NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
632351 | 6cw4 | 30404 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 3.301 4.868 10.432 2 H2 SER 1 HT2 SER 1 2.528 6.236 9.806 3 H3 SER 1 HT3 SER 1 1.818 5.364 11.066 4 HA SER 1 HA SER 1 2.743 7.309 11.977 5 HB2 SER 1 HB2 SER 1 4.869 5.844 13.084 6 HB3 SER 1 HB1 SER 1 3.229 5.989 13.721 7 HG SER 1 HG SER 1 3.109 3.924 13.352 8 H GLU 2 HN GLU 2 5.803 5.578 11.336 9 HA GLU 2 HA GLU 2 6.727 7.682 9.579 10 HB2 GLU 2 HB2 GLU 2 8.756 8.024 11.215 11 HB3 GLU 2 HB1 GLU 2 7.270 8.941 11.417 12 HG2 GLU 2 HG2 GLU 2 6.902 8.079 13.430 13 HG3 GLU 2 HG1 GLU 2 7.183 6.435 12.864 14 H ALA 3 HN ALA 3 8.342 5.395 11.786 15 HA ALA 3 HA ALA 3 10.460 4.691 10.233 16 HB1 ALA 3 HB1 ALA 3 10.681 2.712 11.569 17 HB2 ALA 3 HB2 ALA 3 8.981 2.785 12.032 18 HB3 ALA 3 HB3 ALA 3 10.099 4.031 12.585 19 H VAL 4 HN VAL 4 7.391 2.866 10.324 20 HA VAL 4 HA VAL 4 8.132 0.969 8.402 21 HB VAL 4 HB VAL 4 5.365 1.941 9.111 22 HG11 VAL 4 HG11 VAL 4 6.213 -0.611 7.738 23 HG12 VAL 4 HG12 VAL 4 5.399 0.752 6.966 24 HG13 VAL 4 HG13 VAL 4 4.568 -0.180 8.212 25 HG21 VAL 4 HG21 VAL 4 6.647 1.087 11.021 26 HG22 VAL 4 HG22 VAL 4 6.941 -0.414 10.143 27 HG23 VAL 4 HG23 VAL 4 5.299 0.026 10.609 28 H ILE 5 HN ILE 5 6.831 4.211 8.032 29 HA ILE 5 HA ILE 5 5.992 4.015 5.350 30 HB ILE 5 HB ILE 5 7.088 6.461 6.752 31 HG12 ILE 5 HG12 ILE 5 4.253 5.441 6.486 32 HG13 ILE 5 HG11 ILE 5 5.200 5.499 7.968 33 HG21 ILE 5 HG21 ILE 5 5.440 6.142 4.247 34 HG22 ILE 5 HG22 ILE 5 7.067 6.812 4.384 35 HG23 ILE 5 HG23 ILE 5 5.693 7.679 5.076 36 HD11 ILE 5 HD11 ILE 5 3.626 7.311 7.944 37 HD12 ILE 5 HD12 ILE 5 4.215 7.848 6.373 38 HD13 ILE 5 HD13 ILE 5 5.260 7.959 7.790 39 H LYS 6 HN LYS 6 9.077 5.098 6.759 40 HA LYS 6 HA LYS 6 10.368 5.553 4.295 41 HB2 LYS 6 HB2 LYS 6 11.258 5.239 7.115 42 HB3 LYS 6 HB1 LYS 6 12.474 5.035 5.867 43 HG2 LYS 6 HG2 LYS 6 10.849 7.475 6.514 44 HG3 LYS 6 HG1 LYS 6 12.602 7.291 6.513 45 HD2 LYS 6 HD2 LYS 6 10.773 7.359 4.111 46 HD3 LYS 6 HD1 LYS 6 11.939 8.583 4.598 47 HE2 LYS 6 HE2 LYS 6 12.899 5.809 4.067 48 HE3 LYS 6 HE1 LYS 6 12.507 6.848 2.702 49 HZ1 LYS 6 HZ1 LYS 6 14.504 7.376 4.833 50 HZ2 LYS 6 HZ2 LYS 6 14.051 8.508 3.661 51 HZ3 LYS 6 HZ3 LYS 6 14.809 7.072 3.196 52 H VAL 7 HN VAL 7 9.952 2.655 6.229 53 HA VAL 7 HA VAL 7 11.879 1.063 4.929 54 HB VAL 7 HB VAL 7 9.277 0.215 6.223 55 HG11 VAL 7 HG11 VAL 7 10.373 -1.999 6.426 56 HG12 VAL 7 HG12 VAL 7 11.687 -1.405 5.410 57 HG13 VAL 7 HG13 VAL 7 10.053 -1.531 4.754 58 HG21 VAL 7 HG21 VAL 7 10.750 1.378 7.765 59 HG22 VAL 7 HG22 VAL 7 12.085 0.321 7.311 60 HG23 VAL 7 HG23 VAL 7 10.687 -0.342 8.153 61 H ILE 8 HN ILE 8 8.419 1.570 4.340 62 HA ILE 8 HA ILE 8 8.211 -0.116 2.084 63 HB ILE 8 HB ILE 8 6.543 2.285 2.872 64 HG12 ILE 8 HG12 ILE 8 6.518 0.460 4.520 65 HG13 ILE 8 HG11 ILE 8 4.955 0.625 3.731 66 HG21 ILE 8 HG21 ILE 8 6.258 1.881 0.514 67 HG22 ILE 8 HG22 ILE 8 4.817 1.338 1.375 68 HG23 ILE 8 HG23 ILE 8 5.999 0.160 0.804 69 HD11 ILE 8 HD11 ILE 8 5.531 -1.278 2.270 70 HD12 ILE 8 HD12 ILE 8 5.507 -1.705 3.980 71 HD13 ILE 8 HD13 ILE 8 7.046 -1.464 3.154 72 H SER 9 HN SER 9 9.035 3.289 2.476 73 HA SER 9 HA SER 9 8.943 4.084 -0.196 74 HB2 SER 9 HB2 SER 9 10.845 5.073 1.940 75 HB3 SER 9 HB1 SER 9 10.394 5.924 0.464 76 HG SER 9 HG SER 9 8.280 5.135 2.046 77 H SER 10 HN SER 10 11.842 3.103 1.665 78 HA SER 10 HA SER 10 13.590 3.099 -0.522 79 HB2 SER 10 HB2 SER 10 13.863 1.307 1.888 80 HB3 SER 10 HB1 SER 10 15.146 2.031 0.916 81 HG SER 10 HG SER 10 15.083 3.519 2.407 82 H ALA 11 HN ALA 11 11.407 0.622 0.673 83 HA ALA 11 HA ALA 11 12.494 -1.563 -0.734 84 HB1 ALA 11 HB1 ALA 11 10.895 -1.747 1.149 85 HB2 ALA 11 HB2 ALA 11 10.442 -2.703 -0.262 86 HB3 ALA 11 HB3 ALA 11 9.619 -1.178 0.071 87 H CYS 12 HN CYS 12 9.675 0.500 -1.547 88 HA CYS 12 HA CYS 12 9.301 -0.727 -4.070 89 HB2 CYS 12 HB2 CYS 12 7.845 1.264 -4.563 90 HB3 CYS 12 HB1 CYS 12 7.425 0.358 -3.118 91 HG CYS 12 HG CYS 12 8.693 2.239 -1.393 92 H LYS 13 HN LYS 13 11.358 1.882 -3.012 93 HA LYS 13 HA LYS 13 11.843 3.007 -5.584 94 HB2 LYS 13 HB2 LYS 13 13.465 3.044 -3.032 95 HB3 LYS 13 HB1 LYS 13 13.938 3.913 -4.485 96 HG2 LYS 13 HG2 LYS 13 11.256 4.341 -3.225 97 HG3 LYS 13 HG1 LYS 13 12.693 5.194 -2.656 98 HD2 LYS 13 HD2 LYS 13 13.030 6.177 -4.827 99 HD3 LYS 13 HD1 LYS 13 11.721 5.211 -5.512 100 HE2 LYS 13 HE2 LYS 13 10.101 6.353 -4.142 101 HE3 LYS 13 HE1 LYS 13 11.372 7.238 -3.309 102 HZ1 LYS 13 HZ1 LYS 13 11.952 8.257 -5.461 103 HZ2 LYS 13 HZ2 LYS 13 10.389 8.643 -4.946 104 HZ3 LYS 13 HZ3 LYS 13 10.617 7.491 -6.164 105 H THR 14 HN THR 14 12.725 0.075 -4.185 106 HA THR 14 HA THR 14 15.077 -0.259 -5.894 107 HB THR 14 HB THR 14 14.039 -2.137 -3.766 108 HG1 THR 14 HG1 THR 14 14.637 -0.398 -2.592 109 HG21 THR 14 HG21 THR 14 16.752 -1.903 -5.072 110 HG22 THR 14 HG22 THR 14 15.554 -3.148 -5.419 111 HG23 THR 14 HG23 THR 14 16.298 -3.063 -3.823 112 H TYR 15 HN TYR 15 11.770 -1.328 -5.528 113 HA TYR 15 HA TYR 15 12.203 -3.414 -7.540 114 HB2 TYR 15 HB2 TYR 15 9.828 -2.866 -5.756 115 HB3 TYR 15 HB1 TYR 15 9.888 -4.145 -6.966 116 HD1 TYR 15 HD1 TYR 15 10.197 -3.540 -3.594 117 HD2 TYR 15 HD2 TYR 15 12.185 -5.594 -6.741 118 HE1 TYR 15 HE1 TYR 15 11.253 -5.031 -1.947 119 HE2 TYR 15 HE2 TYR 15 13.250 -7.085 -5.110 120 HH TYR 15 HH TYR 15 12.706 -7.896 -2.720 121 H CYS 16 HN CYS 16 10.220 -0.525 -6.980 122 HA CYS 16 HA CYS 16 9.179 -0.711 -9.706 123 HB2 CYS 16 HB2 CYS 16 8.519 1.358 -7.606 124 HB3 CYS 16 HB1 CYS 16 7.607 0.985 -9.066 125 HG CYS 16 HG CYS 16 7.071 -1.694 -8.095 126 H GLY 17 HN GLY 17 11.812 0.578 -8.153 127 HA2 GLY 17 HA2 GLY 17 13.460 2.026 -8.836 128 HA3 GLY 17 HA1 GLY 17 12.680 2.057 -10.410 129 H LYS 18 HN LYS 18 12.394 4.095 -10.976 130 HA LYS 18 HA LYS 18 11.968 6.175 -9.024 131 HB2 LYS 18 HB2 LYS 18 12.022 7.705 -10.900 132 HB3 LYS 18 HB1 LYS 18 13.333 6.549 -11.068 133 HG2 LYS 18 HG2 LYS 18 11.324 5.342 -12.475 134 HG3 LYS 18 HG1 LYS 18 11.031 7.050 -12.790 135 HD2 LYS 18 HD2 LYS 18 13.715 5.730 -13.134 136 HD3 LYS 18 HD1 LYS 18 12.536 5.907 -14.436 137 HE2 LYS 18 HE2 LYS 18 12.629 8.296 -14.277 138 HE3 LYS 18 HE1 LYS 18 13.631 8.208 -12.830 139 HZ1 LYS 18 HZ1 LYS 18 15.412 7.276 -14.123 140 HZ2 LYS 18 HZ2 LYS 18 14.906 8.714 -14.848 141 HZ3 LYS 18 HZ3 LYS 18 14.446 7.228 -15.511 142 H THR 19 HN THR 19 10.041 4.123 -10.968 143 HA THR 19 HA THR 19 7.691 5.805 -10.917 144 HB THR 19 HB THR 19 6.897 3.247 -11.652 145 HG1 THR 19 HG1 THR 19 8.996 2.472 -11.767 146 HG21 THR 19 HG21 THR 19 6.292 5.351 -12.763 147 HG22 THR 19 HG22 THR 19 6.871 4.156 -13.924 148 HG23 THR 19 HG23 THR 19 7.926 5.474 -13.415 149 H SER 20 HN SER 20 8.520 5.490 -8.374 150 HA SER 20 HA SER 20 6.806 3.416 -7.183 151 HB2 SER 20 HB2 SER 20 8.264 4.276 -5.099 152 HB3 SER 20 HB1 SER 20 8.856 3.041 -6.211 153 HG SER 20 HG SER 20 10.287 4.401 -6.983 154 HA PRO 21 HA PRO 21 4.037 6.482 -5.584 155 HB2 PRO 21 HB2 PRO 21 3.453 5.482 -3.106 156 HB3 PRO 21 HB1 PRO 21 2.802 4.797 -4.608 157 HG2 PRO 21 HG2 PRO 21 5.084 3.860 -2.944 158 HG3 PRO 21 HG1 PRO 21 3.814 2.919 -3.752 159 HD2 PRO 21 HD2 PRO 21 6.300 3.161 -4.775 160 HD3 PRO 21 HD1 PRO 21 4.856 3.011 -5.797 161 H SER 22 HN SER 22 4.248 8.420 -4.629 162 HA SER 22 HA SER 22 6.645 9.107 -3.276 163 HB2 SER 22 HB2 SER 22 4.379 10.967 -3.019 164 HB3 SER 22 HB1 SER 22 5.984 11.232 -3.704 165 HG SER 22 HG SER 22 5.237 10.807 -5.630 166 H LYS 23 HN LYS 23 6.832 9.961 -1.102 167 HA LYS 23 HA LYS 23 5.698 8.328 0.858 168 HB2 LYS 23 HB2 LYS 23 7.769 9.484 1.279 169 HB3 LYS 23 HB1 LYS 23 6.983 11.048 1.107 170 HG2 LYS 23 HG2 LYS 23 5.605 10.502 3.112 171 HG3 LYS 23 HG1 LYS 23 6.574 9.042 3.315 172 HD2 LYS 23 HD2 LYS 23 7.837 11.756 3.132 173 HD3 LYS 23 HD1 LYS 23 7.233 11.122 4.663 174 HE2 LYS 23 HE2 LYS 23 8.745 9.301 4.608 175 HE3 LYS 23 HE1 LYS 23 9.165 9.608 2.925 176 HZ1 LYS 23 HZ1 LYS 23 9.805 11.361 5.229 177 HZ2 LYS 23 HZ2 LYS 23 10.162 11.704 3.612 178 HZ3 LYS 23 HZ3 LYS 23 10.898 10.391 4.377 179 H LYS 24 HN LYS 24 4.716 11.490 -0.317 180 HA LYS 24 HA LYS 24 2.771 12.052 1.650 181 HB2 LYS 24 HB2 LYS 24 2.893 12.983 -1.225 182 HB3 LYS 24 HB1 LYS 24 1.930 13.713 0.051 183 HG2 LYS 24 HG2 LYS 24 3.963 14.306 1.262 184 HG3 LYS 24 HG1 LYS 24 4.938 13.565 -0.007 185 HD2 LYS 24 HD2 LYS 24 3.033 15.481 -1.064 186 HD3 LYS 24 HD1 LYS 24 4.122 16.208 0.117 187 HE2 LYS 24 HE2 LYS 24 4.990 14.591 -2.280 188 HE3 LYS 24 HE1 LYS 24 4.974 16.350 -2.196 189 HZ1 LYS 24 HZ1 LYS 24 6.732 14.451 -0.789 190 HZ2 LYS 24 HZ2 LYS 24 6.465 15.992 -0.144 191 HZ3 LYS 24 HZ3 LYS 24 7.147 15.826 -1.679 192 H GLU 25 HN GLU 25 2.792 9.897 -1.001 193 HA GLU 25 HA GLU 25 -0.110 9.689 -1.150 194 HB2 GLU 25 HB2 GLU 25 1.567 9.544 -3.130 195 HB3 GLU 25 HB1 GLU 25 1.847 7.901 -2.573 196 HG2 GLU 25 HG2 GLU 25 -0.546 7.420 -2.848 197 HG3 GLU 25 HG1 GLU 25 -0.791 9.061 -3.444 198 H ILE 26 HN ILE 26 2.694 7.924 -0.024 199 HA ILE 26 HA ILE 26 1.513 5.458 0.566 200 HB ILE 26 HB ILE 26 3.829 6.830 1.944 201 HG12 ILE 26 HG12 ILE 26 3.799 4.724 -0.228 202 HG13 ILE 26 HG11 ILE 26 4.103 6.436 -0.493 203 HG21 ILE 26 HG21 ILE 26 3.094 5.143 3.426 204 HG22 ILE 26 HG22 ILE 26 4.472 4.462 2.563 205 HG23 ILE 26 HG23 ILE 26 2.830 3.994 2.117 206 HD11 ILE 26 HD11 ILE 26 6.194 5.313 -0.468 207 HD12 ILE 26 HD12 ILE 26 5.803 4.492 1.042 208 HD13 ILE 26 HD13 ILE 26 6.071 6.235 1.030 209 H GLY 27 HN GLY 27 2.108 8.231 2.735 210 HA2 GLY 27 HA2 GLY 27 0.945 7.165 5.037 211 HA3 GLY 27 HA1 GLY 27 1.080 8.878 4.681 212 H ALA 28 HN ALA 28 -0.571 8.932 2.386 213 HA ALA 28 HA ALA 28 -3.082 9.328 3.553 214 HB1 ALA 28 HB1 ALA 28 -2.384 10.457 1.510 215 HB2 ALA 28 HB2 ALA 28 -3.914 9.612 1.274 216 HB3 ALA 28 HB3 ALA 28 -2.419 8.924 0.639 217 H MET 29 HN MET 29 -1.921 6.677 1.489 218 HA MET 29 HA MET 29 -4.331 5.206 1.506 219 HB2 MET 29 HB2 MET 29 -2.455 4.881 -0.111 220 HB3 MET 29 HB1 MET 29 -1.523 4.130 1.175 221 HG2 MET 29 HG2 MET 29 -3.490 2.498 1.381 222 HG3 MET 29 HG1 MET 29 -3.984 3.115 -0.195 223 HE1 MET 29 HE1 MET 29 -0.216 0.640 0.723 224 HE2 MET 29 HE2 MET 29 -1.540 0.977 1.840 225 HE3 MET 29 HE3 MET 29 -0.415 2.259 1.394 226 H LEU 30 HN LEU 30 -1.492 5.165 3.576 227 HA LEU 30 HA LEU 30 -2.025 2.886 5.089 228 HB2 LEU 30 HB2 LEU 30 -0.372 5.301 5.367 229 HB3 LEU 30 HB1 LEU 30 -0.823 4.553 6.886 230 HG LEU 30 HG LEU 30 0.230 2.482 6.259 231 HD11 LEU 30 HD11 LEU 30 -0.269 2.425 3.894 232 HD12 LEU 30 HD12 LEU 30 1.469 2.254 4.146 233 HD13 LEU 30 HD13 LEU 30 0.805 3.798 3.610 234 HD21 LEU 30 HD21 LEU 30 1.644 4.180 7.253 235 HD22 LEU 30 HD22 LEU 30 2.004 4.838 5.655 236 HD23 LEU 30 HD23 LEU 30 2.551 3.218 6.087 237 H SER 31 HN SER 31 -2.953 6.263 5.722 238 HA SER 31 HA SER 31 -4.330 5.710 8.130 239 HB2 SER 31 HB2 SER 31 -3.752 8.008 6.518 240 HB3 SER 31 HB1 SER 31 -5.464 8.019 6.945 241 HG SER 31 HG SER 31 -3.210 8.223 8.570 242 H LEU 32 HN LEU 32 -5.326 5.718 4.763 243 HA LEU 32 HA LEU 32 -8.117 5.697 5.191 244 HB2 LEU 32 HB2 LEU 32 -6.383 5.649 2.987 245 HB3 LEU 32 HB1 LEU 32 -7.332 4.184 2.856 246 HG LEU 32 HG LEU 32 -8.344 5.986 1.573 247 HD11 LEU 32 HD11 LEU 32 -9.978 5.354 4.025 248 HD12 LEU 32 HD12 LEU 32 -9.794 4.304 2.621 249 HD13 LEU 32 HD13 LEU 32 -10.595 5.867 2.454 250 HD21 LEU 32 HD21 LEU 32 -8.584 7.451 4.197 251 HD22 LEU 32 HD22 LEU 32 -9.227 7.980 2.643 252 HD23 LEU 32 HD23 LEU 32 -7.483 7.866 2.883 253 H LEU 33 HN LEU 33 -5.778 3.079 4.714 254 HA LEU 33 HA LEU 33 -7.608 0.958 4.812 255 HB2 LEU 33 HB2 LEU 33 -4.692 1.013 5.577 256 HB3 LEU 33 HB1 LEU 33 -5.635 -0.444 5.320 257 HG LEU 33 HG LEU 33 -5.121 1.645 3.203 258 HD11 LEU 33 HD11 LEU 33 -3.568 0.031 2.235 259 HD12 LEU 33 HD12 LEU 33 -3.809 -1.036 3.617 260 HD13 LEU 33 HD13 LEU 33 -3.048 0.539 3.841 261 HD21 LEU 33 HD21 LEU 33 -6.361 -1.101 3.090 262 HD22 LEU 33 HD22 LEU 33 -5.923 -0.138 1.680 263 HD23 LEU 33 HD23 LEU 33 -7.164 0.439 2.791 264 H GLN 34 HN GLN 34 -6.141 2.817 7.378 265 HA GLN 34 HA GLN 34 -6.757 0.926 9.445 266 HB2 GLN 34 HB2 GLN 34 -6.040 3.858 9.643 267 HB3 GLN 34 HB1 GLN 34 -6.161 2.752 11.003 268 HG2 GLN 34 HG2 GLN 34 -4.418 1.365 9.639 269 HG3 GLN 34 HG1 GLN 34 -4.094 2.920 8.876 270 HE21 GLN 34 HE21 GLN 34 -2.308 1.392 10.491 271 HE22 GLN 34 HE22 GLN 34 -1.918 2.348 11.880 272 H LYS 35 HN LYS 35 -8.231 3.984 8.350 273 HA LYS 35 HA LYS 35 -10.301 3.871 10.309 274 HB2 LYS 35 HB2 LYS 35 -11.316 5.734 9.102 275 HB3 LYS 35 HB1 LYS 35 -9.604 6.007 9.374 276 HG2 LYS 35 HG2 LYS 35 -9.119 5.403 7.072 277 HG3 LYS 35 HG1 LYS 35 -10.826 5.064 6.788 278 HD2 LYS 35 HD2 LYS 35 -9.867 7.747 7.739 279 HD3 LYS 35 HD1 LYS 35 -9.944 7.333 6.026 280 HE2 LYS 35 HE2 LYS 35 -12.250 7.215 6.022 281 HE3 LYS 35 HE1 LYS 35 -12.342 6.891 7.751 282 HZ1 LYS 35 HZ1 LYS 35 -11.478 9.498 6.634 283 HZ2 LYS 35 HZ2 LYS 35 -11.882 9.149 8.237 284 HZ3 LYS 35 HZ3 LYS 35 -13.080 9.153 7.046 285 H GLU 36 HN GLU 36 -9.911 2.541 7.135 286 HA GLU 36 HA GLU 36 -12.696 2.053 6.685 287 HB2 GLU 36 HB2 GLU 36 -10.154 1.140 5.385 288 HB3 GLU 36 HB1 GLU 36 -11.673 0.346 4.989 289 HG2 GLU 36 HG2 GLU 36 -11.200 3.306 4.755 290 HG3 GLU 36 HG1 GLU 36 -11.025 2.161 3.427 291 H GLY 37 HN GLY 37 -10.340 0.648 8.661 292 HA2 GLY 37 HA2 GLY 37 -10.668 -1.041 10.230 293 HA3 GLY 37 HA1 GLY 37 -12.177 -1.461 9.433 294 H LEU 38 HN LEU 38 -9.839 -1.217 7.112 295 HA LEU 38 HA LEU 38 -9.788 -4.023 6.643 296 HB2 LEU 38 HB2 LEU 38 -8.330 -1.715 5.374 297 HB3 LEU 38 HB1 LEU 38 -8.104 -3.375 4.857 298 HG LEU 38 HG LEU 38 -10.800 -2.027 4.873 299 HD11 LEU 38 HD11 LEU 38 -9.301 -0.787 3.396 300 HD12 LEU 38 HD12 LEU 38 -10.510 -1.685 2.477 301 HD13 LEU 38 HD13 LEU 38 -8.856 -2.288 2.581 302 HD21 LEU 38 HD21 LEU 38 -10.847 -4.459 4.882 303 HD22 LEU 38 HD22 LEU 38 -9.757 -4.499 3.494 304 HD23 LEU 38 HD23 LEU 38 -11.382 -3.834 3.322 305 H LEU 39 HN LEU 39 -7.499 -1.684 7.920 306 HA LEU 39 HA LEU 39 -5.860 -3.927 8.880 307 HB2 LEU 39 HB2 LEU 39 -4.853 -1.282 7.831 308 HB3 LEU 39 HB1 LEU 39 -3.859 -2.523 8.566 309 HG LEU 39 HG LEU 39 -5.350 -2.740 5.950 310 HD11 LEU 39 HD11 LEU 39 -2.398 -2.739 6.551 311 HD12 LEU 39 HD12 LEU 39 -3.302 -1.383 5.878 312 HD13 LEU 39 HD13 LEU 39 -3.144 -2.881 4.960 313 HD21 LEU 39 HD21 LEU 39 -5.439 -4.918 6.559 314 HD22 LEU 39 HD22 LEU 39 -4.104 -4.770 7.697 315 HD23 LEU 39 HD23 LEU 39 -3.777 -4.895 5.969 316 H MET 40 HN MET 40 -4.376 -3.155 10.732 317 HA MET 40 HA MET 40 -5.777 -1.117 12.337 318 HB2 MET 40 HB2 MET 40 -6.323 -3.576 12.901 319 HB3 MET 40 HB1 MET 40 -4.697 -3.635 13.565 320 HG2 MET 40 HG2 MET 40 -5.233 -1.873 15.123 321 HG3 MET 40 HG1 MET 40 -6.841 -1.706 14.420 322 HE1 MET 40 HE1 MET 40 -5.362 -5.222 16.997 323 HE2 MET 40 HE2 MET 40 -4.463 -3.741 16.661 324 HE3 MET 40 HE3 MET 40 -4.699 -4.939 15.389 325 H SER 41 HN SER 41 -2.834 -2.540 11.295 326 HA SER 41 HA SER 41 -1.351 -0.538 12.841 327 HB2 SER 41 HB2 SER 41 0.452 -2.396 13.095 328 HB3 SER 41 HB1 SER 41 -0.941 -2.423 14.174 329 HG SER 41 HG SER 41 -1.741 -3.809 12.156 330 HA PRO 42 HA PRO 42 0.743 0.182 9.015 331 HB2 PRO 42 HB2 PRO 42 3.294 0.581 10.422 332 HB3 PRO 42 HB1 PRO 42 2.292 1.754 9.549 333 HG2 PRO 42 HG2 PRO 42 2.536 1.814 12.211 334 HG3 PRO 42 HG1 PRO 42 1.037 2.272 11.381 335 HD2 PRO 42 HD2 PRO 42 1.697 -0.281 12.792 336 HD3 PRO 42 HD1 PRO 42 0.192 0.662 12.801 337 H SER 43 HN SER 43 1.838 -2.255 11.154 338 HA SER 43 HA SER 43 3.749 -3.353 9.263 339 HB2 SER 43 HB2 SER 43 3.490 -5.174 11.332 340 HB3 SER 43 HB1 SER 43 4.690 -3.883 11.244 341 HG SER 43 HG SER 43 2.726 -4.178 13.006 342 H ASP 44 HN ASP 44 0.509 -3.375 9.480 343 HA ASP 44 HA ASP 44 -0.226 -6.090 9.292 344 HB2 ASP 44 HB2 ASP 44 -1.506 -3.488 8.830 345 HB3 ASP 44 HB1 ASP 44 -2.148 -4.792 7.839 346 H LEU 45 HN LEU 45 1.061 -3.865 6.968 347 HA LEU 45 HA LEU 45 0.228 -5.109 4.594 348 HB2 LEU 45 HB2 LEU 45 1.998 -2.993 5.356 349 HB3 LEU 45 HB1 LEU 45 2.799 -4.006 4.171 350 HG LEU 45 HG LEU 45 1.707 -2.212 3.020 351 HD11 LEU 45 HD11 LEU 45 1.621 -4.528 2.047 352 HD12 LEU 45 HD12 LEU 45 0.410 -3.399 1.442 353 HD13 LEU 45 HD13 LEU 45 -0.042 -4.624 2.625 354 HD21 LEU 45 HD21 LEU 45 0.051 -1.346 4.327 355 HD22 LEU 45 HD22 LEU 45 -0.580 -2.931 4.776 356 HD23 LEU 45 HD23 LEU 45 -0.917 -2.267 3.177 357 H TYR 46 HN TYR 46 2.468 -6.170 6.928 358 HA TYR 46 HA TYR 46 4.147 -7.676 5.143 359 HB2 TYR 46 HB2 TYR 46 3.874 -7.545 8.137 360 HB3 TYR 46 HB1 TYR 46 4.909 -8.739 7.362 361 HD1 TYR 46 HD1 TYR 46 6.957 -8.080 6.256 362 HD2 TYR 46 HD2 TYR 46 4.450 -5.181 8.100 363 HE1 TYR 46 HE1 TYR 46 8.785 -6.435 6.144 364 HE2 TYR 46 HE2 TYR 46 6.268 -3.530 7.991 365 HH TYR 46 HH TYR 46 8.804 -3.581 7.868 366 H SER 47 HN SER 47 1.022 -8.108 5.994 367 HA SER 47 HA SER 47 1.196 -11.035 6.131 368 HB2 SER 47 HB2 SER 47 -1.407 -9.604 6.429 369 HB3 SER 47 HB1 SER 47 -0.816 -11.046 7.257 370 HG SER 47 HG SER 47 -0.552 -8.387 7.923 371 HA PRO 48 HA PRO 48 0.248 -10.696 1.719 372 HB2 PRO 48 HB2 PRO 48 0.572 -13.370 1.215 373 HB3 PRO 48 HB1 PRO 48 1.915 -12.212 1.293 374 HG2 PRO 48 HG2 PRO 48 0.962 -14.134 3.352 375 HG3 PRO 48 HG1 PRO 48 2.618 -13.678 2.905 376 HD2 PRO 48 HD2 PRO 48 1.391 -12.695 5.099 377 HD3 PRO 48 HD1 PRO 48 2.584 -11.766 4.170 378 H GLY 49 HN GLY 49 -1.167 -12.998 3.990 379 HA2 GLY 49 HA2 GLY 49 -3.306 -13.777 2.249 380 HA3 GLY 49 HA1 GLY 49 -3.180 -14.119 3.966 381 H SER 50 HN SER 50 -2.781 -10.879 3.723 382 HA SER 50 HA SER 50 -5.651 -10.425 4.169 383 HB2 SER 50 HB2 SER 50 -3.394 -8.632 5.065 384 HB3 SER 50 HB1 SER 50 -5.063 -8.636 5.631 385 HG SER 50 HG SER 50 -3.883 -9.714 7.151 386 H TRP 51 HN TRP 51 -3.485 -10.138 1.772 387 HA TRP 51 HA TRP 51 -3.915 -7.436 0.926 388 HB2 TRP 51 HB2 TRP 51 -2.825 -9.841 -0.551 389 HB3 TRP 51 HB1 TRP 51 -2.881 -8.217 -1.226 390 HD1 TRP 51 HD1 TRP 51 -1.963 -7.075 1.873 391 HE1 TRP 51 HE1 TRP 51 0.572 -7.112 2.338 392 HE3 TRP 51 HE3 TRP 51 -0.521 -10.376 -1.752 393 HZ2 TRP 51 HZ2 TRP 51 2.873 -8.371 1.302 394 HZ3 TRP 51 HZ3 TRP 51 1.863 -10.941 -1.951 395 HH2 TRP 51 HH2 TRP 51 3.526 -9.957 -0.461 396 H ASP 52 HN ASP 52 -5.272 -10.571 0.023 397 HA ASP 52 HA ASP 52 -6.727 -9.860 -2.204 398 HB2 ASP 52 HB2 ASP 52 -6.492 -12.174 -1.529 399 HB3 ASP 52 HB1 ASP 52 -7.486 -11.888 -0.105 400 HA PRO 53 HA PRO 53 -10.649 -8.831 0.516 401 HB2 PRO 53 HB2 PRO 53 -9.963 -7.879 3.042 402 HB3 PRO 53 HB1 PRO 53 -10.608 -9.495 2.701 403 HG2 PRO 53 HG2 PRO 53 -7.802 -8.638 3.146 404 HG3 PRO 53 HG1 PRO 53 -8.630 -10.124 3.653 405 HD2 PRO 53 HD2 PRO 53 -6.941 -10.116 1.580 406 HD3 PRO 53 HD1 PRO 53 -8.405 -11.123 1.585 407 H ILE 54 HN ILE 54 -7.582 -7.144 1.107 408 HA ILE 54 HA ILE 54 -8.729 -4.553 1.271 409 HB ILE 54 HB ILE 54 -5.899 -5.358 0.580 410 HG12 ILE 54 HG12 ILE 54 -7.099 -4.391 3.187 411 HG13 ILE 54 HG11 ILE 54 -6.690 -6.063 2.820 412 HG21 ILE 54 HG21 ILE 54 -6.351 -3.125 -0.241 413 HG22 ILE 54 HG22 ILE 54 -5.308 -3.040 1.178 414 HG23 ILE 54 HG23 ILE 54 -7.024 -2.656 1.321 415 HD11 ILE 54 HD11 ILE 54 -4.344 -5.452 2.619 416 HD12 ILE 54 HD12 ILE 54 -4.990 -5.000 4.195 417 HD13 ILE 54 HD13 ILE 54 -4.749 -3.770 2.955 418 H THR 55 HN THR 55 -7.032 -6.244 -1.383 419 HA THR 55 HA THR 55 -7.295 -4.251 -3.310 420 HB THR 55 HB THR 55 -7.484 -7.178 -3.994 421 HG1 THR 55 HG1 THR 55 -5.494 -7.478 -3.316 422 HG21 THR 55 HG21 THR 55 -6.217 -6.531 -5.953 423 HG22 THR 55 HG22 THR 55 -6.044 -4.888 -5.336 424 HG23 THR 55 HG23 THR 55 -7.633 -5.489 -5.809 425 H ALA 56 HN ALA 56 -9.492 -6.872 -2.420 426 HA ALA 56 HA ALA 56 -11.416 -6.435 -4.432 427 HB1 ALA 56 HB1 ALA 56 -11.666 -7.679 -1.698 428 HB2 ALA 56 HB2 ALA 56 -11.400 -8.508 -3.232 429 HB3 ALA 56 HB3 ALA 56 -12.939 -7.706 -2.916 430 H ALA 57 HN ALA 57 -11.263 -5.343 -1.053 431 HA ALA 57 HA ALA 57 -13.648 -3.877 -1.025 432 HB1 ALA 57 HB1 ALA 57 -12.437 -4.533 0.995 433 HB2 ALA 57 HB2 ALA 57 -12.757 -2.799 0.970 434 HB3 ALA 57 HB3 ALA 57 -11.145 -3.404 0.587 435 H LEU 58 HN LEU 58 -10.333 -2.861 -1.814 436 HA LEU 58 HA LEU 58 -11.000 -0.123 -2.154 437 HB2 LEU 58 HB2 LEU 58 -8.676 -1.731 -3.201 438 HB3 LEU 58 HB1 LEU 58 -8.817 0.007 -3.365 439 HG LEU 58 HG LEU 58 -8.538 -1.551 -0.799 440 HD11 LEU 58 HD11 LEU 58 -6.469 -1.270 -2.037 441 HD12 LEU 58 HD12 LEU 58 -6.462 -0.289 -0.572 442 HD13 LEU 58 HD13 LEU 58 -6.749 0.469 -2.139 443 HD21 LEU 58 HD21 LEU 58 -8.498 0.668 0.306 444 HD22 LEU 58 HD22 LEU 58 -10.069 0.259 -0.381 445 HD23 LEU 58 HD23 LEU 58 -9.013 1.398 -1.215 446 H SER 59 HN SER 59 -10.779 -2.851 -4.406 447 HA SER 59 HA SER 59 -11.173 -1.368 -6.761 448 HB2 SER 59 HB2 SER 59 -11.922 -4.232 -6.126 449 HB3 SER 59 HB1 SER 59 -11.931 -3.529 -7.743 450 HG SER 59 HG SER 59 -9.730 -4.018 -6.032 451 H GLN 60 HN GLN 60 -13.447 -2.861 -4.509 452 HA GLN 60 HA GLN 60 -15.806 -2.332 -5.932 453 HB2 GLN 60 HB2 GLN 60 -15.318 -3.726 -3.742 454 HB3 GLN 60 HB1 GLN 60 -15.767 -2.226 -2.945 455 HG2 GLN 60 HG2 GLN 60 -17.910 -2.261 -4.189 456 HG3 GLN 60 HG1 GLN 60 -17.457 -3.830 -4.849 457 HE21 GLN 60 HE21 GLN 60 -16.840 -2.703 -1.573 458 HE22 GLN 60 HE22 GLN 60 -17.868 -3.853 -0.793 459 H ARG 61 HN ARG 61 -14.191 -0.500 -3.350 460 HA ARG 61 HA ARG 61 -15.942 1.671 -3.248 461 HB2 ARG 61 HB2 ARG 61 -14.371 1.464 -1.486 462 HB3 ARG 61 HB1 ARG 61 -13.012 1.386 -2.596 463 HG2 ARG 61 HG2 ARG 61 -13.233 3.724 -3.117 464 HG3 ARG 61 HG1 ARG 61 -14.708 3.840 -2.154 465 HD2 ARG 61 HD2 ARG 61 -13.558 3.634 -0.147 466 HD3 ARG 61 HD1 ARG 61 -12.148 2.905 -0.915 467 HE ARG 61 HE ARG 61 -11.497 5.064 -1.702 468 HH11 ARG 61 HH11 ARG 61 -14.191 5.111 0.559 469 HH12 ARG 61 HH12 ARG 61 -13.984 6.781 0.960 470 HH21 ARG 61 HH21 ARG 61 -11.220 7.260 -1.161 471 HH22 ARG 61 HH22 ARG 61 -12.293 8.006 -0.008 472 H ALA 62 HN ALA 62 -13.101 1.105 -5.267 473 HA ALA 62 HA ALA 62 -12.982 3.650 -6.450 474 HB1 ALA 62 HB1 ALA 62 -12.063 1.021 -7.608 475 HB2 ALA 62 HB2 ALA 62 -11.142 2.024 -6.489 476 HB3 ALA 62 HB3 ALA 62 -11.530 2.628 -8.100 477 H MET 63 HN MET 63 -14.550 0.650 -7.591 478 HA MET 63 HA MET 63 -15.494 1.917 -9.981 479 HB2 MET 63 HB2 MET 63 -16.651 -0.154 -10.451 480 HB3 MET 63 HB1 MET 63 -15.012 -0.488 -9.918 481 HG2 MET 63 HG2 MET 63 -15.876 -1.031 -7.681 482 HG3 MET 63 HG1 MET 63 -17.515 -0.754 -8.269 483 HE1 MET 63 HE1 MET 63 -14.615 -2.470 -10.397 484 HE2 MET 63 HE2 MET 63 -14.752 -4.123 -9.800 485 HE3 MET 63 HE3 MET 63 -14.259 -2.830 -8.709 486 H ILE 64 HN ILE 64 -16.771 1.594 -6.766 487 HA ILE 64 HA ILE 64 -19.473 2.200 -7.642 488 HB ILE 64 HB ILE 64 -18.294 1.808 -4.891 489 HG12 ILE 64 HG12 ILE 64 -20.309 0.225 -6.501 490 HG13 ILE 64 HG11 ILE 64 -18.621 -0.214 -6.267 491 HG21 ILE 64 HG21 ILE 64 -20.509 2.055 -3.959 492 HG22 ILE 64 HG22 ILE 64 -21.186 2.348 -5.560 493 HG23 ILE 64 HG23 ILE 64 -20.089 3.524 -4.839 494 HD11 ILE 64 HD11 ILE 64 -20.755 -0.064 -4.153 495 HD12 ILE 64 HD12 ILE 64 -19.052 -0.402 -3.845 496 HD13 ILE 64 HD13 ILE 64 -20.012 -1.521 -4.811 497 H LEU 65 HN LEU 65 -16.974 3.815 -5.666 498 HA LEU 65 HA LEU 65 -18.496 6.245 -5.507 499 HB2 LEU 65 HB2 LEU 65 -15.812 5.346 -4.586 500 HB3 LEU 65 HB1 LEU 65 -16.092 7.069 -4.728 501 HG LEU 65 HG LEU 65 -18.075 6.792 -3.209 502 HD11 LEU 65 HD11 LEU 65 -18.142 4.761 -1.826 503 HD12 LEU 65 HD12 LEU 65 -16.912 4.035 -2.861 504 HD13 LEU 65 HD13 LEU 65 -18.498 4.435 -3.520 505 HD21 LEU 65 HD21 LEU 65 -15.427 5.932 -2.058 506 HD22 LEU 65 HD22 LEU 65 -16.754 6.714 -1.196 507 HD23 LEU 65 HD23 LEU 65 -15.875 7.595 -2.445 508 H GLY 66 HN GLY 66 -16.092 4.957 -7.654 509 HA2 GLY 66 HA2 GLY 66 -15.624 5.746 -9.802 510 HA3 GLY 66 HA1 GLY 66 -16.489 7.229 -9.423 511 H LYS 67 HN LYS 67 -13.741 5.644 -7.847 512 HA LYS 67 HA LYS 67 -11.873 7.599 -8.761 513 HB2 LYS 67 HB2 LYS 67 -11.322 8.379 -6.394 514 HB3 LYS 67 HB1 LYS 67 -12.759 9.058 -7.138 515 HG2 LYS 67 HG2 LYS 67 -14.190 7.676 -5.823 516 HG3 LYS 67 HG1 LYS 67 -12.821 6.734 -5.229 517 HD2 LYS 67 HD2 LYS 67 -13.586 8.325 -3.537 518 HD3 LYS 67 HD1 LYS 67 -11.954 8.714 -4.079 519 HE2 LYS 67 HE2 LYS 67 -13.033 10.347 -5.690 520 HE3 LYS 67 HE1 LYS 67 -14.528 10.097 -4.794 521 HZ1 LYS 67 HZ1 LYS 67 -13.251 12.047 -4.057 522 HZ2 LYS 67 HZ2 LYS 67 -11.987 11.028 -3.581 523 HZ3 LYS 67 HZ3 LYS 67 -13.494 10.920 -2.822 524 H SER 68 HN SER 68 -10.008 6.579 -8.940 525 HA SER 68 HA SER 68 -9.525 4.200 -7.277 526 HB2 SER 68 HB2 SER 68 -8.157 4.923 -9.873 527 HB3 SER 68 HB1 SER 68 -8.120 3.372 -9.036 528 HG SER 68 HG SER 68 -10.646 4.306 -9.674 529 H GLY 69 HN GLY 69 -8.991 7.068 -6.620 530 HA2 GLY 69 HA2 GLY 69 -6.298 7.742 -6.805 531 HA3 GLY 69 HA1 GLY 69 -7.384 8.285 -5.538 532 H GLU 70 HN GLU 70 -7.950 5.882 -4.272 533 HA GLU 70 HA GLU 70 -5.473 5.502 -2.830 534 HB2 GLU 70 HB2 GLU 70 -8.134 4.158 -2.329 535 HB3 GLU 70 HB1 GLU 70 -6.791 4.323 -1.204 536 HG2 GLU 70 HG2 GLU 70 -7.994 6.041 -0.406 537 HG3 GLU 70 HG1 GLU 70 -7.280 6.922 -1.754 538 H LEU 71 HN LEU 71 -7.406 3.777 -5.143 539 HA LEU 71 HA LEU 71 -6.371 1.180 -4.715 540 HB2 LEU 71 HB2 LEU 71 -8.299 2.316 -6.342 541 HB3 LEU 71 HB1 LEU 71 -7.085 1.773 -7.480 542 HG LEU 71 HG LEU 71 -8.671 0.104 -5.536 543 HD11 LEU 71 HD11 LEU 71 -9.261 -1.105 -7.628 544 HD12 LEU 71 HD12 LEU 71 -8.394 0.132 -8.536 545 HD13 LEU 71 HD13 LEU 71 -9.817 0.569 -7.590 546 HD21 LEU 71 HD21 LEU 71 -7.386 -1.836 -6.338 547 HD22 LEU 71 HD22 LEU 71 -6.377 -0.701 -5.444 548 HD23 LEU 71 HD23 LEU 71 -6.301 -0.745 -7.204 549 H LYS 72 HN LYS 72 -5.317 3.870 -6.738 550 HA LYS 72 HA LYS 72 -3.424 2.547 -8.302 551 HB2 LYS 72 HB2 LYS 72 -3.562 5.383 -7.303 552 HB3 LYS 72 HB1 LYS 72 -2.268 4.824 -8.355 553 HG2 LYS 72 HG2 LYS 72 -4.298 3.989 -9.821 554 HG3 LYS 72 HG1 LYS 72 -5.141 5.273 -8.946 555 HD2 LYS 72 HD2 LYS 72 -2.583 5.601 -10.520 556 HD3 LYS 72 HD1 LYS 72 -4.191 6.075 -11.068 557 HE2 LYS 72 HE2 LYS 72 -4.330 7.829 -9.560 558 HE3 LYS 72 HE1 LYS 72 -3.128 7.126 -8.479 559 HZ1 LYS 72 HZ1 LYS 72 -2.571 8.293 -11.153 560 HZ2 LYS 72 HZ2 LYS 72 -1.418 7.638 -10.102 561 HZ3 LYS 72 HZ3 LYS 72 -2.255 9.040 -9.668 562 H THR 73 HN THR 73 -3.006 4.179 -5.181 563 HA THR 73 HA THR 73 -0.272 3.695 -4.888 564 HB THR 73 HB THR 73 -2.164 3.777 -2.554 565 HG1 THR 73 HG1 THR 73 -1.344 5.964 -4.216 566 HG21 THR 73 HG21 THR 73 0.560 4.992 -3.044 567 HG22 THR 73 HG22 THR 73 0.240 3.531 -2.113 568 HG23 THR 73 HG23 THR 73 -0.364 5.085 -1.544 569 H TRP 74 HN TRP 74 -3.086 1.789 -3.896 570 HA TRP 74 HA TRP 74 -1.718 -0.213 -2.489 571 HB2 TRP 74 HB2 TRP 74 -4.136 0.045 -2.324 572 HB3 TRP 74 HB1 TRP 74 -4.320 -0.382 -4.023 573 HD1 TRP 74 HD1 TRP 74 -4.982 -2.823 -4.402 574 HE1 TRP 74 HE1 TRP 74 -4.738 -5.038 -3.100 575 HE3 TRP 74 HE3 TRP 74 -2.306 -1.110 -0.398 576 HZ2 TRP 74 HZ2 TRP 74 -3.567 -5.926 -0.698 577 HZ3 TRP 74 HZ3 TRP 74 -1.665 -2.709 1.358 578 HH2 TRP 74 HH2 TRP 74 -2.281 -5.064 1.215 579 H GLY 75 HN GLY 75 -2.664 -0.004 -5.904 580 HA2 GLY 75 HA2 GLY 75 -1.809 -2.539 -6.717 581 HA3 GLY 75 HA1 GLY 75 -1.891 -1.124 -7.755 582 H LEU 76 HN LEU 76 0.004 0.463 -6.388 583 HA LEU 76 HA LEU 76 2.401 -0.463 -7.568 584 HB2 LEU 76 HB2 LEU 76 1.971 1.695 -5.498 585 HB3 LEU 76 HB1 LEU 76 3.436 1.466 -6.432 586 HG LEU 76 HG LEU 76 0.779 2.037 -7.725 587 HD11 LEU 76 HD11 LEU 76 1.370 3.845 -6.149 588 HD12 LEU 76 HD12 LEU 76 1.400 4.363 -7.835 589 HD13 LEU 76 HD13 LEU 76 2.911 4.034 -6.989 590 HD21 LEU 76 HD21 LEU 76 2.442 1.094 -9.202 591 HD22 LEU 76 HD22 LEU 76 3.633 2.277 -8.663 592 HD23 LEU 76 HD23 LEU 76 2.218 2.801 -9.575 593 H VAL 77 HN VAL 77 1.287 -0.313 -4.199 594 HA VAL 77 HA VAL 77 3.652 -1.352 -3.034 595 HB VAL 77 HB VAL 77 0.837 -1.582 -1.932 596 HG11 VAL 77 HG11 VAL 77 3.533 -1.608 -0.577 597 HG12 VAL 77 HG12 VAL 77 2.447 -2.982 -0.775 598 HG13 VAL 77 HG13 VAL 77 1.973 -1.625 0.249 599 HG21 VAL 77 HG21 VAL 77 1.237 0.728 -2.446 600 HG22 VAL 77 HG22 VAL 77 2.835 0.666 -1.701 601 HG23 VAL 77 HG23 VAL 77 1.391 0.511 -0.702 602 H LEU 78 HN LEU 78 0.590 -2.841 -3.978 603 HA LEU 78 HA LEU 78 1.064 -5.444 -3.144 604 HB2 LEU 78 HB2 LEU 78 -1.103 -4.557 -3.941 605 HB3 LEU 78 HB1 LEU 78 -0.481 -4.546 -5.579 606 HG LEU 78 HG LEU 78 -0.198 -7.038 -5.404 607 HD11 LEU 78 HD11 LEU 78 -1.753 -6.618 -2.859 608 HD12 LEU 78 HD12 LEU 78 -0.128 -7.285 -3.010 609 HD13 LEU 78 HD13 LEU 78 -1.509 -8.177 -3.647 610 HD21 LEU 78 HD21 LEU 78 -2.592 -7.504 -5.710 611 HD22 LEU 78 HD22 LEU 78 -2.081 -6.053 -6.574 612 HD23 LEU 78 HD23 LEU 78 -2.974 -5.910 -5.059 613 H GLY 79 HN GLY 79 1.830 -3.929 -6.267 614 HA2 GLY 79 HA2 GLY 79 2.823 -6.241 -7.528 615 HA3 GLY 79 HA1 GLY 79 3.226 -4.588 -7.963 616 H ALA 80 HN ALA 80 4.533 -3.706 -5.716 617 HA ALA 80 HA ALA 80 7.111 -4.817 -6.103 618 HB1 ALA 80 HB1 ALA 80 6.133 -2.885 -4.004 619 HB2 ALA 80 HB2 ALA 80 6.826 -2.472 -5.569 620 HB3 ALA 80 HB3 ALA 80 7.825 -3.251 -4.343 621 H LEU 81 HN LEU 81 4.799 -5.016 -3.409 622 HA LEU 81 HA LEU 81 6.502 -6.523 -1.715 623 HB2 LEU 81 HB2 LEU 81 3.850 -5.451 -1.623 624 HB3 LEU 81 HB1 LEU 81 3.810 -7.122 -1.090 625 HG LEU 81 HG LEU 81 5.625 -4.998 0.061 626 HD11 LEU 81 HD11 LEU 81 3.042 -6.153 1.093 627 HD12 LEU 81 HD12 LEU 81 3.343 -4.479 0.624 628 HD13 LEU 81 HD13 LEU 81 4.145 -5.158 2.039 629 HD21 LEU 81 HD21 LEU 81 5.052 -7.841 0.893 630 HD22 LEU 81 HD22 LEU 81 5.966 -6.678 1.850 631 HD23 LEU 81 HD23 LEU 81 6.580 -7.205 0.283 632 H LYS 82 HN LYS 82 4.045 -7.432 -4.083 633 HA LYS 82 HA LYS 82 3.960 -10.177 -3.493 634 HB2 LYS 82 HB2 LYS 82 2.627 -8.563 -5.205 635 HB3 LYS 82 HB1 LYS 82 3.699 -9.384 -6.331 636 HG2 LYS 82 HG2 LYS 82 2.875 -11.550 -5.469 637 HG3 LYS 82 HG1 LYS 82 1.729 -10.669 -4.454 638 HD2 LYS 82 HD2 LYS 82 0.777 -9.641 -6.488 639 HD3 LYS 82 HD1 LYS 82 1.876 -10.616 -7.466 640 HE2 LYS 82 HE2 LYS 82 0.845 -12.620 -6.209 641 HE3 LYS 82 HE1 LYS 82 -0.443 -11.492 -5.790 642 HZ1 LYS 82 HZ1 LYS 82 -0.950 -11.166 -8.063 643 HZ2 LYS 82 HZ2 LYS 82 -0.839 -12.836 -7.830 644 HZ3 LYS 82 HZ3 LYS 82 0.428 -12.001 -8.575 645 H ALA 83 HN ALA 83 6.046 -8.263 -5.583 646 HA ALA 83 HA ALA 83 7.453 -10.448 -6.731 647 HB1 ALA 83 HB1 ALA 83 8.311 -7.572 -6.417 648 HB2 ALA 83 HB2 ALA 83 7.390 -8.232 -7.770 649 HB3 ALA 83 HB3 ALA 83 9.046 -8.765 -7.487 650 H ALA 84 HN ALA 84 7.969 -8.381 -3.924 651 HA ALA 84 HA ALA 84 10.540 -9.305 -3.248 652 HB1 ALA 84 HB1 ALA 84 8.391 -8.141 -1.482 653 HB2 ALA 84 HB2 ALA 84 9.640 -7.240 -2.343 654 HB3 ALA 84 HB3 ALA 84 10.086 -8.334 -1.034 655 H ARG 85 HN ARG 85 7.311 -10.314 -2.204 656 HA ARG 85 HA ARG 85 8.272 -12.342 -0.432 657 HB2 ARG 85 HB2 ARG 85 5.596 -11.595 -1.542 658 HB3 ARG 85 HB1 ARG 85 5.791 -13.114 -0.677 659 HG2 ARG 85 HG2 ARG 85 7.009 -11.242 0.958 660 HG3 ARG 85 HG1 ARG 85 5.575 -10.417 0.340 661 HD2 ARG 85 HD2 ARG 85 4.132 -12.030 1.219 662 HD3 ARG 85 HD1 ARG 85 5.429 -13.205 1.422 663 HE ARG 85 HE ARG 85 5.418 -10.747 3.030 664 HH11 ARG 85 HH11 ARG 85 5.429 -14.476 4.534 665 HH12 ARG 85 HH12 ARG 85 5.227 -14.243 2.824 666 HH21 ARG 85 HH21 ARG 85 5.683 -12.670 5.921 667 HH22 ARG 85 HH22 ARG 85 5.676 -11.060 5.270 668 H GLU 86 HN GLU 86 7.991 -12.170 -3.779 669 HA GLU 86 HA GLU 86 7.416 -14.924 -4.307 670 HB2 GLU 86 HB2 GLU 86 7.000 -13.020 -5.885 671 HB3 GLU 86 HB1 GLU 86 8.737 -12.897 -6.111 672 HG2 GLU 86 HG2 GLU 86 8.765 -15.198 -6.974 673 HG3 GLU 86 HG1 GLU 86 7.008 -15.254 -6.812 674 H GLU 87 HN GLU 87 10.224 -13.119 -3.483 675 HA GLU 87 HA GLU 87 12.065 -15.104 -4.518 676 HB2 GLU 87 HB2 GLU 87 12.371 -12.488 -4.321 677 HB3 GLU 87 HB1 GLU 87 12.914 -12.889 -2.699 678 HG2 GLU 87 HG2 GLU 87 14.826 -13.857 -3.426 679 HG3 GLU 87 HG1 GLU 87 14.095 -14.438 -4.922 680 H1 FGV 101 H1 IP3 1 13.038 10.406 -1.504 681 H2 FGV 101 H2 IP3 1 13.669 9.164 0.539 682 H3 FGV 101 H3 IP3 1 12.622 11.386 0.827 683 H4 FGV 101 H4 IP3 1 9.979 9.857 1.000 684 H5 FGV 101 H5 IP3 1 10.986 11.854 -1.080 685 H6 FGV 101 H6 IP3 1 10.404 8.870 -1.346 686 H11 FGV 101 H11 IP3 1 16.041 7.455 -3.693 687 H12 FGV 101 H12 IP3 1 12.014 7.567 -0.123 688 H14 FGV 101 H14 IP3 1 9.833 12.497 0.682 689 H16 FGV 101 H16 IP3 1 10.589 10.944 -3.033 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 2.144 4.228 9.791 2 H2 SER 1 HT2 SER 1 3.798 3.902 9.811 3 H3 SER 1 HT3 SER 1 3.119 4.730 8.504 4 HA SER 1 HA SER 1 2.436 6.495 10.118 5 HB2 SER 1 HB2 SER 1 4.495 6.081 12.003 6 HB3 SER 1 HB1 SER 1 2.755 6.032 12.287 7 HG SER 1 HG SER 1 3.184 4.018 12.784 8 H GLU 2 HN GLU 2 5.814 5.310 10.377 9 HA GLU 2 HA GLU 2 6.629 7.265 8.386 10 HB2 GLU 2 HB2 GLU 2 8.483 7.997 10.071 11 HB3 GLU 2 HB1 GLU 2 6.888 8.728 10.146 12 HG2 GLU 2 HG2 GLU 2 6.305 7.090 11.937 13 HG3 GLU 2 HG1 GLU 2 7.988 6.574 11.930 14 H ALA 3 HN ALA 3 8.125 5.191 10.880 15 HA ALA 3 HA ALA 3 10.432 4.591 9.432 16 HB1 ALA 3 HB1 ALA 3 10.698 2.705 11.014 17 HB2 ALA 3 HB2 ALA 3 9.068 3.020 11.609 18 HB3 ALA 3 HB3 ALA 3 10.328 4.237 11.804 19 H VAL 4 HN VAL 4 7.427 2.715 9.738 20 HA VAL 4 HA VAL 4 8.257 0.562 8.127 21 HB VAL 4 HB VAL 4 5.424 1.542 8.512 22 HG11 VAL 4 HG11 VAL 4 6.492 -1.188 7.801 23 HG12 VAL 4 HG12 VAL 4 5.635 -0.092 6.717 24 HG13 VAL 4 HG13 VAL 4 4.801 -0.795 8.103 25 HG21 VAL 4 HG21 VAL 4 5.265 0.194 10.450 26 HG22 VAL 4 HG22 VAL 4 6.738 1.148 10.631 27 HG23 VAL 4 HG23 VAL 4 6.835 -0.547 10.151 28 H ILE 5 HN ILE 5 7.032 3.728 7.343 29 HA ILE 5 HA ILE 5 6.267 3.218 4.664 30 HB ILE 5 HB ILE 5 7.182 5.796 5.950 31 HG12 ILE 5 HG12 ILE 5 4.446 4.632 5.381 32 HG13 ILE 5 HG11 ILE 5 5.144 5.002 6.954 33 HG21 ILE 5 HG21 ILE 5 5.981 5.274 3.236 34 HG22 ILE 5 HG22 ILE 5 7.530 6.034 3.604 35 HG23 ILE 5 HG23 ILE 5 6.023 6.866 3.991 36 HD11 ILE 5 HD11 ILE 5 3.492 6.654 6.350 37 HD12 ILE 5 HD12 ILE 5 4.346 6.991 4.845 38 HD13 ILE 5 HD13 ILE 5 5.094 7.393 6.392 39 H LYS 6 HN LYS 6 9.256 4.388 6.144 40 HA LYS 6 HA LYS 6 10.719 4.817 3.796 41 HB2 LYS 6 HB2 LYS 6 11.488 4.232 6.637 42 HB3 LYS 6 HB1 LYS 6 12.720 4.364 5.392 43 HG2 LYS 6 HG2 LYS 6 10.704 6.512 6.016 44 HG3 LYS 6 HG1 LYS 6 12.340 6.458 6.674 45 HD2 LYS 6 HD2 LYS 6 11.587 6.661 3.756 46 HD3 LYS 6 HD1 LYS 6 12.240 7.954 4.763 47 HE2 LYS 6 HE2 LYS 6 14.271 6.530 5.119 48 HE3 LYS 6 HE1 LYS 6 13.624 5.411 3.921 49 HZ1 LYS 6 HZ1 LYS 6 14.537 8.193 3.519 50 HZ2 LYS 6 HZ2 LYS 6 13.543 7.420 2.395 51 HZ3 LYS 6 HZ3 LYS 6 15.073 6.790 2.742 52 H VAL 7 HN VAL 7 10.253 1.911 5.727 53 HA VAL 7 HA VAL 7 12.201 0.289 4.538 54 HB VAL 7 HB VAL 7 9.534 -0.591 5.671 55 HG11 VAL 7 HG11 VAL 7 10.660 -2.735 6.059 56 HG12 VAL 7 HG12 VAL 7 12.112 -2.114 5.272 57 HG13 VAL 7 HG13 VAL 7 10.628 -2.325 4.344 58 HG21 VAL 7 HG21 VAL 7 10.836 0.768 7.252 59 HG22 VAL 7 HG22 VAL 7 12.207 -0.320 7.045 60 HG23 VAL 7 HG23 VAL 7 10.714 -0.912 7.771 61 H ILE 8 HN ILE 8 8.783 0.760 3.687 62 HA ILE 8 HA ILE 8 8.938 -1.068 1.472 63 HB ILE 8 HB ILE 8 6.771 0.980 1.830 64 HG12 ILE 8 HG12 ILE 8 7.098 -0.106 4.020 65 HG13 ILE 8 HG11 ILE 8 5.574 -0.582 3.285 66 HG21 ILE 8 HG21 ILE 8 6.832 -0.401 -0.223 67 HG22 ILE 8 HG22 ILE 8 5.381 -0.656 0.745 68 HG23 ILE 8 HG23 ILE 8 6.684 -1.845 0.781 69 HD11 ILE 8 HD11 ILE 8 6.602 -2.691 2.566 70 HD12 ILE 8 HD12 ILE 8 6.627 -2.478 4.316 71 HD13 ILE 8 HD13 ILE 8 8.095 -2.216 3.375 72 H SER 9 HN SER 9 9.250 2.386 1.935 73 HA SER 9 HA SER 9 8.917 3.255 -0.699 74 HB2 SER 9 HB2 SER 9 10.660 4.386 1.498 75 HB3 SER 9 HB1 SER 9 10.305 5.217 -0.013 76 HG SER 9 HG SER 9 8.370 4.344 1.878 77 H SER 10 HN SER 10 11.944 2.381 0.989 78 HA SER 10 HA SER 10 13.623 2.780 -1.227 79 HB2 SER 10 HB2 SER 10 15.005 0.948 0.195 80 HB3 SER 10 HB1 SER 10 14.901 2.650 0.656 81 HG SER 10 HG SER 10 13.435 2.166 2.193 82 H ALA 11 HN ALA 11 11.683 0.048 -0.238 83 HA ALA 11 HA ALA 11 12.880 -1.892 -1.922 84 HB1 ALA 11 HB1 ALA 11 11.505 -2.471 0.027 85 HB2 ALA 11 HB2 ALA 11 10.929 -3.249 -1.448 86 HB3 ALA 11 HB3 ALA 11 10.081 -1.844 -0.804 87 H CYS 12 HN CYS 12 9.931 0.099 -2.317 88 HA CYS 12 HA CYS 12 9.384 -0.941 -4.902 89 HB2 CYS 12 HB2 CYS 12 7.830 1.065 -5.073 90 HB3 CYS 12 HB1 CYS 12 7.523 -0.069 -3.766 91 HG CYS 12 HG CYS 12 8.525 1.519 -1.760 92 H LYS 13 HN LYS 13 11.549 1.496 -3.792 93 HA LYS 13 HA LYS 13 11.711 3.029 -6.178 94 HB2 LYS 13 HB2 LYS 13 13.675 2.594 -3.920 95 HB3 LYS 13 HB1 LYS 13 13.991 3.681 -5.266 96 HG2 LYS 13 HG2 LYS 13 11.548 3.960 -3.551 97 HG3 LYS 13 HG1 LYS 13 13.092 4.681 -3.104 98 HD2 LYS 13 HD2 LYS 13 13.123 5.992 -5.120 99 HD3 LYS 13 HD1 LYS 13 11.667 5.186 -5.713 100 HE2 LYS 13 HE2 LYS 13 10.299 6.246 -4.166 101 HE3 LYS 13 HE1 LYS 13 11.641 6.614 -3.086 102 HZ1 LYS 13 HZ1 LYS 13 11.300 8.643 -4.013 103 HZ2 LYS 13 HZ2 LYS 13 10.746 8.024 -5.485 104 HZ3 LYS 13 HZ3 LYS 13 12.401 8.031 -5.141 105 H THR 14 HN THR 14 13.087 -0.002 -5.163 106 HA THR 14 HA THR 14 15.007 -0.067 -7.329 107 HB THR 14 HB THR 14 14.302 -2.404 -5.577 108 HG1 THR 14 HG1 THR 14 15.877 -0.117 -4.930 109 HG21 THR 14 HG21 THR 14 16.895 -1.479 -6.827 110 HG22 THR 14 HG22 THR 14 15.865 -2.776 -7.431 111 HG23 THR 14 HG23 THR 14 16.672 -2.943 -5.873 112 H TYR 15 HN TYR 15 11.760 -1.159 -6.743 113 HA TYR 15 HA TYR 15 11.898 -3.014 -9.000 114 HB2 TYR 15 HB2 TYR 15 9.672 -2.523 -7.014 115 HB3 TYR 15 HB1 TYR 15 9.635 -3.725 -8.301 116 HD1 TYR 15 HD1 TYR 15 9.632 -3.812 -5.063 117 HD2 TYR 15 HD2 TYR 15 12.407 -4.785 -8.137 118 HE1 TYR 15 HE1 TYR 15 10.717 -5.434 -3.564 119 HE2 TYR 15 HE2 TYR 15 13.498 -6.407 -6.647 120 HH TYR 15 HH TYR 15 12.127 -7.475 -3.753 121 H CYS 16 HN CYS 16 9.932 -0.251 -7.936 122 HA CYS 16 HA CYS 16 8.756 -0.051 -10.590 123 HB2 CYS 16 HB2 CYS 16 8.280 1.799 -8.251 124 HB3 CYS 16 HB1 CYS 16 7.241 1.524 -9.647 125 HG CYS 16 HG CYS 16 6.631 -1.134 -8.887 126 H GLY 17 HN GLY 17 11.126 1.560 -8.592 127 HA2 GLY 17 HA2 GLY 17 12.828 2.968 -9.343 128 HA3 GLY 17 HA1 GLY 17 12.017 3.081 -10.898 129 H LYS 18 HN LYS 18 11.379 5.085 -11.328 130 HA LYS 18 HA LYS 18 10.925 6.938 -9.141 131 HB2 LYS 18 HB2 LYS 18 10.571 8.604 -11.030 132 HB3 LYS 18 HB1 LYS 18 12.176 7.909 -10.879 133 HG2 LYS 18 HG2 LYS 18 10.467 6.385 -12.665 134 HG3 LYS 18 HG1 LYS 18 10.671 8.062 -13.177 135 HD2 LYS 18 HD2 LYS 18 13.090 7.816 -13.080 136 HD3 LYS 18 HD1 LYS 18 12.915 6.161 -12.492 137 HE2 LYS 18 HE2 LYS 18 11.646 5.687 -14.635 138 HE3 LYS 18 HE1 LYS 18 12.200 7.260 -15.198 139 HZ1 LYS 18 HZ1 LYS 18 14.440 6.554 -15.095 140 HZ2 LYS 18 HZ2 LYS 18 13.591 5.322 -15.880 141 HZ3 LYS 18 HZ3 LYS 18 14.039 5.134 -14.261 142 H THR 19 HN THR 19 9.090 4.747 -10.828 143 HA THR 19 HA THR 19 6.636 6.292 -10.880 144 HB THR 19 HB THR 19 6.246 3.444 -11.180 145 HG1 THR 19 HG1 THR 19 7.893 4.391 -13.231 146 HG21 THR 19 HG21 THR 19 4.804 5.261 -12.080 147 HG22 THR 19 HG22 THR 19 5.290 4.087 -13.302 148 HG23 THR 19 HG23 THR 19 6.082 5.661 -13.224 149 H SER 20 HN SER 20 8.319 5.219 -8.432 150 HA SER 20 HA SER 20 6.486 3.612 -6.948 151 HB2 SER 20 HB2 SER 20 8.120 4.256 -5.050 152 HB3 SER 20 HB1 SER 20 8.761 3.308 -6.395 153 HG SER 20 HG SER 20 9.966 4.946 -6.990 154 HA PRO 21 HA PRO 21 4.168 6.902 -5.082 155 HB2 PRO 21 HB2 PRO 21 3.218 5.676 -2.880 156 HB3 PRO 21 HB1 PRO 21 2.703 5.197 -4.507 157 HG2 PRO 21 HG2 PRO 21 4.564 3.845 -2.650 158 HG3 PRO 21 HG1 PRO 21 3.463 3.160 -3.857 159 HD2 PRO 21 HD2 PRO 21 6.222 3.537 -4.165 160 HD3 PRO 21 HD1 PRO 21 5.060 3.166 -5.452 161 H SER 22 HN SER 22 4.594 8.632 -3.846 162 HA SER 22 HA SER 22 6.906 8.604 -2.129 163 HB2 SER 22 HB2 SER 22 5.708 11.092 -1.893 164 HB3 SER 22 HB1 SER 22 6.966 10.656 -3.051 165 HG SER 22 HG SER 22 5.549 10.892 -4.571 166 H LYS 23 HN LYS 23 6.732 9.840 0.001 167 HA LYS 23 HA LYS 23 5.272 8.410 1.856 168 HB2 LYS 23 HB2 LYS 23 6.562 11.109 1.926 169 HB3 LYS 23 HB1 LYS 23 5.608 10.567 3.297 170 HG2 LYS 23 HG2 LYS 23 7.058 8.553 3.430 171 HG3 LYS 23 HG1 LYS 23 8.064 9.261 2.165 172 HD2 LYS 23 HD2 LYS 23 8.343 11.267 3.620 173 HD3 LYS 23 HD1 LYS 23 7.510 10.386 4.899 174 HE2 LYS 23 HE2 LYS 23 9.248 8.890 5.182 175 HE3 LYS 23 HE1 LYS 23 9.882 9.161 3.560 176 HZ1 LYS 23 HZ1 LYS 23 10.028 11.054 5.841 177 HZ2 LYS 23 HZ2 LYS 23 10.568 11.388 4.271 178 HZ3 LYS 23 HZ3 LYS 23 11.313 10.175 5.185 179 H LYS 24 HN LYS 24 4.396 11.396 0.221 180 HA LYS 24 HA LYS 24 2.182 12.162 1.711 181 HB2 LYS 24 HB2 LYS 24 2.619 12.481 -1.263 182 HB3 LYS 24 HB1 LYS 24 1.450 13.378 -0.305 183 HG2 LYS 24 HG2 LYS 24 3.367 14.252 1.049 184 HG3 LYS 24 HG1 LYS 24 4.452 13.506 -0.128 185 HD2 LYS 24 HD2 LYS 24 2.281 15.390 -0.983 186 HD3 LYS 24 HD1 LYS 24 3.840 15.987 -0.419 187 HE2 LYS 24 HE2 LYS 24 3.650 13.917 -2.582 188 HE3 LYS 24 HE1 LYS 24 3.512 15.635 -2.945 189 HZ1 LYS 24 HZ1 LYS 24 5.693 15.951 -1.886 190 HZ2 LYS 24 HZ2 LYS 24 5.771 14.924 -3.227 191 HZ3 LYS 24 HZ3 LYS 24 5.824 14.278 -1.668 192 H GLU 25 HN GLU 25 2.386 9.866 -0.963 193 HA GLU 25 HA GLU 25 -0.453 9.427 -1.043 194 HB2 GLU 25 HB2 GLU 25 1.921 8.227 -2.407 195 HB3 GLU 25 HB1 GLU 25 0.381 7.383 -2.457 196 HG2 GLU 25 HG2 GLU 25 -0.569 9.623 -3.293 197 HG3 GLU 25 HG1 GLU 25 1.115 10.034 -3.621 198 H ILE 26 HN ILE 26 2.357 7.699 0.217 199 HA ILE 26 HA ILE 26 0.998 5.364 1.007 200 HB ILE 26 HB ILE 26 3.495 6.514 2.263 201 HG12 ILE 26 HG12 ILE 26 3.326 4.535 -0.016 202 HG13 ILE 26 HG11 ILE 26 3.540 6.264 -0.263 203 HG21 ILE 26 HG21 ILE 26 2.641 4.740 3.604 204 HG22 ILE 26 HG22 ILE 26 3.988 4.085 2.675 205 HG23 ILE 26 HG23 ILE 26 2.330 3.738 2.186 206 HD11 ILE 26 HD11 ILE 26 5.632 6.170 1.020 207 HD12 ILE 26 HD12 ILE 26 5.661 5.119 -0.396 208 HD13 ILE 26 HD13 ILE 26 5.418 4.429 1.208 209 H GLY 27 HN GLY 27 1.772 8.344 2.787 210 HA2 GLY 27 HA2 GLY 27 0.859 7.558 5.307 211 HA3 GLY 27 HA1 GLY 27 0.890 9.214 4.721 212 H ALA 28 HN ALA 28 -0.934 9.175 2.703 213 HA ALA 28 HA ALA 28 -3.392 9.306 4.092 214 HB1 ALA 28 HB1 ALA 28 -2.814 10.692 2.122 215 HB2 ALA 28 HB2 ALA 28 -4.373 9.882 1.969 216 HB3 ALA 28 HB3 ALA 28 -2.967 9.256 1.108 217 H MET 29 HN MET 29 -1.957 6.896 1.979 218 HA MET 29 HA MET 29 -4.213 5.273 1.578 219 HB2 MET 29 HB2 MET 29 -2.006 5.132 0.357 220 HB3 MET 29 HB1 MET 29 -1.353 4.316 1.770 221 HG2 MET 29 HG2 MET 29 -3.204 2.615 1.473 222 HG3 MET 29 HG1 MET 29 -3.503 3.361 -0.095 223 HE1 MET 29 HE1 MET 29 0.172 0.888 1.125 224 HE2 MET 29 HE2 MET 29 -1.310 1.098 2.058 225 HE3 MET 29 HE3 MET 29 -0.159 2.427 1.918 226 H LEU 30 HN LEU 30 -1.678 5.162 4.053 227 HA LEU 30 HA LEU 30 -2.518 2.866 5.402 228 HB2 LEU 30 HB2 LEU 30 -0.912 5.266 6.133 229 HB3 LEU 30 HB1 LEU 30 -1.438 4.202 7.420 230 HG LEU 30 HG LEU 30 0.200 2.755 6.997 231 HD11 LEU 30 HD11 LEU 30 -0.618 2.933 4.110 232 HD12 LEU 30 HD12 LEU 30 -0.936 1.630 5.255 233 HD13 LEU 30 HD13 LEU 30 0.706 1.915 4.678 234 HD21 LEU 30 HD21 LEU 30 1.501 4.745 6.750 235 HD22 LEU 30 HD22 LEU 30 1.047 4.887 5.052 236 HD23 LEU 30 HD23 LEU 30 2.075 3.556 5.580 237 H SER 31 HN SER 31 -3.278 6.268 6.089 238 HA SER 31 HA SER 31 -4.936 5.799 8.297 239 HB2 SER 31 HB2 SER 31 -5.090 8.091 6.328 240 HB3 SER 31 HB1 SER 31 -5.693 8.083 7.987 241 HG SER 31 HG SER 31 -3.523 7.781 8.680 242 H LEU 32 HN LEU 32 -5.646 5.943 4.841 243 HA LEU 32 HA LEU 32 -8.449 5.874 5.032 244 HB2 LEU 32 HB2 LEU 32 -6.945 6.336 2.996 245 HB3 LEU 32 HB1 LEU 32 -6.858 4.598 2.821 246 HG LEU 32 HG LEU 32 -8.558 5.886 1.386 247 HD11 LEU 32 HD11 LEU 32 -8.546 3.486 1.473 248 HD12 LEU 32 HD12 LEU 32 -10.212 4.058 1.558 249 HD13 LEU 32 HD13 LEU 32 -9.394 3.498 3.019 250 HD21 LEU 32 HD21 LEU 32 -10.188 5.734 3.913 251 HD22 LEU 32 HD22 LEU 32 -10.681 6.389 2.353 252 HD23 LEU 32 HD23 LEU 32 -9.447 7.214 3.307 253 H LEU 33 HN LEU 33 -6.091 3.248 4.573 254 HA LEU 33 HA LEU 33 -7.966 1.147 4.601 255 HB2 LEU 33 HB2 LEU 33 -5.074 1.040 5.454 256 HB3 LEU 33 HB1 LEU 33 -6.065 -0.322 4.967 257 HG LEU 33 HG LEU 33 -5.286 1.966 3.153 258 HD11 LEU 33 HD11 LEU 33 -3.785 0.323 2.097 259 HD12 LEU 33 HD12 LEU 33 -4.143 -0.809 3.400 260 HD13 LEU 33 HD13 LEU 33 -3.321 0.709 3.755 261 HD21 LEU 33 HD21 LEU 33 -6.597 -0.688 2.576 262 HD22 LEU 33 HD22 LEU 33 -6.087 0.496 1.372 263 HD23 LEU 33 HD23 LEU 33 -7.374 0.893 2.509 264 H GLN 34 HN GLN 34 -6.305 2.851 7.156 265 HA GLN 34 HA GLN 34 -6.939 0.995 9.221 266 HB2 GLN 34 HB2 GLN 34 -5.258 3.155 8.961 267 HB3 GLN 34 HB1 GLN 34 -6.492 3.762 10.056 268 HG2 GLN 34 HG2 GLN 34 -6.022 2.141 11.671 269 HG3 GLN 34 HG1 GLN 34 -5.139 1.130 10.527 270 HE21 GLN 34 HE21 GLN 34 -4.316 2.220 13.115 271 HE22 GLN 34 HE22 GLN 34 -2.891 3.151 12.814 272 H LYS 35 HN LYS 35 -8.433 4.014 8.086 273 HA LYS 35 HA LYS 35 -10.371 3.997 10.202 274 HB2 LYS 35 HB2 LYS 35 -11.132 6.020 9.390 275 HB3 LYS 35 HB1 LYS 35 -9.449 6.032 8.892 276 HG2 LYS 35 HG2 LYS 35 -10.022 5.525 6.644 277 HG3 LYS 35 HG1 LYS 35 -11.695 5.180 7.084 278 HD2 LYS 35 HD2 LYS 35 -11.788 7.603 7.910 279 HD3 LYS 35 HD1 LYS 35 -10.287 7.832 7.011 280 HE2 LYS 35 HE2 LYS 35 -11.390 7.141 4.958 281 HE3 LYS 35 HE1 LYS 35 -12.880 6.822 5.848 282 HZ1 LYS 35 HZ1 LYS 35 -11.567 9.468 5.528 283 HZ2 LYS 35 HZ2 LYS 35 -12.969 9.179 6.425 284 HZ3 LYS 35 HZ3 LYS 35 -12.980 8.955 4.752 285 H GLU 36 HN GLU 36 -10.172 2.502 7.119 286 HA GLU 36 HA GLU 36 -13.053 2.173 6.898 287 HB2 GLU 36 HB2 GLU 36 -10.772 1.211 5.168 288 HB3 GLU 36 HB1 GLU 36 -12.460 0.847 4.844 289 HG2 GLU 36 HG2 GLU 36 -11.379 3.641 5.056 290 HG3 GLU 36 HG1 GLU 36 -11.497 2.749 3.542 291 H GLY 37 HN GLY 37 -10.856 0.819 8.806 292 HA2 GLY 37 HA2 GLY 37 -10.910 -1.077 10.110 293 HA3 GLY 37 HA1 GLY 37 -12.453 -1.464 9.366 294 H LEU 38 HN LEU 38 -9.736 -0.954 7.300 295 HA LEU 38 HA LEU 38 -9.859 -3.724 6.459 296 HB2 LEU 38 HB2 LEU 38 -8.384 -1.309 5.424 297 HB3 LEU 38 HB1 LEU 38 -8.118 -2.916 4.774 298 HG LEU 38 HG LEU 38 -10.814 -1.562 4.818 299 HD11 LEU 38 HD11 LEU 38 -9.271 -0.280 3.431 300 HD12 LEU 38 HD12 LEU 38 -10.464 -1.125 2.444 301 HD13 LEU 38 HD13 LEU 38 -8.818 -1.748 2.565 302 HD21 LEU 38 HD21 LEU 38 -10.995 -3.942 4.693 303 HD22 LEU 38 HD22 LEU 38 -9.754 -4.023 3.444 304 HD23 LEU 38 HD23 LEU 38 -11.315 -3.283 3.089 305 H LEU 39 HN LEU 39 -7.700 -1.541 8.116 306 HA LEU 39 HA LEU 39 -6.057 -3.819 8.957 307 HB2 LEU 39 HB2 LEU 39 -5.008 -1.196 7.889 308 HB3 LEU 39 HB1 LEU 39 -4.025 -2.392 8.712 309 HG LEU 39 HG LEU 39 -5.518 -2.966 6.155 310 HD11 LEU 39 HD11 LEU 39 -3.918 -1.167 5.773 311 HD12 LEU 39 HD12 LEU 39 -3.387 -2.664 5.008 312 HD13 LEU 39 HD13 LEU 39 -2.644 -2.135 6.517 313 HD21 LEU 39 HD21 LEU 39 -4.981 -4.965 7.335 314 HD22 LEU 39 HD22 LEU 39 -3.351 -4.392 7.683 315 HD23 LEU 39 HD23 LEU 39 -3.807 -4.797 6.030 316 H MET 40 HN MET 40 -4.830 -3.355 10.936 317 HA MET 40 HA MET 40 -6.186 -1.287 12.546 318 HB2 MET 40 HB2 MET 40 -6.489 -3.689 13.236 319 HB3 MET 40 HB1 MET 40 -4.764 -3.744 13.569 320 HG2 MET 40 HG2 MET 40 -5.199 -1.747 15.115 321 HG3 MET 40 HG1 MET 40 -6.898 -2.189 14.982 322 HE1 MET 40 HE1 MET 40 -3.573 -4.572 17.071 323 HE2 MET 40 HE2 MET 40 -3.460 -2.924 16.452 324 HE3 MET 40 HE3 MET 40 -3.505 -4.284 15.332 325 H SER 41 HN SER 41 -3.107 -2.724 11.693 326 HA SER 41 HA SER 41 -1.763 -0.352 12.801 327 HB2 SER 41 HB2 SER 41 0.112 -2.374 13.047 328 HB3 SER 41 HB1 SER 41 -0.861 -1.717 14.364 329 HG SER 41 HG SER 41 -1.947 -3.744 12.742 330 HA PRO 42 HA PRO 42 0.121 0.011 8.820 331 HB2 PRO 42 HB2 PRO 42 2.643 0.883 9.548 332 HB3 PRO 42 HB1 PRO 42 1.209 1.924 9.472 333 HG2 PRO 42 HG2 PRO 42 2.475 0.634 11.833 334 HG3 PRO 42 HG1 PRO 42 1.773 2.256 11.670 335 HD2 PRO 42 HD2 PRO 42 0.445 0.268 12.886 336 HD3 PRO 42 HD1 PRO 42 -0.393 1.493 11.912 337 H SER 43 HN SER 43 1.713 -1.865 11.309 338 HA SER 43 HA SER 43 3.600 -3.107 9.552 339 HB2 SER 43 HB2 SER 43 3.085 -4.589 11.976 340 HB3 SER 43 HB1 SER 43 4.533 -3.702 11.494 341 HG SER 43 HG SER 43 3.828 -2.625 13.245 342 H ASP 44 HN ASP 44 0.318 -3.462 9.827 343 HA ASP 44 HA ASP 44 0.095 -6.314 9.670 344 HB2 ASP 44 HB2 ASP 44 -1.834 -4.064 9.134 345 HB3 ASP 44 HB1 ASP 44 -2.264 -5.747 8.853 346 H LEU 45 HN LEU 45 1.129 -4.008 7.495 347 HA LEU 45 HA LEU 45 0.034 -4.983 5.069 348 HB2 LEU 45 HB2 LEU 45 2.236 -3.146 5.835 349 HB3 LEU 45 HB1 LEU 45 2.286 -3.819 4.218 350 HG LEU 45 HG LEU 45 1.233 -1.682 4.094 351 HD11 LEU 45 HD11 LEU 45 0.273 -3.584 2.775 352 HD12 LEU 45 HD12 LEU 45 -0.802 -2.211 3.031 353 HD13 LEU 45 HD13 LEU 45 -1.009 -3.677 3.985 354 HD21 LEU 45 HD21 LEU 45 0.582 -1.392 6.399 355 HD22 LEU 45 HD22 LEU 45 -0.631 -2.662 6.244 356 HD23 LEU 45 HD23 LEU 45 -0.815 -1.153 5.350 357 H TYR 46 HN TYR 46 2.310 -6.343 7.142 358 HA TYR 46 HA TYR 46 3.846 -7.660 5.056 359 HB2 TYR 46 HB2 TYR 46 3.975 -7.775 8.069 360 HB3 TYR 46 HB1 TYR 46 4.982 -8.777 7.029 361 HD1 TYR 46 HD1 TYR 46 6.633 -7.677 5.493 362 HD2 TYR 46 HD2 TYR 46 4.507 -5.495 8.465 363 HE1 TYR 46 HE1 TYR 46 8.265 -5.850 5.309 364 HE2 TYR 46 HE2 TYR 46 6.140 -3.657 8.285 365 HH TYR 46 HH TYR 46 8.478 -3.526 5.759 366 H SER 47 HN SER 47 0.857 -8.142 6.155 367 HA SER 47 HA SER 47 1.034 -11.066 6.246 368 HB2 SER 47 HB2 SER 47 -1.384 -9.333 6.797 369 HB3 SER 47 HB1 SER 47 -1.187 -11.044 7.176 370 HG SER 47 HG SER 47 -0.769 -9.201 8.832 371 HA PRO 48 HA PRO 48 -0.052 -10.649 1.840 372 HB2 PRO 48 HB2 PRO 48 0.101 -13.385 1.401 373 HB3 PRO 48 HB1 PRO 48 1.457 -12.255 1.254 374 HG2 PRO 48 HG2 PRO 48 0.766 -14.088 3.473 375 HG3 PRO 48 HG1 PRO 48 2.355 -13.598 2.854 376 HD2 PRO 48 HD2 PRO 48 1.323 -12.606 5.137 377 HD3 PRO 48 HD1 PRO 48 2.388 -11.660 4.080 378 H GLY 49 HN GLY 49 -1.491 -12.771 4.247 379 HA2 GLY 49 HA2 GLY 49 -3.721 -13.590 2.675 380 HA3 GLY 49 HA1 GLY 49 -3.592 -13.693 4.424 381 H SER 50 HN SER 50 -2.982 -10.684 4.328 382 HA SER 50 HA SER 50 -5.767 -9.884 4.551 383 HB2 SER 50 HB2 SER 50 -3.310 -8.242 5.191 384 HB3 SER 50 HB1 SER 50 -4.960 -7.979 5.762 385 HG SER 50 HG SER 50 -4.476 -10.378 6.506 386 H TRP 51 HN TRP 51 -3.261 -9.729 2.276 387 HA TRP 51 HA TRP 51 -3.804 -7.211 1.085 388 HB2 TRP 51 HB2 TRP 51 -2.583 -9.700 -0.129 389 HB3 TRP 51 HB1 TRP 51 -2.579 -8.109 -0.876 390 HD1 TRP 51 HD1 TRP 51 -1.913 -6.979 2.352 391 HE1 TRP 51 HE1 TRP 51 0.596 -6.954 2.949 392 HE3 TRP 51 HE3 TRP 51 -0.170 -10.098 -1.302 393 HZ2 TRP 51 HZ2 TRP 51 2.982 -8.098 1.998 394 HZ3 TRP 51 HZ3 TRP 51 2.237 -10.579 -1.389 395 HH2 TRP 51 HH2 TRP 51 3.781 -9.592 0.225 396 H ASP 52 HN ASP 52 -5.129 -10.422 0.665 397 HA ASP 52 HA ASP 52 -6.433 -10.055 -1.775 398 HB2 ASP 52 HB2 ASP 52 -6.146 -12.262 -0.835 399 HB3 ASP 52 HB1 ASP 52 -7.183 -11.859 0.528 400 HA PRO 53 HA PRO 53 -10.531 -8.883 0.582 401 HB2 PRO 53 HB2 PRO 53 -10.118 -7.810 3.106 402 HB3 PRO 53 HB1 PRO 53 -10.652 -9.471 2.788 403 HG2 PRO 53 HG2 PRO 53 -7.938 -8.456 3.435 404 HG3 PRO 53 HG1 PRO 53 -8.744 -9.951 3.947 405 HD2 PRO 53 HD2 PRO 53 -6.876 -9.952 2.026 406 HD3 PRO 53 HD1 PRO 53 -8.273 -11.046 1.979 407 H ILE 54 HN ILE 54 -7.590 -7.080 1.453 408 HA ILE 54 HA ILE 54 -8.757 -4.514 1.394 409 HB ILE 54 HB ILE 54 -5.886 -5.311 0.883 410 HG12 ILE 54 HG12 ILE 54 -7.213 -4.206 3.366 411 HG13 ILE 54 HG11 ILE 54 -6.825 -5.905 3.113 412 HG21 ILE 54 HG21 ILE 54 -6.299 -3.128 -0.056 413 HG22 ILE 54 HG22 ILE 54 -5.363 -2.961 1.429 414 HG23 ILE 54 HG23 ILE 54 -7.090 -2.603 1.431 415 HD11 ILE 54 HD11 ILE 54 -4.447 -5.310 2.953 416 HD12 ILE 54 HD12 ILE 54 -5.158 -4.866 4.503 417 HD13 ILE 54 HD13 ILE 54 -4.865 -3.629 3.279 418 H THR 55 HN THR 55 -6.946 -6.311 -1.092 419 HA THR 55 HA THR 55 -7.085 -4.400 -3.121 420 HB THR 55 HB THR 55 -7.134 -7.407 -3.483 421 HG1 THR 55 HG1 THR 55 -5.330 -7.018 -2.301 422 HG21 THR 55 HG21 THR 55 -5.983 -6.906 -5.608 423 HG22 THR 55 HG22 THR 55 -6.190 -5.182 -5.299 424 HG23 THR 55 HG23 THR 55 -7.601 -6.213 -5.548 425 H ALA 56 HN ALA 56 -9.334 -6.994 -2.260 426 HA ALA 56 HA ALA 56 -11.139 -6.625 -4.388 427 HB1 ALA 56 HB1 ALA 56 -11.077 -8.629 -2.974 428 HB2 ALA 56 HB2 ALA 56 -12.694 -7.928 -3.052 429 HB3 ALA 56 HB3 ALA 56 -11.694 -7.683 -1.619 430 H ALA 57 HN ALA 57 -11.075 -5.289 -1.098 431 HA ALA 57 HA ALA 57 -13.514 -3.869 -1.300 432 HB1 ALA 57 HB1 ALA 57 -11.137 -3.425 0.500 433 HB2 ALA 57 HB2 ALA 57 -12.571 -4.391 0.853 434 HB3 ALA 57 HB3 ALA 57 -12.705 -2.640 0.688 435 H LEU 58 HN LEU 58 -10.137 -2.879 -1.818 436 HA LEU 58 HA LEU 58 -10.723 -0.157 -2.303 437 HB2 LEU 58 HB2 LEU 58 -8.381 -1.844 -3.173 438 HB3 LEU 58 HB1 LEU 58 -8.468 -0.105 -3.382 439 HG LEU 58 HG LEU 58 -8.291 -1.649 -0.804 440 HD11 LEU 58 HD11 LEU 58 -6.214 -1.163 -2.068 441 HD12 LEU 58 HD12 LEU 58 -6.269 -0.416 -0.474 442 HD13 LEU 58 HD13 LEU 58 -6.567 0.558 -1.914 443 HD21 LEU 58 HD21 LEU 58 -8.397 0.584 0.312 444 HD22 LEU 58 HD22 LEU 58 -9.923 0.040 -0.382 445 HD23 LEU 58 HD23 LEU 58 -8.960 1.260 -1.218 446 H SER 59 HN SER 59 -10.492 -2.964 -4.427 447 HA SER 59 HA SER 59 -10.702 -1.548 -6.860 448 HB2 SER 59 HB2 SER 59 -9.995 -3.986 -6.499 449 HB3 SER 59 HB1 SER 59 -11.716 -4.356 -6.406 450 HG SER 59 HG SER 59 -11.749 -4.312 -8.493 451 H GLN 60 HN GLN 60 -13.097 -2.987 -4.702 452 HA GLN 60 HA GLN 60 -15.363 -2.574 -6.304 453 HB2 GLN 60 HB2 GLN 60 -15.176 -3.996 -4.207 454 HB3 GLN 60 HB1 GLN 60 -15.329 -2.505 -3.289 455 HG2 GLN 60 HG2 GLN 60 -17.503 -2.092 -4.307 456 HG3 GLN 60 HG1 GLN 60 -17.354 -3.581 -5.238 457 HE21 GLN 60 HE21 GLN 60 -16.388 -3.108 -1.884 458 HE22 GLN 60 HE22 GLN 60 -17.551 -4.194 -1.211 459 H ARG 61 HN ARG 61 -14.085 -0.584 -3.623 460 HA ARG 61 HA ARG 61 -15.996 1.472 -3.914 461 HB2 ARG 61 HB2 ARG 61 -14.574 2.798 -2.466 462 HB3 ARG 61 HB1 ARG 61 -14.675 1.151 -1.869 463 HG2 ARG 61 HG2 ARG 61 -12.475 0.715 -2.998 464 HG3 ARG 61 HG1 ARG 61 -12.374 2.450 -3.295 465 HD2 ARG 61 HD2 ARG 61 -12.865 1.391 -0.545 466 HD3 ARG 61 HD1 ARG 61 -11.234 1.467 -1.201 467 HE ARG 61 HE ARG 61 -11.703 3.924 -1.530 468 HH11 ARG 61 HH11 ARG 61 -13.287 2.048 0.976 469 HH12 ARG 61 HH12 ARG 61 -13.535 3.419 2.017 470 HH21 ARG 61 HH21 ARG 61 -12.022 5.703 -0.180 471 HH22 ARG 61 HH22 ARG 61 -12.817 5.506 1.351 472 H ALA 62 HN ALA 62 -12.943 0.887 -5.513 473 HA ALA 62 HA ALA 62 -12.511 3.468 -6.541 474 HB1 ALA 62 HB1 ALA 62 -11.699 0.815 -7.719 475 HB2 ALA 62 HB2 ALA 62 -10.782 1.761 -6.545 476 HB3 ALA 62 HB3 ALA 62 -11.046 2.391 -8.171 477 H MET 63 HN MET 63 -14.163 0.662 -7.972 478 HA MET 63 HA MET 63 -14.873 2.132 -10.336 479 HB2 MET 63 HB2 MET 63 -16.070 0.131 -11.010 480 HB3 MET 63 HB1 MET 63 -14.474 -0.291 -10.406 481 HG2 MET 63 HG2 MET 63 -15.520 -0.888 -8.237 482 HG3 MET 63 HG1 MET 63 -17.098 -0.598 -8.965 483 HE1 MET 63 HE1 MET 63 -13.965 -2.278 -10.819 484 HE2 MET 63 HE2 MET 63 -14.178 -3.928 -10.241 485 HE3 MET 63 HE3 MET 63 -13.815 -2.636 -9.099 486 H ILE 64 HN ILE 64 -16.426 1.485 -7.269 487 HA ILE 64 HA ILE 64 -19.036 2.249 -8.237 488 HB ILE 64 HB ILE 64 -18.033 1.752 -5.432 489 HG12 ILE 64 HG12 ILE 64 -19.772 0.137 -7.313 490 HG13 ILE 64 HG11 ILE 64 -18.125 -0.246 -6.822 491 HG21 ILE 64 HG21 ILE 64 -20.368 1.812 -4.727 492 HG22 ILE 64 HG22 ILE 64 -20.856 2.263 -6.361 493 HG23 ILE 64 HG23 ILE 64 -19.869 3.365 -5.402 494 HD11 ILE 64 HD11 ILE 64 -20.579 -0.238 -5.078 495 HD12 ILE 64 HD12 ILE 64 -18.936 -0.488 -4.493 496 HD13 ILE 64 HD13 ILE 64 -19.654 -1.640 -5.618 497 H LEU 65 HN LEU 65 -16.724 3.714 -5.929 498 HA LEU 65 HA LEU 65 -18.216 6.120 -5.696 499 HB2 LEU 65 HB2 LEU 65 -15.541 5.186 -4.799 500 HB3 LEU 65 HB1 LEU 65 -15.827 6.914 -4.835 501 HG LEU 65 HG LEU 65 -17.816 6.558 -3.367 502 HD11 LEU 65 HD11 LEU 65 -16.738 3.750 -3.230 503 HD12 LEU 65 HD12 LEU 65 -18.313 4.255 -3.846 504 HD13 LEU 65 HD13 LEU 65 -17.940 4.422 -2.130 505 HD21 LEU 65 HD21 LEU 65 -15.180 5.586 -2.276 506 HD22 LEU 65 HD22 LEU 65 -16.518 6.243 -1.332 507 HD23 LEU 65 HD23 LEU 65 -15.655 7.272 -2.477 508 H GLY 66 HN GLY 66 -15.510 5.123 -7.715 509 HA2 GLY 66 HA2 GLY 66 -15.207 6.066 -9.895 510 HA3 GLY 66 HA1 GLY 66 -15.958 7.546 -9.321 511 H LYS 67 HN LYS 67 -13.662 6.096 -7.230 512 HA LYS 67 HA LYS 67 -11.608 7.975 -8.161 513 HB2 LYS 67 HB2 LYS 67 -10.991 8.446 -5.838 514 HB3 LYS 67 HB1 LYS 67 -12.656 8.904 -6.158 515 HG2 LYS 67 HG2 LYS 67 -13.278 6.629 -5.159 516 HG3 LYS 67 HG1 LYS 67 -11.620 6.596 -4.553 517 HD2 LYS 67 HD2 LYS 67 -13.705 8.699 -3.979 518 HD3 LYS 67 HD1 LYS 67 -13.105 7.478 -2.858 519 HE2 LYS 67 HE2 LYS 67 -11.308 9.514 -4.148 520 HE3 LYS 67 HE1 LYS 67 -12.152 9.826 -2.633 521 HZ1 LYS 67 HZ1 LYS 67 -10.993 8.054 -1.587 522 HZ2 LYS 67 HZ2 LYS 67 -9.834 8.986 -2.389 523 HZ3 LYS 67 HZ3 LYS 67 -10.336 7.508 -3.050 524 H SER 68 HN SER 68 -9.624 7.147 -8.403 525 HA SER 68 HA SER 68 -9.216 4.377 -7.484 526 HB2 SER 68 HB2 SER 68 -7.387 4.685 -9.478 527 HB3 SER 68 HB1 SER 68 -9.013 4.044 -9.715 528 HG SER 68 HG SER 68 -9.325 5.682 -10.984 529 H GLY 69 HN GLY 69 -8.533 7.166 -6.311 530 HA2 GLY 69 HA2 GLY 69 -5.762 7.535 -6.287 531 HA3 GLY 69 HA1 GLY 69 -6.855 8.048 -5.011 532 H GLU 70 HN GLU 70 -7.802 5.696 -4.052 533 HA GLU 70 HA GLU 70 -5.715 4.826 -2.369 534 HB2 GLU 70 HB2 GLU 70 -8.335 3.426 -2.913 535 HB3 GLU 70 HB1 GLU 70 -7.322 3.232 -1.492 536 HG2 GLU 70 HG2 GLU 70 -8.792 4.680 -0.600 537 HG3 GLU 70 HG1 GLU 70 -7.749 5.873 -1.370 538 H LEU 71 HN LEU 71 -7.267 3.325 -5.168 539 HA LEU 71 HA LEU 71 -5.946 0.849 -5.013 540 HB2 LEU 71 HB2 LEU 71 -7.823 2.108 -6.717 541 HB3 LEU 71 HB1 LEU 71 -6.532 1.490 -7.729 542 HG LEU 71 HG LEU 71 -8.317 -0.068 -5.867 543 HD11 LEU 71 HD11 LEU 71 -8.833 -1.304 -7.949 544 HD12 LEU 71 HD12 LEU 71 -7.855 -0.141 -8.843 545 HD13 LEU 71 HD13 LEU 71 -9.312 0.393 -8.005 546 HD21 LEU 71 HD21 LEU 71 -7.023 -2.065 -6.720 547 HD22 LEU 71 HD22 LEU 71 -6.191 -1.055 -5.540 548 HD23 LEU 71 HD23 LEU 71 -5.785 -0.927 -7.251 549 H LYS 72 HN LYS 72 -5.093 3.845 -6.706 550 HA LYS 72 HA LYS 72 -3.001 2.821 -8.254 551 HB2 LYS 72 HB2 LYS 72 -3.660 5.541 -7.211 552 HB3 LYS 72 HB1 LYS 72 -2.097 5.271 -7.970 553 HG2 LYS 72 HG2 LYS 72 -3.439 4.273 -9.918 554 HG3 LYS 72 HG1 LYS 72 -4.830 5.066 -9.174 555 HD2 LYS 72 HD2 LYS 72 -2.276 6.443 -10.009 556 HD3 LYS 72 HD1 LYS 72 -3.790 6.458 -10.916 557 HE2 LYS 72 HE2 LYS 72 -4.893 7.489 -8.947 558 HE3 LYS 72 HE1 LYS 72 -3.321 7.585 -8.161 559 HZ1 LYS 72 HZ1 LYS 72 -2.543 9.027 -9.887 560 HZ2 LYS 72 HZ2 LYS 72 -3.982 9.661 -9.265 561 HZ3 LYS 72 HZ3 LYS 72 -3.986 8.858 -10.753 562 H THR 73 HN THR 73 -2.885 4.300 -5.019 563 HA THR 73 HA THR 73 -0.096 3.956 -4.697 564 HB THR 73 HB THR 73 -2.020 4.021 -2.386 565 HG1 THR 73 HG1 THR 73 -1.219 6.235 -4.029 566 HG21 THR 73 HG21 THR 73 0.715 5.229 -2.857 567 HG22 THR 73 HG22 THR 73 0.356 3.808 -1.874 568 HG23 THR 73 HG23 THR 73 -0.237 5.394 -1.381 569 H TRP 74 HN TRP 74 -2.903 2.024 -3.721 570 HA TRP 74 HA TRP 74 -1.559 0.066 -2.242 571 HB2 TRP 74 HB2 TRP 74 -3.952 0.221 -2.127 572 HB3 TRP 74 HB1 TRP 74 -4.110 -0.085 -3.853 573 HD1 TRP 74 HD1 TRP 74 -4.617 -2.514 -4.497 574 HE1 TRP 74 HE1 TRP 74 -4.494 -4.806 -3.318 575 HE3 TRP 74 HE3 TRP 74 -2.403 -1.052 -0.128 576 HZ2 TRP 74 HZ2 TRP 74 -3.576 -5.841 -0.866 577 HZ3 TRP 74 HZ3 TRP 74 -1.940 -2.756 1.581 578 HH2 TRP 74 HH2 TRP 74 -2.514 -5.103 1.221 579 H GLY 75 HN GLY 75 -2.400 0.123 -5.690 580 HA2 GLY 75 HA2 GLY 75 -1.517 -2.396 -6.415 581 HA3 GLY 75 HA1 GLY 75 -1.506 -1.000 -7.479 582 H LEU 76 HN LEU 76 0.394 0.579 -6.182 583 HA LEU 76 HA LEU 76 2.784 -0.573 -7.179 584 HB2 LEU 76 HB2 LEU 76 2.232 1.886 -5.538 585 HB3 LEU 76 HB1 LEU 76 3.852 1.438 -6.042 586 HG LEU 76 HG LEU 76 1.617 1.843 -8.019 587 HD11 LEU 76 HD11 LEU 76 1.844 3.907 -6.789 588 HD12 LEU 76 HD12 LEU 76 2.562 4.085 -8.391 589 HD13 LEU 76 HD13 LEU 76 3.596 3.860 -6.979 590 HD21 LEU 76 HD21 LEU 76 4.621 1.766 -8.209 591 HD22 LEU 76 HD22 LEU 76 3.553 2.247 -9.528 592 HD23 LEU 76 HD23 LEU 76 3.477 0.607 -8.884 593 H VAL 77 HN VAL 77 1.595 0.027 -3.893 594 HA VAL 77 HA VAL 77 3.873 -0.956 -2.542 595 HB VAL 77 HB VAL 77 0.996 -0.835 -1.623 596 HG11 VAL 77 HG11 VAL 77 3.490 -1.125 0.048 597 HG12 VAL 77 HG12 VAL 77 2.348 -2.422 -0.302 598 HG13 VAL 77 HG13 VAL 77 1.831 -1.023 0.637 599 HG21 VAL 77 HG21 VAL 77 1.684 1.220 -0.477 600 HG22 VAL 77 HG22 VAL 77 1.895 1.343 -2.225 601 HG23 VAL 77 HG23 VAL 77 3.292 1.069 -1.185 602 H LEU 78 HN LEU 78 0.839 -2.469 -3.534 603 HA LEU 78 HA LEU 78 1.263 -5.004 -2.420 604 HB2 LEU 78 HB2 LEU 78 -0.898 -4.182 -3.286 605 HB3 LEU 78 HB1 LEU 78 -0.269 -4.273 -4.919 606 HG LEU 78 HG LEU 78 0.011 -6.743 -4.598 607 HD11 LEU 78 HD11 LEU 78 -1.492 -6.165 -2.055 608 HD12 LEU 78 HD12 LEU 78 0.113 -6.881 -2.210 609 HD13 LEU 78 HD13 LEU 78 -1.306 -7.767 -2.766 610 HD21 LEU 78 HD21 LEU 78 -2.384 -7.243 -4.833 611 HD22 LEU 78 HD22 LEU 78 -1.889 -5.860 -5.808 612 HD23 LEU 78 HD23 LEU 78 -2.764 -5.605 -4.299 613 H GLY 79 HN GLY 79 1.990 -3.762 -5.674 614 HA2 GLY 79 HA2 GLY 79 3.018 -6.131 -6.760 615 HA3 GLY 79 HA1 GLY 79 3.429 -4.508 -7.294 616 H ALA 80 HN ALA 80 4.636 -3.558 -4.950 617 HA ALA 80 HA ALA 80 7.254 -4.589 -5.274 618 HB1 ALA 80 HB1 ALA 80 6.189 -2.774 -3.111 619 HB2 ALA 80 HB2 ALA 80 6.809 -2.252 -4.676 620 HB3 ALA 80 HB3 ALA 80 7.889 -3.025 -3.516 621 H LEU 81 HN LEU 81 4.873 -4.857 -2.655 622 HA LEU 81 HA LEU 81 6.490 -6.407 -0.936 623 HB2 LEU 81 HB2 LEU 81 3.527 -5.972 -1.131 624 HB3 LEU 81 HB1 LEU 81 4.208 -7.072 0.049 625 HG LEU 81 HG LEU 81 4.814 -4.122 -0.140 626 HD11 LEU 81 HD11 LEU 81 3.136 -5.710 1.791 627 HD12 LEU 81 HD12 LEU 81 2.575 -4.479 0.660 628 HD13 LEU 81 HD13 LEU 81 3.606 -4.025 2.017 629 HD21 LEU 81 HD21 LEU 81 6.744 -5.147 0.726 630 HD22 LEU 81 HD22 LEU 81 5.805 -6.297 1.676 631 HD23 LEU 81 HD23 LEU 81 5.840 -4.595 2.135 632 H LYS 82 HN LYS 82 4.067 -7.304 -3.361 633 HA LYS 82 HA LYS 82 4.037 -10.060 -2.892 634 HB2 LYS 82 HB2 LYS 82 3.443 -8.342 -5.260 635 HB3 LYS 82 HB1 LYS 82 3.538 -10.082 -5.481 636 HG2 LYS 82 HG2 LYS 82 1.796 -10.403 -3.805 637 HG3 LYS 82 HG1 LYS 82 1.702 -8.656 -3.564 638 HD2 LYS 82 HD2 LYS 82 0.773 -8.297 -5.675 639 HD3 LYS 82 HD1 LYS 82 1.322 -9.856 -6.287 640 HE2 LYS 82 HE2 LYS 82 -0.792 -9.472 -4.170 641 HE3 LYS 82 HE1 LYS 82 -1.116 -9.780 -5.874 642 HZ1 LYS 82 HZ1 LYS 82 0.237 -11.596 -3.959 643 HZ2 LYS 82 HZ2 LYS 82 0.149 -11.883 -5.621 644 HZ3 LYS 82 HZ3 LYS 82 -1.266 -11.825 -4.699 645 H ALA 83 HN ALA 83 6.107 -8.136 -5.036 646 HA ALA 83 HA ALA 83 7.516 -10.298 -6.167 647 HB1 ALA 83 HB1 ALA 83 8.520 -7.487 -5.742 648 HB2 ALA 83 HB2 ALA 83 7.492 -7.998 -7.081 649 HB3 ALA 83 HB3 ALA 83 9.118 -8.659 -6.915 650 H ALA 84 HN ALA 84 8.099 -8.337 -3.290 651 HA ALA 84 HA ALA 84 10.623 -9.482 -2.658 652 HB1 ALA 84 HB1 ALA 84 8.654 -8.088 -0.851 653 HB2 ALA 84 HB2 ALA 84 9.910 -7.303 -1.810 654 HB3 ALA 84 HB3 ALA 84 10.354 -8.394 -0.497 655 H ARG 85 HN ARG 85 7.335 -10.413 -2.035 656 HA ARG 85 HA ARG 85 7.956 -12.304 0.032 657 HB2 ARG 85 HB2 ARG 85 5.536 -11.424 -1.421 658 HB3 ARG 85 HB1 ARG 85 5.511 -13.077 -0.821 659 HG2 ARG 85 HG2 ARG 85 6.143 -10.690 0.898 660 HG3 ARG 85 HG1 ARG 85 4.526 -11.377 0.722 661 HD2 ARG 85 HD2 ARG 85 5.464 -13.560 1.493 662 HD3 ARG 85 HD1 ARG 85 6.982 -12.728 1.829 663 HE ARG 85 HE ARG 85 5.146 -11.269 3.190 664 HH11 ARG 85 HH11 ARG 85 5.525 -14.940 4.773 665 HH12 ARG 85 HH12 ARG 85 5.973 -14.664 3.119 666 HH21 ARG 85 HH21 ARG 85 4.711 -13.210 6.052 667 HH22 ARG 85 HH22 ARG 85 4.544 -11.620 5.369 668 H GLU 86 HN GLU 86 8.197 -12.295 -3.341 669 HA GLU 86 HA GLU 86 8.054 -15.213 -3.509 670 HB2 GLU 86 HB2 GLU 86 8.302 -13.124 -5.676 671 HB3 GLU 86 HB1 GLU 86 8.210 -14.857 -5.957 672 HG2 GLU 86 HG2 GLU 86 5.985 -14.856 -4.857 673 HG3 GLU 86 HG1 GLU 86 6.079 -13.098 -4.769 674 H GLU 87 HN GLU 87 10.244 -13.139 -2.542 675 HA GLU 87 HA GLU 87 12.508 -14.036 -4.121 676 HB2 GLU 87 HB2 GLU 87 12.243 -12.158 -1.770 677 HB3 GLU 87 HB1 GLU 87 13.795 -12.608 -2.456 678 HG2 GLU 87 HG2 GLU 87 11.608 -11.379 -4.100 679 HG3 GLU 87 HG1 GLU 87 12.788 -10.414 -3.216 680 H1 FGV 101 H1 IP3 1 13.086 10.148 -1.160 681 H2 FGV 101 H2 IP3 1 13.675 8.727 0.764 682 H3 FGV 101 H3 IP3 1 12.765 10.974 1.245 683 H4 FGV 101 H4 IP3 1 10.038 9.603 1.355 684 H5 FGV 101 H5 IP3 1 11.123 11.683 -0.597 685 H6 FGV 101 H6 IP3 1 10.353 8.763 -1.075 686 H11 FGV 101 H11 IP3 1 15.834 7.257 -3.790 687 H12 FGV 101 H12 IP3 1 10.961 7.949 0.544 688 H14 FGV 101 H14 IP3 1 10.022 12.274 1.262 689 H16 FGV 101 H16 IP3 1 10.328 10.806 -2.591 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 1.488 4.728 10.627 2 H2 SER 1 HT2 SER 1 2.624 3.823 11.492 3 H3 SER 1 HT3 SER 1 3.021 4.440 9.969 4 HA SER 1 HA SER 1 2.169 6.523 11.633 5 HB2 SER 1 HB2 SER 1 4.641 5.719 12.868 6 HB3 SER 1 HB1 SER 1 3.080 6.055 13.623 7 HG SER 1 HG SER 1 3.695 3.908 14.014 8 H GLU 2 HN GLU 2 5.453 5.190 11.066 9 HA GLU 2 HA GLU 2 5.869 7.069 8.895 10 HB2 GLU 2 HB2 GLU 2 7.868 8.090 10.015 11 HB3 GLU 2 HB1 GLU 2 6.322 8.544 10.716 12 HG2 GLU 2 HG2 GLU 2 6.651 6.950 12.522 13 HG3 GLU 2 HG1 GLU 2 8.179 6.439 11.811 14 H ALA 3 HN ALA 3 7.364 4.723 11.092 15 HA ALA 3 HA ALA 3 9.705 4.222 9.688 16 HB1 ALA 3 HB1 ALA 3 9.202 3.438 11.974 17 HB2 ALA 3 HB2 ALA 3 9.868 2.181 10.932 18 HB3 ALA 3 HB3 ALA 3 8.141 2.210 11.285 19 H VAL 4 HN VAL 4 6.641 2.412 9.479 20 HA VAL 4 HA VAL 4 7.457 0.561 7.563 21 HB VAL 4 HB VAL 4 4.710 1.669 8.143 22 HG11 VAL 4 HG11 VAL 4 5.453 -0.684 6.406 23 HG12 VAL 4 HG12 VAL 4 4.702 0.819 5.869 24 HG13 VAL 4 HG13 VAL 4 3.816 -0.277 6.928 25 HG21 VAL 4 HG21 VAL 4 5.825 0.418 9.949 26 HG22 VAL 4 HG22 VAL 4 5.994 -0.961 8.862 27 HG23 VAL 4 HG23 VAL 4 4.390 -0.408 9.343 28 H ILE 5 HN ILE 5 6.302 3.848 7.186 29 HA ILE 5 HA ILE 5 5.744 3.796 4.441 30 HB ILE 5 HB ILE 5 6.798 6.179 5.965 31 HG12 ILE 5 HG12 ILE 5 3.948 5.184 5.671 32 HG13 ILE 5 HG11 ILE 5 4.895 5.155 7.155 33 HG21 ILE 5 HG21 ILE 5 5.092 5.923 3.492 34 HG22 ILE 5 HG22 ILE 5 6.753 6.510 3.567 35 HG23 ILE 5 HG23 ILE 5 5.451 7.440 4.312 36 HD11 ILE 5 HD11 ILE 5 3.355 6.989 7.213 37 HD12 ILE 5 HD12 ILE 5 3.948 7.590 5.665 38 HD13 ILE 5 HD13 ILE 5 4.996 7.621 7.082 39 H LYS 6 HN LYS 6 8.759 4.573 6.171 40 HA LYS 6 HA LYS 6 10.235 5.167 3.821 41 HB2 LYS 6 HB2 LYS 6 10.971 4.580 6.662 42 HB3 LYS 6 HB1 LYS 6 12.228 4.574 5.435 43 HG2 LYS 6 HG2 LYS 6 10.392 6.885 6.028 44 HG3 LYS 6 HG1 LYS 6 12.049 6.727 6.600 45 HD2 LYS 6 HD2 LYS 6 11.196 6.858 3.703 46 HD3 LYS 6 HD1 LYS 6 11.875 8.194 4.628 47 HE2 LYS 6 HE2 LYS 6 13.892 6.673 5.022 48 HE3 LYS 6 HE1 LYS 6 13.219 5.649 3.754 49 HZ1 LYS 6 HZ1 LYS 6 14.218 8.424 3.531 50 HZ2 LYS 6 HZ2 LYS 6 13.204 7.755 2.354 51 HZ3 LYS 6 HZ3 LYS 6 14.716 7.057 2.667 52 H VAL 7 HN VAL 7 9.688 2.217 5.669 53 HA VAL 7 HA VAL 7 11.591 0.594 4.373 54 HB VAL 7 HB VAL 7 8.931 -0.250 5.546 55 HG11 VAL 7 HG11 VAL 7 9.973 -2.448 5.807 56 HG12 VAL 7 HG12 VAL 7 11.422 -1.859 4.991 57 HG13 VAL 7 HG13 VAL 7 9.897 -1.967 4.112 58 HG21 VAL 7 HG21 VAL 7 10.273 0.946 7.181 59 HG22 VAL 7 HG22 VAL 7 11.657 -0.090 6.829 60 HG23 VAL 7 HG23 VAL 7 10.211 -0.773 7.572 61 H ILE 8 HN ILE 8 8.147 1.165 3.723 62 HA ILE 8 HA ILE 8 7.972 -0.470 1.433 63 HB ILE 8 HB ILE 8 6.326 1.957 2.188 64 HG12 ILE 8 HG12 ILE 8 6.171 0.196 3.855 65 HG13 ILE 8 HG11 ILE 8 4.668 0.265 2.943 66 HG21 ILE 8 HG21 ILE 8 6.133 1.511 -0.193 67 HG22 ILE 8 HG22 ILE 8 4.636 1.101 0.642 68 HG23 ILE 8 HG23 ILE 8 5.742 -0.178 0.139 69 HD11 ILE 8 HD11 ILE 8 5.501 -1.653 1.580 70 HD12 ILE 8 HD12 ILE 8 5.228 -2.017 3.284 71 HD13 ILE 8 HD13 ILE 8 6.868 -1.766 2.692 72 H SER 9 HN SER 9 8.902 2.886 1.910 73 HA SER 9 HA SER 9 8.930 3.723 -0.758 74 HB2 SER 9 HB2 SER 9 10.655 4.608 1.564 75 HB3 SER 9 HB1 SER 9 10.562 5.446 0.014 76 HG SER 9 HG SER 9 8.337 4.935 1.704 77 H SER 10 HN SER 10 11.642 2.462 1.215 78 HA SER 10 HA SER 10 13.545 2.464 -0.836 79 HB2 SER 10 HB2 SER 10 13.419 0.499 1.463 80 HB3 SER 10 HB1 SER 10 14.856 1.020 0.587 81 HG SER 10 HG SER 10 14.420 3.158 1.410 82 H ALA 11 HN ALA 11 11.171 0.042 0.103 83 HA ALA 11 HA ALA 11 12.106 -2.053 -1.517 84 HB1 ALA 11 HB1 ALA 11 10.512 -2.396 0.293 85 HB2 ALA 11 HB2 ALA 11 9.887 -3.026 -1.229 86 HB3 ALA 11 HB3 ALA 11 9.291 -1.489 -0.599 87 H CYS 12 HN CYS 12 9.391 0.211 -2.130 88 HA CYS 12 HA CYS 12 8.975 -0.681 -4.771 89 HB2 CYS 12 HB2 CYS 12 7.644 1.406 -5.051 90 HB3 CYS 12 HB1 CYS 12 7.200 0.472 -3.629 91 HG CYS 12 HG CYS 12 8.470 2.145 -1.816 92 H LYS 13 HN LYS 13 11.206 1.645 -3.431 93 HA LYS 13 HA LYS 13 11.816 2.983 -5.855 94 HB2 LYS 13 HB2 LYS 13 13.196 2.694 -3.214 95 HB3 LYS 13 HB1 LYS 13 14.076 3.385 -4.569 96 HG2 LYS 13 HG2 LYS 13 11.466 4.422 -3.485 97 HG3 LYS 13 HG1 LYS 13 13.060 5.095 -3.139 98 HD2 LYS 13 HD2 LYS 13 13.372 5.553 -5.530 99 HD3 LYS 13 HD1 LYS 13 11.763 4.909 -5.857 100 HE2 LYS 13 HE2 LYS 13 10.906 6.651 -4.213 101 HE3 LYS 13 HE1 LYS 13 12.504 7.386 -4.333 102 HZ1 LYS 13 HZ1 LYS 13 11.248 8.486 -5.918 103 HZ2 LYS 13 HZ2 LYS 13 10.457 7.084 -6.431 104 HZ3 LYS 13 HZ3 LYS 13 12.082 7.334 -6.831 105 H THR 14 HN THR 14 12.631 -0.107 -4.639 106 HA THR 14 HA THR 14 14.877 -0.410 -6.480 107 HB THR 14 HB THR 14 13.814 -2.494 -4.569 108 HG1 THR 14 HG1 THR 14 14.392 -0.603 -3.390 109 HG21 THR 14 HG21 THR 14 16.533 -2.088 -5.826 110 HG22 THR 14 HG22 THR 14 15.343 -3.296 -6.315 111 HG23 THR 14 HG23 THR 14 16.090 -3.389 -4.721 112 H TYR 15 HN TYR 15 11.594 -1.566 -5.937 113 HA TYR 15 HA TYR 15 11.756 -3.447 -8.134 114 HB2 TYR 15 HB2 TYR 15 9.460 -2.638 -6.349 115 HB3 TYR 15 HB1 TYR 15 9.346 -3.858 -7.610 116 HD1 TYR 15 HD1 TYR 15 9.936 -3.318 -4.195 117 HD2 TYR 15 HD2 TYR 15 11.141 -5.797 -7.431 118 HE1 TYR 15 HE1 TYR 15 10.697 -5.018 -2.598 119 HE2 TYR 15 HE2 TYR 15 11.915 -7.508 -5.841 120 HH TYR 15 HH TYR 15 12.485 -7.846 -3.613 121 H CYS 16 HN CYS 16 9.683 -0.617 -7.421 122 HA CYS 16 HA CYS 16 8.835 -0.464 -10.178 123 HB2 CYS 16 HB2 CYS 16 8.220 1.692 -8.206 124 HB3 CYS 16 HB1 CYS 16 7.194 0.981 -9.447 125 HG CYS 16 HG CYS 16 6.284 -1.077 -8.060 126 H GLY 17 HN GLY 17 11.402 0.759 -8.366 127 HA2 GLY 17 HA2 GLY 17 13.131 2.155 -8.948 128 HA3 GLY 17 HA1 GLY 17 12.439 2.241 -10.560 129 H LYS 18 HN LYS 18 11.923 4.216 -11.159 130 HA LYS 18 HA LYS 18 11.546 6.288 -9.165 131 HB2 LYS 18 HB2 LYS 18 11.704 7.852 -10.976 132 HB3 LYS 18 HB1 LYS 18 12.958 6.643 -11.200 133 HG2 LYS 18 HG2 LYS 18 11.040 5.539 -12.694 134 HG3 LYS 18 HG1 LYS 18 10.565 7.230 -12.829 135 HD2 LYS 18 HD2 LYS 18 13.310 6.138 -13.437 136 HD3 LYS 18 HD1 LYS 18 12.083 6.529 -14.641 137 HE2 LYS 18 HE2 LYS 18 12.119 8.863 -13.933 138 HE3 LYS 18 HE1 LYS 18 13.319 8.479 -12.701 139 HZ1 LYS 18 HZ1 LYS 18 14.877 7.871 -14.410 140 HZ2 LYS 18 HZ2 LYS 18 14.300 9.435 -14.713 141 HZ3 LYS 18 HZ3 LYS 18 13.721 8.134 -15.618 142 H THR 19 HN THR 19 9.630 4.117 -10.830 143 HA THR 19 HA THR 19 7.267 5.810 -10.976 144 HB THR 19 HB THR 19 7.151 2.854 -11.400 145 HG1 THR 19 HG1 THR 19 8.905 3.123 -12.629 146 HG21 THR 19 HG21 THR 19 5.654 3.511 -13.231 147 HG22 THR 19 HG22 THR 19 5.985 5.210 -12.894 148 HG23 THR 19 HG23 THR 19 5.139 4.222 -11.702 149 H SER 20 HN SER 20 8.397 5.475 -8.407 150 HA SER 20 HA SER 20 6.620 3.617 -7.011 151 HB2 SER 20 HB2 SER 20 8.204 4.543 -5.066 152 HB3 SER 20 HB1 SER 20 8.727 3.260 -6.159 153 HG SER 20 HG SER 20 10.134 4.567 -7.044 154 HA PRO 21 HA PRO 21 4.089 6.943 -5.525 155 HB2 PRO 21 HB2 PRO 21 3.264 5.966 -3.133 156 HB3 PRO 21 HB1 PRO 21 2.690 5.309 -4.676 157 HG2 PRO 21 HG2 PRO 21 4.760 4.236 -2.828 158 HG3 PRO 21 HG1 PRO 21 3.513 3.379 -3.757 159 HD2 PRO 21 HD2 PRO 21 6.126 3.533 -4.529 160 HD3 PRO 21 HD1 PRO 21 4.773 3.330 -5.659 161 H SER 22 HN SER 22 4.009 8.666 -3.994 162 HA SER 22 HA SER 22 6.575 9.231 -2.792 163 HB2 SER 22 HB2 SER 22 5.519 11.433 -2.253 164 HB3 SER 22 HB1 SER 22 5.431 11.018 -3.963 165 HG SER 22 HG SER 22 3.295 10.503 -3.736 166 H LYS 23 HN LYS 23 6.668 10.157 -0.568 167 HA LYS 23 HA LYS 23 5.868 8.308 1.363 168 HB2 LYS 23 HB2 LYS 23 7.598 10.399 1.294 169 HB3 LYS 23 HB1 LYS 23 6.304 11.094 2.258 170 HG2 LYS 23 HG2 LYS 23 6.485 9.249 3.839 171 HG3 LYS 23 HG1 LYS 23 7.786 8.547 2.874 172 HD2 LYS 23 HD2 LYS 23 8.957 10.808 3.170 173 HD3 LYS 23 HD1 LYS 23 7.782 11.107 4.451 174 HE2 LYS 23 HE2 LYS 23 8.557 9.212 5.686 175 HE3 LYS 23 HE1 LYS 23 9.583 8.692 4.349 176 HZ1 LYS 23 HZ1 LYS 23 9.930 11.241 5.838 177 HZ2 LYS 23 HZ2 LYS 23 10.957 10.625 4.646 178 HZ3 LYS 23 HZ3 LYS 23 10.814 9.831 6.134 179 H LYS 24 HN LYS 24 4.451 11.364 0.349 180 HA LYS 24 HA LYS 24 2.445 11.532 2.321 181 HB2 LYS 24 HB2 LYS 24 2.501 12.669 -0.477 182 HB3 LYS 24 HB1 LYS 24 1.367 13.139 0.777 183 HG2 LYS 24 HG2 LYS 24 2.942 14.287 1.978 184 HG3 LYS 24 HG1 LYS 24 4.278 13.335 1.342 185 HD2 LYS 24 HD2 LYS 24 2.726 15.484 -0.089 186 HD3 LYS 24 HD1 LYS 24 4.412 15.548 0.420 187 HE2 LYS 24 HE2 LYS 24 4.599 13.409 -1.103 188 HE3 LYS 24 HE1 LYS 24 3.162 14.091 -1.862 189 HZ1 LYS 24 HZ1 LYS 24 4.750 15.122 -3.073 190 HZ2 LYS 24 HZ2 LYS 24 5.906 15.081 -1.841 191 HZ3 LYS 24 HZ3 LYS 24 4.673 16.239 -1.806 192 H GLU 25 HN GLU 25 2.490 10.061 -0.892 193 HA GLU 25 HA GLU 25 -0.265 9.422 -1.008 194 HB2 GLU 25 HB2 GLU 25 2.156 8.303 -2.404 195 HB3 GLU 25 HB1 GLU 25 0.540 7.671 -2.691 196 HG2 GLU 25 HG2 GLU 25 -0.203 9.786 -3.522 197 HG3 GLU 25 HG1 GLU 25 1.318 10.551 -3.065 198 H ILE 26 HN ILE 26 2.577 7.599 0.057 199 HA ILE 26 HA ILE 26 1.191 5.205 0.663 200 HB ILE 26 HB ILE 26 3.775 6.224 1.858 201 HG12 ILE 26 HG12 ILE 26 3.426 4.300 -0.443 202 HG13 ILE 26 HG11 ILE 26 3.689 6.028 -0.664 203 HG21 ILE 26 HG21 ILE 26 2.811 4.426 3.178 204 HG22 ILE 26 HG22 ILE 26 4.239 3.851 2.317 205 HG23 ILE 26 HG23 ILE 26 2.629 3.432 1.731 206 HD11 ILE 26 HD11 ILE 26 5.831 5.844 0.492 207 HD12 ILE 26 HD12 ILE 26 5.752 4.790 -0.919 208 HD13 ILE 26 HD13 ILE 26 5.567 4.113 0.699 209 H GLY 27 HN GLY 27 2.213 7.957 2.661 210 HA2 GLY 27 HA2 GLY 27 1.342 7.018 5.144 211 HA3 GLY 27 HA1 GLY 27 1.498 8.711 4.705 212 H ALA 28 HN ALA 28 -0.432 8.849 2.688 213 HA ALA 28 HA ALA 28 -2.771 9.218 4.232 214 HB1 ALA 28 HB1 ALA 28 -3.851 9.759 2.081 215 HB2 ALA 28 HB2 ALA 28 -2.405 9.205 1.239 216 HB3 ALA 28 HB3 ALA 28 -2.324 10.609 2.305 217 H MET 29 HN MET 29 -1.793 6.761 1.890 218 HA MET 29 HA MET 29 -4.211 5.335 1.797 219 HB2 MET 29 HB2 MET 29 -2.351 5.065 0.177 220 HB3 MET 29 HB1 MET 29 -1.396 4.291 1.429 221 HG2 MET 29 HG2 MET 29 -3.270 2.583 1.583 222 HG3 MET 29 HG1 MET 29 -3.860 3.270 0.071 223 HE1 MET 29 HE1 MET 29 0.086 0.978 0.655 224 HE2 MET 29 HE2 MET 29 -1.143 1.258 1.888 225 HE3 MET 29 HE3 MET 29 -0.124 2.589 1.342 226 H LEU 30 HN LEU 30 -1.397 5.067 3.903 227 HA LEU 30 HA LEU 30 -2.055 2.718 5.257 228 HB2 LEU 30 HB2 LEU 30 -0.255 4.979 5.629 229 HB3 LEU 30 HB1 LEU 30 -0.824 4.318 7.150 230 HG LEU 30 HG LEU 30 0.061 2.136 6.600 231 HD11 LEU 30 HD11 LEU 30 0.845 3.366 3.961 232 HD12 LEU 30 HD12 LEU 30 -0.332 2.078 4.221 233 HD13 LEU 30 HD13 LEU 30 1.377 1.787 4.539 234 HD21 LEU 30 HD21 LEU 30 2.054 4.333 6.064 235 HD22 LEU 30 HD22 LEU 30 2.454 2.672 6.506 236 HD23 LEU 30 HD23 LEU 30 1.588 3.702 7.644 237 H SER 31 HN SER 31 -2.795 6.095 6.116 238 HA SER 31 HA SER 31 -4.236 5.511 8.455 239 HB2 SER 31 HB2 SER 31 -4.721 7.900 6.671 240 HB3 SER 31 HB1 SER 31 -4.922 7.790 8.420 241 HG SER 31 HG SER 31 -2.628 7.477 8.555 242 H LEU 32 HN LEU 32 -5.217 5.726 5.078 243 HA LEU 32 HA LEU 32 -8.009 5.665 5.520 244 HB2 LEU 32 HB2 LEU 32 -6.277 5.799 3.307 245 HB3 LEU 32 HB1 LEU 32 -7.287 4.390 3.050 246 HG LEU 32 HG LEU 32 -8.211 6.396 1.980 247 HD11 LEU 32 HD11 LEU 32 -9.744 4.658 2.686 248 HD12 LEU 32 HD12 LEU 32 -10.482 6.247 2.905 249 HD13 LEU 32 HD13 LEU 32 -9.844 5.370 4.296 250 HD21 LEU 32 HD21 LEU 32 -8.581 7.485 4.764 251 HD22 LEU 32 HD22 LEU 32 -8.987 8.272 3.239 252 HD23 LEU 32 HD23 LEU 32 -7.299 7.996 3.667 253 H LEU 33 HN LEU 33 -5.635 3.112 4.898 254 HA LEU 33 HA LEU 33 -7.464 0.970 4.781 255 HB2 LEU 33 HB2 LEU 33 -4.561 0.970 5.613 256 HB3 LEU 33 HB1 LEU 33 -5.497 -0.464 5.249 257 HG LEU 33 HG LEU 33 -4.885 1.735 3.274 258 HD11 LEU 33 HD11 LEU 33 -3.375 0.094 2.257 259 HD12 LEU 33 HD12 LEU 33 -3.680 -1.009 3.599 260 HD13 LEU 33 HD13 LEU 33 -2.873 0.533 3.890 261 HD21 LEU 33 HD21 LEU 33 -6.225 -0.945 2.972 262 HD22 LEU 33 HD22 LEU 33 -5.698 0.068 1.629 263 HD23 LEU 33 HD23 LEU 33 -6.951 0.643 2.727 264 H GLN 34 HN GLN 34 -5.929 2.627 7.436 265 HA GLN 34 HA GLN 34 -6.618 0.690 9.425 266 HB2 GLN 34 HB2 GLN 34 -5.180 3.199 9.305 267 HB3 GLN 34 HB1 GLN 34 -6.239 3.144 10.709 268 HG2 GLN 34 HG2 GLN 34 -5.218 0.953 11.304 269 HG3 GLN 34 HG1 GLN 34 -4.075 1.186 9.983 270 HE21 GLN 34 HE21 GLN 34 -3.650 0.961 12.873 271 HE22 GLN 34 HE22 GLN 34 -2.803 2.398 13.341 272 H LYS 35 HN LYS 35 -7.986 3.838 8.452 273 HA LYS 35 HA LYS 35 -10.015 3.833 10.435 274 HB2 LYS 35 HB2 LYS 35 -10.920 5.741 9.363 275 HB3 LYS 35 HB1 LYS 35 -9.175 5.853 9.184 276 HG2 LYS 35 HG2 LYS 35 -9.285 5.234 6.903 277 HG3 LYS 35 HG1 LYS 35 -10.975 4.753 7.042 278 HD2 LYS 35 HD2 LYS 35 -10.065 7.573 7.564 279 HD3 LYS 35 HD1 LYS 35 -10.480 7.009 5.943 280 HE2 LYS 35 HE2 LYS 35 -12.712 6.409 6.709 281 HE3 LYS 35 HE1 LYS 35 -12.303 6.917 8.345 282 HZ1 LYS 35 HZ1 LYS 35 -12.313 8.705 5.982 283 HZ2 LYS 35 HZ2 LYS 35 -12.065 9.166 7.589 284 HZ3 LYS 35 HZ3 LYS 35 -13.577 8.588 7.097 285 H GLU 36 HN GLU 36 -9.848 2.426 7.234 286 HA GLU 36 HA GLU 36 -12.673 1.991 7.014 287 HB2 GLU 36 HB2 GLU 36 -10.263 1.141 5.462 288 HB3 GLU 36 HB1 GLU 36 -11.778 0.284 5.209 289 HG2 GLU 36 HG2 GLU 36 -11.492 3.270 4.977 290 HG3 GLU 36 HG1 GLU 36 -11.335 2.156 3.619 291 H GLY 37 HN GLY 37 -10.265 0.550 8.842 292 HA2 GLY 37 HA2 GLY 37 -10.537 -1.176 10.374 293 HA3 GLY 37 HA1 GLY 37 -12.058 -1.590 9.602 294 H LEU 38 HN LEU 38 -9.785 -1.281 7.227 295 HA LEU 38 HA LEU 38 -9.763 -4.051 6.634 296 HB2 LEU 38 HB2 LEU 38 -8.229 -1.708 5.528 297 HB3 LEU 38 HB1 LEU 38 -8.013 -3.337 4.923 298 HG LEU 38 HG LEU 38 -10.693 -1.968 4.944 299 HD11 LEU 38 HD11 LEU 38 -9.131 -0.637 3.621 300 HD12 LEU 38 HD12 LEU 38 -10.323 -1.439 2.600 301 HD13 LEU 38 HD13 LEU 38 -8.680 -2.074 2.704 302 HD21 LEU 38 HD21 LEU 38 -9.608 -4.332 3.422 303 HD22 LEU 38 HD22 LEU 38 -11.226 -3.651 3.248 304 HD23 LEU 38 HD23 LEU 38 -10.741 -4.399 4.771 305 H LEU 39 HN LEU 39 -7.341 -1.831 7.938 306 HA LEU 39 HA LEU 39 -5.808 -4.174 8.845 307 HB2 LEU 39 HB2 LEU 39 -4.795 -1.559 7.742 308 HB3 LEU 39 HB1 LEU 39 -3.785 -2.642 8.684 309 HG LEU 39 HG LEU 39 -5.081 -3.283 6.035 310 HD11 LEU 39 HD11 LEU 39 -2.205 -2.827 6.801 311 HD12 LEU 39 HD12 LEU 39 -3.213 -1.749 5.837 312 HD13 LEU 39 HD13 LEU 39 -2.776 -3.340 5.213 313 HD21 LEU 39 HD21 LEU 39 -5.015 -5.302 7.263 314 HD22 LEU 39 HD22 LEU 39 -3.416 -4.940 7.912 315 HD23 LEU 39 HD23 LEU 39 -3.608 -5.324 6.202 316 H MET 40 HN MET 40 -4.894 -4.043 10.884 317 HA MET 40 HA MET 40 -6.192 -2.156 12.664 318 HB2 MET 40 HB2 MET 40 -6.035 -4.578 13.219 319 HB3 MET 40 HB1 MET 40 -4.285 -4.415 13.304 320 HG2 MET 40 HG2 MET 40 -4.494 -2.868 15.158 321 HG3 MET 40 HG1 MET 40 -6.252 -2.949 15.049 322 HE1 MET 40 HE1 MET 40 -3.523 -6.412 16.407 323 HE2 MET 40 HE2 MET 40 -2.958 -4.781 16.039 324 HE3 MET 40 HE3 MET 40 -3.545 -5.826 14.744 325 H SER 41 HN SER 41 -2.938 -3.008 11.601 326 HA SER 41 HA SER 41 -2.025 -0.388 12.546 327 HB2 SER 41 HB2 SER 41 0.184 -1.916 13.022 328 HB3 SER 41 HB1 SER 41 -0.995 -1.476 14.257 329 HG SER 41 HG SER 41 -1.579 -3.741 12.731 330 HA PRO 42 HA PRO 42 -0.165 -0.070 8.537 331 HB2 PRO 42 HB2 PRO 42 2.236 1.100 9.830 332 HB3 PRO 42 HB1 PRO 42 1.145 1.809 8.625 333 HG2 PRO 42 HG2 PRO 42 1.122 2.632 11.151 334 HG3 PRO 42 HG1 PRO 42 -0.365 2.523 10.188 335 HD2 PRO 42 HD2 PRO 42 0.644 0.693 12.317 336 HD3 PRO 42 HD1 PRO 42 -1.016 1.218 11.967 337 H SER 43 HN SER 43 1.576 -1.505 11.169 338 HA SER 43 HA SER 43 3.720 -2.602 9.656 339 HB2 SER 43 HB2 SER 43 2.866 -3.892 12.197 340 HB3 SER 43 HB1 SER 43 4.476 -3.400 11.667 341 HG SER 43 HG SER 43 3.532 -2.121 13.408 342 H ASP 44 HN ASP 44 0.476 -3.323 9.669 343 HA ASP 44 HA ASP 44 0.721 -6.205 9.395 344 HB2 ASP 44 HB2 ASP 44 -1.636 -4.337 9.090 345 HB3 ASP 44 HB1 ASP 44 -1.737 -6.077 8.853 346 H LEU 45 HN LEU 45 1.497 -3.713 7.473 347 HA LEU 45 HA LEU 45 0.351 -4.288 4.977 348 HB2 LEU 45 HB2 LEU 45 2.485 -2.638 6.027 349 HB3 LEU 45 HB1 LEU 45 2.935 -3.332 4.483 350 HG LEU 45 HG LEU 45 1.965 -1.113 4.211 351 HD11 LEU 45 HD11 LEU 45 0.145 -3.278 3.168 352 HD12 LEU 45 HD12 LEU 45 1.665 -2.763 2.439 353 HD13 LEU 45 HD13 LEU 45 0.306 -1.645 2.522 354 HD21 LEU 45 HD21 LEU 45 0.507 -1.131 6.188 355 HD22 LEU 45 HD22 LEU 45 -0.555 -2.286 5.384 356 HD23 LEU 45 HD23 LEU 45 -0.360 -0.662 4.726 357 H TYR 46 HN TYR 46 2.879 -5.826 6.752 358 HA TYR 46 HA TYR 46 3.980 -7.184 4.447 359 HB2 TYR 46 HB2 TYR 46 4.611 -7.735 7.345 360 HB3 TYR 46 HB1 TYR 46 5.602 -8.095 5.935 361 HD1 TYR 46 HD1 TYR 46 6.339 -6.010 4.518 362 HD2 TYR 46 HD2 TYR 46 5.042 -5.813 8.565 363 HE1 TYR 46 HE1 TYR 46 7.480 -3.842 4.773 364 HE2 TYR 46 HE2 TYR 46 6.179 -3.652 8.834 365 HH TYR 46 HH TYR 46 8.049 -2.409 7.790 366 H SER 47 HN SER 47 1.167 -7.613 5.923 367 HA SER 47 HA SER 47 1.298 -10.514 6.193 368 HB2 SER 47 HB2 SER 47 -1.109 -8.704 6.524 369 HB3 SER 47 HB1 SER 47 -0.954 -10.376 7.065 370 HG SER 47 HG SER 47 1.038 -8.764 8.021 371 HA PRO 48 HA PRO 48 0.273 -10.573 1.801 372 HB2 PRO 48 HB2 PRO 48 0.607 -13.263 1.501 373 HB3 PRO 48 HB1 PRO 48 1.951 -12.108 1.513 374 HG2 PRO 48 HG2 PRO 48 0.972 -13.885 3.683 375 HG3 PRO 48 HG1 PRO 48 2.633 -13.457 3.230 376 HD2 PRO 48 HD2 PRO 48 1.346 -12.331 5.335 377 HD3 PRO 48 HD1 PRO 48 2.593 -11.490 4.393 378 H GLY 49 HN GLY 49 -1.234 -12.471 4.339 379 HA2 GLY 49 HA2 GLY 49 -3.296 -13.561 2.667 380 HA3 GLY 49 HA1 GLY 49 -3.260 -13.574 4.422 381 H SER 50 HN SER 50 -2.887 -10.560 4.342 382 HA SER 50 HA SER 50 -5.726 -9.968 4.311 383 HB2 SER 50 HB2 SER 50 -3.476 -8.102 5.067 384 HB3 SER 50 HB1 SER 50 -5.174 -7.998 5.535 385 HG SER 50 HG SER 50 -4.605 -9.110 7.211 386 H TRP 51 HN TRP 51 -3.296 -9.837 2.060 387 HA TRP 51 HA TRP 51 -3.730 -7.312 0.867 388 HB2 TRP 51 HB2 TRP 51 -2.633 -9.890 -0.261 389 HB3 TRP 51 HB1 TRP 51 -2.674 -8.378 -1.160 390 HD1 TRP 51 HD1 TRP 51 -1.879 -6.899 1.866 391 HE1 TRP 51 HE1 TRP 51 0.647 -6.802 2.377 392 HE3 TRP 51 HE3 TRP 51 -0.265 -10.438 -1.441 393 HZ2 TRP 51 HZ2 TRP 51 3.006 -8.077 1.487 394 HZ3 TRP 51 HZ3 TRP 51 2.144 -10.945 -1.550 395 HH2 TRP 51 HH2 TRP 51 3.736 -9.783 -0.119 396 H ASP 52 HN ASP 52 -5.213 -10.483 0.326 397 HA ASP 52 HA ASP 52 -6.610 -9.886 -2.007 398 HB2 ASP 52 HB2 ASP 52 -6.369 -12.174 -1.153 399 HB3 ASP 52 HB1 ASP 52 -7.439 -11.796 0.188 400 HA PRO 53 HA PRO 53 -10.528 -8.674 0.646 401 HB2 PRO 53 HB2 PRO 53 -9.874 -7.689 3.164 402 HB3 PRO 53 HB1 PRO 53 -10.538 -9.299 2.839 403 HG2 PRO 53 HG2 PRO 53 -7.726 -8.482 3.323 404 HG3 PRO 53 HG1 PRO 53 -8.592 -9.942 3.844 405 HD2 PRO 53 HD2 PRO 53 -6.865 -10.010 1.799 406 HD3 PRO 53 HD1 PRO 53 -8.346 -10.989 1.804 407 H ILE 54 HN ILE 54 -7.479 -7.008 1.417 408 HA ILE 54 HA ILE 54 -8.544 -4.402 1.452 409 HB ILE 54 HB ILE 54 -5.737 -5.329 0.847 410 HG12 ILE 54 HG12 ILE 54 -6.958 -4.149 3.350 411 HG13 ILE 54 HG11 ILE 54 -6.586 -5.852 3.114 412 HG21 ILE 54 HG21 ILE 54 -6.058 -3.123 -0.117 413 HG22 ILE 54 HG22 ILE 54 -5.056 -3.002 1.327 414 HG23 ILE 54 HG23 ILE 54 -6.756 -2.538 1.395 415 HD11 ILE 54 HD11 ILE 54 -4.202 -5.248 2.867 416 HD12 ILE 54 HD12 ILE 54 -4.874 -4.837 4.444 417 HD13 ILE 54 HD13 ILE 54 -4.624 -3.575 3.239 418 H THR 55 HN THR 55 -6.812 -6.131 -1.144 419 HA THR 55 HA THR 55 -6.990 -4.143 -3.089 420 HB THR 55 HB THR 55 -7.100 -7.110 -3.665 421 HG1 THR 55 HG1 THR 55 -5.345 -6.928 -2.362 422 HG21 THR 55 HG21 THR 55 -5.903 -6.515 -5.693 423 HG22 THR 55 HG22 THR 55 -5.860 -4.823 -5.202 424 HG23 THR 55 HG23 THR 55 -7.402 -5.586 -5.591 425 H ALA 56 HN ALA 56 -9.242 -6.738 -2.263 426 HA ALA 56 HA ALA 56 -11.073 -6.332 -4.351 427 HB1 ALA 56 HB1 ALA 56 -11.755 -7.333 -1.598 428 HB2 ALA 56 HB2 ALA 56 -10.937 -8.311 -2.815 429 HB3 ALA 56 HB3 ALA 56 -12.563 -7.703 -3.120 430 H ALA 57 HN ALA 57 -11.136 -5.162 -0.991 431 HA ALA 57 HA ALA 57 -13.497 -3.668 -1.176 432 HB1 ALA 57 HB1 ALA 57 -11.118 -3.142 0.603 433 HB2 ALA 57 HB2 ALA 57 -12.426 -4.273 0.946 434 HB3 ALA 57 HB3 ALA 57 -12.760 -2.545 0.850 435 H LEU 58 HN LEU 58 -10.123 -2.700 -1.728 436 HA LEU 58 HA LEU 58 -10.691 0.029 -2.185 437 HB2 LEU 58 HB2 LEU 58 -8.377 -1.699 -3.039 438 HB3 LEU 58 HB1 LEU 58 -8.447 0.025 -3.349 439 HG LEU 58 HG LEU 58 -8.385 -1.303 -0.639 440 HD11 LEU 58 HD11 LEU 58 -6.249 -1.306 -1.828 441 HD12 LEU 58 HD12 LEU 58 -6.215 -0.231 -0.431 442 HD13 LEU 58 HD13 LEU 58 -6.374 0.438 -2.054 443 HD21 LEU 58 HD21 LEU 58 -8.679 1.586 -1.431 444 HD22 LEU 58 HD22 LEU 58 -8.141 1.072 0.165 445 HD23 LEU 58 HD23 LEU 58 -9.747 0.626 -0.407 446 H SER 59 HN SER 59 -10.588 -2.777 -4.322 447 HA SER 59 HA SER 59 -10.819 -1.306 -6.739 448 HB2 SER 59 HB2 SER 59 -11.621 -4.167 -6.140 449 HB3 SER 59 HB1 SER 59 -11.483 -3.466 -7.752 450 HG SER 59 HG SER 59 -9.399 -3.816 -5.843 451 H GLN 60 HN GLN 60 -13.139 -2.695 -4.501 452 HA GLN 60 HA GLN 60 -15.479 -2.381 -5.986 453 HB2 GLN 60 HB2 GLN 60 -14.962 -2.358 -3.020 454 HB3 GLN 60 HB1 GLN 60 -16.582 -2.214 -3.686 455 HG2 GLN 60 HG2 GLN 60 -16.610 -4.373 -4.451 456 HG3 GLN 60 HG1 GLN 60 -14.853 -4.474 -4.556 457 HE21 GLN 60 HE21 GLN 60 -16.417 -3.182 -1.728 458 HE22 GLN 60 HE22 GLN 60 -16.080 -4.523 -0.687 459 H ARG 61 HN ARG 61 -14.302 -0.220 -3.400 460 HA ARG 61 HA ARG 61 -16.156 1.819 -3.877 461 HB2 ARG 61 HB2 ARG 61 -14.531 3.278 -2.619 462 HB3 ARG 61 HB1 ARG 61 -15.016 1.803 -1.796 463 HG2 ARG 61 HG2 ARG 61 -12.877 0.780 -2.728 464 HG3 ARG 61 HG1 ARG 61 -12.397 2.434 -3.108 465 HD2 ARG 61 HD2 ARG 61 -13.356 1.771 -0.360 466 HD3 ARG 61 HD1 ARG 61 -11.714 1.342 -0.829 467 HE ARG 61 HE ARG 61 -11.628 3.850 -1.482 468 HH11 ARG 61 HH11 ARG 61 -13.311 2.490 1.275 469 HH12 ARG 61 HH12 ARG 61 -13.143 3.915 2.241 470 HH21 ARG 61 HH21 ARG 61 -11.410 5.745 -0.206 471 HH22 ARG 61 HH22 ARG 61 -12.066 5.758 1.406 472 H ALA 62 HN ALA 62 -13.150 1.095 -5.499 473 HA ALA 62 HA ALA 62 -12.820 3.661 -6.688 474 HB1 ALA 62 HB1 ALA 62 -11.705 1.009 -7.582 475 HB2 ALA 62 HB2 ALA 62 -10.961 2.087 -6.399 476 HB3 ALA 62 HB3 ALA 62 -11.137 2.603 -8.076 477 H MET 63 HN MET 63 -14.243 0.607 -7.806 478 HA MET 63 HA MET 63 -14.927 1.763 -10.375 479 HB2 MET 63 HB2 MET 63 -15.722 -0.404 -10.984 480 HB3 MET 63 HB1 MET 63 -14.220 -0.625 -10.093 481 HG2 MET 63 HG2 MET 63 -15.510 -1.184 -8.088 482 HG3 MET 63 HG1 MET 63 -17.003 -0.984 -9.002 483 HE1 MET 63 HE1 MET 63 -13.561 -2.681 -10.080 484 HE2 MET 63 HE2 MET 63 -13.916 -4.351 -9.641 485 HE3 MET 63 HE3 MET 63 -13.815 -3.114 -8.389 486 H ILE 64 HN ILE 64 -16.458 1.459 -7.309 487 HA ILE 64 HA ILE 64 -19.119 1.764 -8.476 488 HB ILE 64 HB ILE 64 -18.273 1.437 -5.591 489 HG12 ILE 64 HG12 ILE 64 -19.753 -0.457 -7.438 490 HG13 ILE 64 HG11 ILE 64 -18.030 -0.556 -7.080 491 HG21 ILE 64 HG21 ILE 64 -20.722 1.078 -5.190 492 HG22 ILE 64 HG22 ILE 64 -21.015 1.713 -6.811 493 HG23 ILE 64 HG23 ILE 64 -20.269 2.735 -5.583 494 HD11 ILE 64 HD11 ILE 64 -20.282 -0.872 -5.106 495 HD12 ILE 64 HD12 ILE 64 -18.563 -0.924 -4.715 496 HD13 ILE 64 HD13 ILE 64 -19.267 -2.155 -5.764 497 H LEU 65 HN LEU 65 -16.956 3.539 -6.250 498 HA LEU 65 HA LEU 65 -18.754 5.822 -6.292 499 HB2 LEU 65 HB2 LEU 65 -16.198 5.190 -4.850 500 HB3 LEU 65 HB1 LEU 65 -16.775 6.844 -4.934 501 HG LEU 65 HG LEU 65 -18.973 5.935 -3.953 502 HD11 LEU 65 HD11 LEU 65 -17.132 3.684 -3.164 503 HD12 LEU 65 HD12 LEU 65 -18.446 3.556 -4.333 504 HD13 LEU 65 HD13 LEU 65 -18.802 3.914 -2.644 505 HD21 LEU 65 HD21 LEU 65 -17.388 7.352 -2.749 506 HD22 LEU 65 HD22 LEU 65 -16.461 5.925 -2.291 507 HD23 LEU 65 HD23 LEU 65 -18.106 6.140 -1.689 508 H GLY 66 HN GLY 66 -15.704 4.842 -7.708 509 HA2 GLY 66 HA2 GLY 66 -14.947 5.704 -9.784 510 HA3 GLY 66 HA1 GLY 66 -15.879 7.162 -9.486 511 H LYS 67 HN LYS 67 -13.637 5.620 -7.234 512 HA LYS 67 HA LYS 67 -11.781 7.846 -7.651 513 HB2 LYS 67 HB2 LYS 67 -11.400 7.657 -5.070 514 HB3 LYS 67 HB1 LYS 67 -12.717 8.631 -5.702 515 HG2 LYS 67 HG2 LYS 67 -14.286 6.815 -5.245 516 HG3 LYS 67 HG1 LYS 67 -12.958 5.822 -4.636 517 HD2 LYS 67 HD2 LYS 67 -14.059 6.777 -2.748 518 HD3 LYS 67 HD1 LYS 67 -12.523 7.621 -2.941 519 HE2 LYS 67 HE2 LYS 67 -13.929 9.310 -4.332 520 HE3 LYS 67 HE1 LYS 67 -15.299 8.587 -3.495 521 HZ1 LYS 67 HZ1 LYS 67 -14.157 9.123 -1.379 522 HZ2 LYS 67 HZ2 LYS 67 -14.566 10.490 -2.281 523 HZ3 LYS 67 HZ3 LYS 67 -12.968 9.942 -2.259 524 H SER 68 HN SER 68 -10.318 6.618 -8.735 525 HA SER 68 HA SER 68 -9.359 4.139 -7.539 526 HB2 SER 68 HB2 SER 68 -7.858 4.440 -9.774 527 HB3 SER 68 HB1 SER 68 -9.463 3.703 -9.778 528 HG SER 68 HG SER 68 -8.638 5.960 -10.972 529 H GLY 69 HN GLY 69 -8.709 7.334 -7.150 530 HA2 GLY 69 HA2 GLY 69 -5.915 7.522 -7.286 531 HA3 GLY 69 HA1 GLY 69 -6.951 8.502 -6.260 532 H GLU 70 HN GLU 70 -7.996 6.185 -4.816 533 HA GLU 70 HA GLU 70 -5.835 5.953 -2.905 534 HB2 GLU 70 HB2 GLU 70 -8.491 4.600 -2.598 535 HB3 GLU 70 HB1 GLU 70 -7.446 5.283 -1.360 536 HG2 GLU 70 HG2 GLU 70 -7.977 7.540 -2.531 537 HG3 GLU 70 HG1 GLU 70 -9.345 6.656 -3.202 538 H LEU 71 HN LEU 71 -6.805 4.263 -5.580 539 HA LEU 71 HA LEU 71 -6.008 1.640 -4.567 540 HB2 LEU 71 HB2 LEU 71 -7.893 2.473 -6.441 541 HB3 LEU 71 HB1 LEU 71 -6.590 1.814 -7.410 542 HG LEU 71 HG LEU 71 -8.222 0.384 -5.319 543 HD11 LEU 71 HD11 LEU 71 -8.746 -1.106 -7.215 544 HD12 LEU 71 HD12 LEU 71 -7.846 -0.028 -8.281 545 HD13 LEU 71 HD13 LEU 71 -9.301 0.549 -7.468 546 HD21 LEU 71 HD21 LEU 71 -6.847 -1.619 -5.965 547 HD22 LEU 71 HD22 LEU 71 -6.016 -0.418 -4.977 548 HD23 LEU 71 HD23 LEU 71 -5.703 -0.501 -6.711 549 H LYS 72 HN LYS 72 -4.936 4.249 -6.604 550 HA LYS 72 HA LYS 72 -2.983 3.055 -8.160 551 HB2 LYS 72 HB2 LYS 72 -3.086 5.787 -6.893 552 HB3 LYS 72 HB1 LYS 72 -1.829 5.313 -8.026 553 HG2 LYS 72 HG2 LYS 72 -4.180 4.660 -9.329 554 HG3 LYS 72 HG1 LYS 72 -4.545 6.184 -8.518 555 HD2 LYS 72 HD2 LYS 72 -2.181 5.669 -10.325 556 HD3 LYS 72 HD1 LYS 72 -3.643 6.553 -10.766 557 HE2 LYS 72 HE2 LYS 72 -3.142 8.321 -9.294 558 HE3 LYS 72 HE1 LYS 72 -1.922 7.372 -8.445 559 HZ1 LYS 72 HZ1 LYS 72 -0.556 7.427 -10.445 560 HZ2 LYS 72 HZ2 LYS 72 -0.902 8.989 -9.900 561 HZ3 LYS 72 HZ3 LYS 72 -1.722 8.358 -11.235 562 H THR 73 HN THR 73 -2.561 4.541 -4.959 563 HA THR 73 HA THR 73 0.138 3.963 -4.638 564 HB THR 73 HB THR 73 -1.749 3.956 -2.305 565 HG1 THR 73 HG1 THR 73 -1.857 6.231 -2.492 566 HG21 THR 73 HG21 THR 73 0.964 5.191 -2.796 567 HG22 THR 73 HG22 THR 73 0.641 3.728 -1.865 568 HG23 THR 73 HG23 THR 73 0.049 5.287 -1.289 569 H TRP 74 HN TRP 74 -2.720 2.068 -3.719 570 HA TRP 74 HA TRP 74 -1.349 0.005 -2.387 571 HB2 TRP 74 HB2 TRP 74 -3.749 0.325 -2.107 572 HB3 TRP 74 HB1 TRP 74 -4.024 -0.061 -3.804 573 HD1 TRP 74 HD1 TRP 74 -4.761 -2.470 -4.207 574 HE1 TRP 74 HE1 TRP 74 -4.516 -4.720 -2.973 575 HE3 TRP 74 HE3 TRP 74 -1.838 -0.935 -0.302 576 HZ2 TRP 74 HZ2 TRP 74 -3.259 -5.699 -0.656 577 HZ3 TRP 74 HZ3 TRP 74 -1.163 -2.595 1.379 578 HH2 TRP 74 HH2 TRP 74 -1.856 -4.928 1.207 579 H GLY 75 HN GLY 75 -2.406 0.344 -5.768 580 HA2 GLY 75 HA2 GLY 75 -1.684 -2.200 -6.686 581 HA3 GLY 75 HA1 GLY 75 -1.731 -0.749 -7.679 582 H LEU 76 HN LEU 76 0.261 0.708 -6.288 583 HA LEU 76 HA LEU 76 2.592 -0.400 -7.508 584 HB2 LEU 76 HB2 LEU 76 2.259 1.960 -5.664 585 HB3 LEU 76 HB1 LEU 76 3.741 1.560 -6.510 586 HG LEU 76 HG LEU 76 1.140 2.203 -7.896 587 HD11 LEU 76 HD11 LEU 76 1.943 4.133 -6.627 588 HD12 LEU 76 HD12 LEU 76 2.103 4.387 -8.365 589 HD13 LEU 76 HD13 LEU 76 3.521 3.983 -7.397 590 HD21 LEU 76 HD21 LEU 76 2.611 0.858 -9.251 591 HD22 LEU 76 HD22 LEU 76 3.972 1.916 -8.886 592 HD23 LEU 76 HD23 LEU 76 2.624 2.516 -9.852 593 H VAL 77 HN VAL 77 1.605 0.149 -4.137 594 HA VAL 77 HA VAL 77 3.925 -0.888 -2.923 595 HB VAL 77 HB VAL 77 1.097 -0.678 -1.872 596 HG11 VAL 77 HG11 VAL 77 3.642 -1.262 -0.363 597 HG12 VAL 77 HG12 VAL 77 2.307 -2.383 -0.623 598 HG13 VAL 77 HG13 VAL 77 2.066 -0.940 0.362 599 HG21 VAL 77 HG21 VAL 77 1.975 1.278 -0.671 600 HG22 VAL 77 HG22 VAL 77 2.114 1.462 -2.421 601 HG23 VAL 77 HG23 VAL 77 3.536 1.049 -1.464 602 H LEU 78 HN LEU 78 0.809 -2.420 -3.683 603 HA LEU 78 HA LEU 78 1.336 -4.926 -2.558 604 HB2 LEU 78 HB2 LEU 78 -0.895 -4.242 -3.236 605 HB3 LEU 78 HB1 LEU 78 -0.398 -4.191 -4.916 606 HG LEU 78 HG LEU 78 -0.077 -6.622 -4.906 607 HD11 LEU 78 HD11 LEU 78 -1.121 -6.474 -2.082 608 HD12 LEU 78 HD12 LEU 78 0.515 -6.928 -2.563 609 HD13 LEU 78 HD13 LEU 78 -0.851 -7.951 -3.006 610 HD21 LEU 78 HD21 LEU 78 -2.400 -7.240 -4.838 611 HD22 LEU 78 HD22 LEU 78 -2.249 -5.614 -5.507 612 HD23 LEU 78 HD23 LEU 78 -2.782 -5.837 -3.840 613 H GLY 79 HN GLY 79 2.039 -3.663 -5.793 614 HA2 GLY 79 HA2 GLY 79 2.913 -6.062 -6.965 615 HA3 GLY 79 HA1 GLY 79 3.416 -4.450 -7.459 616 H ALA 80 HN ALA 80 4.694 -3.590 -5.161 617 HA ALA 80 HA ALA 80 7.246 -4.798 -5.452 618 HB1 ALA 80 HB1 ALA 80 7.922 -3.267 -3.633 619 HB2 ALA 80 HB2 ALA 80 6.228 -2.838 -3.393 620 HB3 ALA 80 HB3 ALA 80 7.031 -2.444 -4.914 621 H LEU 81 HN LEU 81 4.727 -4.969 -2.984 622 HA LEU 81 HA LEU 81 6.188 -6.499 -1.115 623 HB2 LEU 81 HB2 LEU 81 3.280 -5.947 -1.548 624 HB3 LEU 81 HB1 LEU 81 3.778 -7.134 -0.360 625 HG LEU 81 HG LEU 81 4.655 -4.248 -0.352 626 HD11 LEU 81 HD11 LEU 81 2.223 -4.566 0.036 627 HD12 LEU 81 HD12 LEU 81 3.089 -3.901 1.422 628 HD13 LEU 81 HD13 LEU 81 2.622 -5.602 1.405 629 HD21 LEU 81 HD21 LEU 81 6.270 -5.666 0.741 630 HD22 LEU 81 HD22 LEU 81 4.995 -6.483 1.643 631 HD23 LEU 81 HD23 LEU 81 5.354 -4.786 1.965 632 H LYS 82 HN LYS 82 4.044 -7.377 -3.779 633 HA LYS 82 HA LYS 82 3.799 -10.110 -3.279 634 HB2 LYS 82 HB2 LYS 82 3.721 -8.454 -5.772 635 HB3 LYS 82 HB1 LYS 82 3.698 -10.206 -5.901 636 HG2 LYS 82 HG2 LYS 82 1.672 -10.297 -4.561 637 HG3 LYS 82 HG1 LYS 82 1.708 -8.545 -4.364 638 HD2 LYS 82 HD2 LYS 82 1.399 -8.223 -6.728 639 HD3 LYS 82 HD1 LYS 82 1.529 -9.957 -7.020 640 HE2 LYS 82 HE2 LYS 82 -0.510 -10.335 -5.737 641 HE3 LYS 82 HE1 LYS 82 -0.633 -8.607 -5.407 642 HZ1 LYS 82 HZ1 LYS 82 -0.824 -8.229 -7.808 643 HZ2 LYS 82 HZ2 LYS 82 -2.074 -9.206 -7.222 644 HZ3 LYS 82 HZ3 LYS 82 -0.794 -9.901 -8.078 645 H ALA 83 HN ALA 83 6.192 -8.414 -5.290 646 HA ALA 83 HA ALA 83 7.700 -10.665 -6.005 647 HB1 ALA 83 HB1 ALA 83 8.624 -7.809 -5.722 648 HB2 ALA 83 HB2 ALA 83 7.857 -8.504 -7.150 649 HB3 ALA 83 HB3 ALA 83 9.443 -9.080 -6.634 650 H ALA 84 HN ALA 84 7.899 -8.517 -3.223 651 HA ALA 84 HA ALA 84 10.356 -9.479 -2.201 652 HB1 ALA 84 HB1 ALA 84 8.090 -8.142 -0.734 653 HB2 ALA 84 HB2 ALA 84 9.424 -7.325 -1.546 654 HB3 ALA 84 HB3 ALA 84 9.738 -8.339 -0.139 655 H ARG 85 HN ARG 85 7.176 -10.793 -2.131 656 HA ARG 85 HA ARG 85 7.796 -12.557 0.108 657 HB2 ARG 85 HB2 ARG 85 5.331 -11.839 -1.401 658 HB3 ARG 85 HB1 ARG 85 5.395 -13.430 -0.658 659 HG2 ARG 85 HG2 ARG 85 5.946 -10.905 0.872 660 HG3 ARG 85 HG1 ARG 85 4.328 -11.584 0.694 661 HD2 ARG 85 HD2 ARG 85 4.894 -13.523 1.894 662 HD3 ARG 85 HD1 ARG 85 6.624 -13.218 1.742 663 HE ARG 85 HE ARG 85 5.822 -11.089 3.145 664 HH11 ARG 85 HH11 ARG 85 5.032 -14.379 5.310 665 HH12 ARG 85 HH12 ARG 85 5.201 -14.514 3.588 666 HH21 ARG 85 HH21 ARG 85 5.249 -12.341 6.337 667 HH22 ARG 85 HH22 ARG 85 5.574 -10.919 5.398 668 H GLU 86 HN GLU 86 7.911 -12.511 -3.304 669 HA GLU 86 HA GLU 86 7.800 -15.403 -3.557 670 HB2 GLU 86 HB2 GLU 86 8.356 -13.298 -5.654 671 HB3 GLU 86 HB1 GLU 86 8.063 -15.005 -5.957 672 HG2 GLU 86 HG2 GLU 86 5.806 -14.769 -5.031 673 HG3 GLU 86 HG1 GLU 86 6.105 -13.054 -4.764 674 H GLU 87 HN GLU 87 10.153 -12.793 -3.773 675 HA GLU 87 HA GLU 87 12.289 -14.802 -4.013 676 HB2 GLU 87 HB2 GLU 87 12.133 -11.903 -4.820 677 HB3 GLU 87 HB1 GLU 87 13.678 -12.726 -4.653 678 HG2 GLU 87 HG2 GLU 87 11.556 -13.940 -6.351 679 HG3 GLU 87 HG1 GLU 87 12.485 -12.574 -6.967 680 H1 FGV 101 H1 IP3 1 13.125 10.424 -1.580 681 H2 FGV 101 H2 IP3 1 13.661 8.999 0.344 682 H3 FGV 101 H3 IP3 1 12.750 11.233 0.804 683 H4 FGV 101 H4 IP3 1 10.014 9.864 0.858 684 H5 FGV 101 H5 IP3 1 11.157 11.957 -1.062 685 H6 FGV 101 H6 IP3 1 10.398 9.036 -1.556 686 H11 FGV 101 H11 IP3 1 15.097 6.552 -3.050 687 H12 FGV 101 H12 IP3 1 11.841 7.583 -0.463 688 H14 FGV 101 H14 IP3 1 10.044 12.527 0.738 689 H16 FGV 101 H16 IP3 1 10.531 11.155 -3.070 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 1.932 5.941 8.999 2 H2 SER 1 HT2 SER 1 1.322 4.899 10.181 3 H3 SER 1 HT3 SER 1 2.788 4.544 9.422 4 HA SER 1 HA SER 1 2.233 6.792 11.249 5 HB2 SER 1 HB2 SER 1 4.246 5.509 12.412 6 HB3 SER 1 HB1 SER 1 2.573 4.999 12.653 7 HG SER 1 HG SER 1 3.893 3.227 12.101 8 H GLU 2 HN GLU 2 5.426 5.439 10.889 9 HA GLU 2 HA GLU 2 6.177 7.590 9.057 10 HB2 GLU 2 HB2 GLU 2 8.173 8.012 10.696 11 HB3 GLU 2 HB1 GLU 2 6.623 8.795 10.958 12 HG2 GLU 2 HG2 GLU 2 6.193 7.630 12.843 13 HG3 GLU 2 HG1 GLU 2 7.010 6.180 12.267 14 H ALA 3 HN ALA 3 8.154 5.525 11.165 15 HA ALA 3 HA ALA 3 10.166 4.980 9.389 16 HB1 ALA 3 HB1 ALA 3 10.839 3.211 10.833 17 HB2 ALA 3 HB2 ALA 3 9.208 3.048 11.482 18 HB3 ALA 3 HB3 ALA 3 10.153 4.495 11.829 19 H VAL 4 HN VAL 4 7.216 3.058 9.846 20 HA VAL 4 HA VAL 4 7.881 0.903 8.219 21 HB VAL 4 HB VAL 4 5.090 2.034 8.376 22 HG11 VAL 4 HG11 VAL 4 6.143 -0.780 8.092 23 HG12 VAL 4 HG12 VAL 4 5.376 0.185 6.829 24 HG13 VAL 4 HG13 VAL 4 4.443 -0.334 8.233 25 HG21 VAL 4 HG21 VAL 4 4.824 0.609 10.406 26 HG22 VAL 4 HG22 VAL 4 5.886 1.996 10.632 27 HG23 VAL 4 HG23 VAL 4 6.574 0.387 10.418 28 H ILE 5 HN ILE 5 6.721 4.098 7.336 29 HA ILE 5 HA ILE 5 6.029 3.502 4.661 30 HB ILE 5 HB ILE 5 6.898 6.154 5.823 31 HG12 ILE 5 HG12 ILE 5 4.111 5.052 5.407 32 HG13 ILE 5 HG11 ILE 5 4.936 5.111 6.960 33 HG21 ILE 5 HG21 ILE 5 5.576 5.404 3.236 34 HG22 ILE 5 HG22 ILE 5 7.044 6.351 3.484 35 HG23 ILE 5 HG23 ILE 5 5.471 7.027 3.910 36 HD11 ILE 5 HD11 ILE 5 5.005 7.542 6.836 37 HD12 ILE 5 HD12 ILE 5 3.354 6.936 6.725 38 HD13 ILE 5 HD13 ILE 5 4.190 7.487 5.274 39 H LYS 6 HN LYS 6 9.015 4.652 6.192 40 HA LYS 6 HA LYS 6 10.478 5.094 3.827 41 HB2 LYS 6 HB2 LYS 6 10.965 5.547 6.443 42 HB3 LYS 6 HB1 LYS 6 11.938 4.103 6.210 43 HG2 LYS 6 HG2 LYS 6 12.189 6.510 4.433 44 HG3 LYS 6 HG1 LYS 6 13.103 6.334 5.928 45 HD2 LYS 6 HD2 LYS 6 14.052 4.231 5.080 46 HD3 LYS 6 HD1 LYS 6 13.162 4.450 3.573 47 HE2 LYS 6 HE2 LYS 6 15.155 6.442 4.640 48 HE3 LYS 6 HE1 LYS 6 15.571 5.157 3.508 49 HZ1 LYS 6 HZ1 LYS 6 13.389 7.045 2.891 50 HZ2 LYS 6 HZ2 LYS 6 14.326 6.122 1.829 51 HZ3 LYS 6 HZ3 LYS 6 14.998 7.470 2.595 52 H VAL 7 HN VAL 7 10.087 2.254 5.885 53 HA VAL 7 HA VAL 7 11.905 0.546 4.635 54 HB VAL 7 HB VAL 7 9.268 -0.209 5.912 55 HG11 VAL 7 HG11 VAL 7 10.413 -2.373 6.358 56 HG12 VAL 7 HG12 VAL 7 11.742 -1.831 5.334 57 HG13 VAL 7 HG13 VAL 7 10.135 -2.057 4.646 58 HG21 VAL 7 HG21 VAL 7 10.624 1.107 7.433 59 HG22 VAL 7 HG22 VAL 7 12.016 0.070 7.120 60 HG23 VAL 7 HG23 VAL 7 10.599 -0.579 7.947 61 H ILE 8 HN ILE 8 8.468 1.101 3.965 62 HA ILE 8 HA ILE 8 8.329 -0.748 1.805 63 HB ILE 8 HB ILE 8 6.509 1.594 2.403 64 HG12 ILE 8 HG12 ILE 8 6.603 0.078 4.305 65 HG13 ILE 8 HG11 ILE 8 5.058 -0.104 3.483 66 HG21 ILE 8 HG21 ILE 8 6.282 0.775 0.117 67 HG22 ILE 8 HG22 ILE 8 4.848 0.412 1.076 68 HG23 ILE 8 HG23 ILE 8 6.018 -0.860 0.721 69 HD11 ILE 8 HD11 ILE 8 5.966 -2.119 2.355 70 HD12 ILE 8 HD12 ILE 8 5.863 -2.255 4.110 71 HD13 ILE 8 HD13 ILE 8 7.421 -1.956 3.342 72 H SER 9 HN SER 9 8.877 2.732 2.031 73 HA SER 9 HA SER 9 8.728 3.376 -0.680 74 HB2 SER 9 HB2 SER 9 10.425 4.622 1.494 75 HB3 SER 9 HB1 SER 9 10.151 5.337 -0.095 76 HG SER 9 HG SER 9 8.179 4.749 1.872 77 H SER 10 HN SER 10 11.634 2.554 1.245 78 HA SER 10 HA SER 10 13.428 2.651 -0.910 79 HB2 SER 10 HB2 SER 10 13.580 1.037 1.645 80 HB3 SER 10 HB1 SER 10 14.932 1.347 0.555 81 HG SER 10 HG SER 10 15.202 3.088 1.673 82 H ALA 11 HN ALA 11 11.377 0.055 0.304 83 HA ALA 11 HA ALA 11 12.540 -2.054 -1.154 84 HB1 ALA 11 HB1 ALA 11 11.038 -2.406 0.749 85 HB2 ALA 11 HB2 ALA 11 10.493 -3.278 -0.684 86 HB3 ALA 11 HB3 ALA 11 9.692 -1.782 -0.204 87 H CYS 12 HN CYS 12 9.735 0.027 -1.891 88 HA CYS 12 HA CYS 12 9.331 -1.221 -4.440 89 HB2 CYS 12 HB2 CYS 12 7.692 0.623 -4.827 90 HB3 CYS 12 HB1 CYS 12 7.406 -0.286 -3.349 91 HG CYS 12 HG CYS 12 8.395 1.650 -1.648 92 H LYS 13 HN LYS 13 11.468 1.173 -3.305 93 HA LYS 13 HA LYS 13 11.725 2.687 -5.703 94 HB2 LYS 13 HB2 LYS 13 13.317 2.407 -3.195 95 HB3 LYS 13 HB1 LYS 13 14.095 3.131 -4.596 96 HG2 LYS 13 HG2 LYS 13 11.518 4.096 -3.382 97 HG3 LYS 13 HG1 LYS 13 13.111 4.782 -3.052 98 HD2 LYS 13 HD2 LYS 13 13.361 5.425 -5.365 99 HD3 LYS 13 HD1 LYS 13 11.851 4.617 -5.793 100 HE2 LYS 13 HE2 LYS 13 10.656 6.165 -4.265 101 HE3 LYS 13 HE1 LYS 13 12.174 7.019 -4.003 102 HZ1 LYS 13 HZ1 LYS 13 10.905 6.660 -6.660 103 HZ2 LYS 13 HZ2 LYS 13 12.258 7.605 -6.298 104 HZ3 LYS 13 HZ3 LYS 13 10.738 8.045 -5.706 105 H THR 14 HN THR 14 13.229 -0.219 -4.451 106 HA THR 14 HA THR 14 15.208 -0.351 -6.520 107 HB THR 14 HB THR 14 14.340 -2.731 -4.918 108 HG1 THR 14 HG1 THR 14 15.539 -0.355 -4.005 109 HG21 THR 14 HG21 THR 14 17.020 -1.730 -5.885 110 HG22 THR 14 HG22 THR 14 16.086 -3.053 -6.582 111 HG23 THR 14 HG23 THR 14 16.756 -3.208 -4.957 112 H TYR 15 HN TYR 15 12.062 -1.858 -5.919 113 HA TYR 15 HA TYR 15 12.198 -3.544 -8.224 114 HB2 TYR 15 HB2 TYR 15 10.024 -2.837 -6.277 115 HB3 TYR 15 HB1 TYR 15 9.665 -3.775 -7.723 116 HD1 TYR 15 HD1 TYR 15 9.976 -4.241 -4.433 117 HD2 TYR 15 HD2 TYR 15 11.870 -5.596 -7.996 118 HE1 TYR 15 HE1 TYR 15 10.696 -6.288 -3.275 119 HE2 TYR 15 HE2 TYR 15 12.587 -7.643 -6.844 120 HH TYR 15 HH TYR 15 11.338 -8.851 -4.294 121 H CYS 16 HN CYS 16 10.698 -0.413 -7.528 122 HA CYS 16 HA CYS 16 9.956 -0.240 -10.373 123 HB2 CYS 16 HB2 CYS 16 8.810 1.433 -8.139 124 HB3 CYS 16 HB1 CYS 16 8.186 1.241 -9.774 125 HG CYS 16 HG CYS 16 7.851 -1.666 -9.136 126 H GLY 17 HN GLY 17 10.483 2.220 -7.835 127 HA2 GLY 17 HA2 GLY 17 12.510 3.571 -7.825 128 HA3 GLY 17 HA1 GLY 17 12.569 3.386 -9.573 129 H LYS 18 HN LYS 18 11.260 4.664 -10.873 130 HA LYS 18 HA LYS 18 10.381 7.125 -9.623 131 HB2 LYS 18 HB2 LYS 18 9.980 7.896 -11.953 132 HB3 LYS 18 HB1 LYS 18 11.626 7.350 -11.677 133 HG2 LYS 18 HG2 LYS 18 9.714 5.356 -12.736 134 HG3 LYS 18 HG1 LYS 18 10.200 6.660 -13.818 135 HD2 LYS 18 HD2 LYS 18 12.156 4.932 -12.311 136 HD3 LYS 18 HD1 LYS 18 11.599 4.573 -13.944 137 HE2 LYS 18 HE2 LYS 18 12.602 6.511 -14.820 138 HE3 LYS 18 HE1 LYS 18 12.835 7.212 -13.220 139 HZ1 LYS 18 HZ1 LYS 18 14.260 4.889 -14.381 140 HZ2 LYS 18 HZ2 LYS 18 14.401 5.363 -12.768 141 HZ3 LYS 18 HZ3 LYS 18 14.913 6.402 -13.999 142 H THR 19 HN THR 19 9.044 4.188 -10.692 143 HA THR 19 HA THR 19 6.364 5.180 -11.057 144 HB THR 19 HB THR 19 6.350 2.363 -10.720 145 HG1 THR 19 HG1 THR 19 7.999 1.896 -12.383 146 HG21 THR 19 HG21 THR 19 4.939 3.622 -12.269 147 HG22 THR 19 HG22 THR 19 5.845 2.379 -13.131 148 HG23 THR 19 HG23 THR 19 6.355 4.066 -13.219 149 H SER 20 HN SER 20 8.199 4.801 -8.409 150 HA SER 20 HA SER 20 6.324 3.461 -6.680 151 HB2 SER 20 HB2 SER 20 8.752 5.069 -5.867 152 HB3 SER 20 HB1 SER 20 7.966 3.766 -4.971 153 HG SER 20 HG SER 20 9.023 2.340 -6.116 154 HA PRO 21 HA PRO 21 4.061 7.107 -5.592 155 HB2 PRO 21 HB2 PRO 21 2.933 6.269 -3.281 156 HB3 PRO 21 HB1 PRO 21 2.435 5.635 -4.861 157 HG2 PRO 21 HG2 PRO 21 4.207 4.406 -2.813 158 HG3 PRO 21 HG1 PRO 21 2.973 3.655 -3.843 159 HD2 PRO 21 HD2 PRO 21 5.657 3.547 -4.361 160 HD3 PRO 21 HD1 PRO 21 4.397 3.419 -5.603 161 H SER 22 HN SER 22 4.155 8.895 -4.263 162 HA SER 22 HA SER 22 6.591 9.319 -2.860 163 HB2 SER 22 HB2 SER 22 4.658 11.348 -2.260 164 HB3 SER 22 HB1 SER 22 6.051 11.436 -3.343 165 HG SER 22 HG SER 22 4.801 11.053 -5.030 166 H LYS 23 HN LYS 23 6.705 10.156 -0.609 167 HA LYS 23 HA LYS 23 5.663 8.305 1.220 168 HB2 LYS 23 HB2 LYS 23 7.702 9.587 1.657 169 HB3 LYS 23 HB1 LYS 23 6.768 11.073 1.753 170 HG2 LYS 23 HG2 LYS 23 5.635 10.278 3.733 171 HG3 LYS 23 HG1 LYS 23 6.456 8.722 3.613 172 HD2 LYS 23 HD2 LYS 23 8.622 9.935 3.861 173 HD3 LYS 23 HD1 LYS 23 7.701 11.410 4.169 174 HE2 LYS 23 HE2 LYS 23 6.586 10.231 6.062 175 HE3 LYS 23 HE1 LYS 23 7.667 8.867 5.789 176 HZ1 LYS 23 HZ1 LYS 23 9.513 10.599 6.074 177 HZ2 LYS 23 HZ2 LYS 23 8.708 10.063 7.456 178 HZ3 LYS 23 HZ3 LYS 23 8.322 11.565 6.780 179 H LYS 24 HN LYS 24 4.559 11.530 0.301 180 HA LYS 24 HA LYS 24 2.609 11.858 2.301 181 HB2 LYS 24 HB2 LYS 24 2.852 12.992 -0.479 182 HB3 LYS 24 HB1 LYS 24 1.519 13.415 0.587 183 HG2 LYS 24 HG2 LYS 24 2.897 15.111 1.133 184 HG3 LYS 24 HG1 LYS 24 3.563 13.912 2.242 185 HD2 LYS 24 HD2 LYS 24 5.012 13.343 0.068 186 HD3 LYS 24 HD1 LYS 24 4.697 15.050 -0.244 187 HE2 LYS 24 HE2 LYS 24 5.558 15.575 2.021 188 HE3 LYS 24 HE1 LYS 24 5.963 13.872 2.225 189 HZ1 LYS 24 HZ1 LYS 24 7.429 14.057 0.291 190 HZ2 LYS 24 HZ2 LYS 24 7.892 15.099 1.539 191 HZ3 LYS 24 HZ3 LYS 24 7.085 15.712 0.188 192 H GLU 25 HN GLU 25 2.535 10.157 -0.762 193 HA GLU 25 HA GLU 25 -0.302 9.761 -0.741 194 HB2 GLU 25 HB2 GLU 25 1.490 9.635 -2.713 195 HB3 GLU 25 HB1 GLU 25 1.472 7.933 -2.280 196 HG2 GLU 25 HG2 GLU 25 -0.904 7.817 -2.665 197 HG3 GLU 25 HG1 GLU 25 -0.965 9.549 -2.978 198 H ILE 26 HN ILE 26 2.532 7.752 0.003 199 HA ILE 26 HA ILE 26 1.144 5.412 0.689 200 HB ILE 26 HB ILE 26 3.768 6.365 1.861 201 HG12 ILE 26 HG12 ILE 26 3.248 4.668 -0.595 202 HG13 ILE 26 HG11 ILE 26 3.796 6.342 -0.611 203 HG21 ILE 26 HG21 ILE 26 2.824 4.523 3.118 204 HG22 ILE 26 HG22 ILE 26 4.205 3.955 2.181 205 HG23 ILE 26 HG23 ILE 26 2.567 3.603 1.635 206 HD11 ILE 26 HD11 ILE 26 5.840 5.624 0.596 207 HD12 ILE 26 HD12 ILE 26 5.662 4.901 -1.003 208 HD13 ILE 26 HD13 ILE 26 5.294 3.954 0.438 209 H GLY 27 HN GLY 27 2.150 8.199 2.636 210 HA2 GLY 27 HA2 GLY 27 1.346 7.257 5.152 211 HA3 GLY 27 HA1 GLY 27 1.461 8.951 4.691 212 H ALA 28 HN ALA 28 -0.469 9.016 2.675 213 HA ALA 28 HA ALA 28 -2.834 9.326 4.201 214 HB1 ALA 28 HB1 ALA 28 -2.399 10.732 2.288 215 HB2 ALA 28 HB2 ALA 28 -3.894 9.834 2.027 216 HB3 ALA 28 HB3 ALA 28 -2.409 9.332 1.218 217 H MET 29 HN MET 29 -1.789 6.958 1.801 218 HA MET 29 HA MET 29 -4.118 5.427 1.649 219 HB2 MET 29 HB2 MET 29 -2.193 5.220 0.114 220 HB3 MET 29 HB1 MET 29 -1.246 4.500 1.406 221 HG2 MET 29 HG2 MET 29 -2.988 2.690 1.519 222 HG3 MET 29 HG1 MET 29 -3.653 3.364 0.034 223 HE1 MET 29 HE1 MET 29 -0.674 1.700 1.777 224 HE2 MET 29 HE2 MET 29 0.243 3.009 1.028 225 HE3 MET 29 HE3 MET 29 0.458 1.347 0.474 226 H LEU 30 HN LEU 30 -1.399 5.280 3.883 227 HA LEU 30 HA LEU 30 -2.050 2.905 5.206 228 HB2 LEU 30 HB2 LEU 30 -0.286 5.179 5.639 229 HB3 LEU 30 HB1 LEU 30 -0.890 4.508 7.141 230 HG LEU 30 HG LEU 30 -0.005 2.305 6.533 231 HD11 LEU 30 HD11 LEU 30 1.017 3.697 4.068 232 HD12 LEU 30 HD12 LEU 30 -0.209 2.430 4.124 233 HD13 LEU 30 HD13 LEU 30 1.457 2.068 4.579 234 HD21 LEU 30 HD21 LEU 30 1.405 3.822 7.798 235 HD22 LEU 30 HD22 LEU 30 2.002 4.539 6.302 236 HD23 LEU 30 HD23 LEU 30 2.381 2.861 6.686 237 H SER 31 HN SER 31 -3.022 6.252 5.900 238 HA SER 31 HA SER 31 -4.493 5.576 8.243 239 HB2 SER 31 HB2 SER 31 -4.508 8.025 6.471 240 HB3 SER 31 HB1 SER 31 -5.486 7.889 7.935 241 HG SER 31 HG SER 31 -3.277 7.262 8.873 242 H LEU 32 HN LEU 32 -5.296 5.862 4.835 243 HA LEU 32 HA LEU 32 -8.098 5.807 5.078 244 HB2 LEU 32 HB2 LEU 32 -6.122 5.432 2.948 245 HB3 LEU 32 HB1 LEU 32 -7.587 4.502 2.708 246 HG LEU 32 HG LEU 32 -7.637 6.690 1.570 247 HD11 LEU 32 HD11 LEU 32 -9.706 5.553 2.317 248 HD12 LEU 32 HD12 LEU 32 -9.854 7.308 2.239 249 HD13 LEU 32 HD13 LEU 32 -9.656 6.512 3.797 250 HD21 LEU 32 HD21 LEU 32 -7.566 7.812 4.368 251 HD22 LEU 32 HD22 LEU 32 -7.894 8.733 2.900 252 HD23 LEU 32 HD23 LEU 32 -6.315 7.986 3.136 253 H LEU 33 HN LEU 33 -5.745 3.181 4.654 254 HA LEU 33 HA LEU 33 -7.638 1.081 4.584 255 HB2 LEU 33 HB2 LEU 33 -4.734 1.029 5.411 256 HB3 LEU 33 HB1 LEU 33 -5.705 -0.384 5.045 257 HG LEU 33 HG LEU 33 -5.085 1.806 3.067 258 HD11 LEU 33 HD11 LEU 33 -3.524 0.223 2.068 259 HD12 LEU 33 HD12 LEU 33 -3.839 -0.920 3.373 260 HD13 LEU 33 HD13 LEU 33 -3.058 0.624 3.721 261 HD21 LEU 33 HD21 LEU 33 -6.407 -0.889 2.806 262 HD22 LEU 33 HD22 LEU 33 -5.846 0.068 1.436 263 HD23 LEU 33 HD23 LEU 33 -7.117 0.693 2.487 264 H GLN 34 HN GLN 34 -5.993 2.717 7.216 265 HA GLN 34 HA GLN 34 -6.700 0.841 9.235 266 HB2 GLN 34 HB2 GLN 34 -5.314 3.397 9.086 267 HB3 GLN 34 HB1 GLN 34 -6.318 3.273 10.525 268 HG2 GLN 34 HG2 GLN 34 -5.206 1.233 11.175 269 HG3 GLN 34 HG1 GLN 34 -4.265 1.244 9.686 270 HE21 GLN 34 HE21 GLN 34 -3.453 1.317 12.534 271 HE22 GLN 34 HE22 GLN 34 -2.438 2.709 12.674 272 H LYS 35 HN LYS 35 -8.071 3.974 8.247 273 HA LYS 35 HA LYS 35 -10.144 3.900 10.199 274 HB2 LYS 35 HB2 LYS 35 -11.010 5.867 9.174 275 HB3 LYS 35 HB1 LYS 35 -9.260 5.987 9.113 276 HG2 LYS 35 HG2 LYS 35 -9.262 5.361 6.776 277 HG3 LYS 35 HG1 LYS 35 -11.008 5.118 6.821 278 HD2 LYS 35 HD2 LYS 35 -9.684 7.754 7.434 279 HD3 LYS 35 HD1 LYS 35 -10.256 7.305 5.827 280 HE2 LYS 35 HE2 LYS 35 -12.511 7.135 6.606 281 HE3 LYS 35 HE1 LYS 35 -12.005 7.340 8.280 282 HZ1 LYS 35 HZ1 LYS 35 -11.835 9.380 6.134 283 HZ2 LYS 35 HZ2 LYS 35 -11.241 9.581 7.707 284 HZ3 LYS 35 HZ3 LYS 35 -12.899 9.387 7.448 285 H GLU 36 HN GLU 36 -9.778 2.360 7.175 286 HA GLU 36 HA GLU 36 -12.631 2.054 6.753 287 HB2 GLU 36 HB2 GLU 36 -10.178 1.363 5.224 288 HB3 GLU 36 HB1 GLU 36 -11.611 0.385 4.935 289 HG2 GLU 36 HG2 GLU 36 -11.439 3.380 4.678 290 HG3 GLU 36 HG1 GLU 36 -11.449 2.224 3.347 291 H GLY 37 HN GLY 37 -10.496 0.677 8.798 292 HA2 GLY 37 HA2 GLY 37 -10.740 -1.138 10.196 293 HA3 GLY 37 HA1 GLY 37 -12.255 -1.499 9.388 294 H LEU 38 HN LEU 38 -9.630 -1.186 7.265 295 HA LEU 38 HA LEU 38 -9.726 -4.012 6.672 296 HB2 LEU 38 HB2 LEU 38 -8.297 -1.669 5.435 297 HB3 LEU 38 HB1 LEU 38 -7.987 -3.317 4.917 298 HG LEU 38 HG LEU 38 -10.742 -2.092 4.870 299 HD11 LEU 38 HD11 LEU 38 -9.325 -0.742 3.453 300 HD12 LEU 38 HD12 LEU 38 -10.370 -1.756 2.453 301 HD13 LEU 38 HD13 LEU 38 -8.675 -2.187 2.680 302 HD21 LEU 38 HD21 LEU 38 -10.690 -4.517 4.841 303 HD22 LEU 38 HD22 LEU 38 -9.527 -4.498 3.514 304 HD23 LEU 38 HD23 LEU 38 -11.167 -3.903 3.259 305 H LEU 39 HN LEU 39 -7.484 -1.688 8.024 306 HA LEU 39 HA LEU 39 -5.823 -3.919 8.974 307 HB2 LEU 39 HB2 LEU 39 -4.802 -1.264 7.949 308 HB3 LEU 39 HB1 LEU 39 -3.818 -2.538 8.644 309 HG LEU 39 HG LEU 39 -5.385 -2.761 6.072 310 HD11 LEU 39 HD11 LEU 39 -2.431 -2.415 6.556 311 HD12 LEU 39 HD12 LEU 39 -3.523 -1.221 5.856 312 HD13 LEU 39 HD13 LEU 39 -3.190 -2.723 4.994 313 HD21 LEU 39 HD21 LEU 39 -5.232 -4.947 6.614 314 HD22 LEU 39 HD22 LEU 39 -3.898 -4.690 7.736 315 HD23 LEU 39 HD23 LEU 39 -3.587 -4.759 6.002 316 H MET 40 HN MET 40 -4.675 -3.454 10.964 317 HA MET 40 HA MET 40 -6.065 -1.398 12.549 318 HB2 MET 40 HB2 MET 40 -6.197 -3.825 13.271 319 HB3 MET 40 HB1 MET 40 -4.475 -3.732 13.620 320 HG2 MET 40 HG2 MET 40 -4.824 -2.104 15.317 321 HG3 MET 40 HG1 MET 40 -6.513 -1.903 14.854 322 HE1 MET 40 HE1 MET 40 -4.715 -5.455 17.164 323 HE2 MET 40 HE2 MET 40 -4.006 -3.844 17.093 324 HE3 MET 40 HE3 MET 40 -4.049 -4.851 15.646 325 H SER 41 HN SER 41 -2.930 -2.669 11.655 326 HA SER 41 HA SER 41 -1.693 -0.183 12.616 327 HB2 SER 41 HB2 SER 41 0.210 -2.268 12.872 328 HB3 SER 41 HB1 SER 41 -0.536 -1.325 14.164 329 HG SER 41 HG SER 41 -1.785 -3.595 12.996 330 HA PRO 42 HA PRO 42 0.215 -0.015 8.619 331 HB2 PRO 42 HB2 PRO 42 2.770 0.812 9.289 332 HB3 PRO 42 HB1 PRO 42 1.366 1.888 9.162 333 HG2 PRO 42 HG2 PRO 42 2.621 0.706 11.584 334 HG3 PRO 42 HG1 PRO 42 1.934 2.324 11.337 335 HD2 PRO 42 HD2 PRO 42 0.605 0.404 12.668 336 HD3 PRO 42 HD1 PRO 42 -0.233 1.603 11.662 337 H SER 43 HN SER 43 1.710 -1.800 11.188 338 HA SER 43 HA SER 43 3.646 -3.185 9.644 339 HB2 SER 43 HB2 SER 43 3.038 -4.728 11.895 340 HB3 SER 43 HB1 SER 43 4.311 -3.514 11.761 341 HG SER 43 HG SER 43 3.002 -2.980 13.494 342 H ASP 44 HN ASP 44 0.280 -3.429 9.805 343 HA ASP 44 HA ASP 44 -0.018 -6.250 9.485 344 HB2 ASP 44 HB2 ASP 44 -1.818 -3.887 9.078 345 HB3 ASP 44 HB1 ASP 44 -2.302 -5.464 8.469 346 H LEU 45 HN LEU 45 1.072 -3.797 7.456 347 HA LEU 45 HA LEU 45 0.166 -4.646 4.928 348 HB2 LEU 45 HB2 LEU 45 1.858 -2.643 5.973 349 HB3 LEU 45 HB1 LEU 45 2.800 -3.516 4.782 350 HG LEU 45 HG LEU 45 1.771 -1.615 3.734 351 HD11 LEU 45 HD11 LEU 45 1.897 -3.838 2.535 352 HD12 LEU 45 HD12 LEU 45 0.773 -2.651 1.876 353 HD13 LEU 45 HD13 LEU 45 0.169 -3.994 2.847 354 HD21 LEU 45 HD21 LEU 45 -0.073 -1.311 5.319 355 HD22 LEU 45 HD22 LEU 45 -0.877 -2.729 4.647 356 HD23 LEU 45 HD23 LEU 45 -0.631 -1.297 3.646 357 H TYR 46 HN TYR 46 2.498 -5.978 7.058 358 HA TYR 46 HA TYR 46 4.048 -7.298 5.022 359 HB2 TYR 46 HB2 TYR 46 4.008 -7.670 8.022 360 HB3 TYR 46 HB1 TYR 46 5.166 -8.418 6.932 361 HD1 TYR 46 HD1 TYR 46 6.366 -6.616 5.307 362 HD2 TYR 46 HD2 TYR 46 4.703 -5.782 9.134 363 HE1 TYR 46 HE1 TYR 46 7.817 -4.642 5.503 364 HE2 TYR 46 HE2 TYR 46 6.154 -3.809 9.342 365 HH TYR 46 HH TYR 46 7.847 -2.486 6.740 366 H SER 47 HN SER 47 1.018 -7.855 6.253 367 HA SER 47 HA SER 47 1.181 -10.760 6.207 368 HB2 SER 47 HB2 SER 47 -1.299 -9.060 6.526 369 HB3 SER 47 HB1 SER 47 -1.069 -10.738 7.011 370 HG SER 47 HG SER 47 0.765 -9.629 8.323 371 HA PRO 48 HA PRO 48 0.329 -10.485 1.785 372 HB2 PRO 48 HB2 PRO 48 0.690 -13.135 1.277 373 HB3 PRO 48 HB1 PRO 48 2.035 -12.000 1.488 374 HG2 PRO 48 HG2 PRO 48 0.892 -13.946 3.423 375 HG3 PRO 48 HG1 PRO 48 2.586 -13.517 3.115 376 HD2 PRO 48 HD2 PRO 48 1.171 -12.546 5.220 377 HD3 PRO 48 HD1 PRO 48 2.500 -11.661 4.451 378 H GLY 49 HN GLY 49 -1.236 -12.646 4.077 379 HA2 GLY 49 HA2 GLY 49 -3.262 -13.530 2.247 380 HA3 GLY 49 HA1 GLY 49 -3.268 -13.747 3.990 381 H SER 50 HN SER 50 -2.841 -10.747 4.227 382 HA SER 50 HA SER 50 -5.660 -10.089 4.266 383 HB2 SER 50 HB2 SER 50 -3.440 -8.235 5.087 384 HB3 SER 50 HB1 SER 50 -5.081 -8.347 5.722 385 HG SER 50 HG SER 50 -4.535 -10.036 6.923 386 H TRP 51 HN TRP 51 -3.214 -9.820 2.019 387 HA TRP 51 HA TRP 51 -3.674 -7.221 0.988 388 HB2 TRP 51 HB2 TRP 51 -2.512 -9.704 -0.274 389 HB3 TRP 51 HB1 TRP 51 -2.585 -8.151 -1.095 390 HD1 TRP 51 HD1 TRP 51 -1.817 -6.823 2.011 391 HE1 TRP 51 HE1 TRP 51 0.711 -6.699 2.507 392 HE3 TRP 51 HE3 TRP 51 -0.145 -10.136 -1.504 393 HZ2 TRP 51 HZ2 TRP 51 3.096 -7.851 1.522 394 HZ3 TRP 51 HZ3 TRP 51 2.271 -10.565 -1.672 395 HH2 TRP 51 HH2 TRP 51 3.857 -9.444 -0.191 396 H ASP 52 HN ASP 52 -5.189 -10.326 0.428 397 HA ASP 52 HA ASP 52 -6.508 -9.722 -1.961 398 HB2 ASP 52 HB2 ASP 52 -6.230 -11.993 -0.770 399 HB3 ASP 52 HB1 ASP 52 -7.715 -11.560 0.073 400 HA PRO 53 HA PRO 53 -10.485 -8.548 0.635 401 HB2 PRO 53 HB2 PRO 53 -9.832 -7.541 3.150 402 HB3 PRO 53 HB1 PRO 53 -10.517 -9.144 2.832 403 HG2 PRO 53 HG2 PRO 53 -7.698 -8.364 3.329 404 HG3 PRO 53 HG1 PRO 53 -8.583 -9.814 3.843 405 HD2 PRO 53 HD2 PRO 53 -6.840 -9.898 1.816 406 HD3 PRO 53 HD1 PRO 53 -8.334 -10.858 1.800 407 H ILE 54 HN ILE 54 -7.409 -6.909 1.265 408 HA ILE 54 HA ILE 54 -8.434 -4.285 1.388 409 HB ILE 54 HB ILE 54 -5.677 -5.229 0.579 410 HG12 ILE 54 HG12 ILE 54 -6.670 -4.113 3.207 411 HG13 ILE 54 HG11 ILE 54 -6.430 -5.826 2.883 412 HG21 ILE 54 HG21 ILE 54 -6.091 -2.989 -0.260 413 HG22 ILE 54 HG22 ILE 54 -4.953 -2.939 1.088 414 HG23 ILE 54 HG23 ILE 54 -6.636 -2.475 1.335 415 HD11 ILE 54 HD11 ILE 54 -4.037 -5.359 2.457 416 HD12 ILE 54 HD12 ILE 54 -4.554 -4.992 4.101 417 HD13 ILE 54 HD13 ILE 54 -4.318 -3.686 2.939 418 H THR 55 HN THR 55 -6.792 -5.981 -1.289 419 HA THR 55 HA THR 55 -7.139 -4.004 -3.222 420 HB THR 55 HB THR 55 -7.158 -6.952 -3.861 421 HG1 THR 55 HG1 THR 55 -5.348 -7.007 -2.746 422 HG21 THR 55 HG21 THR 55 -5.893 -6.248 -5.821 423 HG22 THR 55 HG22 THR 55 -5.914 -4.580 -5.256 424 HG23 THR 55 HG23 THR 55 -7.420 -5.366 -5.732 425 H ALA 56 HN ALA 56 -9.266 -6.668 -2.269 426 HA ALA 56 HA ALA 56 -11.164 -6.361 -4.332 427 HB1 ALA 56 HB1 ALA 56 -11.613 -7.443 -1.555 428 HB2 ALA 56 HB2 ALA 56 -10.964 -8.364 -2.913 429 HB3 ALA 56 HB3 ALA 56 -12.612 -7.739 -2.978 430 H ALA 57 HN ALA 57 -11.087 -5.082 -1.006 431 HA ALA 57 HA ALA 57 -13.554 -3.719 -1.146 432 HB1 ALA 57 HB1 ALA 57 -11.142 -3.142 0.571 433 HB2 ALA 57 HB2 ALA 57 -12.486 -4.207 0.981 434 HB3 ALA 57 HB3 ALA 57 -12.753 -2.470 0.814 435 H LEU 58 HN LEU 58 -10.257 -2.777 -1.970 436 HA LEU 58 HA LEU 58 -10.827 -0.038 -2.431 437 HB2 LEU 58 HB2 LEU 58 -8.612 -1.780 -3.505 438 HB3 LEU 58 HB1 LEU 58 -8.674 -0.036 -3.671 439 HG LEU 58 HG LEU 58 -8.591 -1.471 -1.023 440 HD11 LEU 58 HD11 LEU 58 -6.551 -1.844 -2.306 441 HD12 LEU 58 HD12 LEU 58 -6.266 -0.800 -0.914 442 HD13 LEU 58 HD13 LEU 58 -6.377 -0.104 -2.530 443 HD21 LEU 58 HD21 LEU 58 -7.928 0.807 -0.223 444 HD22 LEU 58 HD22 LEU 58 -9.598 0.671 -0.773 445 HD23 LEU 58 HD23 LEU 58 -8.384 1.427 -1.809 446 H SER 59 HN SER 59 -10.904 -2.902 -4.486 447 HA SER 59 HA SER 59 -11.287 -1.532 -6.932 448 HB2 SER 59 HB2 SER 59 -10.646 -3.963 -6.717 449 HB3 SER 59 HB1 SER 59 -12.308 -4.300 -6.231 450 HG SER 59 HG SER 59 -12.275 -2.835 -8.500 451 H GLN 60 HN GLN 60 -13.387 -2.513 -4.343 452 HA GLN 60 HA GLN 60 -15.872 -2.200 -5.586 453 HB2 GLN 60 HB2 GLN 60 -15.695 -3.294 -3.450 454 HB3 GLN 60 HB1 GLN 60 -15.038 -1.842 -2.707 455 HG2 GLN 60 HG2 GLN 60 -17.285 -0.770 -3.421 456 HG3 GLN 60 HG1 GLN 60 -17.840 -2.437 -3.554 457 HE21 GLN 60 HE21 GLN 60 -15.495 -1.323 -1.191 458 HE22 GLN 60 HE22 GLN 60 -16.511 -1.536 0.192 459 H ARG 61 HN ARG 61 -14.111 0.120 -3.510 460 HA ARG 61 HA ARG 61 -15.918 2.239 -3.940 461 HB2 ARG 61 HB2 ARG 61 -14.175 3.702 -3.012 462 HB3 ARG 61 HB1 ARG 61 -14.400 2.255 -2.045 463 HG2 ARG 61 HG2 ARG 61 -12.408 1.320 -3.400 464 HG3 ARG 61 HG1 ARG 61 -12.111 3.011 -3.811 465 HD2 ARG 61 HD2 ARG 61 -12.458 2.115 -0.967 466 HD3 ARG 61 HD1 ARG 61 -10.897 2.032 -1.775 467 HE ARG 61 HE ARG 61 -10.900 4.418 -1.953 468 HH11 ARG 61 HH11 ARG 61 -13.471 3.087 0.057 469 HH12 ARG 61 HH12 ARG 61 -13.747 4.577 0.901 470 HH21 ARG 61 HH21 ARG 61 -11.236 6.359 -0.794 471 HH22 ARG 61 HH22 ARG 61 -12.482 6.435 0.422 472 H ALA 62 HN ALA 62 -13.157 1.134 -5.762 473 HA ALA 62 HA ALA 62 -12.864 3.468 -7.361 474 HB1 ALA 62 HB1 ALA 62 -11.994 0.633 -7.907 475 HB2 ALA 62 HB2 ALA 62 -11.051 1.871 -7.076 476 HB3 ALA 62 HB3 ALA 62 -11.455 2.066 -8.782 477 H MET 63 HN MET 63 -14.822 0.558 -7.647 478 HA MET 63 HA MET 63 -15.648 1.325 -10.331 479 HB2 MET 63 HB2 MET 63 -16.620 -0.791 -10.553 480 HB3 MET 63 HB1 MET 63 -15.161 -1.077 -9.617 481 HG2 MET 63 HG2 MET 63 -16.441 -1.236 -7.586 482 HG3 MET 63 HG1 MET 63 -17.917 -0.795 -8.443 483 HE1 MET 63 HE1 MET 63 -15.001 -3.271 -9.522 484 HE2 MET 63 HE2 MET 63 -15.669 -4.796 -8.936 485 HE3 MET 63 HE3 MET 63 -15.222 -3.530 -7.791 486 H ILE 64 HN ILE 64 -16.916 1.361 -7.071 487 HA ILE 64 HA ILE 64 -19.604 1.963 -7.985 488 HB ILE 64 HB ILE 64 -18.429 1.775 -5.211 489 HG12 ILE 64 HG12 ILE 64 -20.347 0.026 -6.772 490 HG13 ILE 64 HG11 ILE 64 -18.684 -0.365 -6.351 491 HG21 ILE 64 HG21 ILE 64 -20.715 1.990 -4.363 492 HG22 ILE 64 HG22 ILE 64 -21.292 2.302 -6.001 493 HG23 ILE 64 HG23 ILE 64 -20.201 3.443 -5.218 494 HD11 ILE 64 HD11 ILE 64 -20.987 -0.038 -4.444 495 HD12 ILE 64 HD12 ILE 64 -19.315 -0.349 -3.971 496 HD13 ILE 64 HD13 ILE 64 -20.204 -1.546 -4.914 497 H LEU 65 HN LEU 65 -17.107 3.691 -6.084 498 HA LEU 65 HA LEU 65 -18.639 6.149 -6.366 499 HB2 LEU 65 HB2 LEU 65 -16.106 5.480 -4.886 500 HB3 LEU 65 HB1 LEU 65 -16.711 7.119 -5.020 501 HG LEU 65 HG LEU 65 -18.916 5.974 -4.052 502 HD11 LEU 65 HD11 LEU 65 -16.673 4.287 -2.952 503 HD12 LEU 65 HD12 LEU 65 -17.995 3.725 -3.974 504 HD13 LEU 65 HD13 LEU 65 -18.327 4.316 -2.343 505 HD21 LEU 65 HD21 LEU 65 -16.527 6.814 -2.417 506 HD22 LEU 65 HD22 LEU 65 -18.185 6.696 -1.827 507 HD23 LEU 65 HD23 LEU 65 -17.777 7.876 -3.072 508 H GLY 66 HN GLY 66 -16.079 4.545 -7.931 509 HA2 GLY 66 HA2 GLY 66 -15.047 5.115 -9.925 510 HA3 GLY 66 HA1 GLY 66 -15.874 6.665 -9.868 511 H LYS 67 HN LYS 67 -13.959 5.504 -7.199 512 HA LYS 67 HA LYS 67 -11.921 7.522 -7.855 513 HB2 LYS 67 HB2 LYS 67 -11.580 7.611 -5.315 514 HB3 LYS 67 HB1 LYS 67 -12.998 8.411 -5.977 515 HG2 LYS 67 HG2 LYS 67 -14.395 6.552 -5.314 516 HG3 LYS 67 HG1 LYS 67 -12.983 5.671 -4.731 517 HD2 LYS 67 HD2 LYS 67 -14.205 6.718 -2.887 518 HD3 LYS 67 HD1 LYS 67 -12.584 7.390 -3.050 519 HE2 LYS 67 HE2 LYS 67 -14.403 8.902 -4.658 520 HE3 LYS 67 HE1 LYS 67 -15.045 8.768 -3.023 521 HZ1 LYS 67 HZ1 LYS 67 -13.589 10.710 -3.365 522 HZ2 LYS 67 HZ2 LYS 67 -12.290 9.671 -3.668 523 HZ3 LYS 67 HZ3 LYS 67 -13.029 9.679 -2.147 524 H SER 68 HN SER 68 -10.036 6.674 -8.312 525 HA SER 68 HA SER 68 -9.334 4.064 -7.152 526 HB2 SER 68 HB2 SER 68 -7.587 4.305 -9.180 527 HB3 SER 68 HB1 SER 68 -9.207 3.648 -9.402 528 HG SER 68 HG SER 68 -8.573 5.340 -10.916 529 H GLY 69 HN GLY 69 -8.986 6.867 -6.092 530 HA2 GLY 69 HA2 GLY 69 -6.346 7.715 -6.175 531 HA3 GLY 69 HA1 GLY 69 -7.450 8.008 -4.842 532 H GLU 70 HN GLU 70 -7.857 5.651 -3.697 533 HA GLU 70 HA GLU 70 -5.346 5.150 -2.415 534 HB2 GLU 70 HB2 GLU 70 -7.939 3.641 -2.059 535 HB3 GLU 70 HB1 GLU 70 -6.592 3.717 -0.933 536 HG2 GLU 70 HG2 GLU 70 -8.060 5.183 0.034 537 HG3 GLU 70 HG1 GLU 70 -7.091 6.280 -0.948 538 H LEU 71 HN LEU 71 -7.146 3.667 -4.960 539 HA LEU 71 HA LEU 71 -6.007 1.065 -4.785 540 HB2 LEU 71 HB2 LEU 71 -7.992 2.312 -6.321 541 HB3 LEU 71 HB1 LEU 71 -6.783 1.782 -7.473 542 HG LEU 71 HG LEU 71 -8.419 0.098 -5.589 543 HD11 LEU 71 HD11 LEU 71 -9.095 -1.021 -7.612 544 HD12 LEU 71 HD12 LEU 71 -7.996 -0.025 -8.567 545 HD13 LEU 71 HD13 LEU 71 -9.380 0.712 -7.761 546 HD21 LEU 71 HD21 LEU 71 -7.102 -1.839 -6.500 547 HD22 LEU 71 HD22 LEU 71 -6.241 -0.813 -5.353 548 HD23 LEU 71 HD23 LEU 71 -5.919 -0.667 -7.081 549 H LYS 72 HN LYS 72 -5.142 4.010 -6.512 550 HA LYS 72 HA LYS 72 -3.202 2.948 -8.227 551 HB2 LYS 72 HB2 LYS 72 -3.690 5.655 -7.058 552 HB3 LYS 72 HB1 LYS 72 -2.181 5.355 -7.906 553 HG2 LYS 72 HG2 LYS 72 -4.190 4.339 -9.566 554 HG3 LYS 72 HG1 LYS 72 -4.786 5.891 -8.973 555 HD2 LYS 72 HD2 LYS 72 -2.065 5.461 -10.195 556 HD3 LYS 72 HD1 LYS 72 -3.473 6.054 -11.077 557 HE2 LYS 72 HE2 LYS 72 -3.536 8.057 -9.870 558 HE3 LYS 72 HE1 LYS 72 -2.527 7.416 -8.575 559 HZ1 LYS 72 HZ1 LYS 72 -0.620 7.569 -9.910 560 HZ2 LYS 72 HZ2 LYS 72 -1.447 9.017 -10.175 561 HZ3 LYS 72 HZ3 LYS 72 -1.513 7.785 -11.331 562 H THR 73 HN THR 73 -2.777 4.465 -5.045 563 HA THR 73 HA THR 73 -0.025 4.035 -4.816 564 HB THR 73 HB THR 73 -1.788 3.991 -2.401 565 HG1 THR 73 HG1 THR 73 -1.340 6.284 -4.062 566 HG21 THR 73 HG21 THR 73 0.733 5.509 -3.092 567 HG22 THR 73 HG22 THR 73 0.654 4.023 -2.146 568 HG23 THR 73 HG23 THR 73 -0.078 5.504 -1.525 569 H TRP 74 HN TRP 74 -2.779 2.073 -3.773 570 HA TRP 74 HA TRP 74 -1.349 0.117 -2.380 571 HB2 TRP 74 HB2 TRP 74 -3.746 0.312 -2.138 572 HB3 TRP 74 HB1 TRP 74 -3.988 -0.084 -3.836 573 HD1 TRP 74 HD1 TRP 74 -4.558 -2.537 -4.291 574 HE1 TRP 74 HE1 TRP 74 -4.287 -4.763 -3.025 575 HE3 TRP 74 HE3 TRP 74 -1.942 -0.851 -0.233 576 HZ2 TRP 74 HZ2 TRP 74 -3.110 -5.679 -0.636 577 HZ3 TRP 74 HZ3 TRP 74 -1.281 -2.467 1.497 578 HH2 TRP 74 HH2 TRP 74 -1.854 -4.832 1.298 579 H GLY 75 HN GLY 75 -2.490 0.120 -5.750 580 HA2 GLY 75 HA2 GLY 75 -1.608 -2.395 -6.503 581 HA3 GLY 75 HA1 GLY 75 -1.739 -1.026 -7.593 582 H LEU 76 HN LEU 76 0.226 0.624 -6.426 583 HA LEU 76 HA LEU 76 2.555 -0.421 -7.661 584 HB2 LEU 76 HB2 LEU 76 2.177 1.954 -5.839 585 HB3 LEU 76 HB1 LEU 76 3.652 1.607 -6.724 586 HG LEU 76 HG LEU 76 0.981 2.092 -8.042 587 HD11 LEU 76 HD11 LEU 76 1.695 4.096 -6.855 588 HD12 LEU 76 HD12 LEU 76 1.843 4.310 -8.600 589 HD13 LEU 76 HD13 LEU 76 3.280 3.997 -7.626 590 HD21 LEU 76 HD21 LEU 76 2.434 0.816 -9.442 591 HD22 LEU 76 HD22 LEU 76 3.800 1.870 -9.079 592 HD23 LEU 76 HD23 LEU 76 2.446 2.477 -10.032 593 H VAL 77 HN VAL 77 1.617 0.035 -4.274 594 HA VAL 77 HA VAL 77 4.072 -0.912 -3.197 595 HB VAL 77 HB VAL 77 1.329 -0.683 -1.944 596 HG11 VAL 77 HG11 VAL 77 3.990 -1.215 -0.623 597 HG12 VAL 77 HG12 VAL 77 2.632 -2.335 -0.727 598 HG13 VAL 77 HG13 VAL 77 2.484 -0.856 0.222 599 HG21 VAL 77 HG21 VAL 77 2.232 1.328 -0.905 600 HG22 VAL 77 HG22 VAL 77 2.311 1.436 -2.662 601 HG23 VAL 77 HG23 VAL 77 3.770 1.082 -1.736 602 H LEU 78 HN LEU 78 0.918 -2.423 -3.764 603 HA LEU 78 HA LEU 78 1.409 -4.923 -2.645 604 HB2 LEU 78 HB2 LEU 78 -0.807 -4.255 -3.291 605 HB3 LEU 78 HB1 LEU 78 -0.328 -4.108 -4.970 606 HG LEU 78 HG LEU 78 0.125 -6.617 -4.912 607 HD11 LEU 78 HD11 LEU 78 -1.503 -6.379 -2.384 608 HD12 LEU 78 HD12 LEU 78 0.176 -6.902 -2.499 609 HD13 LEU 78 HD13 LEU 78 -1.102 -7.885 -3.211 610 HD21 LEU 78 HD21 LEU 78 -2.214 -7.163 -5.298 611 HD22 LEU 78 HD22 LEU 78 -1.800 -5.615 -6.034 612 HD23 LEU 78 HD23 LEU 78 -2.707 -5.656 -4.523 613 H GLY 79 HN GLY 79 1.995 -3.779 -5.942 614 HA2 GLY 79 HA2 GLY 79 2.843 -6.205 -7.048 615 HA3 GLY 79 HA1 GLY 79 3.287 -4.610 -7.634 616 H ALA 80 HN ALA 80 4.668 -3.693 -5.372 617 HA ALA 80 HA ALA 80 7.212 -4.880 -5.837 618 HB1 ALA 80 HB1 ALA 80 6.380 -2.872 -3.746 619 HB2 ALA 80 HB2 ALA 80 6.947 -2.498 -5.374 620 HB3 ALA 80 HB3 ALA 80 8.037 -3.260 -4.215 621 H LEU 81 HN LEU 81 5.018 -4.830 -3.036 622 HA LEU 81 HA LEU 81 6.681 -6.337 -1.333 623 HB2 LEU 81 HB2 LEU 81 3.711 -5.864 -1.352 624 HB3 LEU 81 HB1 LEU 81 4.496 -6.832 -0.116 625 HG LEU 81 HG LEU 81 4.965 -3.901 -0.673 626 HD11 LEU 81 HD11 LEU 81 3.812 -5.309 1.729 627 HD12 LEU 81 HD12 LEU 81 2.882 -4.436 0.510 628 HD13 LEU 81 HD13 LEU 81 4.029 -3.571 1.532 629 HD21 LEU 81 HD21 LEU 81 7.070 -4.828 -0.047 630 HD22 LEU 81 HD22 LEU 81 6.334 -5.786 1.237 631 HD23 LEU 81 HD23 LEU 81 6.400 -4.029 1.374 632 H LYS 82 HN LYS 82 4.207 -7.300 -3.665 633 HA LYS 82 HA LYS 82 4.052 -10.006 -2.940 634 HB2 LYS 82 HB2 LYS 82 2.477 -8.904 -4.507 635 HB3 LYS 82 HB1 LYS 82 3.757 -8.822 -5.710 636 HG2 LYS 82 HG2 LYS 82 3.860 -11.233 -5.827 637 HG3 LYS 82 HG1 LYS 82 2.669 -11.373 -4.536 638 HD2 LYS 82 HD2 LYS 82 2.114 -9.967 -7.136 639 HD3 LYS 82 HD1 LYS 82 1.795 -11.683 -6.885 640 HE2 LYS 82 HE2 LYS 82 0.281 -11.154 -5.060 641 HE3 LYS 82 HE1 LYS 82 0.643 -9.438 -5.233 642 HZ1 LYS 82 HZ1 LYS 82 -0.450 -9.351 -7.283 643 HZ2 LYS 82 HZ2 LYS 82 -1.469 -10.274 -6.297 644 HZ3 LYS 82 HZ3 LYS 82 -0.494 -11.034 -7.451 645 H ALA 83 HN ALA 83 6.105 -8.361 -5.319 646 HA ALA 83 HA ALA 83 7.509 -10.647 -6.181 647 HB1 ALA 83 HB1 ALA 83 8.393 -7.761 -6.178 648 HB2 ALA 83 HB2 ALA 83 7.495 -8.571 -7.462 649 HB3 ALA 83 HB3 ALA 83 9.147 -9.067 -7.092 650 H ALA 84 HN ALA 84 7.961 -8.451 -3.487 651 HA ALA 84 HA ALA 84 10.572 -9.234 -2.765 652 HB1 ALA 84 HB1 ALA 84 8.428 -8.192 -0.927 653 HB2 ALA 84 HB2 ALA 84 9.411 -7.175 -1.978 654 HB3 ALA 84 HB3 ALA 84 10.172 -8.108 -0.688 655 H ARG 85 HN ARG 85 7.462 -10.673 -2.269 656 HA ARG 85 HA ARG 85 8.553 -12.549 -0.307 657 HB2 ARG 85 HB2 ARG 85 5.773 -11.822 -1.167 658 HB3 ARG 85 HB1 ARG 85 6.074 -13.338 -0.331 659 HG2 ARG 85 HG2 ARG 85 7.142 -12.024 1.507 660 HG3 ARG 85 HG1 ARG 85 6.594 -10.559 0.692 661 HD2 ARG 85 HD2 ARG 85 4.351 -11.032 1.079 662 HD3 ARG 85 HD1 ARG 85 4.659 -12.744 1.356 663 HE ARG 85 HE ARG 85 5.082 -10.556 3.269 664 HH11 ARG 85 HH11 ARG 85 5.232 -14.465 4.205 665 HH12 ARG 85 HH12 ARG 85 5.147 -13.989 2.543 666 HH21 ARG 85 HH21 ARG 85 5.246 -12.892 5.864 667 HH22 ARG 85 HH22 ARG 85 5.170 -11.201 5.472 668 H GLU 86 HN GLU 86 8.181 -12.307 -3.614 669 HA GLU 86 HA GLU 86 7.513 -15.074 -4.117 670 HB2 GLU 86 HB2 GLU 86 8.383 -12.817 -5.930 671 HB3 GLU 86 HB1 GLU 86 8.087 -14.449 -6.511 672 HG2 GLU 86 HG2 GLU 86 5.783 -14.137 -5.330 673 HG3 GLU 86 HG1 GLU 86 6.169 -12.427 -5.474 674 H GLU 87 HN GLU 87 10.323 -13.241 -3.494 675 HA GLU 87 HA GLU 87 12.112 -15.233 -4.642 676 HB2 GLU 87 HB2 GLU 87 12.360 -12.441 -3.747 677 HB3 GLU 87 HB1 GLU 87 13.724 -13.460 -3.309 678 HG2 GLU 87 HG2 GLU 87 12.635 -13.257 -6.102 679 HG3 GLU 87 HG1 GLU 87 13.932 -12.235 -5.485 680 H1 FGV 101 H1 IP3 1 13.159 9.976 -1.149 681 H2 FGV 101 H2 IP3 1 13.991 8.408 0.566 682 H3 FGV 101 H3 IP3 1 12.947 10.484 1.339 683 H4 FGV 101 H4 IP3 1 10.325 8.891 1.428 684 H5 FGV 101 H5 IP3 1 11.133 11.260 -0.286 685 H6 FGV 101 H6 IP3 1 10.565 8.348 -1.055 686 H11 FGV 101 H11 IP3 1 16.031 7.584 -4.088 687 H12 FGV 101 H12 IP3 1 12.080 7.004 -0.262 688 H14 FGV 101 H14 IP3 1 10.162 11.562 1.683 689 H16 FGV 101 H16 IP3 1 10.381 10.621 -2.321 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 4.002 3.745 12.915 2 H2 SER 1 HT2 SER 1 5.208 3.610 11.743 3 H3 SER 1 HT3 SER 1 3.701 4.243 11.328 4 HA SER 1 HA SER 1 4.025 6.176 12.582 5 HB2 SER 1 HB2 SER 1 6.761 5.355 13.433 6 HB3 SER 1 HB1 SER 1 5.620 6.446 14.214 7 HG SER 1 HG SER 1 4.516 4.745 15.038 8 H GLU 2 HN GLU 2 7.261 4.952 11.645 9 HA GLU 2 HA GLU 2 7.146 6.559 9.219 10 HB2 GLU 2 HB2 GLU 2 9.364 7.622 9.810 11 HB3 GLU 2 HB1 GLU 2 7.970 8.202 10.714 12 HG2 GLU 2 HG2 GLU 2 8.635 6.543 12.511 13 HG3 GLU 2 HG1 GLU 2 10.153 6.367 11.638 14 H ALA 3 HN ALA 3 8.874 4.241 11.220 15 HA ALA 3 HA ALA 3 10.957 3.584 9.494 16 HB1 ALA 3 HB1 ALA 3 11.147 1.509 10.735 17 HB2 ALA 3 HB2 ALA 3 9.541 1.751 11.419 18 HB3 ALA 3 HB3 ALA 3 10.851 2.859 11.829 19 H VAL 4 HN VAL 4 7.690 2.191 9.712 20 HA VAL 4 HA VAL 4 8.041 0.168 7.796 21 HB VAL 4 HB VAL 4 5.469 1.654 8.384 22 HG11 VAL 4 HG11 VAL 4 5.871 -1.166 7.392 23 HG12 VAL 4 HG12 VAL 4 5.499 0.207 6.349 24 HG13 VAL 4 HG13 VAL 4 4.342 -0.305 7.576 25 HG21 VAL 4 HG21 VAL 4 6.486 0.808 10.440 26 HG22 VAL 4 HG22 VAL 4 6.621 -0.796 9.719 27 HG23 VAL 4 HG23 VAL 4 5.030 -0.099 10.032 28 H ILE 5 HN ILE 5 7.080 3.544 7.485 29 HA ILE 5 HA ILE 5 6.394 3.531 4.764 30 HB ILE 5 HB ILE 5 7.574 5.825 6.347 31 HG12 ILE 5 HG12 ILE 5 4.670 5.106 5.878 32 HG13 ILE 5 HG11 ILE 5 5.546 4.824 7.377 33 HG21 ILE 5 HG21 ILE 5 5.872 5.870 3.854 34 HG22 ILE 5 HG22 ILE 5 7.612 6.152 3.899 35 HG23 ILE 5 HG23 ILE 5 6.514 7.270 4.710 36 HD11 ILE 5 HD11 ILE 5 4.167 6.807 7.531 37 HD12 ILE 5 HD12 ILE 5 4.990 7.504 6.136 38 HD13 ILE 5 HD13 ILE 5 5.877 7.229 7.635 39 H LYS 6 HN LYS 6 9.491 4.170 6.393 40 HA LYS 6 HA LYS 6 10.948 4.759 4.054 41 HB2 LYS 6 HB2 LYS 6 11.857 3.717 6.743 42 HB3 LYS 6 HB1 LYS 6 12.966 4.184 5.463 43 HG2 LYS 6 HG2 LYS 6 10.966 5.998 6.802 44 HG3 LYS 6 HG1 LYS 6 12.696 5.951 7.128 45 HD2 LYS 6 HD2 LYS 6 11.543 6.550 4.410 46 HD3 LYS 6 HD1 LYS 6 11.913 7.797 5.596 47 HE2 LYS 6 HE2 LYS 6 14.209 7.389 5.490 48 HE3 LYS 6 HE1 LYS 6 13.988 5.805 4.754 49 HZ1 LYS 6 HZ1 LYS 6 14.785 7.490 3.175 50 HZ2 LYS 6 HZ2 LYS 6 13.372 8.382 3.419 51 HZ3 LYS 6 HZ3 LYS 6 13.290 6.846 2.720 52 H VAL 7 HN VAL 7 10.349 1.725 5.777 53 HA VAL 7 HA VAL 7 12.056 0.096 4.253 54 HB VAL 7 HB VAL 7 9.488 -0.611 5.686 55 HG11 VAL 7 HG11 VAL 7 10.277 -2.956 5.560 56 HG12 VAL 7 HG12 VAL 7 11.577 -2.437 4.486 57 HG13 VAL 7 HG13 VAL 7 9.896 -2.283 3.975 58 HG21 VAL 7 HG21 VAL 7 11.206 0.175 7.183 59 HG22 VAL 7 HG22 VAL 7 12.395 -0.896 6.443 60 HG23 VAL 7 HG23 VAL 7 11.049 -1.572 7.361 61 H ILE 8 HN ILE 8 8.630 0.919 3.846 62 HA ILE 8 HA ILE 8 8.182 -0.617 1.528 63 HB ILE 8 HB ILE 8 6.826 1.921 2.459 64 HG12 ILE 8 HG12 ILE 8 6.561 0.072 4.020 65 HG13 ILE 8 HG11 ILE 8 5.037 0.381 3.198 66 HG21 ILE 8 HG21 ILE 8 6.512 1.632 0.059 67 HG22 ILE 8 HG22 ILE 8 5.005 1.368 0.933 68 HG23 ILE 8 HG23 ILE 8 5.923 -0.011 0.324 69 HD11 ILE 8 HD11 ILE 8 5.568 -1.510 1.664 70 HD12 ILE 8 HD12 ILE 8 5.346 -1.972 3.351 71 HD13 ILE 8 HD13 ILE 8 6.970 -1.861 2.675 72 H SER 9 HN SER 9 9.249 2.718 1.996 73 HA SER 9 HA SER 9 9.295 3.518 -0.686 74 HB2 SER 9 HB2 SER 9 9.490 5.030 1.291 75 HB3 SER 9 HB1 SER 9 11.134 4.444 1.532 76 HG SER 9 HG SER 9 10.174 5.710 -0.826 77 H SER 10 HN SER 10 11.921 2.202 1.349 78 HA SER 10 HA SER 10 13.875 2.192 -0.661 79 HB2 SER 10 HB2 SER 10 13.641 0.365 1.738 80 HB3 SER 10 HB1 SER 10 15.106 0.656 0.802 81 HG SER 10 HG SER 10 15.270 2.048 2.463 82 H ALA 11 HN ALA 11 11.275 -0.019 0.017 83 HA ALA 11 HA ALA 11 12.341 -2.179 -1.541 84 HB1 ALA 11 HB1 ALA 11 10.866 -2.696 0.281 85 HB2 ALA 11 HB2 ALA 11 10.100 -3.195 -1.228 86 HB3 ALA 11 HB3 ALA 11 9.584 -1.712 -0.423 87 H CYS 12 HN CYS 12 9.655 0.133 -2.028 88 HA CYS 12 HA CYS 12 9.060 -0.792 -4.630 89 HB2 CYS 12 HB2 CYS 12 7.825 1.386 -4.873 90 HB3 CYS 12 HB1 CYS 12 7.360 0.418 -3.480 91 HG CYS 12 HG CYS 12 8.696 1.976 -1.624 92 H LYS 13 HN LYS 13 11.419 1.478 -3.438 93 HA LYS 13 HA LYS 13 11.933 2.830 -5.856 94 HB2 LYS 13 HB2 LYS 13 13.427 2.435 -3.309 95 HB3 LYS 13 HB1 LYS 13 14.305 3.062 -4.698 96 HG2 LYS 13 HG2 LYS 13 11.749 4.292 -3.710 97 HG3 LYS 13 HG1 LYS 13 13.337 4.766 -3.104 98 HD2 LYS 13 HD2 LYS 13 14.026 5.368 -5.370 99 HD3 LYS 13 HD1 LYS 13 12.445 4.878 -5.984 100 HE2 LYS 13 HE2 LYS 13 11.353 6.618 -4.770 101 HE3 LYS 13 HE1 LYS 13 12.833 7.013 -3.896 102 HZ1 LYS 13 HZ1 LYS 13 12.320 8.560 -5.734 103 HZ2 LYS 13 HZ2 LYS 13 12.512 7.294 -6.832 104 HZ3 LYS 13 HZ3 LYS 13 13.825 7.809 -5.904 105 H THR 14 HN THR 14 12.706 -0.377 -4.885 106 HA THR 14 HA THR 14 14.799 -0.586 -6.921 107 HB THR 14 HB THR 14 14.238 -3.078 -5.594 108 HG1 THR 14 HG1 THR 14 14.799 -0.842 -3.903 109 HG21 THR 14 HG21 THR 14 16.606 -1.207 -5.559 110 HG22 THR 14 HG22 THR 14 16.354 -2.567 -6.653 111 HG23 THR 14 HG23 THR 14 16.613 -2.855 -4.932 112 H TYR 15 HN TYR 15 11.547 -1.675 -6.194 113 HA TYR 15 HA TYR 15 11.545 -3.472 -8.476 114 HB2 TYR 15 HB2 TYR 15 9.458 -2.864 -6.380 115 HB3 TYR 15 HB1 TYR 15 9.200 -3.982 -7.717 116 HD1 TYR 15 HD1 TYR 15 9.817 -3.981 -4.381 117 HD2 TYR 15 HD2 TYR 15 11.494 -5.581 -7.947 118 HE1 TYR 15 HE1 TYR 15 10.879 -5.773 -3.074 119 HE2 TYR 15 HE2 TYR 15 12.553 -7.378 -6.655 120 HH TYR 15 HH TYR 15 13.293 -7.805 -4.362 121 H CYS 16 HN CYS 16 9.879 -0.508 -7.460 122 HA CYS 16 HA CYS 16 8.741 -0.253 -10.147 123 HB2 CYS 16 HB2 CYS 16 8.265 1.505 -7.730 124 HB3 CYS 16 HB1 CYS 16 7.335 1.482 -9.224 125 HG CYS 16 HG CYS 16 6.287 -1.081 -8.794 126 H GLY 17 HN GLY 17 10.857 1.389 -7.851 127 HA2 GLY 17 HA2 GLY 17 12.678 2.743 -8.272 128 HA3 GLY 17 HA1 GLY 17 12.387 2.541 -9.992 129 H LYS 18 HN LYS 18 11.124 4.011 -11.085 130 HA LYS 18 HA LYS 18 10.901 6.595 -9.780 131 HB2 LYS 18 HB2 LYS 18 10.167 7.234 -12.208 132 HB3 LYS 18 HB1 LYS 18 11.854 6.916 -11.844 133 HG2 LYS 18 HG2 LYS 18 10.214 4.622 -12.754 134 HG3 LYS 18 HG1 LYS 18 10.617 5.858 -13.946 135 HD2 LYS 18 HD2 LYS 18 12.723 4.658 -12.176 136 HD3 LYS 18 HD1 LYS 18 12.221 3.854 -13.664 137 HE2 LYS 18 HE2 LYS 18 13.051 5.551 -15.008 138 HE3 LYS 18 HE1 LYS 18 13.003 6.741 -13.709 139 HZ1 LYS 18 HZ1 LYS 18 14.919 5.838 -12.739 140 HZ2 LYS 18 HZ2 LYS 18 15.263 5.876 -14.392 141 HZ3 LYS 18 HZ3 LYS 18 14.835 4.419 -13.650 142 H THR 19 HN THR 19 8.888 3.988 -10.699 143 HA THR 19 HA THR 19 6.463 5.588 -10.773 144 HB THR 19 HB THR 19 6.204 2.658 -10.656 145 HG1 THR 19 HG1 THR 19 7.431 3.804 -12.956 146 HG21 THR 19 HG21 THR 19 4.339 4.065 -11.298 147 HG22 THR 19 HG22 THR 19 4.835 3.090 -12.680 148 HG23 THR 19 HG23 THR 19 5.291 4.791 -12.595 149 H SER 20 HN SER 20 8.309 4.866 -8.311 150 HA SER 20 HA SER 20 6.575 3.488 -6.510 151 HB2 SER 20 HB2 SER 20 8.859 5.261 -5.682 152 HB3 SER 20 HB1 SER 20 8.282 3.781 -4.919 153 HG SER 20 HG SER 20 10.098 4.108 -6.919 154 HA PRO 21 HA PRO 21 4.078 6.929 -5.261 155 HB2 PRO 21 HB2 PRO 21 3.084 5.927 -2.951 156 HB3 PRO 21 HB1 PRO 21 2.593 5.295 -4.535 157 HG2 PRO 21 HG2 PRO 21 4.543 4.179 -2.584 158 HG3 PRO 21 HG1 PRO 21 3.326 3.348 -3.574 159 HD2 PRO 21 HD2 PRO 21 5.972 3.453 -4.227 160 HD3 PRO 21 HD1 PRO 21 4.667 3.288 -5.417 161 H SER 22 HN SER 22 4.339 8.765 -4.103 162 HA SER 22 HA SER 22 6.681 9.069 -2.488 163 HB2 SER 22 HB2 SER 22 4.498 11.115 -2.634 164 HB3 SER 22 HB1 SER 22 6.247 11.351 -2.594 165 HG SER 22 HG SER 22 6.391 10.762 -4.710 166 H LYS 23 HN LYS 23 6.418 10.356 -0.327 167 HA LYS 23 HA LYS 23 5.234 8.642 1.554 168 HB2 LYS 23 HB2 LYS 23 6.566 11.270 1.618 169 HB3 LYS 23 HB1 LYS 23 5.457 10.972 2.947 170 HG2 LYS 23 HG2 LYS 23 6.687 8.814 3.346 171 HG3 LYS 23 HG1 LYS 23 7.889 9.381 2.184 172 HD2 LYS 23 HD2 LYS 23 8.101 11.454 3.580 173 HD3 LYS 23 HD1 LYS 23 7.103 10.658 4.795 174 HE2 LYS 23 HE2 LYS 23 8.737 9.111 5.316 175 HE3 LYS 23 HE1 LYS 23 9.521 9.264 3.745 176 HZ1 LYS 23 HZ1 LYS 23 10.594 10.301 5.848 177 HZ2 LYS 23 HZ2 LYS 23 9.513 11.567 5.565 178 HZ3 LYS 23 HZ3 LYS 23 10.638 11.140 4.379 179 H LYS 24 HN LYS 24 4.103 11.685 0.168 180 HA LYS 24 HA LYS 24 1.835 12.077 1.752 181 HB2 LYS 24 HB2 LYS 24 2.499 12.839 -1.078 182 HB3 LYS 24 HB1 LYS 24 0.962 13.279 -0.347 183 HG2 LYS 24 HG2 LYS 24 1.945 14.730 1.161 184 HG3 LYS 24 HG1 LYS 24 3.528 13.960 1.025 185 HD2 LYS 24 HD2 LYS 24 2.275 15.335 -1.327 186 HD3 LYS 24 HD1 LYS 24 3.156 16.255 -0.106 187 HE2 LYS 24 HE2 LYS 24 5.164 15.088 -0.550 188 HE3 LYS 24 HE1 LYS 24 4.327 13.856 -1.491 189 HZ1 LYS 24 HZ1 LYS 24 4.477 16.707 -2.297 190 HZ2 LYS 24 HZ2 LYS 24 3.942 15.397 -3.222 191 HZ3 LYS 24 HZ3 LYS 24 5.576 15.528 -2.817 192 H GLU 25 HN GLU 25 2.374 9.934 -0.952 193 HA GLU 25 HA GLU 25 -0.409 9.333 -1.334 194 HB2 GLU 25 HB2 GLU 25 1.997 7.787 -2.301 195 HB3 GLU 25 HB1 GLU 25 0.358 7.678 -2.922 196 HG2 GLU 25 HG2 GLU 25 0.621 10.154 -3.514 197 HG3 GLU 25 HG1 GLU 25 2.344 9.891 -3.250 198 H ILE 26 HN ILE 26 2.396 7.601 -0.024 199 HA ILE 26 HA ILE 26 1.079 5.272 0.775 200 HB ILE 26 HB ILE 26 3.520 6.561 2.006 201 HG12 ILE 26 HG12 ILE 26 3.386 4.316 -0.008 202 HG13 ILE 26 HG11 ILE 26 3.580 6.004 -0.467 203 HG21 ILE 26 HG21 ILE 26 2.542 4.920 3.514 204 HG22 ILE 26 HG22 ILE 26 4.057 4.320 2.836 205 HG23 ILE 26 HG23 ILE 26 2.518 3.724 2.214 206 HD11 ILE 26 HD11 ILE 26 5.680 6.122 0.711 207 HD12 ILE 26 HD12 ILE 26 5.702 4.762 -0.411 208 HD13 ILE 26 HD13 ILE 26 5.464 4.479 1.313 209 H GLY 27 HN GLY 27 1.697 8.277 2.551 210 HA2 GLY 27 HA2 GLY 27 0.644 7.487 5.030 211 HA3 GLY 27 HA1 GLY 27 0.748 9.144 4.450 212 H ALA 28 HN ALA 28 -0.937 9.073 2.274 213 HA ALA 28 HA ALA 28 -3.466 9.376 3.473 214 HB1 ALA 28 HB1 ALA 28 -2.708 10.547 1.417 215 HB2 ALA 28 HB2 ALA 28 -4.297 9.802 1.258 216 HB3 ALA 28 HB3 ALA 28 -2.887 9.029 0.534 217 H MET 29 HN MET 29 -2.094 6.800 1.471 218 HA MET 29 HA MET 29 -4.415 5.218 1.286 219 HB2 MET 29 HB2 MET 29 -2.422 4.937 -0.149 220 HB3 MET 29 HB1 MET 29 -1.524 4.335 1.237 221 HG2 MET 29 HG2 MET 29 -3.365 2.546 1.386 222 HG3 MET 29 HG1 MET 29 -3.766 3.037 -0.258 223 HE1 MET 29 HE1 MET 29 0.152 1.045 1.106 224 HE2 MET 29 HE2 MET 29 -1.300 1.235 2.090 225 HE3 MET 29 HE3 MET 29 -0.322 2.645 1.676 226 H LEU 30 HN LEU 30 -1.770 5.275 3.629 227 HA LEU 30 HA LEU 30 -2.467 2.988 5.087 228 HB2 LEU 30 HB2 LEU 30 -0.316 4.133 5.323 229 HB3 LEU 30 HB1 LEU 30 -1.118 5.513 6.046 230 HG LEU 30 HG LEU 30 -1.851 3.991 7.918 231 HD11 LEU 30 HD11 LEU 30 -0.970 1.860 8.182 232 HD12 LEU 30 HD12 LEU 30 0.283 2.119 6.972 233 HD13 LEU 30 HD13 LEU 30 -1.395 1.913 6.471 234 HD21 LEU 30 HD21 LEU 30 1.078 4.462 7.410 235 HD22 LEU 30 HD22 LEU 30 0.426 3.938 8.963 236 HD23 LEU 30 HD23 LEU 30 -0.042 5.500 8.287 237 H SER 31 HN SER 31 -3.248 6.404 5.773 238 HA SER 31 HA SER 31 -4.855 5.930 8.008 239 HB2 SER 31 HB2 SER 31 -5.257 8.191 6.052 240 HB3 SER 31 HB1 SER 31 -5.584 8.188 7.785 241 HG SER 31 HG SER 31 -3.651 9.194 7.571 242 H LEU 32 HN LEU 32 -5.600 5.843 4.586 243 HA LEU 32 HA LEU 32 -8.413 5.809 4.803 244 HB2 LEU 32 HB2 LEU 32 -7.010 6.225 2.724 245 HB3 LEU 32 HB1 LEU 32 -6.770 4.493 2.641 246 HG LEU 32 HG LEU 32 -8.612 5.625 1.183 247 HD11 LEU 32 HD11 LEU 32 -8.227 3.225 1.314 248 HD12 LEU 32 HD12 LEU 32 -9.949 3.598 1.248 249 HD13 LEU 32 HD13 LEU 32 -9.202 3.145 2.780 250 HD21 LEU 32 HD21 LEU 32 -10.109 5.277 3.776 251 HD22 LEU 32 HD22 LEU 32 -10.797 5.736 2.219 252 HD23 LEU 32 HD23 LEU 32 -9.683 6.825 3.046 253 H LEU 33 HN LEU 33 -6.015 3.194 4.546 254 HA LEU 33 HA LEU 33 -7.870 1.072 4.620 255 HB2 LEU 33 HB2 LEU 33 -4.988 1.069 5.515 256 HB3 LEU 33 HB1 LEU 33 -5.947 -0.348 5.138 257 HG LEU 33 HG LEU 33 -5.117 1.794 3.177 258 HD11 LEU 33 HD11 LEU 33 -3.733 0.068 2.193 259 HD12 LEU 33 HD12 LEU 33 -4.257 -1.082 3.423 260 HD13 LEU 33 HD13 LEU 33 -3.290 0.321 3.881 261 HD21 LEU 33 HD21 LEU 33 -6.736 -0.718 2.796 262 HD22 LEU 33 HD22 LEU 33 -6.061 0.252 1.488 263 HD23 LEU 33 HD23 LEU 33 -7.276 0.945 2.561 264 H GLN 34 HN GLN 34 -6.465 3.032 7.104 265 HA GLN 34 HA GLN 34 -7.095 1.272 9.273 266 HB2 GLN 34 HB2 GLN 34 -6.397 4.211 9.218 267 HB3 GLN 34 HB1 GLN 34 -6.589 3.266 10.689 268 HG2 GLN 34 HG2 GLN 34 -4.724 1.905 10.161 269 HG3 GLN 34 HG1 GLN 34 -4.619 2.570 8.532 270 HE21 GLN 34 HE21 GLN 34 -2.559 2.456 10.527 271 HE22 GLN 34 HE22 GLN 34 -2.086 4.087 10.860 272 H LYS 35 HN LYS 35 -8.600 4.203 7.913 273 HA LYS 35 HA LYS 35 -10.730 4.228 9.800 274 HB2 LYS 35 HB2 LYS 35 -11.694 5.972 8.525 275 HB3 LYS 35 HB1 LYS 35 -9.958 6.189 8.385 276 HG2 LYS 35 HG2 LYS 35 -9.931 5.393 6.170 277 HG3 LYS 35 HG1 LYS 35 -11.568 4.749 6.302 278 HD2 LYS 35 HD2 LYS 35 -10.872 7.681 6.460 279 HD3 LYS 35 HD1 LYS 35 -11.420 6.866 4.994 280 HE2 LYS 35 HE2 LYS 35 -13.324 6.117 6.805 281 HE3 LYS 35 HE1 LYS 35 -12.938 7.752 7.338 282 HZ1 LYS 35 HZ1 LYS 35 -13.936 6.895 4.687 283 HZ2 LYS 35 HZ2 LYS 35 -13.257 8.421 4.946 284 HZ3 LYS 35 HZ3 LYS 35 -14.654 7.968 5.779 285 H GLU 36 HN GLU 36 -10.196 2.559 6.801 286 HA GLU 36 HA GLU 36 -12.947 1.827 6.421 287 HB2 GLU 36 HB2 GLU 36 -10.359 0.943 5.165 288 HB3 GLU 36 HB1 GLU 36 -11.887 0.164 4.781 289 HG2 GLU 36 HG2 GLU 36 -11.264 3.083 4.406 290 HG3 GLU 36 HG1 GLU 36 -11.292 1.860 3.139 291 H GLY 37 HN GLY 37 -10.594 0.846 8.560 292 HA2 GLY 37 HA2 GLY 37 -10.635 -0.798 10.163 293 HA3 GLY 37 HA1 GLY 37 -12.182 -1.332 9.518 294 H LEU 38 HN LEU 38 -9.721 -1.094 7.200 295 HA LEU 38 HA LEU 38 -9.738 -3.943 6.814 296 HB2 LEU 38 HB2 LEU 38 -8.308 -1.693 5.409 297 HB3 LEU 38 HB1 LEU 38 -8.095 -3.375 4.970 298 HG LEU 38 HG LEU 38 -10.787 -2.025 4.960 299 HD11 LEU 38 HD11 LEU 38 -9.335 -0.831 3.422 300 HD12 LEU 38 HD12 LEU 38 -10.519 -1.793 2.540 301 HD13 LEU 38 HD13 LEU 38 -8.853 -2.354 2.673 302 HD21 LEU 38 HD21 LEU 38 -10.831 -4.457 5.057 303 HD22 LEU 38 HD22 LEU 38 -9.757 -4.545 3.662 304 HD23 LEU 38 HD23 LEU 38 -11.383 -3.887 3.483 305 H LEU 39 HN LEU 39 -7.403 -1.500 7.846 306 HA LEU 39 HA LEU 39 -5.709 -3.693 8.851 307 HB2 LEU 39 HB2 LEU 39 -4.813 -1.058 7.681 308 HB3 LEU 39 HB1 LEU 39 -3.753 -2.186 8.503 309 HG LEU 39 HG LEU 39 -5.196 -2.630 5.892 310 HD11 LEU 39 HD11 LEU 39 -2.264 -2.561 6.560 311 HD12 LEU 39 HD12 LEU 39 -3.169 -1.243 5.816 312 HD13 LEU 39 HD13 LEU 39 -2.981 -2.775 4.962 313 HD21 LEU 39 HD21 LEU 39 -5.292 -4.759 6.730 314 HD22 LEU 39 HD22 LEU 39 -3.880 -4.539 7.759 315 HD23 LEU 39 HD23 LEU 39 -3.674 -4.774 6.025 316 H MET 40 HN MET 40 -4.784 -3.421 10.861 317 HA MET 40 HA MET 40 -5.964 -1.279 12.489 318 HB2 MET 40 HB2 MET 40 -6.377 -3.630 13.174 319 HB3 MET 40 HB1 MET 40 -4.646 -3.853 13.373 320 HG2 MET 40 HG2 MET 40 -4.733 -1.957 15.044 321 HG3 MET 40 HG1 MET 40 -6.489 -2.107 14.968 322 HE1 MET 40 HE1 MET 40 -3.130 -3.732 15.925 323 HE2 MET 40 HE2 MET 40 -3.719 -4.991 14.841 324 HE3 MET 40 HE3 MET 40 -3.590 -5.306 16.571 325 H SER 41 HN SER 41 -2.916 -2.957 11.871 326 HA SER 41 HA SER 41 -1.506 -0.657 13.057 327 HB2 SER 41 HB2 SER 41 0.352 -2.696 12.908 328 HB3 SER 41 HB1 SER 41 -0.544 -2.230 14.353 329 HG SER 41 HG SER 41 -1.751 -3.998 12.531 330 HA PRO 42 HA PRO 42 0.250 0.219 9.081 331 HB2 PRO 42 HB2 PRO 42 2.753 1.084 9.803 332 HB3 PRO 42 HB1 PRO 42 1.287 2.068 9.969 333 HG2 PRO 42 HG2 PRO 42 2.733 0.490 12.034 334 HG3 PRO 42 HG1 PRO 42 1.992 2.096 12.150 335 HD2 PRO 42 HD2 PRO 42 0.784 -0.101 13.129 336 HD3 PRO 42 HD1 PRO 42 -0.131 1.251 12.432 337 H SER 43 HN SER 43 1.793 -1.971 11.267 338 HA SER 43 HA SER 43 3.722 -2.964 9.375 339 HB2 SER 43 HB2 SER 43 3.598 -4.823 11.389 340 HB3 SER 43 HB1 SER 43 4.608 -3.373 11.422 341 HG SER 43 HG SER 43 2.576 -4.006 13.025 342 H ASP 44 HN ASP 44 0.446 -3.308 9.593 343 HA ASP 44 HA ASP 44 0.166 -6.116 9.190 344 HB2 ASP 44 HB2 ASP 44 -1.669 -3.769 8.943 345 HB3 ASP 44 HB1 ASP 44 -2.154 -5.320 8.271 346 H LEU 45 HN LEU 45 1.452 -3.800 7.241 347 HA LEU 45 HA LEU 45 0.367 -4.512 4.710 348 HB2 LEU 45 HB2 LEU 45 2.666 -2.892 5.664 349 HB3 LEU 45 HB1 LEU 45 2.731 -3.476 4.014 350 HG LEU 45 HG LEU 45 1.860 -1.258 3.973 351 HD11 LEU 45 HD11 LEU 45 0.794 -2.986 2.507 352 HD12 LEU 45 HD12 LEU 45 -0.180 -1.550 2.813 353 HD13 LEU 45 HD13 LEU 45 -0.532 -3.053 3.667 354 HD21 LEU 45 HD21 LEU 45 1.146 -0.969 6.230 355 HD22 LEU 45 HD22 LEU 45 -0.105 -2.199 6.050 356 HD23 LEU 45 HD23 LEU 45 -0.237 -0.670 5.178 357 H TYR 46 HN TYR 46 2.728 -5.930 6.766 358 HA TYR 46 HA TYR 46 4.182 -7.305 4.704 359 HB2 TYR 46 HB2 TYR 46 4.121 -7.857 7.677 360 HB3 TYR 46 HB1 TYR 46 5.320 -8.449 6.534 361 HD1 TYR 46 HD1 TYR 46 6.163 -6.190 5.010 362 HD2 TYR 46 HD2 TYR 46 5.046 -6.326 9.113 363 HE1 TYR 46 HE1 TYR 46 7.558 -4.211 5.453 364 HE2 TYR 46 HE2 TYR 46 6.427 -4.348 9.565 365 HH TYR 46 HH TYR 46 8.238 -3.132 8.679 366 H SER 47 HN SER 47 1.211 -7.837 6.264 367 HA SER 47 HA SER 47 1.217 -10.704 6.114 368 HB2 SER 47 HB2 SER 47 -1.398 -9.401 6.267 369 HB3 SER 47 HB1 SER 47 -0.640 -10.543 7.377 370 HG SER 47 HG SER 47 -0.579 -7.751 7.359 371 HA PRO 48 HA PRO 48 0.213 -10.512 1.734 372 HB2 PRO 48 HB2 PRO 48 0.623 -13.132 1.209 373 HB3 PRO 48 HB1 PRO 48 1.955 -11.986 1.430 374 HG2 PRO 48 HG2 PRO 48 0.865 -13.993 3.321 375 HG3 PRO 48 HG1 PRO 48 2.544 -13.498 3.038 376 HD2 PRO 48 HD2 PRO 48 1.009 -12.620 5.139 377 HD3 PRO 48 HD1 PRO 48 2.404 -11.746 4.479 378 H GLY 49 HN GLY 49 -1.280 -12.655 4.096 379 HA2 GLY 49 HA2 GLY 49 -3.303 -13.639 2.327 380 HA3 GLY 49 HA1 GLY 49 -3.300 -13.768 4.078 381 H SER 50 HN SER 50 -2.944 -10.765 4.196 382 HA SER 50 HA SER 50 -5.780 -10.176 4.146 383 HB2 SER 50 HB2 SER 50 -3.555 -8.346 5.044 384 HB3 SER 50 HB1 SER 50 -5.252 -8.300 5.519 385 HG SER 50 HG SER 50 -4.954 -9.960 6.856 386 H TRP 51 HN TRP 51 -3.292 -9.893 1.959 387 HA TRP 51 HA TRP 51 -3.731 -7.318 0.879 388 HB2 TRP 51 HB2 TRP 51 -2.555 -9.832 -0.301 389 HB3 TRP 51 HB1 TRP 51 -2.642 -8.316 -1.189 390 HD1 TRP 51 HD1 TRP 51 -1.896 -6.808 1.828 391 HE1 TRP 51 HE1 TRP 51 0.622 -6.651 2.353 392 HE3 TRP 51 HE3 TRP 51 -0.175 -10.330 -1.445 393 HZ2 TRP 51 HZ2 TRP 51 3.019 -7.869 1.484 394 HZ3 TRP 51 HZ3 TRP 51 2.239 -10.774 -1.541 395 HH2 TRP 51 HH2 TRP 51 3.801 -9.567 -0.109 396 H ASP 52 HN ASP 52 -5.250 -10.433 0.287 397 HA ASP 52 HA ASP 52 -6.555 -9.783 -2.109 398 HB2 ASP 52 HB2 ASP 52 -6.342 -12.085 -1.378 399 HB3 ASP 52 HB1 ASP 52 -7.366 -11.768 0.018 400 HA PRO 53 HA PRO 53 -10.559 -8.701 0.505 401 HB2 PRO 53 HB2 PRO 53 -9.899 -7.749 3.048 402 HB3 PRO 53 HB1 PRO 53 -10.609 -9.333 2.692 403 HG2 PRO 53 HG2 PRO 53 -7.784 -8.605 3.221 404 HG3 PRO 53 HG1 PRO 53 -8.686 -10.063 3.682 405 HD2 PRO 53 HD2 PRO 53 -6.928 -10.091 1.665 406 HD3 PRO 53 HD1 PRO 53 -8.425 -11.043 1.606 407 H ILE 54 HN ILE 54 -7.531 -6.998 1.350 408 HA ILE 54 HA ILE 54 -8.634 -4.406 1.416 409 HB ILE 54 HB ILE 54 -5.805 -5.237 0.725 410 HG12 ILE 54 HG12 ILE 54 -6.928 -4.243 3.355 411 HG13 ILE 54 HG11 ILE 54 -6.671 -5.943 2.974 412 HG21 ILE 54 HG21 ILE 54 -6.226 -2.991 -0.056 413 HG22 ILE 54 HG22 ILE 54 -5.207 -2.934 1.382 414 HG23 ILE 54 HG23 ILE 54 -6.921 -2.545 1.502 415 HD11 ILE 54 HD11 ILE 54 -4.275 -5.477 2.663 416 HD12 ILE 54 HD12 ILE 54 -4.842 -5.124 4.294 417 HD13 ILE 54 HD13 ILE 54 -4.561 -3.807 3.154 418 H THR 55 HN THR 55 -6.976 -6.159 -1.199 419 HA THR 55 HA THR 55 -7.189 -4.147 -3.142 420 HB THR 55 HB THR 55 -7.180 -7.132 -3.647 421 HG1 THR 55 HG1 THR 55 -5.380 -6.739 -2.427 422 HG21 THR 55 HG21 THR 55 -6.100 -6.523 -5.759 423 HG22 THR 55 HG22 THR 55 -6.236 -4.814 -5.344 424 HG23 THR 55 HG23 THR 55 -7.691 -5.773 -5.622 425 H ALA 56 HN ALA 56 -9.334 -6.866 -2.343 426 HA ALA 56 HA ALA 56 -11.208 -6.483 -4.394 427 HB1 ALA 56 HB1 ALA 56 -11.721 -7.566 -1.626 428 HB2 ALA 56 HB2 ALA 56 -11.067 -8.493 -2.976 429 HB3 ALA 56 HB3 ALA 56 -12.702 -7.840 -3.065 430 H ALA 57 HN ALA 57 -11.120 -5.219 -1.080 431 HA ALA 57 HA ALA 57 -13.566 -3.848 -1.148 432 HB1 ALA 57 HB1 ALA 57 -11.085 -3.190 0.439 433 HB2 ALA 57 HB2 ALA 57 -12.361 -4.304 0.925 434 HB3 ALA 57 HB3 ALA 57 -12.709 -2.582 0.764 435 H LEU 58 HN LEU 58 -10.261 -2.679 -1.782 436 HA LEU 58 HA LEU 58 -11.002 -0.029 -2.388 437 HB2 LEU 58 HB2 LEU 58 -8.583 -1.608 -3.264 438 HB3 LEU 58 HB1 LEU 58 -8.766 0.125 -3.465 439 HG LEU 58 HG LEU 58 -8.631 -1.350 -0.831 440 HD11 LEU 58 HD11 LEU 58 -6.688 0.571 -2.095 441 HD12 LEU 58 HD12 LEU 58 -6.506 -1.181 -2.077 442 HD13 LEU 58 HD13 LEU 58 -6.496 -0.279 -0.561 443 HD21 LEU 58 HD21 LEU 58 -8.557 0.913 0.152 444 HD22 LEU 58 HD22 LEU 58 -10.097 0.565 -0.628 445 HD23 LEU 58 HD23 LEU 58 -8.913 1.595 -1.434 446 H SER 59 HN SER 59 -10.548 -2.873 -4.447 447 HA SER 59 HA SER 59 -10.877 -1.581 -6.923 448 HB2 SER 59 HB2 SER 59 -9.998 -3.878 -6.714 449 HB3 SER 59 HB1 SER 59 -11.581 -4.433 -6.176 450 HG SER 59 HG SER 59 -11.152 -3.164 -8.679 451 H GLN 60 HN GLN 60 -13.235 -3.230 -4.835 452 HA GLN 60 HA GLN 60 -15.488 -2.817 -6.457 453 HB2 GLN 60 HB2 GLN 60 -15.397 -4.391 -4.551 454 HB3 GLN 60 HB1 GLN 60 -15.356 -3.024 -3.447 455 HG2 GLN 60 HG2 GLN 60 -17.562 -2.315 -4.373 456 HG3 GLN 60 HG1 GLN 60 -17.604 -3.830 -5.270 457 HE21 GLN 60 HE21 GLN 60 -16.270 -3.471 -2.055 458 HE22 GLN 60 HE22 GLN 60 -17.478 -4.401 -1.245 459 H ARG 61 HN ARG 61 -14.252 -0.926 -3.711 460 HA ARG 61 HA ARG 61 -16.233 1.051 -3.726 461 HB2 ARG 61 HB2 ARG 61 -15.059 1.334 -1.827 462 HB3 ARG 61 HB1 ARG 61 -13.598 0.653 -2.519 463 HG2 ARG 61 HG2 ARG 61 -14.252 3.337 -3.499 464 HG3 ARG 61 HG1 ARG 61 -13.917 3.245 -1.769 465 HD2 ARG 61 HD2 ARG 61 -11.767 2.328 -2.140 466 HD3 ARG 61 HD1 ARG 61 -12.121 2.002 -3.837 467 HE ARG 61 HE ARG 61 -11.868 4.291 -4.313 468 HH11 ARG 61 HH11 ARG 61 -11.217 3.549 -0.941 469 HH12 ARG 61 HH12 ARG 61 -10.380 5.043 -0.656 470 HH21 ARG 61 HH21 ARG 61 -10.764 6.250 -3.914 471 HH22 ARG 61 HH22 ARG 61 -10.121 6.567 -2.327 472 H ALA 62 HN ALA 62 -13.229 0.780 -5.561 473 HA ALA 62 HA ALA 62 -13.239 3.400 -6.611 474 HB1 ALA 62 HB1 ALA 62 -12.030 0.941 -7.858 475 HB2 ALA 62 HB2 ALA 62 -11.272 1.899 -6.586 476 HB3 ALA 62 HB3 ALA 62 -11.586 2.618 -8.167 477 H MET 63 HN MET 63 -14.511 0.340 -7.902 478 HA MET 63 HA MET 63 -15.400 1.539 -10.340 479 HB2 MET 63 HB2 MET 63 -16.306 -0.581 -10.897 480 HB3 MET 63 HB1 MET 63 -14.813 -0.895 -10.025 481 HG2 MET 63 HG2 MET 63 -16.129 -1.312 -7.985 482 HG3 MET 63 HG1 MET 63 -17.605 -1.080 -8.918 483 HE1 MET 63 HE1 MET 63 -14.275 -3.006 -10.135 484 HE2 MET 63 HE2 MET 63 -14.635 -4.571 -9.406 485 HE3 MET 63 HE3 MET 63 -14.414 -3.152 -8.384 486 H ILE 64 HN ILE 64 -16.671 1.600 -7.205 487 HA ILE 64 HA ILE 64 -19.417 1.956 -8.172 488 HB ILE 64 HB ILE 64 -18.333 1.625 -5.374 489 HG12 ILE 64 HG12 ILE 64 -20.179 -0.079 -7.071 490 HG13 ILE 64 HG11 ILE 64 -18.491 -0.428 -6.716 491 HG21 ILE 64 HG21 ILE 64 -20.654 1.706 -4.598 492 HG22 ILE 64 HG22 ILE 64 -21.191 2.104 -6.230 493 HG23 ILE 64 HG23 ILE 64 -20.173 3.233 -5.334 494 HD11 ILE 64 HD11 ILE 64 -20.767 -0.355 -4.751 495 HD12 ILE 64 HD12 ILE 64 -19.072 -0.594 -4.324 496 HD13 ILE 64 HD13 ILE 64 -19.903 -1.779 -5.329 497 H LEU 65 HN LEU 65 -16.995 3.656 -6.177 498 HA LEU 65 HA LEU 65 -18.618 6.052 -6.162 499 HB2 LEU 65 HB2 LEU 65 -15.990 5.292 -4.963 500 HB3 LEU 65 HB1 LEU 65 -16.440 6.983 -5.068 501 HG LEU 65 HG LEU 65 -18.675 5.982 -3.931 502 HD11 LEU 65 HD11 LEU 65 -16.400 4.276 -2.925 503 HD12 LEU 65 HD12 LEU 65 -17.837 3.715 -3.780 504 HD13 LEU 65 HD13 LEU 65 -17.987 4.408 -2.165 505 HD21 LEU 65 HD21 LEU 65 -16.152 6.823 -2.517 506 HD22 LEU 65 HD22 LEU 65 -17.766 6.800 -1.809 507 HD23 LEU 65 HD23 LEU 65 -17.406 7.892 -3.145 508 H GLY 66 HN GLY 66 -15.919 4.799 -7.960 509 HA2 GLY 66 HA2 GLY 66 -15.237 5.573 -10.054 510 HA3 GLY 66 HA1 GLY 66 -16.135 7.057 -9.783 511 H LYS 67 HN LYS 67 -13.908 5.817 -7.414 512 HA LYS 67 HA LYS 67 -11.860 7.739 -8.237 513 HB2 LYS 67 HB2 LYS 67 -11.575 8.358 -5.791 514 HB3 LYS 67 HB1 LYS 67 -12.993 9.003 -6.597 515 HG2 LYS 67 HG2 LYS 67 -14.413 7.407 -5.527 516 HG3 LYS 67 HG1 LYS 67 -13.023 6.545 -4.865 517 HD2 LYS 67 HD2 LYS 67 -14.126 7.987 -3.191 518 HD3 LYS 67 HD1 LYS 67 -12.450 8.451 -3.486 519 HE2 LYS 67 HE2 LYS 67 -13.280 10.194 -5.057 520 HE3 LYS 67 HE1 LYS 67 -14.926 9.791 -4.572 521 HZ1 LYS 67 HZ1 LYS 67 -13.903 11.730 -3.411 522 HZ2 LYS 67 HZ2 LYS 67 -12.840 10.659 -2.651 523 HZ3 LYS 67 HZ3 LYS 67 -14.503 10.531 -2.386 524 H SER 68 HN SER 68 -10.012 6.727 -8.417 525 HA SER 68 HA SER 68 -9.490 4.400 -6.697 526 HB2 SER 68 HB2 SER 68 -7.948 4.253 -9.092 527 HB3 SER 68 HB1 SER 68 -9.229 3.169 -8.547 528 HG SER 68 HG SER 68 -10.046 3.930 -10.387 529 H GLY 69 HN GLY 69 -8.750 7.234 -6.274 530 HA2 GLY 69 HA2 GLY 69 -6.066 7.734 -6.898 531 HA3 GLY 69 HA1 GLY 69 -6.932 8.429 -5.537 532 H GLU 70 HN GLU 70 -7.427 6.381 -3.902 533 HA GLU 70 HA GLU 70 -4.878 5.819 -2.781 534 HB2 GLU 70 HB2 GLU 70 -7.642 4.821 -2.073 535 HB3 GLU 70 HB1 GLU 70 -6.204 4.441 -1.137 536 HG2 GLU 70 HG2 GLU 70 -7.005 6.214 0.046 537 HG3 GLU 70 HG1 GLU 70 -5.935 7.050 -1.077 538 H LEU 71 HN LEU 71 -6.946 4.173 -4.990 539 HA LEU 71 HA LEU 71 -6.015 1.524 -4.579 540 HB2 LEU 71 HB2 LEU 71 -7.941 2.754 -6.168 541 HB3 LEU 71 HB1 LEU 71 -6.787 2.116 -7.321 542 HG LEU 71 HG LEU 71 -8.518 0.626 -5.375 543 HD11 LEU 71 HD11 LEU 71 -9.029 -0.684 -7.405 544 HD12 LEU 71 HD12 LEU 71 -7.987 0.395 -8.331 545 HD13 LEU 71 HD13 LEU 71 -9.442 1.023 -7.557 546 HD21 LEU 71 HD21 LEU 71 -7.239 -1.434 -6.145 547 HD22 LEU 71 HD22 LEU 71 -6.457 -0.414 -4.939 548 HD23 LEU 71 HD23 LEU 71 -5.956 -0.322 -6.628 549 H LYS 72 HN LYS 72 -4.973 4.206 -6.605 550 HA LYS 72 HA LYS 72 -3.110 2.858 -8.204 551 HB2 LYS 72 HB2 LYS 72 -3.264 5.705 -7.235 552 HB3 LYS 72 HB1 LYS 72 -1.965 5.153 -8.284 553 HG2 LYS 72 HG2 LYS 72 -4.041 4.279 -9.706 554 HG3 LYS 72 HG1 LYS 72 -4.816 5.631 -8.879 555 HD2 LYS 72 HD2 LYS 72 -2.309 5.748 -10.552 556 HD3 LYS 72 HD1 LYS 72 -3.897 6.375 -10.996 557 HE2 LYS 72 HE2 LYS 72 -3.772 8.124 -9.475 558 HE3 LYS 72 HE1 LYS 72 -2.548 7.314 -8.497 559 HZ1 LYS 72 HZ1 LYS 72 -2.109 8.426 -11.214 560 HZ2 LYS 72 HZ2 LYS 72 -0.940 7.677 -10.246 561 HZ3 LYS 72 HZ3 LYS 72 -1.620 9.147 -9.766 562 H THR 73 HN THR 73 -2.688 4.564 -5.127 563 HA THR 73 HA THR 73 0.053 4.050 -4.828 564 HB THR 73 HB THR 73 -1.964 4.392 -2.602 565 HG1 THR 73 HG1 THR 73 -0.711 6.251 -4.347 566 HG21 THR 73 HG21 THR 73 0.995 4.990 -2.770 567 HG22 THR 73 HG22 THR 73 0.237 3.721 -1.808 568 HG23 THR 73 HG23 THR 73 -0.049 5.418 -1.417 569 H TRP 74 HN TRP 74 -2.803 2.248 -3.765 570 HA TRP 74 HA TRP 74 -1.490 0.270 -2.281 571 HB2 TRP 74 HB2 TRP 74 -3.882 0.499 -2.098 572 HB3 TRP 74 HB1 TRP 74 -4.097 0.169 -3.813 573 HD1 TRP 74 HD1 TRP 74 -4.821 -2.227 -4.329 574 HE1 TRP 74 HE1 TRP 74 -4.654 -4.511 -3.147 575 HE3 TRP 74 HE3 TRP 74 -2.108 -0.820 -0.229 576 HZ2 TRP 74 HZ2 TRP 74 -3.531 -5.567 -0.786 577 HZ3 TRP 74 HZ3 TRP 74 -1.538 -2.527 1.446 578 HH2 TRP 74 HH2 TRP 74 -2.233 -4.847 1.174 579 H GLY 75 HN GLY 75 -2.507 0.277 -5.693 580 HA2 GLY 75 HA2 GLY 75 -1.592 -2.266 -6.374 581 HA3 GLY 75 HA1 GLY 75 -1.747 -0.924 -7.498 582 H LEU 76 HN LEU 76 0.202 0.746 -6.115 583 HA LEU 76 HA LEU 76 2.559 -0.246 -7.390 584 HB2 LEU 76 HB2 LEU 76 2.227 2.074 -5.484 585 HB3 LEU 76 HB1 LEU 76 3.633 1.767 -6.487 586 HG LEU 76 HG LEU 76 0.888 2.267 -7.628 587 HD11 LEU 76 HD11 LEU 76 1.533 4.221 -6.360 588 HD12 LEU 76 HD12 LEU 76 1.679 4.552 -8.087 589 HD13 LEU 76 HD13 LEU 76 3.122 4.226 -7.124 590 HD21 LEU 76 HD21 LEU 76 2.379 1.126 -9.140 591 HD22 LEU 76 HD22 LEU 76 3.662 2.291 -8.811 592 HD23 LEU 76 HD23 LEU 76 2.202 2.803 -9.657 593 H VAL 77 HN VAL 77 1.616 0.270 -4.006 594 HA VAL 77 HA VAL 77 4.014 -0.729 -2.885 595 HB VAL 77 HB VAL 77 1.250 -0.523 -1.674 596 HG11 VAL 77 HG11 VAL 77 3.922 -1.055 -0.382 597 HG12 VAL 77 HG12 VAL 77 2.494 -2.092 -0.372 598 HG13 VAL 77 HG13 VAL 77 2.479 -0.561 0.503 599 HG21 VAL 77 HG21 VAL 77 2.125 1.519 -0.625 600 HG22 VAL 77 HG22 VAL 77 2.134 1.624 -2.385 601 HG23 VAL 77 HG23 VAL 77 3.636 1.316 -1.514 602 H LEU 78 HN LEU 78 0.874 -2.222 -3.534 603 HA LEU 78 HA LEU 78 1.330 -4.721 -2.383 604 HB2 LEU 78 HB2 LEU 78 -0.866 -4.002 -3.103 605 HB3 LEU 78 HB1 LEU 78 -0.345 -3.957 -4.776 606 HG LEU 78 HG LEU 78 0.016 -6.444 -4.641 607 HD11 LEU 78 HD11 LEU 78 -1.507 -6.156 -2.057 608 HD12 LEU 78 HD12 LEU 78 0.201 -6.576 -2.191 609 HD13 LEU 78 HD13 LEU 78 -1.030 -7.664 -2.835 610 HD21 LEU 78 HD21 LEU 78 -2.376 -6.973 -4.816 611 HD22 LEU 78 HD22 LEU 78 -1.963 -5.495 -5.686 612 HD23 LEU 78 HD23 LEU 78 -2.767 -5.402 -4.120 613 H GLY 79 HN GLY 79 1.934 -3.634 -5.711 614 HA2 GLY 79 HA2 GLY 79 2.840 -6.071 -6.751 615 HA3 GLY 79 HA1 GLY 79 3.283 -4.482 -7.359 616 H ALA 80 HN ALA 80 4.606 -3.503 -5.078 617 HA ALA 80 HA ALA 80 7.185 -4.632 -5.456 618 HB1 ALA 80 HB1 ALA 80 6.361 -2.761 -3.247 619 HB2 ALA 80 HB2 ALA 80 6.682 -2.229 -4.898 620 HB3 ALA 80 HB3 ALA 80 7.967 -2.971 -3.945 621 H LEU 81 HN LEU 81 4.852 -4.732 -2.798 622 HA LEU 81 HA LEU 81 6.438 -6.216 -1.003 623 HB2 LEU 81 HB2 LEU 81 3.472 -5.840 -1.282 624 HB3 LEU 81 HB1 LEU 81 4.155 -6.859 -0.030 625 HG LEU 81 HG LEU 81 4.776 -3.920 -0.358 626 HD11 LEU 81 HD11 LEU 81 2.926 -5.301 1.586 627 HD12 LEU 81 HD12 LEU 81 2.430 -4.277 0.239 628 HD13 LEU 81 HD13 LEU 81 3.337 -3.586 1.584 629 HD21 LEU 81 HD21 LEU 81 5.438 -5.921 1.799 630 HD22 LEU 81 HD22 LEU 81 5.671 -4.178 1.944 631 HD23 LEU 81 HD23 LEU 81 6.570 -5.091 0.733 632 H LYS 82 HN LYS 82 4.179 -7.181 -3.527 633 HA LYS 82 HA LYS 82 4.034 -9.907 -2.951 634 HB2 LYS 82 HB2 LYS 82 3.693 -8.300 -5.452 635 HB3 LYS 82 HB1 LYS 82 3.680 -10.056 -5.540 636 HG2 LYS 82 HG2 LYS 82 1.842 -10.079 -3.882 637 HG3 LYS 82 HG1 LYS 82 1.817 -8.314 -3.944 638 HD2 LYS 82 HD2 LYS 82 1.210 -8.336 -6.260 639 HD3 LYS 82 HD1 LYS 82 1.450 -10.079 -6.356 640 HE2 LYS 82 HE2 LYS 82 -0.387 -10.395 -4.746 641 HE3 LYS 82 HE1 LYS 82 -0.653 -8.654 -4.737 642 HZ1 LYS 82 HZ1 LYS 82 -1.142 -8.757 -7.100 643 HZ2 LYS 82 HZ2 LYS 82 -2.187 -9.755 -6.225 644 HZ3 LYS 82 HZ3 LYS 82 -0.910 -10.430 -7.102 645 H ALA 83 HN ALA 83 6.237 -8.181 -5.143 646 HA ALA 83 HA ALA 83 7.727 -10.399 -5.975 647 HB1 ALA 83 HB1 ALA 83 8.632 -7.535 -5.693 648 HB2 ALA 83 HB2 ALA 83 7.817 -8.226 -7.092 649 HB3 ALA 83 HB3 ALA 83 9.432 -8.781 -6.654 650 H ALA 84 HN ALA 84 8.149 -8.214 -3.224 651 HA ALA 84 HA ALA 84 10.614 -9.250 -2.337 652 HB1 ALA 84 HB1 ALA 84 8.456 -7.936 -0.694 653 HB2 ALA 84 HB2 ALA 84 9.688 -7.085 -1.625 654 HB3 ALA 84 HB3 ALA 84 10.158 -8.097 -0.259 655 H ARG 85 HN ARG 85 7.340 -10.370 -1.950 656 HA ARG 85 HA ARG 85 8.084 -12.242 0.151 657 HB2 ARG 85 HB2 ARG 85 5.494 -11.498 -1.167 658 HB3 ARG 85 HB1 ARG 85 5.616 -12.964 -0.207 659 HG2 ARG 85 HG2 ARG 85 6.262 -10.202 0.805 660 HG3 ARG 85 HG1 ARG 85 4.720 -11.030 1.041 661 HD2 ARG 85 HD2 ARG 85 6.144 -12.920 2.063 662 HD3 ARG 85 HD1 ARG 85 7.418 -11.704 2.167 663 HE ARG 85 HE ARG 85 4.873 -10.935 3.314 664 HH11 ARG 85 HH11 ARG 85 7.988 -12.024 5.603 665 HH12 ARG 85 HH12 ARG 85 8.028 -12.351 3.901 666 HH21 ARG 85 HH21 ARG 85 6.178 -10.981 6.541 667 HH22 ARG 85 HH22 ARG 85 4.824 -10.519 5.553 668 H GLU 86 HN GLU 86 8.333 -12.176 -3.147 669 HA GLU 86 HA GLU 86 7.785 -15.031 -3.467 670 HB2 GLU 86 HB2 GLU 86 8.376 -12.865 -5.485 671 HB3 GLU 86 HB1 GLU 86 8.250 -14.568 -5.903 672 HG2 GLU 86 HG2 GLU 86 5.938 -14.339 -4.651 673 HG3 GLU 86 HG1 GLU 86 6.137 -12.646 -5.099 674 H GLU 87 HN GLU 87 10.338 -12.824 -3.033 675 HA GLU 87 HA GLU 87 12.416 -14.413 -4.174 676 HB2 GLU 87 HB2 GLU 87 12.430 -12.071 -2.272 677 HB3 GLU 87 HB1 GLU 87 13.902 -12.856 -2.825 678 HG2 GLU 87 HG2 GLU 87 12.017 -11.994 -4.925 679 HG3 GLU 87 HG1 GLU 87 12.817 -10.712 -4.016 680 H1 FGV 101 H1 IP3 1 12.884 11.136 -1.291 681 H2 FGV 101 H2 IP3 1 13.941 9.645 0.359 682 H3 FGV 101 H3 IP3 1 12.708 11.613 1.201 683 H4 FGV 101 H4 IP3 1 10.290 9.746 1.410 684 H5 FGV 101 H5 IP3 1 10.755 12.197 -0.348 685 H6 FGV 101 H6 IP3 1 10.476 9.249 -1.113 686 H11 FGV 101 H11 IP3 1 15.759 9.158 -4.504 687 H12 FGV 101 H12 IP3 1 12.498 7.961 -0.381 688 H14 FGV 101 H14 IP3 1 9.739 12.287 1.638 689 H16 FGV 101 H16 IP3 1 10.102 11.572 -2.386 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 1.325 5.044 9.716 2 H2 SER 1 HT2 SER 1 2.759 5.064 8.828 3 H3 SER 1 HT3 SER 1 1.833 6.473 8.970 4 HA SER 1 HA SER 1 2.241 6.541 11.329 5 HB2 SER 1 HB2 SER 1 4.132 4.949 12.107 6 HB3 SER 1 HB1 SER 1 2.506 4.291 11.940 7 HG SER 1 HG SER 1 4.182 2.991 10.986 8 H GLU 2 HN GLU 2 5.408 5.435 10.842 9 HA GLU 2 HA GLU 2 6.241 7.945 9.566 10 HB2 GLU 2 HB2 GLU 2 7.337 6.846 12.158 11 HB3 GLU 2 HB1 GLU 2 8.090 8.139 11.241 12 HG2 GLU 2 HG2 GLU 2 6.289 9.607 11.651 13 HG3 GLU 2 HG1 GLU 2 5.277 8.302 12.268 14 H ALA 3 HN ALA 3 8.214 5.536 11.207 15 HA ALA 3 HA ALA 3 10.063 5.319 9.110 16 HB1 ALA 3 HB1 ALA 3 11.122 3.624 10.392 17 HB2 ALA 3 HB2 ALA 3 9.639 3.284 11.280 18 HB3 ALA 3 HB3 ALA 3 10.482 4.815 11.525 19 H VAL 4 HN VAL 4 7.222 3.376 9.899 20 HA VAL 4 HA VAL 4 7.723 1.176 8.257 21 HB VAL 4 HB VAL 4 5.021 2.409 8.838 22 HG11 VAL 4 HG11 VAL 4 5.759 -0.385 7.974 23 HG12 VAL 4 HG12 VAL 4 4.961 0.823 6.971 24 HG13 VAL 4 HG13 VAL 4 4.138 0.169 8.388 25 HG21 VAL 4 HG21 VAL 4 6.197 1.903 10.893 26 HG22 VAL 4 HG22 VAL 4 6.599 0.291 10.298 27 HG23 VAL 4 HG23 VAL 4 4.922 0.711 10.642 28 H ILE 5 HN ILE 5 6.434 4.353 7.472 29 HA ILE 5 HA ILE 5 5.666 3.745 4.811 30 HB ILE 5 HB ILE 5 6.522 6.465 5.795 31 HG12 ILE 5 HG12 ILE 5 3.769 5.222 6.027 32 HG13 ILE 5 HG11 ILE 5 4.889 5.424 7.371 33 HG21 ILE 5 HG21 ILE 5 4.512 5.620 3.715 34 HG22 ILE 5 HG22 ILE 5 6.143 6.193 3.376 35 HG23 ILE 5 HG23 ILE 5 4.960 7.274 4.118 36 HD11 ILE 5 HD11 ILE 5 3.144 7.160 7.276 37 HD12 ILE 5 HD12 ILE 5 3.779 7.676 5.713 38 HD13 ILE 5 HD13 ILE 5 4.776 7.819 7.161 39 H LYS 6 HN LYS 6 8.591 4.974 6.319 40 HA LYS 6 HA LYS 6 10.048 5.506 3.964 41 HB2 LYS 6 HB2 LYS 6 10.778 5.041 6.834 42 HB3 LYS 6 HB1 LYS 6 12.045 5.103 5.618 43 HG2 LYS 6 HG2 LYS 6 10.020 7.291 6.014 44 HG3 LYS 6 HG1 LYS 6 11.596 7.256 6.805 45 HD2 LYS 6 HD2 LYS 6 11.112 7.261 3.826 46 HD3 LYS 6 HD1 LYS 6 11.630 8.644 4.786 47 HE2 LYS 6 HE2 LYS 6 13.646 7.302 5.450 48 HE3 LYS 6 HE1 LYS 6 13.148 6.091 4.267 49 HZ1 LYS 6 HZ1 LYS 6 14.177 8.803 3.830 50 HZ2 LYS 6 HZ2 LYS 6 13.120 8.140 2.690 51 HZ3 LYS 6 HZ3 LYS 6 14.578 7.362 3.042 52 H VAL 7 HN VAL 7 9.817 2.654 6.040 53 HA VAL 7 HA VAL 7 11.762 1.063 4.814 54 HB VAL 7 HB VAL 7 9.169 0.179 6.115 55 HG11 VAL 7 HG11 VAL 7 10.343 -1.961 6.486 56 HG12 VAL 7 HG12 VAL 7 11.674 -1.378 5.484 57 HG13 VAL 7 HG13 VAL 7 10.076 -1.614 4.778 58 HG21 VAL 7 HG21 VAL 7 10.621 1.540 7.571 59 HG22 VAL 7 HG22 VAL 7 11.945 0.413 7.277 60 HG23 VAL 7 HG23 VAL 7 10.497 -0.132 8.120 61 H ILE 8 HN ILE 8 8.293 1.366 4.121 62 HA ILE 8 HA ILE 8 8.305 -0.491 1.970 63 HB ILE 8 HB ILE 8 6.342 1.687 2.701 64 HG12 ILE 8 HG12 ILE 8 6.470 -0.085 4.350 65 HG13 ILE 8 HG11 ILE 8 4.963 -0.241 3.457 66 HG21 ILE 8 HG21 ILE 8 6.159 1.248 0.321 67 HG22 ILE 8 HG22 ILE 8 4.764 0.590 1.173 68 HG23 ILE 8 HG23 ILE 8 6.052 -0.485 0.628 69 HD11 ILE 8 HD11 ILE 8 6.118 -1.973 2.041 70 HD12 ILE 8 HD12 ILE 8 5.820 -2.419 3.722 71 HD13 ILE 8 HD13 ILE 8 7.435 -1.926 3.214 72 H SER 9 HN SER 9 8.702 3.009 2.178 73 HA SER 9 HA SER 9 8.547 3.652 -0.525 74 HB2 SER 9 HB2 SER 9 8.598 5.405 1.131 75 HB3 SER 9 HB1 SER 9 10.188 4.896 1.695 76 HG SER 9 HG SER 9 11.066 5.567 -0.267 77 H SER 10 HN SER 10 11.497 2.983 1.379 78 HA SER 10 HA SER 10 13.293 3.047 -0.757 79 HB2 SER 10 HB2 SER 10 13.598 1.286 1.679 80 HB3 SER 10 HB1 SER 10 14.867 2.074 0.740 81 HG SER 10 HG SER 10 13.598 4.089 1.436 82 H ALA 11 HN ALA 11 11.134 0.528 0.299 83 HA ALA 11 HA ALA 11 12.393 -1.600 -1.103 84 HB1 ALA 11 HB1 ALA 11 10.855 -1.947 0.788 85 HB2 ALA 11 HB2 ALA 11 10.381 -2.857 -0.645 86 HB3 ALA 11 HB3 ALA 11 9.522 -1.377 -0.215 87 H CYS 12 HN CYS 12 9.445 0.317 -1.812 88 HA CYS 12 HA CYS 12 9.046 -0.844 -4.345 89 HB2 CYS 12 HB2 CYS 12 7.525 1.071 -4.775 90 HB3 CYS 12 HB1 CYS 12 7.215 0.257 -3.248 91 HG CYS 12 HG CYS 12 9.218 2.559 -2.367 92 H LYS 13 HN LYS 13 11.172 1.689 -3.315 93 HA LYS 13 HA LYS 13 11.562 2.900 -5.856 94 HB2 LYS 13 HB2 LYS 13 13.369 2.794 -3.434 95 HB3 LYS 13 HB1 LYS 13 13.660 3.797 -4.846 96 HG2 LYS 13 HG2 LYS 13 11.094 4.038 -3.344 97 HG3 LYS 13 HG1 LYS 13 12.555 4.816 -2.737 98 HD2 LYS 13 HD2 LYS 13 12.790 6.034 -4.834 99 HD3 LYS 13 HD1 LYS 13 11.354 5.234 -5.474 100 HE2 LYS 13 HE2 LYS 13 9.941 6.302 -3.915 101 HE3 LYS 13 HE1 LYS 13 11.302 6.855 -2.945 102 HZ1 LYS 13 HZ1 LYS 13 10.340 7.880 -5.531 103 HZ2 LYS 13 HZ2 LYS 13 11.947 8.123 -5.065 104 HZ3 LYS 13 HZ3 LYS 13 10.692 8.727 -4.111 105 H THR 14 HN THR 14 12.676 -0.012 -4.417 106 HA THR 14 HA THR 14 14.874 -0.311 -6.308 107 HB THR 14 HB THR 14 14.000 -2.298 -4.209 108 HG1 THR 14 HG1 THR 14 14.482 -0.651 -2.909 109 HG21 THR 14 HG21 THR 14 16.671 -1.764 -5.528 110 HG22 THR 14 HG22 THR 14 15.596 -3.112 -5.891 111 HG23 THR 14 HG23 THR 14 16.354 -2.995 -4.302 112 H TYR 15 HN TYR 15 11.597 -1.310 -5.889 113 HA TYR 15 HA TYR 15 11.903 -3.462 -7.853 114 HB2 TYR 15 HB2 TYR 15 9.570 -2.720 -6.078 115 HB3 TYR 15 HB1 TYR 15 9.536 -4.019 -7.266 116 HD1 TYR 15 HD1 TYR 15 10.159 -3.224 -3.897 117 HD2 TYR 15 HD2 TYR 15 11.457 -5.796 -7.025 118 HE1 TYR 15 HE1 TYR 15 11.122 -4.758 -2.230 119 HE2 TYR 15 HE2 TYR 15 12.418 -7.338 -5.365 120 HH TYR 15 HH TYR 15 11.868 -6.941 -1.952 121 H CYS 16 HN CYS 16 9.703 -0.712 -7.263 122 HA CYS 16 HA CYS 16 8.822 -0.760 -10.019 123 HB2 CYS 16 HB2 CYS 16 8.159 1.418 -8.066 124 HB3 CYS 16 HB1 CYS 16 7.165 0.754 -9.360 125 HG CYS 16 HG CYS 16 6.045 -1.179 -8.011 126 H GLY 17 HN GLY 17 11.329 0.674 -8.255 127 HA2 GLY 17 HA2 GLY 17 13.035 2.045 -8.978 128 HA3 GLY 17 HA1 GLY 17 12.259 2.108 -10.553 129 H LYS 18 HN LYS 18 11.886 4.141 -11.106 130 HA LYS 18 HA LYS 18 11.393 6.157 -9.064 131 HB2 LYS 18 HB2 LYS 18 11.551 7.764 -10.923 132 HB3 LYS 18 HB1 LYS 18 12.944 6.698 -10.860 133 HG2 LYS 18 HG2 LYS 18 11.413 5.325 -12.581 134 HG3 LYS 18 HG1 LYS 18 10.858 6.961 -12.922 135 HD2 LYS 18 HD2 LYS 18 13.753 6.126 -12.889 136 HD3 LYS 18 HD1 LYS 18 12.762 6.214 -14.349 137 HE2 LYS 18 HE2 LYS 18 12.385 8.599 -13.943 138 HE3 LYS 18 HE1 LYS 18 13.377 8.512 -12.487 139 HZ1 LYS 18 HZ1 LYS 18 15.291 8.049 -13.781 140 HZ2 LYS 18 HZ2 LYS 18 14.526 9.371 -14.505 141 HZ3 LYS 18 HZ3 LYS 18 14.385 7.833 -15.192 142 H THR 19 HN THR 19 9.557 4.016 -10.770 143 HA THR 19 HA THR 19 7.254 5.757 -11.146 144 HB THR 19 HB THR 19 6.965 2.818 -11.440 145 HG1 THR 19 HG1 THR 19 8.050 3.244 -13.635 146 HG21 THR 19 HG21 THR 19 5.244 4.559 -12.075 147 HG22 THR 19 HG22 THR 19 5.666 3.415 -13.349 148 HG23 THR 19 HG23 THR 19 6.334 5.048 -13.372 149 H SER 20 HN SER 20 8.547 4.834 -8.507 150 HA SER 20 HA SER 20 6.488 3.335 -7.176 151 HB2 SER 20 HB2 SER 20 7.975 4.046 -5.146 152 HB3 SER 20 HB1 SER 20 8.625 2.908 -6.327 153 HG SER 20 HG SER 20 10.059 4.340 -6.918 154 HA PRO 21 HA PRO 21 4.149 6.802 -5.708 155 HB2 PRO 21 HB2 PRO 21 3.102 5.842 -3.413 156 HB3 PRO 21 HB1 PRO 21 2.620 5.211 -4.998 157 HG2 PRO 21 HG2 PRO 21 4.444 4.031 -2.980 158 HG3 PRO 21 HG1 PRO 21 3.286 3.241 -4.067 159 HD2 PRO 21 HD2 PRO 21 6.016 3.387 -4.500 160 HD3 PRO 21 HD1 PRO 21 4.797 3.075 -5.748 161 H SER 22 HN SER 22 4.406 8.612 -4.487 162 HA SER 22 HA SER 22 6.799 8.954 -3.013 163 HB2 SER 22 HB2 SER 22 5.003 11.060 -2.417 164 HB3 SER 22 HB1 SER 22 6.311 11.060 -3.603 165 HG SER 22 HG SER 22 3.734 11.193 -4.080 166 H LYS 23 HN LYS 23 6.954 9.669 -0.781 167 HA LYS 23 HA LYS 23 5.796 7.915 1.049 168 HB2 LYS 23 HB2 LYS 23 7.903 9.114 1.451 169 HB3 LYS 23 HB1 LYS 23 7.027 10.633 1.574 170 HG2 LYS 23 HG2 LYS 23 5.783 9.616 3.515 171 HG3 LYS 23 HG1 LYS 23 6.941 8.288 3.454 172 HD2 LYS 23 HD2 LYS 23 8.752 9.712 3.977 173 HD3 LYS 23 HD1 LYS 23 7.789 11.162 3.687 174 HE2 LYS 23 HE2 LYS 23 6.341 10.498 5.605 175 HE3 LYS 23 HE1 LYS 23 7.463 9.179 5.934 176 HZ1 LYS 23 HZ1 LYS 23 8.273 12.030 5.865 177 HZ2 LYS 23 HZ2 LYS 23 9.183 10.714 6.415 178 HZ3 LYS 23 HZ3 LYS 23 7.823 11.222 7.280 179 H LYS 24 HN LYS 24 4.836 11.139 0.043 180 HA LYS 24 HA LYS 24 2.895 11.655 2.000 181 HB2 LYS 24 HB2 LYS 24 3.053 12.558 -0.880 182 HB3 LYS 24 HB1 LYS 24 1.907 13.199 0.287 183 HG2 LYS 24 HG2 LYS 24 3.925 13.828 1.694 184 HG3 LYS 24 HG1 LYS 24 4.891 13.485 0.261 185 HD2 LYS 24 HD2 LYS 24 2.589 15.431 0.329 186 HD3 LYS 24 HD1 LYS 24 4.279 15.889 0.534 187 HE2 LYS 24 HE2 LYS 24 3.337 14.363 -1.868 188 HE3 LYS 24 HE1 LYS 24 3.247 16.121 -1.799 189 HZ1 LYS 24 HZ1 LYS 24 5.611 16.231 -1.508 190 HZ2 LYS 24 HZ2 LYS 24 5.287 15.295 -2.873 191 HZ3 LYS 24 HZ3 LYS 24 5.742 14.549 -1.427 192 H GLU 25 HN GLU 25 2.743 9.869 -1.022 193 HA GLU 25 HA GLU 25 -0.091 9.551 -1.012 194 HB2 GLU 25 HB2 GLU 25 1.994 9.080 -2.816 195 HB3 GLU 25 HB1 GLU 25 1.318 7.492 -2.478 196 HG2 GLU 25 HG2 GLU 25 -0.916 8.356 -3.045 197 HG3 GLU 25 HG1 GLU 25 -0.182 9.902 -3.464 198 H ILE 26 HN ILE 26 2.640 7.436 -0.162 199 HA ILE 26 HA ILE 26 1.148 5.168 0.529 200 HB ILE 26 HB ILE 26 3.761 6.046 1.762 201 HG12 ILE 26 HG12 ILE 26 3.267 4.311 -0.665 202 HG13 ILE 26 HG11 ILE 26 3.829 5.979 -0.713 203 HG21 ILE 26 HG21 ILE 26 2.680 4.258 3.005 204 HG22 ILE 26 HG22 ILE 26 4.106 3.649 2.165 205 HG23 ILE 26 HG23 ILE 26 2.497 3.317 1.523 206 HD11 ILE 26 HD11 ILE 26 5.683 4.477 -1.020 207 HD12 ILE 26 HD12 ILE 26 5.287 3.630 0.476 208 HD13 ILE 26 HD13 ILE 26 5.843 5.304 0.528 209 H GLY 27 HN GLY 27 2.219 7.911 2.492 210 HA2 GLY 27 HA2 GLY 27 1.307 7.020 4.979 211 HA3 GLY 27 HA1 GLY 27 1.510 8.704 4.523 212 H ALA 28 HN ALA 28 -0.376 8.937 2.513 213 HA ALA 28 HA ALA 28 -2.742 9.346 3.985 214 HB1 ALA 28 HB1 ALA 28 -2.082 10.649 1.985 215 HB2 ALA 28 HB2 ALA 28 -3.738 10.046 1.912 216 HB3 ALA 28 HB3 ALA 28 -2.468 9.246 0.986 217 H MET 29 HN MET 29 -1.799 6.827 1.694 218 HA MET 29 HA MET 29 -4.304 5.529 1.583 219 HB2 MET 29 HB2 MET 29 -2.665 5.084 -0.117 220 HB3 MET 29 HB1 MET 29 -1.500 4.539 1.075 221 HG2 MET 29 HG2 MET 29 -3.072 2.655 1.608 222 HG3 MET 29 HG1 MET 29 -4.015 3.151 0.205 223 HE1 MET 29 HE1 MET 29 0.370 1.756 -0.042 224 HE2 MET 29 HE2 MET 29 -0.440 2.332 1.415 225 HE3 MET 29 HE3 MET 29 -0.022 3.465 0.128 226 H LEU 30 HN LEU 30 -1.512 5.165 3.710 227 HA LEU 30 HA LEU 30 -2.283 2.802 5.000 228 HB2 LEU 30 HB2 LEU 30 -0.273 4.804 5.305 229 HB3 LEU 30 HB1 LEU 30 -0.962 4.459 6.880 230 HG LEU 30 HG LEU 30 -0.476 2.060 6.548 231 HD11 LEU 30 HD11 LEU 30 0.900 2.995 4.032 232 HD12 LEU 30 HD12 LEU 30 -0.562 2.012 4.110 233 HD13 LEU 30 HD13 LEU 30 0.967 1.366 4.703 234 HD21 LEU 30 HD21 LEU 30 1.109 3.519 7.721 235 HD22 LEU 30 HD22 LEU 30 1.916 3.865 6.192 236 HD23 LEU 30 HD23 LEU 30 1.935 2.230 6.848 237 H SER 31 HN SER 31 -2.982 6.191 5.815 238 HA SER 31 HA SER 31 -4.355 5.671 8.211 239 HB2 SER 31 HB2 SER 31 -5.517 7.979 7.183 240 HB3 SER 31 HB1 SER 31 -4.080 7.909 8.205 241 HG SER 31 HG SER 31 -4.290 8.255 5.429 242 H LEU 32 HN LEU 32 -5.368 5.668 4.859 243 HA LEU 32 HA LEU 32 -8.159 5.603 5.315 244 HB2 LEU 32 HB2 LEU 32 -6.366 5.388 3.060 245 HB3 LEU 32 HB1 LEU 32 -7.653 4.204 2.939 246 HG LEU 32 HG LEU 32 -8.216 6.257 1.741 247 HD11 LEU 32 HD11 LEU 32 -10.008 4.928 2.765 248 HD12 LEU 32 HD12 LEU 32 -10.408 6.645 2.704 249 HD13 LEU 32 HD13 LEU 32 -9.894 5.913 4.223 250 HD21 LEU 32 HD21 LEU 32 -7.924 7.574 4.436 251 HD22 LEU 32 HD22 LEU 32 -8.657 8.330 3.022 252 HD23 LEU 32 HD23 LEU 32 -6.955 7.874 2.993 253 H LEU 33 HN LEU 33 -5.726 3.077 4.867 254 HA LEU 33 HA LEU 33 -7.492 0.886 4.913 255 HB2 LEU 33 HB2 LEU 33 -4.608 0.976 5.803 256 HB3 LEU 33 HB1 LEU 33 -5.513 -0.468 5.393 257 HG LEU 33 HG LEU 33 -4.929 1.751 3.432 258 HD11 LEU 33 HD11 LEU 33 -3.492 -0.874 3.815 259 HD12 LEU 33 HD12 LEU 33 -2.849 0.726 4.190 260 HD13 LEU 33 HD13 LEU 33 -3.208 0.291 2.521 261 HD21 LEU 33 HD21 LEU 33 -5.926 -1.069 3.064 262 HD22 LEU 33 HD22 LEU 33 -5.535 0.062 1.768 263 HD23 LEU 33 HD23 LEU 33 -6.871 0.406 2.868 264 H GLN 34 HN GLN 34 -5.904 2.678 7.474 265 HA GLN 34 HA GLN 34 -6.604 0.848 9.557 266 HB2 GLN 34 HB2 GLN 34 -5.206 3.405 9.325 267 HB3 GLN 34 HB1 GLN 34 -6.150 3.264 10.801 268 HG2 GLN 34 HG2 GLN 34 -4.999 1.137 11.294 269 HG3 GLN 34 HG1 GLN 34 -4.005 1.371 9.857 270 HE21 GLN 34 HE21 GLN 34 -3.323 1.203 12.734 271 HE22 GLN 34 HE22 GLN 34 -2.423 2.643 13.073 272 H LYS 35 HN LYS 35 -7.934 3.975 8.494 273 HA LYS 35 HA LYS 35 -9.916 4.089 10.525 274 HB2 LYS 35 HB2 LYS 35 -10.813 5.976 9.329 275 HB3 LYS 35 HB1 LYS 35 -9.058 6.070 9.307 276 HG2 LYS 35 HG2 LYS 35 -9.042 5.199 7.022 277 HG3 LYS 35 HG1 LYS 35 -10.804 5.117 7.044 278 HD2 LYS 35 HD2 LYS 35 -9.669 7.728 7.776 279 HD3 LYS 35 HD1 LYS 35 -9.373 7.226 6.112 280 HE2 LYS 35 HE2 LYS 35 -11.472 8.575 6.505 281 HE3 LYS 35 HE1 LYS 35 -11.683 7.053 5.649 282 HZ1 LYS 35 HZ1 LYS 35 -12.101 7.293 8.572 283 HZ2 LYS 35 HZ2 LYS 35 -12.613 6.050 7.534 284 HZ3 LYS 35 HZ3 LYS 35 -13.338 7.576 7.454 285 H GLU 36 HN GLU 36 -9.859 2.587 7.364 286 HA GLU 36 HA GLU 36 -12.736 2.260 7.333 287 HB2 GLU 36 HB2 GLU 36 -10.575 1.273 5.472 288 HB3 GLU 36 HB1 GLU 36 -12.287 0.942 5.235 289 HG2 GLU 36 HG2 GLU 36 -10.854 3.572 5.100 290 HG3 GLU 36 HG1 GLU 36 -11.807 2.768 3.856 291 H GLY 37 HN GLY 37 -10.432 0.832 9.083 292 HA2 GLY 37 HA2 GLY 37 -10.463 -1.062 10.380 293 HA3 GLY 37 HA1 GLY 37 -12.074 -1.385 9.760 294 H LEU 38 HN LEU 38 -9.371 -1.004 7.598 295 HA LEU 38 HA LEU 38 -9.720 -3.752 6.718 296 HB2 LEU 38 HB2 LEU 38 -8.075 -1.460 5.644 297 HB3 LEU 38 HB1 LEU 38 -8.061 -3.065 4.939 298 HG LEU 38 HG LEU 38 -10.524 -1.336 5.179 299 HD11 LEU 38 HD11 LEU 38 -8.981 -0.286 3.663 300 HD12 LEU 38 HD12 LEU 38 -10.280 -1.044 2.742 301 HD13 LEU 38 HD13 LEU 38 -8.698 -1.816 2.834 302 HD21 LEU 38 HD21 LEU 38 -11.166 -3.619 5.099 303 HD22 LEU 38 HD22 LEU 38 -9.977 -3.982 3.848 304 HD23 LEU 38 HD23 LEU 38 -11.379 -2.980 3.470 305 H LEU 39 HN LEU 39 -7.314 -1.667 8.182 306 HA LEU 39 HA LEU 39 -5.845 -4.037 9.084 307 HB2 LEU 39 HB2 LEU 39 -4.647 -1.608 7.753 308 HB3 LEU 39 HB1 LEU 39 -3.710 -2.724 8.726 309 HG LEU 39 HG LEU 39 -5.186 -3.438 6.192 310 HD11 LEU 39 HD11 LEU 39 -2.983 -3.646 5.201 311 HD12 LEU 39 HD12 LEU 39 -2.238 -3.125 6.713 312 HD13 LEU 39 HD13 LEU 39 -3.249 -2.007 5.795 313 HD21 LEU 39 HD21 LEU 39 -5.140 -5.460 7.233 314 HD22 LEU 39 HD22 LEU 39 -3.769 -5.028 8.253 315 HD23 LEU 39 HD23 LEU 39 -3.506 -5.470 6.565 316 H MET 40 HN MET 40 -4.872 -3.780 11.111 317 HA MET 40 HA MET 40 -5.935 -1.523 12.629 318 HB2 MET 40 HB2 MET 40 -6.276 -3.837 13.461 319 HB3 MET 40 HB1 MET 40 -4.533 -4.006 13.628 320 HG2 MET 40 HG2 MET 40 -4.635 -2.000 15.171 321 HG3 MET 40 HG1 MET 40 -6.385 -2.217 15.165 322 HE1 MET 40 HE1 MET 40 -2.939 -3.610 16.543 323 HE2 MET 40 HE2 MET 40 -3.327 -4.597 15.135 324 HE3 MET 40 HE3 MET 40 -3.361 -5.311 16.747 325 H SER 41 HN SER 41 -2.854 -3.041 11.817 326 HA SER 41 HA SER 41 -1.510 -0.643 12.872 327 HB2 SER 41 HB2 SER 41 0.317 -2.832 12.759 328 HB3 SER 41 HB1 SER 41 -0.255 -1.966 14.187 329 HG SER 41 HG SER 41 -1.658 -4.106 12.925 330 HA PRO 42 HA PRO 42 0.097 -0.053 8.795 331 HB2 PRO 42 HB2 PRO 42 2.547 1.045 9.402 332 HB3 PRO 42 HB1 PRO 42 1.020 1.944 9.475 333 HG2 PRO 42 HG2 PRO 42 2.575 0.690 11.679 334 HG3 PRO 42 HG1 PRO 42 1.717 2.243 11.638 335 HD2 PRO 42 HD2 PRO 42 0.678 0.074 12.846 336 HD3 PRO 42 HD1 PRO 42 -0.335 1.280 12.025 337 H SER 43 HN SER 43 1.773 -1.929 11.154 338 HA SER 43 HA SER 43 3.772 -2.960 9.358 339 HB2 SER 43 HB2 SER 43 3.942 -4.608 11.455 340 HB3 SER 43 HB1 SER 43 4.617 -2.980 11.493 341 HG SER 43 HG SER 43 2.682 -4.019 13.015 342 H ASP 44 HN ASP 44 0.516 -3.526 9.763 343 HA ASP 44 HA ASP 44 0.508 -6.381 9.521 344 HB2 ASP 44 HB2 ASP 44 -1.622 -4.275 9.277 345 HB3 ASP 44 HB1 ASP 44 -1.953 -5.958 8.885 346 H LEU 45 HN LEU 45 1.453 -4.102 7.390 347 HA LEU 45 HA LEU 45 0.174 -4.937 4.995 348 HB2 LEU 45 HB2 LEU 45 2.257 -3.076 5.762 349 HB3 LEU 45 HB1 LEU 45 2.674 -3.922 4.285 350 HG LEU 45 HG LEU 45 1.600 -1.997 3.532 351 HD11 LEU 45 HD11 LEU 45 0.632 -4.257 2.739 352 HD12 LEU 45 HD12 LEU 45 -0.230 -2.772 2.345 353 HD13 LEU 45 HD13 LEU 45 -0.790 -3.788 3.671 354 HD21 LEU 45 HD21 LEU 45 -0.540 -1.179 4.463 355 HD22 LEU 45 HD22 LEU 45 0.777 -1.154 5.632 356 HD23 LEU 45 HD23 LEU 45 -0.446 -2.425 5.706 357 H TYR 46 HN TYR 46 2.652 -6.274 6.914 358 HA TYR 46 HA TYR 46 3.971 -7.754 4.847 359 HB2 TYR 46 HB2 TYR 46 4.007 -8.111 7.851 360 HB3 TYR 46 HB1 TYR 46 5.057 -8.960 6.723 361 HD1 TYR 46 HD1 TYR 46 5.963 -6.916 4.893 362 HD2 TYR 46 HD2 TYR 46 5.291 -6.650 9.086 363 HE1 TYR 46 HE1 TYR 46 7.599 -5.083 5.036 364 HE2 TYR 46 HE2 TYR 46 6.919 -4.819 9.236 365 HH TYR 46 HH TYR 46 8.891 -4.003 7.949 366 H SER 47 HN SER 47 0.929 -8.043 5.893 367 HA SER 47 HA SER 47 0.880 -10.963 6.065 368 HB2 SER 47 HB2 SER 47 -1.557 -9.208 6.148 369 HB3 SER 47 HB1 SER 47 -1.282 -10.761 6.936 370 HG SER 47 HG SER 47 -0.331 -8.205 7.658 371 HA PRO 48 HA PRO 48 0.152 -10.692 1.590 372 HB2 PRO 48 HB2 PRO 48 0.493 -13.363 1.126 373 HB3 PRO 48 HB1 PRO 48 1.840 -12.219 1.278 374 HG2 PRO 48 HG2 PRO 48 0.757 -14.131 3.278 375 HG3 PRO 48 HG1 PRO 48 2.441 -13.685 2.931 376 HD2 PRO 48 HD2 PRO 48 1.056 -12.692 5.043 377 HD3 PRO 48 HD1 PRO 48 2.350 -11.798 4.224 378 H GLY 49 HN GLY 49 -1.392 -12.801 3.928 379 HA2 GLY 49 HA2 GLY 49 -3.445 -13.722 2.158 380 HA3 GLY 49 HA1 GLY 49 -3.434 -13.882 3.908 381 H SER 50 HN SER 50 -3.017 -10.904 4.120 382 HA SER 50 HA SER 50 -5.835 -10.247 4.129 383 HB2 SER 50 HB2 SER 50 -3.588 -8.418 4.958 384 HB3 SER 50 HB1 SER 50 -5.259 -8.429 5.524 385 HG SER 50 HG SER 50 -4.394 -10.801 6.085 386 H TRP 51 HN TRP 51 -3.342 -9.942 1.909 387 HA TRP 51 HA TRP 51 -3.772 -7.362 0.867 388 HB2 TRP 51 HB2 TRP 51 -2.706 -9.876 -0.413 389 HB3 TRP 51 HB1 TRP 51 -2.757 -8.325 -1.240 390 HD1 TRP 51 HD1 TRP 51 -1.894 -7.010 1.857 391 HE1 TRP 51 HE1 TRP 51 0.644 -6.944 2.299 392 HE3 TRP 51 HE3 TRP 51 -0.368 -10.364 -1.691 393 HZ2 TRP 51 HZ2 TRP 51 2.982 -8.151 1.272 394 HZ3 TRP 51 HZ3 TRP 51 2.038 -10.848 -1.897 395 HH2 TRP 51 HH2 TRP 51 3.674 -9.762 -0.443 396 H ASP 52 HN ASP 52 -5.167 -10.497 -0.062 397 HA ASP 52 HA ASP 52 -6.605 -9.654 -2.279 398 HB2 ASP 52 HB2 ASP 52 -6.322 -11.993 -1.854 399 HB3 ASP 52 HB1 ASP 52 -7.186 -11.879 -0.325 400 HA PRO 53 HA PRO 53 -10.574 -8.984 0.509 401 HB2 PRO 53 HB2 PRO 53 -9.919 -8.220 3.107 402 HB3 PRO 53 HB1 PRO 53 -10.536 -9.809 2.624 403 HG2 PRO 53 HG2 PRO 53 -7.747 -8.959 3.174 404 HG3 PRO 53 HG1 PRO 53 -8.554 -10.503 3.520 405 HD2 PRO 53 HD2 PRO 53 -6.835 -10.242 1.479 406 HD3 PRO 53 HD1 PRO 53 -8.264 -11.292 1.375 407 H ILE 54 HN ILE 54 -7.578 -7.233 1.218 408 HA ILE 54 HA ILE 54 -8.862 -4.695 1.509 409 HB ILE 54 HB ILE 54 -5.967 -5.362 0.960 410 HG12 ILE 54 HG12 ILE 54 -7.314 -4.473 3.519 411 HG13 ILE 54 HG11 ILE 54 -6.922 -6.148 3.135 412 HG21 ILE 54 HG21 ILE 54 -6.524 -3.106 0.189 413 HG22 ILE 54 HG22 ILE 54 -5.467 -3.064 1.602 414 HG23 ILE 54 HG23 ILE 54 -7.188 -2.730 1.779 415 HD11 ILE 54 HD11 ILE 54 -4.543 -5.528 3.007 416 HD12 ILE 54 HD12 ILE 54 -5.250 -5.228 4.595 417 HD13 ILE 54 HD13 ILE 54 -4.971 -3.884 3.487 418 H THR 55 HN THR 55 -7.058 -6.287 -1.096 419 HA THR 55 HA THR 55 -7.201 -4.205 -2.968 420 HB THR 55 HB THR 55 -7.150 -7.166 -3.596 421 HG1 THR 55 HG1 THR 55 -5.419 -6.785 -2.258 422 HG21 THR 55 HG21 THR 55 -5.978 -6.457 -5.631 423 HG22 THR 55 HG22 THR 55 -6.148 -4.770 -5.146 424 HG23 THR 55 HG23 THR 55 -7.579 -5.723 -5.536 425 H ALA 56 HN ALA 56 -9.339 -6.987 -2.414 426 HA ALA 56 HA ALA 56 -11.128 -6.540 -4.512 427 HB1 ALA 56 HB1 ALA 56 -11.591 -7.799 -1.807 428 HB2 ALA 56 HB2 ALA 56 -11.157 -8.621 -3.306 429 HB3 ALA 56 HB3 ALA 56 -12.737 -7.858 -3.145 430 H ALA 57 HN ALA 57 -10.996 -5.188 -1.261 431 HA ALA 57 HA ALA 57 -13.509 -3.873 -1.361 432 HB1 ALA 57 HB1 ALA 57 -12.142 -4.419 0.704 433 HB2 ALA 57 HB2 ALA 57 -12.884 -2.823 0.655 434 HB3 ALA 57 HB3 ALA 57 -11.164 -3.006 0.309 435 H LEU 58 HN LEU 58 -10.177 -2.773 -1.913 436 HA LEU 58 HA LEU 58 -10.843 -0.094 -2.479 437 HB2 LEU 58 HB2 LEU 58 -8.448 -1.743 -3.276 438 HB3 LEU 58 HB1 LEU 58 -8.579 -0.018 -3.555 439 HG LEU 58 HG LEU 58 -8.588 -1.363 -0.853 440 HD11 LEU 58 HD11 LEU 58 -6.420 -0.356 -0.553 441 HD12 LEU 58 HD12 LEU 58 -6.512 0.382 -2.151 442 HD13 LEU 58 HD13 LEU 58 -6.406 -1.373 -1.995 443 HD21 LEU 58 HD21 LEU 58 -8.426 0.951 0.005 444 HD22 LEU 58 HD22 LEU 58 -9.961 0.614 -0.790 445 HD23 LEU 58 HD23 LEU 58 -8.719 1.548 -1.628 446 H SER 59 HN SER 59 -10.355 -2.888 -4.639 447 HA SER 59 HA SER 59 -10.657 -1.483 -7.050 448 HB2 SER 59 HB2 SER 59 -11.337 -4.364 -6.413 449 HB3 SER 59 HB1 SER 59 -11.189 -3.696 -8.039 450 HG SER 59 HG SER 59 -9.155 -4.149 -7.845 451 H GLN 60 HN GLN 60 -13.008 -2.908 -4.863 452 HA GLN 60 HA GLN 60 -15.258 -2.467 -6.559 453 HB2 GLN 60 HB2 GLN 60 -14.947 -4.058 -4.490 454 HB3 GLN 60 HB1 GLN 60 -15.490 -2.652 -3.581 455 HG2 GLN 60 HG2 GLN 60 -17.595 -2.684 -4.548 456 HG3 GLN 60 HG1 GLN 60 -17.060 -3.659 -5.915 457 HE21 GLN 60 HE21 GLN 60 -16.156 -4.401 -2.633 458 HE22 GLN 60 HE22 GLN 60 -17.112 -5.836 -2.496 459 H ARG 61 HN ARG 61 -13.914 -0.790 -3.736 460 HA ARG 61 HA ARG 61 -15.768 1.289 -3.563 461 HB2 ARG 61 HB2 ARG 61 -14.341 1.130 -1.741 462 HB3 ARG 61 HB1 ARG 61 -12.914 0.937 -2.746 463 HG2 ARG 61 HG2 ARG 61 -13.004 3.306 -3.334 464 HG3 ARG 61 HG1 ARG 61 -14.437 3.500 -2.319 465 HD2 ARG 61 HD2 ARG 61 -13.213 3.016 -0.349 466 HD3 ARG 61 HD1 ARG 61 -11.823 2.445 -1.268 467 HE ARG 61 HE ARG 61 -11.215 4.666 -1.711 468 HH11 ARG 61 HH11 ARG 61 -14.125 4.474 0.240 469 HH12 ARG 61 HH12 ARG 61 -14.046 6.134 0.736 470 HH21 ARG 61 HH21 ARG 61 -11.109 6.822 -1.062 471 HH22 ARG 61 HH22 ARG 61 -12.326 7.479 -0.014 472 H ALA 62 HN ALA 62 -12.844 0.991 -5.516 473 HA ALA 62 HA ALA 62 -12.766 3.617 -6.498 474 HB1 ALA 62 HB1 ALA 62 -11.821 1.117 -7.881 475 HB2 ALA 62 HB2 ALA 62 -10.912 2.010 -6.662 476 HB3 ALA 62 HB3 ALA 62 -11.294 2.767 -8.208 477 H MET 63 HN MET 63 -14.442 0.745 -7.756 478 HA MET 63 HA MET 63 -15.356 2.198 -10.074 479 HB2 MET 63 HB2 MET 63 -16.385 0.184 -10.793 480 HB3 MET 63 HB1 MET 63 -14.838 -0.264 -10.095 481 HG2 MET 63 HG2 MET 63 -15.856 -1.122 -8.144 482 HG3 MET 63 HG1 MET 63 -17.406 -0.394 -8.552 483 HE1 MET 63 HE1 MET 63 -14.906 -2.421 -10.904 484 HE2 MET 63 HE2 MET 63 -15.558 -4.045 -10.681 485 HE3 MET 63 HE3 MET 63 -14.828 -3.195 -9.320 486 H ILE 64 HN ILE 64 -16.604 1.437 -6.911 487 HA ILE 64 HA ILE 64 -19.331 2.052 -7.599 488 HB ILE 64 HB ILE 64 -17.967 1.608 -4.945 489 HG12 ILE 64 HG12 ILE 64 -19.964 -0.025 -6.530 490 HG13 ILE 64 HG11 ILE 64 -18.248 -0.373 -6.356 491 HG21 ILE 64 HG21 ILE 64 -20.210 1.594 -3.937 492 HG22 ILE 64 HG22 ILE 64 -20.890 2.132 -5.473 493 HG23 ILE 64 HG23 ILE 64 -19.781 3.178 -4.586 494 HD11 ILE 64 HD11 ILE 64 -20.297 -0.390 -4.151 495 HD12 ILE 64 HD12 ILE 64 -18.575 -0.717 -3.950 496 HD13 ILE 64 HD13 ILE 64 -19.574 -1.800 -4.922 497 H LEU 65 HN LEU 65 -16.734 3.732 -5.840 498 HA LEU 65 HA LEU 65 -18.406 6.090 -5.544 499 HB2 LEU 65 HB2 LEU 65 -16.624 5.114 -3.881 500 HB3 LEU 65 HB1 LEU 65 -15.495 6.026 -4.865 501 HG LEU 65 HG LEU 65 -16.718 8.094 -4.373 502 HD11 LEU 65 HD11 LEU 65 -18.480 6.281 -2.740 503 HD12 LEU 65 HD12 LEU 65 -18.952 7.338 -4.071 504 HD13 LEU 65 HD13 LEU 65 -18.425 8.031 -2.540 505 HD21 LEU 65 HD21 LEU 65 -15.966 6.514 -1.918 506 HD22 LEU 65 HD22 LEU 65 -16.111 8.270 -2.007 507 HD23 LEU 65 HD23 LEU 65 -14.864 7.441 -2.938 508 H GLY 66 HN GLY 66 -15.857 4.919 -7.588 509 HA2 GLY 66 HA2 GLY 66 -15.367 5.762 -9.716 510 HA3 GLY 66 HA1 GLY 66 -16.213 7.244 -9.296 511 H LYS 67 HN LYS 67 -13.704 5.793 -7.297 512 HA LYS 67 HA LYS 67 -11.771 7.750 -8.249 513 HB2 LYS 67 HB2 LYS 67 -11.238 8.521 -5.968 514 HB3 LYS 67 HB1 LYS 67 -12.861 8.963 -6.466 515 HG2 LYS 67 HG2 LYS 67 -13.855 7.604 -4.926 516 HG3 LYS 67 HG1 LYS 67 -12.515 6.455 -4.908 517 HD2 LYS 67 HD2 LYS 67 -12.628 7.681 -2.804 518 HD3 LYS 67 HD1 LYS 67 -11.151 8.081 -3.679 519 HE2 LYS 67 HE2 LYS 67 -12.374 10.102 -4.576 520 HE3 LYS 67 HE1 LYS 67 -13.651 9.735 -3.417 521 HZ1 LYS 67 HZ1 LYS 67 -12.262 11.307 -2.392 522 HZ2 LYS 67 HZ2 LYS 67 -10.851 10.497 -2.848 523 HZ3 LYS 67 HZ3 LYS 67 -11.862 9.829 -1.672 524 H SER 68 HN SER 68 -9.856 6.860 -8.470 525 HA SER 68 HA SER 68 -9.294 4.357 -7.036 526 HB2 SER 68 HB2 SER 68 -7.463 4.451 -9.068 527 HB3 SER 68 HB1 SER 68 -9.021 3.630 -9.169 528 HG SER 68 HG SER 68 -9.798 5.200 -10.389 529 H GLY 69 HN GLY 69 -8.868 7.156 -6.117 530 HA2 GLY 69 HA2 GLY 69 -6.216 7.980 -6.250 531 HA3 GLY 69 HA1 GLY 69 -7.302 8.316 -4.912 532 H GLU 70 HN GLU 70 -7.704 5.624 -4.093 533 HA GLU 70 HA GLU 70 -5.239 5.239 -2.615 534 HB2 GLU 70 HB2 GLU 70 -7.872 3.749 -2.456 535 HB3 GLU 70 HB1 GLU 70 -6.519 3.544 -1.357 536 HG2 GLU 70 HG2 GLU 70 -7.979 4.914 -0.192 537 HG3 GLU 70 HG1 GLU 70 -6.789 6.034 -0.849 538 H LEU 71 HN LEU 71 -7.181 3.581 -5.023 539 HA LEU 71 HA LEU 71 -5.871 1.115 -5.045 540 HB2 LEU 71 HB2 LEU 71 -7.856 2.424 -6.579 541 HB3 LEU 71 HB1 LEU 71 -6.650 1.839 -7.705 542 HG LEU 71 HG LEU 71 -8.339 0.227 -5.797 543 HD11 LEU 71 HD11 LEU 71 -8.888 -0.975 -7.915 544 HD12 LEU 71 HD12 LEU 71 -7.988 0.263 -8.789 545 HD13 LEU 71 HD13 LEU 71 -9.425 0.704 -7.868 546 HD21 LEU 71 HD21 LEU 71 -7.066 -1.747 -6.775 547 HD22 LEU 71 HD22 LEU 71 -6.225 -0.789 -5.559 548 HD23 LEU 71 HD23 LEU 71 -5.839 -0.579 -7.269 549 H LYS 72 HN LYS 72 -5.062 4.146 -6.631 550 HA LYS 72 HA LYS 72 -3.120 3.205 -8.418 551 HB2 LYS 72 HB2 LYS 72 -3.632 5.844 -7.100 552 HB3 LYS 72 HB1 LYS 72 -2.167 5.610 -8.041 553 HG2 LYS 72 HG2 LYS 72 -4.331 4.647 -9.588 554 HG3 LYS 72 HG1 LYS 72 -4.788 6.223 -8.943 555 HD2 LYS 72 HD2 LYS 72 -2.250 5.605 -10.451 556 HD3 LYS 72 HD1 LYS 72 -3.667 6.426 -11.110 557 HE2 LYS 72 HE2 LYS 72 -3.379 8.265 -9.586 558 HE3 LYS 72 HE1 LYS 72 -2.070 7.428 -8.757 559 HZ1 LYS 72 HZ1 LYS 72 -0.742 7.561 -10.753 560 HZ2 LYS 72 HZ2 LYS 72 -1.251 9.106 -10.296 561 HZ3 LYS 72 HZ3 LYS 72 -2.004 8.316 -11.587 562 H THR 73 HN THR 73 -2.800 4.376 -5.084 563 HA THR 73 HA THR 73 0.016 4.000 -4.965 564 HB THR 73 HB THR 73 -1.738 3.998 -2.533 565 HG1 THR 73 HG1 THR 73 -1.107 6.280 -4.145 566 HG21 THR 73 HG21 THR 73 0.895 5.331 -3.184 567 HG22 THR 73 HG22 THR 73 0.693 3.849 -2.248 568 HG23 THR 73 HG23 THR 73 0.073 5.378 -1.625 569 H TRP 74 HN TRP 74 -2.781 2.116 -3.916 570 HA TRP 74 HA TRP 74 -1.476 0.085 -2.538 571 HB2 TRP 74 HB2 TRP 74 -3.912 0.413 -2.502 572 HB3 TRP 74 HB1 TRP 74 -4.009 -0.102 -4.183 573 HD1 TRP 74 HD1 TRP 74 -4.490 -2.599 -4.552 574 HE1 TRP 74 HE1 TRP 74 -4.405 -4.724 -3.095 575 HE3 TRP 74 HE3 TRP 74 -2.448 -0.599 -0.308 576 HZ2 TRP 74 HZ2 TRP 74 -3.580 -5.447 -0.503 577 HZ3 TRP 74 HZ3 TRP 74 -2.047 -2.074 1.613 578 HH2 TRP 74 HH2 TRP 74 -2.604 -4.453 1.520 579 H GLY 75 HN GLY 75 -2.385 0.205 -5.977 580 HA2 GLY 75 HA2 GLY 75 -1.559 -2.339 -6.721 581 HA3 GLY 75 HA1 GLY 75 -1.591 -0.953 -7.795 582 H LEU 76 HN LEU 76 0.390 0.610 -6.500 583 HA LEU 76 HA LEU 76 2.726 -0.536 -7.649 584 HB2 LEU 76 HB2 LEU 76 2.372 1.877 -5.877 585 HB3 LEU 76 HB1 LEU 76 3.876 1.447 -6.666 586 HG LEU 76 HG LEU 76 1.313 2.082 -8.124 587 HD11 LEU 76 HD11 LEU 76 2.170 4.029 -6.912 588 HD12 LEU 76 HD12 LEU 76 2.340 4.218 -8.657 589 HD13 LEU 76 HD13 LEU 76 3.744 3.804 -7.672 590 HD21 LEU 76 HD21 LEU 76 2.766 0.645 -9.406 591 HD22 LEU 76 HD22 LEU 76 4.146 1.690 -9.073 592 HD23 LEU 76 HD23 LEU 76 2.818 2.277 -10.074 593 H VAL 77 HN VAL 77 1.735 0.086 -4.292 594 HA VAL 77 HA VAL 77 4.095 -0.956 -3.123 595 HB VAL 77 HB VAL 77 1.333 -0.721 -1.907 596 HG11 VAL 77 HG11 VAL 77 4.038 -1.112 -0.631 597 HG12 VAL 77 HG12 VAL 77 2.684 -2.242 -0.611 598 HG13 VAL 77 HG13 VAL 77 2.565 -0.707 0.248 599 HG21 VAL 77 HG21 VAL 77 2.295 1.348 -0.881 600 HG22 VAL 77 HG22 VAL 77 2.069 1.433 -2.628 601 HG23 VAL 77 HG23 VAL 77 3.680 1.169 -1.958 602 H LEU 78 HN LEU 78 0.938 -2.385 -3.856 603 HA LEU 78 HA LEU 78 1.342 -4.888 -2.678 604 HB2 LEU 78 HB2 LEU 78 -0.828 -4.036 -3.522 605 HB3 LEU 78 HB1 LEU 78 -0.250 -4.244 -5.164 606 HG LEU 78 HG LEU 78 0.000 -6.707 -4.653 607 HD11 LEU 78 HD11 LEU 78 -1.690 -5.999 -2.261 608 HD12 LEU 78 HD12 LEU 78 0.012 -6.457 -2.196 609 HD13 LEU 78 HD13 LEU 78 -1.191 -7.612 -2.771 610 HD21 LEU 78 HD21 LEU 78 -2.392 -7.158 -4.921 611 HD22 LEU 78 HD22 LEU 78 -1.853 -5.840 -5.961 612 HD23 LEU 78 HD23 LEU 78 -2.752 -5.488 -4.486 613 H GLY 79 HN GLY 79 2.124 -3.695 -5.920 614 HA2 GLY 79 HA2 GLY 79 3.022 -6.150 -6.987 615 HA3 GLY 79 HA1 GLY 79 3.466 -4.554 -7.577 616 H ALA 80 HN ALA 80 4.712 -3.565 -5.274 617 HA ALA 80 HA ALA 80 7.317 -4.629 -5.580 618 HB1 ALA 80 HB1 ALA 80 6.255 -2.796 -3.434 619 HB2 ALA 80 HB2 ALA 80 6.906 -2.288 -4.991 620 HB3 ALA 80 HB3 ALA 80 7.956 -3.073 -3.809 621 H LEU 81 HN LEU 81 4.895 -4.894 -3.003 622 HA LEU 81 HA LEU 81 6.499 -6.472 -1.269 623 HB2 LEU 81 HB2 LEU 81 3.524 -6.051 -1.457 624 HB3 LEU 81 HB1 LEU 81 4.261 -7.058 -0.226 625 HG LEU 81 HG LEU 81 4.708 -4.096 -0.607 626 HD11 LEU 81 HD11 LEU 81 3.304 -5.624 1.577 627 HD12 LEU 81 HD12 LEU 81 2.521 -4.664 0.324 628 HD13 LEU 81 HD13 LEU 81 3.552 -3.878 1.519 629 HD21 LEU 81 HD21 LEU 81 6.747 -5.071 0.186 630 HD22 LEU 81 HD22 LEU 81 5.882 -6.036 1.382 631 HD23 LEU 81 HD23 LEU 81 5.950 -4.282 1.546 632 H LYS 82 HN LYS 82 4.221 -7.232 -3.839 633 HA LYS 82 HA LYS 82 3.959 -9.978 -3.384 634 HB2 LYS 82 HB2 LYS 82 2.685 -8.467 -5.035 635 HB3 LYS 82 HB1 LYS 82 4.023 -8.755 -6.137 636 HG2 LYS 82 HG2 LYS 82 3.575 -11.101 -6.182 637 HG3 LYS 82 HG1 LYS 82 2.373 -10.948 -4.901 638 HD2 LYS 82 HD2 LYS 82 1.017 -9.518 -6.398 639 HD3 LYS 82 HD1 LYS 82 2.195 -9.793 -7.683 640 HE2 LYS 82 HE2 LYS 82 1.734 -12.179 -7.625 641 HE3 LYS 82 HE1 LYS 82 0.616 -11.951 -6.281 642 HZ1 LYS 82 HZ1 LYS 82 -0.389 -12.161 -8.564 643 HZ2 LYS 82 HZ2 LYS 82 0.236 -10.628 -8.902 644 HZ3 LYS 82 HZ3 LYS 82 -0.894 -10.827 -7.658 645 H ALA 83 HN ALA 83 6.348 -8.170 -5.266 646 HA ALA 83 HA ALA 83 7.753 -10.441 -6.227 647 HB1 ALA 83 HB1 ALA 83 8.681 -7.590 -5.902 648 HB2 ALA 83 HB2 ALA 83 7.935 -8.289 -7.338 649 HB3 ALA 83 HB3 ALA 83 9.525 -8.843 -6.812 650 H ALA 84 HN ALA 84 8.153 -8.326 -3.429 651 HA ALA 84 HA ALA 84 10.586 -9.362 -2.484 652 HB1 ALA 84 HB1 ALA 84 8.322 -8.073 -0.960 653 HB2 ALA 84 HB2 ALA 84 9.708 -7.252 -1.677 654 HB3 ALA 84 HB3 ALA 84 9.942 -8.357 -0.323 655 H ARG 85 HN ARG 85 7.255 -10.356 -2.004 656 HA ARG 85 HA ARG 85 8.037 -12.460 -0.148 657 HB2 ARG 85 HB2 ARG 85 5.413 -11.406 -1.154 658 HB3 ARG 85 HB1 ARG 85 5.490 -12.971 -0.356 659 HG2 ARG 85 HG2 ARG 85 6.632 -10.517 0.927 660 HG3 ARG 85 HG1 ARG 85 4.918 -10.912 1.056 661 HD2 ARG 85 HD2 ARG 85 5.423 -13.012 2.100 662 HD3 ARG 85 HD1 ARG 85 7.149 -12.789 1.830 663 HE ARG 85 HE ARG 85 6.855 -10.765 3.347 664 HH11 ARG 85 HH11 ARG 85 4.683 -13.491 5.345 665 HH12 ARG 85 HH12 ARG 85 4.972 -13.709 3.652 666 HH21 ARG 85 HH21 ARG 85 5.531 -11.659 6.442 667 HH22 ARG 85 HH22 ARG 85 6.465 -10.486 5.569 668 H GLU 86 HN GLU 86 8.151 -12.127 -3.395 669 HA GLU 86 HA GLU 86 7.130 -14.739 -4.126 670 HB2 GLU 86 HB2 GLU 86 7.043 -12.714 -5.647 671 HB3 GLU 86 HB1 GLU 86 8.785 -12.867 -5.824 672 HG2 GLU 86 HG2 GLU 86 8.272 -15.286 -6.557 673 HG3 GLU 86 HG1 GLU 86 6.631 -14.690 -6.799 674 H GLU 87 HN GLU 87 10.263 -13.103 -3.937 675 HA GLU 87 HA GLU 87 11.779 -15.418 -4.591 676 HB2 GLU 87 HB2 GLU 87 12.696 -12.959 -3.100 677 HB3 GLU 87 HB1 GLU 87 13.715 -14.118 -3.933 678 HG2 GLU 87 HG2 GLU 87 12.353 -13.423 -6.030 679 HG3 GLU 87 HG1 GLU 87 11.929 -12.009 -5.065 680 H1 FGV 101 H1 IP3 1 12.697 10.382 -1.250 681 H2 FGV 101 H2 IP3 1 13.451 9.177 0.763 682 H3 FGV 101 H3 IP3 1 12.483 11.387 1.063 683 H4 FGV 101 H4 IP3 1 9.831 9.936 1.491 684 H5 FGV 101 H5 IP3 1 10.703 11.878 -0.715 685 H6 FGV 101 H6 IP3 1 10.040 8.888 -0.874 686 H11 FGV 101 H11 IP3 1 15.550 7.357 -3.448 687 H12 FGV 101 H12 IP3 1 11.260 7.749 0.261 688 H14 FGV 101 H14 IP3 1 10.498 11.929 2.680 689 H16 FGV 101 H16 IP3 1 9.879 10.810 -2.575 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 2.569 5.103 9.831 2 H2 SER 1 HT2 SER 1 2.277 4.753 11.458 3 H3 SER 1 HT3 SER 1 3.781 4.400 10.781 4 HA SER 1 HA SER 1 2.634 7.092 11.155 5 HB2 SER 1 HB2 SER 1 5.131 6.439 12.531 6 HB3 SER 1 HB1 SER 1 3.651 7.158 13.166 7 HG SER 1 HG SER 1 3.629 5.242 14.144 8 H GLU 2 HN GLU 2 5.982 5.864 11.022 9 HA GLU 2 HA GLU 2 6.355 7.240 8.471 10 HB2 GLU 2 HB2 GLU 2 8.589 7.746 10.298 11 HB3 GLU 2 HB1 GLU 2 7.786 8.830 9.175 12 HG2 GLU 2 HG2 GLU 2 7.282 9.853 11.139 13 HG3 GLU 2 HG1 GLU 2 5.893 8.773 11.007 14 H ALA 3 HN ALA 3 7.913 5.321 11.022 15 HA ALA 3 HA ALA 3 10.113 4.362 9.694 16 HB1 ALA 3 HB1 ALA 3 10.070 2.478 11.222 17 HB2 ALA 3 HB2 ALA 3 8.389 2.821 11.625 18 HB3 ALA 3 HB3 ALA 3 9.655 3.970 12.061 19 H VAL 4 HN VAL 4 6.823 3.019 9.590 20 HA VAL 4 HA VAL 4 7.485 0.785 7.982 21 HB VAL 4 HB VAL 4 4.837 2.180 8.374 22 HG11 VAL 4 HG11 VAL 4 4.828 0.950 6.257 23 HG12 VAL 4 HG12 VAL 4 3.797 0.165 7.453 24 HG13 VAL 4 HG13 VAL 4 5.390 -0.498 7.090 25 HG21 VAL 4 HG21 VAL 4 4.361 0.427 9.932 26 HG22 VAL 4 HG22 VAL 4 5.913 1.142 10.365 27 HG23 VAL 4 HG23 VAL 4 5.860 -0.409 9.527 28 H ILE 5 HN ILE 5 6.362 4.040 7.199 29 HA ILE 5 HA ILE 5 5.972 3.666 4.441 30 HB ILE 5 HB ILE 5 6.797 6.203 5.876 31 HG12 ILE 5 HG12 ILE 5 4.053 5.136 5.146 32 HG13 ILE 5 HG11 ILE 5 4.723 5.215 6.773 33 HG21 ILE 5 HG21 ILE 5 5.720 5.686 3.116 34 HG22 ILE 5 HG22 ILE 5 7.183 6.558 3.576 35 HG23 ILE 5 HG23 ILE 5 5.598 7.260 3.898 36 HD11 ILE 5 HD11 ILE 5 3.131 7.014 6.337 37 HD12 ILE 5 HD12 ILE 5 4.142 7.581 5.006 38 HD13 ILE 5 HD13 ILE 5 4.749 7.633 6.660 39 H LYS 6 HN LYS 6 8.810 4.406 6.361 40 HA LYS 6 HA LYS 6 10.618 5.083 4.336 41 HB2 LYS 6 HB2 LYS 6 10.995 3.733 7.004 42 HB3 LYS 6 HB1 LYS 6 12.348 4.142 5.964 43 HG2 LYS 6 HG2 LYS 6 10.349 6.132 7.010 44 HG3 LYS 6 HG1 LYS 6 11.912 5.796 7.753 45 HD2 LYS 6 HD2 LYS 6 11.561 6.724 4.906 46 HD3 LYS 6 HD1 LYS 6 11.886 7.801 6.264 47 HE2 LYS 6 HE2 LYS 6 14.007 6.786 6.660 48 HE3 LYS 6 HE1 LYS 6 13.663 5.485 5.521 49 HZ1 LYS 6 HZ1 LYS 6 14.093 8.347 4.878 50 HZ2 LYS 6 HZ2 LYS 6 13.585 7.193 3.752 51 HZ3 LYS 6 HZ3 LYS 6 15.103 7.051 4.478 52 H VAL 7 HN VAL 7 9.797 1.932 5.726 53 HA VAL 7 HA VAL 7 11.594 0.398 4.201 54 HB VAL 7 HB VAL 7 8.936 -0.484 5.345 55 HG11 VAL 7 HG11 VAL 7 9.969 -2.723 5.392 56 HG12 VAL 7 HG12 VAL 7 11.378 -2.066 4.556 57 HG13 VAL 7 HG13 VAL 7 9.809 -2.088 3.754 58 HG21 VAL 7 HG21 VAL 7 10.276 0.507 7.085 59 HG22 VAL 7 HG22 VAL 7 11.682 -0.436 6.589 60 HG23 VAL 7 HG23 VAL 7 10.279 -1.246 7.283 61 H ILE 8 HN ILE 8 8.165 1.157 3.730 62 HA ILE 8 HA ILE 8 7.756 -0.279 1.371 63 HB ILE 8 HB ILE 8 6.432 2.301 2.224 64 HG12 ILE 8 HG12 ILE 8 6.155 0.582 3.915 65 HG13 ILE 8 HG11 ILE 8 4.635 0.806 3.059 66 HG21 ILE 8 HG21 ILE 8 4.592 1.621 0.764 67 HG22 ILE 8 HG22 ILE 8 5.533 0.228 0.228 68 HG23 ILE 8 HG23 ILE 8 6.086 1.861 -0.143 69 HD11 ILE 8 HD11 ILE 8 5.193 -1.199 1.689 70 HD12 ILE 8 HD12 ILE 8 4.968 -1.526 3.407 71 HD13 ILE 8 HD13 ILE 8 6.595 -1.451 2.730 72 H SER 9 HN SER 9 8.703 3.121 1.796 73 HA SER 9 HA SER 9 8.725 3.885 -0.877 74 HB2 SER 9 HB2 SER 9 10.582 4.872 1.297 75 HB3 SER 9 HB1 SER 9 10.168 5.719 -0.194 76 HG SER 9 HG SER 9 8.382 5.019 1.901 77 H SER 10 HN SER 10 11.315 2.382 1.027 78 HA SER 10 HA SER 10 13.179 2.475 -1.149 79 HB2 SER 10 HB2 SER 10 13.264 0.966 1.473 80 HB3 SER 10 HB1 SER 10 14.611 1.107 0.341 81 HG SER 10 HG SER 10 14.424 3.410 0.607 82 H ALA 11 HN ALA 11 11.101 -0.010 0.283 83 HA ALA 11 HA ALA 11 12.038 -2.205 -1.179 84 HB1 ALA 11 HB1 ALA 11 10.606 -2.436 0.774 85 HB2 ALA 11 HB2 ALA 11 9.921 -3.282 -0.614 86 HB3 ALA 11 HB3 ALA 11 9.260 -1.725 -0.115 87 H CYS 12 HN CYS 12 9.394 0.063 -1.953 88 HA CYS 12 HA CYS 12 8.718 -1.295 -4.357 89 HB2 CYS 12 HB2 CYS 12 7.374 0.732 -4.884 90 HB3 CYS 12 HB1 CYS 12 7.035 0.058 -3.294 91 HG CYS 12 HG CYS 12 8.414 1.990 -1.881 92 H LYS 13 HN LYS 13 10.998 1.227 -3.583 93 HA LYS 13 HA LYS 13 11.407 2.256 -6.162 94 HB2 LYS 13 HB2 LYS 13 12.264 3.166 -3.944 95 HB3 LYS 13 HB1 LYS 13 13.561 1.986 -4.072 96 HG2 LYS 13 HG2 LYS 13 14.021 3.026 -6.368 97 HG3 LYS 13 HG1 LYS 13 13.000 4.357 -5.818 98 HD2 LYS 13 HD2 LYS 13 14.484 4.525 -3.800 99 HD3 LYS 13 HD1 LYS 13 15.562 3.369 -4.582 100 HE2 LYS 13 HE2 LYS 13 15.704 4.939 -6.523 101 HE3 LYS 13 HE1 LYS 13 14.790 6.107 -5.571 102 HZ1 LYS 13 HZ1 LYS 13 17.141 6.538 -5.409 103 HZ2 LYS 13 HZ2 LYS 13 17.437 4.964 -4.866 104 HZ3 LYS 13 HZ3 LYS 13 16.556 6.040 -3.903 105 H THR 14 HN THR 14 12.494 -0.673 -4.648 106 HA THR 14 HA THR 14 14.596 -1.241 -6.483 107 HB THR 14 HB THR 14 13.141 -3.299 -4.838 108 HG1 THR 14 HG1 THR 14 14.311 -2.613 -3.055 109 HG21 THR 14 HG21 THR 14 16.058 -2.964 -5.538 110 HG22 THR 14 HG22 THR 14 14.939 -4.048 -6.365 111 HG23 THR 14 HG23 THR 14 15.339 -4.318 -4.667 112 H TYR 15 HN TYR 15 11.194 -1.438 -6.754 113 HA TYR 15 HA TYR 15 11.512 -3.261 -9.049 114 HB2 TYR 15 HB2 TYR 15 9.189 -3.102 -7.123 115 HB3 TYR 15 HB1 TYR 15 9.180 -4.042 -8.612 116 HD1 TYR 15 HD1 TYR 15 9.806 -4.162 -5.159 117 HD2 TYR 15 HD2 TYR 15 11.205 -5.722 -8.860 118 HE1 TYR 15 HE1 TYR 15 10.846 -6.042 -3.965 119 HE2 TYR 15 HE2 TYR 15 12.247 -7.608 -7.679 120 HH TYR 15 HH TYR 15 11.518 -8.485 -4.605 121 H CYS 16 HN CYS 16 9.594 -0.579 -7.732 122 HA CYS 16 HA CYS 16 8.460 -0.041 -10.354 123 HB2 CYS 16 HB2 CYS 16 8.095 1.506 -7.783 124 HB3 CYS 16 HB1 CYS 16 7.102 1.611 -9.232 125 HG CYS 16 HG CYS 16 6.604 -1.344 -8.818 126 H GLY 17 HN GLY 17 11.182 0.875 -8.569 127 HA2 GLY 17 HA2 GLY 17 12.855 2.392 -8.950 128 HA3 GLY 17 HA1 GLY 17 12.234 2.502 -10.588 129 H LYS 18 HN LYS 18 11.551 4.421 -11.206 130 HA LYS 18 HA LYS 18 11.272 6.546 -9.251 131 HB2 LYS 18 HB2 LYS 18 11.246 8.048 -11.128 132 HB3 LYS 18 HB1 LYS 18 12.521 6.866 -11.392 133 HG2 LYS 18 HG2 LYS 18 10.705 5.594 -12.749 134 HG3 LYS 18 HG1 LYS 18 9.898 7.161 -12.794 135 HD2 LYS 18 HD2 LYS 18 12.741 6.684 -13.677 136 HD3 LYS 18 HD1 LYS 18 11.355 6.713 -14.764 137 HE2 LYS 18 HE2 LYS 18 10.895 9.014 -14.163 138 HE3 LYS 18 HE1 LYS 18 12.197 8.990 -12.976 139 HZ1 LYS 18 HZ1 LYS 18 12.509 8.699 -15.912 140 HZ2 LYS 18 HZ2 LYS 18 13.770 8.616 -14.787 141 HZ3 LYS 18 HZ3 LYS 18 12.919 10.060 -14.993 142 H THR 19 HN THR 19 9.269 4.304 -10.715 143 HA THR 19 HA THR 19 6.911 5.974 -10.868 144 HB THR 19 HB THR 19 6.693 3.004 -10.969 145 HG1 THR 19 HG1 THR 19 8.512 3.156 -12.192 146 HG21 THR 19 HG21 THR 19 4.730 4.371 -11.406 147 HG22 THR 19 HG22 THR 19 5.226 3.547 -12.883 148 HG23 THR 19 HG23 THR 19 5.599 5.257 -12.660 149 H SER 20 HN SER 20 8.563 4.681 -8.382 150 HA SER 20 HA SER 20 6.589 3.446 -6.783 151 HB2 SER 20 HB2 SER 20 9.021 4.931 -5.780 152 HB3 SER 20 HB1 SER 20 8.213 3.548 -5.039 153 HG SER 20 HG SER 20 10.149 3.604 -6.936 154 HA PRO 21 HA PRO 21 4.263 6.926 -5.367 155 HB2 PRO 21 HB2 PRO 21 3.394 5.972 -2.967 156 HB3 PRO 21 HB1 PRO 21 2.755 5.402 -4.520 157 HG2 PRO 21 HG2 PRO 21 4.765 4.132 -2.733 158 HG3 PRO 21 HG1 PRO 21 3.440 3.393 -3.654 159 HD2 PRO 21 HD2 PRO 21 6.022 3.336 -4.486 160 HD3 PRO 21 HD1 PRO 21 4.644 3.333 -5.598 161 H SER 22 HN SER 22 4.228 8.609 -3.808 162 HA SER 22 HA SER 22 6.797 8.937 -2.460 163 HB2 SER 22 HB2 SER 22 5.964 11.311 -2.142 164 HB3 SER 22 HB1 SER 22 6.173 10.798 -3.816 165 HG SER 22 HG SER 22 3.860 10.310 -3.783 166 H LYS 23 HN LYS 23 6.843 9.898 -0.295 167 HA LYS 23 HA LYS 23 5.614 8.351 1.627 168 HB2 LYS 23 HB2 LYS 23 7.618 9.686 2.026 169 HB3 LYS 23 HB1 LYS 23 6.684 11.167 1.878 170 HG2 LYS 23 HG2 LYS 23 5.375 10.488 3.870 171 HG3 LYS 23 HG1 LYS 23 6.439 9.091 4.047 172 HD2 LYS 23 HD2 LYS 23 7.479 11.915 3.956 173 HD3 LYS 23 HD1 LYS 23 6.978 11.134 5.459 174 HE2 LYS 23 HE2 LYS 23 8.697 9.584 5.375 175 HE3 LYS 23 HE1 LYS 23 8.929 9.779 3.640 176 HZ1 LYS 23 HZ1 LYS 23 9.513 11.955 5.555 177 HZ2 LYS 23 HZ2 LYS 23 10.035 11.798 3.952 178 HZ3 LYS 23 HZ3 LYS 23 10.664 10.783 5.150 179 H LYS 24 HN LYS 24 4.592 11.473 0.351 180 HA LYS 24 HA LYS 24 2.525 12.054 2.128 181 HB2 LYS 24 HB2 LYS 24 2.673 12.707 -0.823 182 HB3 LYS 24 HB1 LYS 24 1.648 13.508 0.355 183 HG2 LYS 24 HG2 LYS 24 3.393 14.648 1.305 184 HG3 LYS 24 HG1 LYS 24 4.588 13.454 0.800 185 HD2 LYS 24 HD2 LYS 24 3.124 15.274 -1.107 186 HD3 LYS 24 HD1 LYS 24 4.711 15.636 -0.427 187 HE2 LYS 24 HE2 LYS 24 5.435 13.381 -1.365 188 HE3 LYS 24 HE1 LYS 24 3.934 13.403 -2.283 189 HZ1 LYS 24 HZ1 LYS 24 5.112 14.496 -3.808 190 HZ2 LYS 24 HZ2 LYS 24 6.382 14.829 -2.739 191 HZ3 LYS 24 HZ3 LYS 24 5.025 15.838 -2.783 192 H GLU 25 HN GLU 25 2.501 10.171 -0.866 193 HA GLU 25 HA GLU 25 -0.317 9.705 -0.824 194 HB2 GLU 25 HB2 GLU 25 1.812 8.211 -2.354 195 HB3 GLU 25 HB1 GLU 25 0.087 8.240 -2.704 196 HG2 GLU 25 HG2 GLU 25 0.164 10.522 -3.332 197 HG3 GLU 25 HG1 GLU 25 1.809 10.697 -2.724 198 H ILE 26 HN ILE 26 2.533 7.819 0.106 199 HA ILE 26 HA ILE 26 1.186 5.419 0.703 200 HB ILE 26 HB ILE 26 3.723 6.488 1.960 201 HG12 ILE 26 HG12 ILE 26 3.383 4.555 -0.344 202 HG13 ILE 26 HG11 ILE 26 3.733 6.269 -0.542 203 HG21 ILE 26 HG21 ILE 26 2.768 4.705 3.295 204 HG22 ILE 26 HG22 ILE 26 4.205 4.121 2.455 205 HG23 ILE 26 HG23 ILE 26 2.601 3.689 1.863 206 HD11 ILE 26 HD11 ILE 26 5.843 5.971 0.652 207 HD12 ILE 26 HD12 ILE 26 5.738 4.931 -0.768 208 HD13 ILE 26 HD13 ILE 26 5.487 4.251 0.839 209 H GLY 27 HN GLY 27 1.985 8.226 2.726 210 HA2 GLY 27 HA2 GLY 27 0.994 7.203 5.155 211 HA3 GLY 27 HA1 GLY 27 1.161 8.909 4.762 212 H ALA 28 HN ALA 28 -0.580 8.997 2.562 213 HA ALA 28 HA ALA 28 -3.065 9.357 3.858 214 HB1 ALA 28 HB1 ALA 28 -2.335 10.641 1.867 215 HB2 ALA 28 HB2 ALA 28 -3.934 9.922 1.667 216 HB3 ALA 28 HB3 ALA 28 -2.532 9.188 0.886 217 H MET 29 HN MET 29 -1.780 6.839 1.755 218 HA MET 29 HA MET 29 -4.165 5.343 1.499 219 HB2 MET 29 HB2 MET 29 -2.145 5.134 0.032 220 HB3 MET 29 HB1 MET 29 -1.327 4.319 1.356 221 HG2 MET 29 HG2 MET 29 -3.216 2.628 1.305 222 HG3 MET 29 HG1 MET 29 -3.700 3.368 -0.219 223 HE1 MET 29 HE1 MET 29 0.096 0.887 0.550 224 HE2 MET 29 HE2 MET 29 -1.248 1.120 1.669 225 HE3 MET 29 HE3 MET 29 -0.124 2.438 1.351 226 H LEU 30 HN LEU 30 -1.401 5.086 3.717 227 HA LEU 30 HA LEU 30 -2.221 2.790 5.088 228 HB2 LEU 30 HB2 LEU 30 -0.297 4.950 5.494 229 HB3 LEU 30 HB1 LEU 30 -0.928 4.306 6.997 230 HG LEU 30 HG LEU 30 -0.203 2.059 6.367 231 HD11 LEU 30 HD11 LEU 30 -0.413 2.168 3.974 232 HD12 LEU 30 HD12 LEU 30 1.252 1.761 4.391 233 HD13 LEU 30 HD13 LEU 30 0.847 3.398 3.880 234 HD21 LEU 30 HD21 LEU 30 1.331 3.445 7.626 235 HD22 LEU 30 HD22 LEU 30 1.961 4.143 6.133 236 HD23 LEU 30 HD23 LEU 30 2.221 2.435 6.486 237 H SER 31 HN SER 31 -2.916 6.205 5.673 238 HA SER 31 HA SER 31 -4.388 5.833 8.049 239 HB2 SER 31 HB2 SER 31 -4.666 8.073 6.024 240 HB3 SER 31 HB1 SER 31 -5.182 8.120 7.710 241 HG SER 31 HG SER 31 -2.523 7.937 6.714 242 H LEU 32 HN LEU 32 -5.238 5.674 4.667 243 HA LEU 32 HA LEU 32 -8.055 5.709 4.985 244 HB2 LEU 32 HB2 LEU 32 -6.561 6.057 2.873 245 HB3 LEU 32 HB1 LEU 32 -6.648 4.314 2.733 246 HG LEU 32 HG LEU 32 -8.291 5.717 1.353 247 HD11 LEU 32 HD11 LEU 32 -8.506 3.322 1.573 248 HD12 LEU 32 HD12 LEU 32 -10.095 4.083 1.654 249 HD13 LEU 32 HD13 LEU 32 -9.316 3.511 3.129 250 HD21 LEU 32 HD21 LEU 32 -9.830 5.802 3.934 251 HD22 LEU 32 HD22 LEU 32 -10.240 6.546 2.388 252 HD23 LEU 32 HD23 LEU 32 -8.890 7.166 3.335 253 H LEU 33 HN LEU 33 -5.679 3.094 4.611 254 HA LEU 33 HA LEU 33 -7.473 0.938 4.662 255 HB2 LEU 33 HB2 LEU 33 -4.627 0.997 5.677 256 HB3 LEU 33 HB1 LEU 33 -5.540 -0.435 5.244 257 HG LEU 33 HG LEU 33 -4.794 1.746 3.299 258 HD11 LEU 33 HD11 LEU 33 -3.150 0.134 2.445 259 HD12 LEU 33 HD12 LEU 33 -3.520 -0.940 3.793 260 HD13 LEU 33 HD13 LEU 33 -2.795 0.640 4.097 261 HD21 LEU 33 HD21 LEU 33 -5.955 -1.010 2.898 262 HD22 LEU 33 HD22 LEU 33 -5.428 0.072 1.611 263 HD23 LEU 33 HD23 LEU 33 -6.784 0.526 2.639 264 H GLN 34 HN GLN 34 -5.935 2.727 7.272 265 HA GLN 34 HA GLN 34 -6.775 0.926 9.322 266 HB2 GLN 34 HB2 GLN 34 -5.653 3.723 9.414 267 HB3 GLN 34 HB1 GLN 34 -6.044 2.789 10.857 268 HG2 GLN 34 HG2 GLN 34 -4.434 1.113 10.286 269 HG3 GLN 34 HG1 GLN 34 -4.139 1.864 8.718 270 HE21 GLN 34 HE21 GLN 34 -1.981 2.166 9.050 271 HE22 GLN 34 HE22 GLN 34 -1.345 3.311 10.185 272 H LYS 35 HN LYS 35 -8.108 3.921 7.969 273 HA LYS 35 HA LYS 35 -10.113 4.113 10.023 274 HB2 LYS 35 HB2 LYS 35 -11.040 5.947 8.784 275 HB3 LYS 35 HB1 LYS 35 -9.289 6.106 8.801 276 HG2 LYS 35 HG2 LYS 35 -9.112 5.822 6.569 277 HG3 LYS 35 HG1 LYS 35 -10.474 4.705 6.485 278 HD2 LYS 35 HD2 LYS 35 -10.918 7.598 7.111 279 HD3 LYS 35 HD1 LYS 35 -10.701 7.072 5.443 280 HE2 LYS 35 HE2 LYS 35 -12.618 5.698 5.521 281 HE3 LYS 35 HE1 LYS 35 -12.715 5.801 7.279 282 HZ1 LYS 35 HZ1 LYS 35 -13.147 8.067 5.407 283 HZ2 LYS 35 HZ2 LYS 35 -13.297 8.122 7.089 284 HZ3 LYS 35 HZ3 LYS 35 -14.374 7.191 6.176 285 H GLU 36 HN GLU 36 -9.900 2.629 6.870 286 HA GLU 36 HA GLU 36 -12.705 2.170 6.568 287 HB2 GLU 36 HB2 GLU 36 -10.245 1.089 5.220 288 HB3 GLU 36 HB1 GLU 36 -11.831 0.411 4.878 289 HG2 GLU 36 HG2 GLU 36 -11.158 3.323 4.581 290 HG3 GLU 36 HG1 GLU 36 -11.045 2.150 3.271 291 H GLY 37 HN GLY 37 -10.386 0.839 8.587 292 HA2 GLY 37 HA2 GLY 37 -10.625 -0.836 10.167 293 HA3 GLY 37 HA1 GLY 37 -12.203 -1.199 9.485 294 H LEU 38 HN LEU 38 -9.700 -1.079 7.205 295 HA LEU 38 HA LEU 38 -9.967 -3.859 6.604 296 HB2 LEU 38 HB2 LEU 38 -8.145 -1.707 5.536 297 HB3 LEU 38 HB1 LEU 38 -8.132 -3.352 4.938 298 HG LEU 38 HG LEU 38 -10.580 -1.592 4.873 299 HD11 LEU 38 HD11 LEU 38 -8.834 -0.572 3.522 300 HD12 LEU 38 HD12 LEU 38 -10.084 -1.269 2.494 301 HD13 LEU 38 HD13 LEU 38 -8.548 -2.111 2.706 302 HD21 LEU 38 HD21 LEU 38 -11.089 -3.941 4.780 303 HD22 LEU 38 HD22 LEU 38 -9.869 -4.196 3.535 304 HD23 LEU 38 HD23 LEU 38 -11.310 -3.242 3.176 305 H LEU 39 HN LEU 39 -7.550 -1.820 8.107 306 HA LEU 39 HA LEU 39 -6.155 -4.241 9.038 307 HB2 LEU 39 HB2 LEU 39 -4.929 -1.581 8.292 308 HB3 LEU 39 HB1 LEU 39 -4.060 -2.934 8.990 309 HG LEU 39 HG LEU 39 -5.382 -2.903 6.275 310 HD11 LEU 39 HD11 LEU 39 -2.490 -2.802 7.110 311 HD12 LEU 39 HD12 LEU 39 -3.404 -1.531 6.301 312 HD13 LEU 39 HD13 LEU 39 -3.053 -3.041 5.459 313 HD21 LEU 39 HD21 LEU 39 -3.840 -5.049 6.180 314 HD22 LEU 39 HD22 LEU 39 -5.493 -5.124 6.787 315 HD23 LEU 39 HD23 LEU 39 -4.145 -5.048 7.917 316 H MET 40 HN MET 40 -4.641 -3.491 10.976 317 HA MET 40 HA MET 40 -6.272 -1.739 12.710 318 HB2 MET 40 HB2 MET 40 -6.339 -4.206 13.265 319 HB3 MET 40 HB1 MET 40 -4.625 -4.093 13.634 320 HG2 MET 40 HG2 MET 40 -5.236 -2.276 15.280 321 HG3 MET 40 HG1 MET 40 -6.914 -2.761 15.041 322 HE1 MET 40 HE1 MET 40 -3.618 -5.339 16.967 323 HE2 MET 40 HE2 MET 40 -3.443 -3.643 16.512 324 HE3 MET 40 HE3 MET 40 -3.560 -4.882 15.264 325 H SER 41 HN SER 41 -3.124 -2.797 11.686 326 HA SER 41 HA SER 41 -1.937 -0.412 12.916 327 HB2 SER 41 HB2 SER 41 0.067 -2.323 13.063 328 HB3 SER 41 HB1 SER 41 -0.920 -1.765 14.414 329 HG SER 41 HG SER 41 -2.001 -3.754 12.776 330 HA PRO 42 HA PRO 42 -0.018 0.151 8.977 331 HB2 PRO 42 HB2 PRO 42 2.451 1.119 9.679 332 HB3 PRO 42 HB1 PRO 42 0.964 2.084 9.738 333 HG2 PRO 42 HG2 PRO 42 2.393 0.696 11.946 334 HG3 PRO 42 HG1 PRO 42 1.625 2.294 11.929 335 HD2 PRO 42 HD2 PRO 42 0.438 0.146 13.043 336 HD3 PRO 42 HD1 PRO 42 -0.489 1.432 12.241 337 H SER 43 HN SER 43 1.412 -1.915 11.329 338 HA SER 43 HA SER 43 3.426 -2.992 9.562 339 HB2 SER 43 HB2 SER 43 3.259 -4.674 11.738 340 HB3 SER 43 HB1 SER 43 4.302 -3.257 11.625 341 HG SER 43 HG SER 43 2.139 -3.679 13.200 342 H ASP 44 HN ASP 44 0.148 -3.378 9.762 343 HA ASP 44 HA ASP 44 -0.072 -6.218 9.590 344 HB2 ASP 44 HB2 ASP 44 -1.954 -3.949 9.013 345 HB3 ASP 44 HB1 ASP 44 -2.379 -5.598 8.570 346 H LEU 45 HN LEU 45 1.076 -3.942 7.424 347 HA LEU 45 HA LEU 45 0.140 -5.101 4.986 348 HB2 LEU 45 HB2 LEU 45 1.590 -2.799 5.745 349 HB3 LEU 45 HB1 LEU 45 2.613 -3.696 4.640 350 HG LEU 45 HG LEU 45 1.251 -2.012 3.479 351 HD11 LEU 45 HD11 LEU 45 1.938 -4.008 2.276 352 HD12 LEU 45 HD12 LEU 45 0.348 -3.468 1.737 353 HD13 LEU 45 HD13 LEU 45 0.489 -4.852 2.821 354 HD21 LEU 45 HD21 LEU 45 -0.686 -2.257 5.108 355 HD22 LEU 45 HD22 LEU 45 -1.166 -3.657 4.150 356 HD23 LEU 45 HD23 LEU 45 -1.093 -2.061 3.404 357 H TYR 46 HN TYR 46 2.282 -6.174 7.283 358 HA TYR 46 HA TYR 46 4.145 -7.448 5.476 359 HB2 TYR 46 HB2 TYR 46 3.799 -7.742 8.468 360 HB3 TYR 46 HB1 TYR 46 5.103 -8.452 7.527 361 HD1 TYR 46 HD1 TYR 46 5.685 -6.091 5.722 362 HD2 TYR 46 HD2 TYR 46 4.990 -6.332 9.911 363 HE1 TYR 46 HE1 TYR 46 7.014 -4.049 6.052 364 HE2 TYR 46 HE2 TYR 46 6.313 -4.293 10.255 365 HH TYR 46 HH TYR 46 7.968 -2.969 9.199 366 H SER 47 HN SER 47 1.038 -8.029 6.429 367 HA SER 47 HA SER 47 1.275 -10.944 6.381 368 HB2 SER 47 HB2 SER 47 -1.260 -9.369 6.813 369 HB3 SER 47 HB1 SER 47 -0.887 -11.010 7.343 370 HG SER 47 HG SER 47 -0.750 -9.142 8.921 371 HA PRO 48 HA PRO 48 0.216 -10.492 2.012 372 HB2 PRO 48 HB2 PRO 48 0.704 -13.084 1.345 373 HB3 PRO 48 HB1 PRO 48 1.993 -11.881 1.556 374 HG2 PRO 48 HG2 PRO 48 1.064 -13.988 3.433 375 HG3 PRO 48 HG1 PRO 48 2.711 -13.445 3.065 376 HD2 PRO 48 HD2 PRO 48 1.353 -12.667 5.288 377 HD3 PRO 48 HD1 PRO 48 2.591 -11.667 4.501 378 H GLY 49 HN GLY 49 -1.153 -12.707 4.336 379 HA2 GLY 49 HA2 GLY 49 -3.169 -13.777 2.615 380 HA3 GLY 49 HA1 GLY 49 -3.135 -13.880 4.367 381 H SER 50 HN SER 50 -2.837 -10.755 4.127 382 HA SER 50 HA SER 50 -5.726 -10.312 4.166 383 HB2 SER 50 HB2 SER 50 -3.659 -8.330 5.083 384 HB3 SER 50 HB1 SER 50 -5.333 -8.512 5.618 385 HG SER 50 HG SER 50 -4.107 -9.408 7.201 386 H TRP 51 HN TRP 51 -3.330 -10.087 1.955 387 HA TRP 51 HA TRP 51 -3.687 -7.468 0.914 388 HB2 TRP 51 HB2 TRP 51 -2.572 -10.004 -0.278 389 HB3 TRP 51 HB1 TRP 51 -2.639 -8.493 -1.176 390 HD1 TRP 51 HD1 TRP 51 -1.871 -7.034 1.878 391 HE1 TRP 51 HE1 TRP 51 0.646 -6.894 2.384 392 HE3 TRP 51 HE3 TRP 51 -0.177 -10.482 -1.500 393 HZ2 TRP 51 HZ2 TRP 51 3.036 -8.073 1.461 394 HZ3 TRP 51 HZ3 TRP 51 2.241 -10.908 -1.631 395 HH2 TRP 51 HH2 TRP 51 3.816 -9.727 -0.182 396 H ASP 52 HN ASP 52 -5.162 -10.586 0.125 397 HA ASP 52 HA ASP 52 -6.506 -9.811 -2.187 398 HB2 ASP 52 HB2 ASP 52 -6.238 -12.156 -1.432 399 HB3 ASP 52 HB1 ASP 52 -7.450 -11.870 -0.191 400 HA PRO 53 HA PRO 53 -10.495 -8.880 0.511 401 HB2 PRO 53 HB2 PRO 53 -9.806 -7.974 3.062 402 HB3 PRO 53 HB1 PRO 53 -10.490 -9.565 2.682 403 HG2 PRO 53 HG2 PRO 53 -7.670 -8.794 3.173 404 HG3 PRO 53 HG1 PRO 53 -8.534 -10.279 3.618 405 HD2 PRO 53 HD2 PRO 53 -6.820 -10.231 1.565 406 HD3 PRO 53 HD1 PRO 53 -8.302 -11.205 1.513 407 H ILE 54 HN ILE 54 -7.475 -7.164 1.314 408 HA ILE 54 HA ILE 54 -8.616 -4.581 1.448 409 HB ILE 54 HB ILE 54 -5.784 -5.405 0.785 410 HG12 ILE 54 HG12 ILE 54 -6.964 -4.319 3.349 411 HG13 ILE 54 HG11 ILE 54 -6.635 -6.025 3.047 412 HG21 ILE 54 HG21 ILE 54 -6.301 -3.167 -0.086 413 HG22 ILE 54 HG22 ILE 54 -5.131 -3.122 1.232 414 HG23 ILE 54 HG23 ILE 54 -6.809 -2.672 1.530 415 HD11 ILE 54 HD11 ILE 54 -4.914 -4.842 4.405 416 HD12 ILE 54 HD12 ILE 54 -4.523 -3.884 2.975 417 HD13 ILE 54 HD13 ILE 54 -4.295 -5.632 2.957 418 H THR 55 HN THR 55 -6.853 -6.217 -1.186 419 HA THR 55 HA THR 55 -7.104 -4.201 -3.099 420 HB THR 55 HB THR 55 -7.127 -7.150 -3.743 421 HG1 THR 55 HG1 THR 55 -5.394 -6.989 -2.423 422 HG21 THR 55 HG21 THR 55 -5.892 -6.454 -5.733 423 HG22 THR 55 HG22 THR 55 -5.940 -4.776 -5.191 424 HG23 THR 55 HG23 THR 55 -7.434 -5.602 -5.636 425 H ALA 56 HN ALA 56 -9.257 -6.901 -2.324 426 HA ALA 56 HA ALA 56 -11.107 -6.553 -4.397 427 HB1 ALA 56 HB1 ALA 56 -12.652 -7.828 -2.987 428 HB2 ALA 56 HB2 ALA 56 -11.565 -7.622 -1.612 429 HB3 ALA 56 HB3 ALA 56 -11.046 -8.553 -3.017 430 H ALA 57 HN ALA 57 -11.077 -5.236 -1.097 431 HA ALA 57 HA ALA 57 -13.509 -3.817 -1.338 432 HB1 ALA 57 HB1 ALA 57 -11.212 -3.228 0.524 433 HB2 ALA 57 HB2 ALA 57 -12.461 -4.439 0.816 434 HB3 ALA 57 HB3 ALA 57 -12.891 -2.731 0.722 435 H LEU 58 HN LEU 58 -10.123 -2.812 -1.705 436 HA LEU 58 HA LEU 58 -10.654 -0.092 -2.179 437 HB2 LEU 58 HB2 LEU 58 -8.340 -1.809 -3.058 438 HB3 LEU 58 HB1 LEU 58 -8.397 -0.069 -3.266 439 HG LEU 58 HG LEU 58 -8.277 -1.604 -0.674 440 HD11 LEU 58 HD11 LEU 58 -6.160 -1.228 -1.863 441 HD12 LEU 58 HD12 LEU 58 -6.234 -0.347 -0.336 442 HD13 LEU 58 HD13 LEU 58 -6.481 0.507 -1.859 443 HD21 LEU 58 HD21 LEU 58 -9.848 0.136 -0.264 444 HD22 LEU 58 HD22 LEU 58 -8.870 1.314 -1.138 445 HD23 LEU 58 HD23 LEU 58 -8.303 0.662 0.401 446 H SER 59 HN SER 59 -10.356 -2.817 -4.437 447 HA SER 59 HA SER 59 -10.644 -1.203 -6.764 448 HB2 SER 59 HB2 SER 59 -11.194 -4.161 -6.400 449 HB3 SER 59 HB1 SER 59 -11.007 -3.330 -7.944 450 HG SER 59 HG SER 59 -9.091 -4.028 -6.031 451 H GLN 60 HN GLN 60 -12.860 -2.667 -4.522 452 HA GLN 60 HA GLN 60 -15.176 -2.513 -6.166 453 HB2 GLN 60 HB2 GLN 60 -14.684 -3.837 -3.931 454 HB3 GLN 60 HB1 GLN 60 -15.358 -2.392 -3.193 455 HG2 GLN 60 HG2 GLN 60 -17.417 -2.676 -4.422 456 HG3 GLN 60 HG1 GLN 60 -16.746 -4.068 -5.269 457 HE21 GLN 60 HE21 GLN 60 -16.326 -3.302 -1.863 458 HE22 GLN 60 HE22 GLN 60 -17.183 -4.680 -1.261 459 H ARG 61 HN ARG 61 -13.939 -0.467 -3.506 460 HA ARG 61 HA ARG 61 -15.997 1.460 -3.765 461 HB2 ARG 61 HB2 ARG 61 -14.444 2.948 -2.448 462 HB3 ARG 61 HB1 ARG 61 -14.839 1.412 -1.696 463 HG2 ARG 61 HG2 ARG 61 -12.698 0.501 -2.395 464 HG3 ARG 61 HG1 ARG 61 -12.297 2.032 -3.176 465 HD2 ARG 61 HD2 ARG 61 -13.045 1.949 -0.282 466 HD3 ARG 61 HD1 ARG 61 -11.406 1.546 -0.791 467 HE ARG 61 HE ARG 61 -11.472 3.832 -1.907 468 HH11 ARG 61 HH11 ARG 61 -13.261 3.094 1.026 469 HH12 ARG 61 HH12 ARG 61 -13.245 4.733 1.587 470 HH21 ARG 61 HH21 ARG 61 -11.421 5.974 -1.141 471 HH22 ARG 61 HH22 ARG 61 -12.206 6.362 0.368 472 H ALA 62 HN ALA 62 -13.054 0.923 -5.499 473 HA ALA 62 HA ALA 62 -12.809 3.543 -6.598 474 HB1 ALA 62 HB1 ALA 62 -11.755 0.920 -7.652 475 HB2 ALA 62 HB2 ALA 62 -10.927 1.983 -6.514 476 HB3 ALA 62 HB3 ALA 62 -11.241 2.528 -8.161 477 H MET 63 HN MET 63 -14.614 0.667 -7.468 478 HA MET 63 HA MET 63 -15.376 1.791 -10.040 479 HB2 MET 63 HB2 MET 63 -16.380 -0.293 -10.535 480 HB3 MET 63 HB1 MET 63 -14.889 -0.674 -9.688 481 HG2 MET 63 HG2 MET 63 -16.126 -1.086 -7.642 482 HG3 MET 63 HG1 MET 63 -17.630 -0.645 -8.447 483 HE1 MET 63 HE1 MET 63 -14.526 -2.796 -9.564 484 HE2 MET 63 HE2 MET 63 -15.154 -4.432 -9.372 485 HE3 MET 63 HE3 MET 63 -14.883 -3.423 -7.953 486 H ILE 64 HN ILE 64 -16.452 1.856 -6.847 487 HA ILE 64 HA ILE 64 -19.237 2.354 -7.575 488 HB ILE 64 HB ILE 64 -17.865 1.989 -4.916 489 HG12 ILE 64 HG12 ILE 64 -20.106 0.484 -6.284 490 HG13 ILE 64 HG11 ILE 64 -18.423 -0.028 -6.226 491 HG21 ILE 64 HG21 ILE 64 -20.298 2.143 -4.036 492 HG22 ILE 64 HG22 ILE 64 -20.587 3.088 -5.497 493 HG23 ILE 64 HG23 ILE 64 -19.388 3.626 -4.319 494 HD11 ILE 64 HD11 ILE 64 -19.669 -1.262 -4.608 495 HD12 ILE 64 HD12 ILE 64 -20.326 0.218 -3.907 496 HD13 ILE 64 HD13 ILE 64 -18.605 -0.143 -3.757 497 H LEU 65 HN LEU 65 -16.601 3.992 -5.802 498 HA LEU 65 HA LEU 65 -18.069 6.473 -5.735 499 HB2 LEU 65 HB2 LEU 65 -15.838 5.363 -4.370 500 HB3 LEU 65 HB1 LEU 65 -15.308 6.849 -5.136 501 HG LEU 65 HG LEU 65 -17.223 8.023 -4.038 502 HD11 LEU 65 HD11 LEU 65 -17.495 5.392 -2.598 503 HD12 LEU 65 HD12 LEU 65 -18.694 6.154 -3.643 504 HD13 LEU 65 HD13 LEU 65 -18.263 6.899 -2.103 505 HD21 LEU 65 HD21 LEU 65 -15.247 6.648 -2.226 506 HD22 LEU 65 HD22 LEU 65 -16.167 8.101 -1.835 507 HD23 LEU 65 HD23 LEU 65 -14.972 8.137 -3.131 508 H GLY 66 HN GLY 66 -15.466 5.059 -7.619 509 HA2 GLY 66 HA2 GLY 66 -15.238 5.771 -9.928 510 HA3 GLY 66 HA1 GLY 66 -15.619 7.405 -9.399 511 H LYS 67 HN LYS 67 -13.967 7.590 -7.172 512 HA LYS 67 HA LYS 67 -11.477 8.161 -8.435 513 HB2 LYS 67 HB2 LYS 67 -10.742 8.815 -6.124 514 HB3 LYS 67 HB1 LYS 67 -12.176 9.647 -6.705 515 HG2 LYS 67 HG2 LYS 67 -13.548 8.641 -5.189 516 HG3 LYS 67 HG1 LYS 67 -12.551 7.190 -5.084 517 HD2 LYS 67 HD2 LYS 67 -12.375 8.386 -3.004 518 HD3 LYS 67 HD1 LYS 67 -10.841 8.525 -3.858 519 HE2 LYS 67 HE2 LYS 67 -12.823 10.664 -4.351 520 HE3 LYS 67 HE1 LYS 67 -12.112 10.617 -2.742 521 HZ1 LYS 67 HZ1 LYS 67 -10.629 10.803 -5.310 522 HZ2 LYS 67 HZ2 LYS 67 -9.909 10.668 -3.789 523 HZ3 LYS 67 HZ3 LYS 67 -10.823 12.036 -4.171 524 H SER 68 HN SER 68 -9.774 6.897 -8.661 525 HA SER 68 HA SER 68 -9.699 4.396 -7.113 526 HB2 SER 68 HB2 SER 68 -8.187 4.896 -9.672 527 HB3 SER 68 HB1 SER 68 -8.657 3.354 -8.952 528 HG SER 68 HG SER 68 -10.596 5.231 -9.778 529 H GLY 69 HN GLY 69 -8.632 7.130 -6.392 530 HA2 GLY 69 HA2 GLY 69 -5.844 7.237 -6.575 531 HA3 GLY 69 HA1 GLY 69 -6.798 7.977 -5.299 532 H GLU 70 HN GLU 70 -7.900 5.697 -4.155 533 HA GLU 70 HA GLU 70 -5.846 4.868 -2.418 534 HB2 GLU 70 HB2 GLU 70 -8.625 3.806 -2.921 535 HB3 GLU 70 HB1 GLU 70 -7.572 3.150 -1.678 536 HG2 GLU 70 HG2 GLU 70 -8.962 4.653 -0.563 537 HG3 GLU 70 HG1 GLU 70 -7.438 5.516 -0.756 538 H LEU 71 HN LEU 71 -7.134 3.534 -5.367 539 HA LEU 71 HA LEU 71 -5.892 0.957 -5.060 540 HB2 LEU 71 HB2 LEU 71 -7.833 2.122 -6.758 541 HB3 LEU 71 HB1 LEU 71 -6.526 1.570 -7.788 542 HG LEU 71 HG LEU 71 -8.127 -0.114 -5.860 543 HD11 LEU 71 HD11 LEU 71 -8.829 -1.255 -7.936 544 HD12 LEU 71 HD12 LEU 71 -7.978 -0.023 -8.868 545 HD13 LEU 71 HD13 LEU 71 -9.353 0.425 -7.859 546 HD21 LEU 71 HD21 LEU 71 -6.859 -2.010 -6.852 547 HD22 LEU 71 HD22 LEU 71 -5.869 -0.937 -5.864 548 HD23 LEU 71 HD23 LEU 71 -5.790 -0.838 -7.624 549 H LYS 72 HN LYS 72 -5.164 3.995 -6.651 550 HA LYS 72 HA LYS 72 -3.098 3.233 -8.344 551 HB2 LYS 72 HB2 LYS 72 -3.462 5.790 -6.777 552 HB3 LYS 72 HB1 LYS 72 -2.255 5.579 -8.036 553 HG2 LYS 72 HG2 LYS 72 -5.179 5.157 -8.556 554 HG3 LYS 72 HG1 LYS 72 -4.424 6.746 -8.665 555 HD2 LYS 72 HD2 LYS 72 -3.449 4.339 -10.190 556 HD3 LYS 72 HD1 LYS 72 -4.619 5.491 -10.835 557 HE2 LYS 72 HE2 LYS 72 -2.953 7.297 -10.448 558 HE3 LYS 72 HE1 LYS 72 -1.787 6.063 -9.982 559 HZ1 LYS 72 HZ1 LYS 72 -2.393 5.062 -12.269 560 HZ2 LYS 72 HZ2 LYS 72 -1.313 6.358 -12.189 561 HZ3 LYS 72 HZ3 LYS 72 -2.924 6.627 -12.629 562 H THR 73 HN THR 73 -2.830 4.460 -5.020 563 HA THR 73 HA THR 73 -0.047 4.027 -4.814 564 HB THR 73 HB THR 73 -1.833 4.036 -2.406 565 HG1 THR 73 HG1 THR 73 -1.431 6.142 -4.269 566 HG21 THR 73 HG21 THR 73 0.747 5.486 -3.025 567 HG22 THR 73 HG22 THR 73 0.643 3.936 -2.188 568 HG23 THR 73 HG23 THR 73 -0.058 5.382 -1.460 569 H TRP 74 HN TRP 74 -2.862 2.069 -3.953 570 HA TRP 74 HA TRP 74 -1.549 0.092 -2.472 571 HB2 TRP 74 HB2 TRP 74 -3.996 0.324 -2.521 572 HB3 TRP 74 HB1 TRP 74 -4.012 -0.195 -4.204 573 HD1 TRP 74 HD1 TRP 74 -4.731 -2.637 -4.424 574 HE1 TRP 74 HE1 TRP 74 -4.477 -4.790 -3.026 575 HE3 TRP 74 HE3 TRP 74 -2.079 -0.735 -0.485 576 HZ2 TRP 74 HZ2 TRP 74 -3.300 -5.566 -0.590 577 HZ3 TRP 74 HZ3 TRP 74 -1.427 -2.250 1.336 578 HH2 TRP 74 HH2 TRP 74 -2.023 -4.622 1.286 579 H GLY 75 HN GLY 75 -2.385 0.113 -5.945 580 HA2 GLY 75 HA2 GLY 75 -1.323 -2.373 -6.602 581 HA3 GLY 75 HA1 GLY 75 -1.447 -1.021 -7.714 582 H LEU 76 HN LEU 76 0.323 0.739 -6.368 583 HA LEU 76 HA LEU 76 2.784 -0.145 -7.445 584 HB2 LEU 76 HB2 LEU 76 2.176 2.132 -5.563 585 HB3 LEU 76 HB1 LEU 76 3.709 1.888 -6.373 586 HG LEU 76 HG LEU 76 1.106 2.324 -7.832 587 HD11 LEU 76 HD11 LEU 76 1.703 4.289 -6.478 588 HD12 LEU 76 HD12 LEU 76 1.842 4.600 -8.208 589 HD13 LEU 76 HD13 LEU 76 3.292 4.318 -7.247 590 HD21 LEU 76 HD21 LEU 76 2.766 1.158 -9.149 591 HD22 LEU 76 HD22 LEU 76 3.982 2.366 -8.735 592 HD23 LEU 76 HD23 LEU 76 2.595 2.813 -9.731 593 H VAL 77 HN VAL 77 1.631 0.199 -4.106 594 HA VAL 77 HA VAL 77 4.047 -0.704 -2.903 595 HB VAL 77 HB VAL 77 1.234 -0.581 -1.792 596 HG11 VAL 77 HG11 VAL 77 3.863 -1.037 -0.385 597 HG12 VAL 77 HG12 VAL 77 2.489 -2.140 -0.464 598 HG13 VAL 77 HG13 VAL 77 2.355 -0.627 0.430 599 HG21 VAL 77 HG21 VAL 77 2.024 1.468 -0.687 600 HG22 VAL 77 HG22 VAL 77 2.084 1.598 -2.446 601 HG23 VAL 77 HG23 VAL 77 3.565 1.316 -1.530 602 H LEU 78 HN LEU 78 0.922 -2.282 -3.505 603 HA LEU 78 HA LEU 78 1.496 -4.771 -2.387 604 HB2 LEU 78 HB2 LEU 78 -0.753 -4.121 -2.937 605 HB3 LEU 78 HB1 LEU 78 -0.355 -4.004 -4.640 606 HG LEU 78 HG LEU 78 0.041 -6.455 -4.680 607 HD11 LEU 78 HD11 LEU 78 -1.060 -6.344 -1.875 608 HD12 LEU 78 HD12 LEU 78 0.584 -6.789 -2.332 609 HD13 LEU 78 HD13 LEU 78 -0.770 -7.810 -2.812 610 HD21 LEU 78 HD21 LEU 78 -2.314 -7.082 -4.582 611 HD22 LEU 78 HD22 LEU 78 -2.101 -5.517 -5.367 612 HD23 LEU 78 HD23 LEU 78 -2.677 -5.597 -3.702 613 H GLY 79 HN GLY 79 1.856 -3.701 -5.765 614 HA2 GLY 79 HA2 GLY 79 2.700 -6.140 -6.836 615 HA3 GLY 79 HA1 GLY 79 3.107 -4.562 -7.490 616 H ALA 80 HN ALA 80 4.588 -3.578 -5.303 617 HA ALA 80 HA ALA 80 7.124 -4.697 -5.878 618 HB1 ALA 80 HB1 ALA 80 6.304 -2.796 -3.686 619 HB2 ALA 80 HB2 ALA 80 6.860 -2.353 -5.301 620 HB3 ALA 80 HB3 ALA 80 7.963 -3.145 -4.174 621 H LEU 81 HN LEU 81 4.985 -4.888 -3.057 622 HA LEU 81 HA LEU 81 6.754 -6.438 -1.472 623 HB2 LEU 81 HB2 LEU 81 3.757 -6.107 -1.322 624 HB3 LEU 81 HB1 LEU 81 4.727 -6.909 -0.102 625 HG LEU 81 HG LEU 81 4.995 -4.005 -0.893 626 HD11 LEU 81 HD11 LEU 81 3.996 -3.524 1.275 627 HD12 LEU 81 HD12 LEU 81 3.784 -5.249 1.571 628 HD13 LEU 81 HD13 LEU 81 2.895 -4.465 0.267 629 HD21 LEU 81 HD21 LEU 81 7.101 -4.878 -0.130 630 HD22 LEU 81 HD22 LEU 81 6.331 -5.632 1.265 631 HD23 LEU 81 HD23 LEU 81 6.405 -3.874 1.140 632 H LYS 82 HN LYS 82 4.348 -7.228 -3.879 633 HA LYS 82 HA LYS 82 4.012 -9.954 -3.361 634 HB2 LYS 82 HB2 LYS 82 3.796 -8.246 -5.801 635 HB3 LYS 82 HB1 LYS 82 3.777 -9.991 -6.001 636 HG2 LYS 82 HG2 LYS 82 1.839 -10.166 -4.552 637 HG3 LYS 82 HG1 LYS 82 1.874 -8.422 -4.269 638 HD2 LYS 82 HD2 LYS 82 1.329 -7.949 -6.522 639 HD3 LYS 82 HD1 LYS 82 1.632 -9.613 -7.022 640 HE2 LYS 82 HE2 LYS 82 -0.282 -10.315 -5.587 641 HE3 LYS 82 HE1 LYS 82 -0.622 -8.610 -5.290 642 HZ1 LYS 82 HZ1 LYS 82 -0.954 -8.301 -7.664 643 HZ2 LYS 82 HZ2 LYS 82 -1.997 -9.491 -7.065 644 HZ3 LYS 82 HZ3 LYS 82 -0.623 -9.936 -7.945 645 H ALA 83 HN ALA 83 6.296 -8.332 -5.544 646 HA ALA 83 HA ALA 83 7.703 -10.697 -6.240 647 HB1 ALA 83 HB1 ALA 83 8.595 -7.822 -6.422 648 HB2 ALA 83 HB2 ALA 83 7.694 -8.700 -7.655 649 HB3 ALA 83 HB3 ALA 83 9.337 -9.195 -7.244 650 H ALA 84 HN ALA 84 8.075 -8.292 -3.710 651 HA ALA 84 HA ALA 84 10.674 -8.960 -2.866 652 HB1 ALA 84 HB1 ALA 84 8.416 -7.868 -1.188 653 HB2 ALA 84 HB2 ALA 84 9.494 -6.904 -2.199 654 HB3 ALA 84 HB3 ALA 84 10.140 -7.788 -0.818 655 H ARG 85 HN ARG 85 7.567 -10.437 -2.244 656 HA ARG 85 HA ARG 85 8.691 -12.137 -0.166 657 HB2 ARG 85 HB2 ARG 85 5.947 -11.545 -1.148 658 HB3 ARG 85 HB1 ARG 85 6.230 -13.118 -0.413 659 HG2 ARG 85 HG2 ARG 85 7.350 -11.687 1.478 660 HG3 ARG 85 HG1 ARG 85 6.335 -10.407 0.807 661 HD2 ARG 85 HD2 ARG 85 4.351 -11.671 1.206 662 HD3 ARG 85 HD1 ARG 85 5.282 -13.110 1.613 663 HE ARG 85 HE ARG 85 5.209 -10.668 3.271 664 HH11 ARG 85 HH11 ARG 85 5.501 -14.423 4.668 665 HH12 ARG 85 HH12 ARG 85 5.443 -14.153 2.955 666 HH21 ARG 85 HH21 ARG 85 5.397 -12.650 6.119 667 HH22 ARG 85 HH22 ARG 85 5.247 -11.031 5.513 668 H GLU 86 HN GLU 86 8.643 -12.180 -3.467 669 HA GLU 86 HA GLU 86 8.201 -15.027 -3.789 670 HB2 GLU 86 HB2 GLU 86 9.080 -12.864 -5.707 671 HB3 GLU 86 HB1 GLU 86 8.979 -14.557 -6.161 672 HG2 GLU 86 HG2 GLU 86 6.563 -14.485 -5.464 673 HG3 GLU 86 HG1 GLU 86 6.742 -12.735 -5.339 674 H GLU 87 HN GLU 87 10.803 -12.801 -3.363 675 HA GLU 87 HA GLU 87 12.876 -14.650 -4.118 676 HB2 GLU 87 HB2 GLU 87 12.950 -11.957 -2.746 677 HB3 GLU 87 HB1 GLU 87 14.381 -12.871 -3.204 678 HG2 GLU 87 HG2 GLU 87 12.311 -12.126 -5.229 679 HG3 GLU 87 HG1 GLU 87 13.578 -10.995 -4.750 680 H1 FGV 101 H1 IP3 1 13.214 10.034 -0.767 681 H2 FGV 101 H2 IP3 1 13.297 8.587 1.229 682 H3 FGV 101 H3 IP3 1 12.592 10.927 1.535 683 H4 FGV 101 H4 IP3 1 9.734 9.878 1.186 684 H5 FGV 101 H5 IP3 1 11.381 11.784 -0.547 685 H6 FGV 101 H6 IP3 1 10.374 8.958 -1.150 686 H11 FGV 101 H11 IP3 1 14.315 6.584 -3.201 687 H12 FGV 101 H12 IP3 1 11.423 7.413 0.140 688 H14 FGV 101 H14 IP3 1 9.986 12.500 1.062 689 H16 FGV 101 H16 IP3 1 11.070 11.048 -2.629 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 2.617 6.583 9.056 2 H2 SER 1 HT2 SER 1 2.030 5.438 10.156 3 H3 SER 1 HT3 SER 1 3.596 5.293 9.541 4 HA SER 1 HA SER 1 2.683 7.577 11.163 5 HB2 SER 1 HB2 SER 1 4.508 5.571 12.351 6 HB3 SER 1 HB1 SER 1 3.198 6.489 13.096 7 HG SER 1 HG SER 1 1.879 4.891 12.722 8 H GLU 2 HN GLU 2 5.690 5.628 10.793 9 HA GLU 2 HA GLU 2 7.018 7.867 9.553 10 HB2 GLU 2 HB2 GLU 2 8.821 7.630 11.518 11 HB3 GLU 2 HB1 GLU 2 7.519 8.809 11.550 12 HG2 GLU 2 HG2 GLU 2 6.247 7.527 13.048 13 HG3 GLU 2 HG1 GLU 2 7.229 6.091 12.774 14 H ALA 3 HN ALA 3 8.594 5.499 11.610 15 HA ALA 3 HA ALA 3 10.612 4.825 9.896 16 HB1 ALA 3 HB1 ALA 3 10.991 2.872 11.291 17 HB2 ALA 3 HB2 ALA 3 9.380 3.052 11.988 18 HB3 ALA 3 HB3 ALA 3 10.604 4.291 12.261 19 H VAL 4 HN VAL 4 7.586 2.953 10.292 20 HA VAL 4 HA VAL 4 8.277 0.905 8.504 21 HB VAL 4 HB VAL 4 5.469 1.866 9.043 22 HG11 VAL 4 HG11 VAL 4 6.542 -0.839 8.254 23 HG12 VAL 4 HG12 VAL 4 5.623 0.262 7.225 24 HG13 VAL 4 HG13 VAL 4 4.858 -0.473 8.635 25 HG21 VAL 4 HG21 VAL 4 6.515 1.553 11.170 26 HG22 VAL 4 HG22 VAL 4 7.227 0.027 10.652 27 HG23 VAL 4 HG23 VAL 4 5.482 0.158 10.862 28 H ILE 5 HN ILE 5 7.102 4.125 7.875 29 HA ILE 5 HA ILE 5 6.084 3.673 5.272 30 HB ILE 5 HB ILE 5 7.241 6.213 6.432 31 HG12 ILE 5 HG12 ILE 5 4.381 5.234 6.243 32 HG13 ILE 5 HG11 ILE 5 5.333 5.369 7.719 33 HG21 ILE 5 HG21 ILE 5 5.516 5.793 3.993 34 HG22 ILE 5 HG22 ILE 5 7.203 6.307 4.006 35 HG23 ILE 5 HG23 ILE 5 5.956 7.357 4.678 36 HD11 ILE 5 HD11 ILE 5 4.436 7.632 5.955 37 HD12 ILE 5 HD12 ILE 5 5.454 7.805 7.385 38 HD13 ILE 5 HD13 ILE 5 3.797 7.216 7.545 39 H LYS 6 HN LYS 6 9.261 4.788 6.427 40 HA LYS 6 HA LYS 6 10.424 5.054 3.881 41 HB2 LYS 6 HB2 LYS 6 11.273 5.311 6.591 42 HB3 LYS 6 HB1 LYS 6 12.441 4.302 5.744 43 HG2 LYS 6 HG2 LYS 6 11.540 7.049 4.893 44 HG3 LYS 6 HG1 LYS 6 13.067 6.654 5.680 45 HD2 LYS 6 HD2 LYS 6 12.448 5.133 3.226 46 HD3 LYS 6 HD1 LYS 6 12.759 6.855 3.004 47 HE2 LYS 6 HE2 LYS 6 14.614 5.212 4.674 48 HE3 LYS 6 HE1 LYS 6 14.725 5.136 2.916 49 HZ1 LYS 6 HZ1 LYS 6 15.045 7.533 4.636 50 HZ2 LYS 6 HZ2 LYS 6 14.934 7.604 2.951 51 HZ3 LYS 6 HZ3 LYS 6 16.227 6.797 3.675 52 H VAL 7 HN VAL 7 10.062 2.294 6.023 53 HA VAL 7 HA VAL 7 11.857 0.537 4.785 54 HB VAL 7 HB VAL 7 9.217 -0.183 6.080 55 HG11 VAL 7 HG11 VAL 7 10.317 -2.335 6.549 56 HG12 VAL 7 HG12 VAL 7 11.709 -1.809 5.600 57 HG13 VAL 7 HG13 VAL 7 10.141 -2.027 4.822 58 HG21 VAL 7 HG21 VAL 7 10.580 1.169 7.578 59 HG22 VAL 7 HG22 VAL 7 11.956 0.095 7.315 60 HG23 VAL 7 HG23 VAL 7 10.513 -0.502 8.133 61 H ILE 8 HN ILE 8 8.426 1.162 4.162 62 HA ILE 8 HA ILE 8 8.245 -0.678 1.982 63 HB ILE 8 HB ILE 8 6.425 1.612 2.734 64 HG12 ILE 8 HG12 ILE 8 6.675 -0.079 4.521 65 HG13 ILE 8 HG11 ILE 8 5.051 -0.062 3.848 66 HG21 ILE 8 HG21 ILE 8 5.692 -0.789 1.086 67 HG22 ILE 8 HG22 ILE 8 6.294 0.702 0.365 68 HG23 ILE 8 HG23 ILE 8 4.796 0.716 1.294 69 HD11 ILE 8 HD11 ILE 8 5.610 -2.036 2.499 70 HD12 ILE 8 HD12 ILE 8 5.774 -2.324 4.232 71 HD13 ILE 8 HD13 ILE 8 7.209 -2.064 3.242 72 H SER 9 HN SER 9 8.710 2.810 2.300 73 HA SER 9 HA SER 9 8.474 3.535 -0.376 74 HB2 SER 9 HB2 SER 9 8.685 5.050 1.680 75 HB3 SER 9 HB1 SER 9 10.427 4.823 1.530 76 HG SER 9 HG SER 9 10.353 6.346 0.093 77 H SER 10 HN SER 10 11.488 2.855 1.437 78 HA SER 10 HA SER 10 13.225 3.009 -0.735 79 HB2 SER 10 HB2 SER 10 13.517 1.233 1.698 80 HB3 SER 10 HB1 SER 10 14.815 1.811 0.654 81 HG SER 10 HG SER 10 14.103 2.966 2.782 82 H ALA 11 HN ALA 11 11.203 0.373 0.375 83 HA ALA 11 HA ALA 11 12.391 -1.695 -1.126 84 HB1 ALA 11 HB1 ALA 11 10.851 -2.117 0.728 85 HB2 ALA 11 HB2 ALA 11 10.321 -2.920 -0.748 86 HB3 ALA 11 HB3 ALA 11 9.526 -1.438 -0.219 87 H CYS 12 HN CYS 12 9.519 0.323 -1.845 88 HA CYS 12 HA CYS 12 9.168 -0.780 -4.432 89 HB2 CYS 12 HB2 CYS 12 7.633 1.097 -4.846 90 HB3 CYS 12 HB1 CYS 12 7.312 0.304 -3.311 91 HG CYS 12 HG CYS 12 9.298 2.641 -2.466 92 H LYS 13 HN LYS 13 11.337 1.587 -3.212 93 HA LYS 13 HA LYS 13 11.830 2.981 -5.645 94 HB2 LYS 13 HB2 LYS 13 13.594 2.607 -3.215 95 HB3 LYS 13 HB1 LYS 13 13.936 3.714 -4.535 96 HG2 LYS 13 HG2 LYS 13 11.442 3.871 -2.869 97 HG3 LYS 13 HG1 LYS 13 12.933 4.728 -2.470 98 HD2 LYS 13 HD2 LYS 13 12.825 5.999 -4.493 99 HD3 LYS 13 HD1 LYS 13 11.496 5.010 -5.108 100 HE2 LYS 13 HE2 LYS 13 9.976 5.900 -3.555 101 HE3 LYS 13 HE1 LYS 13 11.262 6.570 -2.554 102 HZ1 LYS 13 HZ1 LYS 13 10.293 8.347 -3.724 103 HZ2 LYS 13 HZ2 LYS 13 10.347 7.525 -5.198 104 HZ3 LYS 13 HZ3 LYS 13 11.780 8.056 -4.474 105 H THR 14 HN THR 14 12.776 -0.085 -4.399 106 HA THR 14 HA THR 14 14.986 -0.340 -6.280 107 HB THR 14 HB THR 14 14.119 -2.676 -4.666 108 HG1 THR 14 HG1 THR 14 14.856 -0.193 -3.576 109 HG21 THR 14 HG21 THR 14 16.782 -1.359 -5.197 110 HG22 THR 14 HG22 THR 14 16.132 -2.772 -6.031 111 HG23 THR 14 HG23 THR 14 16.548 -2.865 -4.318 112 H TYR 15 HN TYR 15 11.820 -1.809 -5.618 113 HA TYR 15 HA TYR 15 12.027 -3.591 -7.866 114 HB2 TYR 15 HB2 TYR 15 9.652 -2.996 -6.088 115 HB3 TYR 15 HB1 TYR 15 9.769 -4.324 -7.239 116 HD1 TYR 15 HD1 TYR 15 10.295 -3.334 -3.889 117 HD2 TYR 15 HD2 TYR 15 11.761 -5.973 -6.882 118 HE1 TYR 15 HE1 TYR 15 11.344 -4.713 -2.149 119 HE2 TYR 15 HE2 TYR 15 12.810 -7.372 -5.145 120 HH TYR 15 HH TYR 15 12.223 -6.830 -1.746 121 H CYS 16 HN CYS 16 10.110 -0.668 -7.141 122 HA CYS 16 HA CYS 16 9.075 -0.712 -9.874 123 HB2 CYS 16 HB2 CYS 16 8.425 1.282 -7.703 124 HB3 CYS 16 HB1 CYS 16 7.507 0.948 -9.169 125 HG CYS 16 HG CYS 16 6.520 -1.463 -8.387 126 H GLY 17 HN GLY 17 11.537 0.764 -8.033 127 HA2 GLY 17 HA2 GLY 17 13.229 2.182 -8.692 128 HA3 GLY 17 HA1 GLY 17 12.541 2.168 -10.310 129 H LYS 18 HN LYS 18 12.267 4.220 -10.911 130 HA LYS 18 HA LYS 18 11.628 6.284 -8.994 131 HB2 LYS 18 HB2 LYS 18 11.871 7.821 -10.828 132 HB3 LYS 18 HB1 LYS 18 13.180 6.652 -10.906 133 HG2 LYS 18 HG2 LYS 18 11.241 5.510 -12.484 134 HG3 LYS 18 HG1 LYS 18 11.083 7.232 -12.829 135 HD2 LYS 18 HD2 LYS 18 13.651 5.657 -12.955 136 HD3 LYS 18 HD1 LYS 18 12.670 6.116 -14.346 137 HE2 LYS 18 HE2 LYS 18 13.089 8.436 -13.968 138 HE3 LYS 18 HE1 LYS 18 13.849 8.105 -12.414 139 HZ1 LYS 18 HZ1 LYS 18 14.882 7.429 -15.107 140 HZ2 LYS 18 HZ2 LYS 18 15.555 6.821 -13.678 141 HZ3 LYS 18 HZ3 LYS 18 15.566 8.485 -13.976 142 H THR 19 HN THR 19 9.877 4.063 -10.743 143 HA THR 19 HA THR 19 7.533 5.723 -11.147 144 HB THR 19 HB THR 19 6.995 2.924 -11.499 145 HG1 THR 19 HG1 THR 19 9.088 2.427 -11.902 146 HG21 THR 19 HG21 THR 19 5.922 4.848 -12.666 147 HG22 THR 19 HG22 THR 19 6.516 3.607 -13.769 148 HG23 THR 19 HG23 THR 19 7.426 5.102 -13.549 149 H SER 20 HN SER 20 8.669 5.133 -8.464 150 HA SER 20 HA SER 20 6.694 3.463 -7.156 151 HB2 SER 20 HB2 SER 20 8.085 4.281 -5.105 152 HB3 SER 20 HB1 SER 20 8.835 3.167 -6.251 153 HG SER 20 HG SER 20 10.200 4.671 -6.822 154 HA PRO 21 HA PRO 21 4.072 6.793 -5.814 155 HB2 PRO 21 HB2 PRO 21 3.241 5.932 -3.382 156 HB3 PRO 21 HB1 PRO 21 2.715 5.157 -4.889 157 HG2 PRO 21 HG2 PRO 21 4.806 4.288 -2.955 158 HG3 PRO 21 HG1 PRO 21 3.591 3.324 -3.816 159 HD2 PRO 21 HD2 PRO 21 6.190 3.496 -4.607 160 HD3 PRO 21 HD1 PRO 21 4.845 3.199 -5.724 161 H SER 22 HN SER 22 3.737 8.413 -4.071 162 HA SER 22 HA SER 22 6.323 9.163 -2.926 163 HB2 SER 22 HB2 SER 22 5.210 11.370 -2.533 164 HB3 SER 22 HB1 SER 22 5.231 10.886 -4.229 165 HG SER 22 HG SER 22 3.066 10.222 -4.012 166 H LYS 23 HN LYS 23 6.281 10.212 -0.739 167 HA LYS 23 HA LYS 23 5.356 8.406 1.207 168 HB2 LYS 23 HB2 LYS 23 7.301 9.921 1.469 169 HB3 LYS 23 HB1 LYS 23 6.202 11.289 1.534 170 HG2 LYS 23 HG2 LYS 23 5.272 10.505 3.609 171 HG3 LYS 23 HG1 LYS 23 6.236 9.030 3.518 172 HD2 LYS 23 HD2 LYS 23 8.285 10.332 3.667 173 HD3 LYS 23 HD1 LYS 23 7.351 11.828 3.694 174 HE2 LYS 23 HE2 LYS 23 6.361 11.215 5.806 175 HE3 LYS 23 HE1 LYS 23 7.161 9.644 5.760 176 HZ1 LYS 23 HZ1 LYS 23 8.517 12.278 5.912 177 HZ2 LYS 23 HZ2 LYS 23 9.293 10.778 5.852 178 HZ3 LYS 23 HZ3 LYS 23 8.334 11.182 7.185 179 H LYS 24 HN LYS 24 4.051 11.366 -0.103 180 HA LYS 24 HA LYS 24 2.035 11.904 1.755 181 HB2 LYS 24 HB2 LYS 24 1.975 12.377 -1.233 182 HB3 LYS 24 HB1 LYS 24 0.957 13.172 -0.043 183 HG2 LYS 24 HG2 LYS 24 2.811 14.340 0.881 184 HG3 LYS 24 HG1 LYS 24 3.955 13.385 -0.063 185 HD2 LYS 24 HD2 LYS 24 1.860 15.086 -1.377 186 HD3 LYS 24 HD1 LYS 24 3.417 15.750 -0.887 187 HE2 LYS 24 HE2 LYS 24 3.170 13.321 -2.642 188 HE3 LYS 24 HE1 LYS 24 3.223 14.959 -3.294 189 HZ1 LYS 24 HZ1 LYS 24 5.371 15.253 -2.175 190 HZ2 LYS 24 HZ2 LYS 24 5.409 13.998 -3.305 191 HZ3 LYS 24 HZ3 LYS 24 5.325 13.645 -1.658 192 H GLU 25 HN GLU 25 2.033 9.908 -1.158 193 HA GLU 25 HA GLU 25 -0.689 9.145 -1.035 194 HB2 GLU 25 HB2 GLU 25 1.671 7.793 -2.345 195 HB3 GLU 25 HB1 GLU 25 -0.011 7.354 -2.608 196 HG2 GLU 25 HG2 GLU 25 -0.473 9.437 -3.648 197 HG3 GLU 25 HG1 GLU 25 1.098 10.083 -3.171 198 H ILE 26 HN ILE 26 2.296 7.494 -0.054 199 HA ILE 26 HA ILE 26 1.186 5.118 0.867 200 HB ILE 26 HB ILE 26 3.623 6.555 1.943 201 HG12 ILE 26 HG12 ILE 26 3.392 4.356 -0.130 202 HG13 ILE 26 HG11 ILE 26 3.666 6.057 -0.497 203 HG21 ILE 26 HG21 ILE 26 2.873 4.885 3.522 204 HG22 ILE 26 HG22 ILE 26 4.325 4.306 2.705 205 HG23 ILE 26 HG23 ILE 26 2.743 3.683 2.237 206 HD11 ILE 26 HD11 ILE 26 5.771 5.932 0.812 207 HD12 ILE 26 HD12 ILE 26 5.745 4.900 -0.619 208 HD13 ILE 26 HD13 ILE 26 5.506 4.195 0.982 209 H GLY 27 HN GLY 27 1.829 8.121 2.658 210 HA2 GLY 27 HA2 GLY 27 0.877 7.207 5.153 211 HA3 GLY 27 HA1 GLY 27 1.009 8.888 4.658 212 H ALA 28 HN ALA 28 -0.775 8.833 2.473 213 HA ALA 28 HA ALA 28 -3.232 9.206 3.823 214 HB1 ALA 28 HB1 ALA 28 -2.603 10.448 1.804 215 HB2 ALA 28 HB2 ALA 28 -4.164 9.651 1.626 216 HB3 ALA 28 HB3 ALA 28 -2.731 8.964 0.860 217 H MET 29 HN MET 29 -2.038 6.678 1.647 218 HA MET 29 HA MET 29 -4.398 5.144 1.560 219 HB2 MET 29 HB2 MET 29 -2.448 4.912 0.008 220 HB3 MET 29 HB1 MET 29 -1.553 4.146 1.312 221 HG2 MET 29 HG2 MET 29 -3.391 2.425 1.404 222 HG3 MET 29 HG1 MET 29 -3.993 3.118 -0.101 223 HE1 MET 29 HE1 MET 29 -0.028 0.844 0.442 224 HE2 MET 29 HE2 MET 29 -1.300 0.988 1.654 225 HE3 MET 29 HE3 MET 29 -0.307 2.388 1.245 226 H LEU 30 HN LEU 30 -1.549 4.986 3.659 227 HA LEU 30 HA LEU 30 -2.230 2.711 5.133 228 HB2 LEU 30 HB2 LEU 30 -0.378 4.958 5.388 229 HB3 LEU 30 HB1 LEU 30 -0.925 4.341 6.936 230 HG LEU 30 HG LEU 30 -0.080 2.136 6.425 231 HD11 LEU 30 HD11 LEU 30 0.976 3.160 3.812 232 HD12 LEU 30 HD12 LEU 30 -0.594 2.368 3.941 233 HD13 LEU 30 HD13 LEU 30 0.870 1.497 4.390 234 HD21 LEU 30 HD21 LEU 30 1.484 3.745 7.372 235 HD22 LEU 30 HD22 LEU 30 1.940 4.270 5.753 236 HD23 LEU 30 HD23 LEU 30 2.307 2.629 6.285 237 H SER 31 HN SER 31 -2.948 6.125 5.737 238 HA SER 31 HA SER 31 -4.341 5.720 8.160 239 HB2 SER 31 HB2 SER 31 -4.690 7.995 6.194 240 HB3 SER 31 HB1 SER 31 -5.058 8.020 7.918 241 HG SER 31 HG SER 31 -2.541 7.982 6.630 242 H LEU 32 HN LEU 32 -5.349 5.754 4.783 243 HA LEU 32 HA LEU 32 -8.138 5.776 5.239 244 HB2 LEU 32 HB2 LEU 32 -6.420 5.765 3.024 245 HB3 LEU 32 HB1 LEU 32 -7.401 4.325 2.850 246 HG LEU 32 HG LEU 32 -8.343 6.261 1.650 247 HD11 LEU 32 HD11 LEU 32 -9.907 4.608 2.258 248 HD12 LEU 32 HD12 LEU 32 -10.636 6.148 2.704 249 HD13 LEU 32 HD13 LEU 32 -9.915 5.121 3.943 250 HD21 LEU 32 HD21 LEU 32 -8.821 7.478 4.364 251 HD22 LEU 32 HD22 LEU 32 -9.208 8.167 2.790 252 HD23 LEU 32 HD23 LEU 32 -7.524 7.974 3.276 253 H LEU 33 HN LEU 33 -5.859 3.108 4.650 254 HA LEU 33 HA LEU 33 -7.785 1.051 4.776 255 HB2 LEU 33 HB2 LEU 33 -4.856 0.868 5.476 256 HB3 LEU 33 HB1 LEU 33 -5.908 -0.468 5.054 257 HG LEU 33 HG LEU 33 -5.008 1.751 3.214 258 HD11 LEU 33 HD11 LEU 33 -3.856 -0.046 2.020 259 HD12 LEU 33 HD12 LEU 33 -4.378 -1.198 3.249 260 HD13 LEU 33 HD13 LEU 33 -3.274 0.106 3.679 261 HD21 LEU 33 HD21 LEU 33 -6.833 -0.587 2.689 262 HD22 LEU 33 HD22 LEU 33 -6.161 0.476 1.452 263 HD23 LEU 33 HD23 LEU 33 -7.272 1.118 2.662 264 H GLN 34 HN GLN 34 -6.095 2.833 7.216 265 HA GLN 34 HA GLN 34 -6.602 1.003 9.358 266 HB2 GLN 34 HB2 GLN 34 -5.203 3.503 8.987 267 HB3 GLN 34 HB1 GLN 34 -6.177 3.549 10.449 268 HG2 GLN 34 HG2 GLN 34 -5.094 1.370 11.097 269 HG3 GLN 34 HG1 GLN 34 -3.988 1.611 9.747 270 HE21 GLN 34 HE21 GLN 34 -3.405 1.469 12.583 271 HE22 GLN 34 HE22 GLN 34 -2.649 2.970 12.998 272 H LYS 35 HN LYS 35 -7.981 4.163 8.432 273 HA LYS 35 HA LYS 35 -9.887 4.167 10.532 274 HB2 LYS 35 HB2 LYS 35 -10.795 6.137 9.540 275 HB3 LYS 35 HB1 LYS 35 -9.049 6.207 9.380 276 HG2 LYS 35 HG2 LYS 35 -9.390 6.700 7.241 277 HG3 LYS 35 HG1 LYS 35 -9.876 5.016 7.027 278 HD2 LYS 35 HD2 LYS 35 -12.170 5.554 7.315 279 HD3 LYS 35 HD1 LYS 35 -11.788 7.185 7.872 280 HE2 LYS 35 HE2 LYS 35 -11.057 7.835 5.702 281 HE3 LYS 35 HE1 LYS 35 -11.115 6.175 5.119 282 HZ1 LYS 35 HZ1 LYS 35 -13.461 7.791 5.951 283 HZ2 LYS 35 HZ2 LYS 35 -13.508 6.195 5.382 284 HZ3 LYS 35 HZ3 LYS 35 -13.010 7.446 4.354 285 H GLU 36 HN GLU 36 -9.896 2.648 7.433 286 HA GLU 36 HA GLU 36 -12.775 2.412 7.331 287 HB2 GLU 36 HB2 GLU 36 -10.538 1.312 5.652 288 HB3 GLU 36 HB1 GLU 36 -12.195 0.759 5.438 289 HG2 GLU 36 HG2 GLU 36 -11.226 3.602 5.175 290 HG3 GLU 36 HG1 GLU 36 -11.621 2.508 3.850 291 H GLY 37 HN GLY 37 -10.369 0.927 9.069 292 HA2 GLY 37 HA2 GLY 37 -10.618 -0.765 10.635 293 HA3 GLY 37 HA1 GLY 37 -12.189 -1.139 9.946 294 H LEU 38 HN LEU 38 -9.874 -0.985 7.524 295 HA LEU 38 HA LEU 38 -10.030 -3.791 7.040 296 HB2 LEU 38 HB2 LEU 38 -8.318 -1.645 5.782 297 HB3 LEU 38 HB1 LEU 38 -8.390 -3.302 5.216 298 HG LEU 38 HG LEU 38 -10.765 -1.442 5.307 299 HD11 LEU 38 HD11 LEU 38 -9.145 -0.615 3.717 300 HD12 LEU 38 HD12 LEU 38 -10.509 -1.342 2.866 301 HD13 LEU 38 HD13 LEU 38 -8.987 -2.222 3.003 302 HD21 LEU 38 HD21 LEU 38 -11.370 -3.797 5.441 303 HD22 LEU 38 HD22 LEU 38 -10.370 -4.146 4.030 304 HD23 LEU 38 HD23 LEU 38 -11.800 -3.128 3.867 305 H LEU 39 HN LEU 39 -7.395 -1.614 7.987 306 HA LEU 39 HA LEU 39 -5.977 -3.959 9.069 307 HB2 LEU 39 HB2 LEU 39 -4.822 -1.489 7.769 308 HB3 LEU 39 HB1 LEU 39 -3.870 -2.672 8.646 309 HG LEU 39 HG LEU 39 -5.397 -3.122 6.080 310 HD11 LEU 39 HD11 LEU 39 -2.444 -3.264 6.675 311 HD12 LEU 39 HD12 LEU 39 -3.254 -1.908 5.892 312 HD13 LEU 39 HD13 LEU 39 -3.221 -3.486 5.108 313 HD21 LEU 39 HD21 LEU 39 -5.648 -5.161 7.144 314 HD22 LEU 39 HD22 LEU 39 -4.108 -5.028 7.992 315 HD23 LEU 39 HD23 LEU 39 -4.136 -5.385 6.265 316 H MET 40 HN MET 40 -4.587 -3.466 10.937 317 HA MET 40 HA MET 40 -5.845 -1.372 12.575 318 HB2 MET 40 HB2 MET 40 -5.981 -3.737 13.383 319 HB3 MET 40 HB1 MET 40 -4.226 -3.747 13.507 320 HG2 MET 40 HG2 MET 40 -4.537 -1.693 15.026 321 HG3 MET 40 HG1 MET 40 -6.215 -2.216 15.132 322 HE1 MET 40 HE1 MET 40 -2.564 -4.582 16.650 323 HE2 MET 40 HE2 MET 40 -2.516 -2.912 16.089 324 HE3 MET 40 HE3 MET 40 -2.812 -4.220 14.941 325 H SER 41 HN SER 41 -2.740 -2.752 11.634 326 HA SER 41 HA SER 41 -1.450 -0.266 12.564 327 HB2 SER 41 HB2 SER 41 0.549 -2.170 12.637 328 HB3 SER 41 HB1 SER 41 -0.364 -1.602 14.035 329 HG SER 41 HG SER 41 -1.477 -3.653 12.477 330 HA PRO 42 HA PRO 42 0.154 0.192 8.462 331 HB2 PRO 42 HB2 PRO 42 2.670 1.171 9.000 332 HB3 PRO 42 HB1 PRO 42 1.191 2.144 9.074 333 HG2 PRO 42 HG2 PRO 42 2.720 0.877 11.286 334 HG3 PRO 42 HG1 PRO 42 1.930 2.465 11.218 335 HD2 PRO 42 HD2 PRO 42 0.817 0.375 12.498 336 HD3 PRO 42 HD1 PRO 42 -0.156 1.601 11.661 337 H SER 43 HN SER 43 1.709 -1.789 10.794 338 HA SER 43 HA SER 43 3.680 -2.903 9.010 339 HB2 SER 43 HB2 SER 43 3.633 -4.590 11.133 340 HB3 SER 43 HB1 SER 43 4.523 -3.066 11.128 341 HG SER 43 HG SER 43 2.550 -3.781 12.732 342 H ASP 44 HN ASP 44 0.379 -3.301 9.395 343 HA ASP 44 HA ASP 44 0.177 -6.140 9.091 344 HB2 ASP 44 HB2 ASP 44 -1.798 -3.883 8.773 345 HB3 ASP 44 HB1 ASP 44 -2.228 -5.553 8.424 346 H LEU 45 HN LEU 45 1.248 -3.827 7.020 347 HA LEU 45 HA LEU 45 0.030 -4.567 4.575 348 HB2 LEU 45 HB2 LEU 45 2.314 -2.915 5.427 349 HB3 LEU 45 HB1 LEU 45 2.488 -3.628 3.836 350 HG LEU 45 HG LEU 45 1.576 -1.379 3.690 351 HD11 LEU 45 HD11 LEU 45 0.905 -3.093 2.045 352 HD12 LEU 45 HD12 LEU 45 -0.306 -1.832 2.272 353 HD13 LEU 45 HD13 LEU 45 -0.536 -3.415 3.013 354 HD21 LEU 45 HD21 LEU 45 0.484 -1.264 5.858 355 HD22 LEU 45 HD22 LEU 45 -0.720 -2.440 5.330 356 HD23 LEU 45 HD23 LEU 45 -0.641 -0.853 4.564 357 H TYR 46 HN TYR 46 2.443 -6.033 6.512 358 HA TYR 46 HA TYR 46 3.654 -7.544 4.364 359 HB2 TYR 46 HB2 TYR 46 4.005 -7.454 7.345 360 HB3 TYR 46 HB1 TYR 46 4.683 -8.785 6.415 361 HD1 TYR 46 HD1 TYR 46 6.324 -8.240 4.560 362 HD2 TYR 46 HD2 TYR 46 5.118 -5.389 7.479 363 HE1 TYR 46 HE1 TYR 46 8.313 -6.887 4.051 364 HE2 TYR 46 HE2 TYR 46 7.103 -4.025 6.975 365 HH TYR 46 HH TYR 46 9.504 -4.581 5.990 366 H SER 47 HN SER 47 0.778 -7.772 5.995 367 HA SER 47 HA SER 47 0.654 -10.620 6.311 368 HB2 SER 47 HB2 SER 47 -1.553 -8.550 6.330 369 HB3 SER 47 HB1 SER 47 -1.713 -10.227 6.851 370 HG SER 47 HG SER 47 -1.234 -8.470 8.487 371 HA PRO 48 HA PRO 48 -0.048 -11.150 1.899 372 HB2 PRO 48 HB2 PRO 48 0.018 -13.885 1.974 373 HB3 PRO 48 HB1 PRO 48 1.468 -12.863 1.928 374 HG2 PRO 48 HG2 PRO 48 0.213 -14.254 4.226 375 HG3 PRO 48 HG1 PRO 48 1.925 -13.992 3.861 376 HD2 PRO 48 HD2 PRO 48 0.540 -12.533 5.695 377 HD3 PRO 48 HD1 PRO 48 1.946 -11.916 4.804 378 H GLY 49 HN GLY 49 -1.811 -13.000 4.377 379 HA2 GLY 49 HA2 GLY 49 -3.907 -13.791 2.616 380 HA3 GLY 49 HA1 GLY 49 -3.943 -13.868 4.370 381 H SER 50 HN SER 50 -3.247 -10.839 4.193 382 HA SER 50 HA SER 50 -6.044 -10.030 4.154 383 HB2 SER 50 HB2 SER 50 -3.653 -8.432 5.071 384 HB3 SER 50 HB1 SER 50 -5.353 -8.098 5.404 385 HG SER 50 HG SER 50 -4.478 -10.618 6.138 386 H TRP 51 HN TRP 51 -3.485 -10.033 2.016 387 HA TRP 51 HA TRP 51 -3.687 -7.480 0.834 388 HB2 TRP 51 HB2 TRP 51 -2.746 -10.136 -0.234 389 HB3 TRP 51 HB1 TRP 51 -2.721 -8.672 -1.207 390 HD1 TRP 51 HD1 TRP 51 -1.765 -6.873 1.468 391 HE1 TRP 51 HE1 TRP 51 0.740 -6.963 2.064 392 HE3 TRP 51 HE3 TRP 51 -0.498 -11.147 -1.032 393 HZ2 TRP 51 HZ2 TRP 51 2.959 -8.622 1.518 394 HZ3 TRP 51 HZ3 TRP 51 1.838 -11.912 -0.950 395 HH2 TRP 51 HH2 TRP 51 3.533 -10.675 0.294 396 H ASP 52 HN ASP 52 -5.263 -10.558 0.038 397 HA ASP 52 HA ASP 52 -6.595 -9.703 -2.262 398 HB2 ASP 52 HB2 ASP 52 -6.323 -12.081 -1.541 399 HB3 ASP 52 HB1 ASP 52 -7.597 -11.820 -0.355 400 HA PRO 53 HA PRO 53 -10.595 -8.907 0.484 401 HB2 PRO 53 HB2 PRO 53 -9.867 -8.031 3.042 402 HB3 PRO 53 HB1 PRO 53 -10.569 -9.611 2.646 403 HG2 PRO 53 HG2 PRO 53 -7.738 -8.868 3.120 404 HG3 PRO 53 HG1 PRO 53 -8.606 -10.360 3.533 405 HD2 PRO 53 HD2 PRO 53 -6.910 -10.273 1.468 406 HD3 PRO 53 HD1 PRO 53 -8.403 -11.233 1.402 407 H ILE 54 HN ILE 54 -7.573 -7.157 1.163 408 HA ILE 54 HA ILE 54 -8.849 -4.604 1.305 409 HB ILE 54 HB ILE 54 -5.937 -5.260 0.804 410 HG12 ILE 54 HG12 ILE 54 -7.310 -4.382 3.359 411 HG13 ILE 54 HG11 ILE 54 -6.886 -6.049 2.983 412 HG21 ILE 54 HG21 ILE 54 -6.532 -3.017 0.016 413 HG22 ILE 54 HG22 ILE 54 -5.490 -2.941 1.438 414 HG23 ILE 54 HG23 ILE 54 -7.221 -2.646 1.597 415 HD11 ILE 54 HD11 ILE 54 -4.530 -5.436 2.897 416 HD12 ILE 54 HD12 ILE 54 -5.252 -5.031 4.455 417 HD13 ILE 54 HD13 ILE 54 -4.955 -3.763 3.266 418 H THR 55 HN THR 55 -7.025 -6.343 -1.202 419 HA THR 55 HA THR 55 -7.054 -4.373 -3.184 420 HB THR 55 HB THR 55 -7.192 -7.366 -3.624 421 HG1 THR 55 HG1 THR 55 -5.426 -6.762 -2.273 422 HG21 THR 55 HG21 THR 55 -6.055 -6.873 -5.738 423 HG22 THR 55 HG22 THR 55 -6.112 -5.149 -5.373 424 HG23 THR 55 HG23 THR 55 -7.607 -6.040 -5.656 425 H ALA 56 HN ALA 56 -9.356 -7.021 -2.583 426 HA ALA 56 HA ALA 56 -11.106 -6.409 -4.700 427 HB1 ALA 56 HB1 ALA 56 -11.731 -7.777 -2.086 428 HB2 ALA 56 HB2 ALA 56 -11.108 -8.565 -3.535 429 HB3 ALA 56 HB3 ALA 56 -12.715 -7.834 -3.549 430 H ALA 57 HN ALA 57 -11.028 -5.374 -1.321 431 HA ALA 57 HA ALA 57 -13.459 -3.991 -1.258 432 HB1 ALA 57 HB1 ALA 57 -12.791 -3.182 0.788 433 HB2 ALA 57 HB2 ALA 57 -11.117 -2.977 0.281 434 HB3 ALA 57 HB3 ALA 57 -11.737 -4.589 0.631 435 H LEU 58 HN LEU 58 -10.175 -2.813 -1.915 436 HA LEU 58 HA LEU 58 -10.916 -0.141 -2.415 437 HB2 LEU 58 HB2 LEU 58 -8.530 -1.639 -3.499 438 HB3 LEU 58 HB1 LEU 58 -8.708 0.103 -3.413 439 HG LEU 58 HG LEU 58 -8.336 -1.829 -1.137 440 HD11 LEU 58 HD11 LEU 58 -6.314 -1.087 -2.285 441 HD12 LEU 58 HD12 LEU 58 -6.397 -0.432 -0.651 442 HD13 LEU 58 HD13 LEU 58 -6.783 0.595 -2.032 443 HD21 LEU 58 HD21 LEU 58 -8.535 0.135 0.359 444 HD22 LEU 58 HD22 LEU 58 -10.054 -0.296 -0.429 445 HD23 LEU 58 HD23 LEU 58 -9.116 1.078 -1.013 446 H SER 59 HN SER 59 -10.540 -2.936 -4.554 447 HA SER 59 HA SER 59 -10.879 -1.587 -6.990 448 HB2 SER 59 HB2 SER 59 -10.097 -3.916 -6.830 449 HB3 SER 59 HB1 SER 59 -11.691 -4.415 -6.261 450 HG SER 59 HG SER 59 -11.043 -3.322 -8.804 451 H GLN 60 HN GLN 60 -13.252 -3.164 -4.874 452 HA GLN 60 HA GLN 60 -15.534 -2.553 -6.409 453 HB2 GLN 60 HB2 GLN 60 -15.419 -4.267 -4.603 454 HB3 GLN 60 HB1 GLN 60 -15.343 -2.971 -3.419 455 HG2 GLN 60 HG2 GLN 60 -17.551 -2.182 -4.206 456 HG3 GLN 60 HG1 GLN 60 -17.632 -3.579 -5.275 457 HE21 GLN 60 HE21 GLN 60 -16.273 -3.579 -2.051 458 HE22 GLN 60 HE22 GLN 60 -17.465 -4.608 -1.338 459 H ARG 61 HN ARG 61 -14.070 -0.948 -3.612 460 HA ARG 61 HA ARG 61 -15.899 1.132 -3.319 461 HB2 ARG 61 HB2 ARG 61 -14.499 1.004 -1.524 462 HB3 ARG 61 HB1 ARG 61 -13.105 0.582 -2.502 463 HG2 ARG 61 HG2 ARG 61 -12.979 2.965 -3.223 464 HG3 ARG 61 HG1 ARG 61 -14.253 3.324 -2.055 465 HD2 ARG 61 HD2 ARG 61 -12.884 2.610 -0.235 466 HD3 ARG 61 HD1 ARG 61 -11.661 1.969 -1.329 467 HE ARG 61 HE ARG 61 -10.921 4.146 -1.758 468 HH11 ARG 61 HH11 ARG 61 -13.614 4.112 0.487 469 HH12 ARG 61 HH12 ARG 61 -13.347 5.741 1.023 470 HH21 ARG 61 HH21 ARG 61 -10.552 6.271 -1.045 471 HH22 ARG 61 HH22 ARG 61 -11.610 6.968 0.148 472 H ALA 62 HN ALA 62 -12.972 0.928 -5.304 473 HA ALA 62 HA ALA 62 -13.066 3.620 -6.209 474 HB1 ALA 62 HB1 ALA 62 -11.692 1.226 -7.406 475 HB2 ALA 62 HB2 ALA 62 -11.008 2.355 -6.236 476 HB3 ALA 62 HB3 ALA 62 -11.411 2.906 -7.862 477 H MET 63 HN MET 63 -14.361 0.594 -7.519 478 HA MET 63 HA MET 63 -15.097 1.786 -10.015 479 HB2 MET 63 HB2 MET 63 -15.989 -0.292 -10.628 480 HB3 MET 63 HB1 MET 63 -14.643 -0.693 -9.576 481 HG2 MET 63 HG2 MET 63 -16.133 -1.157 -7.755 482 HG3 MET 63 HG1 MET 63 -17.514 -0.590 -8.692 483 HE1 MET 63 HE1 MET 63 -14.493 -2.833 -9.970 484 HE2 MET 63 HE2 MET 63 -15.134 -4.440 -9.633 485 HE3 MET 63 HE3 MET 63 -14.765 -3.342 -8.305 486 H ILE 64 HN ILE 64 -16.687 1.412 -6.924 487 HA ILE 64 HA ILE 64 -19.272 2.125 -8.019 488 HB ILE 64 HB ILE 64 -18.372 1.694 -5.171 489 HG12 ILE 64 HG12 ILE 64 -20.166 0.056 -6.978 490 HG13 ILE 64 HG11 ILE 64 -18.479 -0.312 -6.625 491 HG21 ILE 64 HG21 ILE 64 -20.733 1.798 -4.546 492 HG22 ILE 64 HG22 ILE 64 -21.161 2.228 -6.201 493 HG23 ILE 64 HG23 ILE 64 -20.188 3.332 -5.227 494 HD11 ILE 64 HD11 ILE 64 -19.056 -0.583 -4.260 495 HD12 ILE 64 HD12 ILE 64 -19.946 -1.693 -5.301 496 HD13 ILE 64 HD13 ILE 64 -20.748 -0.263 -4.645 497 H LEU 65 HN LEU 65 -16.886 3.637 -5.838 498 HA LEU 65 HA LEU 65 -18.376 6.087 -5.691 499 HB2 LEU 65 HB2 LEU 65 -15.768 5.115 -4.635 500 HB3 LEU 65 HB1 LEU 65 -16.024 6.846 -4.721 501 HG LEU 65 HG LEU 65 -18.111 6.522 -3.355 502 HD11 LEU 65 HD11 LEU 65 -18.116 3.984 -3.947 503 HD12 LEU 65 HD12 LEU 65 -18.645 4.512 -2.349 504 HD13 LEU 65 HD13 LEU 65 -17.025 3.852 -2.567 505 HD21 LEU 65 HD21 LEU 65 -15.504 5.651 -2.115 506 HD22 LEU 65 HD22 LEU 65 -16.904 6.279 -1.244 507 HD23 LEU 65 HD23 LEU 65 -16.030 7.316 -2.372 508 H GLY 66 HN GLY 66 -16.073 4.781 -7.851 509 HA2 GLY 66 HA2 GLY 66 -15.372 5.620 -9.880 510 HA3 GLY 66 HA1 GLY 66 -16.255 7.099 -9.534 511 H LYS 67 HN LYS 67 -13.801 5.723 -7.428 512 HA LYS 67 HA LYS 67 -11.814 7.622 -8.359 513 HB2 LYS 67 HB2 LYS 67 -11.453 8.411 -5.947 514 HB3 LYS 67 HB1 LYS 67 -12.815 9.087 -6.828 515 HG2 LYS 67 HG2 LYS 67 -14.359 7.711 -5.653 516 HG3 LYS 67 HG1 LYS 67 -13.057 6.773 -4.924 517 HD2 LYS 67 HD2 LYS 67 -13.944 8.328 -3.299 518 HD3 LYS 67 HD1 LYS 67 -12.302 8.801 -3.731 519 HE2 LYS 67 HE2 LYS 67 -14.542 10.011 -5.270 520 HE3 LYS 67 HE1 LYS 67 -14.309 10.547 -3.608 521 HZ1 LYS 67 HZ1 LYS 67 -12.356 10.701 -5.837 522 HZ2 LYS 67 HZ2 LYS 67 -11.946 10.997 -4.223 523 HZ3 LYS 67 HZ3 LYS 67 -13.075 11.984 -5.000 524 H SER 68 HN SER 68 -10.042 6.482 -8.564 525 HA SER 68 HA SER 68 -9.526 4.273 -6.694 526 HB2 SER 68 HB2 SER 68 -7.804 3.754 -8.665 527 HB3 SER 68 HB1 SER 68 -9.489 3.238 -8.741 528 HG SER 68 HG SER 68 -9.536 4.349 -10.517 529 H GLY 69 HN GLY 69 -8.940 6.950 -5.957 530 HA2 GLY 69 HA2 GLY 69 -6.314 7.780 -6.425 531 HA3 GLY 69 HA1 GLY 69 -7.257 8.172 -4.998 532 H GLU 70 HN GLU 70 -7.555 5.867 -3.693 533 HA GLU 70 HA GLU 70 -4.963 5.426 -2.595 534 HB2 GLU 70 HB2 GLU 70 -7.599 4.030 -2.101 535 HB3 GLU 70 HB1 GLU 70 -6.136 3.715 -1.183 536 HG2 GLU 70 HG2 GLU 70 -7.290 5.181 0.168 537 HG3 GLU 70 HG1 GLU 70 -6.172 6.245 -0.683 538 H LEU 71 HN LEU 71 -6.994 3.732 -4.868 539 HA LEU 71 HA LEU 71 -5.728 1.226 -4.831 540 HB2 LEU 71 HB2 LEU 71 -7.786 2.470 -6.284 541 HB3 LEU 71 HB1 LEU 71 -6.622 1.925 -7.475 542 HG LEU 71 HG LEU 71 -7.987 0.199 -5.409 543 HD11 LEU 71 HD11 LEU 71 -9.537 0.752 -7.104 544 HD12 LEU 71 HD12 LEU 71 -8.946 -0.869 -7.474 545 HD13 LEU 71 HD13 LEU 71 -8.338 0.521 -8.373 546 HD21 LEU 71 HD21 LEU 71 -6.918 -1.676 -6.602 547 HD22 LEU 71 HD22 LEU 71 -5.747 -0.617 -5.818 548 HD23 LEU 71 HD23 LEU 71 -5.995 -0.515 -7.558 549 H LYS 72 HN LYS 72 -4.936 4.224 -6.491 550 HA LYS 72 HA LYS 72 -3.062 3.243 -8.325 551 HB2 LYS 72 HB2 LYS 72 -3.511 5.887 -7.011 552 HB3 LYS 72 HB1 LYS 72 -1.996 5.623 -7.861 553 HG2 LYS 72 HG2 LYS 72 -3.709 4.753 -9.729 554 HG3 LYS 72 HG1 LYS 72 -4.727 5.943 -8.916 555 HD2 LYS 72 HD2 LYS 72 -1.962 6.455 -10.015 556 HD3 LYS 72 HD1 LYS 72 -3.470 6.922 -10.797 557 HE2 LYS 72 HE2 LYS 72 -3.989 8.470 -9.078 558 HE3 LYS 72 HE1 LYS 72 -2.711 7.842 -8.036 559 HZ1 LYS 72 HZ1 LYS 72 -2.314 9.302 -10.594 560 HZ2 LYS 72 HZ2 LYS 72 -1.078 8.659 -9.639 561 HZ3 LYS 72 HZ3 LYS 72 -2.038 9.914 -9.041 562 H THR 73 HN THR 73 -2.639 4.372 -5.002 563 HA THR 73 HA THR 73 0.161 3.879 -4.924 564 HB THR 73 HB THR 73 -1.676 4.073 -2.533 565 HG1 THR 73 HG1 THR 73 -0.555 6.167 -4.121 566 HG21 THR 73 HG21 THR 73 1.199 4.903 -2.972 567 HG22 THR 73 HG22 THR 73 0.671 3.467 -2.097 568 HG23 THR 73 HG23 THR 73 0.289 5.069 -1.468 569 H TRP 74 HN TRP 74 -2.711 2.124 -3.838 570 HA TRP 74 HA TRP 74 -1.496 0.028 -2.484 571 HB2 TRP 74 HB2 TRP 74 -3.890 0.353 -2.397 572 HB3 TRP 74 HB1 TRP 74 -4.039 0.035 -4.122 573 HD1 TRP 74 HD1 TRP 74 -4.586 -2.396 -4.777 574 HE1 TRP 74 HE1 TRP 74 -4.608 -4.667 -3.561 575 HE3 TRP 74 HE3 TRP 74 -2.524 -0.959 -0.314 576 HZ2 TRP 74 HZ2 TRP 74 -3.857 -5.705 -1.055 577 HZ3 TRP 74 HZ3 TRP 74 -2.213 -2.659 1.436 578 HH2 TRP 74 HH2 TRP 74 -2.869 -4.984 1.071 579 H GLY 75 HN GLY 75 -2.361 0.227 -5.926 580 HA2 GLY 75 HA2 GLY 75 -1.538 -2.309 -6.706 581 HA3 GLY 75 HA1 GLY 75 -1.547 -0.899 -7.753 582 H LEU 76 HN LEU 76 0.389 0.645 -6.406 583 HA LEU 76 HA LEU 76 2.753 -0.502 -7.504 584 HB2 LEU 76 HB2 LEU 76 2.375 1.929 -5.754 585 HB3 LEU 76 HB1 LEU 76 3.878 1.502 -6.557 586 HG LEU 76 HG LEU 76 1.297 2.060 -8.018 587 HD11 LEU 76 HD11 LEU 76 2.022 4.054 -6.830 588 HD12 LEU 76 HD12 LEU 76 2.257 4.234 -8.570 589 HD13 LEU 76 HD13 LEU 76 3.635 3.895 -7.521 590 HD21 LEU 76 HD21 LEU 76 2.901 0.658 -9.225 591 HD22 LEU 76 HD22 LEU 76 4.146 1.885 -8.986 592 HD23 LEU 76 HD23 LEU 76 2.730 2.247 -9.972 593 H VAL 77 HN VAL 77 1.653 0.109 -4.185 594 HA VAL 77 HA VAL 77 3.965 -0.889 -2.902 595 HB VAL 77 HB VAL 77 1.120 -0.721 -1.883 596 HG11 VAL 77 HG11 VAL 77 3.666 -1.042 -0.305 597 HG12 VAL 77 HG12 VAL 77 2.506 -2.333 -0.616 598 HG13 VAL 77 HG13 VAL 77 2.030 -0.931 0.344 599 HG21 VAL 77 HG21 VAL 77 1.858 1.323 -0.785 600 HG22 VAL 77 HG22 VAL 77 2.071 1.438 -2.531 601 HG23 VAL 77 HG23 VAL 77 3.462 1.136 -1.491 602 H LEU 78 HN LEU 78 0.876 -2.382 -3.769 603 HA LEU 78 HA LEU 78 1.305 -4.907 -2.651 604 HB2 LEU 78 HB2 LEU 78 -0.862 -4.064 -3.494 605 HB3 LEU 78 HB1 LEU 78 -0.266 -4.207 -5.134 606 HG LEU 78 HG LEU 78 0.047 -6.706 -4.607 607 HD11 LEU 78 HD11 LEU 78 -1.869 -5.961 -2.400 608 HD12 LEU 78 HD12 LEU 78 -0.210 -6.511 -2.176 609 HD13 LEU 78 HD13 LEU 78 -1.413 -7.597 -2.874 610 HD21 LEU 78 HD21 LEU 78 -2.283 -7.172 -5.170 611 HD22 LEU 78 HD22 LEU 78 -1.655 -5.822 -6.114 612 HD23 LEU 78 HD23 LEU 78 -2.724 -5.518 -4.743 613 H GLY 79 HN GLY 79 1.986 -3.710 -5.925 614 HA2 GLY 79 HA2 GLY 79 2.964 -6.099 -7.003 615 HA3 GLY 79 HA1 GLY 79 3.392 -4.490 -7.557 616 H ALA 80 HN ALA 80 4.667 -3.522 -5.271 617 HA ALA 80 HA ALA 80 7.248 -4.623 -5.610 618 HB1 ALA 80 HB1 ALA 80 6.181 -2.708 -3.544 619 HB2 ALA 80 HB2 ALA 80 6.987 -2.302 -5.059 620 HB3 ALA 80 HB3 ALA 80 7.888 -3.096 -3.765 621 H LEU 81 HN LEU 81 4.834 -4.923 -3.027 622 HA LEU 81 HA LEU 81 6.453 -6.460 -1.273 623 HB2 LEU 81 HB2 LEU 81 3.471 -6.124 -1.536 624 HB3 LEU 81 HB1 LEU 81 4.190 -7.154 -0.315 625 HG LEU 81 HG LEU 81 4.763 -4.203 -0.563 626 HD11 LEU 81 HD11 LEU 81 2.857 -5.636 1.288 627 HD12 LEU 81 HD12 LEU 81 2.407 -4.561 -0.036 628 HD13 LEU 81 HD13 LEU 81 3.275 -3.923 1.359 629 HD21 LEU 81 HD21 LEU 81 6.525 -5.407 0.546 630 HD22 LEU 81 HD22 LEU 81 5.360 -6.241 1.574 631 HD23 LEU 81 HD23 LEU 81 5.602 -4.501 1.745 632 H LYS 82 HN LYS 82 4.156 -7.287 -3.803 633 HA LYS 82 HA LYS 82 4.041 -10.054 -3.402 634 HB2 LYS 82 HB2 LYS 82 2.738 -8.392 -5.012 635 HB3 LYS 82 HB1 LYS 82 3.936 -8.945 -6.171 636 HG2 LYS 82 HG2 LYS 82 3.217 -11.201 -5.965 637 HG3 LYS 82 HG1 LYS 82 2.188 -10.808 -4.586 638 HD2 LYS 82 HD2 LYS 82 0.744 -9.474 -5.983 639 HD3 LYS 82 HD1 LYS 82 1.823 -9.686 -7.362 640 HE2 LYS 82 HE2 LYS 82 1.382 -12.119 -7.273 641 HE3 LYS 82 HE1 LYS 82 0.233 -11.832 -5.969 642 HZ1 LYS 82 HZ1 LYS 82 -1.098 -10.491 -7.461 643 HZ2 LYS 82 HZ2 LYS 82 -0.857 -12.026 -8.132 644 HZ3 LYS 82 HZ3 LYS 82 0.025 -10.706 -8.709 645 H ALA 83 HN ALA 83 6.130 -8.126 -5.524 646 HA ALA 83 HA ALA 83 7.581 -10.310 -6.581 647 HB1 ALA 83 HB1 ALA 83 8.421 -7.420 -6.349 648 HB2 ALA 83 HB2 ALA 83 7.488 -8.116 -7.674 649 HB3 ALA 83 HB3 ALA 83 9.153 -8.633 -7.398 650 H ALA 84 HN ALA 84 8.046 -8.285 -3.748 651 HA ALA 84 HA ALA 84 10.681 -9.076 -3.140 652 HB1 ALA 84 HB1 ALA 84 8.525 -8.121 -1.269 653 HB2 ALA 84 HB2 ALA 84 9.635 -7.096 -2.178 654 HB3 ALA 84 HB3 ALA 84 10.252 -8.172 -0.923 655 H ARG 85 HN ARG 85 7.538 -10.376 -2.119 656 HA ARG 85 HA ARG 85 8.867 -12.433 -0.554 657 HB2 ARG 85 HB2 ARG 85 5.994 -11.637 -0.917 658 HB3 ARG 85 HB1 ARG 85 6.429 -13.151 -0.134 659 HG2 ARG 85 HG2 ARG 85 7.964 -11.605 1.320 660 HG3 ARG 85 HG1 ARG 85 6.846 -10.350 0.791 661 HD2 ARG 85 HD2 ARG 85 5.003 -11.439 1.780 662 HD3 ARG 85 HD1 ARG 85 5.911 -12.935 2.002 663 HE ARG 85 HE ARG 85 7.125 -10.804 3.431 664 HH11 ARG 85 HH11 ARG 85 4.288 -12.985 5.255 665 HH12 ARG 85 HH12 ARG 85 4.432 -13.031 3.527 666 HH21 ARG 85 HH21 ARG 85 5.735 -11.702 6.506 667 HH22 ARG 85 HH22 ARG 85 6.972 -10.773 5.717 668 H GLU 86 HN GLU 86 8.634 -12.175 -3.672 669 HA GLU 86 HA GLU 86 7.731 -14.934 -4.156 670 HB2 GLU 86 HB2 GLU 86 7.624 -12.457 -5.716 671 HB3 GLU 86 HB1 GLU 86 8.245 -13.822 -6.632 672 HG2 GLU 86 HG2 GLU 86 6.063 -14.906 -5.391 673 HG3 GLU 86 HG1 GLU 86 5.533 -13.256 -5.715 674 H GLU 87 HN GLU 87 10.320 -13.952 -3.018 675 HA GLU 87 HA GLU 87 12.101 -15.299 -4.933 676 HB2 GLU 87 HB2 GLU 87 12.453 -12.818 -4.870 677 HB3 GLU 87 HB1 GLU 87 12.862 -12.965 -3.167 678 HG2 GLU 87 HG2 GLU 87 14.724 -14.473 -3.796 679 HG3 GLU 87 HG1 GLU 87 14.350 -14.162 -5.491 680 H1 FGV 101 H1 IP3 1 12.773 10.488 -1.363 681 H2 FGV 101 H2 IP3 1 13.683 8.823 0.227 682 H3 FGV 101 H3 IP3 1 12.553 10.800 1.150 683 H4 FGV 101 H4 IP3 1 10.012 9.076 1.165 684 H5 FGV 101 H5 IP3 1 10.697 11.621 -0.407 685 H6 FGV 101 H6 IP3 1 10.250 8.753 -1.382 686 H11 FGV 101 H11 IP3 1 15.428 8.614 -4.784 687 H12 FGV 101 H12 IP3 1 11.955 7.598 1.217 688 H14 FGV 101 H14 IP3 1 9.468 11.544 1.576 689 H16 FGV 101 H16 IP3 1 9.993 11.125 -2.477 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 2.678 4.821 10.447 2 H2 SER 1 HT2 SER 1 3.180 4.436 12.018 3 H3 SER 1 HT3 SER 1 4.294 4.421 10.748 4 HA SER 1 HA SER 1 2.834 6.874 11.360 5 HB2 SER 1 HB2 SER 1 5.448 6.596 12.670 6 HB3 SER 1 HB1 SER 1 3.954 7.319 13.269 7 HG SER 1 HG SER 1 3.843 5.572 14.428 8 H GLU 2 HN GLU 2 6.246 5.837 11.026 9 HA GLU 2 HA GLU 2 6.401 7.354 8.519 10 HB2 GLU 2 HB2 GLU 2 8.398 7.682 10.762 11 HB3 GLU 2 HB1 GLU 2 8.412 8.511 9.210 12 HG2 GLU 2 HG2 GLU 2 7.131 10.127 10.013 13 HG3 GLU 2 HG1 GLU 2 5.903 8.966 10.509 14 H ALA 3 HN ALA 3 8.119 5.249 10.791 15 HA ALA 3 HA ALA 3 10.207 4.408 9.186 16 HB1 ALA 3 HB1 ALA 3 10.457 2.554 10.671 17 HB2 ALA 3 HB2 ALA 3 8.781 2.689 11.203 18 HB3 ALA 3 HB3 ALA 3 9.940 3.952 11.616 19 H VAL 4 HN VAL 4 6.932 3.072 9.396 20 HA VAL 4 HA VAL 4 7.314 0.806 7.813 21 HB VAL 4 HB VAL 4 4.788 2.465 7.910 22 HG11 VAL 4 HG11 VAL 4 5.226 -0.471 7.367 23 HG12 VAL 4 HG12 VAL 4 4.786 0.753 6.175 24 HG13 VAL 4 HG13 VAL 4 3.660 0.334 7.467 25 HG21 VAL 4 HG21 VAL 4 4.542 1.922 10.050 26 HG22 VAL 4 HG22 VAL 4 6.139 1.171 10.034 27 HG23 VAL 4 HG23 VAL 4 4.709 0.212 9.654 28 H ILE 5 HN ILE 5 6.545 4.130 6.876 29 HA ILE 5 HA ILE 5 6.131 3.621 4.129 30 HB ILE 5 HB ILE 5 7.150 6.193 5.357 31 HG12 ILE 5 HG12 ILE 5 4.293 5.326 4.864 32 HG13 ILE 5 HG11 ILE 5 5.063 5.380 6.443 33 HG21 ILE 5 HG21 ILE 5 5.844 5.522 2.734 34 HG22 ILE 5 HG22 ILE 5 7.393 6.315 3.020 35 HG23 ILE 5 HG23 ILE 5 5.889 7.163 3.376 36 HD11 ILE 5 HD11 ILE 5 3.611 7.315 5.998 37 HD12 ILE 5 HD12 ILE 5 4.660 7.765 4.653 38 HD13 ILE 5 HD13 ILE 5 5.287 7.769 6.302 39 H LYS 6 HN LYS 6 8.987 4.318 6.049 40 HA LYS 6 HA LYS 6 10.805 4.772 3.958 41 HB2 LYS 6 HB2 LYS 6 11.171 3.677 6.745 42 HB3 LYS 6 HB1 LYS 6 12.522 3.997 5.669 43 HG2 LYS 6 HG2 LYS 6 10.519 6.048 6.591 44 HG3 LYS 6 HG1 LYS 6 12.119 5.808 7.287 45 HD2 LYS 6 HD2 LYS 6 11.494 6.663 4.458 46 HD3 LYS 6 HD1 LYS 6 12.174 7.667 5.738 47 HE2 LYS 6 HE2 LYS 6 14.154 6.209 5.807 48 HE3 LYS 6 HE1 LYS 6 13.474 5.243 4.502 49 HZ1 LYS 6 HZ1 LYS 6 14.425 8.032 4.396 50 HZ2 LYS 6 HZ2 LYS 6 13.430 7.386 3.192 51 HZ3 LYS 6 HZ3 LYS 6 14.953 6.708 3.486 52 H VAL 7 HN VAL 7 9.801 1.796 5.590 53 HA VAL 7 HA VAL 7 11.576 0.053 4.263 54 HB VAL 7 HB VAL 7 8.825 -0.585 5.362 55 HG11 VAL 7 HG11 VAL 7 9.663 -2.877 5.559 56 HG12 VAL 7 HG12 VAL 7 11.173 -2.389 4.790 57 HG13 VAL 7 HG13 VAL 7 9.663 -2.329 3.882 58 HG21 VAL 7 HG21 VAL 7 10.243 0.436 7.059 59 HG22 VAL 7 HG22 VAL 7 11.522 -0.725 6.708 60 HG23 VAL 7 HG23 VAL 7 9.994 -1.275 7.396 61 H ILE 8 HN ILE 8 8.276 1.106 3.547 62 HA ILE 8 HA ILE 8 7.897 -0.498 1.256 63 HB ILE 8 HB ILE 8 6.620 2.150 1.960 64 HG12 ILE 8 HG12 ILE 8 6.188 0.482 3.664 65 HG13 ILE 8 HG11 ILE 8 4.726 0.732 2.719 66 HG21 ILE 8 HG21 ILE 8 6.382 1.693 -0.407 67 HG22 ILE 8 HG22 ILE 8 4.835 1.479 0.410 68 HG23 ILE 8 HG23 ILE 8 5.788 0.070 -0.056 69 HD11 ILE 8 HD11 ILE 8 5.323 -1.317 1.420 70 HD12 ILE 8 HD12 ILE 8 4.943 -1.593 3.119 71 HD13 ILE 8 HD13 ILE 8 6.623 -1.594 2.580 72 H SER 9 HN SER 9 9.171 2.763 1.718 73 HA SER 9 HA SER 9 9.365 3.559 -0.941 74 HB2 SER 9 HB2 SER 9 9.801 4.911 1.212 75 HB3 SER 9 HB1 SER 9 11.442 4.275 1.115 76 HG SER 9 HG SER 9 10.147 5.673 -0.992 77 H SER 10 HN SER 10 11.972 2.114 1.059 78 HA SER 10 HA SER 10 13.849 1.884 -0.988 79 HB2 SER 10 HB2 SER 10 13.509 0.081 1.417 80 HB3 SER 10 HB1 SER 10 14.976 0.247 0.449 81 HG SER 10 HG SER 10 14.620 2.635 1.031 82 H ALA 11 HN ALA 11 11.130 -0.170 -0.216 83 HA ALA 11 HA ALA 11 11.986 -2.382 -1.812 84 HB1 ALA 11 HB1 ALA 11 10.438 -2.688 0.046 85 HB2 ALA 11 HB2 ALA 11 9.729 -3.248 -1.467 86 HB3 ALA 11 HB3 ALA 11 9.233 -1.700 -0.782 87 H CYS 12 HN CYS 12 9.450 0.097 -2.305 88 HA CYS 12 HA CYS 12 8.879 -0.749 -4.944 89 HB2 CYS 12 HB2 CYS 12 7.664 1.433 -5.134 90 HB3 CYS 12 HB1 CYS 12 7.194 0.446 -3.757 91 HG CYS 12 HG CYS 12 8.613 1.957 -1.885 92 H LYS 13 HN LYS 13 11.125 1.650 -3.659 93 HA LYS 13 HA LYS 13 11.719 2.928 -6.098 94 HB2 LYS 13 HB2 LYS 13 13.335 2.577 -3.577 95 HB3 LYS 13 HB1 LYS 13 13.909 3.515 -4.950 96 HG2 LYS 13 HG2 LYS 13 11.239 4.133 -3.792 97 HG3 LYS 13 HG1 LYS 13 12.691 4.663 -2.942 98 HD2 LYS 13 HD2 LYS 13 13.431 5.841 -4.960 99 HD3 LYS 13 HD1 LYS 13 11.976 5.305 -5.806 100 HE2 LYS 13 HE2 LYS 13 10.603 6.704 -4.595 101 HE3 LYS 13 HE1 LYS 13 11.705 6.773 -3.223 102 HZ1 LYS 13 HZ1 LYS 13 13.229 8.037 -4.791 103 HZ2 LYS 13 HZ2 LYS 13 11.862 8.857 -4.221 104 HZ3 LYS 13 HZ3 LYS 13 11.878 8.223 -5.791 105 H THR 14 HN THR 14 12.533 -0.190 -4.961 106 HA THR 14 HA THR 14 14.844 -0.443 -6.692 107 HB THR 14 HB THR 14 13.459 -2.546 -5.015 108 HG1 THR 14 HG1 THR 14 14.327 -1.060 -3.616 109 HG21 THR 14 HG21 THR 14 16.226 -2.557 -6.226 110 HG22 THR 14 HG22 THR 14 14.843 -3.428 -6.890 111 HG23 THR 14 HG23 THR 14 15.471 -3.854 -5.298 112 H TYR 15 HN TYR 15 11.511 -1.636 -6.527 113 HA TYR 15 HA TYR 15 11.832 -3.078 -9.025 114 HB2 TYR 15 HB2 TYR 15 9.441 -2.731 -7.206 115 HB3 TYR 15 HB1 TYR 15 9.425 -3.690 -8.684 116 HD1 TYR 15 HD1 TYR 15 9.638 -3.954 -5.261 117 HD2 TYR 15 HD2 TYR 15 11.596 -5.372 -8.763 118 HE1 TYR 15 HE1 TYR 15 10.472 -5.895 -4.007 119 HE2 TYR 15 HE2 TYR 15 12.432 -7.318 -7.515 120 HH TYR 15 HH TYR 15 11.285 -8.492 -4.945 121 H CYS 16 HN CYS 16 9.594 -0.532 -7.887 122 HA CYS 16 HA CYS 16 8.808 0.125 -10.570 123 HB2 CYS 16 HB2 CYS 16 8.309 1.776 -8.091 124 HB3 CYS 16 HB1 CYS 16 7.360 1.739 -9.573 125 HG CYS 16 HG CYS 16 5.903 -0.358 -9.036 126 H GLY 17 HN GLY 17 10.880 1.558 -8.089 127 HA2 GLY 17 HA2 GLY 17 12.799 2.837 -8.452 128 HA3 GLY 17 HA1 GLY 17 12.375 2.944 -10.155 129 H LYS 18 HN LYS 18 11.805 4.871 -10.842 130 HA LYS 18 HA LYS 18 11.275 6.999 -8.961 131 HB2 LYS 18 HB2 LYS 18 11.316 8.453 -10.915 132 HB3 LYS 18 HB1 LYS 18 12.685 7.352 -10.956 133 HG2 LYS 18 HG2 LYS 18 11.109 5.892 -12.434 134 HG3 LYS 18 HG1 LYS 18 10.258 7.413 -12.683 135 HD2 LYS 18 HD2 LYS 18 13.199 6.985 -13.187 136 HD3 LYS 18 HD1 LYS 18 11.948 6.941 -14.430 137 HE2 LYS 18 HE2 LYS 18 11.353 9.261 -13.893 138 HE3 LYS 18 HE1 LYS 18 12.624 9.297 -12.672 139 HZ1 LYS 18 HZ1 LYS 18 14.241 8.879 -14.440 140 HZ2 LYS 18 HZ2 LYS 18 13.385 10.315 -14.701 141 HZ3 LYS 18 HZ3 LYS 18 13.004 8.925 -15.590 142 H THR 19 HN THR 19 9.443 4.760 -10.720 143 HA THR 19 HA THR 19 7.050 6.384 -10.914 144 HB THR 19 HB THR 19 6.626 3.561 -11.358 145 HG1 THR 19 HG1 THR 19 8.426 3.056 -12.351 146 HG21 THR 19 HG21 THR 19 5.222 5.234 -12.365 147 HG22 THR 19 HG22 THR 19 6.084 4.404 -13.659 148 HG23 THR 19 HG23 THR 19 6.609 6.004 -13.134 149 H SER 20 HN SER 20 8.345 5.534 -8.289 150 HA SER 20 HA SER 20 6.266 3.905 -7.069 151 HB2 SER 20 HB2 SER 20 8.660 5.126 -5.695 152 HB3 SER 20 HB1 SER 20 7.728 3.712 -5.204 153 HG SER 20 HG SER 20 9.797 3.922 -6.989 154 HA PRO 21 HA PRO 21 3.961 7.280 -5.400 155 HB2 PRO 21 HB2 PRO 21 3.122 6.202 -3.033 156 HB3 PRO 21 HB1 PRO 21 2.433 5.744 -4.602 157 HG2 PRO 21 HG2 PRO 21 4.484 4.335 -2.965 158 HG3 PRO 21 HG1 PRO 21 3.101 3.674 -3.861 159 HD2 PRO 21 HD2 PRO 21 5.606 3.569 -4.840 160 HD3 PRO 21 HD1 PRO 21 4.189 3.771 -5.892 161 H SER 22 HN SER 22 4.188 9.014 -4.030 162 HA SER 22 HA SER 22 6.713 9.303 -2.712 163 HB2 SER 22 HB2 SER 22 5.775 11.545 -2.050 164 HB3 SER 22 HB1 SER 22 5.753 11.233 -3.783 165 HG SER 22 HG SER 22 3.537 10.664 -3.579 166 H LYS 23 HN LYS 23 6.886 10.104 -0.432 167 HA LYS 23 HA LYS 23 5.913 8.235 1.399 168 HB2 LYS 23 HB2 LYS 23 7.903 9.533 1.864 169 HB3 LYS 23 HB1 LYS 23 6.986 11.030 1.829 170 HG2 LYS 23 HG2 LYS 23 5.744 10.280 3.831 171 HG3 LYS 23 HG1 LYS 23 6.761 8.842 3.886 172 HD2 LYS 23 HD2 LYS 23 7.955 11.590 3.879 173 HD3 LYS 23 HD1 LYS 23 7.390 10.841 5.374 174 HE2 LYS 23 HE2 LYS 23 8.958 9.105 5.227 175 HE3 LYS 23 HE1 LYS 23 9.286 9.428 3.526 176 HZ1 LYS 23 HZ1 LYS 23 9.994 11.254 5.756 177 HZ2 LYS 23 HZ2 LYS 23 10.389 11.454 4.126 178 HZ3 LYS 23 HZ3 LYS 23 11.068 10.185 5.005 179 H LYS 24 HN LYS 24 4.699 11.373 0.447 180 HA LYS 24 HA LYS 24 2.748 11.738 2.425 181 HB2 LYS 24 HB2 LYS 24 2.639 12.678 -0.440 182 HB3 LYS 24 HB1 LYS 24 1.799 13.383 0.933 183 HG2 LYS 24 HG2 LYS 24 4.060 13.873 1.922 184 HG3 LYS 24 HG1 LYS 24 4.747 13.405 0.366 185 HD2 LYS 24 HD2 LYS 24 2.686 15.570 0.750 186 HD3 LYS 24 HD1 LYS 24 4.422 15.850 0.610 187 HE2 LYS 24 HE2 LYS 24 4.367 14.754 -1.618 188 HE3 LYS 24 HE1 LYS 24 2.614 14.627 -1.472 189 HZ1 LYS 24 HZ1 LYS 24 2.445 17.005 -1.398 190 HZ2 LYS 24 HZ2 LYS 24 3.341 16.570 -2.762 191 HZ3 LYS 24 HZ3 LYS 24 4.128 17.177 -1.399 192 H GLU 25 HN GLU 25 2.553 10.256 -0.788 193 HA GLU 25 HA GLU 25 -0.208 9.729 -0.773 194 HB2 GLU 25 HB2 GLU 25 2.067 8.407 -2.254 195 HB3 GLU 25 HB1 GLU 25 0.375 8.019 -2.535 196 HG2 GLU 25 HG2 GLU 25 -0.081 10.196 -3.341 197 HG3 GLU 25 HG1 GLU 25 1.484 10.795 -2.795 198 H ILE 26 HN ILE 26 2.564 7.696 0.123 199 HA ILE 26 HA ILE 26 1.091 5.373 0.708 200 HB ILE 26 HB ILE 26 3.727 6.219 1.928 201 HG12 ILE 26 HG12 ILE 26 3.215 4.499 -0.507 202 HG13 ILE 26 HG11 ILE 26 3.658 6.201 -0.579 203 HG21 ILE 26 HG21 ILE 26 4.084 3.827 2.282 204 HG22 ILE 26 HG22 ILE 26 2.485 3.484 1.621 205 HG23 ILE 26 HG23 ILE 26 2.641 4.383 3.130 206 HD11 ILE 26 HD11 ILE 26 5.772 5.688 0.541 207 HD12 ILE 26 HD12 ILE 26 5.583 4.789 -0.965 208 HD13 ILE 26 HD13 ILE 26 5.324 3.983 0.580 209 H GLY 27 HN GLY 27 2.160 8.040 2.805 210 HA2 GLY 27 HA2 GLY 27 1.250 6.998 5.239 211 HA3 GLY 27 HA1 GLY 27 1.449 8.705 4.879 212 H ALA 28 HN ALA 28 -0.438 8.968 2.832 213 HA ALA 28 HA ALA 28 -2.820 9.281 4.352 214 HB1 ALA 28 HB1 ALA 28 -2.215 10.795 2.519 215 HB2 ALA 28 HB2 ALA 28 -3.814 10.089 2.286 216 HB3 ALA 28 HB3 ALA 28 -2.440 9.477 1.364 217 H MET 29 HN MET 29 -1.746 6.979 1.915 218 HA MET 29 HA MET 29 -4.161 5.610 1.519 219 HB2 MET 29 HB2 MET 29 -2.197 5.346 0.067 220 HB3 MET 29 HB1 MET 29 -1.325 4.571 1.382 221 HG2 MET 29 HG2 MET 29 -3.331 2.898 1.328 222 HG3 MET 29 HG1 MET 29 -3.541 3.520 -0.306 223 HE1 MET 29 HE1 MET 29 0.054 1.112 1.265 224 HE2 MET 29 HE2 MET 29 -1.452 1.411 2.131 225 HE3 MET 29 HE3 MET 29 -0.298 2.722 1.890 226 H LEU 30 HN LEU 30 -1.489 4.992 3.771 227 HA LEU 30 HA LEU 30 -2.496 2.666 4.946 228 HB2 LEU 30 HB2 LEU 30 -0.197 3.468 5.235 229 HB3 LEU 30 HB1 LEU 30 -0.782 4.812 6.194 230 HG LEU 30 HG LEU 30 -1.611 3.206 7.890 231 HD11 LEU 30 HD11 LEU 30 -0.223 1.171 6.155 232 HD12 LEU 30 HD12 LEU 30 -1.955 1.270 6.478 233 HD13 LEU 30 HD13 LEU 30 -0.835 0.880 7.783 234 HD21 LEU 30 HD21 LEU 30 0.550 4.234 8.196 235 HD22 LEU 30 HD22 LEU 30 1.314 3.004 7.188 236 HD23 LEU 30 HD23 LEU 30 0.607 2.559 8.741 237 H SER 31 HN SER 31 -2.859 6.046 5.963 238 HA SER 31 HA SER 31 -4.397 5.538 8.251 239 HB2 SER 31 HB2 SER 31 -4.409 8.004 6.499 240 HB3 SER 31 HB1 SER 31 -4.959 7.914 8.174 241 HG SER 31 HG SER 31 -2.386 8.022 7.148 242 H LEU 32 HN LEU 32 -5.312 6.003 4.878 243 HA LEU 32 HA LEU 32 -8.098 6.209 5.270 244 HB2 LEU 32 HB2 LEU 32 -6.518 6.551 3.152 245 HB3 LEU 32 HB1 LEU 32 -7.018 4.907 2.815 246 HG LEU 32 HG LEU 32 -8.355 6.681 1.656 247 HD11 LEU 32 HD11 LEU 32 -9.287 4.490 1.866 248 HD12 LEU 32 HD12 LEU 32 -10.557 5.671 2.187 249 HD13 LEU 32 HD13 LEU 32 -9.792 4.814 3.524 250 HD21 LEU 32 HD21 LEU 32 -9.590 7.195 4.345 251 HD22 LEU 32 HD22 LEU 32 -9.887 8.045 2.830 252 HD23 LEU 32 HD23 LEU 32 -8.338 8.225 3.655 253 H LEU 33 HN LEU 33 -6.005 3.434 4.569 254 HA LEU 33 HA LEU 33 -8.089 1.524 4.513 255 HB2 LEU 33 HB2 LEU 33 -5.151 1.162 5.089 256 HB3 LEU 33 HB1 LEU 33 -6.276 -0.140 4.755 257 HG LEU 33 HG LEU 33 -5.598 2.072 2.809 258 HD11 LEU 33 HD11 LEU 33 -4.294 0.410 1.620 259 HD12 LEU 33 HD12 LEU 33 -4.649 -0.790 2.862 260 HD13 LEU 33 HD13 LEU 33 -3.671 0.625 3.255 261 HD21 LEU 33 HD21 LEU 33 -7.177 -0.475 2.510 262 HD22 LEU 33 HD22 LEU 33 -6.692 0.574 1.178 263 HD23 LEU 33 HD23 LEU 33 -7.795 1.172 2.418 264 H GLN 34 HN GLN 34 -6.108 2.829 7.089 265 HA GLN 34 HA GLN 34 -6.799 0.901 9.046 266 HB2 GLN 34 HB2 GLN 34 -5.338 3.424 8.946 267 HB3 GLN 34 HB1 GLN 34 -6.204 3.193 10.459 268 HG2 GLN 34 HG2 GLN 34 -5.106 1.018 10.743 269 HG3 GLN 34 HG1 GLN 34 -4.219 1.283 9.244 270 HE21 GLN 34 HE21 GLN 34 -3.314 0.911 12.027 271 HE22 GLN 34 HE22 GLN 34 -2.306 2.280 12.366 272 H LYS 35 HN LYS 35 -8.205 4.050 8.194 273 HA LYS 35 HA LYS 35 -10.068 3.974 10.374 274 HB2 LYS 35 HB2 LYS 35 -11.026 5.977 9.428 275 HB3 LYS 35 HB1 LYS 35 -9.274 6.098 9.387 276 HG2 LYS 35 HG2 LYS 35 -9.214 5.703 7.050 277 HG3 LYS 35 HG1 LYS 35 -10.913 5.237 7.024 278 HD2 LYS 35 HD2 LYS 35 -9.989 7.975 7.850 279 HD3 LYS 35 HD1 LYS 35 -10.377 7.559 6.178 280 HE2 LYS 35 HE2 LYS 35 -12.634 6.867 6.918 281 HE3 LYS 35 HE1 LYS 35 -12.236 7.410 8.551 282 HZ1 LYS 35 HZ1 LYS 35 -12.227 9.147 6.141 283 HZ2 LYS 35 HZ2 LYS 35 -11.969 9.637 7.740 284 HZ3 LYS 35 HZ3 LYS 35 -13.483 9.064 7.269 285 H GLU 36 HN GLU 36 -10.026 2.609 7.229 286 HA GLU 36 HA GLU 36 -12.919 2.381 7.083 287 HB2 GLU 36 HB2 GLU 36 -10.655 1.634 5.269 288 HB3 GLU 36 HB1 GLU 36 -12.255 0.946 5.011 289 HG2 GLU 36 HG2 GLU 36 -11.850 3.903 5.255 290 HG3 GLU 36 HG1 GLU 36 -11.613 3.064 3.724 291 H GLY 37 HN GLY 37 -10.554 0.774 8.712 292 HA2 GLY 37 HA2 GLY 37 -10.772 -1.129 10.018 293 HA3 GLY 37 HA1 GLY 37 -12.300 -1.463 9.224 294 H LEU 38 HN LEU 38 -9.676 -0.886 7.111 295 HA LEU 38 HA LEU 38 -9.703 -3.692 6.337 296 HB2 LEU 38 HB2 LEU 38 -8.523 -1.219 5.088 297 HB3 LEU 38 HB1 LEU 38 -8.199 -2.827 4.470 298 HG LEU 38 HG LEU 38 -10.972 -1.680 4.724 299 HD11 LEU 38 HD11 LEU 38 -9.692 -0.322 3.180 300 HD12 LEU 38 HD12 LEU 38 -10.861 -1.312 2.305 301 HD13 LEU 38 HD13 LEU 38 -9.157 -1.769 2.326 302 HD21 LEU 38 HD21 LEU 38 -10.898 -4.105 4.685 303 HD22 LEU 38 HD22 LEU 38 -9.879 -4.072 3.246 304 HD23 LEU 38 HD23 LEU 38 -11.543 -3.491 3.165 305 H LEU 39 HN LEU 39 -7.674 -1.361 7.881 306 HA LEU 39 HA LEU 39 -5.704 -3.465 8.426 307 HB2 LEU 39 HB2 LEU 39 -5.148 -0.628 7.567 308 HB3 LEU 39 HB1 LEU 39 -3.951 -1.628 8.369 309 HG LEU 39 HG LEU 39 -5.236 -2.224 5.702 310 HD11 LEU 39 HD11 LEU 39 -2.427 -1.375 6.388 311 HD12 LEU 39 HD12 LEU 39 -3.657 -0.343 5.662 312 HD13 LEU 39 HD13 LEU 39 -3.044 -1.741 4.778 313 HD21 LEU 39 HD21 LEU 39 -3.432 -3.971 5.608 314 HD22 LEU 39 HD22 LEU 39 -4.735 -4.298 6.753 315 HD23 LEU 39 HD23 LEU 39 -3.182 -3.697 7.330 316 H MET 40 HN MET 40 -4.814 -3.409 10.485 317 HA MET 40 HA MET 40 -6.190 -1.594 12.352 318 HB2 MET 40 HB2 MET 40 -6.569 -3.991 12.733 319 HB3 MET 40 HB1 MET 40 -4.836 -4.251 12.859 320 HG2 MET 40 HG2 MET 40 -4.798 -2.780 14.839 321 HG3 MET 40 HG1 MET 40 -6.551 -2.634 14.727 322 HE1 MET 40 HE1 MET 40 -4.225 -6.454 15.844 323 HE2 MET 40 HE2 MET 40 -3.517 -4.852 15.642 324 HE3 MET 40 HE3 MET 40 -4.108 -5.739 14.236 325 H SER 41 HN SER 41 -3.094 -3.284 12.040 326 HA SER 41 HA SER 41 -1.791 -1.036 13.399 327 HB2 SER 41 HB2 SER 41 -0.047 -3.272 12.897 328 HB3 SER 41 HB1 SER 41 -0.592 -2.628 14.447 329 HG SER 41 HG SER 41 -1.690 -4.691 12.868 330 HA PRO 42 HA PRO 42 0.114 0.313 9.642 331 HB2 PRO 42 HB2 PRO 42 2.596 1.070 10.566 332 HB3 PRO 42 HB1 PRO 42 1.133 2.049 10.766 333 HG2 PRO 42 HG2 PRO 42 2.481 0.259 12.712 334 HG3 PRO 42 HG1 PRO 42 1.709 1.837 12.968 335 HD2 PRO 42 HD2 PRO 42 0.491 -0.478 13.634 336 HD3 PRO 42 HD1 PRO 42 -0.409 0.939 13.065 337 H SER 43 HN SER 43 1.527 -2.136 11.609 338 HA SER 43 HA SER 43 3.454 -2.941 9.593 339 HB2 SER 43 HB2 SER 43 3.091 -4.722 11.888 340 HB3 SER 43 HB1 SER 43 4.548 -3.910 11.311 341 HG SER 43 HG SER 43 4.250 -2.397 12.737 342 H ASP 44 HN ASP 44 0.252 -3.291 9.770 343 HA ASP 44 HA ASP 44 -0.132 -6.100 9.488 344 HB2 ASP 44 HB2 ASP 44 -1.828 -3.703 8.834 345 HB3 ASP 44 HB1 ASP 44 -2.336 -5.322 8.371 346 H LEU 45 HN LEU 45 1.273 -3.843 7.482 347 HA LEU 45 HA LEU 45 0.448 -4.736 4.920 348 HB2 LEU 45 HB2 LEU 45 2.686 -3.080 5.989 349 HB3 LEU 45 HB1 LEU 45 2.818 -3.694 4.353 350 HG LEU 45 HG LEU 45 1.961 -1.451 4.295 351 HD11 LEU 45 HD11 LEU 45 0.009 -1.762 2.974 352 HD12 LEU 45 HD12 LEU 45 -0.347 -3.304 3.748 353 HD13 LEU 45 HD13 LEU 45 1.060 -3.152 2.697 354 HD21 LEU 45 HD21 LEU 45 1.041 -1.300 6.526 355 HD22 LEU 45 HD22 LEU 45 -0.228 -2.452 6.108 356 HD23 LEU 45 HD23 LEU 45 -0.188 -0.868 5.336 357 H TYR 46 HN TYR 46 2.357 -6.194 7.273 358 HA TYR 46 HA TYR 46 4.012 -7.667 5.377 359 HB2 TYR 46 HB2 TYR 46 3.877 -7.715 8.399 360 HB3 TYR 46 HB1 TYR 46 4.969 -8.706 7.442 361 HD1 TYR 46 HD1 TYR 46 6.981 -7.791 6.533 362 HD2 TYR 46 HD2 TYR 46 4.169 -5.253 8.465 363 HE1 TYR 46 HE1 TYR 46 8.654 -5.984 6.587 364 HE2 TYR 46 HE2 TYR 46 5.831 -3.440 8.517 365 HH TYR 46 HH TYR 46 8.136 -3.063 8.385 366 H SER 47 HN SER 47 0.931 -7.897 6.099 367 HA SER 47 HA SER 47 0.896 -10.813 6.451 368 HB2 SER 47 HB2 SER 47 -1.475 -8.952 6.657 369 HB3 SER 47 HB1 SER 47 -1.341 -10.605 7.254 370 HG SER 47 HG SER 47 -0.984 -8.556 8.683 371 HA PRO 48 HA PRO 48 0.208 -10.569 1.945 372 HB2 PRO 48 HB2 PRO 48 0.560 -13.493 2.233 373 HB3 PRO 48 HB1 PRO 48 1.420 -12.349 1.187 374 HG2 PRO 48 HG2 PRO 48 2.604 -13.425 3.299 375 HG3 PRO 48 HG1 PRO 48 2.904 -11.740 2.830 376 HD2 PRO 48 HD2 PRO 48 1.169 -12.801 5.019 377 HD3 PRO 48 HD1 PRO 48 2.257 -11.398 5.022 378 H GLY 49 HN GLY 49 -1.358 -12.675 4.291 379 HA2 GLY 49 HA2 GLY 49 -3.376 -13.644 2.520 380 HA3 GLY 49 HA1 GLY 49 -3.418 -13.724 4.274 381 H SER 50 HN SER 50 -3.002 -10.731 4.328 382 HA SER 50 HA SER 50 -5.812 -10.068 4.215 383 HB2 SER 50 HB2 SER 50 -3.566 -8.226 5.021 384 HB3 SER 50 HB1 SER 50 -5.260 -8.163 5.510 385 HG SER 50 HG SER 50 -4.248 -9.095 7.199 386 H TRP 51 HN TRP 51 -3.346 -10.014 2.018 387 HA TRP 51 HA TRP 51 -3.665 -7.467 0.827 388 HB2 TRP 51 HB2 TRP 51 -2.615 -10.077 -0.263 389 HB3 TRP 51 HB1 TRP 51 -2.632 -8.587 -1.201 390 HD1 TRP 51 HD1 TRP 51 -1.833 -7.072 1.822 391 HE1 TRP 51 HE1 TRP 51 0.688 -6.991 2.326 392 HE3 TRP 51 HE3 TRP 51 -0.240 -10.654 -1.462 393 HZ2 TRP 51 HZ2 TRP 51 3.040 -8.274 1.441 394 HZ3 TRP 51 HZ3 TRP 51 2.162 -11.166 -1.567 395 HH2 TRP 51 HH2 TRP 51 3.765 -9.999 -0.148 396 H ASP 52 HN ASP 52 -5.282 -10.560 0.296 397 HA ASP 52 HA ASP 52 -6.616 -9.834 -2.070 398 HB2 ASP 52 HB2 ASP 52 -6.464 -12.165 -1.463 399 HB3 ASP 52 HB1 ASP 52 -7.403 -11.887 0.004 400 HA PRO 53 HA PRO 53 -10.541 -8.821 0.711 401 HB2 PRO 53 HB2 PRO 53 -9.730 -7.810 3.197 402 HB3 PRO 53 HB1 PRO 53 -10.482 -9.386 2.902 403 HG2 PRO 53 HG2 PRO 53 -7.629 -8.705 3.290 404 HG3 PRO 53 HG1 PRO 53 -8.532 -10.151 3.781 405 HD2 PRO 53 HD2 PRO 53 -6.866 -10.200 1.684 406 HD3 PRO 53 HD1 PRO 53 -8.381 -11.127 1.695 407 H ILE 54 HN ILE 54 -7.524 -7.057 1.408 408 HA ILE 54 HA ILE 54 -8.700 -4.489 1.438 409 HB ILE 54 HB ILE 54 -5.838 -5.238 0.799 410 HG12 ILE 54 HG12 ILE 54 -7.046 -4.285 3.404 411 HG13 ILE 54 HG11 ILE 54 -6.718 -5.975 3.034 412 HG21 ILE 54 HG21 ILE 54 -6.288 -3.005 0.017 413 HG22 ILE 54 HG22 ILE 54 -5.349 -2.898 1.506 414 HG23 ILE 54 HG23 ILE 54 -7.085 -2.585 1.533 415 HD11 ILE 54 HD11 ILE 54 -4.339 -5.438 2.806 416 HD12 ILE 54 HD12 ILE 54 -4.967 -5.051 4.407 417 HD13 ILE 54 HD13 ILE 54 -4.690 -3.764 3.231 418 H THR 55 HN THR 55 -6.904 -6.188 -1.143 419 HA THR 55 HA THR 55 -7.218 -4.197 -3.098 420 HB THR 55 HB THR 55 -7.045 -7.161 -3.668 421 HG1 THR 55 HG1 THR 55 -5.319 -6.866 -2.370 422 HG21 THR 55 HG21 THR 55 -5.895 -6.457 -5.684 423 HG22 THR 55 HG22 THR 55 -5.985 -4.769 -5.183 424 HG23 THR 55 HG23 THR 55 -7.460 -5.647 -5.588 425 H ALA 56 HN ALA 56 -9.266 -6.913 -2.171 426 HA ALA 56 HA ALA 56 -11.095 -6.789 -4.315 427 HB1 ALA 56 HB1 ALA 56 -12.638 -7.970 -2.705 428 HB2 ALA 56 HB2 ALA 56 -11.369 -7.812 -1.493 429 HB3 ALA 56 HB3 ALA 56 -11.075 -8.741 -2.962 430 H ALA 57 HN ALA 57 -11.322 -5.464 -1.011 431 HA ALA 57 HA ALA 57 -13.751 -4.123 -1.367 432 HB1 ALA 57 HB1 ALA 57 -11.483 -3.429 0.504 433 HB2 ALA 57 HB2 ALA 57 -12.790 -4.565 0.835 434 HB3 ALA 57 HB3 ALA 57 -13.144 -2.850 0.634 435 H LEU 58 HN LEU 58 -10.410 -2.962 -1.716 436 HA LEU 58 HA LEU 58 -10.971 -0.295 -2.290 437 HB2 LEU 58 HB2 LEU 58 -8.690 -2.110 -2.943 438 HB3 LEU 58 HB1 LEU 58 -8.748 -0.513 -3.661 439 HG LEU 58 HG LEU 58 -8.841 -1.007 -0.687 440 HD11 LEU 58 HD11 LEU 58 -6.722 -1.791 -1.697 441 HD12 LEU 58 HD12 LEU 58 -6.506 -0.395 -0.643 442 HD13 LEU 58 HD13 LEU 58 -6.493 -0.186 -2.394 443 HD21 LEU 58 HD21 LEU 58 -8.335 1.363 -0.535 444 HD22 LEU 58 HD22 LEU 58 -9.812 1.117 -1.466 445 HD23 LEU 58 HD23 LEU 58 -8.299 1.487 -2.293 446 H SER 59 HN SER 59 -10.547 -3.017 -4.547 447 HA SER 59 HA SER 59 -10.904 -1.541 -6.903 448 HB2 SER 59 HB2 SER 59 -11.590 -4.445 -6.403 449 HB3 SER 59 HB1 SER 59 -11.355 -3.692 -7.979 450 HG SER 59 HG SER 59 -9.449 -4.199 -5.951 451 H GLN 60 HN GLN 60 -13.225 -3.114 -4.770 452 HA GLN 60 HA GLN 60 -15.487 -2.825 -6.405 453 HB2 GLN 60 HB2 GLN 60 -15.379 -4.281 -4.406 454 HB3 GLN 60 HB1 GLN 60 -15.371 -2.845 -3.389 455 HG2 GLN 60 HG2 GLN 60 -17.572 -2.269 -4.025 456 HG3 GLN 60 HG1 GLN 60 -17.583 -3.461 -5.323 457 HE21 GLN 60 HE21 GLN 60 -16.278 -4.090 -2.150 458 HE22 GLN 60 HE22 GLN 60 -17.495 -5.217 -1.666 459 H ARG 61 HN ARG 61 -14.475 -0.801 -3.629 460 HA ARG 61 HA ARG 61 -16.440 1.175 -4.058 461 HB2 ARG 61 HB2 ARG 61 -14.820 2.652 -2.694 462 HB3 ARG 61 HB1 ARG 61 -15.519 1.239 -1.917 463 HG2 ARG 61 HG2 ARG 61 -13.529 0.269 -1.633 464 HG3 ARG 61 HG1 ARG 61 -12.976 0.710 -3.249 465 HD2 ARG 61 HD2 ARG 61 -13.192 2.751 -1.070 466 HD3 ARG 61 HD1 ARG 61 -11.770 1.720 -1.211 467 HE ARG 61 HE ARG 61 -12.222 2.822 -3.713 468 HH11 ARG 61 HH11 ARG 61 -11.432 3.951 -0.496 469 HH12 ARG 61 HH12 ARG 61 -10.549 5.343 -1.065 470 HH21 ARG 61 HH21 ARG 61 -11.074 4.655 -4.459 471 HH22 ARG 61 HH22 ARG 61 -10.340 5.735 -3.303 472 H ALA 62 HN ALA 62 -13.294 0.688 -5.470 473 HA ALA 62 HA ALA 62 -12.914 3.300 -6.495 474 HB1 ALA 62 HB1 ALA 62 -11.847 0.694 -7.569 475 HB2 ALA 62 HB2 ALA 62 -11.092 1.671 -6.308 476 HB3 ALA 62 HB3 ALA 62 -11.239 2.306 -7.945 477 H MET 63 HN MET 63 -14.569 0.447 -7.752 478 HA MET 63 HA MET 63 -15.098 1.760 -10.287 479 HB2 MET 63 HB2 MET 63 -15.899 -0.286 -11.066 480 HB3 MET 63 HB1 MET 63 -14.645 -0.758 -9.931 481 HG2 MET 63 HG2 MET 63 -16.296 -1.270 -8.251 482 HG3 MET 63 HG1 MET 63 -17.585 -0.682 -9.296 483 HE1 MET 63 HE1 MET 63 -14.429 -3.008 -9.803 484 HE2 MET 63 HE2 MET 63 -15.212 -4.588 -9.840 485 HE3 MET 63 HE3 MET 63 -15.247 -3.622 -8.366 486 H ILE 64 HN ILE 64 -16.691 1.282 -7.250 487 HA ILE 64 HA ILE 64 -19.326 1.843 -8.266 488 HB ILE 64 HB ILE 64 -18.259 1.560 -5.461 489 HG12 ILE 64 HG12 ILE 64 -20.129 -0.139 -7.134 490 HG13 ILE 64 HG11 ILE 64 -18.444 -0.504 -6.782 491 HG21 ILE 64 HG21 ILE 64 -20.587 1.661 -4.685 492 HG22 ILE 64 HG22 ILE 64 -21.104 2.091 -6.314 493 HG23 ILE 64 HG23 ILE 64 -20.069 3.187 -5.400 494 HD11 ILE 64 HD11 ILE 64 -20.705 -0.380 -4.803 495 HD12 ILE 64 HD12 ILE 64 -19.012 -0.649 -4.387 496 HD13 ILE 64 HD13 ILE 64 -19.875 -1.826 -5.378 497 H LEU 65 HN LEU 65 -17.028 3.609 -6.166 498 HA LEU 65 HA LEU 65 -18.672 5.978 -6.302 499 HB2 LEU 65 HB2 LEU 65 -16.052 5.319 -4.996 500 HB3 LEU 65 HB1 LEU 65 -16.616 6.976 -5.095 501 HG LEU 65 HG LEU 65 -18.790 5.981 -3.995 502 HD11 LEU 65 HD11 LEU 65 -16.681 4.040 -3.059 503 HD12 LEU 65 HD12 LEU 65 -18.022 3.646 -4.135 504 HD13 LEU 65 HD13 LEU 65 -18.340 4.151 -2.475 505 HD21 LEU 65 HD21 LEU 65 -16.238 6.453 -2.456 506 HD22 LEU 65 HD22 LEU 65 -17.873 6.517 -1.799 507 HD23 LEU 65 HD23 LEU 65 -17.363 7.695 -3.008 508 H GLY 66 HN GLY 66 -15.900 4.700 -7.956 509 HA2 GLY 66 HA2 GLY 66 -15.105 5.426 -10.035 510 HA3 GLY 66 HA1 GLY 66 -16.019 6.916 -9.838 511 H LYS 67 HN LYS 67 -13.744 5.526 -7.545 512 HA LYS 67 HA LYS 67 -11.770 7.568 -8.189 513 HB2 LYS 67 HB2 LYS 67 -11.544 8.077 -5.718 514 HB3 LYS 67 HB1 LYS 67 -12.984 8.711 -6.494 515 HG2 LYS 67 HG2 LYS 67 -14.385 7.342 -5.331 516 HG3 LYS 67 HG1 LYS 67 -13.184 6.059 -5.171 517 HD2 LYS 67 HD2 LYS 67 -13.081 6.779 -3.033 518 HD3 LYS 67 HD1 LYS 67 -12.016 8.010 -3.710 519 HE2 LYS 67 HE2 LYS 67 -14.990 8.322 -3.333 520 HE3 LYS 67 HE1 LYS 67 -13.772 8.915 -2.206 521 HZ1 LYS 67 HZ1 LYS 67 -14.422 10.703 -3.589 522 HZ2 LYS 67 HZ2 LYS 67 -14.212 9.803 -5.001 523 HZ3 LYS 67 HZ3 LYS 67 -12.867 10.254 -4.082 524 H SER 68 HN SER 68 -9.905 6.533 -8.450 525 HA SER 68 HA SER 68 -9.362 4.180 -6.759 526 HB2 SER 68 HB2 SER 68 -7.823 3.585 -8.813 527 HB3 SER 68 HB1 SER 68 -9.550 3.229 -8.866 528 HG SER 68 HG SER 68 -9.803 4.670 -10.381 529 H GLY 69 HN GLY 69 -8.676 7.077 -6.400 530 HA2 GLY 69 HA2 GLY 69 -5.974 7.579 -6.919 531 HA3 GLY 69 HA1 GLY 69 -6.903 8.308 -5.617 532 H GLU 70 HN GLU 70 -7.450 6.306 -3.938 533 HA GLU 70 HA GLU 70 -4.934 5.818 -2.695 534 HB2 GLU 70 HB2 GLU 70 -7.562 4.513 -1.976 535 HB3 GLU 70 HB1 GLU 70 -6.180 4.796 -0.926 536 HG2 GLU 70 HG2 GLU 70 -7.367 6.556 -0.226 537 HG3 GLU 70 HG1 GLU 70 -6.757 7.326 -1.690 538 H LEU 71 HN LEU 71 -6.883 4.089 -4.927 539 HA LEU 71 HA LEU 71 -5.961 1.461 -4.358 540 HB2 LEU 71 HB2 LEU 71 -8.040 2.028 -5.644 541 HB3 LEU 71 HB1 LEU 71 -7.021 2.528 -6.976 542 HG LEU 71 HG LEU 71 -6.633 -0.237 -5.955 543 HD11 LEU 71 HD11 LEU 71 -8.998 0.572 -7.640 544 HD12 LEU 71 HD12 LEU 71 -9.066 -0.029 -5.983 545 HD13 LEU 71 HD13 LEU 71 -8.497 -1.080 -7.281 546 HD21 LEU 71 HD21 LEU 71 -6.277 -0.695 -8.316 547 HD22 LEU 71 HD22 LEU 71 -5.288 0.670 -7.800 548 HD23 LEU 71 HD23 LEU 71 -6.763 0.948 -8.728 549 H LYS 72 HN LYS 72 -4.896 4.040 -6.514 550 HA LYS 72 HA LYS 72 -2.988 2.651 -7.999 551 HB2 LYS 72 HB2 LYS 72 -3.157 5.531 -7.131 552 HB3 LYS 72 HB1 LYS 72 -1.832 4.942 -8.125 553 HG2 LYS 72 HG2 LYS 72 -3.608 4.110 -9.733 554 HG3 LYS 72 HG1 LYS 72 -4.749 5.093 -8.812 555 HD2 LYS 72 HD2 LYS 72 -2.211 6.141 -10.063 556 HD3 LYS 72 HD1 LYS 72 -3.804 6.240 -10.817 557 HE2 LYS 72 HE2 LYS 72 -4.570 7.799 -9.304 558 HE3 LYS 72 HE1 LYS 72 -3.441 7.291 -8.052 559 HZ1 LYS 72 HZ1 LYS 72 -1.695 8.441 -9.063 560 HZ2 LYS 72 HZ2 LYS 72 -3.008 9.500 -9.162 561 HZ3 LYS 72 HZ3 LYS 72 -2.527 8.626 -10.528 562 H THR 73 HN THR 73 -2.652 4.400 -4.942 563 HA THR 73 HA THR 73 0.087 3.984 -4.562 564 HB THR 73 HB THR 73 -1.775 4.039 -2.219 565 HG1 THR 73 HG1 THR 73 -1.462 6.039 -4.202 566 HG21 THR 73 HG21 THR 73 0.762 5.557 -2.860 567 HG22 THR 73 HG22 THR 73 0.679 4.080 -1.899 568 HG23 THR 73 HG23 THR 73 -0.097 5.554 -1.319 569 H TRP 74 HN TRP 74 -2.726 2.113 -3.489 570 HA TRP 74 HA TRP 74 -1.330 0.148 -2.064 571 HB2 TRP 74 HB2 TRP 74 -3.701 0.364 -1.760 572 HB3 TRP 74 HB1 TRP 74 -4.002 0.067 -3.469 573 HD1 TRP 74 HD1 TRP 74 -4.616 -2.350 -4.077 574 HE1 TRP 74 HE1 TRP 74 -4.460 -4.646 -2.912 575 HE3 TRP 74 HE3 TRP 74 -2.040 -0.948 0.102 576 HZ2 TRP 74 HZ2 TRP 74 -3.380 -5.708 -0.536 577 HZ3 TRP 74 HZ3 TRP 74 -1.485 -2.667 1.772 578 HH2 TRP 74 HH2 TRP 74 -2.143 -4.994 1.460 579 H GLY 75 HN GLY 75 -2.474 0.183 -5.425 580 HA2 GLY 75 HA2 GLY 75 -1.647 -2.372 -6.166 581 HA3 GLY 75 HA1 GLY 75 -1.806 -1.011 -7.265 582 H LEU 76 HN LEU 76 0.194 0.656 -6.213 583 HA LEU 76 HA LEU 76 2.478 -0.448 -7.484 584 HB2 LEU 76 HB2 LEU 76 2.180 1.997 -5.736 585 HB3 LEU 76 HB1 LEU 76 3.620 1.607 -6.658 586 HG LEU 76 HG LEU 76 0.903 2.117 -7.876 587 HD11 LEU 76 HD11 LEU 76 1.878 4.121 -6.792 588 HD12 LEU 76 HD12 LEU 76 1.734 4.271 -8.542 589 HD13 LEU 76 HD13 LEU 76 3.305 3.937 -7.813 590 HD21 LEU 76 HD21 LEU 76 2.232 0.684 -9.266 591 HD22 LEU 76 HD22 LEU 76 3.637 1.732 -9.078 592 HD23 LEU 76 HD23 LEU 76 2.225 2.301 -9.970 593 H VAL 77 HN VAL 77 1.602 0.056 -4.090 594 HA VAL 77 HA VAL 77 4.084 -0.859 -3.035 595 HB VAL 77 HB VAL 77 1.361 -0.670 -1.727 596 HG11 VAL 77 HG11 VAL 77 4.072 -1.230 -0.538 597 HG12 VAL 77 HG12 VAL 77 2.632 -2.244 -0.466 598 HG13 VAL 77 HG13 VAL 77 2.679 -0.713 0.410 599 HG21 VAL 77 HG21 VAL 77 2.287 1.364 -0.690 600 HG22 VAL 77 HG22 VAL 77 2.203 1.484 -2.448 601 HG23 VAL 77 HG23 VAL 77 3.748 1.172 -1.657 602 H LEU 78 HN LEU 78 0.961 -2.369 -3.634 603 HA LEU 78 HA LEU 78 1.392 -4.859 -2.477 604 HB2 LEU 78 HB2 LEU 78 -0.775 -4.009 -3.311 605 HB3 LEU 78 HB1 LEU 78 -0.202 -4.204 -4.955 606 HG LEU 78 HG LEU 78 -0.015 -6.649 -4.560 607 HD11 LEU 78 HD11 LEU 78 -1.296 -5.933 -1.935 608 HD12 LEU 78 HD12 LEU 78 0.268 -6.710 -2.184 609 HD13 LEU 78 HD13 LEU 78 -1.220 -7.567 -2.592 610 HD21 LEU 78 HD21 LEU 78 -1.973 -5.755 -5.658 611 HD22 LEU 78 HD22 LEU 78 -2.723 -5.402 -4.101 612 HD23 LEU 78 HD23 LEU 78 -2.446 -7.074 -4.587 613 H GLY 79 HN GLY 79 2.119 -3.721 -5.763 614 HA2 GLY 79 HA2 GLY 79 3.019 -6.166 -6.811 615 HA3 GLY 79 HA1 GLY 79 3.491 -4.575 -7.395 616 H ALA 80 HN ALA 80 4.736 -3.639 -5.046 617 HA ALA 80 HA ALA 80 7.318 -4.792 -5.363 618 HB1 ALA 80 HB1 ALA 80 6.328 -2.834 -3.290 619 HB2 ALA 80 HB2 ALA 80 7.001 -2.416 -4.866 620 HB3 ALA 80 HB3 ALA 80 8.017 -3.194 -3.654 621 H LEU 81 HN LEU 81 4.844 -4.938 -2.842 622 HA LEU 81 HA LEU 81 6.368 -6.414 -0.977 623 HB2 LEU 81 HB2 LEU 81 3.388 -6.173 -1.352 624 HB3 LEU 81 HB1 LEU 81 4.130 -7.014 -0.006 625 HG LEU 81 HG LEU 81 4.391 -4.070 -0.623 626 HD11 LEU 81 HD11 LEU 81 2.993 -5.508 1.632 627 HD12 LEU 81 HD12 LEU 81 2.202 -4.729 0.262 628 HD13 LEU 81 HD13 LEU 81 3.110 -3.760 1.422 629 HD21 LEU 81 HD21 LEU 81 6.446 -4.812 0.345 630 HD22 LEU 81 HD22 LEU 81 5.594 -5.749 1.570 631 HD23 LEU 81 HD23 LEU 81 5.521 -3.988 1.600 632 H LYS 82 HN LYS 82 4.081 -7.423 -3.503 633 HA LYS 82 HA LYS 82 4.081 -10.166 -2.925 634 HB2 LYS 82 HB2 LYS 82 3.611 -8.636 -5.480 635 HB3 LYS 82 HB1 LYS 82 3.541 -10.391 -5.436 636 HG2 LYS 82 HG2 LYS 82 1.807 -10.185 -3.636 637 HG3 LYS 82 HG1 LYS 82 1.786 -8.450 -3.962 638 HD2 LYS 82 HD2 LYS 82 1.170 -8.888 -6.285 639 HD3 LYS 82 HD1 LYS 82 1.218 -10.623 -5.980 640 HE2 LYS 82 HE2 LYS 82 -0.591 -10.354 -4.329 641 HE3 LYS 82 HE1 LYS 82 -0.653 -8.634 -4.699 642 HZ1 LYS 82 HZ1 LYS 82 -1.248 -9.200 -6.986 643 HZ2 LYS 82 HZ2 LYS 82 -2.369 -9.830 -5.889 644 HZ3 LYS 82 HZ3 LYS 82 -1.220 -10.846 -6.599 645 H ALA 83 HN ALA 83 6.095 -8.310 -5.187 646 HA ALA 83 HA ALA 83 7.637 -10.444 -6.135 647 HB1 ALA 83 HB1 ALA 83 8.487 -7.565 -5.848 648 HB2 ALA 83 HB2 ALA 83 7.525 -8.208 -7.178 649 HB3 ALA 83 HB3 ALA 83 9.180 -8.767 -6.935 650 H ALA 84 HN ALA 84 8.081 -8.325 -3.344 651 HA ALA 84 HA ALA 84 10.656 -9.281 -2.649 652 HB1 ALA 84 HB1 ALA 84 8.664 -8.030 -0.770 653 HB2 ALA 84 HB2 ALA 84 9.639 -7.107 -1.914 654 HB3 ALA 84 HB3 ALA 84 10.423 -8.037 -0.638 655 H ARG 85 HN ARG 85 7.487 -10.517 -2.147 656 HA ARG 85 HA ARG 85 8.328 -12.310 -0.009 657 HB2 ARG 85 HB2 ARG 85 5.745 -11.431 -1.152 658 HB3 ARG 85 HB1 ARG 85 5.799 -13.100 -0.598 659 HG2 ARG 85 HG2 ARG 85 6.729 -10.854 1.153 660 HG3 ARG 85 HG1 ARG 85 5.023 -11.297 1.044 661 HD2 ARG 85 HD2 ARG 85 5.436 -13.469 1.877 662 HD3 ARG 85 HD1 ARG 85 7.179 -13.296 1.669 663 HE ARG 85 HE ARG 85 6.779 -11.393 3.429 664 HH11 ARG 85 HH11 ARG 85 5.156 -14.679 5.078 665 HH12 ARG 85 HH12 ARG 85 5.323 -14.582 3.354 666 HH21 ARG 85 HH21 ARG 85 5.858 -12.928 6.411 667 HH22 ARG 85 HH22 ARG 85 6.561 -11.518 5.682 668 H GLU 86 HN GLU 86 7.895 -12.301 -3.427 669 HA GLU 86 HA GLU 86 7.545 -15.119 -3.756 670 HB2 GLU 86 HB2 GLU 86 8.325 -12.920 -5.665 671 HB3 GLU 86 HB1 GLU 86 8.167 -14.602 -6.159 672 HG2 GLU 86 HG2 GLU 86 5.836 -14.594 -5.442 673 HG3 GLU 86 HG1 GLU 86 5.992 -12.907 -4.958 674 H GLU 87 HN GLU 87 10.293 -12.944 -3.688 675 HA GLU 87 HA GLU 87 12.147 -15.044 -4.435 676 HB2 GLU 87 HB2 GLU 87 12.469 -12.141 -3.707 677 HB3 GLU 87 HB1 GLU 87 13.852 -13.207 -3.904 678 HG2 GLU 87 HG2 GLU 87 11.839 -13.105 -6.080 679 HG3 GLU 87 HG1 GLU 87 12.937 -11.742 -5.887 680 H1 FGV 101 H1 IP3 1 13.271 10.132 -1.059 681 H2 FGV 101 H2 IP3 1 13.944 8.657 0.810 682 H3 FGV 101 H3 IP3 1 13.034 10.879 1.361 683 H4 FGV 101 H4 IP3 1 10.316 9.491 1.528 684 H5 FGV 101 H5 IP3 1 11.327 11.631 -0.395 685 H6 FGV 101 H6 IP3 1 10.571 8.702 -0.910 686 H11 FGV 101 H11 IP3 1 16.062 7.314 -3.649 687 H12 FGV 101 H12 IP3 1 12.084 7.173 0.091 688 H14 FGV 101 H14 IP3 1 10.186 12.101 1.491 689 H16 FGV 101 H16 IP3 1 10.578 10.852 -2.397 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 2.498 6.378 9.561 2 H2 SER 1 HT2 SER 1 2.175 5.391 10.897 3 H3 SER 1 HT3 SER 1 3.488 5.049 9.895 4 HA SER 1 HA SER 1 3.218 7.520 11.478 5 HB2 SER 1 HB2 SER 1 5.280 5.631 12.319 6 HB3 SER 1 HB1 SER 1 4.070 6.483 13.281 7 HG SER 1 HG SER 1 3.484 4.401 13.448 8 H GLU 2 HN GLU 2 5.955 5.390 10.589 9 HA GLU 2 HA GLU 2 6.919 7.114 8.553 10 HB2 GLU 2 HB2 GLU 2 8.768 8.171 9.625 11 HB3 GLU 2 HB1 GLU 2 7.341 8.515 10.585 12 HG2 GLU 2 HG2 GLU 2 9.404 6.419 11.238 13 HG3 GLU 2 HG1 GLU 2 9.333 8.030 11.943 14 H ALA 3 HN ALA 3 7.868 4.751 11.031 15 HA ALA 3 HA ALA 3 10.158 3.734 9.851 16 HB1 ALA 3 HB1 ALA 3 9.814 1.740 11.186 17 HB2 ALA 3 HB2 ALA 3 8.123 2.169 11.436 18 HB3 ALA 3 HB3 ALA 3 9.399 3.176 12.122 19 H VAL 4 HN VAL 4 6.899 2.305 9.572 20 HA VAL 4 HA VAL 4 7.620 0.395 7.646 21 HB VAL 4 HB VAL 4 4.881 1.616 7.995 22 HG11 VAL 4 HG11 VAL 4 5.696 -1.110 6.996 23 HG12 VAL 4 HG12 VAL 4 5.183 0.234 5.977 24 HG13 VAL 4 HG13 VAL 4 4.053 -0.482 7.126 25 HG21 VAL 4 HG21 VAL 4 5.879 0.811 10.134 26 HG22 VAL 4 HG22 VAL 4 6.010 -0.794 9.415 27 HG23 VAL 4 HG23 VAL 4 4.424 -0.060 9.649 28 H ILE 5 HN ILE 5 6.565 3.732 7.350 29 HA ILE 5 HA ILE 5 6.024 3.765 4.601 30 HB ILE 5 HB ILE 5 7.052 6.015 6.336 31 HG12 ILE 5 HG12 ILE 5 4.246 5.219 5.543 32 HG13 ILE 5 HG11 ILE 5 4.951 5.048 7.143 33 HG21 ILE 5 HG21 ILE 5 5.703 6.113 3.639 34 HG22 ILE 5 HG22 ILE 5 7.394 6.488 3.971 35 HG23 ILE 5 HG23 ILE 5 6.119 7.509 4.635 36 HD11 ILE 5 HD11 ILE 5 3.441 6.963 6.979 37 HD12 ILE 5 HD12 ILE 5 4.472 7.661 5.730 38 HD13 ILE 5 HD13 ILE 5 5.089 7.454 7.370 39 H LYS 6 HN LYS 6 9.043 4.419 6.381 40 HA LYS 6 HA LYS 6 10.599 5.015 4.101 41 HB2 LYS 6 HB2 LYS 6 11.026 4.777 6.900 42 HB3 LYS 6 HB1 LYS 6 12.219 3.765 6.101 43 HG2 LYS 6 HG2 LYS 6 11.745 6.688 5.557 44 HG3 LYS 6 HG1 LYS 6 13.062 6.012 6.512 45 HD2 LYS 6 HD2 LYS 6 13.769 4.746 4.464 46 HD3 LYS 6 HD1 LYS 6 12.565 5.666 3.556 47 HE2 LYS 6 HE2 LYS 6 13.752 7.729 4.598 48 HE3 LYS 6 HE1 LYS 6 15.088 6.611 4.869 49 HZ1 LYS 6 HZ1 LYS 6 15.284 7.830 2.766 50 HZ2 LYS 6 HZ2 LYS 6 13.827 7.156 2.235 51 HZ3 LYS 6 HZ3 LYS 6 15.164 6.158 2.513 52 H VAL 7 HN VAL 7 9.923 1.996 5.799 53 HA VAL 7 HA VAL 7 11.707 0.347 4.380 54 HB VAL 7 HB VAL 7 9.051 -0.404 5.625 55 HG11 VAL 7 HG11 VAL 7 9.936 -2.674 5.722 56 HG12 VAL 7 HG12 VAL 7 11.401 -2.146 4.893 57 HG13 VAL 7 HG13 VAL 7 9.850 -2.102 4.056 58 HG21 VAL 7 HG21 VAL 7 10.636 0.660 7.195 59 HG22 VAL 7 HG22 VAL 7 11.831 -0.572 6.784 60 HG23 VAL 7 HG23 VAL 7 10.328 -1.034 7.580 61 H ILE 8 HN ILE 8 8.298 1.155 3.802 62 HA ILE 8 HA ILE 8 8.020 -0.435 1.466 63 HB ILE 8 HB ILE 8 6.452 2.011 2.321 64 HG12 ILE 8 HG12 ILE 8 6.334 0.153 3.933 65 HG13 ILE 8 HG11 ILE 8 4.786 0.412 3.136 66 HG21 ILE 8 HG21 ILE 8 4.708 1.210 0.783 67 HG22 ILE 8 HG22 ILE 8 5.798 -0.060 0.226 68 HG23 ILE 8 HG23 ILE 8 6.198 1.633 -0.063 69 HD11 ILE 8 HD11 ILE 8 5.291 -1.472 1.633 70 HD12 ILE 8 HD12 ILE 8 5.209 -1.938 3.333 71 HD13 ILE 8 HD13 ILE 8 6.774 -1.759 2.539 72 H SER 9 HN SER 9 8.800 2.982 2.005 73 HA SER 9 HA SER 9 8.855 3.852 -0.625 74 HB2 SER 9 HB2 SER 9 9.029 5.341 1.359 75 HB3 SER 9 HB1 SER 9 10.676 4.764 1.621 76 HG SER 9 HG SER 9 9.772 6.036 -0.757 77 H SER 10 HN SER 10 11.632 2.721 1.318 78 HA SER 10 HA SER 10 13.543 2.799 -0.699 79 HB2 SER 10 HB2 SER 10 13.481 0.740 1.515 80 HB3 SER 10 HB1 SER 10 14.895 1.429 0.717 81 HG SER 10 HG SER 10 13.188 2.570 2.636 82 H ALA 11 HN ALA 11 11.286 0.215 0.176 83 HA ALA 11 HA ALA 11 12.305 -1.749 -1.562 84 HB1 ALA 11 HB1 ALA 11 10.827 -2.334 0.257 85 HB2 ALA 11 HB2 ALA 11 10.124 -2.857 -1.273 86 HB3 ALA 11 HB3 ALA 11 9.514 -1.409 -0.469 87 H CYS 12 HN CYS 12 9.541 0.499 -2.016 88 HA CYS 12 HA CYS 12 9.053 -0.384 -4.661 89 HB2 CYS 12 HB2 CYS 12 7.608 1.560 -4.881 90 HB3 CYS 12 HB1 CYS 12 7.337 0.749 -3.346 91 HG CYS 12 HG CYS 12 9.405 2.819 -2.350 92 H LYS 13 HN LYS 13 11.294 1.928 -3.335 93 HA LYS 13 HA LYS 13 11.835 3.296 -5.784 94 HB2 LYS 13 HB2 LYS 13 13.385 3.028 -3.205 95 HB3 LYS 13 HB1 LYS 13 13.978 3.963 -4.572 96 HG2 LYS 13 HG2 LYS 13 11.292 4.487 -3.349 97 HG3 LYS 13 HG1 LYS 13 12.768 5.212 -2.714 98 HD2 LYS 13 HD2 LYS 13 13.200 6.303 -4.815 99 HD3 LYS 13 HD1 LYS 13 11.848 5.465 -5.576 100 HE2 LYS 13 HE2 LYS 13 10.261 6.676 -4.322 101 HE3 LYS 13 HE1 LYS 13 11.483 7.268 -3.200 102 HZ1 LYS 13 HZ1 LYS 13 11.296 9.089 -4.491 103 HZ2 LYS 13 HZ2 LYS 13 10.777 8.235 -5.854 104 HZ3 LYS 13 HZ3 LYS 13 12.419 8.270 -5.453 105 H THR 14 HN THR 14 12.641 0.250 -4.540 106 HA THR 14 HA THR 14 14.953 -0.064 -6.299 107 HB THR 14 HB THR 14 13.863 -2.065 -4.317 108 HG1 THR 14 HG1 THR 14 14.469 -0.135 -3.226 109 HG21 THR 14 HG21 THR 14 16.580 -1.774 -5.600 110 HG22 THR 14 HG22 THR 14 15.376 -2.999 -5.994 111 HG23 THR 14 HG23 THR 14 16.133 -2.988 -4.402 112 H TYR 15 HN TYR 15 11.663 -1.224 -5.822 113 HA TYR 15 HA TYR 15 11.906 -3.150 -7.975 114 HB2 TYR 15 HB2 TYR 15 9.661 -2.417 -6.106 115 HB3 TYR 15 HB1 TYR 15 9.422 -3.506 -7.468 116 HD1 TYR 15 HD1 TYR 15 10.335 -3.280 -4.059 117 HD2 TYR 15 HD2 TYR 15 11.032 -5.553 -7.585 118 HE1 TYR 15 HE1 TYR 15 11.128 -5.153 -2.684 119 HE2 TYR 15 HE2 TYR 15 11.830 -7.438 -6.219 120 HH TYR 15 HH TYR 15 12.582 -8.003 -4.116 121 H CYS 16 HN CYS 16 9.962 -0.216 -7.343 122 HA CYS 16 HA CYS 16 9.079 -0.201 -10.114 123 HB2 CYS 16 HB2 CYS 16 8.466 1.805 -7.941 124 HB3 CYS 16 HB1 CYS 16 7.610 1.597 -9.464 125 HG CYS 16 HG CYS 16 6.369 -0.727 -8.829 126 H GLY 17 HN GLY 17 11.548 1.159 -8.221 127 HA2 GLY 17 HA2 GLY 17 13.316 2.496 -8.815 128 HA3 GLY 17 HA1 GLY 17 12.701 2.493 -10.460 129 H LYS 18 HN LYS 18 12.523 4.515 -11.113 130 HA LYS 18 HA LYS 18 12.080 6.702 -9.333 131 HB2 LYS 18 HB2 LYS 18 11.973 8.049 -11.434 132 HB3 LYS 18 HB1 LYS 18 13.423 7.070 -11.280 133 HG2 LYS 18 HG2 LYS 18 12.352 5.375 -12.764 134 HG3 LYS 18 HG1 LYS 18 11.026 6.507 -13.008 135 HD2 LYS 18 HD2 LYS 18 13.912 7.122 -13.624 136 HD3 LYS 18 HD1 LYS 18 12.748 6.537 -14.814 137 HE2 LYS 18 HE2 LYS 18 11.317 8.510 -14.254 138 HE3 LYS 18 HE1 LYS 18 12.644 9.115 -13.264 139 HZ1 LYS 18 HZ1 LYS 18 14.044 9.059 -15.281 140 HZ2 LYS 18 HZ2 LYS 18 12.743 10.133 -15.405 141 HZ3 LYS 18 HZ3 LYS 18 12.683 8.638 -16.191 142 H THR 19 HN THR 19 9.989 4.604 -11.063 143 HA THR 19 HA THR 19 7.741 6.452 -11.001 144 HB THR 19 HB THR 19 6.900 3.836 -11.706 145 HG1 THR 19 HG1 THR 19 8.728 3.030 -12.423 146 HG21 THR 19 HG21 THR 19 5.994 5.909 -12.620 147 HG22 THR 19 HG22 THR 19 6.573 4.868 -13.924 148 HG23 THR 19 HG23 THR 19 7.532 6.254 -13.405 149 H SER 20 HN SER 20 8.706 5.933 -8.467 150 HA SER 20 HA SER 20 6.918 3.938 -7.292 151 HB2 SER 20 HB2 SER 20 8.379 4.656 -5.210 152 HB3 SER 20 HB1 SER 20 9.035 3.565 -6.431 153 HG SER 20 HG SER 20 10.368 5.074 -7.101 154 HA PRO 21 HA PRO 21 4.190 7.010 -5.650 155 HB2 PRO 21 HB2 PRO 21 3.356 5.773 -3.375 156 HB3 PRO 21 HB1 PRO 21 2.823 5.265 -4.990 157 HG2 PRO 21 HG2 PRO 21 4.921 4.082 -3.240 158 HG3 PRO 21 HG1 PRO 21 3.697 3.275 -4.241 159 HD2 PRO 21 HD2 PRO 21 6.279 3.540 -5.023 160 HD3 PRO 21 HD1 PRO 21 4.923 3.507 -6.168 161 H SER 22 HN SER 22 4.199 8.710 -4.214 162 HA SER 22 HA SER 22 6.640 9.042 -2.691 163 HB2 SER 22 HB2 SER 22 5.754 11.341 -2.306 164 HB3 SER 22 HB1 SER 22 5.836 10.916 -4.013 165 HG SER 22 HG SER 22 3.592 10.435 -3.928 166 H LYS 23 HN LYS 23 6.557 9.880 -0.440 167 HA LYS 23 HA LYS 23 5.159 8.144 1.269 168 HB2 LYS 23 HB2 LYS 23 5.991 9.535 3.089 169 HB3 LYS 23 HB1 LYS 23 7.254 9.302 1.888 170 HG2 LYS 23 HG2 LYS 23 6.740 11.519 0.950 171 HG3 LYS 23 HG1 LYS 23 5.540 11.749 2.223 172 HD2 LYS 23 HD2 LYS 23 7.289 11.560 3.912 173 HD3 LYS 23 HD1 LYS 23 8.492 11.299 2.648 174 HE2 LYS 23 HE2 LYS 23 7.372 13.582 1.775 175 HE3 LYS 23 HE1 LYS 23 7.138 13.776 3.510 176 HZ1 LYS 23 HZ1 LYS 23 9.721 13.272 2.140 177 HZ2 LYS 23 HZ2 LYS 23 9.517 13.400 3.817 178 HZ3 LYS 23 HZ3 LYS 23 9.223 14.735 2.823 179 H LYS 24 HN LYS 24 4.354 11.230 -0.082 180 HA LYS 24 HA LYS 24 2.311 12.048 1.660 181 HB2 LYS 24 HB2 LYS 24 2.534 12.552 -1.318 182 HB3 LYS 24 HB1 LYS 24 1.578 13.489 -0.176 183 HG2 LYS 24 HG2 LYS 24 3.502 14.385 0.854 184 HG3 LYS 24 HG1 LYS 24 4.559 13.214 0.064 185 HD2 LYS 24 HD2 LYS 24 2.976 15.348 -1.370 186 HD3 LYS 24 HD1 LYS 24 4.683 15.478 -0.939 187 HE2 LYS 24 HE2 LYS 24 5.027 13.339 -2.257 188 HE3 LYS 24 HE1 LYS 24 3.387 13.563 -2.863 189 HZ1 LYS 24 HZ1 LYS 24 4.098 15.768 -3.679 190 HZ2 LYS 24 HZ2 LYS 24 4.921 14.487 -4.415 191 HZ3 LYS 24 HZ3 LYS 24 5.685 15.400 -3.218 192 H GLU 25 HN GLU 25 2.361 9.845 -1.051 193 HA GLU 25 HA GLU 25 -0.515 9.511 -1.067 194 HB2 GLU 25 HB2 GLU 25 1.612 7.941 -2.541 195 HB3 GLU 25 HB1 GLU 25 -0.113 7.948 -2.883 196 HG2 GLU 25 HG2 GLU 25 -0.047 10.163 -3.693 197 HG3 GLU 25 HG1 GLU 25 1.570 10.432 -3.045 198 H ILE 26 HN ILE 26 2.361 7.747 -0.053 199 HA ILE 26 HA ILE 26 1.107 5.330 0.647 200 HB ILE 26 HB ILE 26 3.635 6.559 1.761 201 HG12 ILE 26 HG12 ILE 26 3.274 4.433 -0.361 202 HG13 ILE 26 HG11 ILE 26 3.584 6.132 -0.701 203 HG21 ILE 26 HG21 ILE 26 2.790 4.870 3.280 204 HG22 ILE 26 HG22 ILE 26 4.230 4.280 2.450 205 HG23 ILE 26 HG23 ILE 26 2.632 3.723 1.949 206 HD11 ILE 26 HD11 ILE 26 5.423 4.281 0.797 207 HD12 ILE 26 HD12 ILE 26 5.733 5.977 0.429 208 HD13 ILE 26 HD13 ILE 26 5.608 4.801 -0.877 209 H GLY 27 HN GLY 27 1.862 8.211 2.601 210 HA2 GLY 27 HA2 GLY 27 0.968 7.226 5.071 211 HA3 GLY 27 HA1 GLY 27 1.043 8.923 4.621 212 H ALA 28 HN ALA 28 -0.774 9.011 2.555 213 HA ALA 28 HA ALA 28 -3.221 9.195 3.938 214 HB1 ALA 28 HB1 ALA 28 -2.624 10.568 1.968 215 HB2 ALA 28 HB2 ALA 28 -4.196 9.782 1.810 216 HB3 ALA 28 HB3 ALA 28 -2.797 9.135 0.955 217 H MET 29 HN MET 29 -1.911 6.805 1.703 218 HA MET 29 HA MET 29 -4.187 5.191 1.427 219 HB2 MET 29 HB2 MET 29 -2.084 5.059 0.059 220 HB3 MET 29 HB1 MET 29 -1.304 4.285 1.429 221 HG2 MET 29 HG2 MET 29 -3.132 2.531 1.287 222 HG3 MET 29 HG1 MET 29 -3.536 3.236 -0.277 223 HE1 MET 29 HE1 MET 29 0.321 0.969 0.790 224 HE2 MET 29 HE2 MET 29 -1.202 0.832 1.669 225 HE3 MET 29 HE3 MET 29 -0.284 2.338 1.723 226 H LEU 30 HN LEU 30 -1.535 5.130 3.773 227 HA LEU 30 HA LEU 30 -2.316 2.810 5.157 228 HB2 LEU 30 HB2 LEU 30 -0.462 5.032 5.568 229 HB3 LEU 30 HB1 LEU 30 -1.105 4.385 7.063 230 HG LEU 30 HG LEU 30 -0.300 2.152 6.459 231 HD11 LEU 30 HD11 LEU 30 0.865 3.500 4.032 232 HD12 LEU 30 HD12 LEU 30 -0.445 2.319 4.039 233 HD13 LEU 30 HD13 LEU 30 1.176 1.841 4.541 234 HD21 LEU 30 HD21 LEU 30 1.139 3.578 7.773 235 HD22 LEU 30 HD22 LEU 30 1.794 4.311 6.309 236 HD23 LEU 30 HD23 LEU 30 2.106 2.611 6.661 237 H SER 31 HN SER 31 -3.293 6.160 5.446 238 HA SER 31 HA SER 31 -4.728 5.857 7.885 239 HB2 SER 31 HB2 SER 31 -5.054 7.947 5.722 240 HB3 SER 31 HB1 SER 31 -5.651 8.063 7.378 241 HG SER 31 HG SER 31 -2.914 7.796 6.645 242 H LEU 32 HN LEU 32 -5.543 5.562 4.483 243 HA LEU 32 HA LEU 32 -8.345 5.466 4.708 244 HB2 LEU 32 HB2 LEU 32 -6.770 5.593 2.619 245 HB3 LEU 32 HB1 LEU 32 -6.826 3.847 2.682 246 HG LEU 32 HG LEU 32 -8.416 4.971 1.070 247 HD11 LEU 32 HD11 LEU 32 -8.686 2.654 1.753 248 HD12 LEU 32 HD12 LEU 32 -10.247 3.443 1.538 249 HD13 LEU 32 HD13 LEU 32 -9.614 3.168 3.161 250 HD21 LEU 32 HD21 LEU 32 -10.037 5.575 3.529 251 HD22 LEU 32 HD22 LEU 32 -10.385 6.006 1.856 252 HD23 LEU 32 HD23 LEU 32 -9.048 6.780 2.707 253 H LEU 33 HN LEU 33 -5.879 2.936 4.774 254 HA LEU 33 HA LEU 33 -7.625 0.737 5.030 255 HB2 LEU 33 HB2 LEU 33 -4.781 0.996 6.010 256 HB3 LEU 33 HB1 LEU 33 -5.643 -0.503 5.709 257 HG LEU 33 HG LEU 33 -5.151 1.496 3.513 258 HD11 LEU 33 HD11 LEU 33 -2.991 0.879 4.532 259 HD12 LEU 33 HD12 LEU 33 -3.166 0.274 2.887 260 HD13 LEU 33 HD13 LEU 33 -3.370 -0.820 4.257 261 HD21 LEU 33 HD21 LEU 33 -5.700 -1.470 3.536 262 HD22 LEU 33 HD22 LEU 33 -5.399 -0.495 2.098 263 HD23 LEU 33 HD23 LEU 33 -6.835 -0.199 3.079 264 H GLN 34 HN GLN 34 -6.445 3.047 7.318 265 HA GLN 34 HA GLN 34 -7.008 1.469 9.658 266 HB2 GLN 34 HB2 GLN 34 -6.268 4.346 9.199 267 HB3 GLN 34 HB1 GLN 34 -6.714 3.752 10.793 268 HG2 GLN 34 HG2 GLN 34 -4.518 2.519 9.159 269 HG3 GLN 34 HG1 GLN 34 -4.248 3.860 10.270 270 HE21 GLN 34 HE21 GLN 34 -3.114 1.237 10.401 271 HE22 GLN 34 HE22 GLN 34 -3.624 0.542 11.903 272 H LYS 35 HN LYS 35 -8.523 4.315 8.143 273 HA LYS 35 HA LYS 35 -10.641 4.461 10.014 274 HB2 LYS 35 HB2 LYS 35 -11.667 6.057 8.478 275 HB3 LYS 35 HB1 LYS 35 -9.959 6.399 8.701 276 HG2 LYS 35 HG2 LYS 35 -9.413 5.536 6.562 277 HG3 LYS 35 HG1 LYS 35 -11.030 4.870 6.344 278 HD2 LYS 35 HD2 LYS 35 -10.489 7.816 6.674 279 HD3 LYS 35 HD1 LYS 35 -10.572 7.016 5.103 280 HE2 LYS 35 HE2 LYS 35 -12.849 6.397 5.458 281 HE3 LYS 35 HE1 LYS 35 -12.790 6.913 7.143 282 HZ1 LYS 35 HZ1 LYS 35 -12.621 8.665 4.752 283 HZ2 LYS 35 HZ2 LYS 35 -12.417 9.195 6.344 284 HZ3 LYS 35 HZ3 LYS 35 -13.903 8.561 5.845 285 H GLU 36 HN GLU 36 -10.284 2.697 7.002 286 HA GLU 36 HA GLU 36 -13.093 2.042 6.905 287 HB2 GLU 36 HB2 GLU 36 -10.714 1.215 5.268 288 HB3 GLU 36 HB1 GLU 36 -12.288 0.455 5.058 289 HG2 GLU 36 HG2 GLU 36 -11.646 3.376 4.707 290 HG3 GLU 36 HG1 GLU 36 -11.988 2.206 3.433 291 H GLY 37 HN GLY 37 -10.651 0.995 8.829 292 HA2 GLY 37 HA2 GLY 37 -10.553 -0.737 10.333 293 HA3 GLY 37 HA1 GLY 37 -12.144 -1.234 9.780 294 H LEU 38 HN LEU 38 -9.696 -0.938 7.385 295 HA LEU 38 HA LEU 38 -9.874 -3.735 6.776 296 HB2 LEU 38 HB2 LEU 38 -8.217 -1.499 5.614 297 HB3 LEU 38 HB1 LEU 38 -8.154 -3.148 5.020 298 HG LEU 38 HG LEU 38 -10.644 -1.441 5.050 299 HD11 LEU 38 HD11 LEU 38 -9.043 -0.508 3.510 300 HD12 LEU 38 HD12 LEU 38 -10.322 -1.326 2.613 301 HD13 LEU 38 HD13 LEU 38 -8.749 -2.097 2.804 302 HD21 LEU 38 HD21 LEU 38 -11.222 -3.753 5.147 303 HD22 LEU 38 HD22 LEU 38 -10.037 -4.159 3.906 304 HD23 LEU 38 HD23 LEU 38 -11.463 -3.211 3.485 305 H LEU 39 HN LEU 39 -7.540 -1.591 8.252 306 HA LEU 39 HA LEU 39 -6.007 -3.945 9.117 307 HB2 LEU 39 HB2 LEU 39 -4.902 -1.326 8.105 308 HB3 LEU 39 HB1 LEU 39 -3.948 -2.522 8.960 309 HG LEU 39 HG LEU 39 -5.289 -2.908 6.284 310 HD11 LEU 39 HD11 LEU 39 -3.090 -2.920 5.372 311 HD12 LEU 39 HD12 LEU 39 -2.366 -2.817 6.975 312 HD13 LEU 39 HD13 LEU 39 -3.277 -1.452 6.327 313 HD21 LEU 39 HD21 LEU 39 -5.337 -5.038 7.160 314 HD22 LEU 39 HD22 LEU 39 -3.894 -4.785 8.139 315 HD23 LEU 39 HD23 LEU 39 -3.746 -5.011 6.395 316 H MET 40 HN MET 40 -4.562 -3.366 11.015 317 HA MET 40 HA MET 40 -5.963 -1.437 12.757 318 HB2 MET 40 HB2 MET 40 -6.359 -3.792 13.403 319 HB3 MET 40 HB1 MET 40 -4.624 -4.028 13.557 320 HG2 MET 40 HG2 MET 40 -4.643 -2.220 15.296 321 HG3 MET 40 HG1 MET 40 -6.403 -2.295 15.243 322 HE1 MET 40 HE1 MET 40 -3.599 -5.644 16.694 323 HE2 MET 40 HE2 MET 40 -3.109 -4.119 15.957 324 HE3 MET 40 HE3 MET 40 -3.835 -5.386 14.967 325 H SER 41 HN SER 41 -2.906 -3.017 11.991 326 HA SER 41 HA SER 41 -1.474 -0.757 13.238 327 HB2 SER 41 HB2 SER 41 0.196 -3.070 12.777 328 HB3 SER 41 HB1 SER 41 -0.171 -2.255 14.298 329 HG SER 41 HG SER 41 -1.774 -4.237 13.020 330 HA PRO 42 HA PRO 42 0.027 0.278 9.207 331 HB2 PRO 42 HB2 PRO 42 2.528 1.223 9.868 332 HB3 PRO 42 HB1 PRO 42 1.033 2.161 10.035 333 HG2 PRO 42 HG2 PRO 42 2.569 0.677 12.104 334 HG3 PRO 42 HG1 PRO 42 1.745 2.244 12.215 335 HD2 PRO 42 HD2 PRO 42 0.673 -0.006 13.233 336 HD3 PRO 42 HD1 PRO 42 -0.327 1.285 12.534 337 H SER 43 HN SER 43 1.845 -1.768 11.345 338 HA SER 43 HA SER 43 3.679 -2.712 9.352 339 HB2 SER 43 HB2 SER 43 3.797 -4.496 11.430 340 HB3 SER 43 HB1 SER 43 4.721 -2.997 11.332 341 HG SER 43 HG SER 43 3.164 -3.562 13.241 342 H ASP 44 HN ASP 44 0.454 -3.249 9.786 343 HA ASP 44 HA ASP 44 0.286 -6.077 9.523 344 HB2 ASP 44 HB2 ASP 44 -1.656 -3.825 9.156 345 HB3 ASP 44 HB1 ASP 44 -2.082 -5.441 8.602 346 H LEU 45 HN LEU 45 1.439 -3.824 7.426 347 HA LEU 45 HA LEU 45 0.400 -4.638 4.929 348 HB2 LEU 45 HB2 LEU 45 2.562 -2.959 5.936 349 HB3 LEU 45 HB1 LEU 45 3.013 -3.802 4.467 350 HG LEU 45 HG LEU 45 2.154 -1.576 3.980 351 HD11 LEU 45 HD11 LEU 45 1.717 -3.634 2.516 352 HD12 LEU 45 HD12 LEU 45 0.804 -2.163 2.192 353 HD13 LEU 45 HD13 LEU 45 0.050 -3.494 3.067 354 HD21 LEU 45 HD21 LEU 45 0.686 -1.105 5.753 355 HD22 LEU 45 HD22 LEU 45 -0.270 -2.557 5.455 356 HD23 LEU 45 HD23 LEU 45 -0.335 -1.213 4.316 357 H TYR 46 HN TYR 46 2.460 -6.166 7.138 358 HA TYR 46 HA TYR 46 3.932 -7.720 5.194 359 HB2 TYR 46 HB2 TYR 46 3.846 -7.903 8.213 360 HB3 TYR 46 HB1 TYR 46 4.932 -8.817 7.174 361 HD1 TYR 46 HD1 TYR 46 5.487 -6.467 5.228 362 HD2 TYR 46 HD2 TYR 46 5.538 -6.795 9.471 363 HE1 TYR 46 HE1 TYR 46 7.132 -4.648 5.343 364 HE2 TYR 46 HE2 TYR 46 7.179 -4.968 9.595 365 HH TYR 46 HH TYR 46 7.768 -2.854 7.278 366 H SER 47 HN SER 47 0.832 -7.896 6.192 367 HA SER 47 HA SER 47 0.729 -10.805 6.447 368 HB2 SER 47 HB2 SER 47 -1.648 -8.952 6.435 369 HB3 SER 47 HB1 SER 47 -1.498 -10.539 7.187 370 HG SER 47 HG SER 47 -1.357 -8.619 8.603 371 HA PRO 48 HA PRO 48 0.170 -10.723 1.936 372 HB2 PRO 48 HB2 PRO 48 0.371 -13.643 2.189 373 HB3 PRO 48 HB1 PRO 48 1.409 -12.518 1.295 374 HG2 PRO 48 HG2 PRO 48 2.240 -13.778 3.508 375 HG3 PRO 48 HG1 PRO 48 2.786 -12.145 3.075 376 HD2 PRO 48 HD2 PRO 48 0.743 -12.978 5.088 377 HD3 PRO 48 HD1 PRO 48 1.975 -11.705 5.186 378 H GLY 49 HN GLY 49 -1.469 -12.937 4.163 379 HA2 GLY 49 HA2 GLY 49 -3.484 -13.756 2.342 380 HA3 GLY 49 HA1 GLY 49 -3.545 -13.912 4.090 381 H SER 50 HN SER 50 -3.177 -10.975 4.417 382 HA SER 50 HA SER 50 -5.973 -10.309 4.294 383 HB2 SER 50 HB2 SER 50 -3.808 -8.408 5.137 384 HB3 SER 50 HB1 SER 50 -5.467 -8.535 5.727 385 HG SER 50 HG SER 50 -4.519 -9.615 7.274 386 H TRP 51 HN TRP 51 -3.453 -10.007 2.111 387 HA TRP 51 HA TRP 51 -3.945 -7.427 1.054 388 HB2 TRP 51 HB2 TRP 51 -2.735 -9.891 -0.203 389 HB3 TRP 51 HB1 TRP 51 -2.820 -8.333 -1.015 390 HD1 TRP 51 HD1 TRP 51 -2.111 -6.917 2.023 391 HE1 TRP 51 HE1 TRP 51 0.395 -6.791 2.604 392 HE3 TRP 51 HE3 TRP 51 -0.348 -10.401 -1.267 393 HZ2 TRP 51 HZ2 TRP 51 2.796 -8.008 1.771 394 HZ3 TRP 51 HZ3 TRP 51 2.068 -10.866 -1.319 395 HH2 TRP 51 HH2 TRP 51 3.608 -9.691 0.170 396 H ASP 52 HN ASP 52 -5.381 -10.569 0.440 397 HA ASP 52 HA ASP 52 -6.713 -9.908 -1.941 398 HB2 ASP 52 HB2 ASP 52 -6.466 -12.214 -1.390 399 HB3 ASP 52 HB1 ASP 52 -7.327 -12.006 0.132 400 HA PRO 53 HA PRO 53 -10.729 -9.043 0.693 401 HB2 PRO 53 HB2 PRO 53 -10.185 -8.212 3.290 402 HB3 PRO 53 HB1 PRO 53 -10.751 -9.831 2.841 403 HG2 PRO 53 HG2 PRO 53 -8.003 -8.894 3.447 404 HG3 PRO 53 HG1 PRO 53 -8.790 -10.431 3.853 405 HD2 PRO 53 HD2 PRO 53 -7.018 -10.252 1.852 406 HD3 PRO 53 HD1 PRO 53 -8.429 -11.326 1.756 407 H ILE 54 HN ILE 54 -7.707 -7.370 1.393 408 HA ILE 54 HA ILE 54 -8.864 -4.770 1.637 409 HB ILE 54 HB ILE 54 -6.031 -5.708 1.190 410 HG12 ILE 54 HG12 ILE 54 -7.377 -4.351 3.534 411 HG13 ILE 54 HG11 ILE 54 -7.071 -6.081 3.411 412 HG21 ILE 54 HG21 ILE 54 -6.196 -3.575 0.088 413 HG22 ILE 54 HG22 ILE 54 -5.342 -3.362 1.617 414 HG23 ILE 54 HG23 ILE 54 -7.035 -2.883 1.475 415 HD11 ILE 54 HD11 ILE 54 -4.678 -5.668 3.380 416 HD12 ILE 54 HD12 ILE 54 -5.432 -4.962 4.812 417 HD13 ILE 54 HD13 ILE 54 -4.975 -3.931 3.458 418 H THR 55 HN THR 55 -6.985 -6.348 -0.964 419 HA THR 55 HA THR 55 -7.177 -4.278 -2.827 420 HB THR 55 HB THR 55 -7.051 -7.229 -3.490 421 HG1 THR 55 HG1 THR 55 -5.341 -6.903 -2.159 422 HG21 THR 55 HG21 THR 55 -5.919 -6.514 -5.506 423 HG22 THR 55 HG22 THR 55 -5.968 -4.832 -4.977 424 HG23 THR 55 HG23 THR 55 -7.464 -5.671 -5.391 425 H ALA 56 HN ALA 56 -9.377 -6.942 -2.117 426 HA ALA 56 HA ALA 56 -11.126 -6.615 -4.300 427 HB1 ALA 56 HB1 ALA 56 -11.707 -7.666 -1.530 428 HB2 ALA 56 HB2 ALA 56 -11.177 -8.615 -2.919 429 HB3 ALA 56 HB3 ALA 56 -12.762 -7.844 -2.931 430 H ALA 57 HN ALA 57 -11.275 -5.329 -0.983 431 HA ALA 57 HA ALA 57 -13.647 -3.857 -1.293 432 HB1 ALA 57 HB1 ALA 57 -11.320 -3.451 0.581 433 HB2 ALA 57 HB2 ALA 57 -12.802 -4.352 0.900 434 HB3 ALA 57 HB3 ALA 57 -12.859 -2.599 0.706 435 H LEU 58 HN LEU 58 -10.246 -2.945 -1.710 436 HA LEU 58 HA LEU 58 -10.704 -0.220 -2.249 437 HB2 LEU 58 HB2 LEU 58 -8.431 -1.994 -3.125 438 HB3 LEU 58 HB1 LEU 58 -8.438 -0.243 -3.240 439 HG LEU 58 HG LEU 58 -8.566 -1.845 -0.682 440 HD11 LEU 58 HD11 LEU 58 -6.381 -1.953 -1.715 441 HD12 LEU 58 HD12 LEU 58 -6.329 -0.920 -0.287 442 HD13 LEU 58 HD13 LEU 58 -6.358 -0.198 -1.896 443 HD21 LEU 58 HD21 LEU 58 -9.784 0.191 -0.381 444 HD22 LEU 58 HD22 LEU 58 -8.516 1.126 -1.179 445 HD23 LEU 58 HD23 LEU 58 -8.209 0.375 0.387 446 H SER 59 HN SER 59 -10.626 -3.049 -4.364 447 HA SER 59 HA SER 59 -10.785 -1.551 -6.782 448 HB2 SER 59 HB2 SER 59 -11.628 -4.421 -6.287 449 HB3 SER 59 HB1 SER 59 -11.296 -3.686 -7.855 450 HG SER 59 HG SER 59 -9.458 -4.174 -5.737 451 H GLN 60 HN GLN 60 -13.099 -2.923 -4.545 452 HA GLN 60 HA GLN 60 -15.434 -2.595 -6.067 453 HB2 GLN 60 HB2 GLN 60 -15.631 -3.963 -4.179 454 HB3 GLN 60 HB1 GLN 60 -14.851 -2.789 -3.129 455 HG2 GLN 60 HG2 GLN 60 -16.896 -1.328 -3.525 456 HG3 GLN 60 HG1 GLN 60 -17.652 -2.774 -4.191 457 HE21 GLN 60 HE21 GLN 60 -18.201 -1.156 -1.759 458 HE22 GLN 60 HE22 GLN 60 -18.194 -2.295 -0.459 459 H ARG 61 HN ARG 61 -14.102 -0.493 -3.499 460 HA ARG 61 HA ARG 61 -15.972 1.579 -3.837 461 HB2 ARG 61 HB2 ARG 61 -14.290 2.991 -2.633 462 HB3 ARG 61 HB1 ARG 61 -14.708 1.490 -1.817 463 HG2 ARG 61 HG2 ARG 61 -12.661 0.467 -2.502 464 HG3 ARG 61 HG1 ARG 61 -12.260 1.848 -3.526 465 HD2 ARG 61 HD2 ARG 61 -12.730 2.253 -0.607 466 HD3 ARG 61 HD1 ARG 61 -11.191 1.598 -1.158 467 HE ARG 61 HE ARG 61 -10.987 3.654 -2.533 468 HH11 ARG 61 HH11 ARG 61 -13.081 3.636 0.266 469 HH12 ARG 61 HH12 ARG 61 -12.967 5.344 0.525 470 HH21 ARG 61 HH21 ARG 61 -10.781 5.911 -2.175 471 HH22 ARG 61 HH22 ARG 61 -11.664 6.642 -0.867 472 H ALA 62 HN ALA 62 -12.981 0.871 -5.498 473 HA ALA 62 HA ALA 62 -12.613 3.401 -6.700 474 HB1 ALA 62 HB1 ALA 62 -11.763 0.737 -7.807 475 HB2 ALA 62 HB2 ALA 62 -10.893 1.610 -6.545 476 HB3 ALA 62 HB3 ALA 62 -11.058 2.318 -8.152 477 H MET 63 HN MET 63 -14.508 0.581 -7.624 478 HA MET 63 HA MET 63 -15.214 1.818 -10.166 479 HB2 MET 63 HB2 MET 63 -16.184 -0.251 -10.789 480 HB3 MET 63 HB1 MET 63 -14.685 -0.636 -9.958 481 HG2 MET 63 HG2 MET 63 -15.928 -1.172 -7.936 482 HG3 MET 63 HG1 MET 63 -17.438 -0.762 -8.750 483 HE1 MET 63 HE1 MET 63 -14.281 -2.713 -10.163 484 HE2 MET 63 HE2 MET 63 -14.763 -4.370 -9.809 485 HE3 MET 63 HE3 MET 63 -14.448 -3.243 -8.491 486 H ILE 64 HN ILE 64 -16.576 1.394 -6.994 487 HA ILE 64 HA ILE 64 -19.261 1.997 -7.926 488 HB ILE 64 HB ILE 64 -18.192 1.521 -5.146 489 HG12 ILE 64 HG12 ILE 64 -19.912 -0.143 -6.997 490 HG13 ILE 64 HG11 ILE 64 -18.239 -0.465 -6.560 491 HG21 ILE 64 HG21 ILE 64 -20.533 1.485 -4.417 492 HG22 ILE 64 HG22 ILE 64 -21.046 1.951 -6.038 493 HG23 ILE 64 HG23 ILE 64 -20.089 3.066 -5.062 494 HD11 ILE 64 HD11 ILE 64 -20.604 -0.518 -4.709 495 HD12 ILE 64 HD12 ILE 64 -18.929 -0.800 -4.235 496 HD13 ILE 64 HD13 ILE 64 -19.734 -1.915 -5.343 497 H LEU 65 HN LEU 65 -16.813 3.537 -5.837 498 HA LEU 65 HA LEU 65 -18.386 5.931 -5.581 499 HB2 LEU 65 HB2 LEU 65 -15.687 5.062 -4.660 500 HB3 LEU 65 HB1 LEU 65 -16.034 6.779 -4.708 501 HG LEU 65 HG LEU 65 -18.006 6.364 -3.230 502 HD11 LEU 65 HD11 LEU 65 -16.823 3.598 -3.034 503 HD12 LEU 65 HD12 LEU 65 -18.385 4.019 -3.737 504 HD13 LEU 65 HD13 LEU 65 -18.109 4.239 -2.010 505 HD21 LEU 65 HD21 LEU 65 -15.285 5.555 -2.226 506 HD22 LEU 65 HD22 LEU 65 -16.652 5.963 -1.189 507 HD23 LEU 65 HD23 LEU 65 -15.968 7.181 -2.267 508 H GLY 66 HN GLY 66 -15.759 4.810 -7.594 509 HA2 GLY 66 HA2 GLY 66 -15.452 5.638 -9.797 510 HA3 GLY 66 HA1 GLY 66 -16.181 7.156 -9.301 511 H LYS 67 HN LYS 67 -13.962 6.081 -7.005 512 HA LYS 67 HA LYS 67 -11.833 7.687 -8.240 513 HB2 LYS 67 HB2 LYS 67 -11.216 8.424 -5.916 514 HB3 LYS 67 HB1 LYS 67 -12.729 9.072 -6.526 515 HG2 LYS 67 HG2 LYS 67 -14.000 7.588 -5.163 516 HG3 LYS 67 HG1 LYS 67 -12.552 6.693 -4.697 517 HD2 LYS 67 HD2 LYS 67 -12.891 8.051 -2.856 518 HD3 LYS 67 HD1 LYS 67 -11.738 8.990 -3.797 519 HE2 LYS 67 HE2 LYS 67 -14.717 9.403 -3.947 520 HE3 LYS 67 HE1 LYS 67 -13.675 10.280 -2.831 521 HZ1 LYS 67 HZ1 LYS 67 -12.372 10.829 -4.999 522 HZ2 LYS 67 HZ2 LYS 67 -13.761 11.707 -4.601 523 HZ3 LYS 67 HZ3 LYS 67 -13.844 10.475 -5.754 524 H SER 68 HN SER 68 -9.986 6.679 -8.467 525 HA SER 68 HA SER 68 -9.497 4.250 -6.863 526 HB2 SER 68 HB2 SER 68 -8.315 4.806 -9.586 527 HB3 SER 68 HB1 SER 68 -8.399 3.266 -8.728 528 HG SER 68 HG SER 68 -10.815 4.530 -9.242 529 H GLY 69 HN GLY 69 -8.753 7.181 -6.467 530 HA2 GLY 69 HA2 GLY 69 -6.027 7.602 -6.903 531 HA3 GLY 69 HA1 GLY 69 -6.967 8.346 -5.620 532 H GLU 70 HN GLU 70 -7.647 6.182 -4.086 533 HA GLU 70 HA GLU 70 -5.179 5.698 -2.717 534 HB2 GLU 70 HB2 GLU 70 -7.925 4.549 -2.169 535 HB3 GLU 70 HB1 GLU 70 -6.561 4.550 -1.062 536 HG2 GLU 70 HG2 GLU 70 -7.840 6.299 -0.283 537 HG3 GLU 70 HG1 GLU 70 -6.659 7.120 -1.298 538 H LEU 71 HN LEU 71 -6.886 4.094 -5.168 539 HA LEU 71 HA LEU 71 -5.966 1.432 -4.533 540 HB2 LEU 71 HB2 LEU 71 -7.988 2.457 -6.130 541 HB3 LEU 71 HB1 LEU 71 -6.814 1.866 -7.286 542 HG LEU 71 HG LEU 71 -8.453 0.341 -5.312 543 HD11 LEU 71 HD11 LEU 71 -8.772 -1.129 -7.245 544 HD12 LEU 71 HD12 LEU 71 -7.709 -0.095 -8.197 545 HD13 LEU 71 HD13 LEU 71 -9.243 0.534 -7.595 546 HD21 LEU 71 HD21 LEU 71 -6.935 -1.648 -5.941 547 HD22 LEU 71 HD22 LEU 71 -6.408 -0.553 -4.663 548 HD23 LEU 71 HD23 LEU 71 -5.720 -0.415 -6.282 549 H LYS 72 HN LYS 72 -5.057 4.059 -6.713 550 HA LYS 72 HA LYS 72 -3.174 2.670 -8.261 551 HB2 LYS 72 HB2 LYS 72 -3.193 5.587 -7.458 552 HB3 LYS 72 HB1 LYS 72 -2.179 4.904 -8.718 553 HG2 LYS 72 HG2 LYS 72 -4.523 4.084 -9.643 554 HG3 LYS 72 HG1 LYS 72 -5.089 5.470 -8.717 555 HD2 LYS 72 HD2 LYS 72 -2.937 5.544 -10.832 556 HD3 LYS 72 HD1 LYS 72 -4.614 6.037 -11.066 557 HE2 LYS 72 HE2 LYS 72 -4.321 7.751 -9.314 558 HE3 LYS 72 HE1 LYS 72 -2.628 7.281 -9.168 559 HZ1 LYS 72 HZ1 LYS 72 -3.938 8.437 -11.570 560 HZ2 LYS 72 HZ2 LYS 72 -2.342 7.882 -11.525 561 HZ3 LYS 72 HZ3 LYS 72 -2.804 9.198 -10.571 562 H THR 73 HN THR 73 -2.878 4.316 -5.157 563 HA THR 73 HA THR 73 -0.079 4.023 -4.901 564 HB THR 73 HB THR 73 -1.954 4.100 -2.551 565 HG1 THR 73 HG1 THR 73 -1.366 6.181 -4.405 566 HG21 THR 73 HG21 THR 73 -0.193 5.591 -1.652 567 HG22 THR 73 HG22 THR 73 0.729 5.359 -3.137 568 HG23 THR 73 HG23 THR 73 0.425 3.991 -2.063 569 H TRP 74 HN TRP 74 -2.825 2.094 -3.772 570 HA TRP 74 HA TRP 74 -1.373 0.186 -2.333 571 HB2 TRP 74 HB2 TRP 74 -3.751 0.357 -2.017 572 HB3 TRP 74 HB1 TRP 74 -4.056 0.006 -3.714 573 HD1 TRP 74 HD1 TRP 74 -4.706 -2.425 -4.195 574 HE1 TRP 74 HE1 TRP 74 -4.431 -4.688 -2.987 575 HE3 TRP 74 HE3 TRP 74 -1.887 -0.886 -0.216 576 HZ2 TRP 74 HZ2 TRP 74 -3.179 -5.679 -0.667 577 HZ3 TRP 74 HZ3 TRP 74 -1.195 -2.552 1.449 578 HH2 TRP 74 HH2 TRP 74 -1.825 -4.900 1.225 579 H GLY 75 HN GLY 75 -2.448 0.214 -5.715 580 HA2 GLY 75 HA2 GLY 75 -1.657 -2.347 -6.457 581 HA3 GLY 75 HA1 GLY 75 -1.726 -0.966 -7.542 582 H LEU 76 HN LEU 76 0.246 0.624 -6.353 583 HA LEU 76 HA LEU 76 2.566 -0.507 -7.522 584 HB2 LEU 76 HB2 LEU 76 2.084 1.942 -5.848 585 HB3 LEU 76 HB1 LEU 76 3.693 1.500 -6.387 586 HG LEU 76 HG LEU 76 1.427 1.870 -8.329 587 HD11 LEU 76 HD11 LEU 76 3.400 3.962 -7.433 588 HD12 LEU 76 HD12 LEU 76 1.683 3.939 -7.023 589 HD13 LEU 76 HD13 LEU 76 2.187 4.138 -8.699 590 HD21 LEU 76 HD21 LEU 76 3.328 0.669 -9.188 591 HD22 LEU 76 HD22 LEU 76 4.430 1.901 -8.574 592 HD23 LEU 76 HD23 LEU 76 3.312 2.291 -9.879 593 H VAL 77 HN VAL 77 1.588 0.034 -4.160 594 HA VAL 77 HA VAL 77 3.972 -0.968 -3.011 595 HB VAL 77 HB VAL 77 1.202 -0.809 -1.810 596 HG11 VAL 77 HG11 VAL 77 3.887 -1.187 -0.493 597 HG12 VAL 77 HG12 VAL 77 2.550 -2.335 -0.530 598 HG13 VAL 77 HG13 VAL 77 2.388 -0.824 0.362 599 HG21 VAL 77 HG21 VAL 77 2.107 1.256 -0.730 600 HG22 VAL 77 HG22 VAL 77 1.905 1.373 -2.478 601 HG23 VAL 77 HG23 VAL 77 3.511 1.130 -1.791 602 H LEU 78 HN LEU 78 0.853 -2.459 -3.777 603 HA LEU 78 HA LEU 78 1.296 -4.972 -2.638 604 HB2 LEU 78 HB2 LEU 78 -0.895 -4.217 -3.423 605 HB3 LEU 78 HB1 LEU 78 -0.322 -4.227 -5.079 606 HG LEU 78 HG LEU 78 0.005 -6.702 -4.876 607 HD11 LEU 78 HD11 LEU 78 -1.442 -6.282 -2.263 608 HD12 LEU 78 HD12 LEU 78 0.191 -6.911 -2.480 609 HD13 LEU 78 HD13 LEU 78 -1.195 -7.844 -3.042 610 HD21 LEU 78 HD21 LEU 78 -2.393 -7.230 -5.057 611 HD22 LEU 78 HD22 LEU 78 -1.949 -5.794 -5.979 612 HD23 LEU 78 HD23 LEU 78 -2.780 -5.626 -4.431 613 H GLY 79 HN GLY 79 2.109 -3.713 -5.843 614 HA2 GLY 79 HA2 GLY 79 3.025 -6.126 -6.959 615 HA3 GLY 79 HA1 GLY 79 3.511 -4.516 -7.474 616 H ALA 80 HN ALA 80 4.733 -3.598 -5.172 617 HA ALA 80 HA ALA 80 7.311 -4.741 -5.410 618 HB1 ALA 80 HB1 ALA 80 6.273 -2.922 -3.242 619 HB2 ALA 80 HB2 ALA 80 6.905 -2.390 -4.800 620 HB3 ALA 80 HB3 ALA 80 7.964 -3.211 -3.653 621 H LEU 81 HN LEU 81 4.700 -5.131 -3.099 622 HA LEU 81 HA LEU 81 6.181 -6.668 -1.215 623 HB2 LEU 81 HB2 LEU 81 3.230 -6.344 -1.712 624 HB3 LEU 81 HB1 LEU 81 3.872 -7.341 -0.422 625 HG LEU 81 HG LEU 81 4.546 -4.421 -0.668 626 HD11 LEU 81 HD11 LEU 81 2.316 -5.657 0.932 627 HD12 LEU 81 HD12 LEU 81 2.114 -4.678 -0.522 628 HD13 LEU 81 HD13 LEU 81 2.796 -3.960 0.937 629 HD21 LEU 81 HD21 LEU 81 6.029 -5.755 0.740 630 HD22 LEU 81 HD22 LEU 81 4.641 -6.364 1.641 631 HD23 LEU 81 HD23 LEU 81 5.056 -4.654 1.715 632 H LYS 82 HN LYS 82 3.990 -7.512 -3.873 633 HA LYS 82 HA LYS 82 3.973 -10.283 -3.467 634 HB2 LYS 82 HB2 LYS 82 3.519 -8.547 -5.873 635 HB3 LYS 82 HB1 LYS 82 3.537 -10.298 -6.036 636 HG2 LYS 82 HG2 LYS 82 1.751 -10.400 -4.297 637 HG3 LYS 82 HG1 LYS 82 1.670 -8.639 -4.357 638 HD2 LYS 82 HD2 LYS 82 0.919 -8.652 -6.602 639 HD3 LYS 82 HD1 LYS 82 1.338 -10.355 -6.807 640 HE2 LYS 82 HE2 LYS 82 -0.382 -10.804 -4.965 641 HE3 LYS 82 HE1 LYS 82 -0.925 -9.150 -5.249 642 HZ1 LYS 82 HZ1 LYS 82 -1.269 -9.758 -7.593 643 HZ2 LYS 82 HZ2 LYS 82 -2.236 -10.663 -6.545 644 HZ3 LYS 82 HZ3 LYS 82 -0.857 -11.357 -7.236 645 H ALA 83 HN ALA 83 6.056 -8.285 -5.540 646 HA ALA 83 HA ALA 83 7.595 -10.417 -6.566 647 HB1 ALA 83 HB1 ALA 83 8.386 -7.522 -6.271 648 HB2 ALA 83 HB2 ALA 83 7.463 -8.192 -7.615 649 HB3 ALA 83 HB3 ALA 83 9.128 -8.711 -7.343 650 H ALA 84 HN ALA 84 7.803 -8.575 -3.622 651 HA ALA 84 HA ALA 84 10.481 -9.294 -2.967 652 HB1 ALA 84 HB1 ALA 84 8.234 -8.285 -1.233 653 HB2 ALA 84 HB2 ALA 84 9.498 -7.325 -1.997 654 HB3 ALA 84 HB3 ALA 84 9.907 -8.461 -0.713 655 H ARG 85 HN ARG 85 7.318 -10.693 -2.377 656 HA ARG 85 HA ARG 85 8.439 -12.704 -0.595 657 HB2 ARG 85 HB2 ARG 85 5.625 -12.157 -1.532 658 HB3 ARG 85 HB1 ARG 85 6.051 -13.510 -0.494 659 HG2 ARG 85 HG2 ARG 85 7.138 -11.611 0.969 660 HG3 ARG 85 HG1 ARG 85 5.978 -10.600 0.109 661 HD2 ARG 85 HD2 ARG 85 4.141 -11.844 0.935 662 HD3 ARG 85 HD1 ARG 85 5.184 -13.142 1.511 663 HE ARG 85 HE ARG 85 4.753 -10.547 2.778 664 HH11 ARG 85 HH11 ARG 85 6.879 -13.524 4.434 665 HH12 ARG 85 HH12 ARG 85 6.397 -13.640 2.774 666 HH21 ARG 85 HH21 ARG 85 6.320 -11.680 5.676 667 HH22 ARG 85 HH22 ARG 85 5.402 -10.393 4.959 668 H GLU 86 HN GLU 86 8.447 -12.329 -3.804 669 HA GLU 86 HA GLU 86 7.671 -14.994 -4.608 670 HB2 GLU 86 HB2 GLU 86 8.830 -12.614 -6.026 671 HB3 GLU 86 HB1 GLU 86 8.875 -14.191 -6.796 672 HG2 GLU 86 HG2 GLU 86 6.411 -14.327 -6.529 673 HG3 GLU 86 HG1 GLU 86 6.427 -12.677 -5.913 674 H GLU 87 HN GLU 87 10.359 -13.580 -3.189 675 HA GLU 87 HA GLU 87 12.013 -15.907 -3.864 676 HB2 GLU 87 HB2 GLU 87 12.991 -13.045 -3.717 677 HB3 GLU 87 HB1 GLU 87 14.019 -14.458 -3.893 678 HG2 GLU 87 HG2 GLU 87 12.926 -14.964 -6.039 679 HG3 GLU 87 HG1 GLU 87 11.964 -13.497 -5.867 680 H1 FGV 101 H1 IP3 1 13.436 10.122 -1.229 681 H2 FGV 101 H2 IP3 1 14.210 8.688 0.611 682 H3 FGV 101 H3 IP3 1 13.269 10.879 1.184 683 H4 FGV 101 H4 IP3 1 10.591 9.418 1.487 684 H5 FGV 101 H5 IP3 1 11.474 11.589 -0.487 685 H6 FGV 101 H6 IP3 1 10.756 8.646 -0.981 686 H11 FGV 101 H11 IP3 1 16.252 7.115 -3.600 687 H12 FGV 101 H12 IP3 1 11.821 7.405 0.090 688 H14 FGV 101 H14 IP3 1 11.653 11.801 2.365 689 H16 FGV 101 H16 IP3 1 11.508 10.864 -2.614 Start of MODEL 11 1 H1 SER 1 HT1 SER 1 3.276 4.326 10.577 2 H2 SER 1 HT2 SER 1 2.050 5.065 9.675 3 H3 SER 1 HT3 SER 1 1.704 4.399 11.188 4 HA SER 1 HA SER 1 1.821 6.793 11.285 5 HB2 SER 1 HB2 SER 1 4.249 5.995 12.768 6 HB3 SER 1 HB1 SER 1 2.744 6.696 13.360 7 HG SER 1 HG SER 1 3.094 4.504 14.045 8 H GLU 2 HN GLU 2 5.224 5.634 11.023 9 HA GLU 2 HA GLU 2 5.724 7.468 8.863 10 HB2 GLU 2 HB2 GLU 2 7.498 8.736 10.064 11 HB3 GLU 2 HB1 GLU 2 5.873 9.060 10.641 12 HG2 GLU 2 HG2 GLU 2 6.694 7.027 12.283 13 HG3 GLU 2 HG1 GLU 2 8.174 7.949 12.032 14 H ALA 3 HN ALA 3 7.224 5.390 11.329 15 HA ALA 3 HA ALA 3 9.657 4.974 10.041 16 HB1 ALA 3 HB1 ALA 3 9.958 3.097 11.500 17 HB2 ALA 3 HB2 ALA 3 8.227 3.009 11.813 18 HB3 ALA 3 HB3 ALA 3 9.157 4.390 12.391 19 H VAL 4 HN VAL 4 6.733 2.914 9.910 20 HA VAL 4 HA VAL 4 7.821 1.005 8.154 21 HB VAL 4 HB VAL 4 4.917 1.759 8.523 22 HG11 VAL 4 HG11 VAL 4 6.166 -0.720 7.350 23 HG12 VAL 4 HG12 VAL 4 5.224 0.490 6.483 24 HG13 VAL 4 HG13 VAL 4 4.454 -0.518 7.708 25 HG21 VAL 4 HG21 VAL 4 6.062 1.093 10.604 26 HG22 VAL 4 HG22 VAL 4 6.526 -0.426 9.838 27 HG23 VAL 4 HG23 VAL 4 4.824 -0.061 10.114 28 H ILE 5 HN ILE 5 6.309 4.100 7.569 29 HA ILE 5 HA ILE 5 5.659 3.855 4.869 30 HB ILE 5 HB ILE 5 6.589 6.293 6.394 31 HG12 ILE 5 HG12 ILE 5 3.835 5.284 5.641 32 HG13 ILE 5 HG11 ILE 5 4.529 5.315 7.258 33 HG21 ILE 5 HG21 ILE 5 5.281 6.149 3.678 34 HG22 ILE 5 HG22 ILE 5 6.947 6.626 4.010 35 HG23 ILE 5 HG23 ILE 5 5.613 7.625 4.586 36 HD11 ILE 5 HD11 ILE 5 2.945 7.129 6.950 37 HD12 ILE 5 HD12 ILE 5 3.875 7.719 5.574 38 HD13 ILE 5 HD13 ILE 5 4.576 7.758 7.191 39 H LYS 6 HN LYS 6 8.716 4.773 6.413 40 HA LYS 6 HA LYS 6 10.063 5.287 3.963 41 HB2 LYS 6 HB2 LYS 6 10.981 4.873 6.789 42 HB3 LYS 6 HB1 LYS 6 12.146 4.966 5.478 43 HG2 LYS 6 HG2 LYS 6 10.136 7.092 6.188 44 HG3 LYS 6 HG1 LYS 6 11.852 7.118 6.588 45 HD2 LYS 6 HD2 LYS 6 10.656 7.149 3.815 46 HD3 LYS 6 HD1 LYS 6 11.422 8.503 4.643 47 HE2 LYS 6 HE2 LYS 6 13.470 6.911 4.795 48 HE3 LYS 6 HE1 LYS 6 12.662 6.033 3.499 49 HZ1 LYS 6 HZ1 LYS 6 13.610 8.837 3.464 50 HZ2 LYS 6 HZ2 LYS 6 12.592 8.201 2.271 51 HZ3 LYS 6 HZ3 LYS 6 14.140 7.557 2.500 52 H VAL 7 HN VAL 7 9.707 2.435 6.001 53 HA VAL 7 HA VAL 7 11.639 0.812 4.768 54 HB VAL 7 HB VAL 7 9.019 -0.135 5.943 55 HG11 VAL 7 HG11 VAL 7 10.252 -2.194 6.406 56 HG12 VAL 7 HG12 VAL 7 11.691 -1.511 5.648 57 HG13 VAL 7 HG13 VAL 7 10.251 -1.829 4.680 58 HG21 VAL 7 HG21 VAL 7 10.217 1.351 7.505 59 HG22 VAL 7 HG22 VAL 7 11.648 0.333 7.348 60 HG23 VAL 7 HG23 VAL 7 10.180 -0.320 8.073 61 H ILE 8 HN ILE 8 8.176 1.201 4.127 62 HA ILE 8 HA ILE 8 8.037 -0.586 1.952 63 HB ILE 8 HB ILE 8 6.297 1.824 2.508 64 HG12 ILE 8 HG12 ILE 8 6.358 0.262 4.403 65 HG13 ILE 8 HG11 ILE 8 4.783 0.247 3.622 66 HG21 ILE 8 HG21 ILE 8 6.098 0.973 0.211 67 HG22 ILE 8 HG22 ILE 8 4.619 0.740 1.142 68 HG23 ILE 8 HG23 ILE 8 5.700 -0.623 0.854 69 HD11 ILE 8 HD11 ILE 8 5.396 -1.829 2.470 70 HD12 ILE 8 HD12 ILE 8 5.463 -1.989 4.226 71 HD13 ILE 8 HD13 ILE 8 6.951 -1.812 3.302 72 H SER 9 HN SER 9 8.804 2.821 2.214 73 HA SER 9 HA SER 9 8.742 3.484 -0.512 74 HB2 SER 9 HB2 SER 9 8.850 5.085 1.454 75 HB3 SER 9 HB1 SER 9 10.570 4.717 1.559 76 HG SER 9 HG SER 9 10.932 5.932 -0.122 77 H SER 10 HN SER 10 11.476 2.541 1.572 78 HA SER 10 HA SER 10 13.469 2.583 -0.360 79 HB2 SER 10 HB2 SER 10 13.273 0.643 1.951 80 HB3 SER 10 HB1 SER 10 14.745 1.184 1.151 81 HG SER 10 HG SER 10 14.655 3.042 2.193 82 H ALA 11 HN ALA 11 11.183 0.012 0.463 83 HA ALA 11 HA ALA 11 12.352 -2.015 -1.103 84 HB1 ALA 11 HB1 ALA 11 9.468 -1.733 -0.292 85 HB2 ALA 11 HB2 ALA 11 10.743 -2.430 0.703 86 HB3 ALA 11 HB3 ALA 11 10.273 -3.216 -0.805 87 H CYS 12 HN CYS 12 9.624 0.182 -1.841 88 HA CYS 12 HA CYS 12 9.259 -0.899 -4.445 89 HB2 CYS 12 HB2 CYS 12 7.856 1.169 -4.830 90 HB3 CYS 12 HB1 CYS 12 7.363 0.153 -3.481 91 HG CYS 12 HG CYS 12 8.388 1.819 -1.516 92 H LYS 13 HN LYS 13 11.485 1.403 -3.168 93 HA LYS 13 HA LYS 13 11.999 2.818 -5.589 94 HB2 LYS 13 HB2 LYS 13 13.643 2.420 -3.090 95 HB3 LYS 13 HB1 LYS 13 14.178 3.414 -4.436 96 HG2 LYS 13 HG2 LYS 13 11.607 3.874 -2.951 97 HG3 LYS 13 HG1 LYS 13 13.133 4.647 -2.531 98 HD2 LYS 13 HD2 LYS 13 13.244 5.692 -4.710 99 HD3 LYS 13 HD1 LYS 13 11.775 4.852 -5.215 100 HE2 LYS 13 HE2 LYS 13 10.494 6.013 -3.524 101 HE3 LYS 13 HE1 LYS 13 11.949 6.808 -2.930 102 HZ1 LYS 13 HZ1 LYS 13 10.876 8.352 -4.309 103 HZ2 LYS 13 HZ2 LYS 13 10.589 7.211 -5.521 104 HZ3 LYS 13 HZ3 LYS 13 12.161 7.756 -5.234 105 H THR 14 HN THR 14 13.029 -0.224 -4.280 106 HA THR 14 HA THR 14 15.209 -0.510 -6.166 107 HB THR 14 HB THR 14 14.177 -2.820 -4.583 108 HG1 THR 14 HG1 THR 14 15.365 -0.469 -3.522 109 HG21 THR 14 HG21 THR 14 16.928 -1.779 -5.269 110 HG22 THR 14 HG22 THR 14 16.108 -3.162 -5.996 111 HG23 THR 14 HG23 THR 14 16.614 -3.222 -4.308 112 H TYR 15 HN TYR 15 12.030 -2.011 -5.588 113 HA TYR 15 HA TYR 15 12.243 -3.706 -7.888 114 HB2 TYR 15 HB2 TYR 15 9.873 -3.050 -6.132 115 HB3 TYR 15 HB1 TYR 15 9.887 -4.292 -7.381 116 HD1 TYR 15 HD1 TYR 15 10.069 -3.892 -3.989 117 HD2 TYR 15 HD2 TYR 15 12.164 -5.825 -7.145 118 HE1 TYR 15 HE1 TYR 15 10.998 -5.504 -2.380 119 HE2 TYR 15 HE2 TYR 15 13.099 -7.436 -5.548 120 HH TYR 15 HH TYR 15 13.446 -7.848 -3.338 121 H CYS 16 HN CYS 16 10.052 -0.969 -7.167 122 HA CYS 16 HA CYS 16 9.212 -0.835 -9.915 123 HB2 CYS 16 HB2 CYS 16 8.730 1.247 -7.780 124 HB3 CYS 16 HB1 CYS 16 7.771 0.935 -9.226 125 HG CYS 16 HG CYS 16 6.583 -1.340 -8.355 126 H GLY 17 HN GLY 17 11.134 1.245 -7.759 127 HA2 GLY 17 HA2 GLY 17 13.138 2.313 -8.492 128 HA3 GLY 17 HA1 GLY 17 12.536 2.249 -10.141 129 H LYS 18 HN LYS 18 11.947 4.159 -10.935 130 HA LYS 18 HA LYS 18 11.482 6.385 -9.148 131 HB2 LYS 18 HB2 LYS 18 11.592 7.776 -11.069 132 HB3 LYS 18 HB1 LYS 18 12.813 6.532 -11.293 133 HG2 LYS 18 HG2 LYS 18 10.330 5.677 -12.446 134 HG3 LYS 18 HG1 LYS 18 10.767 7.275 -13.056 135 HD2 LYS 18 HD2 LYS 18 12.631 4.911 -13.013 136 HD3 LYS 18 HD1 LYS 18 11.652 5.369 -14.403 137 HE2 LYS 18 HE2 LYS 18 12.765 7.634 -14.275 138 HE3 LYS 18 HE1 LYS 18 13.874 6.928 -13.105 139 HZ1 LYS 18 HZ1 LYS 18 14.563 5.324 -14.768 140 HZ2 LYS 18 HZ2 LYS 18 14.790 6.900 -15.341 141 HZ3 LYS 18 HZ3 LYS 18 13.482 5.983 -15.890 142 H THR 19 HN THR 19 9.602 4.041 -10.676 143 HA THR 19 HA THR 19 7.200 5.640 -10.903 144 HB THR 19 HB THR 19 6.431 3.017 -11.214 145 HG1 THR 19 HG1 THR 19 8.209 2.212 -12.604 146 HG21 THR 19 HG21 THR 19 5.923 4.870 -12.734 147 HG22 THR 19 HG22 THR 19 6.543 3.478 -13.623 148 HG23 THR 19 HG23 THR 19 7.591 4.863 -13.309 149 H SER 20 HN SER 20 8.610 5.014 -8.286 150 HA SER 20 HA SER 20 6.791 3.342 -6.818 151 HB2 SER 20 HB2 SER 20 8.240 4.354 -4.875 152 HB3 SER 20 HB1 SER 20 8.964 3.202 -5.999 153 HG SER 20 HG SER 20 10.219 4.719 -6.767 154 HA PRO 21 HA PRO 21 4.025 6.512 -5.444 155 HB2 PRO 21 HB2 PRO 21 3.303 5.578 -3.001 156 HB3 PRO 21 HB1 PRO 21 2.762 4.808 -4.505 157 HG2 PRO 21 HG2 PRO 21 4.932 3.990 -2.644 158 HG3 PRO 21 HG1 PRO 21 3.748 2.993 -3.512 159 HD2 PRO 21 HD2 PRO 21 6.330 3.314 -4.336 160 HD3 PRO 21 HD1 PRO 21 4.984 2.961 -5.436 161 H SER 22 HN SER 22 4.016 8.390 -4.219 162 HA SER 22 HA SER 22 6.523 9.059 -2.969 163 HB2 SER 22 HB2 SER 22 5.387 11.283 -2.583 164 HB3 SER 22 HB1 SER 22 5.476 10.781 -4.268 165 HG SER 22 HG SER 22 3.300 10.020 -4.054 166 H LYS 23 HN LYS 23 6.615 10.104 -0.813 167 HA LYS 23 HA LYS 23 5.698 8.407 1.213 168 HB2 LYS 23 HB2 LYS 23 7.656 9.993 1.322 169 HB3 LYS 23 HB1 LYS 23 6.504 11.300 1.549 170 HG2 LYS 23 HG2 LYS 23 5.706 10.197 3.602 171 HG3 LYS 23 HG1 LYS 23 6.943 8.956 3.384 172 HD2 LYS 23 HD2 LYS 23 8.680 10.699 3.507 173 HD3 LYS 23 HD1 LYS 23 7.429 11.914 3.770 174 HE2 LYS 23 HE2 LYS 23 6.732 10.653 5.799 175 HE3 LYS 23 HE1 LYS 23 8.118 9.591 5.562 176 HZ1 LYS 23 HZ1 LYS 23 8.387 12.526 5.850 177 HZ2 LYS 23 HZ2 LYS 23 9.601 11.354 5.958 178 HZ3 LYS 23 HZ3 LYS 23 8.429 11.473 7.169 179 H LYS 24 HN LYS 24 4.340 11.323 -0.146 180 HA LYS 24 HA LYS 24 2.374 11.815 1.812 181 HB2 LYS 24 HB2 LYS 24 2.609 12.545 -1.101 182 HB3 LYS 24 HB1 LYS 24 1.209 13.012 -0.145 183 HG2 LYS 24 HG2 LYS 24 2.638 14.262 1.374 184 HG3 LYS 24 HG1 LYS 24 4.066 13.750 0.471 185 HD2 LYS 24 HD2 LYS 24 1.839 15.173 -0.934 186 HD3 LYS 24 HD1 LYS 24 3.005 16.091 0.019 187 HE2 LYS 24 HE2 LYS 24 3.774 14.153 -2.155 188 HE3 LYS 24 HE1 LYS 24 3.545 15.879 -2.425 189 HZ1 LYS 24 HZ1 LYS 24 5.416 16.404 -1.220 190 HZ2 LYS 24 HZ2 LYS 24 5.894 14.941 -1.925 191 HZ3 LYS 24 HZ3 LYS 24 5.382 14.976 -0.316 192 H GLU 25 HN GLU 25 2.371 9.856 -1.122 193 HA GLU 25 HA GLU 25 -0.394 9.188 -0.993 194 HB2 GLU 25 HB2 GLU 25 1.899 7.858 -2.440 195 HB3 GLU 25 HB1 GLU 25 0.201 7.459 -2.673 196 HG2 GLU 25 HG2 GLU 25 -0.256 9.615 -3.577 197 HG3 GLU 25 HG1 GLU 25 1.352 10.195 -3.144 198 H ILE 26 HN ILE 26 2.587 7.509 -0.036 199 HA ILE 26 HA ILE 26 1.479 5.085 0.754 200 HB ILE 26 HB ILE 26 3.839 6.513 1.991 201 HG12 ILE 26 HG12 ILE 26 3.796 4.372 -0.147 202 HG13 ILE 26 HG11 ILE 26 3.951 6.093 -0.486 203 HG21 ILE 26 HG21 ILE 26 2.921 4.688 3.394 204 HG22 ILE 26 HG22 ILE 26 4.549 4.359 2.803 205 HG23 ILE 26 HG23 ILE 26 3.163 3.577 2.048 206 HD11 ILE 26 HD11 ILE 26 6.039 6.160 0.763 207 HD12 ILE 26 HD12 ILE 26 6.107 4.967 -0.533 208 HD13 ILE 26 HD13 ILE 26 5.876 4.444 1.136 209 H GLY 27 HN GLY 27 1.998 8.032 2.665 210 HA2 GLY 27 HA2 GLY 27 0.942 7.014 5.081 211 HA3 GLY 27 HA1 GLY 27 1.124 8.713 4.674 212 H ALA 28 HN ALA 28 -0.551 8.910 2.472 213 HA ALA 28 HA ALA 28 -3.052 9.299 3.650 214 HB1 ALA 28 HB1 ALA 28 -2.209 10.432 1.598 215 HB2 ALA 28 HB2 ALA 28 -3.860 9.826 1.459 216 HB3 ALA 28 HB3 ALA 28 -2.528 8.946 0.706 217 H MET 29 HN MET 29 -1.838 6.643 1.675 218 HA MET 29 HA MET 29 -4.283 5.238 1.459 219 HB2 MET 29 HB2 MET 29 -2.244 4.909 0.038 220 HB3 MET 29 HB1 MET 29 -1.488 4.093 1.398 221 HG2 MET 29 HG2 MET 29 -3.512 2.531 1.334 222 HG3 MET 29 HG1 MET 29 -3.818 3.211 -0.263 223 HE1 MET 29 HE1 MET 29 -0.821 0.045 0.885 224 HE2 MET 29 HE2 MET 29 -2.538 0.162 1.269 225 HE3 MET 29 HE3 MET 29 -1.389 1.276 2.016 226 H LEU 30 HN LEU 30 -1.659 5.166 3.799 227 HA LEU 30 HA LEU 30 -2.504 2.887 5.228 228 HB2 LEU 30 HB2 LEU 30 -0.553 5.040 5.577 229 HB3 LEU 30 HB1 LEU 30 -1.198 4.425 7.085 230 HG LEU 30 HG LEU 30 -0.396 2.213 6.625 231 HD11 LEU 30 HD11 LEU 30 0.406 3.256 3.915 232 HD12 LEU 30 HD12 LEU 30 -0.886 2.105 4.252 233 HD13 LEU 30 HD13 LEU 30 0.791 1.660 4.557 234 HD21 LEU 30 HD21 LEU 30 1.245 3.784 7.518 235 HD22 LEU 30 HD22 LEU 30 1.713 4.232 5.878 236 HD23 LEU 30 HD23 LEU 30 2.004 2.596 6.462 237 H SER 31 HN SER 31 -3.126 6.356 5.716 238 HA SER 31 HA SER 31 -4.582 6.139 8.093 239 HB2 SER 31 HB2 SER 31 -5.342 8.159 6.009 240 HB3 SER 31 HB1 SER 31 -5.200 8.359 7.755 241 HG SER 31 HG SER 31 -3.386 8.896 5.899 242 H LEU 32 HN LEU 32 -5.538 5.767 4.741 243 HA LEU 32 HA LEU 32 -8.330 5.641 5.168 244 HB2 LEU 32 HB2 LEU 32 -6.895 5.988 2.998 245 HB3 LEU 32 HB1 LEU 32 -6.968 4.242 2.901 246 HG LEU 32 HG LEU 32 -8.693 5.687 1.595 247 HD11 LEU 32 HD11 LEU 32 -8.754 3.268 1.676 248 HD12 LEU 32 HD12 LEU 32 -10.380 3.932 1.821 249 HD13 LEU 32 HD13 LEU 32 -9.547 3.320 3.250 250 HD21 LEU 32 HD21 LEU 32 -10.142 5.521 4.222 251 HD22 LEU 32 HD22 LEU 32 -10.663 6.312 2.735 252 HD23 LEU 32 HD23 LEU 32 -9.324 6.982 3.667 253 H LEU 33 HN LEU 33 -5.780 3.194 5.077 254 HA LEU 33 HA LEU 33 -7.349 0.887 5.017 255 HB2 LEU 33 HB2 LEU 33 -4.660 1.439 6.249 256 HB3 LEU 33 HB1 LEU 33 -5.381 -0.159 6.256 257 HG LEU 33 HG LEU 33 -4.834 1.389 3.726 258 HD11 LEU 33 HD11 LEU 33 -2.824 0.139 3.468 259 HD12 LEU 33 HD12 LEU 33 -3.153 -0.805 4.917 260 HD13 LEU 33 HD13 LEU 33 -2.765 0.909 5.052 261 HD21 LEU 33 HD21 LEU 33 -5.371 -1.536 4.225 262 HD22 LEU 33 HD22 LEU 33 -5.094 -0.775 2.659 263 HD23 LEU 33 HD23 LEU 33 -6.540 -0.380 3.589 264 H GLN 34 HN GLN 34 -6.069 2.641 7.830 265 HA GLN 34 HA GLN 34 -7.328 0.988 9.756 266 HB2 GLN 34 HB2 GLN 34 -6.296 3.823 9.989 267 HB3 GLN 34 HB1 GLN 34 -6.784 2.818 11.347 268 HG2 GLN 34 HG2 GLN 34 -5.022 1.238 10.860 269 HG3 GLN 34 HG1 GLN 34 -4.566 2.151 9.425 270 HE21 GLN 34 HE21 GLN 34 -3.027 1.445 11.815 271 HE22 GLN 34 HE22 GLN 34 -2.440 2.942 12.450 272 H LYS 35 HN LYS 35 -8.267 3.968 8.142 273 HA LYS 35 HA LYS 35 -10.520 4.617 9.674 274 HB2 LYS 35 HB2 LYS 35 -9.551 6.184 8.095 275 HB3 LYS 35 HB1 LYS 35 -9.929 5.118 6.751 276 HG2 LYS 35 HG2 LYS 35 -12.333 5.438 7.222 277 HG3 LYS 35 HG1 LYS 35 -11.900 6.590 8.485 278 HD2 LYS 35 HD2 LYS 35 -10.968 8.102 6.921 279 HD3 LYS 35 HD1 LYS 35 -10.977 6.891 5.640 280 HE2 LYS 35 HE2 LYS 35 -12.800 8.174 5.076 281 HE3 LYS 35 HE1 LYS 35 -13.552 6.896 6.029 282 HZ1 LYS 35 HZ1 LYS 35 -12.760 9.532 7.133 283 HZ2 LYS 35 HZ2 LYS 35 -13.671 8.332 7.901 284 HZ3 LYS 35 HZ3 LYS 35 -14.316 9.164 6.580 285 H GLU 36 HN GLU 36 -10.190 2.572 6.795 286 HA GLU 36 HA GLU 36 -12.993 1.917 6.756 287 HB2 GLU 36 HB2 GLU 36 -10.615 0.835 5.250 288 HB3 GLU 36 HB1 GLU 36 -12.255 0.246 5.014 289 HG2 GLU 36 HG2 GLU 36 -11.333 3.078 4.576 290 HG3 GLU 36 HG1 GLU 36 -11.602 1.875 3.315 291 H GLY 37 HN GLY 37 -10.385 0.904 8.590 292 HA2 GLY 37 HA2 GLY 37 -10.282 -0.698 10.242 293 HA3 GLY 37 HA1 GLY 37 -11.903 -1.211 9.796 294 H LEU 38 HN LEU 38 -9.490 -1.022 7.344 295 HA LEU 38 HA LEU 38 -9.757 -3.813 6.767 296 HB2 LEU 38 HB2 LEU 38 -7.989 -1.663 5.604 297 HB3 LEU 38 HB1 LEU 38 -8.033 -3.310 5.007 298 HG LEU 38 HG LEU 38 -10.421 -1.471 5.063 299 HD11 LEU 38 HD11 LEU 38 -8.763 -0.589 3.537 300 HD12 LEU 38 HD12 LEU 38 -10.093 -1.310 2.632 301 HD13 LEU 38 HD13 LEU 38 -8.567 -2.177 2.794 302 HD21 LEU 38 HD21 LEU 38 -11.057 -3.794 5.105 303 HD22 LEU 38 HD22 LEU 38 -9.948 -4.160 3.787 304 HD23 LEU 38 HD23 LEU 38 -11.359 -3.142 3.494 305 H LEU 39 HN LEU 39 -7.257 -1.735 8.129 306 HA LEU 39 HA LEU 39 -5.902 -4.126 9.146 307 HB2 LEU 39 HB2 LEU 39 -4.565 -1.786 7.785 308 HB3 LEU 39 HB1 LEU 39 -3.705 -2.979 8.735 309 HG LEU 39 HG LEU 39 -5.155 -3.436 6.131 310 HD11 LEU 39 HD11 LEU 39 -2.261 -3.859 6.811 311 HD12 LEU 39 HD12 LEU 39 -2.885 -2.360 6.129 312 HD13 LEU 39 HD13 LEU 39 -3.016 -3.865 5.217 313 HD21 LEU 39 HD21 LEU 39 -5.586 -5.422 7.249 314 HD22 LEU 39 HD22 LEU 39 -4.075 -5.361 8.151 315 HD23 LEU 39 HD23 LEU 39 -4.060 -5.767 6.435 316 H MET 40 HN MET 40 -4.720 -3.762 11.089 317 HA MET 40 HA MET 40 -5.859 -1.639 12.696 318 HB2 MET 40 HB2 MET 40 -5.745 -3.909 13.596 319 HB3 MET 40 HB1 MET 40 -3.997 -3.910 13.410 320 HG2 MET 40 HG2 MET 40 -3.991 -1.915 14.996 321 HG3 MET 40 HG1 MET 40 -5.665 -2.340 15.346 322 HE1 MET 40 HE1 MET 40 -1.977 -4.936 16.299 323 HE2 MET 40 HE2 MET 40 -1.913 -3.260 15.758 324 HE3 MET 40 HE3 MET 40 -2.448 -4.523 14.650 325 H SER 41 HN SER 41 -2.609 -2.790 11.825 326 HA SER 41 HA SER 41 -1.577 -0.083 12.392 327 HB2 SER 41 HB2 SER 41 0.505 -1.159 13.204 328 HB3 SER 41 HB1 SER 41 -0.890 -1.645 14.163 329 HG SER 41 HG SER 41 -0.899 -3.486 12.469 330 HA PRO 42 HA PRO 42 0.224 -0.135 8.340 331 HB2 PRO 42 HB2 PRO 42 2.780 0.785 8.821 332 HB3 PRO 42 HB1 PRO 42 1.350 1.830 8.715 333 HG2 PRO 42 HG2 PRO 42 2.757 0.803 11.124 334 HG3 PRO 42 HG1 PRO 42 2.037 2.397 10.824 335 HD2 PRO 42 HD2 PRO 42 0.803 0.547 12.331 336 HD3 PRO 42 HD1 PRO 42 -0.098 1.679 11.302 337 H SER 43 HN SER 43 1.807 -1.739 10.969 338 HA SER 43 HA SER 43 3.766 -3.166 9.512 339 HB2 SER 43 HB2 SER 43 3.125 -4.671 11.781 340 HB3 SER 43 HB1 SER 43 4.385 -3.444 11.652 341 HG SER 43 HG SER 43 1.765 -3.219 12.686 342 H ASP 44 HN ASP 44 0.380 -3.502 9.762 343 HA ASP 44 HA ASP 44 0.160 -6.319 9.419 344 HB2 ASP 44 HB2 ASP 44 -1.748 -4.027 8.989 345 HB3 ASP 44 HB1 ASP 44 -2.189 -5.681 8.582 346 H LEU 45 HN LEU 45 1.137 -3.853 7.336 347 HA LEU 45 HA LEU 45 0.115 -4.746 4.858 348 HB2 LEU 45 HB2 LEU 45 1.694 -2.631 5.763 349 HB3 LEU 45 HB1 LEU 45 2.737 -3.513 4.667 350 HG LEU 45 HG LEU 45 1.554 -1.672 3.546 351 HD11 LEU 45 HD11 LEU 45 2.212 -3.634 2.257 352 HD12 LEU 45 HD12 LEU 45 0.726 -2.919 1.637 353 HD13 LEU 45 HD13 LEU 45 0.659 -4.388 2.609 354 HD21 LEU 45 HD21 LEU 45 -0.493 -1.806 4.977 355 HD22 LEU 45 HD22 LEU 45 -0.987 -3.213 4.035 356 HD23 LEU 45 HD23 LEU 45 -0.801 -1.646 3.251 357 H TYR 46 HN TYR 46 2.589 -5.950 6.892 358 HA TYR 46 HA TYR 46 4.049 -7.294 4.799 359 HB2 TYR 46 HB2 TYR 46 4.227 -7.522 7.810 360 HB3 TYR 46 HB1 TYR 46 5.313 -8.321 6.679 361 HD1 TYR 46 HD1 TYR 46 6.587 -6.757 5.022 362 HD2 TYR 46 HD2 TYR 46 4.762 -5.421 8.622 363 HE1 TYR 46 HE1 TYR 46 8.024 -4.764 5.003 364 HE2 TYR 46 HE2 TYR 46 6.195 -3.428 8.615 365 HH TYR 46 HH TYR 46 8.327 -2.698 7.705 366 H SER 47 HN SER 47 1.086 -7.842 5.955 367 HA SER 47 HA SER 47 1.335 -10.760 6.090 368 HB2 SER 47 HB2 SER 47 -1.271 -9.310 6.427 369 HB3 SER 47 HB1 SER 47 -0.714 -10.799 7.191 370 HG SER 47 HG SER 47 -0.248 -8.146 7.891 371 HA PRO 48 HA PRO 48 0.298 -10.501 1.696 372 HB2 PRO 48 HB2 PRO 48 0.688 -13.166 1.211 373 HB3 PRO 48 HB1 PRO 48 2.000 -11.977 1.267 374 HG2 PRO 48 HG2 PRO 48 1.128 -13.914 3.336 375 HG3 PRO 48 HG1 PRO 48 2.763 -13.403 2.880 376 HD2 PRO 48 HD2 PRO 48 1.491 -12.462 5.080 377 HD3 PRO 48 HD1 PRO 48 2.678 -11.510 4.166 378 H GLY 49 HN GLY 49 -1.096 -12.665 4.081 379 HA2 GLY 49 HA2 GLY 49 -3.183 -13.634 2.382 380 HA3 GLY 49 HA1 GLY 49 -3.108 -13.793 4.129 381 H SER 50 HN SER 50 -2.720 -10.707 4.067 382 HA SER 50 HA SER 50 -5.585 -10.153 4.191 383 HB2 SER 50 HB2 SER 50 -3.258 -8.467 5.140 384 HB3 SER 50 HB1 SER 50 -4.965 -8.165 5.462 385 HG SER 50 HG SER 50 -4.990 -9.710 6.920 386 H TRP 51 HN TRP 51 -3.183 -9.902 1.934 387 HA TRP 51 HA TRP 51 -3.569 -7.286 0.922 388 HB2 TRP 51 HB2 TRP 51 -2.537 -9.807 -0.378 389 HB3 TRP 51 HB1 TRP 51 -2.585 -8.253 -1.203 390 HD1 TRP 51 HD1 TRP 51 -1.692 -6.927 1.870 391 HE1 TRP 51 HE1 TRP 51 0.842 -6.875 2.311 392 HE3 TRP 51 HE3 TRP 51 -0.212 -10.325 -1.646 393 HZ2 TRP 51 HZ2 TRP 51 3.164 -8.120 1.287 394 HZ3 TRP 51 HZ3 TRP 51 2.188 -10.838 -1.856 395 HH2 TRP 51 HH2 TRP 51 3.839 -9.754 -0.418 396 H ASP 52 HN ASP 52 -5.123 -10.375 0.215 397 HA ASP 52 HA ASP 52 -6.562 -9.608 -2.048 398 HB2 ASP 52 HB2 ASP 52 -6.360 -11.936 -1.478 399 HB3 ASP 52 HB1 ASP 52 -7.238 -11.692 0.029 400 HA PRO 53 HA PRO 53 -10.419 -8.624 0.825 401 HB2 PRO 53 HB2 PRO 53 -9.598 -7.716 3.340 402 HB3 PRO 53 HB1 PRO 53 -10.335 -9.289 2.995 403 HG2 PRO 53 HG2 PRO 53 -7.480 -8.590 3.372 404 HG3 PRO 53 HG1 PRO 53 -8.365 -10.056 3.841 405 HD2 PRO 53 HD2 PRO 53 -6.724 -10.035 1.725 406 HD3 PRO 53 HD1 PRO 53 -8.228 -10.979 1.731 407 H ILE 54 HN ILE 54 -7.316 -6.982 1.277 408 HA ILE 54 HA ILE 54 -8.433 -4.367 1.483 409 HB ILE 54 HB ILE 54 -5.631 -5.241 0.745 410 HG12 ILE 54 HG12 ILE 54 -6.690 -4.120 3.347 411 HG13 ILE 54 HG11 ILE 54 -6.474 -5.838 3.031 412 HG21 ILE 54 HG21 ILE 54 -6.134 -2.997 -0.111 413 HG22 ILE 54 HG22 ILE 54 -4.948 -2.951 1.194 414 HG23 ILE 54 HG23 ILE 54 -6.622 -2.495 1.507 415 HD11 ILE 54 HD11 ILE 54 -4.077 -5.463 2.699 416 HD12 ILE 54 HD12 ILE 54 -4.620 -4.962 4.301 417 HD13 ILE 54 HD13 ILE 54 -4.310 -3.752 3.056 418 H THR 55 HN THR 55 -6.876 -6.161 -1.163 419 HA THR 55 HA THR 55 -7.062 -4.183 -3.130 420 HB THR 55 HB THR 55 -7.243 -7.166 -3.615 421 HG1 THR 55 HG1 THR 55 -5.427 -6.768 -2.330 422 HG21 THR 55 HG21 THR 55 -6.112 -6.609 -5.730 423 HG22 THR 55 HG22 THR 55 -6.184 -4.897 -5.307 424 HG23 THR 55 HG23 THR 55 -7.672 -5.799 -5.589 425 H ALA 56 HN ALA 56 -9.312 -6.808 -2.300 426 HA ALA 56 HA ALA 56 -11.198 -6.325 -4.312 427 HB1 ALA 56 HB1 ALA 56 -11.617 -7.472 -1.554 428 HB2 ALA 56 HB2 ALA 56 -11.184 -8.374 -3.008 429 HB3 ALA 56 HB3 ALA 56 -12.757 -7.586 -2.895 430 H ALA 57 HN ALA 57 -11.095 -5.164 -0.950 431 HA ALA 57 HA ALA 57 -13.473 -3.689 -1.015 432 HB1 ALA 57 HB1 ALA 57 -10.987 -3.288 0.640 433 HB2 ALA 57 HB2 ALA 57 -12.415 -4.228 1.073 434 HB3 ALA 57 HB3 ALA 57 -12.524 -2.474 0.928 435 H LEU 58 HN LEU 58 -10.123 -2.635 -1.623 436 HA LEU 58 HA LEU 58 -10.762 0.068 -2.089 437 HB2 LEU 58 HB2 LEU 58 -8.410 -1.621 -2.890 438 HB3 LEU 58 HB1 LEU 58 -8.523 0.078 -3.314 439 HG LEU 58 HG LEU 58 -8.498 -1.042 -0.505 440 HD11 LEU 58 HD11 LEU 58 -6.332 -1.197 -1.609 441 HD12 LEU 58 HD12 LEU 58 -6.314 0.022 -0.337 442 HD13 LEU 58 HD13 LEU 58 -6.411 0.513 -2.026 443 HD21 LEU 58 HD21 LEU 58 -8.261 1.355 0.134 444 HD22 LEU 58 HD22 LEU 58 -9.835 0.942 -0.539 445 HD23 LEU 58 HD23 LEU 58 -8.648 1.790 -1.531 446 H SER 59 HN SER 59 -10.376 -2.653 -4.349 447 HA SER 59 HA SER 59 -10.731 -1.126 -6.695 448 HB2 SER 59 HB2 SER 59 -11.407 -4.049 -6.272 449 HB3 SER 59 HB1 SER 59 -11.141 -3.250 -7.821 450 HG SER 59 HG SER 59 -9.282 -3.843 -5.782 451 H GLN 60 HN GLN 60 -13.023 -2.859 -4.629 452 HA GLN 60 HA GLN 60 -15.318 -2.392 -6.188 453 HB2 GLN 60 HB2 GLN 60 -15.278 -4.050 -4.402 454 HB3 GLN 60 HB1 GLN 60 -15.046 -2.786 -3.204 455 HG2 GLN 60 HG2 GLN 60 -17.231 -1.903 -3.624 456 HG3 GLN 60 HG1 GLN 60 -17.467 -3.020 -4.968 457 HE21 GLN 60 HE21 GLN 60 -17.242 -2.717 -1.506 458 HE22 GLN 60 HE22 GLN 60 -17.960 -4.244 -1.133 459 H ARG 61 HN ARG 61 -13.904 -0.609 -3.471 460 HA ARG 61 HA ARG 61 -15.833 1.415 -3.304 461 HB2 ARG 61 HB2 ARG 61 -14.185 1.085 -1.555 462 HB3 ARG 61 HB1 ARG 61 -12.879 1.464 -2.666 463 HG2 ARG 61 HG2 ARG 61 -13.514 3.750 -2.768 464 HG3 ARG 61 HG1 ARG 61 -15.032 3.428 -1.926 465 HD2 ARG 61 HD2 ARG 61 -14.040 3.744 0.032 466 HD3 ARG 61 HD1 ARG 61 -12.879 2.466 -0.326 467 HE ARG 61 HE ARG 61 -11.425 4.138 -1.270 468 HH11 ARG 61 HH11 ARG 61 -14.144 5.361 0.570 469 HH12 ARG 61 HH12 ARG 61 -13.411 6.899 0.872 470 HH21 ARG 61 HH21 ARG 61 -10.444 6.161 -0.850 471 HH22 ARG 61 HH22 ARG 61 -11.318 7.356 0.068 472 H ALA 62 HN ALA 62 -12.912 1.138 -5.244 473 HA ALA 62 HA ALA 62 -12.943 3.732 -6.337 474 HB1 ALA 62 HB1 ALA 62 -11.792 1.255 -7.595 475 HB2 ALA 62 HB2 ALA 62 -10.999 2.190 -6.327 476 HB3 ALA 62 HB3 ALA 62 -11.320 2.927 -7.896 477 H MET 63 HN MET 63 -14.216 0.654 -7.622 478 HA MET 63 HA MET 63 -15.105 1.833 -10.062 479 HB2 MET 63 HB2 MET 63 -16.078 -0.271 -10.583 480 HB3 MET 63 HB1 MET 63 -14.564 -0.596 -9.755 481 HG2 MET 63 HG2 MET 63 -15.819 -1.017 -7.682 482 HG3 MET 63 HG1 MET 63 -17.320 -0.751 -8.564 483 HE1 MET 63 HE1 MET 63 -14.043 -2.780 -9.837 484 HE2 MET 63 HE2 MET 63 -14.456 -4.316 -9.074 485 HE3 MET 63 HE3 MET 63 -14.185 -2.881 -8.083 486 H ILE 64 HN ILE 64 -16.522 1.615 -6.910 487 HA ILE 64 HA ILE 64 -19.198 2.132 -7.921 488 HB ILE 64 HB ILE 64 -18.132 1.785 -5.121 489 HG12 ILE 64 HG12 ILE 64 -20.063 0.156 -6.794 490 HG13 ILE 64 HG11 ILE 64 -18.375 -0.248 -6.495 491 HG21 ILE 64 HG21 ILE 64 -20.414 1.975 -4.304 492 HG22 ILE 64 HG22 ILE 64 -20.989 2.322 -5.934 493 HG23 ILE 64 HG23 ILE 64 -19.931 3.470 -5.111 494 HD11 ILE 64 HD11 ILE 64 -19.887 -1.549 -5.101 495 HD12 ILE 64 HD12 ILE 64 -20.530 -0.061 -4.405 496 HD13 ILE 64 HD13 ILE 64 -18.847 -0.511 -4.126 497 H LEU 65 HN LEU 65 -16.817 3.812 -5.862 498 HA LEU 65 HA LEU 65 -18.398 6.206 -5.778 499 HB2 LEU 65 HB2 LEU 65 -16.143 5.154 -4.409 500 HB3 LEU 65 HB1 LEU 65 -15.680 6.707 -5.076 501 HG LEU 65 HG LEU 65 -17.614 7.750 -3.947 502 HD11 LEU 65 HD11 LEU 65 -17.975 5.035 -2.686 503 HD12 LEU 65 HD12 LEU 65 -19.070 5.782 -3.850 504 HD13 LEU 65 HD13 LEU 65 -18.847 6.508 -2.260 505 HD21 LEU 65 HD21 LEU 65 -15.748 6.189 -2.169 506 HD22 LEU 65 HD22 LEU 65 -16.715 7.574 -1.667 507 HD23 LEU 65 HD23 LEU 65 -15.447 7.777 -2.875 508 H GLY 66 HN GLY 66 -15.897 4.960 -7.833 509 HA2 GLY 66 HA2 GLY 66 -15.381 5.777 -9.964 510 HA3 GLY 66 HA1 GLY 66 -16.199 7.278 -9.562 511 H LYS 67 HN LYS 67 -13.803 5.899 -7.436 512 HA LYS 67 HA LYS 67 -11.719 7.649 -8.456 513 HB2 LYS 67 HB2 LYS 67 -11.319 8.525 -6.092 514 HB3 LYS 67 HB1 LYS 67 -12.683 9.196 -6.974 515 HG2 LYS 67 HG2 LYS 67 -14.236 7.908 -5.720 516 HG3 LYS 67 HG1 LYS 67 -12.946 6.958 -4.981 517 HD2 LYS 67 HD2 LYS 67 -13.288 8.422 -3.278 518 HD3 LYS 67 HD1 LYS 67 -12.156 9.394 -4.221 519 HE2 LYS 67 HE2 LYS 67 -15.128 9.585 -4.617 520 HE3 LYS 67 HE1 LYS 67 -14.295 10.523 -3.381 521 HZ1 LYS 67 HZ1 LYS 67 -14.536 11.815 -5.376 522 HZ2 LYS 67 HZ2 LYS 67 -13.778 10.624 -6.303 523 HZ3 LYS 67 HZ3 LYS 67 -12.895 11.469 -5.135 524 H SER 68 HN SER 68 -9.867 6.602 -8.448 525 HA SER 68 HA SER 68 -9.536 4.329 -6.605 526 HB2 SER 68 HB2 SER 68 -7.720 4.467 -8.910 527 HB3 SER 68 HB1 SER 68 -8.688 3.115 -8.320 528 HG SER 68 HG SER 68 -10.521 4.205 -9.315 529 H GLY 69 HN GLY 69 -8.989 6.906 -5.685 530 HA2 GLY 69 HA2 GLY 69 -6.379 7.842 -6.046 531 HA3 GLY 69 HA1 GLY 69 -7.359 8.119 -4.616 532 H GLU 70 HN GLU 70 -7.632 5.637 -3.561 533 HA GLU 70 HA GLU 70 -5.023 5.218 -2.431 534 HB2 GLU 70 HB2 GLU 70 -7.703 3.906 -1.984 535 HB3 GLU 70 HB1 GLU 70 -6.245 3.377 -1.158 536 HG2 GLU 70 HG2 GLU 70 -7.233 4.795 0.372 537 HG3 GLU 70 HG1 GLU 70 -6.039 5.831 -0.407 538 H LEU 71 HN LEU 71 -7.055 3.622 -4.772 539 HA LEU 71 HA LEU 71 -5.842 1.103 -4.829 540 HB2 LEU 71 HB2 LEU 71 -7.892 2.348 -6.181 541 HB3 LEU 71 HB1 LEU 71 -6.709 2.080 -7.445 542 HG LEU 71 HG LEU 71 -7.897 -0.050 -5.661 543 HD11 LEU 71 HD11 LEU 71 -8.935 -0.829 -7.762 544 HD12 LEU 71 HD12 LEU 71 -8.352 0.631 -8.557 545 HD13 LEU 71 HD13 LEU 71 -9.520 0.750 -7.240 546 HD21 LEU 71 HD21 LEU 71 -6.757 -1.638 -7.106 547 HD22 LEU 71 HD22 LEU 71 -5.597 -0.574 -6.309 548 HD23 LEU 71 HD23 LEU 71 -6.017 -0.312 -8.003 549 H LYS 72 HN LYS 72 -5.003 4.109 -6.511 550 HA LYS 72 HA LYS 72 -3.075 3.085 -8.261 551 HB2 LYS 72 HB2 LYS 72 -3.368 5.781 -6.951 552 HB3 LYS 72 HB1 LYS 72 -2.055 5.431 -8.068 553 HG2 LYS 72 HG2 LYS 72 -4.231 4.586 -9.481 554 HG3 LYS 72 HG1 LYS 72 -4.881 5.964 -8.586 555 HD2 LYS 72 HD2 LYS 72 -2.422 5.982 -10.341 556 HD3 LYS 72 HD1 LYS 72 -3.997 6.657 -10.756 557 HE2 LYS 72 HE2 LYS 72 -3.771 8.145 -8.741 558 HE3 LYS 72 HE1 LYS 72 -2.107 7.579 -8.599 559 HZ1 LYS 72 HZ1 LYS 72 -1.854 8.361 -10.979 560 HZ2 LYS 72 HZ2 LYS 72 -1.993 9.564 -9.803 561 HZ3 LYS 72 HZ3 LYS 72 -3.323 9.174 -10.775 562 H THR 73 HN THR 73 -2.686 4.406 -4.988 563 HA THR 73 HA THR 73 0.103 3.935 -4.845 564 HB THR 73 HB THR 73 -1.811 4.157 -2.518 565 HG1 THR 73 HG1 THR 73 -0.587 6.180 -4.112 566 HG21 THR 73 HG21 THR 73 1.120 4.818 -2.830 567 HG22 THR 73 HG22 THR 73 0.437 3.508 -1.865 568 HG23 THR 73 HG23 THR 73 0.150 5.189 -1.408 569 H TRP 74 HN TRP 74 -2.731 2.094 -3.772 570 HA TRP 74 HA TRP 74 -1.401 0.069 -2.388 571 HB2 TRP 74 HB2 TRP 74 -3.773 0.273 -2.155 572 HB3 TRP 74 HB1 TRP 74 -4.023 0.064 -3.886 573 HD1 TRP 74 HD1 TRP 74 -4.838 -2.271 -4.516 574 HE1 TRP 74 HE1 TRP 74 -4.674 -4.637 -3.502 575 HE3 TRP 74 HE3 TRP 74 -1.918 -1.217 -0.457 576 HZ2 TRP 74 HZ2 TRP 74 -3.466 -5.882 -1.293 577 HZ3 TRP 74 HZ3 TRP 74 -1.300 -3.056 1.057 578 HH2 TRP 74 HH2 TRP 74 -2.057 -5.341 0.644 579 H GLY 75 HN GLY 75 -2.384 0.213 -5.800 580 HA2 GLY 75 HA2 GLY 75 -1.529 -2.323 -6.584 581 HA3 GLY 75 HA1 GLY 75 -1.629 -0.923 -7.641 582 H LEU 76 HN LEU 76 0.298 0.678 -6.307 583 HA LEU 76 HA LEU 76 2.664 -0.318 -7.535 584 HB2 LEU 76 HB2 LEU 76 2.244 2.005 -5.650 585 HB3 LEU 76 HB1 LEU 76 3.740 1.678 -6.506 586 HG LEU 76 HG LEU 76 1.106 2.253 -7.869 587 HD11 LEU 76 HD11 LEU 76 1.820 4.210 -6.635 588 HD12 LEU 76 HD12 LEU 76 2.084 4.460 -8.361 589 HD13 LEU 76 HD13 LEU 76 3.444 4.072 -7.307 590 HD21 LEU 76 HD21 LEU 76 2.612 0.949 -9.233 591 HD22 LEU 76 HD22 LEU 76 3.935 2.065 -8.896 592 HD23 LEU 76 HD23 LEU 76 2.544 2.603 -9.839 593 H VAL 77 HN VAL 77 1.610 0.007 -4.169 594 HA VAL 77 HA VAL 77 4.038 -0.957 -3.035 595 HB VAL 77 HB VAL 77 1.247 -0.863 -1.867 596 HG11 VAL 77 HG11 VAL 77 3.896 -1.311 -0.493 597 HG12 VAL 77 HG12 VAL 77 2.608 -2.498 -0.693 598 HG13 VAL 77 HG13 VAL 77 2.345 -1.076 0.315 599 HG21 VAL 77 HG21 VAL 77 2.083 1.131 -0.683 600 HG22 VAL 77 HG22 VAL 77 2.080 1.342 -2.432 601 HG23 VAL 77 HG23 VAL 77 3.593 1.018 -1.585 602 H LEU 78 HN LEU 78 0.931 -2.462 -3.805 603 HA LEU 78 HA LEU 78 1.442 -5.019 -2.798 604 HB2 LEU 78 HB2 LEU 78 -0.781 -4.281 -3.437 605 HB3 LEU 78 HB1 LEU 78 -0.286 -4.145 -5.112 606 HG LEU 78 HG LEU 78 0.089 -6.619 -5.143 607 HD11 LEU 78 HD11 LEU 78 -1.207 -6.461 -2.426 608 HD12 LEU 78 HD12 LEU 78 0.423 -7.028 -2.792 609 HD13 LEU 78 HD13 LEU 78 -0.975 -7.942 -3.355 610 HD21 LEU 78 HD21 LEU 78 -2.283 -7.194 -5.254 611 HD22 LEU 78 HD22 LEU 78 -1.956 -5.643 -6.028 612 HD23 LEU 78 HD23 LEU 78 -2.688 -5.691 -4.423 613 H GLY 79 HN GLY 79 1.977 -3.704 -6.060 614 HA2 GLY 79 HA2 GLY 79 2.908 -6.081 -7.238 615 HA3 GLY 79 HA1 GLY 79 3.254 -4.459 -7.808 616 H ALA 80 HN ALA 80 4.522 -3.810 -5.159 617 HA ALA 80 HA ALA 80 7.167 -4.713 -5.882 618 HB1 ALA 80 HB1 ALA 80 7.923 -3.240 -4.066 619 HB2 ALA 80 HB2 ALA 80 6.241 -2.950 -3.618 620 HB3 ALA 80 HB3 ALA 80 6.839 -2.412 -5.185 621 H LEU 81 HN LEU 81 5.057 -5.023 -3.027 622 HA LEU 81 HA LEU 81 6.850 -6.722 -1.611 623 HB2 LEU 81 HB2 LEU 81 3.921 -6.119 -1.256 624 HB3 LEU 81 HB1 LEU 81 4.812 -7.177 -0.179 625 HG LEU 81 HG LEU 81 5.412 -4.250 -0.650 626 HD11 LEU 81 HD11 LEU 81 4.171 -5.656 1.711 627 HD12 LEU 81 HD12 LEU 81 3.334 -4.595 0.581 628 HD13 LEU 81 HD13 LEU 81 4.592 -3.945 1.632 629 HD21 LEU 81 HD21 LEU 81 7.448 -5.347 -0.118 630 HD22 LEU 81 HD22 LEU 81 6.675 -6.331 1.127 631 HD23 LEU 81 HD23 LEU 81 6.879 -4.595 1.370 632 H LYS 82 HN LYS 82 4.145 -7.326 -3.781 633 HA LYS 82 HA LYS 82 3.809 -10.063 -3.251 634 HB2 LYS 82 HB2 LYS 82 2.477 -8.344 -4.773 635 HB3 LYS 82 HB1 LYS 82 3.483 -9.044 -6.035 636 HG2 LYS 82 HG2 LYS 82 2.598 -11.218 -5.641 637 HG3 LYS 82 HG1 LYS 82 1.758 -10.672 -4.187 638 HD2 LYS 82 HD2 LYS 82 0.390 -9.168 -5.584 639 HD3 LYS 82 HD1 LYS 82 1.197 -9.800 -7.020 640 HE2 LYS 82 HE2 LYS 82 -0.443 -11.407 -5.065 641 HE3 LYS 82 HE1 LYS 82 -0.982 -10.864 -6.652 642 HZ1 LYS 82 HZ1 LYS 82 1.075 -12.145 -7.482 643 HZ2 LYS 82 HZ2 LYS 82 -0.299 -13.020 -7.030 644 HZ3 LYS 82 HZ3 LYS 82 1.019 -12.919 -5.979 645 H ALA 83 HN ALA 83 5.988 -8.339 -5.410 646 HA ALA 83 HA ALA 83 7.097 -10.706 -6.586 647 HB1 ALA 83 HB1 ALA 83 8.737 -9.158 -7.576 648 HB2 ALA 83 HB2 ALA 83 8.097 -7.857 -6.573 649 HB3 ALA 83 HB3 ALA 83 7.081 -8.600 -7.807 650 H ALA 84 HN ALA 84 7.873 -8.600 -3.895 651 HA ALA 84 HA ALA 84 10.499 -9.457 -3.407 652 HB1 ALA 84 HB1 ALA 84 8.467 -8.435 -1.428 653 HB2 ALA 84 HB2 ALA 84 9.549 -7.444 -2.404 654 HB3 ALA 84 HB3 ALA 84 10.209 -8.521 -1.175 655 H ARG 85 HN ARG 85 7.396 -10.798 -2.467 656 HA ARG 85 HA ARG 85 8.624 -12.768 -0.736 657 HB2 ARG 85 HB2 ARG 85 5.802 -12.117 -1.503 658 HB3 ARG 85 HB1 ARG 85 6.173 -13.654 -0.735 659 HG2 ARG 85 HG2 ARG 85 7.384 -12.190 1.032 660 HG3 ARG 85 HG1 ARG 85 6.379 -10.895 0.376 661 HD2 ARG 85 HD2 ARG 85 4.381 -12.252 0.809 662 HD3 ARG 85 HD1 ARG 85 5.397 -13.519 1.491 663 HE ARG 85 HE ARG 85 4.925 -10.862 2.663 664 HH11 ARG 85 HH11 ARG 85 6.353 -14.031 4.688 665 HH12 ARG 85 HH12 ARG 85 6.164 -14.132 2.966 666 HH21 ARG 85 HH21 ARG 85 5.791 -12.100 5.799 667 HH22 ARG 85 HH22 ARG 85 5.164 -10.739 4.924 668 H GLU 86 HN GLU 86 8.205 -12.498 -4.035 669 HA GLU 86 HA GLU 86 7.543 -15.232 -4.613 670 HB2 GLU 86 HB2 GLU 86 8.534 -12.923 -6.263 671 HB3 GLU 86 HB1 GLU 86 8.430 -14.544 -6.942 672 HG2 GLU 86 HG2 GLU 86 6.051 -14.609 -6.474 673 HG3 GLU 86 HG1 GLU 86 6.142 -13.016 -5.726 674 H GLU 87 HN GLU 87 10.404 -13.449 -3.946 675 HA GLU 87 HA GLU 87 12.194 -15.471 -4.981 676 HB2 GLU 87 HB2 GLU 87 12.831 -13.052 -3.288 677 HB3 GLU 87 HB1 GLU 87 13.973 -14.016 -4.215 678 HG2 GLU 87 HG2 GLU 87 12.766 -13.313 -6.281 679 HG3 GLU 87 HG1 GLU 87 11.817 -12.212 -5.280 680 H1 FGV 101 H1 IP3 1 12.763 10.975 -1.744 681 H2 FGV 101 H2 IP3 1 13.303 9.505 0.168 682 H3 FGV 101 H3 IP3 1 12.121 11.612 0.645 683 H4 FGV 101 H4 IP3 1 9.549 9.974 0.404 684 H5 FGV 101 H5 IP3 1 10.612 12.265 -1.306 685 H6 FGV 101 H6 IP3 1 10.204 9.327 -2.013 686 H11 FGV 101 H11 IP3 1 16.148 8.430 -3.888 687 H12 FGV 101 H12 IP3 1 10.757 8.415 -0.467 688 H14 FGV 101 H14 IP3 1 8.932 12.364 0.425 689 H16 FGV 101 H16 IP3 1 10.261 11.544 -3.395 Start of MODEL 12 1 H1 SER 1 HT1 SER 1 2.592 4.884 10.013 2 H2 SER 1 HT2 SER 1 2.049 4.263 11.490 3 H3 SER 1 HT3 SER 1 3.701 4.284 11.141 4 HA SER 1 HA SER 1 1.953 6.621 11.565 5 HB2 SER 1 HB2 SER 1 4.366 6.060 13.210 6 HB3 SER 1 HB1 SER 1 2.822 6.769 13.682 7 HG SER 1 HG SER 1 2.802 4.772 14.564 8 H GLU 2 HN GLU 2 5.430 5.724 11.367 9 HA GLU 2 HA GLU 2 5.822 7.819 9.390 10 HB2 GLU 2 HB2 GLU 2 7.923 8.483 10.872 11 HB3 GLU 2 HB1 GLU 2 6.358 9.249 11.087 12 HG2 GLU 2 HG2 GLU 2 5.911 8.075 13.044 13 HG3 GLU 2 HG1 GLU 2 7.115 6.842 12.691 14 H ALA 3 HN ALA 3 7.822 5.774 11.523 15 HA ALA 3 HA ALA 3 9.919 5.355 9.768 16 HB1 ALA 3 HB1 ALA 3 10.510 3.444 11.165 17 HB2 ALA 3 HB2 ALA 3 8.913 3.494 11.911 18 HB3 ALA 3 HB3 ALA 3 10.034 4.836 12.140 19 H VAL 4 HN VAL 4 6.923 3.519 10.104 20 HA VAL 4 HA VAL 4 7.592 1.327 8.511 21 HB VAL 4 HB VAL 4 4.836 2.549 8.690 22 HG11 VAL 4 HG11 VAL 4 5.802 -0.272 8.229 23 HG12 VAL 4 HG12 VAL 4 5.034 0.787 7.045 24 HG13 VAL 4 HG13 VAL 4 4.115 0.201 8.434 25 HG21 VAL 4 HG21 VAL 4 6.274 2.015 10.875 26 HG22 VAL 4 HG22 VAL 4 5.659 0.396 10.549 27 HG23 VAL 4 HG23 VAL 4 4.537 1.733 10.787 28 H ILE 5 HN ILE 5 6.373 4.517 7.609 29 HA ILE 5 HA ILE 5 5.801 3.930 4.911 30 HB ILE 5 HB ILE 5 6.683 6.636 5.905 31 HG12 ILE 5 HG12 ILE 5 3.897 5.462 6.059 32 HG13 ILE 5 HG11 ILE 5 4.969 5.687 7.434 33 HG21 ILE 5 HG21 ILE 5 4.849 5.719 3.696 34 HG22 ILE 5 HG22 ILE 5 6.423 6.499 3.524 35 HG23 ILE 5 HG23 ILE 5 5.057 7.404 4.181 36 HD11 ILE 5 HD11 ILE 5 3.481 7.495 7.475 37 HD12 ILE 5 HD12 ILE 5 3.652 7.779 5.744 38 HD13 ILE 5 HD13 ILE 5 4.990 8.144 6.834 39 H LYS 6 HN LYS 6 8.699 4.993 6.583 40 HA LYS 6 HA LYS 6 10.284 5.554 4.327 41 HB2 LYS 6 HB2 LYS 6 10.789 4.986 7.203 42 HB3 LYS 6 HB1 LYS 6 12.149 4.837 6.102 43 HG2 LYS 6 HG2 LYS 6 10.436 7.300 6.284 44 HG3 LYS 6 HG1 LYS 6 11.905 7.063 7.231 45 HD2 LYS 6 HD2 LYS 6 11.789 6.951 4.220 46 HD3 LYS 6 HD1 LYS 6 12.236 8.385 5.142 47 HE2 LYS 6 HE2 LYS 6 14.077 7.071 6.177 48 HE3 LYS 6 HE1 LYS 6 13.672 5.732 5.103 49 HZ1 LYS 6 HZ1 LYS 6 14.559 8.437 4.259 50 HZ2 LYS 6 HZ2 LYS 6 14.140 7.178 3.211 51 HZ3 LYS 6 HZ3 LYS 6 15.491 7.028 4.215 52 H VAL 7 HN VAL 7 9.764 2.607 6.196 53 HA VAL 7 HA VAL 7 11.670 0.980 4.926 54 HB VAL 7 HB VAL 7 9.026 0.138 6.130 55 HG11 VAL 7 HG11 VAL 7 10.026 -1.591 4.711 56 HG12 VAL 7 HG12 VAL 7 10.066 -2.049 6.415 57 HG13 VAL 7 HG13 VAL 7 11.530 -1.463 5.623 58 HG21 VAL 7 HG21 VAL 7 10.319 1.365 7.752 59 HG22 VAL 7 HG22 VAL 7 11.757 0.419 7.373 60 HG23 VAL 7 HG23 VAL 7 10.376 -0.354 8.148 61 H ILE 8 HN ILE 8 8.235 1.522 4.238 62 HA ILE 8 HA ILE 8 8.044 -0.241 2.048 63 HB ILE 8 HB ILE 8 6.434 2.257 2.599 64 HG12 ILE 8 HG12 ILE 8 6.296 0.683 4.447 65 HG13 ILE 8 HG11 ILE 8 4.776 0.689 3.556 66 HG21 ILE 8 HG21 ILE 8 6.259 1.491 0.264 67 HG22 ILE 8 HG22 ILE 8 4.737 1.332 1.144 68 HG23 ILE 8 HG23 ILE 8 5.734 -0.092 0.843 69 HD11 ILE 8 HD11 ILE 8 5.536 -1.372 2.383 70 HD12 ILE 8 HD12 ILE 8 5.317 -1.564 4.122 71 HD13 ILE 8 HD13 ILE 8 6.940 -1.401 3.450 72 H SER 9 HN SER 9 8.714 3.240 2.213 73 HA SER 9 HA SER 9 8.859 3.697 -0.557 74 HB2 SER 9 HB2 SER 9 10.301 5.172 1.658 75 HB3 SER 9 HB1 SER 9 9.983 5.784 0.036 76 HG SER 9 HG SER 9 8.077 5.159 2.052 77 H SER 10 HN SER 10 11.248 2.533 1.741 78 HA SER 10 HA SER 10 13.478 2.842 0.004 79 HB2 SER 10 HB2 SER 10 13.290 2.412 2.642 80 HB3 SER 10 HB1 SER 10 13.537 0.748 2.115 81 HG SER 10 HG SER 10 15.370 1.704 0.860 82 H ALA 11 HN ALA 11 10.995 0.454 0.306 83 HA ALA 11 HA ALA 11 12.526 -1.545 -1.156 84 HB1 ALA 11 HB1 ALA 11 11.212 -2.355 0.686 85 HB2 ALA 11 HB2 ALA 11 10.525 -2.975 -0.818 86 HB3 ALA 11 HB3 ALA 11 9.754 -1.627 0.020 87 H CYS 12 HN CYS 12 9.590 0.421 -1.599 88 HA CYS 12 HA CYS 12 8.856 -0.635 -4.084 89 HB2 CYS 12 HB2 CYS 12 7.492 1.371 -4.369 90 HB3 CYS 12 HB1 CYS 12 7.349 0.740 -2.732 91 HG CYS 12 HG CYS 12 7.313 3.468 -2.451 92 H LYS 13 HN LYS 13 11.114 1.960 -3.289 93 HA LYS 13 HA LYS 13 11.482 2.836 -5.966 94 HB2 LYS 13 HB2 LYS 13 13.290 3.119 -3.567 95 HB3 LYS 13 HB1 LYS 13 13.504 3.965 -5.093 96 HG2 LYS 13 HG2 LYS 13 10.833 4.330 -4.043 97 HG3 LYS 13 HG1 LYS 13 12.065 4.836 -2.887 98 HD2 LYS 13 HD2 LYS 13 13.020 6.360 -4.452 99 HD3 LYS 13 HD1 LYS 13 12.037 5.720 -5.772 100 HE2 LYS 13 HE2 LYS 13 10.019 6.553 -4.708 101 HE3 LYS 13 HE1 LYS 13 10.952 7.117 -3.324 102 HZ1 LYS 13 HZ1 LYS 13 10.317 8.575 -5.538 103 HZ2 LYS 13 HZ2 LYS 13 11.936 8.160 -5.798 104 HZ3 LYS 13 HZ3 LYS 13 11.489 8.979 -4.385 105 H THR 14 HN THR 14 12.608 0.092 -4.264 106 HA THR 14 HA THR 14 14.912 -0.325 -5.975 107 HB THR 14 HB THR 14 13.677 -2.105 -3.866 108 HG1 THR 14 HG1 THR 14 15.018 0.074 -3.543 109 HG21 THR 14 HG21 THR 14 16.317 -2.365 -5.314 110 HG22 THR 14 HG22 THR 14 14.916 -3.417 -5.523 111 HG23 THR 14 HG23 THR 14 15.767 -3.380 -3.979 112 H TYR 15 HN TYR 15 11.697 -1.735 -5.473 113 HA TYR 15 HA TYR 15 12.071 -3.640 -7.611 114 HB2 TYR 15 HB2 TYR 15 9.726 -2.979 -5.837 115 HB3 TYR 15 HB1 TYR 15 9.629 -4.158 -7.144 116 HD1 TYR 15 HD1 TYR 15 10.840 -3.499 -3.784 117 HD2 TYR 15 HD2 TYR 15 10.961 -6.234 -7.039 118 HE1 TYR 15 HE1 TYR 15 11.751 -5.228 -2.291 119 HE2 TYR 15 HE2 TYR 15 11.871 -7.970 -5.553 120 HH TYR 15 HH TYR 15 12.017 -7.553 -2.120 121 H CYS 16 HN CYS 16 9.737 -0.973 -7.085 122 HA CYS 16 HA CYS 16 8.865 -1.029 -9.803 123 HB2 CYS 16 HB2 CYS 16 8.496 1.310 -7.948 124 HB3 CYS 16 HB1 CYS 16 7.428 0.742 -9.225 125 HG CYS 16 HG CYS 16 6.347 -1.331 -7.882 126 H GLY 17 HN GLY 17 11.261 0.777 -8.000 127 HA2 GLY 17 HA2 GLY 17 13.138 1.829 -8.918 128 HA3 GLY 17 HA1 GLY 17 12.379 1.740 -10.503 129 H LYS 18 HN LYS 18 12.152 3.725 -11.270 130 HA LYS 18 HA LYS 18 11.800 5.989 -9.531 131 HB2 LYS 18 HB2 LYS 18 11.747 7.293 -11.640 132 HB3 LYS 18 HB1 LYS 18 13.153 6.246 -11.516 133 HG2 LYS 18 HG2 LYS 18 11.607 4.582 -12.858 134 HG3 LYS 18 HG1 LYS 18 10.815 6.084 -13.346 135 HD2 LYS 18 HD2 LYS 18 13.771 5.523 -13.615 136 HD3 LYS 18 HD1 LYS 18 12.591 5.354 -14.917 137 HE2 LYS 18 HE2 LYS 18 12.079 7.712 -14.806 138 HE3 LYS 18 HE1 LYS 18 13.142 7.911 -13.415 139 HZ1 LYS 18 HZ1 LYS 18 15.026 7.343 -14.787 140 HZ2 LYS 18 HZ2 LYS 18 14.184 8.630 -15.493 141 HZ3 LYS 18 HZ3 LYS 18 14.023 7.068 -16.121 142 H THR 19 HN THR 19 9.738 3.754 -10.976 143 HA THR 19 HA THR 19 7.458 5.572 -11.083 144 HB THR 19 HB THR 19 6.459 3.117 -11.717 145 HG1 THR 19 HG1 THR 19 7.985 1.861 -12.549 146 HG21 THR 19 HG21 THR 19 6.206 5.146 -13.051 147 HG22 THR 19 HG22 THR 19 6.719 3.800 -14.067 148 HG23 THR 19 HG23 THR 19 7.886 5.027 -13.574 149 H SER 20 HN SER 20 8.585 5.109 -8.554 150 HA SER 20 HA SER 20 6.824 3.215 -7.194 151 HB2 SER 20 HB2 SER 20 8.324 4.079 -5.208 152 HB3 SER 20 HB1 SER 20 8.985 2.942 -6.384 153 HG SER 20 HG SER 20 10.286 4.438 -7.127 154 HA PRO 21 HA PRO 21 4.127 6.384 -5.694 155 HB2 PRO 21 HB2 PRO 21 3.408 5.368 -3.273 156 HB3 PRO 21 HB1 PRO 21 2.806 4.713 -4.808 157 HG2 PRO 21 HG2 PRO 21 4.956 3.684 -3.031 158 HG3 PRO 21 HG1 PRO 21 3.725 2.798 -3.949 159 HD2 PRO 21 HD2 PRO 21 6.308 3.043 -4.770 160 HD3 PRO 21 HD1 PRO 21 4.940 2.839 -5.881 161 H SER 22 HN SER 22 4.148 8.207 -4.437 162 HA SER 22 HA SER 22 6.627 8.809 -3.108 163 HB2 SER 22 HB2 SER 22 4.264 10.634 -3.004 164 HB3 SER 22 HB1 SER 22 5.971 11.016 -3.228 165 HG SER 22 HG SER 22 4.158 9.912 -5.120 166 H LYS 23 HN LYS 23 6.781 9.631 -0.925 167 HA LYS 23 HA LYS 23 5.679 7.957 1.001 168 HB2 LYS 23 HB2 LYS 23 7.703 9.118 1.480 169 HB3 LYS 23 HB1 LYS 23 6.942 10.681 1.231 170 HG2 LYS 23 HG2 LYS 23 5.556 10.308 3.225 171 HG3 LYS 23 HG1 LYS 23 6.379 8.771 3.492 172 HD2 LYS 23 HD2 LYS 23 8.416 9.821 3.977 173 HD3 LYS 23 HD1 LYS 23 7.897 11.348 3.266 174 HE2 LYS 23 HE2 LYS 23 6.088 11.307 5.124 175 HE3 LYS 23 HE1 LYS 23 7.150 10.135 5.901 176 HZ1 LYS 23 HZ1 LYS 23 8.062 12.810 5.011 177 HZ2 LYS 23 HZ2 LYS 23 8.886 11.724 6.005 178 HZ3 LYS 23 HZ3 LYS 23 7.496 12.502 6.573 179 H LYS 24 HN LYS 24 4.674 11.199 0.014 180 HA LYS 24 HA LYS 24 2.699 11.636 1.933 181 HB2 LYS 24 HB2 LYS 24 2.870 12.601 -0.924 182 HB3 LYS 24 HB1 LYS 24 1.697 13.199 0.241 183 HG2 LYS 24 HG2 LYS 24 3.661 13.851 1.691 184 HG3 LYS 24 HG1 LYS 24 4.686 13.504 0.298 185 HD2 LYS 24 HD2 LYS 24 2.359 15.410 0.175 186 HD3 LYS 24 HD1 LYS 24 3.992 15.924 0.605 187 HE2 LYS 24 HE2 LYS 24 3.447 14.389 -1.917 188 HE3 LYS 24 HE1 LYS 24 3.242 16.136 -1.848 189 HZ1 LYS 24 HZ1 LYS 24 5.571 16.300 -1.115 190 HZ2 LYS 24 HZ2 LYS 24 5.419 15.618 -2.656 191 HZ3 LYS 24 HZ3 LYS 24 5.742 14.631 -1.322 192 H GLU 25 HN GLU 25 2.594 9.760 -1.018 193 HA GLU 25 HA GLU 25 -0.261 9.463 -1.032 194 HB2 GLU 25 HB2 GLU 25 1.797 7.768 -2.445 195 HB3 GLU 25 HB1 GLU 25 0.097 7.927 -2.852 196 HG2 GLU 25 HG2 GLU 25 0.462 10.272 -3.453 197 HG3 GLU 25 HG1 GLU 25 2.173 10.099 -3.059 198 H ILE 26 HN ILE 26 2.504 7.470 -0.069 199 HA ILE 26 HA ILE 26 1.073 5.148 0.593 200 HB ILE 26 HB ILE 26 3.653 6.127 1.827 201 HG12 ILE 26 HG12 ILE 26 3.256 4.293 -0.549 202 HG13 ILE 26 HG11 ILE 26 3.646 6.005 -0.678 203 HG21 ILE 26 HG21 ILE 26 2.594 4.307 3.080 204 HG22 ILE 26 HG22 ILE 26 4.084 3.775 2.298 205 HG23 ILE 26 HG23 ILE 26 2.520 3.337 1.610 206 HD11 ILE 26 HD11 ILE 26 5.754 5.622 0.468 207 HD12 ILE 26 HD12 ILE 26 5.612 4.601 -0.962 208 HD13 ILE 26 HD13 ILE 26 5.358 3.913 0.642 209 H GLY 27 HN GLY 27 2.017 7.940 2.575 210 HA2 GLY 27 HA2 GLY 27 1.092 7.003 5.044 211 HA3 GLY 27 HA1 GLY 27 1.238 8.697 4.597 212 H ALA 28 HN ALA 28 -0.605 8.873 2.555 213 HA ALA 28 HA ALA 28 -3.030 9.110 4.010 214 HB1 ALA 28 HB1 ALA 28 -2.462 10.632 2.187 215 HB2 ALA 28 HB2 ALA 28 -4.008 9.837 1.890 216 HB3 ALA 28 HB3 ALA 28 -2.561 9.302 1.036 217 H MET 29 HN MET 29 -1.844 6.831 1.585 218 HA MET 29 HA MET 29 -4.225 5.387 1.206 219 HB2 MET 29 HB2 MET 29 -2.278 5.198 -0.286 220 HB3 MET 29 HB1 MET 29 -1.363 4.430 1.002 221 HG2 MET 29 HG2 MET 29 -3.318 2.701 0.971 222 HG3 MET 29 HG1 MET 29 -3.593 3.343 -0.648 223 HE1 MET 29 HE1 MET 29 0.169 1.089 0.774 224 HE2 MET 29 HE2 MET 29 -1.309 1.318 1.712 225 HE3 MET 29 HE3 MET 29 -0.237 2.683 1.410 226 H LEU 30 HN LEU 30 -1.529 4.895 3.468 227 HA LEU 30 HA LEU 30 -2.531 2.520 4.622 228 HB2 LEU 30 HB2 LEU 30 -0.195 3.262 4.833 229 HB3 LEU 30 HB1 LEU 30 -0.712 4.604 5.837 230 HG LEU 30 HG LEU 30 -1.475 3.028 7.564 231 HD11 LEU 30 HD11 LEU 30 -0.895 0.644 7.363 232 HD12 LEU 30 HD12 LEU 30 -0.402 0.919 5.694 233 HD13 LEU 30 HD13 LEU 30 -2.085 1.147 6.166 234 HD21 LEU 30 HD21 LEU 30 0.861 3.890 7.522 235 HD22 LEU 30 HD22 LEU 30 1.345 2.408 6.697 236 HD23 LEU 30 HD23 LEU 30 0.686 2.335 8.332 237 H SER 31 HN SER 31 -2.920 5.931 5.496 238 HA SER 31 HA SER 31 -4.294 5.543 7.911 239 HB2 SER 31 HB2 SER 31 -4.473 7.809 5.912 240 HB3 SER 31 HB1 SER 31 -5.148 7.863 7.541 241 HG SER 31 HG SER 31 -2.466 7.884 6.705 242 H LEU 32 HN LEU 32 -5.407 5.656 4.573 243 HA LEU 32 HA LEU 32 -8.178 5.668 5.095 244 HB2 LEU 32 HB2 LEU 32 -6.926 6.112 2.896 245 HB3 LEU 32 HB1 LEU 32 -6.873 4.373 2.711 246 HG LEU 32 HG LEU 32 -8.731 5.758 1.520 247 HD11 LEU 32 HD11 LEU 32 -8.701 3.401 1.340 248 HD12 LEU 32 HD12 LEU 32 -10.332 3.852 1.830 249 HD13 LEU 32 HD13 LEU 32 -9.206 3.193 3.018 250 HD21 LEU 32 HD21 LEU 32 -10.035 5.367 4.206 251 HD22 LEU 32 HD22 LEU 32 -10.746 6.096 2.764 252 HD23 LEU 32 HD23 LEU 32 -9.430 6.912 3.607 253 H LEU 33 HN LEU 33 -5.868 3.037 4.549 254 HA LEU 33 HA LEU 33 -7.697 0.908 4.633 255 HB2 LEU 33 HB2 LEU 33 -4.765 0.992 5.330 256 HB3 LEU 33 HB1 LEU 33 -5.694 -0.485 5.155 257 HG LEU 33 HG LEU 33 -5.226 1.539 2.965 258 HD11 LEU 33 HD11 LEU 33 -3.803 -0.229 1.988 259 HD12 LEU 33 HD12 LEU 33 -3.978 -1.155 3.478 260 HD13 LEU 33 HD13 LEU 33 -3.169 0.411 3.502 261 HD21 LEU 33 HD21 LEU 33 -6.609 -1.134 3.009 262 HD22 LEU 33 HD22 LEU 33 -6.127 -0.300 1.530 263 HD23 LEU 33 HD23 LEU 33 -7.310 0.435 2.611 264 H GLN 34 HN GLN 34 -5.948 2.582 7.186 265 HA GLN 34 HA GLN 34 -6.657 0.740 9.250 266 HB2 GLN 34 HB2 GLN 34 -5.305 3.371 9.091 267 HB3 GLN 34 HB1 GLN 34 -6.070 2.980 10.624 268 HG2 GLN 34 HG2 GLN 34 -4.719 1.086 10.935 269 HG3 GLN 34 HG1 GLN 34 -4.169 1.107 9.258 270 HE21 GLN 34 HE21 GLN 34 -2.684 1.193 11.819 271 HE22 GLN 34 HE22 GLN 34 -1.687 2.601 11.715 272 H LYS 35 HN LYS 35 -7.978 3.855 8.144 273 HA LYS 35 HA LYS 35 -9.915 3.972 10.240 274 HB2 LYS 35 HB2 LYS 35 -10.697 5.946 9.268 275 HB3 LYS 35 HB1 LYS 35 -8.983 5.935 8.893 276 HG2 LYS 35 HG2 LYS 35 -9.536 5.061 6.640 277 HG3 LYS 35 HG1 LYS 35 -11.246 5.237 7.036 278 HD2 LYS 35 HD2 LYS 35 -9.192 7.442 6.935 279 HD3 LYS 35 HD1 LYS 35 -10.471 7.154 5.755 280 HE2 LYS 35 HE2 LYS 35 -12.135 7.520 7.575 281 HE3 LYS 35 HE1 LYS 35 -10.801 7.955 8.642 282 HZ1 LYS 35 HZ1 LYS 35 -11.684 9.372 6.197 283 HZ2 LYS 35 HZ2 LYS 35 -10.225 9.709 6.987 284 HZ3 LYS 35 HZ3 LYS 35 -11.693 9.945 7.788 285 H GLU 36 HN GLU 36 -9.784 2.386 7.186 286 HA GLU 36 HA GLU 36 -12.627 2.080 6.892 287 HB2 GLU 36 HB2 GLU 36 -10.218 0.950 5.503 288 HB3 GLU 36 HB1 GLU 36 -11.792 0.205 5.254 289 HG2 GLU 36 HG2 GLU 36 -11.122 3.092 4.736 290 HG3 GLU 36 HG1 GLU 36 -11.245 1.831 3.511 291 H GLY 37 HN GLY 37 -10.225 0.635 8.802 292 HA2 GLY 37 HA2 GLY 37 -10.539 -0.947 10.489 293 HA3 GLY 37 HA1 GLY 37 -12.128 -1.294 9.828 294 H LEU 38 HN LEU 38 -9.806 -1.326 7.424 295 HA LEU 38 HA LEU 38 -10.033 -4.169 7.101 296 HB2 LEU 38 HB2 LEU 38 -8.473 -2.074 5.589 297 HB3 LEU 38 HB1 LEU 38 -8.499 -3.772 5.148 298 HG LEU 38 HG LEU 38 -11.013 -2.132 5.339 299 HD11 LEU 38 HD11 LEU 38 -9.135 -2.486 3.021 300 HD12 LEU 38 HD12 LEU 38 -9.741 -0.984 3.723 301 HD13 LEU 38 HD13 LEU 38 -10.832 -2.041 2.830 302 HD21 LEU 38 HD21 LEU 38 -11.381 -4.506 5.376 303 HD22 LEU 38 HD22 LEU 38 -10.314 -4.736 3.990 304 HD23 LEU 38 HD23 LEU 38 -11.845 -3.882 3.792 305 H LEU 39 HN LEU 39 -7.622 -1.904 8.201 306 HA LEU 39 HA LEU 39 -5.917 -4.163 9.008 307 HB2 LEU 39 HB2 LEU 39 -4.998 -1.443 8.059 308 HB3 LEU 39 HB1 LEU 39 -3.954 -2.699 8.693 309 HG LEU 39 HG LEU 39 -5.544 -2.824 6.133 310 HD11 LEU 39 HD11 LEU 39 -2.579 -2.766 6.619 311 HD12 LEU 39 HD12 LEU 39 -3.548 -1.403 6.059 312 HD13 LEU 39 HD13 LEU 39 -3.381 -2.845 5.054 313 HD21 LEU 39 HD21 LEU 39 -5.524 -5.042 6.507 314 HD22 LEU 39 HD22 LEU 39 -4.294 -4.921 7.763 315 HD23 LEU 39 HD23 LEU 39 -3.822 -4.928 6.062 316 H MET 40 HN MET 40 -4.626 -3.734 10.945 317 HA MET 40 HA MET 40 -5.971 -1.760 12.682 318 HB2 MET 40 HB2 MET 40 -6.418 -4.167 13.220 319 HB3 MET 40 HB1 MET 40 -4.699 -4.362 13.536 320 HG2 MET 40 HG2 MET 40 -4.848 -2.690 15.317 321 HG3 MET 40 HG1 MET 40 -6.576 -2.533 15.015 322 HE1 MET 40 HE1 MET 40 -4.489 -6.254 16.755 323 HE2 MET 40 HE2 MET 40 -3.684 -4.794 16.177 324 HE3 MET 40 HE3 MET 40 -4.406 -5.918 15.026 325 H SER 41 HN SER 41 -2.947 -3.162 11.658 326 HA SER 41 HA SER 41 -1.519 -1.101 13.210 327 HB2 SER 41 HB2 SER 41 0.089 -3.426 12.478 328 HB3 SER 41 HB1 SER 41 -0.126 -2.664 14.054 329 HG SER 41 HG SER 41 -1.982 -4.449 12.830 330 HA PRO 42 HA PRO 42 0.213 0.231 9.342 331 HB2 PRO 42 HB2 PRO 42 2.686 1.077 10.113 332 HB3 PRO 42 HB1 PRO 42 1.203 1.973 10.493 333 HG2 PRO 42 HG2 PRO 42 2.792 0.145 12.219 334 HG3 PRO 42 HG1 PRO 42 2.020 1.691 12.620 335 HD2 PRO 42 HD2 PRO 42 0.924 -0.698 13.275 336 HD3 PRO 42 HD1 PRO 42 -0.048 0.742 12.912 337 H SER 43 HN SER 43 1.557 -2.323 11.128 338 HA SER 43 HA SER 43 3.470 -3.060 9.045 339 HB2 SER 43 HB2 SER 43 3.568 -4.992 11.037 340 HB3 SER 43 HB1 SER 43 4.641 -3.596 10.898 341 HG SER 43 HG SER 43 3.039 -4.106 12.868 342 H ASP 44 HN ASP 44 0.302 -3.379 9.382 343 HA ASP 44 HA ASP 44 -0.186 -6.170 9.183 344 HB2 ASP 44 HB2 ASP 44 -1.736 -3.696 8.978 345 HB3 ASP 44 HB1 ASP 44 -2.318 -4.976 7.922 346 H LEU 45 HN LEU 45 0.884 -3.820 6.938 347 HA LEU 45 HA LEU 45 -0.054 -4.916 4.528 348 HB2 LEU 45 HB2 LEU 45 1.598 -2.781 5.330 349 HB3 LEU 45 HB1 LEU 45 2.547 -3.728 4.203 350 HG LEU 45 HG LEU 45 1.454 -1.992 2.980 351 HD11 LEU 45 HD11 LEU 45 0.375 -3.217 1.297 352 HD12 LEU 45 HD12 LEU 45 -0.193 -4.440 2.433 353 HD13 LEU 45 HD13 LEU 45 1.521 -4.338 2.031 354 HD21 LEU 45 HD21 LEU 45 -0.315 -1.485 4.580 355 HD22 LEU 45 HD22 LEU 45 -1.141 -2.983 4.154 356 HD23 LEU 45 HD23 LEU 45 -0.962 -1.703 2.955 357 H TYR 46 HN TYR 46 2.420 -6.005 6.659 358 HA TYR 46 HA TYR 46 3.947 -7.412 4.672 359 HB2 TYR 46 HB2 TYR 46 3.960 -7.842 7.660 360 HB3 TYR 46 HB1 TYR 46 5.204 -8.330 6.516 361 HD1 TYR 46 HD1 TYR 46 5.260 -5.715 4.909 362 HD2 TYR 46 HD2 TYR 46 5.274 -6.511 9.090 363 HE1 TYR 46 HE1 TYR 46 6.428 -3.589 5.308 364 HE2 TYR 46 HE2 TYR 46 6.438 -4.390 9.496 365 HH TYR 46 HH TYR 46 8.056 -2.849 7.948 366 H SER 47 HN SER 47 1.002 -8.012 6.240 367 HA SER 47 HA SER 47 1.202 -10.879 6.282 368 HB2 SER 47 HB2 SER 47 -1.360 -9.297 6.406 369 HB3 SER 47 HB1 SER 47 -1.001 -10.864 7.135 370 HG SER 47 HG SER 47 -0.959 -8.826 8.491 371 HA PRO 48 HA PRO 48 0.358 -11.060 1.864 372 HB2 PRO 48 HB2 PRO 48 0.706 -13.747 1.634 373 HB3 PRO 48 HB1 PRO 48 2.060 -12.608 1.725 374 HG2 PRO 48 HG2 PRO 48 0.899 -14.327 3.855 375 HG3 PRO 48 HG1 PRO 48 2.597 -13.957 3.501 376 HD2 PRO 48 HD2 PRO 48 1.214 -12.750 5.496 377 HD3 PRO 48 HD1 PRO 48 2.533 -11.953 4.616 378 H GLY 49 HN GLY 49 -1.268 -12.783 4.415 379 HA2 GLY 49 HA2 GLY 49 -3.348 -13.757 2.629 380 HA3 GLY 49 HA1 GLY 49 -3.237 -14.052 4.354 381 H SER 50 HN SER 50 -2.853 -10.778 3.408 382 HA SER 50 HA SER 50 -5.692 -10.254 3.961 383 HB2 SER 50 HB2 SER 50 -3.372 -8.680 5.096 384 HB3 SER 50 HB1 SER 50 -5.084 -8.375 5.388 385 HG SER 50 HG SER 50 -4.726 -10.881 6.000 386 H TRP 51 HN TRP 51 -3.536 -10.136 1.632 387 HA TRP 51 HA TRP 51 -3.706 -7.387 0.795 388 HB2 TRP 51 HB2 TRP 51 -2.733 -9.868 -0.635 389 HB3 TRP 51 HB1 TRP 51 -2.646 -8.247 -1.313 390 HD1 TRP 51 HD1 TRP 51 -1.748 -7.006 1.665 391 HE1 TRP 51 HE1 TRP 51 0.731 -7.266 2.312 392 HE3 TRP 51 HE3 TRP 51 -0.487 -10.788 -1.529 393 HZ2 TRP 51 HZ2 TRP 51 2.932 -8.868 1.551 394 HZ3 TRP 51 HZ3 TRP 51 1.828 -11.622 -1.510 395 HH2 TRP 51 HH2 TRP 51 3.498 -10.678 -0.002 396 H ASP 52 HN ASP 52 -5.327 -10.408 0.018 397 HA ASP 52 HA ASP 52 -6.713 -9.507 -2.257 398 HB2 ASP 52 HB2 ASP 52 -6.472 -11.890 -1.683 399 HB3 ASP 52 HB1 ASP 52 -7.580 -11.672 -0.337 400 HA PRO 53 HA PRO 53 -10.509 -8.585 0.731 401 HB2 PRO 53 HB2 PRO 53 -8.966 -7.740 3.136 402 HB3 PRO 53 HB1 PRO 53 -10.502 -8.620 3.032 403 HG2 PRO 53 HG2 PRO 53 -8.284 -9.875 3.718 404 HG3 PRO 53 HG1 PRO 53 -9.490 -10.645 2.667 405 HD2 PRO 53 HD2 PRO 53 -6.866 -9.423 1.945 406 HD3 PRO 53 HD1 PRO 53 -7.648 -10.878 1.305 407 H ILE 54 HN ILE 54 -7.446 -6.879 1.342 408 HA ILE 54 HA ILE 54 -8.529 -4.283 1.403 409 HB ILE 54 HB ILE 54 -5.744 -5.192 0.669 410 HG12 ILE 54 HG12 ILE 54 -6.800 -3.959 3.221 411 HG13 ILE 54 HG11 ILE 54 -6.555 -5.686 2.985 412 HG21 ILE 54 HG21 ILE 54 -6.142 -3.013 -0.296 413 HG22 ILE 54 HG22 ILE 54 -5.070 -2.859 1.097 414 HG23 ILE 54 HG23 ILE 54 -6.772 -2.416 1.242 415 HD11 ILE 54 HD11 ILE 54 -4.182 -5.336 2.700 416 HD12 ILE 54 HD12 ILE 54 -4.727 -4.636 4.222 417 HD13 ILE 54 HD13 ILE 54 -4.398 -3.591 2.841 418 H THR 55 HN THR 55 -7.045 -6.124 -1.239 419 HA THR 55 HA THR 55 -7.297 -4.155 -3.226 420 HB THR 55 HB THR 55 -7.366 -7.145 -3.662 421 HG1 THR 55 HG1 THR 55 -5.526 -6.705 -2.477 422 HG21 THR 55 HG21 THR 55 -6.358 -6.612 -5.825 423 HG22 THR 55 HG22 THR 55 -6.427 -4.891 -5.440 424 HG23 THR 55 HG23 THR 55 -7.919 -5.810 -5.647 425 H ALA 56 HN ALA 56 -9.485 -6.750 -2.214 426 HA ALA 56 HA ALA 56 -11.436 -6.368 -4.217 427 HB1 ALA 56 HB1 ALA 56 -11.731 -7.477 -1.429 428 HB2 ALA 56 HB2 ALA 56 -11.347 -8.393 -2.887 429 HB3 ALA 56 HB3 ALA 56 -12.927 -7.624 -2.718 430 H ALA 57 HN ALA 57 -11.154 -5.073 -0.917 431 HA ALA 57 HA ALA 57 -13.574 -3.620 -0.950 432 HB1 ALA 57 HB1 ALA 57 -11.071 -3.152 0.667 433 HB2 ALA 57 HB2 ALA 57 -12.443 -4.162 1.126 434 HB3 ALA 57 HB3 ALA 57 -12.642 -2.415 0.982 435 H LEU 58 HN LEU 58 -10.236 -2.661 -1.711 436 HA LEU 58 HA LEU 58 -10.816 0.057 -2.179 437 HB2 LEU 58 HB2 LEU 58 -8.541 -1.634 -2.308 438 HB3 LEU 58 HB1 LEU 58 -8.656 -0.792 -3.842 439 HG LEU 58 HG LEU 58 -8.658 0.579 -1.151 440 HD11 LEU 58 HD11 LEU 58 -6.517 -0.480 -1.511 441 HD12 LEU 58 HD12 LEU 58 -6.368 1.263 -1.732 442 HD13 LEU 58 HD13 LEU 58 -6.423 0.197 -3.135 443 HD21 LEU 58 HD21 LEU 58 -8.210 1.769 -3.876 444 HD22 LEU 58 HD22 LEU 58 -8.457 2.612 -2.346 445 HD23 LEU 58 HD23 LEU 58 -9.786 1.726 -3.091 446 H SER 59 HN SER 59 -10.671 -2.747 -4.344 447 HA SER 59 HA SER 59 -11.144 -1.360 -6.738 448 HB2 SER 59 HB2 SER 59 -10.410 -3.785 -6.457 449 HB3 SER 59 HB1 SER 59 -12.102 -4.163 -6.146 450 HG SER 59 HG SER 59 -11.851 -2.655 -8.384 451 H GLN 60 HN GLN 60 -13.319 -2.740 -4.327 452 HA GLN 60 HA GLN 60 -15.738 -2.341 -5.690 453 HB2 GLN 60 HB2 GLN 60 -15.385 -3.705 -3.600 454 HB3 GLN 60 HB1 GLN 60 -15.314 -2.197 -2.700 455 HG2 GLN 60 HG2 GLN 60 -17.592 -1.677 -3.342 456 HG3 GLN 60 HG1 GLN 60 -17.667 -3.138 -4.324 457 HE21 GLN 60 HE21 GLN 60 -16.164 -2.843 -1.158 458 HE22 GLN 60 HE22 GLN 60 -17.256 -3.903 -0.342 459 H ARG 61 HN ARG 61 -14.103 -0.302 -3.270 460 HA ARG 61 HA ARG 61 -15.947 1.821 -3.385 461 HB2 ARG 61 HB2 ARG 61 -14.255 1.467 -1.574 462 HB3 ARG 61 HB1 ARG 61 -13.007 2.010 -2.689 463 HG2 ARG 61 HG2 ARG 61 -13.924 4.206 -2.776 464 HG3 ARG 61 HG1 ARG 61 -15.384 3.692 -1.929 465 HD2 ARG 61 HD2 ARG 61 -14.391 4.380 -0.055 466 HD3 ARG 61 HD1 ARG 61 -13.338 2.976 -0.211 467 HE ARG 61 HE ARG 61 -11.918 4.604 -1.625 468 HH11 ARG 61 HH11 ARG 61 -13.797 5.460 1.198 469 HH12 ARG 61 HH12 ARG 61 -12.777 6.792 1.643 470 HH21 ARG 61 HH21 ARG 61 -10.541 6.338 -1.047 471 HH22 ARG 61 HH22 ARG 61 -10.910 7.289 0.357 472 H ALA 62 HN ALA 62 -12.995 1.168 -5.201 473 HA ALA 62 HA ALA 62 -12.853 3.659 -6.514 474 HB1 ALA 62 HB1 ALA 62 -11.818 1.050 -7.582 475 HB2 ALA 62 HB2 ALA 62 -11.009 1.976 -6.319 476 HB3 ALA 62 HB3 ALA 62 -11.222 2.677 -7.925 477 H MET 63 HN MET 63 -14.447 0.607 -7.411 478 HA MET 63 HA MET 63 -15.226 1.663 -9.979 479 HB2 MET 63 HB2 MET 63 -16.174 -0.436 -10.450 480 HB3 MET 63 HB1 MET 63 -14.737 -0.782 -9.503 481 HG2 MET 63 HG2 MET 63 -16.083 -1.170 -7.535 482 HG3 MET 63 HG1 MET 63 -17.540 -0.705 -8.410 483 HE1 MET 63 HE1 MET 63 -15.091 -4.535 -9.178 484 HE2 MET 63 HE2 MET 63 -14.711 -3.316 -7.962 485 HE3 MET 63 HE3 MET 63 -14.499 -2.951 -9.674 486 H ILE 64 HN ILE 64 -16.630 1.581 -6.804 487 HA ILE 64 HA ILE 64 -19.277 2.184 -7.866 488 HB ILE 64 HB ILE 64 -18.316 1.871 -5.021 489 HG12 ILE 64 HG12 ILE 64 -20.144 0.175 -6.739 490 HG13 ILE 64 HG11 ILE 64 -18.470 -0.202 -6.351 491 HG21 ILE 64 HG21 ILE 64 -20.677 2.011 -4.370 492 HG22 ILE 64 HG22 ILE 64 -21.108 2.414 -6.032 493 HG23 ILE 64 HG23 ILE 64 -20.106 3.517 -5.088 494 HD11 ILE 64 HD11 ILE 64 -20.776 -0.048 -4.425 495 HD12 ILE 64 HD12 ILE 64 -19.096 -0.310 -3.963 496 HD13 ILE 64 HD13 ILE 64 -19.931 -1.499 -4.961 497 H LEU 65 HN LEU 65 -16.914 3.759 -5.700 498 HA LEU 65 HA LEU 65 -18.365 6.229 -5.689 499 HB2 LEU 65 HB2 LEU 65 -16.782 5.330 -3.886 500 HB3 LEU 65 HB1 LEU 65 -15.479 5.880 -4.919 501 HG LEU 65 HG LEU 65 -16.313 8.187 -4.757 502 HD11 LEU 65 HD11 LEU 65 -18.378 6.972 -2.927 503 HD12 LEU 65 HD12 LEU 65 -18.661 7.819 -4.447 504 HD13 LEU 65 HD13 LEU 65 -18.043 8.697 -3.050 505 HD21 LEU 65 HD21 LEU 65 -15.916 6.845 -2.084 506 HD22 LEU 65 HD22 LEU 65 -15.716 8.565 -2.420 507 HD23 LEU 65 HD23 LEU 65 -14.638 7.389 -3.172 508 H GLY 66 HN GLY 66 -15.581 4.956 -7.433 509 HA2 GLY 66 HA2 GLY 66 -15.310 5.688 -9.740 510 HA3 GLY 66 HA1 GLY 66 -15.780 7.297 -9.220 511 H LYS 67 HN LYS 67 -14.140 7.485 -6.919 512 HA LYS 67 HA LYS 67 -11.692 8.199 -8.222 513 HB2 LYS 67 HB2 LYS 67 -10.998 8.956 -5.927 514 HB3 LYS 67 HB1 LYS 67 -12.450 9.711 -6.566 515 HG2 LYS 67 HG2 LYS 67 -13.832 8.631 -5.066 516 HG3 LYS 67 HG1 LYS 67 -12.677 7.327 -4.781 517 HD2 LYS 67 HD2 LYS 67 -12.809 8.796 -2.844 518 HD3 LYS 67 HD1 LYS 67 -11.215 8.892 -3.591 519 HE2 LYS 67 HE2 LYS 67 -12.286 10.900 -4.887 520 HE3 LYS 67 HE1 LYS 67 -13.411 10.907 -3.532 521 HZ1 LYS 67 HZ1 LYS 67 -11.651 12.384 -3.020 522 HZ2 LYS 67 HZ2 LYS 67 -10.469 11.248 -3.430 523 HZ3 LYS 67 HZ3 LYS 67 -11.425 11.015 -2.057 524 H SER 68 HN SER 68 -10.012 6.961 -8.531 525 HA SER 68 HA SER 68 -9.636 4.598 -6.815 526 HB2 SER 68 HB2 SER 68 -7.994 4.382 -9.093 527 HB3 SER 68 HB1 SER 68 -9.494 3.509 -8.779 528 HG SER 68 HG SER 68 -10.594 4.906 -10.012 529 H GLY 69 HN GLY 69 -8.765 7.316 -6.147 530 HA2 GLY 69 HA2 GLY 69 -6.094 7.856 -6.652 531 HA3 GLY 69 HA1 GLY 69 -6.941 8.334 -5.191 532 H GLU 70 HN GLU 70 -7.341 6.230 -3.737 533 HA GLU 70 HA GLU 70 -4.788 5.508 -2.778 534 HB2 GLU 70 HB2 GLU 70 -7.512 4.361 -2.170 535 HB3 GLU 70 HB1 GLU 70 -6.051 3.945 -1.293 536 HG2 GLU 70 HG2 GLU 70 -6.854 5.543 0.090 537 HG3 GLU 70 HG1 GLU 70 -5.917 6.567 -0.996 538 H LEU 71 HN LEU 71 -6.924 4.019 -5.060 539 HA LEU 71 HA LEU 71 -5.968 1.372 -4.922 540 HB2 LEU 71 HB2 LEU 71 -8.074 2.046 -6.028 541 HB3 LEU 71 HB1 LEU 71 -7.143 2.820 -7.294 542 HG LEU 71 HG LEU 71 -6.311 0.083 -7.030 543 HD11 LEU 71 HD11 LEU 71 -8.408 -0.981 -7.763 544 HD12 LEU 71 HD12 LEU 71 -9.263 0.526 -7.437 545 HD13 LEU 71 HD13 LEU 71 -8.502 -0.361 -6.116 546 HD21 LEU 71 HD21 LEU 71 -7.634 1.707 -9.193 547 HD22 LEU 71 HD22 LEU 71 -7.066 0.054 -9.417 548 HD23 LEU 71 HD23 LEU 71 -5.918 1.334 -9.021 549 H LYS 72 HN LYS 72 -4.883 4.201 -6.712 550 HA LYS 72 HA LYS 72 -3.074 2.906 -8.435 551 HB2 LYS 72 HB2 LYS 72 -2.930 5.696 -7.281 552 HB3 LYS 72 HB1 LYS 72 -1.984 5.111 -8.642 553 HG2 LYS 72 HG2 LYS 72 -4.156 4.678 -9.832 554 HG3 LYS 72 HG1 LYS 72 -4.957 5.538 -8.514 555 HD2 LYS 72 HD2 LYS 72 -2.795 6.672 -10.295 556 HD3 LYS 72 HD1 LYS 72 -4.521 7.006 -10.434 557 HE2 LYS 72 HE2 LYS 72 -4.558 8.106 -8.318 558 HE3 LYS 72 HE1 LYS 72 -2.918 7.578 -7.952 559 HZ1 LYS 72 HZ1 LYS 72 -3.031 9.906 -8.663 560 HZ2 LYS 72 HZ2 LYS 72 -3.640 9.416 -10.165 561 HZ3 LYS 72 HZ3 LYS 72 -2.076 8.968 -9.698 562 H THR 73 HN THR 73 -2.567 4.480 -5.295 563 HA THR 73 HA THR 73 0.171 3.888 -5.077 564 HB THR 73 HB THR 73 -1.744 4.259 -2.769 565 HG1 THR 73 HG1 THR 73 -0.349 6.325 -4.137 566 HG21 THR 73 HG21 THR 73 1.169 5.008 -3.070 567 HG22 THR 73 HG22 THR 73 0.585 3.574 -2.227 568 HG23 THR 73 HG23 THR 73 0.178 5.180 -1.620 569 H TRP 74 HN TRP 74 -2.714 2.169 -3.946 570 HA TRP 74 HA TRP 74 -1.423 0.147 -2.500 571 HB2 TRP 74 HB2 TRP 74 -3.785 0.417 -2.250 572 HB3 TRP 74 HB1 TRP 74 -4.059 0.167 -3.971 573 HD1 TRP 74 HD1 TRP 74 -4.773 -2.214 -4.632 574 HE1 TRP 74 HE1 TRP 74 -4.697 -4.543 -3.525 575 HE3 TRP 74 HE3 TRP 74 -2.168 -1.012 -0.394 576 HZ2 TRP 74 HZ2 TRP 74 -3.674 -5.701 -1.171 577 HZ3 TRP 74 HZ3 TRP 74 -1.692 -2.792 1.233 578 HH2 TRP 74 HH2 TRP 74 -2.426 -5.084 0.852 579 H GLY 75 HN GLY 75 -2.469 0.217 -5.902 580 HA2 GLY 75 HA2 GLY 75 -1.683 -2.355 -6.636 581 HA3 GLY 75 HA1 GLY 75 -1.758 -0.981 -7.728 582 H LEU 76 HN LEU 76 0.250 0.570 -6.354 583 HA LEU 76 HA LEU 76 2.564 -0.531 -7.612 584 HB2 LEU 76 HB2 LEU 76 2.262 1.839 -5.769 585 HB3 LEU 76 HB1 LEU 76 3.720 1.444 -6.661 586 HG LEU 76 HG LEU 76 1.069 2.086 -7.955 587 HD11 LEU 76 HD11 LEU 76 1.896 4.038 -6.782 588 HD12 LEU 76 HD12 LEU 76 2.099 4.248 -8.522 589 HD13 LEU 76 HD13 LEU 76 3.486 3.836 -7.515 590 HD21 LEU 76 HD21 LEU 76 2.492 0.697 -9.336 591 HD22 LEU 76 HD22 LEU 76 3.854 1.783 -9.071 592 HD23 LEU 76 HD23 LEU 76 2.450 2.338 -9.982 593 H VAL 77 HN VAL 77 1.623 0.027 -4.231 594 HA VAL 77 HA VAL 77 3.971 -1.053 -3.082 595 HB VAL 77 HB VAL 77 1.192 -0.856 -1.893 596 HG11 VAL 77 HG11 VAL 77 3.847 -1.252 -0.505 597 HG12 VAL 77 HG12 VAL 77 2.593 -2.478 -0.691 598 HG13 VAL 77 HG13 VAL 77 2.282 -1.043 0.284 599 HG21 VAL 77 HG21 VAL 77 2.038 1.176 -0.811 600 HG22 VAL 77 HG22 VAL 77 2.080 1.314 -2.569 601 HG23 VAL 77 HG23 VAL 77 3.567 0.997 -1.672 602 H LEU 78 HN LEU 78 0.870 -2.444 -3.978 603 HA LEU 78 HA LEU 78 1.154 -4.994 -2.875 604 HB2 LEU 78 HB2 LEU 78 -0.959 -4.171 -3.763 605 HB3 LEU 78 HB1 LEU 78 -0.284 -4.099 -5.378 606 HG LEU 78 HG LEU 78 0.067 -6.673 -5.049 607 HD11 LEU 78 HD11 LEU 78 -2.369 -6.423 -3.350 608 HD12 LEU 78 HD12 LEU 78 -0.778 -6.336 -2.598 609 HD13 LEU 78 HD13 LEU 78 -1.242 -7.768 -3.513 610 HD21 LEU 78 HD21 LEU 78 -2.125 -7.076 -6.031 611 HD22 LEU 78 HD22 LEU 78 -1.387 -5.631 -6.719 612 HD23 LEU 78 HD23 LEU 78 -2.662 -5.478 -5.511 613 H GLY 79 HN GLY 79 1.962 -3.826 -6.139 614 HA2 GLY 79 HA2 GLY 79 2.966 -6.254 -7.129 615 HA3 GLY 79 HA1 GLY 79 3.372 -4.661 -7.742 616 H ALA 80 HN ALA 80 4.602 -3.613 -5.439 617 HA ALA 80 HA ALA 80 7.226 -4.606 -5.766 618 HB1 ALA 80 HB1 ALA 80 6.187 -2.841 -3.556 619 HB2 ALA 80 HB2 ALA 80 6.671 -2.273 -5.154 620 HB3 ALA 80 HB3 ALA 80 7.863 -3.008 -4.079 621 H LEU 81 HN LEU 81 4.850 -4.971 -3.143 622 HA LEU 81 HA LEU 81 6.590 -6.499 -1.485 623 HB2 LEU 81 HB2 LEU 81 3.787 -5.636 -1.415 624 HB3 LEU 81 HB1 LEU 81 4.084 -7.176 -0.630 625 HG LEU 81 HG LEU 81 5.624 -4.668 0.012 626 HD11 LEU 81 HD11 LEU 81 3.244 -5.857 1.422 627 HD12 LEU 81 HD12 LEU 81 3.271 -4.336 0.532 628 HD13 LEU 81 HD13 LEU 81 4.222 -4.511 2.008 629 HD21 LEU 81 HD21 LEU 81 6.757 -6.762 0.564 630 HD22 LEU 81 HD22 LEU 81 5.339 -7.295 1.466 631 HD23 LEU 81 HD23 LEU 81 6.263 -5.899 2.021 632 H LYS 82 HN LYS 82 4.269 -7.308 -3.992 633 HA LYS 82 HA LYS 82 4.052 -10.062 -3.487 634 HB2 LYS 82 HB2 LYS 82 3.680 -8.337 -5.897 635 HB3 LYS 82 HB1 LYS 82 3.763 -10.076 -6.126 636 HG2 LYS 82 HG2 LYS 82 1.935 -10.293 -4.426 637 HG3 LYS 82 HG1 LYS 82 1.777 -8.534 -4.487 638 HD2 LYS 82 HD2 LYS 82 1.298 -8.646 -6.869 639 HD3 LYS 82 HD1 LYS 82 1.518 -10.397 -6.846 640 HE2 LYS 82 HE2 LYS 82 -0.355 -10.522 -5.192 641 HE3 LYS 82 HE1 LYS 82 -0.633 -8.803 -5.468 642 HZ1 LYS 82 HZ1 LYS 82 -0.954 -9.324 -7.842 643 HZ2 LYS 82 HZ2 LYS 82 -2.107 -10.058 -6.847 644 HZ3 LYS 82 HZ3 LYS 82 -0.832 -10.972 -7.481 645 H ALA 83 HN ALA 83 6.313 -8.228 -5.491 646 HA ALA 83 HA ALA 83 7.807 -10.464 -6.388 647 HB1 ALA 83 HB1 ALA 83 8.628 -7.563 -6.167 648 HB2 ALA 83 HB2 ALA 83 7.857 -8.325 -7.559 649 HB3 ALA 83 HB3 ALA 83 9.483 -8.809 -7.074 650 H ALA 84 HN ALA 84 8.030 -8.352 -3.593 651 HA ALA 84 HA ALA 84 10.565 -9.145 -2.676 652 HB1 ALA 84 HB1 ALA 84 8.199 -8.190 -1.065 653 HB2 ALA 84 HB2 ALA 84 9.422 -7.167 -1.821 654 HB3 ALA 84 HB3 ALA 84 9.870 -8.254 -0.507 655 H ARG 85 HN ARG 85 7.399 -10.586 -2.359 656 HA ARG 85 HA ARG 85 8.475 -12.672 -0.598 657 HB2 ARG 85 HB2 ARG 85 5.674 -11.824 -1.298 658 HB3 ARG 85 HB1 ARG 85 5.997 -13.388 -0.564 659 HG2 ARG 85 HG2 ARG 85 7.359 -11.764 1.112 660 HG3 ARG 85 HG1 ARG 85 6.042 -10.701 0.614 661 HD2 ARG 85 HD2 ARG 85 4.408 -12.357 1.296 662 HD3 ARG 85 HD1 ARG 85 5.696 -13.492 1.705 663 HE ARG 85 HE ARG 85 5.628 -10.914 3.085 664 HH11 ARG 85 HH11 ARG 85 5.126 -14.445 4.923 665 HH12 ARG 85 HH12 ARG 85 5.150 -14.380 3.193 666 HH21 ARG 85 HH21 ARG 85 5.388 -12.535 6.152 667 HH22 ARG 85 HH22 ARG 85 5.605 -11.010 5.355 668 H GLU 86 HN GLU 86 8.870 -12.295 -3.604 669 HA GLU 86 HA GLU 86 7.890 -14.948 -4.433 670 HB2 GLU 86 HB2 GLU 86 7.146 -12.802 -5.688 671 HB3 GLU 86 HB1 GLU 86 8.773 -12.807 -6.351 672 HG2 GLU 86 HG2 GLU 86 8.312 -15.176 -7.108 673 HG3 GLU 86 HG1 GLU 86 6.625 -14.871 -6.696 674 H GLU 87 HN GLU 87 10.556 -13.336 -3.403 675 HA GLU 87 HA GLU 87 12.428 -14.819 -5.097 676 HB2 GLU 87 HB2 GLU 87 12.698 -12.416 -3.325 677 HB3 GLU 87 HB1 GLU 87 14.116 -13.385 -3.701 678 HG2 GLU 87 HG2 GLU 87 13.530 -13.063 -6.137 679 HG3 GLU 87 HG1 GLU 87 12.367 -11.851 -5.595 680 H1 FGV 101 H1 IP3 1 12.809 11.016 -1.872 681 H2 FGV 101 H2 IP3 1 13.658 9.475 -0.159 682 H3 FGV 101 H3 IP3 1 12.450 11.466 0.593 683 H4 FGV 101 H4 IP3 1 9.947 9.707 0.585 684 H5 FGV 101 H5 IP3 1 10.671 12.163 -1.106 685 H6 FGV 101 H6 IP3 1 10.319 9.231 -1.940 686 H11 FGV 101 H11 IP3 1 15.969 8.849 -4.731 687 H12 FGV 101 H12 IP3 1 11.728 8.289 0.790 688 H14 FGV 101 H14 IP3 1 9.649 12.355 0.779 689 H16 FGV 101 H16 IP3 1 10.131 11.560 -3.191 Start of MODEL 13 1 H1 SER 1 HT1 SER 1 1.835 5.411 10.235 2 H2 SER 1 HT2 SER 1 3.263 4.729 9.653 3 H3 SER 1 HT3 SER 1 2.705 6.193 9.015 4 HA SER 1 HA SER 1 2.926 7.139 11.299 5 HB2 SER 1 HB2 SER 1 4.937 5.609 12.366 6 HB3 SER 1 HB1 SER 1 3.249 5.554 12.866 7 HG SER 1 HG SER 1 3.396 3.535 12.293 8 H GLU 2 HN GLU 2 6.006 5.508 10.907 9 HA GLU 2 HA GLU 2 6.939 7.505 9.017 10 HB2 GLU 2 HB2 GLU 2 8.854 8.121 10.577 11 HB3 GLU 2 HB1 GLU 2 7.275 8.802 10.936 12 HG2 GLU 2 HG2 GLU 2 6.940 7.189 12.700 13 HG3 GLU 2 HG1 GLU 2 8.457 6.390 12.293 14 H ALA 3 HN ALA 3 8.209 5.035 11.282 15 HA ALA 3 HA ALA 3 10.473 4.424 9.717 16 HB1 ALA 3 HB1 ALA 3 10.802 2.562 11.180 17 HB2 ALA 3 HB2 ALA 3 9.126 2.633 11.719 18 HB3 ALA 3 HB3 ALA 3 10.240 3.937 12.134 19 H VAL 4 HN VAL 4 7.331 2.775 9.990 20 HA VAL 4 HA VAL 4 7.908 0.639 8.270 21 HB VAL 4 HB VAL 4 5.184 1.913 8.554 22 HG11 VAL 4 HG11 VAL 4 6.018 -0.934 7.989 23 HG12 VAL 4 HG12 VAL 4 5.387 0.208 6.801 24 HG13 VAL 4 HG13 VAL 4 4.364 -0.342 8.128 25 HG21 VAL 4 HG21 VAL 4 4.830 0.351 10.434 26 HG22 VAL 4 HG22 VAL 4 6.077 1.547 10.779 27 HG23 VAL 4 HG23 VAL 4 6.531 -0.103 10.355 28 H ILE 5 HN ILE 5 6.803 3.911 7.591 29 HA ILE 5 HA ILE 5 6.169 3.535 4.876 30 HB ILE 5 HB ILE 5 7.173 6.077 6.170 31 HG12 ILE 5 HG12 ILE 5 4.350 5.021 5.859 32 HG13 ILE 5 HG11 ILE 5 5.230 5.204 7.375 33 HG21 ILE 5 HG21 ILE 5 5.884 7.179 4.353 34 HG22 ILE 5 HG22 ILE 5 5.618 5.594 3.631 35 HG23 ILE 5 HG23 ILE 5 7.255 6.234 3.771 36 HD11 ILE 5 HD11 ILE 5 3.714 7.017 7.203 37 HD12 ILE 5 HD12 ILE 5 4.230 7.378 5.556 38 HD13 ILE 5 HD13 ILE 5 5.328 7.662 6.907 39 H LYS 6 HN LYS 6 9.175 4.359 6.533 40 HA LYS 6 HA LYS 6 10.723 4.892 4.233 41 HB2 LYS 6 HB2 LYS 6 11.415 4.044 7.036 42 HB3 LYS 6 HB1 LYS 6 12.655 4.254 5.810 43 HG2 LYS 6 HG2 LYS 6 10.701 6.412 6.543 44 HG3 LYS 6 HG1 LYS 6 12.263 6.210 7.344 45 HD2 LYS 6 HD2 LYS 6 12.055 6.422 4.358 46 HD3 LYS 6 HD1 LYS 6 12.101 7.861 5.372 47 HE2 LYS 6 HE2 LYS 6 14.226 6.986 6.368 48 HE3 LYS 6 HE1 LYS 6 14.196 5.704 5.155 49 HZ1 LYS 6 HZ1 LYS 6 14.366 8.622 4.643 50 HZ2 LYS 6 HZ2 LYS 6 14.196 7.452 3.438 51 HZ3 LYS 6 HZ3 LYS 6 15.585 7.480 4.395 52 H VAL 7 HN VAL 7 10.187 1.959 6.135 53 HA VAL 7 HA VAL 7 11.937 0.251 4.786 54 HB VAL 7 HB VAL 7 9.282 -0.497 6.026 55 HG11 VAL 7 HG11 VAL 7 10.230 -2.709 6.299 56 HG12 VAL 7 HG12 VAL 7 11.733 -2.184 5.541 57 HG13 VAL 7 HG13 VAL 7 10.245 -2.251 4.597 58 HG21 VAL 7 HG21 VAL 7 10.602 0.695 7.637 59 HG22 VAL 7 HG22 VAL 7 12.023 -0.278 7.253 60 HG23 VAL 7 HG23 VAL 7 10.627 -1.022 8.034 61 H ILE 8 HN ILE 8 8.546 1.047 4.158 62 HA ILE 8 HA ILE 8 8.263 -0.710 1.931 63 HB ILE 8 HB ILE 8 6.640 1.725 2.703 64 HG12 ILE 8 HG12 ILE 8 6.615 -0.036 4.408 65 HG13 ILE 8 HG11 ILE 8 5.046 0.099 3.624 66 HG21 ILE 8 HG21 ILE 8 6.356 1.199 0.340 67 HG22 ILE 8 HG22 ILE 8 4.894 0.816 1.250 68 HG23 ILE 8 HG23 ILE 8 5.983 -0.477 0.746 69 HD11 ILE 8 HD11 ILE 8 5.586 -2.218 3.949 70 HD12 ILE 8 HD12 ILE 8 7.132 -2.012 3.123 71 HD13 ILE 8 HD13 ILE 8 5.624 -1.850 2.223 72 H SER 9 HN SER 9 8.949 2.752 2.262 73 HA SER 9 HA SER 9 8.905 3.482 -0.426 74 HB2 SER 9 HB2 SER 9 9.158 4.923 1.724 75 HB3 SER 9 HB1 SER 9 10.887 4.649 1.514 76 HG SER 9 HG SER 9 10.165 6.580 0.503 77 H SER 10 HN SER 10 11.666 2.332 1.533 78 HA SER 10 HA SER 10 13.534 2.452 -0.591 79 HB2 SER 10 HB2 SER 10 13.610 0.722 1.891 80 HB3 SER 10 HB1 SER 10 14.987 1.142 0.872 81 HG SER 10 HG SER 10 13.884 3.421 1.491 82 H ALA 11 HN ALA 11 11.027 0.231 0.128 83 HA ALA 11 HA ALA 11 12.218 -1.992 -1.281 84 HB1 ALA 11 HB1 ALA 11 10.690 -2.341 0.637 85 HB2 ALA 11 HB2 ALA 11 10.149 -3.160 -0.828 86 HB3 ALA 11 HB3 ALA 11 9.377 -1.656 -0.321 87 H CYS 12 HN CYS 12 9.370 0.115 -1.807 88 HA CYS 12 HA CYS 12 8.748 -0.889 -4.349 89 HB2 CYS 12 HB2 CYS 12 7.562 1.353 -4.638 90 HB3 CYS 12 HB1 CYS 12 7.058 0.344 -3.287 91 HG CYS 12 HG CYS 12 7.293 3.285 -2.875 92 H LYS 13 HN LYS 13 10.830 1.834 -3.417 93 HA LYS 13 HA LYS 13 11.293 2.826 -6.001 94 HB2 LYS 13 HB2 LYS 13 13.092 2.902 -3.575 95 HB3 LYS 13 HB1 LYS 13 13.341 3.850 -5.033 96 HG2 LYS 13 HG2 LYS 13 10.709 4.081 -3.690 97 HG3 LYS 13 HG1 LYS 13 12.102 4.812 -2.894 98 HD2 LYS 13 HD2 LYS 13 12.595 6.059 -4.973 99 HD3 LYS 13 HD1 LYS 13 11.141 5.369 -5.700 100 HE2 LYS 13 HE2 LYS 13 9.730 6.483 -4.147 101 HE3 LYS 13 HE1 LYS 13 11.098 6.957 -3.144 102 HZ1 LYS 13 HZ1 LYS 13 10.539 8.862 -4.337 103 HZ2 LYS 13 HZ2 LYS 13 10.310 8.021 -5.784 104 HZ3 LYS 13 HZ3 LYS 13 11.870 8.241 -5.175 105 H THR 14 HN THR 14 12.686 0.091 -4.341 106 HA THR 14 HA THR 14 14.811 -0.177 -6.310 107 HB THR 14 HB THR 14 14.187 -2.115 -4.083 108 HG1 THR 14 HG1 THR 14 14.571 -0.394 -2.854 109 HG21 THR 14 HG21 THR 14 16.790 -1.373 -5.431 110 HG22 THR 14 HG22 THR 14 15.830 -2.798 -5.820 111 HG23 THR 14 HG23 THR 14 16.554 -2.634 -4.220 112 H TYR 15 HN TYR 15 11.590 -1.021 -6.226 113 HA TYR 15 HA TYR 15 12.116 -3.365 -7.928 114 HB2 TYR 15 HB2 TYR 15 9.909 -2.853 -5.961 115 HB3 TYR 15 HB1 TYR 15 9.671 -3.977 -7.297 116 HD1 TYR 15 HD1 TYR 15 11.562 -3.337 -4.212 117 HD2 TYR 15 HD2 TYR 15 10.773 -6.126 -7.322 118 HE1 TYR 15 HE1 TYR 15 12.697 -5.091 -2.911 119 HE2 TYR 15 HE2 TYR 15 11.898 -7.888 -6.032 120 HH TYR 15 HH TYR 15 12.905 -7.412 -2.727 121 H CYS 16 HN CYS 16 9.945 -0.600 -7.452 122 HA CYS 16 HA CYS 16 9.011 -0.890 -10.200 123 HB2 CYS 16 HB2 CYS 16 8.097 0.988 -8.016 124 HB3 CYS 16 HB1 CYS 16 7.341 0.811 -9.597 125 HG CYS 16 HG CYS 16 7.065 -2.113 -8.893 126 H GLY 17 HN GLY 17 11.215 0.938 -8.344 127 HA2 GLY 17 HA2 GLY 17 12.864 2.347 -9.144 128 HA3 GLY 17 HA1 GLY 17 12.070 2.360 -10.708 129 H LYS 18 HN LYS 18 11.811 4.425 -11.180 130 HA LYS 18 HA LYS 18 11.203 6.401 -9.192 131 HB2 LYS 18 HB2 LYS 18 11.143 7.973 -11.124 132 HB3 LYS 18 HB1 LYS 18 12.628 7.032 -11.019 133 HG2 LYS 18 HG2 LYS 18 11.504 5.449 -12.693 134 HG3 LYS 18 HG1 LYS 18 10.367 6.774 -12.967 135 HD2 LYS 18 HD2 LYS 18 13.365 7.014 -13.203 136 HD3 LYS 18 HD1 LYS 18 12.279 6.725 -14.562 137 HE2 LYS 18 HE2 LYS 18 11.114 8.847 -14.026 138 HE3 LYS 18 HE1 LYS 18 12.289 9.129 -12.742 139 HZ1 LYS 18 HZ1 LYS 18 14.042 9.085 -14.454 140 HZ2 LYS 18 HZ2 LYS 18 12.934 10.339 -14.681 141 HZ3 LYS 18 HZ3 LYS 18 12.853 8.958 -15.649 142 H THR 19 HN THR 19 9.305 4.214 -10.842 143 HA THR 19 HA THR 19 6.989 5.874 -11.244 144 HB THR 19 HB THR 19 6.522 2.989 -11.088 145 HG1 THR 19 HG1 THR 19 8.203 2.367 -12.198 146 HG21 THR 19 HG21 THR 19 4.973 4.555 -12.149 147 HG22 THR 19 HG22 THR 19 5.576 3.384 -13.321 148 HG23 THR 19 HG23 THR 19 6.223 5.024 -13.301 149 H SER 20 HN SER 20 8.423 4.497 -8.560 150 HA SER 20 HA SER 20 6.248 3.565 -7.057 151 HB2 SER 20 HB2 SER 20 8.715 4.875 -5.908 152 HB3 SER 20 HB1 SER 20 7.743 3.580 -5.208 153 HG SER 20 HG SER 20 9.727 3.475 -7.145 154 HA PRO 21 HA PRO 21 4.166 7.283 -5.882 155 HB2 PRO 21 HB2 PRO 21 3.116 6.554 -3.482 156 HB3 PRO 21 HB1 PRO 21 2.520 5.906 -5.020 157 HG2 PRO 21 HG2 PRO 21 4.356 4.661 -3.042 158 HG3 PRO 21 HG1 PRO 21 3.033 3.931 -3.974 159 HD2 PRO 21 HD2 PRO 21 5.657 3.673 -4.652 160 HD3 PRO 21 HD1 PRO 21 4.332 3.628 -5.830 161 H SER 22 HN SER 22 3.943 8.862 -4.068 162 HA SER 22 HA SER 22 6.561 9.370 -2.916 163 HB2 SER 22 HB2 SER 22 4.822 11.450 -2.226 164 HB3 SER 22 HB1 SER 22 5.997 11.449 -3.541 165 HG SER 22 HG SER 22 4.443 11.030 -4.961 166 H LYS 23 HN LYS 23 6.575 10.325 -0.659 167 HA LYS 23 HA LYS 23 5.693 8.443 1.194 168 HB2 LYS 23 HB2 LYS 23 7.558 9.996 1.597 169 HB3 LYS 23 HB1 LYS 23 6.425 11.338 1.691 170 HG2 LYS 23 HG2 LYS 23 5.375 10.270 3.646 171 HG3 LYS 23 HG1 LYS 23 6.589 8.989 3.564 172 HD2 LYS 23 HD2 LYS 23 8.342 10.787 3.755 173 HD3 LYS 23 HD1 LYS 23 7.033 11.917 4.105 174 HE2 LYS 23 HE2 LYS 23 6.508 10.877 6.120 175 HE3 LYS 23 HE1 LYS 23 7.333 9.385 5.671 176 HZ1 LYS 23 HZ1 LYS 23 9.449 10.558 5.849 177 HZ2 LYS 23 HZ2 LYS 23 8.600 10.606 7.306 178 HZ3 LYS 23 HZ3 LYS 23 8.649 11.973 6.316 179 H LYS 24 HN LYS 24 4.307 11.562 0.288 180 HA LYS 24 HA LYS 24 2.255 11.675 2.179 181 HB2 LYS 24 HB2 LYS 24 2.779 12.908 -0.466 182 HB3 LYS 24 HB1 LYS 24 1.123 12.970 0.119 183 HG2 LYS 24 HG2 LYS 24 1.635 14.372 1.843 184 HG3 LYS 24 HG1 LYS 24 3.299 13.800 1.966 185 HD2 LYS 24 HD2 LYS 24 2.432 15.260 -0.489 186 HD3 LYS 24 HD1 LYS 24 2.772 16.174 0.982 187 HE2 LYS 24 HE2 LYS 24 4.970 15.957 0.699 188 HE3 LYS 24 HE1 LYS 24 4.831 14.214 0.475 189 HZ1 LYS 24 HZ1 LYS 24 4.044 14.854 -1.871 190 HZ2 LYS 24 HZ2 LYS 24 5.695 14.930 -1.518 191 HZ3 LYS 24 HZ3 LYS 24 4.773 16.348 -1.553 192 H GLU 25 HN GLU 25 2.401 10.036 -0.935 193 HA GLU 25 HA GLU 25 -0.358 9.369 -1.043 194 HB2 GLU 25 HB2 GLU 25 2.097 8.458 -2.479 195 HB3 GLU 25 HB1 GLU 25 0.620 7.515 -2.630 196 HG2 GLU 25 HG2 GLU 25 -0.489 9.750 -3.246 197 HG3 GLU 25 HG1 GLU 25 1.158 10.326 -3.501 198 H ILE 26 HN ILE 26 2.542 7.599 -0.010 199 HA ILE 26 HA ILE 26 1.233 5.195 0.660 200 HB ILE 26 HB ILE 26 3.760 6.314 1.897 201 HG12 ILE 26 HG12 ILE 26 3.496 4.426 -0.453 202 HG13 ILE 26 HG11 ILE 26 3.770 6.157 -0.614 203 HG21 ILE 26 HG21 ILE 26 2.792 4.456 3.163 204 HG22 ILE 26 HG22 ILE 26 4.304 3.984 2.388 205 HG23 ILE 26 HG23 ILE 26 2.762 3.472 1.700 206 HD11 ILE 26 HD11 ILE 26 5.883 5.931 0.588 207 HD12 ILE 26 HD12 ILE 26 5.838 4.917 -0.855 208 HD13 ILE 26 HD13 ILE 26 5.608 4.195 0.740 209 H GLY 27 HN GLY 27 2.023 8.074 2.571 210 HA2 GLY 27 HA2 GLY 27 1.157 7.143 5.073 211 HA3 GLY 27 HA1 GLY 27 1.239 8.831 4.585 212 H ALA 28 HN ALA 28 -0.604 9.010 2.616 213 HA ALA 28 HA ALA 28 -3.027 9.154 4.041 214 HB1 ALA 28 HB1 ALA 28 -2.520 10.636 2.177 215 HB2 ALA 28 HB2 ALA 28 -4.039 9.780 1.904 216 HB3 ALA 28 HB3 ALA 28 -2.574 9.273 1.061 217 H MET 29 HN MET 29 -1.810 6.839 1.673 218 HA MET 29 HA MET 29 -4.139 5.314 1.345 219 HB2 MET 29 HB2 MET 29 -2.193 5.120 -0.136 220 HB3 MET 29 HB1 MET 29 -1.245 4.453 1.187 221 HG2 MET 29 HG2 MET 29 -3.177 2.668 1.226 222 HG3 MET 29 HG1 MET 29 -3.386 3.194 -0.442 223 HE1 MET 29 HE1 MET 29 0.334 1.122 1.307 224 HE2 MET 29 HE2 MET 29 -1.207 1.334 2.137 225 HE3 MET 29 HE3 MET 29 -0.163 2.725 1.845 226 H LEU 30 HN LEU 30 -1.462 5.020 3.633 227 HA LEU 30 HA LEU 30 -2.275 2.635 4.871 228 HB2 LEU 30 HB2 LEU 30 -0.038 3.712 5.081 229 HB3 LEU 30 HB1 LEU 30 -0.764 4.933 6.107 230 HG LEU 30 HG LEU 30 -1.371 3.157 7.734 231 HD11 LEU 30 HD11 LEU 30 0.059 1.446 5.727 232 HD12 LEU 30 HD12 LEU 30 -1.514 1.187 6.484 233 HD13 LEU 30 HD13 LEU 30 -0.037 0.994 7.428 234 HD21 LEU 30 HD21 LEU 30 0.561 4.345 8.272 235 HD22 LEU 30 HD22 LEU 30 1.485 3.621 6.957 236 HD23 LEU 30 HD23 LEU 30 1.058 2.655 8.368 237 H SER 31 HN SER 31 -2.822 6.019 5.834 238 HA SER 31 HA SER 31 -4.341 5.471 8.119 239 HB2 SER 31 HB2 SER 31 -4.528 7.894 6.317 240 HB3 SER 31 HB1 SER 31 -5.057 7.796 7.997 241 HG SER 31 HG SER 31 -2.825 8.675 7.406 242 H LEU 32 HN LEU 32 -5.271 5.739 4.734 243 HA LEU 32 HA LEU 32 -8.069 5.799 5.136 244 HB2 LEU 32 HB2 LEU 32 -6.241 5.549 2.901 245 HB3 LEU 32 HB1 LEU 32 -7.618 4.481 2.708 246 HG LEU 32 HG LEU 32 -7.926 6.674 1.609 247 HD11 LEU 32 HD11 LEU 32 -9.902 5.488 2.206 248 HD12 LEU 32 HD12 LEU 32 -10.153 7.180 2.636 249 HD13 LEU 32 HD13 LEU 32 -9.772 5.999 3.888 250 HD21 LEU 32 HD21 LEU 32 -7.841 7.742 4.428 251 HD22 LEU 32 HD22 LEU 32 -8.335 8.654 3.002 252 HD23 LEU 32 HD23 LEU 32 -6.677 8.073 3.145 253 H LEU 33 HN LEU 33 -5.752 3.170 4.713 254 HA LEU 33 HA LEU 33 -7.608 1.055 4.559 255 HB2 LEU 33 HB2 LEU 33 -4.774 1.045 5.607 256 HB3 LEU 33 HB1 LEU 33 -5.712 -0.387 5.243 257 HG LEU 33 HG LEU 33 -4.984 1.692 3.187 258 HD11 LEU 33 HD11 LEU 33 -2.969 0.653 4.088 259 HD12 LEU 33 HD12 LEU 33 -3.273 0.129 2.434 260 HD13 LEU 33 HD13 LEU 33 -3.650 -0.945 3.781 261 HD21 LEU 33 HD21 LEU 33 -6.069 -1.108 2.954 262 HD22 LEU 33 HD22 LEU 33 -5.582 -0.089 1.603 263 HD23 LEU 33 HD23 LEU 33 -6.945 0.385 2.618 264 H GLN 34 HN GLN 34 -5.947 2.549 7.284 265 HA GLN 34 HA GLN 34 -6.982 0.769 9.238 266 HB2 GLN 34 HB2 GLN 34 -5.508 3.361 9.290 267 HB3 GLN 34 HB1 GLN 34 -6.299 2.813 10.765 268 HG2 GLN 34 HG2 GLN 34 -5.025 0.761 10.732 269 HG3 GLN 34 HG1 GLN 34 -4.296 1.207 9.190 270 HE21 GLN 34 HE21 GLN 34 -3.179 0.658 11.901 271 HE22 GLN 34 HE22 GLN 34 -2.195 2.033 12.258 272 H LYS 35 HN LYS 35 -7.973 3.996 8.132 273 HA LYS 35 HA LYS 35 -10.014 4.301 10.073 274 HB2 LYS 35 HB2 LYS 35 -10.563 6.289 9.021 275 HB3 LYS 35 HB1 LYS 35 -8.879 6.088 8.569 276 HG2 LYS 35 HG2 LYS 35 -9.542 5.234 6.394 277 HG3 LYS 35 HG1 LYS 35 -11.241 5.381 6.843 278 HD2 LYS 35 HD2 LYS 35 -9.310 7.695 6.754 279 HD3 LYS 35 HD1 LYS 35 -10.383 7.256 5.426 280 HE2 LYS 35 HE2 LYS 35 -12.288 7.471 7.085 281 HE3 LYS 35 HE1 LYS 35 -11.126 8.218 8.177 282 HZ1 LYS 35 HZ1 LYS 35 -11.939 9.203 5.500 283 HZ2 LYS 35 HZ2 LYS 35 -10.678 9.865 6.409 284 HZ3 LYS 35 HZ3 LYS 35 -12.261 9.929 6.994 285 H GLU 36 HN GLU 36 -9.934 2.688 6.980 286 HA GLU 36 HA GLU 36 -12.815 2.473 6.842 287 HB2 GLU 36 HB2 GLU 36 -10.594 1.328 5.154 288 HB3 GLU 36 HB1 GLU 36 -12.284 0.928 4.898 289 HG2 GLU 36 HG2 GLU 36 -10.960 3.604 4.605 290 HG3 GLU 36 HG1 GLU 36 -11.757 2.637 3.364 291 H GLY 37 HN GLY 37 -10.483 0.934 8.622 292 HA2 GLY 37 HA2 GLY 37 -10.756 -0.847 10.084 293 HA3 GLY 37 HA1 GLY 37 -12.314 -1.178 9.343 294 H LEU 38 HN LEU 38 -9.695 -0.882 7.175 295 HA LEU 38 HA LEU 38 -9.916 -3.673 6.470 296 HB2 LEU 38 HB2 LEU 38 -8.161 -1.480 5.366 297 HB3 LEU 38 HB1 LEU 38 -8.298 -3.090 4.688 298 HG LEU 38 HG LEU 38 -10.591 -1.138 4.901 299 HD11 LEU 38 HD11 LEU 38 -9.279 -0.122 3.311 300 HD12 LEU 38 HD12 LEU 38 -10.215 -1.232 2.311 301 HD13 LEU 38 HD13 LEU 38 -8.563 -1.641 2.775 302 HD21 LEU 38 HD21 LEU 38 -11.349 -3.423 4.864 303 HD22 LEU 38 HD22 LEU 38 -10.294 -3.787 3.499 304 HD23 LEU 38 HD23 LEU 38 -11.656 -2.686 3.292 305 H LEU 39 HN LEU 39 -7.557 -1.544 7.965 306 HA LEU 39 HA LEU 39 -5.990 -3.915 8.720 307 HB2 LEU 39 HB2 LEU 39 -4.979 -1.210 7.856 308 HB3 LEU 39 HB1 LEU 39 -3.978 -2.384 8.690 309 HG LEU 39 HG LEU 39 -5.199 -2.646 5.944 310 HD11 LEU 39 HD11 LEU 39 -2.869 -2.829 5.239 311 HD12 LEU 39 HD12 LEU 39 -2.344 -2.611 6.910 312 HD13 LEU 39 HD13 LEU 39 -3.172 -1.300 6.066 313 HD21 LEU 39 HD21 LEU 39 -5.384 -4.826 6.621 314 HD22 LEU 39 HD22 LEU 39 -4.074 -4.688 7.793 315 HD23 LEU 39 HD23 LEU 39 -3.706 -4.817 6.073 316 H MET 40 HN MET 40 -4.712 -3.616 10.688 317 HA MET 40 HA MET 40 -6.119 -1.861 12.591 318 HB2 MET 40 HB2 MET 40 -6.331 -4.281 13.032 319 HB3 MET 40 HB1 MET 40 -4.581 -4.416 13.112 320 HG2 MET 40 HG2 MET 40 -4.645 -2.786 15.024 321 HG3 MET 40 HG1 MET 40 -6.399 -2.953 15.010 322 HE1 MET 40 HE1 MET 40 -3.355 -6.198 16.181 323 HE2 MET 40 HE2 MET 40 -3.035 -4.465 16.260 324 HE3 MET 40 HE3 MET 40 -3.261 -5.249 14.697 325 H SER 41 HN SER 41 -2.954 -3.175 11.720 326 HA SER 41 HA SER 41 -1.718 -0.845 13.038 327 HB2 SER 41 HB2 SER 41 0.274 -2.706 13.052 328 HB3 SER 41 HB1 SER 41 -0.826 -2.438 14.404 329 HG SER 41 HG SER 41 -1.735 -4.160 12.416 330 HA PRO 42 HA PRO 42 0.212 0.088 9.176 331 HB2 PRO 42 HB2 PRO 42 2.701 0.935 9.963 332 HB3 PRO 42 HB1 PRO 42 1.236 1.915 10.157 333 HG2 PRO 42 HG2 PRO 42 2.659 0.242 12.159 334 HG3 PRO 42 HG1 PRO 42 1.931 1.850 12.342 335 HD2 PRO 42 HD2 PRO 42 0.697 -0.381 13.215 336 HD3 PRO 42 HD1 PRO 42 -0.199 1.012 12.577 337 H SER 43 HN SER 43 1.646 -2.185 11.330 338 HA SER 43 HA SER 43 3.580 -3.149 9.405 339 HB2 SER 43 HB2 SER 43 3.492 -4.937 11.532 340 HB3 SER 43 HB1 SER 43 4.601 -3.571 11.370 341 HG SER 43 HG SER 43 3.602 -3.211 13.271 342 H ASP 44 HN ASP 44 0.358 -3.463 9.571 343 HA ASP 44 HA ASP 44 -0.044 -6.276 9.462 344 HB2 ASP 44 HB2 ASP 44 -1.682 -3.872 9.007 345 HB3 ASP 44 HB1 ASP 44 -2.167 -5.284 8.074 346 H LEU 45 HN LEU 45 1.112 -3.996 7.186 347 HA LEU 45 HA LEU 45 0.352 -5.267 4.782 348 HB2 LEU 45 HB2 LEU 45 2.572 -3.364 5.480 349 HB3 LEU 45 HB1 LEU 45 2.411 -4.025 3.864 350 HG LEU 45 HG LEU 45 1.367 -1.960 3.695 351 HD11 LEU 45 HD11 LEU 45 -0.074 -3.843 2.921 352 HD12 LEU 45 HD12 LEU 45 -0.955 -2.374 3.341 353 HD13 LEU 45 HD13 LEU 45 -0.936 -3.740 4.455 354 HD21 LEU 45 HD21 LEU 45 0.051 -2.474 6.354 355 HD22 LEU 45 HD22 LEU 45 -0.168 -1.038 5.355 356 HD23 LEU 45 HD23 LEU 45 1.411 -1.392 6.058 357 H TYR 46 HN TYR 46 2.503 -6.196 7.188 358 HA TYR 46 HA TYR 46 4.409 -7.587 5.572 359 HB2 TYR 46 HB2 TYR 46 3.755 -7.544 8.505 360 HB3 TYR 46 HB1 TYR 46 4.859 -8.753 7.859 361 HD1 TYR 46 HD1 TYR 46 4.472 -5.135 6.986 362 HD2 TYR 46 HD2 TYR 46 6.968 -8.172 8.619 363 HE1 TYR 46 HE1 TYR 46 6.325 -3.530 7.122 364 HE2 TYR 46 HE2 TYR 46 8.825 -6.566 8.766 365 HH TYR 46 HH TYR 46 8.394 -3.193 8.293 366 H SER 47 HN SER 47 1.209 -8.158 6.384 367 HA SER 47 HA SER 47 1.450 -11.070 6.149 368 HB2 SER 47 HB2 SER 47 -1.017 -9.430 6.779 369 HB3 SER 47 HB1 SER 47 -0.815 -11.169 6.978 370 HG SER 47 HG SER 47 0.869 -9.345 8.327 371 HA PRO 48 HA PRO 48 0.472 -10.172 1.813 372 HB2 PRO 48 HB2 PRO 48 1.025 -12.685 0.906 373 HB3 PRO 48 HB1 PRO 48 2.270 -11.461 1.212 374 HG2 PRO 48 HG2 PRO 48 1.442 -13.766 2.890 375 HG3 PRO 48 HG1 PRO 48 3.063 -13.112 2.585 376 HD2 PRO 48 HD2 PRO 48 1.674 -12.619 4.862 377 HD3 PRO 48 HD1 PRO 48 2.857 -11.488 4.179 378 H GLY 49 HN GLY 49 -0.859 -12.772 3.781 379 HA2 GLY 49 HA2 GLY 49 -2.809 -13.627 1.894 380 HA3 GLY 49 HA1 GLY 49 -2.844 -13.934 3.625 381 H SER 50 HN SER 50 -2.662 -10.935 4.048 382 HA SER 50 HA SER 50 -5.510 -10.501 4.105 383 HB2 SER 50 HB2 SER 50 -3.493 -8.442 4.924 384 HB3 SER 50 HB1 SER 50 -5.074 -8.795 5.624 385 HG SER 50 HG SER 50 -3.637 -9.669 7.020 386 H TRP 51 HN TRP 51 -3.196 -9.951 1.781 387 HA TRP 51 HA TRP 51 -3.882 -7.346 0.898 388 HB2 TRP 51 HB2 TRP 51 -2.612 -9.671 -0.556 389 HB3 TRP 51 HB1 TRP 51 -2.792 -8.064 -1.253 390 HD1 TRP 51 HD1 TRP 51 -2.019 -6.860 1.871 391 HE1 TRP 51 HE1 TRP 51 0.497 -6.658 2.351 392 HE3 TRP 51 HE3 TRP 51 -0.249 -9.978 -1.772 393 HZ2 TRP 51 HZ2 TRP 51 2.916 -7.685 1.317 394 HZ3 TRP 51 HZ3 TRP 51 2.179 -10.318 -1.956 395 HH2 TRP 51 HH2 TRP 51 3.730 -9.191 -0.442 396 H ASP 52 HN ASP 52 -5.173 -10.530 0.205 397 HA ASP 52 HA ASP 52 -6.615 -9.991 -2.099 398 HB2 ASP 52 HB2 ASP 52 -6.252 -12.253 -1.216 399 HB3 ASP 52 HB1 ASP 52 -7.343 -11.913 0.118 400 HA PRO 53 HA PRO 53 -10.547 -8.837 0.494 401 HB2 PRO 53 HB2 PRO 53 -10.087 -8.057 3.095 402 HB3 PRO 53 HB1 PRO 53 -10.605 -9.685 2.618 403 HG2 PRO 53 HG2 PRO 53 -7.880 -8.701 3.299 404 HG3 PRO 53 HG1 PRO 53 -8.673 -10.232 3.720 405 HD2 PRO 53 HD2 PRO 53 -6.862 -10.093 1.744 406 HD3 PRO 53 HD1 PRO 53 -8.267 -11.176 1.665 407 H ILE 54 HN ILE 54 -7.455 -7.300 1.084 408 HA ILE 54 HA ILE 54 -8.480 -4.677 1.494 409 HB ILE 54 HB ILE 54 -5.718 -5.614 0.728 410 HG12 ILE 54 HG12 ILE 54 -6.798 -4.501 3.322 411 HG13 ILE 54 HG11 ILE 54 -6.537 -6.210 2.996 412 HG21 ILE 54 HG21 ILE 54 -6.050 -3.356 -0.129 413 HG22 ILE 54 HG22 ILE 54 -4.944 -3.348 1.247 414 HG23 ILE 54 HG23 ILE 54 -6.614 -2.829 1.456 415 HD11 ILE 54 HD11 ILE 54 -4.153 -5.819 2.759 416 HD12 ILE 54 HD12 ILE 54 -4.737 -5.245 4.321 417 HD13 ILE 54 HD13 ILE 54 -4.398 -4.093 3.029 418 H THR 55 HN THR 55 -6.780 -6.134 -1.303 419 HA THR 55 HA THR 55 -7.154 -3.998 -3.060 420 HB THR 55 HB THR 55 -7.145 -6.879 -3.955 421 HG1 THR 55 HG1 THR 55 -5.207 -7.079 -3.153 422 HG21 THR 55 HG21 THR 55 -5.892 -5.983 -5.856 423 HG22 THR 55 HG22 THR 55 -5.956 -4.367 -5.150 424 HG23 THR 55 HG23 THR 55 -7.441 -5.155 -5.687 425 H ALA 56 HN ALA 56 -9.226 -6.753 -2.328 426 HA ALA 56 HA ALA 56 -11.147 -6.420 -4.320 427 HB1 ALA 56 HB1 ALA 56 -11.564 -7.428 -1.507 428 HB2 ALA 56 HB2 ALA 56 -10.980 -8.394 -2.860 429 HB3 ALA 56 HB3 ALA 56 -12.614 -7.728 -2.892 430 H ALA 57 HN ALA 57 -11.046 -5.090 -1.021 431 HA ALA 57 HA ALA 57 -13.493 -3.682 -1.216 432 HB1 ALA 57 HB1 ALA 57 -11.155 -3.107 0.594 433 HB2 ALA 57 HB2 ALA 57 -12.425 -4.289 0.916 434 HB3 ALA 57 HB3 ALA 57 -12.818 -2.572 0.822 435 H LEU 58 HN LEU 58 -10.135 -2.748 -1.794 436 HA LEU 58 HA LEU 58 -10.680 -0.003 -2.215 437 HB2 LEU 58 HB2 LEU 58 -8.383 -1.766 -3.036 438 HB3 LEU 58 HB1 LEU 58 -8.437 -0.052 -3.403 439 HG LEU 58 HG LEU 58 -8.602 -1.150 -0.594 440 HD11 LEU 58 HD11 LEU 58 -6.455 -1.748 -1.612 441 HD12 LEU 58 HD12 LEU 58 -6.269 -0.533 -0.351 442 HD13 LEU 58 HD13 LEU 58 -6.196 -0.057 -2.046 443 HD21 LEU 58 HD21 LEU 58 -8.152 1.107 0.084 444 HD22 LEU 58 HD22 LEU 58 -9.532 1.120 -1.013 445 HD23 LEU 58 HD23 LEU 58 -7.942 1.618 -1.590 446 H SER 59 HN SER 59 -10.479 -2.771 -4.420 447 HA SER 59 HA SER 59 -10.812 -1.265 -6.798 448 HB2 SER 59 HB2 SER 59 -9.923 -3.546 -6.831 449 HB3 SER 59 HB1 SER 59 -11.447 -4.170 -6.204 450 HG SER 59 HG SER 59 -11.540 -2.658 -8.553 451 H GLN 60 HN GLN 60 -12.992 -2.689 -4.476 452 HA GLN 60 HA GLN 60 -15.388 -2.492 -5.916 453 HB2 GLN 60 HB2 GLN 60 -14.957 -3.751 -3.761 454 HB3 GLN 60 HB1 GLN 60 -15.078 -2.208 -2.930 455 HG2 GLN 60 HG2 GLN 60 -17.361 -1.952 -3.668 456 HG3 GLN 60 HG1 GLN 60 -17.255 -3.448 -4.596 457 HE21 GLN 60 HE21 GLN 60 -17.485 -2.037 -1.437 458 HE22 GLN 60 HE22 GLN 60 -17.866 -3.499 -0.594 459 H ARG 61 HN ARG 61 -14.123 -0.306 -3.381 460 HA ARG 61 HA ARG 61 -16.080 1.682 -3.738 461 HB2 ARG 61 HB2 ARG 61 -14.570 3.165 -2.487 462 HB3 ARG 61 HB1 ARG 61 -14.713 1.590 -1.721 463 HG2 ARG 61 HG2 ARG 61 -12.564 0.939 -2.733 464 HG3 ARG 61 HG1 ARG 61 -12.411 2.567 -3.398 465 HD2 ARG 61 HD2 ARG 61 -12.933 2.322 -0.494 466 HD3 ARG 61 HD1 ARG 61 -11.339 1.850 -1.065 467 HE ARG 61 HE ARG 61 -11.114 4.112 -1.980 468 HH11 ARG 61 HH11 ARG 61 -13.592 3.578 0.436 469 HH12 ARG 61 HH12 ARG 61 -13.636 5.238 0.932 470 HH21 ARG 61 HH21 ARG 61 -11.154 6.270 -1.339 471 HH22 ARG 61 HH22 ARG 61 -12.246 6.781 -0.080 472 H ALA 62 HN ALA 62 -13.065 1.072 -5.395 473 HA ALA 62 HA ALA 62 -12.754 3.568 -6.648 474 HB1 ALA 62 HB1 ALA 62 -11.877 0.851 -7.609 475 HB2 ALA 62 HB2 ALA 62 -10.966 1.915 -6.536 476 HB3 ALA 62 HB3 ALA 62 -11.280 2.401 -8.202 477 H MET 63 HN MET 63 -14.379 0.601 -7.744 478 HA MET 63 HA MET 63 -15.186 1.862 -10.213 479 HB2 MET 63 HB2 MET 63 -16.223 -0.241 -10.770 480 HB3 MET 63 HB1 MET 63 -14.623 -0.545 -10.109 481 HG2 MET 63 HG2 MET 63 -15.545 -1.255 -8.025 482 HG3 MET 63 HG1 MET 63 -17.159 -0.742 -8.507 483 HE1 MET 63 HE1 MET 63 -14.401 -2.712 -10.582 484 HE2 MET 63 HE2 MET 63 -14.904 -4.374 -10.265 485 HE3 MET 63 HE3 MET 63 -14.304 -3.364 -8.949 486 H ILE 64 HN ILE 64 -16.540 1.541 -7.053 487 HA ILE 64 HA ILE 64 -19.261 1.931 -7.982 488 HB ILE 64 HB ILE 64 -18.110 1.772 -5.198 489 HG12 ILE 64 HG12 ILE 64 -19.853 -0.101 -6.815 490 HG13 ILE 64 HG11 ILE 64 -18.158 -0.345 -6.406 491 HG21 ILE 64 HG21 ILE 64 -20.445 1.721 -4.408 492 HG22 ILE 64 HG22 ILE 64 -20.989 2.092 -6.046 493 HG23 ILE 64 HG23 ILE 64 -20.021 3.263 -5.149 494 HD11 ILE 64 HD11 ILE 64 -20.504 -0.336 -4.531 495 HD12 ILE 64 HD12 ILE 64 -18.822 -0.369 -4.004 496 HD13 ILE 64 HD13 ILE 64 -19.472 -1.700 -4.963 497 H LEU 65 HN LEU 65 -16.904 3.804 -6.062 498 HA LEU 65 HA LEU 65 -18.638 6.133 -6.143 499 HB2 LEU 65 HB2 LEU 65 -15.961 5.615 -4.870 500 HB3 LEU 65 HB1 LEU 65 -16.745 7.184 -4.838 501 HG LEU 65 HG LEU 65 -18.333 4.875 -3.877 502 HD11 LEU 65 HD11 LEU 65 -15.984 6.023 -2.388 503 HD12 LEU 65 HD12 LEU 65 -16.266 4.338 -2.830 504 HD13 LEU 65 HD13 LEU 65 -17.290 5.116 -1.626 505 HD21 LEU 65 HD21 LEU 65 -17.939 7.687 -2.870 506 HD22 LEU 65 HD22 LEU 65 -19.134 6.530 -2.286 507 HD23 LEU 65 HD23 LEU 65 -19.238 7.152 -3.935 508 H GLY 66 HN GLY 66 -15.913 4.891 -7.857 509 HA2 GLY 66 HA2 GLY 66 -15.118 5.697 -9.902 510 HA3 GLY 66 HA1 GLY 66 -16.027 7.178 -9.640 511 H LYS 67 HN LYS 67 -13.669 5.648 -7.502 512 HA LYS 67 HA LYS 67 -11.734 7.740 -8.089 513 HB2 LYS 67 HB2 LYS 67 -11.390 8.192 -5.653 514 HB3 LYS 67 HB1 LYS 67 -12.937 8.749 -6.269 515 HG2 LYS 67 HG2 LYS 67 -14.067 6.870 -5.262 516 HG3 LYS 67 HG1 LYS 67 -12.523 6.185 -4.746 517 HD2 LYS 67 HD2 LYS 67 -13.520 7.283 -2.855 518 HD3 LYS 67 HD1 LYS 67 -12.144 8.248 -3.393 519 HE2 LYS 67 HE2 LYS 67 -13.680 9.729 -4.612 520 HE3 LYS 67 HE1 LYS 67 -15.050 8.789 -4.023 521 HZ1 LYS 67 HZ1 LYS 67 -14.521 9.435 -1.782 522 HZ2 LYS 67 HZ2 LYS 67 -14.640 10.826 -2.733 523 HZ3 LYS 67 HZ3 LYS 67 -13.122 10.239 -2.285 524 H SER 68 HN SER 68 -9.879 6.750 -8.457 525 HA SER 68 HA SER 68 -9.359 4.206 -7.081 526 HB2 SER 68 HB2 SER 68 -7.722 3.944 -9.114 527 HB3 SER 68 HB1 SER 68 -9.444 3.638 -9.331 528 HG SER 68 HG SER 68 -8.517 5.001 -10.964 529 H GLY 69 HN GLY 69 -8.675 7.163 -6.444 530 HA2 GLY 69 HA2 GLY 69 -5.939 7.600 -6.648 531 HA3 GLY 69 HA1 GLY 69 -6.953 8.227 -5.356 532 H GLU 70 HN GLU 70 -7.703 6.003 -4.017 533 HA GLU 70 HA GLU 70 -5.369 5.376 -2.524 534 HB2 GLU 70 HB2 GLU 70 -8.098 4.074 -2.430 535 HB3 GLU 70 HB1 GLU 70 -6.845 3.931 -1.205 536 HG2 GLU 70 HG2 GLU 70 -8.273 5.503 -0.301 537 HG3 GLU 70 HG1 GLU 70 -7.034 6.505 -1.050 538 H LEU 71 HN LEU 71 -7.217 3.734 -4.995 539 HA LEU 71 HA LEU 71 -6.077 1.167 -4.691 540 HB2 LEU 71 HB2 LEU 71 -8.076 2.302 -6.236 541 HB3 LEU 71 HB1 LEU 71 -6.870 1.830 -7.414 542 HG LEU 71 HG LEU 71 -8.482 0.100 -5.571 543 HD11 LEU 71 HD11 LEU 71 -8.825 -1.158 -7.671 544 HD12 LEU 71 HD12 LEU 71 -7.879 0.063 -8.522 545 HD13 LEU 71 HD13 LEU 71 -9.401 0.505 -7.748 546 HD21 LEU 71 HD21 LEU 71 -7.005 -1.802 -6.419 547 HD22 LEU 71 HD22 LEU 71 -6.357 -0.792 -5.128 548 HD23 LEU 71 HD23 LEU 71 -5.814 -0.556 -6.789 549 H LYS 72 HN LYS 72 -5.202 3.974 -6.657 550 HA LYS 72 HA LYS 72 -3.245 2.719 -8.227 551 HB2 LYS 72 HB2 LYS 72 -3.613 5.588 -7.398 552 HB3 LYS 72 HB1 LYS 72 -2.299 5.077 -8.450 553 HG2 LYS 72 HG2 LYS 72 -4.297 3.951 -9.773 554 HG3 LYS 72 HG1 LYS 72 -5.206 5.241 -8.986 555 HD2 LYS 72 HD2 LYS 72 -2.673 5.733 -10.536 556 HD3 LYS 72 HD1 LYS 72 -4.272 5.764 -11.278 557 HE2 LYS 72 HE2 LYS 72 -4.932 7.501 -9.620 558 HE3 LYS 72 HE1 LYS 72 -3.266 7.528 -9.054 559 HZ1 LYS 72 HZ1 LYS 72 -3.920 9.262 -10.748 560 HZ2 LYS 72 HZ2 LYS 72 -3.954 8.014 -11.885 561 HZ3 LYS 72 HZ3 LYS 72 -2.519 8.380 -11.075 562 H THR 73 HN THR 73 -2.923 4.519 -5.181 563 HA THR 73 HA THR 73 -0.144 4.175 -4.925 564 HB THR 73 HB THR 73 -2.068 4.377 -2.604 565 HG1 THR 73 HG1 THR 73 -1.023 6.493 -4.232 566 HG21 THR 73 HG21 THR 73 0.763 5.356 -3.021 567 HG22 THR 73 HG22 THR 73 0.273 3.988 -2.022 568 HG23 THR 73 HG23 THR 73 -0.211 5.625 -1.575 569 H TRP 74 HN TRP 74 -2.885 2.231 -3.790 570 HA TRP 74 HA TRP 74 -1.402 0.352 -2.305 571 HB2 TRP 74 HB2 TRP 74 -3.775 0.469 -1.986 572 HB3 TRP 74 HB1 TRP 74 -4.081 0.133 -3.686 573 HD1 TRP 74 HD1 TRP 74 -4.837 -2.269 -4.101 574 HE1 TRP 74 HE1 TRP 74 -4.485 -4.554 -2.964 575 HE3 TRP 74 HE3 TRP 74 -1.710 -0.816 -0.329 576 HZ2 TRP 74 HZ2 TRP 74 -3.069 -5.590 -0.763 577 HZ3 TRP 74 HZ3 TRP 74 -0.899 -2.518 1.251 578 HH2 TRP 74 HH2 TRP 74 -1.565 -4.857 1.036 579 H GLY 75 HN GLY 75 -2.573 0.254 -5.659 580 HA2 GLY 75 HA2 GLY 75 -1.687 -2.279 -6.363 581 HA3 GLY 75 HA1 GLY 75 -1.840 -0.935 -7.483 582 H LEU 76 HN LEU 76 0.119 0.752 -6.347 583 HA LEU 76 HA LEU 76 2.442 -0.273 -7.600 584 HB2 LEU 76 HB2 LEU 76 2.096 2.065 -5.722 585 HB3 LEU 76 HB1 LEU 76 3.552 1.734 -6.635 586 HG LEU 76 HG LEU 76 0.867 2.331 -7.877 587 HD11 LEU 76 HD11 LEU 76 1.872 4.229 -6.599 588 HD12 LEU 76 HD12 LEU 76 1.685 4.527 -8.326 589 HD13 LEU 76 HD13 LEU 76 3.271 4.131 -7.667 590 HD21 LEU 76 HD21 LEU 76 2.252 2.666 -9.918 591 HD22 LEU 76 HD22 LEU 76 2.236 1.002 -9.339 592 HD23 LEU 76 HD23 LEU 76 3.639 2.024 -9.032 593 H VAL 77 HN VAL 77 1.534 0.168 -4.195 594 HA VAL 77 HA VAL 77 3.971 -0.811 -3.117 595 HB VAL 77 HB VAL 77 1.223 -0.694 -1.857 596 HG11 VAL 77 HG11 VAL 77 3.918 -0.975 -0.534 597 HG12 VAL 77 HG12 VAL 77 2.723 -2.260 -0.704 598 HG13 VAL 77 HG13 VAL 77 2.360 -0.844 0.283 599 HG21 VAL 77 HG21 VAL 77 2.028 1.370 -0.811 600 HG22 VAL 77 HG22 VAL 77 2.012 1.497 -2.570 601 HG23 VAL 77 HG23 VAL 77 3.534 1.238 -1.717 602 H LEU 78 HN LEU 78 0.831 -2.295 -3.770 603 HA LEU 78 HA LEU 78 1.255 -4.817 -2.682 604 HB2 LEU 78 HB2 LEU 78 -0.925 -4.108 -3.397 605 HB3 LEU 78 HB1 LEU 78 -0.383 -3.938 -5.054 606 HG LEU 78 HG LEU 78 0.008 -6.441 -5.063 607 HD11 LEU 78 HD11 LEU 78 -1.613 -6.276 -2.530 608 HD12 LEU 78 HD12 LEU 78 0.066 -6.797 -2.662 609 HD13 LEU 78 HD13 LEU 78 -1.216 -7.754 -3.407 610 HD21 LEU 78 HD21 LEU 78 -2.370 -6.947 -5.408 611 HD22 LEU 78 HD22 LEU 78 -1.897 -5.430 -6.171 612 HD23 LEU 78 HD23 LEU 78 -2.798 -5.409 -4.655 613 H GLY 79 HN GLY 79 1.914 -3.663 -5.981 614 HA2 GLY 79 HA2 GLY 79 2.824 -6.111 -7.027 615 HA3 GLY 79 HA1 GLY 79 3.238 -4.522 -7.649 616 H ALA 80 HN ALA 80 4.601 -3.511 -5.402 617 HA ALA 80 HA ALA 80 7.173 -4.635 -5.844 618 HB1 ALA 80 HB1 ALA 80 6.292 -2.675 -3.730 619 HB2 ALA 80 HB2 ALA 80 6.845 -2.265 -5.353 620 HB3 ALA 80 HB3 ALA 80 7.954 -3.013 -4.204 621 H LEU 81 HN LEU 81 4.905 -4.748 -3.112 622 HA LEU 81 HA LEU 81 6.606 -6.233 -1.400 623 HB2 LEU 81 HB2 LEU 81 3.622 -5.841 -1.434 624 HB3 LEU 81 HB1 LEU 81 4.445 -6.769 -0.195 625 HG LEU 81 HG LEU 81 4.777 -3.825 -0.762 626 HD11 LEU 81 HD11 LEU 81 3.684 -5.302 1.625 627 HD12 LEU 81 HD12 LEU 81 2.732 -4.421 0.429 628 HD13 LEU 81 HD13 LEU 81 3.856 -3.554 1.474 629 HD21 LEU 81 HD21 LEU 81 6.931 -4.644 -0.138 630 HD22 LEU 81 HD22 LEU 81 6.243 -5.628 1.154 631 HD23 LEU 81 HD23 LEU 81 6.225 -3.870 1.280 632 H LYS 82 HN LYS 82 4.230 -7.135 -3.819 633 HA LYS 82 HA LYS 82 3.941 -9.840 -3.221 634 HB2 LYS 82 HB2 LYS 82 3.433 -8.097 -5.499 635 HB3 LYS 82 HB1 LYS 82 3.860 -9.730 -5.987 636 HG2 LYS 82 HG2 LYS 82 2.055 -10.646 -4.704 637 HG3 LYS 82 HG1 LYS 82 1.683 -9.063 -4.016 638 HD2 LYS 82 HD2 LYS 82 0.876 -8.246 -6.060 639 HD3 LYS 82 HD1 LYS 82 1.643 -9.540 -6.981 640 HE2 LYS 82 HE2 LYS 82 -0.586 -9.980 -5.003 641 HE3 LYS 82 HE1 LYS 82 -0.846 -9.738 -6.729 642 HZ1 LYS 82 HZ1 LYS 82 0.718 -11.683 -7.042 643 HZ2 LYS 82 HZ2 LYS 82 -0.814 -12.039 -6.423 644 HZ3 LYS 82 HZ3 LYS 82 0.522 -11.994 -5.388 645 H ALA 83 HN ALA 83 6.306 -8.211 -5.296 646 HA ALA 83 HA ALA 83 7.640 -10.550 -6.140 647 HB1 ALA 83 HB1 ALA 83 8.580 -7.697 -5.973 648 HB2 ALA 83 HB2 ALA 83 7.890 -8.514 -7.377 649 HB3 ALA 83 HB3 ALA 83 9.474 -8.993 -6.765 650 H ALA 84 HN ALA 84 8.055 -8.423 -3.372 651 HA ALA 84 HA ALA 84 10.511 -9.605 -2.499 652 HB1 ALA 84 HB1 ALA 84 8.567 -7.884 -0.964 653 HB2 ALA 84 HB2 ALA 84 9.918 -7.296 -1.933 654 HB3 ALA 84 HB3 ALA 84 10.222 -8.261 -0.487 655 H ARG 85 HN ARG 85 7.233 -10.505 -2.262 656 HA ARG 85 HA ARG 85 7.729 -12.224 0.058 657 HB2 ARG 85 HB2 ARG 85 5.299 -11.099 -1.230 658 HB3 ARG 85 HB1 ARG 85 5.142 -12.687 -0.491 659 HG2 ARG 85 HG2 ARG 85 6.133 -10.209 0.906 660 HG3 ARG 85 HG1 ARG 85 4.505 -10.880 1.034 661 HD2 ARG 85 HD2 ARG 85 5.532 -13.000 1.864 662 HD3 ARG 85 HD1 ARG 85 7.088 -12.173 1.895 663 HE ARG 85 HE ARG 85 5.042 -10.807 3.378 664 HH11 ARG 85 HH11 ARG 85 7.693 -13.220 5.196 665 HH12 ARG 85 HH12 ARG 85 7.499 -13.294 3.476 666 HH21 ARG 85 HH21 ARG 85 6.405 -11.778 6.448 667 HH22 ARG 85 HH22 ARG 85 5.224 -10.767 5.670 668 H GLU 86 HN GLU 86 8.405 -12.451 -3.010 669 HA GLU 86 HA GLU 86 7.530 -15.247 -3.252 670 HB2 GLU 86 HB2 GLU 86 7.992 -13.170 -5.378 671 HB3 GLU 86 HB1 GLU 86 7.959 -14.888 -5.748 672 HG2 GLU 86 HG2 GLU 86 5.696 -15.021 -4.785 673 HG3 GLU 86 HG1 GLU 86 5.730 -13.277 -4.537 674 H GLU 87 HN GLU 87 10.186 -13.021 -3.376 675 HA GLU 87 HA GLU 87 12.089 -14.886 -4.413 676 HB2 GLU 87 HB2 GLU 87 12.361 -12.192 -3.089 677 HB3 GLU 87 HB1 GLU 87 13.747 -13.132 -3.624 678 HG2 GLU 87 HG2 GLU 87 11.498 -12.220 -5.402 679 HG3 GLU 87 HG1 GLU 87 13.054 -11.405 -5.238 680 H1 FGV 101 H1 IP3 1 12.483 10.868 -1.570 681 H2 FGV 101 H2 IP3 1 13.348 9.388 0.198 682 H3 FGV 101 H3 IP3 1 12.230 11.476 0.881 683 H4 FGV 101 H4 IP3 1 9.689 9.799 1.066 684 H5 FGV 101 H5 IP3 1 10.407 12.123 -0.785 685 H6 FGV 101 H6 IP3 1 9.935 9.173 -1.433 686 H11 FGV 101 H11 IP3 1 15.473 8.391 -4.379 687 H12 FGV 101 H12 IP3 1 11.707 7.817 -0.565 688 H14 FGV 101 H14 IP3 1 9.106 12.251 1.180 689 H16 FGV 101 H16 IP3 1 9.468 11.188 -2.836 Start of MODEL 14 1 H1 SER 1 HT1 SER 1 4.695 4.224 11.244 2 H2 SER 1 HT2 SER 1 4.167 4.004 12.831 3 H3 SER 1 HT3 SER 1 5.792 3.764 12.443 4 HA SER 1 HA SER 1 4.286 6.294 12.511 5 HB2 SER 1 HB2 SER 1 6.414 6.813 13.975 6 HB3 SER 1 HB1 SER 1 5.057 5.923 14.663 7 HG SER 1 HG SER 1 6.711 4.644 15.162 8 H GLU 2 HN GLU 2 7.638 5.112 11.946 9 HA GLU 2 HA GLU 2 7.765 6.891 9.621 10 HB2 GLU 2 HB2 GLU 2 10.046 7.663 10.360 11 HB3 GLU 2 HB1 GLU 2 8.696 8.290 11.293 12 HG2 GLU 2 HG2 GLU 2 9.237 7.051 13.162 13 HG3 GLU 2 HG1 GLU 2 10.129 5.846 12.232 14 H ALA 3 HN ALA 3 9.360 4.325 11.480 15 HA ALA 3 HA ALA 3 11.327 3.610 9.647 16 HB1 ALA 3 HB1 ALA 3 11.531 1.558 10.816 17 HB2 ALA 3 HB2 ALA 3 9.876 1.655 11.411 18 HB3 ALA 3 HB3 ALA 3 11.093 2.781 12.009 19 H VAL 4 HN VAL 4 8.032 2.326 9.976 20 HA VAL 4 HA VAL 4 8.104 0.426 7.948 21 HB VAL 4 HB VAL 4 5.702 2.130 8.628 22 HG11 VAL 4 HG11 VAL 4 5.862 -0.705 7.611 23 HG12 VAL 4 HG12 VAL 4 5.518 0.707 6.610 24 HG13 VAL 4 HG13 VAL 4 4.401 0.241 7.892 25 HG21 VAL 4 HG21 VAL 4 6.602 1.245 10.683 26 HG22 VAL 4 HG22 VAL 4 6.731 -0.366 9.980 27 HG23 VAL 4 HG23 VAL 4 5.144 0.352 10.261 28 H ILE 5 HN ILE 5 7.410 3.897 7.752 29 HA ILE 5 HA ILE 5 6.582 3.982 5.074 30 HB ILE 5 HB ILE 5 8.122 6.158 6.499 31 HG12 ILE 5 HG12 ILE 5 5.132 5.653 6.473 32 HG13 ILE 5 HG11 ILE 5 6.196 5.392 7.850 33 HG21 ILE 5 HG21 ILE 5 6.762 7.620 4.995 34 HG22 ILE 5 HG22 ILE 5 6.222 6.163 4.162 35 HG23 ILE 5 HG23 ILE 5 7.932 6.596 4.165 36 HD11 ILE 5 HD11 ILE 5 4.975 7.474 8.064 37 HD12 ILE 5 HD12 ILE 5 5.647 8.043 6.535 38 HD13 ILE 5 HD13 ILE 5 6.707 7.770 7.918 39 H LYS 6 HN LYS 6 9.812 4.419 6.500 40 HA LYS 6 HA LYS 6 11.133 4.830 4.038 41 HB2 LYS 6 HB2 LYS 6 12.189 3.907 6.713 42 HB3 LYS 6 HB1 LYS 6 13.213 4.301 5.338 43 HG2 LYS 6 HG2 LYS 6 11.300 6.214 6.666 44 HG3 LYS 6 HG1 LYS 6 13.034 6.139 6.975 45 HD2 LYS 6 HD2 LYS 6 11.877 6.613 4.233 46 HD3 LYS 6 HD1 LYS 6 12.262 7.923 5.348 47 HE2 LYS 6 HE2 LYS 6 14.559 7.446 5.291 48 HE3 LYS 6 HE1 LYS 6 14.297 5.850 4.594 49 HZ1 LYS 6 HZ1 LYS 6 14.882 8.165 3.232 50 HZ2 LYS 6 HZ2 LYS 6 13.247 7.877 2.905 51 HZ3 LYS 6 HZ3 LYS 6 14.401 6.689 2.564 52 H VAL 7 HN VAL 7 10.551 1.908 5.962 53 HA VAL 7 HA VAL 7 12.120 0.155 4.415 54 HB VAL 7 HB VAL 7 9.637 -0.440 6.041 55 HG11 VAL 7 HG11 VAL 7 10.396 -2.776 6.031 56 HG12 VAL 7 HG12 VAL 7 11.693 -2.344 4.915 57 HG13 VAL 7 HG13 VAL 7 10.008 -2.209 4.409 58 HG21 VAL 7 HG21 VAL 7 11.405 0.460 7.403 59 HG22 VAL 7 HG22 VAL 7 12.576 -0.643 6.682 60 HG23 VAL 7 HG23 VAL 7 11.283 -1.272 7.703 61 H ILE 8 HN ILE 8 8.672 0.979 4.221 62 HA ILE 8 HA ILE 8 8.088 -0.653 1.991 63 HB ILE 8 HB ILE 8 6.722 1.855 2.985 64 HG12 ILE 8 HG12 ILE 8 6.722 -0.030 4.565 65 HG13 ILE 8 HG11 ILE 8 5.102 0.314 3.971 66 HG21 ILE 8 HG21 ILE 8 6.206 1.504 0.623 67 HG22 ILE 8 HG22 ILE 8 4.796 1.209 1.639 68 HG23 ILE 8 HG23 ILE 8 5.705 -0.151 0.976 69 HD11 ILE 8 HD11 ILE 8 5.324 -1.569 2.390 70 HD12 ILE 8 HD12 ILE 8 5.451 -2.060 4.079 71 HD13 ILE 8 HD13 ILE 8 6.904 -1.929 3.089 72 H SER 9 HN SER 9 9.202 2.683 2.300 73 HA SER 9 HA SER 9 8.961 3.439 -0.390 74 HB2 SER 9 HB2 SER 9 9.443 4.991 1.539 75 HB3 SER 9 HB1 SER 9 11.098 4.383 1.542 76 HG SER 9 HG SER 9 9.868 5.508 -0.752 77 H SER 10 HN SER 10 11.802 2.200 1.391 78 HA SER 10 HA SER 10 13.567 2.038 -0.735 79 HB2 SER 10 HB2 SER 10 13.362 0.188 1.655 80 HB3 SER 10 HB1 SER 10 14.768 0.341 0.601 81 HG SER 10 HG SER 10 14.947 1.630 2.499 82 H ALA 11 HN ALA 11 11.074 -0.241 0.260 83 HA ALA 11 HA ALA 11 11.797 -2.376 -1.399 84 HB1 ALA 11 HB1 ALA 11 10.198 -2.681 0.377 85 HB2 ALA 11 HB2 ALA 11 9.439 -3.102 -1.158 86 HB3 ALA 11 HB3 ALA 11 9.076 -1.557 -0.389 87 H CYS 12 HN CYS 12 9.290 0.120 -1.976 88 HA CYS 12 HA CYS 12 8.870 -0.705 -4.661 89 HB2 CYS 12 HB2 CYS 12 7.700 1.573 -4.844 90 HB3 CYS 12 HB1 CYS 12 7.042 0.400 -3.711 91 HG CYS 12 HG CYS 12 8.159 1.621 -1.454 92 H LYS 13 HN LYS 13 11.085 1.587 -3.193 93 HA LYS 13 HA LYS 13 11.760 2.947 -5.597 94 HB2 LYS 13 HB2 LYS 13 13.269 2.573 -3.013 95 HB3 LYS 13 HB1 LYS 13 13.868 3.558 -4.339 96 HG2 LYS 13 HG2 LYS 13 11.211 4.032 -3.018 97 HG3 LYS 13 HG1 LYS 13 12.710 4.786 -2.473 98 HD2 LYS 13 HD2 LYS 13 12.984 5.870 -4.614 99 HD3 LYS 13 HD1 LYS 13 11.571 5.033 -5.258 100 HE2 LYS 13 HE2 LYS 13 10.127 6.184 -3.717 101 HE3 LYS 13 HE1 LYS 13 11.507 6.920 -2.909 102 HZ1 LYS 13 HZ1 LYS 13 10.515 8.503 -4.372 103 HZ2 LYS 13 HZ2 LYS 13 10.592 7.435 -5.681 104 HZ3 LYS 13 HZ3 LYS 13 12.013 8.062 -5.020 105 H THR 14 HN THR 14 12.558 -0.169 -4.393 106 HA THR 14 HA THR 14 14.856 -0.374 -6.203 107 HB THR 14 HB THR 14 13.942 -2.489 -4.261 108 HG1 THR 14 HG1 THR 14 14.333 -0.644 -3.026 109 HG21 THR 14 HG21 THR 14 16.676 -1.866 -5.377 110 HG22 THR 14 HG22 THR 14 15.591 -3.087 -6.040 111 HG23 THR 14 HG23 THR 14 16.221 -3.263 -4.402 112 H TYR 15 HN TYR 15 11.647 -1.756 -5.636 113 HA TYR 15 HA TYR 15 11.996 -3.622 -7.825 114 HB2 TYR 15 HB2 TYR 15 9.754 -3.112 -5.886 115 HB3 TYR 15 HB1 TYR 15 9.554 -4.176 -7.275 116 HD1 TYR 15 HD1 TYR 15 11.185 -3.751 -4.027 117 HD2 TYR 15 HD2 TYR 15 10.721 -6.303 -7.395 118 HE1 TYR 15 HE1 TYR 15 12.214 -5.590 -2.763 119 HE2 TYR 15 HE2 TYR 15 11.744 -8.156 -6.141 120 HH TYR 15 HH TYR 15 13.025 -8.650 -4.276 121 H CYS 16 HN CYS 16 10.178 -0.653 -7.186 122 HA CYS 16 HA CYS 16 9.152 -0.710 -9.937 123 HB2 CYS 16 HB2 CYS 16 8.471 1.361 -7.855 124 HB3 CYS 16 HB1 CYS 16 7.546 0.886 -9.274 125 HG CYS 16 HG CYS 16 6.372 -1.255 -8.261 126 H GLY 17 HN GLY 17 11.333 0.997 -7.832 127 HA2 GLY 17 HA2 GLY 17 13.109 2.365 -8.415 128 HA3 GLY 17 HA1 GLY 17 12.618 2.222 -10.095 129 H LYS 18 HN LYS 18 12.007 4.065 -10.994 130 HA LYS 18 HA LYS 18 11.424 6.363 -9.377 131 HB2 LYS 18 HB2 LYS 18 11.245 7.560 -11.514 132 HB3 LYS 18 HB1 LYS 18 12.716 6.603 -11.431 133 HG2 LYS 18 HG2 LYS 18 10.808 4.938 -12.601 134 HG3 LYS 18 HG1 LYS 18 10.585 6.518 -13.354 135 HD2 LYS 18 HD2 LYS 18 13.199 5.023 -13.126 136 HD3 LYS 18 HD1 LYS 18 12.207 5.129 -14.579 137 HE2 LYS 18 HE2 LYS 18 12.518 7.556 -14.613 138 HE3 LYS 18 HE1 LYS 18 13.499 7.457 -13.153 139 HZ1 LYS 18 HZ1 LYS 18 15.015 7.558 -14.911 140 HZ2 LYS 18 HZ2 LYS 18 14.145 6.468 -15.864 141 HZ3 LYS 18 HZ3 LYS 18 14.977 5.918 -14.500 142 H THR 19 HN THR 19 9.569 3.890 -10.832 143 HA THR 19 HA THR 19 7.127 5.450 -10.948 144 HB THR 19 HB THR 19 6.840 2.551 -11.161 145 HG1 THR 19 HG1 THR 19 8.085 3.333 -13.421 146 HG21 THR 19 HG21 THR 19 5.151 4.129 -11.949 147 HG22 THR 19 HG22 THR 19 5.779 3.182 -13.298 148 HG23 THR 19 HG23 THR 19 6.319 4.844 -13.060 149 H SER 20 HN SER 20 8.197 5.460 -8.399 150 HA SER 20 HA SER 20 6.485 3.616 -6.874 151 HB2 SER 20 HB2 SER 20 8.062 4.426 -4.954 152 HB3 SER 20 HB1 SER 20 8.685 3.264 -6.131 153 HG SER 20 HG SER 20 10.002 4.744 -6.916 154 HA PRO 21 HA PRO 21 4.121 7.137 -5.582 155 HB2 PRO 21 HB2 PRO 21 3.084 6.253 -3.244 156 HB3 PRO 21 HB1 PRO 21 2.583 5.587 -4.809 157 HG2 PRO 21 HG2 PRO 21 4.427 4.449 -2.781 158 HG3 PRO 21 HG1 PRO 21 3.238 3.635 -3.815 159 HD2 PRO 21 HD2 PRO 21 5.944 3.706 -4.311 160 HD3 PRO 21 HD1 PRO 21 4.699 3.431 -5.542 161 H SER 22 HN SER 22 4.047 8.877 -4.085 162 HA SER 22 HA SER 22 6.555 9.299 -2.696 163 HB2 SER 22 HB2 SER 22 4.353 11.277 -2.446 164 HB3 SER 22 HB1 SER 22 6.061 11.526 -2.800 165 HG SER 22 HG SER 22 5.311 10.309 -4.876 166 H LYS 23 HN LYS 23 6.484 10.315 -0.464 167 HA LYS 23 HA LYS 23 5.369 8.509 1.384 168 HB2 LYS 23 HB2 LYS 23 7.329 9.771 1.962 169 HB3 LYS 23 HB1 LYS 23 6.496 11.294 1.704 170 HG2 LYS 23 HG2 LYS 23 5.090 10.884 3.637 171 HG3 LYS 23 HG1 LYS 23 5.863 9.317 3.880 172 HD2 LYS 23 HD2 LYS 23 7.442 11.867 3.831 173 HD3 LYS 23 HD1 LYS 23 6.684 11.276 5.309 174 HE2 LYS 23 HE2 LYS 23 7.965 9.272 5.256 175 HE3 LYS 23 HE1 LYS 23 8.559 9.621 3.635 176 HZ1 LYS 23 HZ1 LYS 23 10.065 10.086 5.647 177 HZ2 LYS 23 HZ2 LYS 23 9.123 11.473 5.853 178 HZ3 LYS 23 HZ3 LYS 23 9.982 11.242 4.415 179 H LYS 24 HN LYS 24 4.344 11.660 0.222 180 HA LYS 24 HA LYS 24 2.176 12.048 1.978 181 HB2 LYS 24 HB2 LYS 24 2.712 13.110 -0.795 182 HB3 LYS 24 HB1 LYS 24 1.366 13.640 0.201 183 HG2 LYS 24 HG2 LYS 24 2.895 14.474 1.876 184 HG3 LYS 24 HG1 LYS 24 4.270 13.876 0.947 185 HD2 LYS 24 HD2 LYS 24 2.415 15.638 -0.509 186 HD3 LYS 24 HD1 LYS 24 3.319 16.399 0.802 187 HE2 LYS 24 HE2 LYS 24 5.409 15.541 -0.186 188 HE3 LYS 24 HE1 LYS 24 4.483 14.867 -1.526 189 HZ1 LYS 24 HZ1 LYS 24 3.983 17.662 -1.055 190 HZ2 LYS 24 HZ2 LYS 24 4.333 16.857 -2.496 191 HZ3 LYS 24 HZ3 LYS 24 5.589 17.333 -1.469 192 H GLU 25 HN GLU 25 2.518 10.129 -0.896 193 HA GLU 25 HA GLU 25 -0.319 9.809 -1.316 194 HB2 GLU 25 HB2 GLU 25 2.044 8.350 -2.517 195 HB3 GLU 25 HB1 GLU 25 0.371 8.134 -3.016 196 HG2 GLU 25 HG2 GLU 25 0.303 10.537 -3.619 197 HG3 GLU 25 HG1 GLU 25 2.027 10.630 -3.255 198 H ILE 26 HN ILE 26 2.361 7.823 -0.115 199 HA ILE 26 HA ILE 26 0.814 5.527 0.438 200 HB ILE 26 HB ILE 26 3.380 6.335 1.816 201 HG12 ILE 26 HG12 ILE 26 3.021 4.720 -0.722 202 HG13 ILE 26 HG11 ILE 26 3.566 6.394 -0.671 203 HG21 ILE 26 HG21 ILE 26 2.235 4.488 2.898 204 HG22 ILE 26 HG22 ILE 26 3.685 3.908 2.083 205 HG23 ILE 26 HG23 ILE 26 2.100 3.639 1.360 206 HD11 ILE 26 HD11 ILE 26 5.529 5.692 0.622 207 HD12 ILE 26 HD12 ILE 26 5.439 4.895 -0.949 208 HD13 ILE 26 HD13 ILE 26 4.986 4.018 0.513 209 H GLY 27 HN GLY 27 1.688 8.340 2.409 210 HA2 GLY 27 HA2 GLY 27 0.771 7.420 4.894 211 HA3 GLY 27 HA1 GLY 27 0.851 9.109 4.412 212 H ALA 28 HN ALA 28 -0.956 9.110 2.313 213 HA ALA 28 HA ALA 28 -3.414 9.370 3.667 214 HB1 ALA 28 HB1 ALA 28 -2.911 10.686 1.696 215 HB2 ALA 28 HB2 ALA 28 -4.379 9.744 1.436 216 HB3 ALA 28 HB3 ALA 28 -2.862 9.228 0.704 217 H MET 29 HN MET 29 -1.995 6.789 1.798 218 HA MET 29 HA MET 29 -4.328 5.207 1.495 219 HB2 MET 29 HB2 MET 29 -2.219 4.979 0.148 220 HB3 MET 29 HB1 MET 29 -1.452 4.270 1.562 221 HG2 MET 29 HG2 MET 29 -3.265 2.516 1.513 222 HG3 MET 29 HG1 MET 29 -3.721 3.165 -0.061 223 HE1 MET 29 HE1 MET 29 0.145 0.897 0.963 224 HE2 MET 29 HE2 MET 29 -1.224 1.179 2.039 225 HE3 MET 29 HE3 MET 29 -0.136 2.505 1.631 226 H LEU 30 HN LEU 30 -1.709 5.272 3.870 227 HA LEU 30 HA LEU 30 -2.443 3.029 5.366 228 HB2 LEU 30 HB2 LEU 30 -0.778 5.421 5.788 229 HB3 LEU 30 HB1 LEU 30 -1.397 4.696 7.258 230 HG LEU 30 HG LEU 30 -0.390 2.538 6.591 231 HD11 LEU 30 HD11 LEU 30 -0.384 2.820 4.193 232 HD12 LEU 30 HD12 LEU 30 1.255 2.521 4.767 233 HD13 LEU 30 HD13 LEU 30 0.761 4.154 4.324 234 HD21 LEU 30 HD21 LEU 30 0.816 4.022 8.076 235 HD22 LEU 30 HD22 LEU 30 1.511 4.874 6.697 236 HD23 LEU 30 HD23 LEU 30 1.937 3.189 7.000 237 H SER 31 HN SER 31 -3.367 6.427 5.760 238 HA SER 31 HA SER 31 -4.952 6.089 8.052 239 HB2 SER 31 HB2 SER 31 -4.107 8.260 6.817 240 HB3 SER 31 HB1 SER 31 -5.659 8.142 5.988 241 HG SER 31 HG SER 31 -5.163 8.447 8.757 242 H LEU 32 HN LEU 32 -5.688 5.787 4.619 243 HA LEU 32 HA LEU 32 -8.493 5.549 4.858 244 HB2 LEU 32 HB2 LEU 32 -7.047 5.981 2.771 245 HB3 LEU 32 HB1 LEU 32 -6.849 4.242 2.705 246 HG LEU 32 HG LEU 32 -8.691 5.394 1.271 247 HD11 LEU 32 HD11 LEU 32 -8.420 3.008 1.360 248 HD12 LEU 32 HD12 LEU 32 -10.134 3.404 1.487 249 HD13 LEU 32 HD13 LEU 32 -9.225 2.939 2.925 250 HD21 LEU 32 HD21 LEU 32 -10.199 5.090 3.857 251 HD22 LEU 32 HD22 LEU 32 -10.825 5.655 2.309 252 HD23 LEU 32 HD23 LEU 32 -9.658 6.634 3.197 253 H LEU 33 HN LEU 33 -5.911 3.115 4.680 254 HA LEU 33 HA LEU 33 -7.545 0.840 4.717 255 HB2 LEU 33 HB2 LEU 33 -4.747 1.184 5.794 256 HB3 LEU 33 HB1 LEU 33 -5.531 -0.356 5.493 257 HG LEU 33 HG LEU 33 -4.989 1.690 3.341 258 HD11 LEU 33 HD11 LEU 33 -2.883 0.905 4.266 259 HD12 LEU 33 HD12 LEU 33 -3.144 0.229 2.657 260 HD13 LEU 33 HD13 LEU 33 -3.412 -0.766 4.088 261 HD21 LEU 33 HD21 LEU 33 -5.834 -1.206 3.246 262 HD22 LEU 33 HD22 LEU 33 -5.379 -0.232 1.847 263 HD23 LEU 33 HD23 LEU 33 -6.804 0.195 2.792 264 H GLN 34 HN GLN 34 -6.367 2.859 7.336 265 HA GLN 34 HA GLN 34 -7.209 1.000 9.371 266 HB2 GLN 34 HB2 GLN 34 -6.276 3.863 9.606 267 HB3 GLN 34 HB1 GLN 34 -6.537 2.763 10.956 268 HG2 GLN 34 HG2 GLN 34 -4.828 1.247 9.982 269 HG3 GLN 34 HG1 GLN 34 -4.500 2.471 8.756 270 HE21 GLN 34 HE21 GLN 34 -2.690 1.388 10.702 271 HE22 GLN 34 HE22 GLN 34 -2.144 2.706 11.679 272 H LYS 35 HN LYS 35 -8.494 4.023 8.014 273 HA LYS 35 HA LYS 35 -10.625 4.173 9.919 274 HB2 LYS 35 HB2 LYS 35 -11.547 5.944 8.517 275 HB3 LYS 35 HB1 LYS 35 -9.826 6.184 8.775 276 HG2 LYS 35 HG2 LYS 35 -9.297 5.774 6.595 277 HG3 LYS 35 HG1 LYS 35 -10.698 4.736 6.332 278 HD2 LYS 35 HD2 LYS 35 -10.984 7.688 6.816 279 HD3 LYS 35 HD1 LYS 35 -10.684 7.035 5.204 280 HE2 LYS 35 HE2 LYS 35 -12.692 5.599 5.468 281 HE3 LYS 35 HE1 LYS 35 -13.021 6.403 7.002 282 HZ1 LYS 35 HZ1 LYS 35 -13.278 7.430 4.273 283 HZ2 LYS 35 HZ2 LYS 35 -12.855 8.522 5.492 284 HZ3 LYS 35 HZ3 LYS 35 -14.294 7.645 5.606 285 H GLU 36 HN GLU 36 -10.197 2.530 6.888 286 HA GLU 36 HA GLU 36 -13.027 2.049 6.533 287 HB2 GLU 36 HB2 GLU 36 -10.557 1.122 5.090 288 HB3 GLU 36 HB1 GLU 36 -12.141 0.462 4.714 289 HG2 GLU 36 HG2 GLU 36 -11.407 3.377 4.567 290 HG3 GLU 36 HG1 GLU 36 -11.466 2.272 3.195 291 H GLY 37 HN GLY 37 -10.778 0.814 8.586 292 HA2 GLY 37 HA2 GLY 37 -10.918 -0.950 10.057 293 HA3 GLY 37 HA1 GLY 37 -12.452 -1.384 9.324 294 H LEU 38 HN LEU 38 -9.710 -1.048 7.268 295 HA LEU 38 HA LEU 38 -9.848 -3.861 6.606 296 HB2 LEU 38 HB2 LEU 38 -8.214 -1.577 5.512 297 HB3 LEU 38 HB1 LEU 38 -8.061 -3.224 4.935 298 HG LEU 38 HG LEU 38 -10.627 -1.638 4.830 299 HD11 LEU 38 HD11 LEU 38 -9.033 -0.558 3.400 300 HD12 LEU 38 HD12 LEU 38 -10.155 -1.480 2.398 301 HD13 LEU 38 HD13 LEU 38 -8.534 -2.103 2.712 302 HD21 LEU 38 HD21 LEU 38 -11.088 -3.972 4.824 303 HD22 LEU 38 HD22 LEU 38 -9.785 -4.292 3.682 304 HD23 LEU 38 HD23 LEU 38 -11.220 -3.411 3.157 305 H LEU 39 HN LEU 39 -7.453 -1.591 7.892 306 HA LEU 39 HA LEU 39 -5.996 -3.884 9.025 307 HB2 LEU 39 HB2 LEU 39 -4.761 -1.383 7.864 308 HB3 LEU 39 HB1 LEU 39 -3.884 -2.668 8.671 309 HG LEU 39 HG LEU 39 -5.356 -2.882 6.045 310 HD11 LEU 39 HD11 LEU 39 -2.414 -3.108 6.643 311 HD12 LEU 39 HD12 LEU 39 -3.198 -1.659 6.017 312 HD13 LEU 39 HD13 LEU 39 -3.191 -3.141 5.061 313 HD21 LEU 39 HD21 LEU 39 -4.310 -4.926 7.899 314 HD22 LEU 39 HD22 LEU 39 -3.909 -5.138 6.195 315 HD23 LEU 39 HD23 LEU 39 -5.595 -5.031 6.695 316 H MET 40 HN MET 40 -4.500 -3.110 10.854 317 HA MET 40 HA MET 40 -5.867 -0.955 12.346 318 HB2 MET 40 HB2 MET 40 -6.284 -3.347 13.140 319 HB3 MET 40 HB1 MET 40 -4.597 -3.365 13.632 320 HG2 MET 40 HG2 MET 40 -4.989 -1.530 15.158 321 HG3 MET 40 HG1 MET 40 -6.658 -1.405 14.610 322 HE1 MET 40 HE1 MET 40 -4.929 -4.869 17.124 323 HE2 MET 40 HE2 MET 40 -4.044 -3.412 16.667 324 HE3 MET 40 HE3 MET 40 -4.453 -4.615 15.445 325 H SER 41 HN SER 41 -2.858 -2.530 11.540 326 HA SER 41 HA SER 41 -1.427 -0.232 12.705 327 HB2 SER 41 HB2 SER 41 0.464 -2.100 12.947 328 HB3 SER 41 HB1 SER 41 -0.731 -1.825 14.214 329 HG SER 41 HG SER 41 -1.673 -3.551 12.340 330 HA PRO 42 HA PRO 42 0.472 0.257 8.730 331 HB2 PRO 42 HB2 PRO 42 3.065 0.866 9.426 332 HB3 PRO 42 HB1 PRO 42 1.724 2.022 9.498 333 HG2 PRO 42 HG2 PRO 42 2.968 0.443 11.691 334 HG3 PRO 42 HG1 PRO 42 2.396 2.123 11.688 335 HD2 PRO 42 HD2 PRO 42 0.964 0.132 12.796 336 HD3 PRO 42 HD1 PRO 42 0.194 1.516 11.993 337 H SER 43 HN SER 43 1.904 -1.901 11.057 338 HA SER 43 HA SER 43 3.682 -3.210 9.239 339 HB2 SER 43 HB2 SER 43 3.067 -4.844 11.497 340 HB3 SER 43 HB1 SER 43 4.535 -3.912 11.185 341 HG SER 43 HG SER 43 3.911 -2.643 12.724 342 H ASP 44 HN ASP 44 0.358 -3.292 9.594 343 HA ASP 44 HA ASP 44 -0.181 -6.048 9.234 344 HB2 ASP 44 HB2 ASP 44 -1.748 -3.528 8.892 345 HB3 ASP 44 HB1 ASP 44 -2.374 -5.009 8.178 346 H LEU 45 HN LEU 45 0.937 -3.601 7.145 347 HA LEU 45 HA LEU 45 0.018 -4.579 4.657 348 HB2 LEU 45 HB2 LEU 45 1.566 -2.426 5.579 349 HB3 LEU 45 HB1 LEU 45 2.605 -3.309 4.478 350 HG LEU 45 HG LEU 45 1.413 -1.503 3.335 351 HD11 LEU 45 HD11 LEU 45 1.967 -3.657 2.177 352 HD12 LEU 45 HD12 LEU 45 0.654 -2.728 1.453 353 HD13 LEU 45 HD13 LEU 45 0.292 -4.144 2.441 354 HD21 LEU 45 HD21 LEU 45 -0.928 -1.376 3.168 355 HD22 LEU 45 HD22 LEU 45 -0.600 -1.667 4.877 356 HD23 LEU 45 HD23 LEU 45 -1.145 -2.989 3.845 357 H TYR 46 HN TYR 46 2.497 -5.622 6.808 358 HA TYR 46 HA TYR 46 4.043 -7.019 4.820 359 HB2 TYR 46 HB2 TYR 46 4.104 -7.207 7.840 360 HB3 TYR 46 HB1 TYR 46 5.278 -7.937 6.754 361 HD1 TYR 46 HD1 TYR 46 5.998 -5.921 4.876 362 HD2 TYR 46 HD2 TYR 46 5.042 -5.459 8.995 363 HE1 TYR 46 HE1 TYR 46 7.346 -3.871 4.952 364 HE2 TYR 46 HE2 TYR 46 6.386 -3.400 9.079 365 HH TYR 46 HH TYR 46 8.312 -2.410 7.804 366 H SER 47 HN SER 47 1.045 -7.588 5.858 367 HA SER 47 HA SER 47 1.349 -10.491 6.112 368 HB2 SER 47 HB2 SER 47 -1.146 -8.840 6.538 369 HB3 SER 47 HB1 SER 47 -0.876 -10.516 7.026 370 HG SER 47 HG SER 47 1.045 -8.878 8.014 371 HA PRO 48 HA PRO 48 0.269 -10.441 1.718 372 HB2 PRO 48 HB2 PRO 48 0.640 -13.133 1.368 373 HB3 PRO 48 HB1 PRO 48 1.958 -11.946 1.357 374 HG2 PRO 48 HG2 PRO 48 1.067 -13.752 3.545 375 HG3 PRO 48 HG1 PRO 48 2.709 -13.315 3.037 376 HD2 PRO 48 HD2 PRO 48 1.530 -12.205 5.188 377 HD3 PRO 48 HD1 PRO 48 2.680 -11.316 4.171 378 H GLY 49 HN GLY 49 -1.072 -12.565 4.186 379 HA2 GLY 49 HA2 GLY 49 -3.196 -13.561 2.563 380 HA3 GLY 49 HA1 GLY 49 -3.083 -13.675 4.312 381 H SER 50 HN SER 50 -2.732 -10.549 4.062 382 HA SER 50 HA SER 50 -5.591 -10.054 4.355 383 HB2 SER 50 HB2 SER 50 -3.395 -8.064 4.887 384 HB3 SER 50 HB1 SER 50 -5.004 -8.146 5.607 385 HG SER 50 HG SER 50 -4.144 -9.316 7.116 386 H TRP 51 HN TRP 51 -3.433 -9.940 1.869 387 HA TRP 51 HA TRP 51 -4.033 -7.393 0.744 388 HB2 TRP 51 HB2 TRP 51 -2.899 -9.885 -0.526 389 HB3 TRP 51 HB1 TRP 51 -3.008 -8.324 -1.328 390 HD1 TRP 51 HD1 TRP 51 -2.119 -6.976 1.715 391 HE1 TRP 51 HE1 TRP 51 0.419 -6.867 2.148 392 HE3 TRP 51 HE3 TRP 51 -0.555 -10.360 -1.790 393 HZ2 TRP 51 HZ2 TRP 51 2.769 -8.052 1.126 394 HZ3 TRP 51 HZ3 TRP 51 1.853 -10.807 -1.998 395 HH2 TRP 51 HH2 TRP 51 3.478 -9.683 -0.572 396 H ASP 52 HN ASP 52 -5.470 -10.590 0.429 397 HA ASP 52 HA ASP 52 -6.987 -10.176 -1.865 398 HB2 ASP 52 HB2 ASP 52 -6.620 -12.344 -0.527 399 HB3 ASP 52 HB1 ASP 52 -8.009 -11.833 0.424 400 HA PRO 53 HA PRO 53 -10.757 -8.719 0.827 401 HB2 PRO 53 HB2 PRO 53 -10.125 -7.681 3.298 402 HB3 PRO 53 HB1 PRO 53 -10.690 -9.340 3.028 403 HG2 PRO 53 HG2 PRO 53 -7.918 -8.337 3.419 404 HG3 PRO 53 HG1 PRO 53 -8.694 -9.798 4.059 405 HD2 PRO 53 HD2 PRO 53 -7.020 -9.913 1.971 406 HD3 PRO 53 HD1 PRO 53 -8.444 -10.967 2.091 407 H ILE 54 HN ILE 54 -7.644 -7.101 1.308 408 HA ILE 54 HA ILE 54 -8.710 -4.472 1.379 409 HB ILE 54 HB ILE 54 -5.911 -5.412 0.750 410 HG12 ILE 54 HG12 ILE 54 -7.091 -4.184 3.248 411 HG13 ILE 54 HG11 ILE 54 -6.755 -5.898 3.035 412 HG21 ILE 54 HG21 ILE 54 -6.325 -3.208 -0.235 413 HG22 ILE 54 HG22 ILE 54 -5.221 -3.098 1.137 414 HG23 ILE 54 HG23 ILE 54 -6.907 -2.623 1.325 415 HD11 ILE 54 HD11 ILE 54 -4.386 -5.429 2.850 416 HD12 ILE 54 HD12 ILE 54 -5.036 -4.749 4.342 417 HD13 ILE 54 HD13 ILE 54 -4.703 -3.698 2.967 418 H THR 55 HN THR 55 -6.976 -6.230 -1.220 419 HA THR 55 HA THR 55 -7.235 -4.265 -3.180 420 HB THR 55 HB THR 55 -7.209 -7.258 -3.642 421 HG1 THR 55 HG1 THR 55 -5.073 -7.165 -3.352 422 HG21 THR 55 HG21 THR 55 -6.183 -6.669 -5.792 423 HG22 THR 55 HG22 THR 55 -6.373 -4.956 -5.416 424 HG23 THR 55 HG23 THR 55 -7.797 -5.973 -5.640 425 H ALA 56 HN ALA 56 -9.439 -6.910 -2.319 426 HA ALA 56 HA ALA 56 -11.291 -6.517 -4.397 427 HB1 ALA 56 HB1 ALA 56 -11.795 -7.591 -1.622 428 HB2 ALA 56 HB2 ALA 56 -11.239 -8.533 -3.006 429 HB3 ALA 56 HB3 ALA 56 -12.845 -7.801 -3.025 430 H ALA 57 HN ALA 57 -11.262 -5.278 -1.061 431 HA ALA 57 HA ALA 57 -13.648 -3.808 -1.244 432 HB1 ALA 57 HB1 ALA 57 -11.279 -3.269 0.537 433 HB2 ALA 57 HB2 ALA 57 -12.577 -4.413 0.873 434 HB3 ALA 57 HB3 ALA 57 -12.929 -2.688 0.777 435 H LEU 58 HN LEU 58 -10.273 -2.790 -1.723 436 HA LEU 58 HA LEU 58 -10.835 -0.074 -2.151 437 HB2 LEU 58 HB2 LEU 58 -8.550 -1.779 -3.116 438 HB3 LEU 58 HB1 LEU 58 -8.612 -0.039 -3.311 439 HG LEU 58 HG LEU 58 -8.449 -1.581 -0.721 440 HD11 LEU 58 HD11 LEU 58 -6.339 -1.312 -1.910 441 HD12 LEU 58 HD12 LEU 58 -6.363 -0.336 -0.440 442 HD13 LEU 58 HD13 LEU 58 -6.607 0.429 -2.011 443 HD21 LEU 58 HD21 LEU 58 -8.917 1.360 -1.186 444 HD22 LEU 58 HD22 LEU 58 -8.388 0.672 0.349 445 HD23 LEU 58 HD23 LEU 58 -9.958 0.230 -0.316 446 H SER 59 HN SER 59 -10.506 -2.749 -4.471 447 HA SER 59 HA SER 59 -10.918 -1.134 -6.759 448 HB2 SER 59 HB2 SER 59 -11.538 -4.080 -6.473 449 HB3 SER 59 HB1 SER 59 -11.204 -3.201 -7.965 450 HG SER 59 HG SER 59 -9.449 -4.016 -5.934 451 H GLN 60 HN GLN 60 -13.065 -2.862 -4.588 452 HA GLN 60 HA GLN 60 -15.436 -2.694 -6.064 453 HB2 GLN 60 HB2 GLN 60 -14.984 -4.041 -3.961 454 HB3 GLN 60 HB1 GLN 60 -15.232 -2.552 -3.056 455 HG2 GLN 60 HG2 GLN 60 -17.503 -2.397 -4.014 456 HG3 GLN 60 HG1 GLN 60 -17.241 -3.951 -4.808 457 HE21 GLN 60 HE21 GLN 60 -16.080 -3.117 -1.615 458 HE22 GLN 60 HE22 GLN 60 -17.088 -4.218 -0.746 459 H ARG 61 HN ARG 61 -14.252 -0.552 -3.457 460 HA ARG 61 HA ARG 61 -16.341 1.326 -3.746 461 HB2 ARG 61 HB2 ARG 61 -14.974 2.804 -2.351 462 HB3 ARG 61 HB1 ARG 61 -15.056 1.182 -1.686 463 HG2 ARG 61 HG2 ARG 61 -12.813 0.732 -2.644 464 HG3 ARG 61 HG1 ARG 61 -12.740 2.416 -3.166 465 HD2 ARG 61 HD2 ARG 61 -13.464 2.127 -0.359 466 HD3 ARG 61 HD1 ARG 61 -11.890 1.428 -0.732 467 HE ARG 61 HE ARG 61 -11.427 3.701 -1.796 468 HH11 ARG 61 HH11 ARG 61 -13.530 3.256 0.966 469 HH12 ARG 61 HH12 ARG 61 -13.265 4.854 1.586 470 HH21 ARG 61 HH21 ARG 61 -11.047 5.788 -0.987 471 HH22 ARG 61 HH22 ARG 61 -11.845 6.307 0.476 472 H ALA 62 HN ALA 62 -13.325 0.893 -5.401 473 HA ALA 62 HA ALA 62 -13.109 3.500 -6.493 474 HB1 ALA 62 HB1 ALA 62 -11.982 0.913 -7.554 475 HB2 ALA 62 HB2 ALA 62 -11.207 1.961 -6.364 476 HB3 ALA 62 HB3 ALA 62 -11.474 2.540 -8.007 477 H MET 63 HN MET 63 -14.469 0.470 -7.766 478 HA MET 63 HA MET 63 -15.244 1.724 -10.233 479 HB2 MET 63 HB2 MET 63 -16.105 -0.399 -10.885 480 HB3 MET 63 HB1 MET 63 -14.592 -0.677 -10.040 481 HG2 MET 63 HG2 MET 63 -15.808 -1.308 -8.029 482 HG3 MET 63 HG1 MET 63 -17.337 -0.994 -8.847 483 HE1 MET 63 HE1 MET 63 -14.337 -3.383 -8.354 484 HE2 MET 63 HE2 MET 63 -13.988 -2.814 -9.986 485 HE3 MET 63 HE3 MET 63 -14.464 -4.493 -9.718 486 H ILE 64 HN ILE 64 -16.782 1.182 -7.162 487 HA ILE 64 HA ILE 64 -19.450 1.540 -8.219 488 HB ILE 64 HB ILE 64 -18.434 1.320 -5.385 489 HG12 ILE 64 HG12 ILE 64 -20.083 -0.529 -7.122 490 HG13 ILE 64 HG11 ILE 64 -18.382 -0.741 -6.722 491 HG21 ILE 64 HG21 ILE 64 -20.753 1.243 -4.660 492 HG22 ILE 64 HG22 ILE 64 -21.297 1.527 -6.314 493 HG23 ILE 64 HG23 ILE 64 -20.403 2.779 -5.453 494 HD11 ILE 64 HD11 ILE 64 -20.696 -0.827 -4.798 495 HD12 ILE 64 HD12 ILE 64 -18.996 -0.973 -4.354 496 HD13 ILE 64 HD13 ILE 64 -19.749 -2.199 -5.373 497 H LEU 65 HN LEU 65 -17.287 3.462 -6.102 498 HA LEU 65 HA LEU 65 -19.127 5.701 -6.277 499 HB2 LEU 65 HB2 LEU 65 -16.676 5.109 -4.697 500 HB3 LEU 65 HB1 LEU 65 -17.107 6.790 -4.949 501 HG LEU 65 HG LEU 65 -19.469 5.948 -4.086 502 HD11 LEU 65 HD11 LEU 65 -17.531 4.008 -2.848 503 HD12 LEU 65 HD12 LEU 65 -18.882 3.614 -3.911 504 HD13 LEU 65 HD13 LEU 65 -19.186 4.279 -2.305 505 HD21 LEU 65 HD21 LEU 65 -17.097 6.532 -2.318 506 HD22 LEU 65 HD22 LEU 65 -18.786 6.631 -1.824 507 HD23 LEU 65 HD23 LEU 65 -18.166 7.718 -3.065 508 H GLY 66 HN GLY 66 -16.395 4.579 -7.958 509 HA2 GLY 66 HA2 GLY 66 -15.460 5.436 -9.889 510 HA3 GLY 66 HA1 GLY 66 -16.482 6.858 -9.709 511 H LYS 67 HN LYS 67 -13.836 5.311 -7.897 512 HA LYS 67 HA LYS 67 -12.149 7.607 -8.208 513 HB2 LYS 67 HB2 LYS 67 -11.892 8.045 -5.765 514 HB3 LYS 67 HB1 LYS 67 -13.464 8.488 -6.399 515 HG2 LYS 67 HG2 LYS 67 -14.481 7.198 -4.919 516 HG3 LYS 67 HG1 LYS 67 -13.533 5.796 -5.417 517 HD2 LYS 67 HD2 LYS 67 -13.184 6.225 -3.062 518 HD3 LYS 67 HD1 LYS 67 -11.697 6.556 -3.951 519 HE2 LYS 67 HE2 LYS 67 -13.270 8.940 -3.832 520 HE3 LYS 67 HE1 LYS 67 -13.116 8.272 -2.209 521 HZ1 LYS 67 HZ1 LYS 67 -11.266 9.621 -2.423 522 HZ2 LYS 67 HZ2 LYS 67 -10.986 9.194 -4.031 523 HZ3 LYS 67 HZ3 LYS 67 -10.629 8.095 -2.793 524 H SER 68 HN SER 68 -10.379 6.559 -8.813 525 HA SER 68 HA SER 68 -9.614 4.123 -7.362 526 HB2 SER 68 HB2 SER 68 -8.028 3.967 -9.457 527 HB3 SER 68 HB1 SER 68 -9.730 3.523 -9.592 528 HG SER 68 HG SER 68 -8.499 5.263 -11.055 529 H GLY 69 HN GLY 69 -9.075 7.025 -6.619 530 HA2 GLY 69 HA2 GLY 69 -6.381 7.665 -7.003 531 HA3 GLY 69 HA1 GLY 69 -7.372 8.229 -5.671 532 H GLU 70 HN GLU 70 -7.899 5.851 -4.359 533 HA GLU 70 HA GLU 70 -5.421 5.479 -2.976 534 HB2 GLU 70 HB2 GLU 70 -8.047 4.020 -2.646 535 HB3 GLU 70 HB1 GLU 70 -6.688 3.950 -1.535 536 HG2 GLU 70 HG2 GLU 70 -7.995 5.482 -0.482 537 HG3 GLU 70 HG1 GLU 70 -7.008 6.551 -1.474 538 H LEU 71 HN LEU 71 -7.243 3.727 -5.364 539 HA LEU 71 HA LEU 71 -6.011 1.205 -5.102 540 HB2 LEU 71 HB2 LEU 71 -7.956 2.374 -6.764 541 HB3 LEU 71 HB1 LEU 71 -6.710 1.778 -7.842 542 HG LEU 71 HG LEU 71 -8.253 0.153 -5.818 543 HD11 LEU 71 HD11 LEU 71 -9.064 -1.009 -7.852 544 HD12 LEU 71 HD12 LEU 71 -8.256 0.219 -8.828 545 HD13 LEU 71 HD13 LEU 71 -9.574 0.675 -7.749 546 HD21 LEU 71 HD21 LEU 71 -7.066 -1.783 -6.721 547 HD22 LEU 71 HD22 LEU 71 -5.944 -0.639 -5.985 548 HD23 LEU 71 HD23 LEU 71 -6.094 -0.720 -7.740 549 H LYS 72 HN LYS 72 -5.055 4.143 -6.726 550 HA LYS 72 HA LYS 72 -3.065 3.090 -8.410 551 HB2 LYS 72 HB2 LYS 72 -3.258 5.795 -7.077 552 HB3 LYS 72 HB1 LYS 72 -2.078 5.389 -8.311 553 HG2 LYS 72 HG2 LYS 72 -4.026 4.853 -9.824 554 HG3 LYS 72 HG1 LYS 72 -5.056 5.597 -8.601 555 HD2 LYS 72 HD2 LYS 72 -2.725 6.962 -9.942 556 HD3 LYS 72 HD1 LYS 72 -4.411 7.152 -10.424 557 HE2 LYS 72 HE2 LYS 72 -4.967 8.159 -8.325 558 HE3 LYS 72 HE1 LYS 72 -3.383 7.769 -7.657 559 HZ1 LYS 72 HZ1 LYS 72 -2.358 9.357 -9.029 560 HZ2 LYS 72 HZ2 LYS 72 -3.728 10.128 -8.406 561 HZ3 LYS 72 HZ3 LYS 72 -3.733 9.553 -9.994 562 H THR 73 HN THR 73 -2.806 4.518 -5.169 563 HA THR 73 HA THR 73 -0.066 4.048 -4.821 564 HB THR 73 HB THR 73 -1.961 4.046 -2.501 565 HG1 THR 73 HG1 THR 73 -1.416 6.212 -4.274 566 HG21 THR 73 HG21 THR 73 0.731 5.300 -3.051 567 HG22 THR 73 HG22 THR 73 0.383 3.951 -1.968 568 HG23 THR 73 HG23 THR 73 -0.204 5.568 -1.581 569 H TRP 74 HN TRP 74 -2.912 2.153 -3.851 570 HA TRP 74 HA TRP 74 -1.573 0.157 -2.427 571 HB2 TRP 74 HB2 TRP 74 -3.980 0.384 -2.289 572 HB3 TRP 74 HB1 TRP 74 -4.152 0.001 -4.000 573 HD1 TRP 74 HD1 TRP 74 -4.822 -2.418 -4.451 574 HE1 TRP 74 HE1 TRP 74 -4.611 -4.669 -3.205 575 HE3 TRP 74 HE3 TRP 74 -2.178 -0.843 -0.365 576 HZ2 TRP 74 HZ2 TRP 74 -3.474 -5.633 -0.825 577 HZ3 TRP 74 HZ3 TRP 74 -1.570 -2.499 1.348 578 HH2 TRP 74 HH2 TRP 74 -2.206 -4.843 1.125 579 H GLY 75 HN GLY 75 -2.459 0.289 -5.865 580 HA2 GLY 75 HA2 GLY 75 -1.575 -2.260 -6.589 581 HA3 GLY 75 HA1 GLY 75 -1.669 -0.883 -7.672 582 H LEU 76 HN LEU 76 0.241 0.743 -6.252 583 HA LEU 76 HA LEU 76 2.619 -0.279 -7.449 584 HB2 LEU 76 HB2 LEU 76 2.233 2.085 -5.610 585 HB3 LEU 76 HB1 LEU 76 3.696 1.737 -6.505 586 HG LEU 76 HG LEU 76 1.015 2.455 -7.692 587 HD11 LEU 76 HD11 LEU 76 2.178 4.342 -6.668 588 HD12 LEU 76 HD12 LEU 76 2.155 4.484 -8.425 589 HD13 LEU 76 HD13 LEU 76 3.626 3.964 -7.601 590 HD21 LEU 76 HD21 LEU 76 2.089 0.912 -9.162 591 HD22 LEU 76 HD22 LEU 76 3.637 1.733 -8.982 592 HD23 LEU 76 HD23 LEU 76 2.311 2.528 -9.830 593 H VAL 77 HN VAL 77 1.523 0.154 -4.103 594 HA VAL 77 HA VAL 77 3.921 -0.776 -2.900 595 HB VAL 77 HB VAL 77 1.125 -0.768 -1.741 596 HG11 VAL 77 HG11 VAL 77 3.796 -0.851 -0.340 597 HG12 VAL 77 HG12 VAL 77 2.696 -2.217 -0.524 598 HG13 VAL 77 HG13 VAL 77 2.210 -0.815 0.430 599 HG21 VAL 77 HG21 VAL 77 1.808 1.357 -0.689 600 HG22 VAL 77 HG22 VAL 77 1.759 1.453 -2.450 601 HG23 VAL 77 HG23 VAL 77 3.307 1.307 -1.616 602 H LEU 78 HN LEU 78 0.876 -2.326 -3.789 603 HA LEU 78 HA LEU 78 1.370 -4.860 -2.694 604 HB2 LEU 78 HB2 LEU 78 -0.846 -4.201 -3.375 605 HB3 LEU 78 HB1 LEU 78 -0.328 -3.998 -5.036 606 HG LEU 78 HG LEU 78 0.145 -6.491 -5.068 607 HD11 LEU 78 HD11 LEU 78 -1.450 -6.380 -2.505 608 HD12 LEU 78 HD12 LEU 78 0.237 -6.867 -2.667 609 HD13 LEU 78 HD13 LEU 78 -1.034 -7.846 -3.395 610 HD21 LEU 78 HD21 LEU 78 -2.211 -7.071 -5.406 611 HD22 LEU 78 HD22 LEU 78 -1.811 -5.519 -6.140 612 HD23 LEU 78 HD23 LEU 78 -2.694 -5.571 -4.615 613 H GLY 79 HN GLY 79 2.021 -3.564 -5.932 614 HA2 GLY 79 HA2 GLY 79 2.961 -5.935 -7.095 615 HA3 GLY 79 HA1 GLY 79 3.390 -4.311 -7.612 616 H ALA 80 HN ALA 80 4.703 -3.423 -5.312 617 HA ALA 80 HA ALA 80 7.278 -4.546 -5.730 618 HB1 ALA 80 HB1 ALA 80 6.290 -2.598 -3.656 619 HB2 ALA 80 HB2 ALA 80 7.053 -2.211 -5.197 620 HB3 ALA 80 HB3 ALA 80 7.985 -3.006 -3.929 621 H LEU 81 HN LEU 81 4.977 -4.710 -3.025 622 HA LEU 81 HA LEU 81 6.659 -6.253 -1.349 623 HB2 LEU 81 HB2 LEU 81 4.056 -5.110 -1.212 624 HB3 LEU 81 HB1 LEU 81 3.939 -6.795 -0.743 625 HG LEU 81 HG LEU 81 5.925 -4.885 0.479 626 HD11 LEU 81 HD11 LEU 81 3.165 -5.630 1.417 627 HD12 LEU 81 HD12 LEU 81 3.740 -4.027 0.959 628 HD13 LEU 81 HD13 LEU 81 4.378 -4.812 2.404 629 HD21 LEU 81 HD21 LEU 81 6.504 -7.231 0.704 630 HD22 LEU 81 HD22 LEU 81 4.898 -7.584 1.343 631 HD23 LEU 81 HD23 LEU 81 6.006 -6.565 2.259 632 H LYS 82 HN LYS 82 4.172 -7.100 -3.708 633 HA LYS 82 HA LYS 82 3.985 -9.838 -3.172 634 HB2 LYS 82 HB2 LYS 82 3.132 -8.033 -5.236 635 HB3 LYS 82 HB1 LYS 82 3.780 -9.490 -5.977 636 HG2 LYS 82 HG2 LYS 82 2.252 -10.855 -4.677 637 HG3 LYS 82 HG1 LYS 82 1.629 -9.413 -3.874 638 HD2 LYS 82 HD2 LYS 82 0.728 -8.579 -5.919 639 HD3 LYS 82 HD1 LYS 82 1.542 -9.836 -6.851 640 HE2 LYS 82 HE2 LYS 82 -0.506 -10.432 -4.734 641 HE3 LYS 82 HE1 LYS 82 -0.929 -10.177 -6.426 642 HZ1 LYS 82 HZ1 LYS 82 0.625 -12.008 -6.978 643 HZ2 LYS 82 HZ2 LYS 82 -0.697 -12.500 -6.049 644 HZ3 LYS 82 HZ3 LYS 82 0.817 -12.308 -5.324 645 H ALA 83 HN ALA 83 6.130 -8.064 -5.347 646 HA ALA 83 HA ALA 83 7.503 -10.323 -6.349 647 HB1 ALA 83 HB1 ALA 83 8.498 -7.481 -6.161 648 HB2 ALA 83 HB2 ALA 83 7.474 -8.109 -7.452 649 HB3 ALA 83 HB3 ALA 83 9.102 -8.745 -7.231 650 H ALA 84 HN ALA 84 8.065 -8.174 -3.611 651 HA ALA 84 HA ALA 84 10.628 -9.090 -2.917 652 HB1 ALA 84 HB1 ALA 84 8.485 -7.947 -1.130 653 HB2 ALA 84 HB2 ALA 84 9.685 -7.026 -2.036 654 HB3 ALA 84 HB3 ALA 84 10.196 -8.093 -0.728 655 H ARG 85 HN ARG 85 7.428 -10.316 -2.185 656 HA ARG 85 HA ARG 85 8.441 -12.253 -0.303 657 HB2 ARG 85 HB2 ARG 85 5.732 -11.557 -1.356 658 HB3 ARG 85 HB1 ARG 85 5.980 -13.099 -0.547 659 HG2 ARG 85 HG2 ARG 85 7.182 -11.310 1.159 660 HG3 ARG 85 HG1 ARG 85 5.776 -10.423 0.566 661 HD2 ARG 85 HD2 ARG 85 4.281 -12.009 1.376 662 HD3 ARG 85 HD1 ARG 85 5.524 -13.253 1.503 663 HE ARG 85 HE ARG 85 5.812 -10.934 3.241 664 HH11 ARG 85 HH11 ARG 85 4.860 -14.602 4.576 665 HH12 ARG 85 HH12 ARG 85 4.831 -14.273 2.873 666 HH21 ARG 85 HH21 ARG 85 5.426 -12.948 6.064 667 HH22 ARG 85 HH22 ARG 85 5.827 -11.360 5.487 668 H GLU 86 HN GLU 86 8.263 -12.045 -3.636 669 HA GLU 86 HA GLU 86 7.908 -14.896 -4.080 670 HB2 GLU 86 HB2 GLU 86 8.371 -12.546 -5.918 671 HB3 GLU 86 HB1 GLU 86 8.434 -14.204 -6.499 672 HG2 GLU 86 HG2 GLU 86 6.134 -14.551 -5.728 673 HG3 GLU 86 HG1 GLU 86 6.077 -12.876 -5.185 674 H GLU 87 HN GLU 87 10.295 -12.937 -3.045 675 HA GLU 87 HA GLU 87 12.515 -14.227 -4.400 676 HB2 GLU 87 HB2 GLU 87 12.550 -12.209 -2.152 677 HB3 GLU 87 HB1 GLU 87 13.917 -12.691 -3.145 678 HG2 GLU 87 HG2 GLU 87 11.519 -11.543 -4.476 679 HG3 GLU 87 HG1 GLU 87 12.602 -10.465 -3.595 680 H1 FGV 101 H1 IP3 1 12.779 10.443 -1.108 681 H2 FGV 101 H2 IP3 1 13.810 9.087 0.682 682 H3 FGV 101 H3 IP3 1 12.666 11.170 1.338 683 H4 FGV 101 H4 IP3 1 10.188 9.416 1.768 684 H5 FGV 101 H5 IP3 1 10.717 11.671 -0.250 685 H6 FGV 101 H6 IP3 1 10.312 8.668 -0.716 686 H11 FGV 101 H11 IP3 1 15.656 7.975 -3.972 687 H12 FGV 101 H12 IP3 1 11.946 7.443 0.127 688 H14 FGV 101 H14 IP3 1 9.796 12.060 1.743 689 H16 FGV 101 H16 IP3 1 10.051 10.883 -2.170 Start of MODEL 15 1 H1 SER 1 HT1 SER 1 2.664 5.597 8.811 2 H2 SER 1 HT2 SER 1 1.833 4.655 9.932 3 H3 SER 1 HT3 SER 1 3.443 4.306 9.576 4 HA SER 1 HA SER 1 2.373 6.633 11.027 5 HB2 SER 1 HB2 SER 1 4.207 5.685 12.650 6 HB3 SER 1 HB1 SER 1 2.631 4.903 12.558 7 HG SER 1 HG SER 1 4.668 3.565 12.378 8 H GLU 2 HN GLU 2 5.671 5.402 10.987 9 HA GLU 2 HA GLU 2 6.520 7.733 9.435 10 HB2 GLU 2 HB2 GLU 2 8.482 7.839 11.186 11 HB3 GLU 2 HB1 GLU 2 6.964 8.673 11.472 12 HG2 GLU 2 HG2 GLU 2 6.231 7.006 12.991 13 HG3 GLU 2 HG1 GLU 2 7.554 5.930 12.547 14 H ALA 3 HN ALA 3 8.429 5.393 11.293 15 HA ALA 3 HA ALA 3 10.356 4.987 9.346 16 HB1 ALA 3 HB1 ALA 3 11.160 3.202 10.674 17 HB2 ALA 3 HB2 ALA 3 9.578 2.940 11.409 18 HB3 ALA 3 HB3 ALA 3 10.493 4.402 11.779 19 H VAL 4 HN VAL 4 7.378 3.174 9.928 20 HA VAL 4 HA VAL 4 7.833 1.020 8.229 21 HB VAL 4 HB VAL 4 5.120 2.277 8.588 22 HG11 VAL 4 HG11 VAL 4 6.001 -0.590 8.256 23 HG12 VAL 4 HG12 VAL 4 5.273 0.423 7.009 24 HG13 VAL 4 HG13 VAL 4 4.338 -0.027 8.434 25 HG21 VAL 4 HG21 VAL 4 4.915 0.837 10.618 26 HG22 VAL 4 HG22 VAL 4 6.045 2.179 10.790 27 HG23 VAL 4 HG23 VAL 4 6.651 0.545 10.521 28 H ILE 5 HN ILE 5 6.856 4.303 7.489 29 HA ILE 5 HA ILE 5 5.947 3.783 4.842 30 HB ILE 5 HB ILE 5 7.064 6.413 5.816 31 HG12 ILE 5 HG12 ILE 5 4.214 5.417 6.032 32 HG13 ILE 5 HG11 ILE 5 5.339 5.548 7.381 33 HG21 ILE 5 HG21 ILE 5 5.140 5.644 3.622 34 HG22 ILE 5 HG22 ILE 5 6.726 6.393 3.448 35 HG23 ILE 5 HG23 ILE 5 5.396 7.302 4.161 36 HD11 ILE 5 HD11 ILE 5 3.872 7.429 7.400 37 HD12 ILE 5 HD12 ILE 5 4.242 7.792 5.715 38 HD13 ILE 5 HD13 ILE 5 5.486 7.980 6.951 39 H LYS 6 HN LYS 6 9.022 4.832 6.236 40 HA LYS 6 HA LYS 6 10.406 5.236 3.824 41 HB2 LYS 6 HB2 LYS 6 11.328 4.596 6.620 42 HB3 LYS 6 HB1 LYS 6 12.469 4.786 5.294 43 HG2 LYS 6 HG2 LYS 6 10.484 6.884 6.163 44 HG3 LYS 6 HG1 LYS 6 12.180 6.833 6.648 45 HD2 LYS 6 HD2 LYS 6 11.202 7.024 3.795 46 HD3 LYS 6 HD1 LYS 6 11.746 8.390 4.767 47 HE2 LYS 6 HE2 LYS 6 13.954 7.292 5.005 48 HE3 LYS 6 HE1 LYS 6 13.392 6.000 3.945 49 HZ1 LYS 6 HZ1 LYS 6 12.882 8.082 2.408 50 HZ2 LYS 6 HZ2 LYS 6 14.387 7.308 2.411 51 HZ3 LYS 6 HZ3 LYS 6 14.168 8.735 3.296 52 H VAL 7 HN VAL 7 9.803 2.362 5.730 53 HA VAL 7 HA VAL 7 11.614 0.623 4.451 54 HB VAL 7 HB VAL 7 8.939 -0.044 5.708 55 HG11 VAL 7 HG11 VAL 7 9.865 -2.295 5.989 56 HG12 VAL 7 HG12 VAL 7 11.319 -1.802 5.125 57 HG13 VAL 7 HG13 VAL 7 9.766 -1.841 4.290 58 HG21 VAL 7 HG21 VAL 7 10.457 1.141 7.242 59 HG22 VAL 7 HG22 VAL 7 11.694 -0.078 6.940 60 HG23 VAL 7 HG23 VAL 7 10.186 -0.530 7.736 61 H ILE 8 HN ILE 8 8.235 1.447 3.822 62 HA ILE 8 HA ILE 8 7.886 -0.286 1.608 63 HB ILE 8 HB ILE 8 6.410 2.254 2.324 64 HG12 ILE 8 HG12 ILE 8 6.330 0.475 4.048 65 HG13 ILE 8 HG11 ILE 8 4.755 0.794 3.335 66 HG21 ILE 8 HG21 ILE 8 6.069 1.730 -0.013 67 HG22 ILE 8 HG22 ILE 8 4.604 1.379 0.902 68 HG23 ILE 8 HG23 ILE 8 5.661 0.061 0.395 69 HD11 ILE 8 HD11 ILE 8 4.942 -1.199 1.975 70 HD12 ILE 8 HD12 ILE 8 5.161 -1.588 3.681 71 HD13 ILE 8 HD13 ILE 8 6.559 -1.503 2.610 72 H SER 9 HN SER 9 8.831 3.117 1.905 73 HA SER 9 HA SER 9 8.872 3.780 -0.811 74 HB2 SER 9 HB2 SER 9 10.768 4.847 1.298 75 HB3 SER 9 HB1 SER 9 10.262 5.652 -0.187 76 HG SER 9 HG SER 9 8.043 5.117 1.017 77 H SER 10 HN SER 10 11.463 2.471 1.243 78 HA SER 10 HA SER 10 13.441 2.427 -0.770 79 HB2 SER 10 HB2 SER 10 13.294 0.562 1.604 80 HB3 SER 10 HB1 SER 10 14.736 1.097 0.742 81 HG SER 10 HG SER 10 13.062 2.565 2.488 82 H ALA 11 HN ALA 11 10.906 0.186 0.095 83 HA ALA 11 HA ALA 11 11.906 -2.049 -1.342 84 HB1 ALA 11 HB1 ALA 11 10.260 -2.281 0.452 85 HB2 ALA 11 HB2 ALA 11 9.674 -2.990 -1.051 86 HB3 ALA 11 HB3 ALA 11 9.070 -1.418 -0.524 87 H CYS 12 HN CYS 12 9.163 0.108 -2.112 88 HA CYS 12 HA CYS 12 8.789 -0.869 -4.712 89 HB2 CYS 12 HB2 CYS 12 7.549 1.300 -5.088 90 HB3 CYS 12 HB1 CYS 12 7.007 0.331 -3.723 91 HG CYS 12 HG CYS 12 8.199 1.906 -1.784 92 H LYS 13 HN LYS 13 11.033 1.490 -3.483 93 HA LYS 13 HA LYS 13 11.675 2.793 -5.890 94 HB2 LYS 13 HB2 LYS 13 12.349 3.615 -3.668 95 HB3 LYS 13 HB1 LYS 13 13.427 2.240 -3.484 96 HG2 LYS 13 HG2 LYS 13 14.722 3.048 -5.430 97 HG3 LYS 13 HG1 LYS 13 13.674 4.464 -5.496 98 HD2 LYS 13 HD2 LYS 13 14.373 5.113 -3.253 99 HD3 LYS 13 HD1 LYS 13 15.379 3.666 -3.134 100 HE2 LYS 13 HE2 LYS 13 16.670 4.480 -5.102 101 HE3 LYS 13 HE1 LYS 13 15.726 5.968 -5.053 102 HZ1 LYS 13 HZ1 LYS 13 17.806 6.281 -3.924 103 HZ2 LYS 13 HZ2 LYS 13 17.524 4.956 -2.916 104 HZ3 LYS 13 HZ3 LYS 13 16.556 6.339 -2.788 105 H THR 14 HN THR 14 12.624 -0.304 -4.591 106 HA THR 14 HA THR 14 14.707 -0.627 -6.613 107 HB THR 14 HB THR 14 14.009 -2.788 -4.679 108 HG1 THR 14 HG1 THR 14 14.118 -1.182 -3.203 109 HG21 THR 14 HG21 THR 14 16.619 -1.697 -5.738 110 HG22 THR 14 HG22 THR 14 15.786 -3.136 -6.327 111 HG23 THR 14 HG23 THR 14 16.437 -3.105 -4.689 112 H TYR 15 HN TYR 15 11.434 -1.656 -5.991 113 HA TYR 15 HA TYR 15 11.674 -3.804 -7.958 114 HB2 TYR 15 HB2 TYR 15 9.461 -3.041 -6.061 115 HB3 TYR 15 HB1 TYR 15 9.283 -4.294 -7.287 116 HD1 TYR 15 HD1 TYR 15 10.328 -3.578 -3.969 117 HD2 TYR 15 HD2 TYR 15 11.010 -6.215 -7.234 118 HE1 TYR 15 HE1 TYR 15 11.332 -5.211 -2.429 119 HE2 TYR 15 HE2 TYR 15 12.013 -7.857 -5.706 120 HH TYR 15 HH TYR 15 11.870 -7.476 -2.251 121 H CYS 16 HN CYS 16 10.093 -0.690 -7.545 122 HA CYS 16 HA CYS 16 8.920 -0.962 -10.224 123 HB2 CYS 16 HB2 CYS 16 8.395 1.255 -8.247 124 HB3 CYS 16 HB1 CYS 16 7.433 0.811 -9.654 125 HG CYS 16 HG CYS 16 6.844 -1.777 -8.440 126 H GLY 17 HN GLY 17 10.926 1.210 -8.270 127 HA2 GLY 17 HA2 GLY 17 12.910 2.168 -9.276 128 HA3 GLY 17 HA1 GLY 17 12.020 2.281 -10.791 129 H LYS 18 HN LYS 18 11.649 4.357 -11.274 130 HA LYS 18 HA LYS 18 11.315 6.285 -9.120 131 HB2 LYS 18 HB2 LYS 18 11.441 7.986 -10.863 132 HB3 LYS 18 HB1 LYS 18 12.788 6.866 -10.985 133 HG2 LYS 18 HG2 LYS 18 11.601 5.698 -12.814 134 HG3 LYS 18 HG1 LYS 18 10.328 6.913 -12.721 135 HD2 LYS 18 HD2 LYS 18 11.863 8.658 -13.330 136 HD3 LYS 18 HD1 LYS 18 13.229 7.550 -13.231 137 HE2 LYS 18 HE2 LYS 18 12.206 6.225 -15.076 138 HE3 LYS 18 HE1 LYS 18 10.974 7.475 -15.229 139 HZ1 LYS 18 HZ1 LYS 18 12.913 7.651 -16.788 140 HZ2 LYS 18 HZ2 LYS 18 13.875 8.041 -15.453 141 HZ3 LYS 18 HZ3 LYS 18 12.580 9.044 -15.889 142 H THR 19 HN THR 19 9.326 4.212 -10.597 143 HA THR 19 HA THR 19 7.058 5.991 -10.974 144 HB THR 19 HB THR 19 6.037 3.483 -11.231 145 HG1 THR 19 HG1 THR 19 7.701 2.281 -12.345 146 HG21 THR 19 HG21 THR 19 5.850 5.237 -12.899 147 HG22 THR 19 HG22 THR 19 6.430 3.755 -13.662 148 HG23 THR 19 HG23 THR 19 7.555 5.065 -13.312 149 H SER 20 HN SER 20 8.519 4.967 -8.372 150 HA SER 20 HA SER 20 6.499 3.678 -6.842 151 HB2 SER 20 HB2 SER 20 8.147 4.589 -4.956 152 HB3 SER 20 HB1 SER 20 8.596 3.233 -5.990 153 HG SER 20 HG SER 20 10.115 4.410 -6.846 154 HA PRO 21 HA PRO 21 4.240 7.250 -5.542 155 HB2 PRO 21 HB2 PRO 21 3.155 6.366 -3.228 156 HB3 PRO 21 HB1 PRO 21 2.656 5.722 -4.804 157 HG2 PRO 21 HG2 PRO 21 4.456 4.526 -2.771 158 HG3 PRO 21 HG1 PRO 21 3.261 3.748 -3.827 159 HD2 PRO 21 HD2 PRO 21 5.980 3.780 -4.291 160 HD3 PRO 21 HD1 PRO 21 4.740 3.524 -5.533 161 H SER 22 HN SER 22 4.230 8.967 -4.031 162 HA SER 22 HA SER 22 6.752 9.328 -2.688 163 HB2 SER 22 HB2 SER 22 5.718 11.562 -2.057 164 HB3 SER 22 HB1 SER 22 5.876 11.255 -3.785 165 HG SER 22 HG SER 22 3.637 10.580 -3.743 166 H LYS 23 HN LYS 23 6.822 10.155 -0.425 167 HA LYS 23 HA LYS 23 5.854 8.267 1.379 168 HB2 LYS 23 HB2 LYS 23 7.791 9.674 1.844 169 HB3 LYS 23 HB1 LYS 23 6.774 11.104 1.892 170 HG2 LYS 23 HG2 LYS 23 5.587 10.120 3.843 171 HG3 LYS 23 HG1 LYS 23 6.766 8.805 3.832 172 HD2 LYS 23 HD2 LYS 23 7.603 11.686 3.980 173 HD3 LYS 23 HD1 LYS 23 7.190 10.758 5.422 174 HE2 LYS 23 HE2 LYS 23 8.960 9.225 5.055 175 HE3 LYS 23 HE1 LYS 23 9.243 9.837 3.427 176 HZ1 LYS 23 HZ1 LYS 23 9.593 11.513 5.845 177 HZ2 LYS 23 HZ2 LYS 23 10.132 11.829 4.273 178 HZ3 LYS 23 HZ3 LYS 23 10.850 10.596 5.179 179 H LYS 24 HN LYS 24 4.541 11.379 0.417 180 HA LYS 24 HA LYS 24 2.522 11.590 2.367 181 HB2 LYS 24 HB2 LYS 24 2.830 12.777 -0.390 182 HB3 LYS 24 HB1 LYS 24 1.460 13.153 0.650 183 HG2 LYS 24 HG2 LYS 24 2.850 14.167 2.272 184 HG3 LYS 24 HG1 LYS 24 4.314 13.545 1.508 185 HD2 LYS 24 HD2 LYS 24 2.469 15.358 0.002 186 HD3 LYS 24 HD1 LYS 24 3.637 16.024 1.145 187 HE2 LYS 24 HE2 LYS 24 5.449 14.903 -0.069 188 HE3 LYS 24 HE1 LYS 24 4.275 14.259 -1.216 189 HZ1 LYS 24 HZ1 LYS 24 3.700 16.569 -1.793 190 HZ2 LYS 24 HZ2 LYS 24 5.312 16.196 -2.137 191 HZ3 LYS 24 HZ3 LYS 24 4.931 17.121 -0.776 192 H GLU 25 HN GLU 25 2.591 10.058 -0.809 193 HA GLU 25 HA GLU 25 -0.190 9.508 -0.952 194 HB2 GLU 25 HB2 GLU 25 2.181 8.242 -2.326 195 HB3 GLU 25 HB1 GLU 25 0.511 7.804 -2.669 196 HG2 GLU 25 HG2 GLU 25 0.027 9.984 -3.488 197 HG3 GLU 25 HG1 GLU 25 1.589 10.596 -2.942 198 H ILE 26 HN ILE 26 2.615 7.597 0.075 199 HA ILE 26 HA ILE 26 1.214 5.229 0.664 200 HB ILE 26 HB ILE 26 3.754 6.212 1.975 201 HG12 ILE 26 HG12 ILE 26 3.475 4.457 -0.473 202 HG13 ILE 26 HG11 ILE 26 3.798 6.186 -0.552 203 HG21 ILE 26 HG21 ILE 26 2.748 4.333 3.137 204 HG22 ILE 26 HG22 ILE 26 4.212 3.815 2.299 205 HG23 ILE 26 HG23 ILE 26 2.627 3.435 1.624 206 HD11 ILE 26 HD11 ILE 26 5.882 5.841 0.674 207 HD12 ILE 26 HD12 ILE 26 5.834 4.896 -0.812 208 HD13 ILE 26 HD13 ILE 26 5.555 4.111 0.742 209 H GLY 27 HN GLY 27 2.149 7.974 2.707 210 HA2 GLY 27 HA2 GLY 27 1.197 7.000 5.146 211 HA3 GLY 27 HA1 GLY 27 1.356 8.701 4.731 212 H ALA 28 HN ALA 28 -0.466 8.944 2.696 213 HA ALA 28 HA ALA 28 -2.899 9.183 4.107 214 HB1 ALA 28 HB1 ALA 28 -2.329 10.661 2.262 215 HB2 ALA 28 HB2 ALA 28 -3.852 9.834 1.935 216 HB3 ALA 28 HB3 ALA 28 -2.373 9.302 1.139 217 H MET 29 HN MET 29 -1.759 6.879 1.675 218 HA MET 29 HA MET 29 -4.109 5.399 1.333 219 HB2 MET 29 HB2 MET 29 -2.197 5.161 -0.154 220 HB3 MET 29 HB1 MET 29 -1.220 4.522 1.159 221 HG2 MET 29 HG2 MET 29 -3.099 2.704 1.265 222 HG3 MET 29 HG1 MET 29 -3.394 3.215 -0.397 223 HE1 MET 29 HE1 MET 29 0.449 1.237 1.202 224 HE2 MET 29 HE2 MET 29 -1.032 1.517 2.121 225 HE3 MET 29 HE3 MET 29 0.005 2.874 1.686 226 H LEU 30 HN LEU 30 -1.414 4.961 3.584 227 HA LEU 30 HA LEU 30 -2.359 2.608 4.805 228 HB2 LEU 30 HB2 LEU 30 -0.033 3.662 4.904 229 HB3 LEU 30 HB1 LEU 30 -0.676 4.698 6.162 230 HG LEU 30 HG LEU 30 -1.212 2.688 7.509 231 HD11 LEU 30 HD11 LEU 30 -0.161 0.549 6.860 232 HD12 LEU 30 HD12 LEU 30 0.214 1.245 5.283 233 HD13 LEU 30 HD13 LEU 30 -1.466 1.039 5.781 234 HD21 LEU 30 HD21 LEU 30 0.795 3.794 8.044 235 HD22 LEU 30 HD22 LEU 30 1.618 3.151 6.625 236 HD23 LEU 30 HD23 LEU 30 1.196 2.079 7.961 237 H SER 31 HN SER 31 -2.695 6.023 5.727 238 HA SER 31 HA SER 31 -4.092 5.641 8.121 239 HB2 SER 31 HB2 SER 31 -4.370 7.942 6.167 240 HB3 SER 31 HB1 SER 31 -4.825 7.968 7.871 241 HG SER 31 HG SER 31 -2.235 7.813 6.729 242 H LEU 32 HN LEU 32 -5.176 5.717 4.792 243 HA LEU 32 HA LEU 32 -7.958 5.795 5.301 244 HB2 LEU 32 HB2 LEU 32 -6.689 6.273 3.116 245 HB3 LEU 32 HB1 LEU 32 -6.657 4.539 2.891 246 HG LEU 32 HG LEU 32 -8.497 5.965 1.732 247 HD11 LEU 32 HD11 LEU 32 -8.438 3.569 1.597 248 HD12 LEU 32 HD12 LEU 32 -10.091 4.085 1.931 249 HD13 LEU 32 HD13 LEU 32 -9.093 3.422 3.225 250 HD21 LEU 32 HD21 LEU 32 -9.800 5.550 4.412 251 HD22 LEU 32 HD22 LEU 32 -10.503 6.312 2.984 252 HD23 LEU 32 HD23 LEU 32 -9.176 7.097 3.844 253 H LEU 33 HN LEU 33 -5.680 3.139 4.693 254 HA LEU 33 HA LEU 33 -7.530 1.037 4.722 255 HB2 LEU 33 HB2 LEU 33 -4.645 0.989 5.613 256 HB3 LEU 33 HB1 LEU 33 -5.612 -0.418 5.215 257 HG LEU 33 HG LEU 33 -4.903 1.762 3.250 258 HD11 LEU 33 HD11 LEU 33 -3.339 0.113 2.307 259 HD12 LEU 33 HD12 LEU 33 -3.677 -0.958 3.667 260 HD13 LEU 33 HD13 LEU 33 -2.899 0.599 3.946 261 HD21 LEU 33 HD21 LEU 33 -6.194 -0.943 2.922 262 HD22 LEU 33 HD22 LEU 33 -5.632 0.068 1.592 263 HD23 LEU 33 HD23 LEU 33 -6.936 0.634 2.636 264 H GLN 34 HN GLN 34 -5.761 2.603 7.334 265 HA GLN 34 HA GLN 34 -6.601 0.795 9.360 266 HB2 GLN 34 HB2 GLN 34 -5.440 3.574 9.464 267 HB3 GLN 34 HB1 GLN 34 -5.827 2.652 10.907 268 HG2 GLN 34 HG2 GLN 34 -4.281 0.900 10.212 269 HG3 GLN 34 HG1 GLN 34 -3.895 1.819 8.758 270 HE21 GLN 34 HE21 GLN 34 -3.522 1.607 12.201 271 HE22 GLN 34 HE22 GLN 34 -2.264 2.781 12.339 272 H LYS 35 HN LYS 35 -7.845 3.927 8.236 273 HA LYS 35 HA LYS 35 -9.773 4.163 10.311 274 HB2 LYS 35 HB2 LYS 35 -10.363 6.149 9.363 275 HB3 LYS 35 HB1 LYS 35 -8.799 5.940 8.592 276 HG2 LYS 35 HG2 LYS 35 -9.711 5.471 6.542 277 HG3 LYS 35 HG1 LYS 35 -11.225 4.881 7.226 278 HD2 LYS 35 HD2 LYS 35 -11.587 7.312 7.990 279 HD3 LYS 35 HD1 LYS 35 -10.314 7.714 6.835 280 HE2 LYS 35 HE2 LYS 35 -11.589 6.805 5.021 281 HE3 LYS 35 HE1 LYS 35 -12.801 6.162 6.130 282 HZ1 LYS 35 HZ1 LYS 35 -12.236 9.022 5.570 283 HZ2 LYS 35 HZ2 LYS 35 -13.278 8.483 6.785 284 HZ3 LYS 35 HZ3 LYS 35 -13.635 8.159 5.165 285 H GLU 36 HN GLU 36 -9.796 2.559 7.214 286 HA GLU 36 HA GLU 36 -12.643 2.250 7.101 287 HB2 GLU 36 HB2 GLU 36 -10.414 0.851 5.619 288 HB3 GLU 36 HB1 GLU 36 -12.121 0.584 5.301 289 HG2 GLU 36 HG2 GLU 36 -10.773 3.261 5.081 290 HG3 GLU 36 HG1 GLU 36 -10.991 2.151 3.730 291 H GLY 37 HN GLY 37 -10.154 0.712 8.822 292 HA2 GLY 37 HA2 GLY 37 -10.484 -0.857 10.529 293 HA3 GLY 37 HA1 GLY 37 -12.046 -1.265 9.834 294 H LEU 38 HN LEU 38 -9.623 -1.128 7.506 295 HA LEU 38 HA LEU 38 -9.790 -3.931 6.990 296 HB2 LEU 38 HB2 LEU 38 -7.976 -1.808 5.835 297 HB3 LEU 38 HB1 LEU 38 -8.104 -3.447 5.225 298 HG LEU 38 HG LEU 38 -10.579 -1.777 5.382 299 HD11 LEU 38 HD11 LEU 38 -8.965 -0.300 4.336 300 HD12 LEU 38 HD12 LEU 38 -10.112 -0.897 3.139 301 HD13 LEU 38 HD13 LEU 38 -8.487 -1.579 3.221 302 HD21 LEU 38 HD21 LEU 38 -10.756 -4.126 4.761 303 HD22 LEU 38 HD22 LEU 38 -9.587 -3.885 3.465 304 HD23 LEU 38 HD23 LEU 38 -11.158 -3.088 3.394 305 H LEU 39 HN LEU 39 -7.346 -1.770 8.288 306 HA LEU 39 HA LEU 39 -5.964 -4.061 9.475 307 HB2 LEU 39 HB2 LEU 39 -4.569 -1.779 8.064 308 HB3 LEU 39 HB1 LEU 39 -3.786 -3.096 8.914 309 HG LEU 39 HG LEU 39 -5.513 -3.491 6.474 310 HD11 LEU 39 HD11 LEU 39 -2.503 -3.381 6.627 311 HD12 LEU 39 HD12 LEU 39 -3.526 -2.091 5.988 312 HD13 LEU 39 HD13 LEU 39 -3.482 -3.665 5.189 313 HD21 LEU 39 HD21 LEU 39 -5.198 -5.671 6.769 314 HD22 LEU 39 HD22 LEU 39 -4.578 -5.289 8.375 315 HD23 LEU 39 HD23 LEU 39 -3.467 -5.457 7.016 316 H MET 40 HN MET 40 -5.186 -3.648 11.518 317 HA MET 40 HA MET 40 -6.132 -1.182 12.722 318 HB2 MET 40 HB2 MET 40 -6.553 -3.388 13.796 319 HB3 MET 40 HB1 MET 40 -4.820 -3.559 14.045 320 HG2 MET 40 HG2 MET 40 -4.876 -1.475 15.395 321 HG3 MET 40 HG1 MET 40 -6.633 -1.491 15.249 322 HE1 MET 40 HE1 MET 40 -4.019 -4.477 15.826 323 HE2 MET 40 HE2 MET 40 -4.070 -4.512 17.589 324 HE3 MET 40 HE3 MET 40 -3.476 -3.078 16.754 325 H SER 41 HN SER 41 -3.066 -2.920 12.321 326 HA SER 41 HA SER 41 -1.652 -0.518 13.268 327 HB2 SER 41 HB2 SER 41 0.218 -2.559 13.173 328 HB3 SER 41 HB1 SER 41 -0.631 -2.004 14.616 329 HG SER 41 HG SER 41 -1.741 -3.968 12.889 330 HA PRO 42 HA PRO 42 0.045 0.133 9.252 331 HB2 PRO 42 HB2 PRO 42 2.486 1.174 9.863 332 HB3 PRO 42 HB1 PRO 42 0.974 2.077 10.061 333 HG2 PRO 42 HG2 PRO 42 2.612 0.672 12.100 334 HG3 PRO 42 HG1 PRO 42 1.755 2.220 12.209 335 HD2 PRO 42 HD2 PRO 42 0.781 -0.084 13.273 336 HD3 PRO 42 HD1 PRO 42 -0.252 1.235 12.690 337 H SER 43 HN SER 43 1.459 -2.069 11.423 338 HA SER 43 HA SER 43 3.455 -2.995 9.500 339 HB2 SER 43 HB2 SER 43 3.709 -4.650 11.637 340 HB3 SER 43 HB1 SER 43 4.533 -3.094 11.503 341 HG SER 43 HG SER 43 2.648 -3.873 13.264 342 H ASP 44 HN ASP 44 0.342 -3.368 9.601 343 HA ASP 44 HA ASP 44 0.113 -6.258 9.652 344 HB2 ASP 44 HB2 ASP 44 -1.806 -3.984 9.332 345 HB3 ASP 44 HB1 ASP 44 -2.278 -5.580 8.762 346 H LEU 45 HN LEU 45 1.042 -3.943 7.442 347 HA LEU 45 HA LEU 45 -0.037 -4.940 5.030 348 HB2 LEU 45 HB2 LEU 45 1.674 -2.849 5.830 349 HB3 LEU 45 HB1 LEU 45 2.579 -3.790 4.659 350 HG LEU 45 HG LEU 45 1.459 -1.985 3.529 351 HD11 LEU 45 HD11 LEU 45 1.626 -4.025 2.267 352 HD12 LEU 45 HD12 LEU 45 0.089 -3.239 1.904 353 HD13 LEU 45 HD13 LEU 45 0.134 -4.633 2.982 354 HD21 LEU 45 HD21 LEU 45 -0.310 -1.367 4.908 355 HD22 LEU 45 HD22 LEU 45 -0.965 -3.006 4.958 356 HD23 LEU 45 HD23 LEU 45 -1.101 -2.047 3.485 357 H TYR 46 HN TYR 46 2.316 -6.210 7.111 358 HA TYR 46 HA TYR 46 3.859 -7.598 5.115 359 HB2 TYR 46 HB2 TYR 46 3.760 -7.852 8.124 360 HB3 TYR 46 HB1 TYR 46 4.855 -8.771 7.100 361 HD1 TYR 46 HD1 TYR 46 6.661 -7.608 5.872 362 HD2 TYR 46 HD2 TYR 46 4.185 -5.567 8.660 363 HE1 TYR 46 HE1 TYR 46 8.309 -5.787 5.993 364 HE2 TYR 46 HE2 TYR 46 5.822 -3.734 8.787 365 HH TYR 46 HH TYR 46 8.076 -3.256 8.368 366 H SER 47 HN SER 47 0.790 -8.035 6.215 367 HA SER 47 HA SER 47 0.879 -10.948 6.277 368 HB2 SER 47 HB2 SER 47 -1.676 -9.391 6.438 369 HB3 SER 47 HB1 SER 47 -1.228 -10.893 7.245 370 HG SER 47 HG SER 47 -0.697 -8.252 7.960 371 HA PRO 48 HA PRO 48 0.137 -10.692 1.823 372 HB2 PRO 48 HB2 PRO 48 0.414 -13.388 1.398 373 HB3 PRO 48 HB1 PRO 48 1.772 -12.253 1.490 374 HG2 PRO 48 HG2 PRO 48 0.732 -14.117 3.555 375 HG3 PRO 48 HG1 PRO 48 2.406 -13.670 3.171 376 HD2 PRO 48 HD2 PRO 48 1.060 -12.653 5.287 377 HD3 PRO 48 HD1 PRO 48 2.326 -11.758 4.425 378 H GLY 49 HN GLY 49 -1.425 -12.917 4.072 379 HA2 GLY 49 HA2 GLY 49 -3.499 -13.711 2.286 380 HA3 GLY 49 HA1 GLY 49 -3.485 -13.937 4.027 381 H SER 50 HN SER 50 -3.001 -10.840 4.059 382 HA SER 50 HA SER 50 -5.851 -10.232 4.138 383 HB2 SER 50 HB2 SER 50 -3.524 -8.581 5.140 384 HB3 SER 50 HB1 SER 50 -5.232 -8.294 5.465 385 HG SER 50 HG SER 50 -4.147 -10.793 6.119 386 H TRP 51 HN TRP 51 -3.326 -9.920 1.990 387 HA TRP 51 HA TRP 51 -3.756 -7.311 0.983 388 HB2 TRP 51 HB2 TRP 51 -2.549 -9.776 -0.272 389 HB3 TRP 51 HB1 TRP 51 -2.616 -8.220 -1.089 390 HD1 TRP 51 HD1 TRP 51 -1.932 -6.709 1.863 391 HE1 TRP 51 HE1 TRP 51 0.561 -6.625 2.514 392 HE3 TRP 51 HE3 TRP 51 -0.164 -10.408 -1.185 393 HZ2 TRP 51 HZ2 TRP 51 2.947 -7.947 1.826 394 HZ3 TRP 51 HZ3 TRP 51 2.236 -10.939 -1.127 395 HH2 TRP 51 HH2 TRP 51 3.761 -9.727 0.350 396 H ASP 52 HN ASP 52 -5.123 -10.457 0.127 397 HA ASP 52 HA ASP 52 -6.455 -9.638 -2.193 398 HB2 ASP 52 HB2 ASP 52 -6.082 -12.004 -1.587 399 HB3 ASP 52 HB1 ASP 52 -7.298 -11.853 -0.323 400 HA PRO 53 HA PRO 53 -10.513 -9.045 0.505 401 HB2 PRO 53 HB2 PRO 53 -9.859 -8.192 3.091 402 HB3 PRO 53 HB1 PRO 53 -10.496 -9.784 2.653 403 HG2 PRO 53 HG2 PRO 53 -7.707 -8.956 3.197 404 HG3 PRO 53 HG1 PRO 53 -8.529 -10.486 3.561 405 HD2 PRO 53 HD2 PRO 53 -6.790 -10.281 1.536 406 HD3 PRO 53 HD1 PRO 53 -8.234 -11.308 1.423 407 H ILE 54 HN ILE 54 -7.572 -7.211 1.311 408 HA ILE 54 HA ILE 54 -8.888 -4.694 1.509 409 HB ILE 54 HB ILE 54 -5.981 -5.345 0.986 410 HG12 ILE 54 HG12 ILE 54 -7.326 -4.413 3.527 411 HG13 ILE 54 HG11 ILE 54 -6.960 -6.099 3.172 412 HG21 ILE 54 HG21 ILE 54 -6.474 -3.118 0.175 413 HG22 ILE 54 HG22 ILE 54 -5.523 -3.026 1.658 414 HG23 ILE 54 HG23 ILE 54 -7.258 -2.710 1.701 415 HD11 ILE 54 HD11 ILE 54 -4.591 -5.580 3.089 416 HD12 ILE 54 HD12 ILE 54 -5.289 -5.090 4.631 417 HD13 ILE 54 HD13 ILE 54 -4.937 -3.879 3.398 418 H THR 55 HN THR 55 -7.002 -6.259 -1.063 419 HA THR 55 HA THR 55 -7.148 -4.199 -2.940 420 HB THR 55 HB THR 55 -7.049 -7.172 -3.495 421 HG1 THR 55 HG1 THR 55 -5.273 -6.759 -2.290 422 HG21 THR 55 HG21 THR 55 -5.917 -6.497 -5.579 423 HG22 THR 55 HG22 THR 55 -6.223 -4.806 -5.182 424 HG23 THR 55 HG23 THR 55 -7.574 -5.895 -5.494 425 H ALA 56 HN ALA 56 -9.297 -7.003 -2.472 426 HA ALA 56 HA ALA 56 -11.028 -6.555 -4.606 427 HB1 ALA 56 HB1 ALA 56 -11.801 -7.684 -1.923 428 HB2 ALA 56 HB2 ALA 56 -10.970 -8.590 -3.188 429 HB3 ALA 56 HB3 ALA 56 -12.597 -7.969 -3.471 430 H ALA 57 HN ALA 57 -11.365 -5.470 -1.234 431 HA ALA 57 HA ALA 57 -13.756 -4.049 -1.600 432 HB1 ALA 57 HB1 ALA 57 -11.563 -3.635 0.432 433 HB2 ALA 57 HB2 ALA 57 -12.998 -4.646 0.612 434 HB3 ALA 57 HB3 ALA 57 -13.161 -2.893 0.507 435 H LEU 58 HN LEU 58 -10.388 -3.093 -1.994 436 HA LEU 58 HA LEU 58 -10.893 -0.325 -2.324 437 HB2 LEU 58 HB2 LEU 58 -8.623 -2.069 -2.394 438 HB3 LEU 58 HB1 LEU 58 -8.579 -1.014 -3.793 439 HG LEU 58 HG LEU 58 -8.846 -0.041 -0.947 440 HD11 LEU 58 HD11 LEU 58 -6.683 -1.122 -1.306 441 HD12 LEU 58 HD12 LEU 58 -6.512 0.625 -1.129 442 HD13 LEU 58 HD13 LEU 58 -6.413 -0.113 -2.727 443 HD21 LEU 58 HD21 LEU 58 -9.745 1.373 -2.863 444 HD22 LEU 58 HD22 LEU 58 -8.067 1.537 -3.380 445 HD23 LEU 58 HD23 LEU 58 -8.563 2.127 -1.795 446 H SER 59 HN SER 59 -10.515 -3.007 -4.619 447 HA SER 59 HA SER 59 -10.771 -1.455 -6.954 448 HB2 SER 59 HB2 SER 59 -11.509 -4.363 -6.537 449 HB3 SER 59 HB1 SER 59 -11.228 -3.579 -8.091 450 HG SER 59 HG SER 59 -9.078 -3.237 -7.480 451 H GLN 60 HN GLN 60 -13.145 -3.011 -4.862 452 HA GLN 60 HA GLN 60 -15.371 -2.591 -6.556 453 HB2 GLN 60 HB2 GLN 60 -15.311 -4.209 -4.648 454 HB3 GLN 60 HB1 GLN 60 -15.406 -2.837 -3.548 455 HG2 GLN 60 HG2 GLN 60 -17.555 -2.212 -4.454 456 HG3 GLN 60 HG1 GLN 60 -17.455 -3.503 -5.650 457 HE21 GLN 60 HE21 GLN 60 -16.479 -3.765 -2.293 458 HE22 GLN 60 HE22 GLN 60 -17.695 -4.910 -1.843 459 H ARG 61 HN ARG 61 -14.272 -0.785 -3.656 460 HA ARG 61 HA ARG 61 -16.233 1.220 -3.866 461 HB2 ARG 61 HB2 ARG 61 -14.876 2.533 -2.348 462 HB3 ARG 61 HB1 ARG 61 -14.880 0.853 -1.834 463 HG2 ARG 61 HG2 ARG 61 -12.662 0.587 -2.937 464 HG3 ARG 61 HG1 ARG 61 -12.669 2.325 -3.244 465 HD2 ARG 61 HD2 ARG 61 -13.262 1.652 -0.476 466 HD3 ARG 61 HD1 ARG 61 -11.679 1.079 -0.994 467 HE ARG 61 HE ARG 61 -11.449 3.529 -1.812 468 HH11 ARG 61 HH11 ARG 61 -13.072 2.466 1.104 469 HH12 ARG 61 HH12 ARG 61 -12.763 3.940 1.969 470 HH21 ARG 61 HH21 ARG 61 -11.012 5.455 -0.689 471 HH22 ARG 61 HH22 ARG 61 -11.595 5.654 0.940 472 H ALA 62 HN ALA 62 -13.211 0.770 -5.517 473 HA ALA 62 HA ALA 62 -12.931 3.426 -6.485 474 HB1 ALA 62 HB1 ALA 62 -11.836 0.885 -7.683 475 HB2 ALA 62 HB2 ALA 62 -11.075 1.797 -6.378 476 HB3 ALA 62 HB3 ALA 62 -11.259 2.525 -7.974 477 H MET 63 HN MET 63 -14.450 0.502 -7.786 478 HA MET 63 HA MET 63 -15.120 1.791 -10.268 479 HB2 MET 63 HB2 MET 63 -16.109 -0.257 -10.927 480 HB3 MET 63 HB1 MET 63 -14.672 -0.679 -10.011 481 HG2 MET 63 HG2 MET 63 -16.044 -1.171 -8.061 482 HG3 MET 63 HG1 MET 63 -17.492 -0.719 -8.956 483 HE1 MET 63 HE1 MET 63 -14.316 -2.755 -10.111 484 HE2 MET 63 HE2 MET 63 -14.877 -4.411 -9.888 485 HE3 MET 63 HE3 MET 63 -14.639 -3.364 -8.489 486 H ILE 64 HN ILE 64 -16.574 1.501 -7.164 487 HA ILE 64 HA ILE 64 -19.245 2.075 -8.121 488 HB ILE 64 HB ILE 64 -18.117 1.789 -5.334 489 HG12 ILE 64 HG12 ILE 64 -20.064 0.117 -6.936 490 HG13 ILE 64 HG11 ILE 64 -18.382 -0.284 -6.616 491 HG21 ILE 64 HG21 ILE 64 -20.428 1.967 -4.510 492 HG22 ILE 64 HG22 ILE 64 -20.971 2.379 -6.136 493 HG23 ILE 64 HG23 ILE 64 -19.886 3.464 -5.267 494 HD11 ILE 64 HD11 ILE 64 -20.600 -0.084 -4.600 495 HD12 ILE 64 HD12 ILE 64 -18.905 -0.356 -4.204 496 HD13 ILE 64 HD13 ILE 64 -19.791 -1.550 -5.153 497 H LEU 65 HN LEU 65 -16.837 3.747 -6.081 498 HA LEU 65 HA LEU 65 -18.365 6.179 -6.116 499 HB2 LEU 65 HB2 LEU 65 -16.786 5.302 -4.263 500 HB3 LEU 65 HB1 LEU 65 -15.497 5.967 -5.248 501 HG LEU 65 HG LEU 65 -16.423 8.201 -5.034 502 HD11 LEU 65 HD11 LEU 65 -18.639 6.806 -3.541 503 HD12 LEU 65 HD12 LEU 65 -18.772 7.790 -4.999 504 HD13 LEU 65 HD13 LEU 65 -18.356 8.545 -3.460 505 HD21 LEU 65 HD21 LEU 65 -14.974 7.132 -3.218 506 HD22 LEU 65 HD22 LEU 65 -16.461 7.008 -2.278 507 HD23 LEU 65 HD23 LEU 65 -15.871 8.589 -2.790 508 H GLY 66 HN GLY 66 -15.866 4.773 -8.035 509 HA2 GLY 66 HA2 GLY 66 -15.231 5.485 -10.165 510 HA3 GLY 66 HA1 GLY 66 -16.006 7.031 -9.855 511 H LYS 67 HN LYS 67 -13.959 6.060 -7.327 512 HA LYS 67 HA LYS 67 -11.837 7.800 -8.383 513 HB2 LYS 67 HB2 LYS 67 -11.358 8.492 -6.089 514 HB3 LYS 67 HB1 LYS 67 -13.018 8.861 -6.528 515 HG2 LYS 67 HG2 LYS 67 -13.799 7.673 -4.826 516 HG3 LYS 67 HG1 LYS 67 -12.860 6.260 -5.315 517 HD2 LYS 67 HD2 LYS 67 -12.148 6.838 -3.115 518 HD3 LYS 67 HD1 LYS 67 -10.865 7.335 -4.220 519 HE2 LYS 67 HE2 LYS 67 -12.309 9.591 -4.168 520 HE3 LYS 67 HE1 LYS 67 -12.692 8.969 -2.564 521 HZ1 LYS 67 HZ1 LYS 67 -10.808 10.238 -2.220 522 HZ2 LYS 67 HZ2 LYS 67 -10.075 9.756 -3.667 523 HZ3 LYS 67 HZ3 LYS 67 -10.162 8.677 -2.364 524 H SER 68 HN SER 68 -9.813 7.028 -8.441 525 HA SER 68 HA SER 68 -9.311 4.439 -7.129 526 HB2 SER 68 HB2 SER 68 -7.566 4.735 -9.347 527 HB3 SER 68 HB1 SER 68 -8.881 3.577 -9.151 528 HG SER 68 HG SER 68 -10.234 4.891 -10.228 529 H GLY 69 HN GLY 69 -8.741 7.267 -6.286 530 HA2 GLY 69 HA2 GLY 69 -6.010 7.861 -6.532 531 HA3 GLY 69 HA1 GLY 69 -7.056 8.417 -5.237 532 H GLU 70 HN GLU 70 -7.726 5.959 -4.094 533 HA GLU 70 HA GLU 70 -5.346 5.479 -2.565 534 HB2 GLU 70 HB2 GLU 70 -8.067 4.168 -2.471 535 HB3 GLU 70 HB1 GLU 70 -6.779 3.864 -1.319 536 HG2 GLU 70 HG2 GLU 70 -7.833 5.436 -0.118 537 HG3 GLU 70 HG1 GLU 70 -6.939 6.547 -1.151 538 H LEU 71 HN LEU 71 -7.152 3.820 -5.062 539 HA LEU 71 HA LEU 71 -5.928 1.289 -4.847 540 HB2 LEU 71 HB2 LEU 71 -7.922 2.410 -6.402 541 HB3 LEU 71 HB1 LEU 71 -6.664 2.038 -7.567 542 HG LEU 71 HG LEU 71 -7.933 0.057 -5.668 543 HD11 LEU 71 HD11 LEU 71 -8.849 -0.913 -7.768 544 HD12 LEU 71 HD12 LEU 71 -8.273 0.516 -8.627 545 HD13 LEU 71 HD13 LEU 71 -9.497 0.676 -7.369 546 HD21 LEU 71 HD21 LEU 71 -6.666 -1.636 -6.789 547 HD22 LEU 71 HD22 LEU 71 -5.540 -0.391 -6.243 548 HD23 LEU 71 HD23 LEU 71 -6.020 -0.467 -7.938 549 H LYS 72 HN LYS 72 -5.034 4.194 -6.655 550 HA LYS 72 HA LYS 72 -3.029 3.124 -8.270 551 HB2 LYS 72 HB2 LYS 72 -3.388 5.848 -7.047 552 HB3 LYS 72 HB1 LYS 72 -1.998 5.476 -8.059 553 HG2 LYS 72 HG2 LYS 72 -3.596 4.804 -9.858 554 HG3 LYS 72 HG1 LYS 72 -4.901 5.431 -8.846 555 HD2 LYS 72 HD2 LYS 72 -2.526 7.029 -9.807 556 HD3 LYS 72 HD1 LYS 72 -4.132 7.058 -10.537 557 HE2 LYS 72 HE2 LYS 72 -5.080 7.900 -8.468 558 HE3 LYS 72 HE1 LYS 72 -3.505 7.817 -7.686 559 HZ1 LYS 72 HZ1 LYS 72 -4.000 9.462 -10.095 560 HZ2 LYS 72 HZ2 LYS 72 -2.684 9.534 -9.037 561 HZ3 LYS 72 HZ3 LYS 72 -4.207 10.056 -8.528 562 H THR 73 HN THR 73 -2.709 4.620 -5.057 563 HA THR 73 HA THR 73 0.034 4.128 -4.761 564 HB THR 73 HB THR 73 -1.828 4.226 -2.414 565 HG1 THR 73 HG1 THR 73 -2.456 6.195 -2.917 566 HG21 THR 73 HG21 THR 73 0.874 5.447 -2.991 567 HG22 THR 73 HG22 THR 73 0.567 4.033 -1.984 568 HG23 THR 73 HG23 THR 73 -0.019 5.619 -1.481 569 H TRP 74 HN TRP 74 -2.809 2.276 -3.719 570 HA TRP 74 HA TRP 74 -1.506 0.292 -2.263 571 HB2 TRP 74 HB2 TRP 74 -3.912 0.533 -2.168 572 HB3 TRP 74 HB1 TRP 74 -4.057 0.143 -3.879 573 HD1 TRP 74 HD1 TRP 74 -4.573 -2.318 -4.414 574 HE1 TRP 74 HE1 TRP 74 -4.477 -4.545 -3.119 575 HE3 TRP 74 HE3 TRP 74 -2.395 -0.651 -0.096 576 HZ2 TRP 74 HZ2 TRP 74 -3.600 -5.462 -0.604 577 HZ3 TRP 74 HZ3 TRP 74 -1.970 -2.265 1.708 578 HH2 TRP 74 HH2 TRP 74 -2.558 -4.624 1.459 579 H GLY 75 HN GLY 75 -2.371 0.359 -5.706 580 HA2 GLY 75 HA2 GLY 75 -1.512 -2.192 -6.420 581 HA3 GLY 75 HA1 GLY 75 -1.562 -0.811 -7.505 582 H LEU 76 HN LEU 76 0.356 0.774 -6.095 583 HA LEU 76 HA LEU 76 2.738 -0.295 -7.241 584 HB2 LEU 76 HB2 LEU 76 2.381 2.071 -5.399 585 HB3 LEU 76 HB1 LEU 76 3.819 1.712 -6.339 586 HG LEU 76 HG LEU 76 1.108 2.335 -7.518 587 HD11 LEU 76 HD11 LEU 76 2.127 4.269 -6.385 588 HD12 LEU 76 HD12 LEU 76 2.043 4.474 -8.134 589 HD13 LEU 76 HD13 LEU 76 3.576 4.058 -7.368 590 HD21 LEU 76 HD21 LEU 76 2.325 2.493 -9.625 591 HD22 LEU 76 HD22 LEU 76 2.476 0.881 -8.929 592 HD23 LEU 76 HD23 LEU 76 3.816 2.020 -8.811 593 H VAL 77 HN VAL 77 1.653 0.248 -3.901 594 HA VAL 77 HA VAL 77 3.979 -0.758 -2.651 595 HB VAL 77 HB VAL 77 1.139 -0.668 -1.607 596 HG11 VAL 77 HG11 VAL 77 3.737 -0.974 -0.101 597 HG12 VAL 77 HG12 VAL 77 2.526 -2.235 -0.339 598 HG13 VAL 77 HG13 VAL 77 2.137 -0.807 0.622 599 HG21 VAL 77 HG21 VAL 77 1.874 1.394 -0.479 600 HG22 VAL 77 HG22 VAL 77 1.967 1.531 -2.236 601 HG23 VAL 77 HG23 VAL 77 3.433 1.268 -1.290 602 H LEU 78 HN LEU 78 0.920 -2.253 -3.568 603 HA LEU 78 HA LEU 78 1.420 -4.822 -2.526 604 HB2 LEU 78 HB2 LEU 78 -0.813 -4.126 -3.126 605 HB3 LEU 78 HB1 LEU 78 -0.339 -3.891 -4.797 606 HG LEU 78 HG LEU 78 0.239 -6.484 -4.605 607 HD11 LEU 78 HD11 LEU 78 -2.025 -6.124 -2.646 608 HD12 LEU 78 HD12 LEU 78 -0.383 -6.612 -2.228 609 HD13 LEU 78 HD13 LEU 78 -1.384 -7.656 -3.239 610 HD21 LEU 78 HD21 LEU 78 -1.898 -6.938 -5.621 611 HD22 LEU 78 HD22 LEU 78 -1.293 -5.386 -6.198 612 HD23 LEU 78 HD23 LEU 78 -2.562 -5.439 -4.974 613 H GLY 79 HN GLY 79 1.971 -3.423 -5.734 614 HA2 GLY 79 HA2 GLY 79 2.859 -5.743 -7.029 615 HA3 GLY 79 HA1 GLY 79 3.276 -4.099 -7.486 616 H ALA 80 HN ALA 80 4.670 -3.366 -5.129 617 HA ALA 80 HA ALA 80 7.224 -4.431 -5.737 618 HB1 ALA 80 HB1 ALA 80 6.315 -2.768 -3.390 619 HB2 ALA 80 HB2 ALA 80 6.975 -2.172 -4.914 620 HB3 ALA 80 HB3 ALA 80 7.997 -3.096 -3.813 621 H LEU 81 HN LEU 81 4.953 -4.980 -3.083 622 HA LEU 81 HA LEU 81 6.694 -6.727 -1.647 623 HB2 LEU 81 HB2 LEU 81 3.728 -6.241 -1.469 624 HB3 LEU 81 HB1 LEU 81 4.592 -7.330 -0.401 625 HG LEU 81 HG LEU 81 5.139 -4.374 -0.651 626 HD11 LEU 81 HD11 LEU 81 4.071 -4.154 1.501 627 HD12 LEU 81 HD12 LEU 81 3.740 -5.885 1.546 628 HD13 LEU 81 HD13 LEU 81 2.943 -4.865 0.346 629 HD21 LEU 81 HD21 LEU 81 7.124 -5.530 0.013 630 HD22 LEU 81 HD22 LEU 81 6.229 -6.498 1.185 631 HD23 LEU 81 HD23 LEU 81 6.436 -4.764 1.446 632 H LYS 82 HN LYS 82 4.412 -7.125 -4.220 633 HA LYS 82 HA LYS 82 3.844 -9.861 -3.939 634 HB2 LYS 82 HB2 LYS 82 2.978 -7.916 -5.608 635 HB3 LYS 82 HB1 LYS 82 4.044 -8.801 -6.690 636 HG2 LYS 82 HG2 LYS 82 2.806 -10.793 -6.452 637 HG3 LYS 82 HG1 LYS 82 1.913 -10.158 -5.069 638 HD2 LYS 82 HD2 LYS 82 0.877 -8.477 -6.553 639 HD3 LYS 82 HD1 LYS 82 1.717 -9.202 -7.927 640 HE2 LYS 82 HE2 LYS 82 0.551 -11.298 -7.562 641 HE3 LYS 82 HE1 LYS 82 -0.234 -10.641 -6.129 642 HZ1 LYS 82 HZ1 LYS 82 -1.523 -9.193 -7.420 643 HZ2 LYS 82 HZ2 LYS 82 -1.571 -10.662 -8.255 644 HZ3 LYS 82 HZ3 LYS 82 -0.572 -9.414 -8.798 645 H ALA 83 HN ALA 83 6.468 -8.178 -5.595 646 HA ALA 83 HA ALA 83 7.594 -10.603 -6.655 647 HB1 ALA 83 HB1 ALA 83 8.780 -7.834 -6.481 648 HB2 ALA 83 HB2 ALA 83 7.845 -8.467 -7.836 649 HB3 ALA 83 HB3 ALA 83 9.411 -9.175 -7.436 650 H ALA 84 HN ALA 84 7.951 -8.663 -3.804 651 HA ALA 84 HA ALA 84 10.480 -9.644 -2.967 652 HB1 ALA 84 HB1 ALA 84 8.259 -8.460 -1.300 653 HB2 ALA 84 HB2 ALA 84 9.519 -7.544 -2.130 654 HB3 ALA 84 HB3 ALA 84 9.946 -8.641 -0.815 655 H ARG 85 HN ARG 85 7.186 -10.761 -2.529 656 HA ARG 85 HA ARG 85 7.942 -12.723 -0.560 657 HB2 ARG 85 HB2 ARG 85 5.368 -12.021 -1.924 658 HB3 ARG 85 HB1 ARG 85 5.510 -13.508 -0.991 659 HG2 ARG 85 HG2 ARG 85 6.130 -10.774 0.107 660 HG3 ARG 85 HG1 ARG 85 4.562 -11.567 0.257 661 HD2 ARG 85 HD2 ARG 85 5.490 -13.334 1.567 662 HD3 ARG 85 HD1 ARG 85 7.135 -12.800 1.229 663 HE ARG 85 HE ARG 85 6.385 -10.690 2.497 664 HH11 ARG 85 HH11 ARG 85 5.049 -13.623 4.903 665 HH12 ARG 85 HH12 ARG 85 5.335 -13.957 3.225 666 HH21 ARG 85 HH21 ARG 85 5.439 -11.520 5.746 667 HH22 ARG 85 HH22 ARG 85 6.019 -10.258 4.707 668 H GLU 86 HN GLU 86 8.765 -12.666 -3.600 669 HA GLU 86 HA GLU 86 8.050 -15.450 -4.201 670 HB2 GLU 86 HB2 GLU 86 9.137 -13.223 -5.916 671 HB3 GLU 86 HB1 GLU 86 9.111 -14.897 -6.457 672 HG2 GLU 86 HG2 GLU 86 6.602 -14.811 -5.909 673 HG3 GLU 86 HG1 GLU 86 6.820 -13.059 -5.903 674 H GLU 87 HN GLU 87 10.482 -13.611 -2.867 675 HA GLU 87 HA GLU 87 12.451 -15.739 -3.335 676 HB2 GLU 87 HB2 GLU 87 12.908 -12.758 -3.204 677 HB3 GLU 87 HB1 GLU 87 14.205 -13.935 -3.045 678 HG2 GLU 87 HG2 GLU 87 13.576 -14.824 -5.286 679 HG3 GLU 87 HG1 GLU 87 12.443 -13.481 -5.439 680 H1 FGV 101 H1 IP3 1 13.065 11.072 -1.022 681 H2 FGV 101 H2 IP3 1 13.493 9.563 0.870 682 H3 FGV 101 H3 IP3 1 12.450 11.725 1.370 683 H4 FGV 101 H4 IP3 1 9.784 10.261 1.112 684 H5 FGV 101 H5 IP3 1 10.994 12.497 -0.581 685 H6 FGV 101 H6 IP3 1 10.400 9.593 -1.310 686 H11 FGV 101 H11 IP3 1 16.105 8.514 -3.596 687 H12 FGV 101 H12 IP3 1 11.552 8.258 -0.209 688 H14 FGV 101 H14 IP3 1 9.662 12.920 1.159 689 H16 FGV 101 H16 IP3 1 10.291 11.559 -2.743 Start of MODEL 16 1 H1 SER 1 HT1 SER 1 2.983 3.860 10.232 2 H2 SER 1 HT2 SER 1 2.671 3.681 11.883 3 H3 SER 1 HT3 SER 1 4.264 3.764 11.330 4 HA SER 1 HA SER 1 2.261 5.922 11.179 5 HB2 SER 1 HB2 SER 1 4.729 5.701 12.909 6 HB3 SER 1 HB1 SER 1 3.564 7.024 12.907 7 HG SER 1 HG SER 1 2.091 5.766 13.877 8 H GLU 2 HN GLU 2 5.824 5.469 11.135 9 HA GLU 2 HA GLU 2 5.896 6.883 8.584 10 HB2 GLU 2 HB2 GLU 2 7.488 8.530 9.303 11 HB3 GLU 2 HB1 GLU 2 6.088 8.608 10.361 12 HG2 GLU 2 HG2 GLU 2 8.704 7.266 11.025 13 HG3 GLU 2 HG1 GLU 2 8.205 8.866 11.568 14 H ALA 3 HN ALA 3 7.710 5.141 11.075 15 HA ALA 3 HA ALA 3 10.086 4.725 9.702 16 HB1 ALA 3 HB1 ALA 3 10.457 2.849 11.199 17 HB2 ALA 3 HB2 ALA 3 8.745 2.830 11.626 18 HB3 ALA 3 HB3 ALA 3 9.752 4.207 12.075 19 H VAL 4 HN VAL 4 7.214 2.624 9.768 20 HA VAL 4 HA VAL 4 8.219 0.671 8.022 21 HB VAL 4 HB VAL 4 5.309 1.415 8.361 22 HG11 VAL 4 HG11 VAL 4 6.621 -1.201 7.629 23 HG12 VAL 4 HG12 VAL 4 5.776 -0.128 6.514 24 HG13 VAL 4 HG13 VAL 4 4.888 -0.923 7.813 25 HG21 VAL 4 HG21 VAL 4 6.975 -0.479 10.016 26 HG22 VAL 4 HG22 VAL 4 5.239 -0.215 10.171 27 HG23 VAL 4 HG23 VAL 4 6.365 1.089 10.544 28 H ILE 5 HN ILE 5 6.631 3.749 7.418 29 HA ILE 5 HA ILE 5 5.985 3.351 4.706 30 HB ILE 5 HB ILE 5 6.669 5.928 6.133 31 HG12 ILE 5 HG12 ILE 5 4.017 4.613 5.495 32 HG13 ILE 5 HG11 ILE 5 4.724 4.816 7.094 33 HG21 ILE 5 HG21 ILE 5 5.358 5.492 3.453 34 HG22 ILE 5 HG22 ILE 5 6.953 6.186 3.739 35 HG23 ILE 5 HG23 ILE 5 5.507 7.045 4.273 36 HD11 ILE 5 HD11 ILE 5 2.971 6.429 6.715 37 HD12 ILE 5 HD12 ILE 5 3.791 7.021 5.271 38 HD13 ILE 5 HD13 ILE 5 4.529 7.240 6.861 39 H LYS 6 HN LYS 6 8.881 4.659 6.284 40 HA LYS 6 HA LYS 6 10.295 5.311 3.949 41 HB2 LYS 6 HB2 LYS 6 11.104 4.728 6.776 42 HB3 LYS 6 HB1 LYS 6 12.345 4.856 5.539 43 HG2 LYS 6 HG2 LYS 6 10.311 6.994 6.118 44 HG3 LYS 6 HG1 LYS 6 11.938 6.953 6.799 45 HD2 LYS 6 HD2 LYS 6 11.289 7.043 3.849 46 HD3 LYS 6 HD1 LYS 6 11.752 8.436 4.825 47 HE2 LYS 6 HE2 LYS 6 13.879 7.211 5.373 48 HE3 LYS 6 HE1 LYS 6 13.420 6.014 4.164 49 HZ1 LYS 6 HZ1 LYS 6 13.240 8.037 2.616 50 HZ2 LYS 6 HZ2 LYS 6 14.779 7.458 3.004 51 HZ3 LYS 6 HZ3 LYS 6 14.176 8.835 3.777 52 H VAL 7 HN VAL 7 10.141 2.336 5.840 53 HA VAL 7 HA VAL 7 12.088 0.887 4.421 54 HB VAL 7 HB VAL 7 9.629 -0.174 5.840 55 HG11 VAL 7 HG11 VAL 7 10.884 -2.275 6.013 56 HG12 VAL 7 HG12 VAL 7 12.180 -1.581 5.041 57 HG13 VAL 7 HG13 VAL 7 10.586 -1.835 4.330 58 HG21 VAL 7 HG21 VAL 7 11.017 1.158 7.320 59 HG22 VAL 7 HG22 VAL 7 12.448 0.256 6.826 60 HG23 VAL 7 HG23 VAL 7 11.166 -0.552 7.725 61 H ILE 8 HN ILE 8 8.570 1.083 4.030 62 HA ILE 8 HA ILE 8 8.349 -0.647 1.828 63 HB ILE 8 HB ILE 8 6.619 1.680 2.690 64 HG12 ILE 8 HG12 ILE 8 6.653 -0.141 4.294 65 HG13 ILE 8 HG11 ILE 8 5.096 -0.127 3.472 66 HG21 ILE 8 HG21 ILE 8 6.277 1.337 0.313 67 HG22 ILE 8 HG22 ILE 8 4.870 0.784 1.218 68 HG23 ILE 8 HG23 ILE 8 6.021 -0.388 0.580 69 HD11 ILE 8 HD11 ILE 8 6.000 -1.921 1.965 70 HD12 ILE 8 HD12 ILE 8 5.766 -2.387 3.650 71 HD13 ILE 8 HD13 ILE 8 7.385 -2.026 3.052 72 H SER 9 HN SER 9 8.971 2.810 2.056 73 HA SER 9 HA SER 9 8.761 3.456 -0.657 74 HB2 SER 9 HB2 SER 9 10.477 4.707 1.498 75 HB3 SER 9 HB1 SER 9 10.174 5.422 -0.084 76 HG SER 9 HG SER 9 8.162 4.744 1.807 77 H SER 10 HN SER 10 11.649 2.544 1.242 78 HA SER 10 HA SER 10 13.528 2.763 -0.796 79 HB2 SER 10 HB2 SER 10 13.633 0.630 1.336 80 HB3 SER 10 HB1 SER 10 14.980 1.458 0.556 81 HG SER 10 HG SER 10 13.538 3.356 1.618 82 H ALA 11 HN ALA 11 11.472 0.009 0.067 83 HA ALA 11 HA ALA 11 12.575 -1.814 -1.783 84 HB1 ALA 11 HB1 ALA 11 11.163 -2.460 0.142 85 HB2 ALA 11 HB2 ALA 11 10.610 -3.160 -1.380 86 HB3 ALA 11 HB3 ALA 11 9.766 -1.774 -0.688 87 H CYS 12 HN CYS 12 9.749 0.332 -1.968 88 HA CYS 12 HA CYS 12 8.931 -0.411 -4.549 89 HB2 CYS 12 HB2 CYS 12 8.537 2.237 -3.142 90 HB3 CYS 12 HB1 CYS 12 7.635 1.675 -4.547 91 HG CYS 12 HG CYS 12 7.526 0.400 -1.377 92 H LYS 13 HN LYS 13 11.353 1.894 -3.458 93 HA LYS 13 HA LYS 13 11.696 3.221 -5.947 94 HB2 LYS 13 HB2 LYS 13 13.633 2.884 -3.651 95 HB3 LYS 13 HB1 LYS 13 13.857 3.984 -5.003 96 HG2 LYS 13 HG2 LYS 13 11.458 4.146 -3.207 97 HG3 LYS 13 HG1 LYS 13 12.974 4.957 -2.822 98 HD2 LYS 13 HD2 LYS 13 12.853 6.264 -4.833 99 HD3 LYS 13 HD1 LYS 13 11.441 5.358 -5.387 100 HE2 LYS 13 HE2 LYS 13 10.065 6.283 -3.712 101 HE3 LYS 13 HE1 LYS 13 11.446 6.885 -2.801 102 HZ1 LYS 13 HZ1 LYS 13 10.681 8.777 -3.823 103 HZ2 LYS 13 HZ2 LYS 13 10.212 7.977 -5.235 104 HZ3 LYS 13 HZ3 LYS 13 11.849 8.271 -4.934 105 H THR 14 HN THR 14 12.600 0.124 -4.847 106 HA THR 14 HA THR 14 14.691 -0.132 -6.884 107 HB THR 14 HB THR 14 13.894 -2.298 -4.953 108 HG1 THR 14 HG1 THR 14 14.466 -0.116 -3.966 109 HG21 THR 14 HG21 THR 14 16.486 -1.593 -6.334 110 HG22 THR 14 HG22 THR 14 15.409 -2.929 -6.746 111 HG23 THR 14 HG23 THR 14 16.261 -2.932 -5.205 112 H TYR 15 HN TYR 15 11.495 -1.333 -5.997 113 HA TYR 15 HA TYR 15 11.455 -3.243 -8.165 114 HB2 TYR 15 HB2 TYR 15 9.496 -2.434 -6.039 115 HB3 TYR 15 HB1 TYR 15 8.984 -3.429 -7.397 116 HD1 TYR 15 HD1 TYR 15 10.492 -3.423 -4.171 117 HD2 TYR 15 HD2 TYR 15 10.303 -5.600 -7.822 118 HE1 TYR 15 HE1 TYR 15 11.338 -5.424 -3.018 119 HE2 TYR 15 HE2 TYR 15 11.140 -7.603 -6.678 120 HH TYR 15 HH TYR 15 12.028 -8.412 -4.802 121 H CYS 16 HN CYS 16 9.538 -0.329 -7.374 122 HA CYS 16 HA CYS 16 8.500 -0.258 -10.089 123 HB2 CYS 16 HB2 CYS 16 8.004 1.769 -7.908 124 HB3 CYS 16 HB1 CYS 16 7.006 1.427 -9.317 125 HG CYS 16 HG CYS 16 5.560 -0.421 -8.274 126 H GLY 17 HN GLY 17 11.134 0.966 -8.381 127 HA2 GLY 17 HA2 GLY 17 12.838 2.381 -8.985 128 HA3 GLY 17 HA1 GLY 17 12.160 2.377 -10.605 129 H LYS 18 HN LYS 18 11.694 4.322 -11.312 130 HA LYS 18 HA LYS 18 11.329 6.528 -9.477 131 HB2 LYS 18 HB2 LYS 18 11.257 7.922 -11.487 132 HB3 LYS 18 HB1 LYS 18 12.645 6.843 -11.523 133 HG2 LYS 18 HG2 LYS 18 10.663 5.414 -12.817 134 HG3 LYS 18 HG1 LYS 18 10.418 7.074 -13.359 135 HD2 LYS 18 HD2 LYS 18 13.083 5.669 -13.407 136 HD3 LYS 18 HD1 LYS 18 11.975 5.719 -14.780 137 HE2 LYS 18 HE2 LYS 18 12.101 8.131 -14.834 138 HE3 LYS 18 HE1 LYS 18 13.127 8.136 -13.401 139 HZ1 LYS 18 HZ1 LYS 18 14.856 7.062 -14.608 140 HZ2 LYS 18 HZ2 LYS 18 14.347 8.391 -15.520 141 HZ3 LYS 18 HZ3 LYS 18 13.862 6.834 -15.958 142 H THR 19 HN THR 19 9.337 4.238 -10.866 143 HA THR 19 HA THR 19 6.990 5.933 -11.085 144 HB THR 19 HB THR 19 6.702 2.988 -11.199 145 HG1 THR 19 HG1 THR 19 8.526 2.900 -12.344 146 HG21 THR 19 HG21 THR 19 4.874 4.499 -11.809 147 HG22 THR 19 HG22 THR 19 5.393 3.542 -13.196 148 HG23 THR 19 HG23 THR 19 5.885 5.229 -13.056 149 H SER 20 HN SER 20 8.541 5.052 -8.506 150 HA SER 20 HA SER 20 6.667 3.555 -6.969 151 HB2 SER 20 HB2 SER 20 8.183 4.486 -5.054 152 HB3 SER 20 HB1 SER 20 8.865 3.346 -6.211 153 HG SER 20 HG SER 20 10.082 4.883 -7.052 154 HA PRO 21 HA PRO 21 3.995 6.810 -5.649 155 HB2 PRO 21 HB2 PRO 21 3.217 5.894 -3.213 156 HB3 PRO 21 HB1 PRO 21 2.656 5.166 -4.731 157 HG2 PRO 21 HG2 PRO 21 4.771 4.224 -2.862 158 HG3 PRO 21 HG1 PRO 21 3.556 3.295 -3.760 159 HD2 PRO 21 HD2 PRO 21 6.156 3.515 -4.540 160 HD3 PRO 21 HD1 PRO 21 4.811 3.239 -5.665 161 H SER 22 HN SER 22 3.860 8.601 -4.217 162 HA SER 22 HA SER 22 6.379 9.344 -3.045 163 HB2 SER 22 HB2 SER 22 4.009 11.016 -2.483 164 HB3 SER 22 HB1 SER 22 5.578 11.470 -3.150 165 HG SER 22 HG SER 22 3.377 11.292 -4.470 166 H LYS 23 HN LYS 23 6.601 10.092 -0.816 167 HA LYS 23 HA LYS 23 5.772 8.191 1.061 168 HB2 LYS 23 HB2 LYS 23 7.753 9.650 1.292 169 HB3 LYS 23 HB1 LYS 23 6.691 11.022 1.572 170 HG2 LYS 23 HG2 LYS 23 6.008 8.934 3.386 171 HG3 LYS 23 HG1 LYS 23 7.748 9.219 3.453 172 HD2 LYS 23 HD2 LYS 23 7.231 11.671 3.667 173 HD3 LYS 23 HD1 LYS 23 5.536 11.220 3.863 174 HE2 LYS 23 HE2 LYS 23 6.067 9.937 5.839 175 HE3 LYS 23 HE1 LYS 23 7.789 10.233 5.606 176 HZ1 LYS 23 HZ1 LYS 23 7.223 12.658 5.819 177 HZ2 LYS 23 HZ2 LYS 23 7.065 11.745 7.230 178 HZ3 LYS 23 HZ3 LYS 23 5.690 12.182 6.349 179 H LYS 24 HN LYS 24 4.509 11.410 0.328 180 HA LYS 24 HA LYS 24 2.580 11.518 2.376 181 HB2 LYS 24 HB2 LYS 24 3.199 13.002 -0.080 182 HB3 LYS 24 HB1 LYS 24 1.495 13.020 0.354 183 HG2 LYS 24 HG2 LYS 24 1.827 14.374 2.105 184 HG3 LYS 24 HG1 LYS 24 3.323 13.566 2.578 185 HD2 LYS 24 HD2 LYS 24 3.269 15.244 0.111 186 HD3 LYS 24 HD1 LYS 24 3.368 16.024 1.693 187 HE2 LYS 24 HE2 LYS 24 5.413 14.992 2.196 188 HE3 LYS 24 HE1 LYS 24 5.224 13.797 0.916 189 HZ1 LYS 24 HZ1 LYS 24 5.570 15.498 -0.717 190 HZ2 LYS 24 HZ2 LYS 24 6.851 15.541 0.384 191 HZ3 LYS 24 HZ3 LYS 24 5.628 16.705 0.467 192 H GLU 25 HN GLU 25 2.591 10.078 -0.798 193 HA GLU 25 HA GLU 25 -0.207 9.626 -1.004 194 HB2 GLU 25 HB2 GLU 25 1.685 9.586 -2.820 195 HB3 GLU 25 HB1 GLU 25 1.825 7.897 -2.359 196 HG2 GLU 25 HG2 GLU 25 -0.626 7.671 -2.815 197 HG3 GLU 25 HG1 GLU 25 -0.569 9.290 -3.510 198 H ILE 26 HN ILE 26 2.555 7.640 -0.018 199 HA ILE 26 HA ILE 26 1.123 5.286 0.541 200 HB ILE 26 HB ILE 26 3.680 6.266 1.837 201 HG12 ILE 26 HG12 ILE 26 3.320 4.402 -0.518 202 HG13 ILE 26 HG11 ILE 26 3.733 6.108 -0.657 203 HG21 ILE 26 HG21 ILE 26 2.660 4.481 3.124 204 HG22 ILE 26 HG22 ILE 26 4.102 3.887 2.299 205 HG23 ILE 26 HG23 ILE 26 2.502 3.494 1.670 206 HD11 ILE 26 HD11 ILE 26 5.812 5.724 0.530 207 HD12 ILE 26 HD12 ILE 26 5.689 4.658 -0.869 208 HD13 ILE 26 HD13 ILE 26 5.390 4.026 0.749 209 H GLY 27 HN GLY 27 1.982 8.076 2.533 210 HA2 GLY 27 HA2 GLY 27 0.999 7.141 4.991 211 HA3 GLY 27 HA1 GLY 27 1.159 8.831 4.536 212 H ALA 28 HN ALA 28 -0.615 9.000 2.434 213 HA ALA 28 HA ALA 28 -3.073 9.337 3.753 214 HB1 ALA 28 HB1 ALA 28 -2.522 10.660 1.817 215 HB2 ALA 28 HB2 ALA 28 -3.996 9.749 1.493 216 HB3 ALA 28 HB3 ALA 28 -2.462 9.219 0.803 217 H MET 29 HN MET 29 -1.939 6.858 1.496 218 HA MET 29 HA MET 29 -4.292 5.339 1.339 219 HB2 MET 29 HB2 MET 29 -2.385 5.076 -0.197 220 HB3 MET 29 HB1 MET 29 -1.404 4.448 1.118 221 HG2 MET 29 HG2 MET 29 -3.279 2.660 1.299 222 HG3 MET 29 HG1 MET 29 -3.655 3.162 -0.349 223 HE1 MET 29 HE1 MET 29 0.238 1.138 1.056 224 HE2 MET 29 HE2 MET 29 -1.188 1.438 2.048 225 HE3 MET 29 HE3 MET 29 -0.153 2.782 1.563 226 H LEU 30 HN LEU 30 -1.611 5.323 3.581 227 HA LEU 30 HA LEU 30 -2.176 2.976 4.995 228 HB2 LEU 30 HB2 LEU 30 -0.056 3.925 5.283 229 HB3 LEU 30 HB1 LEU 30 -0.712 5.512 5.633 230 HG LEU 30 HG LEU 30 -1.632 4.459 7.789 231 HD11 LEU 30 HD11 LEU 30 0.343 2.353 6.931 232 HD12 LEU 30 HD12 LEU 30 -1.363 2.141 7.320 233 HD13 LEU 30 HD13 LEU 30 -0.214 2.553 8.593 234 HD21 LEU 30 HD21 LEU 30 0.245 6.064 7.619 235 HD22 LEU 30 HD22 LEU 30 1.355 4.705 7.451 236 HD23 LEU 30 HD23 LEU 30 0.436 4.914 8.939 237 H SER 31 HN SER 31 -3.028 6.355 5.813 238 HA SER 31 HA SER 31 -4.507 5.751 8.111 239 HB2 SER 31 HB2 SER 31 -5.701 8.035 7.155 240 HB3 SER 31 HB1 SER 31 -4.221 7.988 8.116 241 HG SER 31 HG SER 31 -4.469 8.121 5.291 242 H LEU 32 HN LEU 32 -5.445 5.787 4.728 243 HA LEU 32 HA LEU 32 -8.236 5.689 5.064 244 HB2 LEU 32 HB2 LEU 32 -6.867 6.100 2.934 245 HB3 LEU 32 HB1 LEU 32 -6.719 4.361 2.825 246 HG LEU 32 HG LEU 32 -8.560 5.594 1.467 247 HD11 LEU 32 HD11 LEU 32 -8.401 3.233 1.406 248 HD12 LEU 32 HD12 LEU 32 -10.083 3.617 1.768 249 HD13 LEU 32 HD13 LEU 32 -9.002 3.081 3.055 250 HD21 LEU 32 HD21 LEU 32 -10.000 5.280 4.095 251 HD22 LEU 32 HD22 LEU 32 -10.675 5.865 2.575 252 HD23 LEU 32 HD23 LEU 32 -9.459 6.819 3.429 253 H LEU 33 HN LEU 33 -5.791 3.141 4.795 254 HA LEU 33 HA LEU 33 -7.562 0.950 4.865 255 HB2 LEU 33 HB2 LEU 33 -4.693 1.103 5.792 256 HB3 LEU 33 HB1 LEU 33 -5.585 -0.372 5.477 257 HG LEU 33 HG LEU 33 -5.014 1.712 3.371 258 HD11 LEU 33 HD11 LEU 33 -3.293 0.189 2.548 259 HD12 LEU 33 HD12 LEU 33 -3.547 -0.854 3.948 260 HD13 LEU 33 HD13 LEU 33 -2.920 0.780 4.167 261 HD21 LEU 33 HD21 LEU 33 -6.025 -1.122 3.220 262 HD22 LEU 33 HD22 LEU 33 -5.580 -0.135 1.829 263 HD23 LEU 33 HD23 LEU 33 -6.933 0.342 2.856 264 H GLN 34 HN GLN 34 -6.265 2.979 7.363 265 HA GLN 34 HA GLN 34 -6.882 1.192 9.521 266 HB2 GLN 34 HB2 GLN 34 -6.261 4.152 9.567 267 HB3 GLN 34 HB1 GLN 34 -6.308 3.092 10.969 268 HG2 GLN 34 HG2 GLN 34 -4.417 2.753 8.654 269 HG3 GLN 34 HG1 GLN 34 -4.025 3.610 10.142 270 HE21 GLN 34 HE21 GLN 34 -2.868 1.194 8.928 271 HE22 GLN 34 HE22 GLN 34 -2.971 -0.029 10.144 272 H LYS 35 HN LYS 35 -8.319 4.224 8.297 273 HA LYS 35 HA LYS 35 -10.446 4.194 10.179 274 HB2 LYS 35 HB2 LYS 35 -11.406 6.014 8.899 275 HB3 LYS 35 HB1 LYS 35 -9.681 6.261 9.115 276 HG2 LYS 35 HG2 LYS 35 -9.222 5.697 6.871 277 HG3 LYS 35 HG1 LYS 35 -10.850 5.069 6.621 278 HD2 LYS 35 HD2 LYS 35 -10.284 7.946 7.306 279 HD3 LYS 35 HD1 LYS 35 -10.383 7.356 5.647 280 HE2 LYS 35 HE2 LYS 35 -12.670 6.570 6.080 281 HE3 LYS 35 HE1 LYS 35 -12.572 7.203 7.721 282 HZ1 LYS 35 HZ1 LYS 35 -12.374 8.813 5.238 283 HZ2 LYS 35 HZ2 LYS 35 -12.297 9.420 6.813 284 HZ3 LYS 35 HZ3 LYS 35 -13.727 8.721 6.246 285 H GLU 36 HN GLU 36 -10.078 2.740 7.019 286 HA GLU 36 HA GLU 36 -12.897 2.300 6.674 287 HB2 GLU 36 HB2 GLU 36 -10.462 1.269 5.242 288 HB3 GLU 36 HB1 GLU 36 -12.075 0.682 4.864 289 HG2 GLU 36 HG2 GLU 36 -10.993 3.459 4.552 290 HG3 GLU 36 HG1 GLU 36 -11.594 2.375 3.300 291 H GLY 37 HN GLY 37 -10.579 0.910 8.630 292 HA2 GLY 37 HA2 GLY 37 -10.827 -0.826 10.140 293 HA3 GLY 37 HA1 GLY 37 -12.378 -1.196 9.401 294 H LEU 38 HN LEU 38 -9.596 -0.949 7.376 295 HA LEU 38 HA LEU 38 -9.853 -3.755 6.703 296 HB2 LEU 38 HB2 LEU 38 -8.200 -1.508 5.553 297 HB3 LEU 38 HB1 LEU 38 -8.050 -3.165 5.004 298 HG LEU 38 HG LEU 38 -10.657 -1.653 4.928 299 HD11 LEU 38 HD11 LEU 38 -9.080 -0.450 3.550 300 HD12 LEU 38 HD12 LEU 38 -10.205 -1.339 2.522 301 HD13 LEU 38 HD13 LEU 38 -8.568 -1.945 2.775 302 HD21 LEU 38 HD21 LEU 38 -10.857 -4.079 4.862 303 HD22 LEU 38 HD22 LEU 38 -9.695 -4.153 3.539 304 HD23 LEU 38 HD23 LEU 38 -11.260 -3.381 3.294 305 H LEU 39 HN LEU 39 -7.447 -1.560 8.060 306 HA LEU 39 HA LEU 39 -5.929 -3.912 8.977 307 HB2 LEU 39 HB2 LEU 39 -4.877 -1.210 8.145 308 HB3 LEU 39 HB1 LEU 39 -3.902 -2.468 8.880 309 HG LEU 39 HG LEU 39 -5.236 -2.551 6.180 310 HD11 LEU 39 HD11 LEU 39 -2.339 -2.612 6.997 311 HD12 LEU 39 HD12 LEU 39 -3.184 -1.246 6.274 312 HD13 LEU 39 HD13 LEU 39 -2.954 -2.730 5.349 313 HD21 LEU 39 HD21 LEU 39 -5.434 -4.755 6.662 314 HD22 LEU 39 HD22 LEU 39 -4.178 -4.713 7.896 315 HD23 LEU 39 HD23 LEU 39 -3.735 -4.763 6.190 316 H MET 40 HN MET 40 -4.531 -3.343 10.923 317 HA MET 40 HA MET 40 -5.936 -1.426 12.670 318 HB2 MET 40 HB2 MET 40 -6.713 -3.715 13.166 319 HB3 MET 40 HB1 MET 40 -5.050 -4.214 13.436 320 HG2 MET 40 HG2 MET 40 -4.872 -2.780 15.351 321 HG3 MET 40 HG1 MET 40 -6.472 -2.113 15.047 322 HE1 MET 40 HE1 MET 40 -5.610 -6.404 16.514 323 HE2 MET 40 HE2 MET 40 -4.389 -5.157 16.258 324 HE3 MET 40 HE3 MET 40 -5.211 -5.884 14.877 325 H SER 41 HN SER 41 -3.002 -3.118 11.819 326 HA SER 41 HA SER 41 -1.499 -1.280 13.570 327 HB2 SER 41 HB2 SER 41 -0.436 -3.935 12.640 328 HB3 SER 41 HB1 SER 41 0.046 -2.981 14.041 329 HG SER 41 HG SER 41 -2.055 -4.763 13.735 330 HA PRO 42 HA PRO 42 0.607 0.265 9.978 331 HB2 PRO 42 HB2 PRO 42 3.164 0.570 10.933 332 HB3 PRO 42 HB1 PRO 42 1.840 1.680 11.323 333 HG2 PRO 42 HG2 PRO 42 2.957 -0.553 12.938 334 HG3 PRO 42 HG1 PRO 42 2.443 1.069 13.450 335 HD2 PRO 42 HD2 PRO 42 0.894 -1.098 13.830 336 HD3 PRO 42 HD1 PRO 42 0.211 0.502 13.480 337 H SER 43 HN SER 43 1.940 -2.465 11.699 338 HA SER 43 HA SER 43 3.635 -3.294 9.508 339 HB2 SER 43 HB2 SER 43 3.647 -5.352 11.310 340 HB3 SER 43 HB1 SER 43 4.719 -3.949 11.388 341 HG SER 43 HG SER 43 3.633 -4.262 13.370 342 H ASP 44 HN ASP 44 0.467 -3.330 9.741 343 HA ASP 44 HA ASP 44 -0.267 -6.050 9.368 344 HB2 ASP 44 HB2 ASP 44 -1.587 -3.458 9.341 345 HB3 ASP 44 HB1 ASP 44 -2.222 -4.541 8.109 346 H LEU 45 HN LEU 45 1.142 -3.717 7.328 347 HA LEU 45 HA LEU 45 0.156 -4.622 4.828 348 HB2 LEU 45 HB2 LEU 45 2.523 -2.984 5.673 349 HB3 LEU 45 HB1 LEU 45 2.362 -3.509 4.010 350 HG LEU 45 HG LEU 45 1.492 -1.350 4.013 351 HD11 LEU 45 HD11 LEU 45 0.010 -3.140 3.016 352 HD12 LEU 45 HD12 LEU 45 -0.742 -1.582 3.363 353 HD13 LEU 45 HD13 LEU 45 -1.005 -2.949 4.445 354 HD21 LEU 45 HD21 LEU 45 1.399 -0.970 6.391 355 HD22 LEU 45 HD22 LEU 45 0.019 -2.057 6.545 356 HD23 LEU 45 HD23 LEU 45 -0.149 -0.537 5.665 357 H TYR 46 HN TYR 46 2.353 -5.978 7.025 358 HA TYR 46 HA TYR 46 3.886 -7.419 5.033 359 HB2 TYR 46 HB2 TYR 46 3.882 -7.476 8.052 360 HB3 TYR 46 HB1 TYR 46 4.912 -8.508 7.068 361 HD1 TYR 46 HD1 TYR 46 5.946 -6.841 5.003 362 HD2 TYR 46 HD2 TYR 46 5.147 -5.828 9.057 363 HE1 TYR 46 HE1 TYR 46 7.641 -5.066 4.888 364 HE2 TYR 46 HE2 TYR 46 6.835 -4.042 8.951 365 HH TYR 46 HH TYR 46 8.747 -3.395 7.707 366 H SER 47 HN SER 47 0.842 -7.781 6.191 367 HA SER 47 HA SER 47 0.905 -10.691 6.398 368 HB2 SER 47 HB2 SER 47 -1.657 -9.162 6.446 369 HB3 SER 47 HB1 SER 47 -1.156 -10.547 7.419 370 HG SER 47 HG SER 47 -1.054 -7.949 8.038 371 HA PRO 48 HA PRO 48 0.145 -10.603 1.930 372 HB2 PRO 48 HB2 PRO 48 0.500 -13.279 1.550 373 HB3 PRO 48 HB1 PRO 48 1.847 -12.134 1.705 374 HG2 PRO 48 HG2 PRO 48 0.692 -13.973 3.739 375 HG3 PRO 48 HG1 PRO 48 2.392 -13.575 3.409 376 HD2 PRO 48 HD2 PRO 48 1.004 -12.482 5.461 377 HD3 PRO 48 HD1 PRO 48 2.315 -11.633 4.621 378 H GLY 49 HN GLY 49 -1.408 -12.733 4.273 379 HA2 GLY 49 HA2 GLY 49 -3.418 -13.735 2.534 380 HA3 GLY 49 HA1 GLY 49 -3.470 -13.744 4.291 381 H SER 50 HN SER 50 -3.112 -10.793 4.366 382 HA SER 50 HA SER 50 -5.923 -10.153 4.122 383 HB2 SER 50 HB2 SER 50 -3.679 -8.420 5.168 384 HB3 SER 50 HB1 SER 50 -5.411 -8.182 5.413 385 HG SER 50 HG SER 50 -4.818 -10.646 6.196 386 H TRP 51 HN TRP 51 -3.296 -9.934 2.087 387 HA TRP 51 HA TRP 51 -3.601 -7.378 0.951 388 HB2 TRP 51 HB2 TRP 51 -2.494 -9.957 -0.155 389 HB3 TRP 51 HB1 TRP 51 -2.518 -8.468 -1.091 390 HD1 TRP 51 HD1 TRP 51 -1.811 -6.976 1.983 391 HE1 TRP 51 HE1 TRP 51 0.706 -6.839 2.513 392 HE3 TRP 51 HE3 TRP 51 -0.095 -10.428 -1.362 393 HZ2 TRP 51 HZ2 TRP 51 3.098 -8.026 1.621 394 HZ3 TRP 51 HZ3 TRP 51 2.328 -10.866 -1.471 395 HH2 TRP 51 HH2 TRP 51 3.887 -9.680 -0.008 396 H ASP 52 HN ASP 52 -5.122 -10.478 0.173 397 HA ASP 52 HA ASP 52 -6.410 -9.646 -2.174 398 HB2 ASP 52 HB2 ASP 52 -6.141 -12.007 -1.558 399 HB3 ASP 52 HB1 ASP 52 -7.307 -11.799 -0.254 400 HA PRO 53 HA PRO 53 -10.449 -8.868 0.530 401 HB2 PRO 53 HB2 PRO 53 -9.692 -7.954 3.081 402 HB3 PRO 53 HB1 PRO 53 -10.455 -9.510 2.710 403 HG2 PRO 53 HG2 PRO 53 -7.608 -8.876 3.200 404 HG3 PRO 53 HG1 PRO 53 -8.530 -10.342 3.583 405 HD2 PRO 53 HD2 PRO 53 -6.792 -10.274 1.545 406 HD3 PRO 53 HD1 PRO 53 -8.302 -11.207 1.454 407 H ILE 54 HN ILE 54 -7.438 -7.134 1.288 408 HA ILE 54 HA ILE 54 -8.614 -4.561 1.425 409 HB ILE 54 HB ILE 54 -5.765 -5.374 0.840 410 HG12 ILE 54 HG12 ILE 54 -6.995 -4.264 3.370 411 HG13 ILE 54 HG11 ILE 54 -6.689 -5.972 3.083 412 HG21 ILE 54 HG21 ILE 54 -6.127 -3.169 -0.068 413 HG22 ILE 54 HG22 ILE 54 -5.175 -3.036 1.413 414 HG23 ILE 54 HG23 ILE 54 -6.893 -2.637 1.427 415 HD11 ILE 54 HD11 ILE 54 -4.291 -5.487 2.872 416 HD12 ILE 54 HD12 ILE 54 -4.944 -5.025 4.444 417 HD13 ILE 54 HD13 ILE 54 -4.623 -3.791 3.229 418 H THR 55 HN THR 55 -6.883 -6.256 -1.179 419 HA THR 55 HA THR 55 -7.054 -4.247 -3.110 420 HB THR 55 HB THR 55 -7.130 -7.219 -3.670 421 HG1 THR 55 HG1 THR 55 -5.357 -6.905 -2.382 422 HG21 THR 55 HG21 THR 55 -5.957 -6.587 -5.735 423 HG22 THR 55 HG22 THR 55 -6.078 -4.888 -5.279 424 HG23 THR 55 HG23 THR 55 -7.538 -5.812 -5.629 425 H ALA 56 HN ALA 56 -9.261 -6.940 -2.404 426 HA ALA 56 HA ALA 56 -11.102 -6.497 -4.459 427 HB1 ALA 56 HB1 ALA 56 -11.733 -7.547 -1.706 428 HB2 ALA 56 HB2 ALA 56 -10.995 -8.505 -2.987 429 HB3 ALA 56 HB3 ALA 56 -12.621 -7.859 -3.199 430 H ALA 57 HN ALA 57 -11.063 -5.263 -1.128 431 HA ALA 57 HA ALA 57 -13.481 -3.836 -1.258 432 HB1 ALA 57 HB1 ALA 57 -11.083 -3.246 0.469 433 HB2 ALA 57 HB2 ALA 57 -12.319 -4.451 0.832 434 HB3 ALA 57 HB3 ALA 57 -12.747 -2.742 0.763 435 H LEU 58 HN LEU 58 -10.115 -2.742 -1.690 436 HA LEU 58 HA LEU 58 -10.721 -0.051 -2.183 437 HB2 LEU 58 HB2 LEU 58 -8.376 -1.788 -2.853 438 HB3 LEU 58 HB1 LEU 58 -8.456 -0.141 -3.451 439 HG LEU 58 HG LEU 58 -8.556 -0.925 -0.536 440 HD11 LEU 58 HD11 LEU 58 -6.370 -1.379 -1.504 441 HD12 LEU 58 HD12 LEU 58 -6.299 0.013 -0.424 442 HD13 LEU 58 HD13 LEU 58 -6.315 0.254 -2.171 443 HD21 LEU 58 HD21 LEU 58 -9.727 1.134 -0.863 444 HD22 LEU 58 HD22 LEU 58 -8.460 1.751 -1.923 445 HD23 LEU 58 HD23 LEU 58 -8.138 1.520 -0.206 446 H SER 59 HN SER 59 -10.370 -2.782 -4.426 447 HA SER 59 HA SER 59 -10.686 -1.243 -6.783 448 HB2 SER 59 HB2 SER 59 -11.365 -4.167 -6.388 449 HB3 SER 59 HB1 SER 59 -11.035 -3.362 -7.920 450 HG SER 59 HG SER 59 -9.254 -3.901 -5.794 451 H GLN 60 HN GLN 60 -12.931 -2.778 -4.584 452 HA GLN 60 HA GLN 60 -15.240 -2.586 -6.200 453 HB2 GLN 60 HB2 GLN 60 -15.122 -4.060 -4.242 454 HB3 GLN 60 HB1 GLN 60 -14.998 -2.662 -3.188 455 HG2 GLN 60 HG2 GLN 60 -17.222 -1.947 -3.822 456 HG3 GLN 60 HG1 GLN 60 -17.352 -3.300 -4.944 457 HE21 GLN 60 HE21 GLN 60 -15.791 -3.648 -1.861 458 HE22 GLN 60 HE22 GLN 60 -17.012 -4.629 -1.131 459 H ARG 61 HN ARG 61 -14.171 -0.538 -3.465 460 HA ARG 61 HA ARG 61 -16.198 1.386 -3.769 461 HB2 ARG 61 HB2 ARG 61 -14.770 2.848 -2.377 462 HB3 ARG 61 HB1 ARG 61 -14.947 1.232 -1.706 463 HG2 ARG 61 HG2 ARG 61 -12.740 0.635 -2.549 464 HG3 ARG 61 HG1 ARG 61 -12.562 2.248 -3.244 465 HD2 ARG 61 HD2 ARG 61 -13.298 2.355 -0.453 466 HD3 ARG 61 HD1 ARG 61 -11.820 1.428 -0.692 467 HE ARG 61 HE ARG 61 -11.182 3.527 -2.093 468 HH11 ARG 61 HH11 ARG 61 -12.957 3.452 0.919 469 HH12 ARG 61 HH12 ARG 61 -12.420 5.020 1.426 470 HH21 ARG 61 HH21 ARG 61 -10.456 5.595 -1.440 471 HH22 ARG 61 HH22 ARG 61 -10.990 6.246 0.083 472 H ALA 62 HN ALA 62 -13.075 1.039 -5.296 473 HA ALA 62 HA ALA 62 -12.811 3.621 -6.367 474 HB1 ALA 62 HB1 ALA 62 -11.784 1.025 -7.512 475 HB2 ALA 62 HB2 ALA 62 -10.969 2.006 -6.292 476 HB3 ALA 62 HB3 ALA 62 -11.215 2.644 -7.919 477 H MET 63 HN MET 63 -14.241 0.676 -7.765 478 HA MET 63 HA MET 63 -14.994 2.033 -10.178 479 HB2 MET 63 HB2 MET 63 -15.969 -0.024 -10.880 480 HB3 MET 63 HB1 MET 63 -14.470 -0.414 -10.052 481 HG2 MET 63 HG2 MET 63 -15.706 -1.041 -8.061 482 HG3 MET 63 HG1 MET 63 -17.222 -0.600 -8.844 483 HE1 MET 63 HE1 MET 63 -14.052 -2.506 -10.266 484 HE2 MET 63 HE2 MET 63 -14.565 -4.176 -10.026 485 HE3 MET 63 HE3 MET 63 -14.281 -3.134 -8.633 486 H ILE 64 HN ILE 64 -16.504 1.473 -7.102 487 HA ILE 64 HA ILE 64 -19.175 1.978 -8.037 488 HB ILE 64 HB ILE 64 -17.995 1.740 -5.278 489 HG12 ILE 64 HG12 ILE 64 -19.979 0.059 -6.827 490 HG13 ILE 64 HG11 ILE 64 -18.281 -0.329 -6.569 491 HG21 ILE 64 HG21 ILE 64 -20.299 1.859 -4.404 492 HG22 ILE 64 HG22 ILE 64 -20.859 2.333 -6.006 493 HG23 ILE 64 HG23 ILE 64 -19.760 3.383 -5.110 494 HD11 ILE 64 HD11 ILE 64 -20.411 -0.135 -4.453 495 HD12 ILE 64 HD12 ILE 64 -18.705 -0.470 -4.152 496 HD13 ILE 64 HD13 ILE 64 -19.679 -1.611 -5.079 497 H LEU 65 HN LEU 65 -16.884 3.848 -6.018 498 HA LEU 65 HA LEU 65 -18.599 6.168 -6.172 499 HB2 LEU 65 HB2 LEU 65 -17.207 5.511 -4.162 500 HB3 LEU 65 HB1 LEU 65 -15.804 6.051 -5.061 501 HG LEU 65 HG LEU 65 -16.677 8.323 -5.132 502 HD11 LEU 65 HD11 LEU 65 -18.703 8.900 -3.823 503 HD12 LEU 65 HD12 LEU 65 -19.034 7.177 -3.648 504 HD13 LEU 65 HD13 LEU 65 -19.041 7.917 -5.248 505 HD21 LEU 65 HD21 LEU 65 -16.749 7.131 -2.364 506 HD22 LEU 65 HD22 LEU 65 -16.568 8.844 -2.738 507 HD23 LEU 65 HD23 LEU 65 -15.315 7.702 -3.221 508 H GLY 66 HN GLY 66 -15.772 4.983 -7.816 509 HA2 GLY 66 HA2 GLY 66 -15.045 5.740 -9.913 510 HA3 GLY 66 HA1 GLY 66 -15.962 7.221 -9.676 511 H LYS 67 HN LYS 67 -13.566 5.710 -7.568 512 HA LYS 67 HA LYS 67 -11.624 7.782 -8.162 513 HB2 LYS 67 HB2 LYS 67 -11.346 8.333 -5.737 514 HB3 LYS 67 HB1 LYS 67 -12.860 8.888 -6.432 515 HG2 LYS 67 HG2 LYS 67 -14.084 7.638 -5.043 516 HG3 LYS 67 HG1 LYS 67 -13.025 6.238 -5.210 517 HD2 LYS 67 HD2 LYS 67 -12.911 6.920 -2.938 518 HD3 LYS 67 HD1 LYS 67 -11.399 7.415 -3.698 519 HE2 LYS 67 HE2 LYS 67 -13.646 9.365 -3.635 520 HE3 LYS 67 HE1 LYS 67 -12.787 9.046 -2.132 521 HZ1 LYS 67 HZ1 LYS 67 -11.865 10.931 -3.369 522 HZ2 LYS 67 HZ2 LYS 67 -11.502 9.909 -4.664 523 HZ3 LYS 67 HZ3 LYS 67 -10.732 9.688 -3.176 524 H SER 68 HN SER 68 -9.784 6.723 -8.462 525 HA SER 68 HA SER 68 -9.284 4.325 -6.822 526 HB2 SER 68 HB2 SER 68 -8.083 4.766 -9.546 527 HB3 SER 68 HB1 SER 68 -8.263 3.257 -8.651 528 HG SER 68 HG SER 68 -10.439 4.806 -9.613 529 H GLY 69 HN GLY 69 -8.545 7.185 -6.339 530 HA2 GLY 69 HA2 GLY 69 -5.824 7.642 -6.862 531 HA3 GLY 69 HA1 GLY 69 -6.739 8.365 -5.549 532 H GLU 70 HN GLU 70 -7.408 6.010 -4.166 533 HA GLU 70 HA GLU 70 -4.929 5.569 -2.770 534 HB2 GLU 70 HB2 GLU 70 -7.620 4.291 -2.263 535 HB3 GLU 70 HB1 GLU 70 -6.262 4.358 -1.150 536 HG2 GLU 70 HG2 GLU 70 -7.640 6.014 -0.346 537 HG3 GLU 70 HG1 GLU 70 -6.526 6.923 -1.365 538 H LEU 71 HN LEU 71 -6.903 3.887 -5.066 539 HA LEU 71 HA LEU 71 -5.923 1.269 -4.662 540 HB2 LEU 71 HB2 LEU 71 -7.811 2.472 -6.302 541 HB3 LEU 71 HB1 LEU 71 -6.606 1.879 -7.426 542 HG LEU 71 HG LEU 71 -8.292 0.290 -5.507 543 HD11 LEU 71 HD11 LEU 71 -8.841 -0.929 -7.602 544 HD12 LEU 71 HD12 LEU 71 -7.908 0.271 -8.495 545 HD13 LEU 71 HD13 LEU 71 -9.349 0.759 -7.602 546 HD21 LEU 71 HD21 LEU 71 -7.026 -1.699 -6.380 547 HD22 LEU 71 HD22 LEU 71 -6.137 -0.675 -5.253 548 HD23 LEU 71 HD23 LEU 71 -5.814 -0.570 -6.983 549 H LYS 72 HN LYS 72 -4.847 3.957 -6.680 550 HA LYS 72 HA LYS 72 -2.905 2.626 -8.186 551 HB2 LYS 72 HB2 LYS 72 -3.039 5.480 -7.223 552 HB3 LYS 72 HB1 LYS 72 -1.785 4.893 -8.304 553 HG2 LYS 72 HG2 LYS 72 -4.015 4.057 -9.596 554 HG3 LYS 72 HG1 LYS 72 -4.589 5.545 -8.839 555 HD2 LYS 72 HD2 LYS 72 -2.179 5.251 -10.633 556 HD3 LYS 72 HD1 LYS 72 -3.714 6.019 -11.043 557 HE2 LYS 72 HE2 LYS 72 -3.342 7.756 -9.417 558 HE3 LYS 72 HE1 LYS 72 -1.892 6.946 -8.831 559 HZ1 LYS 72 HZ1 LYS 72 -0.859 7.309 -10.981 560 HZ2 LYS 72 HZ2 LYS 72 -1.349 8.776 -10.299 561 HZ3 LYS 72 HZ3 LYS 72 -2.251 8.080 -11.547 562 H THR 73 HN THR 73 -2.606 4.290 -5.070 563 HA THR 73 HA THR 73 0.131 3.854 -4.681 564 HB THR 73 HB THR 73 -1.778 3.862 -2.370 565 HG1 THR 73 HG1 THR 73 -1.199 6.065 -4.105 566 HG21 THR 73 HG21 THR 73 0.831 5.294 -2.907 567 HG22 THR 73 HG22 THR 73 0.641 3.825 -1.948 568 HG23 THR 73 HG23 THR 73 -0.081 5.338 -1.399 569 H TRP 74 HN TRP 74 -2.703 1.972 -3.676 570 HA TRP 74 HA TRP 74 -1.364 -0.026 -2.259 571 HB2 TRP 74 HB2 TRP 74 -3.768 0.237 -2.083 572 HB3 TRP 74 HB1 TRP 74 -3.973 -0.139 -3.792 573 HD1 TRP 74 HD1 TRP 74 -4.692 -2.546 -4.236 574 HE1 TRP 74 HE1 TRP 74 -4.501 -4.798 -2.999 575 HE3 TRP 74 HE3 TRP 74 -1.954 -1.012 -0.202 576 HZ2 TRP 74 HZ2 TRP 74 -3.342 -5.783 -0.622 577 HZ3 TRP 74 HZ3 TRP 74 -1.347 -2.672 1.508 578 HH2 TRP 74 HH2 TRP 74 -2.028 -5.007 1.302 579 H GLY 75 HN GLY 75 -2.372 0.069 -5.676 580 HA2 GLY 75 HA2 GLY 75 -1.516 -2.476 -6.421 581 HA3 GLY 75 HA1 GLY 75 -1.626 -1.099 -7.504 582 H LEU 76 HN LEU 76 0.337 0.528 -6.231 583 HA LEU 76 HA LEU 76 2.677 -0.538 -7.455 584 HB2 LEU 76 HB2 LEU 76 2.323 1.830 -5.619 585 HB3 LEU 76 HB1 LEU 76 3.792 1.461 -6.498 586 HG LEU 76 HG LEU 76 1.136 2.086 -7.790 587 HD11 LEU 76 HD11 LEU 76 2.075 4.021 -6.610 588 HD12 LEU 76 HD12 LEU 76 2.118 4.233 -8.360 589 HD13 LEU 76 HD13 LEU 76 3.590 3.811 -7.485 590 HD21 LEU 76 HD21 LEU 76 2.452 0.697 -9.226 591 HD22 LEU 76 HD22 LEU 76 3.900 1.651 -8.908 592 HD23 LEU 76 HD23 LEU 76 2.569 2.353 -9.825 593 H VAL 77 HN VAL 77 1.732 0.014 -4.078 594 HA VAL 77 HA VAL 77 4.106 -0.982 -2.918 595 HB VAL 77 HB VAL 77 1.313 -0.823 -1.753 596 HG11 VAL 77 HG11 VAL 77 3.969 -1.268 -0.393 597 HG12 VAL 77 HG12 VAL 77 2.620 -2.400 -0.477 598 HG13 VAL 77 HG13 VAL 77 2.460 -0.902 0.443 599 HG21 VAL 77 HG21 VAL 77 2.075 1.237 -0.713 600 HG22 VAL 77 HG22 VAL 77 2.244 1.342 -2.466 601 HG23 VAL 77 HG23 VAL 77 3.662 1.053 -1.458 602 H LEU 78 HN LEU 78 1.004 -2.493 -3.686 603 HA LEU 78 HA LEU 78 1.497 -5.010 -2.561 604 HB2 LEU 78 HB2 LEU 78 -0.720 -4.203 -3.270 605 HB3 LEU 78 HB1 LEU 78 -0.221 -4.319 -4.947 606 HG LEU 78 HG LEU 78 0.026 -6.767 -4.683 607 HD11 LEU 78 HD11 LEU 78 -1.039 -6.227 -1.916 608 HD12 LEU 78 HD12 LEU 78 0.516 -6.941 -2.344 609 HD13 LEU 78 HD13 LEU 78 -0.977 -7.820 -2.668 610 HD21 LEU 78 HD21 LEU 78 -2.388 -7.264 -4.501 611 HD22 LEU 78 HD22 LEU 78 -2.043 -5.900 -5.564 612 HD23 LEU 78 HD23 LEU 78 -2.657 -5.616 -3.935 613 H GLY 79 HN GLY 79 2.059 -3.786 -5.840 614 HA2 GLY 79 HA2 GLY 79 2.956 -6.188 -6.978 615 HA3 GLY 79 HA1 GLY 79 3.371 -4.580 -7.547 616 H ALA 80 HN ALA 80 4.637 -3.781 -5.067 617 HA ALA 80 HA ALA 80 7.244 -4.873 -5.573 618 HB1 ALA 80 HB1 ALA 80 7.921 -3.328 -3.713 619 HB2 ALA 80 HB2 ALA 80 6.225 -2.867 -3.571 620 HB3 ALA 80 HB3 ALA 80 7.100 -2.547 -5.067 621 H LEU 81 HN LEU 81 4.892 -4.996 -2.935 622 HA LEU 81 HA LEU 81 6.457 -6.527 -1.158 623 HB2 LEU 81 HB2 LEU 81 3.488 -6.112 -1.401 624 HB3 LEU 81 HB1 LEU 81 4.187 -7.119 -0.150 625 HG LEU 81 HG LEU 81 4.757 -4.179 -0.531 626 HD11 LEU 81 HD11 LEU 81 3.112 -5.593 1.562 627 HD12 LEU 81 HD12 LEU 81 2.470 -4.634 0.230 628 HD13 LEU 81 HD13 LEU 81 3.442 -3.862 1.484 629 HD21 LEU 81 HD21 LEU 81 6.663 -5.267 0.438 630 HD22 LEU 81 HD22 LEU 81 5.640 -6.146 1.574 631 HD23 LEU 81 HD23 LEU 81 5.808 -4.394 1.710 632 H LYS 82 HN LYS 82 4.057 -7.465 -3.589 633 HA LYS 82 HA LYS 82 3.986 -10.205 -3.023 634 HB2 LYS 82 HB2 LYS 82 3.482 -8.612 -5.516 635 HB3 LYS 82 HB1 LYS 82 3.440 -10.368 -5.557 636 HG2 LYS 82 HG2 LYS 82 1.726 -10.260 -3.712 637 HG3 LYS 82 HG1 LYS 82 1.666 -8.515 -3.989 638 HD2 LYS 82 HD2 LYS 82 -0.119 -9.569 -5.222 639 HD3 LYS 82 HD1 LYS 82 1.084 -8.965 -6.363 640 HE2 LYS 82 HE2 LYS 82 1.998 -11.183 -6.638 641 HE3 LYS 82 HE1 LYS 82 0.923 -11.817 -5.393 642 HZ1 LYS 82 HZ1 LYS 82 0.164 -10.773 -8.062 643 HZ2 LYS 82 HZ2 LYS 82 -0.955 -11.138 -6.851 644 HZ3 LYS 82 HZ3 LYS 82 0.013 -12.363 -7.501 645 H ALA 83 HN ALA 83 6.009 -8.396 -5.307 646 HA ALA 83 HA ALA 83 7.454 -10.614 -6.273 647 HB1 ALA 83 HB1 ALA 83 8.351 -7.737 -6.149 648 HB2 ALA 83 HB2 ALA 83 7.332 -8.428 -7.411 649 HB3 ALA 83 HB3 ALA 83 8.989 -8.999 -7.206 650 H ALA 84 HN ALA 84 7.915 -8.510 -3.504 651 HA ALA 84 HA ALA 84 10.547 -9.330 -2.869 652 HB1 ALA 84 HB1 ALA 84 8.383 -8.169 -1.118 653 HB2 ALA 84 HB2 ALA 84 9.646 -7.282 -1.972 654 HB3 ALA 84 HB3 ALA 84 10.072 -8.360 -0.642 655 H ARG 85 HN ARG 85 7.402 -10.669 -2.228 656 HA ARG 85 HA ARG 85 8.454 -12.593 -0.309 657 HB2 ARG 85 HB2 ARG 85 5.716 -11.914 -1.320 658 HB3 ARG 85 HB1 ARG 85 5.996 -13.432 -0.483 659 HG2 ARG 85 HG2 ARG 85 6.990 -12.052 1.393 660 HG3 ARG 85 HG1 ARG 85 6.308 -10.642 0.576 661 HD2 ARG 85 HD2 ARG 85 4.103 -11.444 0.836 662 HD3 ARG 85 HD1 ARG 85 4.658 -13.046 1.304 663 HE ARG 85 HE ARG 85 4.696 -10.632 2.976 664 HH11 ARG 85 HH11 ARG 85 5.294 -14.365 4.335 665 HH12 ARG 85 HH12 ARG 85 5.216 -14.076 2.625 666 HH21 ARG 85 HH21 ARG 85 5.062 -12.638 5.809 667 HH22 ARG 85 HH22 ARG 85 4.798 -11.019 5.236 668 H GLU 86 HN GLU 86 8.255 -12.347 -3.622 669 HA GLU 86 HA GLU 86 7.601 -15.064 -4.246 670 HB2 GLU 86 HB2 GLU 86 8.739 -12.768 -5.813 671 HB3 GLU 86 HB1 GLU 86 8.657 -14.382 -6.503 672 HG2 GLU 86 HG2 GLU 86 6.227 -14.394 -6.123 673 HG3 GLU 86 HG1 GLU 86 6.337 -12.751 -5.500 674 H GLU 87 HN GLU 87 10.405 -13.407 -3.215 675 HA GLU 87 HA GLU 87 12.227 -15.434 -4.206 676 HB2 GLU 87 HB2 GLU 87 12.680 -12.952 -2.538 677 HB3 GLU 87 HB1 GLU 87 13.959 -14.071 -2.994 678 HG2 GLU 87 HG2 GLU 87 13.285 -13.634 -5.397 679 HG3 GLU 87 HG1 GLU 87 12.318 -12.299 -4.773 680 H1 FGV 101 H1 IP3 1 12.523 10.898 -1.386 681 H2 FGV 101 H2 IP3 1 13.380 9.463 0.430 682 H3 FGV 101 H3 IP3 1 12.247 11.553 1.070 683 H4 FGV 101 H4 IP3 1 9.721 9.862 1.249 684 H5 FGV 101 H5 IP3 1 10.442 12.158 -0.641 685 H6 FGV 101 H6 IP3 1 9.992 9.191 -1.240 686 H11 FGV 101 H11 IP3 1 15.520 8.448 -4.177 687 H12 FGV 101 H12 IP3 1 10.748 8.441 0.603 688 H14 FGV 101 H14 IP3 1 9.441 12.538 1.279 689 H16 FGV 101 H16 IP3 1 9.804 11.401 -2.697 Start of MODEL 17 1 H1 SER 1 HT1 SER 1 1.477 6.219 10.631 2 H2 SER 1 HT2 SER 1 1.372 4.813 11.566 3 H3 SER 1 HT3 SER 1 2.073 4.758 10.030 4 HA SER 1 HA SER 1 3.132 6.263 12.336 5 HB2 SER 1 HB2 SER 1 4.184 3.731 11.064 6 HB3 SER 1 HB1 SER 1 4.823 4.546 12.491 7 HG SER 1 HG SER 1 3.477 3.392 13.587 8 H GLU 2 HN GLU 2 5.782 6.071 11.640 9 HA GLU 2 HA GLU 2 5.850 7.482 9.059 10 HB2 GLU 2 HB2 GLU 2 7.803 8.760 10.043 11 HB3 GLU 2 HB1 GLU 2 6.221 9.123 10.714 12 HG2 GLU 2 HG2 GLU 2 8.073 7.161 12.033 13 HG3 GLU 2 HG1 GLU 2 8.201 8.895 12.320 14 H ALA 3 HN ALA 3 7.906 5.589 11.292 15 HA ALA 3 HA ALA 3 10.018 5.214 9.460 16 HB1 ALA 3 HB1 ALA 3 10.873 3.581 10.981 17 HB2 ALA 3 HB2 ALA 3 9.294 3.386 11.742 18 HB3 ALA 3 HB3 ALA 3 10.180 4.901 11.923 19 H VAL 4 HN VAL 4 7.051 3.427 9.987 20 HA VAL 4 HA VAL 4 7.786 1.104 8.545 21 HB VAL 4 HB VAL 4 4.956 2.109 8.782 22 HG11 VAL 4 HG11 VAL 4 6.111 -0.675 8.769 23 HG12 VAL 4 HG12 VAL 4 5.362 0.127 7.389 24 HG13 VAL 4 HG13 VAL 4 4.399 -0.249 8.817 25 HG21 VAL 4 HG21 VAL 4 6.152 2.264 10.975 26 HG22 VAL 4 HG22 VAL 4 6.431 0.526 10.877 27 HG23 VAL 4 HG23 VAL 4 4.786 1.151 10.963 28 H ILE 5 HN ILE 5 6.645 4.247 7.567 29 HA ILE 5 HA ILE 5 5.828 3.508 4.937 30 HB ILE 5 HB ILE 5 6.727 6.216 5.953 31 HG12 ILE 5 HG12 ILE 5 3.943 5.061 5.647 32 HG13 ILE 5 HG11 ILE 5 4.782 5.328 7.173 33 HG21 ILE 5 HG21 ILE 5 5.243 5.437 3.447 34 HG22 ILE 5 HG22 ILE 5 6.858 6.135 3.545 35 HG23 ILE 5 HG23 ILE 5 5.451 7.091 4.014 36 HD11 ILE 5 HD11 ILE 5 3.109 7.059 6.656 37 HD12 ILE 5 HD12 ILE 5 4.046 7.498 5.225 38 HD13 ILE 5 HD13 ILE 5 4.738 7.706 6.834 39 H LYS 6 HN LYS 6 8.823 4.483 6.450 40 HA LYS 6 HA LYS 6 10.371 4.994 4.171 41 HB2 LYS 6 HB2 LYS 6 10.863 4.421 7.020 42 HB3 LYS 6 HB1 LYS 6 12.187 4.000 5.940 43 HG2 LYS 6 HG2 LYS 6 10.864 6.696 5.994 44 HG3 LYS 6 HG1 LYS 6 12.311 6.289 6.916 45 HD2 LYS 6 HD2 LYS 6 12.125 5.963 3.927 46 HD3 LYS 6 HD1 LYS 6 12.687 7.444 4.699 47 HE2 LYS 6 HE2 LYS 6 14.358 5.947 5.935 48 HE3 LYS 6 HE1 LYS 6 13.934 4.713 4.754 49 HZ1 LYS 6 HZ1 LYS 6 15.128 7.370 4.198 50 HZ2 LYS 6 HZ2 LYS 6 14.561 6.323 3.000 51 HZ3 LYS 6 HZ3 LYS 6 15.854 5.857 3.980 52 H VAL 7 HN VAL 7 9.909 2.021 6.051 53 HA VAL 7 HA VAL 7 11.646 0.354 4.668 54 HB VAL 7 HB VAL 7 8.995 -0.593 5.747 55 HG11 VAL 7 HG11 VAL 7 10.269 -2.617 6.283 56 HG12 VAL 7 HG12 VAL 7 11.712 -1.890 5.579 57 HG13 VAL 7 HG13 VAL 7 10.318 -2.252 4.559 58 HG21 VAL 7 HG21 VAL 7 9.930 0.837 7.448 59 HG22 VAL 7 HG22 VAL 7 11.503 0.059 7.284 60 HG23 VAL 7 HG23 VAL 7 10.136 -0.846 7.931 61 H ILE 8 HN ILE 8 8.295 1.203 3.953 62 HA ILE 8 HA ILE 8 8.032 -0.572 1.741 63 HB ILE 8 HB ILE 8 6.456 1.937 2.342 64 HG12 ILE 8 HG12 ILE 8 6.293 0.387 4.195 65 HG13 ILE 8 HG11 ILE 8 4.783 0.361 3.290 66 HG21 ILE 8 HG21 ILE 8 6.208 1.237 0.030 67 HG22 ILE 8 HG22 ILE 8 4.720 0.934 0.930 68 HG23 ILE 8 HG23 ILE 8 5.811 -0.400 0.550 69 HD11 ILE 8 HD11 ILE 8 6.970 -1.700 3.237 70 HD12 ILE 8 HD12 ILE 8 5.573 -1.706 2.159 71 HD13 ILE 8 HD13 ILE 8 5.347 -1.869 3.900 72 H SER 9 HN SER 9 8.831 2.857 2.068 73 HA SER 9 HA SER 9 8.921 3.524 -0.646 74 HB2 SER 9 HB2 SER 9 10.525 4.683 1.648 75 HB3 SER 9 HB1 SER 9 10.314 5.437 0.068 76 HG SER 9 HG SER 9 8.259 4.831 1.938 77 H SER 10 HN SER 10 11.545 2.454 1.528 78 HA SER 10 HA SER 10 13.616 2.544 -0.354 79 HB2 SER 10 HB2 SER 10 13.509 0.479 1.838 80 HB3 SER 10 HB1 SER 10 14.910 1.329 1.191 81 HG SER 10 HG SER 10 13.685 3.277 2.065 82 H ALA 11 HN ALA 11 11.099 0.193 0.147 83 HA ALA 11 HA ALA 11 12.410 -1.880 -1.356 84 HB1 ALA 11 HB1 ALA 11 10.896 -2.476 0.445 85 HB2 ALA 11 HB2 ALA 11 10.301 -3.103 -1.092 86 HB3 ALA 11 HB3 ALA 11 9.565 -1.667 -0.384 87 H CYS 12 HN CYS 12 9.519 0.148 -1.902 88 HA CYS 12 HA CYS 12 9.004 -0.792 -4.489 89 HB2 CYS 12 HB2 CYS 12 7.646 1.263 -4.768 90 HB3 CYS 12 HB1 CYS 12 7.312 0.409 -3.265 91 HG CYS 12 HG CYS 12 9.556 2.486 -2.379 92 H LYS 13 HN LYS 13 11.161 1.767 -3.378 93 HA LYS 13 HA LYS 13 11.600 2.929 -5.915 94 HB2 LYS 13 HB2 LYS 13 13.088 2.991 -3.315 95 HB3 LYS 13 HB1 LYS 13 13.792 3.718 -4.753 96 HG2 LYS 13 HG2 LYS 13 11.095 4.439 -3.613 97 HG3 LYS 13 HG1 LYS 13 12.591 5.332 -3.323 98 HD2 LYS 13 HD2 LYS 13 12.792 5.873 -5.649 99 HD3 LYS 13 HD1 LYS 13 11.441 4.821 -6.063 100 HE2 LYS 13 HE2 LYS 13 10.532 6.973 -6.099 101 HE3 LYS 13 HE1 LYS 13 10.037 6.318 -4.541 102 HZ1 LYS 13 HZ1 LYS 13 10.824 8.570 -4.285 103 HZ2 LYS 13 HZ2 LYS 13 12.297 8.184 -5.020 104 HZ3 LYS 13 HZ3 LYS 13 11.900 7.513 -3.523 105 H THR 14 HN THR 14 12.743 -0.009 -4.546 106 HA THR 14 HA THR 14 14.958 -0.146 -6.448 107 HB THR 14 HB THR 14 14.252 -2.408 -4.619 108 HG1 THR 14 HG1 THR 14 15.157 0.141 -3.885 109 HG21 THR 14 HG21 THR 14 16.892 -1.259 -5.539 110 HG22 THR 14 HG22 THR 14 16.081 -2.648 -6.259 111 HG23 THR 14 HG23 THR 14 16.665 -2.736 -4.600 112 H TYR 15 HN TYR 15 11.798 -1.568 -5.841 113 HA TYR 15 HA TYR 15 12.166 -3.533 -7.950 114 HB2 TYR 15 HB2 TYR 15 9.788 -2.959 -6.172 115 HB3 TYR 15 HB1 TYR 15 9.865 -4.260 -7.355 116 HD1 TYR 15 HD1 TYR 15 10.215 -3.546 -3.979 117 HD2 TYR 15 HD2 TYR 15 12.111 -5.757 -7.084 118 HE1 TYR 15 HE1 TYR 15 11.270 -4.994 -2.296 119 HE2 TYR 15 HE2 TYR 15 13.173 -7.211 -5.406 120 HH TYR 15 HH TYR 15 12.220 -7.286 -2.162 121 H CYS 16 HN CYS 16 10.094 -0.712 -7.339 122 HA CYS 16 HA CYS 16 9.059 -0.847 -10.047 123 HB2 CYS 16 HB2 CYS 16 8.541 1.397 -8.116 124 HB3 CYS 16 HB1 CYS 16 7.505 0.789 -9.404 125 HG CYS 16 HG CYS 16 6.333 -1.140 -8.069 126 H GLY 17 HN GLY 17 11.013 1.337 -8.055 127 HA2 GLY 17 HA2 GLY 17 12.982 2.379 -8.954 128 HA3 GLY 17 HA1 GLY 17 12.220 2.363 -10.537 129 H LYS 18 HN LYS 18 11.835 4.362 -11.191 130 HA LYS 18 HA LYS 18 11.357 6.469 -9.253 131 HB2 LYS 18 HB2 LYS 18 11.411 7.962 -11.244 132 HB3 LYS 18 HB1 LYS 18 12.858 6.980 -11.062 133 HG2 LYS 18 HG2 LYS 18 11.136 5.484 -12.675 134 HG3 LYS 18 HG1 LYS 18 11.021 7.140 -13.266 135 HD2 LYS 18 HD2 LYS 18 13.635 5.725 -12.781 136 HD3 LYS 18 HD1 LYS 18 12.807 5.735 -14.337 137 HE2 LYS 18 HE2 LYS 18 12.884 8.209 -14.320 138 HE3 LYS 18 HE1 LYS 18 13.814 8.138 -12.824 139 HZ1 LYS 18 HZ1 LYS 18 15.564 6.993 -13.971 140 HZ2 LYS 18 HZ2 LYS 18 15.204 8.412 -14.818 141 HZ3 LYS 18 HZ3 LYS 18 14.653 6.919 -15.393 142 H THR 19 HN THR 19 9.451 4.242 -10.742 143 HA THR 19 HA THR 19 7.170 5.999 -11.179 144 HB THR 19 HB THR 19 6.124 3.622 -11.684 145 HG1 THR 19 HG1 THR 19 7.614 2.087 -12.147 146 HG21 THR 19 HG21 THR 19 6.382 5.345 -13.364 147 HG22 THR 19 HG22 THR 19 6.962 3.814 -14.017 148 HG23 THR 19 HG23 THR 19 8.113 5.032 -13.469 149 H SER 20 HN SER 20 8.565 4.744 -8.579 150 HA SER 20 HA SER 20 6.440 3.461 -7.197 151 HB2 SER 20 HB2 SER 20 8.779 4.863 -5.913 152 HB3 SER 20 HB1 SER 20 7.913 3.437 -5.345 153 HG SER 20 HG SER 20 9.989 3.631 -7.121 154 HA PRO 21 HA PRO 21 4.213 6.977 -5.718 155 HB2 PRO 21 HB2 PRO 21 3.255 6.110 -3.344 156 HB3 PRO 21 HB1 PRO 21 2.691 5.439 -4.885 157 HG2 PRO 21 HG2 PRO 21 4.622 4.311 -2.935 158 HG3 PRO 21 HG1 PRO 21 3.368 3.495 -3.888 159 HD2 PRO 21 HD2 PRO 21 6.028 3.507 -4.547 160 HD3 PRO 21 HD1 PRO 21 4.714 3.281 -5.715 161 H SER 22 HN SER 22 4.175 8.684 -4.197 162 HA SER 22 HA SER 22 6.720 9.120 -2.887 163 HB2 SER 22 HB2 SER 22 5.617 11.385 -2.379 164 HB3 SER 22 HB1 SER 22 5.906 10.999 -4.076 165 HG SER 22 HG SER 22 3.720 10.367 -4.245 166 H LYS 23 HN LYS 23 6.642 10.183 -0.630 167 HA LYS 23 HA LYS 23 5.580 8.309 1.190 168 HB2 LYS 23 HB2 LYS 23 7.545 9.907 1.543 169 HB3 LYS 23 HB1 LYS 23 6.343 11.135 1.905 170 HG2 LYS 23 HG2 LYS 23 5.462 9.548 3.675 171 HG3 LYS 23 HG1 LYS 23 6.939 8.617 3.423 172 HD2 LYS 23 HD2 LYS 23 7.508 9.999 5.193 173 HD3 LYS 23 HD1 LYS 23 8.130 10.882 3.800 174 HE2 LYS 23 HE2 LYS 23 6.183 12.318 3.791 175 HE3 LYS 23 HE1 LYS 23 5.463 11.392 5.103 176 HZ1 LYS 23 HZ1 LYS 23 7.898 13.070 5.232 177 HZ2 LYS 23 HZ2 LYS 23 7.408 12.040 6.478 178 HZ3 LYS 23 HZ3 LYS 23 6.428 13.339 6.022 179 H LYS 24 HN LYS 24 4.389 11.367 -0.023 180 HA LYS 24 HA LYS 24 2.311 11.819 1.814 181 HB2 LYS 24 HB2 LYS 24 2.551 12.595 -1.101 182 HB3 LYS 24 HB1 LYS 24 1.315 13.211 -0.012 183 HG2 LYS 24 HG2 LYS 24 2.928 14.336 1.317 184 HG3 LYS 24 HG1 LYS 24 4.259 13.527 0.487 185 HD2 LYS 24 HD2 LYS 24 2.357 15.137 -1.135 186 HD3 LYS 24 HD1 LYS 24 3.534 15.990 -0.140 187 HE2 LYS 24 HE2 LYS 24 4.210 13.855 -2.160 188 HE3 LYS 24 HE1 LYS 24 4.297 15.587 -2.469 189 HZ1 LYS 24 HZ1 LYS 24 5.881 15.666 -0.521 190 HZ2 LYS 24 HZ2 LYS 24 6.457 14.918 -1.923 191 HZ3 LYS 24 HZ3 LYS 24 5.951 13.978 -0.617 192 H GLU 25 HN GLU 25 2.454 9.929 -1.147 193 HA GLU 25 HA GLU 25 -0.318 9.344 -1.299 194 HB2 GLU 25 HB2 GLU 25 2.099 7.940 -2.441 195 HB3 GLU 25 HB1 GLU 25 0.442 7.483 -2.809 196 HG2 GLU 25 HG2 GLU 25 0.025 9.587 -3.857 197 HG3 GLU 25 HG1 GLU 25 1.594 10.208 -3.341 198 H ILE 26 HN ILE 26 2.470 7.510 -0.091 199 HA ILE 26 HA ILE 26 1.054 5.228 0.721 200 HB ILE 26 HB ILE 26 3.576 6.283 2.009 201 HG12 ILE 26 HG12 ILE 26 3.379 4.430 -0.370 202 HG13 ILE 26 HG11 ILE 26 3.662 6.161 -0.520 203 HG21 ILE 26 HG21 ILE 26 2.516 4.432 3.193 204 HG22 ILE 26 HG22 ILE 26 4.032 3.918 2.457 205 HG23 ILE 26 HG23 ILE 26 2.498 3.480 1.708 206 HD11 ILE 26 HD11 ILE 26 5.733 5.935 0.744 207 HD12 ILE 26 HD12 ILE 26 5.732 4.900 -0.683 208 HD13 ILE 26 HD13 ILE 26 5.445 4.202 0.911 209 H GLY 27 HN GLY 27 1.912 8.188 2.479 210 HA2 GLY 27 HA2 GLY 27 0.997 7.451 5.015 211 HA3 GLY 27 HA1 GLY 27 1.079 9.099 4.414 212 H ALA 28 HN ALA 28 -0.769 9.056 2.376 213 HA ALA 28 HA ALA 28 -3.212 9.286 3.810 214 HB1 ALA 28 HB1 ALA 28 -2.712 10.718 1.904 215 HB2 ALA 28 HB2 ALA 28 -4.205 9.821 1.633 216 HB3 ALA 28 HB3 ALA 28 -2.716 9.317 0.836 217 H MET 29 HN MET 29 -1.928 6.912 1.546 218 HA MET 29 HA MET 29 -4.208 5.343 1.196 219 HB2 MET 29 HB2 MET 29 -2.158 5.128 -0.149 220 HB3 MET 29 HB1 MET 29 -1.309 4.483 1.246 221 HG2 MET 29 HG2 MET 29 -3.076 2.632 1.241 222 HG3 MET 29 HG1 MET 29 -3.481 3.205 -0.375 223 HE1 MET 29 HE1 MET 29 0.483 1.245 0.899 224 HE2 MET 29 HE2 MET 29 -0.957 1.404 1.904 225 HE3 MET 29 HE3 MET 29 0.013 2.825 1.520 226 H LEU 30 HN LEU 30 -1.600 5.060 3.590 227 HA LEU 30 HA LEU 30 -2.586 2.765 4.886 228 HB2 LEU 30 HB2 LEU 30 -0.849 5.012 5.900 229 HB3 LEU 30 HB1 LEU 30 -1.135 3.521 6.778 230 HG LEU 30 HG LEU 30 0.108 3.603 4.032 231 HD11 LEU 30 HD11 LEU 30 1.440 3.537 6.732 232 HD12 LEU 30 HD12 LEU 30 1.549 4.825 5.533 233 HD13 LEU 30 HD13 LEU 30 2.253 3.243 5.195 234 HD21 LEU 30 HD21 LEU 30 -0.887 1.479 4.597 235 HD22 LEU 30 HD22 LEU 30 -0.066 1.470 6.157 236 HD23 LEU 30 HD23 LEU 30 0.868 1.343 4.667 237 H SER 31 HN SER 31 -3.096 6.209 5.491 238 HA SER 31 HA SER 31 -4.533 5.989 7.878 239 HB2 SER 31 HB2 SER 31 -3.597 8.092 6.859 240 HB3 SER 31 HB1 SER 31 -4.948 8.077 5.730 241 HG SER 31 HG SER 31 -6.039 9.043 7.218 242 H LEU 32 HN LEU 32 -5.585 5.794 4.515 243 HA LEU 32 HA LEU 32 -8.366 5.766 5.002 244 HB2 LEU 32 HB2 LEU 32 -7.112 6.131 2.797 245 HB3 LEU 32 HB1 LEU 32 -6.982 4.388 2.706 246 HG LEU 32 HG LEU 32 -8.879 5.603 1.416 247 HD11 LEU 32 HD11 LEU 32 -8.694 3.211 1.481 248 HD12 LEU 32 HD12 LEU 32 -10.379 3.666 1.738 249 HD13 LEU 32 HD13 LEU 32 -9.381 3.164 3.103 250 HD21 LEU 32 HD21 LEU 32 -10.189 5.381 4.120 251 HD22 LEU 32 HD22 LEU 32 -10.934 5.923 2.617 252 HD23 LEU 32 HD23 LEU 32 -9.673 6.895 3.375 253 H LEU 33 HN LEU 33 -5.998 3.150 4.583 254 HA LEU 33 HA LEU 33 -7.817 1.013 4.824 255 HB2 LEU 33 HB2 LEU 33 -4.889 1.028 5.558 256 HB3 LEU 33 HB1 LEU 33 -5.866 -0.385 5.203 257 HG LEU 33 HG LEU 33 -5.130 1.788 3.241 258 HD11 LEU 33 HD11 LEU 33 -3.812 0.027 2.168 259 HD12 LEU 33 HD12 LEU 33 -4.225 -1.076 3.479 260 HD13 LEU 33 HD13 LEU 33 -3.252 0.357 3.808 261 HD21 LEU 33 HD21 LEU 33 -6.776 -0.714 2.934 262 HD22 LEU 33 HD22 LEU 33 -6.124 0.208 1.580 263 HD23 LEU 33 HD23 LEU 33 -7.295 0.950 2.671 264 H GLN 34 HN GLN 34 -6.171 2.968 7.196 265 HA GLN 34 HA GLN 34 -6.627 1.259 9.428 266 HB2 GLN 34 HB2 GLN 34 -5.945 4.191 9.202 267 HB3 GLN 34 HB1 GLN 34 -6.143 3.382 10.750 268 HG2 GLN 34 HG2 GLN 34 -4.303 1.919 10.286 269 HG3 GLN 34 HG1 GLN 34 -4.176 2.536 8.640 270 HE21 GLN 34 HE21 GLN 34 -2.193 2.481 10.784 271 HE22 GLN 34 HE22 GLN 34 -1.697 4.118 11.019 272 H LYS 35 HN LYS 35 -8.215 4.280 8.368 273 HA LYS 35 HA LYS 35 -10.177 4.248 10.391 274 HB2 LYS 35 HB2 LYS 35 -11.306 5.981 9.138 275 HB3 LYS 35 HB1 LYS 35 -9.574 6.272 9.126 276 HG2 LYS 35 HG2 LYS 35 -9.367 5.655 6.875 277 HG3 LYS 35 HG1 LYS 35 -10.946 4.870 6.855 278 HD2 LYS 35 HD2 LYS 35 -10.574 7.828 7.292 279 HD3 LYS 35 HD1 LYS 35 -10.837 7.110 5.702 280 HE2 LYS 35 HE2 LYS 35 -12.953 6.145 6.522 281 HE3 LYS 35 HE1 LYS 35 -12.691 6.941 8.072 282 HZ1 LYS 35 HZ1 LYS 35 -13.100 8.263 5.449 283 HZ2 LYS 35 HZ2 LYS 35 -12.694 9.079 6.871 284 HZ3 LYS 35 HZ3 LYS 35 -14.165 8.257 6.761 285 H GLU 36 HN GLU 36 -10.105 2.736 7.221 286 HA GLU 36 HA GLU 36 -12.897 2.138 7.160 287 HB2 GLU 36 HB2 GLU 36 -10.531 1.116 5.607 288 HB3 GLU 36 HB1 GLU 36 -12.128 0.409 5.403 289 HG2 GLU 36 HG2 GLU 36 -11.378 3.287 4.931 290 HG3 GLU 36 HG1 GLU 36 -11.700 2.072 3.695 291 H GLY 37 HN GLY 37 -10.260 0.832 8.859 292 HA2 GLY 37 HA2 GLY 37 -10.359 -0.786 10.531 293 HA3 GLY 37 HA1 GLY 37 -11.967 -1.222 9.977 294 H LEU 38 HN LEU 38 -9.646 -1.060 7.502 295 HA LEU 38 HA LEU 38 -9.840 -3.884 7.038 296 HB2 LEU 38 HB2 LEU 38 -8.263 -1.692 5.697 297 HB3 LEU 38 HB1 LEU 38 -8.200 -3.365 5.178 298 HG LEU 38 HG LEU 38 -10.761 -1.773 5.272 299 HD11 LEU 38 HD11 LEU 38 -10.511 -1.454 2.872 300 HD12 LEU 38 HD12 LEU 38 -8.921 -2.215 2.925 301 HD13 LEU 38 HD13 LEU 38 -9.193 -0.682 3.753 302 HD21 LEU 38 HD21 LEU 38 -11.015 -4.207 5.290 303 HD22 LEU 38 HD22 LEU 38 -10.009 -4.320 3.846 304 HD23 LEU 38 HD23 LEU 38 -11.573 -3.512 3.767 305 H LEU 39 HN LEU 39 -7.453 -1.654 8.286 306 HA LEU 39 HA LEU 39 -5.840 -3.944 9.169 307 HB2 LEU 39 HB2 LEU 39 -4.761 -1.296 8.185 308 HB3 LEU 39 HB1 LEU 39 -3.807 -2.638 8.790 309 HG LEU 39 HG LEU 39 -5.460 -2.636 6.263 310 HD11 LEU 39 HD11 LEU 39 -2.470 -2.776 6.571 311 HD12 LEU 39 HD12 LEU 39 -3.355 -1.293 6.216 312 HD13 LEU 39 HD13 LEU 39 -3.394 -2.638 5.076 313 HD21 LEU 39 HD21 LEU 39 -5.491 -4.848 6.549 314 HD22 LEU 39 HD22 LEU 39 -4.304 -4.789 7.848 315 HD23 LEU 39 HD23 LEU 39 -3.770 -4.797 6.166 316 H MET 40 HN MET 40 -4.711 -3.604 11.167 317 HA MET 40 HA MET 40 -5.947 -1.460 12.774 318 HB2 MET 40 HB2 MET 40 -6.518 -3.855 13.372 319 HB3 MET 40 HB1 MET 40 -4.835 -4.056 13.840 320 HG2 MET 40 HG2 MET 40 -5.170 -2.122 15.420 321 HG3 MET 40 HG1 MET 40 -6.894 -2.253 15.074 322 HE1 MET 40 HE1 MET 40 -4.345 -5.453 17.197 323 HE2 MET 40 HE2 MET 40 -3.826 -3.786 16.959 324 HE3 MET 40 HE3 MET 40 -4.000 -4.860 15.572 325 H SER 41 HN SER 41 -2.979 -3.070 11.912 326 HA SER 41 HA SER 41 -1.500 -0.997 13.396 327 HB2 SER 41 HB2 SER 41 0.324 -2.757 13.611 328 HB3 SER 41 HB1 SER 41 -1.123 -3.025 14.587 329 HG SER 41 HG SER 41 -1.492 -4.166 12.198 330 HA PRO 42 HA PRO 42 0.526 -0.001 9.599 331 HB2 PRO 42 HB2 PRO 42 3.091 0.199 11.028 332 HB3 PRO 42 HB1 PRO 42 2.150 1.472 10.232 333 HG2 PRO 42 HG2 PRO 42 2.364 1.360 12.882 334 HG3 PRO 42 HG1 PRO 42 0.867 1.881 12.084 335 HD2 PRO 42 HD2 PRO 42 1.515 -0.763 13.316 336 HD3 PRO 42 HD1 PRO 42 0.021 0.194 13.404 337 H SER 43 HN SER 43 1.643 -2.602 11.549 338 HA SER 43 HA SER 43 3.572 -3.562 9.626 339 HB2 SER 43 HB2 SER 43 3.285 -5.597 11.386 340 HB3 SER 43 HB1 SER 43 4.342 -4.213 11.657 341 HG SER 43 HG SER 43 1.991 -4.911 12.910 342 H ASP 44 HN ASP 44 0.271 -3.625 9.777 343 HA ASP 44 HA ASP 44 -0.290 -6.326 9.091 344 HB2 ASP 44 HB2 ASP 44 -1.808 -3.752 8.950 345 HB3 ASP 44 HB1 ASP 44 -2.427 -5.153 8.085 346 H LEU 45 HN LEU 45 1.117 -3.773 7.384 347 HA LEU 45 HA LEU 45 0.293 -4.448 4.748 348 HB2 LEU 45 HB2 LEU 45 1.876 -2.464 5.990 349 HB3 LEU 45 HB1 LEU 45 2.902 -3.250 4.808 350 HG LEU 45 HG LEU 45 1.820 -1.266 3.880 351 HD11 LEU 45 HD11 LEU 45 2.364 -3.082 2.375 352 HD12 LEU 45 HD12 LEU 45 0.877 -2.284 1.866 353 HD13 LEU 45 HD13 LEU 45 0.804 -3.843 2.691 354 HD21 LEU 45 HD21 LEU 45 -0.197 -1.214 5.194 355 HD22 LEU 45 HD22 LEU 45 -0.752 -2.722 4.474 356 HD23 LEU 45 HD23 LEU 45 -0.615 -1.269 3.483 357 H TYR 46 HN TYR 46 2.387 -5.913 6.971 358 HA TYR 46 HA TYR 46 3.941 -7.267 4.882 359 HB2 TYR 46 HB2 TYR 46 4.288 -7.408 7.884 360 HB3 TYR 46 HB1 TYR 46 5.389 -8.043 6.670 361 HD1 TYR 46 HD1 TYR 46 6.685 -6.459 5.236 362 HD2 TYR 46 HD2 TYR 46 4.376 -5.133 8.553 363 HE1 TYR 46 HE1 TYR 46 7.921 -4.333 5.239 364 HE2 TYR 46 HE2 TYR 46 5.600 -3.005 8.567 365 HH TYR 46 HH TYR 46 7.811 -2.154 7.810 366 H SER 47 HN SER 47 1.032 -7.718 5.815 367 HA SER 47 HA SER 47 1.263 -10.561 6.504 368 HB2 SER 47 HB2 SER 47 -1.209 -8.826 6.626 369 HB3 SER 47 HB1 SER 47 -0.988 -10.424 7.335 370 HG SER 47 HG SER 47 -0.522 -9.222 9.027 371 HA PRO 48 HA PRO 48 0.386 -11.034 2.063 372 HB2 PRO 48 HB2 PRO 48 0.729 -13.883 2.835 373 HB3 PRO 48 HB1 PRO 48 1.532 -12.954 1.555 374 HG2 PRO 48 HG2 PRO 48 2.839 -13.645 3.749 375 HG3 PRO 48 HG1 PRO 48 3.096 -12.061 2.984 376 HD2 PRO 48 HD2 PRO 48 1.498 -12.743 5.418 377 HD3 PRO 48 HD1 PRO 48 2.560 -11.353 5.118 378 H GLY 49 HN GLY 49 -1.129 -12.643 4.783 379 HA2 GLY 49 HA2 GLY 49 -3.311 -13.635 3.134 380 HA3 GLY 49 HA1 GLY 49 -3.120 -13.883 4.862 381 H SER 50 HN SER 50 -2.734 -10.660 3.753 382 HA SER 50 HA SER 50 -5.524 -10.038 4.433 383 HB2 SER 50 HB2 SER 50 -3.197 -8.349 5.360 384 HB3 SER 50 HB1 SER 50 -4.881 -8.255 5.874 385 HG SER 50 HG SER 50 -4.096 -10.713 6.363 386 H TRP 51 HN TRP 51 -3.698 -10.120 1.918 387 HA TRP 51 HA TRP 51 -3.864 -7.314 1.117 388 HB2 TRP 51 HB2 TRP 51 -2.556 -9.719 -0.144 389 HB3 TRP 51 HB1 TRP 51 -2.662 -8.158 -0.952 390 HD1 TRP 51 HD1 TRP 51 -2.078 -6.434 1.763 391 HE1 TRP 51 HE1 TRP 51 0.347 -6.317 2.620 392 HE3 TRP 51 HE3 TRP 51 -0.185 -10.560 -0.599 393 HZ2 TRP 51 HZ2 TRP 51 2.735 -7.774 2.339 394 HZ3 TRP 51 HZ3 TRP 51 2.188 -11.120 -0.253 395 HH2 TRP 51 HH2 TRP 51 3.613 -9.750 1.185 396 H ASP 52 HN ASP 52 -5.229 -10.450 0.303 397 HA ASP 52 HA ASP 52 -6.548 -9.720 -2.057 398 HB2 ASP 52 HB2 ASP 52 -6.307 -12.070 -1.359 399 HB3 ASP 52 HB1 ASP 52 -7.427 -11.793 -0.028 400 HA PRO 53 HA PRO 53 -10.507 -8.823 0.774 401 HB2 PRO 53 HB2 PRO 53 -9.624 -7.672 3.184 402 HB3 PRO 53 HB1 PRO 53 -10.351 -9.278 3.001 403 HG2 PRO 53 HG2 PRO 53 -7.496 -8.516 3.222 404 HG3 PRO 53 HG1 PRO 53 -8.338 -9.959 3.821 405 HD2 PRO 53 HD2 PRO 53 -6.766 -10.077 1.661 406 HD3 PRO 53 HD1 PRO 53 -8.269 -11.021 1.767 407 H ILE 54 HN ILE 54 -7.567 -6.904 1.439 408 HA ILE 54 HA ILE 54 -8.813 -4.388 1.335 409 HB ILE 54 HB ILE 54 -5.934 -5.091 0.766 410 HG12 ILE 54 HG12 ILE 54 -7.261 -4.086 3.296 411 HG13 ILE 54 HG11 ILE 54 -6.724 -5.740 3.014 412 HG21 ILE 54 HG21 ILE 54 -6.519 -2.909 -0.158 413 HG22 ILE 54 HG22 ILE 54 -5.455 -2.736 1.236 414 HG23 ILE 54 HG23 ILE 54 -7.180 -2.420 1.402 415 HD11 ILE 54 HD11 ILE 54 -4.428 -5.005 2.880 416 HD12 ILE 54 HD12 ILE 54 -5.158 -4.452 4.388 417 HD13 ILE 54 HD13 ILE 54 -4.936 -3.324 3.052 418 H THR 55 HN THR 55 -6.884 -6.076 -1.150 419 HA THR 55 HA THR 55 -7.151 -4.174 -3.162 420 HB THR 55 HB THR 55 -6.991 -7.156 -3.608 421 HG1 THR 55 HG1 THR 55 -5.255 -6.848 -2.373 422 HG21 THR 55 HG21 THR 55 -5.718 -6.483 -5.618 423 HG22 THR 55 HG22 THR 55 -6.040 -4.792 -5.237 424 HG23 THR 55 HG23 THR 55 -7.372 -5.873 -5.644 425 H ALA 56 HN ALA 56 -9.227 -6.980 -2.445 426 HA ALA 56 HA ALA 56 -11.003 -6.601 -4.611 427 HB1 ALA 56 HB1 ALA 56 -12.540 -8.055 -3.329 428 HB2 ALA 56 HB2 ALA 56 -11.449 -7.945 -1.947 429 HB3 ALA 56 HB3 ALA 56 -10.905 -8.709 -3.439 430 H ALA 57 HN ALA 57 -11.076 -5.439 -1.259 431 HA ALA 57 HA ALA 57 -13.622 -4.226 -1.389 432 HB1 ALA 57 HB1 ALA 57 -11.277 -3.467 0.347 433 HB2 ALA 57 HB2 ALA 57 -12.450 -4.730 0.717 434 HB3 ALA 57 HB3 ALA 57 -12.965 -3.047 0.626 435 H LEU 58 HN LEU 58 -10.353 -2.949 -1.867 436 HA LEU 58 HA LEU 58 -11.083 -0.293 -2.371 437 HB2 LEU 58 HB2 LEU 58 -8.687 -1.941 -3.086 438 HB3 LEU 58 HB1 LEU 58 -8.844 -0.294 -3.659 439 HG LEU 58 HG LEU 58 -8.783 -1.153 -0.768 440 HD11 LEU 58 HD11 LEU 58 -6.623 -1.325 -1.936 441 HD12 LEU 58 HD12 LEU 58 -6.628 -0.071 -0.696 442 HD13 LEU 58 HD13 LEU 58 -6.763 0.372 -2.397 443 HD21 LEU 58 HD21 LEU 58 -10.083 0.756 -0.716 444 HD22 LEU 58 HD22 LEU 58 -9.274 1.467 -2.109 445 HD23 LEU 58 HD23 LEU 58 -8.459 1.423 -0.546 446 H SER 59 HN SER 59 -10.708 -3.054 -4.562 447 HA SER 59 HA SER 59 -11.008 -1.636 -6.975 448 HB2 SER 59 HB2 SER 59 -11.774 -4.497 -6.352 449 HB3 SER 59 HB1 SER 59 -11.577 -3.820 -7.968 450 HG SER 59 HG SER 59 -9.551 -3.994 -5.974 451 H GLN 60 HN GLN 60 -13.341 -3.030 -4.742 452 HA GLN 60 HA GLN 60 -15.625 -2.536 -6.373 453 HB2 GLN 60 HB2 GLN 60 -15.465 -4.185 -4.457 454 HB3 GLN 60 HB1 GLN 60 -15.551 -2.808 -3.369 455 HG2 GLN 60 HG2 GLN 60 -17.732 -2.215 -4.337 456 HG3 GLN 60 HG1 GLN 60 -17.650 -3.657 -5.345 457 HE21 GLN 60 HE21 GLN 60 -16.513 -3.509 -2.035 458 HE22 GLN 60 HE22 GLN 60 -17.718 -4.555 -1.376 459 H ARG 61 HN ARG 61 -14.104 -0.857 -3.651 460 HA ARG 61 HA ARG 61 -15.904 1.267 -3.404 461 HB2 ARG 61 HB2 ARG 61 -14.251 0.863 -1.703 462 HB3 ARG 61 HB1 ARG 61 -12.938 1.089 -2.847 463 HG2 ARG 61 HG2 ARG 61 -13.625 3.466 -3.077 464 HG3 ARG 61 HG1 ARG 61 -14.810 3.203 -1.798 465 HD2 ARG 61 HD2 ARG 61 -13.017 2.555 -0.268 466 HD3 ARG 61 HD1 ARG 61 -11.834 2.801 -1.547 467 HE ARG 61 HE ARG 61 -12.312 5.159 -1.459 468 HH11 ARG 61 HH11 ARG 61 -13.573 3.244 1.180 469 HH12 ARG 61 HH12 ARG 61 -13.723 4.592 2.260 470 HH21 ARG 61 HH21 ARG 61 -12.510 6.944 -0.036 471 HH22 ARG 61 HH22 ARG 61 -13.126 6.699 1.567 472 H ALA 62 HN ALA 62 -13.036 0.895 -5.422 473 HA ALA 62 HA ALA 62 -12.909 3.482 -6.473 474 HB1 ALA 62 HB1 ALA 62 -12.067 0.892 -7.760 475 HB2 ALA 62 HB2 ALA 62 -11.096 1.871 -6.660 476 HB3 ALA 62 HB3 ALA 62 -11.546 2.505 -8.243 477 H MET 63 HN MET 63 -14.661 0.629 -7.689 478 HA MET 63 HA MET 63 -15.565 2.035 -10.021 479 HB2 MET 63 HB2 MET 63 -16.775 0.060 -10.594 480 HB3 MET 63 HB1 MET 63 -15.216 -0.432 -9.953 481 HG2 MET 63 HG2 MET 63 -16.220 -1.029 -7.847 482 HG3 MET 63 HG1 MET 63 -17.784 -0.425 -8.387 483 HE1 MET 63 HE1 MET 63 -15.132 -2.448 -10.463 484 HE2 MET 63 HE2 MET 63 -15.695 -4.104 -10.234 485 HE3 MET 63 HE3 MET 63 -15.032 -3.205 -8.872 486 H ILE 64 HN ILE 64 -16.827 1.533 -6.804 487 HA ILE 64 HA ILE 64 -19.499 2.337 -7.528 488 HB ILE 64 HB ILE 64 -18.215 1.916 -4.830 489 HG12 ILE 64 HG12 ILE 64 -20.230 0.277 -6.387 490 HG13 ILE 64 HG11 ILE 64 -18.525 -0.116 -6.201 491 HG21 ILE 64 HG21 ILE 64 -20.498 2.019 -3.909 492 HG22 ILE 64 HG22 ILE 64 -21.099 2.508 -5.494 493 HG23 ILE 64 HG23 ILE 64 -19.994 3.558 -4.607 494 HD11 ILE 64 HD11 ILE 64 -20.584 -0.001 -4.011 495 HD12 ILE 64 HD12 ILE 64 -18.869 -0.337 -3.777 496 HD13 ILE 64 HD13 ILE 64 -19.867 -1.453 -4.710 497 H LEU 65 HN LEU 65 -16.823 3.822 -5.711 498 HA LEU 65 HA LEU 65 -18.241 6.306 -5.452 499 HB2 LEU 65 HB2 LEU 65 -16.328 5.212 -3.966 500 HB3 LEU 65 HB1 LEU 65 -15.296 6.136 -5.040 501 HG LEU 65 HG LEU 65 -16.356 8.208 -4.354 502 HD11 LEU 65 HD11 LEU 65 -18.156 6.405 -2.754 503 HD12 LEU 65 HD12 LEU 65 -18.608 7.578 -3.991 504 HD13 LEU 65 HD13 LEU 65 -17.988 8.131 -2.436 505 HD21 LEU 65 HD21 LEU 65 -15.645 6.541 -1.942 506 HD22 LEU 65 HD22 LEU 65 -15.576 8.300 -2.069 507 HD23 LEU 65 HD23 LEU 65 -14.484 7.304 -3.026 508 H GLY 66 HN GLY 66 -16.037 4.905 -7.728 509 HA2 GLY 66 HA2 GLY 66 -15.591 5.652 -9.880 510 HA3 GLY 66 HA1 GLY 66 -16.440 7.144 -9.510 511 H LYS 67 HN LYS 67 -13.621 5.577 -8.025 512 HA LYS 67 HA LYS 67 -11.740 7.407 -9.084 513 HB2 LYS 67 HB2 LYS 67 -11.145 8.504 -6.888 514 HB3 LYS 67 HB1 LYS 67 -12.640 9.054 -7.624 515 HG2 LYS 67 HG2 LYS 67 -13.955 7.846 -6.068 516 HG3 LYS 67 HG1 LYS 67 -12.549 6.968 -5.470 517 HD2 LYS 67 HD2 LYS 67 -13.121 8.674 -3.880 518 HD3 LYS 67 HD1 LYS 67 -11.609 9.124 -4.671 519 HE2 LYS 67 HE2 LYS 67 -13.354 10.349 -6.302 520 HE3 LYS 67 HE1 LYS 67 -14.283 10.386 -4.804 521 HZ1 LYS 67 HZ1 LYS 67 -12.967 12.366 -4.981 522 HZ2 LYS 67 HZ2 LYS 67 -11.550 11.473 -5.211 523 HZ3 LYS 67 HZ3 LYS 67 -12.350 11.423 -3.721 524 H SER 68 HN SER 68 -9.675 6.664 -8.782 525 HA SER 68 HA SER 68 -9.378 4.394 -6.935 526 HB2 SER 68 HB2 SER 68 -7.653 3.625 -8.782 527 HB3 SER 68 HB1 SER 68 -9.372 3.260 -8.941 528 HG SER 68 HG SER 68 -9.589 4.824 -10.440 529 H GLY 69 HN GLY 69 -8.647 7.256 -6.619 530 HA2 GLY 69 HA2 GLY 69 -5.890 7.664 -6.934 531 HA3 GLY 69 HA1 GLY 69 -6.899 8.464 -5.738 532 H GLU 70 HN GLU 70 -7.708 6.235 -4.279 533 HA GLU 70 HA GLU 70 -5.433 5.826 -2.613 534 HB2 GLU 70 HB2 GLU 70 -8.117 4.435 -2.499 535 HB3 GLU 70 HB1 GLU 70 -6.934 4.529 -1.204 536 HG2 GLU 70 HG2 GLU 70 -8.364 6.153 -0.534 537 HG3 GLU 70 HG1 GLU 70 -7.284 7.119 -1.536 538 H LEU 71 HN LEU 71 -6.732 4.184 -5.300 539 HA LEU 71 HA LEU 71 -5.608 1.602 -4.618 540 HB2 LEU 71 HB2 LEU 71 -7.215 2.661 -6.902 541 HB3 LEU 71 HB1 LEU 71 -6.318 1.169 -7.104 542 HG LEU 71 HG LEU 71 -7.540 0.384 -4.973 543 HD11 LEU 71 HD11 LEU 71 -8.454 2.476 -4.241 544 HD12 LEU 71 HD12 LEU 71 -9.784 1.420 -4.719 545 HD13 LEU 71 HD13 LEU 71 -9.260 2.720 -5.789 546 HD21 LEU 71 HD21 LEU 71 -9.406 -0.421 -6.292 547 HD22 LEU 71 HD22 LEU 71 -7.916 -0.490 -7.235 548 HD23 LEU 71 HD23 LEU 71 -9.086 0.799 -7.525 549 H LYS 72 HN LYS 72 -4.824 4.371 -6.585 550 HA LYS 72 HA LYS 72 -2.914 3.349 -8.312 551 HB2 LYS 72 HB2 LYS 72 -3.168 6.009 -6.931 552 HB3 LYS 72 HB1 LYS 72 -1.821 5.673 -8.007 553 HG2 LYS 72 HG2 LYS 72 -4.230 4.930 -9.319 554 HG3 LYS 72 HG1 LYS 72 -4.417 6.561 -8.668 555 HD2 LYS 72 HD2 LYS 72 -2.098 5.635 -10.367 556 HD3 LYS 72 HD1 LYS 72 -3.494 6.527 -10.970 557 HE2 LYS 72 HE2 LYS 72 -2.954 8.402 -9.517 558 HE3 LYS 72 HE1 LYS 72 -1.598 7.507 -8.839 559 HZ1 LYS 72 HZ1 LYS 72 -0.516 7.528 -10.967 560 HZ2 LYS 72 HZ2 LYS 72 -0.925 9.113 -10.543 561 HZ3 LYS 72 HZ3 LYS 72 -1.850 8.283 -11.688 562 H THR 73 HN THR 73 -2.446 4.614 -5.034 563 HA THR 73 HA THR 73 0.315 4.026 -4.907 564 HB THR 73 HB THR 73 -1.547 4.277 -2.543 565 HG1 THR 73 HG1 THR 73 -0.308 6.363 -4.062 566 HG21 THR 73 HG21 THR 73 1.356 5.045 -2.927 567 HG22 THR 73 HG22 THR 73 0.780 3.627 -2.052 568 HG23 THR 73 HG23 THR 73 0.412 5.239 -1.446 569 H TRP 74 HN TRP 74 -2.577 2.295 -3.812 570 HA TRP 74 HA TRP 74 -1.330 0.221 -2.431 571 HB2 TRP 74 HB2 TRP 74 -3.740 0.636 -2.291 572 HB3 TRP 74 HB1 TRP 74 -3.931 0.154 -3.974 573 HD1 TRP 74 HD1 TRP 74 -4.637 -2.287 -4.310 574 HE1 TRP 74 HE1 TRP 74 -4.539 -4.457 -2.916 575 HE3 TRP 74 HE3 TRP 74 -2.080 -0.519 -0.251 576 HZ2 TRP 74 HZ2 TRP 74 -3.519 -5.287 -0.414 577 HZ3 TRP 74 HZ3 TRP 74 -1.588 -2.062 1.597 578 HH2 TRP 74 HH2 TRP 74 -2.292 -4.392 1.518 579 H GLY 75 HN GLY 75 -2.324 0.381 -5.848 580 HA2 GLY 75 HA2 GLY 75 -1.581 -2.203 -6.599 581 HA3 GLY 75 HA1 GLY 75 -1.630 -0.821 -7.680 582 H LEU 76 HN LEU 76 0.362 0.746 -6.474 583 HA LEU 76 HA LEU 76 2.680 -0.373 -7.659 584 HB2 LEU 76 HB2 LEU 76 2.372 1.979 -5.789 585 HB3 LEU 76 HB1 LEU 76 3.847 1.580 -6.645 586 HG LEU 76 HG LEU 76 1.252 2.215 -8.043 587 HD11 LEU 76 HD11 LEU 76 2.008 4.138 -6.717 588 HD12 LEU 76 HD12 LEU 76 2.149 4.430 -8.449 589 HD13 LEU 76 HD13 LEU 76 3.585 4.046 -7.501 590 HD21 LEU 76 HD21 LEU 76 2.795 0.919 -9.376 591 HD22 LEU 76 HD22 LEU 76 4.109 2.029 -8.988 592 HD23 LEU 76 HD23 LEU 76 2.748 2.580 -9.966 593 H VAL 77 HN VAL 77 1.679 0.071 -4.282 594 HA VAL 77 HA VAL 77 4.045 -1.003 -3.142 595 HB VAL 77 HB VAL 77 1.270 -0.812 -1.954 596 HG11 VAL 77 HG11 VAL 77 3.935 -1.345 -0.655 597 HG12 VAL 77 HG12 VAL 77 2.539 -2.420 -0.707 598 HG13 VAL 77 HG13 VAL 77 2.467 -0.925 0.225 599 HG21 VAL 77 HG21 VAL 77 2.042 1.224 -0.909 600 HG22 VAL 77 HG22 VAL 77 2.235 1.344 -2.658 601 HG23 VAL 77 HG23 VAL 77 3.637 1.027 -1.634 602 H LEU 78 HN LEU 78 0.900 -2.391 -3.970 603 HA LEU 78 HA LEU 78 1.235 -4.950 -2.914 604 HB2 LEU 78 HB2 LEU 78 -0.868 -3.932 -3.890 605 HB3 LEU 78 HB1 LEU 78 -0.218 -4.299 -5.476 606 HG LEU 78 HG LEU 78 -0.117 -6.727 -4.719 607 HD11 LEU 78 HD11 LEU 78 -1.945 -5.664 -2.571 608 HD12 LEU 78 HD12 LEU 78 -0.323 -6.310 -2.320 609 HD13 LEU 78 HD13 LEU 78 -1.609 -7.364 -2.905 610 HD21 LEU 78 HD21 LEU 78 -2.487 -7.086 -5.218 611 HD22 LEU 78 HD22 LEU 78 -1.774 -5.888 -6.295 612 HD23 LEU 78 HD23 LEU 78 -2.800 -5.370 -4.959 613 H GLY 79 HN GLY 79 2.073 -3.689 -6.124 614 HA2 GLY 79 HA2 GLY 79 3.027 -6.088 -7.224 615 HA3 GLY 79 HA1 GLY 79 3.508 -4.475 -7.734 616 H ALA 80 HN ALA 80 4.708 -3.581 -5.369 617 HA ALA 80 HA ALA 80 7.298 -4.667 -5.622 618 HB1 ALA 80 HB1 ALA 80 6.194 -2.986 -3.373 619 HB2 ALA 80 HB2 ALA 80 6.847 -2.358 -4.887 620 HB3 ALA 80 HB3 ALA 80 7.896 -3.225 -3.762 621 H LEU 81 HN LEU 81 4.724 -5.135 -3.262 622 HA LEU 81 HA LEU 81 6.165 -6.758 -1.460 623 HB2 LEU 81 HB2 LEU 81 3.213 -6.580 -2.049 624 HB3 LEU 81 HB1 LEU 81 3.884 -7.526 -0.737 625 HG LEU 81 HG LEU 81 4.355 -4.565 -0.970 626 HD11 LEU 81 HD11 LEU 81 1.949 -4.938 -0.899 627 HD12 LEU 81 HD12 LEU 81 2.529 -4.250 0.615 628 HD13 LEU 81 HD13 LEU 81 2.141 -5.966 0.520 629 HD21 LEU 81 HD21 LEU 81 5.877 -5.780 0.486 630 HD22 LEU 81 HD22 LEU 81 4.510 -6.498 1.337 631 HD23 LEU 81 HD23 LEU 81 4.793 -4.759 1.432 632 H LYS 82 HN LYS 82 4.052 -7.547 -4.202 633 HA LYS 82 HA LYS 82 4.110 -10.332 -3.960 634 HB2 LYS 82 HB2 LYS 82 3.691 -8.484 -6.287 635 HB3 LYS 82 HB1 LYS 82 3.728 -10.224 -6.524 636 HG2 LYS 82 HG2 LYS 82 1.999 -9.758 -4.366 637 HG3 LYS 82 HG1 LYS 82 1.592 -8.570 -5.603 638 HD2 LYS 82 HD2 LYS 82 1.219 -10.271 -7.222 639 HD3 LYS 82 HD1 LYS 82 1.908 -11.511 -6.172 640 HE2 LYS 82 HE2 LYS 82 0.065 -11.107 -4.563 641 HE3 LYS 82 HE1 LYS 82 -0.645 -9.972 -5.708 642 HZ1 LYS 82 HZ1 LYS 82 -0.996 -11.713 -7.265 643 HZ2 LYS 82 HZ2 LYS 82 -1.596 -12.255 -5.781 644 HZ3 LYS 82 HZ3 LYS 82 -0.105 -12.818 -6.344 645 H ALA 83 HN ALA 83 6.333 -8.126 -5.571 646 HA ALA 83 HA ALA 83 7.908 -10.129 -6.815 647 HB1 ALA 83 HB1 ALA 83 8.654 -7.309 -6.046 648 HB2 ALA 83 HB2 ALA 83 7.894 -7.797 -7.561 649 HB3 ALA 83 HB3 ALA 83 9.527 -8.340 -7.178 650 H ALA 84 HN ALA 84 8.335 -8.258 -3.824 651 HA ALA 84 HA ALA 84 10.781 -9.436 -3.072 652 HB1 ALA 84 HB1 ALA 84 8.699 -8.154 -1.309 653 HB2 ALA 84 HB2 ALA 84 9.982 -7.306 -2.173 654 HB3 ALA 84 HB3 ALA 84 10.386 -8.445 -0.888 655 H ARG 85 HN ARG 85 7.423 -10.282 -2.310 656 HA ARG 85 HA ARG 85 8.139 -12.318 -0.433 657 HB2 ARG 85 HB2 ARG 85 5.558 -11.666 -1.849 658 HB3 ARG 85 HB1 ARG 85 5.707 -12.994 -0.705 659 HG2 ARG 85 HG2 ARG 85 6.306 -10.118 -0.054 660 HG3 ARG 85 HG1 ARG 85 4.766 -10.919 0.262 661 HD2 ARG 85 HD2 ARG 85 5.788 -12.448 1.782 662 HD3 ARG 85 HD1 ARG 85 7.403 -11.897 1.337 663 HE ARG 85 HE ARG 85 6.340 -9.642 2.260 664 HH11 ARG 85 HH11 ARG 85 6.215 -12.337 5.235 665 HH12 ARG 85 HH12 ARG 85 6.295 -12.880 3.592 666 HH21 ARG 85 HH21 ARG 85 6.197 -10.088 5.707 667 HH22 ARG 85 HH22 ARG 85 6.261 -8.929 4.415 668 H GLU 86 HN GLU 86 8.242 -12.203 -3.794 669 HA GLU 86 HA GLU 86 7.763 -15.061 -4.119 670 HB2 GLU 86 HB2 GLU 86 7.007 -13.220 -5.762 671 HB3 GLU 86 HB1 GLU 86 8.685 -13.186 -6.283 672 HG2 GLU 86 HG2 GLU 86 8.539 -15.587 -6.823 673 HG3 GLU 86 HG1 GLU 86 6.834 -15.559 -6.377 674 H GLU 87 HN GLU 87 10.300 -12.916 -3.501 675 HA GLU 87 HA GLU 87 12.338 -14.721 -4.568 676 HB2 GLU 87 HB2 GLU 87 12.489 -11.941 -3.400 677 HB3 GLU 87 HB1 GLU 87 13.911 -12.884 -3.818 678 HG2 GLU 87 HG2 GLU 87 13.019 -13.004 -6.164 679 HG3 GLU 87 HG1 GLU 87 11.787 -11.842 -5.675 680 H1 FGV 101 H1 IP3 1 13.209 9.921 -1.192 681 H2 FGV 101 H2 IP3 1 14.003 8.304 0.501 682 H3 FGV 101 H3 IP3 1 13.005 10.396 1.308 683 H4 FGV 101 H4 IP3 1 10.374 8.859 1.416 684 H5 FGV 101 H5 IP3 1 11.218 11.241 -0.309 685 H6 FGV 101 H6 IP3 1 10.576 8.362 -1.116 686 H11 FGV 101 H11 IP3 1 16.075 7.419 -4.084 687 H12 FGV 101 H12 IP3 1 12.057 6.963 -0.346 688 H14 FGV 101 H14 IP3 1 10.201 11.507 1.652 689 H16 FGV 101 H16 IP3 1 10.288 10.539 -2.368 Start of MODEL 18 1 H1 SER 1 HT1 SER 1 1.923 4.522 10.228 2 H2 SER 1 HT2 SER 1 3.548 4.155 9.952 3 H3 SER 1 HT3 SER 1 2.777 5.335 9.014 4 HA SER 1 HA SER 1 2.448 6.678 11.007 5 HB2 SER 1 HB2 SER 1 4.480 5.313 12.584 6 HB3 SER 1 HB1 SER 1 2.868 5.852 13.052 7 HG SER 1 HG SER 1 2.618 3.730 13.172 8 H GLU 2 HN GLU 2 5.633 5.008 10.791 9 HA GLU 2 HA GLU 2 6.717 7.219 9.283 10 HB2 GLU 2 HB2 GLU 2 8.605 7.377 11.134 11 HB3 GLU 2 HB1 GLU 2 7.160 8.375 11.192 12 HG2 GLU 2 HG2 GLU 2 6.715 7.588 13.206 13 HG3 GLU 2 HG1 GLU 2 6.570 5.964 12.537 14 H ALA 3 HN ALA 3 7.858 4.530 11.356 15 HA ALA 3 HA ALA 3 10.177 3.977 9.921 16 HB1 ALA 3 HB1 ALA 3 10.227 1.862 11.074 17 HB2 ALA 3 HB2 ALA 3 8.513 2.002 11.468 18 HB3 ALA 3 HB3 ALA 3 9.677 3.124 12.174 19 H VAL 4 HN VAL 4 6.984 2.425 9.613 20 HA VAL 4 HA VAL 4 7.736 0.606 7.610 21 HB VAL 4 HB VAL 4 5.010 1.751 8.234 22 HG11 VAL 4 HG11 VAL 4 5.709 -0.687 6.591 23 HG12 VAL 4 HG12 VAL 4 5.054 0.827 5.966 24 HG13 VAL 4 HG13 VAL 4 4.084 -0.171 7.046 25 HG21 VAL 4 HG21 VAL 4 4.686 -0.388 9.418 26 HG22 VAL 4 HG22 VAL 4 6.000 0.567 10.102 27 HG23 VAL 4 HG23 VAL 4 6.361 -0.817 9.071 28 H ILE 5 HN ILE 5 6.806 3.981 7.419 29 HA ILE 5 HA ILE 5 6.132 4.111 4.697 30 HB ILE 5 HB ILE 5 7.535 6.279 6.267 31 HG12 ILE 5 HG12 ILE 5 4.568 5.732 6.002 32 HG13 ILE 5 HG11 ILE 5 5.525 5.518 7.465 33 HG21 ILE 5 HG21 ILE 5 5.732 6.435 3.857 34 HG22 ILE 5 HG22 ILE 5 7.483 6.633 3.847 35 HG23 ILE 5 HG23 ILE 5 6.472 7.803 4.692 36 HD11 ILE 5 HD11 ILE 5 4.835 8.091 6.077 37 HD12 ILE 5 HD12 ILE 5 6.042 7.972 7.355 38 HD13 ILE 5 HD13 ILE 5 4.361 7.561 7.692 39 H LYS 6 HN LYS 6 9.254 4.532 6.335 40 HA LYS 6 HA LYS 6 10.747 5.037 3.992 41 HB2 LYS 6 HB2 LYS 6 11.338 4.404 6.819 42 HB3 LYS 6 HB1 LYS 6 12.604 4.001 5.666 43 HG2 LYS 6 HG2 LYS 6 11.335 6.721 5.921 44 HG3 LYS 6 HG1 LYS 6 12.861 6.239 6.672 45 HD2 LYS 6 HD2 LYS 6 13.788 5.753 4.461 46 HD3 LYS 6 HD1 LYS 6 12.269 6.243 3.714 47 HE2 LYS 6 HE2 LYS 6 12.568 8.495 4.693 48 HE3 LYS 6 HE1 LYS 6 14.137 7.982 5.310 49 HZ1 LYS 6 HZ1 LYS 6 13.359 8.045 2.450 50 HZ2 LYS 6 HZ2 LYS 6 14.869 7.584 3.051 51 HZ3 LYS 6 HZ3 LYS 6 14.344 9.184 3.222 52 H VAL 7 HN VAL 7 9.831 2.103 5.671 53 HA VAL 7 HA VAL 7 11.524 0.312 4.299 54 HB VAL 7 HB VAL 7 8.781 -0.218 5.473 55 HG11 VAL 7 HG11 VAL 7 9.452 -2.550 5.556 56 HG12 VAL 7 HG12 VAL 7 10.998 -2.153 4.807 57 HG13 VAL 7 HG13 VAL 7 9.501 -1.955 3.896 58 HG21 VAL 7 HG21 VAL 7 10.307 0.680 7.132 59 HG22 VAL 7 HG22 VAL 7 11.532 -0.505 6.679 60 HG23 VAL 7 HG23 VAL 7 10.026 -1.035 7.430 61 H ILE 8 HN ILE 8 8.136 1.242 3.723 62 HA ILE 8 HA ILE 8 7.766 -0.263 1.381 63 HB ILE 8 HB ILE 8 6.430 2.319 2.220 64 HG12 ILE 8 HG12 ILE 8 6.097 0.538 3.844 65 HG13 ILE 8 HG11 ILE 8 4.599 0.831 2.966 66 HG21 ILE 8 HG21 ILE 8 6.158 1.960 -0.166 67 HG22 ILE 8 HG22 ILE 8 4.632 1.699 0.680 68 HG23 ILE 8 HG23 ILE 8 5.582 0.319 0.132 69 HD11 ILE 8 HD11 ILE 8 5.167 -1.128 1.520 70 HD12 ILE 8 HD12 ILE 8 4.858 -1.512 3.213 71 HD13 ILE 8 HD13 ILE 8 6.514 -1.459 2.610 72 H SER 9 HN SER 9 8.855 3.067 1.874 73 HA SER 9 HA SER 9 9.002 3.860 -0.794 74 HB2 SER 9 HB2 SER 9 10.798 4.703 1.494 75 HB3 SER 9 HB1 SER 9 10.578 5.577 -0.021 76 HG SER 9 HG SER 9 8.660 5.107 2.018 77 H SER 10 HN SER 10 11.548 2.430 1.248 78 HA SER 10 HA SER 10 13.529 2.345 -0.738 79 HB2 SER 10 HB2 SER 10 13.220 0.465 1.616 80 HB3 SER 10 HB1 SER 10 14.707 0.819 0.735 81 HG SER 10 HG SER 10 13.218 2.513 2.447 82 H ALA 11 HN ALA 11 11.055 -0.010 0.199 83 HA ALA 11 HA ALA 11 11.924 -2.145 -1.382 84 HB1 ALA 11 HB1 ALA 11 10.218 -2.349 0.373 85 HB2 ALA 11 HB2 ALA 11 9.677 -3.032 -1.160 86 HB3 ALA 11 HB3 ALA 11 9.084 -1.455 -0.638 87 H CYS 12 HN CYS 12 9.411 0.291 -2.151 88 HA CYS 12 HA CYS 12 9.022 -0.632 -4.785 89 HB2 CYS 12 HB2 CYS 12 7.822 1.472 -5.165 90 HB3 CYS 12 HB1 CYS 12 7.345 0.720 -3.650 91 HG CYS 12 HG CYS 12 9.556 2.584 -2.531 92 H LYS 13 HN LYS 13 11.386 1.505 -3.402 93 HA LYS 13 HA LYS 13 12.196 2.693 -5.875 94 HB2 LYS 13 HB2 LYS 13 13.144 2.727 -3.069 95 HB3 LYS 13 HB1 LYS 13 14.356 3.055 -4.298 96 HG2 LYS 13 HG2 LYS 13 11.741 4.527 -4.103 97 HG3 LYS 13 HG1 LYS 13 13.240 5.079 -3.353 98 HD2 LYS 13 HD2 LYS 13 14.316 5.150 -5.542 99 HD3 LYS 13 HD1 LYS 13 12.835 4.571 -6.300 100 HE2 LYS 13 HE2 LYS 13 11.670 6.586 -5.475 101 HE3 LYS 13 HE1 LYS 13 13.200 7.171 -4.825 102 HZ1 LYS 13 HZ1 LYS 13 12.717 8.136 -6.988 103 HZ2 LYS 13 HZ2 LYS 13 12.655 6.598 -7.687 104 HZ3 LYS 13 HZ3 LYS 13 14.112 7.182 -7.058 105 H THR 14 HN THR 14 12.696 -0.340 -4.467 106 HA THR 14 HA THR 14 15.174 -0.786 -5.957 107 HB THR 14 HB THR 14 13.831 -2.724 -4.071 108 HG1 THR 14 HG1 THR 14 14.299 -0.801 -2.935 109 HG21 THR 14 HG21 THR 14 16.703 -2.469 -4.986 110 HG22 THR 14 HG22 THR 14 15.539 -3.654 -5.578 111 HG23 THR 14 HG23 THR 14 16.059 -3.696 -3.894 112 H TYR 15 HN TYR 15 11.818 -1.855 -5.779 113 HA TYR 15 HA TYR 15 12.253 -3.833 -7.857 114 HB2 TYR 15 HB2 TYR 15 9.775 -3.013 -6.335 115 HB3 TYR 15 HB1 TYR 15 9.793 -4.265 -7.574 116 HD1 TYR 15 HD1 TYR 15 9.918 -3.741 -4.145 117 HD2 TYR 15 HD2 TYR 15 11.794 -6.043 -7.194 118 HE1 TYR 15 HE1 TYR 15 10.644 -5.379 -2.459 119 HE2 TYR 15 HE2 TYR 15 12.518 -7.687 -5.518 120 HH TYR 15 HH TYR 15 13.018 -7.533 -2.922 121 H CYS 16 HN CYS 16 10.747 -0.658 -7.531 122 HA CYS 16 HA CYS 16 10.195 -0.703 -10.422 123 HB2 CYS 16 HB2 CYS 16 9.036 1.226 -8.403 124 HB3 CYS 16 HB1 CYS 16 8.503 0.959 -10.060 125 HG CYS 16 HG CYS 16 7.442 -1.560 -9.592 126 H GLY 17 HN GLY 17 11.243 1.512 -7.828 127 HA2 GLY 17 HA2 GLY 17 13.071 2.944 -7.836 128 HA3 GLY 17 HA1 GLY 17 13.411 2.459 -9.488 129 H LYS 18 HN LYS 18 11.827 3.303 -11.141 130 HA LYS 18 HA LYS 18 11.746 6.155 -10.897 131 HB2 LYS 18 HB2 LYS 18 10.294 4.660 -13.058 132 HB3 LYS 18 HB1 LYS 18 11.124 6.207 -13.150 133 HG2 LYS 18 HG2 LYS 18 12.507 3.553 -12.809 134 HG3 LYS 18 HG1 LYS 18 12.264 4.368 -14.355 135 HD2 LYS 18 HD2 LYS 18 13.608 5.804 -12.101 136 HD3 LYS 18 HD1 LYS 18 14.512 4.649 -13.081 137 HE2 LYS 18 HE2 LYS 18 13.710 5.934 -15.104 138 HE3 LYS 18 HE1 LYS 18 13.134 7.167 -13.982 139 HZ1 LYS 18 HZ1 LYS 18 15.322 7.593 -13.258 140 HZ2 LYS 18 HZ2 LYS 18 15.412 7.528 -14.944 141 HZ3 LYS 18 HZ3 LYS 18 15.940 6.218 -14.020 142 H THR 19 HN THR 19 9.148 3.832 -11.610 143 HA THR 19 HA THR 19 7.102 5.666 -10.809 144 HB THR 19 HB THR 19 6.301 2.863 -10.980 145 HG1 THR 19 HG1 THR 19 7.150 2.373 -12.898 146 HG21 THR 19 HG21 THR 19 4.755 4.748 -11.206 147 HG22 THR 19 HG22 THR 19 4.774 3.770 -12.673 148 HG23 THR 19 HG23 THR 19 5.637 5.307 -12.629 149 H SER 20 HN SER 20 7.793 6.102 -8.641 150 HA SER 20 HA SER 20 7.020 3.990 -6.746 151 HB2 SER 20 HB2 SER 20 8.705 5.267 -5.194 152 HB3 SER 20 HB1 SER 20 9.316 4.102 -6.368 153 HG SER 20 HG SER 20 9.832 5.809 -7.744 154 HA PRO 21 HA PRO 21 4.109 6.992 -5.313 155 HB2 PRO 21 HB2 PRO 21 3.595 5.944 -2.845 156 HB3 PRO 21 HB1 PRO 21 2.960 5.237 -4.343 157 HG2 PRO 21 HG2 PRO 21 5.291 4.381 -2.702 158 HG3 PRO 21 HG1 PRO 21 4.059 3.403 -3.525 159 HD2 PRO 21 HD2 PRO 21 6.541 3.788 -4.545 160 HD3 PRO 21 HD1 PRO 21 5.102 3.537 -5.552 161 H SER 22 HN SER 22 4.056 8.835 -4.082 162 HA SER 22 HA SER 22 6.525 9.623 -2.832 163 HB2 SER 22 HB2 SER 22 4.017 11.256 -2.678 164 HB3 SER 22 HB1 SER 22 5.684 11.787 -2.908 165 HG SER 22 HG SER 22 5.435 10.549 -5.012 166 H LYS 23 HN LYS 23 6.507 10.655 -0.639 167 HA LYS 23 HA LYS 23 5.737 8.850 1.339 168 HB2 LYS 23 HB2 LYS 23 7.470 10.695 1.504 169 HB3 LYS 23 HB1 LYS 23 6.143 11.811 1.784 170 HG2 LYS 23 HG2 LYS 23 5.505 10.288 3.725 171 HG3 LYS 23 HG1 LYS 23 7.104 9.568 3.521 172 HD2 LYS 23 HD2 LYS 23 7.622 12.272 3.503 173 HD3 LYS 23 HD1 LYS 23 6.332 12.120 4.697 174 HE2 LYS 23 HE2 LYS 23 8.187 11.799 6.009 175 HE3 LYS 23 HE1 LYS 23 7.783 10.138 5.581 176 HZ1 LYS 23 HZ1 LYS 23 9.849 11.825 4.275 177 HZ2 LYS 23 HZ2 LYS 23 9.442 10.255 3.806 178 HZ3 LYS 23 HZ3 LYS 23 10.136 10.528 5.321 179 H LYS 24 HN LYS 24 4.161 11.799 0.237 180 HA LYS 24 HA LYS 24 2.110 11.911 2.135 181 HB2 LYS 24 HB2 LYS 24 2.080 12.853 -0.732 182 HB3 LYS 24 HB1 LYS 24 0.952 13.357 0.519 183 HG2 LYS 24 HG2 LYS 24 2.691 14.464 1.734 184 HG3 LYS 24 HG1 LYS 24 3.926 13.802 0.660 185 HD2 LYS 24 HD2 LYS 24 1.715 15.508 -0.417 186 HD3 LYS 24 HD1 LYS 24 3.143 16.242 0.315 187 HE2 LYS 24 HE2 LYS 24 3.367 14.173 -1.854 188 HE3 LYS 24 HE1 LYS 24 3.143 15.880 -2.226 189 HZ1 LYS 24 HZ1 LYS 24 5.524 14.772 -1.958 190 HZ2 LYS 24 HZ2 LYS 24 5.273 15.225 -0.351 191 HZ3 LYS 24 HZ3 LYS 24 5.227 16.391 -1.573 192 H GLU 25 HN GLU 25 2.293 10.205 -0.961 193 HA GLU 25 HA GLU 25 -0.408 9.378 -1.026 194 HB2 GLU 25 HB2 GLU 25 2.084 8.588 -2.436 195 HB3 GLU 25 HB1 GLU 25 0.747 7.450 -2.467 196 HG2 GLU 25 HG2 GLU 25 -0.680 9.388 -3.275 197 HG3 GLU 25 HG1 GLU 25 0.835 10.243 -3.540 198 H ILE 26 HN ILE 26 2.546 7.803 0.148 199 HA ILE 26 HA ILE 26 1.384 5.356 0.883 200 HB ILE 26 HB ILE 26 3.767 6.727 2.144 201 HG12 ILE 26 HG12 ILE 26 3.658 4.705 -0.108 202 HG13 ILE 26 HG11 ILE 26 3.922 6.431 -0.321 203 HG21 ILE 26 HG21 ILE 26 2.889 4.902 3.511 204 HG22 ILE 26 HG22 ILE 26 4.456 4.486 2.820 205 HG23 ILE 26 HG23 ILE 26 2.978 3.812 2.130 206 HD11 ILE 26 HD11 ILE 26 5.984 6.261 0.994 207 HD12 ILE 26 HD12 ILE 26 6.011 5.238 -0.443 208 HD13 ILE 26 HD13 ILE 26 5.725 4.523 1.144 209 H GLY 27 HN GLY 27 1.936 8.318 2.767 210 HA2 GLY 27 HA2 GLY 27 0.957 7.372 5.229 211 HA3 GLY 27 HA1 GLY 27 1.032 9.057 4.739 212 H ALA 28 HN ALA 28 -0.711 9.180 2.654 213 HA ALA 28 HA ALA 28 -3.211 9.302 3.957 214 HB1 ALA 28 HB1 ALA 28 -2.541 10.740 2.063 215 HB2 ALA 28 HB2 ALA 28 -4.103 9.961 1.809 216 HB3 ALA 28 HB3 ALA 28 -2.667 9.347 0.990 217 H MET 29 HN MET 29 -1.800 6.962 1.732 218 HA MET 29 HA MET 29 -4.080 5.393 1.262 219 HB2 MET 29 HB2 MET 29 -2.068 5.187 -0.087 220 HB3 MET 29 HB1 MET 29 -1.157 4.620 1.304 221 HG2 MET 29 HG2 MET 29 -2.686 2.656 1.407 222 HG3 MET 29 HG1 MET 29 -3.398 3.205 -0.107 223 HE1 MET 29 HE1 MET 29 0.911 1.788 0.513 224 HE2 MET 29 HE2 MET 29 -0.108 2.667 1.652 225 HE3 MET 29 HE3 MET 29 0.697 3.530 0.345 226 H LEU 30 HN LEU 30 -1.478 5.000 3.660 227 HA LEU 30 HA LEU 30 -2.554 2.707 4.892 228 HB2 LEU 30 HB2 LEU 30 -0.243 3.344 5.211 229 HB3 LEU 30 HB1 LEU 30 -0.727 4.838 5.991 230 HG LEU 30 HG LEU 30 -1.694 3.540 7.855 231 HD11 LEU 30 HD11 LEU 30 -0.495 1.166 6.433 232 HD12 LEU 30 HD12 LEU 30 -2.217 1.485 6.637 233 HD13 LEU 30 HD13 LEU 30 -1.208 1.155 8.045 234 HD21 LEU 30 HD21 LEU 30 0.722 4.336 7.739 235 HD22 LEU 30 HD22 LEU 30 1.133 2.654 7.400 236 HD23 LEU 30 HD23 LEU 30 0.340 3.080 8.915 237 H SER 31 HN SER 31 -2.943 6.151 5.582 238 HA SER 31 HA SER 31 -4.381 5.964 7.960 239 HB2 SER 31 HB2 SER 31 -3.482 8.077 7.067 240 HB3 SER 31 HB1 SER 31 -4.660 8.026 5.757 241 HG SER 31 HG SER 31 -5.714 7.819 8.309 242 H LEU 32 HN LEU 32 -5.463 5.795 4.606 243 HA LEU 32 HA LEU 32 -8.236 5.752 5.136 244 HB2 LEU 32 HB2 LEU 32 -6.989 6.172 2.919 245 HB3 LEU 32 HB1 LEU 32 -6.920 4.428 2.780 246 HG LEU 32 HG LEU 32 -8.802 5.763 1.574 247 HD11 LEU 32 HD11 LEU 32 -8.729 3.393 1.465 248 HD12 LEU 32 HD12 LEU 32 -10.371 3.837 1.930 249 HD13 LEU 32 HD13 LEU 32 -9.242 3.231 3.144 250 HD21 LEU 32 HD21 LEU 32 -10.082 5.418 4.274 251 HD22 LEU 32 HD22 LEU 32 -10.809 6.098 2.820 252 HD23 LEU 32 HD23 LEU 32 -9.503 6.955 3.638 253 H LEU 33 HN LEU 33 -5.863 3.167 4.605 254 HA LEU 33 HA LEU 33 -7.632 0.997 4.744 255 HB2 LEU 33 HB2 LEU 33 -4.719 1.096 5.529 256 HB3 LEU 33 HB1 LEU 33 -5.641 -0.363 5.215 257 HG LEU 33 HG LEU 33 -5.052 1.786 3.173 258 HD11 LEU 33 HD11 LEU 33 -3.051 0.538 3.887 259 HD12 LEU 33 HD12 LEU 33 -3.491 0.216 2.210 260 HD13 LEU 33 HD13 LEU 33 -3.863 -0.968 3.462 261 HD21 LEU 33 HD21 LEU 33 -6.367 -0.920 2.934 262 HD22 LEU 33 HD22 LEU 33 -5.874 0.083 1.571 263 HD23 LEU 33 HD23 LEU 33 -7.126 0.652 2.675 264 H GLN 34 HN GLN 34 -5.920 2.733 7.297 265 HA GLN 34 HA GLN 34 -6.665 0.876 9.344 266 HB2 GLN 34 HB2 GLN 34 -5.603 3.697 9.498 267 HB3 GLN 34 HB1 GLN 34 -5.866 2.667 10.897 268 HG2 GLN 34 HG2 GLN 34 -4.258 1.047 9.975 269 HG3 GLN 34 HG1 GLN 34 -3.965 2.136 8.621 270 HE21 GLN 34 HE21 GLN 34 -3.400 1.511 11.979 271 HE22 GLN 34 HE22 GLN 34 -2.239 2.770 12.230 272 H LYS 35 HN LYS 35 -7.941 4.015 8.271 273 HA LYS 35 HA LYS 35 -9.841 4.203 10.385 274 HB2 LYS 35 HB2 LYS 35 -10.693 6.128 9.296 275 HB3 LYS 35 HB1 LYS 35 -8.954 6.140 9.050 276 HG2 LYS 35 HG2 LYS 35 -9.251 5.309 6.788 277 HG3 LYS 35 HG1 LYS 35 -10.994 5.224 7.032 278 HD2 LYS 35 HD2 LYS 35 -9.347 7.748 7.190 279 HD3 LYS 35 HD1 LYS 35 -10.286 7.245 5.786 280 HE2 LYS 35 HE2 LYS 35 -12.255 7.137 7.484 281 HE3 LYS 35 HE1 LYS 35 -11.228 8.179 8.463 282 HZ1 LYS 35 HZ1 LYS 35 -12.071 8.763 5.679 283 HZ2 LYS 35 HZ2 LYS 35 -11.157 9.772 6.681 284 HZ3 LYS 35 HZ3 LYS 35 -12.767 9.436 7.065 285 H GLU 36 HN GLU 36 -9.964 2.725 7.201 286 HA GLU 36 HA GLU 36 -12.837 2.455 7.273 287 HB2 GLU 36 HB2 GLU 36 -10.781 1.249 5.418 288 HB3 GLU 36 HB1 GLU 36 -12.518 1.041 5.239 289 HG2 GLU 36 HG2 GLU 36 -11.054 3.668 5.164 290 HG3 GLU 36 HG1 GLU 36 -11.629 2.778 3.759 291 H GLY 37 HN GLY 37 -10.324 0.846 8.788 292 HA2 GLY 37 HA2 GLY 37 -10.563 -0.913 10.308 293 HA3 GLY 37 HA1 GLY 37 -12.130 -1.277 9.604 294 H LEU 38 HN LEU 38 -9.678 -0.951 7.280 295 HA LEU 38 HA LEU 38 -9.829 -3.754 6.650 296 HB2 LEU 38 HB2 LEU 38 -8.230 -1.501 5.442 297 HB3 LEU 38 HB1 LEU 38 -8.209 -3.143 4.829 298 HG LEU 38 HG LEU 38 -10.641 -1.358 4.956 299 HD11 LEU 38 HD11 LEU 38 -9.243 -0.486 3.280 300 HD12 LEU 38 HD12 LEU 38 -10.419 -1.497 2.440 301 HD13 LEU 38 HD13 LEU 38 -8.781 -2.091 2.715 302 HD21 LEU 38 HD21 LEU 38 -11.305 -3.651 5.173 303 HD22 LEU 38 HD22 LEU 38 -10.246 -4.135 3.850 304 HD23 LEU 38 HD23 LEU 38 -11.656 -3.126 3.527 305 H LEU 39 HN LEU 39 -7.484 -1.543 8.019 306 HA LEU 39 HA LEU 39 -5.923 -3.843 8.955 307 HB2 LEU 39 HB2 LEU 39 -4.837 -1.329 7.677 308 HB3 LEU 39 HB1 LEU 39 -3.850 -2.435 8.613 309 HG LEU 39 HG LEU 39 -5.268 -3.055 6.018 310 HD11 LEU 39 HD11 LEU 39 -2.337 -2.822 6.691 311 HD12 LEU 39 HD12 LEU 39 -3.283 -1.670 5.746 312 HD13 LEU 39 HD13 LEU 39 -3.007 -3.299 5.131 313 HD21 LEU 39 HD21 LEU 39 -5.331 -5.107 7.034 314 HD22 LEU 39 HD22 LEU 39 -3.914 -4.782 8.030 315 HD23 LEU 39 HD23 LEU 39 -3.718 -5.164 6.321 316 H MET 40 HN MET 40 -4.523 -3.245 10.823 317 HA MET 40 HA MET 40 -5.817 -1.099 12.380 318 HB2 MET 40 HB2 MET 40 -6.282 -3.422 13.173 319 HB3 MET 40 HB1 MET 40 -4.562 -3.623 13.456 320 HG2 MET 40 HG2 MET 40 -4.643 -1.758 15.069 321 HG3 MET 40 HG1 MET 40 -6.387 -1.664 14.830 322 HE1 MET 40 HE1 MET 40 -3.534 -4.199 15.539 323 HE2 MET 40 HE2 MET 40 -4.045 -4.922 17.064 324 HE3 MET 40 HE3 MET 40 -3.600 -3.217 16.999 325 H SER 41 HN SER 41 -2.802 -2.859 11.805 326 HA SER 41 HA SER 41 -1.330 -0.548 12.910 327 HB2 SER 41 HB2 SER 41 -0.252 -3.358 12.712 328 HB3 SER 41 HB1 SER 41 0.365 -2.021 13.680 329 HG SER 41 HG SER 41 -2.163 -3.246 14.065 330 HA PRO 42 HA PRO 42 0.514 0.029 8.922 331 HB2 PRO 42 HB2 PRO 42 3.047 0.808 9.643 332 HB3 PRO 42 HB1 PRO 42 1.631 1.867 9.742 333 HG2 PRO 42 HG2 PRO 42 2.955 0.302 11.895 334 HG3 PRO 42 HG1 PRO 42 2.323 1.962 11.928 335 HD2 PRO 42 HD2 PRO 42 0.949 -0.085 12.989 336 HD3 PRO 42 HD1 PRO 42 0.137 1.270 12.179 337 H SER 43 HN SER 43 1.847 -2.156 11.225 338 HA SER 43 HA SER 43 3.796 -3.307 9.442 339 HB2 SER 43 HB2 SER 43 3.677 -5.076 11.449 340 HB3 SER 43 HB1 SER 43 4.547 -3.549 11.597 341 HG SER 43 HG SER 43 2.232 -4.399 12.827 342 H ASP 44 HN ASP 44 0.476 -3.540 9.765 343 HA ASP 44 HA ASP 44 0.073 -6.319 9.356 344 HB2 ASP 44 HB2 ASP 44 -1.694 -3.936 8.805 345 HB3 ASP 44 HB1 ASP 44 -2.216 -5.597 8.562 346 H LEU 45 HN LEU 45 1.207 -3.865 7.338 347 HA LEU 45 HA LEU 45 0.212 -4.673 4.830 348 HB2 LEU 45 HB2 LEU 45 2.509 -3.028 5.769 349 HB3 LEU 45 HB1 LEU 45 2.500 -3.558 4.100 350 HG LEU 45 HG LEU 45 1.589 -1.362 4.156 351 HD11 LEU 45 HD11 LEU 45 0.440 -3.078 2.731 352 HD12 LEU 45 HD12 LEU 45 -0.532 -1.665 3.145 353 HD13 LEU 45 HD13 LEU 45 -0.793 -3.189 3.989 354 HD21 LEU 45 HD21 LEU 45 1.028 -1.154 6.476 355 HD22 LEU 45 HD22 LEU 45 -0.232 -2.377 6.326 356 HD23 LEU 45 HD23 LEU 45 -0.415 -0.821 5.519 357 H TYR 46 HN TYR 46 2.589 -6.055 6.878 358 HA TYR 46 HA TYR 46 4.011 -7.415 4.759 359 HB2 TYR 46 HB2 TYR 46 4.153 -7.831 7.754 360 HB3 TYR 46 HB1 TYR 46 5.279 -8.475 6.564 361 HD1 TYR 46 HD1 TYR 46 6.037 -6.349 4.870 362 HD2 TYR 46 HD2 TYR 46 5.101 -6.163 9.017 363 HE1 TYR 46 HE1 TYR 46 7.416 -4.324 5.087 364 HE2 TYR 46 HE2 TYR 46 6.473 -4.140 9.243 365 HH TYR 46 HH TYR 46 8.425 -3.096 8.023 366 H SER 47 HN SER 47 1.013 -7.848 5.901 367 HA SER 47 HA SER 47 1.120 -10.764 6.093 368 HB2 SER 47 HB2 SER 47 -1.394 -9.123 6.284 369 HB3 SER 47 HB1 SER 47 -1.016 -10.667 7.050 370 HG SER 47 HG SER 47 -0.395 -8.084 7.836 371 HA PRO 48 HA PRO 48 0.216 -10.642 1.656 372 HB2 PRO 48 HB2 PRO 48 0.527 -13.339 1.287 373 HB3 PRO 48 HB1 PRO 48 1.876 -12.188 1.313 374 HG2 PRO 48 HG2 PRO 48 0.910 -14.004 3.457 375 HG3 PRO 48 HG1 PRO 48 2.570 -13.573 2.999 376 HD2 PRO 48 HD2 PRO 48 1.320 -12.487 5.138 377 HD3 PRO 48 HD1 PRO 48 2.532 -11.609 4.184 378 H GLY 49 HN GLY 49 -1.199 -12.792 4.059 379 HA2 GLY 49 HA2 GLY 49 -3.355 -13.682 2.411 380 HA3 GLY 49 HA1 GLY 49 -3.241 -13.859 4.154 381 H SER 50 HN SER 50 -2.787 -10.736 3.973 382 HA SER 50 HA SER 50 -5.631 -10.157 4.263 383 HB2 SER 50 HB2 SER 50 -3.296 -8.365 4.942 384 HB3 SER 50 HB1 SER 50 -4.965 -8.194 5.478 385 HG SER 50 HG SER 50 -4.285 -9.292 7.140 386 H TRP 51 HN TRP 51 -3.259 -9.917 1.912 387 HA TRP 51 HA TRP 51 -3.843 -7.375 0.801 388 HB2 TRP 51 HB2 TRP 51 -2.661 -9.855 -0.456 389 HB3 TRP 51 HB1 TRP 51 -2.764 -8.296 -1.265 390 HD1 TRP 51 HD1 TRP 51 -1.954 -6.893 1.760 391 HE1 TRP 51 HE1 TRP 51 0.569 -6.794 2.270 392 HE3 TRP 51 HE3 TRP 51 -0.310 -10.366 -1.611 393 HZ2 TRP 51 HZ2 TRP 51 2.943 -8.023 1.349 394 HZ3 TRP 51 HZ3 TRP 51 2.099 -10.845 -1.737 395 HH2 TRP 51 HH2 TRP 51 3.690 -9.694 -0.287 396 H ASP 52 HN ASP 52 -5.267 -10.554 0.414 397 HA ASP 52 HA ASP 52 -6.711 -10.083 -1.932 398 HB2 ASP 52 HB2 ASP 52 -6.883 -12.064 0.260 399 HB3 ASP 52 HB1 ASP 52 -8.349 -11.834 -0.686 400 HA PRO 53 HA PRO 53 -10.582 -8.815 0.742 401 HB2 PRO 53 HB2 PRO 53 -9.920 -7.836 3.259 402 HB3 PRO 53 HB1 PRO 53 -10.583 -9.448 2.933 403 HG2 PRO 53 HG2 PRO 53 -7.773 -8.624 3.419 404 HG3 PRO 53 HG1 PRO 53 -8.632 -10.092 3.930 405 HD2 PRO 53 HD2 PRO 53 -6.899 -10.118 1.884 406 HD3 PRO 53 HD1 PRO 53 -8.357 -11.130 1.892 407 H ILE 54 HN ILE 54 -7.523 -7.156 1.509 408 HA ILE 54 HA ILE 54 -8.577 -4.543 1.576 409 HB ILE 54 HB ILE 54 -5.772 -5.452 0.909 410 HG12 ILE 54 HG12 ILE 54 -6.875 -4.292 3.474 411 HG13 ILE 54 HG11 ILE 54 -6.679 -6.016 3.183 412 HG21 ILE 54 HG21 ILE 54 -6.123 -3.231 0.019 413 HG22 ILE 54 HG22 ILE 54 -5.104 -3.140 1.456 414 HG23 ILE 54 HG23 ILE 54 -6.806 -2.694 1.553 415 HD11 ILE 54 HD11 ILE 54 -4.284 -5.720 2.935 416 HD12 ILE 54 HD12 ILE 54 -4.842 -5.102 4.490 417 HD13 ILE 54 HD13 ILE 54 -4.466 -3.983 3.180 418 H THR 55 HN THR 55 -6.923 -6.279 -1.071 419 HA THR 55 HA THR 55 -7.150 -4.232 -2.972 420 HB THR 55 HB THR 55 -7.108 -7.200 -3.549 421 HG1 THR 55 HG1 THR 55 -5.318 -6.873 -2.335 422 HG21 THR 55 HG21 THR 55 -6.086 -6.581 -5.645 423 HG22 THR 55 HG22 THR 55 -6.065 -4.880 -5.177 424 HG23 THR 55 HG23 THR 55 -7.600 -5.694 -5.469 425 H ALA 56 HN ALA 56 -9.315 -6.972 -2.285 426 HA ALA 56 HA ALA 56 -11.142 -6.494 -4.365 427 HB1 ALA 56 HB1 ALA 56 -11.685 -7.718 -1.664 428 HB2 ALA 56 HB2 ALA 56 -11.064 -8.576 -3.074 429 HB3 ALA 56 HB3 ALA 56 -12.685 -7.883 -3.108 430 H ALA 57 HN ALA 57 -10.940 -5.219 -1.095 431 HA ALA 57 HA ALA 57 -13.433 -3.879 -1.093 432 HB1 ALA 57 HB1 ALA 57 -10.954 -3.294 0.526 433 HB2 ALA 57 HB2 ALA 57 -12.205 -4.460 0.952 434 HB3 ALA 57 HB3 ALA 57 -12.588 -2.742 0.888 435 H LEU 58 HN LEU 58 -10.130 -2.828 -1.835 436 HA LEU 58 HA LEU 58 -10.764 -0.103 -2.234 437 HB2 LEU 58 HB2 LEU 58 -8.467 -1.768 -3.240 438 HB3 LEU 58 HB1 LEU 58 -8.571 -0.029 -3.433 439 HG LEU 58 HG LEU 58 -8.656 -1.351 -0.730 440 HD11 LEU 58 HD11 LEU 58 -6.573 -1.964 -1.874 441 HD12 LEU 58 HD12 LEU 58 -6.291 -0.872 -0.521 442 HD13 LEU 58 HD13 LEU 58 -6.248 -0.256 -2.173 443 HD21 LEU 58 HD21 LEU 58 -9.500 0.902 -0.735 444 HD22 LEU 58 HD22 LEU 58 -8.113 1.467 -1.668 445 HD23 LEU 58 HD23 LEU 58 -7.892 0.905 -0.011 446 H SER 59 HN SER 59 -10.416 -2.795 -4.551 447 HA SER 59 HA SER 59 -10.879 -1.209 -6.842 448 HB2 SER 59 HB2 SER 59 -11.127 -4.168 -6.318 449 HB3 SER 59 HB1 SER 59 -11.482 -3.465 -7.896 450 HG SER 59 HG SER 59 -9.349 -2.603 -7.886 451 H GLN 60 HN GLN 60 -13.026 -2.725 -4.546 452 HA GLN 60 HA GLN 60 -15.381 -2.606 -6.094 453 HB2 GLN 60 HB2 GLN 60 -15.288 -4.003 -4.120 454 HB3 GLN 60 HB1 GLN 60 -14.994 -2.603 -3.098 455 HG2 GLN 60 HG2 GLN 60 -17.204 -1.749 -3.576 456 HG3 GLN 60 HG1 GLN 60 -17.507 -3.087 -4.682 457 HE21 GLN 60 HE21 GLN 60 -17.143 -2.145 -1.351 458 HE22 GLN 60 HE22 GLN 60 -17.834 -3.577 -0.669 459 H ARG 61 HN ARG 61 -14.129 -0.392 -3.583 460 HA ARG 61 HA ARG 61 -16.206 1.495 -3.871 461 HB2 ARG 61 HB2 ARG 61 -14.888 2.968 -2.525 462 HB3 ARG 61 HB1 ARG 61 -14.663 1.339 -1.911 463 HG2 ARG 61 HG2 ARG 61 -12.543 1.291 -3.344 464 HG3 ARG 61 HG1 ARG 61 -12.741 3.039 -3.453 465 HD2 ARG 61 HD2 ARG 61 -13.068 2.207 -0.740 466 HD3 ARG 61 HD1 ARG 61 -11.566 1.549 -1.374 467 HE ARG 61 HE ARG 61 -10.821 3.776 -1.812 468 HH11 ARG 61 HH11 ARG 61 -13.786 3.576 0.048 469 HH12 ARG 61 HH12 ARG 61 -13.636 5.175 0.690 470 HH21 ARG 61 HH21 ARG 61 -10.613 5.873 -0.957 471 HH22 ARG 61 HH22 ARG 61 -11.838 6.486 0.117 472 H ALA 62 HN ALA 62 -13.267 0.982 -5.652 473 HA ALA 62 HA ALA 62 -13.176 3.546 -6.892 474 HB1 ALA 62 HB1 ALA 62 -11.939 0.959 -7.820 475 HB2 ALA 62 HB2 ALA 62 -11.211 2.086 -6.674 476 HB3 ALA 62 HB3 ALA 62 -11.496 2.586 -8.341 477 H MET 63 HN MET 63 -14.570 0.417 -7.810 478 HA MET 63 HA MET 63 -15.340 1.374 -10.414 479 HB2 MET 63 HB2 MET 63 -16.263 -0.778 -10.793 480 HB3 MET 63 HB1 MET 63 -14.786 -1.026 -9.878 481 HG2 MET 63 HG2 MET 63 -16.065 -1.356 -7.848 482 HG3 MET 63 HG1 MET 63 -17.562 -1.024 -8.716 483 HE1 MET 63 HE1 MET 63 -18.559 -3.229 -7.740 484 HE2 MET 63 HE2 MET 63 -17.060 -3.677 -6.927 485 HE3 MET 63 HE3 MET 63 -17.873 -4.835 -7.979 486 H ILE 64 HN ILE 64 -16.716 1.532 -7.279 487 HA ILE 64 HA ILE 64 -19.417 1.895 -8.339 488 HB ILE 64 HB ILE 64 -18.441 1.792 -5.483 489 HG12 ILE 64 HG12 ILE 64 -20.083 -0.168 -7.103 490 HG13 ILE 64 HG11 ILE 64 -18.379 -0.356 -6.710 491 HG21 ILE 64 HG21 ILE 64 -20.780 1.795 -4.828 492 HG22 ILE 64 HG22 ILE 64 -21.272 1.941 -6.515 493 HG23 ILE 64 HG23 ILE 64 -20.401 3.263 -5.734 494 HD11 ILE 64 HD11 ILE 64 -18.938 -0.450 -4.337 495 HD12 ILE 64 HD12 ILE 64 -19.772 -1.705 -5.254 496 HD13 ILE 64 HD13 ILE 64 -20.645 -0.265 -4.734 497 H LEU 65 HN LEU 65 -17.287 3.671 -6.071 498 HA LEU 65 HA LEU 65 -18.857 6.063 -6.394 499 HB2 LEU 65 HB2 LEU 65 -16.371 5.416 -4.847 500 HB3 LEU 65 HB1 LEU 65 -16.960 7.059 -4.983 501 HG LEU 65 HG LEU 65 -19.199 6.027 -4.089 502 HD11 LEU 65 HD11 LEU 65 -18.814 4.197 -2.509 503 HD12 LEU 65 HD12 LEU 65 -17.149 4.063 -3.077 504 HD13 LEU 65 HD13 LEU 65 -18.485 3.707 -4.172 505 HD21 LEU 65 HD21 LEU 65 -17.860 7.731 -2.964 506 HD22 LEU 65 HD22 LEU 65 -16.805 6.476 -2.315 507 HD23 LEU 65 HD23 LEU 65 -18.497 6.550 -1.818 508 H GLY 66 HN GLY 66 -16.058 4.716 -7.873 509 HA2 GLY 66 HA2 GLY 66 -15.012 5.472 -9.812 510 HA3 GLY 66 HA1 GLY 66 -15.921 6.972 -9.686 511 H LYS 67 HN LYS 67 -13.910 5.505 -7.202 512 HA LYS 67 HA LYS 67 -11.966 7.679 -7.532 513 HB2 LYS 67 HB2 LYS 67 -11.848 7.626 -4.933 514 HB3 LYS 67 HB1 LYS 67 -13.134 8.531 -5.719 515 HG2 LYS 67 HG2 LYS 67 -14.753 6.944 -5.174 516 HG3 LYS 67 HG1 LYS 67 -13.553 5.694 -4.853 517 HD2 LYS 67 HD2 LYS 67 -14.542 6.536 -2.781 518 HD3 LYS 67 HD1 LYS 67 -12.817 6.888 -2.861 519 HE2 LYS 67 HE2 LYS 67 -14.338 9.036 -4.017 520 HE3 LYS 67 HE1 LYS 67 -14.914 8.685 -2.390 521 HZ1 LYS 67 HZ1 LYS 67 -13.101 10.335 -2.472 522 HZ2 LYS 67 HZ2 LYS 67 -12.069 9.148 -3.086 523 HZ3 LYS 67 HZ3 LYS 67 -12.719 8.982 -1.535 524 H SER 68 HN SER 68 -10.163 6.657 -8.107 525 HA SER 68 HA SER 68 -9.457 4.150 -6.731 526 HB2 SER 68 HB2 SER 68 -8.256 5.251 -9.284 527 HB3 SER 68 HB1 SER 68 -8.076 3.623 -8.632 528 HG SER 68 HG SER 68 -9.619 3.537 -10.222 529 H GLY 69 HN GLY 69 -9.096 6.994 -5.817 530 HA2 GLY 69 HA2 GLY 69 -6.526 7.955 -5.995 531 HA3 GLY 69 HA1 GLY 69 -7.555 8.158 -4.588 532 H GLU 70 HN GLU 70 -7.711 5.760 -3.440 533 HA GLU 70 HA GLU 70 -5.039 5.382 -2.449 534 HB2 GLU 70 HB2 GLU 70 -7.629 4.009 -1.712 535 HB3 GLU 70 HB1 GLU 70 -6.105 3.810 -0.859 536 HG2 GLU 70 HG2 GLU 70 -7.044 5.380 0.465 537 HG3 GLU 70 HG1 GLU 70 -6.266 6.445 -0.703 538 H LEU 71 HN LEU 71 -6.887 3.970 -4.902 539 HA LEU 71 HA LEU 71 -5.790 1.317 -4.725 540 HB2 LEU 71 HB2 LEU 71 -7.945 2.438 -6.004 541 HB3 LEU 71 HB1 LEU 71 -6.823 2.190 -7.328 542 HG LEU 71 HG LEU 71 -7.838 0.050 -5.449 543 HD11 LEU 71 HD11 LEU 71 -8.897 -0.813 -7.541 544 HD12 LEU 71 HD12 LEU 71 -8.476 0.715 -8.313 545 HD13 LEU 71 HD13 LEU 71 -9.579 0.694 -6.936 546 HD21 LEU 71 HD21 LEU 71 -6.702 -1.522 -6.936 547 HD22 LEU 71 HD22 LEU 71 -5.556 -0.414 -6.182 548 HD23 LEU 71 HD23 LEU 71 -6.041 -0.174 -7.861 549 H LYS 72 HN LYS 72 -5.070 4.284 -6.471 550 HA LYS 72 HA LYS 72 -3.235 3.276 -8.327 551 HB2 LYS 72 HB2 LYS 72 -3.237 5.981 -6.968 552 HB3 LYS 72 HB1 LYS 72 -2.335 5.576 -8.421 553 HG2 LYS 72 HG2 LYS 72 -5.330 5.439 -8.206 554 HG3 LYS 72 HG1 LYS 72 -4.436 6.829 -8.821 555 HD2 LYS 72 HD2 LYS 72 -3.795 4.210 -10.034 556 HD3 LYS 72 HD1 LYS 72 -5.386 4.879 -10.398 557 HE2 LYS 72 HE2 LYS 72 -2.783 6.360 -10.744 558 HE3 LYS 72 HE1 LYS 72 -3.634 5.519 -12.040 559 HZ1 LYS 72 HZ1 LYS 72 -5.416 7.022 -11.923 560 HZ2 LYS 72 HZ2 LYS 72 -4.035 7.989 -11.835 561 HZ3 LYS 72 HZ3 LYS 72 -4.920 7.654 -10.435 562 H THR 73 HN THR 73 -2.726 4.543 -5.062 563 HA THR 73 HA THR 73 0.074 4.122 -5.031 564 HB THR 73 HB THR 73 -1.599 4.144 -2.539 565 HG1 THR 73 HG1 THR 73 -1.019 6.411 -4.202 566 HG21 THR 73 HG21 THR 73 1.028 5.440 -3.270 567 HG22 THR 73 HG22 THR 73 0.840 3.944 -2.359 568 HG23 THR 73 HG23 THR 73 0.264 5.466 -1.679 569 H TRP 74 HN TRP 74 -2.695 2.237 -3.872 570 HA TRP 74 HA TRP 74 -1.291 0.203 -2.568 571 HB2 TRP 74 HB2 TRP 74 -3.673 0.485 -2.262 572 HB3 TRP 74 HB1 TRP 74 -3.973 0.126 -3.958 573 HD1 TRP 74 HD1 TRP 74 -4.589 -2.318 -4.472 574 HE1 TRP 74 HE1 TRP 74 -4.423 -4.565 -3.220 575 HE3 TRP 74 HE3 TRP 74 -1.995 -0.761 -0.348 576 HZ2 TRP 74 HZ2 TRP 74 -3.339 -5.537 -0.809 577 HZ3 TRP 74 HZ3 TRP 74 -1.438 -2.414 1.385 578 HH2 TRP 74 HH2 TRP 74 -2.095 -4.754 1.158 579 H GLY 75 HN GLY 75 -2.398 0.422 -5.941 580 HA2 GLY 75 HA2 GLY 75 -1.701 -2.127 -6.794 581 HA3 GLY 75 HA1 GLY 75 -1.722 -0.704 -7.822 582 H LEU 76 HN LEU 76 0.338 0.718 -6.449 583 HA LEU 76 HA LEU 76 2.610 -0.446 -7.718 584 HB2 LEU 76 HB2 LEU 76 2.289 1.943 -5.903 585 HB3 LEU 76 HB1 LEU 76 3.820 1.485 -6.619 586 HG LEU 76 HG LEU 76 1.366 2.143 -8.242 587 HD11 LEU 76 HD11 LEU 76 3.675 3.910 -7.452 588 HD12 LEU 76 HD12 LEU 76 1.990 4.098 -6.961 589 HD13 LEU 76 HD13 LEU 76 2.447 4.317 -8.649 590 HD21 LEU 76 HD21 LEU 76 4.286 1.858 -8.945 591 HD22 LEU 76 HD22 LEU 76 3.038 2.447 -10.043 592 HD23 LEU 76 HD23 LEU 76 2.971 0.792 -9.438 593 H VAL 77 HN VAL 77 1.733 0.154 -4.327 594 HA VAL 77 HA VAL 77 4.043 -1.006 -3.206 595 HB VAL 77 HB VAL 77 1.297 -0.695 -1.977 596 HG11 VAL 77 HG11 VAL 77 3.967 -1.078 -0.624 597 HG12 VAL 77 HG12 VAL 77 2.710 -2.307 -0.771 598 HG13 VAL 77 HG13 VAL 77 2.407 -0.847 0.169 599 HG21 VAL 77 HG21 VAL 77 2.287 1.336 -0.948 600 HG22 VAL 77 HG22 VAL 77 2.133 1.433 -2.701 601 HG23 VAL 77 HG23 VAL 77 3.707 1.116 -1.972 602 H LEU 78 HN LEU 78 0.830 -2.352 -3.896 603 HA LEU 78 HA LEU 78 1.168 -4.860 -2.723 604 HB2 LEU 78 HB2 LEU 78 -0.994 -4.107 -3.467 605 HB3 LEU 78 HB1 LEU 78 -0.443 -4.015 -5.128 606 HG LEU 78 HG LEU 78 -0.143 -6.503 -5.097 607 HD11 LEU 78 HD11 LEU 78 -1.549 -6.253 -2.444 608 HD12 LEU 78 HD12 LEU 78 0.079 -6.871 -2.725 609 HD13 LEU 78 HD13 LEU 78 -1.321 -7.758 -3.331 610 HD21 LEU 78 HD21 LEU 78 -2.528 -6.997 -5.307 611 HD22 LEU 78 HD22 LEU 78 -2.115 -5.470 -6.085 612 HD23 LEU 78 HD23 LEU 78 -2.918 -5.471 -4.514 613 H GLY 79 HN GLY 79 1.880 -3.794 -6.037 614 HA2 GLY 79 HA2 GLY 79 2.741 -6.277 -7.031 615 HA3 GLY 79 HA1 GLY 79 3.215 -4.708 -7.669 616 H ALA 80 HN ALA 80 4.501 -3.704 -5.379 617 HA ALA 80 HA ALA 80 7.075 -4.855 -5.696 618 HB1 ALA 80 HB1 ALA 80 6.121 -2.886 -3.618 619 HB2 ALA 80 HB2 ALA 80 6.735 -2.473 -5.218 620 HB3 ALA 80 HB3 ALA 80 7.799 -3.230 -4.033 621 H LEU 81 HN LEU 81 4.725 -4.890 -3.023 622 HA LEU 81 HA LEU 81 6.318 -6.404 -1.249 623 HB2 LEU 81 HB2 LEU 81 3.344 -5.971 -1.421 624 HB3 LEU 81 HB1 LEU 81 4.094 -6.892 -0.132 625 HG LEU 81 HG LEU 81 4.517 -3.961 -0.720 626 HD11 LEU 81 HD11 LEU 81 3.190 -5.395 1.578 627 HD12 LEU 81 HD12 LEU 81 2.382 -4.449 0.329 628 HD13 LEU 81 HD13 LEU 81 3.464 -3.657 1.474 629 HD21 LEU 81 HD21 LEU 81 6.600 -4.845 0.058 630 HD22 LEU 81 HD22 LEU 81 5.797 -5.771 1.326 631 HD23 LEU 81 HD23 LEU 81 5.833 -4.010 1.408 632 H LYS 82 HN LYS 82 3.881 -7.328 -3.641 633 HA LYS 82 HA LYS 82 3.697 -10.042 -2.970 634 HB2 LYS 82 HB2 LYS 82 2.392 -8.502 -4.711 635 HB3 LYS 82 HB1 LYS 82 3.520 -9.245 -5.835 636 HG2 LYS 82 HG2 LYS 82 2.667 -11.386 -5.469 637 HG3 LYS 82 HG1 LYS 82 1.872 -10.910 -3.966 638 HD2 LYS 82 HD2 LYS 82 0.372 -9.433 -5.308 639 HD3 LYS 82 HD1 LYS 82 1.098 -10.103 -6.769 640 HE2 LYS 82 HE2 LYS 82 -0.144 -11.855 -4.672 641 HE3 LYS 82 HE1 LYS 82 -1.107 -11.118 -5.952 642 HZ1 LYS 82 HZ1 LYS 82 -0.406 -13.360 -6.526 643 HZ2 LYS 82 HZ2 LYS 82 1.218 -12.923 -6.362 644 HZ3 LYS 82 HZ3 LYS 82 0.279 -12.233 -7.585 645 H ALA 83 HN ALA 83 5.900 -8.328 -5.133 646 HA ALA 83 HA ALA 83 7.230 -10.634 -6.115 647 HB1 ALA 83 HB1 ALA 83 8.994 -9.004 -6.808 648 HB2 ALA 83 HB2 ALA 83 8.073 -7.743 -5.986 649 HB3 ALA 83 HB3 ALA 83 7.370 -8.597 -7.359 650 H ALA 84 HN ALA 84 7.740 -8.504 -3.365 651 HA ALA 84 HA ALA 84 10.289 -9.469 -2.599 652 HB1 ALA 84 HB1 ALA 84 8.138 -8.156 -0.934 653 HB2 ALA 84 HB2 ALA 84 9.454 -7.343 -1.782 654 HB3 ALA 84 HB3 ALA 84 9.806 -8.413 -0.425 655 H ARG 85 HN ARG 85 7.147 -10.808 -2.319 656 HA ARG 85 HA ARG 85 7.909 -12.610 -0.162 657 HB2 ARG 85 HB2 ARG 85 5.347 -12.030 -1.608 658 HB3 ARG 85 HB1 ARG 85 5.518 -13.511 -0.677 659 HG2 ARG 85 HG2 ARG 85 5.938 -10.750 0.446 660 HG3 ARG 85 HG1 ARG 85 4.425 -11.653 0.552 661 HD2 ARG 85 HD2 ARG 85 5.648 -13.463 1.725 662 HD3 ARG 85 HD1 ARG 85 7.095 -12.455 1.704 663 HE ARG 85 HE ARG 85 4.933 -11.044 2.862 664 HH11 ARG 85 HH11 ARG 85 7.205 -13.342 5.260 665 HH12 ARG 85 HH12 ARG 85 7.243 -13.595 3.543 666 HH21 ARG 85 HH21 ARG 85 5.845 -11.732 6.156 667 HH22 ARG 85 HH22 ARG 85 4.837 -10.756 5.129 668 H GLU 86 HN GLU 86 8.050 -12.498 -3.526 669 HA GLU 86 HA GLU 86 7.866 -15.387 -3.888 670 HB2 GLU 86 HB2 GLU 86 8.469 -13.174 -5.860 671 HB3 GLU 86 HB1 GLU 86 8.272 -14.871 -6.275 672 HG2 GLU 86 HG2 GLU 86 5.963 -14.814 -5.608 673 HG3 GLU 86 HG1 GLU 86 6.135 -13.162 -5.015 674 H GLU 87 HN GLU 87 10.209 -12.923 -3.415 675 HA GLU 87 HA GLU 87 12.436 -14.339 -4.537 676 HB2 GLU 87 HB2 GLU 87 12.201 -11.899 -2.779 677 HB3 GLU 87 HB1 GLU 87 13.750 -12.554 -3.291 678 HG2 GLU 87 HG2 GLU 87 11.775 -12.045 -5.419 679 HG3 GLU 87 HG1 GLU 87 12.453 -10.629 -4.614 680 H1 FGV 101 H1 IP3 1 12.614 10.683 -0.926 681 H2 FGV 101 H2 IP3 1 13.335 9.604 1.159 682 H3 FGV 101 H3 IP3 1 12.369 11.870 1.328 683 H4 FGV 101 H4 IP3 1 9.694 10.471 1.778 684 H5 FGV 101 H5 IP3 1 10.646 12.232 -0.523 685 H6 FGV 101 H6 IP3 1 9.952 9.257 -0.495 686 H11 FGV 101 H11 IP3 1 15.486 7.416 -2.866 687 H12 FGV 101 H12 IP3 1 11.496 8.063 0.695 688 H14 FGV 101 H14 IP3 1 9.307 12.912 1.317 689 H16 FGV 101 H16 IP3 1 9.872 11.094 -2.333 Start of MODEL 19 1 H1 SER 1 HT1 SER 1 4.162 3.376 10.675 2 H2 SER 1 HT2 SER 1 3.915 2.865 12.271 3 H3 SER 1 HT3 SER 1 5.466 3.252 11.742 4 HA SER 1 HA SER 1 3.220 5.154 11.926 5 HB2 SER 1 HB2 SER 1 5.612 5.353 13.681 6 HB3 SER 1 HB1 SER 1 3.928 5.764 14.018 7 HG SER 1 HG SER 1 4.837 3.810 15.081 8 H GLU 2 HN GLU 2 6.805 5.023 11.968 9 HA GLU 2 HA GLU 2 6.812 7.006 9.812 10 HB2 GLU 2 HB2 GLU 2 8.736 8.152 11.033 11 HB3 GLU 2 HB1 GLU 2 7.122 8.409 11.682 12 HG2 GLU 2 HG2 GLU 2 7.676 6.456 13.257 13 HG3 GLU 2 HG1 GLU 2 9.348 6.733 12.775 14 H ALA 3 HN ALA 3 8.786 4.806 11.783 15 HA ALA 3 HA ALA 3 10.959 4.693 9.988 16 HB1 ALA 3 HB1 ALA 3 11.699 2.784 11.292 17 HB2 ALA 3 HB2 ALA 3 10.113 2.666 12.049 18 HB3 ALA 3 HB3 ALA 3 11.131 4.072 12.354 19 H VAL 4 HN VAL 4 8.024 2.761 10.327 20 HA VAL 4 HA VAL 4 8.686 0.700 8.531 21 HB VAL 4 HB VAL 4 5.935 1.809 9.128 22 HG11 VAL 4 HG11 VAL 4 6.688 -0.922 8.088 23 HG12 VAL 4 HG12 VAL 4 6.063 0.392 7.090 24 HG13 VAL 4 HG13 VAL 4 5.061 -0.300 8.367 25 HG21 VAL 4 HG21 VAL 4 7.535 -0.367 10.452 26 HG22 VAL 4 HG22 VAL 4 5.807 -0.116 10.706 27 HG23 VAL 4 HG23 VAL 4 6.957 1.134 11.173 28 H ILE 5 HN ILE 5 7.524 3.946 8.033 29 HA ILE 5 HA ILE 5 6.544 3.784 5.438 30 HB ILE 5 HB ILE 5 8.036 6.087 6.703 31 HG12 ILE 5 HG12 ILE 5 5.070 5.508 6.523 32 HG13 ILE 5 HG11 ILE 5 6.051 5.397 7.979 33 HG21 ILE 5 HG21 ILE 5 6.196 6.062 4.314 34 HG22 ILE 5 HG22 ILE 5 7.947 6.276 4.268 35 HG23 ILE 5 HG23 ILE 5 6.926 7.490 5.042 36 HD11 ILE 5 HD11 ILE 5 5.396 7.883 6.423 37 HD12 ILE 5 HD12 ILE 5 6.513 7.824 7.783 38 HD13 ILE 5 HD13 ILE 5 4.810 7.439 8.024 39 H LYS 6 HN LYS 6 9.834 4.656 6.486 40 HA LYS 6 HA LYS 6 10.938 4.845 3.924 41 HB2 LYS 6 HB2 LYS 6 12.240 4.211 6.573 42 HB3 LYS 6 HB1 LYS 6 13.139 4.498 5.090 43 HG2 LYS 6 HG2 LYS 6 11.330 6.455 6.489 44 HG3 LYS 6 HG1 LYS 6 13.092 6.497 6.443 45 HD2 LYS 6 HD2 LYS 6 11.279 6.739 4.040 46 HD3 LYS 6 HD1 LYS 6 12.055 8.085 4.865 47 HE2 LYS 6 HE2 LYS 6 14.250 7.181 4.308 48 HE3 LYS 6 HE1 LYS 6 13.489 5.805 3.508 49 HZ1 LYS 6 HZ1 LYS 6 12.411 7.428 1.993 50 HZ2 LYS 6 HZ2 LYS 6 14.092 7.381 1.857 51 HZ3 LYS 6 HZ3 LYS 6 13.350 8.651 2.686 52 H VAL 7 HN VAL 7 10.435 2.072 5.999 53 HA VAL 7 HA VAL 7 12.109 0.254 4.647 54 HB VAL 7 HB VAL 7 9.544 -0.376 6.118 55 HG11 VAL 7 HG11 VAL 7 10.589 -2.589 6.473 56 HG12 VAL 7 HG12 VAL 7 11.912 -2.108 5.412 57 HG13 VAL 7 HG13 VAL 7 10.275 -2.249 4.772 58 HG21 VAL 7 HG21 VAL 7 11.054 0.886 7.537 59 HG22 VAL 7 HG22 VAL 7 12.380 -0.207 7.138 60 HG23 VAL 7 HG23 VAL 7 10.995 -0.798 8.060 61 H ILE 8 HN ILE 8 8.598 0.800 4.343 62 HA ILE 8 HA ILE 8 8.242 -0.992 2.181 63 HB ILE 8 HB ILE 8 6.525 1.372 2.952 64 HG12 ILE 8 HG12 ILE 8 6.828 -0.174 4.829 65 HG13 ILE 8 HG11 ILE 8 5.180 -0.251 4.218 66 HG21 ILE 8 HG21 ILE 8 6.063 0.536 0.696 67 HG22 ILE 8 HG22 ILE 8 4.720 0.235 1.797 68 HG23 ILE 8 HG23 ILE 8 5.808 -1.079 1.353 69 HD11 ILE 8 HD11 ILE 8 5.759 -2.305 2.995 70 HD12 ILE 8 HD12 ILE 8 5.985 -2.463 4.737 71 HD13 ILE 8 HD13 ILE 8 7.381 -2.236 3.684 72 H SER 9 HN SER 9 8.729 2.521 2.325 73 HA SER 9 HA SER 9 8.381 3.070 -0.393 74 HB2 SER 9 HB2 SER 9 10.158 4.471 1.615 75 HB3 SER 9 HB1 SER 9 9.645 5.138 0.066 76 HG SER 9 HG SER 9 7.905 5.768 1.039 77 H SER 10 HN SER 10 11.330 2.166 1.392 78 HA SER 10 HA SER 10 13.079 2.445 -0.811 79 HB2 SER 10 HB2 SER 10 13.371 0.663 1.618 80 HB3 SER 10 HB1 SER 10 14.667 1.124 0.510 81 HG SER 10 HG SER 10 13.283 2.675 2.405 82 H ALA 11 HN ALA 11 11.018 -0.169 0.270 83 HA ALA 11 HA ALA 11 12.115 -2.248 -1.267 84 HB1 ALA 11 HB1 ALA 11 10.525 -2.670 0.533 85 HB2 ALA 11 HB2 ALA 11 9.948 -3.368 -0.980 86 HB3 ALA 11 HB3 ALA 11 9.254 -1.862 -0.380 87 H CYS 12 HN CYS 12 9.325 -0.103 -1.980 88 HA CYS 12 HA CYS 12 9.015 -1.101 -4.611 89 HB2 CYS 12 HB2 CYS 12 7.590 0.902 -4.988 90 HB3 CYS 12 HB1 CYS 12 7.153 -0.008 -3.551 91 HG CYS 12 HG CYS 12 9.227 2.217 -2.494 92 H LYS 13 HN LYS 13 11.136 1.259 -3.244 93 HA LYS 13 HA LYS 13 11.772 2.607 -5.681 94 HB2 LYS 13 HB2 LYS 13 13.000 2.475 -2.953 95 HB3 LYS 13 HB1 LYS 13 13.881 3.228 -4.272 96 HG2 LYS 13 HG2 LYS 13 11.084 4.058 -3.586 97 HG3 LYS 13 HG1 LYS 13 12.485 4.726 -2.747 98 HD2 LYS 13 HD2 LYS 13 13.409 5.377 -4.976 99 HD3 LYS 13 HD1 LYS 13 11.877 4.872 -5.694 100 HE2 LYS 13 HE2 LYS 13 12.203 6.998 -3.575 101 HE3 LYS 13 HE1 LYS 13 11.976 7.303 -5.296 102 HZ1 LYS 13 HZ1 LYS 13 9.883 7.520 -4.213 103 HZ2 LYS 13 HZ2 LYS 13 10.045 6.029 -3.440 104 HZ3 LYS 13 HZ3 LYS 13 9.835 6.089 -5.118 105 H THR 14 HN THR 14 12.705 -0.388 -4.283 106 HA THR 14 HA THR 14 15.117 -0.573 -5.915 107 HB THR 14 HB THR 14 14.030 -2.737 -4.113 108 HG1 THR 14 HG1 THR 14 14.351 -0.621 -3.024 109 HG21 THR 14 HG21 THR 14 16.839 -2.051 -4.990 110 HG22 THR 14 HG22 THR 14 15.845 -3.340 -5.667 111 HG23 THR 14 HG23 THR 14 16.368 -3.417 -3.984 112 H TYR 15 HN TYR 15 11.818 -1.677 -5.882 113 HA TYR 15 HA TYR 15 12.386 -3.627 -7.988 114 HB2 TYR 15 HB2 TYR 15 9.948 -3.132 -6.289 115 HB3 TYR 15 HB1 TYR 15 9.943 -4.235 -7.661 116 HD1 TYR 15 HD1 TYR 15 10.546 -3.925 -4.187 117 HD2 TYR 15 HD2 TYR 15 11.768 -6.095 -7.638 118 HE1 TYR 15 HE1 TYR 15 11.437 -5.708 -2.748 119 HE2 TYR 15 HE2 TYR 15 12.659 -7.882 -6.207 120 HH TYR 15 HH TYR 15 11.995 -8.043 -2.857 121 H CYS 16 HN CYS 16 10.518 -0.669 -7.437 122 HA CYS 16 HA CYS 16 9.782 -0.688 -10.283 123 HB2 CYS 16 HB2 CYS 16 8.656 1.151 -8.183 124 HB3 CYS 16 HB1 CYS 16 7.968 0.734 -9.746 125 HG CYS 16 HG CYS 16 7.952 -2.107 -8.633 126 H GLY 17 HN GLY 17 11.867 0.790 -8.046 127 HA2 GLY 17 HA2 GLY 17 13.498 2.384 -8.382 128 HA3 GLY 17 HA1 GLY 17 12.973 2.500 -10.058 129 H LYS 18 HN LYS 18 12.662 4.609 -10.414 130 HA LYS 18 HA LYS 18 11.682 6.394 -8.422 131 HB2 LYS 18 HB2 LYS 18 11.670 8.071 -10.230 132 HB3 LYS 18 HB1 LYS 18 13.194 7.203 -10.134 133 HG2 LYS 18 HG2 LYS 18 12.159 5.688 -11.965 134 HG3 LYS 18 HG1 LYS 18 11.065 7.049 -12.221 135 HD2 LYS 18 HD2 LYS 18 14.075 7.212 -12.274 136 HD3 LYS 18 HD1 LYS 18 13.044 7.113 -13.696 137 HE2 LYS 18 HE2 LYS 18 12.052 9.224 -13.226 138 HE3 LYS 18 HE1 LYS 18 12.818 9.298 -11.641 139 HZ1 LYS 18 HZ1 LYS 18 14.926 9.596 -12.624 140 HZ2 LYS 18 HZ2 LYS 18 13.886 10.668 -13.416 141 HZ3 LYS 18 HZ3 LYS 18 14.351 9.232 -14.171 142 H THR 19 HN THR 19 10.143 4.266 -10.585 143 HA THR 19 HA THR 19 7.680 5.749 -10.778 144 HB THR 19 HB THR 19 7.379 2.934 -11.358 145 HG1 THR 19 HG1 THR 19 9.331 2.571 -12.104 146 HG21 THR 19 HG21 THR 19 6.021 4.755 -12.301 147 HG22 THR 19 HG22 THR 19 6.774 3.782 -13.563 148 HG23 THR 19 HG23 THR 19 7.437 5.364 -13.153 149 H SER 20 HN SER 20 8.113 5.753 -8.214 150 HA SER 20 HA SER 20 6.344 3.681 -7.101 151 HB2 SER 20 HB2 SER 20 7.737 4.371 -4.925 152 HB3 SER 20 HB1 SER 20 8.297 3.111 -6.026 153 HG SER 20 HG SER 20 9.799 4.443 -6.833 154 HA PRO 21 HA PRO 21 3.770 6.989 -5.718 155 HB2 PRO 21 HB2 PRO 21 2.865 6.026 -3.321 156 HB3 PRO 21 HB1 PRO 21 2.277 5.446 -4.890 157 HG2 PRO 21 HG2 PRO 21 4.258 4.221 -3.046 158 HG3 PRO 21 HG1 PRO 21 2.998 3.448 -4.029 159 HD2 PRO 21 HD2 PRO 21 5.615 3.472 -4.732 160 HD3 PRO 21 HD1 PRO 21 4.295 3.440 -5.916 161 H SER 22 HN SER 22 3.861 8.838 -4.511 162 HA SER 22 HA SER 22 6.266 9.414 -3.111 163 HB2 SER 22 HB2 SER 22 3.925 11.210 -2.785 164 HB3 SER 22 HB1 SER 22 5.584 11.591 -3.251 165 HG SER 22 HG SER 22 5.102 10.654 -5.315 166 H LYS 23 HN LYS 23 6.263 10.422 -0.895 167 HA LYS 23 HA LYS 23 5.367 8.563 1.010 168 HB2 LYS 23 HB2 LYS 23 7.279 9.964 1.467 169 HB3 LYS 23 HB1 LYS 23 6.302 11.419 1.329 170 HG2 LYS 23 HG2 LYS 23 4.980 10.542 3.314 171 HG3 LYS 23 HG1 LYS 23 6.266 9.353 3.515 172 HD2 LYS 23 HD2 LYS 23 6.744 11.184 4.964 173 HD3 LYS 23 HD1 LYS 23 7.890 11.254 3.627 174 HE2 LYS 23 HE2 LYS 23 6.506 12.960 2.536 175 HE3 LYS 23 HE1 LYS 23 5.375 12.898 3.887 176 HZ1 LYS 23 HZ1 LYS 23 8.199 13.809 3.948 177 HZ2 LYS 23 HZ2 LYS 23 7.258 13.571 5.336 178 HZ3 LYS 23 HZ3 LYS 23 6.812 14.743 4.204 179 H LYS 24 HN LYS 24 4.100 11.741 0.069 180 HA LYS 24 HA LYS 24 2.048 11.878 1.986 181 HB2 LYS 24 HB2 LYS 24 2.498 13.183 -0.675 182 HB3 LYS 24 HB1 LYS 24 0.973 13.415 0.168 183 HG2 LYS 24 HG2 LYS 24 2.025 14.458 2.001 184 HG3 LYS 24 HG1 LYS 24 3.628 13.953 1.463 185 HD2 LYS 24 HD2 LYS 24 1.853 15.801 -0.120 186 HD3 LYS 24 HD1 LYS 24 3.051 16.368 1.043 187 HE2 LYS 24 HE2 LYS 24 4.773 15.077 -0.251 188 HE3 LYS 24 HE1 LYS 24 3.542 14.792 -1.480 189 HZ1 LYS 24 HZ1 LYS 24 4.659 17.402 -0.626 190 HZ2 LYS 24 HZ2 LYS 24 3.313 17.246 -1.636 191 HZ3 LYS 24 HZ3 LYS 24 4.815 16.660 -2.139 192 H GLU 25 HN GLU 25 2.283 10.097 -0.972 193 HA GLU 25 HA GLU 25 -0.552 9.652 -1.227 194 HB2 GLU 25 HB2 GLU 25 1.799 9.145 -2.818 195 HB3 GLU 25 HB1 GLU 25 0.841 7.678 -2.682 196 HG2 GLU 25 HG2 GLU 25 -1.148 9.188 -3.314 197 HG3 GLU 25 HG1 GLU 25 0.091 10.310 -3.877 198 H ILE 26 HN ILE 26 2.253 7.628 -0.373 199 HA ILE 26 HA ILE 26 0.788 5.326 0.299 200 HB ILE 26 HB ILE 26 3.423 6.145 1.532 201 HG12 ILE 26 HG12 ILE 26 2.984 4.555 -1.006 202 HG13 ILE 26 HG11 ILE 26 3.424 6.261 -0.977 203 HG21 ILE 26 HG21 ILE 26 2.538 4.270 2.675 204 HG22 ILE 26 HG22 ILE 26 3.741 3.634 1.553 205 HG23 ILE 26 HG23 ILE 26 2.025 3.505 1.173 206 HD11 ILE 26 HD11 ILE 26 5.498 5.674 0.217 207 HD12 ILE 26 HD12 ILE 26 5.377 4.909 -1.369 208 HD13 ILE 26 HD13 ILE 26 5.056 3.971 0.091 209 H GLY 27 HN GLY 27 1.912 8.046 2.285 210 HA2 GLY 27 HA2 GLY 27 1.116 7.088 4.791 211 HA3 GLY 27 HA1 GLY 27 1.259 8.785 4.357 212 H ALA 28 HN ALA 28 -0.720 8.940 2.386 213 HA ALA 28 HA ALA 28 -3.030 9.247 4.001 214 HB1 ALA 28 HB1 ALA 28 -2.448 10.660 2.021 215 HB2 ALA 28 HB2 ALA 28 -4.110 10.075 2.042 216 HB3 ALA 28 HB3 ALA 28 -2.923 9.307 0.990 217 H MET 29 HN MET 29 -2.028 6.879 1.593 218 HA MET 29 HA MET 29 -4.429 5.448 1.379 219 HB2 MET 29 HB2 MET 29 -2.553 5.147 -0.166 220 HB3 MET 29 HB1 MET 29 -1.578 4.471 1.130 221 HG2 MET 29 HG2 MET 29 -3.360 2.670 1.317 222 HG3 MET 29 HG1 MET 29 -3.968 3.271 -0.226 223 HE1 MET 29 HE1 MET 29 0.098 1.227 0.474 224 HE2 MET 29 HE2 MET 29 -1.180 1.415 1.677 225 HE3 MET 29 HE3 MET 29 -0.247 2.818 1.153 226 H LEU 30 HN LEU 30 -1.788 5.289 3.672 227 HA LEU 30 HA LEU 30 -2.549 2.928 5.014 228 HB2 LEU 30 HB2 LEU 30 -0.633 5.085 5.375 229 HB3 LEU 30 HB1 LEU 30 -1.298 4.544 6.903 230 HG LEU 30 HG LEU 30 -0.557 2.262 6.451 231 HD11 LEU 30 HD11 LEU 30 0.601 3.395 3.905 232 HD12 LEU 30 HD12 LEU 30 -0.760 2.280 4.012 233 HD13 LEU 30 HD13 LEU 30 0.847 1.761 4.520 234 HD21 LEU 30 HD21 LEU 30 0.951 3.815 7.583 235 HD22 LEU 30 HD22 LEU 30 1.624 4.295 6.025 236 HD23 LEU 30 HD23 LEU 30 1.836 2.645 6.609 237 H SER 31 HN SER 31 -3.299 6.346 5.592 238 HA SER 31 HA SER 31 -4.703 6.020 8.000 239 HB2 SER 31 HB2 SER 31 -5.579 8.127 6.075 240 HB3 SER 31 HB1 SER 31 -5.235 8.252 7.799 241 HG SER 31 HG SER 31 -2.951 7.796 7.039 242 H LEU 32 HN LEU 32 -5.710 5.802 4.641 243 HA LEU 32 HA LEU 32 -8.488 5.659 5.091 244 HB2 LEU 32 HB2 LEU 32 -6.658 5.300 2.873 245 HB3 LEU 32 HB1 LEU 32 -7.971 4.138 2.814 246 HG LEU 32 HG LEU 32 -8.462 6.149 1.498 247 HD11 LEU 32 HD11 LEU 32 -10.299 4.886 2.512 248 HD12 LEU 32 HD12 LEU 32 -10.670 6.606 2.408 249 HD13 LEU 32 HD13 LEU 32 -10.199 5.899 3.951 250 HD21 LEU 32 HD21 LEU 32 -8.829 8.290 2.581 251 HD22 LEU 32 HD22 LEU 32 -7.171 7.748 2.835 252 HD23 LEU 32 HD23 LEU 32 -8.352 7.607 4.135 253 H LEU 33 HN LEU 33 -6.008 3.151 4.810 254 HA LEU 33 HA LEU 33 -7.754 0.942 4.965 255 HB2 LEU 33 HB2 LEU 33 -4.853 1.160 5.763 256 HB3 LEU 33 HB1 LEU 33 -5.733 -0.345 5.580 257 HG LEU 33 HG LEU 33 -5.142 1.631 3.374 258 HD11 LEU 33 HD11 LEU 33 -3.668 -0.090 2.506 259 HD12 LEU 33 HD12 LEU 33 -4.054 -1.134 3.873 260 HD13 LEU 33 HD13 LEU 33 -3.178 0.371 4.137 261 HD21 LEU 33 HD21 LEU 33 -6.589 -1.012 3.352 262 HD22 LEU 33 HD22 LEU 33 -6.029 -0.173 1.906 263 HD23 LEU 33 HD23 LEU 33 -7.247 0.572 2.939 264 H GLN 34 HN GLN 34 -6.191 2.897 7.418 265 HA GLN 34 HA GLN 34 -6.818 1.179 9.596 266 HB2 GLN 34 HB2 GLN 34 -5.692 3.902 9.278 267 HB3 GLN 34 HB1 GLN 34 -6.454 3.542 10.820 268 HG2 GLN 34 HG2 GLN 34 -5.000 1.578 11.063 269 HG3 GLN 34 HG1 GLN 34 -4.209 1.995 9.544 270 HE21 GLN 34 HE21 GLN 34 -3.205 1.786 12.333 271 HE22 GLN 34 HE22 GLN 34 -2.417 3.299 12.630 272 H LYS 35 HN LYS 35 -8.320 4.188 8.382 273 HA LYS 35 HA LYS 35 -10.338 4.192 10.388 274 HB2 LYS 35 HB2 LYS 35 -11.387 5.977 9.141 275 HB3 LYS 35 HB1 LYS 35 -9.653 6.244 9.210 276 HG2 LYS 35 HG2 LYS 35 -9.463 5.331 6.918 277 HG3 LYS 35 HG1 LYS 35 -11.221 5.197 6.863 278 HD2 LYS 35 HD2 LYS 35 -9.705 7.770 7.324 279 HD3 LYS 35 HD1 LYS 35 -10.355 7.253 5.768 280 HE2 LYS 35 HE2 LYS 35 -12.613 7.165 6.830 281 HE3 LYS 35 HE1 LYS 35 -11.903 7.889 8.272 282 HZ1 LYS 35 HZ1 LYS 35 -12.001 9.106 5.568 283 HZ2 LYS 35 HZ2 LYS 35 -11.238 9.795 6.908 284 HZ3 LYS 35 HZ3 LYS 35 -12.913 9.576 6.910 285 H GLU 36 HN GLU 36 -10.059 2.590 7.326 286 HA GLU 36 HA GLU 36 -12.878 2.091 7.060 287 HB2 GLU 36 HB2 GLU 36 -10.427 1.220 5.592 288 HB3 GLU 36 HB1 GLU 36 -11.932 0.346 5.342 289 HG2 GLU 36 HG2 GLU 36 -11.680 3.323 5.017 290 HG3 GLU 36 HG1 GLU 36 -11.444 2.175 3.701 291 H GLY 37 HN GLY 37 -10.386 0.743 8.902 292 HA2 GLY 37 HA2 GLY 37 -10.572 -0.926 10.503 293 HA3 GLY 37 HA1 GLY 37 -12.154 -1.335 9.853 294 H LEU 38 HN LEU 38 -9.481 -1.101 7.681 295 HA LEU 38 HA LEU 38 -9.692 -3.952 7.149 296 HB2 LEU 38 HB2 LEU 38 -8.132 -1.774 5.753 297 HB3 LEU 38 HB1 LEU 38 -8.188 -3.446 5.232 298 HG LEU 38 HG LEU 38 -10.602 -1.638 5.393 299 HD11 LEU 38 HD11 LEU 38 -9.033 -0.845 3.699 300 HD12 LEU 38 HD12 LEU 38 -10.478 -1.534 2.963 301 HD13 LEU 38 HD13 LEU 38 -8.978 -2.459 2.990 302 HD21 LEU 38 HD21 LEU 38 -11.143 -3.997 5.618 303 HD22 LEU 38 HD22 LEU 38 -10.214 -4.367 4.166 304 HD23 LEU 38 HD23 LEU 38 -11.675 -3.388 4.052 305 H LEU 39 HN LEU 39 -7.252 -1.573 8.071 306 HA LEU 39 HA LEU 39 -5.673 -3.729 9.293 307 HB2 LEU 39 HB2 LEU 39 -4.612 -1.410 7.667 308 HB3 LEU 39 HB1 LEU 39 -3.613 -2.477 8.633 309 HG LEU 39 HG LEU 39 -5.209 -3.237 6.185 310 HD11 LEU 39 HD11 LEU 39 -2.239 -3.133 6.686 311 HD12 LEU 39 HD12 LEU 39 -3.160 -1.972 5.731 312 HD13 LEU 39 HD13 LEU 39 -3.026 -3.647 5.197 313 HD21 LEU 39 HD21 LEU 39 -5.279 -5.111 7.650 314 HD22 LEU 39 HD22 LEU 39 -3.583 -4.911 8.089 315 HD23 LEU 39 HD23 LEU 39 -4.015 -5.437 6.463 316 H MET 40 HN MET 40 -5.016 -3.276 11.322 317 HA MET 40 HA MET 40 -5.876 -0.745 12.472 318 HB2 MET 40 HB2 MET 40 -6.434 -2.883 13.600 319 HB3 MET 40 HB1 MET 40 -4.718 -3.195 13.819 320 HG2 MET 40 HG2 MET 40 -4.597 -1.055 15.125 321 HG3 MET 40 HG1 MET 40 -6.356 -1.002 15.054 322 HE1 MET 40 HE1 MET 40 -3.818 -4.096 17.335 323 HE2 MET 40 HE2 MET 40 -3.201 -2.666 16.511 324 HE3 MET 40 HE3 MET 40 -3.815 -4.026 15.572 325 H SER 41 HN SER 41 -2.937 -2.533 11.790 326 HA SER 41 HA SER 41 -1.408 -0.202 12.731 327 HB2 SER 41 HB2 SER 41 0.474 -1.891 13.142 328 HB3 SER 41 HB1 SER 41 -0.879 -1.921 14.272 329 HG SER 41 HG SER 41 -1.661 -3.575 12.530 330 HA PRO 42 HA PRO 42 0.094 0.105 8.569 331 HB2 PRO 42 HB2 PRO 42 2.589 1.185 9.736 332 HB3 PRO 42 HB1 PRO 42 1.433 1.956 8.634 333 HG2 PRO 42 HG2 PRO 42 1.640 2.691 11.187 334 HG3 PRO 42 HG1 PRO 42 0.090 2.687 10.327 335 HD2 PRO 42 HD2 PRO 42 1.142 0.725 12.315 336 HD3 PRO 42 HD1 PRO 42 -0.508 1.342 12.095 337 H SER 43 HN SER 43 1.850 -1.494 11.092 338 HA SER 43 HA SER 43 3.895 -2.595 9.412 339 HB2 SER 43 HB2 SER 43 3.226 -3.804 12.054 340 HB3 SER 43 HB1 SER 43 4.801 -3.406 11.362 341 HG SER 43 HG SER 43 3.892 -2.035 13.167 342 H ASP 44 HN ASP 44 0.684 -3.214 9.513 343 HA ASP 44 HA ASP 44 0.811 -6.111 9.429 344 HB2 ASP 44 HB2 ASP 44 -1.144 -4.526 10.281 345 HB3 ASP 44 HB1 ASP 44 -1.630 -4.616 8.591 346 H LEU 45 HN LEU 45 1.805 -3.903 7.364 347 HA LEU 45 HA LEU 45 0.564 -4.642 4.909 348 HB2 LEU 45 HB2 LEU 45 2.661 -2.845 5.795 349 HB3 LEU 45 HB1 LEU 45 3.103 -3.659 4.306 350 HG LEU 45 HG LEU 45 2.079 -1.542 3.788 351 HD11 LEU 45 HD11 LEU 45 1.591 -3.572 2.379 352 HD12 LEU 45 HD12 LEU 45 0.444 -2.241 2.231 353 HD13 LEU 45 HD13 LEU 45 0.030 -3.658 3.193 354 HD21 LEU 45 HD21 LEU 45 0.808 -1.154 5.787 355 HD22 LEU 45 HD22 LEU 45 -0.242 -2.528 5.435 356 HD23 LEU 45 HD23 LEU 45 -0.281 -1.099 4.400 357 H TYR 46 HN TYR 46 2.679 -6.241 6.924 358 HA TYR 46 HA TYR 46 4.103 -7.665 4.828 359 HB2 TYR 46 HB2 TYR 46 4.316 -7.512 7.802 360 HB3 TYR 46 HB1 TYR 46 4.945 -8.941 6.989 361 HD1 TYR 46 HD1 TYR 46 6.925 -8.833 5.645 362 HD2 TYR 46 HD2 TYR 46 5.305 -5.303 7.379 363 HE1 TYR 46 HE1 TYR 46 9.003 -7.633 5.122 364 HE2 TYR 46 HE2 TYR 46 7.376 -4.088 6.858 365 HH TYR 46 HH TYR 46 9.727 -4.554 6.424 366 H SER 47 HN SER 47 1.091 -7.861 5.821 367 HA SER 47 HA SER 47 0.983 -10.773 6.110 368 HB2 SER 47 HB2 SER 47 -1.148 -8.659 6.476 369 HB3 SER 47 HB1 SER 47 -1.400 -10.390 6.704 370 HG SER 47 HG SER 47 -0.541 -8.661 8.483 371 HA PRO 48 HA PRO 48 0.049 -10.564 1.659 372 HB2 PRO 48 HB2 PRO 48 0.596 -13.182 1.165 373 HB3 PRO 48 HB1 PRO 48 1.861 -11.945 1.309 374 HG2 PRO 48 HG2 PRO 48 0.957 -13.956 3.302 375 HG3 PRO 48 HG1 PRO 48 2.596 -13.393 2.922 376 HD2 PRO 48 HD2 PRO 48 1.169 -12.518 5.079 377 HD3 PRO 48 HD1 PRO 48 2.419 -11.553 4.270 378 H GLY 49 HN GLY 49 -1.305 -12.520 4.174 379 HA2 GLY 49 HA2 GLY 49 -3.314 -13.766 2.540 380 HA3 GLY 49 HA1 GLY 49 -3.245 -13.768 4.295 381 H SER 50 HN SER 50 -2.996 -10.721 4.099 382 HA SER 50 HA SER 50 -5.881 -10.250 4.000 383 HB2 SER 50 HB2 SER 50 -3.771 -8.354 5.038 384 HB3 SER 50 HB1 SER 50 -5.497 -8.351 5.389 385 HG SER 50 HG SER 50 -4.420 -9.269 7.124 386 H TRP 51 HN TRP 51 -3.599 -10.186 1.782 387 HA TRP 51 HA TRP 51 -3.725 -7.525 0.768 388 HB2 TRP 51 HB2 TRP 51 -2.725 -10.129 -0.330 389 HB3 TRP 51 HB1 TRP 51 -2.832 -8.709 -1.365 390 HD1 TRP 51 HD1 TRP 51 -1.967 -7.156 1.706 391 HE1 TRP 51 HE1 TRP 51 0.574 -6.893 2.017 392 HE3 TRP 51 HE3 TRP 51 -0.377 -10.466 -1.854 393 HZ2 TRP 51 HZ2 TRP 51 2.936 -7.956 0.899 394 HZ3 TRP 51 HZ3 TRP 51 2.040 -10.781 -2.172 395 HH2 TRP 51 HH2 TRP 51 3.661 -9.546 -0.826 396 H ASP 52 HN ASP 52 -5.308 -10.557 -0.215 397 HA ASP 52 HA ASP 52 -6.671 -9.500 -2.413 398 HB2 ASP 52 HB2 ASP 52 -6.425 -11.923 -1.974 399 HB3 ASP 52 HB1 ASP 52 -7.600 -11.781 -0.671 400 HA PRO 53 HA PRO 53 -10.555 -8.885 0.574 401 HB2 PRO 53 HB2 PRO 53 -9.610 -8.039 3.086 402 HB3 PRO 53 HB1 PRO 53 -10.384 -9.590 2.725 403 HG2 PRO 53 HG2 PRO 53 -7.509 -8.940 3.003 404 HG3 PRO 53 HG1 PRO 53 -8.385 -10.426 3.423 405 HD2 PRO 53 HD2 PRO 53 -6.830 -10.300 1.252 406 HD3 PRO 53 HD1 PRO 53 -8.348 -11.224 1.257 407 H ILE 54 HN ILE 54 -7.530 -7.126 1.230 408 HA ILE 54 HA ILE 54 -8.777 -4.575 1.429 409 HB ILE 54 HB ILE 54 -5.901 -5.331 0.896 410 HG12 ILE 54 HG12 ILE 54 -7.223 -4.230 3.383 411 HG13 ILE 54 HG11 ILE 54 -6.862 -5.932 3.121 412 HG21 ILE 54 HG21 ILE 54 -6.399 -3.107 -0.030 413 HG22 ILE 54 HG22 ILE 54 -5.310 -3.020 1.353 414 HG23 ILE 54 HG23 ILE 54 -7.013 -2.600 1.545 415 HD11 ILE 54 HD11 ILE 54 -4.485 -5.413 3.018 416 HD12 ILE 54 HD12 ILE 54 -5.198 -4.869 4.536 417 HD13 ILE 54 HD13 ILE 54 -4.846 -3.704 3.261 418 H THR 55 HN THR 55 -7.007 -6.224 -1.179 419 HA THR 55 HA THR 55 -7.112 -4.176 -3.077 420 HB THR 55 HB THR 55 -7.208 -7.142 -3.664 421 HG1 THR 55 HG1 THR 55 -5.452 -6.799 -2.336 422 HG21 THR 55 HG21 THR 55 -7.593 -5.782 -5.634 423 HG22 THR 55 HG22 THR 55 -5.977 -6.481 -5.710 424 HG23 THR 55 HG23 THR 55 -6.184 -4.789 -5.258 425 H ALA 56 HN ALA 56 -9.393 -6.826 -2.439 426 HA ALA 56 HA ALA 56 -11.175 -6.261 -4.539 427 HB1 ALA 56 HB1 ALA 56 -11.695 -7.580 -1.877 428 HB2 ALA 56 HB2 ALA 56 -11.225 -8.383 -3.376 429 HB3 ALA 56 HB3 ALA 56 -12.800 -7.599 -3.250 430 H ALA 57 HN ALA 57 -11.018 -5.081 -1.211 431 HA ALA 57 HA ALA 57 -13.479 -3.680 -1.251 432 HB1 ALA 57 HB1 ALA 57 -11.048 -3.221 0.481 433 HB2 ALA 57 HB2 ALA 57 -12.388 -4.314 0.838 434 HB3 ALA 57 HB3 ALA 57 -12.664 -2.571 0.775 435 H LEU 58 HN LEU 58 -10.120 -2.662 -1.812 436 HA LEU 58 HA LEU 58 -10.736 0.067 -2.229 437 HB2 LEU 58 HB2 LEU 58 -8.372 -1.561 -3.154 438 HB3 LEU 58 HB1 LEU 58 -8.483 0.183 -3.283 439 HG LEU 58 HG LEU 58 -8.401 -1.429 -0.734 440 HD11 LEU 58 HD11 LEU 58 -6.304 -0.227 -0.357 441 HD12 LEU 58 HD12 LEU 58 -6.460 0.533 -1.942 442 HD13 LEU 58 HD13 LEU 58 -6.247 -1.214 -1.818 443 HD21 LEU 58 HD21 LEU 58 -8.336 0.802 0.377 444 HD22 LEU 58 HD22 LEU 58 -9.888 0.403 -0.353 445 HD23 LEU 58 HD23 LEU 58 -8.797 1.528 -1.163 446 H SER 59 HN SER 59 -10.478 -2.682 -4.432 447 HA SER 59 HA SER 59 -10.779 -1.155 -6.810 448 HB2 SER 59 HB2 SER 59 -9.845 -3.444 -6.791 449 HB3 SER 59 HB1 SER 59 -11.416 -4.081 -6.309 450 HG SER 59 HG SER 59 -10.757 -2.760 -8.740 451 H GLN 60 HN GLN 60 -12.996 -2.691 -4.583 452 HA GLN 60 HA GLN 60 -15.369 -2.521 -6.046 453 HB2 GLN 60 HB2 GLN 60 -15.061 -3.794 -3.926 454 HB3 GLN 60 HB1 GLN 60 -15.015 -2.274 -3.050 455 HG2 GLN 60 HG2 GLN 60 -17.312 -1.803 -3.853 456 HG3 GLN 60 HG1 GLN 60 -17.341 -3.409 -4.579 457 HE21 GLN 60 HE21 GLN 60 -15.813 -2.614 -1.534 458 HE22 GLN 60 HE22 GLN 60 -16.878 -3.537 -0.539 459 H ARG 61 HN ARG 61 -14.046 -0.245 -3.633 460 HA ARG 61 HA ARG 61 -16.079 1.691 -3.987 461 HB2 ARG 61 HB2 ARG 61 -14.643 3.188 -2.708 462 HB3 ARG 61 HB1 ARG 61 -14.676 1.592 -1.972 463 HG2 ARG 61 HG2 ARG 61 -12.517 1.115 -3.149 464 HG3 ARG 61 HG1 ARG 61 -12.466 2.822 -3.595 465 HD2 ARG 61 HD2 ARG 61 -12.966 2.258 -0.751 466 HD3 ARG 61 HD1 ARG 61 -11.374 1.793 -1.342 467 HE ARG 61 HE ARG 61 -11.135 4.148 -2.100 468 HH11 ARG 61 HH11 ARG 61 -13.407 3.368 0.451 469 HH12 ARG 61 HH12 ARG 61 -13.357 4.952 1.150 470 HH21 ARG 61 HH21 ARG 61 -11.046 6.217 -1.190 471 HH22 ARG 61 HH22 ARG 61 -12.015 6.586 0.211 472 H ALA 62 HN ALA 62 -13.160 1.012 -5.724 473 HA ALA 62 HA ALA 62 -12.866 3.552 -6.968 474 HB1 ALA 62 HB1 ALA 62 -11.817 0.850 -7.798 475 HB2 ALA 62 HB2 ALA 62 -10.996 2.025 -6.773 476 HB3 ALA 62 HB3 ALA 62 -11.305 2.400 -8.467 477 H MET 63 HN MET 63 -14.439 0.525 -7.922 478 HA MET 63 HA MET 63 -15.209 1.645 -10.480 479 HB2 MET 63 HB2 MET 63 -16.216 -0.502 -10.946 480 HB3 MET 63 HB1 MET 63 -14.601 -0.733 -10.294 481 HG2 MET 63 HG2 MET 63 -15.545 -1.293 -8.121 482 HG3 MET 63 HG1 MET 63 -17.170 -1.019 -8.749 483 HE1 MET 63 HE1 MET 63 -14.138 -2.749 -10.614 484 HE2 MET 63 HE2 MET 63 -14.393 -4.430 -10.152 485 HE3 MET 63 HE3 MET 63 -13.955 -3.236 -8.928 486 H ILE 64 HN ILE 64 -16.620 1.365 -7.327 487 HA ILE 64 HA ILE 64 -19.308 1.800 -8.359 488 HB ILE 64 HB ILE 64 -18.284 1.453 -5.545 489 HG12 ILE 64 HG12 ILE 64 -20.012 -0.269 -7.334 490 HG13 ILE 64 HG11 ILE 64 -18.338 -0.581 -6.896 491 HG21 ILE 64 HG21 ILE 64 -20.646 1.425 -4.842 492 HG22 ILE 64 HG22 ILE 64 -21.118 1.907 -6.469 493 HG23 ILE 64 HG23 ILE 64 -20.155 2.997 -5.474 494 HD11 ILE 64 HD11 ILE 64 -20.712 -0.596 -5.054 495 HD12 ILE 64 HD12 ILE 64 -19.038 -0.807 -4.542 496 HD13 ILE 64 HD13 ILE 64 -19.791 -1.990 -5.611 497 H LEU 65 HN LEU 65 -17.140 3.502 -6.077 498 HA LEU 65 HA LEU 65 -18.794 5.863 -6.201 499 HB2 LEU 65 HB2 LEU 65 -16.244 5.189 -4.766 500 HB3 LEU 65 HB1 LEU 65 -16.865 6.829 -4.797 501 HG LEU 65 HG LEU 65 -19.064 5.653 -3.912 502 HD11 LEU 65 HD11 LEU 65 -16.915 3.808 -2.887 503 HD12 LEU 65 HD12 LEU 65 -18.102 3.386 -4.118 504 HD13 LEU 65 HD13 LEU 65 -18.633 3.775 -2.483 505 HD21 LEU 65 HD21 LEU 65 -16.641 6.241 -2.220 506 HD22 LEU 65 HD22 LEU 65 -18.294 6.109 -1.620 507 HD23 LEU 65 HD23 LEU 65 -17.863 7.397 -2.744 508 H GLY 66 HN GLY 66 -15.933 4.681 -7.749 509 HA2 GLY 66 HA2 GLY 66 -15.197 5.549 -9.828 510 HA3 GLY 66 HA1 GLY 66 -15.914 7.095 -9.408 511 H LYS 67 HN LYS 67 -14.305 6.098 -6.722 512 HA LYS 67 HA LYS 67 -12.031 7.799 -7.401 513 HB2 LYS 67 HB2 LYS 67 -11.582 7.638 -4.887 514 HB3 LYS 67 HB1 LYS 67 -13.002 8.536 -5.402 515 HG2 LYS 67 HG2 LYS 67 -14.386 6.534 -4.911 516 HG3 LYS 67 HG1 LYS 67 -12.944 5.736 -4.285 517 HD2 LYS 67 HD2 LYS 67 -14.148 6.641 -2.428 518 HD3 LYS 67 HD1 LYS 67 -12.695 7.615 -2.662 519 HE2 LYS 67 HE2 LYS 67 -14.026 9.295 -3.854 520 HE3 LYS 67 HE1 LYS 67 -15.469 8.314 -3.610 521 HZ1 LYS 67 HZ1 LYS 67 -15.344 10.076 -1.986 522 HZ2 LYS 67 HZ2 LYS 67 -13.822 9.551 -1.482 523 HZ3 LYS 67 HZ3 LYS 67 -15.175 8.581 -1.217 524 H SER 68 HN SER 68 -10.371 6.754 -8.266 525 HA SER 68 HA SER 68 -9.693 4.085 -7.232 526 HB2 SER 68 HB2 SER 68 -8.632 5.327 -9.770 527 HB3 SER 68 HB1 SER 68 -8.670 3.622 -9.323 528 HG SER 68 HG SER 68 -11.151 4.746 -9.308 529 H GLY 69 HN GLY 69 -8.961 7.026 -6.396 530 HA2 GLY 69 HA2 GLY 69 -6.227 7.443 -6.675 531 HA3 GLY 69 HA1 GLY 69 -7.192 8.012 -5.322 532 H GLU 70 HN GLU 70 -7.931 5.630 -4.148 533 HA GLU 70 HA GLU 70 -5.593 4.961 -2.688 534 HB2 GLU 70 HB2 GLU 70 -8.361 3.761 -2.762 535 HB3 GLU 70 HB1 GLU 70 -7.096 3.151 -1.707 536 HG2 GLU 70 HG2 GLU 70 -8.373 4.586 -0.375 537 HG3 GLU 70 HG1 GLU 70 -6.922 5.500 -0.781 538 H LEU 71 HN LEU 71 -7.432 3.336 -5.221 539 HA LEU 71 HA LEU 71 -6.112 0.865 -5.162 540 HB2 LEU 71 HB2 LEU 71 -8.079 2.138 -6.762 541 HB3 LEU 71 HB1 LEU 71 -6.851 1.512 -7.841 542 HG LEU 71 HG LEU 71 -8.619 -0.013 -5.949 543 HD11 LEU 71 HD11 LEU 71 -9.069 -1.303 -8.015 544 HD12 LEU 71 HD12 LEU 71 -8.049 -0.170 -8.904 545 HD13 LEU 71 HD13 LEU 71 -9.532 0.394 -8.133 546 HD21 LEU 71 HD21 LEU 71 -7.285 -2.033 -6.739 547 HD22 LEU 71 HD22 LEU 71 -6.532 -1.015 -5.514 548 HD23 LEU 71 HD23 LEU 71 -6.028 -0.889 -7.199 549 H LYS 72 HN LYS 72 -5.321 3.892 -6.765 550 HA LYS 72 HA LYS 72 -3.312 2.884 -8.459 551 HB2 LYS 72 HB2 LYS 72 -3.898 5.606 -7.344 552 HB3 LYS 72 HB1 LYS 72 -2.441 5.326 -8.290 553 HG2 LYS 72 HG2 LYS 72 -4.023 4.336 -10.055 554 HG3 LYS 72 HG1 LYS 72 -5.299 5.152 -9.149 555 HD2 LYS 72 HD2 LYS 72 -2.835 6.574 -10.127 556 HD3 LYS 72 HD1 LYS 72 -4.299 6.424 -11.098 557 HE2 LYS 72 HE2 LYS 72 -5.584 7.591 -9.418 558 HE3 LYS 72 HE1 LYS 72 -4.186 7.654 -8.347 559 HZ1 LYS 72 HZ1 LYS 72 -4.253 8.916 -11.027 560 HZ2 LYS 72 HZ2 LYS 72 -3.076 9.113 -9.829 561 HZ3 LYS 72 HZ3 LYS 72 -4.629 9.735 -9.595 562 H THR 73 HN THR 73 -3.103 4.374 -5.233 563 HA THR 73 HA THR 73 -0.307 4.104 -4.963 564 HB THR 73 HB THR 73 -2.173 4.044 -2.609 565 HG1 THR 73 HG1 THR 73 -1.521 6.362 -4.167 566 HG21 THR 73 HG21 THR 73 0.411 5.527 -3.128 567 HG22 THR 73 HG22 THR 73 0.281 3.985 -2.279 568 HG23 THR 73 HG23 THR 73 -0.460 5.433 -1.596 569 H TRP 74 HN TRP 74 -3.015 2.093 -3.861 570 HA TRP 74 HA TRP 74 -1.551 0.158 -2.473 571 HB2 TRP 74 HB2 TRP 74 -3.961 0.329 -2.236 572 HB3 TRP 74 HB1 TRP 74 -4.191 -0.087 -3.933 573 HD1 TRP 74 HD1 TRP 74 -4.630 -2.568 -4.416 574 HE1 TRP 74 HE1 TRP 74 -4.396 -4.774 -3.108 575 HE3 TRP 74 HE3 TRP 74 -2.296 -0.777 -0.234 576 HZ2 TRP 74 HZ2 TRP 74 -3.360 -5.630 -0.633 577 HZ3 TRP 74 HZ3 TRP 74 -1.720 -2.360 1.557 578 HH2 TRP 74 HH2 TRP 74 -2.238 -4.738 1.359 579 H GLY 75 HN GLY 75 -2.663 0.153 -5.864 580 HA2 GLY 75 HA2 GLY 75 -1.721 -2.361 -6.593 581 HA3 GLY 75 HA1 GLY 75 -1.896 -1.005 -7.696 582 H LEU 76 HN LEU 76 0.002 0.720 -6.525 583 HA LEU 76 HA LEU 76 2.362 -0.214 -7.770 584 HB2 LEU 76 HB2 LEU 76 1.929 2.091 -5.870 585 HB3 LEU 76 HB1 LEU 76 3.397 1.823 -6.787 586 HG LEU 76 HG LEU 76 0.668 2.442 -7.923 587 HD11 LEU 76 HD11 LEU 76 1.791 4.354 -6.887 588 HD12 LEU 76 HD12 LEU 76 1.691 4.526 -8.640 589 HD13 LEU 76 HD13 LEU 76 3.213 4.055 -7.884 590 HD21 LEU 76 HD21 LEU 76 1.798 0.949 -9.425 591 HD22 LEU 76 HD22 LEU 76 3.292 1.880 -9.300 592 HD23 LEU 76 HD23 LEU 76 1.876 2.579 -10.088 593 H VAL 77 HN VAL 77 1.519 0.259 -4.350 594 HA VAL 77 HA VAL 77 3.968 -0.685 -3.308 595 HB VAL 77 HB VAL 77 1.241 -0.603 -2.001 596 HG11 VAL 77 HG11 VAL 77 3.980 -0.877 -0.773 597 HG12 VAL 77 HG12 VAL 77 2.710 -2.098 -0.792 598 HG13 VAL 77 HG13 VAL 77 2.487 -0.610 0.127 599 HG21 VAL 77 HG21 VAL 77 2.039 1.500 -0.998 600 HG22 VAL 77 HG22 VAL 77 1.948 1.584 -2.757 601 HG23 VAL 77 HG23 VAL 77 3.510 1.384 -1.965 602 H LEU 78 HN LEU 78 0.856 -2.248 -3.906 603 HA LEU 78 HA LEU 78 1.394 -4.741 -2.787 604 HB2 LEU 78 HB2 LEU 78 -0.834 -3.990 -3.500 605 HB3 LEU 78 HB1 LEU 78 -0.332 -4.083 -5.176 606 HG LEU 78 HG LEU 78 0.011 -6.549 -4.863 607 HD11 LEU 78 HD11 LEU 78 -1.309 -5.981 -2.216 608 HD12 LEU 78 HD12 LEU 78 0.312 -6.624 -2.476 609 HD13 LEU 78 HD13 LEU 78 -1.099 -7.585 -2.915 610 HD21 LEU 78 HD21 LEU 78 -2.357 -7.093 -4.969 611 HD22 LEU 78 HD22 LEU 78 -2.014 -5.625 -5.886 612 HD23 LEU 78 HD23 LEU 78 -2.762 -5.513 -4.292 613 H GLY 79 HN GLY 79 1.958 -3.563 -6.086 614 HA2 GLY 79 HA2 GLY 79 2.852 -5.958 -7.223 615 HA3 GLY 79 HA1 GLY 79 3.304 -4.350 -7.768 616 H ALA 80 HN ALA 80 4.655 -3.463 -5.479 617 HA ALA 80 HA ALA 80 7.208 -4.647 -5.907 618 HB1 ALA 80 HB1 ALA 80 6.334 -2.678 -3.796 619 HB2 ALA 80 HB2 ALA 80 6.959 -2.275 -5.397 620 HB3 ALA 80 HB3 ALA 80 8.001 -3.072 -4.216 621 H LEU 81 HN LEU 81 4.857 -4.752 -3.261 622 HA LEU 81 HA LEU 81 6.436 -6.291 -1.493 623 HB2 LEU 81 HB2 LEU 81 3.458 -5.897 -1.722 624 HB3 LEU 81 HB1 LEU 81 4.189 -6.856 -0.451 625 HG LEU 81 HG LEU 81 4.615 -3.905 -0.920 626 HD11 LEU 81 HD11 LEU 81 3.207 -5.389 1.292 627 HD12 LEU 81 HD12 LEU 81 2.426 -4.470 0.005 628 HD13 LEU 81 HD13 LEU 81 3.436 -3.643 1.192 629 HD21 LEU 81 HD21 LEU 81 6.658 -4.787 -0.072 630 HD22 LEU 81 HD22 LEU 81 5.807 -5.800 1.094 631 HD23 LEU 81 HD23 LEU 81 5.810 -4.047 1.287 632 H LYS 82 HN LYS 82 4.167 -7.126 -4.050 633 HA LYS 82 HA LYS 82 3.932 -9.866 -3.549 634 HB2 LYS 82 HB2 LYS 82 3.549 -8.108 -5.909 635 HB3 LYS 82 HB1 LYS 82 3.726 -9.826 -6.228 636 HG2 LYS 82 HG2 LYS 82 1.846 -10.328 -4.802 637 HG3 LYS 82 HG1 LYS 82 1.708 -8.630 -4.343 638 HD2 LYS 82 HD2 LYS 82 1.095 -8.006 -6.563 639 HD3 LYS 82 HD1 LYS 82 1.470 -9.615 -7.179 640 HE2 LYS 82 HE2 LYS 82 -0.594 -9.263 -5.044 641 HE3 LYS 82 HE1 LYS 82 -1.003 -8.948 -6.729 642 HZ1 LYS 82 HZ1 LYS 82 0.077 -11.501 -5.660 643 HZ2 LYS 82 HZ2 LYS 82 -0.306 -11.196 -7.278 644 HZ3 LYS 82 HZ3 LYS 82 -1.529 -11.217 -6.110 645 H ALA 83 HN ALA 83 6.336 -8.052 -5.400 646 HA ALA 83 HA ALA 83 7.739 -10.303 -6.375 647 HB1 ALA 83 HB1 ALA 83 8.676 -7.466 -5.954 648 HB2 ALA 83 HB2 ALA 83 7.969 -8.128 -7.426 649 HB3 ALA 83 HB3 ALA 83 9.542 -8.697 -6.869 650 H ALA 84 HN ALA 84 8.178 -8.213 -3.548 651 HA ALA 84 HA ALA 84 10.564 -9.348 -2.601 652 HB1 ALA 84 HB1 ALA 84 8.364 -8.027 -1.018 653 HB2 ALA 84 HB2 ALA 84 9.701 -7.198 -1.819 654 HB3 ALA 84 HB3 ALA 84 10.021 -8.293 -0.472 655 H ARG 85 HN ARG 85 7.180 -10.182 -1.987 656 HA ARG 85 HA ARG 85 7.827 -12.212 -0.062 657 HB2 ARG 85 HB2 ARG 85 5.336 -11.276 -1.405 658 HB3 ARG 85 HB1 ARG 85 5.334 -12.861 -0.643 659 HG2 ARG 85 HG2 ARG 85 6.077 -10.299 0.758 660 HG3 ARG 85 HG1 ARG 85 4.481 -11.051 0.813 661 HD2 ARG 85 HD2 ARG 85 5.622 -13.122 1.697 662 HD3 ARG 85 HD1 ARG 85 7.081 -12.146 1.862 663 HE ARG 85 HE ARG 85 4.741 -11.052 3.153 664 HH11 ARG 85 HH11 ARG 85 7.621 -12.927 5.231 665 HH12 ARG 85 HH12 ARG 85 7.570 -13.081 3.504 666 HH21 ARG 85 HH21 ARG 85 6.046 -11.693 6.327 667 HH22 ARG 85 HH22 ARG 85 4.777 -10.898 5.444 668 H GLU 86 HN GLU 86 7.822 -12.109 -3.468 669 HA GLU 86 HA GLU 86 7.332 -14.957 -3.774 670 HB2 GLU 86 HB2 GLU 86 7.374 -12.635 -5.517 671 HB3 GLU 86 HB1 GLU 86 8.246 -13.998 -6.205 672 HG2 GLU 86 HG2 GLU 86 6.317 -15.412 -5.992 673 HG3 GLU 86 HG1 GLU 86 5.435 -14.136 -5.155 674 H GLU 87 HN GLU 87 9.966 -12.970 -3.109 675 HA GLU 87 HA GLU 87 11.991 -14.403 -4.508 676 HB2 GLU 87 HB2 GLU 87 12.000 -12.418 -2.259 677 HB3 GLU 87 HB1 GLU 87 13.478 -13.256 -2.716 678 HG2 GLU 87 HG2 GLU 87 11.835 -11.774 -4.732 679 HG3 GLU 87 HG1 GLU 87 13.023 -10.952 -3.725 680 H1 FGV 101 H1 IP3 1 12.093 11.358 -1.774 681 H2 FGV 101 H2 IP3 1 13.171 9.813 -0.149 682 H3 FGV 101 H3 IP3 1 11.893 11.741 0.747 683 H4 FGV 101 H4 IP3 1 9.502 9.837 0.844 684 H5 FGV 101 H5 IP3 1 9.963 12.349 -0.818 685 H6 FGV 101 H6 IP3 1 9.731 9.430 -1.696 686 H11 FGV 101 H11 IP3 1 15.084 9.528 -4.973 687 H12 FGV 101 H12 IP3 1 11.716 8.149 -0.980 688 H14 FGV 101 H14 IP3 1 8.947 12.380 1.149 689 H16 FGV 101 H16 IP3 1 9.837 11.939 -2.972 Start of MODEL 20 1 H1 SER 1 HT1 SER 1 2.205 7.296 11.831 2 H2 SER 1 HT2 SER 1 1.216 5.940 11.657 3 H3 SER 1 HT3 SER 1 1.531 6.933 10.328 4 HA SER 1 HA SER 1 3.536 5.315 11.778 5 HB2 SER 1 HB2 SER 1 2.692 4.865 8.939 6 HB3 SER 1 HB1 SER 1 3.390 3.725 10.090 7 HG SER 1 HG SER 1 0.757 4.452 9.683 8 H GLU 2 HN GLU 2 5.635 5.391 10.889 9 HA GLU 2 HA GLU 2 6.146 7.446 8.876 10 HB2 GLU 2 HB2 GLU 2 8.079 8.250 10.365 11 HB3 GLU 2 HB1 GLU 2 6.452 8.770 10.776 12 HG2 GLU 2 HG2 GLU 2 6.324 7.055 12.500 13 HG3 GLU 2 HG1 GLU 2 7.946 6.507 12.085 14 H ALA 3 HN ALA 3 7.643 5.021 11.005 15 HA ALA 3 HA ALA 3 9.984 4.672 9.488 16 HB1 ALA 3 HB1 ALA 3 10.343 2.665 10.801 17 HB2 ALA 3 HB2 ALA 3 8.661 2.681 11.328 18 HB3 ALA 3 HB3 ALA 3 9.756 3.965 11.839 19 H VAL 4 HN VAL 4 6.966 2.803 9.562 20 HA VAL 4 HA VAL 4 7.650 0.823 7.738 21 HB VAL 4 HB VAL 4 4.933 2.061 8.206 22 HG11 VAL 4 HG11 VAL 4 5.657 -0.573 6.921 23 HG12 VAL 4 HG12 VAL 4 4.962 0.828 6.105 24 HG13 VAL 4 HG13 VAL 4 4.022 -0.041 7.318 25 HG21 VAL 4 HG21 VAL 4 6.273 -0.346 9.425 26 HG22 VAL 4 HG22 VAL 4 4.592 0.115 9.678 27 HG23 VAL 4 HG23 VAL 4 5.889 1.171 10.236 28 H ILE 5 HN ILE 5 6.418 4.077 7.142 29 HA ILE 5 HA ILE 5 5.862 3.803 4.413 30 HB ILE 5 HB ILE 5 6.805 6.291 5.841 31 HG12 ILE 5 HG12 ILE 5 4.016 5.226 5.353 32 HG13 ILE 5 HG11 ILE 5 4.826 5.325 6.912 33 HG21 ILE 5 HG21 ILE 5 5.515 5.835 3.170 34 HG22 ILE 5 HG22 ILE 5 6.988 6.728 3.546 35 HG23 ILE 5 HG23 ILE 5 5.414 7.386 3.999 36 HD11 ILE 5 HD11 ILE 5 3.250 7.116 6.727 37 HD12 ILE 5 HD12 ILE 5 3.939 7.622 5.183 38 HD13 ILE 5 HD13 ILE 5 4.880 7.786 6.666 39 H LYS 6 HN LYS 6 8.830 4.844 6.070 40 HA LYS 6 HA LYS 6 10.335 5.317 3.728 41 HB2 LYS 6 HB2 LYS 6 11.130 4.743 6.576 42 HB3 LYS 6 HB1 LYS 6 12.321 5.022 5.311 43 HG2 LYS 6 HG2 LYS 6 10.134 6.969 6.006 44 HG3 LYS 6 HG1 LYS 6 11.756 7.022 6.697 45 HD2 LYS 6 HD2 LYS 6 11.259 7.081 3.726 46 HD3 LYS 6 HD1 LYS 6 11.317 8.545 4.712 47 HE2 LYS 6 HE2 LYS 6 13.572 8.117 5.349 48 HE3 LYS 6 HE1 LYS 6 13.529 6.509 4.629 49 HZ1 LYS 6 HZ1 LYS 6 12.862 8.483 2.710 50 HZ2 LYS 6 HZ2 LYS 6 14.114 7.345 2.680 51 HZ3 LYS 6 HZ3 LYS 6 14.351 8.842 3.426 52 H VAL 7 HN VAL 7 9.877 2.470 5.735 53 HA VAL 7 HA VAL 7 11.818 0.818 4.564 54 HB VAL 7 HB VAL 7 9.169 0.065 5.822 55 HG11 VAL 7 HG11 VAL 7 10.068 -2.174 6.090 56 HG12 VAL 7 HG12 VAL 7 11.558 -1.695 5.279 57 HG13 VAL 7 HG13 VAL 7 10.040 -1.735 4.382 58 HG21 VAL 7 HG21 VAL 7 10.713 1.287 7.293 59 HG22 VAL 7 HG22 VAL 7 11.953 0.071 6.981 60 HG23 VAL 7 HG23 VAL 7 10.467 -0.378 7.819 61 H ILE 8 HN ILE 8 8.437 1.408 3.712 62 HA ILE 8 HA ILE 8 8.420 -0.464 1.553 63 HB ILE 8 HB ILE 8 6.523 1.804 2.162 64 HG12 ILE 8 HG12 ILE 8 6.531 0.189 3.963 65 HG13 ILE 8 HG11 ILE 8 5.062 -0.032 3.023 66 HG21 ILE 8 HG21 ILE 8 4.948 0.658 0.688 67 HG22 ILE 8 HG22 ILE 8 6.189 -0.531 0.287 68 HG23 ILE 8 HG23 ILE 8 6.401 1.157 -0.177 69 HD11 ILE 8 HD11 ILE 8 6.228 -1.904 1.824 70 HD12 ILE 8 HD12 ILE 8 5.900 -2.184 3.535 71 HD13 ILE 8 HD13 ILE 8 7.525 -1.748 3.009 72 H SER 9 HN SER 9 8.838 3.047 1.810 73 HA SER 9 HA SER 9 8.822 3.651 -0.918 74 HB2 SER 9 HB2 SER 9 10.420 4.998 1.269 75 HB3 SER 9 HB1 SER 9 10.055 5.688 -0.310 76 HG SER 9 HG SER 9 8.194 4.988 1.717 77 H SER 10 HN SER 10 11.520 2.689 1.181 78 HA SER 10 HA SER 10 13.501 2.939 -0.843 79 HB2 SER 10 HB2 SER 10 13.712 1.208 1.621 80 HB3 SER 10 HB1 SER 10 15.011 2.013 0.740 81 HG SER 10 HG SER 10 13.091 3.106 2.483 82 H ALA 11 HN ALA 11 11.145 0.557 -0.214 83 HA ALA 11 HA ALA 11 12.649 -1.596 -1.452 84 HB1 ALA 11 HB1 ALA 11 11.157 -2.065 0.445 85 HB2 ALA 11 HB2 ALA 11 10.719 -2.980 -0.999 86 HB3 ALA 11 HB3 ALA 11 9.780 -1.562 -0.535 87 H CYS 12 HN CYS 12 9.674 0.247 -2.152 88 HA CYS 12 HA CYS 12 9.238 -0.963 -4.673 89 HB2 CYS 12 HB2 CYS 12 7.722 1.045 -5.061 90 HB3 CYS 12 HB1 CYS 12 7.355 0.056 -3.654 91 HG CYS 12 HG CYS 12 8.295 1.814 -1.786 92 H LYS 13 HN LYS 13 11.266 1.636 -3.637 93 HA LYS 13 HA LYS 13 11.614 2.969 -6.089 94 HB2 LYS 13 HB2 LYS 13 13.050 2.829 -3.508 95 HB3 LYS 13 HB1 LYS 13 14.012 3.331 -4.891 96 HG2 LYS 13 HG2 LYS 13 11.381 4.644 -4.506 97 HG3 LYS 13 HG1 LYS 13 12.688 5.056 -3.391 98 HD2 LYS 13 HD2 LYS 13 14.094 5.775 -5.165 99 HD3 LYS 13 HD1 LYS 13 13.001 5.116 -6.383 100 HE2 LYS 13 HE2 LYS 13 11.405 6.789 -6.021 101 HE3 LYS 13 HE1 LYS 13 12.114 7.254 -4.475 102 HZ1 LYS 13 HZ1 LYS 13 12.550 8.826 -6.325 103 HZ2 LYS 13 HZ2 LYS 13 13.471 7.630 -7.088 104 HZ3 LYS 13 HZ3 LYS 13 13.958 8.244 -5.588 105 H THR 14 HN THR 14 12.972 0.021 -4.829 106 HA THR 14 HA THR 14 14.941 -0.133 -6.965 107 HB THR 14 HB THR 14 14.431 -2.338 -4.997 108 HG1 THR 14 HG1 THR 14 15.713 -1.208 -3.476 109 HG21 THR 14 HG21 THR 14 16.996 -1.207 -6.122 110 HG22 THR 14 HG22 THR 14 16.114 -2.557 -6.832 111 HG23 THR 14 HG23 THR 14 16.798 -2.704 -5.214 112 H TYR 15 HN TYR 15 11.919 -1.655 -5.973 113 HA TYR 15 HA TYR 15 12.073 -3.688 -8.013 114 HB2 TYR 15 HB2 TYR 15 10.074 -2.940 -5.912 115 HB3 TYR 15 HB1 TYR 15 9.590 -4.006 -7.229 116 HD1 TYR 15 HD1 TYR 15 11.759 -3.664 -4.276 117 HD2 TYR 15 HD2 TYR 15 10.423 -6.260 -7.368 118 HE1 TYR 15 HE1 TYR 15 12.746 -5.580 -3.084 119 HE2 TYR 15 HE2 TYR 15 11.401 -8.183 -6.186 120 HH TYR 15 HH TYR 15 13.010 -8.714 -4.552 121 H CYS 16 HN CYS 16 9.976 -0.853 -7.463 122 HA CYS 16 HA CYS 16 8.829 -1.157 -10.111 123 HB2 CYS 16 HB2 CYS 16 8.331 1.085 -8.153 124 HB3 CYS 16 HB1 CYS 16 7.300 0.558 -9.482 125 HG CYS 16 HG CYS 16 7.153 -2.094 -8.076 126 H GLY 17 HN GLY 17 11.091 0.933 -8.438 127 HA2 GLY 17 HA2 GLY 17 12.881 1.931 -9.730 128 HA3 GLY 17 HA1 GLY 17 11.728 2.176 -11.037 129 H LYS 18 HN LYS 18 11.926 4.375 -11.225 130 HA LYS 18 HA LYS 18 11.697 6.067 -8.885 131 HB2 LYS 18 HB2 LYS 18 11.971 7.924 -10.451 132 HB3 LYS 18 HB1 LYS 18 13.206 6.702 -10.692 133 HG2 LYS 18 HG2 LYS 18 11.747 5.810 -12.570 134 HG3 LYS 18 HG1 LYS 18 10.834 7.311 -12.421 135 HD2 LYS 18 HD2 LYS 18 13.804 7.148 -12.907 136 HD3 LYS 18 HD1 LYS 18 12.593 7.394 -14.165 137 HE2 LYS 18 HE2 LYS 18 11.969 9.495 -13.290 138 HE3 LYS 18 HE1 LYS 18 12.844 9.217 -11.787 139 HZ1 LYS 18 HZ1 LYS 18 14.912 9.391 -12.939 140 HZ2 LYS 18 HZ2 LYS 18 13.977 10.740 -13.343 141 HZ3 LYS 18 HZ3 LYS 18 14.140 9.467 -14.442 142 H THR 19 HN THR 19 9.529 4.428 -10.718 143 HA THR 19 HA THR 19 7.442 6.461 -10.704 144 HB THR 19 HB THR 19 6.121 4.325 -11.568 145 HG1 THR 19 HG1 THR 19 7.366 2.667 -11.987 146 HG21 THR 19 HG21 THR 19 6.577 6.358 -12.880 147 HG22 THR 19 HG22 THR 19 6.759 4.898 -13.851 148 HG23 THR 19 HG23 THR 19 8.187 5.745 -13.259 149 H SER 20 HN SER 20 8.704 5.151 -8.297 150 HA SER 20 HA SER 20 6.708 3.522 -7.063 151 HB2 SER 20 HB2 SER 20 8.295 4.274 -5.018 152 HB3 SER 20 HB1 SER 20 8.752 3.014 -6.164 153 HG SER 20 HG SER 20 10.248 4.275 -6.970 154 HA PRO 21 HA PRO 21 4.225 6.670 -5.196 155 HB2 PRO 21 HB2 PRO 21 3.581 5.558 -2.800 156 HB3 PRO 21 HB1 PRO 21 2.915 4.977 -4.337 157 HG2 PRO 21 HG2 PRO 21 5.116 3.839 -2.695 158 HG3 PRO 21 HG1 PRO 21 3.822 3.015 -3.589 159 HD2 PRO 21 HD2 PRO 21 6.369 3.246 -4.525 160 HD3 PRO 21 HD1 PRO 21 4.946 3.110 -5.574 161 H SER 22 HN SER 22 4.454 8.476 -3.970 162 HA SER 22 HA SER 22 6.961 8.864 -2.618 163 HB2 SER 22 HB2 SER 22 4.663 10.813 -2.653 164 HB3 SER 22 HB1 SER 22 6.391 11.155 -2.582 165 HG SER 22 HG SER 22 6.364 10.026 -4.764 166 H LYS 23 HN LYS 23 6.852 10.082 -0.425 167 HA LYS 23 HA LYS 23 5.914 8.320 1.518 168 HB2 LYS 23 HB2 LYS 23 7.724 9.890 1.946 169 HB3 LYS 23 HB1 LYS 23 6.618 11.247 1.787 170 HG2 LYS 23 HG2 LYS 23 5.414 10.529 3.767 171 HG3 LYS 23 HG1 LYS 23 6.462 9.116 3.909 172 HD2 LYS 23 HD2 LYS 23 8.396 10.587 4.206 173 HD3 LYS 23 HD1 LYS 23 7.336 11.995 4.084 174 HE2 LYS 23 HE2 LYS 23 6.099 11.204 6.062 175 HE3 LYS 23 HE1 LYS 23 7.218 9.847 6.195 176 HZ1 LYS 23 HZ1 LYS 23 7.759 12.718 6.614 177 HZ2 LYS 23 HZ2 LYS 23 9.013 11.624 6.320 178 HZ3 LYS 23 HZ3 LYS 23 8.021 11.429 7.673 179 H LYS 24 HN LYS 24 4.543 11.403 0.411 180 HA LYS 24 HA LYS 24 2.368 11.444 2.189 181 HB2 LYS 24 HB2 LYS 24 2.835 12.758 -0.478 182 HB3 LYS 24 HB1 LYS 24 1.355 13.008 0.441 183 HG2 LYS 24 HG2 LYS 24 2.582 13.941 2.276 184 HG3 LYS 24 HG1 LYS 24 4.118 13.544 1.506 185 HD2 LYS 24 HD2 LYS 24 2.214 15.241 -0.009 186 HD3 LYS 24 HD1 LYS 24 3.043 15.970 1.368 187 HE2 LYS 24 HE2 LYS 24 5.188 15.038 0.330 188 HE3 LYS 24 HE1 LYS 24 4.224 14.782 -1.123 189 HZ1 LYS 24 HZ1 LYS 24 3.815 17.095 -1.301 190 HZ2 LYS 24 HZ2 LYS 24 5.474 16.926 -1.032 191 HZ3 LYS 24 HZ3 LYS 24 4.460 17.412 0.228 192 H GLU 25 HN GLU 25 2.867 9.713 -0.768 193 HA GLU 25 HA GLU 25 0.136 9.162 -1.365 194 HB2 GLU 25 HB2 GLU 25 2.722 7.810 -2.154 195 HB3 GLU 25 HB1 GLU 25 1.150 7.265 -2.723 196 HG2 GLU 25 HG2 GLU 25 1.967 10.106 -3.112 197 HG3 GLU 25 HG1 GLU 25 2.579 8.847 -4.186 198 H ILE 26 HN ILE 26 2.729 7.271 0.148 199 HA ILE 26 HA ILE 26 1.100 5.074 0.868 200 HB ILE 26 HB ILE 26 3.704 5.974 2.127 201 HG12 ILE 26 HG12 ILE 26 3.315 3.917 -0.052 202 HG13 ILE 26 HG11 ILE 26 3.699 5.603 -0.390 203 HG21 ILE 26 HG21 ILE 26 2.549 4.354 3.509 204 HG22 ILE 26 HG22 ILE 26 3.948 3.600 2.749 205 HG23 ILE 26 HG23 ILE 26 2.327 3.285 2.125 206 HD11 ILE 26 HD11 ILE 26 5.792 5.397 0.786 207 HD12 ILE 26 HD12 ILE 26 5.668 4.136 -0.440 208 HD13 ILE 26 HD13 ILE 26 5.400 3.745 1.259 209 H GLY 27 HN GLY 27 2.031 8.045 2.523 210 HA2 GLY 27 HA2 GLY 27 1.120 7.458 5.096 211 HA3 GLY 27 HA1 GLY 27 1.196 9.068 4.397 212 H ALA 28 HN ALA 28 -0.664 8.793 2.335 213 HA ALA 28 HA ALA 28 -3.088 9.155 3.783 214 HB1 ALA 28 HB1 ALA 28 -2.587 10.418 1.750 215 HB2 ALA 28 HB2 ALA 28 -4.104 9.534 1.595 216 HB3 ALA 28 HB3 ALA 28 -2.648 8.930 0.805 217 H MET 29 HN MET 29 -1.832 6.624 1.670 218 HA MET 29 HA MET 29 -4.107 5.020 1.482 219 HB2 MET 29 HB2 MET 29 -1.963 4.765 0.183 220 HB3 MET 29 HB1 MET 29 -1.255 4.030 1.612 221 HG2 MET 29 HG2 MET 29 -3.077 2.308 1.511 222 HG3 MET 29 HG1 MET 29 -3.530 2.985 -0.052 223 HE1 MET 29 HE1 MET 29 0.285 0.612 0.915 224 HE2 MET 29 HE2 MET 29 -1.143 0.747 1.939 225 HE3 MET 29 HE3 MET 29 -0.069 2.132 1.737 226 H LEU 30 HN LEU 30 -1.470 4.940 3.861 227 HA LEU 30 HA LEU 30 -2.378 2.757 5.361 228 HB2 LEU 30 HB2 LEU 30 -0.467 4.954 5.735 229 HB3 LEU 30 HB1 LEU 30 -1.133 4.313 7.226 230 HG LEU 30 HG LEU 30 -0.325 2.092 6.689 231 HD11 LEU 30 HD11 LEU 30 0.596 3.345 4.111 232 HD12 LEU 30 HD12 LEU 30 -0.559 2.028 4.313 233 HD13 LEU 30 HD13 LEU 30 1.145 1.776 4.697 234 HD21 LEU 30 HD21 LEU 30 1.202 3.564 7.849 235 HD22 LEU 30 HD22 LEU 30 1.780 4.214 6.315 236 HD23 LEU 30 HD23 LEU 30 2.091 2.528 6.732 237 H SER 31 HN SER 31 -3.184 6.171 5.546 238 HA SER 31 HA SER 31 -4.636 6.043 7.962 239 HB2 SER 31 HB2 SER 31 -3.776 8.143 6.887 240 HB3 SER 31 HB1 SER 31 -5.048 7.982 5.678 241 HG SER 31 HG SER 31 -5.550 8.103 8.468 242 H LEU 32 HN LEU 32 -5.594 5.773 4.566 243 HA LEU 32 HA LEU 32 -8.369 5.566 4.989 244 HB2 LEU 32 HB2 LEU 32 -7.073 5.984 2.813 245 HB3 LEU 32 HB1 LEU 32 -6.862 4.248 2.741 246 HG LEU 32 HG LEU 32 -8.796 5.394 1.412 247 HD11 LEU 32 HD11 LEU 32 -8.445 2.994 1.486 248 HD12 LEU 32 HD12 LEU 32 -10.160 3.371 1.623 249 HD13 LEU 32 HD13 LEU 32 -9.244 2.906 3.057 250 HD21 LEU 32 HD21 LEU 32 -10.120 5.039 4.096 251 HD22 LEU 32 HD22 LEU 32 -10.889 5.546 2.594 252 HD23 LEU 32 HD23 LEU 32 -9.706 6.595 3.374 253 H LEU 33 HN LEU 33 -5.800 3.152 4.831 254 HA LEU 33 HA LEU 33 -7.349 0.840 4.868 255 HB2 LEU 33 HB2 LEU 33 -4.606 1.391 5.990 256 HB3 LEU 33 HB1 LEU 33 -5.320 -0.210 5.963 257 HG LEU 33 HG LEU 33 -4.894 1.440 3.473 258 HD11 LEU 33 HD11 LEU 33 -2.978 -0.143 3.083 259 HD12 LEU 33 HD12 LEU 33 -3.104 -0.592 4.782 260 HD13 LEU 33 HD13 LEU 33 -2.719 1.069 4.335 261 HD21 LEU 33 HD21 LEU 33 -5.474 -1.484 3.913 262 HD22 LEU 33 HD22 LEU 33 -5.155 -0.730 2.352 263 HD23 LEU 33 HD23 LEU 33 -6.593 -0.282 3.271 264 H GLN 34 HN GLN 34 -6.203 2.822 7.567 265 HA GLN 34 HA GLN 34 -7.324 1.069 9.551 266 HB2 GLN 34 HB2 GLN 34 -6.046 3.787 9.629 267 HB3 GLN 34 HB1 GLN 34 -6.869 3.150 11.044 268 HG2 GLN 34 HG2 GLN 34 -5.379 1.278 11.142 269 HG3 GLN 34 HG1 GLN 34 -4.629 1.741 9.615 270 HE21 GLN 34 HE21 GLN 34 -3.517 1.382 12.334 271 HE22 GLN 34 HE22 GLN 34 -2.708 2.869 12.690 272 H LYS 35 HN LYS 35 -8.297 4.036 7.935 273 HA LYS 35 HA LYS 35 -10.498 4.679 9.546 274 HB2 LYS 35 HB2 LYS 35 -9.873 6.402 8.146 275 HB3 LYS 35 HB1 LYS 35 -9.668 5.345 6.757 276 HG2 LYS 35 HG2 LYS 35 -11.967 5.294 6.311 277 HG3 LYS 35 HG1 LYS 35 -12.379 5.912 7.912 278 HD2 LYS 35 HD2 LYS 35 -12.043 8.054 7.316 279 HD3 LYS 35 HD1 LYS 35 -10.636 7.659 6.325 280 HE2 LYS 35 HE2 LYS 35 -12.590 8.572 5.056 281 HE3 LYS 35 HE1 LYS 35 -12.010 7.006 4.498 282 HZ1 LYS 35 HZ1 LYS 35 -14.235 7.193 6.425 283 HZ2 LYS 35 HZ2 LYS 35 -13.841 5.918 5.377 284 HZ3 LYS 35 HZ3 LYS 35 -14.507 7.350 4.763 285 H GLU 36 HN GLU 36 -10.301 2.653 6.635 286 HA GLU 36 HA GLU 36 -13.136 2.101 6.703 287 HB2 GLU 36 HB2 GLU 36 -10.912 0.950 5.008 288 HB3 GLU 36 HB1 GLU 36 -12.619 0.568 4.805 289 HG2 GLU 36 HG2 GLU 36 -11.348 3.281 4.494 290 HG3 GLU 36 HG1 GLU 36 -11.915 2.234 3.194 291 H GLY 37 HN GLY 37 -10.688 1.054 8.595 292 HA2 GLY 37 HA2 GLY 37 -10.590 -0.656 10.133 293 HA3 GLY 37 HA1 GLY 37 -12.193 -1.144 9.606 294 H LEU 38 HN LEU 38 -9.697 -0.883 7.239 295 HA LEU 38 HA LEU 38 -9.934 -3.661 6.594 296 HB2 LEU 38 HB2 LEU 38 -8.133 -1.487 5.530 297 HB3 LEU 38 HB1 LEU 38 -8.140 -3.124 4.907 298 HG LEU 38 HG LEU 38 -10.548 -1.308 4.909 299 HD11 LEU 38 HD11 LEU 38 -8.891 -0.357 3.451 300 HD12 LEU 38 HD12 LEU 38 -10.136 -1.135 2.474 301 HD13 LEU 38 HD13 LEU 38 -8.580 -1.929 2.714 302 HD21 LEU 38 HD21 LEU 38 -11.208 -3.606 4.884 303 HD22 LEU 38 HD22 LEU 38 -10.000 -3.995 3.661 304 HD23 LEU 38 HD23 LEU 38 -11.377 -2.976 3.245 305 H LEU 39 HN LEU 39 -7.429 -1.600 7.996 306 HA LEU 39 HA LEU 39 -6.133 -4.022 9.047 307 HB2 LEU 39 HB2 LEU 39 -4.737 -1.610 7.876 308 HB3 LEU 39 HB1 LEU 39 -3.930 -2.922 8.716 309 HG LEU 39 HG LEU 39 -5.428 -3.137 6.096 310 HD11 LEU 39 HD11 LEU 39 -3.105 -2.019 6.246 311 HD12 LEU 39 HD12 LEU 39 -3.374 -3.277 5.039 312 HD13 LEU 39 HD13 LEU 39 -2.515 -3.655 6.533 313 HD21 LEU 39 HD21 LEU 39 -5.747 -5.249 6.905 314 HD22 LEU 39 HD22 LEU 39 -4.351 -5.172 7.976 315 HD23 LEU 39 HD23 LEU 39 -4.120 -5.449 6.251 316 H MET 40 HN MET 40 -4.722 -3.538 10.943 317 HA MET 40 HA MET 40 -5.965 -1.413 12.547 318 HB2 MET 40 HB2 MET 40 -6.239 -3.703 13.409 319 HB3 MET 40 HB1 MET 40 -4.494 -3.895 13.443 320 HG2 MET 40 HG2 MET 40 -4.393 -1.984 15.052 321 HG3 MET 40 HG1 MET 40 -6.153 -2.035 15.125 322 HE1 MET 40 HE1 MET 40 -3.290 -5.282 16.703 323 HE2 MET 40 HE2 MET 40 -2.802 -3.709 16.072 324 HE3 MET 40 HE3 MET 40 -3.424 -4.942 14.979 325 H SER 41 HN SER 41 -2.841 -2.982 11.909 326 HA SER 41 HA SER 41 -1.523 -0.514 12.843 327 HB2 SER 41 HB2 SER 41 0.479 -2.203 13.106 328 HB3 SER 41 HB1 SER 41 -0.770 -2.125 14.347 329 HG SER 41 HG SER 41 -1.412 -3.857 12.326 330 HA PRO 42 HA PRO 42 0.240 -0.028 8.808 331 HB2 PRO 42 HB2 PRO 42 2.758 0.859 9.402 332 HB3 PRO 42 HB1 PRO 42 1.314 1.876 9.540 333 HG2 PRO 42 HG2 PRO 42 2.801 0.421 11.670 334 HG3 PRO 42 HG1 PRO 42 2.096 2.050 11.689 335 HD2 PRO 42 HD2 PRO 42 0.866 -0.038 12.860 336 HD3 PRO 42 HD1 PRO 42 -0.035 1.280 12.086 337 H SER 43 HN SER 43 1.614 -2.149 11.112 338 HA SER 43 HA SER 43 3.561 -3.299 9.308 339 HB2 SER 43 HB2 SER 43 3.361 -4.987 11.483 340 HB3 SER 43 HB1 SER 43 4.480 -3.629 11.343 341 HG SER 43 HG SER 43 2.283 -3.933 12.942 342 H ASP 44 HN ASP 44 0.304 -3.477 9.490 343 HA ASP 44 HA ASP 44 -0.186 -6.280 9.357 344 HB2 ASP 44 HB2 ASP 44 -1.737 -3.797 8.887 345 HB3 ASP 44 HB1 ASP 44 -2.319 -5.244 8.078 346 H LEU 45 HN LEU 45 0.989 -3.986 7.106 347 HA LEU 45 HA LEU 45 0.063 -5.171 4.709 348 HB2 LEU 45 HB2 LEU 45 2.287 -3.266 5.340 349 HB3 LEU 45 HB1 LEU 45 2.090 -3.905 3.723 350 HG LEU 45 HG LEU 45 1.014 -1.844 3.642 351 HD11 LEU 45 HD11 LEU 45 -0.374 -3.745 2.814 352 HD12 LEU 45 HD12 LEU 45 -1.285 -2.305 3.265 353 HD13 LEU 45 HD13 LEU 45 -1.247 -3.699 4.344 354 HD21 LEU 45 HD21 LEU 45 1.035 -1.307 6.001 355 HD22 LEU 45 HD22 LEU 45 -0.241 -2.486 6.303 356 HD23 LEU 45 HD23 LEU 45 -0.580 -1.049 5.338 357 H TYR 46 HN TYR 46 2.401 -6.206 6.926 358 HA TYR 46 HA TYR 46 4.105 -7.544 5.044 359 HB2 TYR 46 HB2 TYR 46 3.840 -7.768 8.044 360 HB3 TYR 46 HB1 TYR 46 5.030 -8.659 7.102 361 HD1 TYR 46 HD1 TYR 46 6.082 -6.741 5.231 362 HD2 TYR 46 HD2 TYR 46 4.927 -6.156 9.280 363 HE1 TYR 46 HE1 TYR 46 7.642 -4.846 5.394 364 HE2 TYR 46 HE2 TYR 46 6.482 -4.259 9.458 365 HH TYR 46 HH TYR 46 8.321 -3.283 8.451 366 H SER 47 HN SER 47 1.033 -8.171 6.213 367 HA SER 47 HA SER 47 1.280 -11.070 6.090 368 HB2 SER 47 HB2 SER 47 -1.198 -9.419 6.610 369 HB3 SER 47 HB1 SER 47 -0.958 -11.131 6.962 370 HG SER 47 HG SER 47 -0.672 -9.456 8.726 371 HA PRO 48 HA PRO 48 0.261 -10.726 1.724 372 HB2 PRO 48 HB2 PRO 48 0.554 -13.377 1.166 373 HB3 PRO 48 HB1 PRO 48 1.926 -12.267 1.349 374 HG2 PRO 48 HG2 PRO 48 0.792 -14.199 3.310 375 HG3 PRO 48 HG1 PRO 48 2.489 -13.837 2.934 376 HD2 PRO 48 HD2 PRO 48 1.235 -12.823 5.103 377 HD3 PRO 48 HD1 PRO 48 2.519 -11.950 4.242 378 H GLY 49 HN GLY 49 -1.257 -12.973 3.981 379 HA2 GLY 49 HA2 GLY 49 -3.323 -13.811 2.202 380 HA3 GLY 49 HA1 GLY 49 -3.312 -14.013 3.946 381 H SER 50 HN SER 50 -2.912 -10.998 4.151 382 HA SER 50 HA SER 50 -5.743 -10.391 4.196 383 HB2 SER 50 HB2 SER 50 -3.444 -8.665 5.106 384 HB3 SER 50 HB1 SER 50 -5.140 -8.520 5.569 385 HG SER 50 HG SER 50 -4.908 -10.092 6.965 386 H TRP 51 HN TRP 51 -3.346 -10.069 1.924 387 HA TRP 51 HA TRP 51 -3.835 -7.441 0.968 388 HB2 TRP 51 HB2 TRP 51 -2.671 -9.868 -0.401 389 HB3 TRP 51 HB1 TRP 51 -2.747 -8.274 -1.142 390 HD1 TRP 51 HD1 TRP 51 -1.936 -6.957 1.894 391 HE1 TRP 51 HE1 TRP 51 0.577 -6.914 2.444 392 HE3 TRP 51 HE3 TRP 51 -0.314 -10.441 -1.480 393 HZ2 TRP 51 HZ2 TRP 51 2.937 -8.182 1.559 394 HZ3 TRP 51 HZ3 TRP 51 2.090 -10.963 -1.566 395 HH2 TRP 51 HH2 TRP 51 3.682 -9.860 -0.079 396 H ASP 52 HN ASP 52 -5.308 -10.556 0.322 397 HA ASP 52 HA ASP 52 -6.664 -9.946 -2.033 398 HB2 ASP 52 HB2 ASP 52 -6.404 -12.229 -1.030 399 HB3 ASP 52 HB1 ASP 52 -7.672 -11.816 0.116 400 HA PRO 53 HA PRO 53 -10.613 -8.712 0.577 401 HB2 PRO 53 HB2 PRO 53 -9.961 -7.739 3.107 402 HB3 PRO 53 HB1 PRO 53 -10.662 -9.333 2.770 403 HG2 PRO 53 HG2 PRO 53 -7.844 -8.584 3.299 404 HG3 PRO 53 HG1 PRO 53 -8.744 -10.034 3.783 405 HD2 PRO 53 HD2 PRO 53 -6.981 -10.093 1.763 406 HD3 PRO 53 HD1 PRO 53 -8.470 -11.059 1.737 407 H ILE 54 HN ILE 54 -7.552 -7.085 1.399 408 HA ILE 54 HA ILE 54 -8.558 -4.458 1.461 409 HB ILE 54 HB ILE 54 -5.774 -5.406 0.770 410 HG12 ILE 54 HG12 ILE 54 -6.827 -4.272 3.367 411 HG13 ILE 54 HG11 ILE 54 -6.673 -6.000 3.047 412 HG21 ILE 54 HG21 ILE 54 -6.147 -3.156 -0.070 413 HG22 ILE 54 HG22 ILE 54 -5.053 -3.130 1.311 414 HG23 ILE 54 HG23 ILE 54 -6.738 -2.648 1.512 415 HD11 ILE 54 HD11 ILE 54 -4.273 -5.744 2.777 416 HD12 ILE 54 HD12 ILE 54 -4.798 -5.128 4.344 417 HD13 ILE 54 HD13 ILE 54 -4.417 -4.006 3.038 418 H THR 55 HN THR 55 -6.940 -6.234 -1.164 419 HA THR 55 HA THR 55 -7.043 -4.209 -3.087 420 HB THR 55 HB THR 55 -7.237 -7.168 -3.673 421 HG1 THR 55 HG1 THR 55 -5.476 -6.864 -2.291 422 HG21 THR 55 HG21 THR 55 -6.048 -6.593 -5.722 423 HG22 THR 55 HG22 THR 55 -6.002 -4.899 -5.234 424 HG23 THR 55 HG23 THR 55 -7.545 -5.667 -5.600 425 H ALA 56 HN ALA 56 -9.395 -6.731 -2.253 426 HA ALA 56 HA ALA 56 -11.218 -6.220 -4.339 427 HB1 ALA 56 HB1 ALA 56 -11.661 -7.398 -1.603 428 HB2 ALA 56 HB2 ALA 56 -11.333 -8.269 -3.100 429 HB3 ALA 56 HB3 ALA 56 -12.854 -7.402 -2.901 430 H ALA 57 HN ALA 57 -11.065 -5.002 -1.003 431 HA ALA 57 HA ALA 57 -13.450 -3.510 -1.109 432 HB1 ALA 57 HB1 ALA 57 -11.069 -2.880 0.615 433 HB2 ALA 57 HB2 ALA 57 -12.193 -4.196 0.956 434 HB3 ALA 57 HB3 ALA 57 -12.766 -2.529 0.940 435 H LEU 58 HN LEU 58 -10.070 -2.567 -1.649 436 HA LEU 58 HA LEU 58 -10.592 0.169 -2.084 437 HB2 LEU 58 HB2 LEU 58 -8.314 -1.553 -3.051 438 HB3 LEU 58 HB1 LEU 58 -8.358 0.192 -3.184 439 HG LEU 58 HG LEU 58 -8.271 -1.419 -0.635 440 HD11 LEU 58 HD11 LEU 58 -6.146 -1.193 -1.839 441 HD12 LEU 58 HD12 LEU 58 -6.138 -0.324 -0.306 442 HD13 LEU 58 HD13 LEU 58 -6.333 0.561 -1.821 443 HD21 LEU 58 HD21 LEU 58 -8.189 0.767 0.504 444 HD22 LEU 58 HD22 LEU 58 -9.734 0.480 -0.296 445 HD23 LEU 58 HD23 LEU 58 -8.548 1.559 -1.031 446 H SER 59 HN SER 59 -10.401 -2.565 -4.337 447 HA SER 59 HA SER 59 -10.765 -0.940 -6.656 448 HB2 SER 59 HB2 SER 59 -11.264 -3.914 -6.340 449 HB3 SER 59 HB1 SER 59 -11.040 -3.044 -7.857 450 HG SER 59 HG SER 59 -9.161 -3.694 -5.872 451 H GLN 60 HN GLN 60 -12.877 -2.514 -4.379 452 HA GLN 60 HA GLN 60 -15.260 -2.463 -5.885 453 HB2 GLN 60 HB2 GLN 60 -14.849 -3.728 -3.741 454 HB3 GLN 60 HB1 GLN 60 -15.008 -2.204 -2.883 455 HG2 GLN 60 HG2 GLN 60 -17.300 -2.001 -3.897 456 HG3 GLN 60 HG1 GLN 60 -17.111 -3.661 -4.458 457 HE21 GLN 60 HE21 GLN 60 -15.936 -2.359 -1.409 458 HE22 GLN 60 HE22 GLN 60 -16.961 -3.312 -0.401 459 H ARG 61 HN ARG 61 -14.162 -0.250 -3.306 460 HA ARG 61 HA ARG 61 -16.195 1.652 -3.693 461 HB2 ARG 61 HB2 ARG 61 -14.816 3.169 -2.368 462 HB3 ARG 61 HB1 ARG 61 -14.839 1.565 -1.652 463 HG2 ARG 61 HG2 ARG 61 -12.635 1.142 -2.762 464 HG3 ARG 61 HG1 ARG 61 -12.615 2.848 -3.208 465 HD2 ARG 61 HD2 ARG 61 -13.237 2.645 -0.441 466 HD3 ARG 61 HD1 ARG 61 -11.817 1.654 -0.767 467 HE ARG 61 HE ARG 61 -10.825 3.687 -1.792 468 HH11 ARG 61 HH11 ARG 61 -13.431 4.019 0.531 469 HH12 ARG 61 HH12 ARG 61 -12.963 5.616 1.014 470 HH21 ARG 61 HH21 ARG 61 -10.179 5.779 -1.117 471 HH22 ARG 61 HH22 ARG 61 -11.128 6.613 0.079 472 H ALA 62 HN ALA 62 -13.225 1.084 -5.379 473 HA ALA 62 HA ALA 62 -12.995 3.638 -6.603 474 HB1 ALA 62 HB1 ALA 62 -11.894 1.021 -7.611 475 HB2 ALA 62 HB2 ALA 62 -11.129 2.009 -6.367 476 HB3 ALA 62 HB3 ALA 62 -11.325 2.642 -8.003 477 H MET 63 HN MET 63 -14.551 0.607 -7.550 478 HA MET 63 HA MET 63 -15.315 1.723 -10.114 479 HB2 MET 63 HB2 MET 63 -16.242 -0.450 -10.621 480 HB3 MET 63 HB1 MET 63 -14.636 -0.649 -9.940 481 HG2 MET 63 HG2 MET 63 -15.597 -1.241 -7.793 482 HG3 MET 63 HG1 MET 63 -17.219 -1.016 -8.442 483 HE1 MET 63 HE1 MET 63 -13.958 -2.769 -9.946 484 HE2 MET 63 HE2 MET 63 -14.323 -4.442 -9.524 485 HE3 MET 63 HE3 MET 63 -14.065 -3.246 -8.253 486 H ILE 64 HN ILE 64 -16.636 1.462 -6.960 487 HA ILE 64 HA ILE 64 -19.375 1.764 -7.868 488 HB ILE 64 HB ILE 64 -18.195 1.733 -5.086 489 HG12 ILE 64 HG12 ILE 64 -19.917 -0.258 -6.579 490 HG13 ILE 64 HG11 ILE 64 -18.195 -0.430 -6.253 491 HG21 ILE 64 HG21 ILE 64 -20.499 1.674 -4.257 492 HG22 ILE 64 HG22 ILE 64 -21.097 1.889 -5.903 493 HG23 ILE 64 HG23 ILE 64 -20.165 3.170 -5.131 494 HD11 ILE 64 HD11 ILE 64 -20.445 -0.432 -4.261 495 HD12 ILE 64 HD12 ILE 64 -18.740 -0.373 -3.822 496 HD13 ILE 64 HD13 ILE 64 -19.378 -1.767 -4.693 497 H LEU 65 HN LEU 65 -17.254 3.670 -5.712 498 HA LEU 65 HA LEU 65 -18.910 5.986 -5.973 499 HB2 LEU 65 HB2 LEU 65 -17.498 5.418 -3.973 500 HB3 LEU 65 HB1 LEU 65 -16.085 5.830 -4.923 501 HG LEU 65 HG LEU 65 -16.716 8.129 -5.025 502 HD11 LEU 65 HD11 LEU 65 -19.323 7.240 -3.805 503 HD12 LEU 65 HD12 LEU 65 -19.075 7.976 -5.389 504 HD13 LEU 65 HD13 LEU 65 -18.815 8.926 -3.925 505 HD21 LEU 65 HD21 LEU 65 -17.309 7.189 -2.223 506 HD22 LEU 65 HD22 LEU 65 -16.649 8.750 -2.716 507 HD23 LEU 65 HD23 LEU 65 -15.689 7.285 -2.913 508 H GLY 66 HN GLY 66 -15.864 4.920 -7.385 509 HA2 GLY 66 HA2 GLY 66 -15.274 5.520 -9.620 510 HA3 GLY 66 HA1 GLY 66 -16.191 7.004 -9.428 511 H LYS 67 HN LYS 67 -13.690 5.563 -7.366 512 HA LYS 67 HA LYS 67 -11.791 7.602 -8.125 513 HB2 LYS 67 HB2 LYS 67 -11.416 8.220 -5.678 514 HB3 LYS 67 HB1 LYS 67 -12.832 8.896 -6.466 515 HG2 LYS 67 HG2 LYS 67 -14.294 7.544 -5.279 516 HG3 LYS 67 HG1 LYS 67 -13.036 6.381 -4.861 517 HD2 LYS 67 HD2 LYS 67 -13.722 7.781 -2.942 518 HD3 LYS 67 HD1 LYS 67 -12.017 7.967 -3.345 519 HE2 LYS 67 HE2 LYS 67 -12.737 9.998 -4.720 520 HE3 LYS 67 HE1 LYS 67 -14.287 9.863 -3.890 521 HZ1 LYS 67 HZ1 LYS 67 -12.682 11.426 -2.851 522 HZ2 LYS 67 HZ2 LYS 67 -11.689 10.114 -2.481 523 HZ3 LYS 67 HZ3 LYS 67 -13.235 10.220 -1.809 524 H SER 68 HN SER 68 -9.884 6.686 -8.283 525 HA SER 68 HA SER 68 -9.334 4.301 -6.648 526 HB2 SER 68 HB2 SER 68 -7.652 3.976 -8.729 527 HB3 SER 68 HB1 SER 68 -9.298 3.337 -8.716 528 HG SER 68 HG SER 68 -9.974 5.050 -9.942 529 H GLY 69 HN GLY 69 -8.774 6.966 -5.817 530 HA2 GLY 69 HA2 GLY 69 -6.167 7.850 -6.327 531 HA3 GLY 69 HA1 GLY 69 -7.090 8.198 -4.873 532 H GLU 70 HN GLU 70 -7.291 6.048 -3.460 533 HA GLU 70 HA GLU 70 -4.628 5.505 -2.601 534 HB2 GLU 70 HB2 GLU 70 -7.248 4.251 -1.746 535 HB3 GLU 70 HB1 GLU 70 -5.706 4.027 -0.930 536 HG2 GLU 70 HG2 GLU 70 -6.569 5.665 0.373 537 HG3 GLU 70 HG1 GLU 70 -5.783 6.668 -0.845 538 H LEU 71 HN LEU 71 -6.797 3.991 -4.789 539 HA LEU 71 HA LEU 71 -5.850 1.337 -4.644 540 HB2 LEU 71 HB2 LEU 71 -7.793 2.706 -6.096 541 HB3 LEU 71 HB1 LEU 71 -6.666 2.143 -7.313 542 HG LEU 71 HG LEU 71 -8.344 0.518 -5.425 543 HD11 LEU 71 HD11 LEU 71 -8.882 -0.636 -7.581 544 HD12 LEU 71 HD12 LEU 71 -7.973 0.634 -8.402 545 HD13 LEU 71 HD13 LEU 71 -9.414 1.041 -7.470 546 HD21 LEU 71 HD21 LEU 71 -7.130 -1.479 -6.392 547 HD22 LEU 71 HD22 LEU 71 -6.243 -0.545 -5.190 548 HD23 LEU 71 HD23 LEU 71 -5.872 -0.354 -6.905 549 H LYS 72 HN LYS 72 -4.845 4.139 -6.557 550 HA LYS 72 HA LYS 72 -2.992 2.844 -8.214 551 HB2 LYS 72 HB2 LYS 72 -3.050 5.656 -7.130 552 HB3 LYS 72 HB1 LYS 72 -1.871 5.113 -8.313 553 HG2 LYS 72 HG2 LYS 72 -3.687 4.582 -9.867 554 HG3 LYS 72 HG1 LYS 72 -4.858 5.171 -8.687 555 HD2 LYS 72 HD2 LYS 72 -2.631 6.818 -9.883 556 HD3 LYS 72 HD1 LYS 72 -4.310 6.840 -10.426 557 HE2 LYS 72 HE2 LYS 72 -5.062 7.717 -8.355 558 HE3 LYS 72 HE1 LYS 72 -3.500 7.449 -7.593 559 HZ1 LYS 72 HZ1 LYS 72 -2.530 9.139 -8.921 560 HZ2 LYS 72 HZ2 LYS 72 -3.931 9.782 -8.227 561 HZ3 LYS 72 HZ3 LYS 72 -3.931 9.316 -9.851 562 H THR 73 HN THR 73 -2.585 4.390 -5.054 563 HA THR 73 HA THR 73 0.167 3.887 -4.788 564 HB THR 73 HB THR 73 -1.783 4.074 -2.494 565 HG1 THR 73 HG1 THR 73 -0.644 6.252 -3.965 566 HG21 THR 73 HG21 THR 73 0.514 3.601 -1.861 567 HG22 THR 73 HG22 THR 73 0.107 5.262 -1.420 568 HG23 THR 73 HG23 THR 73 1.088 4.944 -2.850 569 H TRP 74 HN TRP 74 -2.709 2.065 -3.816 570 HA TRP 74 HA TRP 74 -1.435 0.032 -2.381 571 HB2 TRP 74 HB2 TRP 74 -3.841 0.315 -2.262 572 HB3 TRP 74 HB1 TRP 74 -4.003 -0.038 -3.978 573 HD1 TRP 74 HD1 TRP 74 -4.855 -2.412 -4.399 574 HE1 TRP 74 HE1 TRP 74 -4.670 -4.691 -3.210 575 HE3 TRP 74 HE3 TRP 74 -1.927 -1.025 -0.443 576 HZ2 TRP 74 HZ2 TRP 74 -3.439 -5.754 -0.903 577 HZ3 TRP 74 HZ3 TRP 74 -1.289 -2.732 1.203 578 HH2 TRP 74 HH2 TRP 74 -2.029 -5.047 0.981 579 H GLY 75 HN GLY 75 -2.342 0.191 -5.814 580 HA2 GLY 75 HA2 GLY 75 -1.495 -2.350 -6.583 581 HA3 GLY 75 HA1 GLY 75 -1.539 -0.947 -7.640 582 H LEU 76 HN LEU 76 0.372 0.587 -6.122 583 HA LEU 76 HA LEU 76 2.772 -0.428 -7.286 584 HB2 LEU 76 HB2 LEU 76 2.124 1.922 -5.530 585 HB3 LEU 76 HB1 LEU 76 3.780 1.534 -5.957 586 HG LEU 76 HG LEU 76 1.651 1.990 -8.035 587 HD11 LEU 76 HD11 LEU 76 2.444 4.264 -8.239 588 HD12 LEU 76 HD12 LEU 76 3.574 4.020 -6.908 589 HD13 LEU 76 HD13 LEU 76 1.836 3.982 -6.610 590 HD21 LEU 76 HD21 LEU 76 3.656 2.510 -9.423 591 HD22 LEU 76 HD22 LEU 76 3.571 0.837 -8.876 592 HD23 LEU 76 HD23 LEU 76 4.663 1.970 -8.081 593 H VAL 77 HN VAL 77 1.653 0.022 -3.955 594 HA VAL 77 HA VAL 77 3.952 -1.026 -2.699 595 HB VAL 77 HB VAL 77 1.108 -0.908 -1.667 596 HG11 VAL 77 HG11 VAL 77 3.711 -1.284 -0.189 597 HG12 VAL 77 HG12 VAL 77 2.416 -2.470 -0.354 598 HG13 VAL 77 HG13 VAL 77 2.147 -0.993 0.572 599 HG21 VAL 77 HG21 VAL 77 1.862 1.143 -0.529 600 HG22 VAL 77 HG22 VAL 77 1.937 1.283 -2.285 601 HG23 VAL 77 HG23 VAL 77 3.415 1.015 -1.359 602 H LEU 78 HN LEU 78 0.868 -2.510 -3.623 603 HA LEU 78 HA LEU 78 1.288 -5.053 -2.545 604 HB2 LEU 78 HB2 LEU 78 -0.870 -4.284 -3.359 605 HB3 LEU 78 HB1 LEU 78 -0.259 -4.226 -5.001 606 HG LEU 78 HG LEU 78 0.071 -6.710 -4.889 607 HD11 LEU 78 HD11 LEU 78 -1.461 -6.404 -2.311 608 HD12 LEU 78 HD12 LEU 78 0.192 -6.991 -2.491 609 HD13 LEU 78 HD13 LEU 78 -1.152 -7.930 -3.139 610 HD21 LEU 78 HD21 LEU 78 -2.298 -7.237 -5.173 611 HD22 LEU 78 HD22 LEU 78 -1.869 -5.730 -5.983 612 HD23 LEU 78 HD23 LEU 78 -2.730 -5.692 -4.444 613 H GLY 79 HN GLY 79 2.061 -3.785 -5.758 614 HA2 GLY 79 HA2 GLY 79 3.065 -6.169 -6.854 615 HA3 GLY 79 HA1 GLY 79 3.455 -4.547 -7.405 616 H ALA 80 HN ALA 80 4.648 -3.616 -4.999 617 HA ALA 80 HA ALA 80 7.291 -4.609 -5.350 618 HB1 ALA 80 HB1 ALA 80 6.224 -2.799 -3.187 619 HB2 ALA 80 HB2 ALA 80 6.790 -2.265 -4.770 620 HB3 ALA 80 HB3 ALA 80 7.916 -3.012 -3.635 621 H LEU 81 HN LEU 81 4.804 -5.034 -2.885 622 HA LEU 81 HA LEU 81 6.444 -6.489 -1.077 623 HB2 LEU 81 HB2 LEU 81 3.485 -6.146 -1.391 624 HB3 LEU 81 HB1 LEU 81 4.133 -7.281 -0.225 625 HG LEU 81 HG LEU 81 4.825 -4.347 -0.252 626 HD11 LEU 81 HD11 LEU 81 3.270 -4.100 1.599 627 HD12 LEU 81 HD12 LEU 81 2.800 -5.794 1.449 628 HD13 LEU 81 HD13 LEU 81 2.426 -4.658 0.153 629 HD21 LEU 81 HD21 LEU 81 6.495 -5.636 0.868 630 HD22 LEU 81 HD22 LEU 81 5.276 -6.564 1.739 631 HD23 LEU 81 HD23 LEU 81 5.506 -4.853 2.102 632 H LYS 82 HN LYS 82 4.084 -7.478 -3.541 633 HA LYS 82 HA LYS 82 4.184 -10.231 -3.103 634 HB2 LYS 82 HB2 LYS 82 3.498 -8.521 -5.453 635 HB3 LYS 82 HB1 LYS 82 3.657 -10.254 -5.686 636 HG2 LYS 82 HG2 LYS 82 1.969 -10.600 -3.908 637 HG3 LYS 82 HG1 LYS 82 1.759 -8.850 -3.819 638 HD2 LYS 82 HD2 LYS 82 0.699 -8.734 -5.846 639 HD3 LYS 82 HD1 LYS 82 1.530 -10.153 -6.484 640 HE2 LYS 82 HE2 LYS 82 -0.611 -10.238 -4.364 641 HE3 LYS 82 HE1 LYS 82 -0.888 -10.519 -6.079 642 HZ1 LYS 82 HZ1 LYS 82 0.747 -12.155 -4.231 643 HZ2 LYS 82 HZ2 LYS 82 0.799 -12.337 -5.909 644 HZ3 LYS 82 HZ3 LYS 82 -0.642 -12.621 -5.074 645 H ALA 83 HN ALA 83 6.065 -8.283 -5.403 646 HA ALA 83 HA ALA 83 7.537 -10.359 -6.534 647 HB1 ALA 83 HB1 ALA 83 8.456 -7.522 -6.122 648 HB2 ALA 83 HB2 ALA 83 7.403 -8.067 -7.429 649 HB3 ALA 83 HB3 ALA 83 9.057 -8.670 -7.318 650 H ALA 84 HN ALA 84 8.119 -8.536 -3.576 651 HA ALA 84 HA ALA 84 10.744 -9.621 -3.166 652 HB1 ALA 84 HB1 ALA 84 8.923 -8.167 -1.251 653 HB2 ALA 84 HB2 ALA 84 10.139 -7.425 -2.289 654 HB3 ALA 84 HB3 ALA 84 10.636 -8.510 -0.991 655 H ARG 85 HN ARG 85 7.493 -10.399 -2.130 656 HA ARG 85 HA ARG 85 8.277 -12.282 -0.123 657 HB2 ARG 85 HB2 ARG 85 5.812 -11.180 -1.197 658 HB3 ARG 85 HB1 ARG 85 5.673 -12.905 -0.891 659 HG2 ARG 85 HG2 ARG 85 6.972 -11.532 1.297 660 HG3 ARG 85 HG1 ARG 85 5.375 -10.864 0.948 661 HD2 ARG 85 HD2 ARG 85 4.342 -12.993 1.207 662 HD3 ARG 85 HD1 ARG 85 5.902 -13.812 1.263 663 HE ARG 85 HE ARG 85 5.624 -11.893 3.362 664 HH11 ARG 85 HH11 ARG 85 4.556 -15.715 3.992 665 HH12 ARG 85 HH12 ARG 85 4.745 -15.128 2.370 666 HH21 ARG 85 HH21 ARG 85 4.921 -14.314 5.775 667 HH22 ARG 85 HH22 ARG 85 5.393 -12.666 5.508 668 H GLU 86 HN GLU 86 7.826 -12.436 -3.542 669 HA GLU 86 HA GLU 86 7.466 -15.298 -3.598 670 HB2 GLU 86 HB2 GLU 86 7.854 -13.235 -5.759 671 HB3 GLU 86 HB1 GLU 86 7.687 -14.957 -6.089 672 HG2 GLU 86 HG2 GLU 86 5.483 -14.930 -5.001 673 HG3 GLU 86 HG1 GLU 86 5.651 -13.193 -4.737 674 H GLU 87 HN GLU 87 10.110 -13.368 -3.098 675 HA GLU 87 HA GLU 87 11.888 -15.438 -4.190 676 HB2 GLU 87 HB2 GLU 87 11.917 -13.096 -5.313 677 HB3 GLU 87 HB1 GLU 87 12.764 -12.585 -3.859 678 HG2 GLU 87 HG2 GLU 87 14.303 -14.628 -4.399 679 HG3 GLU 87 HG1 GLU 87 13.647 -14.426 -6.023 680 H1 FGV 101 H1 IP3 1 12.510 10.930 -1.169 681 H2 FGV 101 H2 IP3 1 13.418 9.674 0.739 682 H3 FGV 101 H3 IP3 1 12.270 11.792 1.218 683 H4 FGV 101 H4 IP3 1 9.762 10.086 1.592 684 H5 FGV 101 H5 IP3 1 10.425 12.229 -0.490 685 H6 FGV 101 H6 IP3 1 10.004 9.222 -0.829 686 H11 FGV 101 H11 IP3 1 15.622 7.992 -3.322 687 H12 FGV 101 H12 IP3 1 11.528 8.091 0.136 688 H14 FGV 101 H14 IP3 1 9.338 12.688 1.410 689 H16 FGV 101 H16 IP3 1 9.707 11.271 -2.414
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