1.008 13.834 -2.246 546 HD2 LYS 91 HD2 LYS 91 1.429 14.500 -4.558 547 HD3 LYS 91 HD3 LYS 91 -0.148 15.094 -4.044 548 HE2 LYS 91 HE2 LYS 91 2.312 16.872 -3.973 549 HE3 LYS 91 HE3 LYS 91 1.359 16.678 -5.442 550 HZ1 LYS 91 HZ1 LYS 91 0.648 18.621 -4.280 551 HZ2 LYS 91 HZ2 LYS 91 0.415 17.765 -2.845 552 HZ3 LYS 91 HZ3 LYS 91 -0.593 17.471 -4.172 553 H LEU 92 H LEU 92 1.924 15.932 2.284 554 HA LEU 92 HA LEU 92 1.850 17.480 3.879 555 HB2 LEU 92 HB2 LEU 92 0.107 19.124 2.016 556 HB3 LEU 92 HB3 LEU 92 0.842 19.715 3.498 557 HG LEU 92 HG LEU 92 2.278 18.892 0.944 558 HD11 LEU 92 HD11 LEU 92 3.022 21.219 0.855 559 HD12 LEU 92 HD12 LEU 92 2.123 21.588 2.327 560 HD13 LEU 92 HD13 LEU 92 1.261 21.123 0.858 561 HD21 LEU 92 HD21 LEU 92 4.404 19.484 2.040 562 HD22 LEU 92 HD22 LEU 92 3.632 18.110 2.826 563 HD23 LEU 92 HD23 LEU 92 3.559 19.706 3.575 564 H GLU 93 H GLU 93 0.756 17.929 5.705 565 HA GLU 93 HA GLU 93 -1.892 16.789 6.090 566 HB2 GLU 93 HB2 GLU 93 0.106 18.029 8.037 567 HB3 GLU 93 HB3 GLU 93 -1.491 17.480 8.521 568 HG2 GLU 93 HG2 GLU 93 0.116 15.799 9.116 569 HG3 GLU 93 HG3 GLU 93 -0.896 15.179 7.816 570 H HIS 94 H HIS 94 -2.899 18.366 4.614 571 HA HIS 94 HA HIS 94 -3.307 21.081 5.493 572 HB2 HIS 94 HB2 HIS 94 -4.922 19.342 3.572 573 HB3 HIS 94 HB3 HIS 94 -5.267 21.043 3.885 574 HD1 HIS 94 HD1 HIS 94 -3.744 19.135 1.380 575 HD2 HIS 94 HD2 HIS 94 -2.573 22.560 3.419 576 HE1 HIS 94 HE1 HIS 94 -2.007 20.219 -0.072 577 HE2 HIS 94 HE2 HIS 94 -1.482 22.386 1.089 578 H HIS 95 H HIS 95 -3.962 21.195 7.565 579 HA HIS 95 HA HIS 95 -5.112 19.149 9.025 580 HB2 HIS 95 HB2 HIS 95 -3.789 20.926 10.068 581 HB3 HIS 95 HB3 HIS 95 -5.032 22.117 9.699 582 HD1 HIS 95 HD1 HIS 95 -7.048 22.242 11.268 583 HD2 HIS 95 HD2 HIS 95 -4.444 19.139 12.199 584 HE1 HIS 95 HE1 HIS 95 -7.805 21.370 13.491 585 HE2 HIS 95 HE2 HIS 95 -6.034 19.711 14.156 586 H HIS 96 H HIS 96 -6.955 18.313 8.221 587 HA HIS 96 HA HIS 96 -9.375 19.841 7.796 588 HB2 HIS 96 HB2 HIS 96 -8.754 17.763 6.496 589 HB3 HIS 96 HB3 HIS 96 -8.964 16.819 7.961 590 HD1 HIS 96 HD1 HIS 96 -10.778 18.161 5.082 591 HD2 HIS 96 HD2 HIS 96 -11.757 16.731 8.861 592 HE1 HIS 96 HE1 HIS 96 -13.238 17.657 5.001 593 HE2 HIS 96 HE2 HIS 96 -13.831 16.916 7.330 594 H HIS 97 H HIS 97 -8.214 17.370 10.100 595 HA HIS 97 HA HIS 97 -9.168 18.671 12.424 596 HB2 HIS 97 HB2 HIS 97 -11.383 17.794 11.530 597 HB3 HIS 97 HB3 HIS 97 -10.759 16.159 11.681 598 HD1 HIS 97 HD1 HIS 97 -11.834 19.108 13.773 599 HD2 HIS 97 HD2 HIS 97 -10.917 15.078 14.256 600 HE1 HIS 97 HE1 HIS 97 -12.516 18.538 16.121 601 HE2 HIS 97 HE2 HIS 97 -11.809 16.145 16.438 602 H HIS 98 H HIS 98 -8.173 17.778 14.244 603 HA HIS 98 HA HIS 98 -6.123 15.788 13.853 604 HB2 HIS 98 HB2 HIS 98 -5.601 17.632 15.340 605 HB3 HIS 98 HB3 HIS 98 -7.013 17.310 16.338 606 HD1 HIS 98 HD1 HIS 98 -3.714 15.647 15.400 607 HD2 HIS 98 HD2 HIS 98 -6.539 15.610 18.457 608 HE1 HIS 98 HE1 HIS 98 -2.758 14.157 17.190 609 HE2 HIS 98 HE2 HIS 98 -4.419 14.271 19.078 610 H HIS 99 H HIS 99 -6.323 13.666 14.152 611 HA HIS 99 HA HIS 99 -8.649 12.554 15.582 612 HB2 HIS 99 HB2 HIS 99 -6.701 11.310 13.601 613 HB3 HIS 99 HB3 HIS 99 -7.908 10.378 14.485 614 HD1 HIS 99 HD1 HIS 99 -10.333 10.544 13.707 615 HD2 HIS 99 HD2 HIS 99 -7.768 13.045 11.594 616 HE1 HIS 99 HE1 HIS 99 -11.690 11.426 11.787 617 HE2 HIS 99 HE2 HIS 99 -10.056 12.778 10.424 Start of MODEL 19 1 H1 ALA 22 H1 ALA 22 0.224 2.523 8.636 2 H2 ALA 22 H2 ALA 22 -0.311 3.895 7.810 3 H3 ALA 22 H3 ALA 22 1.347 3.577 7.940 4 HA ALA 22 HA ALA 22 0.581 3.043 5.753 5 HB1 ALA 22 HB1 ALA 22 2.421 1.731 6.712 6 HB2 ALA 22 HB2 ALA 22 1.435 0.727 5.649 7 HB3 ALA 22 HB3 ALA 22 1.268 0.585 7.399 8 H GLU 23 H GLU 23 -1.537 3.287 5.151 9 HA GLU 23 HA GLU 23 -3.661 1.652 6.341 10 HB2 GLU 23 HB2 GLU 23 -4.141 3.929 4.383 11 HB3 GLU 23 HB3 GLU 23 -5.211 3.311 5.640 12 HG2 GLU 23 HG2 GLU 23 -2.739 5.025 5.999 13 HG3 GLU 23 HG3 GLU 23 -4.410 5.511 6.245 14 H ILE 24 H ILE 24 -4.393 -0.099 5.223 15 HA ILE 24 HA ILE 24 -3.416 -0.580 2.522 16 HB ILE 24 HB ILE 24 -5.241 -2.388 4.168 17 HG12 ILE 24 HG12 ILE 24 -3.050 -1.986 5.312 18 HG13 ILE 24 HG13 ILE 24 -3.251 -3.659 4.808 19 HG21 ILE 24 HG21 ILE 24 -3.547 -2.991 1.705 20 HG22 ILE 24 HG22 ILE 24 -5.307 -2.895 1.759 21 HG23 ILE 24 HG23 ILE 24 -4.471 -4.180 2.629 22 HD11 ILE 24 HD11 ILE 24 -1.579 -1.573 3.409 23 HD12 ILE 24 HD12 ILE 24 -1.766 -3.252 2.894 24 HD13 ILE 24 HD13 ILE 24 -0.990 -2.880 4.432 25 H MET 25 H MET 25 -4.472 0.395 0.908 26 HA MET 25 HA MET 25 -7.422 0.052 0.700 27 HB2 MET 25 HB2 MET 25 -5.670 2.174 -0.632 28 HB3 MET 25 HB3 MET 25 -7.365 1.905 -1.019 29 HG2 MET 25 HG2 MET 25 -7.822 2.370 1.468 30 HG3 MET 25 HG3 MET 25 -6.180 3.013 1.525 31 HE1 MET 25 HE1 MET 25 -6.552 5.942 -1.204 32 HE2 MET 25 HE2 MET 25 -6.073 4.279 -1.536 33 HE3 MET 25 HE3 MET 25 -5.410 5.126 -0.138 34 H LYS 26 H LYS 26 -8.110 -0.239 -1.628 35 HA LYS 26 HA LYS 26 -6.218 -1.923 -3.181 36 HB2 LYS 26 HB2 LYS 26 -9.263 -1.827 -3.212 37 HB3 LYS 26 HB3 LYS 26 -8.279 -2.877 -4.232 38 HG2 LYS 26 HG2 LYS 26 -7.530 -4.155 -2.330 39 HG3 LYS 26 HG3 LYS 26 -8.220 -2.991 -1.196 40 HD2 LYS 26 HD2 LYS 26 -9.651 -4.961 -1.310 41 HD3 LYS 26 HD3 LYS 26 -10.493 -3.569 -1.986 42 HE2 LYS 26 HE2 LYS 26 -9.717 -4.441 -4.293 43 HE3 LYS 26 HE3 LYS 26 -9.304 -5.936 -3.446 44 HZ1 LYS 26 HZ1 LYS 26 -11.992 -4.667 -3.499 45 HZ2 LYS 26 HZ2 LYS 26 -11.599 -6.110 -2.709 46 HZ3 LYS 26 HZ3 LYS 26 -11.525 -6.021 -4.396 47 H LYS 27 H LYS 27 -6.479 -1.692 -5.596 48 HA LYS 27 HA LYS 27 -5.889 0.914 -6.374 49 HB2 LYS 27 HB2 LYS 27 -6.495 -1.604 -7.926 50 HB3 LYS 27 HB3 LYS 27 -6.295 -0.091 -8.801 51 HG2 LYS 27 HG2 LYS 27 -4.220 -1.253 -6.914 52 HG3 LYS 27 HG3 LYS 27 -4.214 -1.475 -8.669 53 HD2 LYS 27 HD2 LYS 27 -3.987 0.947 -9.010 54 HD3 LYS 27 HD3 LYS 27 -4.112 1.236 -7.272 55 HE2 LYS 27 HE2 LYS 27 -1.789 1.382 -7.969 56 HE3 LYS 27 HE3 LYS 27 -2.008 -0.024 -6.930 57 HZ1 LYS 27 HZ1 LYS 27 -2.129 -1.385 -8.990 58 HZ2 LYS 27 HZ2 LYS 27 -0.636 -0.630 -8.746 59 HZ3 LYS 27 HZ3 LYS 27 -1.719 -0.008 -9.878 60 H THR 28 H THR 28 -8.970 -0.819 -6.734 61 HA THR 28 HA THR 28 -10.294 1.007 -8.406 62 HB THR 28 HB THR 28 -11.645 -0.744 -6.300 63 HG1 THR 28 HG1 THR 28 -10.317 -1.411 -8.691 64 HG21 THR 28 HG21 THR 28 -13.169 0.781 -7.554 65 HG22 THR 28 HG22 THR 28 -13.468 -0.912 -7.950 66 HG23 THR 28 HG23 THR 28 -12.575 0.115 -9.075 67 H ASP 29 H ASP 29 -9.927 0.925 -4.894 68 HA ASP 29 HA ASP 29 -11.614 3.232 -4.364 69 HB2 ASP 29 HB2 ASP 29 -9.655 1.734 -2.554 70 HB3 ASP 29 HB3 ASP 29 -10.791 2.970 -2.015 71 H PHE 30 H PHE 30 -8.189 2.562 -4.804 72 HA PHE 30 HA PHE 30 -7.139 4.892 -3.615 73 HB2 PHE 30 HB2 PHE 30 -5.606 3.078 -3.876 74 HB3 PHE 30 HB3 PHE 30 -5.962 2.909 -5.593 75 HD1 PHE 30 HD1 PHE 30 -4.562 5.428 -3.156 76 HD2 PHE 30 HD2 PHE 30 -4.456 3.861 -7.152 77 HE1 PHE 30 HE1 PHE 30 -2.746 6.972 -3.732 78 HE2 PHE 30 HE2 PHE 30 -2.633 5.413 -7.701 79 HZ PHE 30 HZ PHE 30 -1.786 6.975 -5.996 80 H ASP 31 H ASP 31 -7.683 4.075 -7.074 81 HA ASP 31 HA ASP 31 -6.625 6.400 -8.161 82 HB2 ASP 31 HB2 ASP 31 -8.703 4.461 -9.225 83 HB3 ASP 31 HB3 ASP 31 -8.187 5.846 -10.183 84 H LYS 32 H LYS 32 -9.812 5.846 -6.847 85 HA LYS 32 HA LYS 32 -11.241 8.082 -7.691 86 HB2 LYS 32 HB2 LYS 32 -11.364 6.804 -4.922 87 HB3 LYS 32 HB3 LYS 32 -12.629 7.764 -5.684 88 HG2 LYS 32 HG2 LYS 32 -11.671 5.013 -6.543 89 HG3 LYS 32 HG3 LYS 32 -13.198 5.401 -5.743 90 HD2 LYS 32 HD2 LYS 32 -13.869 6.743 -7.733 91 HD3 LYS 32 HD3 LYS 32 -12.368 6.281 -8.537 92 HE2 LYS 32 HE2 LYS 32 -14.230 4.896 -9.329 93 HE3 LYS 32 HE3 LYS 32 -13.069 3.903 -8.444 94 HZ1 LYS 32 HZ1 LYS 32 -15.370 3.403 -7.863 95 HZ2 LYS 32 HZ2 LYS 32 -15.597 4.989 -7.323 96 HZ3 LYS 32 HZ3 LYS 32 -14.507 3.970 -6.523 97 H VAL 33 H VAL 33 -8.839 7.751 -5.149 98 HA VAL 33 HA VAL 33 -8.824 10.670 -4.606 99 HB VAL 33 HB VAL 33 -8.032 10.128 -2.289 100 HG11 VAL 33 HG11 VAL 33 -10.187 9.359 -1.361 101 HG12 VAL 33 HG12 VAL 33 -10.700 8.833 -2.967 102 HG13 VAL 33 HG13 VAL 33 -10.427 10.547 -2.643 103 HG21 VAL 33 HG21 VAL 33 -8.582 7.223 -3.034 104 HG22 VAL 33 HG22 VAL 33 -8.193 7.804 -1.412 105 HG23 VAL 33 HG23 VAL 33 -6.999 7.934 -2.704 106 H ALA 34 H ALA 34 -7.266 9.025 -6.632 107 HA ALA 34 HA ALA 34 -4.685 8.332 -5.826 108 HB1 ALA 34 HB1 ALA 34 -4.036 8.473 -8.196 109 HB2 ALA 34 HB2 ALA 34 -5.509 9.383 -8.553 110 HB3 ALA 34 HB3 ALA 34 -5.615 7.712 -8.006 111 H SER 35 H SER 35 -5.905 11.508 -6.747 112 HA SER 35 HA SER 35 -3.455 12.857 -7.162 113 HB2 SER 35 HB2 SER 35 -6.130 14.043 -6.316 114 HB3 SER 35 HB3 SER 35 -4.810 14.896 -7.114 115 HG SER 35 HG SER 35 -6.772 13.808 -8.313 116 H GLU 36 H GLU 36 -4.997 11.865 -4.249 117 HA GLU 36 HA GLU 36 -3.886 13.855 -2.474 118 HB2 GLU 36 HB2 GLU 36 -5.262 11.190 -1.939 119 HB3 GLU 36 HB3 GLU 36 -4.753 12.301 -0.669 120 HG2 GLU 36 HG2 GLU 36 -6.776 12.937 -2.838 121 HG3 GLU 36 HG3 GLU 36 -7.176 12.447 -1.194 122 H TYR 37 H TYR 37 -2.554 11.122 -4.042 123 HA TYR 37 HA TYR 37 -0.521 10.743 -1.910 124 HB2 TYR 37 HB2 TYR 37 -1.890 8.471 -3.419 125 HB3 TYR 37 HB3 TYR 37 -0.612 8.297 -2.216 126 HD1 TYR 37 HD1 TYR 37 -1.103 9.353 0.141 127 HD2 TYR 37 HD2 TYR 37 -4.159 8.333 -2.665 128 HE1 TYR 37 HE1 TYR 37 -2.756 9.389 1.945 129 HE2 TYR 37 HE2 TYR 37 -5.818 8.330 -0.852 130 HH TYR 37 HH TYR 37 -5.908 8.102 1.574 131 H THR 38 H THR 38 1.504 10.000 -2.548 132 HA THR 38 HA THR 38 2.184 10.225 -5.417 133 HB THR 38 HB THR 38 3.028 12.200 -4.212 134 HG1 THR 38 HG1 THR 38 5.322 11.866 -4.705 135 HG21 THR 38 HG21 THR 38 4.760 12.063 -2.474 136 HG22 THR 38 HG22 THR 38 4.618 10.304 -2.459 137 HG23 THR 38 HG23 THR 38 3.263 11.304 -1.929 138 H LYS 39 H LYS 39 3.294 8.566 -6.260 139 HA LYS 39 HA LYS 39 3.541 6.119 -4.748 140 HB2 LYS 39 HB2 LYS 39 2.648 6.297 -7.120 141 HB3 LYS 39 HB3 LYS 39 4.285 6.649 -7.662 142 HG2 LYS 39 HG2 LYS 39 5.022 4.421 -6.871 143 HG3 LYS 39 HG3 LYS 39 3.377 4.077 -6.315 144 HD2 LYS 39 HD2 LYS 39 2.567 4.347 -8.675 145 HD3 LYS 39 HD3 LYS 39 4.238 4.585 -9.197 146 HE2 LYS 39 HE2 LYS 39 3.123 2.080 -7.894 147 HE3 LYS 39 HE3 LYS 39 3.455 2.283 -9.614 148 HZ1 LYS 39 HZ1 LYS 39 5.222 1.093 -8.525 149 HZ2 LYS 39 HZ2 LYS 39 5.470 2.359 -7.434 150 HZ3 LYS 39 HZ3 LYS 39 5.791 2.583 -9.079 151 H ILE 40 H ILE 40 5.292 5.863 -3.466 152 HA ILE 40 HA ILE 40 7.904 7.026 -4.280 153 HB ILE 40 HB ILE 40 8.618 6.640 -1.917 154 HG12 ILE 40 HG12 ILE 40 5.713 5.861 -1.363 155 HG13 ILE 40 HG13 ILE 40 7.032 4.708 -1.476 156 HG21 ILE 40 HG21 ILE 40 7.275 8.448 -0.900 157 HG22 ILE 40 HG22 ILE 40 6.077 8.288 -2.186 158 HG23 ILE 40 HG23 ILE 40 7.713 8.826 -2.568 159 HD11 ILE 40 HD11 ILE 40 8.096 5.694 0.468 160 HD12 ILE 40 HD12 ILE 40 6.446 5.191 0.824 161 HD13 ILE 40 HD13 ILE 40 6.809 6.896 0.582 162 H GLY 41 H GLY 41 6.299 4.124 -4.504 163 HA2 GLY 41 HA2 GLY 41 8.253 2.651 -5.691 164 HA3 GLY 41 HA3 GLY 41 8.484 2.297 -3.980 165 H THR 42 H THR 42 7.986 0.135 -5.167 166 HA THR 42 HA THR 42 5.227 -0.550 -4.365 167 HB THR 42 HB THR 42 6.701 -1.867 -6.705 168 HG1 THR 42 HG1 THR 42 4.514 -0.597 -7.522 169 HG21 THR 42 HG21 THR 42 4.514 -2.895 -7.213 170 HG22 THR 42 HG22 THR 42 3.803 -2.105 -5.806 171 HG23 THR 42 HG23 THR 42 5.044 -3.343 -5.587 172 H ILE 43 H ILE 43 5.201 -2.239 -2.921 173 HA ILE 43 HA ILE 43 7.691 -3.820 -2.527 174 HB ILE 43 HB ILE 43 7.168 -4.038 -0.144 175 HG12 ILE 43 HG12 ILE 43 4.797 -2.143 -0.566 176 HG13 ILE 43 HG13 ILE 43 4.651 -3.877 -0.316 177 HG21 ILE 43 HG21 ILE 43 7.142 -1.112 -0.979 178 HG22 ILE 43 HG22 ILE 43 8.572 -2.137 -0.831 179 HG23 ILE 43 HG23 ILE 43 7.627 -1.734 0.602 180 HD11 ILE 43 HD11 ILE 43 5.742 -1.890 1.681 181 HD12 ILE 43 HD12 ILE 43 5.626 -3.636 1.925 182 HD13 ILE 43 HD13 ILE 43 4.163 -2.676 1.719 183 H SER 44 H SER 44 7.398 -5.993 -1.836 184 HA SER 44 HA SER 44 4.781 -7.224 -2.472 185 HB2 SER 44 HB2 SER 44 7.549 -8.304 -3.180 186 HB3 SER 44 HB3 SER 44 6.021 -9.146 -3.452 187 HG SER 44 HG SER 44 7.122 -7.714 -5.189 188 H THR 45 H THR 45 4.363 -9.180 -1.272 189 HA THR 45 HA THR 45 5.229 -9.040 1.458 190 HB THR 45 HB THR 45 3.749 -11.051 1.749 191 HG1 THR 45 HG1 THR 45 3.703 -12.207 -0.062 192 HG21 THR 45 HG21 THR 45 2.504 -8.811 0.126 193 HG22 THR 45 HG22 THR 45 2.744 -8.816 1.877 194 HG23 THR 45 HG23 THR 45 1.625 -9.960 1.135 195 H THR 46 H THR 46 6.743 -10.273 2.497 196 HA THR 46 HA THR 46 8.565 -11.915 0.986 197 HB THR 46 HB THR 46 9.546 -12.378 3.367 198 HG1 THR 46 HG1 THR 46 7.503 -11.643 4.409 199 HG21 THR 46 HG21 THR 46 10.638 -10.166 3.460 200 HG22 THR 46 HG22 THR 46 9.423 -9.506 2.365 201 HG23 THR 46 HG23 THR 46 10.544 -10.744 1.795 202 H GLY 47 H GLY 47 7.402 -13.580 0.139 203 HA2 GLY 47 HA2 GLY 47 7.031 -15.916 0.251 204 HA3 GLY 47 HA3 GLY 47 6.581 -15.773 1.945 205 H GLU 48 H GLU 48 5.069 -17.172 0.022 206 HA GLU 48 HA GLU 48 2.741 -15.670 -0.762 207 HB2 GLU 48 HB2 GLU 48 3.117 -18.689 -0.464 208 HB3 GLU 48 HB3 GLU 48 1.720 -17.916 -1.211 209 HG2 GLU 48 HG2 GLU 48 3.179 -17.011 -2.996 210 HG3 GLU 48 HG3 GLU 48 4.576 -17.784 -2.237 211 H MET 49 H MET 49 1.510 -14.784 0.809 212 HA MET 49 HA MET 49 0.767 -16.384 3.199 213 HB2 MET 49 HB2 MET 49 1.497 -13.428 3.038 214 HB3 MET 49 HB3 MET 49 0.660 -14.123 4.424 215 HG2 MET 49 HG2 MET 49 2.543 -15.606 4.862 216 HG3 MET 49 HG3 MET 49 3.379 -15.025 3.424 217 HE1 MET 49 HE1 MET 49 3.116 -11.907 3.443 218 HE2 MET 49 HE2 MET 49 4.631 -12.789 3.240 219 HE3 MET 49 HE3 MET 49 4.523 -11.479 4.414 220 H SER 50 H SER 50 -1.337 -16.046 4.020 221 HA SER 50 HA SER 50 -3.389 -15.952 2.124 222 HB2 SER 50 HB2 SER 50 -3.607 -15.536 5.146 223 HB3 SER 50 HB3 SER 50 -4.910 -16.063 4.077 224 HG SER 50 HG SER 50 -3.730 -17.732 5.306 225 HA PRO 51 HA PRO 51 -3.939 -11.783 0.788 226 HB2 PRO 51 HB2 PRO 51 -6.805 -12.163 1.729 227 HB3 PRO 51 HB3 PRO 51 -6.208 -11.402 0.233 228 HG2 PRO 51 HG2 PRO 51 -7.076 -13.908 0.172 229 HG3 PRO 51 HG3 PRO 51 -5.625 -13.438 -0.743 230 HD2 PRO 51 HD2 PRO 51 -5.818 -15.079 1.741 231 HD3 PRO 51 HD3 PRO 51 -4.567 -15.082 0.480 232 H LEU 52 H LEU 52 -5.693 -12.320 3.868 233 HA LEU 52 HA LEU 52 -5.663 -9.566 4.656 234 HB2 LEU 52 HB2 LEU 52 -6.386 -12.116 6.141 235 HB3 LEU 52 HB3 LEU 52 -6.433 -10.545 6.917 236 HG LEU 52 HG LEU 52 -8.682 -11.128 6.266 237 HD11 LEU 52 HD11 LEU 52 -8.111 -8.759 6.054 238 HD12 LEU 52 HD12 LEU 52 -9.342 -9.232 4.888 239 HD13 LEU 52 HD13 LEU 52 -7.675 -8.998 4.359 240 HD21 LEU 52 HD21 LEU 52 -8.220 -12.779 4.510 241 HD22 LEU 52 HD22 LEU 52 -7.723 -11.496 3.405 242 HD23 LEU 52 HD23 LEU 52 -9.397 -11.586 3.962 243 H ASP 53 H ASP 53 -3.812 -12.427 5.739 244 HA ASP 53 HA ASP 53 -2.154 -11.124 7.641 245 HB2 ASP 53 HB2 ASP 53 -2.456 -13.570 7.598 246 HB3 ASP 53 HB3 ASP 53 -1.691 -13.668 6.017 247 H ALA 54 H ALA 54 -1.947 -11.536 4.176 248 HA ALA 54 HA ALA 54 0.716 -10.730 3.692 249 HB1 ALA 54 HB1 ALA 54 -0.619 -11.954 2.026 250 HB2 ALA 54 HB2 ALA 54 -0.037 -10.429 1.352 251 HB3 ALA 54 HB3 ALA 54 -1.717 -10.582 1.875 252 H ARG 55 H ARG 55 -2.384 -8.973 3.773 253 HA ARG 55 HA ARG 55 -1.554 -6.382 3.121 254 HB2 ARG 55 HB2 ARG 55 -3.781 -7.280 5.009 255 HB3 ARG 55 HB3 ARG 55 -3.582 -5.619 4.455 256 HG2 ARG 55 HG2 ARG 55 -4.087 -6.225 2.181 257 HG3 ARG 55 HG3 ARG 55 -4.008 -7.943 2.553 258 HD2 ARG 55 HD2 ARG 55 -6.325 -7.404 2.372 259 HD3 ARG 55 HD3 ARG 55 -6.003 -7.600 4.096 260 HE ARG 55 HE ARG 55 -6.485 -5.057 2.665 261 HH11 ARG 55 HH11 ARG 55 -6.200 -6.719 5.772 262 HH12 ARG 55 HH12 ARG 55 -6.839 -5.376 6.661 263 HH21 ARG 55 HH21 ARG 55 -7.329 -3.339 3.865 264 HH22 ARG 55 HH22 ARG 55 -7.472 -3.473 5.588 265 H GLU 56 H GLU 56 -1.385 -8.143 6.178 266 HA GLU 56 HA GLU 56 -0.713 -5.887 7.823 267 HB2 GLU 56 HB2 GLU 56 -0.402 -8.857 8.412 268 HB3 GLU 56 HB3 GLU 56 -0.357 -7.550 9.599 269 HG2 GLU 56 HG2 GLU 56 -2.729 -6.979 8.969 270 HG3 GLU 56 HG3 GLU 56 -2.744 -8.391 7.917 271 H ASP 57 H ASP 57 1.159 -8.329 6.078 272 HA ASP 57 HA ASP 57 3.732 -7.601 7.110 273 HB2 ASP 57 HB2 ASP 57 3.270 -9.772 5.946 274 HB3 ASP 57 HB3 ASP 57 3.056 -8.899 4.430 275 H LEU 58 H LEU 58 1.790 -6.604 4.335 276 HA LEU 58 HA LEU 58 3.580 -4.750 3.171 277 HB2 LEU 58 HB2 LEU 58 0.539 -4.851 3.165 278 HB3 LEU 58 HB3 LEU 58 1.488 -3.805 2.116 279 HG LEU 58 HG LEU 58 1.748 -6.838 2.104 280 HD11 LEU 58 HD11 LEU 58 0.020 -5.163 0.278 281 HD12 LEU 58 HD12 LEU 58 -0.525 -6.344 1.469 282 HD13 LEU 58 HD13 LEU 58 0.386 -6.877 0.059 283 HD21 LEU 58 HD21 LEU 58 2.684 -4.782 0.073 284 HD22 LEU 58 HD22 LEU 58 2.866 -6.535 -0.050 285 HD23 LEU 58 HD23 LEU 58 3.708 -5.655 1.223 286 H ILE 59 H ILE 59 1.088 -4.353 5.716 287 HA ILE 59 HA ILE 59 1.393 -1.623 6.292 288 HB ILE 59 HB ILE 59 0.785 -3.906 8.240 289 HG12 ILE 59 HG12 ILE 59 -1.133 -1.884 6.993 290 HG13 ILE 59 HG13 ILE 59 -0.914 -3.530 6.421 291 HG21 ILE 59 HG21 ILE 59 0.506 -0.911 8.735 292 HG22 ILE 59 HG22 ILE 59 1.666 -1.991 9.510 293 HG23 ILE 59 HG23 ILE 59 -0.057 -2.181 9.826 294 HD11 ILE 59 HD11 ILE 59 -1.969 -2.735 9.132 295 HD12 ILE 59 HD12 ILE 59 -1.747 -4.389 8.553 296 HD13 ILE 59 HD13 ILE 59 -2.912 -3.327 7.765 297 H LYS 60 H LYS 60 3.065 -4.462 7.628 298 HA LYS 60 HA LYS 60 4.730 -3.362 9.533 299 HB2 LYS 60 HB2 LYS 60 4.345 -5.783 9.104 300 HB3 LYS 60 HB3 LYS 60 5.289 -5.673 7.628 301 HG2 LYS 60 HG2 LYS 60 7.283 -5.040 9.103 302 HG3 LYS 60 HG3 LYS 60 6.281 -5.499 10.486 303 HD2 LYS 60 HD2 LYS 60 7.160 -7.287 8.181 304 HD3 LYS 60 HD3 LYS 60 7.694 -7.390 9.858 305 HE2 LYS 60 HE2 LYS 60 5.480 -8.124 10.563 306 HE3 LYS 60 HE3 LYS 60 4.827 -7.863 8.945 307 HZ1 LYS 60 HZ1 LYS 60 5.308 -10.203 9.387 308 HZ2 LYS 60 HZ2 LYS 60 6.941 -9.840 9.620 309 HZ3 LYS 60 HZ3 LYS 60 6.235 -9.618 8.097 310 H LYS 61 H LYS 61 5.662 -4.080 6.136 311 HA LYS 61 HA LYS 61 8.249 -2.894 6.346 312 HB2 LYS 61 HB2 LYS 61 6.624 -3.923 4.002 313 HB3 LYS 61 HB3 LYS 61 8.133 -3.075 3.716 314 HG2 LYS 61 HG2 LYS 61 8.520 -5.467 3.664 315 HG3 LYS 61 HG3 LYS 61 9.352 -4.764 5.051 316 HD2 LYS 61 HD2 LYS 61 7.460 -5.530 6.507 317 HD3 LYS 61 HD3 LYS 61 6.726 -6.292 5.100 318 HE2 LYS 61 HE2 LYS 61 9.509 -7.027 6.047 319 HE3 LYS 61 HE3 LYS 61 8.061 -7.806 6.682 320 HZ1 LYS 61 HZ1 LYS 61 8.975 -9.091 4.896 321 HZ2 LYS 61 HZ2 LYS 61 8.917 -7.768 3.847 322 HZ3 LYS 61 HZ3 LYS 61 7.482 -8.457 4.420 323 H ALA 62 H ALA 62 5.174 -1.724 4.918 324 HA ALA 62 HA ALA 62 6.259 0.672 3.821 325 HB1 ALA 62 HB1 ALA 62 3.938 1.370 3.526 326 HB2 ALA 62 HB2 ALA 62 3.397 0.064 4.588 327 HB3 ALA 62 HB3 ALA 62 4.158 -0.311 3.040 328 H ASP 63 H ASP 63 4.929 -0.107 6.993 329 HA ASP 63 HA ASP 63 4.663 2.579 7.945 330 HB2 ASP 63 HB2 ASP 63 3.408 0.661 8.958 331 HB3 ASP 63 HB3 ASP 63 4.920 0.006 9.569 332 H GLU 64 H GLU 64 7.124 0.005 8.306 333 HA GLU 64 HA GLU 64 9.053 1.450 9.758 334 HB2 GLU 64 HB2 GLU 64 9.421 -0.739 7.680 335 HB3 GLU 64 HB3 GLU 64 10.730 -0.129 8.696 336 HG2 GLU 64 HG2 GLU 64 9.524 -0.867 10.715 337 HG3 GLU 64 HG3 GLU 64 8.192 -1.450 9.718 338 H LYS 65 H LYS 65 8.380 1.439 6.263 339 HA LYS 65 HA LYS 65 10.507 3.319 5.635 340 HB2 LYS 65 HB2 LYS 65 8.182 2.210 4.029 341 HB3 LYS 65 HB3 LYS 65 9.262 3.442 3.375 342 HG2 LYS 65 HG2 LYS 65 11.182 1.935 3.645 343 HG3 LYS 65 HG3 LYS 65 10.133 0.694 4.341 344 HD2 LYS 65 HD2 LYS 65 8.943 0.439 2.239 345 HD3 LYS 65 HD3 LYS 65 9.789 1.820 1.533 346 HE2 LYS 65 HE2 LYS 65 10.689 -0.341 0.726 347 HE3 LYS 65 HE3 LYS 65 11.904 0.595 1.593 348 HZ1 LYS 65 HZ1 LYS 65 10.346 -1.663 2.729 349 HZ2 LYS 65 HZ2 LYS 65 11.550 -0.789 3.530 350 HZ3 LYS 65 HZ3 LYS 65 11.944 -1.742 2.196 351 H GLY 66 H GLY 66 7.364 3.668 6.965 352 HA2 GLY 66 HA2 GLY 66 6.384 5.616 7.756 353 HA3 GLY 66 HA3 GLY 66 7.513 6.577 6.818 354 H ALA 67 H ALA 67 6.159 4.296 4.782 355 HA ALA 67 HA ALA 67 4.744 6.075 3.162 356 HB1 ALA 67 HB1 ALA 67 5.671 3.959 2.339 357 HB2 ALA 67 HB2 ALA 67 3.955 4.087 1.946 358 HB3 ALA 67 HB3 ALA 67 4.483 3.057 3.281 359 H ASP 68 H ASP 68 2.700 6.870 3.198 360 HA ASP 68 HA ASP 68 1.130 6.589 5.574 361 HB2 ASP 68 HB2 ASP 68 0.681 8.128 2.985 362 HB3 ASP 68 HB3 ASP 68 -0.537 8.094 4.255 363 H VAL 69 H VAL 69 0.676 5.568 2.192 364 HA VAL 69 HA VAL 69 -1.498 3.746 3.061 365 HB VAL 69 HB VAL 69 -1.597 5.588 0.624 366 HG11 VAL 69 HG11 VAL 69 -3.546 3.359 1.325 367 HG12 VAL 69 HG12 VAL 69 -2.433 3.369 -0.042 368 HG13 VAL 69 HG13 VAL 69 -3.750 4.537 0.023 369 HG21 VAL 69 HG21 VAL 69 -3.693 6.431 1.640 370 HG22 VAL 69 HG22 VAL 69 -2.312 6.667 2.714 371 HG23 VAL 69 HG23 VAL 69 -3.455 5.358 3.026 372 H VAL 70 H VAL 70 -1.428 1.749 2.235 373 HA VAL 70 HA VAL 70 0.517 1.077 0.104 374 HB VAL 70 HB VAL 70 -0.534 -1.071 1.956 375 HG11 VAL 70 HG11 VAL 70 0.932 -1.682 0.095 376 HG12 VAL 70 HG12 VAL 70 1.687 -2.063 1.639 377 HG13 VAL 70 HG13 VAL 70 2.209 -0.642 0.728 378 HG21 VAL 70 HG21 VAL 70 1.178 -0.661 3.680 379 HG22 VAL 70 HG22 VAL 70 0.030 0.676 3.573 380 HG23 VAL 70 HG23 VAL 70 1.639 0.840 2.869 381 H VAL 71 H VAL 71 -0.475 0.392 -1.758 382 HA VAL 71 HA VAL 71 -3.376 -0.203 -1.676 383 HB VAL 71 HB VAL 71 -1.755 1.250 -3.804 384 HG11 VAL 71 HG11 VAL 71 -3.875 1.524 -5.050 385 HG12 VAL 71 HG12 VAL 71 -4.690 0.465 -3.897 386 HG13 VAL 71 HG13 VAL 71 -3.405 -0.171 -4.926 387 HG21 VAL 71 HG21 VAL 71 -2.331 2.607 -1.828 388 HG22 VAL 71 HG22 VAL 71 -4.037 2.201 -2.026 389 HG23 VAL 71 HG23 VAL 71 -3.208 3.164 -3.251 390 H LEU 72 H LEU 72 -3.830 -2.212 -2.096 391 HA LEU 72 HA LEU 72 -2.175 -4.217 -3.107 392 HB2 LEU 72 HB2 LEU 72 -5.223 -4.141 -3.024 393 HB3 LEU 72 HB3 LEU 72 -4.248 -5.592 -3.203 394 HG LEU 72 HG LEU 72 -4.319 -3.806 -0.733 395 HD11 LEU 72 HD11 LEU 72 -5.533 -6.561 -1.131 396 HD12 LEU 72 HD12 LEU 72 -6.415 -5.041 -0.985 397 HD13 LEU 72 HD13 LEU 72 -5.493 -5.652 0.385 398 HD21 LEU 72 HD21 LEU 72 -2.985 -5.554 0.369 399 HD22 LEU 72 HD22 LEU 72 -2.122 -4.850 -0.994 400 HD23 LEU 72 HD23 LEU 72 -2.869 -6.441 -1.155 401 H THR 73 H THR 73 -1.261 -3.713 -5.075 402 HA THR 73 HA THR 73 -2.829 -3.206 -7.456 403 HB THR 73 HB THR 73 -0.553 -2.309 -7.301 404 HG1 THR 73 HG1 THR 73 -0.859 -4.253 -9.367 405 HG21 THR 73 HG21 THR 73 1.444 -3.735 -7.529 406 HG22 THR 73 HG22 THR 73 0.438 -5.178 -7.391 407 HG23 THR 73 HG23 THR 73 0.587 -4.073 -6.022 408 H SER 74 H SER 74 -1.238 -5.958 -5.911 409 HA SER 74 HA SER 74 -2.142 -7.965 -7.742 410 HB2 SER 74 HB2 SER 74 -0.298 -8.446 -6.182 411 HB3 SER 74 HB3 SER 74 -1.332 -8.114 -4.795 412 HG SER 74 HG SER 74 -2.608 -9.929 -5.444 413 H GLY 75 H GLY 75 -4.165 -8.808 -7.893 414 HA2 GLY 75 HA2 GLY 75 -6.421 -7.787 -6.556 415 HA3 GLY 75 HA3 GLY 75 -6.367 -9.279 -7.488 416 H GLN 76 H GLN 76 -7.581 -8.514 -4.800 417 HA GLN 76 HA GLN 76 -6.302 -10.364 -2.926 418 HB2 GLN 76 HB2 GLN 76 -7.337 -8.138 -2.278 419 HB3 GLN 76 HB3 GLN 76 -8.916 -8.816 -2.622 420 HG2 GLN 76 HG2 GLN 76 -8.592 -10.500 -0.863 421 HG3 GLN 76 HG3 GLN 76 -6.975 -9.876 -0.545 422 HE21 GLN 76 HE21 GLN 76 -9.822 -7.856 -1.159 423 HE22 GLN 76 HE22 GLN 76 -9.905 -7.182 0.423 424 H THR 77 H THR 77 -6.788 -11.799 -4.994 425 HA THR 77 HA THR 77 -9.520 -12.537 -5.484 426 HB THR 77 HB THR 77 -7.058 -13.767 -6.770 427 HG1 THR 77 HG1 THR 77 -7.525 -11.855 -8.307 428 HG21 THR 77 HG21 THR 77 -9.807 -13.062 -7.850 429 HG22 THR 77 HG22 THR 77 -9.252 -14.690 -7.453 430 HG23 THR 77 HG23 THR 77 -8.508 -13.802 -8.788 431 H GLU 78 H GLU 78 -7.028 -13.725 -3.471 432 HA GLU 78 HA GLU 78 -7.244 -15.067 -1.679 433 HB2 GLU 78 HB2 GLU 78 -9.723 -14.656 -1.850 434 HB3 GLU 78 HB3 GLU 78 -9.870 -16.099 -2.836 435 HG2 GLU 78 HG2 GLU 78 -8.828 -16.144 0.015 436 HG3 GLU 78 HG3 GLU 78 -10.535 -16.282 -0.379 437 H ASN 79 H ASN 79 -8.099 -16.731 -4.722 438 HA ASN 79 HA ASN 79 -7.608 -19.357 -3.893 439 HB2 ASN 79 HB2 ASN 79 -7.493 -18.236 -6.729 440 HB3 ASN 79 HB3 ASN 79 -7.655 -19.939 -6.307 441 HD21 ASN 79 HD21 ASN 79 -9.280 -16.889 -6.584 442 HD22 ASN 79 HD22 ASN 79 -10.880 -17.481 -6.314 443 H LYS 80 H LYS 80 -5.609 -17.456 -6.152 444 HA LYS 80 HA LYS 80 -3.141 -18.618 -5.033 445 HB2 LYS 80 HB2 LYS 80 -3.768 -19.981 -7.017 446 HB3 LYS 80 HB3 LYS 80 -3.838 -18.526 -8.009 447 HG2 LYS 80 HG2 LYS 80 -1.425 -18.161 -7.678 448 HG3 LYS 80 HG3 LYS 80 -1.338 -19.583 -6.639 449 HD2 LYS 80 HD2 LYS 80 -2.058 -19.568 -9.596 450 HD3 LYS 80 HD3 LYS 80 -0.513 -20.076 -8.914 451 HE2 LYS 80 HE2 LYS 80 -3.197 -21.433 -8.451 452 HE3 LYS 80 HE3 LYS 80 -1.900 -22.018 -9.494 453 HZ1 LYS 80 HZ1 LYS 80 -1.829 -23.174 -7.418 454 HZ2 LYS 80 HZ2 LYS 80 -1.801 -21.731 -6.541 455 HZ3 LYS 80 HZ3 LYS 80 -0.480 -22.163 -7.500 456 H ILE 81 H ILE 81 -2.417 -16.764 -4.155 457 HA ILE 81 HA ILE 81 -1.862 -14.471 -5.921 458 HB ILE 81 HB ILE 81 -2.416 -12.901 -3.968 459 HG12 ILE 81 HG12 ILE 81 -4.382 -13.902 -2.466 460 HG13 ILE 81 HG13 ILE 81 -3.618 -15.445 -2.806 461 HG21 ILE 81 HG21 ILE 81 -4.831 -12.779 -4.509 462 HG22 ILE 81 HG22 ILE 81 -4.739 -14.369 -5.269 463 HG23 ILE 81 HG23 ILE 81 -3.839 -13.012 -5.951 464 HD11 ILE 81 HD11 ILE 81 -2.314 -13.083 -1.445 465 HD12 ILE 81 HD12 ILE 81 -1.569 -14.660 -1.720 466 HD13 ILE 81 HD13 ILE 81 -2.960 -14.517 -0.646 467 H HIS 82 H HIS 82 0.135 -13.605 -5.663 468 HA HIS 82 HA HIS 82 1.988 -14.877 -3.792 469 HB2 HIS 82 HB2 HIS 82 3.765 -13.646 -4.987 470 HB3 HIS 82 HB3 HIS 82 2.747 -14.538 -6.105 471 HD1 HIS 82 HD1 HIS 82 0.924 -13.010 -7.442 472 HD2 HIS 82 HD2 HIS 82 4.070 -10.998 -5.617 473 HE1 HIS 82 HE1 HIS 82 1.000 -10.748 -8.517 474 HE2 HIS 82 HE2 HIS 82 2.816 -9.510 -7.300 475 H GLY 83 H GLY 83 0.436 -11.741 -4.321 476 HA2 GLY 83 HA2 GLY 83 -0.148 -10.224 -2.623 477 HA3 GLY 83 HA3 GLY 83 1.069 -10.922 -1.568 478 H THR 84 H THR 84 0.323 -8.311 -3.546 479 HA THR 84 HA THR 84 2.902 -7.046 -3.114 480 HB THR 84 HB THR 84 1.817 -7.343 -5.961 481 HG1 THR 84 HG1 THR 84 4.021 -8.497 -4.605 482 HG21 THR 84 HG21 THR 84 4.327 -5.912 -5.001 483 HG22 THR 84 HG22 THR 84 2.886 -5.133 -5.656 484 HG23 THR 84 HG23 THR 84 3.869 -6.168 -6.691 485 H ALA 85 H ALA 85 2.684 -4.858 -2.887 486 HA ALA 85 HA ALA 85 0.320 -3.434 -3.809 487 HB1 ALA 85 HB1 ALA 85 -0.192 -2.526 -1.572 488 HB2 ALA 85 HB2 ALA 85 1.038 -3.574 -0.857 489 HB3 ALA 85 HB3 ALA 85 -0.389 -4.278 -1.617 490 H ASP 86 H ASP 86 0.718 -1.286 -4.178 491 HA ASP 86 HA ASP 86 3.482 -0.396 -4.208 492 HB2 ASP 86 HB2 ASP 86 1.038 1.291 -4.877 493 HB3 ASP 86 HB3 ASP 86 2.693 1.535 -5.422 494 H ILE 87 H ILE 87 4.279 1.475 -3.096 495 HA ILE 87 HA ILE 87 2.796 2.139 -0.616 496 HB ILE 87 HB ILE 87 5.056 2.854 0.311 497 HG12 ILE 87 HG12 ILE 87 6.141 1.339 -2.111 498 HG13 ILE 87 HG13 ILE 87 6.278 3.071 -1.851 499 HG21 ILE 87 HG21 ILE 87 3.971 0.747 0.948 500 HG22 ILE 87 HG22 ILE 87 5.723 0.557 0.897 501 HG23 ILE 87 HG23 ILE 87 4.729 -0.076 -0.418 502 HD11 ILE 87 HD11 ILE 87 8.353 1.936 -1.361 503 HD12 ILE 87 HD12 ILE 87 7.555 0.930 -0.153 504 HD13 ILE 87 HD13 ILE 87 7.694 2.673 0.098 505 H TYR 88 H TYR 88 2.396 4.182 -0.056 506 HA TYR 88 HA TYR 88 2.960 6.363 -1.968 507 HB2 TYR 88 HB2 TYR 88 0.207 5.568 -0.896 508 HB3 TYR 88 HB3 TYR 88 0.538 7.059 -1.772 509 HD1 TYR 88 HD1 TYR 88 1.184 6.961 -4.196 510 HD2 TYR 88 HD2 TYR 88 -0.087 3.479 -2.087 511 HE1 TYR 88 HE1 TYR 88 0.794 5.809 -6.325 512 HE2 TYR 88 HE2 TYR 88 -0.473 2.336 -4.216 513 HH TYR 88 HH TYR 88 -0.944 2.910 -6.554 514 H LYS 89 H LYS 89 2.977 8.384 -1.127 515 HA LYS 89 HA LYS 89 2.622 8.740 1.805 516 HB2 LYS 89 HB2 LYS 89 4.301 10.335 -0.180 517 HB3 LYS 89 HB3 LYS 89 4.091 10.770 1.508 518 HG2 LYS 89 HG2 LYS 89 5.399 8.236 0.470 519 HG3 LYS 89 HG3 LYS 89 6.248 9.655 1.091 520 HD2 LYS 89 HD2 LYS 89 4.287 8.009 2.740 521 HD3 LYS 89 HD3 LYS 89 6.023 7.715 2.710 522 HE2 LYS 89 HE2 LYS 89 4.716 10.308 3.604 523 HE3 LYS 89 HE3 LYS 89 5.326 9.043 4.674 524 HZ1 LYS 89 HZ1 LYS 89 6.919 10.672 2.782 525 HZ2 LYS 89 HZ2 LYS 89 7.528 9.370 3.673 526 HZ3 LYS 89 HZ3 LYS 89 6.954 10.745 4.469 527 H LYS 90 H LYS 90 1.193 10.302 2.490 528 HA LYS 90 HA LYS 90 -0.730 11.299 0.605 529 HB2 LYS 90 HB2 LYS 90 -1.368 10.575 2.915 530 HB3 LYS 90 HB3 LYS 90 -0.489 11.959 3.565 531 HG2 LYS 90 HG2 LYS 90 -2.001 13.492 2.379 532 HG3 LYS 90 HG3 LYS 90 -2.856 12.133 1.662 533 HD2 LYS 90 HD2 LYS 90 -3.657 11.427 3.864 534 HD3 LYS 90 HD3 LYS 90 -2.713 12.697 4.652 535 HE2 LYS 90 HE2 LYS 90 -5.135 13.273 4.434 536 HE3 LYS 90 HE3 LYS 90 -4.080 14.424 3.614 537 HZ1 LYS 90 HZ1 LYS 90 -6.057 13.790 2.314 538 HZ2 LYS 90 HZ2 LYS 90 -5.498 12.198 2.247 539 HZ3 LYS 90 HZ3 LYS 90 -4.614 13.437 1.512 540 H LYS 91 H LYS 91 -0.295 12.945 -0.635 541 HA LYS 91 HA LYS 91 1.758 14.839 -0.335 542 HB2 LYS 91 HB2 LYS 91 -0.731 15.011 -2.092 543 HB3 LYS 91 HB3 LYS 91 0.743 15.957 -2.295 544 HG2 LYS 91 HG2 LYS 91 2.005 13.929 -2.836 545 HG3 LYS 91 HG3 LYS 91 0.587 12.935 -2.520 546 HD2 LYS 91 HD2 LYS 91 0.721 13.083 -4.882 547 HD3 LYS 91 HD3 LYS 91 -0.574 14.185 -4.427 548 HE2 LYS 91 HE2 LYS 91 2.270 15.047 -5.052 549 HE3 LYS 91 HE3 LYS 91 0.949 15.055 -6.216 550 HZ1 LYS 91 HZ1 LYS 91 1.062 16.652 -3.715 551 HZ2 LYS 91 HZ2 LYS 91 -0.219 16.641 -4.811 552 HZ3 LYS 91 HZ3 LYS 91 1.286 17.238 -5.286 553 H LEU 92 H LEU 92 1.486 15.670 1.754 554 HA LEU 92 HA LEU 92 -0.802 17.278 2.479 555 HB2 LEU 92 HB2 LEU 92 0.913 17.904 4.463 556 HB3 LEU 92 HB3 LEU 92 -0.041 16.438 4.455 557 HG LEU 92 HG LEU 92 1.954 15.163 3.619 558 HD11 LEU 92 HD11 LEU 92 4.204 16.120 3.708 559 HD12 LEU 92 HD12 LEU 92 3.522 17.717 4.034 560 HD13 LEU 92 HD13 LEU 92 3.202 16.917 2.494 561 HD21 LEU 92 HD21 LEU 92 3.166 15.117 5.752 562 HD22 LEU 92 HD22 LEU 92 1.425 15.201 6.007 563 HD23 LEU 92 HD23 LEU 92 2.416 16.646 6.226 564 H GLU 93 H GLU 93 -0.644 18.529 0.512 565 HA GLU 93 HA GLU 93 1.366 20.450 -0.053 566 HB2 GLU 93 HB2 GLU 93 -0.471 19.611 -1.628 567 HB3 GLU 93 HB3 GLU 93 -1.610 20.606 -0.737 568 HG2 GLU 93 HG2 GLU 93 -1.059 21.842 -2.685 569 HG3 GLU 93 HG3 GLU 93 -0.187 22.621 -1.365 570 H HIS 94 H HIS 94 -1.660 20.533 1.710 571 HA HIS 94 HA HIS 94 -0.834 22.504 3.611 572 HB2 HIS 94 HB2 HIS 94 -1.466 24.087 1.854 573 HB3 HIS 94 HB3 HIS 94 -2.976 23.237 1.558 574 HD1 HIS 94 HD1 HIS 94 -4.978 24.031 2.825 575 HD2 HIS 94 HD2 HIS 94 -1.433 25.480 4.440 576 HE1 HIS 94 HE1 HIS 94 -5.663 25.687 4.575 577 HE2 HIS 94 HE2 HIS 94 -3.504 26.667 5.419 578 H HIS 95 H HIS 95 -1.347 20.971 5.158 579 HA HIS 95 HA HIS 95 -4.203 20.597 5.696 580 HB2 HIS 95 HB2 HIS 95 -3.534 18.516 4.489 581 HB3 HIS 95 HB3 HIS 95 -2.271 18.227 5.685 582 HD1 HIS 95 HD1 HIS 95 -6.076 18.585 5.562 583 HD2 HIS 95 HD2 HIS 95 -3.139 16.704 7.820 584 HE1 HIS 95 HE1 HIS 95 -7.302 17.221 7.275 585 HE2 HIS 95 HE2 HIS 95 -5.507 15.907 8.443 586 H HIS 96 H HIS 96 -4.664 20.846 7.744 587 HA HIS 96 HA HIS 96 -2.743 20.278 9.890 588 HB2 HIS 96 HB2 HIS 96 -4.388 22.842 9.633 589 HB3 HIS 96 HB3 HIS 96 -3.566 22.348 11.110 590 HD1 HIS 96 HD1 HIS 96 -2.995 24.070 7.899 591 HD2 HIS 96 HD2 HIS 96 -0.670 22.392 10.906 592 HE1 HIS 96 HE1 HIS 96 -0.665 24.916 7.507 593 HE2 HIS 96 HE2 HIS 96 0.744 23.720 9.211 594 H HIS 97 H HIS 97 -4.008 20.207 12.040 595 HA HIS 97 HA HIS 97 -6.742 19.261 11.850 596 HB2 HIS 97 HB2 HIS 97 -6.107 16.932 12.747 597 HB3 HIS 97 HB3 HIS 97 -5.739 17.231 11.052 598 HD1 HIS 97 HD1 HIS 97 -3.952 17.150 14.423 599 HD2 HIS 97 HD2 HIS 97 -3.126 16.780 10.368 600 HE1 HIS 97 HE1 HIS 97 -1.529 16.518 14.275 601 HE2 HIS 97 HE2 HIS 97 -1.106 16.151 11.830 602 H HIS 98 H HIS 98 -7.769 19.413 13.759 603 HA HIS 98 HA HIS 98 -6.541 20.560 16.073 604 HB2 HIS 98 HB2 HIS 98 -8.854 21.098 15.527 605 HB3 HIS 98 HB3 HIS 98 -9.320 19.403 15.579 606 HD1 HIS 98 HD1 HIS 98 -9.681 18.342 17.921 607 HD2 HIS 98 HD2 HIS 98 -8.681 22.375 18.057 608 HE1 HIS 98 HE1 HIS 98 -10.158 19.076 20.267 609 HE2 HIS 98 HE2 HIS 98 -9.731 21.551 20.270 610 H HIS 99 H HIS 99 -7.143 17.313 15.005 611 HA HIS 99 HA HIS 99 -6.636 15.254 15.761 612 HB2 HIS 99 HB2 HIS 99 -4.506 16.017 16.662 613 HB3 HIS 99 HB3 HIS 99 -5.277 16.693 18.086 614 HD1 HIS 99 HD1 HIS 99 -4.123 13.439 16.611 615 HD2 HIS 99 HD2 HIS 99 -5.831 14.827 20.140 616 HE1 HIS 99 HE1 HIS 99 -3.908 11.559 18.256 617 HE2 HIS 99 HE2 HIS 99 -4.977 12.403 20.367 Start of MODEL 20 1 H1 ALA 22 H1 ALA 22 0.508 1.964 8.853 2 H2 ALA 22 H2 ALA 22 -0.130 3.524 8.789 3 H3 ALA 22 H3 ALA 22 1.460 3.246 8.292 4 HA ALA 22 HA ALA 22 -0.035 3.559 6.430 5 HB1 ALA 22 HB1 ALA 22 0.659 1.549 5.173 6 HB2 ALA 22 HB2 ALA 22 1.091 0.750 6.687 7 HB3 ALA 22 HB3 ALA 22 1.981 2.179 6.158 8 H GLU 23 H GLU 23 -1.774 2.630 5.114 9 HA GLU 23 HA GLU 23 -3.658 0.831 6.538 10 HB2 GLU 23 HB2 GLU 23 -5.563 2.163 5.733 11 HB3 GLU 23 HB3 GLU 23 -4.494 3.162 6.707 12 HG2 GLU 23 HG2 GLU 23 -3.518 4.117 4.622 13 HG3 GLU 23 HG3 GLU 23 -4.655 3.164 3.673 14 H ILE 24 H ILE 24 -4.858 -0.547 5.213 15 HA ILE 24 HA ILE 24 -3.802 -1.078 2.552 16 HB ILE 24 HB ILE 24 -5.878 -2.504 4.276 17 HG12 ILE 24 HG12 ILE 24 -3.499 -2.785 4.943 18 HG13 ILE 24 HG13 ILE 24 -4.187 -4.302 4.383 19 HG21 ILE 24 HG21 ILE 24 -6.625 -2.793 1.965 20 HG22 ILE 24 HG22 ILE 24 -5.953 -4.309 2.562 21 HG23 ILE 24 HG23 ILE 24 -5.009 -3.298 1.466 22 HD11 ILE 24 HD11 ILE 24 -2.343 -2.500 2.811 23 HD12 ILE 24 HD12 ILE 24 -3.044 -4.010 2.224 24 HD13 ILE 24 HD13 ILE 24 -1.917 -4.029 3.580 25 H MET 25 H MET 25 -4.658 -0.415 0.752 26 HA MET 25 HA MET 25 -7.476 0.411 0.476 27 HB2 MET 25 HB2 MET 25 -5.003 1.909 -0.548 28 HB3 MET 25 HB3 MET 25 -6.647 2.270 -1.059 29 HG2 MET 25 HG2 MET 25 -5.960 2.392 1.862 30 HG3 MET 25 HG3 MET 25 -5.484 3.703 0.797 31 HE1 MET 25 HE1 MET 25 -7.675 4.298 -1.195 32 HE2 MET 25 HE2 MET 25 -7.059 5.535 -0.101 33 HE3 MET 25 HE3 MET 25 -8.799 5.316 -0.295 34 H LYS 26 H LYS 26 -8.319 -0.803 -1.137 35 HA LYS 26 HA LYS 26 -6.767 -2.268 -3.068 36 HB2 LYS 26 HB2 LYS 26 -9.739 -1.558 -3.024 37 HB3 LYS 26 HB3 LYS 26 -9.002 -2.651 -4.196 38 HG2 LYS 26 HG2 LYS 26 -8.363 -4.191 -2.375 39 HG3 LYS 26 HG3 LYS 26 -9.082 -3.096 -1.189 40 HD2 LYS 26 HD2 LYS 26 -11.307 -3.444 -2.175 41 HD3 LYS 26 HD3 LYS 26 -10.611 -4.460 -3.442 42 HE2 LYS 26 HE2 LYS 26 -9.911 -6.111 -1.720 43 HE3 LYS 26 HE3 LYS 26 -10.635 -5.102 -0.463 44 HZ1 LYS 26 HZ1 LYS 26 -12.791 -5.410 -1.535 45 HZ2 LYS 26 HZ2 LYS 26 -12.099 -6.888 -1.108 46 HZ3 LYS 26 HZ3 LYS 26 -12.077 -6.385 -2.718 47 H LYS 27 H LYS 27 -6.684 -1.816 -5.390 48 HA LYS 27 HA LYS 27 -5.696 0.747 -5.920 49 HB2 LYS 27 HB2 LYS 27 -5.376 -1.592 -7.163 50 HB3 LYS 27 HB3 LYS 27 -6.670 -1.014 -8.196 51 HG2 LYS 27 HG2 LYS 27 -3.991 0.365 -7.770 52 HG3 LYS 27 HG3 LYS 27 -4.400 -0.650 -9.144 53 HD2 LYS 27 HD2 LYS 27 -5.675 2.018 -8.451 54 HD3 LYS 27 HD3 LYS 27 -4.486 1.739 -9.719 55 HE2 LYS 27 HE2 LYS 27 -6.122 0.249 -10.879 56 HE3 LYS 27 HE3 LYS 27 -7.317 0.627 -9.636 57 HZ1 LYS 27 HZ1 LYS 27 -7.709 2.015 -11.494 58 HZ2 LYS 27 HZ2 LYS 27 -6.094 2.490 -11.588 59 HZ3 LYS 27 HZ3 LYS 27 -7.049 3.001 -10.291 60 H THR 28 H THR 28 -8.868 -0.670 -6.663 61 HA THR 28 HA THR 28 -10.028 1.353 -8.208 62 HB THR 28 HB THR 28 -11.421 -0.493 -6.213 63 HG1 THR 28 HG1 THR 28 -10.736 -0.865 -8.959 64 HG21 THR 28 HG21 THR 28 -13.403 -0.279 -7.678 65 HG22 THR 28 HG22 THR 28 -12.542 0.873 -8.699 66 HG23 THR 28 HG23 THR 28 -12.936 1.296 -7.031 67 H ASP 29 H ASP 29 -10.112 0.907 -4.661 68 HA ASP 29 HA ASP 29 -11.789 3.154 -4.081 69 HB2 ASP 29 HB2 ASP 29 -11.438 1.057 -2.634 70 HB3 ASP 29 HB3 ASP 29 -9.885 1.730 -2.155 71 H PHE 30 H PHE 30 -8.313 2.567 -3.936 72 HA PHE 30 HA PHE 30 -7.406 5.025 -2.936 73 HB2 PHE 30 HB2 PHE 30 -5.906 3.130 -2.966 74 HB3 PHE 30 HB3 PHE 30 -6.060 2.944 -4.712 75 HD1 PHE 30 HD1 PHE 30 -4.922 5.439 -2.140 76 HD2 PHE 30 HD2 PHE 30 -4.392 3.893 -6.092 77 HE1 PHE 30 HE1 PHE 30 -2.985 6.899 -2.463 78 HE2 PHE 30 HE2 PHE 30 -2.446 5.359 -6.397 79 HZ PHE 30 HZ PHE 30 -1.748 6.863 -4.583 80 H ASP 31 H ASP 31 -8.081 3.947 -6.215 81 HA ASP 31 HA ASP 31 -6.736 5.817 -7.745 82 HB2 ASP 31 HB2 ASP 31 -7.823 3.735 -8.588 83 HB3 ASP 31 HB3 ASP 31 -9.399 4.482 -8.381 84 H LYS 32 H LYS 32 -9.936 6.010 -6.333 85 HA LYS 32 HA LYS 32 -11.110 8.261 -7.411 86 HB2 LYS 32 HB2 LYS 32 -11.192 7.509 -4.455 87 HB3 LYS 32 HB3 LYS 32 -12.420 8.401 -5.340 88 HG2 LYS 32 HG2 LYS 32 -11.701 5.483 -5.770 89 HG3 LYS 32 HG3 LYS 32 -13.100 6.080 -4.873 90 HD2 LYS 32 HD2 LYS 32 -13.963 7.140 -6.955 91 HD3 LYS 32 HD3 LYS 32 -12.580 6.491 -7.845 92 HE2 LYS 32 HE2 LYS 32 -13.318 4.198 -7.381 93 HE3 LYS 32 HE3 LYS 32 -14.641 4.802 -6.380 94 HZ1 LYS 32 HZ1 LYS 32 -15.478 4.220 -8.507 95 HZ2 LYS 32 HZ2 LYS 32 -14.326 5.158 -9.306 96 HZ3 LYS 32 HZ3 LYS 32 -15.530 5.905 -8.382 97 H VAL 33 H VAL 33 -8.630 8.083 -4.895 98 HA VAL 33 HA VAL 33 -8.322 11.035 -4.853 99 HB VAL 33 HB VAL 33 -7.686 10.824 -2.419 100 HG11 VAL 33 HG11 VAL 33 -9.975 11.536 -3.029 101 HG12 VAL 33 HG12 VAL 33 -9.992 10.590 -1.540 102 HG13 VAL 33 HG13 VAL 33 -10.504 9.852 -3.060 103 HG21 VAL 33 HG21 VAL 33 -8.281 8.752 -1.169 104 HG22 VAL 33 HG22 VAL 33 -7.035 8.434 -2.377 105 HG23 VAL 33 HG23 VAL 33 -8.705 7.957 -2.689 106 H ALA 34 H ALA 34 -6.926 8.799 -6.365 107 HA ALA 34 HA ALA 34 -4.500 7.997 -5.272 108 HB1 ALA 34 HB1 ALA 34 -5.461 7.048 -7.313 109 HB2 ALA 34 HB2 ALA 34 -3.787 7.530 -7.577 110 HB3 ALA 34 HB3 ALA 34 -5.103 8.536 -8.193 111 H SER 35 H SER 35 -5.162 10.910 -7.136 112 HA SER 35 HA SER 35 -2.508 11.782 -7.550 113 HB2 SER 35 HB2 SER 35 -4.371 12.485 -8.981 114 HB3 SER 35 HB3 SER 35 -5.138 13.313 -7.627 115 HG SER 35 HG SER 35 -3.998 14.969 -8.155 116 H GLU 36 H GLU 36 -4.573 12.021 -4.761 117 HA GLU 36 HA GLU 36 -3.290 14.312 -3.528 118 HB2 GLU 36 HB2 GLU 36 -5.178 12.180 -2.441 119 HB3 GLU 36 HB3 GLU 36 -4.618 13.548 -1.493 120 HG2 GLU 36 HG2 GLU 36 -6.201 13.799 -4.068 121 HG3 GLU 36 HG3 GLU 36 -6.917 13.817 -2.456 122 H TYR 37 H TYR 37 -2.184 11.222 -4.132 123 HA TYR 37 HA TYR 37 -0.393 11.157 -1.761 124 HB2 TYR 37 HB2 TYR 37 -1.653 8.783 -3.229 125 HB3 TYR 37 HB3 TYR 37 -0.466 8.652 -1.927 126 HD1 TYR 37 HD1 TYR 37 -1.097 9.217 0.401 127 HD2 TYR 37 HD2 TYR 37 -3.998 9.418 -2.727 128 HE1 TYR 37 HE1 TYR 37 -2.872 9.433 2.065 129 HE2 TYR 37 HE2 TYR 37 -5.782 9.611 -1.051 130 HH TYR 37 HH TYR 37 -6.152 9.048 1.342 131 H THR 38 H THR 38 1.698 10.088 -2.177 132 HA THR 38 HA THR 38 2.710 10.544 -4.917 133 HB THR 38 HB THR 38 3.470 12.356 -3.447 134 HG1 THR 38 HG1 THR 38 4.910 11.374 -5.066 135 HG21 THR 38 HG21 THR 38 4.971 12.011 -1.546 136 HG22 THR 38 HG22 THR 38 4.802 10.260 -1.698 137 HG23 THR 38 HG23 THR 38 3.408 11.245 -1.247 138 H LYS 39 H LYS 39 3.685 8.863 -5.828 139 HA LYS 39 HA LYS 39 3.818 6.296 -4.558 140 HB2 LYS 39 HB2 LYS 39 3.332 6.829 -7.042 141 HB3 LYS 39 HB3 LYS 39 5.062 7.079 -7.232 142 HG2 LYS 39 HG2 LYS 39 5.415 4.695 -6.467 143 HG3 LYS 39 HG3 LYS 39 3.657 4.501 -6.460 144 HD2 LYS 39 HD2 LYS 39 3.771 5.296 -8.948 145 HD3 LYS 39 HD3 LYS 39 5.497 4.949 -8.828 146 HE2 LYS 39 HE2 LYS 39 4.394 3.026 -9.789 147 HE3 LYS 39 HE3 LYS 39 4.895 2.582 -8.152 148 HZ1 LYS 39 HZ1 LYS 39 2.630 1.875 -8.674 149 HZ2 LYS 39 HZ2 LYS 39 2.168 3.484 -8.920 150 HZ3 LYS 39 HZ3 LYS 39 2.661 2.967 -7.390 151 H ILE 40 H ILE 40 5.389 5.930 -3.050 152 HA ILE 40 HA ILE 40 8.098 7.035 -3.489 153 HB ILE 40 HB ILE 40 8.578 6.599 -1.134 154 HG12 ILE 40 HG12 ILE 40 5.707 5.615 -0.786 155 HG13 ILE 40 HG13 ILE 40 7.088 4.535 -0.916 156 HG21 ILE 40 HG21 ILE 40 5.933 8.069 -1.489 157 HG22 ILE 40 HG22 ILE 40 7.545 8.753 -1.701 158 HG23 ILE 40 HG23 ILE 40 7.016 8.232 -0.102 159 HD11 ILE 40 HD11 ILE 40 6.423 4.826 1.380 160 HD12 ILE 40 HD12 ILE 40 6.628 6.572 1.253 161 HD13 ILE 40 HD13 ILE 40 8.031 5.505 1.128 162 H GLY 41 H GLY 41 6.426 4.160 -4.008 163 HA2 GLY 41 HA2 GLY 41 8.429 2.826 -5.268 164 HA3 GLY 41 HA3 GLY 41 8.632 2.324 -3.592 165 H THR 42 H THR 42 8.247 0.278 -4.977 166 HA THR 42 HA THR 42 5.447 -0.554 -4.431 167 HB THR 42 HB THR 42 7.266 -1.930 -6.474 168 HG1 THR 42 HG1 THR 42 5.253 -0.010 -7.077 169 HG21 THR 42 HG21 THR 42 5.169 -2.867 -7.340 170 HG22 THR 42 HG22 THR 42 4.235 -1.932 -6.172 171 HG23 THR 42 HG23 THR 42 5.302 -3.225 -5.613 172 H ILE 43 H ILE 43 5.312 -2.186 -2.931 173 HA ILE 43 HA ILE 43 7.731 -3.723 -2.170 174 HB ILE 43 HB ILE 43 6.639 -4.178 0.014 175 HG12 ILE 43 HG12 ILE 43 4.447 -2.247 -0.904 176 HG13 ILE 43 HG13 ILE 43 4.248 -3.981 -0.698 177 HG21 ILE 43 HG21 ILE 43 6.844 -1.201 -0.580 178 HG22 ILE 43 HG22 ILE 43 8.185 -2.271 -0.167 179 HG23 ILE 43 HG23 ILE 43 6.924 -1.942 1.021 180 HD11 ILE 43 HD11 ILE 43 4.664 -3.717 1.712 181 HD12 ILE 43 HD12 ILE 43 3.278 -2.785 1.149 182 HD13 ILE 43 HD13 ILE 43 4.808 -1.974 1.477 183 H SER 44 H SER 44 7.373 -5.959 -1.559 184 HA SER 44 HA SER 44 4.997 -7.330 -2.573 185 HB2 SER 44 HB2 SER 44 6.405 -8.858 -4.002 186 HB3 SER 44 HB3 SER 44 6.403 -7.195 -4.581 187 HG SER 44 HG SER 44 8.422 -7.827 -2.793 188 H THR 45 H THR 45 4.723 -9.403 -1.658 189 HA THR 45 HA THR 45 6.305 -9.955 0.757 190 HB THR 45 HB THR 45 4.514 -11.566 1.341 191 HG1 THR 45 HG1 THR 45 3.842 -12.280 -0.684 192 HG21 THR 45 HG21 THR 45 3.366 -8.886 0.465 193 HG22 THR 45 HG22 THR 45 4.165 -9.211 2.007 194 HG23 THR 45 HG23 THR 45 2.629 -9.993 1.627 195 H THR 46 H THR 46 6.835 -12.269 1.223 196 HA THR 46 HA THR 46 8.065 -13.570 -1.075 197 HB THR 46 HB THR 46 8.103 -14.529 1.827 198 HG1 THR 46 HG1 THR 46 9.303 -12.348 0.663 199 HG21 THR 46 HG21 THR 46 10.060 -15.003 -0.460 200 HG22 THR 46 HG22 THR 46 8.899 -16.188 0.149 201 HG23 THR 46 HG23 THR 46 10.216 -15.623 1.182 202 H GLY 47 H GLY 47 6.114 -14.127 -2.187 203 HA2 GLY 47 HA2 GLY 47 4.992 -15.953 -3.058 204 HA3 GLY 47 HA3 GLY 47 5.366 -16.865 -1.609 205 H GLU 48 H GLU 48 3.208 -17.666 -1.948 206 HA GLU 48 HA GLU 48 0.872 -16.005 -1.756 207 HB2 GLU 48 HB2 GLU 48 1.239 -19.031 -1.695 208 HB3 GLU 48 HB3 GLU 48 -0.339 -18.258 -1.605 209 HG2 GLU 48 HG2 GLU 48 0.186 -19.104 -3.857 210 HG3 GLU 48 HG3 GLU 48 -0.099 -17.365 -3.836 211 H MET 49 H MET 49 0.620 -14.975 0.148 212 HA MET 49 HA MET 49 0.541 -16.585 2.633 213 HB2 MET 49 HB2 MET 49 0.890 -13.567 2.312 214 HB3 MET 49 HB3 MET 49 0.752 -14.407 3.853 215 HG2 MET 49 HG2 MET 49 2.829 -15.769 2.969 216 HG3 MET 49 HG3 MET 49 3.038 -14.381 1.910 217 HE1 MET 49 HE1 MET 49 3.189 -11.887 2.854 218 HE2 MET 49 HE2 MET 49 3.478 -11.478 4.542 219 HE3 MET 49 HE3 MET 49 1.886 -12.041 4.032 220 H SER 50 H SER 50 -1.130 -16.092 4.127 221 HA SER 50 HA SER 50 -3.733 -16.243 3.119 222 HB2 SER 50 HB2 SER 50 -2.892 -15.407 5.935 223 HB3 SER 50 HB3 SER 50 -4.440 -16.119 5.474 224 HG SER 50 HG SER 50 -1.973 -17.439 5.021 225 HA PRO 51 HA PRO 51 -4.869 -12.256 1.793 226 HB2 PRO 51 HB2 PRO 51 -7.443 -11.830 2.872 227 HB3 PRO 51 HB3 PRO 51 -7.076 -12.773 1.417 228 HG2 PRO 51 HG2 PRO 51 -7.533 -13.727 4.216 229 HG3 PRO 51 HG3 PRO 51 -8.089 -14.432 2.680 230 HD2 PRO 51 HD2 PRO 51 -6.017 -15.500 3.991 231 HD3 PRO 51 HD3 PRO 51 -6.004 -15.396 2.214 232 H LEU 52 H LEU 52 -6.121 -12.247 5.195 233 HA LEU 52 HA LEU 52 -5.620 -9.451 5.583 234 HB2 LEU 52 HB2 LEU 52 -6.158 -11.635 7.640 235 HB3 LEU 52 HB3 LEU 52 -5.994 -9.939 8.043 236 HG LEU 52 HG LEU 52 -8.317 -10.391 8.062 237 HD11 LEU 52 HD11 LEU 52 -7.764 -9.041 5.405 238 HD12 LEU 52 HD12 LEU 52 -7.772 -8.262 6.989 239 HD13 LEU 52 HD13 LEU 52 -9.261 -8.942 6.338 240 HD21 LEU 52 HD21 LEU 52 -9.579 -11.449 6.255 241 HD22 LEU 52 HD22 LEU 52 -8.332 -12.527 6.873 242 HD23 LEU 52 HD23 LEU 52 -8.092 -11.694 5.333 243 H ASP 53 H ASP 53 -3.825 -12.401 6.278 244 HA ASP 53 HA ASP 53 -1.806 -11.418 7.969 245 HB2 ASP 53 HB2 ASP 53 -2.204 -13.807 7.618 246 HB3 ASP 53 HB3 ASP 53 -1.756 -13.672 5.923 247 H ALA 54 H ALA 54 -1.945 -11.648 4.452 248 HA ALA 54 HA ALA 54 0.629 -10.663 3.814 249 HB1 ALA 54 HB1 ALA 54 -1.909 -10.628 2.117 250 HB2 ALA 54 HB2 ALA 54 -0.734 -11.942 2.193 251 HB3 ALA 54 HB3 ALA 54 -0.261 -10.384 1.519 252 H ARG 55 H ARG 55 -2.553 -9.158 4.135 253 HA ARG 55 HA ARG 55 -1.957 -6.510 3.428 254 HB2 ARG 55 HB2 ARG 55 -4.049 -7.707 5.278 255 HB3 ARG 55 HB3 ARG 55 -3.982 -5.977 4.956 256 HG2 ARG 55 HG2 ARG 55 -4.389 -6.355 2.578 257 HG3 ARG 55 HG3 ARG 55 -4.333 -8.106 2.818 258 HD2 ARG 55 HD2 ARG 55 -6.652 -7.221 2.631 259 HD3 ARG 55 HD3 ARG 55 -6.356 -8.036 4.171 260 HE ARG 55 HE ARG 55 -5.839 -5.369 4.646 261 HH11 ARG 55 HH11 ARG 55 -8.644 -7.167 3.560 262 HH12 ARG 55 HH12 ARG 55 -9.769 -6.028 4.237 263 HH21 ARG 55 HH21 ARG 55 -7.326 -3.913 5.527 264 HH22 ARG 55 HH22 ARG 55 -9.030 -4.200 5.341 265 H GLU 56 H GLU 56 -1.744 -8.138 6.590 266 HA GLU 56 HA GLU 56 -1.071 -5.882 8.179 267 HB2 GLU 56 HB2 GLU 56 -0.470 -8.848 8.599 268 HB3 GLU 56 HB3 GLU 56 -0.263 -7.605 9.831 269 HG2 GLU 56 HG2 GLU 56 -2.665 -7.158 9.839 270 HG3 GLU 56 HG3 GLU 56 -2.905 -8.310 8.530 271 H ASP 57 H ASP 57 0.857 -8.299 6.471 272 HA ASP 57 HA ASP 57 3.424 -7.451 7.369 273 HB2 ASP 57 HB2 ASP 57 2.902 -9.724 6.460 274 HB3 ASP 57 HB3 ASP 57 2.678 -9.020 4.863 275 H LEU 58 H LEU 58 1.397 -6.618 4.614 276 HA LEU 58 HA LEU 58 3.295 -5.025 3.189 277 HB2 LEU 58 HB2 LEU 58 0.262 -5.179 3.060 278 HB3 LEU 58 HB3 LEU 58 1.214 -4.162 1.993 279 HG LEU 58 HG LEU 58 1.498 -7.189 2.135 280 HD11 LEU 58 HD11 LEU 58 -0.015 -5.554 0.077 281 HD12 LEU 58 HD12 LEU 58 -0.721 -6.628 1.288 282 HD13 LEU 58 HD13 LEU 58 0.287 -7.294 0.007 283 HD21 LEU 58 HD21 LEU 58 3.547 -6.076 1.348 284 HD22 LEU 58 HD22 LEU 58 2.626 -5.226 0.105 285 HD23 LEU 58 HD23 LEU 58 2.781 -6.984 0.045 286 H ILE 59 H ILE 59 0.735 -4.266 5.571 287 HA ILE 59 HA ILE 59 1.085 -1.453 5.698 288 HB ILE 59 HB ILE 59 0.174 -3.416 7.858 289 HG12 ILE 59 HG12 ILE 59 -1.438 -1.448 6.166 290 HG13 ILE 59 HG13 ILE 59 -1.341 -3.181 5.882 291 HG21 ILE 59 HG21 ILE 59 1.081 -1.438 9.014 292 HG22 ILE 59 HG22 ILE 59 -0.672 -1.482 9.174 293 HG23 ILE 59 HG23 ILE 59 0.078 -0.371 8.027 294 HD11 ILE 59 HD11 ILE 59 -2.557 -1.838 8.294 295 HD12 ILE 59 HD12 ILE 59 -2.439 -3.583 8.045 296 HD13 ILE 59 HD13 ILE 59 -3.418 -2.599 6.958 297 H LYS 60 H LYS 60 2.704 -4.135 7.358 298 HA LYS 60 HA LYS 60 4.291 -2.673 9.172 299 HB2 LYS 60 HB2 LYS 60 3.872 -5.118 9.329 300 HB3 LYS 60 HB3 LYS 60 4.850 -5.386 7.889 301 HG2 LYS 60 HG2 LYS 60 6.832 -4.480 9.119 302 HG3 LYS 60 HG3 LYS 60 5.827 -4.324 10.563 303 HD2 LYS 60 HD2 LYS 60 5.464 -6.765 10.594 304 HD3 LYS 60 HD3 LYS 60 6.411 -6.936 9.112 305 HE2 LYS 60 HE2 LYS 60 8.415 -6.089 10.294 306 HE3 LYS 60 HE3 LYS 60 7.468 -5.909 11.773 307 HZ1 LYS 60 HZ1 LYS 60 8.005 -8.458 10.357 308 HZ2 LYS 60 HZ2 LYS 60 7.105 -8.290 11.779 309 HZ3 LYS 60 HZ3 LYS 60 8.755 -7.933 11.778 310 H LYS 61 H LYS 61 5.104 -3.972 5.921 311 HA LYS 61 HA LYS 61 7.730 -2.961 5.707 312 HB2 LYS 61 HB2 LYS 61 5.720 -3.471 3.469 313 HB3 LYS 61 HB3 LYS 61 7.438 -3.175 3.224 314 HG2 LYS 61 HG2 LYS 61 7.947 -5.252 4.495 315 HG3 LYS 61 HG3 LYS 61 6.214 -5.557 4.643 316 HD2 LYS 61 HD2 LYS 61 6.057 -5.594 2.129 317 HD3 LYS 61 HD3 LYS 61 7.814 -5.423 2.053 318 HE2 LYS 61 HE2 LYS 61 6.268 -7.745 3.250 319 HE3 LYS 61 HE3 LYS 61 7.203 -7.759 1.758 320 HZ1 LYS 61 HZ1 LYS 61 8.304 -7.359 4.481 321 HZ2 LYS 61 HZ2 LYS 61 9.200 -7.381 3.050 322 HZ3 LYS 61 HZ3 LYS 61 8.407 -8.777 3.570 323 H ALA 62 H ALA 62 4.638 -1.626 4.567 324 HA ALA 62 HA ALA 62 5.596 0.760 3.427 325 HB1 ALA 62 HB1 ALA 62 3.255 1.517 3.513 326 HB2 ALA 62 HB2 ALA 62 2.862 0.196 4.617 327 HB3 ALA 62 HB3 ALA 62 3.368 -0.155 2.964 328 H ASP 63 H ASP 63 4.775 -0.033 6.768 329 HA ASP 63 HA ASP 63 4.773 2.654 7.789 330 HB2 ASP 63 HB2 ASP 63 3.671 0.679 8.932 331 HB3 ASP 63 HB3 ASP 63 5.269 0.044 9.304 332 H GLU 64 H GLU 64 7.176 0.003 7.684 333 HA GLU 64 HA GLU 64 9.417 1.379 8.726 334 HB2 GLU 64 HB2 GLU 64 9.282 -0.871 6.679 335 HB3 GLU 64 HB3 GLU 64 10.767 -0.340 7.456 336 HG2 GLU 64 HG2 GLU 64 8.373 -1.519 8.900 337 HG3 GLU 64 HG3 GLU 64 9.828 -2.407 8.450 338 H LYS 65 H LYS 65 7.933 1.454 5.546 339 HA LYS 65 HA LYS 65 10.074 3.028 4.317 340 HB2 LYS 65 HB2 LYS 65 7.342 2.223 3.230 341 HB3 LYS 65 HB3 LYS 65 8.617 2.995 2.297 342 HG2 LYS 65 HG2 LYS 65 8.762 0.237 3.547 343 HG3 LYS 65 HG3 LYS 65 8.475 0.576 1.844 344 HD2 LYS 65 HD2 LYS 65 11.010 1.316 3.359 345 HD3 LYS 65 HD3 LYS 65 10.827 -0.119 2.354 346 HE2 LYS 65 HE2 LYS 65 10.391 1.367 0.383 347 HE3 LYS 65 HE3 LYS 65 10.707 2.769 1.410 348 HZ1 LYS 65 HZ1 LYS 65 12.641 0.579 0.889 349 HZ2 LYS 65 HZ2 LYS 65 12.936 1.997 1.761 350 HZ3 LYS 65 HZ3 LYS 65 12.637 2.076 0.101 351 H GLY 66 H GLY 66 7.424 3.742 6.326 352 HA2 GLY 66 HA2 GLY 66 6.715 5.814 7.102 353 HA3 GLY 66 HA3 GLY 66 7.684 6.605 5.872 354 H ALA 67 H ALA 67 5.791 4.330 4.332 355 HA ALA 67 HA ALA 67 4.130 6.202 2.998 356 HB1 ALA 67 HB1 ALA 67 3.142 4.236 1.897 357 HB2 ALA 67 HB2 ALA 67 3.935 3.175 3.068 358 HB3 ALA 67 HB3 ALA 67 4.903 4.126 1.943 359 H ASP 68 H ASP 68 1.980 6.626 3.139 360 HA ASP 68 HA ASP 68 0.622 6.065 5.678 361 HB2 ASP 68 HB2 ASP 68 -0.093 7.909 3.349 362 HB3 ASP 68 HB3 ASP 68 -1.026 7.771 4.838 363 H VAL 69 H VAL 69 0.503 5.221 2.292 364 HA VAL 69 HA VAL 69 -1.973 3.634 2.648 365 HB VAL 69 HB VAL 69 -1.226 5.471 0.313 366 HG11 VAL 69 HG11 VAL 69 -3.520 3.462 0.380 367 HG12 VAL 69 HG12 VAL 69 -2.094 3.379 -0.656 368 HG13 VAL 69 HG13 VAL 69 -3.257 4.685 -0.865 369 HG21 VAL 69 HG21 VAL 69 -3.377 6.571 0.787 370 HG22 VAL 69 HG22 VAL 69 -2.321 6.597 2.200 371 HG23 VAL 69 HG23 VAL 69 -3.667 5.457 2.128 372 H VAL 70 H VAL 70 -2.016 1.672 1.719 373 HA VAL 70 HA VAL 70 0.302 0.640 0.180 374 HB VAL 70 HB VAL 70 -1.511 -1.072 1.961 375 HG11 VAL 70 HG11 VAL 70 1.261 -1.596 0.823 376 HG12 VAL 70 HG12 VAL 70 -0.257 -2.269 0.223 377 HG13 VAL 70 HG13 VAL 70 0.327 -2.707 1.826 378 HG21 VAL 70 HG21 VAL 70 0.217 -1.064 3.726 379 HG22 VAL 70 HG22 VAL 70 -0.459 0.546 3.476 380 HG23 VAL 70 HG23 VAL 70 1.133 0.150 2.829 381 H VAL 71 H VAL 71 -0.386 0.273 -1.881 382 HA VAL 71 HA VAL 71 -3.280 0.138 -2.458 383 HB VAL 71 HB VAL 71 -0.967 0.828 -4.334 384 HG11 VAL 71 HG11 VAL 71 -2.912 -0.040 -5.568 385 HG12 VAL 71 HG12 VAL 71 -2.730 1.690 -5.860 386 HG13 VAL 71 HG13 VAL 71 -3.974 1.110 -4.751 387 HG21 VAL 71 HG21 VAL 71 -1.179 2.503 -2.554 388 HG22 VAL 71 HG22 VAL 71 -2.902 2.682 -2.898 389 HG23 VAL 71 HG23 VAL 71 -1.708 3.175 -4.099 390 H LEU 72 H LEU 72 -3.921 -1.934 -2.540 391 HA LEU 72 HA LEU 72 -2.327 -4.152 -3.346 392 HB2 LEU 72 HB2 LEU 72 -5.362 -4.008 -3.143 393 HB3 LEU 72 HB3 LEU 72 -4.403 -5.477 -3.230 394 HG LEU 72 HG LEU 72 -4.526 -3.512 -0.910 395 HD11 LEU 72 HD11 LEU 72 -5.353 -6.431 -1.096 396 HD12 LEU 72 HD12 LEU 72 -6.439 -5.039 -1.028 397 HD13 LEU 72 HD13 LEU 72 -5.419 -5.425 0.355 398 HD21 LEU 72 HD21 LEU 72 -2.716 -5.943 -1.180 399 HD22 LEU 72 HD22 LEU 72 -2.951 -4.997 0.291 400 HD23 LEU 72 HD23 LEU 72 -2.201 -4.254 -1.118 401 H THR 73 H THR 73 -1.498 -3.743 -5.380 402 HA THR 73 HA THR 73 -3.313 -3.720 -7.711 403 HB THR 73 HB THR 73 -1.192 -3.386 -9.024 404 HG1 THR 73 HG1 THR 73 0.438 -2.667 -7.016 405 HG21 THR 73 HG21 THR 73 -2.480 -1.409 -8.287 406 HG22 THR 73 HG22 THR 73 -0.751 -1.067 -8.258 407 HG23 THR 73 HG23 THR 73 -1.606 -1.394 -6.750 408 H SER 74 H SER 74 -1.937 -5.922 -5.689 409 HA SER 74 HA SER 74 -1.025 -8.029 -7.284 410 HB2 SER 74 HB2 SER 74 -1.741 -9.428 -5.233 411 HB3 SER 74 HB3 SER 74 -0.629 -8.094 -4.918 412 HG SER 74 HG SER 74 -2.098 -7.156 -3.740 413 H GLY 75 H GLY 75 -4.300 -7.048 -6.373 414 HA2 GLY 75 HA2 GLY 75 -6.383 -7.852 -6.972 415 HA3 GLY 75 HA3 GLY 75 -5.611 -8.948 -8.121 416 H GLN 76 H GLN 76 -5.822 -8.376 -4.619 417 HA GLN 76 HA GLN 76 -4.989 -10.953 -3.821 418 HB2 GLN 76 HB2 GLN 76 -4.748 -8.947 -2.387 419 HB3 GLN 76 HB3 GLN 76 -6.497 -8.836 -2.231 420 HG2 GLN 76 HG2 GLN 76 -6.575 -10.923 -0.989 421 HG3 GLN 76 HG3 GLN 76 -4.856 -11.196 -1.262 422 HE21 GLN 76 HE21 GLN 76 -3.354 -10.011 -0.059 423 HE22 GLN 76 HE22 GLN 76 -3.795 -9.132 1.359 424 H THR 77 H THR 77 -6.199 -12.452 -4.889 425 HA THR 77 HA THR 77 -9.046 -12.839 -4.197 426 HB THR 77 HB THR 77 -8.482 -12.758 -6.614 427 HG1 THR 77 HG1 THR 77 -9.201 -15.408 -5.824 428 HG21 THR 77 HG21 THR 77 -6.784 -15.232 -6.120 429 HG22 THR 77 HG22 THR 77 -6.170 -13.628 -6.541 430 HG23 THR 77 HG23 THR 77 -7.157 -14.534 -7.692 431 H GLU 78 H GLU 78 -6.171 -13.582 -2.971 432 HA GLU 78 HA GLU 78 -5.332 -14.998 -1.456 433 HB2 GLU 78 HB2 GLU 78 -7.642 -15.247 -0.574 434 HB3 GLU 78 HB3 GLU 78 -7.911 -16.599 -1.666 435 HG2 GLU 78 HG2 GLU 78 -6.064 -17.834 -0.504 436 HG3 GLU 78 HG3 GLU 78 -5.919 -16.488 0.625 437 H ASN 79 H ASN 79 -7.105 -16.934 -3.883 438 HA ASN 79 HA ASN 79 -5.284 -19.028 -4.194 439 HB2 ASN 79 HB2 ASN 79 -7.579 -19.212 -4.999 440 HB3 ASN 79 HB3 ASN 79 -7.344 -17.870 -6.112 441 HD21 ASN 79 HD21 ASN 79 -6.218 -18.231 -8.064 442 HD22 ASN 79 HD22 ASN 79 -5.876 -19.823 -8.650 443 H LYS 80 H LYS 80 -3.226 -18.532 -4.512 444 HA LYS 80 HA LYS 80 -1.276 -18.072 -5.526 445 HB2 LYS 80 HB2 LYS 80 -2.907 -17.702 -8.075 446 HB3 LYS 80 HB3 LYS 80 -1.164 -17.943 -7.992 447 HG2 LYS 80 HG2 LYS 80 -1.528 -20.214 -7.058 448 HG3 LYS 80 HG3 LYS 80 -3.273 -19.959 -7.148 449 HD2 LYS 80 HD2 LYS 80 -3.065 -19.694 -9.637 450 HD3 LYS 80 HD3 LYS 80 -1.343 -20.065 -9.504 451 HE2 LYS 80 HE2 LYS 80 -3.644 -21.922 -8.790 452 HE3 LYS 80 HE3 LYS 80 -2.588 -22.053 -10.197 453 HZ1 LYS 80 HZ1 LYS 80 -1.901 -23.588 -8.510 454 HZ2 LYS 80 HZ2 LYS 80 -1.787 -22.357 -7.359 455 HZ3 LYS 80 HZ3 LYS 80 -0.720 -22.388 -8.666 456 H ILE 81 H ILE 81 -1.255 -16.171 -4.152 457 HA ILE 81 HA ILE 81 -1.070 -13.672 -5.717 458 HB ILE 81 HB ILE 81 -1.674 -12.371 -3.625 459 HG12 ILE 81 HG12 ILE 81 -2.786 -15.021 -2.563 460 HG13 ILE 81 HG13 ILE 81 -1.311 -14.271 -1.968 461 HG21 ILE 81 HG21 ILE 81 -3.888 -14.141 -4.742 462 HG22 ILE 81 HG22 ILE 81 -3.305 -12.631 -5.447 463 HG23 ILE 81 HG23 ILE 81 -4.125 -12.614 -3.887 464 HD11 ILE 81 HD11 ILE 81 -4.091 -13.120 -1.787 465 HD12 ILE 81 HD12 ILE 81 -2.620 -12.336 -1.208 466 HD13 ILE 81 HD13 ILE 81 -3.162 -13.847 -0.478 467 H HIS 82 H HIS 82 1.082 -13.621 -6.044 468 HA HIS 82 HA HIS 82 3.054 -14.475 -4.163 469 HB2 HIS 82 HB2 HIS 82 4.717 -13.436 -5.735 470 HB3 HIS 82 HB3 HIS 82 3.601 -14.539 -6.526 471 HD1 HIS 82 HD1 HIS 82 2.269 -13.632 -8.466 472 HD2 HIS 82 HD2 HIS 82 4.170 -10.619 -6.315 473 HE1 HIS 82 HE1 HIS 82 1.982 -11.546 -9.829 474 HE2 HIS 82 HE2 HIS 82 3.241 -9.763 -8.581 475 H GLY 83 H GLY 83 1.232 -11.617 -4.397 476 HA2 GLY 83 HA2 GLY 83 1.069 -9.936 -2.809 477 HA3 GLY 83 HA3 GLY 83 2.643 -10.379 -2.168 478 H THR 84 H THR 84 0.962 -8.196 -4.101 479 HA THR 84 HA THR 84 3.382 -6.625 -4.513 480 HB THR 84 HB THR 84 2.214 -5.930 -6.872 481 HG1 THR 84 HG1 THR 84 1.044 -7.479 -7.775 482 HG21 THR 84 HG21 THR 84 3.739 -7.443 -8.079 483 HG22 THR 84 HG22 THR 84 3.994 -8.380 -6.606 484 HG23 THR 84 HG23 THR 84 4.551 -6.704 -6.695 485 H ALA 85 H ALA 85 3.033 -4.591 -3.863 486 HA ALA 85 HA ALA 85 0.439 -3.297 -4.045 487 HB1 ALA 85 HB1 ALA 85 1.674 -3.849 -1.312 488 HB2 ALA 85 HB2 ALA 85 0.192 -4.573 -1.941 489 HB3 ALA 85 HB3 ALA 85 0.256 -2.839 -1.623 490 H ASP 86 H ASP 86 0.768 -1.152 -4.389 491 HA ASP 86 HA ASP 86 3.537 -0.142 -4.338 492 HB2 ASP 86 HB2 ASP 86 0.983 1.095 -5.468 493 HB3 ASP 86 HB3 ASP 86 2.600 1.787 -5.622 494 H ILE 87 H ILE 87 4.262 1.396 -2.987 495 HA ILE 87 HA ILE 87 2.490 2.148 -0.746 496 HB ILE 87 HB ILE 87 4.684 2.761 0.409 497 HG12 ILE 87 HG12 ILE 87 5.920 1.291 -1.967 498 HG13 ILE 87 HG13 ILE 87 6.110 3.003 -1.621 499 HG21 ILE 87 HG21 ILE 87 4.326 -0.133 -0.451 500 HG22 ILE 87 HG22 ILE 87 3.489 0.668 0.882 501 HG23 ILE 87 HG23 ILE 87 5.232 0.417 0.963 502 HD11 ILE 87 HD11 ILE 87 7.124 0.738 0.081 503 HD12 ILE 87 HD12 ILE 87 7.346 2.459 0.405 504 HD13 ILE 87 HD13 ILE 87 8.075 1.727 -1.024 505 H TYR 88 H TYR 88 1.973 4.164 -0.278 506 HA TYR 88 HA TYR 88 3.009 6.434 -1.864 507 HB2 TYR 88 HB2 TYR 88 0.090 5.638 -1.486 508 HB3 TYR 88 HB3 TYR 88 0.561 7.270 -1.930 509 HD1 TYR 88 HD2 TYR 88 0.818 3.712 -3.105 510 HD2 TYR 88 HD1 TYR 88 0.846 7.832 -4.238 511 HE1 TYR 88 HE2 TYR 88 0.727 3.073 -5.473 512 HE2 TYR 88 HE1 TYR 88 0.759 7.176 -6.605 513 HH TYR 88 HH TYR 88 0.019 4.022 -7.623 514 H LYS 89 H LYS 89 2.994 8.407 -0.813 515 HA LYS 89 HA LYS 89 2.157 8.468 2.046 516 HB2 LYS 89 HB2 LYS 89 4.338 10.036 0.599 517 HB3 LYS 89 HB3 LYS 89 3.783 10.422 2.220 518 HG2 LYS 89 HG2 LYS 89 4.417 8.000 2.842 519 HG3 LYS 89 HG3 LYS 89 5.243 7.947 1.283 520 HD2 LYS 89 HD2 LYS 89 6.853 8.489 3.012 521 HD3 LYS 89 HD3 LYS 89 6.623 9.911 1.991 522 HE2 LYS 89 HE2 LYS 89 5.095 10.874 3.688 523 HE3 LYS 89 HE3 LYS 89 5.328 9.452 4.707 524 HZ1 LYS 89 HZ1 LYS 89 6.714 11.240 5.436 525 HZ2 LYS 89 HZ2 LYS 89 7.404 11.406 3.907 526 HZ3 LYS 89 HZ3 LYS 89 7.689 10.011 4.814 527 H LYS 90 H LYS 90 1.115 10.411 2.813 528 HA LYS 90 HA LYS 90 -0.704 11.479 0.821 529 HB2 LYS 90 HB2 LYS 90 -1.415 10.749 3.166 530 HB3 LYS 90 HB3 LYS 90 -0.641 12.209 3.785 531 HG2 LYS 90 HG2 LYS 90 -2.144 13.592 2.393 532 HG3 LYS 90 HG3 LYS 90 -2.892 12.142 1.741 533 HD2 LYS 90 HD2 LYS 90 -3.655 11.551 4.055 534 HD3 LYS 90 HD3 LYS 90 -2.995 13.086 4.631 535 HE2 LYS 90 HE2 LYS 90 -5.417 13.262 4.256 536 HE3 LYS 90 HE3 LYS 90 -4.551 14.309 3.132 537 HZ1 LYS 90 HZ1 LYS 90 -6.344 13.097 2.047 538 HZ2 LYS 90 HZ2 LYS 90 -5.651 11.616 2.490 539 HZ3 LYS 90 HZ3 LYS 90 -4.847 12.638 1.411 540 H LYS 91 H LYS 91 -0.357 13.281 -0.288 541 HA LYS 91 HA LYS 91 1.738 15.160 0.261 542 HB2 LYS 91 HB2 LYS 91 -0.606 15.395 -1.686 543 HB3 LYS 91 HB3 LYS 91 0.821 16.428 -1.671 544 HG2 LYS 91 HG2 LYS 91 2.224 14.422 -2.201 545 HG3 LYS 91 HG3 LYS 91 0.743 13.465 -2.325 546 HD2 LYS 91 HD2 LYS 91 -0.046 14.933 -4.169 547 HD3 LYS 91 HD3 LYS 91 1.438 15.883 -4.042 548 HE2 LYS 91 HE2 LYS 91 2.741 13.798 -4.600 549 HE3 LYS 91 HE3 LYS 91 1.206 12.970 -4.878 550 HZ1 LYS 91 HZ1 LYS 91 2.107 15.389 -6.324 551 HZ2 LYS 91 HZ2 LYS 91 0.719 14.486 -6.650 552 HZ3 LYS 91 HZ3 LYS 91 2.246 13.812 -6.906 553 H LEU 92 H LEU 92 1.602 16.562 1.893 554 HA LEU 92 HA LEU 92 -0.930 17.990 2.426 555 HB2 LEU 92 HB2 LEU 92 -0.059 16.117 4.099 556 HB3 LEU 92 HB3 LEU 92 1.072 17.347 4.616 557 HG LEU 92 HG LEU 92 -1.955 17.603 4.717 558 HD11 LEU 92 HD11 LEU 92 -0.024 17.039 6.991 559 HD12 LEU 92 HD12 LEU 92 -1.181 15.900 6.298 560 HD13 LEU 92 HD13 LEU 92 -1.761 17.325 7.155 561 HD21 LEU 92 HD21 LEU 92 -0.925 19.816 4.524 562 HD22 LEU 92 HD22 LEU 92 0.149 19.464 5.878 563 HD23 LEU 92 HD23 LEU 92 -1.592 19.592 6.140 564 H GLU 93 H GLU 93 -0.509 19.940 1.530 565 HA GLU 93 HA GLU 93 1.626 21.575 2.669 566 HB2 GLU 93 HB2 GLU 93 2.683 20.725 0.618 567 HB3 GLU 93 HB3 GLU 93 1.287 21.199 -0.346 568 HG2 GLU 93 HG2 GLU 93 1.752 23.555 0.064 569 HG3 GLU 93 HG3 GLU 93 3.067 23.141 1.161 570 H HIS 94 H HIS 94 0.965 23.592 3.029 571 HA HIS 94 HA HIS 94 -1.420 24.706 1.710 572 HB2 HIS 94 HB2 HIS 94 -0.976 24.495 4.725 573 HB3 HIS 94 HB3 HIS 94 -2.129 25.617 4.004 574 HD1 HIS 94 HD1 HIS 94 -2.025 22.351 5.433 575 HD2 HIS 94 HD2 HIS 94 -4.062 24.082 2.246 576 HE1 HIS 94 HE1 HIS 94 -3.970 20.831 4.971 577 HE2 HIS 94 HE2 HIS 94 -5.076 21.805 2.936 578 H HIS 95 H HIS 95 -0.834 26.563 0.827 579 HA HIS 95 HA HIS 95 0.919 28.464 2.206 580 HB2 HIS 95 HB2 HIS 95 2.371 28.790 0.228 581 HB3 HIS 95 HB3 HIS 95 2.475 27.136 0.806 582 HD1 HIS 95 HD1 HIS 95 1.152 29.177 -2.070 583 HD2 HIS 95 HD2 HIS 95 1.715 25.179 -1.052 584 HE1 HIS 95 HE1 HIS 95 0.760 27.877 -4.184 585 HE2 HIS 95 HE2 HIS 95 0.964 25.461 -3.514 586 H HIS 96 H HIS 96 -1.881 28.451 1.820 587 HA HIS 96 HA HIS 96 -2.240 31.035 0.523 588 HB2 HIS 96 HB2 HIS 96 -2.607 29.365 -1.318 589 HB3 HIS 96 HB3 HIS 96 -3.867 28.594 -0.364 590 HD1 HIS 96 HD1 HIS 96 -6.107 29.226 -1.184 591 HD2 HIS 96 HD2 HIS 96 -3.403 32.344 -1.658 592 HE1 HIS 96 HE1 HIS 96 -7.419 31.100 -2.216 593 HE2 HIS 96 HE2 HIS 96 -5.813 33.030 -2.300 594 H HIS 97 H HIS 97 -2.376 29.761 3.269 595 HA HIS 97 HA HIS 97 -5.063 29.622 4.189 596 HB2 HIS 97 HB2 HIS 97 -2.990 28.647 5.325 597 HB3 HIS 97 HB3 HIS 97 -2.597 30.272 5.867 598 HD1 HIS 97 HD1 HIS 97 -3.136 30.378 8.292 599 HD2 HIS 97 HD2 HIS 97 -5.990 28.198 6.210 600 HE1 HIS 97 HE1 HIS 97 -4.839 29.693 10.004 601 HE2 HIS 97 HE2 HIS 97 -6.640 28.542 8.684 602 H HIS 98 H HIS 98 -6.278 31.173 5.481 603 HA HIS 98 HA HIS 98 -6.355 33.774 4.401 604 HB2 HIS 98 HB2 HIS 98 -7.685 32.750 6.945 605 HB3 HIS 98 HB3 HIS 98 -8.055 34.292 6.186 606 HD1 HIS 98 HD1 HIS 98 -9.166 34.098 3.716 607 HD2 HIS 98 HD2 HIS 98 -9.155 30.626 5.994 608 HE1 HIS 98 HE1 HIS 98 -10.912 32.616 2.686 609 HE2 HIS 98 HE2 HIS 98 -10.845 30.500 4.042 610 H HIS 99 H HIS 99 -4.288 34.709 4.668 611 HA HIS 99 HA HIS 99 -3.996 36.288 7.115 612 HB2 HIS 99 HB2 HIS 99 -1.733 34.560 5.993 613 HB3 HIS 99 HB3 HIS 99 -1.457 35.923 7.074 614 HD1 HIS 99 HD1 HIS 99 -2.782 35.669 9.484 615 HD2 HIS 99 HD2 HIS 99 -2.080 32.205 7.297 616 HE1 HIS 99 HE1 HIS 99 -2.993 33.781 11.128 617 HE2 HIS 99 HE2 HIS 99 -2.304 31.739 9.833
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