NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14581 | 1wyr | 11129 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -25.855 1.332 -9.480 2 HA2 GLY 1 1HA GLY 1 -23.694 2.322 -10.630 3 HA3 GLY 1 2HA GLY 1 -24.079 3.652 -9.548 4 H SER 2 H SER 2 -21.764 2.911 -8.953 5 HA SER 2 HA SER 2 -20.318 1.707 -7.614 6 HB2 SER 2 1HB SER 2 -22.620 2.389 -5.772 7 HB3 SER 2 2HB SER 2 -21.045 1.826 -5.212 8 HG SER 2 HG SER 2 -21.798 4.299 -5.998 9 H SER 3 H SER 3 -21.523 -0.144 -9.132 10 HA SER 3 HA SER 3 -22.430 -2.243 -7.282 11 HB2 SER 3 1HB SER 3 -22.822 -1.871 -10.252 12 HB3 SER 3 2HB SER 3 -23.174 -3.393 -9.435 13 HG SER 3 HG SER 3 -25.023 -2.523 -8.979 14 H GLY 4 H GLY 4 -20.719 -3.370 -6.582 15 HA2 GLY 4 1HA GLY 4 -19.300 -5.265 -7.156 16 HA3 GLY 4 2HA GLY 4 -18.864 -4.412 -8.629 17 H SER 5 H SER 5 -17.849 -5.212 -5.580 18 HA SER 5 HA SER 5 -16.478 -2.885 -4.761 19 HB2 SER 5 1HB SER 5 -16.165 -5.809 -4.116 20 HB3 SER 5 2HB SER 5 -15.053 -4.607 -3.462 21 HG SER 5 HG SER 5 -16.523 -4.332 -1.994 22 H SER 6 H SER 6 -15.340 -1.986 -6.458 23 HA SER 6 HA SER 6 -13.684 -3.290 -8.262 24 HB2 SER 6 1HB SER 6 -13.856 -0.497 -7.225 25 HB3 SER 6 2HB SER 6 -12.427 -0.947 -8.155 26 HG SER 6 HG SER 6 -14.054 -1.796 -9.726 27 H GLY 7 H GLY 7 -12.716 -1.637 -5.249 28 HA2 GLY 7 1HA GLY 7 -11.139 -3.309 -3.985 29 HA3 GLY 7 2HA GLY 7 -10.123 -2.994 -5.383 30 H GLU 8 H GLU 8 -10.515 -0.302 -5.775 31 HA GLU 8 HA GLU 8 -8.659 0.941 -4.268 32 HB2 GLU 8 1HB GLU 8 -11.210 2.227 -5.259 33 HB3 GLU 8 2HB GLU 8 -9.746 3.086 -4.802 34 HG2 GLU 8 1HG GLU 8 -9.540 3.014 -7.079 35 HG3 GLU 8 2HG GLU 8 -8.625 1.584 -6.604 36 H GLU 9 H GLU 9 -12.147 1.214 -3.555 37 HA GLU 9 HA GLU 9 -11.885 2.524 -1.111 38 HB2 GLU 9 1HB GLU 9 -13.997 2.106 -2.503 39 HB3 GLU 9 2HB GLU 9 -14.078 0.545 -1.699 40 HG2 GLU 9 1HG GLU 9 -14.539 1.477 0.361 41 HG3 GLU 9 2HG GLU 9 -13.864 3.044 -0.083 42 H GLN 10 H GLN 10 -12.076 -0.949 -1.809 43 HA GLN 10 HA GLN 10 -12.147 -1.936 0.774 44 HB2 GLN 10 1HB GLN 10 -11.074 -2.992 -1.808 45 HB3 GLN 10 2HB GLN 10 -10.751 -3.879 -0.325 46 HG2 GLN 10 1HG GLN 10 -13.314 -3.682 0.039 47 HG3 GLN 10 2HG GLN 10 -13.350 -3.367 -1.695 48 HE21 GLN 10 1HE2 GLN 10 -12.986 -5.010 -3.111 49 HE22 GLN 10 2HE2 GLN 10 -12.802 -6.661 -2.635 50 H ILE 11 H ILE 11 -9.357 -0.930 -1.148 51 HA ILE 11 HA ILE 11 -7.425 -1.714 0.803 52 HB ILE 11 HB ILE 11 -7.042 0.320 -1.392 53 HG12 ILE 11 1HG1 ILE 11 -8.012 -1.988 -2.066 54 HG13 ILE 11 2HG1 ILE 11 -6.601 -1.386 -2.929 55 HG21 ILE 11 1HG2 ILE 11 -4.692 -0.643 -1.283 56 HG22 ILE 11 2HG2 ILE 11 -5.200 0.371 0.067 57 HG23 ILE 11 3HG2 ILE 11 -5.182 -1.384 0.240 58 HD11 ILE 11 1HD1 ILE 11 -6.253 -3.687 -2.467 59 HD12 ILE 11 2HD1 ILE 11 -5.189 -2.767 -1.403 60 HD13 ILE 11 3HD1 ILE 11 -6.676 -3.472 -0.769 61 H VAL 12 H VAL 12 -8.919 1.374 -0.103 62 HA VAL 12 HA VAL 12 -7.489 3.086 1.536 63 HB VAL 12 HB VAL 12 -10.435 3.255 0.885 64 HG11 VAL 12 1HG1 VAL 12 -9.276 4.726 2.749 65 HG12 VAL 12 2HG1 VAL 12 -8.728 5.645 1.346 66 HG13 VAL 12 3HG1 VAL 12 -10.453 5.413 1.631 67 HG21 VAL 12 1HG2 VAL 12 -9.898 3.854 -1.191 68 HG22 VAL 12 2HG2 VAL 12 -8.671 4.985 -0.619 69 HG23 VAL 12 3HG2 VAL 12 -8.263 3.285 -0.850 70 H THR 13 H THR 13 -10.351 1.145 2.312 71 HA THR 13 HA THR 13 -10.416 2.080 5.042 72 HB THR 13 HB THR 13 -11.955 -0.196 3.777 73 HG1 THR 13 1HG THR 13 -13.398 1.279 3.170 74 HG21 THR 13 1HG2 THR 13 -11.684 0.558 6.469 75 HG22 THR 13 2HG2 THR 13 -12.866 -0.556 5.779 76 HG23 THR 13 3HG2 THR 13 -13.262 1.154 5.955 77 H TRP 14 H TRP 14 -9.196 -0.686 3.286 78 HA TRP 14 HA TRP 14 -8.815 -2.444 5.442 79 HB2 TRP 14 1HB TRP 14 -8.661 -3.238 3.162 80 HB3 TRP 14 2HB TRP 14 -7.296 -2.172 2.841 81 HD1 TRP 14 HD TRP 14 -7.737 -4.580 5.846 82 HE1 TRP 14 1HE TRP 14 -5.736 -6.198 5.865 83 HE3 TRP 14 3HE TRP 14 -5.425 -3.060 1.548 84 HZ2 TRP 14 2HZ TRP 14 -3.476 -6.756 4.269 85 HZ3 TRP 14 3HZ TRP 14 -3.347 -4.188 0.864 86 HH2 TRP 14 HH TRP 14 -2.394 -5.997 2.198 87 H LEU 15 H LEU 15 -6.465 -0.265 3.872 88 HA LEU 15 HA LEU 15 -4.320 -0.713 5.564 89 HB2 LEU 15 1HB LEU 15 -5.061 1.919 4.299 90 HB3 LEU 15 2HB LEU 15 -3.457 1.423 4.835 91 HG LEU 15 HG LEU 15 -4.955 0.031 2.624 92 HD11 LEU 15 1HD1 LEU 15 -3.515 1.299 1.080 93 HD12 LEU 15 2HD1 LEU 15 -2.949 2.273 2.436 94 HD13 LEU 15 3HD1 LEU 15 -4.645 2.332 1.957 95 HD21 LEU 15 1HD2 LEU 15 -3.007 -1.046 3.931 96 HD22 LEU 15 2HD2 LEU 15 -1.993 0.105 3.060 97 HD23 LEU 15 3HD2 LEU 15 -2.962 -1.069 2.168 98 H ILE 16 H ILE 16 -6.744 1.891 5.809 99 HA ILE 16 HA ILE 16 -5.864 3.055 8.158 100 HB ILE 16 HB ILE 16 -8.734 2.731 7.272 101 HG12 ILE 16 1HG1 ILE 16 -6.856 5.052 6.800 102 HG13 ILE 16 2HG1 ILE 16 -7.154 3.786 5.614 103 HG21 ILE 16 1HG2 ILE 16 -9.187 4.690 8.638 104 HG22 ILE 16 2HG2 ILE 16 -8.513 3.392 9.622 105 HG23 ILE 16 3HG2 ILE 16 -7.497 4.750 9.139 106 HD11 ILE 16 1HD1 ILE 16 -9.322 5.511 6.774 107 HD12 ILE 16 2HD1 ILE 16 -8.458 5.887 5.283 108 HD13 ILE 16 3HD1 ILE 16 -9.429 4.419 5.393 109 H SER 17 H SER 17 -8.455 0.615 7.869 110 HA SER 17 HA SER 17 -9.063 0.169 10.470 111 HB2 SER 17 1HB SER 17 -9.839 -1.983 9.864 112 HB3 SER 17 2HB SER 17 -9.962 -1.026 8.388 113 HG SER 17 HG SER 17 -7.897 -2.851 9.068 114 H LEU 18 H LEU 18 -6.235 -1.075 8.758 115 HA LEU 18 HA LEU 18 -5.278 -2.684 10.889 116 HB2 LEU 18 1HB LEU 18 -3.976 -1.516 8.447 117 HB3 LEU 18 2HB LEU 18 -3.083 -2.493 9.611 118 HG LEU 18 HG LEU 18 -5.523 -3.491 8.154 119 HD11 LEU 18 1HD1 LEU 18 -2.755 -4.287 7.393 120 HD12 LEU 18 2HD1 LEU 18 -3.429 -2.789 6.750 121 HD13 LEU 18 3HD1 LEU 18 -4.242 -4.324 6.445 122 HD21 LEU 18 1HD2 LEU 18 -4.895 -4.634 10.250 123 HD22 LEU 18 2HD2 LEU 18 -3.296 -4.947 9.575 124 HD23 LEU 18 3HD2 LEU 18 -4.724 -5.668 8.831 125 H GLY 19 H GLY 19 -4.483 0.601 9.793 126 HA2 GLY 19 1HA GLY 19 -4.138 2.260 11.589 127 HA3 GLY 19 2HA GLY 19 -3.183 1.035 12.412 128 H VAL 20 H VAL 20 -3.047 1.690 8.962 129 HA VAL 20 HA VAL 20 -0.296 2.683 9.338 130 HB VAL 20 HB VAL 20 0.241 1.769 7.125 131 HG11 VAL 20 1HG1 VAL 20 -0.552 -0.745 7.970 132 HG12 VAL 20 2HG1 VAL 20 0.942 0.086 8.407 133 HG13 VAL 20 3HG1 VAL 20 -0.471 0.199 9.457 134 HG21 VAL 20 1HG2 VAL 20 -1.839 1.838 5.992 135 HG22 VAL 20 2HG2 VAL 20 -1.402 0.134 6.122 136 HG23 VAL 20 3HG2 VAL 20 -2.614 0.819 7.205 137 H LEU 21 H LEU 21 -3.377 3.183 7.826 138 HA LEU 21 HA LEU 21 -2.336 5.603 6.507 139 HB2 LEU 21 1HB LEU 21 -3.275 3.968 4.957 140 HB3 LEU 21 2HB LEU 21 -4.791 3.977 5.856 141 HG LEU 21 HG LEU 21 -5.028 6.401 5.240 142 HD11 LEU 21 1HD1 LEU 21 -2.413 5.865 4.098 143 HD12 LEU 21 2HD1 LEU 21 -3.203 7.401 4.448 144 HD13 LEU 21 3HD1 LEU 21 -3.533 6.567 2.930 145 HD21 LEU 21 1HD2 LEU 21 -6.128 5.887 3.297 146 HD22 LEU 21 2HD2 LEU 21 -5.947 4.279 3.997 147 HD23 LEU 21 3HD2 LEU 21 -4.849 4.816 2.724 148 H GLU 22 H GLU 22 -3.685 7.498 6.535 149 HA GLU 22 HA GLU 22 -4.794 8.015 9.097 150 HB2 GLU 22 1HB GLU 22 -4.434 9.545 6.572 151 HB3 GLU 22 2HB GLU 22 -5.633 10.140 7.712 152 HG2 GLU 22 1HG GLU 22 -3.695 9.876 9.441 153 HG3 GLU 22 2HG GLU 22 -2.677 9.941 8.003 154 H SER 23 H SER 23 -6.952 8.608 9.622 155 HA SER 23 HA SER 23 -8.952 7.304 7.898 156 HB2 SER 23 1HB SER 23 -10.286 6.960 9.918 157 HB3 SER 23 2HB SER 23 -8.673 6.283 10.135 158 HG SER 23 HG SER 23 -9.228 8.917 10.954 159 HA PRO 24 HA PRO 24 -9.942 11.803 7.666 160 HB2 PRO 24 1HB PRO 24 -10.703 11.718 5.061 161 HB3 PRO 24 2HB PRO 24 -9.020 11.919 5.564 162 HG2 PRO 24 1HG PRO 24 -10.443 9.446 4.660 163 HG3 PRO 24 2HG PRO 24 -8.821 10.022 4.235 164 HD2 PRO 24 1HD PRO 24 -9.242 8.088 6.082 165 HD3 PRO 24 2HD PRO 24 -7.892 9.235 6.191 166 H LYS 25 H LYS 25 -11.833 12.224 8.611 167 HA LYS 25 HA LYS 25 -14.086 10.605 8.637 168 HB2 LYS 25 1HB LYS 25 -13.439 12.714 10.054 169 HB3 LYS 25 2HB LYS 25 -14.367 13.580 8.837 170 HG2 LYS 25 1HG LYS 25 -15.911 13.174 10.517 171 HG3 LYS 25 2HG LYS 25 -16.232 11.892 9.347 172 HD2 LYS 25 1HD LYS 25 -14.557 10.518 10.779 173 HD3 LYS 25 2HD LYS 25 -14.893 11.727 12.021 174 HE2 LYS 25 1HE LYS 25 -16.353 9.813 12.299 175 HE3 LYS 25 2HE LYS 25 -17.292 11.230 11.831 176 HZ1 LYS 25 1HZ LYS 25 -16.345 9.326 9.789 177 HZ2 LYS 25 2HZ LYS 25 -17.653 10.396 9.721 178 HZ3 LYS 25 3HZ LYS 25 -17.751 9.000 10.672 179 H LYS 26 H LYS 26 -13.161 13.141 6.389 180 HA LYS 26 HA LYS 26 -15.655 13.292 5.035 181 HB2 LYS 26 1HB LYS 26 -13.924 15.071 4.961 182 HB3 LYS 26 2HB LYS 26 -12.901 14.004 4.009 183 HG2 LYS 26 1HG LYS 26 -14.504 14.004 2.207 184 HG3 LYS 26 2HG LYS 26 -15.629 14.965 3.170 185 HD2 LYS 26 1HD LYS 26 -12.866 15.981 2.634 186 HD3 LYS 26 2HD LYS 26 -14.119 16.133 1.400 187 HE2 LYS 26 1HE LYS 26 -14.444 17.097 4.235 188 HE3 LYS 26 2HE LYS 26 -13.854 18.117 2.923 189 HZ1 LYS 26 1HZ LYS 26 -16.015 18.591 2.674 190 HZ2 LYS 26 2HZ LYS 26 -16.540 17.203 3.486 191 HZ3 LYS 26 3HZ LYS 26 -16.093 17.111 1.857 192 H THR 27 H THR 27 -16.308 12.373 3.096 193 HA THR 27 HA THR 27 -15.207 9.760 2.555 194 HB THR 27 HB THR 27 -17.319 10.926 0.806 195 HG1 THR 27 1HG THR 27 -18.750 11.093 2.377 196 HG21 THR 27 1HG2 THR 27 -16.946 8.251 2.158 197 HG22 THR 27 2HG2 THR 27 -16.594 8.627 0.472 198 HG23 THR 27 3HG2 THR 27 -18.258 8.661 1.055 199 H ILE 28 H ILE 28 -14.143 9.094 0.739 200 HA ILE 28 HA ILE 28 -13.116 11.225 -0.995 201 HB ILE 28 HB ILE 28 -12.103 8.399 -0.659 202 HG12 ILE 28 1HG1 ILE 28 -10.628 10.827 0.276 203 HG13 ILE 28 2HG1 ILE 28 -11.933 10.193 1.273 204 HG21 ILE 28 1HG2 ILE 28 -11.127 8.846 -2.625 205 HG22 ILE 28 2HG2 ILE 28 -11.454 10.574 -2.504 206 HG23 ILE 28 3HG2 ILE 28 -10.055 9.881 -1.684 207 HD11 ILE 28 1HD1 ILE 28 -9.963 9.225 2.095 208 HD12 ILE 28 2HD1 ILE 28 -10.746 7.961 1.145 209 HD13 ILE 28 3HD1 ILE 28 -9.376 8.846 0.476 210 H CYS 29 H CYS 29 -14.336 11.504 -2.753 211 HA CYS 29 HA CYS 29 -15.947 9.490 -3.923 212 HB2 CYS 29 1HB CYS 29 -16.101 12.104 -4.062 213 HB3 CYS 29 2HB CYS 29 -15.050 11.901 -5.458 214 HG CYS 29 HG CYS 29 -16.812 10.897 -7.112 215 H ASP 30 H ASP 30 -12.827 10.907 -4.843 216 HA ASP 30 HA ASP 30 -12.506 8.756 -6.827 217 HB2 ASP 30 1HB ASP 30 -10.765 11.201 -6.709 218 HB3 ASP 30 2HB ASP 30 -11.112 10.154 -8.083 219 HA PRO 31 HA PRO 31 -9.663 7.592 -3.387 220 HB2 PRO 31 1HB PRO 31 -10.080 4.923 -3.659 221 HB3 PRO 31 2HB PRO 31 -11.130 5.966 -2.694 222 HG2 PRO 31 1HG PRO 31 -11.520 4.944 -5.480 223 HG3 PRO 31 2HG PRO 31 -12.694 5.059 -4.156 224 HD2 PRO 31 1HD PRO 31 -12.586 6.868 -6.168 225 HD3 PRO 31 2HD PRO 31 -13.070 7.304 -4.516 226 H GLU 32 H GLU 32 -9.929 6.816 -6.742 227 HA GLU 32 HA GLU 32 -7.716 5.163 -7.118 228 HB2 GLU 32 1HB GLU 32 -9.297 5.527 -8.901 229 HB3 GLU 32 2HB GLU 32 -8.924 7.245 -8.941 230 HG2 GLU 32 1HG GLU 32 -6.538 6.513 -9.521 231 HG3 GLU 32 2HG GLU 32 -7.256 4.941 -9.871 232 H GLU 33 H GLU 33 -7.927 8.709 -7.170 233 HA GLU 33 HA GLU 33 -5.114 9.042 -7.611 234 HB2 GLU 33 1HB GLU 33 -7.434 10.847 -7.120 235 HB3 GLU 33 2HB GLU 33 -5.822 11.476 -6.810 236 HG2 GLU 33 1HG GLU 33 -6.604 10.204 -9.414 237 HG3 GLU 33 2HG GLU 33 -6.772 11.929 -9.094 238 H PHE 34 H PHE 34 -7.278 9.513 -4.830 239 HA PHE 34 HA PHE 34 -5.457 10.421 -2.970 240 HB2 PHE 34 1HB PHE 34 -7.780 10.372 -2.406 241 HB3 PHE 34 2HB PHE 34 -7.860 8.627 -2.622 242 HD1 PHE 34 1HD PHE 34 -6.710 7.138 -0.986 243 HD2 PHE 34 2HD PHE 34 -7.135 11.325 -0.352 244 HE1 PHE 34 1HE PHE 34 -6.244 6.819 1.408 245 HE2 PHE 34 2HE PHE 34 -6.669 11.013 2.043 246 HZ PHE 34 HZ PHE 34 -6.222 8.758 2.926 247 H LEU 35 H LEU 35 -6.052 7.125 -4.048 248 HA LEU 35 HA LEU 35 -4.387 5.886 -2.093 249 HB2 LEU 35 1HB LEU 35 -5.686 5.019 -4.637 250 HB3 LEU 35 2HB LEU 35 -4.453 3.996 -3.901 251 HG LEU 35 HG LEU 35 -6.857 4.911 -2.351 252 HD11 LEU 35 1HD1 LEU 35 -6.687 2.346 -3.914 253 HD12 LEU 35 2HD1 LEU 35 -7.547 3.777 -4.480 254 HD13 LEU 35 3HD1 LEU 35 -8.059 2.969 -2.998 255 HD21 LEU 35 1HD2 LEU 35 -6.206 3.412 -0.784 256 HD22 LEU 35 2HD2 LEU 35 -4.622 3.714 -1.498 257 HD23 LEU 35 3HD2 LEU 35 -5.546 2.288 -1.972 258 H LYS 36 H LYS 36 -3.933 6.214 -5.618 259 HA LYS 36 HA LYS 36 -1.346 5.402 -5.852 260 HB2 LYS 36 1HB LYS 36 -2.724 7.680 -7.279 261 HB3 LYS 36 2HB LYS 36 -1.159 7.038 -7.761 262 HG2 LYS 36 1HG LYS 36 -2.046 5.113 -8.593 263 HG3 LYS 36 2HG LYS 36 -3.413 5.129 -7.477 264 HD2 LYS 36 1HD LYS 36 -4.364 5.610 -9.561 265 HD3 LYS 36 2HD LYS 36 -4.209 7.187 -8.781 266 HE2 LYS 36 1HE LYS 36 -2.067 6.120 -10.590 267 HE3 LYS 36 2HE LYS 36 -3.477 6.957 -11.237 268 HZ1 LYS 36 1HZ LYS 36 -1.154 8.057 -10.092 269 HZ2 LYS 36 2HZ LYS 36 -2.485 8.502 -9.148 270 HZ3 LYS 36 3HZ LYS 36 -2.463 8.860 -10.802 271 H SER 37 H SER 37 -2.432 8.666 -4.971 272 HA SER 37 HA SER 37 0.177 9.752 -4.721 273 HB2 SER 37 1HB SER 37 -2.574 10.616 -3.938 274 HB3 SER 37 2HB SER 37 -1.197 11.449 -3.216 275 HG SER 37 HG SER 37 -0.507 11.475 -5.614 276 H SER 38 H SER 38 -2.043 8.207 -2.469 277 HA SER 38 HA SER 38 -0.647 8.806 -0.095 278 HB2 SER 38 1HB SER 38 -2.704 6.792 -0.893 279 HB3 SER 38 2HB SER 38 -1.853 6.559 0.633 280 HG SER 38 HG SER 38 -3.791 7.809 0.833 281 H LEU 39 H LEU 39 -0.623 5.867 -2.109 282 HA LEU 39 HA LEU 39 1.468 4.627 -0.623 283 HB2 LEU 39 1HB LEU 39 0.701 3.978 -3.455 284 HB3 LEU 39 2HB LEU 39 1.407 2.909 -2.244 285 HG LEU 39 HG LEU 39 -1.342 4.065 -1.899 286 HD11 LEU 39 1HD1 LEU 39 -0.453 1.886 -3.697 287 HD12 LEU 39 2HD1 LEU 39 -1.826 2.984 -3.833 288 HD13 LEU 39 3HD1 LEU 39 -1.907 1.605 -2.738 289 HD21 LEU 39 1HD2 LEU 39 -0.990 3.061 0.073 290 HD22 LEU 39 2HD2 LEU 39 0.370 2.118 -0.536 291 HD23 LEU 39 3HD2 LEU 39 -1.282 1.565 -0.815 292 H LYS 40 H LYS 40 1.358 6.858 -3.266 293 HA LYS 40 HA LYS 40 3.581 6.582 -4.716 294 HB2 LYS 40 1HB LYS 40 2.015 8.570 -4.681 295 HB3 LYS 40 2HB LYS 40 2.972 9.204 -3.349 296 HG2 LYS 40 1HG LYS 40 4.950 8.805 -5.059 297 HG3 LYS 40 2HG LYS 40 3.640 8.973 -6.229 298 HD2 LYS 40 1HD LYS 40 4.342 11.158 -6.005 299 HD3 LYS 40 2HD LYS 40 3.034 11.086 -4.822 300 HE2 LYS 40 1HE LYS 40 4.692 12.095 -3.590 301 HE3 LYS 40 2HE LYS 40 4.953 10.400 -3.184 302 HZ1 LYS 40 1HZ LYS 40 6.392 11.561 -5.465 303 HZ2 LYS 40 2HZ LYS 40 6.847 10.295 -4.441 304 HZ3 LYS 40 3HZ LYS 40 6.936 11.895 -3.899 305 H ASN 41 H ASN 41 3.817 8.571 -1.770 306 HA ASN 41 HA ASN 41 6.468 8.797 -1.471 307 HB2 ASN 41 1HB ASN 41 4.285 8.420 0.525 308 HB3 ASN 41 2HB ASN 41 5.947 8.376 1.104 309 HD21 ASN 41 1HD2 ASN 41 5.871 10.263 2.233 310 HD22 ASN 41 2HD2 ASN 41 5.704 11.814 1.488 311 H GLY 42 H GLY 42 4.646 5.994 -0.221 312 HA2 GLY 42 1HA GLY 42 5.497 3.755 -0.628 313 HA3 GLY 42 2HA GLY 42 7.121 4.411 -0.497 314 H VAL 43 H VAL 43 6.329 6.059 1.850 315 HA VAL 43 HA VAL 43 7.135 4.310 3.881 316 HB VAL 43 HB VAL 43 7.372 6.763 4.017 317 HG11 VAL 43 1HG1 VAL 43 5.643 8.110 3.671 318 HG12 VAL 43 2HG1 VAL 43 4.581 6.708 3.517 319 HG13 VAL 43 3HG1 VAL 43 4.836 7.455 5.095 320 HG21 VAL 43 1HG2 VAL 43 7.707 5.776 6.078 321 HG22 VAL 43 2HG2 VAL 43 6.423 6.931 6.437 322 HG23 VAL 43 3HG2 VAL 43 6.036 5.226 6.205 323 H VAL 44 H VAL 44 3.971 5.115 2.658 324 HA VAL 44 HA VAL 44 2.461 4.140 4.856 325 HB VAL 44 HB VAL 44 1.780 4.666 1.974 326 HG11 VAL 44 1HG1 VAL 44 0.178 3.098 2.200 327 HG12 VAL 44 2HG1 VAL 44 0.270 3.105 3.962 328 HG13 VAL 44 3HG1 VAL 44 -0.645 4.357 3.120 329 HG21 VAL 44 1HG2 VAL 44 0.417 5.950 4.275 330 HG22 VAL 44 2HG2 VAL 44 2.090 6.409 3.958 331 HG23 VAL 44 3HG2 VAL 44 0.866 6.620 2.706 332 H LEU 45 H LEU 45 3.822 2.653 1.988 333 HA LEU 45 HA LEU 45 2.411 0.176 2.289 334 HB2 LEU 45 1HB LEU 45 4.758 1.043 0.628 335 HB3 LEU 45 2HB LEU 45 4.188 -0.624 0.643 336 HG LEU 45 HG LEU 45 2.369 1.657 -0.074 337 HD11 LEU 45 1HD1 LEU 45 2.897 1.354 -2.385 338 HD12 LEU 45 2HD1 LEU 45 4.014 0.041 -2.012 339 HD13 LEU 45 3HD1 LEU 45 4.397 1.691 -1.520 340 HD21 LEU 45 1HD2 LEU 45 1.806 -0.923 0.454 341 HD22 LEU 45 2HD2 LEU 45 2.139 -1.026 -1.275 342 HD23 LEU 45 3HD2 LEU 45 0.888 0.068 -0.681 343 H CYS 46 H CYS 46 5.719 1.274 2.971 344 HA CYS 46 HA CYS 46 6.816 -1.101 3.861 345 HB2 CYS 46 1HB CYS 46 7.350 1.638 5.027 346 HB3 CYS 46 2HB CYS 46 8.425 0.246 5.087 347 HG CYS 46 HG CYS 46 7.509 1.319 2.020 348 H LYS 47 H LYS 47 4.903 1.268 5.666 349 HA LYS 47 HA LYS 47 5.126 -0.034 8.176 350 HB2 LYS 47 1HB LYS 47 3.246 2.030 7.059 351 HB3 LYS 47 2HB LYS 47 3.005 1.360 8.667 352 HG2 LYS 47 1HG LYS 47 5.250 2.121 9.305 353 HG3 LYS 47 2HG LYS 47 5.450 2.831 7.701 354 HD2 LYS 47 1HD LYS 47 3.935 4.516 8.112 355 HD3 LYS 47 2HD LYS 47 3.070 3.584 9.336 356 HE2 LYS 47 1HE LYS 47 5.896 4.372 9.854 357 HE3 LYS 47 2HE LYS 47 4.633 5.593 10.004 358 HZ1 LYS 47 1HZ LYS 47 4.200 4.797 12.007 359 HZ2 LYS 47 2HZ LYS 47 5.334 3.557 11.818 360 HZ3 LYS 47 3HZ LYS 47 3.733 3.321 11.324 361 H LEU 48 H LEU 48 2.824 -0.252 5.521 362 HA LEU 48 HA LEU 48 0.793 -1.696 6.733 363 HB2 LEU 48 1HB LEU 48 0.502 -0.847 4.528 364 HB3 LEU 48 2HB LEU 48 1.863 -1.788 3.922 365 HG LEU 48 HG LEU 48 0.589 -3.844 4.203 366 HD11 LEU 48 1HD1 LEU 48 -1.569 -2.014 5.235 367 HD12 LEU 48 2HD1 LEU 48 -0.760 -3.316 6.107 368 HD13 LEU 48 3HD1 LEU 48 -1.832 -3.692 4.758 369 HD21 LEU 48 1HD2 LEU 48 -0.333 -3.580 2.192 370 HD22 LEU 48 2HD2 LEU 48 0.183 -1.896 2.292 371 HD23 LEU 48 3HD2 LEU 48 -1.452 -2.348 2.777 372 H ILE 49 H ILE 49 3.220 -3.202 4.602 373 HA ILE 49 HA ILE 49 2.793 -5.819 5.285 374 HB ILE 49 HB ILE 49 4.334 -5.018 3.489 375 HG12 ILE 49 1HG1 ILE 49 6.095 -6.846 3.962 376 HG13 ILE 49 2HG1 ILE 49 5.194 -7.138 5.446 377 HG21 ILE 49 1HG2 ILE 49 6.439 -4.835 5.622 378 HG22 ILE 49 2HG2 ILE 49 6.530 -4.324 3.937 379 HG23 ILE 49 3HG2 ILE 49 5.530 -3.425 5.078 380 HD11 ILE 49 1HD1 ILE 49 3.160 -7.471 4.008 381 HD12 ILE 49 2HD1 ILE 49 4.245 -7.453 2.617 382 HD13 ILE 49 3HD1 ILE 49 4.420 -8.695 3.857 383 H ASN 50 H ASN 50 4.927 -3.502 6.912 384 HA ASN 50 HA ASN 50 6.184 -5.138 8.726 385 HB2 ASN 50 1HB ASN 50 6.250 -2.516 8.330 386 HB3 ASN 50 2HB ASN 50 5.154 -2.514 9.709 387 HD21 ASN 50 1HD2 ASN 50 8.354 -2.610 8.705 388 HD22 ASN 50 2HD2 ASN 50 9.087 -2.980 10.225 389 H ARG 51 H ARG 51 2.914 -3.836 8.860 390 HA ARG 51 HA ARG 51 2.402 -4.856 11.500 391 HB2 ARG 51 1HB ARG 51 1.288 -2.827 10.512 392 HB3 ARG 51 2HB ARG 51 0.392 -3.909 9.455 393 HG2 ARG 51 1HG ARG 51 -1.052 -3.423 11.237 394 HG3 ARG 51 2HG ARG 51 -0.443 -5.048 11.555 395 HD2 ARG 51 1HD ARG 51 1.039 -2.744 12.706 396 HD3 ARG 51 2HD ARG 51 -0.507 -3.180 13.433 397 HE ARG 51 HE ARG 51 1.936 -4.530 13.783 398 HH11 ARG 51 1HH1 ARG 51 -1.445 -5.167 13.254 399 HH12 ARG 51 2HH1 ARG 51 -1.418 -6.698 14.066 400 HH21 ARG 51 1HH2 ARG 51 1.985 -6.544 14.854 401 HH22 ARG 51 2HH2 ARG 51 0.533 -7.479 14.976 402 H LEU 52 H LEU 52 1.654 -5.831 8.190 403 HA LEU 52 HA LEU 52 -0.086 -7.946 8.775 404 HB2 LEU 52 1HB LEU 52 1.858 -7.840 6.478 405 HB3 LEU 52 2HB LEU 52 0.338 -8.730 6.554 406 HG LEU 52 HG LEU 52 0.612 -5.725 6.485 407 HD11 LEU 52 1HD1 LEU 52 0.073 -5.775 4.241 408 HD12 LEU 52 2HD1 LEU 52 -0.589 -7.407 4.327 409 HD13 LEU 52 3HD1 LEU 52 1.156 -7.159 4.392 410 HD21 LEU 52 1HD2 LEU 52 -1.407 -5.875 7.473 411 HD22 LEU 52 2HD2 LEU 52 -1.638 -7.557 6.993 412 HD23 LEU 52 3HD2 LEU 52 -1.949 -6.259 5.839 413 H MET 53 H MET 53 3.440 -7.904 8.363 414 HA MET 53 HA MET 53 3.540 -10.491 9.762 415 HB2 MET 53 1HB MET 53 5.212 -9.646 7.390 416 HB3 MET 53 2HB MET 53 5.496 -11.095 8.345 417 HG2 MET 53 1HG MET 53 3.282 -11.933 7.712 418 HG3 MET 53 2HG MET 53 3.031 -10.492 6.729 419 HE1 MET 53 1HE MET 53 4.728 -14.357 5.907 420 HE2 MET 53 2HE MET 53 3.316 -13.719 6.749 421 HE3 MET 53 3HE MET 53 3.306 -13.857 4.990 422 HA PRO 54 HA PRO 54 6.286 -8.406 12.507 423 HB2 PRO 54 1HB PRO 54 7.448 -10.580 13.644 424 HB3 PRO 54 2HB PRO 54 5.796 -10.071 14.012 425 HG2 PRO 54 1HG PRO 54 6.748 -12.214 12.151 426 HG3 PRO 54 2HG PRO 54 5.401 -12.250 13.303 427 HD2 PRO 54 1HD PRO 54 5.039 -11.841 10.651 428 HD3 PRO 54 2HD PRO 54 3.989 -11.109 11.882 429 H GLY 55 H GLY 55 7.926 -7.345 11.528 430 HA2 GLY 55 1HA GLY 55 10.179 -7.038 11.022 431 HA3 GLY 55 2HA GLY 55 10.408 -8.779 11.106 432 H SER 56 H SER 56 8.452 -6.563 9.106 433 HA SER 56 HA SER 56 9.130 -8.160 6.758 434 HB2 SER 56 1HB SER 56 7.147 -5.908 7.151 435 HB3 SER 56 2HB SER 56 7.407 -6.747 5.622 436 HG SER 56 HG SER 56 6.515 -7.897 8.060 437 H VAL 57 H VAL 57 9.441 -4.868 7.996 438 HA VAL 57 HA VAL 57 11.349 -4.306 5.819 439 HB VAL 57 HB VAL 57 9.604 -2.322 7.285 440 HG11 VAL 57 1HG1 VAL 57 12.060 -1.915 6.041 441 HG12 VAL 57 2HG1 VAL 57 10.860 -1.381 4.862 442 HG13 VAL 57 3HG1 VAL 57 10.878 -0.684 6.483 443 HG21 VAL 57 1HG2 VAL 57 9.044 -2.177 4.586 444 HG22 VAL 57 2HG2 VAL 57 9.202 -3.909 4.883 445 HG23 VAL 57 3HG2 VAL 57 8.047 -2.956 5.815 446 H GLU 58 H GLU 58 13.380 -3.990 6.434 447 HA GLU 58 HA GLU 58 14.179 -4.076 9.139 448 HB2 GLU 58 1HB GLU 58 15.747 -3.189 6.710 449 HB3 GLU 58 2HB GLU 58 16.436 -3.582 8.278 450 HG2 GLU 58 1HG GLU 58 15.291 -5.874 7.942 451 HG3 GLU 58 2HG GLU 58 15.215 -5.398 6.246 452 H LYS 59 H LYS 59 13.910 -1.413 6.821 453 HA LYS 59 HA LYS 59 13.324 0.502 8.802 454 HB2 LYS 59 1HB LYS 59 15.448 1.886 8.433 455 HB3 LYS 59 2HB LYS 59 15.566 0.496 9.504 456 HG2 LYS 59 1HG LYS 59 16.428 -0.801 7.513 457 HG3 LYS 59 2HG LYS 59 16.562 0.751 6.682 458 HD2 LYS 59 1HD LYS 59 17.929 -0.023 9.259 459 HD3 LYS 59 2HD LYS 59 18.693 0.133 7.675 460 HE2 LYS 59 1HE LYS 59 17.384 2.340 9.261 461 HE3 LYS 59 2HE LYS 59 19.115 2.108 9.026 462 HZ1 LYS 59 1HZ LYS 59 18.804 2.458 6.655 463 HZ2 LYS 59 2HZ LYS 59 18.244 3.791 7.534 464 HZ3 LYS 59 3HZ LYS 59 17.142 2.684 6.882 465 H PHE 60 H PHE 60 12.131 1.982 7.807 466 HA PHE 60 HA PHE 60 12.700 2.570 4.976 467 HB2 PHE 60 1HB PHE 60 10.266 2.929 4.672 468 HB3 PHE 60 2HB PHE 60 10.651 1.275 5.136 469 HD1 PHE 60 2HD PHE 60 10.595 0.842 7.746 470 HD2 PHE 60 1HD PHE 60 8.535 3.982 5.743 471 HE1 PHE 60 2HE PHE 60 9.018 1.003 9.627 472 HE2 PHE 60 1HE PHE 60 6.954 4.148 7.621 473 HZ PHE 60 HZ PHE 60 7.194 2.657 9.566 474 H CYS 61 H CYS 61 11.483 4.696 4.338 475 HA CYS 61 HA CYS 61 12.422 6.730 6.202 476 HB2 CYS 61 1HB CYS 61 12.804 6.605 3.588 477 HB3 CYS 61 2HB CYS 61 11.236 7.403 3.544 478 HG CYS 61 HG CYS 61 14.192 8.589 4.727 479 H LEU 62 H LEU 62 11.051 7.502 7.655 480 HA LEU 62 HA LEU 62 8.234 7.173 7.476 481 HB2 LEU 62 1HB LEU 62 10.084 8.596 9.341 482 HB3 LEU 62 2HB LEU 62 8.347 8.876 9.448 483 HG LEU 62 HG LEU 62 9.828 6.292 9.901 484 HD11 LEU 62 1HD1 LEU 62 9.149 8.377 11.607 485 HD12 LEU 62 2HD1 LEU 62 9.634 6.746 12.066 486 HD13 LEU 62 3HD1 LEU 62 7.924 7.142 11.898 487 HD21 LEU 62 1HD2 LEU 62 8.000 5.344 8.982 488 HD22 LEU 62 2HD2 LEU 62 7.017 6.796 9.172 489 HD23 LEU 62 3HD2 LEU 62 7.276 5.720 10.546 490 H ASP 63 H ASP 63 10.340 10.034 7.259 491 HA ASP 63 HA ASP 63 8.173 11.395 5.799 492 HB2 ASP 63 1HB ASP 63 8.452 12.343 8.064 493 HB3 ASP 63 2HB ASP 63 10.143 12.679 7.703 494 HA PRO 64 HA PRO 64 11.877 11.154 3.063 495 HB2 PRO 64 1HB PRO 64 10.442 10.718 0.800 496 HB3 PRO 64 2HB PRO 64 10.927 9.418 1.895 497 HG2 PRO 64 1HG PRO 64 8.296 10.829 1.679 498 HG3 PRO 64 2HG PRO 64 8.624 9.098 1.883 499 HD2 PRO 64 1HD PRO 64 7.900 10.695 3.946 500 HD3 PRO 64 2HD PRO 64 8.984 9.304 4.150 501 H GLN 65 H GLN 65 12.626 13.164 2.763 502 HA GLN 65 HA GLN 65 10.852 15.286 1.867 503 HB2 GLN 65 1HB GLN 65 13.765 15.312 2.673 504 HB3 GLN 65 2HB GLN 65 12.850 16.739 2.205 505 HG2 GLN 65 1HG GLN 65 11.256 16.148 4.090 506 HG3 GLN 65 2HG GLN 65 12.490 15.010 4.628 507 HE21 GLN 65 1HE2 GLN 65 12.365 18.371 3.481 508 HE22 GLN 65 2HE2 GLN 65 13.364 19.014 4.735 509 H THR 66 H THR 66 13.325 13.208 0.618 510 HA THR 66 HA THR 66 13.231 14.661 -1.946 511 HB THR 66 HB THR 66 15.450 13.807 -2.461 512 HG1 THR 66 1HG THR 66 15.027 11.916 -0.895 513 HG21 THR 66 1HG2 THR 66 16.645 15.296 -1.167 514 HG22 THR 66 2HG2 THR 66 15.768 14.884 0.307 515 HG23 THR 66 3HG2 THR 66 15.001 15.886 -0.925 516 H GLU 67 H GLU 67 13.744 13.187 -3.849 517 HA GLU 67 HA GLU 67 11.792 11.177 -4.014 518 HB2 GLU 67 1HB GLU 67 12.547 12.334 -5.997 519 HB3 GLU 67 2HB GLU 67 14.185 11.737 -5.771 520 HG2 GLU 67 1HG GLU 67 13.258 9.416 -6.050 521 HG3 GLU 67 2HG GLU 67 11.744 10.169 -6.546 522 H ALA 68 H ALA 68 15.345 10.847 -4.008 523 HA ALA 68 HA ALA 68 15.668 8.165 -4.046 524 HB1 ALA 68 1HB ALA 68 17.179 10.392 -2.992 525 HB2 ALA 68 2HB ALA 68 17.437 8.927 -2.044 526 HB3 ALA 68 3HB ALA 68 17.744 8.919 -3.780 527 H ASP 69 H ASP 69 14.395 10.048 -1.391 528 HA ASP 69 HA ASP 69 14.501 7.905 0.517 529 HB2 ASP 69 1HB ASP 69 13.147 10.601 0.507 530 HB3 ASP 69 2HB ASP 69 12.968 9.459 1.837 531 H CYS 70 H CYS 70 11.958 9.416 -1.444 532 HA CYS 70 HA CYS 70 9.809 7.890 -0.505 533 HB2 CYS 70 1HB CYS 70 10.339 9.388 -3.049 534 HB3 CYS 70 2HB CYS 70 8.887 8.406 -2.896 535 HG CYS 70 HG CYS 70 8.630 9.976 -0.238 536 H ILE 71 H ILE 71 11.895 7.372 -3.341 537 HA ILE 71 HA ILE 71 10.705 5.013 -4.244 538 HB ILE 71 HB ILE 71 13.607 5.821 -4.466 539 HG12 ILE 71 1HG1 ILE 71 11.782 7.400 -5.357 540 HG13 ILE 71 2HG1 ILE 71 13.062 6.928 -6.470 541 HG21 ILE 71 1HG2 ILE 71 12.005 3.620 -5.669 542 HG22 ILE 71 2HG2 ILE 71 13.265 4.380 -6.637 543 HG23 ILE 71 3HG2 ILE 71 13.674 3.620 -5.099 544 HD11 ILE 71 1HD1 ILE 71 11.586 6.088 -7.884 545 HD12 ILE 71 2HD1 ILE 71 10.881 5.073 -6.625 546 HD13 ILE 71 3HD1 ILE 71 10.307 6.725 -6.851 547 H ASN 72 H ASN 72 13.385 5.496 -1.970 548 HA ASN 72 HA ASN 72 14.161 2.886 -1.557 549 HB2 ASN 72 1HB ASN 72 14.088 5.288 0.242 550 HB3 ASN 72 2HB ASN 72 14.615 3.730 0.870 551 HD21 ASN 72 1HD2 ASN 72 16.026 6.307 0.367 552 HD22 ASN 72 2HD2 ASN 72 17.398 5.879 -0.593 553 H ASN 73 H ASN 73 11.452 4.629 -0.100 554 HA ASN 73 HA ASN 73 10.680 2.689 1.763 555 HB2 ASN 73 1HB ASN 73 9.000 4.719 0.276 556 HB3 ASN 73 2HB ASN 73 8.442 3.787 1.662 557 HD21 ASN 73 1HD2 ASN 73 8.186 6.291 2.087 558 HD22 ASN 73 2HD2 ASN 73 9.447 6.964 3.058 559 H ILE 74 H ILE 74 9.125 3.354 -1.381 560 HA ILE 74 HA ILE 74 7.414 1.258 -1.554 561 HB ILE 74 HB ILE 74 9.136 2.284 -3.814 562 HG12 ILE 74 1HG1 ILE 74 6.335 3.086 -3.004 563 HG13 ILE 74 2HG1 ILE 74 7.782 4.000 -2.594 564 HG21 ILE 74 1HG2 ILE 74 6.451 0.949 -4.033 565 HG22 ILE 74 2HG2 ILE 74 7.584 1.343 -5.325 566 HG23 ILE 74 3HG2 ILE 74 7.972 0.068 -4.171 567 HD11 ILE 74 1HD1 ILE 74 7.102 5.126 -4.448 568 HD12 ILE 74 2HD1 ILE 74 8.150 3.921 -5.199 569 HD13 ILE 74 3HD1 ILE 74 6.401 3.693 -5.200 570 H ASN 75 H ASN 75 10.713 1.126 -2.916 571 HA ASN 75 HA ASN 75 10.861 -1.481 -3.645 572 HB2 ASN 75 1HB ASN 75 12.864 0.439 -2.567 573 HB3 ASN 75 2HB ASN 75 13.341 -1.253 -2.672 574 HD21 ASN 75 1HD2 ASN 75 12.907 1.651 -4.345 575 HD22 ASN 75 2HD2 ASN 75 13.221 1.063 -5.939 576 H ASP 76 H ASP 76 11.740 -0.294 -0.397 577 HA ASP 76 HA ASP 76 12.340 -2.620 0.872 578 HB2 ASP 76 1HB ASP 76 10.707 -0.320 1.964 579 HB3 ASP 76 2HB ASP 76 11.431 -1.584 2.953 580 H PHE 77 H PHE 77 9.046 -1.248 0.769 581 HA PHE 77 HA PHE 77 7.633 -3.221 1.990 582 HB2 PHE 77 1HB PHE 77 6.467 -1.282 1.257 583 HB3 PHE 77 2HB PHE 77 6.904 -1.567 -0.425 584 HD1 PHE 77 1HD PHE 77 5.173 -3.392 2.335 585 HD2 PHE 77 2HD PHE 77 5.233 -2.329 -1.786 586 HE1 PHE 77 1HE PHE 77 3.058 -4.603 1.996 587 HE2 PHE 77 2HE PHE 77 3.118 -3.537 -2.132 588 HZ PHE 77 HZ PHE 77 2.027 -4.675 -0.240 589 H LEU 78 H LEU 78 8.559 -3.177 -1.442 590 HA LEU 78 HA LEU 78 7.355 -5.532 -2.256 591 HB2 LEU 78 1HB LEU 78 10.006 -4.400 -3.139 592 HB3 LEU 78 2HB LEU 78 9.086 -5.631 -4.002 593 HG LEU 78 HG LEU 78 7.988 -2.882 -3.467 594 HD11 LEU 78 1HD1 LEU 78 10.232 -3.118 -4.850 595 HD12 LEU 78 2HD1 LEU 78 8.946 -2.016 -5.341 596 HD13 LEU 78 3HD1 LEU 78 9.107 -3.588 -6.124 597 HD21 LEU 78 1HD2 LEU 78 7.265 -4.537 -5.815 598 HD22 LEU 78 2HD2 LEU 78 6.271 -3.460 -4.834 599 HD23 LEU 78 3HD2 LEU 78 6.677 -5.071 -4.240 600 H LYS 79 H LYS 79 10.517 -5.060 -0.733 601 HA LYS 79 HA LYS 79 11.580 -7.586 -0.918 602 HB2 LYS 79 1HB LYS 79 11.716 -5.880 1.570 603 HB3 LYS 79 2HB LYS 79 12.889 -7.076 1.035 604 HG2 LYS 79 1HG LYS 79 13.340 -5.659 -0.954 605 HG3 LYS 79 2HG LYS 79 12.272 -4.433 -0.268 606 HD2 LYS 79 1HD LYS 79 14.354 -3.718 0.443 607 HD3 LYS 79 2HD LYS 79 13.795 -4.658 1.828 608 HE2 LYS 79 1HE LYS 79 15.042 -6.615 0.896 609 HE3 LYS 79 2HE LYS 79 15.712 -5.536 -0.327 610 HZ1 LYS 79 1HZ LYS 79 17.335 -5.408 1.234 611 HZ2 LYS 79 2HZ LYS 79 16.290 -5.691 2.534 612 HZ3 LYS 79 3HZ LYS 79 16.345 -4.163 1.811 613 H GLY 80 H GLY 80 9.016 -6.452 1.188 614 HA2 GLY 80 1HA GLY 80 8.958 -8.926 2.703 615 HA3 GLY 80 2HA GLY 80 7.876 -7.555 2.899 616 H CYS 81 H CYS 81 7.146 -7.420 0.096 617 HA CYS 81 HA CYS 81 4.904 -9.096 0.119 618 HB2 CYS 81 1HB CYS 81 6.196 -7.806 -2.293 619 HB3 CYS 81 2HB CYS 81 4.532 -8.364 -2.173 620 HG CYS 81 HG CYS 81 5.902 -5.738 -0.459 621 H ALA 82 H ALA 82 8.104 -9.517 -1.251 622 HA ALA 82 HA ALA 82 7.667 -11.651 -2.967 623 HB1 ALA 82 1HB ALA 82 9.897 -10.328 -1.873 624 HB2 ALA 82 2HB ALA 82 10.137 -12.051 -1.583 625 HB3 ALA 82 3HB ALA 82 9.862 -11.463 -3.223 626 H THR 83 H THR 83 7.498 -11.547 0.463 627 HA THR 83 HA THR 83 7.964 -14.332 0.935 628 HB THR 83 HB THR 83 6.843 -12.108 2.621 629 HG1 THR 83 1HG THR 83 9.224 -12.692 2.158 630 HG21 THR 83 1HG2 THR 83 7.040 -15.032 3.347 631 HG22 THR 83 2HG2 THR 83 5.571 -14.060 3.260 632 HG23 THR 83 3HG2 THR 83 6.777 -13.728 4.503 633 H LEU 84 H LEU 84 5.139 -12.319 0.365 634 HA LEU 84 HA LEU 84 3.278 -14.452 0.922 635 HB2 LEU 84 1HB LEU 84 2.948 -11.693 -0.234 636 HB3 LEU 84 2HB LEU 84 1.608 -12.815 -0.011 637 HG LEU 84 HG LEU 84 3.331 -12.010 2.306 638 HD11 LEU 84 1HD1 LEU 84 1.433 -10.321 2.729 639 HD12 LEU 84 2HD1 LEU 84 1.146 -10.439 0.993 640 HD13 LEU 84 3HD1 LEU 84 2.711 -9.889 1.593 641 HD21 LEU 84 1HD2 LEU 84 1.488 -13.897 2.182 642 HD22 LEU 84 2HD2 LEU 84 0.405 -12.526 2.418 643 HD23 LEU 84 3HD2 LEU 84 1.663 -12.871 3.606 644 H GLN 85 H GLN 85 5.171 -13.493 -1.721 645 HA GLN 85 HA GLN 85 5.323 -14.201 -3.876 646 HB2 GLN 85 1HB GLN 85 3.405 -16.385 -3.056 647 HB3 GLN 85 2HB GLN 85 4.520 -16.410 -4.415 648 HG2 GLN 85 1HG GLN 85 5.565 -16.087 -1.640 649 HG3 GLN 85 2HG GLN 85 5.102 -17.681 -2.232 650 HE21 GLN 85 1HE2 GLN 85 7.150 -14.897 -2.910 651 HE22 GLN 85 2HE2 GLN 85 8.379 -15.775 -3.748 652 H VAL 86 H VAL 86 3.639 -12.124 -3.568 653 HA VAL 86 HA VAL 86 1.331 -12.783 -5.279 654 HB VAL 86 HB VAL 86 0.361 -10.611 -4.419 655 HG11 VAL 86 1HG1 VAL 86 -0.556 -12.645 -3.620 656 HG12 VAL 86 2HG1 VAL 86 0.830 -12.937 -2.568 657 HG13 VAL 86 3HG1 VAL 86 -0.292 -11.625 -2.206 658 HG21 VAL 86 1HG2 VAL 86 2.858 -10.216 -3.380 659 HG22 VAL 86 2HG2 VAL 86 1.405 -9.348 -2.888 660 HG23 VAL 86 3HG2 VAL 86 1.949 -10.749 -1.966 661 H GLU 87 H GLU 87 0.729 -11.224 -6.896 662 HA GLU 87 HA GLU 87 2.701 -10.441 -8.606 663 HB2 GLU 87 1HB GLU 87 0.047 -9.054 -8.186 664 HB3 GLU 87 2HB GLU 87 1.068 -8.880 -9.606 665 HG2 GLU 87 1HG GLU 87 0.833 -11.351 -9.959 666 HG3 GLU 87 2HG GLU 87 -0.379 -11.344 -8.679 667 H ILE 88 H ILE 88 4.077 -8.766 -8.843 668 HA ILE 88 HA ILE 88 4.004 -6.670 -6.773 669 HB ILE 88 HB ILE 88 6.457 -6.431 -7.173 670 HG12 ILE 88 1HG1 ILE 88 6.423 -9.134 -8.460 671 HG13 ILE 88 2HG1 ILE 88 6.167 -7.706 -9.457 672 HG21 ILE 88 1HG2 ILE 88 5.617 -9.185 -6.283 673 HG22 ILE 88 2HG2 ILE 88 7.086 -8.326 -5.823 674 HG23 ILE 88 3HG2 ILE 88 5.514 -7.731 -5.291 675 HD11 ILE 88 1HD1 ILE 88 8.394 -7.746 -9.648 676 HD12 ILE 88 2HD1 ILE 88 8.366 -6.973 -8.063 677 HD13 ILE 88 3HD1 ILE 88 8.606 -8.715 -8.190 678 H PHE 89 H PHE 89 5.488 -4.732 -7.612 679 HA PHE 89 HA PHE 89 4.955 -4.136 -10.414 680 HB2 PHE 89 1HB PHE 89 3.943 -1.938 -9.831 681 HB3 PHE 89 2HB PHE 89 2.953 -3.307 -9.337 682 HD1 PHE 89 1HD PHE 89 5.537 -0.974 -8.019 683 HD2 PHE 89 2HD PHE 89 2.139 -3.396 -7.181 684 HE1 PHE 89 1HE PHE 89 5.482 -0.096 -5.721 685 HE2 PHE 89 2HE PHE 89 2.079 -2.522 -4.882 686 HZ PHE 89 HZ PHE 89 3.751 -0.869 -4.149 687 H ASP 90 H ASP 90 5.857 -1.846 -10.916 688 HA ASP 90 HA ASP 90 8.567 -1.789 -9.849 689 HB2 ASP 90 1HB ASP 90 7.248 -0.456 -12.212 690 HB3 ASP 90 2HB ASP 90 8.887 -0.062 -11.699 691 HA PRO 91 HA PRO 91 8.023 1.716 -7.264 692 HB2 PRO 91 1HB PRO 91 10.462 2.890 -7.470 693 HB3 PRO 91 2HB PRO 91 10.190 1.389 -6.577 694 HG2 PRO 91 1HG PRO 91 11.264 1.778 -9.344 695 HG3 PRO 91 2HG PRO 91 11.828 0.682 -8.069 696 HD2 PRO 91 1HD PRO 91 10.281 -0.153 -10.128 697 HD3 PRO 91 2HD PRO 91 10.189 -0.877 -8.510 698 H ASP 92 H ASP 92 8.568 2.025 -10.605 699 HA ASP 92 HA ASP 92 8.382 4.934 -10.600 700 HB2 ASP 92 1HB ASP 92 9.838 3.436 -12.189 701 HB3 ASP 92 2HB ASP 92 8.336 3.275 -13.095 702 H ASP 93 H ASP 93 6.463 2.104 -11.386 703 HA ASP 93 HA ASP 93 4.358 3.396 -12.730 704 HB2 ASP 93 1HB ASP 93 4.408 0.845 -11.111 705 HB3 ASP 93 2HB ASP 93 3.018 1.374 -12.055 706 H LEU 94 H LEU 94 5.103 3.038 -9.343 707 HA LEU 94 HA LEU 94 2.506 4.106 -8.551 708 HB2 LEU 94 1HB LEU 94 3.377 2.250 -7.266 709 HB3 LEU 94 2HB LEU 94 4.858 3.143 -6.930 710 HG LEU 94 HG LEU 94 3.521 4.771 -5.619 711 HD11 LEU 94 1HD1 LEU 94 1.364 3.605 -6.913 712 HD12 LEU 94 2HD1 LEU 94 1.299 4.768 -5.590 713 HD13 LEU 94 3HD1 LEU 94 1.235 3.040 -5.248 714 HD21 LEU 94 1HD2 LEU 94 2.794 2.833 -3.897 715 HD22 LEU 94 2HD2 LEU 94 4.458 3.374 -4.118 716 HD23 LEU 94 3HD2 LEU 94 3.883 1.925 -4.946 717 H TYR 95 H TYR 95 5.952 4.882 -8.090 718 HA TYR 95 HA TYR 95 5.614 7.334 -6.813 719 HB2 TYR 95 1HB TYR 95 7.776 6.221 -6.913 720 HB3 TYR 95 2HB TYR 95 7.836 6.435 -8.659 721 HD1 TYR 95 2HD TYR 95 7.356 8.555 -5.611 722 HD2 TYR 95 1HD TYR 95 9.180 8.135 -9.432 723 HE1 TYR 95 2HE TYR 95 8.489 10.716 -5.302 724 HE2 TYR 95 1HE TYR 95 10.318 10.295 -9.133 725 HH TYR 95 HH TYR 95 10.518 12.109 -7.855 726 H SER 96 H SER 96 6.269 6.760 -10.273 727 HA SER 96 HA SER 96 5.774 9.478 -10.988 728 HB2 SER 96 1HB SER 96 5.881 7.025 -12.760 729 HB3 SER 96 2HB SER 96 5.990 8.701 -13.299 730 HG SER 96 HG SER 96 8.002 7.298 -12.812 731 H GLY 97 H GLY 97 3.954 6.456 -11.507 732 HA2 GLY 97 1HA GLY 97 1.572 6.390 -11.148 733 HA3 GLY 97 2HA GLY 97 1.499 8.080 -11.622 734 H VAL 98 H VAL 98 2.990 5.233 -13.153 735 HA VAL 98 HA VAL 98 1.761 6.009 -15.684 736 HB VAL 98 HB VAL 98 3.817 3.882 -15.071 737 HG11 VAL 98 1HG1 VAL 98 4.025 4.271 -17.718 738 HG12 VAL 98 2HG1 VAL 98 3.010 3.019 -17.000 739 HG13 VAL 98 3HG1 VAL 98 2.296 4.549 -17.513 740 HG21 VAL 98 1HG2 VAL 98 4.096 6.646 -15.239 741 HG22 VAL 98 2HG2 VAL 98 5.385 5.445 -15.316 742 HG23 VAL 98 3HG2 VAL 98 4.646 6.042 -16.802 743 H ASN 99 H ASN 99 2.005 3.142 -13.592 744 HA ASN 99 HA ASN 99 -0.566 2.232 -14.681 745 HB2 ASN 99 1HB ASN 99 2.006 0.704 -14.512 746 HB3 ASN 99 2HB ASN 99 0.477 -0.153 -14.337 747 HD21 ASN 99 1HD2 ASN 99 0.562 -1.283 -16.213 748 HD22 ASN 99 2HD2 ASN 99 0.499 -0.553 -17.778 749 H PHE 100 H PHE 100 -1.892 2.440 -12.991 750 HA PHE 100 HA PHE 100 -0.940 1.764 -10.311 751 HB2 PHE 100 1HB PHE 100 -2.118 3.908 -10.619 752 HB3 PHE 100 2HB PHE 100 -3.541 3.039 -11.186 753 HD1 PHE 100 2HD PHE 100 -1.217 2.813 -8.270 754 HD2 PHE 100 1HD PHE 100 -5.237 2.918 -9.662 755 HE1 PHE 100 2HE PHE 100 -2.020 2.628 -5.952 756 HE2 PHE 100 1HE PHE 100 -6.048 2.734 -7.346 757 HZ PHE 100 HZ PHE 100 -4.438 2.588 -5.487 758 H SER 101 H SER 101 -3.072 0.639 -12.808 759 HA SER 101 HA SER 101 -4.843 -0.973 -11.461 760 HB2 SER 101 1HB SER 101 -5.155 -2.159 -13.478 761 HB3 SER 101 2HB SER 101 -4.624 -0.557 -13.989 762 HG SER 101 HG SER 101 -2.579 -1.375 -14.355 763 H LYS 102 H LYS 102 -1.433 -1.386 -11.854 764 HA LYS 102 HA LYS 102 -1.474 -4.171 -11.033 765 HB2 LYS 102 1HB LYS 102 0.924 -2.370 -11.389 766 HB3 LYS 102 2HB LYS 102 0.911 -4.128 -11.338 767 HG2 LYS 102 1HG LYS 102 -0.117 -4.281 -13.454 768 HG3 LYS 102 2HG LYS 102 -0.528 -2.565 -13.461 769 HD2 LYS 102 1HD LYS 102 1.354 -2.941 -14.924 770 HD3 LYS 102 2HD LYS 102 1.890 -2.030 -13.511 771 HE2 LYS 102 1HE LYS 102 2.081 -5.009 -13.501 772 HE3 LYS 102 2HE LYS 102 3.279 -4.069 -14.389 773 HZ1 LYS 102 1HZ LYS 102 3.635 -4.676 -11.888 774 HZ2 LYS 102 2HZ LYS 102 2.676 -3.308 -11.623 775 HZ3 LYS 102 3HZ LYS 102 4.124 -3.171 -12.486 776 H VAL 103 H VAL 103 -0.485 -1.034 -9.723 777 HA VAL 103 HA VAL 103 0.605 -1.954 -7.308 778 HB VAL 103 HB VAL 103 -0.777 0.676 -7.860 779 HG11 VAL 103 1HG1 VAL 103 0.436 -0.441 -5.463 780 HG12 VAL 103 2HG1 VAL 103 1.150 1.101 -5.939 781 HG13 VAL 103 3HG1 VAL 103 -0.587 0.982 -5.656 782 HG21 VAL 103 1HG2 VAL 103 1.477 1.542 -8.229 783 HG22 VAL 103 2HG2 VAL 103 2.144 -0.071 -7.979 784 HG23 VAL 103 3HG2 VAL 103 1.101 0.246 -9.365 785 H LEU 104 H LEU 104 -2.701 -1.002 -8.154 786 HA LEU 104 HA LEU 104 -3.802 -1.219 -5.576 787 HB2 LEU 104 1HB LEU 104 -4.879 -0.103 -7.508 788 HB3 LEU 104 2HB LEU 104 -5.175 -1.688 -8.219 789 HG LEU 104 HG LEU 104 -6.512 -2.183 -6.087 790 HD11 LEU 104 1HD1 LEU 104 -6.841 0.777 -5.912 791 HD12 LEU 104 2HD1 LEU 104 -5.525 -0.010 -5.042 792 HD13 LEU 104 3HD1 LEU 104 -7.196 -0.468 -4.714 793 HD21 LEU 104 1HD2 LEU 104 -8.461 -1.522 -7.134 794 HD22 LEU 104 2HD2 LEU 104 -7.317 -1.553 -8.477 795 HD23 LEU 104 3HD2 LEU 104 -7.757 -0.017 -7.728 796 H SER 105 H SER 105 -3.492 -3.573 -8.205 797 HA SER 105 HA SER 105 -4.909 -5.658 -6.935 798 HB2 SER 105 1HB SER 105 -2.668 -6.122 -8.891 799 HB3 SER 105 2HB SER 105 -4.153 -7.049 -8.678 800 HG SER 105 HG SER 105 -3.806 -5.271 -10.463 801 H THR 106 H THR 106 -1.392 -5.222 -7.349 802 HA THR 106 HA THR 106 -0.356 -7.288 -5.989 803 HB THR 106 HB THR 106 0.506 -4.401 -5.797 804 HG1 THR 106 1HG THR 106 2.215 -5.427 -7.201 805 HG21 THR 106 1HG2 THR 106 1.418 -6.681 -4.276 806 HG22 THR 106 2HG2 THR 106 1.889 -4.986 -4.147 807 HG23 THR 106 3HG2 THR 106 2.708 -6.043 -5.295 808 H LEU 107 H LEU 107 -1.862 -4.459 -4.505 809 HA LEU 107 HA LEU 107 -1.311 -5.340 -1.823 810 HB2 LEU 107 1HB LEU 107 -2.983 -3.134 -2.988 811 HB3 LEU 107 2HB LEU 107 -2.962 -3.479 -1.260 812 HG LEU 107 HG LEU 107 -0.469 -2.824 -2.814 813 HD11 LEU 107 1HD1 LEU 107 -1.202 -0.634 -1.228 814 HD12 LEU 107 2HD1 LEU 107 -2.645 -1.082 -2.137 815 HD13 LEU 107 3HD1 LEU 107 -1.143 -0.720 -2.988 816 HD21 LEU 107 1HD2 LEU 107 -0.601 -3.949 -0.432 817 HD22 LEU 107 2HD2 LEU 107 -0.886 -2.285 0.082 818 HD23 LEU 107 3HD2 LEU 107 0.590 -2.698 -0.793 819 H LEU 108 H LEU 108 -4.090 -5.354 -4.003 820 HA LEU 108 HA LEU 108 -6.103 -6.145 -2.303 821 HB2 LEU 108 1HB LEU 108 -5.522 -6.623 -5.180 822 HB3 LEU 108 2HB LEU 108 -6.827 -7.541 -4.432 823 HG LEU 108 HG LEU 108 -6.718 -4.539 -4.317 824 HD11 LEU 108 1HD1 LEU 108 -7.309 -4.353 -6.444 825 HD12 LEU 108 2HD1 LEU 108 -8.619 -5.512 -6.219 826 HD13 LEU 108 3HD1 LEU 108 -7.006 -6.077 -6.652 827 HD21 LEU 108 1HD2 LEU 108 -9.024 -6.472 -4.126 828 HD22 LEU 108 2HD2 LEU 108 -9.069 -4.729 -3.857 829 HD23 LEU 108 3HD2 LEU 108 -8.187 -5.771 -2.741 830 H ALA 109 H ALA 109 -3.780 -8.229 -4.006 831 HA ALA 109 HA ALA 109 -4.748 -10.687 -3.083 832 HB1 ALA 109 1HB ALA 109 -3.111 -11.497 -4.350 833 HB2 ALA 109 2HB ALA 109 -2.650 -9.829 -4.696 834 HB3 ALA 109 3HB ALA 109 -1.875 -10.702 -3.374 835 H VAL 110 H VAL 110 -1.976 -8.804 -1.849 836 HA VAL 110 HA VAL 110 -1.269 -10.335 0.302 837 HB VAL 110 HB VAL 110 -1.347 -7.320 0.146 838 HG11 VAL 110 1HG1 VAL 110 -1.006 -7.460 2.370 839 HG12 VAL 110 2HG1 VAL 110 -0.496 -9.147 2.294 840 HG13 VAL 110 3HG1 VAL 110 0.641 -7.862 1.888 841 HG21 VAL 110 1HG2 VAL 110 0.238 -7.721 -1.389 842 HG22 VAL 110 2HG2 VAL 110 1.265 -8.098 -0.006 843 HG23 VAL 110 3HG2 VAL 110 0.448 -9.395 -0.878 844 H ASN 111 H ASN 111 -3.922 -8.010 0.111 845 HA ASN 111 HA ASN 111 -4.644 -8.088 2.837 846 HB2 ASN 111 1HB ASN 111 -5.611 -6.287 1.782 847 HB3 ASN 111 2HB ASN 111 -5.954 -7.195 0.313 848 HD21 ASN 111 1HD2 ASN 111 -6.931 -6.791 3.674 849 HD22 ASN 111 2HD2 ASN 111 -8.584 -7.235 3.435 850 H LYS 112 H LYS 112 -5.536 -10.065 0.072 851 HA LYS 112 HA LYS 112 -7.613 -11.494 1.412 852 HB2 LYS 112 1HB LYS 112 -6.139 -11.795 -1.170 853 HB3 LYS 112 2HB LYS 112 -7.074 -13.157 -0.568 854 HG2 LYS 112 1HG LYS 112 -8.217 -10.403 -0.950 855 HG3 LYS 112 2HG LYS 112 -8.268 -11.666 -2.182 856 HD2 LYS 112 1HD LYS 112 -9.326 -13.102 -0.291 857 HD3 LYS 112 2HD LYS 112 -9.657 -11.542 0.467 858 HE2 LYS 112 1HE LYS 112 -11.587 -12.091 -0.781 859 HE3 LYS 112 2HE LYS 112 -10.739 -10.857 -1.710 860 HZ1 LYS 112 1HZ LYS 112 -10.034 -12.404 -3.269 861 HZ2 LYS 112 2HZ LYS 112 -11.617 -12.897 -2.939 862 HZ3 LYS 112 3HZ LYS 112 -10.313 -13.727 -2.252 863 H ALA 113 H ALA 113 -4.166 -11.968 0.946 864 HA ALA 113 HA ALA 113 -4.092 -14.644 1.920 865 HB1 ALA 113 1HB ALA 113 -1.625 -14.190 2.137 866 HB2 ALA 113 2HB ALA 113 -2.305 -13.943 0.528 867 HB3 ALA 113 3HB ALA 113 -1.955 -12.556 1.560 868 H THR 114 H THR 114 -3.737 -11.469 3.397 869 HA THR 114 HA THR 114 -2.810 -12.364 5.918 870 HB THR 114 HB THR 114 -3.664 -10.118 6.733 871 HG1 THR 114 1HG THR 114 -4.136 -8.702 4.815 872 HG21 THR 114 1HG2 THR 114 -1.361 -10.425 5.987 873 HG22 THR 114 2HG2 THR 114 -1.966 -8.843 5.494 874 HG23 THR 114 3HG2 THR 114 -1.853 -10.150 4.316 875 H GLU 115 H GLU 115 -6.053 -11.513 4.731 876 HA GLU 115 HA GLU 115 -7.635 -11.637 6.876 877 HB2 GLU 115 1HB GLU 115 -8.061 -13.019 4.229 878 HB3 GLU 115 2HB GLU 115 -9.314 -12.914 5.457 879 HG2 GLU 115 1HG GLU 115 -7.967 -10.418 4.560 880 HG3 GLU 115 2HG GLU 115 -9.172 -11.168 3.514 881 H SER 116 H SER 116 -7.990 -12.950 8.535 882 HA SER 116 HA SER 116 -6.686 -15.497 8.687 883 HB2 SER 116 1HB SER 116 -8.575 -14.090 10.587 884 HB3 SER 116 2HB SER 116 -7.754 -15.608 10.950 885 HG SER 116 HG SER 116 -6.618 -13.783 11.756 886 H GLY 117 H GLY 117 -7.471 -17.267 7.764 887 HA2 GLY 117 1HA GLY 117 -10.316 -17.499 7.203 888 HA3 GLY 117 2HA GLY 117 -9.052 -18.594 6.662 889 HA PRO 118 HA PRO 118 -10.343 -21.482 9.700 890 HB2 PRO 118 1HB PRO 118 -8.029 -22.848 10.082 891 HB3 PRO 118 2HB PRO 118 -9.010 -23.010 8.621 892 HG2 PRO 118 1HG PRO 118 -6.544 -21.374 9.075 893 HG3 PRO 118 2HG PRO 118 -6.980 -22.376 7.679 894 HD2 PRO 118 1HD PRO 118 -7.261 -19.683 7.684 895 HD3 PRO 118 2HD PRO 118 -8.355 -20.755 6.787 896 H SER 119 H SER 119 -10.738 -21.090 11.778 897 HA SER 119 HA SER 119 -8.648 -19.819 13.407 898 HB2 SER 119 1HB SER 119 -11.654 -19.908 13.716 899 HB3 SER 119 2HB SER 119 -10.573 -19.277 14.958 900 HG SER 119 HG SER 119 -11.551 -17.960 12.942 901 H SER 120 H SER 120 -11.196 -22.297 13.630 902 HA SER 120 HA SER 120 -10.833 -23.396 16.043 903 HB2 SER 120 1HB SER 120 -12.360 -24.313 14.328 904 HB3 SER 120 2HB SER 120 -10.978 -25.019 13.489 905 HG SER 120 HG SER 120 -11.808 -26.606 14.778 906 H GLY 121 H GLY 121 -9.322 -24.460 17.192 907 HA2 GLY 121 1HA GLY 121 -7.245 -25.241 17.783 908 HA3 GLY 121 2HA GLY 121 -7.281 -26.077 16.238 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -27.868 1.843 -5.892 2 HA2 GLY 1 1HA GLY 1 -25.981 1.259 -7.308 3 HA3 GLY 1 2HA GLY 1 -24.973 1.270 -5.868 4 H SER 2 H SER 2 -24.934 -0.513 -4.519 5 HA SER 2 HA SER 2 -24.938 -2.743 -4.057 6 HB2 SER 2 1HB SER 2 -27.795 -2.352 -4.962 7 HB3 SER 2 2HB SER 2 -27.204 -3.865 -4.275 8 HG SER 2 HG SER 2 -26.417 -2.261 -2.531 9 H SER 3 H SER 3 -23.739 -2.204 -6.444 10 HA SER 3 HA SER 3 -24.690 -4.348 -8.227 11 HB2 SER 3 1HB SER 3 -23.386 -1.714 -8.752 12 HB3 SER 3 2HB SER 3 -23.042 -3.047 -9.854 13 HG SER 3 HG SER 3 -24.834 -1.970 -10.617 14 H GLY 4 H GLY 4 -21.768 -2.834 -6.887 15 HA2 GLY 4 1HA GLY 4 -20.483 -5.214 -6.239 16 HA3 GLY 4 2HA GLY 4 -19.963 -4.789 -7.863 17 H SER 5 H SER 5 -17.842 -4.740 -6.717 18 HA SER 5 HA SER 5 -17.200 -1.999 -6.061 19 HB2 SER 5 1HB SER 5 -16.194 -2.457 -3.908 20 HB3 SER 5 2HB SER 5 -17.870 -3.005 -3.871 21 HG SER 5 HG SER 5 -17.224 -5.044 -3.801 22 H SER 6 H SER 6 -15.330 -1.502 -6.989 23 HA SER 6 HA SER 6 -13.790 -3.425 -8.374 24 HB2 SER 6 1HB SER 6 -13.268 -0.526 -7.701 25 HB3 SER 6 2HB SER 6 -12.184 -1.492 -8.702 26 HG SER 6 HG SER 6 -14.110 -1.902 -10.030 27 H GLY 7 H GLY 7 -12.878 -1.354 -5.608 28 HA2 GLY 7 1HA GLY 7 -11.888 -3.053 -3.820 29 HA3 GLY 7 2HA GLY 7 -10.627 -3.117 -5.042 30 H GLU 8 H GLU 8 -10.852 -0.337 -5.803 31 HA GLU 8 HA GLU 8 -8.910 0.879 -4.409 32 HB2 GLU 8 1HB GLU 8 -11.401 2.227 -5.465 33 HB3 GLU 8 2HB GLU 8 -9.923 3.067 -5.016 34 HG2 GLU 8 1HG GLU 8 -9.575 2.888 -7.245 35 HG3 GLU 8 2HG GLU 8 -8.858 1.362 -6.729 36 H GLU 9 H GLU 9 -12.353 1.028 -3.535 37 HA GLU 9 HA GLU 9 -11.997 2.613 -1.225 38 HB2 GLU 9 1HB GLU 9 -14.159 1.996 -2.569 39 HB3 GLU 9 2HB GLU 9 -14.231 0.631 -1.463 40 HG2 GLU 9 1HG GLU 9 -13.906 3.387 -0.375 41 HG3 GLU 9 2HG GLU 9 -15.492 2.841 -0.918 42 H GLN 10 H GLN 10 -12.113 -0.884 -1.730 43 HA GLN 10 HA GLN 10 -12.142 -1.717 0.923 44 HB2 GLN 10 1HB GLN 10 -11.223 -2.913 -1.643 45 HB3 GLN 10 2HB GLN 10 -10.714 -3.693 -0.151 46 HG2 GLN 10 1HG GLN 10 -13.291 -3.476 0.408 47 HG3 GLN 10 2HG GLN 10 -13.412 -3.464 -1.351 48 HE21 GLN 10 1HE2 GLN 10 -12.656 -5.324 1.457 49 HE22 GLN 10 2HE2 GLN 10 -12.522 -6.855 0.668 50 H ILE 11 H ILE 11 -9.367 -1.007 -1.176 51 HA ILE 11 HA ILE 11 -7.368 -1.640 0.699 52 HB ILE 11 HB ILE 11 -7.251 0.322 -1.594 53 HG12 ILE 11 1HG1 ILE 11 -7.801 -1.850 -2.436 54 HG13 ILE 11 2HG1 ILE 11 -6.084 -1.603 -2.733 55 HG21 ILE 11 1HG2 ILE 11 -4.758 -0.295 -1.433 56 HG22 ILE 11 2HG2 ILE 11 -5.413 0.858 -0.272 57 HG23 ILE 11 3HG2 ILE 11 -5.146 -0.818 0.206 58 HD11 ILE 11 1HD1 ILE 11 -6.032 -2.819 -0.311 59 HD12 ILE 11 2HD1 ILE 11 -7.444 -3.571 -1.053 60 HD13 ILE 11 3HD1 ILE 11 -5.878 -3.647 -1.861 61 H VAL 12 H VAL 12 -8.920 1.449 -0.115 62 HA VAL 12 HA VAL 12 -7.447 3.139 1.513 63 HB VAL 12 HB VAL 12 -10.367 3.265 0.764 64 HG11 VAL 12 1HG1 VAL 12 -8.687 5.458 1.972 65 HG12 VAL 12 2HG1 VAL 12 -10.383 5.562 1.494 66 HG13 VAL 12 3HG1 VAL 12 -9.907 4.530 2.843 67 HG21 VAL 12 1HG2 VAL 12 -8.888 5.315 -0.438 68 HG22 VAL 12 2HG2 VAL 12 -7.906 3.860 -0.599 69 HG23 VAL 12 3HG2 VAL 12 -9.559 3.881 -1.214 70 H THR 13 H THR 13 -10.670 1.856 2.350 71 HA THR 13 HA THR 13 -10.598 2.563 5.043 72 HB THR 13 HB THR 13 -12.053 0.180 3.884 73 HG1 THR 13 1HG THR 13 -13.694 1.627 3.409 74 HG21 THR 13 1HG2 THR 13 -13.140 0.001 5.838 75 HG22 THR 13 2HG2 THR 13 -13.329 1.748 5.991 76 HG23 THR 13 3HG2 THR 13 -11.831 0.974 6.507 77 H TRP 14 H TRP 14 -9.426 -0.328 3.412 78 HA TRP 14 HA TRP 14 -8.946 -1.920 5.665 79 HB2 TRP 14 1HB TRP 14 -8.877 -2.857 3.430 80 HB3 TRP 14 2HB TRP 14 -7.508 -1.833 3.005 81 HD1 TRP 14 HD TRP 14 -7.896 -4.034 6.172 82 HE1 TRP 14 1HE TRP 14 -5.915 -5.676 6.244 83 HE3 TRP 14 3HE TRP 14 -5.684 -2.831 1.723 84 HZ2 TRP 14 2HZ TRP 14 -3.707 -6.369 4.628 85 HZ3 TRP 14 3HZ TRP 14 -3.640 -4.030 1.060 86 HH2 TRP 14 HH TRP 14 -2.674 -5.761 2.484 87 H LEU 15 H LEU 15 -6.535 -0.056 3.803 88 HA LEU 15 HA LEU 15 -4.363 -0.327 5.419 89 HB2 LEU 15 1HB LEU 15 -5.268 2.160 3.979 90 HB3 LEU 15 2HB LEU 15 -3.653 1.924 4.644 91 HG LEU 15 HG LEU 15 -4.861 0.201 2.484 92 HD11 LEU 15 1HD1 LEU 15 -4.641 2.269 1.443 93 HD12 LEU 15 2HD1 LEU 15 -3.118 1.460 1.078 94 HD13 LEU 15 3HD1 LEU 15 -3.185 2.680 2.349 95 HD21 LEU 15 1HD2 LEU 15 -1.983 0.494 3.316 96 HD22 LEU 15 2HD2 LEU 15 -2.682 -0.699 2.220 97 HD23 LEU 15 3HD2 LEU 15 -3.051 -0.761 3.945 98 H ILE 16 H ILE 16 -6.763 2.296 5.709 99 HA ILE 16 HA ILE 16 -5.756 3.522 7.974 100 HB ILE 16 HB ILE 16 -8.662 3.199 7.217 101 HG12 ILE 16 1HG1 ILE 16 -6.756 5.477 6.644 102 HG13 ILE 16 2HG1 ILE 16 -7.186 4.229 5.480 103 HG21 ILE 16 1HG2 ILE 16 -8.987 4.079 9.258 104 HG22 ILE 16 2HG2 ILE 16 -7.314 4.615 9.404 105 HG23 ILE 16 3HG2 ILE 16 -8.475 5.585 8.498 106 HD11 ILE 16 1HD1 ILE 16 -8.980 6.310 6.689 107 HD12 ILE 16 2HD1 ILE 16 -8.507 6.130 5.000 108 HD13 ILE 16 3HD1 ILE 16 -9.572 4.941 5.749 109 H SER 17 H SER 17 -8.332 1.055 7.870 110 HA SER 17 HA SER 17 -8.831 0.704 10.517 111 HB2 SER 17 1HB SER 17 -8.610 -1.405 8.362 112 HB3 SER 17 2HB SER 17 -9.265 -1.724 9.968 113 HG SER 17 HG SER 17 -10.618 0.281 9.323 114 H LEU 18 H LEU 18 -6.246 -0.940 8.701 115 HA LEU 18 HA LEU 18 -5.153 -2.374 10.825 116 HB2 LEU 18 1HB LEU 18 -4.036 -1.326 8.255 117 HB3 LEU 18 2HB LEU 18 -2.986 -2.132 9.419 118 HG LEU 18 HG LEU 18 -5.428 -3.378 8.159 119 HD11 LEU 18 1HD1 LEU 18 -4.089 -3.416 6.345 120 HD12 LEU 18 2HD1 LEU 18 -3.354 -4.780 7.187 121 HD13 LEU 18 3HD1 LEU 18 -2.617 -3.181 7.288 122 HD21 LEU 18 1HD2 LEU 18 -3.353 -5.091 9.284 123 HD22 LEU 18 2HD2 LEU 18 -5.105 -5.150 9.481 124 HD23 LEU 18 3HD2 LEU 18 -4.140 -4.064 10.483 125 H GLY 19 H GLY 19 -4.564 0.936 9.752 126 HA2 GLY 19 1HA GLY 19 -4.058 2.582 11.485 127 HA3 GLY 19 2HA GLY 19 -3.044 1.366 12.248 128 H VAL 20 H VAL 20 -3.119 1.998 8.794 129 HA VAL 20 HA VAL 20 -0.398 3.115 9.004 130 HB VAL 20 HB VAL 20 0.033 2.100 6.754 131 HG11 VAL 20 1HG1 VAL 20 0.666 0.000 7.617 132 HG12 VAL 20 2HG1 VAL 20 0.709 1.105 8.992 133 HG13 VAL 20 3HG1 VAL 20 -0.649 -0.003 8.791 134 HG21 VAL 20 1HG2 VAL 20 -2.385 1.811 6.188 135 HG22 VAL 20 2HG2 VAL 20 -1.394 0.380 5.903 136 HG23 VAL 20 3HG2 VAL 20 -2.433 0.464 7.325 137 H LEU 21 H LEU 21 -3.542 3.724 8.118 138 HA LEU 21 HA LEU 21 -2.692 5.960 6.412 139 HB2 LEU 21 1HB LEU 21 -3.586 4.261 4.943 140 HB3 LEU 21 2HB LEU 21 -5.037 4.127 5.934 141 HG LEU 21 HG LEU 21 -5.634 6.446 5.296 142 HD11 LEU 21 1HD1 LEU 21 -3.788 6.473 3.020 143 HD12 LEU 21 2HD1 LEU 21 -3.026 6.716 4.591 144 HD13 LEU 21 3HD1 LEU 21 -4.325 7.787 4.066 145 HD21 LEU 21 1HD2 LEU 21 -5.733 4.091 3.718 146 HD22 LEU 21 2HD2 LEU 21 -5.474 5.460 2.637 147 HD23 LEU 21 3HD2 LEU 21 -6.855 5.452 3.735 148 H GLU 22 H GLU 22 -3.507 7.874 6.997 149 HA GLU 22 HA GLU 22 -4.851 8.272 9.388 150 HB2 GLU 22 1HB GLU 22 -4.296 9.949 6.995 151 HB3 GLU 22 2HB GLU 22 -5.508 10.534 8.126 152 HG2 GLU 22 1HG GLU 22 -2.598 10.010 8.616 153 HG3 GLU 22 2HG GLU 22 -3.492 11.519 8.794 154 H SER 23 H SER 23 -7.005 9.249 9.721 155 HA SER 23 HA SER 23 -8.996 8.067 7.897 156 HB2 SER 23 1HB SER 23 -10.437 7.665 9.790 157 HB3 SER 23 2HB SER 23 -8.852 6.983 10.155 158 HG SER 23 HG SER 23 -10.219 8.839 11.504 159 HA PRO 24 HA PRO 24 -9.644 12.630 7.799 160 HB2 PRO 24 1HB PRO 24 -10.290 12.695 5.163 161 HB3 PRO 24 2HB PRO 24 -8.622 12.751 5.745 162 HG2 PRO 24 1HG PRO 24 -10.182 10.426 4.686 163 HG3 PRO 24 2HG PRO 24 -8.504 10.892 4.353 164 HD2 PRO 24 1HD PRO 24 -9.152 8.931 6.105 165 HD3 PRO 24 2HD PRO 24 -7.726 9.967 6.316 166 H LYS 25 H LYS 25 -11.535 13.025 8.787 167 HA LYS 25 HA LYS 25 -13.867 11.718 8.843 168 HB2 LYS 25 1HB LYS 25 -13.644 14.721 8.567 169 HB3 LYS 25 2HB LYS 25 -15.024 13.852 9.226 170 HG2 LYS 25 1HG LYS 25 -12.260 13.728 10.405 171 HG3 LYS 25 2HG LYS 25 -13.503 14.868 10.924 172 HD2 LYS 25 1HD LYS 25 -14.054 11.923 10.852 173 HD3 LYS 25 2HD LYS 25 -13.219 12.652 12.225 174 HE2 LYS 25 1HE LYS 25 -15.757 13.881 11.258 175 HE3 LYS 25 2HE LYS 25 -15.837 12.395 12.205 176 HZ1 LYS 25 1HZ LYS 25 -15.882 13.895 13.880 177 HZ2 LYS 25 2HZ LYS 25 -15.030 15.077 13.021 178 HZ3 LYS 25 3HZ LYS 25 -14.201 13.782 13.726 179 H LYS 26 H LYS 26 -12.992 14.038 6.299 180 HA LYS 26 HA LYS 26 -15.305 14.031 4.809 181 HB2 LYS 26 1HB LYS 26 -12.412 14.278 4.047 182 HB3 LYS 26 2HB LYS 26 -13.658 14.285 2.806 183 HG2 LYS 26 1HG LYS 26 -14.706 16.127 4.395 184 HG3 LYS 26 2HG LYS 26 -13.016 16.315 4.867 185 HD2 LYS 26 1HD LYS 26 -13.278 17.828 3.107 186 HD3 LYS 26 2HD LYS 26 -12.533 16.420 2.346 187 HE2 LYS 26 1HE LYS 26 -15.509 16.657 2.422 188 HE3 LYS 26 2HE LYS 26 -14.594 17.591 1.240 189 HZ1 LYS 26 1HZ LYS 26 -14.698 15.764 -0.003 190 HZ2 LYS 26 2HZ LYS 26 -15.178 14.784 1.289 191 HZ3 LYS 26 3HZ LYS 26 -13.536 15.101 1.034 192 H THR 27 H THR 27 -15.500 13.011 2.549 193 HA THR 27 HA THR 27 -15.062 10.117 2.845 194 HB THR 27 HB THR 27 -16.952 11.195 0.806 195 HG1 THR 27 1HG THR 27 -17.263 11.371 3.597 196 HG21 THR 27 1HG2 THR 27 -18.209 9.175 1.421 197 HG22 THR 27 2HG2 THR 27 -17.013 8.815 2.665 198 HG23 THR 27 3HG2 THR 27 -16.550 8.792 0.964 199 H ILE 28 H ILE 28 -13.388 9.379 1.721 200 HA ILE 28 HA ILE 28 -11.895 10.626 -0.181 201 HB ILE 28 HB ILE 28 -12.500 7.667 -0.115 202 HG12 ILE 28 1HG1 ILE 28 -11.679 8.368 2.033 203 HG13 ILE 28 2HG1 ILE 28 -10.356 7.572 1.188 204 HG21 ILE 28 1HG2 ILE 28 -11.424 7.905 -2.126 205 HG22 ILE 28 2HG2 ILE 28 -10.508 9.314 -1.594 206 HG23 ILE 28 3HG2 ILE 28 -10.046 7.704 -1.044 207 HD11 ILE 28 1HD1 ILE 28 -9.565 9.541 2.332 208 HD12 ILE 28 2HD1 ILE 28 -9.449 9.771 0.587 209 HD13 ILE 28 3HD1 ILE 28 -10.752 10.539 1.493 210 H CYS 29 H CYS 29 -13.129 11.811 -1.642 211 HA CYS 29 HA CYS 29 -15.158 10.656 -3.265 212 HB2 CYS 29 1HB CYS 29 -15.001 13.086 -2.751 213 HB3 CYS 29 2HB CYS 29 -13.563 13.177 -3.761 214 HG CYS 29 HG CYS 29 -15.613 14.279 -5.237 215 H ASP 30 H ASP 30 -11.742 11.427 -3.806 216 HA ASP 30 HA ASP 30 -11.860 9.886 -6.313 217 HB2 ASP 30 1HB ASP 30 -9.682 11.110 -6.829 218 HB3 ASP 30 2HB ASP 30 -11.152 12.081 -6.842 219 HA PRO 31 HA PRO 31 -9.477 7.235 -3.397 220 HB2 PRO 31 1HB PRO 31 -10.444 4.903 -4.395 221 HB3 PRO 31 2HB PRO 31 -11.290 5.843 -3.160 222 HG2 PRO 31 1HG PRO 31 -11.761 5.738 -6.114 223 HG3 PRO 31 2HG PRO 31 -12.943 5.738 -4.792 224 HD2 PRO 31 1HD PRO 31 -12.357 7.962 -6.221 225 HD3 PRO 31 2HD PRO 31 -12.812 8.021 -4.507 226 H GLU 32 H GLU 32 -10.018 6.894 -6.883 227 HA GLU 32 HA GLU 32 -7.891 5.205 -7.492 228 HB2 GLU 32 1HB GLU 32 -9.597 5.718 -9.129 229 HB3 GLU 32 2HB GLU 32 -9.133 7.414 -9.136 230 HG2 GLU 32 1HG GLU 32 -6.921 6.759 -10.031 231 HG3 GLU 32 2HG GLU 32 -7.493 5.094 -10.126 232 H GLU 33 H GLU 33 -7.985 8.743 -7.284 233 HA GLU 33 HA GLU 33 -5.167 8.970 -7.884 234 HB2 GLU 33 1HB GLU 33 -7.347 10.927 -7.225 235 HB3 GLU 33 2HB GLU 33 -5.663 11.430 -7.215 236 HG2 GLU 33 1HG GLU 33 -6.401 11.991 -9.340 237 HG3 GLU 33 2HG GLU 33 -5.552 10.464 -9.579 238 H PHE 34 H PHE 34 -7.212 9.806 -5.083 239 HA PHE 34 HA PHE 34 -5.378 10.596 -3.263 240 HB2 PHE 34 1HB PHE 34 -7.772 10.447 -2.767 241 HB3 PHE 34 2HB PHE 34 -7.667 8.690 -2.730 242 HD1 PHE 34 2HD PHE 34 -6.760 11.792 -0.986 243 HD2 PHE 34 1HD PHE 34 -6.799 7.539 -0.829 244 HE1 PHE 34 2HE PHE 34 -6.239 11.880 1.416 245 HE2 PHE 34 1HE PHE 34 -6.278 7.620 1.575 246 HZ PHE 34 HZ PHE 34 -5.996 9.793 2.700 247 H LEU 35 H LEU 35 -6.259 7.188 -3.822 248 HA LEU 35 HA LEU 35 -4.499 6.002 -2.052 249 HB2 LEU 35 1HB LEU 35 -5.810 5.161 -4.575 250 HB3 LEU 35 2HB LEU 35 -4.485 4.163 -3.979 251 HG LEU 35 HG LEU 35 -6.921 4.855 -2.344 252 HD11 LEU 35 1HD1 LEU 35 -6.504 2.160 -3.530 253 HD12 LEU 35 2HD1 LEU 35 -7.177 3.435 -4.545 254 HD13 LEU 35 3HD1 LEU 35 -7.997 2.970 -3.055 255 HD21 LEU 35 1HD2 LEU 35 -6.061 2.671 -1.212 256 HD22 LEU 35 2HD2 LEU 35 -5.297 4.216 -0.837 257 HD23 LEU 35 3HD2 LEU 35 -4.529 3.105 -1.972 258 H LYS 36 H LYS 36 -3.940 6.537 -5.535 259 HA LYS 36 HA LYS 36 -1.307 5.692 -5.646 260 HB2 LYS 36 1HB LYS 36 -2.560 7.949 -7.222 261 HB3 LYS 36 2HB LYS 36 -1.097 7.076 -7.660 262 HG2 LYS 36 1HG LYS 36 -2.241 5.202 -8.308 263 HG3 LYS 36 2HG LYS 36 -3.611 5.538 -7.247 264 HD2 LYS 36 1HD LYS 36 -4.462 5.977 -9.367 265 HD3 LYS 36 2HD LYS 36 -4.005 7.578 -8.780 266 HE2 LYS 36 1HE LYS 36 -2.256 5.848 -10.522 267 HE3 LYS 36 2HE LYS 36 -3.327 7.106 -11.137 268 HZ1 LYS 36 1HZ LYS 36 -0.743 7.352 -9.956 269 HZ2 LYS 36 2HZ LYS 36 -1.875 8.333 -9.171 270 HZ3 LYS 36 3HZ LYS 36 -1.633 8.489 -10.838 271 H SER 37 H SER 37 -2.630 8.673 -4.428 272 HA SER 37 HA SER 37 -0.069 10.007 -4.306 273 HB2 SER 37 1HB SER 37 -2.845 10.724 -3.377 274 HB3 SER 37 2HB SER 37 -1.445 11.710 -2.956 275 HG SER 37 HG SER 37 -1.978 10.991 -5.632 276 H SER 38 H SER 38 -2.085 8.089 -2.222 277 HA SER 38 HA SER 38 -0.690 8.809 0.196 278 HB2 SER 38 1HB SER 38 -2.137 7.265 1.305 279 HB3 SER 38 2HB SER 38 -3.117 8.081 0.086 280 HG SER 38 HG SER 38 -3.276 5.699 0.233 281 H LEU 39 H LEU 39 -0.526 6.284 -2.213 282 HA LEU 39 HA LEU 39 1.354 4.714 -0.651 283 HB2 LEU 39 1HB LEU 39 0.570 4.269 -3.517 284 HB3 LEU 39 2HB LEU 39 1.237 3.101 -2.379 285 HG LEU 39 HG LEU 39 -1.462 4.336 -1.937 286 HD11 LEU 39 1HD1 LEU 39 -0.844 1.874 -3.562 287 HD12 LEU 39 2HD1 LEU 39 -1.516 3.385 -4.172 288 HD13 LEU 39 3HD1 LEU 39 -2.450 2.394 -3.052 289 HD21 LEU 39 1HD2 LEU 39 -0.115 2.993 -0.191 290 HD22 LEU 39 2HD2 LEU 39 -0.540 1.591 -1.175 291 HD23 LEU 39 3HD2 LEU 39 -1.809 2.583 -0.456 292 H LYS 40 H LYS 40 1.355 7.027 -3.250 293 HA LYS 40 HA LYS 40 3.612 6.716 -4.640 294 HB2 LYS 40 1HB LYS 40 2.238 8.708 -4.856 295 HB3 LYS 40 2HB LYS 40 2.755 9.273 -3.273 296 HG2 LYS 40 1HG LYS 40 4.910 9.773 -4.026 297 HG3 LYS 40 2HG LYS 40 4.720 8.800 -5.486 298 HD2 LYS 40 1HD LYS 40 3.209 10.380 -6.435 299 HD3 LYS 40 2HD LYS 40 3.092 11.270 -4.915 300 HE2 LYS 40 1HE LYS 40 5.400 11.958 -5.096 301 HE3 LYS 40 2HE LYS 40 5.617 10.966 -6.537 302 HZ1 LYS 40 1HZ LYS 40 3.615 12.452 -7.355 303 HZ2 LYS 40 2HZ LYS 40 5.221 12.958 -7.511 304 HZ3 LYS 40 3HZ LYS 40 4.271 13.540 -6.238 305 H ASN 41 H ASN 41 3.727 8.520 -1.561 306 HA ASN 41 HA ASN 41 6.384 8.772 -1.192 307 HB2 ASN 41 1HB ASN 41 4.180 8.205 0.759 308 HB3 ASN 41 2HB ASN 41 5.843 8.300 1.329 309 HD21 ASN 41 1HD2 ASN 41 5.723 10.158 2.459 310 HD22 ASN 41 2HD2 ASN 41 5.365 11.698 1.763 311 H GLY 42 H GLY 42 4.512 5.866 -0.337 312 HA2 GLY 42 1HA GLY 42 5.368 3.667 -0.739 313 HA3 GLY 42 2HA GLY 42 6.996 4.311 -0.587 314 H VAL 43 H VAL 43 6.378 5.832 1.828 315 HA VAL 43 HA VAL 43 7.165 4.037 3.776 316 HB VAL 43 HB VAL 43 7.399 6.382 4.184 317 HG11 VAL 43 1HG1 VAL 43 5.796 7.943 3.935 318 HG12 VAL 43 2HG1 VAL 43 4.986 6.688 2.995 319 HG13 VAL 43 3HG1 VAL 43 4.556 6.940 4.688 320 HG21 VAL 43 1HG2 VAL 43 5.440 5.110 6.089 321 HG22 VAL 43 2HG2 VAL 43 7.201 5.079 6.186 322 HG23 VAL 43 3HG2 VAL 43 6.332 6.594 6.429 323 H VAL 44 H VAL 44 3.891 5.062 2.905 324 HA VAL 44 HA VAL 44 2.482 3.818 4.961 325 HB VAL 44 HB VAL 44 1.640 4.276 2.096 326 HG11 VAL 44 1HG1 VAL 44 -0.216 3.141 2.532 327 HG12 VAL 44 2HG1 VAL 44 0.352 2.796 4.167 328 HG13 VAL 44 3HG1 VAL 44 -0.577 4.261 3.845 329 HG21 VAL 44 1HG2 VAL 44 1.813 6.409 2.807 330 HG22 VAL 44 2HG2 VAL 44 0.270 6.065 3.588 331 HG23 VAL 44 3HG2 VAL 44 1.768 5.957 4.511 332 H LEU 45 H LEU 45 3.515 2.541 1.819 333 HA LEU 45 HA LEU 45 2.262 0.034 2.028 334 HB2 LEU 45 1HB LEU 45 4.645 1.017 0.493 335 HB3 LEU 45 2HB LEU 45 4.124 -0.664 0.409 336 HG LEU 45 HG LEU 45 2.134 1.473 -0.179 337 HD11 LEU 45 1HD1 LEU 45 2.849 1.762 -2.406 338 HD12 LEU 45 2HD1 LEU 45 4.059 0.488 -2.266 339 HD13 LEU 45 3HD1 LEU 45 4.280 2.011 -1.406 340 HD21 LEU 45 1HD2 LEU 45 2.502 -1.399 -0.625 341 HD22 LEU 45 2HD2 LEU 45 1.881 -0.517 -2.021 342 HD23 LEU 45 3HD2 LEU 45 1.022 -0.450 -0.481 343 H CYS 46 H CYS 46 5.454 1.161 3.045 344 HA CYS 46 HA CYS 46 6.464 -1.354 3.832 345 HB2 CYS 46 1HB CYS 46 7.174 1.455 4.684 346 HB3 CYS 46 2HB CYS 46 8.058 0.034 5.225 347 HG CYS 46 HG CYS 46 7.732 0.949 1.943 348 H LYS 47 H LYS 47 4.577 1.095 5.510 349 HA LYS 47 HA LYS 47 4.795 -0.045 8.098 350 HB2 LYS 47 1HB LYS 47 2.813 1.866 6.868 351 HB3 LYS 47 2HB LYS 47 2.720 1.359 8.550 352 HG2 LYS 47 1HG LYS 47 5.214 2.161 8.606 353 HG3 LYS 47 2HG LYS 47 4.716 3.106 7.201 354 HD2 LYS 47 1HD LYS 47 2.807 3.972 8.583 355 HD3 LYS 47 2HD LYS 47 3.547 3.184 9.978 356 HE2 LYS 47 1HE LYS 47 4.469 5.254 10.198 357 HE3 LYS 47 2HE LYS 47 5.672 4.524 9.136 358 HZ1 LYS 47 1HZ LYS 47 4.038 5.476 7.318 359 HZ2 LYS 47 2HZ LYS 47 5.267 6.422 7.993 360 HZ3 LYS 47 3HZ LYS 47 3.678 6.576 8.552 361 H LEU 48 H LEU 48 2.705 -0.628 5.369 362 HA LEU 48 HA LEU 48 0.667 -2.039 6.735 363 HB2 LEU 48 1HB LEU 48 0.152 -1.237 4.586 364 HB3 LEU 48 2HB LEU 48 1.586 -1.976 3.878 365 HG LEU 48 HG LEU 48 0.530 -4.213 4.309 366 HD11 LEU 48 1HD1 LEU 48 -1.529 -4.456 5.192 367 HD12 LEU 48 2HD1 LEU 48 -2.132 -2.961 4.478 368 HD13 LEU 48 3HD1 LEU 48 -1.156 -2.906 5.945 369 HD21 LEU 48 1HD2 LEU 48 0.230 -2.463 2.217 370 HD22 LEU 48 2HD2 LEU 48 -1.434 -2.922 2.580 371 HD23 LEU 48 3HD2 LEU 48 -0.236 -4.164 2.210 372 H ILE 49 H ILE 49 3.026 -3.437 4.460 373 HA ILE 49 HA ILE 49 2.753 -6.070 5.091 374 HB ILE 49 HB ILE 49 4.212 -5.296 3.292 375 HG12 ILE 49 1HG1 ILE 49 6.274 -6.787 3.978 376 HG13 ILE 49 2HG1 ILE 49 5.272 -7.168 5.374 377 HG21 ILE 49 1HG2 ILE 49 5.220 -3.396 4.458 378 HG22 ILE 49 2HG2 ILE 49 6.127 -4.507 5.483 379 HG23 ILE 49 3HG2 ILE 49 6.448 -4.444 3.750 380 HD11 ILE 49 1HD1 ILE 49 5.158 -8.737 3.383 381 HD12 ILE 49 2HD1 ILE 49 3.627 -8.174 4.054 382 HD13 ILE 49 3HD1 ILE 49 4.256 -7.458 2.571 383 H ASN 50 H ASN 50 4.547 -3.640 6.890 384 HA ASN 50 HA ASN 50 5.917 -5.361 8.639 385 HB2 ASN 50 1HB ASN 50 5.101 -2.480 8.740 386 HB3 ASN 50 2HB ASN 50 5.767 -3.241 10.182 387 HD21 ASN 50 1HD2 ASN 50 7.121 -1.187 9.200 388 HD22 ASN 50 2HD2 ASN 50 8.563 -1.703 8.400 389 H ARG 51 H ARG 51 2.696 -3.934 8.779 390 HA ARG 51 HA ARG 51 2.126 -4.841 11.425 391 HB2 ARG 51 1HB ARG 51 1.007 -2.929 10.086 392 HB3 ARG 51 2HB ARG 51 0.034 -4.203 9.365 393 HG2 ARG 51 1HG ARG 51 -1.316 -3.553 11.089 394 HG3 ARG 51 2HG ARG 51 -0.412 -4.859 11.858 395 HD2 ARG 51 1HD ARG 51 0.699 -2.106 12.007 396 HD3 ARG 51 2HD ARG 51 -0.703 -2.489 13.005 397 HE ARG 51 HE ARG 51 1.388 -4.432 13.230 398 HH11 ARG 51 1HH1 ARG 51 0.262 -1.337 14.356 399 HH12 ARG 51 2HH1 ARG 51 1.108 -1.432 15.866 400 HH21 ARG 51 1HH2 ARG 51 2.506 -4.570 15.213 401 HH22 ARG 51 2HH2 ARG 51 2.384 -3.272 16.352 402 H LEU 52 H LEU 52 1.638 -6.126 8.196 403 HA LEU 52 HA LEU 52 -0.095 -8.248 8.951 404 HB2 LEU 52 1HB LEU 52 1.745 -8.232 6.574 405 HB3 LEU 52 2HB LEU 52 0.217 -9.091 6.758 406 HG LEU 52 HG LEU 52 0.524 -6.097 6.524 407 HD11 LEU 52 1HD1 LEU 52 -0.017 -6.243 4.303 408 HD12 LEU 52 2HD1 LEU 52 -0.796 -7.815 4.480 409 HD13 LEU 52 3HD1 LEU 52 0.963 -7.697 4.495 410 HD21 LEU 52 1HD2 LEU 52 -1.731 -7.882 7.176 411 HD22 LEU 52 2HD2 LEU 52 -2.059 -6.625 5.982 412 HD23 LEU 52 3HD2 LEU 52 -1.465 -6.187 7.585 413 H MET 53 H MET 53 3.399 -8.100 8.297 414 HA MET 53 HA MET 53 3.685 -10.616 9.803 415 HB2 MET 53 1HB MET 53 5.195 -9.700 7.354 416 HB3 MET 53 2HB MET 53 5.708 -11.047 8.362 417 HG2 MET 53 1HG MET 53 2.982 -10.959 7.123 418 HG3 MET 53 2HG MET 53 4.385 -11.568 6.247 419 HE1 MET 53 1HE MET 53 5.409 -13.868 6.536 420 HE2 MET 53 2HE MET 53 4.315 -15.138 7.084 421 HE3 MET 53 3HE MET 53 3.790 -13.993 5.848 422 HA PRO 54 HA PRO 54 6.279 -8.242 12.476 423 HB2 PRO 54 1HB PRO 54 7.450 -10.312 13.785 424 HB3 PRO 54 2HB PRO 54 5.782 -9.808 14.082 425 HG2 PRO 54 1HG PRO 54 6.810 -12.057 12.395 426 HG3 PRO 54 2HG PRO 54 5.438 -12.038 13.518 427 HD2 PRO 54 1HD PRO 54 5.129 -11.819 10.837 428 HD3 PRO 54 2HD PRO 54 4.041 -11.023 11.992 429 H GLY 55 H GLY 55 7.916 -7.224 11.444 430 HA2 GLY 55 1HA GLY 55 10.185 -6.920 10.988 431 HA3 GLY 55 2HA GLY 55 10.427 -8.652 11.165 432 H SER 56 H SER 56 8.491 -6.558 9.019 433 HA SER 56 HA SER 56 9.196 -8.274 6.770 434 HB2 SER 56 1HB SER 56 7.251 -5.971 7.024 435 HB3 SER 56 2HB SER 56 7.532 -6.863 5.529 436 HG SER 56 HG SER 56 6.902 -8.292 7.852 437 H VAL 57 H VAL 57 9.273 -4.804 7.571 438 HA VAL 57 HA VAL 57 11.310 -4.434 5.481 439 HB VAL 57 HB VAL 57 9.487 -2.437 6.822 440 HG11 VAL 57 1HG1 VAL 57 11.926 -2.060 5.150 441 HG12 VAL 57 2HG1 VAL 57 10.580 -0.932 4.972 442 HG13 VAL 57 3HG1 VAL 57 11.360 -1.137 6.541 443 HG21 VAL 57 1HG2 VAL 57 9.573 -2.638 3.901 444 HG22 VAL 57 2HG2 VAL 57 8.985 -4.089 4.711 445 HG23 VAL 57 3HG2 VAL 57 8.191 -2.540 4.992 446 H GLU 58 H GLU 58 13.349 -4.170 6.086 447 HA GLU 58 HA GLU 58 14.237 -4.219 8.720 448 HB2 GLU 58 1HB GLU 58 15.560 -3.309 6.172 449 HB3 GLU 58 2HB GLU 58 16.408 -3.298 7.712 450 HG2 GLU 58 1HG GLU 58 15.934 -5.725 7.925 451 HG3 GLU 58 2HG GLU 58 15.249 -5.688 6.302 452 H LYS 59 H LYS 59 14.589 -1.409 6.554 453 HA LYS 59 HA LYS 59 13.667 0.369 8.659 454 HB2 LYS 59 1HB LYS 59 16.480 0.383 7.585 455 HB3 LYS 59 2HB LYS 59 15.751 1.818 8.293 456 HG2 LYS 59 1HG LYS 59 15.895 -0.796 9.761 457 HG3 LYS 59 2HG LYS 59 17.199 0.393 9.807 458 HD2 LYS 59 1HD LYS 59 14.415 1.281 10.401 459 HD3 LYS 59 2HD LYS 59 15.306 0.385 11.634 460 HE2 LYS 59 1HE LYS 59 15.812 2.594 12.131 461 HE3 LYS 59 2HE LYS 59 17.197 2.082 11.168 462 HZ1 LYS 59 1HZ LYS 59 16.707 3.542 9.577 463 HZ2 LYS 59 2HZ LYS 59 15.679 4.277 10.701 464 HZ3 LYS 59 3HZ LYS 59 15.057 3.165 9.589 465 H PHE 60 H PHE 60 12.241 1.635 7.684 466 HA PHE 60 HA PHE 60 12.781 2.492 4.918 467 HB2 PHE 60 1HB PHE 60 10.339 2.712 4.648 468 HB3 PHE 60 2HB PHE 60 10.805 1.066 5.064 469 HD1 PHE 60 2HD PHE 60 10.679 0.437 7.572 470 HD2 PHE 60 1HD PHE 60 8.677 3.774 5.847 471 HE1 PHE 60 2HE PHE 60 9.110 0.471 9.466 472 HE2 PHE 60 1HE PHE 60 7.105 3.813 7.739 473 HZ PHE 60 HZ PHE 60 7.320 2.160 9.552 474 H CYS 61 H CYS 61 11.649 4.604 4.364 475 HA CYS 61 HA CYS 61 12.386 6.552 6.396 476 HB2 CYS 61 1HB CYS 61 12.932 6.602 3.819 477 HB3 CYS 61 2HB CYS 61 11.329 7.318 3.704 478 HG CYS 61 HG CYS 61 13.879 8.584 5.606 479 H LEU 62 H LEU 62 10.941 7.358 7.753 480 HA LEU 62 HA LEU 62 8.134 6.905 7.411 481 HB2 LEU 62 1HB LEU 62 9.749 8.409 9.452 482 HB3 LEU 62 2HB LEU 62 7.989 8.340 9.499 483 HG LEU 62 HG LEU 62 9.775 5.913 9.616 484 HD11 LEU 62 1HD1 LEU 62 9.672 7.781 11.562 485 HD12 LEU 62 2HD1 LEU 62 9.910 6.059 11.855 486 HD13 LEU 62 3HD1 LEU 62 8.302 6.766 12.014 487 HD21 LEU 62 1HD2 LEU 62 7.912 4.705 9.539 488 HD22 LEU 62 2HD2 LEU 62 7.057 6.176 9.075 489 HD23 LEU 62 3HD2 LEU 62 7.139 5.701 10.772 490 H ASP 63 H ASP 63 10.283 9.694 7.161 491 HA ASP 63 HA ASP 63 8.112 11.147 5.813 492 HB2 ASP 63 1HB ASP 63 9.983 12.217 7.929 493 HB3 ASP 63 2HB ASP 63 9.039 13.255 6.864 494 HA PRO 64 HA PRO 64 11.842 10.979 3.112 495 HB2 PRO 64 1HB PRO 64 10.427 10.650 0.818 496 HB3 PRO 64 2HB PRO 64 10.885 9.302 1.866 497 HG2 PRO 64 1HG PRO 64 8.273 10.753 1.678 498 HG3 PRO 64 2HG PRO 64 8.578 9.012 1.817 499 HD2 PRO 64 1HD PRO 64 7.851 10.536 3.933 500 HD3 PRO 64 2HD PRO 64 8.915 9.124 4.094 501 H GLN 65 H GLN 65 12.447 13.110 3.245 502 HA GLN 65 HA GLN 65 10.769 15.246 2.333 503 HB2 GLN 65 1HB GLN 65 12.735 15.216 4.104 504 HB3 GLN 65 2HB GLN 65 13.710 15.599 2.692 505 HG2 GLN 65 1HG GLN 65 13.177 17.664 3.632 506 HG3 GLN 65 2HG GLN 65 12.076 17.493 2.266 507 HE21 GLN 65 1HE2 GLN 65 12.268 16.848 5.745 508 HE22 GLN 65 2HE2 GLN 65 10.623 17.252 6.086 509 H THR 66 H THR 66 13.052 13.134 0.879 510 HA THR 66 HA THR 66 12.922 14.720 -1.600 511 HB THR 66 HB THR 66 15.168 13.936 -2.199 512 HG1 THR 66 1HG THR 66 14.880 12.069 -0.574 513 HG21 THR 66 1HG2 THR 66 16.002 15.012 0.314 514 HG22 THR 66 2HG2 THR 66 14.528 15.832 -0.200 515 HG23 THR 66 3HG2 THR 66 15.936 15.803 -1.260 516 H GLU 67 H GLU 67 13.640 13.244 -3.524 517 HA GLU 67 HA GLU 67 11.715 11.189 -3.745 518 HB2 GLU 67 1HB GLU 67 12.247 12.176 -5.779 519 HB3 GLU 67 2HB GLU 67 13.975 12.153 -5.455 520 HG2 GLU 67 1HG GLU 67 14.073 9.787 -5.848 521 HG3 GLU 67 2HG GLU 67 12.320 9.703 -6.011 522 H ALA 68 H ALA 68 15.278 11.001 -3.709 523 HA ALA 68 HA ALA 68 15.719 8.340 -3.802 524 HB1 ALA 68 1HB ALA 68 17.669 9.513 -3.611 525 HB2 ALA 68 2HB ALA 68 17.062 10.526 -2.300 526 HB3 ALA 68 3HB ALA 68 17.549 8.863 -1.976 527 H ASP 69 H ASP 69 14.413 10.114 -1.068 528 HA ASP 69 HA ASP 69 14.539 7.906 0.752 529 HB2 ASP 69 1HB ASP 69 13.208 10.602 0.806 530 HB3 ASP 69 2HB ASP 69 12.879 9.407 2.058 531 H CYS 70 H CYS 70 12.014 9.368 -1.253 532 HA CYS 70 HA CYS 70 9.889 7.753 -0.354 533 HB2 CYS 70 1HB CYS 70 10.381 9.437 -2.778 534 HB3 CYS 70 2HB CYS 70 8.996 8.352 -2.762 535 HG CYS 70 HG CYS 70 8.584 11.205 -2.009 536 H ILE 71 H ILE 71 11.910 7.476 -3.278 537 HA ILE 71 HA ILE 71 10.840 5.149 -4.314 538 HB ILE 71 HB ILE 71 13.728 6.030 -4.374 539 HG12 ILE 71 1HG1 ILE 71 12.135 7.671 -5.303 540 HG13 ILE 71 2HG1 ILE 71 13.167 6.984 -6.552 541 HG21 ILE 71 1HG2 ILE 71 12.248 3.905 -5.894 542 HG22 ILE 71 2HG2 ILE 71 13.728 4.640 -6.509 543 HG23 ILE 71 3HG2 ILE 71 13.749 3.761 -4.980 544 HD11 ILE 71 1HD1 ILE 71 11.182 5.328 -6.875 545 HD12 ILE 71 2HD1 ILE 71 10.257 6.598 -6.074 546 HD13 ILE 71 3HD1 ILE 71 11.120 6.947 -7.571 547 H ASN 72 H ASN 72 13.371 5.519 -1.865 548 HA ASN 72 HA ASN 72 14.142 2.867 -1.600 549 HB2 ASN 72 1HB ASN 72 14.000 5.108 0.416 550 HB3 ASN 72 2HB ASN 72 14.671 3.527 0.809 551 HD21 ASN 72 1HD2 ASN 72 16.074 5.974 0.892 552 HD22 ASN 72 2HD2 ASN 72 17.345 5.896 -0.277 553 H ASN 73 H ASN 73 11.526 4.601 0.064 554 HA ASN 73 HA ASN 73 10.664 2.571 1.746 555 HB2 ASN 73 1HB ASN 73 8.983 4.668 0.354 556 HB3 ASN 73 2HB ASN 73 8.481 3.724 1.753 557 HD21 ASN 73 1HD2 ASN 73 8.209 6.131 2.348 558 HD22 ASN 73 2HD2 ASN 73 9.530 6.826 3.219 559 H ILE 74 H ILE 74 9.272 3.408 -1.432 560 HA ILE 74 HA ILE 74 7.467 1.389 -1.729 561 HB ILE 74 HB ILE 74 9.282 2.535 -3.850 562 HG12 ILE 74 1HG1 ILE 74 6.371 3.145 -3.368 563 HG13 ILE 74 2HG1 ILE 74 7.649 4.023 -2.535 564 HG21 ILE 74 1HG2 ILE 74 7.566 1.721 -5.452 565 HG22 ILE 74 2HG2 ILE 74 8.459 0.430 -4.650 566 HG23 ILE 74 3HG2 ILE 74 6.820 0.822 -4.131 567 HD11 ILE 74 1HD1 ILE 74 6.568 4.820 -4.845 568 HD12 ILE 74 2HD1 ILE 74 8.228 5.185 -4.374 569 HD13 ILE 74 3HD1 ILE 74 7.896 3.839 -5.464 570 H ASN 75 H ASN 75 10.909 1.221 -2.631 571 HA ASN 75 HA ASN 75 10.919 -1.417 -3.539 572 HB2 ASN 75 1HB ASN 75 12.985 0.477 -2.531 573 HB3 ASN 75 2HB ASN 75 13.424 -1.226 -2.630 574 HD21 ASN 75 1HD2 ASN 75 12.479 1.602 -4.420 575 HD22 ASN 75 2HD2 ASN 75 12.948 1.019 -5.978 576 H ASP 76 H ASP 76 11.667 -0.144 -0.302 577 HA ASP 76 HA ASP 76 12.339 -2.461 1.003 578 HB2 ASP 76 1HB ASP 76 11.044 0.082 1.844 579 HB3 ASP 76 2HB ASP 76 10.996 -1.263 2.980 580 H PHE 77 H PHE 77 9.054 -1.138 0.627 581 HA PHE 77 HA PHE 77 7.618 -3.063 1.963 582 HB2 PHE 77 1HB PHE 77 6.306 -1.303 1.239 583 HB3 PHE 77 2HB PHE 77 7.009 -1.304 -0.375 584 HD1 PHE 77 1HD PHE 77 5.045 -3.618 1.800 585 HD2 PHE 77 2HD PHE 77 5.635 -1.967 -2.078 586 HE1 PHE 77 1HE PHE 77 3.114 -4.895 0.967 587 HE2 PHE 77 2HE PHE 77 3.704 -3.240 -2.918 588 HZ PHE 77 HZ PHE 77 2.440 -4.706 -1.395 589 H LEU 78 H LEU 78 8.511 -3.094 -1.484 590 HA LEU 78 HA LEU 78 7.363 -5.473 -2.246 591 HB2 LEU 78 1HB LEU 78 10.008 -4.308 -3.096 592 HB3 LEU 78 2HB LEU 78 9.196 -5.637 -3.921 593 HG LEU 78 HG LEU 78 7.950 -2.916 -3.596 594 HD11 LEU 78 1HD1 LEU 78 8.915 -2.147 -5.508 595 HD12 LEU 78 2HD1 LEU 78 9.151 -3.762 -6.174 596 HD13 LEU 78 3HD1 LEU 78 10.232 -3.160 -4.918 597 HD21 LEU 78 1HD2 LEU 78 7.325 -4.700 -5.857 598 HD22 LEU 78 2HD2 LEU 78 6.264 -3.680 -4.884 599 HD23 LEU 78 3HD2 LEU 78 6.787 -5.249 -4.270 600 H LYS 79 H LYS 79 10.631 -5.021 -0.906 601 HA LYS 79 HA LYS 79 11.680 -7.493 -0.933 602 HB2 LYS 79 1HB LYS 79 11.634 -5.687 1.493 603 HB3 LYS 79 2HB LYS 79 12.771 -7.001 1.222 604 HG2 LYS 79 1HG LYS 79 12.526 -4.757 -0.743 605 HG3 LYS 79 2HG LYS 79 13.511 -4.593 0.713 606 HD2 LYS 79 1HD LYS 79 15.010 -6.226 0.037 607 HD3 LYS 79 2HD LYS 79 13.852 -6.975 -1.065 608 HE2 LYS 79 1HE LYS 79 14.975 -4.218 -1.499 609 HE3 LYS 79 2HE LYS 79 15.746 -5.672 -2.130 610 HZ1 LYS 79 1HZ LYS 79 14.176 -4.452 -3.668 611 HZ2 LYS 79 2HZ LYS 79 12.915 -5.025 -2.698 612 HZ3 LYS 79 3HZ LYS 79 13.923 -6.117 -3.507 613 H GLY 80 H GLY 80 8.932 -6.483 0.972 614 HA2 GLY 80 1HA GLY 80 8.878 -8.963 2.489 615 HA3 GLY 80 2HA GLY 80 7.738 -7.632 2.621 616 H CYS 81 H CYS 81 7.070 -7.444 -0.138 617 HA CYS 81 HA CYS 81 4.904 -9.135 -0.317 618 HB2 CYS 81 1HB CYS 81 4.558 -8.288 -2.445 619 HB3 CYS 81 2HB CYS 81 5.593 -7.051 -1.743 620 HG CYS 81 HG CYS 81 7.904 -7.880 -3.015 621 H ALA 82 H ALA 82 8.181 -9.630 -1.528 622 HA ALA 82 HA ALA 82 7.870 -11.851 -3.109 623 HB1 ALA 82 1HB ALA 82 10.043 -11.282 -3.163 624 HB2 ALA 82 2HB ALA 82 10.052 -10.742 -1.484 625 HB3 ALA 82 3HB ALA 82 10.196 -12.459 -1.859 626 H THR 83 H THR 83 8.034 -11.710 0.420 627 HA THR 83 HA THR 83 8.205 -14.409 1.012 628 HB THR 83 HB THR 83 6.611 -12.336 2.532 629 HG1 THR 83 1HG THR 83 8.693 -12.391 3.785 630 HG21 THR 83 1HG2 THR 83 7.285 -15.152 3.042 631 HG22 THR 83 2HG2 THR 83 5.998 -14.153 3.717 632 HG23 THR 83 3HG2 THR 83 7.630 -14.053 4.377 633 H LEU 84 H LEU 84 5.245 -12.462 0.621 634 HA LEU 84 HA LEU 84 3.497 -14.695 0.866 635 HB2 LEU 84 1HB LEU 84 2.968 -11.995 -0.366 636 HB3 LEU 84 2HB LEU 84 1.752 -13.165 0.143 637 HG LEU 84 HG LEU 84 3.673 -12.107 2.165 638 HD11 LEU 84 1HD1 LEU 84 2.993 -10.007 1.998 639 HD12 LEU 84 2HD1 LEU 84 1.320 -10.525 2.205 640 HD13 LEU 84 3HD1 LEU 84 2.018 -10.428 0.589 641 HD21 LEU 84 1HD2 LEU 84 1.923 -13.948 2.518 642 HD22 LEU 84 2HD2 LEU 84 0.735 -12.646 2.446 643 HD23 LEU 84 3HD2 LEU 84 1.986 -12.632 3.690 644 H GLN 85 H GLN 85 5.509 -13.662 -1.618 645 HA GLN 85 HA GLN 85 5.730 -14.196 -3.821 646 HB2 GLN 85 1HB GLN 85 4.000 -16.575 -3.141 647 HB3 GLN 85 2HB GLN 85 5.170 -16.449 -4.447 648 HG2 GLN 85 1HG GLN 85 6.060 -16.127 -1.618 649 HG3 GLN 85 2HG GLN 85 5.772 -17.736 -2.278 650 HE21 GLN 85 1HE2 GLN 85 7.695 -18.593 -2.641 651 HE22 GLN 85 2HE2 GLN 85 8.991 -17.841 -3.501 652 H VAL 86 H VAL 86 3.766 -12.331 -3.382 653 HA VAL 86 HA VAL 86 1.557 -13.141 -5.148 654 HB VAL 86 HB VAL 86 0.361 -11.160 -4.309 655 HG11 VAL 86 1HG1 VAL 86 1.188 -12.483 -1.800 656 HG12 VAL 86 2HG1 VAL 86 -0.422 -12.246 -2.484 657 HG13 VAL 86 3HG1 VAL 86 0.615 -13.536 -3.093 658 HG21 VAL 86 1HG2 VAL 86 2.611 -10.831 -2.336 659 HG22 VAL 86 2HG2 VAL 86 2.463 -9.867 -3.805 660 HG23 VAL 86 3HG2 VAL 86 1.210 -9.785 -2.567 661 H GLU 87 H GLU 87 0.672 -11.151 -6.422 662 HA GLU 87 HA GLU 87 2.435 -10.512 -8.434 663 HB2 GLU 87 1HB GLU 87 -0.051 -9.110 -7.473 664 HB3 GLU 87 2HB GLU 87 0.840 -8.555 -8.884 665 HG2 GLU 87 1HG GLU 87 0.014 -11.409 -8.734 666 HG3 GLU 87 2HG GLU 87 -1.192 -10.184 -9.122 667 H ILE 88 H ILE 88 3.327 -8.404 -9.066 668 HA ILE 88 HA ILE 88 3.953 -6.590 -6.868 669 HB ILE 88 HB ILE 88 6.371 -6.595 -7.466 670 HG12 ILE 88 1HG1 ILE 88 6.026 -9.279 -8.727 671 HG13 ILE 88 2HG1 ILE 88 5.727 -7.852 -9.714 672 HG21 ILE 88 1HG2 ILE 88 6.910 -8.337 -6.024 673 HG22 ILE 88 2HG2 ILE 88 5.246 -7.951 -5.586 674 HG23 ILE 88 3HG2 ILE 88 5.588 -9.353 -6.600 675 HD11 ILE 88 1HD1 ILE 88 7.902 -7.827 -10.125 676 HD12 ILE 88 2HD1 ILE 88 8.133 -7.320 -8.451 677 HD13 ILE 88 3HD1 ILE 88 8.221 -9.030 -8.875 678 H PHE 89 H PHE 89 5.656 -4.884 -7.935 679 HA PHE 89 HA PHE 89 5.051 -4.249 -10.674 680 HB2 PHE 89 1HB PHE 89 4.076 -1.999 -10.102 681 HB3 PHE 89 2HB PHE 89 3.030 -3.369 -9.741 682 HD1 PHE 89 1HD PHE 89 5.344 -0.911 -8.232 683 HD2 PHE 89 2HD PHE 89 2.255 -3.761 -7.561 684 HE1 PHE 89 1HE PHE 89 5.129 -0.126 -5.910 685 HE2 PHE 89 2HE PHE 89 2.035 -2.981 -5.238 686 HZ PHE 89 HZ PHE 89 3.473 -1.161 -4.410 687 H ASP 90 H ASP 90 5.873 -1.813 -11.033 688 HA ASP 90 HA ASP 90 8.590 -1.798 -9.938 689 HB2 ASP 90 1HB ASP 90 7.332 -0.645 -12.408 690 HB3 ASP 90 2HB ASP 90 8.860 -0.004 -11.811 691 HA PRO 91 HA PRO 91 7.925 1.737 -7.422 692 HB2 PRO 91 1HB PRO 91 10.377 2.897 -7.523 693 HB3 PRO 91 2HB PRO 91 10.055 1.410 -6.624 694 HG2 PRO 91 1HG PRO 91 11.266 1.756 -9.339 695 HG3 PRO 91 2HG PRO 91 11.760 0.676 -8.023 696 HD2 PRO 91 1HD PRO 91 10.313 -0.181 -10.146 697 HD3 PRO 91 2HD PRO 91 10.137 -0.882 -8.524 698 H ASP 92 H ASP 92 8.593 1.988 -10.736 699 HA ASP 92 HA ASP 92 8.544 4.887 -10.827 700 HB2 ASP 92 1HB ASP 92 8.411 2.951 -13.144 701 HB3 ASP 92 2HB ASP 92 8.846 4.657 -13.202 702 H ASP 93 H ASP 93 6.406 2.179 -11.524 703 HA ASP 93 HA ASP 93 4.347 3.576 -12.805 704 HB2 ASP 93 1HB ASP 93 3.115 1.642 -12.626 705 HB3 ASP 93 2HB ASP 93 4.732 0.998 -12.355 706 H LEU 94 H LEU 94 4.654 2.693 -9.365 707 HA LEU 94 HA LEU 94 2.348 4.122 -8.549 708 HB2 LEU 94 1HB LEU 94 3.135 2.355 -7.172 709 HB3 LEU 94 2HB LEU 94 4.739 3.076 -7.053 710 HG LEU 94 HG LEU 94 3.719 4.942 -5.741 711 HD11 LEU 94 1HD1 LEU 94 1.527 4.989 -5.119 712 HD12 LEU 94 2HD1 LEU 94 1.338 3.240 -5.237 713 HD13 LEU 94 3HD1 LEU 94 1.364 4.224 -6.700 714 HD21 LEU 94 1HD2 LEU 94 3.097 2.366 -4.363 715 HD22 LEU 94 2HD2 LEU 94 3.898 3.809 -3.740 716 HD23 LEU 94 3HD2 LEU 94 4.756 2.729 -4.841 717 H TYR 95 H TYR 95 5.803 4.848 -8.024 718 HA TYR 95 HA TYR 95 5.615 7.310 -6.870 719 HB2 TYR 95 1HB TYR 95 7.719 5.994 -7.428 720 HB3 TYR 95 2HB TYR 95 7.633 6.711 -9.033 721 HD1 TYR 95 2HD TYR 95 7.131 8.096 -5.595 722 HD2 TYR 95 1HD TYR 95 9.276 8.313 -9.264 723 HE1 TYR 95 2HE TYR 95 8.333 10.077 -4.769 724 HE2 TYR 95 1HE TYR 95 10.484 10.293 -8.447 725 HH TYR 95 HH TYR 95 9.666 11.806 -5.373 726 H SER 96 H SER 96 6.266 6.992 -10.360 727 HA SER 96 HA SER 96 5.492 9.645 -10.944 728 HB2 SER 96 1HB SER 96 5.882 7.216 -12.698 729 HB3 SER 96 2HB SER 96 5.488 8.809 -13.344 730 HG SER 96 HG SER 96 7.676 8.430 -11.603 731 H GLY 97 H GLY 97 3.871 6.576 -11.797 732 HA2 GLY 97 1HA GLY 97 1.469 6.424 -11.183 733 HA3 GLY 97 2HA GLY 97 1.319 8.069 -11.784 734 H VAL 98 H VAL 98 3.046 5.313 -13.198 735 HA VAL 98 HA VAL 98 1.790 5.818 -15.751 736 HB VAL 98 HB VAL 98 3.743 3.658 -14.945 737 HG11 VAL 98 1HG1 VAL 98 4.116 3.403 -17.362 738 HG12 VAL 98 2HG1 VAL 98 2.458 3.012 -16.902 739 HG13 VAL 98 3HG1 VAL 98 2.819 4.557 -17.672 740 HG21 VAL 98 1HG2 VAL 98 5.422 5.095 -15.283 741 HG22 VAL 98 2HG2 VAL 98 4.666 5.779 -16.722 742 HG23 VAL 98 3HG2 VAL 98 4.203 6.359 -15.122 743 H ASN 99 H ASN 99 2.158 2.858 -13.787 744 HA ASN 99 HA ASN 99 -0.529 2.050 -14.686 745 HB2 ASN 99 1HB ASN 99 2.034 0.529 -14.633 746 HB3 ASN 99 2HB ASN 99 0.554 -0.345 -14.249 747 HD21 ASN 99 1HD2 ASN 99 0.636 -1.595 -16.088 748 HD22 ASN 99 2HD2 ASN 99 0.328 -0.957 -17.664 749 H PHE 100 H PHE 100 -1.777 2.397 -12.948 750 HA PHE 100 HA PHE 100 -0.785 1.737 -10.286 751 HB2 PHE 100 1HB PHE 100 -1.917 3.877 -10.534 752 HB3 PHE 100 2HB PHE 100 -3.343 3.077 -11.187 753 HD1 PHE 100 2HD PHE 100 -1.214 2.284 -8.234 754 HD2 PHE 100 1HD PHE 100 -5.060 3.388 -9.685 755 HE1 PHE 100 2HE PHE 100 -2.129 2.072 -5.960 756 HE2 PHE 100 1HE PHE 100 -5.981 3.179 -7.413 757 HZ PHE 100 HZ PHE 100 -4.515 2.519 -5.547 758 H SER 101 H SER 101 -3.323 0.797 -12.550 759 HA SER 101 HA SER 101 -4.963 -0.811 -11.168 760 HB2 SER 101 1HB SER 101 -4.854 -0.493 -13.696 761 HB3 SER 101 2HB SER 101 -3.682 -1.811 -13.713 762 HG SER 101 HG SER 101 -5.323 -3.104 -13.660 763 H LYS 102 H LYS 102 -1.655 -1.641 -12.095 764 HA LYS 102 HA LYS 102 -1.695 -4.299 -11.144 765 HB2 LYS 102 1HB LYS 102 0.548 -2.344 -11.631 766 HB3 LYS 102 2HB LYS 102 0.835 -3.989 -11.081 767 HG2 LYS 102 1HG LYS 102 0.148 -4.920 -13.078 768 HG3 LYS 102 2HG LYS 102 -0.802 -3.502 -13.530 769 HD2 LYS 102 1HD LYS 102 1.011 -3.259 -14.918 770 HD3 LYS 102 2HD LYS 102 1.546 -2.323 -13.521 771 HE2 LYS 102 1HE LYS 102 3.391 -3.648 -14.008 772 HE3 LYS 102 2HE LYS 102 2.589 -4.539 -12.716 773 HZ1 LYS 102 1HZ LYS 102 3.084 -6.140 -14.307 774 HZ2 LYS 102 2HZ LYS 102 2.647 -5.147 -15.605 775 HZ3 LYS 102 3HZ LYS 102 1.453 -5.797 -14.599 776 H VAL 103 H VAL 103 -0.276 -1.371 -9.675 777 HA VAL 103 HA VAL 103 0.559 -2.375 -7.278 778 HB VAL 103 HB VAL 103 -0.856 0.275 -7.583 779 HG11 VAL 103 1HG1 VAL 103 -0.521 -0.028 -5.304 780 HG12 VAL 103 2HG1 VAL 103 1.009 -0.875 -5.541 781 HG13 VAL 103 3HG1 VAL 103 0.915 0.868 -5.799 782 HG21 VAL 103 1HG2 VAL 103 0.774 0.274 -9.272 783 HG22 VAL 103 2HG2 VAL 103 1.533 1.109 -7.916 784 HG23 VAL 103 3HG2 VAL 103 1.946 -0.571 -8.261 785 H LEU 104 H LEU 104 -2.717 -1.210 -8.028 786 HA LEU 104 HA LEU 104 -3.891 -1.566 -5.548 787 HB2 LEU 104 1HB LEU 104 -5.026 -0.457 -7.369 788 HB3 LEU 104 2HB LEU 104 -5.081 -1.959 -8.289 789 HG LEU 104 HG LEU 104 -6.541 -2.880 -6.429 790 HD11 LEU 104 1HD1 LEU 104 -7.271 -1.600 -4.730 791 HD12 LEU 104 2HD1 LEU 104 -7.341 -0.140 -5.716 792 HD13 LEU 104 3HD1 LEU 104 -5.800 -0.682 -5.053 793 HD21 LEU 104 1HD2 LEU 104 -7.968 -0.579 -7.629 794 HD22 LEU 104 2HD2 LEU 104 -8.394 -2.291 -7.598 795 HD23 LEU 104 3HD2 LEU 104 -7.179 -1.704 -8.736 796 H SER 105 H SER 105 -3.867 -3.896 -8.250 797 HA SER 105 HA SER 105 -5.112 -6.002 -6.934 798 HB2 SER 105 1HB SER 105 -4.321 -7.406 -8.678 799 HB3 SER 105 2HB SER 105 -4.518 -5.814 -9.411 800 HG SER 105 HG SER 105 -2.200 -7.248 -8.850 801 H THR 106 H THR 106 -1.662 -5.210 -7.140 802 HA THR 106 HA THR 106 -0.540 -7.381 -5.896 803 HB THR 106 HB THR 106 0.226 -4.470 -5.693 804 HG1 THR 106 1HG THR 106 1.457 -6.622 -7.095 805 HG21 THR 106 1HG2 THR 106 2.353 -5.157 -4.773 806 HG22 THR 106 2HG2 THR 106 1.867 -6.851 -4.824 807 HG23 THR 106 3HG2 THR 106 1.058 -5.735 -3.725 808 H LEU 107 H LEU 107 -1.799 -4.458 -4.295 809 HA LEU 107 HA LEU 107 -1.327 -5.386 -1.663 810 HB2 LEU 107 1HB LEU 107 -3.143 -3.265 -2.780 811 HB3 LEU 107 2HB LEU 107 -3.005 -3.588 -1.053 812 HG LEU 107 HG LEU 107 -0.622 -2.854 -2.734 813 HD11 LEU 107 1HD1 LEU 107 -2.839 -1.199 -2.221 814 HD12 LEU 107 2HD1 LEU 107 -1.265 -0.739 -2.868 815 HD13 LEU 107 3HD1 LEU 107 -1.554 -0.681 -1.130 816 HD21 LEU 107 1HD2 LEU 107 -0.984 -2.241 0.159 817 HD22 LEU 107 2HD2 LEU 107 0.491 -2.569 -0.750 818 HD23 LEU 107 3HD2 LEU 107 -0.594 -3.893 -0.322 819 H LEU 108 H LEU 108 -4.182 -5.441 -3.758 820 HA LEU 108 HA LEU 108 -6.091 -6.364 -2.004 821 HB2 LEU 108 1HB LEU 108 -5.627 -6.740 -4.922 822 HB3 LEU 108 2HB LEU 108 -6.896 -7.678 -4.138 823 HG LEU 108 HG LEU 108 -6.739 -4.665 -4.131 824 HD11 LEU 108 1HD1 LEU 108 -8.611 -6.396 -5.725 825 HD12 LEU 108 2HD1 LEU 108 -7.119 -5.726 -6.383 826 HD13 LEU 108 3HD1 LEU 108 -8.396 -4.648 -5.820 827 HD21 LEU 108 1HD2 LEU 108 -8.534 -4.654 -2.794 828 HD22 LEU 108 2HD2 LEU 108 -8.062 -6.305 -2.394 829 HD23 LEU 108 3HD2 LEU 108 -9.286 -6.012 -3.630 830 H ALA 109 H ALA 109 -3.716 -8.265 -3.829 831 HA ALA 109 HA ALA 109 -4.585 -10.803 -2.984 832 HB1 ALA 109 1HB ALA 109 -2.920 -11.566 -4.266 833 HB2 ALA 109 2HB ALA 109 -2.691 -9.879 -4.727 834 HB3 ALA 109 3HB ALA 109 -1.709 -10.582 -3.442 835 H VAL 110 H VAL 110 -2.077 -8.643 -1.691 836 HA VAL 110 HA VAL 110 -1.061 -10.255 0.311 837 HB VAL 110 HB VAL 110 -1.494 -7.267 0.418 838 HG11 VAL 110 1HG1 VAL 110 0.798 -8.048 1.861 839 HG12 VAL 110 2HG1 VAL 110 -0.692 -7.339 2.487 840 HG13 VAL 110 3HG1 VAL 110 -0.521 -9.092 2.389 841 HG21 VAL 110 1HG2 VAL 110 1.069 -8.667 -0.256 842 HG22 VAL 110 2HG2 VAL 110 -0.133 -8.317 -1.499 843 HG23 VAL 110 3HG2 VAL 110 0.596 -6.999 -0.581 844 H ASN 111 H ASN 111 -3.776 -7.961 0.548 845 HA ASN 111 HA ASN 111 -4.418 -8.427 3.222 846 HB2 ASN 111 1HB ASN 111 -5.489 -6.572 2.334 847 HB3 ASN 111 2HB ASN 111 -5.947 -7.414 0.857 848 HD21 ASN 111 1HD2 ASN 111 -6.490 -7.677 4.355 849 HD22 ASN 111 2HD2 ASN 111 -8.184 -7.997 4.238 850 H LYS 112 H LYS 112 -5.629 -10.007 0.284 851 HA LYS 112 HA LYS 112 -7.442 -11.734 1.591 852 HB2 LYS 112 1HB LYS 112 -7.171 -11.114 -0.942 853 HB3 LYS 112 2HB LYS 112 -6.090 -12.501 -0.970 854 HG2 LYS 112 1HG LYS 112 -8.047 -13.506 -1.552 855 HG3 LYS 112 2HG LYS 112 -8.121 -13.691 0.202 856 HD2 LYS 112 1HD LYS 112 -10.231 -12.879 -0.291 857 HD3 LYS 112 2HD LYS 112 -9.357 -11.403 0.126 858 HE2 LYS 112 1HE LYS 112 -9.313 -10.657 -2.038 859 HE3 LYS 112 2HE LYS 112 -9.364 -12.284 -2.715 860 HZ1 LYS 112 1HZ LYS 112 -11.735 -12.282 -1.690 861 HZ2 LYS 112 2HZ LYS 112 -11.460 -11.523 -3.176 862 HZ3 LYS 112 3HZ LYS 112 -11.574 -10.600 -1.763 863 H ALA 113 H ALA 113 -4.052 -11.726 1.434 864 HA ALA 113 HA ALA 113 -3.883 -14.587 2.072 865 HB1 ALA 113 1HB ALA 113 -2.200 -12.778 0.612 866 HB2 ALA 113 2HB ALA 113 -1.298 -13.516 1.936 867 HB3 ALA 113 3HB ALA 113 -2.106 -14.535 0.745 868 H THR 114 H THR 114 -3.814 -11.503 3.500 869 HA THR 114 HA THR 114 -2.563 -12.597 5.935 870 HB THR 114 HB THR 114 -2.022 -10.294 6.582 871 HG1 THR 114 1HG THR 114 -2.718 -9.400 4.000 872 HG21 THR 114 1HG2 THR 114 -1.068 -10.981 3.799 873 HG22 THR 114 2HG2 THR 114 -0.369 -11.572 5.307 874 HG23 THR 114 3HG2 THR 114 -0.286 -9.856 4.908 875 H GLU 115 H GLU 115 -5.404 -12.728 5.013 876 HA GLU 115 HA GLU 115 -6.606 -11.463 7.385 877 HB2 GLU 115 1HB GLU 115 -8.525 -10.811 6.187 878 HB3 GLU 115 2HB GLU 115 -7.175 -10.346 5.162 879 HG2 GLU 115 1HG GLU 115 -7.534 -12.188 3.709 880 HG3 GLU 115 2HG GLU 115 -8.697 -12.913 4.816 881 H SER 116 H SER 116 -8.547 -12.532 8.177 882 HA SER 116 HA SER 116 -8.413 -15.432 7.717 883 HB2 SER 116 1HB SER 116 -9.581 -15.588 9.936 884 HB3 SER 116 2HB SER 116 -7.980 -14.853 10.015 885 HG SER 116 HG SER 116 -8.954 -12.831 10.137 886 H GLY 117 H GLY 117 -9.963 -16.287 6.510 887 HA2 GLY 117 1HA GLY 117 -12.503 -14.841 6.226 888 HA3 GLY 117 2HA GLY 117 -11.891 -16.069 5.127 889 HA PRO 118 HA PRO 118 -14.826 -17.756 8.542 890 HB2 PRO 118 1HB PRO 118 -17.223 -17.570 7.281 891 HB3 PRO 118 2HB PRO 118 -16.594 -16.303 8.342 892 HG2 PRO 118 1HG PRO 118 -16.556 -16.462 5.353 893 HG3 PRO 118 2HG PRO 118 -16.923 -15.075 6.395 894 HD2 PRO 118 1HD PRO 118 -14.515 -15.404 5.201 895 HD3 PRO 118 2HD PRO 118 -14.697 -14.617 6.782 896 H SER 119 H SER 119 -16.259 -19.700 8.263 897 HA SER 119 HA SER 119 -15.067 -21.744 6.946 898 HB2 SER 119 1HB SER 119 -16.926 -22.015 8.562 899 HB3 SER 119 2HB SER 119 -18.060 -21.476 7.325 900 HG SER 119 HG SER 119 -16.718 -23.895 7.582 901 H SER 120 H SER 120 -15.239 -22.785 4.971 902 HA SER 120 HA SER 120 -15.571 -21.173 2.703 903 HB2 SER 120 1HB SER 120 -14.292 -23.438 3.032 904 HB3 SER 120 2HB SER 120 -15.822 -24.157 2.529 905 HG SER 120 HG SER 120 -15.652 -23.176 0.577 906 H GLY 121 H GLY 121 -17.475 -20.267 2.210 907 HA2 GLY 121 1HA GLY 121 -20.009 -21.275 2.824 908 HA3 GLY 121 2HA GLY 121 -19.675 -20.071 1.588 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -25.084 -2.734 -16.251 2 HA2 GLY 1 1HA GLY 1 -25.458 -5.567 -15.494 3 HA3 GLY 1 2HA GLY 1 -24.067 -4.984 -16.396 4 H SER 2 H SER 2 -23.748 -6.457 -14.088 5 HA SER 2 HA SER 2 -23.351 -4.722 -11.831 6 HB2 SER 2 1HB SER 2 -23.924 -7.147 -11.616 7 HB3 SER 2 2HB SER 2 -22.323 -7.539 -12.242 8 HG SER 2 HG SER 2 -22.835 -7.268 -9.790 9 H SER 3 H SER 3 -21.431 -3.962 -10.995 10 HA SER 3 HA SER 3 -19.225 -3.819 -12.908 11 HB2 SER 3 1HB SER 3 -20.002 -1.684 -12.065 12 HB3 SER 3 2HB SER 3 -19.809 -2.230 -10.399 13 HG SER 3 HG SER 3 -17.762 -1.774 -10.508 14 H GLY 4 H GLY 4 -19.591 -4.227 -9.377 15 HA2 GLY 4 1HA GLY 4 -18.527 -6.407 -8.593 16 HA3 GLY 4 2HA GLY 4 -17.095 -5.799 -9.409 17 H SER 5 H SER 5 -16.586 -6.367 -6.946 18 HA SER 5 HA SER 5 -17.212 -4.260 -5.093 19 HB2 SER 5 1HB SER 5 -15.148 -6.462 -4.849 20 HB3 SER 5 2HB SER 5 -15.776 -5.465 -3.537 21 HG SER 5 HG SER 5 -17.911 -6.398 -4.446 22 H SER 6 H SER 6 -16.418 -2.320 -5.749 23 HA SER 6 HA SER 6 -14.118 -1.717 -7.088 24 HB2 SER 6 1HB SER 6 -15.638 -0.211 -4.977 25 HB3 SER 6 2HB SER 6 -14.172 0.471 -5.681 26 HG SER 6 HG SER 6 -16.147 1.072 -6.769 27 H GLY 7 H GLY 7 -12.030 -2.038 -6.723 28 HA2 GLY 7 1HA GLY 7 -11.107 -2.996 -4.176 29 HA3 GLY 7 2HA GLY 7 -10.126 -2.730 -5.609 30 H GLU 8 H GLU 8 -10.427 -0.086 -6.113 31 HA GLU 8 HA GLU 8 -8.573 1.203 -4.652 32 HB2 GLU 8 1HB GLU 8 -11.085 2.392 -5.834 33 HB3 GLU 8 2HB GLU 8 -9.739 3.353 -5.238 34 HG2 GLU 8 1HG GLU 8 -8.287 2.525 -6.909 35 HG3 GLU 8 2HG GLU 8 -9.430 1.268 -7.377 36 H GLU 9 H GLU 9 -12.064 1.429 -3.952 37 HA GLU 9 HA GLU 9 -11.776 2.888 -1.564 38 HB2 GLU 9 1HB GLU 9 -13.891 2.692 -2.849 39 HB3 GLU 9 2HB GLU 9 -14.021 1.016 -2.335 40 HG2 GLU 9 1HG GLU 9 -15.419 2.624 -1.045 41 HG3 GLU 9 2HG GLU 9 -14.328 1.643 -0.069 42 H GLN 10 H GLN 10 -12.036 -0.588 -2.182 43 HA GLN 10 HA GLN 10 -12.217 -1.506 0.428 44 HB2 GLN 10 1HB GLN 10 -11.080 -2.670 -2.087 45 HB3 GLN 10 2HB GLN 10 -10.887 -3.531 -0.566 46 HG2 GLN 10 1HG GLN 10 -13.602 -2.592 -1.317 47 HG3 GLN 10 2HG GLN 10 -12.926 -3.981 -2.166 48 HE21 GLN 10 1HE2 GLN 10 -12.554 -5.885 -1.047 49 HE22 GLN 10 2HE2 GLN 10 -13.233 -6.190 0.512 50 H ILE 11 H ILE 11 -9.326 -0.735 -1.472 51 HA ILE 11 HA ILE 11 -7.437 -1.539 0.457 52 HB ILE 11 HB ILE 11 -7.183 0.538 -1.721 53 HG12 ILE 11 1HG1 ILE 11 -7.704 -1.684 -2.582 54 HG13 ILE 11 2HG1 ILE 11 -6.031 -1.274 -2.947 55 HG21 ILE 11 1HG2 ILE 11 -5.526 0.718 0.168 56 HG22 ILE 11 2HG2 ILE 11 -4.948 -0.882 -0.294 57 HG23 ILE 11 3HG2 ILE 11 -4.832 0.459 -1.433 58 HD11 ILE 11 1HD1 ILE 11 -5.407 -3.177 -2.020 59 HD12 ILE 11 2HD1 ILE 11 -6.016 -2.600 -0.468 60 HD13 ILE 11 3HD1 ILE 11 -7.069 -3.522 -1.541 61 H VAL 12 H VAL 12 -8.687 1.706 -0.334 62 HA VAL 12 HA VAL 12 -7.340 3.245 1.467 63 HB VAL 12 HB VAL 12 -10.277 3.477 0.799 64 HG11 VAL 12 1HG1 VAL 12 -9.202 4.770 2.821 65 HG12 VAL 12 2HG1 VAL 12 -8.572 5.805 1.537 66 HG13 VAL 12 3HG1 VAL 12 -10.312 5.578 1.714 67 HG21 VAL 12 1HG2 VAL 12 -8.575 3.452 -1.098 68 HG22 VAL 12 2HG2 VAL 12 -9.668 4.834 -1.021 69 HG23 VAL 12 3HG2 VAL 12 -8.005 4.992 -0.454 70 H THR 13 H THR 13 -10.540 1.817 2.151 71 HA THR 13 HA THR 13 -10.551 2.417 4.885 72 HB THR 13 HB THR 13 -11.976 0.180 3.432 73 HG1 THR 13 1HG THR 13 -13.151 2.585 4.328 74 HG21 THR 13 1HG2 THR 13 -12.380 1.322 6.196 75 HG22 THR 13 2HG2 THR 13 -11.951 -0.336 5.776 76 HG23 THR 13 3HG2 THR 13 -13.549 0.290 5.373 77 H TRP 14 H TRP 14 -9.361 -0.403 3.133 78 HA TRP 14 HA TRP 14 -8.910 -2.119 5.276 79 HB2 TRP 14 1HB TRP 14 -8.717 -2.864 2.967 80 HB3 TRP 14 2HB TRP 14 -7.327 -1.811 2.716 81 HD1 TRP 14 HD TRP 14 -7.889 -4.239 5.681 82 HE1 TRP 14 1HE TRP 14 -5.919 -5.894 5.737 83 HE3 TRP 14 3HE TRP 14 -5.449 -2.737 1.447 84 HZ2 TRP 14 2HZ TRP 14 -3.632 -6.484 4.191 85 HZ3 TRP 14 3HZ TRP 14 -3.377 -3.899 0.806 86 HH2 TRP 14 HH TRP 14 -2.489 -5.733 2.151 87 H LEU 15 H LEU 15 -6.415 -0.140 3.661 88 HA LEU 15 HA LEU 15 -4.330 -0.474 5.355 89 HB2 LEU 15 1HB LEU 15 -5.183 2.162 4.167 90 HB3 LEU 15 2HB LEU 15 -3.567 1.767 4.750 91 HG LEU 15 HG LEU 15 -4.913 0.373 2.440 92 HD11 LEU 15 1HD1 LEU 15 -4.626 2.459 1.538 93 HD12 LEU 15 2HD1 LEU 15 -3.049 1.744 1.207 94 HD13 LEU 15 3HD1 LEU 15 -3.249 2.840 2.574 95 HD21 LEU 15 1HD2 LEU 15 -2.441 -0.018 3.927 96 HD22 LEU 15 2HD2 LEU 15 -2.181 0.159 2.192 97 HD23 LEU 15 3HD2 LEU 15 -3.268 -1.092 2.799 98 H ILE 16 H ILE 16 -6.760 2.112 5.737 99 HA ILE 16 HA ILE 16 -5.875 3.127 8.157 100 HB ILE 16 HB ILE 16 -8.743 2.912 7.233 101 HG12 ILE 16 1HG1 ILE 16 -6.788 5.191 6.881 102 HG13 ILE 16 2HG1 ILE 16 -7.166 4.016 5.627 103 HG21 ILE 16 1HG2 ILE 16 -9.358 4.380 8.865 104 HG22 ILE 16 2HG2 ILE 16 -8.048 3.549 9.704 105 HG23 ILE 16 3HG2 ILE 16 -7.760 5.120 8.956 106 HD11 ILE 16 1HD1 ILE 16 -8.887 6.163 6.782 107 HD12 ILE 16 2HD1 ILE 16 -8.518 5.807 5.094 108 HD13 ILE 16 3HD1 ILE 16 -9.608 4.757 6.000 109 H SER 17 H SER 17 -8.270 0.556 7.596 110 HA SER 17 HA SER 17 -9.010 0.024 10.195 111 HB2 SER 17 1HB SER 17 -10.146 -1.100 8.419 112 HB3 SER 17 2HB SER 17 -8.655 -1.850 7.852 113 HG SER 17 HG SER 17 -8.628 -3.128 9.685 114 H LEU 18 H LEU 18 -6.232 -1.292 8.417 115 HA LEU 18 HA LEU 18 -5.285 -2.968 10.465 116 HB2 LEU 18 1HB LEU 18 -3.994 -1.672 8.091 117 HB3 LEU 18 2HB LEU 18 -3.049 -2.630 9.229 118 HG LEU 18 HG LEU 18 -5.426 -3.683 7.701 119 HD11 LEU 18 1HD1 LEU 18 -2.804 -3.107 6.767 120 HD12 LEU 18 2HD1 LEU 18 -4.134 -3.892 5.916 121 HD13 LEU 18 3HD1 LEU 18 -2.995 -4.858 6.855 122 HD21 LEU 18 1HD2 LEU 18 -3.369 -4.912 9.510 123 HD22 LEU 18 2HD2 LEU 18 -4.264 -5.871 8.332 124 HD23 LEU 18 3HD2 LEU 18 -5.127 -5.010 9.607 125 H GLY 19 H GLY 19 -4.688 0.431 9.732 126 HA2 GLY 19 1HA GLY 19 -4.293 1.934 11.603 127 HA3 GLY 19 2HA GLY 19 -3.348 0.656 12.352 128 H VAL 20 H VAL 20 -3.162 1.601 8.968 129 HA VAL 20 HA VAL 20 -0.437 2.609 9.475 130 HB VAL 20 HB VAL 20 0.134 1.832 7.174 131 HG11 VAL 20 1HG1 VAL 20 0.955 -0.031 8.086 132 HG12 VAL 20 2HG1 VAL 20 0.062 0.413 9.542 133 HG13 VAL 20 3HG1 VAL 20 -0.654 -0.695 8.371 134 HG21 VAL 20 1HG2 VAL 20 -1.275 0.431 5.931 135 HG22 VAL 20 2HG2 VAL 20 -2.357 0.158 7.297 136 HG23 VAL 20 3HG2 VAL 20 -2.330 1.728 6.494 137 H LEU 21 H LEU 21 -3.506 3.157 8.029 138 HA LEU 21 HA LEU 21 -2.483 5.611 6.758 139 HB2 LEU 21 1HB LEU 21 -3.365 4.090 5.109 140 HB3 LEU 21 2HB LEU 21 -4.859 3.908 6.026 141 HG LEU 21 HG LEU 21 -5.236 6.390 5.609 142 HD11 LEU 21 1HD1 LEU 21 -2.844 5.882 3.899 143 HD12 LEU 21 2HD1 LEU 21 -3.234 7.278 4.903 144 HD13 LEU 21 3HD1 LEU 21 -4.070 7.035 3.369 145 HD21 LEU 21 1HD2 LEU 21 -6.712 5.406 4.265 146 HD22 LEU 21 2HD2 LEU 21 -5.595 4.100 3.870 147 HD23 LEU 21 3HD2 LEU 21 -5.535 5.615 2.968 148 H GLU 22 H GLU 22 -3.207 7.493 7.518 149 HA GLU 22 HA GLU 22 -4.764 7.681 9.833 150 HB2 GLU 22 1HB GLU 22 -4.919 10.135 9.221 151 HB3 GLU 22 2HB GLU 22 -3.295 9.474 9.347 152 HG2 GLU 22 1HG GLU 22 -4.577 9.466 6.676 153 HG3 GLU 22 2HG GLU 22 -4.048 11.014 7.332 154 H SER 23 H SER 23 -6.869 8.558 10.161 155 HA SER 23 HA SER 23 -8.704 7.947 7.946 156 HB2 SER 23 1HB SER 23 -10.424 7.619 9.659 157 HB3 SER 23 2HB SER 23 -9.018 6.611 10.001 158 HG SER 23 HG SER 23 -10.106 8.637 11.466 159 HA PRO 24 HA PRO 24 -8.942 12.514 8.134 160 HB2 PRO 24 1HB PRO 24 -9.564 12.791 5.506 161 HB3 PRO 24 2HB PRO 24 -7.904 12.623 6.087 162 HG2 PRO 24 1HG PRO 24 -9.716 10.552 4.910 163 HG3 PRO 24 2HG PRO 24 -7.994 10.839 4.599 164 HD2 PRO 24 1HD PRO 24 -8.870 8.876 6.246 165 HD3 PRO 24 2HD PRO 24 -7.336 9.730 6.509 166 H LYS 25 H LYS 25 -10.735 13.799 8.291 167 HA LYS 25 HA LYS 25 -13.298 12.459 8.300 168 HB2 LYS 25 1HB LYS 25 -12.471 15.265 9.052 169 HB3 LYS 25 2HB LYS 25 -14.119 14.664 9.180 170 HG2 LYS 25 1HG LYS 25 -13.346 12.934 10.746 171 HG3 LYS 25 2HG LYS 25 -11.715 13.602 10.649 172 HD2 LYS 25 1HD LYS 25 -14.059 15.303 11.440 173 HD3 LYS 25 2HD LYS 25 -13.200 14.313 12.622 174 HE2 LYS 25 1HE LYS 25 -11.700 16.171 10.818 175 HE3 LYS 25 2HE LYS 25 -12.491 16.783 12.270 176 HZ1 LYS 25 1HZ LYS 25 -10.132 15.112 12.008 177 HZ2 LYS 25 2HZ LYS 25 -11.187 14.687 13.260 178 HZ3 LYS 25 3HZ LYS 25 -10.531 16.245 13.199 179 H LYS 26 H LYS 26 -12.402 12.502 5.740 180 HA LYS 26 HA LYS 26 -14.353 14.267 4.467 181 HB2 LYS 26 1HB LYS 26 -11.859 15.140 4.446 182 HB3 LYS 26 2HB LYS 26 -11.691 13.974 3.140 183 HG2 LYS 26 1HG LYS 26 -12.183 16.002 2.089 184 HG3 LYS 26 2HG LYS 26 -13.703 15.106 2.078 185 HD2 LYS 26 1HD LYS 26 -14.459 16.359 4.037 186 HD3 LYS 26 2HD LYS 26 -12.933 17.247 4.062 187 HE2 LYS 26 1HE LYS 26 -14.495 18.662 2.996 188 HE3 LYS 26 2HE LYS 26 -13.484 18.000 1.712 189 HZ1 LYS 26 1HZ LYS 26 -16.231 17.925 1.861 190 HZ2 LYS 26 2HZ LYS 26 -15.738 16.341 2.188 191 HZ3 LYS 26 3HZ LYS 26 -15.252 17.098 0.756 192 H THR 27 H THR 27 -15.273 13.442 2.612 193 HA THR 27 HA THR 27 -14.939 10.591 2.226 194 HB THR 27 HB THR 27 -16.757 12.180 0.480 195 HG1 THR 27 1HG THR 27 -17.295 13.147 2.377 196 HG21 THR 27 1HG2 THR 27 -18.228 10.257 0.850 197 HG22 THR 27 2HG2 THR 27 -17.065 9.583 1.992 198 HG23 THR 27 3HG2 THR 27 -16.638 9.741 0.289 199 H ILE 28 H ILE 28 -13.339 9.913 0.956 200 HA ILE 28 HA ILE 28 -12.329 11.540 -1.206 201 HB ILE 28 HB ILE 28 -11.567 8.749 -0.338 202 HG12 ILE 28 1HG1 ILE 28 -9.841 11.166 0.009 203 HG13 ILE 28 2HG1 ILE 28 -11.163 10.901 1.140 204 HG21 ILE 28 1HG2 ILE 28 -10.165 10.611 -2.250 205 HG22 ILE 28 2HG2 ILE 28 -9.603 9.020 -1.741 206 HG23 ILE 28 3HG2 ILE 28 -11.072 9.168 -2.704 207 HD11 ILE 28 1HD1 ILE 28 -10.216 8.626 1.566 208 HD12 ILE 28 2HD1 ILE 28 -8.814 9.108 0.610 209 HD13 ILE 28 3HD1 ILE 28 -9.208 9.973 2.095 210 H CYS 29 H CYS 29 -13.901 11.669 -2.772 211 HA CYS 29 HA CYS 29 -15.394 9.461 -3.724 212 HB2 CYS 29 1HB CYS 29 -14.910 12.258 -4.652 213 HB3 CYS 29 2HB CYS 29 -15.628 11.114 -5.779 214 HG CYS 29 HG CYS 29 -18.024 11.346 -4.906 215 H ASP 30 H ASP 30 -12.388 10.977 -4.772 216 HA ASP 30 HA ASP 30 -12.084 8.875 -6.810 217 HB2 ASP 30 1HB ASP 30 -10.449 11.402 -6.647 218 HB3 ASP 30 2HB ASP 30 -10.654 10.322 -8.024 219 HA PRO 31 HA PRO 31 -9.141 7.684 -3.465 220 HB2 PRO 31 1HB PRO 31 -9.527 5.015 -3.781 221 HB3 PRO 31 2HB PRO 31 -10.568 6.023 -2.769 222 HG2 PRO 31 1HG PRO 31 -11.012 5.052 -5.565 223 HG3 PRO 31 2HG PRO 31 -12.154 5.122 -4.211 224 HD2 PRO 31 1HD PRO 31 -12.122 6.973 -6.187 225 HD3 PRO 31 2HD PRO 31 -12.572 7.368 -4.516 226 H GLU 32 H GLU 32 -9.464 7.022 -6.829 227 HA GLU 32 HA GLU 32 -7.280 5.376 -7.329 228 HB2 GLU 32 1HB GLU 32 -9.029 6.088 -8.985 229 HB3 GLU 32 2HB GLU 32 -8.211 7.640 -9.098 230 HG2 GLU 32 1HG GLU 32 -6.283 6.661 -10.052 231 HG3 GLU 32 2HG GLU 32 -6.839 5.032 -9.672 232 H GLU 33 H GLU 33 -7.392 8.940 -7.440 233 HA GLU 33 HA GLU 33 -4.570 9.197 -7.758 234 HB2 GLU 33 1HB GLU 33 -6.846 11.069 -7.290 235 HB3 GLU 33 2HB GLU 33 -5.216 11.647 -6.976 236 HG2 GLU 33 1HG GLU 33 -6.312 10.609 -9.575 237 HG3 GLU 33 2HG GLU 33 -5.824 12.260 -9.198 238 H PHE 34 H PHE 34 -6.776 9.750 -5.022 239 HA PHE 34 HA PHE 34 -4.989 10.601 -3.118 240 HB2 PHE 34 1HB PHE 34 -7.375 10.519 -2.683 241 HB3 PHE 34 2HB PHE 34 -7.362 8.760 -2.759 242 HD1 PHE 34 2HD PHE 34 -6.489 11.693 -0.758 243 HD2 PHE 34 1HD PHE 34 -6.522 7.440 -0.926 244 HE1 PHE 34 2HE PHE 34 -6.069 11.598 1.664 245 HE2 PHE 34 1HE PHE 34 -6.103 7.338 1.496 246 HZ PHE 34 HZ PHE 34 -5.874 9.419 2.794 247 H LEU 35 H LEU 35 -5.904 7.216 -3.763 248 HA LEU 35 HA LEU 35 -4.191 6.009 -1.936 249 HB2 LEU 35 1HB LEU 35 -5.468 5.139 -4.484 250 HB3 LEU 35 2HB LEU 35 -4.250 4.102 -3.745 251 HG LEU 35 HG LEU 35 -6.689 5.045 -2.257 252 HD11 LEU 35 1HD1 LEU 35 -6.462 3.030 -4.357 253 HD12 LEU 35 2HD1 LEU 35 -7.893 3.786 -3.656 254 HD13 LEU 35 3HD1 LEU 35 -7.136 2.413 -2.848 255 HD21 LEU 35 1HD2 LEU 35 -4.954 4.260 -0.820 256 HD22 LEU 35 2HD2 LEU 35 -4.674 2.845 -1.836 257 HD23 LEU 35 3HD2 LEU 35 -6.177 2.993 -0.923 258 H LYS 36 H LYS 36 -3.624 6.824 -5.346 259 HA LYS 36 HA LYS 36 -1.034 5.772 -5.540 260 HB2 LYS 36 1HB LYS 36 -2.295 8.090 -7.015 261 HB3 LYS 36 2HB LYS 36 -0.778 7.326 -7.470 262 HG2 LYS 36 1HG LYS 36 -1.809 5.397 -8.194 263 HG3 LYS 36 2HG LYS 36 -3.247 5.671 -7.207 264 HD2 LYS 36 1HD LYS 36 -4.074 6.218 -9.269 265 HD3 LYS 36 2HD LYS 36 -3.478 7.798 -8.754 266 HE2 LYS 36 1HE LYS 36 -1.768 5.893 -10.325 267 HE3 LYS 36 2HE LYS 36 -2.883 7.006 -11.116 268 HZ1 LYS 36 1HZ LYS 36 -1.212 8.265 -9.145 269 HZ2 LYS 36 2HZ LYS 36 -1.537 8.726 -10.739 270 HZ3 LYS 36 3HZ LYS 36 -0.335 7.579 -10.419 271 H SER 37 H SER 37 -2.198 8.921 -4.467 272 HA SER 37 HA SER 37 0.390 10.100 -4.243 273 HB2 SER 37 1HB SER 37 -1.506 11.557 -4.494 274 HB3 SER 37 2HB SER 37 -2.293 10.866 -3.075 275 HG SER 37 HG SER 37 -1.032 12.011 -1.797 276 H SER 38 H SER 38 -1.739 8.355 -2.058 277 HA SER 38 HA SER 38 -0.245 8.889 0.306 278 HB2 SER 38 1HB SER 38 -2.674 8.134 0.177 279 HB3 SER 38 2HB SER 38 -2.055 6.513 -0.143 280 HG SER 38 HG SER 38 -1.349 8.068 2.123 281 H LEU 39 H LEU 39 -0.427 6.083 -1.871 282 HA LEU 39 HA LEU 39 1.582 4.608 -0.489 283 HB2 LEU 39 1HB LEU 39 0.705 4.248 -3.346 284 HB3 LEU 39 2HB LEU 39 1.455 3.049 -2.295 285 HG LEU 39 HG LEU 39 -1.242 4.213 -1.671 286 HD11 LEU 39 1HD1 LEU 39 -1.634 1.681 -2.753 287 HD12 LEU 39 2HD1 LEU 39 -0.546 2.492 -3.879 288 HD13 LEU 39 3HD1 LEU 39 -2.096 3.226 -3.467 289 HD21 LEU 39 1HD2 LEU 39 0.239 2.845 -0.041 290 HD22 LEU 39 2HD2 LEU 39 -0.245 1.466 -1.029 291 HD23 LEU 39 3HD2 LEU 39 -1.469 2.435 -0.207 292 H LYS 40 H LYS 40 1.573 6.822 -3.213 293 HA LYS 40 HA LYS 40 3.877 6.481 -4.514 294 HB2 LYS 40 1HB LYS 40 2.593 8.403 -5.033 295 HB3 LYS 40 2HB LYS 40 2.746 9.042 -3.402 296 HG2 LYS 40 1HG LYS 40 5.226 9.252 -3.864 297 HG3 LYS 40 2HG LYS 40 4.836 8.929 -5.555 298 HD2 LYS 40 1HD LYS 40 3.376 11.073 -4.065 299 HD3 LYS 40 2HD LYS 40 4.990 11.387 -4.707 300 HE2 LYS 40 1HE LYS 40 3.745 12.039 -6.501 301 HE3 LYS 40 2HE LYS 40 3.926 10.329 -6.888 302 HZ1 LYS 40 1HZ LYS 40 1.582 11.611 -5.593 303 HZ2 LYS 40 2HZ LYS 40 1.759 9.943 -5.813 304 HZ3 LYS 40 3HZ LYS 40 1.647 10.966 -7.156 305 H ASN 41 H ASN 41 3.848 8.481 -1.557 306 HA ASN 41 HA ASN 41 6.471 8.869 -1.123 307 HB2 ASN 41 1HB ASN 41 4.231 8.296 0.778 308 HB3 ASN 41 2HB ASN 41 5.869 8.441 1.408 309 HD21 ASN 41 1HD2 ASN 41 5.361 10.302 2.548 310 HD22 ASN 41 2HD2 ASN 41 5.121 11.825 1.767 311 H GLY 42 H GLY 42 4.727 5.883 -0.314 312 HA2 GLY 42 1HA GLY 42 5.709 3.729 -0.570 313 HA3 GLY 42 2HA GLY 42 7.295 4.463 -0.389 314 H VAL 43 H VAL 43 6.533 6.026 1.952 315 HA VAL 43 HA VAL 43 7.286 4.251 3.970 316 HB VAL 43 HB VAL 43 7.631 6.595 4.298 317 HG11 VAL 43 1HG1 VAL 43 4.906 7.435 4.816 318 HG12 VAL 43 2HG1 VAL 43 6.143 8.179 3.801 319 HG13 VAL 43 3HG1 VAL 43 5.125 6.893 3.153 320 HG21 VAL 43 1HG2 VAL 43 7.307 5.328 6.330 321 HG22 VAL 43 2HG2 VAL 43 6.608 6.935 6.522 322 HG23 VAL 43 3HG2 VAL 43 5.560 5.548 6.226 323 H VAL 44 H VAL 44 4.104 5.242 2.854 324 HA VAL 44 HA VAL 44 2.562 4.248 4.969 325 HB VAL 44 HB VAL 44 1.926 4.596 2.044 326 HG11 VAL 44 1HG1 VAL 44 0.017 3.854 4.259 327 HG12 VAL 44 2HG1 VAL 44 -0.419 4.231 2.591 328 HG13 VAL 44 3HG1 VAL 44 0.536 2.792 2.951 329 HG21 VAL 44 1HG2 VAL 44 0.487 6.158 4.047 330 HG22 VAL 44 2HG2 VAL 44 2.229 6.435 4.055 331 HG23 VAL 44 3HG2 VAL 44 1.304 6.681 2.574 332 H LEU 45 H LEU 45 3.874 2.664 2.106 333 HA LEU 45 HA LEU 45 2.501 0.194 2.535 334 HB2 LEU 45 1HB LEU 45 4.909 0.881 0.860 335 HB3 LEU 45 2HB LEU 45 4.107 -0.688 0.849 336 HG LEU 45 HG LEU 45 2.504 1.749 0.227 337 HD11 LEU 45 1HD1 LEU 45 4.745 1.700 -1.075 338 HD12 LEU 45 2HD1 LEU 45 3.237 1.940 -1.956 339 HD13 LEU 45 3HD1 LEU 45 4.010 0.355 -1.947 340 HD21 LEU 45 1HD2 LEU 45 2.205 -1.097 0.110 341 HD22 LEU 45 2HD2 LEU 45 2.009 -0.412 -1.503 342 HD23 LEU 45 3HD2 LEU 45 1.004 0.163 -0.172 343 H CYS 46 H CYS 46 5.787 1.361 3.183 344 HA CYS 46 HA CYS 46 6.921 -0.986 4.125 345 HB2 CYS 46 1HB CYS 46 7.413 1.914 4.663 346 HB3 CYS 46 2HB CYS 46 8.246 0.715 5.645 347 HG CYS 46 HG CYS 46 8.421 0.836 2.229 348 H LYS 47 H LYS 47 4.800 1.292 5.746 349 HA LYS 47 HA LYS 47 5.109 0.084 8.336 350 HB2 LYS 47 1HB LYS 47 3.125 2.091 7.255 351 HB3 LYS 47 2HB LYS 47 3.156 1.555 8.930 352 HG2 LYS 47 1HG LYS 47 5.474 2.400 9.114 353 HG3 LYS 47 2HG LYS 47 5.338 3.029 7.470 354 HD2 LYS 47 1HD LYS 47 3.609 4.540 8.107 355 HD3 LYS 47 2HD LYS 47 3.447 3.780 9.692 356 HE2 LYS 47 1HE LYS 47 5.721 4.512 10.259 357 HE3 LYS 47 2HE LYS 47 5.857 5.291 8.683 358 HZ1 LYS 47 1HZ LYS 47 3.552 6.302 9.721 359 HZ2 LYS 47 2HZ LYS 47 5.050 7.085 9.690 360 HZ3 LYS 47 3HZ LYS 47 4.575 6.223 11.066 361 H LEU 48 H LEU 48 3.035 -0.346 5.585 362 HA LEU 48 HA LEU 48 0.917 -1.703 6.886 363 HB2 LEU 48 1HB LEU 48 0.409 -0.875 4.771 364 HB3 LEU 48 2HB LEU 48 1.879 -1.535 4.057 365 HG LEU 48 HG LEU 48 0.876 -3.821 4.351 366 HD11 LEU 48 1HD1 LEU 48 -1.823 -2.653 4.502 367 HD12 LEU 48 2HD1 LEU 48 -0.890 -2.634 5.999 368 HD13 LEU 48 3HD1 LEU 48 -1.194 -4.160 5.169 369 HD21 LEU 48 1HD2 LEU 48 0.193 -3.679 2.232 370 HD22 LEU 48 2HD2 LEU 48 0.568 -1.959 2.346 371 HD23 LEU 48 3HD2 LEU 48 -1.079 -2.523 2.631 372 H ILE 49 H ILE 49 3.363 -3.088 4.688 373 HA ILE 49 HA ILE 49 2.952 -5.743 5.211 374 HB ILE 49 HB ILE 49 4.530 -4.838 3.506 375 HG12 ILE 49 1HG1 ILE 49 6.320 -6.649 3.949 376 HG13 ILE 49 2HG1 ILE 49 5.379 -7.029 5.387 377 HG21 ILE 49 1HG2 ILE 49 6.617 -4.744 5.651 378 HG22 ILE 49 2HG2 ILE 49 6.657 -4.059 4.028 379 HG23 ILE 49 3HG2 ILE 49 5.644 -3.324 5.270 380 HD11 ILE 49 1HD1 ILE 49 3.551 -7.752 4.141 381 HD12 ILE 49 2HD1 ILE 49 4.116 -6.950 2.675 382 HD13 ILE 49 3HD1 ILE 49 4.948 -8.386 3.271 383 H ASN 50 H ASN 50 4.824 -3.440 7.111 384 HA ASN 50 HA ASN 50 6.063 -5.240 8.859 385 HB2 ASN 50 1HB ASN 50 5.188 -2.375 9.255 386 HB3 ASN 50 2HB ASN 50 6.143 -3.266 10.436 387 HD21 ASN 50 1HD2 ASN 50 7.302 -1.096 9.646 388 HD22 ASN 50 2HD2 ASN 50 8.550 -1.381 8.486 389 H ARG 51 H ARG 51 2.892 -3.683 9.000 390 HA ARG 51 HA ARG 51 2.222 -4.717 11.573 391 HB2 ARG 51 1HB ARG 51 1.164 -2.695 10.684 392 HB3 ARG 51 2HB ARG 51 0.448 -3.631 9.379 393 HG2 ARG 51 1HG ARG 51 -1.301 -3.427 10.865 394 HG3 ARG 51 2HG ARG 51 -0.634 -5.006 11.285 395 HD2 ARG 51 1HD ARG 51 0.265 -2.510 12.683 396 HD3 ARG 51 2HD ARG 51 -1.193 -3.364 13.186 397 HE ARG 51 HE ARG 51 0.686 -5.313 13.125 398 HH11 ARG 51 1HH1 ARG 51 0.518 -2.182 14.638 399 HH12 ARG 51 2HH1 ARG 51 1.517 -2.632 15.980 400 HH21 ARG 51 1HH2 ARG 51 2.002 -5.918 14.887 401 HH22 ARG 51 2HH2 ARG 51 2.362 -4.757 16.120 402 H LEU 52 H LEU 52 1.798 -5.815 8.273 403 HA LEU 52 HA LEU 52 -0.069 -7.879 8.846 404 HB2 LEU 52 1HB LEU 52 1.877 -7.704 6.552 405 HB3 LEU 52 2HB LEU 52 0.423 -8.697 6.625 406 HG LEU 52 HG LEU 52 0.494 -5.681 6.551 407 HD11 LEU 52 1HD1 LEU 52 0.119 -5.755 4.318 408 HD12 LEU 52 2HD1 LEU 52 -0.719 -7.304 4.395 409 HD13 LEU 52 3HD1 LEU 52 1.042 -7.250 4.468 410 HD21 LEU 52 1HD2 LEU 52 -1.639 -7.660 7.051 411 HD22 LEU 52 2HD2 LEU 52 -2.030 -6.350 5.936 412 HD23 LEU 52 3HD2 LEU 52 -1.497 -5.982 7.577 413 H MET 53 H MET 53 3.454 -7.878 8.348 414 HA MET 53 HA MET 53 3.550 -10.471 9.744 415 HB2 MET 53 1HB MET 53 5.197 -9.529 7.395 416 HB3 MET 53 2HB MET 53 5.612 -10.938 8.362 417 HG2 MET 53 1HG MET 53 2.893 -10.756 7.165 418 HG3 MET 53 2HG MET 53 4.262 -11.178 6.138 419 HE1 MET 53 1HE MET 53 4.678 -13.161 5.537 420 HE2 MET 53 2HE MET 53 4.636 -14.687 6.421 421 HE3 MET 53 3HE MET 53 3.151 -14.022 5.737 422 HA PRO 54 HA PRO 54 6.174 -8.400 12.622 423 HB2 PRO 54 1HB PRO 54 7.267 -10.590 13.796 424 HB3 PRO 54 2HB PRO 54 5.605 -10.067 14.097 425 HG2 PRO 54 1HG PRO 54 6.614 -12.210 12.267 426 HG3 PRO 54 2HG PRO 54 5.220 -12.239 13.362 427 HD2 PRO 54 1HD PRO 54 4.973 -11.814 10.699 428 HD3 PRO 54 2HD PRO 54 3.880 -11.077 11.889 429 H GLY 55 H GLY 55 7.840 -7.350 11.657 430 HA2 GLY 55 1HA GLY 55 10.133 -7.074 11.288 431 HA3 GLY 55 2HA GLY 55 10.327 -8.820 11.332 432 H SER 56 H SER 56 8.466 -6.532 9.324 433 HA SER 56 HA SER 56 9.144 -8.086 6.961 434 HB2 SER 56 1HB SER 56 7.334 -5.694 7.357 435 HB3 SER 56 2HB SER 56 7.588 -6.494 5.806 436 HG SER 56 HG SER 56 6.132 -7.312 8.011 437 H VAL 57 H VAL 57 9.402 -4.694 8.020 438 HA VAL 57 HA VAL 57 11.552 -4.325 6.041 439 HB VAL 57 HB VAL 57 9.845 -2.213 7.366 440 HG11 VAL 57 1HG1 VAL 57 12.341 -1.843 6.457 441 HG12 VAL 57 2HG1 VAL 57 11.443 -1.622 4.954 442 HG13 VAL 57 3HG1 VAL 57 11.082 -0.612 6.354 443 HG21 VAL 57 1HG2 VAL 57 8.317 -2.778 5.845 444 HG22 VAL 57 2HG2 VAL 57 9.423 -2.138 4.629 445 HG23 VAL 57 3HG2 VAL 57 9.437 -3.859 5.014 446 H GLU 58 H GLU 58 13.544 -3.703 6.685 447 HA GLU 58 HA GLU 58 14.184 -3.893 9.475 448 HB2 GLU 58 1HB GLU 58 15.792 -3.401 6.983 449 HB3 GLU 58 2HB GLU 58 16.520 -3.249 8.576 450 HG2 GLU 58 1HG GLU 58 17.032 -5.417 7.940 451 HG3 GLU 58 2HG GLU 58 15.636 -5.613 8.998 452 H LYS 59 H LYS 59 14.596 -1.313 7.046 453 HA LYS 59 HA LYS 59 13.908 0.697 9.002 454 HB2 LYS 59 1HB LYS 59 16.693 0.498 7.857 455 HB3 LYS 59 2HB LYS 59 16.049 1.980 8.551 456 HG2 LYS 59 1HG LYS 59 15.571 0.510 10.628 457 HG3 LYS 59 2HG LYS 59 16.743 -0.592 9.901 458 HD2 LYS 59 1HD LYS 59 18.353 1.311 9.788 459 HD3 LYS 59 2HD LYS 59 17.189 2.286 10.688 460 HE2 LYS 59 1HE LYS 59 18.390 -0.308 11.651 461 HE3 LYS 59 2HE LYS 59 18.946 1.297 12.121 462 HZ1 LYS 59 1HZ LYS 59 17.449 0.318 13.764 463 HZ2 LYS 59 2HZ LYS 59 16.219 0.225 12.607 464 HZ3 LYS 59 3HZ LYS 59 16.800 1.734 13.105 465 H PHE 60 H PHE 60 12.545 1.955 7.931 466 HA PHE 60 HA PHE 60 13.121 2.566 5.106 467 HB2 PHE 60 1HB PHE 60 10.667 2.852 4.818 468 HB3 PHE 60 2HB PHE 60 11.121 1.211 5.267 469 HD1 PHE 60 2HD PHE 60 11.074 0.722 7.850 470 HD2 PHE 60 1HD PHE 60 8.936 3.865 5.935 471 HE1 PHE 60 2HE PHE 60 9.508 0.808 9.746 472 HE2 PHE 60 1HE PHE 60 7.367 3.956 7.828 473 HZ PHE 60 HZ PHE 60 7.651 2.426 9.736 474 H CYS 61 H CYS 61 11.860 4.643 4.432 475 HA CYS 61 HA CYS 61 12.703 6.729 6.287 476 HB2 CYS 61 1HB CYS 61 13.162 6.587 3.691 477 HB3 CYS 61 2HB CYS 61 11.566 7.319 3.586 478 HG CYS 61 HG CYS 61 14.411 8.642 4.905 479 H LEU 62 H LEU 62 11.272 7.465 7.701 480 HA LEU 62 HA LEU 62 8.457 7.091 7.385 481 HB2 LEU 62 1HB LEU 62 10.133 8.554 9.405 482 HB3 LEU 62 2HB LEU 62 8.372 8.544 9.470 483 HG LEU 62 HG LEU 62 10.082 6.063 9.583 484 HD11 LEU 62 1HD1 LEU 62 9.284 7.987 11.659 485 HD12 LEU 62 2HD1 LEU 62 10.618 6.835 11.626 486 HD13 LEU 62 3HD1 LEU 62 8.993 6.291 12.042 487 HD21 LEU 62 1HD2 LEU 62 7.818 5.694 8.761 488 HD22 LEU 62 2HD2 LEU 62 7.159 6.537 10.163 489 HD23 LEU 62 3HD2 LEU 62 8.020 5.012 10.375 490 H ASP 63 H ASP 63 10.620 9.899 7.274 491 HA ASP 63 HA ASP 63 8.461 11.393 5.935 492 HB2 ASP 63 1HB ASP 63 10.496 12.394 7.931 493 HB3 ASP 63 2HB ASP 63 9.525 13.463 6.922 494 HA PRO 64 HA PRO 64 12.013 11.067 3.020 495 HB2 PRO 64 1HB PRO 64 10.452 10.805 0.814 496 HB3 PRO 64 2HB PRO 64 10.910 9.436 1.835 497 HG2 PRO 64 1HG PRO 64 8.359 11.003 1.800 498 HG3 PRO 64 2HG PRO 64 8.594 9.250 1.922 499 HD2 PRO 64 1HD PRO 64 8.061 10.802 4.076 500 HD3 PRO 64 2HD PRO 64 9.069 9.343 4.175 501 H GLN 65 H GLN 65 12.650 13.209 3.235 502 HA GLN 65 HA GLN 65 11.089 15.440 2.511 503 HB2 GLN 65 1HB GLN 65 14.013 14.988 2.974 504 HB3 GLN 65 2HB GLN 65 13.464 16.523 2.313 505 HG2 GLN 65 1HG GLN 65 12.235 17.040 4.240 506 HG3 GLN 65 2HG GLN 65 12.313 15.383 4.834 507 HE21 GLN 65 1HE2 GLN 65 13.400 15.493 6.677 508 HE22 GLN 65 2HE2 GLN 65 14.943 16.240 6.890 509 H THR 66 H THR 66 13.319 13.414 0.703 510 HA THR 66 HA THR 66 12.567 14.881 -1.741 511 HB THR 66 HB THR 66 14.740 14.261 -2.712 512 HG1 THR 66 1HG THR 66 16.323 13.333 -1.358 513 HG21 THR 66 1HG2 THR 66 14.570 16.432 -1.657 514 HG22 THR 66 2HG2 THR 66 16.160 15.747 -1.323 515 HG23 THR 66 3HG2 THR 66 14.911 15.727 -0.078 516 H GLU 67 H GLU 67 12.915 13.480 -3.751 517 HA GLU 67 HA GLU 67 11.194 11.297 -3.673 518 HB2 GLU 67 1HB GLU 67 11.576 12.387 -5.757 519 HB3 GLU 67 2HB GLU 67 13.307 12.090 -5.673 520 HG2 GLU 67 1HG GLU 67 12.841 9.659 -5.861 521 HG3 GLU 67 2HG GLU 67 11.140 10.050 -6.106 522 H ALA 68 H ALA 68 14.745 11.242 -4.022 523 HA ALA 68 HA ALA 68 15.324 8.625 -4.091 524 HB1 ALA 68 1HB ALA 68 16.974 9.824 -2.044 525 HB2 ALA 68 2HB ALA 68 17.399 9.311 -3.677 526 HB3 ALA 68 3HB ALA 68 16.732 10.920 -3.404 527 H ASP 69 H ASP 69 14.366 10.382 -1.168 528 HA ASP 69 HA ASP 69 14.636 8.155 0.580 529 HB2 ASP 69 1HB ASP 69 13.400 10.869 0.762 530 HB3 ASP 69 2HB ASP 69 12.977 9.668 1.979 531 H CYS 70 H CYS 70 11.939 9.535 -1.233 532 HA CYS 70 HA CYS 70 9.909 7.926 -0.125 533 HB2 CYS 70 1HB CYS 70 10.193 9.548 -2.622 534 HB3 CYS 70 2HB CYS 70 8.829 8.445 -2.476 535 HG CYS 70 HG CYS 70 8.197 11.184 -1.822 536 H ILE 71 H ILE 71 11.740 7.578 -3.161 537 HA ILE 71 HA ILE 71 10.618 5.228 -4.080 538 HB ILE 71 HB ILE 71 13.497 6.111 -4.314 539 HG12 ILE 71 1HG1 ILE 71 11.871 7.721 -5.217 540 HG13 ILE 71 2HG1 ILE 71 12.810 6.972 -6.504 541 HG21 ILE 71 1HG2 ILE 71 11.959 3.922 -5.674 542 HG22 ILE 71 2HG2 ILE 71 13.386 4.653 -6.407 543 HG23 ILE 71 3HG2 ILE 71 13.516 3.831 -4.852 544 HD11 ILE 71 1HD1 ILE 71 10.472 7.174 -7.117 545 HD12 ILE 71 2HD1 ILE 71 10.946 5.479 -6.994 546 HD13 ILE 71 3HD1 ILE 71 10.007 6.229 -5.703 547 H ASN 72 H ASN 72 13.449 5.589 -1.950 548 HA ASN 72 HA ASN 72 14.154 2.961 -1.614 549 HB2 ASN 72 1HB ASN 72 14.305 5.372 0.134 550 HB3 ASN 72 2HB ASN 72 14.652 3.805 0.861 551 HD21 ASN 72 1HD2 ASN 72 16.369 6.140 0.283 552 HD22 ASN 72 2HD2 ASN 72 17.680 5.520 -0.657 553 H ASN 73 H ASN 73 11.510 4.710 -0.082 554 HA ASN 73 HA ASN 73 10.800 2.756 1.812 555 HB2 ASN 73 1HB ASN 73 9.091 4.844 0.442 556 HB3 ASN 73 2HB ASN 73 8.591 3.904 1.845 557 HD21 ASN 73 1HD2 ASN 73 8.398 6.394 2.331 558 HD22 ASN 73 2HD2 ASN 73 9.724 7.037 3.234 559 H ILE 74 H ILE 74 9.600 3.361 -1.477 560 HA ILE 74 HA ILE 74 7.651 1.387 -1.588 561 HB ILE 74 HB ILE 74 9.437 2.314 -3.841 562 HG12 ILE 74 1HG1 ILE 74 6.669 3.278 -3.104 563 HG13 ILE 74 2HG1 ILE 74 8.145 4.093 -2.597 564 HG21 ILE 74 1HG2 ILE 74 6.851 0.782 -3.809 565 HG22 ILE 74 2HG2 ILE 74 7.430 1.646 -5.232 566 HG23 ILE 74 3HG2 ILE 74 8.383 0.327 -4.554 567 HD11 ILE 74 1HD1 ILE 74 8.127 5.225 -4.491 568 HD12 ILE 74 2HD1 ILE 74 8.329 3.716 -5.381 569 HD13 ILE 74 3HD1 ILE 74 6.711 4.329 -5.041 570 H ASN 75 H ASN 75 11.007 1.140 -2.784 571 HA ASN 75 HA ASN 75 11.034 -1.499 -3.522 572 HB2 ASN 75 1HB ASN 75 13.116 0.366 -2.484 573 HB3 ASN 75 2HB ASN 75 13.526 -1.343 -2.602 574 HD21 ASN 75 1HD2 ASN 75 12.773 1.553 -4.336 575 HD22 ASN 75 2HD2 ASN 75 13.195 0.971 -5.907 576 H ASP 76 H ASP 76 11.834 -0.219 -0.296 577 HA ASP 76 HA ASP 76 12.423 -2.535 1.035 578 HB2 ASP 76 1HB ASP 76 11.176 0.043 1.853 579 HB3 ASP 76 2HB ASP 76 11.115 -1.292 3.001 580 H PHE 77 H PHE 77 9.176 -1.146 0.593 581 HA PHE 77 HA PHE 77 7.700 -3.046 1.952 582 HB2 PHE 77 1HB PHE 77 6.575 -1.100 1.194 583 HB3 PHE 77 2HB PHE 77 7.041 -1.390 -0.479 584 HD1 PHE 77 1HD PHE 77 5.216 -3.177 2.246 585 HD2 PHE 77 2HD PHE 77 5.389 -2.131 -1.876 586 HE1 PHE 77 1HE PHE 77 3.087 -4.349 1.863 587 HE2 PHE 77 2HE PHE 77 3.260 -3.301 -2.266 588 HZ PHE 77 HZ PHE 77 2.106 -4.411 -0.395 589 H LEU 78 H LEU 78 8.737 -3.078 -1.441 590 HA LEU 78 HA LEU 78 7.469 -5.450 -2.204 591 HB2 LEU 78 1HB LEU 78 10.059 -4.273 -3.198 592 HB3 LEU 78 2HB LEU 78 9.149 -5.548 -4.006 593 HG LEU 78 HG LEU 78 7.989 -2.820 -3.491 594 HD11 LEU 78 1HD1 LEU 78 9.674 -2.135 -4.855 595 HD12 LEU 78 2HD1 LEU 78 8.534 -2.689 -6.081 596 HD13 LEU 78 3HD1 LEU 78 9.876 -3.724 -5.593 597 HD21 LEU 78 1HD2 LEU 78 7.248 -4.594 -5.756 598 HD22 LEU 78 2HD2 LEU 78 6.260 -3.461 -4.833 599 HD23 LEU 78 3HD2 LEU 78 6.685 -5.027 -4.142 600 H LYS 79 H LYS 79 10.675 -4.896 -0.807 601 HA LYS 79 HA LYS 79 11.866 -7.324 -0.990 602 HB2 LYS 79 1HB LYS 79 11.765 -5.637 1.518 603 HB3 LYS 79 2HB LYS 79 12.976 -6.857 1.146 604 HG2 LYS 79 1HG LYS 79 12.531 -4.511 -0.662 605 HG3 LYS 79 2HG LYS 79 13.566 -4.394 0.763 606 HD2 LYS 79 1HD LYS 79 14.603 -6.605 -0.264 607 HD3 LYS 79 2HD LYS 79 13.957 -5.923 -1.758 608 HE2 LYS 79 1HE LYS 79 15.271 -3.973 -1.549 609 HE3 LYS 79 2HE LYS 79 15.673 -4.332 0.129 610 HZ1 LYS 79 1HZ LYS 79 17.547 -4.839 -1.233 611 HZ2 LYS 79 2HZ LYS 79 16.616 -5.789 -2.278 612 HZ3 LYS 79 3HZ LYS 79 16.895 -6.304 -0.692 613 H GLY 80 H GLY 80 9.265 -6.441 1.234 614 HA2 GLY 80 1HA GLY 80 9.272 -9.070 2.465 615 HA3 GLY 80 2HA GLY 80 8.186 -7.741 2.844 616 H CYS 81 H CYS 81 7.261 -7.250 0.201 617 HA CYS 81 HA CYS 81 5.036 -8.850 0.054 618 HB2 CYS 81 1HB CYS 81 6.480 -7.400 -2.170 619 HB3 CYS 81 2HB CYS 81 4.884 -8.118 -2.350 620 HG CYS 81 HG CYS 81 5.786 -5.390 -0.531 621 H ALA 82 H ALA 82 8.156 -9.328 -1.539 622 HA ALA 82 HA ALA 82 7.637 -11.387 -3.252 623 HB1 ALA 82 1HB ALA 82 10.028 -12.157 -2.081 624 HB2 ALA 82 2HB ALA 82 9.830 -11.073 -3.458 625 HB3 ALA 82 3HB ALA 82 9.962 -10.413 -1.829 626 H THR 83 H THR 83 8.141 -11.620 0.248 627 HA THR 83 HA THR 83 8.222 -14.341 0.599 628 HB THR 83 HB THR 83 6.729 -12.400 2.375 629 HG1 THR 83 1HG THR 83 8.924 -12.638 3.488 630 HG21 THR 83 1HG2 THR 83 7.862 -15.153 2.845 631 HG22 THR 83 2HG2 THR 83 6.193 -14.619 3.041 632 HG23 THR 83 3HG2 THR 83 7.437 -14.050 4.153 633 H LEU 84 H LEU 84 5.357 -12.299 0.195 634 HA LEU 84 HA LEU 84 3.484 -14.414 0.548 635 HB2 LEU 84 1HB LEU 84 3.099 -11.790 -0.882 636 HB3 LEU 84 2HB LEU 84 1.832 -12.845 -0.260 637 HG LEU 84 HG LEU 84 3.843 -11.691 1.624 638 HD11 LEU 84 1HD1 LEU 84 3.262 -9.611 1.097 639 HD12 LEU 84 2HD1 LEU 84 1.660 -9.991 1.729 640 HD13 LEU 84 3HD1 LEU 84 1.991 -10.163 0.006 641 HD21 LEU 84 1HD2 LEU 84 2.395 -12.338 3.218 642 HD22 LEU 84 2HD2 LEU 84 1.781 -13.411 1.960 643 HD23 LEU 84 3HD2 LEU 84 0.981 -11.870 2.273 644 H GLN 85 H GLN 85 5.343 -13.245 -2.128 645 HA GLN 85 HA GLN 85 5.593 -13.978 -4.266 646 HB2 GLN 85 1HB GLN 85 4.036 -16.367 -3.260 647 HB3 GLN 85 2HB GLN 85 4.905 -16.294 -4.787 648 HG2 GLN 85 1HG GLN 85 7.003 -16.140 -3.677 649 HG3 GLN 85 2HG GLN 85 6.222 -15.923 -2.111 650 HE21 GLN 85 1HE2 GLN 85 7.523 -18.127 -4.296 651 HE22 GLN 85 2HE2 GLN 85 7.017 -19.584 -3.517 652 H VAL 86 H VAL 86 3.664 -12.124 -3.975 653 HA VAL 86 HA VAL 86 1.469 -13.084 -5.695 654 HB VAL 86 HB VAL 86 0.114 -11.217 -4.811 655 HG11 VAL 86 1HG1 VAL 86 1.216 -13.137 -2.764 656 HG12 VAL 86 2HG1 VAL 86 -0.248 -12.175 -2.549 657 HG13 VAL 86 3HG1 VAL 86 -0.170 -13.391 -3.824 658 HG21 VAL 86 1HG2 VAL 86 2.656 -10.597 -3.459 659 HG22 VAL 86 2HG2 VAL 86 1.351 -9.527 -3.971 660 HG23 VAL 86 3HG2 VAL 86 1.206 -10.436 -2.467 661 H GLU 87 H GLU 87 0.472 -11.210 -6.987 662 HA GLU 87 HA GLU 87 2.226 -10.321 -8.897 663 HB2 GLU 87 1HB GLU 87 -0.365 -9.047 -8.006 664 HB3 GLU 87 2HB GLU 87 0.487 -8.622 -9.484 665 HG2 GLU 87 1HG GLU 87 0.248 -10.964 -10.243 666 HG3 GLU 87 2HG GLU 87 -0.713 -11.296 -8.803 667 H ILE 88 H ILE 88 3.764 -8.826 -8.995 668 HA ILE 88 HA ILE 88 3.834 -6.762 -6.893 669 HB ILE 88 HB ILE 88 6.279 -6.665 -7.267 670 HG12 ILE 88 1HG1 ILE 88 6.170 -9.270 -8.720 671 HG13 ILE 88 2HG1 ILE 88 5.889 -7.794 -9.638 672 HG21 ILE 88 1HG2 ILE 88 6.755 -8.426 -5.856 673 HG22 ILE 88 2HG2 ILE 88 5.020 -8.230 -5.612 674 HG23 ILE 88 3HG2 ILE 88 5.623 -9.514 -6.660 675 HD11 ILE 88 1HD1 ILE 88 8.116 -7.096 -8.317 676 HD12 ILE 88 2HD1 ILE 88 8.360 -8.839 -8.438 677 HD13 ILE 88 3HD1 ILE 88 8.116 -7.879 -9.897 678 H PHE 89 H PHE 89 5.535 -4.959 -7.781 679 HA PHE 89 HA PHE 89 5.089 -4.273 -10.545 680 HB2 PHE 89 1HB PHE 89 4.027 -2.066 -9.975 681 HB3 PHE 89 2HB PHE 89 2.998 -3.467 -9.696 682 HD1 PHE 89 1HD PHE 89 5.215 -1.033 -8.000 683 HD2 PHE 89 2HD PHE 89 2.078 -3.880 -7.588 684 HE1 PHE 89 1HE PHE 89 4.863 -0.304 -5.677 685 HE2 PHE 89 2HE PHE 89 1.721 -3.156 -5.264 686 HZ PHE 89 HZ PHE 89 3.114 -1.365 -4.306 687 H ASP 90 H ASP 90 5.995 -1.969 -10.951 688 HA ASP 90 HA ASP 90 8.597 -1.872 -9.641 689 HB2 ASP 90 1HB ASP 90 7.470 -0.837 -12.199 690 HB3 ASP 90 2HB ASP 90 8.838 0.021 -11.495 691 HA PRO 91 HA PRO 91 7.862 1.691 -7.192 692 HB2 PRO 91 1HB PRO 91 10.200 3.049 -7.432 693 HB3 PRO 91 2HB PRO 91 10.051 1.551 -6.507 694 HG2 PRO 91 1HG PRO 91 11.084 1.966 -9.285 695 HG3 PRO 91 2HG PRO 91 11.736 0.945 -7.991 696 HD2 PRO 91 1HD PRO 91 10.255 -0.052 -10.027 697 HD3 PRO 91 2HD PRO 91 10.224 -0.748 -8.394 698 H ASP 92 H ASP 92 8.289 1.948 -10.536 699 HA ASP 92 HA ASP 92 8.015 4.835 -10.648 700 HB2 ASP 92 1HB ASP 92 9.327 4.163 -12.418 701 HB3 ASP 92 2HB ASP 92 8.445 2.655 -12.640 702 H ASP 93 H ASP 93 6.099 1.977 -11.531 703 HA ASP 93 HA ASP 93 3.852 3.282 -12.525 704 HB2 ASP 93 1HB ASP 93 2.821 1.229 -12.505 705 HB3 ASP 93 2HB ASP 93 4.500 0.719 -12.348 706 H LEU 94 H LEU 94 4.878 2.735 -9.236 707 HA LEU 94 HA LEU 94 2.343 3.537 -8.102 708 HB2 LEU 94 1HB LEU 94 3.556 1.917 -6.873 709 HB3 LEU 94 2HB LEU 94 5.031 2.880 -6.926 710 HG LEU 94 HG LEU 94 3.965 4.529 -5.422 711 HD11 LEU 94 1HD1 LEU 94 1.878 2.864 -4.403 712 HD12 LEU 94 2HD1 LEU 94 1.618 3.148 -6.123 713 HD13 LEU 94 3HD1 LEU 94 1.787 4.513 -5.020 714 HD21 LEU 94 1HD2 LEU 94 3.907 1.731 -4.302 715 HD22 LEU 94 2HD2 LEU 94 4.192 3.231 -3.419 716 HD23 LEU 94 3HD2 LEU 94 5.380 2.658 -4.590 717 H TYR 95 H TYR 95 5.609 4.898 -8.379 718 HA TYR 95 HA TYR 95 4.988 7.329 -7.048 719 HB2 TYR 95 1HB TYR 95 7.301 6.258 -7.510 720 HB3 TYR 95 2HB TYR 95 7.189 7.051 -9.077 721 HD1 TYR 95 1HD TYR 95 7.205 9.503 -9.234 722 HD2 TYR 95 2HD TYR 95 7.692 7.522 -5.500 723 HE1 TYR 95 1HE TYR 95 8.057 11.588 -8.246 724 HE2 TYR 95 2HE TYR 95 8.544 9.601 -4.501 725 HH TYR 95 HH TYR 95 9.251 11.689 -4.918 726 H SER 96 H SER 96 5.634 6.697 -10.501 727 HA SER 96 HA SER 96 4.635 9.236 -11.322 728 HB2 SER 96 1HB SER 96 5.327 6.723 -12.851 729 HB3 SER 96 2HB SER 96 4.771 8.201 -13.636 730 HG SER 96 HG SER 96 7.032 8.028 -11.928 731 H GLY 97 H GLY 97 3.419 5.980 -12.148 732 HA2 GLY 97 1HA GLY 97 1.056 5.507 -11.518 733 HA3 GLY 97 2HA GLY 97 0.694 7.125 -12.102 734 H VAL 98 H VAL 98 2.883 4.844 -13.649 735 HA VAL 98 HA VAL 98 1.585 5.159 -16.167 736 HB VAL 98 HB VAL 98 3.604 3.039 -15.438 737 HG11 VAL 98 1HG1 VAL 98 4.073 3.890 -18.010 738 HG12 VAL 98 2HG1 VAL 98 3.204 2.425 -17.549 739 HG13 VAL 98 3HG1 VAL 98 2.314 3.907 -17.901 740 HG21 VAL 98 1HG2 VAL 98 4.533 5.140 -14.758 741 HG22 VAL 98 2HG2 VAL 98 5.298 4.667 -16.275 742 HG23 VAL 98 3HG2 VAL 98 4.041 5.903 -16.270 743 H ASN 99 H ASN 99 1.933 2.378 -13.965 744 HA ASN 99 HA ASN 99 -0.547 1.283 -15.110 745 HB2 ASN 99 1HB ASN 99 2.103 -0.035 -14.746 746 HB3 ASN 99 2HB ASN 99 0.658 -1.000 -14.458 747 HD21 ASN 99 1HD2 ASN 99 0.490 -2.273 -16.171 748 HD22 ASN 99 2HD2 ASN 99 0.492 -1.747 -17.817 749 H PHE 100 H PHE 100 -0.944 2.749 -13.013 750 HA PHE 100 HA PHE 100 -0.455 1.803 -10.461 751 HB2 PHE 100 1HB PHE 100 -1.436 3.977 -10.785 752 HB3 PHE 100 2HB PHE 100 -2.862 3.275 -11.542 753 HD1 PHE 100 2HD PHE 100 -0.981 2.718 -8.363 754 HD2 PHE 100 1HD PHE 100 -4.736 3.411 -10.243 755 HE1 PHE 100 2HE PHE 100 -2.092 2.623 -6.170 756 HE2 PHE 100 1HE PHE 100 -5.854 3.318 -8.053 757 HZ PHE 100 HZ PHE 100 -4.532 2.922 -6.013 758 H SER 101 H SER 101 -2.941 0.838 -12.759 759 HA SER 101 HA SER 101 -4.736 -0.568 -11.346 760 HB2 SER 101 1HB SER 101 -3.401 -1.153 -13.958 761 HB3 SER 101 2HB SER 101 -4.485 -2.363 -13.272 762 HG SER 101 HG SER 101 -5.431 -0.707 -14.717 763 H LYS 102 H LYS 102 -1.424 -1.594 -11.987 764 HA LYS 102 HA LYS 102 -1.633 -4.191 -10.911 765 HB2 LYS 102 1HB LYS 102 0.691 -2.322 -11.328 766 HB3 LYS 102 2HB LYS 102 0.903 -3.913 -10.609 767 HG2 LYS 102 1HG LYS 102 -0.374 -4.725 -12.737 768 HG3 LYS 102 2HG LYS 102 0.156 -3.177 -13.397 769 HD2 LYS 102 1HD LYS 102 2.078 -5.054 -12.057 770 HD3 LYS 102 2HD LYS 102 1.664 -5.221 -13.764 771 HE2 LYS 102 1HE LYS 102 2.481 -2.542 -12.763 772 HE3 LYS 102 2HE LYS 102 3.728 -3.772 -12.966 773 HZ1 LYS 102 1HZ LYS 102 1.898 -2.712 -15.046 774 HZ2 LYS 102 2HZ LYS 102 2.894 -4.059 -15.277 775 HZ3 LYS 102 3HZ LYS 102 3.580 -2.542 -14.975 776 H VAL 103 H VAL 103 -0.079 -1.326 -9.450 777 HA VAL 103 HA VAL 103 0.470 -2.188 -6.961 778 HB VAL 103 HB VAL 103 -0.865 0.458 -7.553 779 HG11 VAL 103 1HG1 VAL 103 -0.657 0.916 -5.392 780 HG12 VAL 103 2HG1 VAL 103 -0.034 -0.710 -5.104 781 HG13 VAL 103 3HG1 VAL 103 1.077 0.607 -5.486 782 HG21 VAL 103 1HG2 VAL 103 0.960 0.565 -8.923 783 HG22 VAL 103 2HG2 VAL 103 1.695 1.109 -7.415 784 HG23 VAL 103 3HG2 VAL 103 1.901 -0.561 -7.944 785 H LEU 104 H LEU 104 -2.740 -1.338 -8.155 786 HA LEU 104 HA LEU 104 -4.081 -1.555 -5.673 787 HB2 LEU 104 1HB LEU 104 -4.970 -0.397 -7.676 788 HB3 LEU 104 2HB LEU 104 -5.196 -1.968 -8.443 789 HG LEU 104 HG LEU 104 -6.785 -2.547 -6.597 790 HD11 LEU 104 1HD1 LEU 104 -5.802 -0.714 -5.091 791 HD12 LEU 104 2HD1 LEU 104 -7.547 -0.962 -5.073 792 HD13 LEU 104 3HD1 LEU 104 -6.858 0.384 -5.980 793 HD21 LEU 104 1HD2 LEU 104 -8.540 -1.715 -7.772 794 HD22 LEU 104 2HD2 LEU 104 -7.260 -1.349 -8.929 795 HD23 LEU 104 3HD2 LEU 104 -7.862 -0.089 -7.851 796 H SER 105 H SER 105 -3.878 -3.816 -8.423 797 HA SER 105 HA SER 105 -5.259 -5.926 -7.205 798 HB2 SER 105 1HB SER 105 -4.028 -7.362 -8.898 799 HB3 SER 105 2HB SER 105 -4.930 -6.002 -9.569 800 HG SER 105 HG SER 105 -2.155 -5.947 -8.977 801 H THR 106 H THR 106 -1.912 -4.931 -7.016 802 HA THR 106 HA THR 106 -0.837 -7.278 -5.892 803 HB THR 106 HB THR 106 0.049 -4.399 -5.670 804 HG1 THR 106 1HG THR 106 0.691 -6.597 -7.326 805 HG21 THR 106 1HG2 THR 106 2.216 -5.328 -4.886 806 HG22 THR 106 2HG2 THR 106 1.447 -6.909 -4.740 807 HG23 THR 106 3HG2 THR 106 0.902 -5.567 -3.735 808 H LEU 107 H LEU 107 -2.180 -4.354 -4.392 809 HA LEU 107 HA LEU 107 -1.727 -5.240 -1.720 810 HB2 LEU 107 1HB LEU 107 -3.528 -3.105 -2.847 811 HB3 LEU 107 2HB LEU 107 -3.276 -3.377 -1.124 812 HG LEU 107 HG LEU 107 -1.054 -2.668 -3.030 813 HD11 LEU 107 1HD1 LEU 107 -1.409 -0.438 -1.572 814 HD12 LEU 107 2HD1 LEU 107 -3.080 -0.979 -1.716 815 HD13 LEU 107 3HD1 LEU 107 -2.121 -0.688 -3.166 816 HD21 LEU 107 1HD2 LEU 107 -0.616 -3.810 -0.781 817 HD22 LEU 107 2HD2 LEU 107 -1.145 -2.293 -0.054 818 HD23 LEU 107 3HD2 LEU 107 0.256 -2.316 -1.126 819 H LEU 108 H LEU 108 -4.261 -5.686 -4.048 820 HA LEU 108 HA LEU 108 -6.342 -6.400 -2.273 821 HB2 LEU 108 1HB LEU 108 -5.797 -6.756 -5.174 822 HB3 LEU 108 2HB LEU 108 -7.063 -7.739 -4.440 823 HG LEU 108 HG LEU 108 -7.007 -4.728 -4.313 824 HD11 LEU 108 1HD1 LEU 108 -7.152 -5.618 -6.648 825 HD12 LEU 108 2HD1 LEU 108 -8.547 -4.675 -6.125 826 HD13 LEU 108 3HD1 LEU 108 -8.643 -6.435 -6.176 827 HD21 LEU 108 1HD2 LEU 108 -9.380 -6.527 -3.986 828 HD22 LEU 108 2HD2 LEU 108 -9.161 -4.862 -3.447 829 HD23 LEU 108 3HD2 LEU 108 -8.313 -6.173 -2.626 830 H ALA 109 H ALA 109 -3.880 -8.298 -3.968 831 HA ALA 109 HA ALA 109 -4.802 -10.836 -3.140 832 HB1 ALA 109 1HB ALA 109 -2.326 -11.458 -3.616 833 HB2 ALA 109 2HB ALA 109 -3.361 -10.931 -4.944 834 HB3 ALA 109 3HB ALA 109 -2.213 -9.804 -4.219 835 H VAL 110 H VAL 110 -2.235 -8.730 -1.854 836 HA VAL 110 HA VAL 110 -1.319 -10.325 0.203 837 HB VAL 110 HB VAL 110 -1.639 -7.321 0.208 838 HG11 VAL 110 1HG1 VAL 110 -0.593 -9.189 2.203 839 HG12 VAL 110 2HG1 VAL 110 0.517 -7.882 1.786 840 HG13 VAL 110 3HG1 VAL 110 -1.103 -7.510 2.376 841 HG21 VAL 110 1HG2 VAL 110 0.391 -9.192 -0.891 842 HG22 VAL 110 2HG2 VAL 110 -0.205 -7.664 -1.538 843 HG23 VAL 110 3HG2 VAL 110 0.952 -7.666 -0.207 844 H ASN 111 H ASN 111 -3.924 -7.898 0.377 845 HA ASN 111 HA ASN 111 -4.640 -8.200 3.020 846 HB2 ASN 111 1HB ASN 111 -5.788 -6.473 2.030 847 HB3 ASN 111 2HB ASN 111 -6.101 -7.383 0.555 848 HD21 ASN 111 1HD2 ASN 111 -7.362 -6.289 3.470 849 HD22 ASN 111 2HD2 ASN 111 -8.841 -7.181 3.457 850 H LYS 112 H LYS 112 -5.654 -10.131 0.236 851 HA LYS 112 HA LYS 112 -7.550 -11.728 1.549 852 HB2 LYS 112 1HB LYS 112 -5.889 -12.059 -0.922 853 HB3 LYS 112 2HB LYS 112 -6.838 -13.415 -0.326 854 HG2 LYS 112 1HG LYS 112 -8.749 -11.580 -0.294 855 HG3 LYS 112 2HG LYS 112 -7.724 -10.860 -1.538 856 HD2 LYS 112 1HD LYS 112 -7.757 -13.038 -2.740 857 HD3 LYS 112 2HD LYS 112 -8.910 -13.635 -1.543 858 HE2 LYS 112 1HE LYS 112 -10.149 -12.913 -3.451 859 HE3 LYS 112 2HE LYS 112 -10.413 -11.738 -2.164 860 HZ1 LYS 112 1HZ LYS 112 -9.922 -10.293 -3.797 861 HZ2 LYS 112 2HZ LYS 112 -9.057 -11.422 -4.711 862 HZ3 LYS 112 3HZ LYS 112 -8.320 -10.657 -3.394 863 H ALA 113 H ALA 113 -4.140 -12.448 0.789 864 HA ALA 113 HA ALA 113 -3.968 -14.905 2.067 865 HB1 ALA 113 1HB ALA 113 -2.200 -13.160 0.789 866 HB2 ALA 113 2HB ALA 113 -1.518 -13.433 2.393 867 HB3 ALA 113 3HB ALA 113 -1.872 -14.803 1.340 868 H THR 114 H THR 114 -3.398 -11.658 3.382 869 HA THR 114 HA THR 114 -2.612 -12.481 5.959 870 HB THR 114 HB THR 114 -3.112 -10.184 6.673 871 HG1 THR 114 1HG THR 114 -4.842 -9.442 5.639 872 HG21 THR 114 1HG2 THR 114 -1.139 -10.928 5.037 873 HG22 THR 114 2HG2 THR 114 -1.350 -9.258 5.561 874 HG23 THR 114 3HG2 THR 114 -1.939 -9.767 3.980 875 H GLU 115 H GLU 115 -5.775 -11.491 4.674 876 HA GLU 115 HA GLU 115 -7.294 -11.527 6.955 877 HB2 GLU 115 1HB GLU 115 -7.887 -12.218 4.108 878 HB3 GLU 115 2HB GLU 115 -9.118 -12.509 5.328 879 HG2 GLU 115 1HG GLU 115 -7.914 -9.909 4.465 880 HG3 GLU 115 2HG GLU 115 -9.608 -10.395 4.483 881 H SER 116 H SER 116 -7.918 -13.005 8.391 882 HA SER 116 HA SER 116 -6.974 -15.709 8.152 883 HB2 SER 116 1HB SER 116 -8.550 -14.250 10.275 884 HB3 SER 116 2HB SER 116 -8.158 -15.965 10.396 885 HG SER 116 HG SER 116 -6.087 -14.177 9.832 886 H GLY 117 H GLY 117 -8.208 -17.597 8.067 887 HA2 GLY 117 1HA GLY 117 -11.072 -17.519 7.883 888 HA3 GLY 117 2HA GLY 117 -10.305 -17.730 6.316 889 HA PRO 118 HA PRO 118 -10.235 -22.058 7.035 890 HB2 PRO 118 1HB PRO 118 -8.187 -22.768 5.400 891 HB3 PRO 118 2HB PRO 118 -9.776 -22.282 4.795 892 HG2 PRO 118 1HG PRO 118 -7.260 -20.675 5.017 893 HG3 PRO 118 2HG PRO 118 -8.431 -20.741 3.688 894 HD2 PRO 118 1HD PRO 118 -8.399 -18.731 5.501 895 HD3 PRO 118 2HD PRO 118 -9.896 -19.305 4.738 896 H SER 119 H SER 119 -9.574 -22.767 8.974 897 HA SER 119 HA SER 119 -6.712 -22.550 9.640 898 HB2 SER 119 1HB SER 119 -8.358 -21.365 11.152 899 HB3 SER 119 2HB SER 119 -8.978 -22.954 11.599 900 HG SER 119 HG SER 119 -6.360 -21.941 11.997 901 H SER 120 H SER 120 -5.668 -24.335 10.594 902 HA SER 120 HA SER 120 -6.551 -26.866 9.589 903 HB2 SER 120 1HB SER 120 -4.225 -26.191 11.407 904 HB3 SER 120 2HB SER 120 -4.479 -27.741 10.604 905 HG SER 120 HG SER 120 -3.278 -26.790 9.134 906 H GLY 121 H GLY 121 -5.875 -25.678 12.888 907 HA2 GLY 121 1HA GLY 121 -8.184 -26.977 13.962 908 HA3 GLY 121 2HA GLY 121 -6.713 -27.865 14.333 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -25.889 2.129 -0.337 2 HA2 GLY 1 1HA GLY 1 -26.365 -0.581 -0.539 3 HA3 GLY 1 2HA GLY 1 -26.761 0.079 -2.119 4 H SER 2 H SER 2 -24.809 -1.729 -2.073 5 HA SER 2 HA SER 2 -22.222 -0.496 -1.739 6 HB2 SER 2 1HB SER 2 -21.344 -2.649 -2.571 7 HB3 SER 2 2HB SER 2 -22.505 -2.883 -1.264 8 HG SER 2 HG SER 2 -23.927 -3.708 -2.646 9 H SER 3 H SER 3 -22.421 1.278 -3.192 10 HA SER 3 HA SER 3 -22.502 0.586 -6.043 11 HB2 SER 3 1HB SER 3 -22.738 3.275 -4.673 12 HB3 SER 3 2HB SER 3 -22.829 3.013 -6.414 13 HG SER 3 HG SER 3 -24.590 1.438 -5.715 14 H GLY 4 H GLY 4 -20.456 -0.100 -6.513 15 HA2 GLY 4 1HA GLY 4 -18.378 0.597 -7.457 16 HA3 GLY 4 2HA GLY 4 -18.366 1.958 -6.345 17 H SER 5 H SER 5 -17.854 -1.504 -6.648 18 HA SER 5 HA SER 5 -16.213 -1.393 -4.204 19 HB2 SER 5 1HB SER 5 -16.864 -3.739 -3.746 20 HB3 SER 5 2HB SER 5 -18.251 -2.650 -3.724 21 HG SER 5 HG SER 5 -18.993 -3.524 -5.536 22 H SER 6 H SER 6 -15.183 -0.888 -6.729 23 HA SER 6 HA SER 6 -14.165 -3.125 -8.082 24 HB2 SER 6 1HB SER 6 -13.463 -0.228 -7.959 25 HB3 SER 6 2HB SER 6 -12.295 -1.332 -8.684 26 HG SER 6 HG SER 6 -14.535 -2.037 -9.738 27 H GLY 7 H GLY 7 -12.483 -0.972 -5.780 28 HA2 GLY 7 1HA GLY 7 -11.329 -2.912 -4.196 29 HA3 GLY 7 2HA GLY 7 -10.228 -2.709 -5.551 30 H GLU 8 H GLU 8 -10.648 0.089 -5.926 31 HA GLU 8 HA GLU 8 -8.668 1.213 -4.438 32 HB2 GLU 8 1HB GLU 8 -11.149 2.514 -5.560 33 HB3 GLU 8 2HB GLU 8 -9.816 3.429 -4.869 34 HG2 GLU 8 1HG GLU 8 -8.339 2.775 -6.566 35 HG3 GLU 8 2HG GLU 8 -9.403 1.477 -7.106 36 H GLU 9 H GLU 9 -12.144 1.491 -3.687 37 HA GLU 9 HA GLU 9 -11.829 2.829 -1.246 38 HB2 GLU 9 1HB GLU 9 -13.960 2.518 -2.605 39 HB3 GLU 9 2HB GLU 9 -14.078 0.923 -1.877 40 HG2 GLU 9 1HG GLU 9 -15.440 2.234 -0.542 41 HG3 GLU 9 2HG GLU 9 -13.932 2.150 0.367 42 H GLN 10 H GLN 10 -11.936 -0.612 -2.018 43 HA GLN 10 HA GLN 10 -12.083 -1.629 0.579 44 HB2 GLN 10 1HB GLN 10 -11.033 -2.688 -2.016 45 HB3 GLN 10 2HB GLN 10 -10.753 -3.597 -0.537 46 HG2 GLN 10 1HG GLN 10 -13.301 -3.350 -0.186 47 HG3 GLN 10 2HG GLN 10 -13.331 -2.971 -1.907 48 HE21 GLN 10 1HE2 GLN 10 -14.183 -4.722 -2.814 49 HE22 GLN 10 2HE2 GLN 10 -13.596 -6.335 -2.621 50 H ILE 11 H ILE 11 -9.244 -0.842 -1.404 51 HA ILE 11 HA ILE 11 -7.300 -1.659 0.454 52 HB ILE 11 HB ILE 11 -7.088 0.489 -1.659 53 HG12 ILE 11 1HG1 ILE 11 -7.663 -1.543 -2.745 54 HG13 ILE 11 2HG1 ILE 11 -5.917 -1.394 -2.911 55 HG21 ILE 11 1HG2 ILE 11 -4.836 0.588 -1.324 56 HG22 ILE 11 2HG2 ILE 11 -5.353 0.232 0.323 57 HG23 ILE 11 3HG2 ILE 11 -4.743 -1.061 -0.708 58 HD11 ILE 11 1HD1 ILE 11 -7.494 -3.251 -1.184 59 HD12 ILE 11 2HD1 ILE 11 -6.219 -3.614 -2.348 60 HD13 ILE 11 3HD1 ILE 11 -5.816 -2.865 -0.803 61 H VAL 12 H VAL 12 -8.835 1.489 -0.097 62 HA VAL 12 HA VAL 12 -7.347 3.025 1.678 63 HB VAL 12 HB VAL 12 -10.259 3.260 0.919 64 HG11 VAL 12 1HG1 VAL 12 -10.411 4.671 2.652 65 HG12 VAL 12 2HG1 VAL 12 -8.660 4.756 2.858 66 HG13 VAL 12 3HG1 VAL 12 -9.458 5.768 1.653 67 HG21 VAL 12 1HG2 VAL 12 -9.014 3.604 -1.014 68 HG22 VAL 12 2HG2 VAL 12 -9.236 5.239 -0.390 69 HG23 VAL 12 3HG2 VAL 12 -7.702 4.402 -0.147 70 H THR 13 H THR 13 -10.552 1.595 2.331 71 HA THR 13 HA THR 13 -10.571 2.119 5.074 72 HB THR 13 HB THR 13 -11.940 -0.189 3.681 73 HG1 THR 13 1HG THR 13 -13.567 1.238 3.237 74 HG21 THR 13 1HG2 THR 13 -12.781 1.291 6.170 75 HG22 THR 13 2HG2 THR 13 -11.861 -0.213 6.199 76 HG23 THR 13 3HG2 THR 13 -13.480 -0.182 5.501 77 H TRP 14 H TRP 14 -9.361 -0.664 3.271 78 HA TRP 14 HA TRP 14 -8.876 -2.398 5.397 79 HB2 TRP 14 1HB TRP 14 -8.711 -3.148 3.098 80 HB3 TRP 14 2HB TRP 14 -7.359 -2.059 2.803 81 HD1 TRP 14 HD TRP 14 -7.745 -4.473 5.804 82 HE1 TRP 14 1HE TRP 14 -5.737 -6.083 5.793 83 HE3 TRP 14 3HE TRP 14 -5.522 -2.968 1.453 84 HZ2 TRP 14 2HZ TRP 14 -3.505 -6.641 4.157 85 HZ3 TRP 14 3HZ TRP 14 -3.453 -4.091 0.736 86 HH2 TRP 14 HH TRP 14 -2.467 -5.888 2.062 87 H LEU 15 H LEU 15 -6.559 -0.178 3.833 88 HA LEU 15 HA LEU 15 -4.391 -0.577 5.475 89 HB2 LEU 15 1HB LEU 15 -5.358 1.952 4.160 90 HB3 LEU 15 2HB LEU 15 -3.788 1.806 4.948 91 HG LEU 15 HG LEU 15 -4.634 0.066 2.640 92 HD11 LEU 15 1HD1 LEU 15 -4.458 1.859 1.335 93 HD12 LEU 15 2HD1 LEU 15 -2.737 1.856 1.718 94 HD13 LEU 15 3HD1 LEU 15 -3.847 2.855 2.656 95 HD21 LEU 15 1HD2 LEU 15 -2.536 -0.137 4.429 96 HD22 LEU 15 2HD2 LEU 15 -1.815 0.640 3.019 97 HD23 LEU 15 3HD2 LEU 15 -2.642 -0.909 2.847 98 H ILE 16 H ILE 16 -6.914 1.905 5.908 99 HA ILE 16 HA ILE 16 -6.000 2.928 8.333 100 HB ILE 16 HB ILE 16 -8.862 2.720 7.387 101 HG12 ILE 16 1HG1 ILE 16 -6.952 5.048 7.136 102 HG13 ILE 16 2HG1 ILE 16 -7.226 3.878 5.849 103 HG21 ILE 16 1HG2 ILE 16 -9.507 4.116 9.062 104 HG22 ILE 16 2HG2 ILE 16 -8.173 3.308 9.883 105 HG23 ILE 16 3HG2 ILE 16 -7.931 4.901 9.166 106 HD11 ILE 16 1HD1 ILE 16 -9.357 5.607 7.080 107 HD12 ILE 16 2HD1 ILE 16 -8.516 5.950 5.568 108 HD13 ILE 16 3HD1 ILE 16 -9.540 4.521 5.703 109 H SER 17 H SER 17 -8.607 0.541 7.833 110 HA SER 17 HA SER 17 -9.328 -0.088 10.343 111 HB2 SER 17 1HB SER 17 -10.200 -1.230 8.332 112 HB3 SER 17 2HB SER 17 -8.698 -2.148 8.213 113 HG SER 17 HG SER 17 -10.733 -2.312 10.154 114 H LEU 18 H LEU 18 -6.384 -1.254 8.752 115 HA LEU 18 HA LEU 18 -5.494 -2.895 10.862 116 HB2 LEU 18 1HB LEU 18 -4.123 -1.554 8.559 117 HB3 LEU 18 2HB LEU 18 -3.205 -2.463 9.759 118 HG LEU 18 HG LEU 18 -5.438 -3.631 8.101 119 HD11 LEU 18 1HD1 LEU 18 -2.539 -4.199 7.660 120 HD12 LEU 18 2HD1 LEU 18 -3.294 -2.801 6.896 121 HD13 LEU 18 3HD1 LEU 18 -3.906 -4.422 6.568 122 HD21 LEU 18 1HD2 LEU 18 -3.967 -4.544 10.384 123 HD22 LEU 18 2HD2 LEU 18 -3.605 -5.565 8.992 124 HD23 LEU 18 3HD2 LEU 18 -5.276 -5.338 9.509 125 H GLY 19 H GLY 19 -4.750 0.479 10.025 126 HA2 GLY 19 1HA GLY 19 -4.612 2.038 11.933 127 HA3 GLY 19 2HA GLY 19 -3.682 0.799 12.763 128 H VAL 20 H VAL 20 -3.340 1.777 9.389 129 HA VAL 20 HA VAL 20 -0.656 2.807 10.044 130 HB VAL 20 HB VAL 20 0.058 2.066 7.786 131 HG11 VAL 20 1HG1 VAL 20 0.633 0.679 9.645 132 HG12 VAL 20 2HG1 VAL 20 -0.977 -0.046 9.670 133 HG13 VAL 20 3HG1 VAL 20 0.118 -0.372 8.326 134 HG21 VAL 20 1HG2 VAL 20 -2.589 0.620 7.737 135 HG22 VAL 20 2HG2 VAL 20 -2.174 2.022 6.750 136 HG23 VAL 20 3HG2 VAL 20 -1.309 0.501 6.529 137 H LEU 21 H LEU 21 -3.473 3.086 7.938 138 HA LEU 21 HA LEU 21 -2.473 5.612 6.863 139 HB2 LEU 21 1HB LEU 21 -3.422 3.990 5.305 140 HB3 LEU 21 2HB LEU 21 -4.945 4.020 6.191 141 HG LEU 21 HG LEU 21 -5.086 6.480 5.583 142 HD11 LEU 21 1HD1 LEU 21 -3.444 7.459 4.464 143 HD12 LEU 21 2HD1 LEU 21 -3.524 6.235 3.196 144 HD13 LEU 21 3HD1 LEU 21 -2.501 5.975 4.609 145 HD21 LEU 21 1HD2 LEU 21 -5.525 5.750 3.052 146 HD22 LEU 21 2HD2 LEU 21 -6.603 5.306 4.376 147 HD23 LEU 21 3HD2 LEU 21 -5.407 4.151 3.787 148 H GLU 22 H GLU 22 -3.640 7.558 7.015 149 HA GLU 22 HA GLU 22 -4.883 8.003 9.527 150 HB2 GLU 22 1HB GLU 22 -5.223 10.298 8.727 151 HB3 GLU 22 2HB GLU 22 -3.582 9.745 8.421 152 HG2 GLU 22 1HG GLU 22 -4.556 9.099 6.083 153 HG3 GLU 22 2HG GLU 22 -5.790 10.287 6.500 154 H SER 23 H SER 23 -7.022 8.627 9.987 155 HA SER 23 HA SER 23 -8.987 7.644 8.026 156 HB2 SER 23 1HB SER 23 -10.473 7.245 9.969 157 HB3 SER 23 2HB SER 23 -8.964 6.340 10.091 158 HG SER 23 HG SER 23 -8.387 7.505 11.766 159 HA PRO 24 HA PRO 24 -9.707 12.192 8.232 160 HB2 PRO 24 1HB PRO 24 -10.343 12.423 5.603 161 HB3 PRO 24 2HB PRO 24 -8.679 12.464 6.195 162 HG2 PRO 24 1HG PRO 24 -10.199 10.192 4.976 163 HG3 PRO 24 2HG PRO 24 -8.527 10.704 4.683 164 HD2 PRO 24 1HD PRO 24 -9.152 8.621 6.297 165 HD3 PRO 24 2HD PRO 24 -7.743 9.663 6.584 166 H LYS 25 H LYS 25 -11.610 12.537 9.204 167 HA LYS 25 HA LYS 25 -13.920 11.195 9.203 168 HB2 LYS 25 1HB LYS 25 -13.465 13.307 10.456 169 HB3 LYS 25 2HB LYS 25 -13.821 14.209 8.989 170 HG2 LYS 25 1HG LYS 25 -16.075 12.867 9.093 171 HG3 LYS 25 2HG LYS 25 -15.656 12.730 10.803 172 HD2 LYS 25 1HD LYS 25 -15.409 15.199 10.886 173 HD3 LYS 25 2HD LYS 25 -15.966 15.277 9.213 174 HE2 LYS 25 1HE LYS 25 -18.095 14.322 9.838 175 HE3 LYS 25 2HE LYS 25 -17.539 14.087 11.494 176 HZ1 LYS 25 1HZ LYS 25 -18.440 16.069 11.884 177 HZ2 LYS 25 2HZ LYS 25 -18.585 16.442 10.240 178 HZ3 LYS 25 3HZ LYS 25 -17.128 16.735 11.049 179 H LYS 26 H LYS 26 -13.297 13.816 6.862 180 HA LYS 26 HA LYS 26 -15.570 13.626 5.341 181 HB2 LYS 26 1HB LYS 26 -13.485 15.191 5.143 182 HB3 LYS 26 2HB LYS 26 -12.920 13.993 3.986 183 HG2 LYS 26 1HG LYS 26 -14.590 14.471 2.471 184 HG3 LYS 26 2HG LYS 26 -15.657 15.150 3.702 185 HD2 LYS 26 1HD LYS 26 -13.743 16.931 3.929 186 HD3 LYS 26 2HD LYS 26 -13.334 16.393 2.299 187 HE2 LYS 26 1HE LYS 26 -15.614 16.891 1.566 188 HE3 LYS 26 2HE LYS 26 -16.025 17.421 3.196 189 HZ1 LYS 26 1HZ LYS 26 -14.962 19.368 2.927 190 HZ2 LYS 26 2HZ LYS 26 -15.210 19.070 1.281 191 HZ3 LYS 26 3HZ LYS 26 -13.718 18.707 1.990 192 H THR 27 H THR 27 -15.691 12.783 3.030 193 HA THR 27 HA THR 27 -14.687 10.012 2.977 194 HB THR 27 HB THR 27 -17.055 10.807 1.346 195 HG1 THR 27 1HG THR 27 -16.945 10.734 4.139 196 HG21 THR 27 1HG2 THR 27 -16.369 8.312 2.905 197 HG22 THR 27 2HG2 THR 27 -16.077 8.552 1.182 198 HG23 THR 27 3HG2 THR 27 -17.728 8.512 1.800 199 H ILE 28 H ILE 28 -13.061 9.820 1.585 200 HA ILE 28 HA ILE 28 -12.528 11.629 -0.518 201 HB ILE 28 HB ILE 28 -11.474 8.824 -0.132 202 HG12 ILE 28 1HG1 ILE 28 -9.914 11.290 0.501 203 HG13 ILE 28 2HG1 ILE 28 -11.146 10.768 1.644 204 HG21 ILE 28 1HG2 ILE 28 -10.835 10.998 -2.056 205 HG22 ILE 28 2HG2 ILE 28 -9.513 10.004 -1.445 206 HG23 ILE 28 3HG2 ILE 28 -10.864 9.250 -2.292 207 HD11 ILE 28 1HD1 ILE 28 -10.046 8.745 2.067 208 HD12 ILE 28 2HD1 ILE 28 -9.009 8.917 0.650 209 HD13 ILE 28 3HD1 ILE 28 -8.777 9.970 2.045 210 H CYS 29 H CYS 29 -13.816 11.852 -2.228 211 HA CYS 29 HA CYS 29 -15.497 9.785 -3.222 212 HB2 CYS 29 1HB CYS 29 -15.839 12.324 -3.391 213 HB3 CYS 29 2HB CYS 29 -14.722 12.263 -4.749 214 HG CYS 29 HG CYS 29 -17.903 11.136 -4.544 215 H ASP 30 H ASP 30 -12.452 11.209 -4.339 216 HA ASP 30 HA ASP 30 -12.255 9.080 -6.359 217 HB2 ASP 30 1HB ASP 30 -12.093 11.578 -6.993 218 HB3 ASP 30 2HB ASP 30 -10.494 11.517 -6.256 219 HA PRO 31 HA PRO 31 -9.289 7.754 -3.100 220 HB2 PRO 31 1HB PRO 31 -9.718 5.103 -3.492 221 HB3 PRO 31 2HB PRO 31 -10.738 6.096 -2.444 222 HG2 PRO 31 1HG PRO 31 -11.212 5.214 -5.266 223 HG3 PRO 31 2HG PRO 31 -12.346 5.263 -3.903 224 HD2 PRO 31 1HD PRO 31 -12.295 7.170 -5.824 225 HD3 PRO 31 2HD PRO 31 -12.729 7.523 -4.139 226 H GLU 32 H GLU 32 -9.642 7.194 -6.480 227 HA GLU 32 HA GLU 32 -7.447 5.546 -7.006 228 HB2 GLU 32 1HB GLU 32 -9.190 6.134 -8.663 229 HB3 GLU 32 2HB GLU 32 -8.542 7.766 -8.741 230 HG2 GLU 32 1HG GLU 32 -6.494 6.983 -9.686 231 HG3 GLU 32 2HG GLU 32 -6.960 5.303 -9.427 232 H GLU 33 H GLU 33 -7.637 9.105 -7.087 233 HA GLU 33 HA GLU 33 -4.826 9.419 -7.478 234 HB2 GLU 33 1HB GLU 33 -7.104 11.274 -6.894 235 HB3 GLU 33 2HB GLU 33 -5.451 11.855 -6.749 236 HG2 GLU 33 1HG GLU 33 -6.219 10.442 -9.242 237 HG3 GLU 33 2HG GLU 33 -6.818 12.080 -8.990 238 H PHE 34 H PHE 34 -6.995 9.695 -4.695 239 HA PHE 34 HA PHE 34 -5.159 10.646 -2.825 240 HB2 PHE 34 1HB PHE 34 -7.560 10.563 -2.379 241 HB3 PHE 34 2HB PHE 34 -7.520 8.803 -2.395 242 HD1 PHE 34 2HD PHE 34 -6.627 11.817 -0.517 243 HD2 PHE 34 1HD PHE 34 -6.660 7.560 -0.527 244 HE1 PHE 34 2HE PHE 34 -6.164 11.811 1.899 245 HE2 PHE 34 1HE PHE 34 -6.198 7.548 1.890 246 HZ PHE 34 HZ PHE 34 -5.948 9.675 3.106 247 H LEU 35 H LEU 35 -5.926 7.326 -3.785 248 HA LEU 35 HA LEU 35 -4.226 6.077 -1.890 249 HB2 LEU 35 1HB LEU 35 -5.590 5.215 -4.402 250 HB3 LEU 35 2HB LEU 35 -4.379 4.166 -3.667 251 HG LEU 35 HG LEU 35 -6.826 5.162 -2.216 252 HD11 LEU 35 1HD1 LEU 35 -6.397 2.745 -3.925 253 HD12 LEU 35 2HD1 LEU 35 -7.771 3.849 -3.873 254 HD13 LEU 35 3HD1 LEU 35 -7.515 2.697 -2.562 255 HD21 LEU 35 1HD2 LEU 35 -5.955 2.764 -1.143 256 HD22 LEU 35 2HD2 LEU 35 -5.713 4.371 -0.457 257 HD23 LEU 35 3HD2 LEU 35 -4.466 3.649 -1.475 258 H LYS 36 H LYS 36 -3.809 6.931 -5.310 259 HA LYS 36 HA LYS 36 -1.260 5.849 -5.675 260 HB2 LYS 36 1HB LYS 36 -2.557 8.252 -6.968 261 HB3 LYS 36 2HB LYS 36 -1.052 7.532 -7.521 262 HG2 LYS 36 1HG LYS 36 -2.087 5.672 -8.363 263 HG3 LYS 36 2HG LYS 36 -3.453 5.796 -7.252 264 HD2 LYS 36 1HD LYS 36 -4.461 6.481 -9.187 265 HD3 LYS 36 2HD LYS 36 -3.880 8.036 -8.588 266 HE2 LYS 36 1HE LYS 36 -1.758 7.504 -9.966 267 HE3 LYS 36 2HE LYS 36 -2.779 6.324 -10.786 268 HZ1 LYS 36 1HZ LYS 36 -4.225 8.020 -11.522 269 HZ2 LYS 36 2HZ LYS 36 -2.659 8.567 -11.852 270 HZ3 LYS 36 3HZ LYS 36 -3.508 9.185 -10.525 271 H SER 37 H SER 37 -2.276 8.967 -4.384 272 HA SER 37 HA SER 37 0.337 10.086 -4.248 273 HB2 SER 37 1HB SER 37 -1.421 11.656 -4.243 274 HB3 SER 37 2HB SER 37 -2.302 10.796 -2.980 275 HG SER 37 HG SER 37 0.237 11.968 -2.546 276 H SER 38 H SER 38 -1.686 8.278 -2.002 277 HA SER 38 HA SER 38 -0.020 8.620 0.268 278 HB2 SER 38 1HB SER 38 -2.452 7.897 0.276 279 HB3 SER 38 2HB SER 38 -1.894 6.302 -0.227 280 HG SER 38 HG SER 38 -1.546 7.629 2.213 281 H LEU 39 H LEU 39 -0.414 5.909 -2.008 282 HA LEU 39 HA LEU 39 1.657 4.337 -0.884 283 HB2 LEU 39 1HB LEU 39 0.659 4.220 -3.721 284 HB3 LEU 39 2HB LEU 39 1.420 2.928 -2.794 285 HG LEU 39 HG LEU 39 -1.190 4.074 -1.886 286 HD11 LEU 39 1HD1 LEU 39 -0.709 2.560 -4.346 287 HD12 LEU 39 2HD1 LEU 39 -2.103 3.522 -3.855 288 HD13 LEU 39 3HD1 LEU 39 -1.932 1.862 -3.284 289 HD21 LEU 39 1HD2 LEU 39 -1.145 2.373 -0.453 290 HD22 LEU 39 2HD2 LEU 39 0.527 2.107 -0.946 291 HD23 LEU 39 3HD2 LEU 39 -0.777 1.214 -1.730 292 H LYS 40 H LYS 40 1.548 6.621 -3.581 293 HA LYS 40 HA LYS 40 3.847 6.344 -4.897 294 HB2 LYS 40 1HB LYS 40 2.484 8.231 -5.386 295 HB3 LYS 40 2HB LYS 40 2.691 8.889 -3.768 296 HG2 LYS 40 1HG LYS 40 5.164 9.094 -4.350 297 HG3 LYS 40 2HG LYS 40 4.667 8.813 -6.021 298 HD2 LYS 40 1HD LYS 40 3.363 10.778 -6.068 299 HD3 LYS 40 2HD LYS 40 3.420 10.952 -4.312 300 HE2 LYS 40 1HE LYS 40 5.542 11.811 -4.331 301 HE3 LYS 40 2HE LYS 40 5.987 10.968 -5.814 302 HZ1 LYS 40 1HZ LYS 40 5.012 13.603 -5.492 303 HZ2 LYS 40 2HZ LYS 40 3.967 12.729 -6.494 304 HZ3 LYS 40 3HZ LYS 40 5.608 12.853 -6.887 305 H ASN 41 H ASN 41 3.714 8.131 -1.809 306 HA ASN 41 HA ASN 41 6.410 8.590 -1.472 307 HB2 ASN 41 1HB ASN 41 4.109 8.276 0.397 308 HB3 ASN 41 2HB ASN 41 5.729 8.275 1.086 309 HD21 ASN 41 1HD2 ASN 41 5.239 10.220 2.159 310 HD22 ASN 41 2HD2 ASN 41 5.237 11.729 1.319 311 H GLY 42 H GLY 42 4.549 5.699 -0.627 312 HA2 GLY 42 1HA GLY 42 5.424 3.507 -0.680 313 HA3 GLY 42 2HA GLY 42 7.046 4.177 -0.583 314 H VAL 43 H VAL 43 6.255 5.945 1.670 315 HA VAL 43 HA VAL 43 7.075 4.334 3.795 316 HB VAL 43 HB VAL 43 7.305 6.744 3.895 317 HG11 VAL 43 1HG1 VAL 43 4.623 7.484 4.615 318 HG12 VAL 43 2HG1 VAL 43 5.671 8.152 3.361 319 HG13 VAL 43 3HG1 VAL 43 4.649 6.758 3.008 320 HG21 VAL 43 1HG2 VAL 43 6.120 7.106 6.174 321 HG22 VAL 43 2HG2 VAL 43 5.668 5.409 6.015 322 HG23 VAL 43 3HG2 VAL 43 7.371 5.870 6.040 323 H VAL 44 H VAL 44 3.871 5.077 2.588 324 HA VAL 44 HA VAL 44 2.400 4.133 4.812 325 HB VAL 44 HB VAL 44 1.613 4.353 1.905 326 HG11 VAL 44 1HG1 VAL 44 -0.303 3.334 2.368 327 HG12 VAL 44 2HG1 VAL 44 0.299 2.972 3.987 328 HG13 VAL 44 3HG1 VAL 44 -0.609 4.455 3.694 329 HG21 VAL 44 1HG2 VAL 44 0.729 6.445 2.404 330 HG22 VAL 44 2HG2 VAL 44 0.706 6.133 4.139 331 HG23 VAL 44 3HG2 VAL 44 2.238 6.424 3.316 332 H LEU 45 H LEU 45 3.615 2.568 1.892 333 HA LEU 45 HA LEU 45 2.308 0.080 2.350 334 HB2 LEU 45 1HB LEU 45 4.651 0.865 0.634 335 HB3 LEU 45 2HB LEU 45 3.994 -0.770 0.678 336 HG LEU 45 HG LEU 45 2.196 1.521 0.010 337 HD11 LEU 45 1HD1 LEU 45 4.375 1.573 -1.361 338 HD12 LEU 45 2HD1 LEU 45 2.836 1.604 -2.220 339 HD13 LEU 45 3HD1 LEU 45 3.757 0.103 -2.115 340 HD21 LEU 45 1HD2 LEU 45 1.217 -0.295 -1.447 341 HD22 LEU 45 2HD2 LEU 45 1.095 -0.552 0.294 342 HD23 LEU 45 3HD2 LEU 45 2.318 -1.413 -0.642 343 H CYS 46 H CYS 46 5.513 1.358 3.098 344 HA CYS 46 HA CYS 46 6.707 -1.002 3.998 345 HB2 CYS 46 1HB CYS 46 7.166 1.849 4.899 346 HB3 CYS 46 2HB CYS 46 8.224 0.497 5.285 347 HG CYS 46 HG CYS 46 7.567 1.408 2.060 348 H LYS 47 H LYS 47 4.621 1.305 5.647 349 HA LYS 47 HA LYS 47 4.930 0.107 8.230 350 HB2 LYS 47 1HB LYS 47 2.889 2.053 7.144 351 HB3 LYS 47 2HB LYS 47 2.969 1.551 8.828 352 HG2 LYS 47 1HG LYS 47 5.334 2.419 8.854 353 HG3 LYS 47 2HG LYS 47 4.999 3.130 7.273 354 HD2 LYS 47 1HD LYS 47 3.402 4.598 8.141 355 HD3 LYS 47 2HD LYS 47 3.205 3.655 9.620 356 HE2 LYS 47 1HE LYS 47 5.742 4.252 9.952 357 HE3 LYS 47 2HE LYS 47 5.353 5.578 8.858 358 HZ1 LYS 47 1HZ LYS 47 4.974 5.570 11.550 359 HZ2 LYS 47 2HZ LYS 47 3.422 5.265 10.950 360 HZ3 LYS 47 3HZ LYS 47 4.263 6.648 10.457 361 H LEU 48 H LEU 48 2.826 -0.363 5.500 362 HA LEU 48 HA LEU 48 0.757 -1.765 6.831 363 HB2 LEU 48 1HB LEU 48 0.360 -0.836 4.663 364 HB3 LEU 48 2HB LEU 48 1.678 -1.775 3.964 365 HG LEU 48 HG LEU 48 0.360 -3.841 4.417 366 HD11 LEU 48 1HD1 LEU 48 -1.038 -3.004 6.219 367 HD12 LEU 48 2HD1 LEU 48 -2.030 -3.607 4.892 368 HD13 LEU 48 3HD1 LEU 48 -1.814 -1.871 5.113 369 HD21 LEU 48 1HD2 LEU 48 -0.155 -1.779 2.460 370 HD22 LEU 48 2HD2 LEU 48 -1.591 -2.760 2.755 371 HD23 LEU 48 3HD2 LEU 48 -0.082 -3.530 2.260 372 H ILE 49 H ILE 49 3.191 -3.101 4.591 373 HA ILE 49 HA ILE 49 2.831 -5.766 5.156 374 HB ILE 49 HB ILE 49 4.279 -4.953 3.346 375 HG12 ILE 49 1HG1 ILE 49 6.193 -6.593 3.751 376 HG13 ILE 49 2HG1 ILE 49 5.486 -6.871 5.339 377 HG21 ILE 49 1HG2 ILE 49 5.437 -3.381 5.253 378 HG22 ILE 49 2HG2 ILE 49 6.656 -4.633 5.017 379 HG23 ILE 49 3HG2 ILE 49 6.096 -3.679 3.645 380 HD11 ILE 49 1HD1 ILE 49 3.323 -7.262 3.808 381 HD12 ILE 49 2HD1 ILE 49 4.588 -7.756 2.682 382 HD13 ILE 49 3HD1 ILE 49 4.451 -8.543 4.254 383 H ASN 50 H ASN 50 4.487 -3.355 7.047 384 HA ASN 50 HA ASN 50 5.957 -5.099 8.720 385 HB2 ASN 50 1HB ASN 50 4.991 -2.263 9.066 386 HB3 ASN 50 2HB ASN 50 5.936 -3.091 10.299 387 HD21 ASN 50 1HD2 ASN 50 7.047 -0.908 9.447 388 HD22 ASN 50 2HD2 ASN 50 8.338 -1.205 8.337 389 H ARG 51 H ARG 51 2.730 -3.675 8.972 390 HA ARG 51 HA ARG 51 2.189 -4.705 11.570 391 HB2 ARG 51 1HB ARG 51 1.009 -2.757 10.580 392 HB3 ARG 51 2HB ARG 51 0.233 -3.841 9.433 393 HG2 ARG 51 1HG ARG 51 -1.406 -3.663 11.008 394 HG3 ARG 51 2HG ARG 51 -0.541 -5.077 11.615 395 HD2 ARG 51 1HD ARG 51 -0.948 -3.631 13.466 396 HD3 ARG 51 2HD ARG 51 0.771 -3.541 13.087 397 HE ARG 51 HE ARG 51 -0.307 -1.475 11.694 398 HH11 ARG 51 1HH1 ARG 51 -0.422 -2.471 15.028 399 HH12 ARG 51 2HH1 ARG 51 -0.587 -0.858 15.639 400 HH21 ARG 51 1HH2 ARG 51 -0.524 0.653 12.487 401 HH22 ARG 51 2HH2 ARG 51 -0.646 0.918 14.193 402 H LEU 52 H LEU 52 1.653 -5.872 8.298 403 HA LEU 52 HA LEU 52 -0.048 -8.030 8.972 404 HB2 LEU 52 1HB LEU 52 1.825 -7.801 6.623 405 HB3 LEU 52 2HB LEU 52 0.434 -8.876 6.757 406 HG LEU 52 HG LEU 52 0.316 -5.863 6.628 407 HD11 LEU 52 1HD1 LEU 52 -0.933 -7.391 4.493 408 HD12 LEU 52 2HD1 LEU 52 0.814 -7.621 4.571 409 HD13 LEU 52 3HD1 LEU 52 0.145 -5.997 4.411 410 HD21 LEU 52 1HD2 LEU 52 -1.665 -7.960 7.221 411 HD22 LEU 52 2HD2 LEU 52 -2.169 -6.737 6.054 412 HD23 LEU 52 3HD2 LEU 52 -1.644 -6.254 7.668 413 H MET 53 H MET 53 3.446 -7.912 8.282 414 HA MET 53 HA MET 53 3.713 -10.468 9.726 415 HB2 MET 53 1HB MET 53 5.249 -9.404 7.358 416 HB3 MET 53 2HB MET 53 5.825 -10.748 8.335 417 HG2 MET 53 1HG MET 53 3.096 -10.815 7.122 418 HG3 MET 53 2HG MET 53 4.518 -11.224 6.165 419 HE1 MET 53 1HE MET 53 5.021 -14.733 6.725 420 HE2 MET 53 2HE MET 53 3.669 -14.041 5.828 421 HE3 MET 53 3HE MET 53 5.244 -13.245 5.804 422 HA PRO 54 HA PRO 54 6.165 -8.195 12.617 423 HB2 PRO 54 1HB PRO 54 7.266 -10.319 13.900 424 HB3 PRO 54 2HB PRO 54 5.587 -9.819 14.136 425 HG2 PRO 54 1HG PRO 54 6.688 -12.006 12.414 426 HG3 PRO 54 2HG PRO 54 5.264 -12.023 13.470 427 HD2 PRO 54 1HD PRO 54 5.084 -11.700 10.788 428 HD3 PRO 54 2HD PRO 54 3.944 -10.943 11.919 429 H GLY 55 H GLY 55 7.725 -7.196 11.340 430 HA2 GLY 55 1HA GLY 55 10.079 -6.886 11.158 431 HA3 GLY 55 2HA GLY 55 10.283 -8.631 11.212 432 H SER 56 H SER 56 8.343 -6.444 9.173 433 HA SER 56 HA SER 56 9.121 -7.972 6.827 434 HB2 SER 56 1HB SER 56 7.289 -5.569 7.021 435 HB3 SER 56 2HB SER 56 7.452 -6.657 5.643 436 HG SER 56 HG SER 56 6.820 -7.802 8.100 437 H VAL 57 H VAL 57 9.046 -4.497 7.644 438 HA VAL 57 HA VAL 57 11.259 -4.077 5.759 439 HB VAL 57 HB VAL 57 9.346 -2.092 6.992 440 HG11 VAL 57 1HG1 VAL 57 11.475 -1.023 6.706 441 HG12 VAL 57 2HG1 VAL 57 11.635 -1.677 5.075 442 HG13 VAL 57 3HG1 VAL 57 10.396 -0.471 5.426 443 HG21 VAL 57 1HG2 VAL 57 9.640 -2.963 4.121 444 HG22 VAL 57 2HG2 VAL 57 8.416 -3.580 5.230 445 HG23 VAL 57 3HG2 VAL 57 8.421 -1.874 4.784 446 H GLU 58 H GLU 58 13.233 -3.550 6.454 447 HA GLU 58 HA GLU 58 13.874 -3.612 9.211 448 HB2 GLU 58 1HB GLU 58 15.322 -4.124 7.070 449 HB3 GLU 58 2HB GLU 58 15.740 -2.421 7.202 450 HG2 GLU 58 1HG GLU 58 16.038 -4.350 9.483 451 HG3 GLU 58 2HG GLU 58 17.313 -4.051 8.304 452 H LYS 59 H LYS 59 14.426 -0.949 6.902 453 HA LYS 59 HA LYS 59 13.401 0.970 8.826 454 HB2 LYS 59 1HB LYS 59 16.274 0.941 7.904 455 HB3 LYS 59 2HB LYS 59 15.501 2.371 8.576 456 HG2 LYS 59 1HG LYS 59 15.603 -0.239 10.054 457 HG3 LYS 59 2HG LYS 59 16.890 0.964 10.158 458 HD2 LYS 59 1HD LYS 59 15.443 2.568 11.121 459 HD3 LYS 59 2HD LYS 59 14.007 1.623 10.715 460 HE2 LYS 59 1HE LYS 59 14.846 -0.155 12.261 461 HE3 LYS 59 2HE LYS 59 16.125 0.953 12.753 462 HZ1 LYS 59 1HZ LYS 59 14.264 2.544 13.322 463 HZ2 LYS 59 2HZ LYS 59 14.436 1.200 14.333 464 HZ3 LYS 59 3HZ LYS 59 13.209 1.231 13.169 465 H PHE 60 H PHE 60 12.049 2.164 7.670 466 HA PHE 60 HA PHE 60 12.758 2.799 4.883 467 HB2 PHE 60 1HB PHE 60 10.316 3.168 4.548 468 HB3 PHE 60 2HB PHE 60 10.713 1.516 5.008 469 HD1 PHE 60 2HD PHE 60 10.521 0.947 7.524 470 HD2 PHE 60 1HD PHE 60 8.683 4.324 5.699 471 HE1 PHE 60 2HE PHE 60 8.926 1.085 9.393 472 HE2 PHE 60 1HE PHE 60 7.086 4.468 7.564 473 HZ PHE 60 HZ PHE 60 7.205 2.846 9.414 474 H CYS 61 H CYS 61 11.336 4.890 4.236 475 HA CYS 61 HA CYS 61 12.281 6.983 6.058 476 HB2 CYS 61 1HB CYS 61 12.874 6.849 3.526 477 HB3 CYS 61 2HB CYS 61 11.253 7.489 3.282 478 HG CYS 61 HG CYS 61 11.902 9.708 5.102 479 H LEU 62 H LEU 62 10.831 7.783 7.417 480 HA LEU 62 HA LEU 62 8.041 7.403 7.155 481 HB2 LEU 62 1HB LEU 62 9.756 9.081 8.950 482 HB3 LEU 62 2HB LEU 62 7.998 9.196 9.008 483 HG LEU 62 HG LEU 62 9.659 6.745 9.592 484 HD11 LEU 62 1HD1 LEU 62 9.141 7.056 11.838 485 HD12 LEU 62 2HD1 LEU 62 7.837 8.188 11.483 486 HD13 LEU 62 3HD1 LEU 62 9.516 8.684 11.273 487 HD21 LEU 62 1HD2 LEU 62 6.875 7.051 8.851 488 HD22 LEU 62 2HD2 LEU 62 7.056 6.322 10.447 489 HD23 LEU 62 3HD2 LEU 62 7.838 5.586 9.046 490 H ASP 63 H ASP 63 10.075 10.299 6.786 491 HA ASP 63 HA ASP 63 7.946 11.464 5.119 492 HB2 ASP 63 1HB ASP 63 9.584 12.790 7.274 493 HB3 ASP 63 2HB ASP 63 8.779 13.717 6.011 494 HA PRO 64 HA PRO 64 11.761 11.255 2.588 495 HB2 PRO 64 1HB PRO 64 10.434 10.877 0.250 496 HB3 PRO 64 2HB PRO 64 10.828 9.555 1.356 497 HG2 PRO 64 1HG PRO 64 8.250 11.039 1.019 498 HG3 PRO 64 2HG PRO 64 8.520 9.298 1.222 499 HD2 PRO 64 1HD PRO 64 7.734 10.898 3.260 500 HD3 PRO 64 2HD PRO 64 8.767 9.476 3.507 501 H GLN 65 H GLN 65 12.378 13.388 2.707 502 HA GLN 65 HA GLN 65 10.825 15.572 1.821 503 HB2 GLN 65 1HB GLN 65 13.715 15.180 2.495 504 HB3 GLN 65 2HB GLN 65 13.202 16.678 1.729 505 HG2 GLN 65 1HG GLN 65 11.969 15.610 4.252 506 HG3 GLN 65 2HG GLN 65 13.336 16.722 4.231 507 HE21 GLN 65 1HE2 GLN 65 12.783 18.528 2.400 508 HE22 GLN 65 2HE2 GLN 65 11.305 19.357 2.734 509 H THR 66 H THR 66 13.079 13.442 0.208 510 HA THR 66 HA THR 66 12.498 14.837 -2.322 511 HB THR 66 HB THR 66 14.731 14.231 -3.143 512 HG1 THR 66 1HG THR 66 15.772 12.739 -2.075 513 HG21 THR 66 1HG2 THR 66 15.011 16.351 -2.423 514 HG22 THR 66 2HG2 THR 66 15.966 15.599 -1.146 515 HG23 THR 66 3HG2 THR 66 14.280 16.021 -0.853 516 H GLU 67 H GLU 67 13.070 13.337 -4.245 517 HA GLU 67 HA GLU 67 11.350 11.142 -4.197 518 HB2 GLU 67 1HB GLU 67 11.872 12.152 -6.293 519 HB3 GLU 67 2HB GLU 67 13.594 11.874 -6.073 520 HG2 GLU 67 1HG GLU 67 11.779 9.524 -6.136 521 HG3 GLU 67 2HG GLU 67 12.145 10.353 -7.648 522 H ALA 68 H ALA 68 14.917 11.119 -4.302 523 HA ALA 68 HA ALA 68 15.506 8.499 -4.197 524 HB1 ALA 68 1HB ALA 68 16.787 10.587 -2.438 525 HB2 ALA 68 2HB ALA 68 17.495 9.038 -2.897 526 HB3 ALA 68 3HB ALA 68 17.193 10.267 -4.125 527 H ASP 69 H ASP 69 14.277 10.410 -1.498 528 HA ASP 69 HA ASP 69 14.541 8.376 0.463 529 HB2 ASP 69 1HB ASP 69 12.823 10.857 0.336 530 HB3 ASP 69 2HB ASP 69 12.879 9.794 1.740 531 H CYS 70 H CYS 70 11.900 9.375 -1.664 532 HA CYS 70 HA CYS 70 9.918 7.696 -0.589 533 HB2 CYS 70 1HB CYS 70 10.295 9.055 -3.236 534 HB3 CYS 70 2HB CYS 70 8.970 7.919 -3.015 535 HG CYS 70 HG CYS 70 8.453 10.848 -2.689 536 H ILE 71 H ILE 71 11.788 7.250 -3.597 537 HA ILE 71 HA ILE 71 11.022 4.769 -4.346 538 HB ILE 71 HB ILE 71 13.870 5.776 -4.326 539 HG12 ILE 71 1HG1 ILE 71 12.315 7.260 -5.508 540 HG13 ILE 71 2HG1 ILE 71 13.395 6.454 -6.640 541 HG21 ILE 71 1HG2 ILE 71 14.527 3.955 -5.445 542 HG22 ILE 71 2HG2 ILE 71 13.051 3.213 -4.831 543 HG23 ILE 71 3HG2 ILE 71 13.072 3.931 -6.442 544 HD11 ILE 71 1HD1 ILE 71 10.504 6.369 -6.437 545 HD12 ILE 71 2HD1 ILE 71 11.561 5.960 -7.788 546 HD13 ILE 71 3HD1 ILE 71 11.232 4.766 -6.534 547 H ASN 72 H ASN 72 13.437 5.492 -1.848 548 HA ASN 72 HA ASN 72 14.289 2.934 -1.252 549 HB2 ASN 72 1HB ASN 72 14.047 5.461 0.316 550 HB3 ASN 72 2HB ASN 72 14.395 3.974 1.194 551 HD21 ASN 72 1HD2 ASN 72 15.836 6.560 0.033 552 HD22 ASN 72 2HD2 ASN 72 17.369 5.913 -0.433 553 H ASN 73 H ASN 73 11.428 4.643 -0.052 554 HA ASN 73 HA ASN 73 10.588 2.671 1.772 555 HB2 ASN 73 1HB ASN 73 8.824 4.602 0.253 556 HB3 ASN 73 2HB ASN 73 8.460 3.817 1.787 557 HD21 ASN 73 1HD2 ASN 73 8.113 6.303 2.034 558 HD22 ASN 73 2HD2 ASN 73 9.443 7.143 2.750 559 H ILE 74 H ILE 74 9.313 3.390 -1.484 560 HA ILE 74 HA ILE 74 7.540 1.352 -1.796 561 HB ILE 74 HB ILE 74 9.467 2.346 -3.898 562 HG12 ILE 74 1HG1 ILE 74 6.599 3.178 -3.508 563 HG13 ILE 74 2HG1 ILE 74 7.917 4.000 -2.681 564 HG21 ILE 74 1HG2 ILE 74 7.464 1.637 -5.392 565 HG22 ILE 74 2HG2 ILE 74 8.613 0.418 -4.843 566 HG23 ILE 74 3HG2 ILE 74 7.055 0.588 -4.035 567 HD11 ILE 74 1HD1 ILE 74 7.200 5.133 -4.743 568 HD12 ILE 74 2HD1 ILE 74 8.892 4.639 -4.785 569 HD13 ILE 74 3HD1 ILE 74 7.680 3.709 -5.666 570 H ASN 75 H ASN 75 11.010 1.155 -2.591 571 HA ASN 75 HA ASN 75 11.075 -1.510 -3.372 572 HB2 ASN 75 1HB ASN 75 13.089 0.411 -2.305 573 HB3 ASN 75 2HB ASN 75 13.528 -1.294 -2.357 574 HD21 ASN 75 1HD2 ASN 75 12.440 1.426 -4.293 575 HD22 ASN 75 2HD2 ASN 75 13.072 0.849 -5.793 576 H ASP 76 H ASP 76 11.554 -0.111 -0.143 577 HA ASP 76 HA ASP 76 12.176 -2.407 1.266 578 HB2 ASP 76 1HB ASP 76 10.662 0.072 2.073 579 HB3 ASP 76 2HB ASP 76 11.027 -1.213 3.221 580 H PHE 77 H PHE 77 8.948 -1.049 0.630 581 HA PHE 77 HA PHE 77 7.408 -2.896 1.982 582 HB2 PHE 77 1HB PHE 77 6.173 -1.129 1.142 583 HB3 PHE 77 2HB PHE 77 6.946 -1.204 -0.439 584 HD1 PHE 77 1HD PHE 77 4.835 -3.393 1.729 585 HD2 PHE 77 2HD PHE 77 5.631 -1.899 -2.176 586 HE1 PHE 77 1HE PHE 77 2.912 -4.657 0.857 587 HE2 PHE 77 2HE PHE 77 3.709 -3.159 -3.054 588 HZ PHE 77 HZ PHE 77 2.346 -4.540 -1.537 589 H LEU 78 H LEU 78 8.629 -3.084 -1.345 590 HA LEU 78 HA LEU 78 7.416 -5.478 -2.090 591 HB2 LEU 78 1HB LEU 78 10.123 -4.437 -2.914 592 HB3 LEU 78 2HB LEU 78 9.192 -5.673 -3.759 593 HG LEU 78 HG LEU 78 8.219 -2.847 -3.394 594 HD11 LEU 78 1HD1 LEU 78 9.076 -2.268 -5.498 595 HD12 LEU 78 2HD1 LEU 78 9.484 -3.938 -5.888 596 HD13 LEU 78 3HD1 LEU 78 10.411 -3.066 -4.667 597 HD21 LEU 78 1HD2 LEU 78 7.333 -4.354 -5.708 598 HD22 LEU 78 2HD2 LEU 78 6.391 -3.499 -4.486 599 HD23 LEU 78 3HD2 LEU 78 6.921 -5.155 -4.192 600 H LYS 79 H LYS 79 10.612 -4.945 -0.623 601 HA LYS 79 HA LYS 79 11.748 -7.358 -0.540 602 HB2 LYS 79 1HB LYS 79 11.414 -5.620 1.912 603 HB3 LYS 79 2HB LYS 79 12.660 -6.837 1.670 604 HG2 LYS 79 1HG LYS 79 13.476 -5.518 -0.278 605 HG3 LYS 79 2HG LYS 79 12.317 -4.259 0.157 606 HD2 LYS 79 1HD LYS 79 14.360 -3.596 1.128 607 HD3 LYS 79 2HD LYS 79 13.406 -4.263 2.455 608 HE2 LYS 79 1HE LYS 79 14.605 -6.385 2.246 609 HE3 LYS 79 2HE LYS 79 15.552 -5.723 0.915 610 HZ1 LYS 79 1HZ LYS 79 16.748 -4.383 2.311 611 HZ2 LYS 79 2HZ LYS 79 16.488 -5.711 3.325 612 HZ3 LYS 79 3HZ LYS 79 15.541 -4.320 3.495 613 H GLY 80 H GLY 80 8.874 -6.450 1.268 614 HA2 GLY 80 1HA GLY 80 8.778 -9.041 2.603 615 HA3 GLY 80 2HA GLY 80 7.668 -7.701 2.847 616 H CYS 81 H CYS 81 6.931 -7.229 0.183 617 HA CYS 81 HA CYS 81 4.753 -8.837 -0.169 618 HB2 CYS 81 1HB CYS 81 4.483 -7.874 -2.281 619 HB3 CYS 81 2HB CYS 81 5.455 -6.685 -1.423 620 HG CYS 81 HG CYS 81 7.873 -7.916 -2.581 621 H ALA 82 H ALA 82 8.027 -9.386 -1.347 622 HA ALA 82 HA ALA 82 7.645 -11.467 -3.104 623 HB1 ALA 82 1HB ALA 82 9.846 -10.515 -1.434 624 HB2 ALA 82 2HB ALA 82 9.933 -12.235 -1.820 625 HB3 ALA 82 3HB ALA 82 9.842 -11.043 -3.117 626 H THR 83 H THR 83 7.969 -11.654 0.429 627 HA THR 83 HA THR 83 7.967 -14.369 0.812 628 HB THR 83 HB THR 83 6.459 -12.357 2.495 629 HG1 THR 83 1HG THR 83 8.898 -12.201 2.012 630 HG21 THR 83 1HG2 THR 83 5.778 -14.525 3.171 631 HG22 THR 83 2HG2 THR 83 7.018 -14.026 4.321 632 HG23 THR 83 3HG2 THR 83 7.416 -15.162 3.032 633 H LEU 84 H LEU 84 5.185 -12.274 0.200 634 HA LEU 84 HA LEU 84 3.244 -14.341 0.515 635 HB2 LEU 84 1HB LEU 84 3.025 -11.700 -0.922 636 HB3 LEU 84 2HB LEU 84 1.679 -12.738 -0.456 637 HG LEU 84 HG LEU 84 3.536 -11.620 1.614 638 HD11 LEU 84 1HD1 LEU 84 1.370 -9.968 1.693 639 HD12 LEU 84 2HD1 LEU 84 1.624 -10.151 -0.042 640 HD13 LEU 84 3HD1 LEU 84 2.932 -9.561 0.982 641 HD21 LEU 84 1HD2 LEU 84 2.135 -12.612 3.019 642 HD22 LEU 84 2HD2 LEU 84 1.300 -13.320 1.636 643 HD23 LEU 84 3HD2 LEU 84 0.758 -11.777 2.298 644 H GLN 85 H GLN 85 5.286 -13.297 -2.064 645 HA GLN 85 HA GLN 85 5.597 -14.033 -4.193 646 HB2 GLN 85 1HB GLN 85 4.031 -16.397 -3.149 647 HB3 GLN 85 2HB GLN 85 4.858 -16.363 -4.700 648 HG2 GLN 85 1HG GLN 85 6.987 -15.953 -3.490 649 HG3 GLN 85 2HG GLN 85 6.113 -16.167 -1.974 650 HE21 GLN 85 1HE2 GLN 85 6.711 -18.046 -1.161 651 HE22 GLN 85 2HE2 GLN 85 6.778 -19.545 -2.017 652 H VAL 86 H VAL 86 3.536 -12.221 -3.853 653 HA VAL 86 HA VAL 86 1.453 -13.193 -5.696 654 HB VAL 86 HB VAL 86 0.053 -11.339 -4.881 655 HG11 VAL 86 1HG1 VAL 86 0.005 -13.603 -3.834 656 HG12 VAL 86 2HG1 VAL 86 1.094 -12.993 -2.587 657 HG13 VAL 86 3HG1 VAL 86 -0.519 -12.301 -2.767 658 HG21 VAL 86 1HG2 VAL 86 1.236 -9.603 -4.064 659 HG22 VAL 86 2HG2 VAL 86 1.081 -10.471 -2.537 660 HG23 VAL 86 3HG2 VAL 86 2.552 -10.629 -3.496 661 H GLU 87 H GLU 87 0.468 -11.261 -6.980 662 HA GLU 87 HA GLU 87 2.320 -10.403 -8.850 663 HB2 GLU 87 1HB GLU 87 0.592 -8.911 -9.689 664 HB3 GLU 87 2HB GLU 87 -0.109 -10.461 -9.245 665 HG2 GLU 87 1HG GLU 87 -0.552 -9.231 -6.963 666 HG3 GLU 87 2HG GLU 87 -0.440 -7.795 -7.980 667 H ILE 88 H ILE 88 3.698 -8.739 -9.015 668 HA ILE 88 HA ILE 88 3.571 -6.633 -6.958 669 HB ILE 88 HB ILE 88 6.044 -6.511 -7.047 670 HG12 ILE 88 1HG1 ILE 88 6.117 -9.211 -8.327 671 HG13 ILE 88 2HG1 ILE 88 5.968 -7.793 -9.360 672 HG21 ILE 88 1HG2 ILE 88 5.111 -7.683 -5.214 673 HG22 ILE 88 2HG2 ILE 88 4.772 -9.102 -6.203 674 HG23 ILE 88 3HG2 ILE 88 6.439 -8.676 -5.815 675 HD11 ILE 88 1HD1 ILE 88 8.089 -7.147 -8.997 676 HD12 ILE 88 2HD1 ILE 88 8.079 -7.676 -7.314 677 HD13 ILE 88 3HD1 ILE 88 8.308 -8.852 -8.608 678 H PHE 89 H PHE 89 5.278 -4.822 -7.727 679 HA PHE 89 HA PHE 89 4.986 -4.313 -10.587 680 HB2 PHE 89 1HB PHE 89 4.222 -1.951 -10.045 681 HB3 PHE 89 2HB PHE 89 3.032 -3.223 -9.791 682 HD1 PHE 89 1HD PHE 89 5.509 -1.097 -8.035 683 HD2 PHE 89 2HD PHE 89 2.015 -3.506 -7.711 684 HE1 PHE 89 1HE PHE 89 5.206 -0.340 -5.714 685 HE2 PHE 89 2HE PHE 89 1.706 -2.752 -5.390 686 HZ PHE 89 HZ PHE 89 3.302 -1.166 -4.388 687 H ASP 90 H ASP 90 6.003 -1.926 -10.928 688 HA ASP 90 HA ASP 90 8.701 -2.158 -9.827 689 HB2 ASP 90 1HB ASP 90 7.525 -0.901 -12.269 690 HB3 ASP 90 2HB ASP 90 9.038 -0.258 -11.637 691 HA PRO 91 HA PRO 91 8.442 1.365 -7.227 692 HB2 PRO 91 1HB PRO 91 10.900 2.477 -7.535 693 HB3 PRO 91 2HB PRO 91 10.631 0.971 -6.649 694 HG2 PRO 91 1HG PRO 91 11.583 1.372 -9.459 695 HG3 PRO 91 2HG PRO 91 12.176 0.243 -8.227 696 HD2 PRO 91 1HD PRO 91 10.511 -0.520 -10.222 697 HD3 PRO 91 2HD PRO 91 10.476 -1.266 -8.611 698 H ASP 92 H ASP 92 8.792 1.701 -10.583 699 HA ASP 92 HA ASP 92 8.703 4.616 -10.532 700 HB2 ASP 92 1HB ASP 92 8.761 2.686 -12.863 701 HB3 ASP 92 2HB ASP 92 8.838 4.441 -12.992 702 H ASP 93 H ASP 93 6.726 1.875 -11.609 703 HA ASP 93 HA ASP 93 4.591 3.219 -12.721 704 HB2 ASP 93 1HB ASP 93 4.553 0.688 -11.064 705 HB3 ASP 93 2HB ASP 93 3.218 1.246 -12.069 706 H LEU 94 H LEU 94 5.093 2.378 -9.306 707 HA LEU 94 HA LEU 94 2.671 3.642 -8.448 708 HB2 LEU 94 1HB LEU 94 3.423 1.873 -7.102 709 HB3 LEU 94 2HB LEU 94 5.063 2.515 -7.031 710 HG LEU 94 HG LEU 94 4.264 4.343 -5.589 711 HD11 LEU 94 1HD1 LEU 94 1.812 3.870 -6.583 712 HD12 LEU 94 2HD1 LEU 94 2.105 4.713 -5.063 713 HD13 LEU 94 3HD1 LEU 94 1.698 2.997 -5.055 714 HD21 LEU 94 1HD2 LEU 94 4.793 1.763 -4.897 715 HD22 LEU 94 2HD2 LEU 94 3.222 2.020 -4.137 716 HD23 LEU 94 3HD2 LEU 94 4.573 3.089 -3.756 717 H TYR 95 H TYR 95 6.103 4.415 -7.837 718 HA TYR 95 HA TYR 95 5.808 6.849 -6.618 719 HB2 TYR 95 1HB TYR 95 7.988 5.918 -6.760 720 HB3 TYR 95 2HB TYR 95 7.935 5.871 -8.518 721 HD1 TYR 95 2HD TYR 95 7.698 8.369 -5.745 722 HD2 TYR 95 1HD TYR 95 9.103 7.495 -9.665 723 HE1 TYR 95 2HE TYR 95 8.806 10.563 -5.831 724 HE2 TYR 95 1HE TYR 95 10.216 9.686 -9.761 725 HH TYR 95 HH TYR 95 9.546 12.167 -8.017 726 H SER 96 H SER 96 6.430 6.448 -10.110 727 HA SER 96 HA SER 96 5.811 9.148 -10.726 728 HB2 SER 96 1HB SER 96 6.034 6.690 -12.474 729 HB3 SER 96 2HB SER 96 5.797 8.320 -13.105 730 HG SER 96 HG SER 96 7.806 8.820 -12.613 731 H GLY 97 H GLY 97 3.998 6.113 -11.104 732 HA2 GLY 97 1HA GLY 97 1.652 5.968 -10.732 733 HA3 GLY 97 2HA GLY 97 1.520 7.686 -11.077 734 H VAL 98 H VAL 98 3.050 5.059 -12.919 735 HA VAL 98 HA VAL 98 1.693 5.976 -15.318 736 HB VAL 98 HB VAL 98 3.715 3.762 -14.944 737 HG11 VAL 98 1HG1 VAL 98 3.845 4.430 -17.559 738 HG12 VAL 98 2HG1 VAL 98 2.880 3.094 -16.928 739 HG13 VAL 98 3HG1 VAL 98 2.123 4.654 -17.252 740 HG21 VAL 98 1HG2 VAL 98 5.229 5.385 -14.869 741 HG22 VAL 98 2HG2 VAL 98 4.746 5.867 -16.496 742 HG23 VAL 98 3HG2 VAL 98 3.982 6.612 -15.092 743 H ASN 99 H ASN 99 2.060 2.878 -13.588 744 HA ASN 99 HA ASN 99 -0.561 2.079 -14.673 745 HB2 ASN 99 1HB ASN 99 1.657 0.868 -15.459 746 HB3 ASN 99 2HB ASN 99 1.467 0.013 -13.931 747 HD21 ASN 99 1HD2 ASN 99 1.381 -1.362 -16.265 748 HD22 ASN 99 2HD2 ASN 99 -0.226 -1.917 -16.570 749 H PHE 100 H PHE 100 -1.855 2.495 -12.958 750 HA PHE 100 HA PHE 100 -1.048 1.771 -10.273 751 HB2 PHE 100 1HB PHE 100 -2.366 3.849 -10.806 752 HB3 PHE 100 2HB PHE 100 -3.732 2.809 -11.196 753 HD1 PHE 100 2HD PHE 100 -1.243 3.037 -8.419 754 HD2 PHE 100 1HD PHE 100 -5.331 2.748 -9.567 755 HE1 PHE 100 2HE PHE 100 -1.904 3.025 -6.049 756 HE2 PHE 100 1HE PHE 100 -5.999 2.737 -7.199 757 HZ PHE 100 HZ PHE 100 -4.284 2.874 -5.436 758 H SER 101 H SER 101 -3.431 0.727 -12.671 759 HA SER 101 HA SER 101 -5.026 -1.005 -11.417 760 HB2 SER 101 1HB SER 101 -5.030 -2.423 -13.411 761 HB3 SER 101 2HB SER 101 -4.966 -0.722 -13.873 762 HG SER 101 HG SER 101 -3.401 -1.605 -15.073 763 H LYS 102 H LYS 102 -1.622 -1.622 -12.138 764 HA LYS 102 HA LYS 102 -1.591 -4.283 -11.148 765 HB2 LYS 102 1HB LYS 102 0.510 -2.254 -11.819 766 HB3 LYS 102 2HB LYS 102 0.962 -3.727 -10.970 767 HG2 LYS 102 1HG LYS 102 -0.330 -4.911 -12.892 768 HG3 LYS 102 2HG LYS 102 -0.083 -3.384 -13.743 769 HD2 LYS 102 1HD LYS 102 2.166 -4.894 -12.433 770 HD3 LYS 102 2HD LYS 102 1.673 -5.181 -14.103 771 HE2 LYS 102 1HE LYS 102 2.375 -3.097 -14.806 772 HE3 LYS 102 2HE LYS 102 2.249 -2.396 -13.193 773 HZ1 LYS 102 1HZ LYS 102 4.290 -3.144 -12.606 774 HZ2 LYS 102 2HZ LYS 102 4.559 -3.020 -14.271 775 HZ3 LYS 102 3HZ LYS 102 4.210 -4.525 -13.581 776 H VAL 103 H VAL 103 -0.372 -1.238 -9.745 777 HA VAL 103 HA VAL 103 0.446 -2.187 -7.289 778 HB VAL 103 HB VAL 103 -0.869 0.475 -7.851 779 HG11 VAL 103 1HG1 VAL 103 -0.377 1.153 -5.768 780 HG12 VAL 103 2HG1 VAL 103 -0.353 -0.572 -5.395 781 HG13 VAL 103 3HG1 VAL 103 1.154 0.278 -5.738 782 HG21 VAL 103 1HG2 VAL 103 1.541 -0.590 -8.809 783 HG22 VAL 103 2HG2 VAL 103 0.997 1.085 -8.894 784 HG23 VAL 103 3HG2 VAL 103 1.984 0.547 -7.536 785 H LEU 104 H LEU 104 -2.800 -1.158 -8.272 786 HA LEU 104 HA LEU 104 -4.045 -1.374 -5.774 787 HB2 LEU 104 1HB LEU 104 -4.965 -0.330 -7.875 788 HB3 LEU 104 2HB LEU 104 -5.336 -1.961 -8.428 789 HG LEU 104 HG LEU 104 -6.833 -2.241 -6.478 790 HD11 LEU 104 1HD1 LEU 104 -6.658 -0.864 -4.752 791 HD12 LEU 104 2HD1 LEU 104 -7.286 0.439 -5.760 792 HD13 LEU 104 3HD1 LEU 104 -5.546 0.174 -5.645 793 HD21 LEU 104 1HD2 LEU 104 -7.308 -0.001 -8.421 794 HD22 LEU 104 2HD2 LEU 104 -8.541 -0.517 -7.270 795 HD23 LEU 104 3HD2 LEU 104 -7.922 -1.653 -8.469 796 H SER 105 H SER 105 -3.909 -3.742 -8.434 797 HA SER 105 HA SER 105 -5.264 -5.805 -7.126 798 HB2 SER 105 1HB SER 105 -4.026 -7.307 -8.754 799 HB3 SER 105 2HB SER 105 -4.929 -5.979 -9.484 800 HG SER 105 HG SER 105 -3.125 -5.148 -10.178 801 H THR 106 H THR 106 -1.776 -5.160 -7.349 802 HA THR 106 HA THR 106 -0.716 -7.308 -6.058 803 HB THR 106 HB THR 106 0.111 -4.424 -5.673 804 HG1 THR 106 1HG THR 106 1.078 -6.427 -7.460 805 HG21 THR 106 1HG2 THR 106 1.383 -5.362 -4.044 806 HG22 THR 106 2HG2 THR 106 2.389 -5.830 -5.415 807 HG23 THR 106 3HG2 THR 106 1.249 -6.983 -4.724 808 H LEU 107 H LEU 107 -2.020 -4.394 -4.483 809 HA LEU 107 HA LEU 107 -1.586 -5.312 -1.839 810 HB2 LEU 107 1HB LEU 107 -3.390 -3.205 -2.998 811 HB3 LEU 107 2HB LEU 107 -3.295 -3.528 -1.268 812 HG LEU 107 HG LEU 107 -0.918 -2.719 -2.933 813 HD11 LEU 107 1HD1 LEU 107 -1.839 -0.696 -3.058 814 HD12 LEU 107 2HD1 LEU 107 -1.580 -0.586 -1.317 815 HD13 LEU 107 3HD1 LEU 107 -3.137 -1.127 -1.945 816 HD21 LEU 107 1HD2 LEU 107 -0.089 -3.671 -1.000 817 HD22 LEU 107 2HD2 LEU 107 -1.453 -3.129 -0.021 818 HD23 LEU 107 3HD2 LEU 107 -0.226 -1.974 -0.541 819 H LEU 108 H LEU 108 -4.402 -5.389 -3.986 820 HA LEU 108 HA LEU 108 -6.348 -6.310 -2.288 821 HB2 LEU 108 1HB LEU 108 -5.782 -6.713 -5.178 822 HB3 LEU 108 2HB LEU 108 -7.037 -7.700 -4.432 823 HG LEU 108 HG LEU 108 -7.007 -4.683 -4.432 824 HD11 LEU 108 1HD1 LEU 108 -7.266 -5.847 -6.688 825 HD12 LEU 108 2HD1 LEU 108 -8.523 -4.705 -6.213 826 HD13 LEU 108 3HD1 LEU 108 -8.808 -6.439 -6.068 827 HD21 LEU 108 1HD2 LEU 108 -9.521 -6.109 -4.034 828 HD22 LEU 108 2HD2 LEU 108 -8.832 -4.751 -3.143 829 HD23 LEU 108 3HD2 LEU 108 -8.338 -6.401 -2.759 830 H ALA 109 H ALA 109 -3.895 -8.229 -3.986 831 HA ALA 109 HA ALA 109 -4.771 -10.754 -3.097 832 HB1 ALA 109 1HB ALA 109 -3.039 -11.559 -4.276 833 HB2 ALA 109 2HB ALA 109 -2.882 -9.897 -4.848 834 HB3 ALA 109 3HB ALA 109 -1.881 -10.468 -3.513 835 H VAL 110 H VAL 110 -2.188 -8.633 -1.859 836 HA VAL 110 HA VAL 110 -1.240 -10.146 0.215 837 HB VAL 110 HB VAL 110 -1.726 -7.164 0.291 838 HG11 VAL 110 1HG1 VAL 110 0.605 -8.094 1.701 839 HG12 VAL 110 2HG1 VAL 110 -0.743 -7.115 2.285 840 HG13 VAL 110 3HG1 VAL 110 -0.850 -8.876 2.319 841 HG21 VAL 110 1HG2 VAL 110 0.854 -7.334 -0.268 842 HG22 VAL 110 2HG2 VAL 110 0.351 -8.865 -0.986 843 HG23 VAL 110 3HG2 VAL 110 -0.370 -7.353 -1.538 844 H ASN 111 H ASN 111 -3.977 -7.869 0.379 845 HA ASN 111 HA ASN 111 -4.676 -8.202 3.025 846 HB2 ASN 111 1HB ASN 111 -5.916 -6.543 2.031 847 HB3 ASN 111 2HB ASN 111 -6.176 -7.471 0.557 848 HD21 ASN 111 1HD2 ASN 111 -6.991 -7.553 4.007 849 HD22 ASN 111 2HD2 ASN 111 -8.616 -8.096 3.785 850 H LYS 112 H LYS 112 -5.708 -10.136 0.234 851 HA LYS 112 HA LYS 112 -7.408 -11.872 1.670 852 HB2 LYS 112 1HB LYS 112 -7.134 -11.476 -0.903 853 HB3 LYS 112 2HB LYS 112 -5.934 -12.757 -0.786 854 HG2 LYS 112 1HG LYS 112 -7.833 -13.926 -1.342 855 HG3 LYS 112 2HG LYS 112 -7.825 -14.066 0.417 856 HD2 LYS 112 1HD LYS 112 -10.030 -13.491 -0.079 857 HD3 LYS 112 2HD LYS 112 -9.295 -11.954 0.382 858 HE2 LYS 112 1HE LYS 112 -8.886 -11.544 -2.069 859 HE3 LYS 112 2HE LYS 112 -9.883 -12.961 -2.396 860 HZ1 LYS 112 1HZ LYS 112 -11.342 -11.402 -0.654 861 HZ2 LYS 112 2HZ LYS 112 -11.626 -11.617 -2.307 862 HZ3 LYS 112 3HZ LYS 112 -10.689 -10.314 -1.773 863 H ALA 113 H ALA 113 -4.014 -12.181 0.667 864 HA ALA 113 HA ALA 113 -3.544 -14.755 1.625 865 HB1 ALA 113 1HB ALA 113 -2.017 -13.414 0.172 866 HB2 ALA 113 2HB ALA 113 -1.536 -12.510 1.608 867 HB3 ALA 113 3HB ALA 113 -1.215 -14.241 1.508 868 H THR 114 H THR 114 -3.438 -11.644 3.284 869 HA THR 114 HA THR 114 -2.354 -12.643 5.716 870 HB THR 114 HB THR 114 -3.163 -10.494 6.700 871 HG1 THR 114 1HG THR 114 -3.907 -9.004 4.876 872 HG21 THR 114 1HG2 THR 114 -1.199 -9.727 5.984 873 HG22 THR 114 2HG2 THR 114 -1.933 -9.304 4.437 874 HG23 THR 114 3HG2 THR 114 -1.212 -10.897 4.664 875 H GLU 115 H GLU 115 -5.643 -12.047 4.560 876 HA GLU 115 HA GLU 115 -6.770 -12.986 7.074 877 HB2 GLU 115 1HB GLU 115 -8.876 -12.262 6.254 878 HB3 GLU 115 2HB GLU 115 -7.716 -11.028 5.786 879 HG2 GLU 115 1HG GLU 115 -7.889 -11.499 3.569 880 HG3 GLU 115 2HG GLU 115 -8.284 -13.195 3.845 881 H SER 116 H SER 116 -8.511 -14.632 7.018 882 HA SER 116 HA SER 116 -7.588 -16.960 5.591 883 HB2 SER 116 1HB SER 116 -9.989 -16.670 7.412 884 HB3 SER 116 2HB SER 116 -9.238 -18.180 6.898 885 HG SER 116 HG SER 116 -8.380 -16.305 8.772 886 H GLY 117 H GLY 117 -8.126 -17.212 3.521 887 HA2 GLY 117 1HA GLY 117 -10.947 -17.134 2.793 888 HA3 GLY 117 2HA GLY 117 -9.895 -16.021 1.932 889 HA PRO 118 HA PRO 118 -8.693 -20.595 0.766 890 HB2 PRO 118 1HB PRO 118 -10.718 -22.376 1.073 891 HB3 PRO 118 2HB PRO 118 -9.515 -22.065 2.329 892 HG2 PRO 118 1HG PRO 118 -12.298 -20.994 2.065 893 HG3 PRO 118 2HG PRO 118 -11.463 -21.596 3.509 894 HD2 PRO 118 1HD PRO 118 -11.731 -18.955 2.976 895 HD3 PRO 118 2HD PRO 118 -10.322 -19.619 3.827 896 H SER 119 H SER 119 -11.265 -18.622 0.051 897 HA SER 119 HA SER 119 -12.454 -20.023 -2.121 898 HB2 SER 119 1HB SER 119 -12.532 -17.225 -1.084 899 HB3 SER 119 2HB SER 119 -13.088 -17.514 -2.733 900 HG SER 119 HG SER 119 -14.034 -19.272 -0.815 901 H SER 120 H SER 120 -11.792 -20.257 -4.156 902 HA SER 120 HA SER 120 -9.664 -18.487 -5.159 903 HB2 SER 120 1HB SER 120 -8.566 -20.379 -6.224 904 HB3 SER 120 2HB SER 120 -8.727 -20.694 -4.497 905 HG SER 120 HG SER 120 -10.707 -21.585 -6.283 906 H GLY 121 H GLY 121 -9.914 -17.746 -7.200 907 HA2 GLY 121 1HA GLY 121 -10.689 -18.024 -9.472 908 HA3 GLY 121 2HA GLY 121 -12.049 -18.944 -8.843 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -18.735 0.983 -6.971 2 HA2 GLY 1 1HA GLY 1 -21.379 0.789 -6.912 3 HA3 GLY 1 2HA GLY 1 -20.401 -0.629 -7.263 4 H SER 2 H SER 2 -20.191 -2.240 -5.741 5 HA SER 2 HA SER 2 -21.346 -1.883 -3.101 6 HB2 SER 2 1HB SER 2 -23.251 -2.512 -4.622 7 HB3 SER 2 2HB SER 2 -22.424 -4.039 -4.929 8 HG SER 2 HG SER 2 -22.803 -4.677 -2.900 9 H SER 3 H SER 3 -20.768 -3.524 -1.622 10 HA SER 3 HA SER 3 -19.121 -4.813 -0.676 11 HB2 SER 3 1HB SER 3 -19.108 -7.077 -1.498 12 HB3 SER 3 2HB SER 3 -20.743 -6.445 -1.686 13 HG SER 3 HG SER 3 -20.405 -7.233 -3.642 14 H GLY 4 H GLY 4 -17.981 -2.773 -2.182 15 HA2 GLY 4 1HA GLY 4 -16.045 -2.147 -3.258 16 HA3 GLY 4 2HA GLY 4 -15.342 -3.503 -2.389 17 H SER 5 H SER 5 -16.751 -2.444 -5.410 18 HA SER 5 HA SER 5 -16.231 -4.993 -6.699 19 HB2 SER 5 1HB SER 5 -17.569 -2.440 -7.492 20 HB3 SER 5 2HB SER 5 -16.968 -3.506 -8.762 21 HG SER 5 HG SER 5 -18.182 -5.155 -7.307 22 H SER 6 H SER 6 -15.152 -1.620 -7.078 23 HA SER 6 HA SER 6 -13.147 -2.222 -8.989 24 HB2 SER 6 1HB SER 6 -13.690 0.159 -7.227 25 HB3 SER 6 2HB SER 6 -12.262 0.091 -8.260 26 HG SER 6 HG SER 6 -14.986 0.094 -9.006 27 H GLY 7 H GLY 7 -13.007 -1.588 -5.489 28 HA2 GLY 7 1HA GLY 7 -11.538 -3.041 -4.164 29 HA3 GLY 7 2HA GLY 7 -10.372 -2.926 -5.473 30 H GLU 8 H GLU 8 -10.673 -0.109 -5.919 31 HA GLU 8 HA GLU 8 -8.688 0.974 -4.429 32 HB2 GLU 8 1HB GLU 8 -11.059 2.176 -5.785 33 HB3 GLU 8 2HB GLU 8 -10.067 3.211 -4.768 34 HG2 GLU 8 1HG GLU 8 -8.215 3.006 -6.134 35 HG3 GLU 8 2HG GLU 8 -8.796 1.511 -6.867 36 H GLU 9 H GLU 9 -12.153 1.324 -3.663 37 HA GLU 9 HA GLU 9 -11.840 2.687 -1.250 38 HB2 GLU 9 1HB GLU 9 -14.006 0.947 -2.375 39 HB3 GLU 9 2HB GLU 9 -14.122 1.529 -0.721 40 HG2 GLU 9 1HG GLU 9 -14.210 3.774 -1.401 41 HG3 GLU 9 2HG GLU 9 -13.666 3.384 -3.032 42 H GLN 10 H GLN 10 -12.268 -0.805 -1.803 43 HA GLN 10 HA GLN 10 -12.253 -1.760 0.745 44 HB2 GLN 10 1HB GLN 10 -11.158 -2.824 -1.819 45 HB3 GLN 10 2HB GLN 10 -10.789 -3.686 -0.331 46 HG2 GLN 10 1HG GLN 10 -13.385 -3.493 0.034 47 HG3 GLN 10 2HG GLN 10 -13.388 -3.323 -1.720 48 HE21 GLN 10 1HE2 GLN 10 -14.571 -5.317 -1.737 49 HE22 GLN 10 2HE2 GLN 10 -13.730 -6.820 -1.607 50 H ILE 11 H ILE 11 -9.395 -0.896 -1.174 51 HA ILE 11 HA ILE 11 -7.491 -1.610 0.787 52 HB ILE 11 HB ILE 11 -7.197 0.458 -1.394 53 HG12 ILE 11 1HG1 ILE 11 -7.928 -1.754 -2.244 54 HG13 ILE 11 2HG1 ILE 11 -6.302 -1.334 -2.771 55 HG21 ILE 11 1HG2 ILE 11 -4.767 -0.295 -1.204 56 HG22 ILE 11 2HG2 ILE 11 -5.397 0.734 0.080 57 HG23 ILE 11 3HG2 ILE 11 -5.233 -1.002 0.342 58 HD11 ILE 11 1HD1 ILE 11 -5.375 -2.782 -1.036 59 HD12 ILE 11 2HD1 ILE 11 -7.009 -3.212 -0.529 60 HD13 ILE 11 3HD1 ILE 11 -6.435 -3.665 -2.134 61 H VAL 12 H VAL 12 -8.718 1.601 -0.171 62 HA VAL 12 HA VAL 12 -7.433 3.225 1.581 63 HB VAL 12 HB VAL 12 -10.350 3.357 0.812 64 HG11 VAL 12 1HG1 VAL 12 -8.594 5.377 2.191 65 HG12 VAL 12 2HG1 VAL 12 -10.108 5.794 1.386 66 HG13 VAL 12 3HG1 VAL 12 -10.115 4.693 2.764 67 HG21 VAL 12 1HG2 VAL 12 -9.553 5.045 -0.803 68 HG22 VAL 12 2HG2 VAL 12 -7.894 4.705 -0.309 69 HG23 VAL 12 3HG2 VAL 12 -8.856 3.450 -1.090 70 H THR 13 H THR 13 -10.570 1.684 2.307 71 HA THR 13 HA THR 13 -10.580 2.421 5.032 72 HB THR 13 HB THR 13 -12.028 0.077 3.787 73 HG1 THR 13 1HG THR 13 -12.275 2.423 2.944 74 HG21 THR 13 1HG2 THR 13 -11.901 0.349 6.338 75 HG22 THR 13 2HG2 THR 13 -13.498 0.166 5.613 76 HG23 THR 13 3HG2 THR 13 -12.931 1.761 6.106 77 H TRP 14 H TRP 14 -9.523 -0.510 3.358 78 HA TRP 14 HA TRP 14 -9.060 -2.163 5.531 79 HB2 TRP 14 1HB TRP 14 -8.884 -3.000 3.271 80 HB3 TRP 14 2HB TRP 14 -7.525 -1.931 2.936 81 HD1 TRP 14 HD TRP 14 -7.919 -4.227 6.026 82 HE1 TRP 14 1HE TRP 14 -5.924 -5.853 6.069 83 HE3 TRP 14 3HE TRP 14 -5.703 -2.910 1.611 84 HZ2 TRP 14 2HZ TRP 14 -3.705 -6.492 4.446 85 HZ3 TRP 14 3HZ TRP 14 -3.647 -4.077 0.929 86 HH2 TRP 14 HH TRP 14 -2.670 -5.830 2.319 87 H LEU 15 H LEU 15 -6.609 -0.144 3.896 88 HA LEU 15 HA LEU 15 -4.502 -0.516 5.599 89 HB2 LEU 15 1HB LEU 15 -5.281 2.110 4.340 90 HB3 LEU 15 2HB LEU 15 -3.672 1.655 4.897 91 HG LEU 15 HG LEU 15 -5.131 0.283 2.643 92 HD11 LEU 15 1HD1 LEU 15 -3.351 2.667 2.700 93 HD12 LEU 15 2HD1 LEU 15 -4.753 2.326 1.687 94 HD13 LEU 15 3HD1 LEU 15 -3.213 1.533 1.356 95 HD21 LEU 15 1HD2 LEU 15 -2.201 0.225 3.320 96 HD22 LEU 15 2HD2 LEU 15 -3.083 -0.805 2.192 97 HD23 LEU 15 3HD2 LEU 15 -3.349 -0.969 3.928 98 H ILE 16 H ILE 16 -6.819 2.188 5.852 99 HA ILE 16 HA ILE 16 -5.964 3.287 8.216 100 HB ILE 16 HB ILE 16 -8.837 2.990 7.330 101 HG12 ILE 16 1HG1 ILE 16 -6.950 5.312 6.903 102 HG13 ILE 16 2HG1 ILE 16 -7.244 4.066 5.696 103 HG21 ILE 16 1HG2 ILE 16 -9.423 4.680 8.826 104 HG22 ILE 16 2HG2 ILE 16 -8.330 3.656 9.756 105 HG23 ILE 16 3HG2 ILE 16 -7.747 5.173 9.072 106 HD11 ILE 16 1HD1 ILE 16 -8.711 5.660 5.004 107 HD12 ILE 16 2HD1 ILE 16 -9.752 4.750 6.101 108 HD13 ILE 16 3HD1 ILE 16 -9.008 6.256 6.637 109 H SER 17 H SER 17 -8.488 0.787 7.884 110 HA SER 17 HA SER 17 -9.108 0.351 10.506 111 HB2 SER 17 1HB SER 17 -9.030 -1.404 8.101 112 HB3 SER 17 2HB SER 17 -9.231 -2.184 9.669 113 HG SER 17 HG SER 17 -11.128 -1.190 8.291 114 H LEU 18 H LEU 18 -6.311 -0.893 8.743 115 HA LEU 18 HA LEU 18 -5.340 -2.551 10.822 116 HB2 LEU 18 1HB LEU 18 -4.142 -1.353 8.357 117 HB3 LEU 18 2HB LEU 18 -3.121 -2.194 9.521 118 HG LEU 18 HG LEU 18 -5.501 -3.452 8.164 119 HD11 LEU 18 1HD1 LEU 18 -2.631 -3.265 7.349 120 HD12 LEU 18 2HD1 LEU 18 -4.088 -3.096 6.370 121 HD13 LEU 18 3HD1 LEU 18 -3.585 -4.689 6.935 122 HD21 LEU 18 1HD2 LEU 18 -4.829 -4.458 10.297 123 HD22 LEU 18 2HD2 LEU 18 -3.185 -4.645 9.686 124 HD23 LEU 18 3HD2 LEU 18 -4.512 -5.534 8.936 125 H GLY 19 H GLY 19 -4.641 0.793 9.879 126 HA2 GLY 19 1HA GLY 19 -4.283 2.354 11.760 127 HA3 GLY 19 2HA GLY 19 -3.256 1.118 12.470 128 H VAL 20 H VAL 20 -3.285 1.993 9.065 129 HA VAL 20 HA VAL 20 -0.561 3.072 9.397 130 HB VAL 20 HB VAL 20 -0.065 2.289 7.123 131 HG11 VAL 20 1HG1 VAL 20 -0.581 0.603 9.412 132 HG12 VAL 20 2HG1 VAL 20 -0.735 -0.296 7.902 133 HG13 VAL 20 3HG1 VAL 20 0.759 0.567 8.267 134 HG21 VAL 20 1HG2 VAL 20 -2.901 1.326 7.252 135 HG22 VAL 20 2HG2 VAL 20 -2.100 2.257 5.987 136 HG23 VAL 20 3HG2 VAL 20 -1.722 0.548 6.196 137 H LEU 21 H LEU 21 -3.519 3.251 7.443 138 HA LEU 21 HA LEU 21 -2.687 5.828 6.363 139 HB2 LEU 21 1HB LEU 21 -3.655 4.198 4.837 140 HB3 LEU 21 2HB LEU 21 -5.121 4.135 5.814 141 HG LEU 21 HG LEU 21 -5.567 6.496 5.236 142 HD11 LEU 21 1HD1 LEU 21 -4.046 7.797 4.281 143 HD12 LEU 21 2HD1 LEU 21 -3.833 6.658 2.953 144 HD13 LEU 21 3HD1 LEU 21 -2.888 6.476 4.430 145 HD21 LEU 21 1HD2 LEU 21 -6.714 4.911 3.930 146 HD22 LEU 21 2HD2 LEU 21 -5.260 4.477 3.031 147 HD23 LEU 21 3HD2 LEU 21 -6.018 6.050 2.777 148 H GLU 22 H GLU 22 -3.740 7.752 6.741 149 HA GLU 22 HA GLU 22 -4.939 8.096 9.270 150 HB2 GLU 22 1HB GLU 22 -5.426 10.417 8.447 151 HB3 GLU 22 2HB GLU 22 -3.743 9.927 8.310 152 HG2 GLU 22 1HG GLU 22 -5.555 9.548 5.979 153 HG3 GLU 22 2HG GLU 22 -4.948 11.161 6.349 154 H SER 23 H SER 23 -7.085 9.085 9.650 155 HA SER 23 HA SER 23 -9.107 7.946 7.831 156 HB2 SER 23 1HB SER 23 -10.554 7.649 9.812 157 HB3 SER 23 2HB SER 23 -9.048 6.743 9.963 158 HG SER 23 HG SER 23 -9.590 7.904 11.876 159 HA PRO 24 HA PRO 24 -9.743 12.510 7.840 160 HB2 PRO 24 1HB PRO 24 -10.444 12.630 5.220 161 HB3 PRO 24 2HB PRO 24 -8.764 12.667 5.767 162 HG2 PRO 24 1HG PRO 24 -10.357 10.369 4.696 163 HG3 PRO 24 2HG PRO 24 -8.684 10.835 4.337 164 HD2 PRO 24 1HD PRO 24 -9.303 8.843 6.063 165 HD3 PRO 24 2HD PRO 24 -7.868 9.869 6.265 166 H LYS 25 H LYS 25 -11.636 13.310 8.482 167 HA LYS 25 HA LYS 25 -13.978 11.927 8.770 168 HB2 LYS 25 1HB LYS 25 -13.312 14.249 9.667 169 HB3 LYS 25 2HB LYS 25 -13.990 14.876 8.170 170 HG2 LYS 25 1HG LYS 25 -16.111 13.614 8.792 171 HG3 LYS 25 2HG LYS 25 -15.393 13.436 10.395 172 HD2 LYS 25 1HD LYS 25 -15.614 16.121 9.073 173 HD3 LYS 25 2HD LYS 25 -16.963 15.431 9.979 174 HE2 LYS 25 1HE LYS 25 -15.937 16.604 11.647 175 HE3 LYS 25 2HE LYS 25 -15.091 15.066 11.804 176 HZ1 LYS 25 1HZ LYS 25 -13.415 16.108 10.198 177 HZ2 LYS 25 2HZ LYS 25 -13.401 16.630 11.806 178 HZ3 LYS 25 3HZ LYS 25 -14.125 17.586 10.613 179 H LYS 26 H LYS 26 -13.510 14.415 6.254 180 HA LYS 26 HA LYS 26 -15.753 14.030 4.769 181 HB2 LYS 26 1HB LYS 26 -14.624 14.999 2.919 182 HB3 LYS 26 2HB LYS 26 -13.895 15.699 4.359 183 HG2 LYS 26 1HG LYS 26 -12.636 13.281 3.177 184 HG3 LYS 26 2HG LYS 26 -12.432 14.829 2.354 185 HD2 LYS 26 1HD LYS 26 -11.849 14.415 5.281 186 HD3 LYS 26 2HD LYS 26 -10.633 14.240 4.014 187 HE2 LYS 26 1HE LYS 26 -11.364 16.609 3.301 188 HE3 LYS 26 2HE LYS 26 -12.096 16.702 4.902 189 HZ1 LYS 26 1HZ LYS 26 -10.096 16.799 5.912 190 HZ2 LYS 26 2HZ LYS 26 -9.599 17.419 4.419 191 HZ3 LYS 26 3HZ LYS 26 -9.334 15.790 4.787 192 H THR 27 H THR 27 -15.902 13.008 2.536 193 HA THR 27 HA THR 27 -14.904 10.242 2.709 194 HB THR 27 HB THR 27 -17.189 10.945 0.924 195 HG1 THR 27 1HG THR 27 -17.201 11.054 3.727 196 HG21 THR 27 1HG2 THR 27 -17.933 8.704 1.558 197 HG22 THR 27 2HG2 THR 27 -16.592 8.573 2.697 198 HG23 THR 27 3HG2 THR 27 -16.273 8.670 0.965 199 H ILE 28 H ILE 28 -13.395 9.692 1.292 200 HA ILE 28 HA ILE 28 -12.675 11.390 -0.890 201 HB ILE 28 HB ILE 28 -11.727 8.583 -0.304 202 HG12 ILE 28 1HG1 ILE 28 -10.137 11.025 0.349 203 HG13 ILE 28 2HG1 ILE 28 -11.446 10.567 1.434 204 HG21 ILE 28 1HG2 ILE 28 -11.074 10.563 -2.359 205 HG22 ILE 28 2HG2 ILE 28 -9.674 9.893 -1.523 206 HG23 ILE 28 3HG2 ILE 28 -10.812 8.820 -2.337 207 HD11 ILE 28 1HD1 ILE 28 -9.255 8.683 0.617 208 HD12 ILE 28 2HD1 ILE 28 -9.175 9.712 2.047 209 HD13 ILE 28 3HD1 ILE 28 -10.433 8.485 1.914 210 H CYS 29 H CYS 29 -14.160 11.527 -2.489 211 HA CYS 29 HA CYS 29 -15.725 9.357 -3.418 212 HB2 CYS 29 1HB CYS 29 -15.084 12.053 -4.618 213 HB3 CYS 29 2HB CYS 29 -16.188 10.907 -5.370 214 HG CYS 29 HG CYS 29 -17.183 11.187 -2.308 215 H ASP 30 H ASP 30 -12.761 10.879 -4.619 216 HA ASP 30 HA ASP 30 -12.498 8.703 -6.582 217 HB2 ASP 30 1HB ASP 30 -10.812 11.189 -6.591 218 HB3 ASP 30 2HB ASP 30 -11.214 10.120 -7.931 219 HA PRO 31 HA PRO 31 -9.432 7.619 -3.321 220 HB2 PRO 31 1HB PRO 31 -9.771 4.939 -3.595 221 HB3 PRO 31 2HB PRO 31 -10.806 5.938 -2.568 222 HG2 PRO 31 1HG PRO 31 -11.302 4.923 -5.340 223 HG3 PRO 31 2HG PRO 31 -12.410 4.988 -3.957 224 HD2 PRO 31 1HD PRO 31 -12.466 6.814 -5.955 225 HD3 PRO 31 2HD PRO 31 -12.881 7.221 -4.278 226 H GLU 32 H GLU 32 -9.828 6.910 -6.668 227 HA GLU 32 HA GLU 32 -7.587 5.319 -7.173 228 HB2 GLU 32 1HB GLU 32 -9.218 5.607 -8.894 229 HB3 GLU 32 2HB GLU 32 -9.013 7.353 -8.883 230 HG2 GLU 32 1HG GLU 32 -6.575 6.826 -9.568 231 HG3 GLU 32 2HG GLU 32 -7.225 5.250 -10.018 232 H GLU 33 H GLU 33 -7.897 8.862 -7.448 233 HA GLU 33 HA GLU 33 -5.102 9.245 -7.874 234 HB2 GLU 33 1HB GLU 33 -7.441 11.048 -7.388 235 HB3 GLU 33 2HB GLU 33 -5.812 11.697 -7.264 236 HG2 GLU 33 1HG GLU 33 -5.475 10.623 -9.597 237 HG3 GLU 33 2HG GLU 33 -7.237 10.616 -9.653 238 H PHE 34 H PHE 34 -7.260 9.622 -5.092 239 HA PHE 34 HA PHE 34 -5.488 10.753 -3.285 240 HB2 PHE 34 1HB PHE 34 -7.849 10.523 -2.775 241 HB3 PHE 34 2HB PHE 34 -7.713 8.768 -2.779 242 HD1 PHE 34 2HD PHE 34 -6.832 11.841 -0.960 243 HD2 PHE 34 1HD PHE 34 -6.898 7.586 -0.887 244 HE1 PHE 34 2HE PHE 34 -6.340 11.879 1.450 245 HE2 PHE 34 1HE PHE 34 -6.407 7.616 1.524 246 HZ PHE 34 HZ PHE 34 -6.126 9.765 2.695 247 H LEU 35 H LEU 35 -6.258 7.280 -3.576 248 HA LEU 35 HA LEU 35 -4.437 6.253 -1.812 249 HB2 LEU 35 1HB LEU 35 -5.537 5.224 -4.393 250 HB3 LEU 35 2HB LEU 35 -4.317 4.294 -3.525 251 HG LEU 35 HG LEU 35 -6.870 5.162 -2.203 252 HD11 LEU 35 1HD1 LEU 35 -6.432 2.554 -3.644 253 HD12 LEU 35 2HD1 LEU 35 -7.381 3.896 -4.282 254 HD13 LEU 35 3HD1 LEU 35 -7.889 3.083 -2.803 255 HD21 LEU 35 1HD2 LEU 35 -4.816 3.022 -1.679 256 HD22 LEU 35 2HD2 LEU 35 -6.367 3.118 -0.844 257 HD23 LEU 35 3HD2 LEU 35 -5.194 4.425 -0.679 258 H LYS 36 H LYS 36 -3.843 6.605 -5.314 259 HA LYS 36 HA LYS 36 -1.204 5.891 -5.412 260 HB2 LYS 36 1HB LYS 36 -2.466 8.170 -6.948 261 HB3 LYS 36 2HB LYS 36 -1.002 7.306 -7.399 262 HG2 LYS 36 1HG LYS 36 -2.143 5.449 -8.093 263 HG3 LYS 36 2HG LYS 36 -3.511 5.754 -7.020 264 HD2 LYS 36 1HD LYS 36 -4.462 6.330 -9.015 265 HD3 LYS 36 2HD LYS 36 -3.773 7.891 -8.563 266 HE2 LYS 36 1HE LYS 36 -1.866 7.521 -9.974 267 HE3 LYS 36 2HE LYS 36 -2.378 5.868 -10.308 268 HZ1 LYS 36 1HZ LYS 36 -3.552 8.394 -11.278 269 HZ2 LYS 36 2HZ LYS 36 -4.474 6.976 -11.240 270 HZ3 LYS 36 3HZ LYS 36 -3.060 7.041 -12.167 271 H SER 37 H SER 37 -2.547 9.015 -4.462 272 HA SER 37 HA SER 37 -0.094 10.397 -4.262 273 HB2 SER 37 1HB SER 37 -2.299 11.523 -4.349 274 HB3 SER 37 2HB SER 37 -2.663 10.903 -2.738 275 HG SER 37 HG SER 37 -1.670 12.602 -2.027 276 H SER 38 H SER 38 -1.901 8.398 -2.003 277 HA SER 38 HA SER 38 -0.230 9.012 0.245 278 HB2 SER 38 1HB SER 38 -2.667 8.187 0.292 279 HB3 SER 38 2HB SER 38 -1.998 6.581 0.005 280 HG SER 38 HG SER 38 -1.323 6.513 1.999 281 H LEU 39 H LEU 39 -0.678 6.065 -1.716 282 HA LEU 39 HA LEU 39 1.413 4.592 -0.607 283 HB2 LEU 39 1HB LEU 39 0.511 4.450 -3.476 284 HB3 LEU 39 2HB LEU 39 1.264 3.171 -2.525 285 HG LEU 39 HG LEU 39 -1.393 4.288 -1.713 286 HD11 LEU 39 1HD1 LEU 39 -2.332 2.302 -3.037 287 HD12 LEU 39 2HD1 LEU 39 -0.824 2.372 -3.947 288 HD13 LEU 39 3HD1 LEU 39 -1.906 3.765 -3.926 289 HD21 LEU 39 1HD2 LEU 39 -1.622 2.319 -0.518 290 HD22 LEU 39 2HD2 LEU 39 0.101 2.663 -0.356 291 HD23 LEU 39 3HD2 LEU 39 -0.454 1.454 -1.517 292 H LYS 40 H LYS 40 1.408 6.966 -3.202 293 HA LYS 40 HA LYS 40 3.718 6.691 -4.509 294 HB2 LYS 40 1HB LYS 40 2.338 8.635 -4.856 295 HB3 LYS 40 2HB LYS 40 2.692 9.233 -3.241 296 HG2 LYS 40 1HG LYS 40 4.971 9.669 -3.834 297 HG3 LYS 40 2HG LYS 40 4.756 8.894 -5.405 298 HD2 LYS 40 1HD LYS 40 3.088 10.623 -5.988 299 HD3 LYS 40 2HD LYS 40 3.405 11.417 -4.444 300 HE2 LYS 40 1HE LYS 40 5.609 10.849 -6.400 301 HE3 LYS 40 2HE LYS 40 4.611 12.296 -6.535 302 HZ1 LYS 40 1HZ LYS 40 5.238 12.657 -4.097 303 HZ2 LYS 40 2HZ LYS 40 6.414 12.975 -5.271 304 HZ3 LYS 40 3HZ LYS 40 6.477 11.540 -4.378 305 H ASN 41 H ASN 41 3.680 8.561 -1.468 306 HA ASN 41 HA ASN 41 6.297 8.924 -1.001 307 HB2 ASN 41 1HB ASN 41 4.043 8.273 0.852 308 HB3 ASN 41 2HB ASN 41 5.676 8.360 1.505 309 HD21 ASN 41 1HD2 ASN 41 5.132 10.160 2.746 310 HD22 ASN 41 2HD2 ASN 41 4.941 11.727 2.043 311 H GLY 42 H GLY 42 4.555 5.899 -0.354 312 HA2 GLY 42 1HA GLY 42 5.512 3.754 -0.664 313 HA3 GLY 42 2HA GLY 42 7.109 4.475 -0.527 314 H VAL 43 H VAL 43 6.148 5.990 1.903 315 HA VAL 43 HA VAL 43 7.091 4.180 3.850 316 HB VAL 43 HB VAL 43 7.397 6.485 4.295 317 HG11 VAL 43 1HG1 VAL 43 4.729 6.718 3.259 318 HG12 VAL 43 2HG1 VAL 43 4.860 7.559 4.805 319 HG13 VAL 43 3HG1 VAL 43 5.954 7.966 3.483 320 HG21 VAL 43 1HG2 VAL 43 5.221 5.473 6.122 321 HG22 VAL 43 2HG2 VAL 43 6.943 5.126 6.273 322 HG23 VAL 43 3HG2 VAL 43 6.353 6.774 6.489 323 H VAL 44 H VAL 44 3.863 5.085 2.807 324 HA VAL 44 HA VAL 44 2.424 3.934 4.942 325 HB VAL 44 HB VAL 44 1.617 4.455 2.081 326 HG11 VAL 44 1HG1 VAL 44 -0.649 4.327 3.750 327 HG12 VAL 44 2HG1 VAL 44 -0.217 3.250 2.420 328 HG13 VAL 44 3HG1 VAL 44 0.299 2.873 4.065 329 HG21 VAL 44 1HG2 VAL 44 0.188 6.182 3.513 330 HG22 VAL 44 2HG2 VAL 44 1.556 6.001 4.612 331 HG23 VAL 44 3HG2 VAL 44 1.821 6.547 2.956 332 H LEU 45 H LEU 45 3.552 2.632 1.856 333 HA LEU 45 HA LEU 45 2.241 0.131 2.075 334 HB2 LEU 45 1HB LEU 45 4.604 1.085 0.486 335 HB3 LEU 45 2HB LEU 45 4.032 -0.580 0.403 336 HG LEU 45 HG LEU 45 2.108 1.636 -0.135 337 HD11 LEU 45 1HD1 LEU 45 4.536 1.230 -1.608 338 HD12 LEU 45 2HD1 LEU 45 3.259 2.420 -1.860 339 HD13 LEU 45 3HD1 LEU 45 3.141 0.828 -2.610 340 HD21 LEU 45 1HD2 LEU 45 0.829 -0.009 -0.941 341 HD22 LEU 45 2HD2 LEU 45 1.944 -1.103 -0.121 342 HD23 LEU 45 3HD2 LEU 45 2.167 -0.735 -1.833 343 H CYS 46 H CYS 46 5.462 1.261 2.996 344 HA CYS 46 HA CYS 46 6.523 -1.227 3.752 345 HB2 CYS 46 1HB CYS 46 7.178 1.531 4.811 346 HB3 CYS 46 2HB CYS 46 8.161 0.092 5.053 347 HG CYS 46 HG CYS 46 7.464 0.971 1.862 348 H LYS 47 H LYS 47 4.833 1.257 5.639 349 HA LYS 47 HA LYS 47 5.017 -0.029 8.133 350 HB2 LYS 47 1HB LYS 47 3.039 1.971 7.040 351 HB3 LYS 47 2HB LYS 47 3.001 1.406 8.705 352 HG2 LYS 47 1HG LYS 47 5.327 2.233 8.979 353 HG3 LYS 47 2HG LYS 47 5.227 2.915 7.354 354 HD2 LYS 47 1HD LYS 47 3.728 4.541 7.984 355 HD3 LYS 47 2HD LYS 47 3.102 3.592 9.334 356 HE2 LYS 47 1HE LYS 47 5.874 4.769 9.264 357 HE3 LYS 47 2HE LYS 47 4.485 5.594 9.970 358 HZ1 LYS 47 1HZ LYS 47 4.575 3.003 11.011 359 HZ2 LYS 47 2HZ LYS 47 4.814 4.464 11.827 360 HZ3 LYS 47 3HZ LYS 47 6.131 3.654 11.142 361 H LEU 48 H LEU 48 2.776 -0.378 5.465 362 HA LEU 48 HA LEU 48 0.770 -1.825 6.821 363 HB2 LEU 48 1HB LEU 48 0.278 -0.853 4.704 364 HB3 LEU 48 2HB LEU 48 1.591 -1.735 3.927 365 HG LEU 48 HG LEU 48 0.333 -3.844 4.334 366 HD11 LEU 48 1HD1 LEU 48 -1.971 -2.043 5.044 367 HD12 LEU 48 2HD1 LEU 48 -1.007 -2.912 6.237 368 HD13 LEU 48 3HD1 LEU 48 -1.937 -3.806 5.035 369 HD21 LEU 48 1HD2 LEU 48 -1.672 -2.432 2.825 370 HD22 LEU 48 2HD2 LEU 48 -0.465 -3.594 2.276 371 HD23 LEU 48 3HD2 LEU 48 -0.055 -1.882 2.386 372 H ILE 49 H ILE 49 3.229 -3.065 4.549 373 HA ILE 49 HA ILE 49 2.856 -5.755 4.940 374 HB ILE 49 HB ILE 49 4.383 -4.854 3.250 375 HG12 ILE 49 1HG1 ILE 49 6.347 -6.470 3.767 376 HG13 ILE 49 2HG1 ILE 49 5.422 -6.891 5.203 377 HG21 ILE 49 1HG2 ILE 49 6.712 -4.246 3.975 378 HG22 ILE 49 2HG2 ILE 49 5.459 -3.085 4.411 379 HG23 ILE 49 3HG2 ILE 49 6.102 -4.187 5.628 380 HD11 ILE 49 1HD1 ILE 49 4.827 -7.420 2.340 381 HD12 ILE 49 2HD1 ILE 49 4.717 -8.492 3.736 382 HD13 ILE 49 3HD1 ILE 49 3.491 -7.251 3.479 383 H ASN 50 H ASN 50 4.479 -3.471 7.026 384 HA ASN 50 HA ASN 50 5.818 -5.348 8.670 385 HB2 ASN 50 1HB ASN 50 5.102 -2.460 8.876 386 HB3 ASN 50 2HB ASN 50 5.570 -3.301 10.351 387 HD21 ASN 50 1HD2 ASN 50 6.727 -1.384 8.053 388 HD22 ASN 50 2HD2 ASN 50 8.374 -1.902 7.996 389 H ARG 51 H ARG 51 2.675 -3.727 8.935 390 HA ARG 51 HA ARG 51 1.972 -4.825 11.440 391 HB2 ARG 51 1HB ARG 51 0.902 -2.834 10.319 392 HB3 ARG 51 2HB ARG 51 0.067 -3.964 9.262 393 HG2 ARG 51 1HG ARG 51 -1.497 -3.506 10.907 394 HG3 ARG 51 2HG ARG 51 -0.792 -5.037 11.434 395 HD2 ARG 51 1HD ARG 51 0.424 -2.500 12.405 396 HD3 ARG 51 2HD ARG 51 -1.111 -3.016 13.101 397 HE ARG 51 HE ARG 51 0.654 -5.188 13.131 398 HH11 ARG 51 1HH1 ARG 51 0.248 -2.070 14.625 399 HH12 ARG 51 2HH1 ARG 51 1.056 -2.521 16.090 400 HH21 ARG 51 1HH2 ARG 51 1.721 -5.794 15.054 401 HH22 ARG 51 2HH2 ARG 51 1.894 -4.640 16.333 402 H LEU 52 H LEU 52 1.670 -5.985 8.153 403 HA LEU 52 HA LEU 52 -0.115 -8.133 8.774 404 HB2 LEU 52 1HB LEU 52 1.720 -7.916 6.399 405 HB3 LEU 52 2HB LEU 52 0.243 -8.867 6.532 406 HG LEU 52 HG LEU 52 0.407 -5.854 6.452 407 HD11 LEU 52 1HD1 LEU 52 0.908 -7.114 4.323 408 HD12 LEU 52 2HD1 LEU 52 -0.442 -5.982 4.252 409 HD13 LEU 52 3HD1 LEU 52 -0.749 -7.712 4.391 410 HD21 LEU 52 1HD2 LEU 52 -1.550 -6.035 7.544 411 HD22 LEU 52 2HD2 LEU 52 -1.741 -7.741 7.136 412 HD23 LEU 52 3HD2 LEU 52 -2.176 -6.499 5.962 413 H MET 53 H MET 53 3.355 -8.015 7.954 414 HA MET 53 HA MET 53 3.674 -10.563 9.400 415 HB2 MET 53 1HB MET 53 5.169 -9.571 6.968 416 HB3 MET 53 2HB MET 53 5.605 -11.009 7.882 417 HG2 MET 53 1HG MET 53 2.927 -10.626 6.574 418 HG3 MET 53 2HG MET 53 4.295 -11.414 5.791 419 HE1 MET 53 1HE MET 53 5.387 -13.958 7.091 420 HE2 MET 53 2HE MET 53 3.958 -14.885 6.631 421 HE3 MET 53 3HE MET 53 4.522 -13.566 5.604 422 HA PRO 54 HA PRO 54 6.307 -8.181 12.055 423 HB2 PRO 54 1HB PRO 54 7.280 -10.268 13.495 424 HB3 PRO 54 2HB PRO 54 5.652 -9.619 13.724 425 HG2 PRO 54 1HG PRO 54 6.531 -12.025 12.176 426 HG3 PRO 54 2HG PRO 54 5.141 -11.840 13.261 427 HD2 PRO 54 1HD PRO 54 4.908 -11.734 10.566 428 HD3 PRO 54 2HD PRO 54 3.863 -10.796 11.652 429 H GLY 55 H GLY 55 8.050 -7.349 11.035 430 HA2 GLY 55 1HA GLY 55 10.384 -7.304 10.722 431 HA3 GLY 55 2HA GLY 55 10.404 -9.060 10.790 432 H SER 56 H SER 56 8.792 -6.610 8.756 433 HA SER 56 HA SER 56 9.433 -8.238 6.409 434 HB2 SER 56 1HB SER 56 7.546 -5.899 6.762 435 HB3 SER 56 2HB SER 56 7.818 -6.736 5.234 436 HG SER 56 HG SER 56 7.137 -8.271 7.463 437 H VAL 57 H VAL 57 9.511 -4.807 7.379 438 HA VAL 57 HA VAL 57 11.572 -4.327 5.348 439 HB VAL 57 HB VAL 57 9.872 -2.402 6.934 440 HG11 VAL 57 1HG1 VAL 57 12.086 -1.868 4.962 441 HG12 VAL 57 2HG1 VAL 57 10.911 -0.657 5.479 442 HG13 VAL 57 3HG1 VAL 57 12.013 -1.377 6.654 443 HG21 VAL 57 1HG2 VAL 57 8.478 -3.137 5.274 444 HG22 VAL 57 2HG2 VAL 57 9.290 -1.820 4.428 445 HG23 VAL 57 3HG2 VAL 57 9.803 -3.486 4.163 446 H GLU 58 H GLU 58 13.573 -3.482 5.848 447 HA GLU 58 HA GLU 58 14.488 -3.972 8.547 448 HB2 GLU 58 1HB GLU 58 15.941 -3.094 6.048 449 HB3 GLU 58 2HB GLU 58 16.730 -3.388 7.592 450 HG2 GLU 58 1HG GLU 58 15.055 -5.517 6.340 451 HG3 GLU 58 2HG GLU 58 16.704 -5.239 5.783 452 H LYS 59 H LYS 59 14.388 -1.205 6.318 453 HA LYS 59 HA LYS 59 13.867 0.639 8.423 454 HB2 LYS 59 1HB LYS 59 16.012 1.985 7.951 455 HB3 LYS 59 2HB LYS 59 16.132 0.583 9.006 456 HG2 LYS 59 1HG LYS 59 17.163 -0.716 7.339 457 HG3 LYS 59 2HG LYS 59 16.732 0.431 6.068 458 HD2 LYS 59 1HD LYS 59 18.489 1.257 8.352 459 HD3 LYS 59 2HD LYS 59 19.159 0.406 6.959 460 HE2 LYS 59 1HE LYS 59 19.433 2.573 6.279 461 HE3 LYS 59 2HE LYS 59 17.832 2.243 5.621 462 HZ1 LYS 59 1HZ LYS 59 16.819 3.545 7.182 463 HZ2 LYS 59 2HZ LYS 59 18.278 4.383 7.012 464 HZ3 LYS 59 3HZ LYS 59 18.046 3.348 8.330 465 H PHE 60 H PHE 60 12.423 1.876 7.431 466 HA PHE 60 HA PHE 60 12.936 2.683 4.645 467 HB2 PHE 60 1HB PHE 60 10.466 3.079 4.525 468 HB3 PHE 60 2HB PHE 60 10.909 1.396 4.795 469 HD1 PHE 60 2HD PHE 60 10.973 0.642 7.296 470 HD2 PHE 60 1HD PHE 60 8.861 4.046 5.858 471 HE1 PHE 60 2HE PHE 60 9.526 0.580 9.285 472 HE2 PHE 60 1HE PHE 60 7.412 3.990 7.846 473 HZ PHE 60 HZ PHE 60 7.742 2.255 9.562 474 H CYS 61 H CYS 61 11.449 4.800 4.241 475 HA CYS 61 HA CYS 61 12.473 6.771 6.164 476 HB2 CYS 61 1HB CYS 61 12.996 6.768 3.583 477 HB3 CYS 61 2HB CYS 61 11.413 7.528 3.469 478 HG CYS 61 HG CYS 61 12.266 9.540 5.425 479 H LEU 62 H LEU 62 10.994 7.306 7.633 480 HA LEU 62 HA LEU 62 8.225 7.004 7.364 481 HB2 LEU 62 1HB LEU 62 9.882 8.709 9.206 482 HB3 LEU 62 2HB LEU 62 8.129 8.588 9.334 483 HG LEU 62 HG LEU 62 10.070 6.299 9.645 484 HD11 LEU 62 1HD1 LEU 62 9.892 8.182 11.440 485 HD12 LEU 62 2HD1 LEU 62 9.870 6.488 11.928 486 HD13 LEU 62 3HD1 LEU 62 8.362 7.397 11.831 487 HD21 LEU 62 1HD2 LEU 62 8.314 4.981 9.329 488 HD22 LEU 62 2HD2 LEU 62 7.254 6.376 9.127 489 HD23 LEU 62 3HD2 LEU 62 7.547 5.716 10.737 490 H ASP 63 H ASP 63 10.302 9.828 6.883 491 HA ASP 63 HA ASP 63 8.091 11.105 5.429 492 HB2 ASP 63 1HB ASP 63 8.429 12.074 7.754 493 HB3 ASP 63 2HB ASP 63 9.998 12.644 7.191 494 HA PRO 64 HA PRO 64 11.814 10.908 2.741 495 HB2 PRO 64 1HB PRO 64 10.401 10.487 0.461 496 HB3 PRO 64 2HB PRO 64 10.867 9.181 1.557 497 HG2 PRO 64 1HG PRO 64 8.247 10.608 1.317 498 HG3 PRO 64 2HG PRO 64 8.563 8.875 1.518 499 HD2 PRO 64 1HD PRO 64 7.826 10.471 3.578 500 HD3 PRO 64 2HD PRO 64 8.899 9.072 3.790 501 H GLN 65 H GLN 65 12.378 13.061 2.840 502 HA GLN 65 HA GLN 65 10.712 15.168 1.900 503 HB2 GLN 65 1HB GLN 65 12.695 15.248 3.575 504 HB3 GLN 65 2HB GLN 65 13.697 15.389 2.137 505 HG2 GLN 65 1HG GLN 65 12.156 17.339 1.502 506 HG3 GLN 65 2HG GLN 65 11.641 17.291 3.188 507 HE21 GLN 65 1HE2 GLN 65 13.746 16.959 4.656 508 HE22 GLN 65 2HE2 GLN 65 14.959 18.157 4.379 509 H THR 66 H THR 66 13.110 13.112 0.434 510 HA THR 66 HA THR 66 12.674 14.507 -2.125 511 HB THR 66 HB THR 66 14.952 13.915 -2.810 512 HG1 THR 66 1HG THR 66 14.931 12.129 -1.060 513 HG21 THR 66 1HG2 THR 66 14.724 16.096 -1.879 514 HG22 THR 66 2HG2 THR 66 16.189 15.398 -1.189 515 HG23 THR 66 3HG2 THR 66 14.708 15.462 -0.234 516 H GLU 67 H GLU 67 13.319 13.029 -4.020 517 HA GLU 67 HA GLU 67 11.615 10.830 -4.081 518 HB2 GLU 67 1HB GLU 67 12.278 11.863 -6.134 519 HB3 GLU 67 2HB GLU 67 13.977 11.544 -5.817 520 HG2 GLU 67 1HG GLU 67 13.174 9.045 -5.815 521 HG3 GLU 67 2HG GLU 67 11.847 9.706 -6.769 522 H ALA 68 H ALA 68 15.184 10.759 -4.060 523 HA ALA 68 HA ALA 68 15.755 8.152 -3.902 524 HB1 ALA 68 1HB ALA 68 17.099 9.701 -1.781 525 HB2 ALA 68 2HB ALA 68 17.780 8.743 -3.096 526 HB3 ALA 68 3HB ALA 68 17.186 10.373 -3.410 527 H ASP 69 H ASP 69 14.399 10.058 -1.259 528 HA ASP 69 HA ASP 69 14.506 7.930 0.649 529 HB2 ASP 69 1HB ASP 69 13.063 10.580 0.597 530 HB3 ASP 69 2HB ASP 69 12.917 9.448 1.939 531 H CYS 70 H CYS 70 12.007 9.273 -1.463 532 HA CYS 70 HA CYS 70 9.867 7.714 -0.504 533 HB2 CYS 70 1HB CYS 70 9.592 9.735 -1.911 534 HB3 CYS 70 2HB CYS 70 10.253 8.850 -3.281 535 HG CYS 70 HG CYS 70 7.356 9.202 -3.284 536 H ILE 71 H ILE 71 11.937 7.261 -3.370 537 HA ILE 71 HA ILE 71 10.884 4.879 -4.288 538 HB ILE 71 HB ILE 71 13.778 5.741 -4.334 539 HG12 ILE 71 1HG1 ILE 71 12.226 7.342 -5.387 540 HG13 ILE 71 2HG1 ILE 71 13.269 6.571 -6.577 541 HG21 ILE 71 1HG2 ILE 71 12.320 3.591 -5.855 542 HG22 ILE 71 2HG2 ILE 71 13.893 4.227 -6.332 543 HG23 ILE 71 3HG2 ILE 71 13.707 3.405 -4.782 544 HD11 ILE 71 1HD1 ILE 71 11.164 6.595 -7.566 545 HD12 ILE 71 2HD1 ILE 71 11.331 4.951 -6.949 546 HD13 ILE 71 3HD1 ILE 71 10.354 6.128 -6.071 547 H ASN 72 H ASN 72 13.626 5.280 -2.043 548 HA ASN 72 HA ASN 72 14.285 2.688 -1.542 549 HB2 ASN 72 1HB ASN 72 14.286 5.151 0.134 550 HB3 ASN 72 2HB ASN 72 14.564 3.613 0.946 551 HD21 ASN 72 1HD2 ASN 72 16.302 5.973 0.341 552 HD22 ASN 72 2HD2 ASN 72 17.699 5.300 -0.422 553 H ASN 73 H ASN 73 11.533 4.459 -0.228 554 HA ASN 73 HA ASN 73 10.691 2.517 1.627 555 HB2 ASN 73 1HB ASN 73 9.082 4.604 0.139 556 HB3 ASN 73 2HB ASN 73 8.495 3.677 1.517 557 HD21 ASN 73 1HD2 ASN 73 8.343 6.254 1.843 558 HD22 ASN 73 2HD2 ASN 73 9.591 6.868 2.869 559 H ILE 74 H ILE 74 9.365 3.243 -1.607 560 HA ILE 74 HA ILE 74 7.552 1.213 -1.845 561 HB ILE 74 HB ILE 74 9.370 2.314 -3.987 562 HG12 ILE 74 1HG1 ILE 74 6.448 2.904 -3.562 563 HG13 ILE 74 2HG1 ILE 74 7.698 3.809 -2.715 564 HG21 ILE 74 1HG2 ILE 74 7.209 0.284 -4.093 565 HG22 ILE 74 2HG2 ILE 74 7.292 1.466 -5.398 566 HG23 ILE 74 3HG2 ILE 74 8.677 0.429 -5.059 567 HD11 ILE 74 1HD1 ILE 74 7.519 5.173 -4.486 568 HD12 ILE 74 2HD1 ILE 74 8.597 4.000 -5.244 569 HD13 ILE 74 3HD1 ILE 74 6.859 3.912 -5.527 570 H ASN 75 H ASN 75 10.986 1.033 -2.787 571 HA ASN 75 HA ASN 75 11.021 -1.622 -3.606 572 HB2 ASN 75 1HB ASN 75 13.115 0.219 -2.498 573 HB3 ASN 75 2HB ASN 75 13.505 -1.470 -2.809 574 HD21 ASN 75 1HD2 ASN 75 12.254 1.464 -4.301 575 HD22 ASN 75 2HD2 ASN 75 12.798 1.100 -5.899 576 H ASP 76 H ASP 76 11.609 -0.261 -0.382 577 HA ASP 76 HA ASP 76 12.305 -2.567 0.975 578 HB2 ASP 76 1HB ASP 76 10.810 -0.106 1.860 579 HB3 ASP 76 2HB ASP 76 11.201 -1.406 2.982 580 H PHE 77 H PHE 77 9.047 -1.243 0.446 581 HA PHE 77 HA PHE 77 7.585 -3.143 1.835 582 HB2 PHE 77 1HB PHE 77 6.449 -1.214 1.035 583 HB3 PHE 77 2HB PHE 77 6.918 -1.539 -0.630 584 HD1 PHE 77 1HD PHE 77 5.200 -3.424 2.100 585 HD2 PHE 77 2HD PHE 77 5.185 -2.183 -1.972 586 HE1 PHE 77 1HE PHE 77 3.083 -4.626 1.745 587 HE2 PHE 77 2HE PHE 77 3.067 -3.382 -2.333 588 HZ PHE 77 HZ PHE 77 2.013 -4.605 -0.474 589 H LEU 78 H LEU 78 8.622 -3.194 -1.561 590 HA LEU 78 HA LEU 78 7.403 -5.568 -2.337 591 HB2 LEU 78 1HB LEU 78 10.101 -4.591 -3.252 592 HB3 LEU 78 2HB LEU 78 9.007 -5.661 -4.126 593 HG LEU 78 HG LEU 78 8.301 -2.814 -3.451 594 HD11 LEU 78 1HD1 LEU 78 9.168 -2.059 -5.460 595 HD12 LEU 78 2HD1 LEU 78 9.287 -3.682 -6.138 596 HD13 LEU 78 3HD1 LEU 78 10.420 -3.163 -4.891 597 HD21 LEU 78 1HD2 LEU 78 7.217 -4.113 -5.837 598 HD22 LEU 78 2HD2 LEU 78 6.405 -3.170 -4.588 599 HD23 LEU 78 3HD2 LEU 78 6.744 -4.880 -4.322 600 H LYS 79 H LYS 79 10.520 -5.036 -0.756 601 HA LYS 79 HA LYS 79 11.628 -7.547 -0.886 602 HB2 LYS 79 1HB LYS 79 11.661 -5.717 1.522 603 HB3 LYS 79 2HB LYS 79 12.811 -7.005 1.184 604 HG2 LYS 79 1HG LYS 79 13.309 -5.725 -0.981 605 HG3 LYS 79 2HG LYS 79 12.477 -4.375 -0.206 606 HD2 LYS 79 1HD LYS 79 14.047 -4.350 1.596 607 HD3 LYS 79 2HD LYS 79 14.782 -5.858 1.048 608 HE2 LYS 79 1HE LYS 79 15.656 -4.796 -0.910 609 HE3 LYS 79 2HE LYS 79 14.754 -3.319 -0.574 610 HZ1 LYS 79 1HZ LYS 79 16.614 -4.258 1.474 611 HZ2 LYS 79 2HZ LYS 79 16.213 -2.679 1.021 612 HZ3 LYS 79 3HZ LYS 79 17.281 -3.586 0.072 613 H GLY 80 H GLY 80 8.985 -6.433 1.129 614 HA2 GLY 80 1HA GLY 80 8.927 -8.900 2.663 615 HA3 GLY 80 2HA GLY 80 7.832 -7.536 2.836 616 H CYS 81 H CYS 81 7.042 -7.352 0.109 617 HA CYS 81 HA CYS 81 4.841 -9.033 0.063 618 HB2 CYS 81 1HB CYS 81 6.223 -7.787 -2.324 619 HB3 CYS 81 2HB CYS 81 4.563 -8.369 -2.278 620 HG CYS 81 HG CYS 81 5.596 -5.887 -0.182 621 H ALA 82 H ALA 82 8.044 -9.494 -1.327 622 HA ALA 82 HA ALA 82 7.609 -11.679 -2.957 623 HB1 ALA 82 1HB ALA 82 9.851 -10.362 -1.831 624 HB2 ALA 82 2HB ALA 82 10.067 -12.097 -1.593 625 HB3 ALA 82 3HB ALA 82 9.799 -11.456 -3.214 626 H THR 83 H THR 83 7.646 -11.505 0.514 627 HA THR 83 HA THR 83 8.087 -14.209 1.125 628 HB THR 83 HB THR 83 6.612 -12.034 2.600 629 HG1 THR 83 1HG THR 83 8.470 -12.036 3.841 630 HG21 THR 83 1HG2 THR 83 6.751 -14.938 3.172 631 HG22 THR 83 2HG2 THR 83 5.522 -13.752 3.615 632 HG23 THR 83 3HG2 THR 83 7.028 -13.845 4.528 633 H LEU 84 H LEU 84 5.181 -12.461 0.204 634 HA LEU 84 HA LEU 84 3.506 -14.800 0.638 635 HB2 LEU 84 1HB LEU 84 2.834 -12.073 -0.459 636 HB3 LEU 84 2HB LEU 84 1.670 -13.345 -0.092 637 HG LEU 84 HG LEU 84 3.438 -12.360 2.095 638 HD11 LEU 84 1HD1 LEU 84 0.928 -10.918 1.270 639 HD12 LEU 84 2HD1 LEU 84 2.554 -10.347 0.897 640 HD13 LEU 84 3HD1 LEU 84 2.037 -10.499 2.576 641 HD21 LEU 84 1HD2 LEU 84 0.516 -12.936 2.268 642 HD22 LEU 84 2HD2 LEU 84 1.779 -13.148 3.480 643 HD23 LEU 84 3HD2 LEU 84 1.658 -14.272 2.126 644 H GLN 85 H GLN 85 5.513 -13.686 -1.763 645 HA GLN 85 HA GLN 85 5.839 -14.240 -3.944 646 HB2 GLN 85 1HB GLN 85 3.856 -16.446 -3.362 647 HB3 GLN 85 2HB GLN 85 4.975 -16.388 -4.718 648 HG2 GLN 85 1HG GLN 85 6.820 -16.801 -3.381 649 HG3 GLN 85 2HG GLN 85 5.991 -16.293 -1.910 650 HE21 GLN 85 1HE2 GLN 85 5.233 -17.827 -0.636 651 HE22 GLN 85 2HE2 GLN 85 4.972 -19.476 -1.080 652 H VAL 86 H VAL 86 3.722 -12.363 -3.214 653 HA VAL 86 HA VAL 86 1.646 -12.810 -5.207 654 HB VAL 86 HB VAL 86 0.742 -10.621 -4.363 655 HG11 VAL 86 1HG1 VAL 86 1.189 -12.807 -2.332 656 HG12 VAL 86 2HG1 VAL 86 -0.046 -11.550 -2.227 657 HG13 VAL 86 3HG1 VAL 86 -0.104 -12.739 -3.529 658 HG21 VAL 86 1HG2 VAL 86 3.224 -10.185 -3.400 659 HG22 VAL 86 2HG2 VAL 86 1.780 -9.375 -2.793 660 HG23 VAL 86 3HG2 VAL 86 2.422 -10.784 -1.948 661 H GLU 87 H GLU 87 1.196 -11.338 -6.902 662 HA GLU 87 HA GLU 87 3.295 -10.578 -8.489 663 HB2 GLU 87 1HB GLU 87 1.698 -9.106 -9.677 664 HB3 GLU 87 2HB GLU 87 1.039 -10.703 -9.350 665 HG2 GLU 87 1HG GLU 87 -0.268 -9.851 -7.526 666 HG3 GLU 87 2HG GLU 87 0.483 -8.264 -7.679 667 H ILE 88 H ILE 88 4.565 -8.805 -8.755 668 HA ILE 88 HA ILE 88 4.246 -6.637 -6.783 669 HB ILE 88 HB ILE 88 6.700 -6.343 -6.861 670 HG12 ILE 88 1HG1 ILE 88 6.999 -9.042 -8.102 671 HG13 ILE 88 2HG1 ILE 88 6.713 -7.667 -9.163 672 HG21 ILE 88 1HG2 ILE 88 6.102 -7.511 -4.981 673 HG22 ILE 88 2HG2 ILE 88 5.438 -8.862 -5.898 674 HG23 ILE 88 3HG2 ILE 88 7.185 -8.670 -5.750 675 HD11 ILE 88 1HD1 ILE 88 8.744 -6.736 -8.728 676 HD12 ILE 88 2HD1 ILE 88 8.848 -7.443 -7.115 677 HD13 ILE 88 3HD1 ILE 88 9.140 -8.443 -8.537 678 H PHE 89 H PHE 89 5.419 -4.594 -7.482 679 HA PHE 89 HA PHE 89 5.252 -4.203 -10.390 680 HB2 PHE 89 1HB PHE 89 4.220 -1.950 -9.928 681 HB3 PHE 89 2HB PHE 89 3.182 -3.327 -9.573 682 HD1 PHE 89 1HD PHE 89 5.464 -0.865 -7.998 683 HD2 PHE 89 2HD PHE 89 2.242 -3.593 -7.458 684 HE1 PHE 89 1HE PHE 89 5.135 -0.019 -5.711 685 HE2 PHE 89 2HE PHE 89 1.907 -2.751 -5.171 686 HZ PHE 89 HZ PHE 89 3.355 -0.962 -4.294 687 H ASP 90 H ASP 90 6.095 -1.831 -10.861 688 HA ASP 90 HA ASP 90 8.758 -1.727 -9.674 689 HB2 ASP 90 1HB ASP 90 7.524 -0.613 -12.171 690 HB3 ASP 90 2HB ASP 90 9.024 0.071 -11.551 691 HA PRO 91 HA PRO 91 8.058 1.837 -7.213 692 HB2 PRO 91 1HB PRO 91 10.450 3.105 -7.411 693 HB3 PRO 91 2HB PRO 91 10.226 1.617 -6.484 694 HG2 PRO 91 1HG PRO 91 11.329 1.981 -9.243 695 HG3 PRO 91 2HG PRO 91 11.915 0.941 -7.932 696 HD2 PRO 91 1HD PRO 91 10.438 -0.007 -9.994 697 HD3 PRO 91 2HD PRO 91 10.349 -0.695 -8.359 698 H ASP 92 H ASP 92 8.625 2.080 -10.552 699 HA ASP 92 HA ASP 92 8.410 4.973 -10.661 700 HB2 ASP 92 1HB ASP 92 9.773 3.407 -12.252 701 HB3 ASP 92 2HB ASP 92 8.226 3.192 -13.066 702 H ASP 93 H ASP 93 6.478 2.147 -11.594 703 HA ASP 93 HA ASP 93 4.318 3.415 -12.760 704 HB2 ASP 93 1HB ASP 93 4.288 0.950 -11.004 705 HB3 ASP 93 2HB ASP 93 2.991 1.438 -12.092 706 H LEU 94 H LEU 94 4.830 2.684 -9.321 707 HA LEU 94 HA LEU 94 2.388 3.942 -8.507 708 HB2 LEU 94 1HB LEU 94 3.101 2.248 -7.080 709 HB3 LEU 94 2HB LEU 94 4.768 2.817 -7.083 710 HG LEU 94 HG LEU 94 4.086 4.740 -5.696 711 HD11 LEU 94 1HD1 LEU 94 1.940 5.052 -4.890 712 HD12 LEU 94 2HD1 LEU 94 1.453 3.394 -5.245 713 HD13 LEU 94 3HD1 LEU 94 1.654 4.555 -6.558 714 HD21 LEU 94 1HD2 LEU 94 4.764 2.362 -4.848 715 HD22 LEU 94 2HD2 LEU 94 3.091 2.301 -4.292 716 HD23 LEU 94 3HD2 LEU 94 4.168 3.574 -3.715 717 H TYR 95 H TYR 95 5.831 4.788 -8.140 718 HA TYR 95 HA TYR 95 5.502 7.253 -6.908 719 HB2 TYR 95 1HB TYR 95 7.675 6.102 -7.173 720 HB3 TYR 95 2HB TYR 95 7.653 6.481 -8.892 721 HD1 TYR 95 2HD TYR 95 7.422 8.199 -5.582 722 HD2 TYR 95 1HD TYR 95 8.772 8.370 -9.613 723 HE1 TYR 95 2HE TYR 95 8.524 10.349 -5.116 724 HE2 TYR 95 1HE TYR 95 9.878 10.519 -9.158 725 HH TYR 95 HH TYR 95 9.404 12.232 -6.164 726 H SER 96 H SER 96 6.181 6.757 -10.377 727 HA SER 96 HA SER 96 5.501 9.420 -11.080 728 HB2 SER 96 1HB SER 96 7.015 8.213 -12.500 729 HB3 SER 96 2HB SER 96 5.843 6.918 -12.744 730 HG SER 96 HG SER 96 4.727 8.155 -14.103 731 H GLY 97 H GLY 97 3.777 6.327 -11.382 732 HA2 GLY 97 1HA GLY 97 1.425 6.149 -11.037 733 HA3 GLY 97 2HA GLY 97 1.261 7.839 -11.489 734 H VAL 98 H VAL 98 2.851 5.098 -13.109 735 HA VAL 98 HA VAL 98 1.465 5.825 -15.576 736 HB VAL 98 HB VAL 98 3.700 3.846 -15.110 737 HG11 VAL 98 1HG1 VAL 98 2.633 4.888 -17.729 738 HG12 VAL 98 2HG1 VAL 98 3.878 3.660 -17.490 739 HG13 VAL 98 3HG1 VAL 98 2.206 3.322 -17.039 740 HG21 VAL 98 1HG2 VAL 98 4.384 6.070 -16.776 741 HG22 VAL 98 2HG2 VAL 98 3.738 6.659 -15.245 742 HG23 VAL 98 3HG2 VAL 98 5.113 5.555 -15.255 743 H ASN 99 H ASN 99 2.007 2.979 -13.518 744 HA ASN 99 HA ASN 99 -0.452 1.813 -14.644 745 HB2 ASN 99 1HB ASN 99 1.859 0.751 -15.300 746 HB3 ASN 99 2HB ASN 99 1.775 0.052 -13.686 747 HD21 ASN 99 1HD2 ASN 99 1.482 -0.928 -16.587 748 HD22 ASN 99 2HD2 ASN 99 0.083 -1.940 -16.519 749 H PHE 100 H PHE 100 -1.772 2.396 -12.960 750 HA PHE 100 HA PHE 100 -0.997 1.852 -10.225 751 HB2 PHE 100 1HB PHE 100 -2.318 3.869 -10.828 752 HB3 PHE 100 2HB PHE 100 -3.649 2.822 -11.309 753 HD1 PHE 100 2HD PHE 100 -1.374 3.024 -8.353 754 HD2 PHE 100 1HD PHE 100 -5.370 2.832 -9.806 755 HE1 PHE 100 2HE PHE 100 -2.212 3.034 -6.040 756 HE2 PHE 100 1HE PHE 100 -6.214 2.843 -7.495 757 HZ PHE 100 HZ PHE 100 -4.635 2.942 -5.609 758 H SER 101 H SER 101 -3.380 0.649 -12.556 759 HA SER 101 HA SER 101 -4.926 -1.051 -11.207 760 HB2 SER 101 1HB SER 101 -4.613 -0.805 -13.766 761 HB3 SER 101 2HB SER 101 -3.466 -2.135 -13.605 762 HG SER 101 HG SER 101 -5.416 -3.072 -12.345 763 H LYS 102 H LYS 102 -1.515 -1.629 -11.912 764 HA LYS 102 HA LYS 102 -1.408 -4.247 -10.838 765 HB2 LYS 102 1HB LYS 102 0.760 -2.183 -11.251 766 HB3 LYS 102 2HB LYS 102 1.063 -3.849 -10.777 767 HG2 LYS 102 1HG LYS 102 0.173 -4.662 -12.850 768 HG3 LYS 102 2HG LYS 102 -0.341 -3.038 -13.314 769 HD2 LYS 102 1HD LYS 102 1.627 -3.175 -14.473 770 HD3 LYS 102 2HD LYS 102 2.220 -2.503 -12.953 771 HE2 LYS 102 1HE LYS 102 2.088 -5.464 -13.273 772 HE3 LYS 102 2HE LYS 102 3.387 -4.579 -14.070 773 HZ1 LYS 102 1HZ LYS 102 3.692 -3.528 -11.744 774 HZ2 LYS 102 2HZ LYS 102 4.304 -5.077 -12.038 775 HZ3 LYS 102 3HZ LYS 102 2.850 -4.889 -11.194 776 H VAL 103 H VAL 103 -0.223 -1.161 -9.491 777 HA VAL 103 HA VAL 103 0.548 -2.010 -7.002 778 HB VAL 103 HB VAL 103 -0.848 0.591 -7.647 779 HG11 VAL 103 1HG1 VAL 103 0.852 1.169 -5.632 780 HG12 VAL 103 2HG1 VAL 103 -0.851 0.769 -5.399 781 HG13 VAL 103 3HG1 VAL 103 0.384 -0.474 -5.193 782 HG21 VAL 103 1HG2 VAL 103 1.406 -0.251 -8.800 783 HG22 VAL 103 2HG2 VAL 103 1.130 1.439 -8.377 784 HG23 VAL 103 3HG2 VAL 103 2.090 0.409 -7.314 785 H LEU 104 H LEU 104 -2.716 -1.192 -8.086 786 HA LEU 104 HA LEU 104 -3.992 -1.369 -5.589 787 HB2 LEU 104 1HB LEU 104 -4.983 -0.366 -7.615 788 HB3 LEU 104 2HB LEU 104 -5.133 -1.978 -8.313 789 HG LEU 104 HG LEU 104 -6.657 -2.556 -6.401 790 HD11 LEU 104 1HD1 LEU 104 -7.531 -0.903 -4.994 791 HD12 LEU 104 2HD1 LEU 104 -6.861 0.406 -5.967 792 HD13 LEU 104 3HD1 LEU 104 -5.792 -0.609 -5.000 793 HD21 LEU 104 1HD2 LEU 104 -8.353 -2.079 -7.765 794 HD22 LEU 104 2HD2 LEU 104 -7.165 -1.284 -8.799 795 HD23 LEU 104 3HD2 LEU 104 -8.083 -0.342 -7.623 796 H SER 105 H SER 105 -3.699 -3.791 -8.187 797 HA SER 105 HA SER 105 -5.003 -5.876 -6.857 798 HB2 SER 105 1HB SER 105 -2.734 -6.200 -8.829 799 HB3 SER 105 2HB SER 105 -4.033 -7.344 -8.496 800 HG SER 105 HG SER 105 -5.434 -6.101 -9.580 801 H THR 106 H THR 106 -1.506 -5.249 -7.143 802 HA THR 106 HA THR 106 -0.413 -7.275 -5.744 803 HB THR 106 HB THR 106 0.314 -4.353 -5.479 804 HG1 THR 106 1HG THR 106 1.774 -6.252 -6.949 805 HG21 THR 106 1HG2 THR 106 1.188 -5.777 -3.614 806 HG22 THR 106 2HG2 THR 106 2.443 -5.047 -4.617 807 HG23 THR 106 3HG2 THR 106 2.027 -6.749 -4.823 808 H LEU 107 H LEU 107 -1.895 -4.396 -4.279 809 HA LEU 107 HA LEU 107 -1.457 -5.269 -1.599 810 HB2 LEU 107 1HB LEU 107 -3.246 -3.162 -2.788 811 HB3 LEU 107 2HB LEU 107 -3.118 -3.454 -1.055 812 HG LEU 107 HG LEU 107 -0.787 -2.668 -2.798 813 HD11 LEU 107 1HD1 LEU 107 -1.438 -0.560 -1.099 814 HD12 LEU 107 2HD1 LEU 107 -2.972 -1.076 -1.797 815 HD13 LEU 107 3HD1 LEU 107 -1.635 -0.617 -2.851 816 HD21 LEU 107 1HD2 LEU 107 -0.765 -3.819 -0.342 817 HD22 LEU 107 2HD2 LEU 107 -0.811 -2.108 0.085 818 HD23 LEU 107 3HD2 LEU 107 0.481 -2.726 -0.944 819 H LEU 108 H LEU 108 -4.164 -5.438 -3.856 820 HA LEU 108 HA LEU 108 -6.173 -6.299 -2.158 821 HB2 LEU 108 1HB LEU 108 -5.578 -6.649 -5.043 822 HB3 LEU 108 2HB LEU 108 -6.821 -7.679 -4.337 823 HG LEU 108 HG LEU 108 -6.867 -4.668 -4.209 824 HD11 LEU 108 1HD1 LEU 108 -7.038 -5.926 -6.529 825 HD12 LEU 108 2HD1 LEU 108 -8.076 -4.556 -6.135 826 HD13 LEU 108 3HD1 LEU 108 -8.691 -6.202 -5.978 827 HD21 LEU 108 1HD2 LEU 108 -8.154 -6.284 -2.574 828 HD22 LEU 108 2HD2 LEU 108 -9.252 -6.429 -3.947 829 HD23 LEU 108 3HD2 LEU 108 -8.930 -4.846 -3.238 830 H ALA 109 H ALA 109 -3.767 -8.251 -3.898 831 HA ALA 109 HA ALA 109 -4.657 -10.765 -3.027 832 HB1 ALA 109 1HB ALA 109 -3.160 -11.209 -4.622 833 HB2 ALA 109 2HB ALA 109 -2.304 -9.688 -4.364 834 HB3 ALA 109 3HB ALA 109 -1.948 -11.084 -3.346 835 H VAL 110 H VAL 110 -2.012 -8.738 -1.753 836 HA VAL 110 HA VAL 110 -1.155 -10.286 0.332 837 HB VAL 110 HB VAL 110 -1.509 -7.286 0.361 838 HG11 VAL 110 1HG1 VAL 110 -1.139 -8.533 2.588 839 HG12 VAL 110 2HG1 VAL 110 0.496 -8.808 1.984 840 HG13 VAL 110 3HG1 VAL 110 -0.098 -7.162 2.204 841 HG21 VAL 110 1HG2 VAL 110 0.402 -7.089 -0.816 842 HG22 VAL 110 2HG2 VAL 110 1.146 -8.490 -0.045 843 HG23 VAL 110 3HG2 VAL 110 0.001 -8.715 -1.367 844 H ASN 111 H ASN 111 -3.838 -7.947 0.426 845 HA ASN 111 HA ASN 111 -4.559 -8.311 3.095 846 HB2 ASN 111 1HB ASN 111 -5.649 -6.503 2.204 847 HB3 ASN 111 2HB ASN 111 -5.928 -7.296 0.657 848 HD21 ASN 111 1HD2 ASN 111 -6.823 -7.786 4.059 849 HD22 ASN 111 2HD2 ASN 111 -8.495 -8.092 3.749 850 H LYS 112 H LYS 112 -5.524 -10.083 0.198 851 HA LYS 112 HA LYS 112 -7.490 -11.696 1.434 852 HB2 LYS 112 1HB LYS 112 -6.939 -11.275 -1.099 853 HB3 LYS 112 2HB LYS 112 -5.885 -12.668 -0.900 854 HG2 LYS 112 1HG LYS 112 -7.917 -13.507 -1.728 855 HG3 LYS 112 2HG LYS 112 -7.900 -13.905 -0.008 856 HD2 LYS 112 1HD LYS 112 -9.413 -12.147 0.501 857 HD3 LYS 112 2HD LYS 112 -9.242 -11.444 -1.109 858 HE2 LYS 112 1HE LYS 112 -11.238 -12.538 -1.351 859 HE3 LYS 112 2HE LYS 112 -10.124 -13.801 -1.872 860 HZ1 LYS 112 1HZ LYS 112 -11.961 -13.868 0.243 861 HZ2 LYS 112 2HZ LYS 112 -10.407 -13.990 0.900 862 HZ3 LYS 112 3HZ LYS 112 -10.915 -15.092 -0.278 863 H ALA 113 H ALA 113 -4.048 -12.228 0.757 864 HA ALA 113 HA ALA 113 -3.890 -14.860 1.709 865 HB1 ALA 113 1HB ALA 113 -1.420 -13.681 2.254 866 HB2 ALA 113 2HB ALA 113 -1.886 -14.563 0.799 867 HB3 ALA 113 3HB ALA 113 -2.055 -12.809 0.859 868 H THR 114 H THR 114 -3.502 -11.757 3.364 869 HA THR 114 HA THR 114 -2.664 -12.782 5.850 870 HB THR 114 HB THR 114 -3.541 -10.593 6.773 871 HG1 THR 114 1HG THR 114 -4.731 -9.368 5.518 872 HG21 THR 114 1HG2 THR 114 -1.862 -10.011 4.373 873 HG22 THR 114 2HG2 THR 114 -1.235 -11.092 5.618 874 HG23 THR 114 3HG2 THR 114 -1.689 -9.439 6.032 875 H GLU 115 H GLU 115 -5.882 -12.020 4.574 876 HA GLU 115 HA GLU 115 -7.470 -12.286 6.765 877 HB2 GLU 115 1HB GLU 115 -7.875 -13.172 3.925 878 HB3 GLU 115 2HB GLU 115 -9.123 -13.446 5.133 879 HG2 GLU 115 1HG GLU 115 -7.954 -10.726 4.683 880 HG3 GLU 115 2HG GLU 115 -9.275 -11.343 3.692 881 H SER 116 H SER 116 -8.141 -13.859 8.111 882 HA SER 116 HA SER 116 -8.273 -15.874 9.160 883 HB2 SER 116 1HB SER 116 -8.226 -16.638 6.281 884 HB3 SER 116 2HB SER 116 -7.959 -17.915 7.467 885 HG SER 116 HG SER 116 -10.231 -17.309 6.757 886 H GLY 117 H GLY 117 -5.835 -14.567 9.262 887 HA2 GLY 117 1HA GLY 117 -3.818 -16.671 8.878 888 HA3 GLY 117 2HA GLY 117 -3.483 -14.966 9.146 889 HA PRO 118 HA PRO 118 -2.684 -17.115 13.138 890 HB2 PRO 118 1HB PRO 118 -0.487 -15.638 13.741 891 HB3 PRO 118 2HB PRO 118 -0.423 -17.085 12.728 892 HG2 PRO 118 1HG PRO 118 -0.476 -14.205 11.916 893 HG3 PRO 118 2HG PRO 118 0.511 -15.530 11.274 894 HD2 PRO 118 1HD PRO 118 -1.717 -14.635 10.022 895 HD3 PRO 118 2HD PRO 118 -1.199 -16.332 9.952 896 H SER 119 H SER 119 -2.521 -16.172 15.330 897 HA SER 119 HA SER 119 -3.354 -14.836 16.973 898 HB2 SER 119 1HB SER 119 -2.387 -12.819 14.963 899 HB3 SER 119 2HB SER 119 -3.183 -12.299 16.448 900 HG SER 119 HG SER 119 -1.019 -14.111 16.491 901 H SER 120 H SER 120 -5.200 -15.935 15.064 902 HA SER 120 HA SER 120 -7.415 -15.848 14.554 903 HB2 SER 120 1HB SER 120 -7.197 -13.848 16.768 904 HB3 SER 120 2HB SER 120 -8.705 -13.942 15.858 905 HG SER 120 HG SER 120 -9.097 -15.491 17.242 906 H GLY 121 H GLY 121 -5.625 -14.553 12.827 907 HA2 GLY 121 1HA GLY 121 -6.591 -11.952 12.116 908 HA3 GLY 121 2HA GLY 121 -5.495 -12.950 11.172 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -28.236 3.932 0.271 2 HA2 GLY 1 1HA GLY 1 -27.013 1.851 1.959 3 HA3 GLY 1 2HA GLY 1 -27.784 1.404 0.445 4 H SER 2 H SER 2 -25.622 0.519 -0.018 5 HA SER 2 HA SER 2 -23.759 2.610 -0.936 6 HB2 SER 2 1HB SER 2 -23.090 0.791 0.852 7 HB3 SER 2 2HB SER 2 -22.895 -0.233 -0.570 8 HG SER 2 HG SER 2 -21.747 2.302 -0.655 9 H SER 3 H SER 3 -22.820 2.423 -2.981 10 HA SER 3 HA SER 3 -24.416 0.880 -4.874 11 HB2 SER 3 1HB SER 3 -23.249 2.266 -6.593 12 HB3 SER 3 2HB SER 3 -24.125 3.228 -5.402 13 HG SER 3 HG SER 3 -22.191 3.697 -4.391 14 H GLY 4 H GLY 4 -20.989 1.433 -4.084 15 HA2 GLY 4 1HA GLY 4 -19.822 -0.864 -3.935 16 HA3 GLY 4 2HA GLY 4 -20.310 -0.985 -5.619 17 H SER 5 H SER 5 -17.734 -1.273 -5.264 18 HA SER 5 HA SER 5 -16.619 1.133 -6.445 19 HB2 SER 5 1HB SER 5 -16.313 1.284 -3.916 20 HB3 SER 5 2HB SER 5 -15.218 -0.090 -4.066 21 HG SER 5 HG SER 5 -14.946 2.514 -5.121 22 H SER 6 H SER 6 -14.195 0.690 -6.973 23 HA SER 6 HA SER 6 -14.075 -2.006 -8.136 24 HB2 SER 6 1HB SER 6 -12.924 0.643 -8.969 25 HB3 SER 6 2HB SER 6 -12.219 -0.862 -9.560 26 HG SER 6 HG SER 6 -14.590 -1.328 -10.074 27 H GLY 7 H GLY 7 -13.431 -1.786 -5.446 28 HA2 GLY 7 1HA GLY 7 -11.777 -2.844 -4.171 29 HA3 GLY 7 2HA GLY 7 -10.663 -2.678 -5.520 30 H GLU 8 H GLU 8 -10.849 0.071 -5.966 31 HA GLU 8 HA GLU 8 -8.900 1.191 -4.525 32 HB2 GLU 8 1HB GLU 8 -11.434 2.591 -5.394 33 HB3 GLU 8 2HB GLU 8 -9.963 3.415 -4.896 34 HG2 GLU 8 1HG GLU 8 -8.802 2.773 -6.787 35 HG3 GLU 8 2HG GLU 8 -9.883 1.419 -7.114 36 H GLU 9 H GLU 9 -12.323 1.597 -3.594 37 HA GLU 9 HA GLU 9 -11.827 2.820 -1.129 38 HB2 GLU 9 1HB GLU 9 -14.030 2.731 -2.330 39 HB3 GLU 9 2HB GLU 9 -14.190 1.063 -1.800 40 HG2 GLU 9 1HG GLU 9 -15.382 2.088 -0.168 41 HG3 GLU 9 2HG GLU 9 -13.782 2.140 0.571 42 H GLN 10 H GLN 10 -12.431 -0.598 -1.898 43 HA GLN 10 HA GLN 10 -12.440 -1.701 0.606 44 HB2 GLN 10 1HB GLN 10 -11.489 -2.682 -2.049 45 HB3 GLN 10 2HB GLN 10 -11.149 -3.654 -0.624 46 HG2 GLN 10 1HG GLN 10 -13.928 -2.697 -1.046 47 HG3 GLN 10 2HG GLN 10 -13.325 -4.011 -2.055 48 HE21 GLN 10 1HE2 GLN 10 -12.065 -5.698 -0.678 49 HE22 GLN 10 2HE2 GLN 10 -12.894 -6.238 0.739 50 H ILE 11 H ILE 11 -9.581 -0.965 -1.371 51 HA ILE 11 HA ILE 11 -7.670 -1.904 0.472 52 HB ILE 11 HB ILE 11 -7.321 0.284 -1.581 53 HG12 ILE 11 1HG1 ILE 11 -8.209 -1.876 -2.489 54 HG13 ILE 11 2HG1 ILE 11 -6.626 -1.432 -3.119 55 HG21 ILE 11 1HG2 ILE 11 -5.575 -0.686 0.398 56 HG22 ILE 11 2HG2 ILE 11 -5.009 -1.341 -1.138 57 HG23 ILE 11 3HG2 ILE 11 -5.200 0.401 -0.939 58 HD11 ILE 11 1HD1 ILE 11 -7.376 -3.852 -1.965 59 HD12 ILE 11 2HD1 ILE 11 -5.749 -3.330 -2.402 60 HD13 ILE 11 3HD1 ILE 11 -6.353 -3.059 -0.768 61 H VAL 12 H VAL 12 -8.758 1.427 -0.199 62 HA VAL 12 HA VAL 12 -7.284 2.798 1.663 63 HB VAL 12 HB VAL 12 -10.159 3.304 0.886 64 HG11 VAL 12 1HG1 VAL 12 -8.248 4.814 2.585 65 HG12 VAL 12 2HG1 VAL 12 -9.295 5.730 1.500 66 HG13 VAL 12 3HG1 VAL 12 -10.000 4.661 2.713 67 HG21 VAL 12 1HG2 VAL 12 -8.503 3.258 -0.967 68 HG22 VAL 12 2HG2 VAL 12 -9.272 4.830 -0.745 69 HG23 VAL 12 3HG2 VAL 12 -7.628 4.562 -0.164 70 H THR 13 H THR 13 -10.468 1.292 2.185 71 HA THR 13 HA THR 13 -10.665 1.957 4.917 72 HB THR 13 HB THR 13 -11.943 -0.418 3.553 73 HG1 THR 13 1HG THR 13 -13.000 1.039 2.453 74 HG21 THR 13 1HG2 THR 13 -12.027 -0.260 6.073 75 HG22 THR 13 2HG2 THR 13 -13.593 -0.310 5.264 76 HG23 THR 13 3HG2 THR 13 -12.961 1.221 5.868 77 H TRP 14 H TRP 14 -9.534 -0.985 3.282 78 HA TRP 14 HA TRP 14 -9.084 -2.599 5.477 79 HB2 TRP 14 1HB TRP 14 -8.826 -3.573 3.337 80 HB3 TRP 14 2HB TRP 14 -7.637 -2.369 2.844 81 HD1 TRP 14 HD TRP 14 -7.554 -4.543 6.049 82 HE1 TRP 14 1HE TRP 14 -5.362 -5.893 6.036 83 HE3 TRP 14 3HE TRP 14 -5.766 -3.142 1.469 84 HZ2 TRP 14 2HZ TRP 14 -3.166 -6.309 4.312 85 HZ3 TRP 14 3HZ TRP 14 -3.612 -4.061 0.713 86 HH2 TRP 14 HH TRP 14 -2.341 -5.611 2.106 87 H LEU 15 H LEU 15 -6.618 -0.572 3.873 88 HA LEU 15 HA LEU 15 -4.546 -0.905 5.629 89 HB2 LEU 15 1HB LEU 15 -5.356 1.640 4.232 90 HB3 LEU 15 2HB LEU 15 -3.778 1.340 4.956 91 HG LEU 15 HG LEU 15 -4.912 -0.276 2.678 92 HD11 LEU 15 1HD1 LEU 15 -3.047 2.090 2.636 93 HD12 LEU 15 2HD1 LEU 15 -4.647 1.980 1.903 94 HD13 LEU 15 3HD1 LEU 15 -3.320 1.005 1.273 95 HD21 LEU 15 1HD2 LEU 15 -2.551 -0.462 4.361 96 HD22 LEU 15 2HD2 LEU 15 -2.154 -0.377 2.644 97 HD23 LEU 15 3HD2 LEU 15 -3.237 -1.636 3.238 98 H ILE 16 H ILE 16 -6.994 1.683 5.814 99 HA ILE 16 HA ILE 16 -6.166 2.846 8.187 100 HB ILE 16 HB ILE 16 -8.998 2.547 7.179 101 HG12 ILE 16 1HG1 ILE 16 -7.087 4.871 6.880 102 HG13 ILE 16 2HG1 ILE 16 -7.353 3.655 5.635 103 HG21 ILE 16 1HG2 ILE 16 -9.043 3.135 9.504 104 HG22 ILE 16 2HG2 ILE 16 -7.823 4.383 9.258 105 HG23 ILE 16 3HG2 ILE 16 -9.430 4.571 8.558 106 HD11 ILE 16 1HD1 ILE 16 -9.253 5.724 6.668 107 HD12 ILE 16 2HD1 ILE 16 -8.701 5.447 5.015 108 HD13 ILE 16 3HD1 ILE 16 -9.813 4.309 5.776 109 H SER 17 H SER 17 -8.702 0.366 7.794 110 HA SER 17 HA SER 17 -9.438 -0.070 10.366 111 HB2 SER 17 1HB SER 17 -10.199 -1.300 8.246 112 HB3 SER 17 2HB SER 17 -8.851 -2.399 8.541 113 HG SER 17 HG SER 17 -10.786 -1.812 10.519 114 H LEU 18 H LEU 18 -6.532 -1.345 8.797 115 HA LEU 18 HA LEU 18 -5.640 -2.915 10.960 116 HB2 LEU 18 1HB LEU 18 -4.327 -1.712 8.560 117 HB3 LEU 18 2HB LEU 18 -3.346 -2.482 9.805 118 HG LEU 18 HG LEU 18 -5.563 -3.855 8.289 119 HD11 LEU 18 1HD1 LEU 18 -2.702 -4.519 7.873 120 HD12 LEU 18 2HD1 LEU 18 -3.333 -3.068 7.095 121 HD13 LEU 18 3HD1 LEU 18 -4.069 -4.636 6.764 122 HD21 LEU 18 1HD2 LEU 18 -5.384 -5.227 10.063 123 HD22 LEU 18 2HD2 LEU 18 -3.805 -4.594 10.529 124 HD23 LEU 18 3HD2 LEU 18 -3.930 -5.789 9.237 125 H GLY 19 H GLY 19 -4.908 0.426 10.005 126 HA2 GLY 19 1HA GLY 19 -4.718 2.055 11.837 127 HA3 GLY 19 2HA GLY 19 -3.806 0.837 12.716 128 H VAL 20 H VAL 20 -3.456 1.674 9.305 129 HA VAL 20 HA VAL 20 -0.739 2.647 9.912 130 HB VAL 20 HB VAL 20 -0.084 1.863 7.653 131 HG11 VAL 20 1HG1 VAL 20 -0.743 0.217 9.941 132 HG12 VAL 20 2HG1 VAL 20 -0.764 -0.708 8.439 133 HG13 VAL 20 3HG1 VAL 20 0.683 0.188 8.904 134 HG21 VAL 20 1HG2 VAL 20 -2.263 1.885 6.585 135 HG22 VAL 20 2HG2 VAL 20 -1.550 0.276 6.474 136 HG23 VAL 20 3HG2 VAL 20 -2.823 0.597 7.652 137 H LEU 21 H LEU 21 -3.514 2.953 7.730 138 HA LEU 21 HA LEU 21 -2.469 5.468 6.687 139 HB2 LEU 21 1HB LEU 21 -3.424 3.858 5.120 140 HB3 LEU 21 2HB LEU 21 -4.958 3.917 5.986 141 HG LEU 21 HG LEU 21 -5.036 6.384 5.372 142 HD11 LEU 21 1HD1 LEU 21 -3.235 7.255 4.414 143 HD12 LEU 21 2HD1 LEU 21 -3.580 6.274 2.990 144 HD13 LEU 21 3HD1 LEU 21 -2.493 5.665 4.238 145 HD21 LEU 21 1HD2 LEU 21 -6.309 5.876 3.566 146 HD22 LEU 21 2HD2 LEU 21 -6.091 4.240 4.188 147 HD23 LEU 21 3HD2 LEU 21 -5.086 4.820 2.859 148 H GLU 22 H GLU 22 -3.767 7.402 6.674 149 HA GLU 22 HA GLU 22 -4.942 7.935 9.215 150 HB2 GLU 22 1HB GLU 22 -4.407 9.495 6.734 151 HB3 GLU 22 2HB GLU 22 -5.600 10.130 7.858 152 HG2 GLU 22 1HG GLU 22 -4.044 10.451 9.537 153 HG3 GLU 22 2HG GLU 22 -2.907 9.298 8.842 154 H SER 23 H SER 23 -7.063 8.310 9.765 155 HA SER 23 HA SER 23 -9.053 7.358 7.819 156 HB2 SER 23 1HB SER 23 -8.856 6.017 9.889 157 HB3 SER 23 2HB SER 23 -9.247 7.449 10.840 158 HG SER 23 HG SER 23 -11.020 5.922 10.261 159 HA PRO 24 HA PRO 24 -9.928 11.868 8.221 160 HB2 PRO 24 1HB PRO 24 -10.630 12.180 5.617 161 HB3 PRO 24 2HB PRO 24 -8.955 12.260 6.177 162 HG2 PRO 24 1HG PRO 24 -10.417 9.983 4.896 163 HG3 PRO 24 2HG PRO 24 -8.771 10.570 4.591 164 HD2 PRO 24 1HD PRO 24 -9.283 8.402 6.130 165 HD3 PRO 24 2HD PRO 24 -7.908 9.483 6.431 166 H LYS 25 H LYS 25 -11.843 12.315 9.093 167 HA LYS 25 HA LYS 25 -14.111 10.799 9.088 168 HB2 LYS 25 1HB LYS 25 -15.349 12.866 9.682 169 HB3 LYS 25 2HB LYS 25 -13.854 12.675 10.589 170 HG2 LYS 25 1HG LYS 25 -12.846 14.178 8.719 171 HG3 LYS 25 2HG LYS 25 -14.530 14.631 8.441 172 HD2 LYS 25 1HD LYS 25 -13.422 14.684 11.216 173 HD3 LYS 25 2HD LYS 25 -13.056 16.005 10.104 174 HE2 LYS 25 1HE LYS 25 -15.374 16.504 9.825 175 HE3 LYS 25 2HE LYS 25 -15.851 15.045 10.692 176 HZ1 LYS 25 1HZ LYS 25 -15.185 15.941 12.716 177 HZ2 LYS 25 2HZ LYS 25 -15.925 17.249 11.940 178 HZ3 LYS 25 3HZ LYS 25 -14.238 17.146 12.000 179 H LYS 26 H LYS 26 -13.433 13.515 6.888 180 HA LYS 26 HA LYS 26 -15.741 13.545 5.409 181 HB2 LYS 26 1HB LYS 26 -14.501 14.583 3.652 182 HB3 LYS 26 2HB LYS 26 -13.777 15.094 5.171 183 HG2 LYS 26 1HG LYS 26 -11.902 13.716 4.868 184 HG3 LYS 26 2HG LYS 26 -12.689 12.788 3.589 185 HD2 LYS 26 1HD LYS 26 -12.193 15.728 3.276 186 HD3 LYS 26 2HD LYS 26 -10.919 14.553 2.937 187 HE2 LYS 26 1HE LYS 26 -13.624 14.189 1.726 188 HE3 LYS 26 2HE LYS 26 -12.515 15.369 1.031 189 HZ1 LYS 26 1HZ LYS 26 -11.970 13.502 -0.142 190 HZ2 LYS 26 2HZ LYS 26 -12.287 12.446 1.141 191 HZ3 LYS 26 3HZ LYS 26 -10.869 13.369 1.136 192 H THR 27 H THR 27 -15.704 12.885 2.932 193 HA THR 27 HA THR 27 -15.006 10.023 2.804 194 HB THR 27 HB THR 27 -17.293 11.072 1.201 195 HG1 THR 27 1HG THR 27 -17.213 10.848 3.988 196 HG21 THR 27 1HG2 THR 27 -18.138 8.816 1.524 197 HG22 THR 27 2HG2 THR 27 -16.821 8.460 2.642 198 HG23 THR 27 3HG2 THR 27 -16.476 8.758 0.938 199 H ILE 28 H ILE 28 -13.425 9.724 1.385 200 HA ILE 28 HA ILE 28 -12.773 11.604 -0.651 201 HB ILE 28 HB ILE 28 -11.803 8.764 -0.308 202 HG12 ILE 28 1HG1 ILE 28 -10.191 11.170 0.419 203 HG13 ILE 28 2HG1 ILE 28 -11.455 10.646 1.526 204 HG21 ILE 28 1HG2 ILE 28 -10.818 11.045 -2.004 205 HG22 ILE 28 2HG2 ILE 28 -9.840 9.628 -1.626 206 HG23 ILE 28 3HG2 ILE 28 -11.342 9.446 -2.532 207 HD11 ILE 28 1HD1 ILE 28 -9.393 9.678 2.217 208 HD12 ILE 28 2HD1 ILE 28 -10.402 8.394 1.549 209 HD13 ILE 28 3HD1 ILE 28 -9.077 9.062 0.595 210 H CYS 29 H CYS 29 -14.035 11.888 -2.372 211 HA CYS 29 HA CYS 29 -15.742 9.862 -3.421 212 HB2 CYS 29 1HB CYS 29 -14.931 12.561 -4.514 213 HB3 CYS 29 2HB CYS 29 -16.149 11.528 -5.250 214 HG CYS 29 HG CYS 29 -17.387 13.629 -3.839 215 H ASP 30 H ASP 30 -12.673 11.284 -4.462 216 HA ASP 30 HA ASP 30 -12.479 9.211 -6.542 217 HB2 ASP 30 1HB ASP 30 -12.319 11.729 -7.114 218 HB3 ASP 30 2HB ASP 30 -10.715 11.642 -6.391 219 HA PRO 31 HA PRO 31 -9.511 7.837 -3.300 220 HB2 PRO 31 1HB PRO 31 -9.955 5.191 -3.715 221 HB3 PRO 31 2HB PRO 31 -10.965 6.180 -2.653 222 HG2 PRO 31 1HG PRO 31 -11.457 5.327 -5.480 223 HG3 PRO 31 2HG PRO 31 -12.584 5.368 -4.111 224 HD2 PRO 31 1HD PRO 31 -12.534 7.294 -6.014 225 HD3 PRO 31 2HD PRO 31 -12.958 7.632 -4.323 226 H GLU 32 H GLU 32 -9.898 7.269 -6.684 227 HA GLU 32 HA GLU 32 -7.722 5.625 -7.245 228 HB2 GLU 32 1HB GLU 32 -9.562 6.473 -8.819 229 HB3 GLU 32 2HB GLU 32 -8.564 7.906 -9.021 230 HG2 GLU 32 1HG GLU 32 -6.787 6.628 -9.961 231 HG3 GLU 32 2HG GLU 32 -7.595 5.113 -9.564 232 H GLU 33 H GLU 33 -7.864 9.181 -7.155 233 HA GLU 33 HA GLU 33 -5.049 9.471 -7.593 234 HB2 GLU 33 1HB GLU 33 -7.329 11.299 -7.023 235 HB3 GLU 33 2HB GLU 33 -5.708 11.885 -6.679 236 HG2 GLU 33 1HG GLU 33 -6.389 10.692 -9.337 237 HG3 GLU 33 2HG GLU 33 -6.736 12.382 -8.974 238 H PHE 34 H PHE 34 -7.178 9.865 -4.774 239 HA PHE 34 HA PHE 34 -5.371 10.690 -2.885 240 HB2 PHE 34 1HB PHE 34 -7.790 10.431 -2.469 241 HB3 PHE 34 2HB PHE 34 -7.595 8.681 -2.467 242 HD1 PHE 34 2HD PHE 34 -7.007 11.777 -0.618 243 HD2 PHE 34 1HD PHE 34 -6.570 7.544 -0.602 244 HE1 PHE 34 2HE PHE 34 -6.530 11.840 1.795 245 HE2 PHE 34 1HE PHE 34 -6.093 7.599 1.812 246 HZ PHE 34 HZ PHE 34 -6.071 9.749 3.013 247 H LEU 35 H LEU 35 -6.243 7.283 -3.492 248 HA LEU 35 HA LEU 35 -4.437 6.059 -1.829 249 HB2 LEU 35 1HB LEU 35 -5.724 5.296 -4.394 250 HB3 LEU 35 2HB LEU 35 -4.406 4.286 -3.803 251 HG LEU 35 HG LEU 35 -6.812 4.933 -2.117 252 HD11 LEU 35 1HD1 LEU 35 -7.448 3.843 -4.291 253 HD12 LEU 35 2HD1 LEU 35 -7.866 2.935 -2.839 254 HD13 LEU 35 3HD1 LEU 35 -6.466 2.463 -3.800 255 HD21 LEU 35 1HD2 LEU 35 -5.510 2.374 -1.763 256 HD22 LEU 35 2HD2 LEU 35 -5.848 3.641 -0.583 257 HD23 LEU 35 3HD2 LEU 35 -4.381 3.714 -1.560 258 H LYS 36 H LYS 36 -3.896 6.657 -5.307 259 HA LYS 36 HA LYS 36 -1.270 5.873 -5.482 260 HB2 LYS 36 1HB LYS 36 -2.559 8.215 -6.897 261 HB3 LYS 36 2HB LYS 36 -1.071 7.419 -7.393 262 HG2 LYS 36 1HG LYS 36 -2.173 5.510 -8.097 263 HG3 LYS 36 2HG LYS 36 -3.600 5.850 -7.115 264 HD2 LYS 36 1HD LYS 36 -4.393 6.427 -9.184 265 HD3 LYS 36 2HD LYS 36 -3.735 7.981 -8.667 266 HE2 LYS 36 1HE LYS 36 -2.079 6.014 -10.214 267 HE3 LYS 36 2HE LYS 36 -3.165 7.139 -11.028 268 HZ1 LYS 36 1HZ LYS 36 -1.553 8.467 -9.096 269 HZ2 LYS 36 2HZ LYS 36 -1.721 8.782 -10.749 270 HZ3 LYS 36 3HZ LYS 36 -0.592 7.641 -10.217 271 H SER 37 H SER 37 -2.522 9.031 -4.477 272 HA SER 37 HA SER 37 -0.069 10.358 -4.236 273 HB2 SER 37 1HB SER 37 -2.732 10.742 -2.875 274 HB3 SER 37 2HB SER 37 -1.354 11.787 -2.530 275 HG SER 37 HG SER 37 -2.097 11.334 -5.196 276 H SER 38 H SER 38 -1.819 8.283 -1.992 277 HA SER 38 HA SER 38 -0.049 8.762 0.207 278 HB2 SER 38 1HB SER 38 -2.381 8.058 0.562 279 HB3 SER 38 2HB SER 38 -2.039 6.521 -0.232 280 HG SER 38 HG SER 38 -0.406 7.261 1.902 281 H LEU 39 H LEU 39 -0.643 5.846 -1.765 282 HA LEU 39 HA LEU 39 1.493 4.339 -0.844 283 HB2 LEU 39 1HB LEU 39 0.460 4.310 -3.671 284 HB3 LEU 39 2HB LEU 39 1.243 2.991 -2.803 285 HG LEU 39 HG LEU 39 -1.438 4.132 -2.033 286 HD11 LEU 39 1HD1 LEU 39 -2.453 2.259 -3.154 287 HD12 LEU 39 2HD1 LEU 39 -0.874 1.655 -3.653 288 HD13 LEU 39 3HD1 LEU 39 -1.484 3.173 -4.310 289 HD21 LEU 39 1HD2 LEU 39 0.359 2.094 -0.953 290 HD22 LEU 39 2HD2 LEU 39 -1.300 1.540 -1.180 291 HD23 LEU 39 3HD2 LEU 39 -0.971 2.959 -0.184 292 H LYS 40 H LYS 40 1.386 6.718 -3.454 293 HA LYS 40 HA LYS 40 3.665 6.462 -4.809 294 HB2 LYS 40 1HB LYS 40 2.367 8.386 -5.241 295 HB3 LYS 40 2HB LYS 40 2.506 8.955 -3.583 296 HG2 LYS 40 1HG LYS 40 4.864 9.442 -3.931 297 HG3 LYS 40 2HG LYS 40 4.754 8.836 -5.585 298 HD2 LYS 40 1HD LYS 40 3.082 10.583 -6.080 299 HD3 LYS 40 2HD LYS 40 3.282 11.210 -4.442 300 HE2 LYS 40 1HE LYS 40 5.527 11.840 -4.862 301 HE3 LYS 40 2HE LYS 40 5.574 10.931 -6.371 302 HZ1 LYS 40 1HZ LYS 40 5.196 13.523 -6.321 303 HZ2 LYS 40 2HZ LYS 40 3.581 13.055 -6.135 304 HZ3 LYS 40 3HZ LYS 40 4.459 12.542 -7.487 305 H ASN 41 H ASN 41 3.681 8.358 -1.784 306 HA ASN 41 HA ASN 41 6.321 8.736 -1.403 307 HB2 ASN 41 1HB ASN 41 4.109 8.154 0.527 308 HB3 ASN 41 2HB ASN 41 5.759 8.266 1.133 309 HD21 ASN 41 1HD2 ASN 41 5.765 10.148 2.178 310 HD22 ASN 41 2HD2 ASN 41 5.350 11.673 1.481 311 H GLY 42 H GLY 42 4.571 5.758 -0.561 312 HA2 GLY 42 1HA GLY 42 5.506 3.592 -0.845 313 HA3 GLY 42 2HA GLY 42 7.111 4.304 -0.763 314 H VAL 43 H VAL 43 6.114 5.903 1.638 315 HA VAL 43 HA VAL 43 7.088 4.117 3.623 316 HB VAL 43 HB VAL 43 7.431 6.526 3.817 317 HG11 VAL 43 1HG1 VAL 43 5.691 7.761 3.096 318 HG12 VAL 43 2HG1 VAL 43 4.498 6.558 3.587 319 HG13 VAL 43 3HG1 VAL 43 5.177 7.666 4.780 320 HG21 VAL 43 1HG2 VAL 43 5.919 6.458 6.199 321 HG22 VAL 43 2HG2 VAL 43 6.450 4.808 5.877 322 HG23 VAL 43 3HG2 VAL 43 7.635 6.110 5.989 323 H VAL 44 H VAL 44 3.910 4.999 2.501 324 HA VAL 44 HA VAL 44 2.402 4.137 4.717 325 HB VAL 44 HB VAL 44 1.689 4.319 1.792 326 HG11 VAL 44 1HG1 VAL 44 -0.698 4.358 3.045 327 HG12 VAL 44 2HG1 VAL 44 0.018 2.906 2.342 328 HG13 VAL 44 3HG1 VAL 44 0.177 3.222 4.070 329 HG21 VAL 44 1HG2 VAL 44 1.924 6.223 3.901 330 HG22 VAL 44 2HG2 VAL 44 1.461 6.487 2.220 331 HG23 VAL 44 3HG2 VAL 44 0.230 6.107 3.425 332 H LEU 45 H LEU 45 3.732 2.429 1.950 333 HA LEU 45 HA LEU 45 2.351 -0.026 2.519 334 HB2 LEU 45 1HB LEU 45 4.666 0.615 0.701 335 HB3 LEU 45 2HB LEU 45 3.906 -0.971 0.809 336 HG LEU 45 HG LEU 45 2.200 1.382 0.149 337 HD11 LEU 45 1HD1 LEU 45 3.642 -0.048 -2.040 338 HD12 LEU 45 2HD1 LEU 45 4.394 1.335 -1.247 339 HD13 LEU 45 3HD1 LEU 45 2.840 1.523 -2.059 340 HD21 LEU 45 1HD2 LEU 45 1.552 -0.720 -1.477 341 HD22 LEU 45 2HD2 LEU 45 0.794 -0.357 0.073 342 HD23 LEU 45 3HD2 LEU 45 2.105 -1.534 -0.013 343 H CYS 46 H CYS 46 5.549 1.309 3.148 344 HA CYS 46 HA CYS 46 6.795 -1.018 4.084 345 HB2 CYS 46 1HB CYS 46 7.253 1.909 4.436 346 HB3 CYS 46 2HB CYS 46 8.104 0.803 5.507 347 HG CYS 46 HG CYS 46 8.507 1.301 2.187 348 H LYS 47 H LYS 47 4.631 1.247 5.645 349 HA LYS 47 HA LYS 47 5.056 0.172 8.283 350 HB2 LYS 47 1HB LYS 47 3.102 2.152 7.129 351 HB3 LYS 47 2HB LYS 47 2.991 1.603 8.796 352 HG2 LYS 47 1HG LYS 47 5.325 2.401 9.142 353 HG3 LYS 47 2HG LYS 47 5.274 3.090 7.518 354 HD2 LYS 47 1HD LYS 47 3.706 4.691 8.108 355 HD3 LYS 47 2HD LYS 47 3.137 3.766 9.500 356 HE2 LYS 47 1HE LYS 47 5.930 4.849 9.396 357 HE3 LYS 47 2HE LYS 47 4.583 5.864 9.907 358 HZ1 LYS 47 1HZ LYS 47 4.824 3.242 11.163 359 HZ2 LYS 47 2HZ LYS 47 4.321 4.715 11.824 360 HZ3 LYS 47 3HZ LYS 47 5.970 4.408 11.600 361 H LEU 48 H LEU 48 2.869 -0.367 5.627 362 HA LEU 48 HA LEU 48 0.880 -1.778 7.092 363 HB2 LEU 48 1HB LEU 48 0.212 -0.886 5.027 364 HB3 LEU 48 2HB LEU 48 1.589 -1.591 4.183 365 HG LEU 48 HG LEU 48 0.542 -3.850 4.629 366 HD11 LEU 48 1HD1 LEU 48 -1.928 -2.224 5.183 367 HD12 LEU 48 2HD1 LEU 48 -0.961 -2.992 6.442 368 HD13 LEU 48 3HD1 LEU 48 -1.756 -3.979 5.216 369 HD21 LEU 48 1HD2 LEU 48 0.412 -3.071 2.431 370 HD22 LEU 48 2HD2 LEU 48 -0.705 -1.774 2.858 371 HD23 LEU 48 3HD2 LEU 48 -1.259 -3.449 2.851 372 H ILE 49 H ILE 49 3.233 -3.015 4.709 373 HA ILE 49 HA ILE 49 2.930 -5.698 5.133 374 HB ILE 49 HB ILE 49 4.399 -4.746 3.401 375 HG12 ILE 49 1HG1 ILE 49 6.368 -6.391 3.836 376 HG13 ILE 49 2HG1 ILE 49 5.457 -6.846 5.271 377 HG21 ILE 49 1HG2 ILE 49 5.463 -3.040 4.845 378 HG22 ILE 49 2HG2 ILE 49 6.385 -4.323 5.628 379 HG23 ILE 49 3HG2 ILE 49 6.627 -3.983 3.915 380 HD11 ILE 49 1HD1 ILE 49 4.728 -7.192 2.393 381 HD12 ILE 49 2HD1 ILE 49 4.806 -8.398 3.678 382 HD13 ILE 49 3HD1 ILE 49 3.498 -7.215 3.657 383 H ASN 50 H ASN 50 4.864 -3.435 7.035 384 HA ASN 50 HA ASN 50 6.224 -5.227 8.660 385 HB2 ASN 50 1HB ASN 50 5.155 -2.470 9.292 386 HB3 ASN 50 2HB ASN 50 6.258 -3.358 10.340 387 HD21 ASN 50 1HD2 ASN 50 7.218 -1.073 9.683 388 HD22 ASN 50 2HD2 ASN 50 8.389 -1.157 8.415 389 H ARG 51 H ARG 51 2.956 -3.924 8.981 390 HA ARG 51 HA ARG 51 2.446 -5.135 11.512 391 HB2 ARG 51 1HB ARG 51 1.223 -3.146 10.686 392 HB3 ARG 51 2HB ARG 51 0.481 -4.142 9.441 393 HG2 ARG 51 1HG ARG 51 -1.174 -4.127 11.012 394 HG3 ARG 51 2HG ARG 51 -0.294 -5.580 11.490 395 HD2 ARG 51 1HD ARG 51 1.052 -3.891 12.979 396 HD3 ARG 51 2HD ARG 51 -0.393 -2.898 12.791 397 HE ARG 51 HE ARG 51 -1.437 -5.233 13.571 398 HH11 ARG 51 1HH1 ARG 51 1.225 -3.366 14.814 399 HH12 ARG 51 2HH1 ARG 51 1.010 -3.904 16.447 400 HH21 ARG 51 1HH2 ARG 51 -1.730 -5.949 15.717 401 HH22 ARG 51 2HH2 ARG 51 -0.670 -5.374 16.959 402 H LEU 52 H LEU 52 1.858 -6.048 8.160 403 HA LEU 52 HA LEU 52 0.221 -8.286 8.676 404 HB2 LEU 52 1HB LEU 52 2.096 -7.908 6.349 405 HB3 LEU 52 2HB LEU 52 0.671 -8.944 6.410 406 HG LEU 52 HG LEU 52 0.627 -5.928 6.521 407 HD11 LEU 52 1HD1 LEU 52 -0.644 -6.988 4.220 408 HD12 LEU 52 2HD1 LEU 52 0.976 -7.677 4.315 409 HD13 LEU 52 3HD1 LEU 52 0.761 -5.927 4.312 410 HD21 LEU 52 1HD2 LEU 52 -1.339 -6.474 7.535 411 HD22 LEU 52 2HD2 LEU 52 -1.437 -8.051 6.751 412 HD23 LEU 52 3HD2 LEU 52 -1.849 -6.591 5.850 413 H MET 53 H MET 53 3.718 -8.044 8.045 414 HA MET 53 HA MET 53 4.027 -10.680 9.325 415 HB2 MET 53 1HB MET 53 5.578 -9.513 7.009 416 HB3 MET 53 2HB MET 53 6.050 -10.971 7.872 417 HG2 MET 53 1HG MET 53 3.396 -10.652 6.502 418 HG3 MET 53 2HG MET 53 4.822 -11.325 5.717 419 HE1 MET 53 1HE MET 53 4.476 -14.527 5.800 420 HE2 MET 53 2HE MET 53 5.674 -13.233 5.787 421 HE3 MET 53 3HE MET 53 5.669 -14.417 7.094 422 HA PRO 54 HA PRO 54 6.549 -8.520 12.241 423 HB2 PRO 54 1HB PRO 54 7.705 -10.689 13.394 424 HB3 PRO 54 2HB PRO 54 6.030 -10.216 13.701 425 HG2 PRO 54 1HG PRO 54 7.098 -12.313 11.850 426 HG3 PRO 54 2HG PRO 54 5.706 -12.391 12.946 427 HD2 PRO 54 1HD PRO 54 5.444 -11.949 10.288 428 HD3 PRO 54 2HD PRO 54 4.332 -11.255 11.485 429 H GLY 55 H GLY 55 8.168 -7.416 11.242 430 HA2 GLY 55 1HA GLY 55 10.493 -7.118 10.963 431 HA3 GLY 55 2HA GLY 55 10.678 -8.861 10.836 432 H SER 56 H SER 56 8.596 -6.585 9.065 433 HA SER 56 HA SER 56 9.354 -7.833 6.567 434 HB2 SER 56 1HB SER 56 7.479 -5.523 7.135 435 HB3 SER 56 2HB SER 56 7.681 -6.307 5.568 436 HG SER 56 HG SER 56 7.186 -8.287 7.064 437 H VAL 57 H VAL 57 9.376 -4.489 7.812 438 HA VAL 57 HA VAL 57 11.575 -3.904 5.939 439 HB VAL 57 HB VAL 57 9.561 -2.019 7.170 440 HG11 VAL 57 1HG1 VAL 57 11.158 -0.474 6.931 441 HG12 VAL 57 2HG1 VAL 57 12.179 -1.551 5.977 442 HG13 VAL 57 3HG1 VAL 57 10.886 -0.640 5.197 443 HG21 VAL 57 1HG2 VAL 57 9.755 -2.040 4.287 444 HG22 VAL 57 2HG2 VAL 57 9.368 -3.641 4.916 445 HG23 VAL 57 3HG2 VAL 57 8.344 -2.263 5.320 446 H GLU 58 H GLU 58 13.493 -3.264 6.718 447 HA GLU 58 HA GLU 58 13.998 -3.425 9.522 448 HB2 GLU 58 1HB GLU 58 15.722 -2.630 7.177 449 HB3 GLU 58 2HB GLU 58 16.320 -2.670 8.830 450 HG2 GLU 58 1HG GLU 58 16.202 -4.966 8.962 451 HG3 GLU 58 2HG GLU 58 15.005 -5.084 7.674 452 H LYS 59 H LYS 59 14.646 -0.747 7.254 453 HA LYS 59 HA LYS 59 13.572 1.154 9.178 454 HB2 LYS 59 1HB LYS 59 16.430 1.264 8.196 455 HB3 LYS 59 2HB LYS 59 15.619 2.566 9.058 456 HG2 LYS 59 1HG LYS 59 15.763 -0.154 10.278 457 HG3 LYS 59 2HG LYS 59 17.163 0.919 10.339 458 HD2 LYS 59 1HD LYS 59 14.513 2.016 11.131 459 HD3 LYS 59 2HD LYS 59 15.328 0.917 12.246 460 HE2 LYS 59 1HE LYS 59 16.620 3.363 11.051 461 HE3 LYS 59 2HE LYS 59 15.806 3.350 12.615 462 HZ1 LYS 59 1HZ LYS 59 18.071 1.561 11.931 463 HZ2 LYS 59 2HZ LYS 59 17.380 1.803 13.455 464 HZ3 LYS 59 3HZ LYS 59 18.258 3.047 12.718 465 H PHE 60 H PHE 60 12.201 2.321 8.016 466 HA PHE 60 HA PHE 60 12.912 2.984 5.237 467 HB2 PHE 60 1HB PHE 60 10.487 3.296 4.865 468 HB3 PHE 60 2HB PHE 60 10.873 1.663 5.400 469 HD1 PHE 60 2HD PHE 60 10.620 1.181 7.920 470 HD2 PHE 60 1HD PHE 60 8.856 4.519 5.954 471 HE1 PHE 60 2HE PHE 60 8.994 1.397 9.753 472 HE2 PHE 60 1HE PHE 60 7.228 4.741 7.786 473 HZ PHE 60 HZ PHE 60 7.295 3.178 9.688 474 H CYS 61 H CYS 61 11.596 5.073 4.550 475 HA CYS 61 HA CYS 61 12.449 7.159 6.418 476 HB2 CYS 61 1HB CYS 61 13.055 6.984 3.850 477 HB3 CYS 61 2HB CYS 61 11.490 7.765 3.654 478 HG CYS 61 HG CYS 61 13.508 9.701 3.487 479 H LEU 62 H LEU 62 10.871 7.628 7.828 480 HA LEU 62 HA LEU 62 8.144 7.324 7.498 481 HB2 LEU 62 1HB LEU 62 9.769 9.161 9.222 482 HB3 LEU 62 2HB LEU 62 8.008 9.184 9.269 483 HG LEU 62 HG LEU 62 9.705 6.765 9.872 484 HD11 LEU 62 1HD1 LEU 62 9.780 7.333 12.041 485 HD12 LEU 62 2HD1 LEU 62 8.166 8.043 12.019 486 HD13 LEU 62 3HD1 LEU 62 9.547 8.973 11.436 487 HD21 LEU 62 1HD2 LEU 62 6.978 6.890 10.889 488 HD22 LEU 62 2HD2 LEU 62 7.815 5.588 10.044 489 HD23 LEU 62 3HD2 LEU 62 7.063 6.895 9.128 490 H ASP 63 H ASP 63 10.131 10.199 6.883 491 HA ASP 63 HA ASP 63 7.971 11.222 5.174 492 HB2 ASP 63 1HB ASP 63 9.456 12.685 7.341 493 HB3 ASP 63 2HB ASP 63 8.755 13.555 5.979 494 HA PRO 64 HA PRO 64 11.786 11.066 2.678 495 HB2 PRO 64 1HB PRO 64 10.473 10.734 0.325 496 HB3 PRO 64 2HB PRO 64 10.836 9.395 1.419 497 HG2 PRO 64 1HG PRO 64 8.285 10.924 1.076 498 HG3 PRO 64 2HG PRO 64 8.526 9.177 1.262 499 HD2 PRO 64 1HD PRO 64 7.747 10.767 3.311 500 HD3 PRO 64 2HD PRO 64 8.756 9.325 3.551 501 H GLN 65 H GLN 65 12.546 13.120 2.653 502 HA GLN 65 HA GLN 65 10.989 15.355 1.794 503 HB2 GLN 65 1HB GLN 65 13.825 14.930 2.633 504 HB3 GLN 65 2HB GLN 65 13.403 16.419 1.798 505 HG2 GLN 65 1HG GLN 65 13.189 17.011 4.010 506 HG3 GLN 65 2HG GLN 65 11.532 16.604 3.567 507 HE21 GLN 65 1HE2 GLN 65 10.521 15.478 5.050 508 HE22 GLN 65 2HE2 GLN 65 11.229 14.322 6.121 509 H THR 66 H THR 66 13.332 13.229 0.295 510 HA THR 66 HA THR 66 12.902 14.646 -2.255 511 HB THR 66 HB THR 66 15.141 13.956 -2.970 512 HG1 THR 66 1HG THR 66 15.146 12.108 -1.406 513 HG21 THR 66 1HG2 THR 66 15.424 15.296 -0.292 514 HG22 THR 66 2HG2 THR 66 14.702 16.114 -1.678 515 HG23 THR 66 3HG2 THR 66 16.373 15.556 -1.755 516 H GLU 67 H GLU 67 13.441 13.161 -4.172 517 HA GLU 67 HA GLU 67 11.645 11.027 -4.203 518 HB2 GLU 67 1HB GLU 67 12.274 12.088 -6.260 519 HB3 GLU 67 2HB GLU 67 13.966 11.677 -6.019 520 HG2 GLU 67 1HG GLU 67 11.976 9.475 -6.179 521 HG3 GLU 67 2HG GLU 67 12.444 10.309 -7.660 522 H ALA 68 H ALA 68 15.210 10.882 -4.235 523 HA ALA 68 HA ALA 68 15.710 8.244 -4.172 524 HB1 ALA 68 1HB ALA 68 17.519 9.787 -4.053 525 HB2 ALA 68 2HB ALA 68 16.998 10.368 -2.471 526 HB3 ALA 68 3HB ALA 68 17.633 8.733 -2.644 527 H ASP 69 H ASP 69 14.387 10.120 -1.510 528 HA ASP 69 HA ASP 69 14.547 8.008 0.409 529 HB2 ASP 69 1HB ASP 69 13.156 10.670 0.318 530 HB3 ASP 69 2HB ASP 69 12.822 9.529 1.618 531 H CYS 70 H CYS 70 12.032 9.246 -1.739 532 HA CYS 70 HA CYS 70 9.918 7.665 -0.755 533 HB2 CYS 70 1HB CYS 70 10.437 9.190 -3.266 534 HB3 CYS 70 2HB CYS 70 9.110 8.035 -3.258 535 HG CYS 70 HG CYS 70 7.641 10.119 -2.656 536 H ILE 71 H ILE 71 11.948 7.204 -3.652 537 HA ILE 71 HA ILE 71 10.975 4.776 -4.497 538 HB ILE 71 HB ILE 71 13.850 5.700 -4.558 539 HG12 ILE 71 1HG1 ILE 71 12.276 7.244 -5.652 540 HG13 ILE 71 2HG1 ILE 71 13.323 6.456 -6.828 541 HG21 ILE 71 1HG2 ILE 71 12.699 3.201 -5.289 542 HG22 ILE 71 2HG2 ILE 71 13.211 4.036 -6.754 543 HG23 ILE 71 3HG2 ILE 71 14.370 3.740 -5.458 544 HD11 ILE 71 1HD1 ILE 71 11.270 6.349 -7.851 545 HD12 ILE 71 2HD1 ILE 71 11.355 4.778 -7.052 546 HD13 ILE 71 3HD1 ILE 71 10.409 6.082 -6.335 547 H ASN 72 H ASN 72 13.566 5.346 -2.130 548 HA ASN 72 HA ASN 72 14.306 2.740 -1.609 549 HB2 ASN 72 1HB ASN 72 14.163 5.148 0.203 550 HB3 ASN 72 2HB ASN 72 14.831 3.608 0.737 551 HD21 ASN 72 1HD2 ASN 72 16.595 5.389 0.985 552 HD22 ASN 72 2HD2 ASN 72 17.729 5.462 -0.317 553 H ASN 73 H ASN 73 11.691 4.607 -0.091 554 HA ASN 73 HA ASN 73 10.828 2.757 1.771 555 HB2 ASN 73 1HB ASN 73 9.156 4.680 0.138 556 HB3 ASN 73 2HB ASN 73 8.611 3.857 1.597 557 HD21 ASN 73 1HD2 ASN 73 8.255 6.194 2.140 558 HD22 ASN 73 2HD2 ASN 73 9.553 7.021 2.925 559 H ILE 74 H ILE 74 9.535 3.187 -1.527 560 HA ILE 74 HA ILE 74 7.768 1.072 -1.569 561 HB ILE 74 HB ILE 74 9.471 2.038 -3.870 562 HG12 ILE 74 1HG1 ILE 74 6.626 2.822 -3.263 563 HG13 ILE 74 2HG1 ILE 74 7.989 3.711 -2.591 564 HG21 ILE 74 1HG2 ILE 74 6.832 0.586 -3.947 565 HG22 ILE 74 2HG2 ILE 74 7.821 1.073 -5.323 566 HG23 ILE 74 3HG2 ILE 74 8.399 -0.175 -4.219 567 HD11 ILE 74 1HD1 ILE 74 7.248 4.845 -4.543 568 HD12 ILE 74 2HD1 ILE 74 8.792 4.081 -4.920 569 HD13 ILE 74 3HD1 ILE 74 7.288 3.359 -5.492 570 H ASN 75 H ASN 75 11.146 1.010 -2.720 571 HA ASN 75 HA ASN 75 11.307 -1.672 -3.366 572 HB2 ASN 75 1HB ASN 75 13.296 0.385 -2.519 573 HB3 ASN 75 2HB ASN 75 13.815 -1.297 -2.569 574 HD21 ASN 75 1HD2 ASN 75 12.675 1.410 -4.430 575 HD22 ASN 75 2HD2 ASN 75 13.120 0.788 -5.980 576 H ASP 76 H ASP 76 11.936 -0.121 -0.236 577 HA ASP 76 HA ASP 76 12.763 -2.371 1.181 578 HB2 ASP 76 1HB ASP 76 11.383 0.169 2.010 579 HB3 ASP 76 2HB ASP 76 11.753 -1.086 3.189 580 H PHE 77 H PHE 77 9.486 -1.046 0.794 581 HA PHE 77 HA PHE 77 8.138 -2.920 2.363 582 HB2 PHE 77 1HB PHE 77 6.779 -1.149 1.807 583 HB3 PHE 77 2HB PHE 77 7.364 -1.083 0.147 584 HD1 PHE 77 1HD PHE 77 5.487 -3.419 2.373 585 HD2 PHE 77 2HD PHE 77 5.902 -1.705 -1.501 586 HE1 PHE 77 1HE PHE 77 3.482 -4.634 1.624 587 HE2 PHE 77 2HE PHE 77 3.897 -2.916 -2.256 588 HZ PHE 77 HZ PHE 77 2.684 -4.382 -0.692 589 H LEU 78 H LEU 78 8.885 -2.965 -1.105 590 HA LEU 78 HA LEU 78 7.540 -5.271 -1.834 591 HB2 LEU 78 1HB LEU 78 10.174 -4.200 -2.829 592 HB3 LEU 78 2HB LEU 78 9.271 -5.494 -3.614 593 HG LEU 78 HG LEU 78 8.177 -2.715 -3.211 594 HD11 LEU 78 1HD1 LEU 78 9.167 -3.707 -5.842 595 HD12 LEU 78 2HD1 LEU 78 10.312 -3.025 -4.687 596 HD13 LEU 78 3HD1 LEU 78 8.959 -2.053 -5.265 597 HD21 LEU 78 1HD2 LEU 78 7.198 -4.307 -5.431 598 HD22 LEU 78 2HD2 LEU 78 6.307 -3.465 -4.162 599 HD23 LEU 78 3HD2 LEU 78 6.929 -5.091 -3.874 600 H LYS 79 H LYS 79 10.844 -4.950 -0.569 601 HA LYS 79 HA LYS 79 11.862 -7.428 -0.716 602 HB2 LYS 79 1HB LYS 79 11.846 -5.753 1.802 603 HB3 LYS 79 2HB LYS 79 12.973 -7.055 1.447 604 HG2 LYS 79 1HG LYS 79 13.587 -5.684 -0.635 605 HG3 LYS 79 2HG LYS 79 12.768 -4.350 0.181 606 HD2 LYS 79 1HD LYS 79 14.276 -4.445 2.021 607 HD3 LYS 79 2HD LYS 79 14.966 -5.968 1.456 608 HE2 LYS 79 1HE LYS 79 16.559 -4.440 0.779 609 HE3 LYS 79 2HE LYS 79 15.568 -4.598 -0.670 610 HZ1 LYS 79 1HZ LYS 79 14.825 -2.500 -0.495 611 HZ2 LYS 79 2HZ LYS 79 16.223 -2.263 0.427 612 HZ3 LYS 79 3HZ LYS 79 14.741 -2.536 1.194 613 H GLY 80 H GLY 80 9.261 -6.438 1.448 614 HA2 GLY 80 1HA GLY 80 9.137 -9.039 2.719 615 HA3 GLY 80 2HA GLY 80 8.067 -7.678 3.016 616 H CYS 81 H CYS 81 7.363 -7.272 0.247 617 HA CYS 81 HA CYS 81 5.077 -8.810 0.054 618 HB2 CYS 81 1HB CYS 81 4.725 -7.830 -2.024 619 HB3 CYS 81 2HB CYS 81 5.816 -6.682 -1.256 620 HG CYS 81 HG CYS 81 7.996 -7.230 -2.715 621 H ALA 82 H ALA 82 8.267 -9.396 -1.351 622 HA ALA 82 HA ALA 82 7.768 -11.499 -3.033 623 HB1 ALA 82 1HB ALA 82 9.968 -11.163 -3.181 624 HB2 ALA 82 2HB ALA 82 10.066 -10.529 -1.537 625 HB3 ALA 82 3HB ALA 82 10.114 -12.270 -1.816 626 H THR 83 H THR 83 8.378 -11.701 0.468 627 HA THR 83 HA THR 83 8.325 -14.398 0.872 628 HB THR 83 HB THR 83 6.994 -12.318 2.619 629 HG1 THR 83 1HG THR 83 8.959 -11.955 3.395 630 HG21 THR 83 1HG2 THR 83 6.859 -15.089 2.837 631 HG22 THR 83 2HG2 THR 83 6.520 -13.914 4.108 632 HG23 THR 83 3HG2 THR 83 8.130 -14.618 3.964 633 H LEU 84 H LEU 84 5.534 -12.263 0.449 634 HA LEU 84 HA LEU 84 3.599 -14.322 0.870 635 HB2 LEU 84 1HB LEU 84 3.371 -11.607 -0.416 636 HB3 LEU 84 2HB LEU 84 2.005 -12.663 -0.063 637 HG LEU 84 HG LEU 84 3.803 -11.874 2.177 638 HD11 LEU 84 1HD1 LEU 84 2.151 -10.028 0.582 639 HD12 LEU 84 2HD1 LEU 84 3.539 -9.707 1.622 640 HD13 LEU 84 3HD1 LEU 84 1.941 -9.940 2.331 641 HD21 LEU 84 1HD2 LEU 84 1.519 -13.363 1.974 642 HD22 LEU 84 2HD2 LEU 84 0.895 -11.787 2.463 643 HD23 LEU 84 3HD2 LEU 84 2.111 -12.600 3.450 644 H GLN 85 H GLN 85 5.474 -13.256 -1.819 645 HA GLN 85 HA GLN 85 5.621 -13.942 -3.983 646 HB2 GLN 85 1HB GLN 85 4.121 -16.322 -2.880 647 HB3 GLN 85 2HB GLN 85 4.847 -16.259 -4.481 648 HG2 GLN 85 1HG GLN 85 7.045 -16.049 -3.531 649 HG3 GLN 85 2HG GLN 85 6.370 -15.940 -1.906 650 HE21 GLN 85 1HE2 GLN 85 8.296 -17.812 -2.663 651 HE22 GLN 85 2HE2 GLN 85 7.597 -19.389 -2.569 652 H VAL 86 H VAL 86 3.779 -12.059 -3.736 653 HA VAL 86 HA VAL 86 1.503 -13.014 -5.349 654 HB VAL 86 HB VAL 86 0.200 -11.112 -4.437 655 HG11 VAL 86 1HG1 VAL 86 0.699 -13.560 -3.293 656 HG12 VAL 86 2HG1 VAL 86 0.930 -12.441 -1.948 657 HG13 VAL 86 3HG1 VAL 86 -0.595 -12.452 -2.835 658 HG21 VAL 86 1HG2 VAL 86 2.782 -10.537 -3.170 659 HG22 VAL 86 2HG2 VAL 86 1.448 -9.455 -3.573 660 HG23 VAL 86 3HG2 VAL 86 1.391 -10.413 -2.093 661 H GLU 87 H GLU 87 0.479 -11.111 -6.598 662 HA GLU 87 HA GLU 87 2.218 -10.241 -8.552 663 HB2 GLU 87 1HB GLU 87 -0.423 -9.101 -7.646 664 HB3 GLU 87 2HB GLU 87 0.432 -8.505 -9.061 665 HG2 GLU 87 1HG GLU 87 0.398 -10.906 -9.896 666 HG3 GLU 87 2HG GLU 87 -0.777 -11.212 -8.619 667 H ILE 88 H ILE 88 3.552 -8.543 -8.840 668 HA ILE 88 HA ILE 88 3.595 -6.454 -6.765 669 HB ILE 88 HB ILE 88 6.092 -6.388 -7.048 670 HG12 ILE 88 1HG1 ILE 88 5.913 -9.192 -8.088 671 HG13 ILE 88 2HG1 ILE 88 5.842 -7.845 -9.219 672 HG21 ILE 88 1HG2 ILE 88 6.452 -8.485 -5.659 673 HG22 ILE 88 2HG2 ILE 88 5.277 -7.320 -5.049 674 HG23 ILE 88 3HG2 ILE 88 4.726 -8.785 -5.861 675 HD11 ILE 88 1HD1 ILE 88 8.069 -8.163 -9.248 676 HD12 ILE 88 2HD1 ILE 88 8.004 -7.129 -7.820 677 HD13 ILE 88 3HD1 ILE 88 8.100 -8.881 -7.637 678 H PHE 89 H PHE 89 5.030 -4.560 -7.524 679 HA PHE 89 HA PHE 89 4.719 -4.105 -10.408 680 HB2 PHE 89 1HB PHE 89 4.016 -1.732 -9.833 681 HB3 PHE 89 2HB PHE 89 2.823 -2.988 -9.514 682 HD1 PHE 89 1HD PHE 89 5.287 -0.733 -7.956 683 HD2 PHE 89 2HD PHE 89 2.042 -3.413 -7.323 684 HE1 PHE 89 1HE PHE 89 5.115 0.031 -5.624 685 HE2 PHE 89 2HE PHE 89 1.864 -2.652 -4.990 686 HZ PHE 89 HZ PHE 89 3.401 -0.927 -4.138 687 H ASP 90 H ASP 90 5.773 -1.779 -10.854 688 HA ASP 90 HA ASP 90 8.510 -2.028 -9.863 689 HB2 ASP 90 1HB ASP 90 7.242 -0.788 -12.267 690 HB3 ASP 90 2HB ASP 90 8.792 -0.160 -11.716 691 HA PRO 91 HA PRO 91 8.389 1.519 -7.283 692 HB2 PRO 91 1HB PRO 91 10.887 2.524 -7.628 693 HB3 PRO 91 2HB PRO 91 10.565 1.042 -6.720 694 HG2 PRO 91 1HG PRO 91 11.505 1.367 -9.544 695 HG3 PRO 91 2HG PRO 91 12.064 0.231 -8.303 696 HD2 PRO 91 1HD PRO 91 10.349 -0.489 -10.271 697 HD3 PRO 91 2HD PRO 91 10.299 -1.211 -8.650 698 H ASP 92 H ASP 92 8.750 1.800 -10.649 699 HA ASP 92 HA ASP 92 8.725 4.721 -10.614 700 HB2 ASP 92 1HB ASP 92 8.929 2.722 -12.871 701 HB3 ASP 92 2HB ASP 92 8.833 4.463 -13.118 702 H ASP 93 H ASP 93 6.720 1.984 -11.600 703 HA ASP 93 HA ASP 93 4.640 3.348 -12.832 704 HB2 ASP 93 1HB ASP 93 4.496 0.849 -11.131 705 HB3 ASP 93 2HB ASP 93 3.232 1.403 -12.226 706 H LEU 94 H LEU 94 4.960 2.454 -9.401 707 HA LEU 94 HA LEU 94 2.568 3.801 -8.625 708 HB2 LEU 94 1HB LEU 94 3.223 2.026 -7.245 709 HB3 LEU 94 2HB LEU 94 4.882 2.612 -7.135 710 HG LEU 94 HG LEU 94 4.122 4.464 -5.713 711 HD11 LEU 94 1HD1 LEU 94 1.914 4.728 -4.997 712 HD12 LEU 94 2HD1 LEU 94 1.436 3.135 -5.582 713 HD13 LEU 94 3HD1 LEU 94 1.777 4.429 -6.730 714 HD21 LEU 94 1HD2 LEU 94 4.650 1.989 -4.943 715 HD22 LEU 94 2HD2 LEU 94 2.964 2.048 -4.428 716 HD23 LEU 94 3HD2 LEU 94 4.119 3.223 -3.799 717 H TYR 95 H TYR 95 5.987 4.495 -7.868 718 HA TYR 95 HA TYR 95 5.714 6.934 -6.670 719 HB2 TYR 95 1HB TYR 95 7.868 5.840 -6.834 720 HB3 TYR 95 2HB TYR 95 7.881 6.042 -8.582 721 HD1 TYR 95 2HD TYR 95 7.423 8.231 -5.578 722 HD2 TYR 95 1HD TYR 95 9.290 7.682 -9.362 723 HE1 TYR 95 2HE TYR 95 8.577 10.387 -5.315 724 HE2 TYR 95 1HE TYR 95 10.450 9.836 -9.108 725 HH TYR 95 HH TYR 95 10.683 11.667 -7.869 726 H SER 96 H SER 96 6.170 6.402 -10.165 727 HA SER 96 HA SER 96 5.710 9.160 -10.794 728 HB2 SER 96 1HB SER 96 7.098 7.414 -12.120 729 HB3 SER 96 2HB SER 96 5.546 6.921 -12.797 730 HG SER 96 HG SER 96 6.654 8.540 -14.043 731 H GLY 97 H GLY 97 3.872 6.163 -11.403 732 HA2 GLY 97 1HA GLY 97 1.495 6.101 -10.946 733 HA3 GLY 97 2HA GLY 97 1.418 7.800 -11.388 734 H VAL 98 H VAL 98 2.972 5.089 -13.070 735 HA VAL 98 HA VAL 98 1.654 5.884 -15.532 736 HB VAL 98 HB VAL 98 3.622 3.639 -15.072 737 HG11 VAL 98 1HG1 VAL 98 2.567 4.944 -17.573 738 HG12 VAL 98 2HG1 VAL 98 3.981 3.889 -17.538 739 HG13 VAL 98 3HG1 VAL 98 2.398 3.258 -17.084 740 HG21 VAL 98 1HG2 VAL 98 4.793 5.589 -14.514 741 HG22 VAL 98 2HG2 VAL 98 5.199 5.305 -16.207 742 HG23 VAL 98 3HG2 VAL 98 4.006 6.531 -15.780 743 H ASN 99 H ASN 99 2.067 2.804 -13.772 744 HA ASN 99 HA ASN 99 -0.562 1.976 -14.817 745 HB2 ASN 99 1HB ASN 99 2.008 0.476 -14.531 746 HB3 ASN 99 2HB ASN 99 0.493 -0.402 -14.345 747 HD21 ASN 99 1HD2 ASN 99 0.153 -1.487 -16.143 748 HD22 ASN 99 2HD2 ASN 99 0.280 -0.858 -17.748 749 H PHE 100 H PHE 100 -1.829 2.529 -13.098 750 HA PHE 100 HA PHE 100 -1.056 1.833 -10.399 751 HB2 PHE 100 1HB PHE 100 -2.285 3.933 -10.902 752 HB3 PHE 100 2HB PHE 100 -3.668 2.972 -11.414 753 HD1 PHE 100 2HD PHE 100 -1.370 2.788 -8.479 754 HD2 PHE 100 1HD PHE 100 -5.369 3.154 -9.890 755 HE1 PHE 100 2HE PHE 100 -2.189 2.741 -6.160 756 HE2 PHE 100 1HE PHE 100 -6.195 3.109 -7.573 757 HZ PHE 100 HZ PHE 100 -4.604 2.901 -5.704 758 H SER 101 H SER 101 -3.499 0.824 -12.757 759 HA SER 101 HA SER 101 -5.118 -0.848 -11.454 760 HB2 SER 101 1HB SER 101 -4.877 -0.529 -13.987 761 HB3 SER 101 2HB SER 101 -3.708 -1.848 -13.926 762 HG SER 101 HG SER 101 -5.274 -3.235 -13.583 763 H LYS 102 H LYS 102 -1.732 -1.520 -12.164 764 HA LYS 102 HA LYS 102 -1.754 -4.191 -11.182 765 HB2 LYS 102 1HB LYS 102 0.499 -2.232 -11.639 766 HB3 LYS 102 2HB LYS 102 0.746 -3.904 -11.153 767 HG2 LYS 102 1HG LYS 102 -0.281 -4.686 -13.199 768 HG3 LYS 102 2HG LYS 102 -0.640 -3.025 -13.678 769 HD2 LYS 102 1HD LYS 102 1.296 -3.417 -14.857 770 HD3 LYS 102 2HD LYS 102 1.942 -2.702 -13.378 771 HE2 LYS 102 1HE LYS 102 3.290 -4.573 -13.734 772 HE3 LYS 102 2HE LYS 102 2.124 -5.114 -12.527 773 HZ1 LYS 102 1HZ LYS 102 2.599 -6.633 -14.503 774 HZ2 LYS 102 2HZ LYS 102 1.652 -5.562 -15.407 775 HZ3 LYS 102 3HZ LYS 102 0.980 -6.376 -14.085 776 H VAL 103 H VAL 103 -0.379 -1.199 -9.804 777 HA VAL 103 HA VAL 103 0.432 -2.114 -7.362 778 HB VAL 103 HB VAL 103 -0.923 0.526 -7.929 779 HG11 VAL 103 1HG1 VAL 103 -0.219 -0.593 -5.455 780 HG12 VAL 103 2HG1 VAL 103 1.022 0.606 -5.822 781 HG13 VAL 103 3HG1 VAL 103 -0.679 1.075 -5.791 782 HG21 VAL 103 1HG2 VAL 103 1.990 0.379 -7.567 783 HG22 VAL 103 2HG2 VAL 103 1.376 -0.404 -9.023 784 HG23 VAL 103 3HG2 VAL 103 1.035 1.301 -8.728 785 H LEU 104 H LEU 104 -2.842 -1.027 -8.217 786 HA LEU 104 HA LEU 104 -4.047 -1.281 -5.733 787 HB2 LEU 104 1HB LEU 104 -5.066 -0.293 -7.776 788 HB3 LEU 104 2HB LEU 104 -5.308 -1.925 -8.394 789 HG LEU 104 HG LEU 104 -6.727 -2.336 -6.323 790 HD11 LEU 104 1HD1 LEU 104 -7.055 0.626 -6.202 791 HD12 LEU 104 2HD1 LEU 104 -5.757 -0.144 -5.290 792 HD13 LEU 104 3HD1 LEU 104 -7.434 -0.601 -4.993 793 HD21 LEU 104 1HD2 LEU 104 -8.680 -1.114 -7.316 794 HD22 LEU 104 2HD2 LEU 104 -7.776 -2.121 -8.449 795 HD23 LEU 104 3HD2 LEU 104 -7.553 -0.371 -8.452 796 H SER 105 H SER 105 -3.967 -3.713 -8.342 797 HA SER 105 HA SER 105 -5.209 -5.773 -6.936 798 HB2 SER 105 1HB SER 105 -5.031 -6.237 -9.194 799 HB3 SER 105 2HB SER 105 -3.368 -5.659 -9.290 800 HG SER 105 HG SER 105 -3.923 -8.078 -9.299 801 H THR 106 H THR 106 -1.719 -5.223 -7.410 802 HA THR 106 HA THR 106 -0.555 -7.238 -6.096 803 HB THR 106 HB THR 106 0.122 -4.310 -5.805 804 HG1 THR 106 1HG THR 106 1.399 -6.354 -7.321 805 HG21 THR 106 1HG2 THR 106 2.457 -5.599 -5.334 806 HG22 THR 106 2HG2 THR 106 1.318 -6.691 -4.547 807 HG23 THR 106 3HG2 THR 106 1.391 -4.997 -4.065 808 H LEU 107 H LEU 107 -2.172 -4.516 -4.512 809 HA LEU 107 HA LEU 107 -1.599 -5.488 -1.867 810 HB2 LEU 107 1HB LEU 107 -3.273 -3.265 -2.977 811 HB3 LEU 107 2HB LEU 107 -3.360 -3.702 -1.272 812 HG LEU 107 HG LEU 107 -0.846 -2.827 -2.690 813 HD11 LEU 107 1HD1 LEU 107 -1.531 -0.920 -0.811 814 HD12 LEU 107 2HD1 LEU 107 -3.060 -1.310 -1.597 815 HD13 LEU 107 3HD1 LEU 107 -1.686 -0.771 -2.562 816 HD21 LEU 107 1HD2 LEU 107 -0.181 -4.111 -0.862 817 HD22 LEU 107 2HD2 LEU 107 -1.513 -3.540 0.145 818 HD23 LEU 107 3HD2 LEU 107 -0.172 -2.460 -0.239 819 H LEU 108 H LEU 108 -4.401 -5.454 -4.025 820 HA LEU 108 HA LEU 108 -6.374 -6.389 -2.358 821 HB2 LEU 108 1HB LEU 108 -5.806 -6.695 -5.258 822 HB3 LEU 108 2HB LEU 108 -7.072 -7.698 -4.555 823 HG LEU 108 HG LEU 108 -7.023 -4.687 -4.407 824 HD11 LEU 108 1HD1 LEU 108 -7.223 -5.673 -6.735 825 HD12 LEU 108 2HD1 LEU 108 -8.529 -4.611 -6.213 826 HD13 LEU 108 3HD1 LEU 108 -8.758 -6.359 -6.202 827 HD21 LEU 108 1HD2 LEU 108 -9.477 -6.325 -4.101 828 HD22 LEU 108 2HD2 LEU 108 -9.032 -4.796 -3.344 829 HD23 LEU 108 3HD2 LEU 108 -8.332 -6.306 -2.760 830 H ALA 109 H ALA 109 -3.939 -8.288 -4.101 831 HA ALA 109 HA ALA 109 -4.863 -10.828 -3.308 832 HB1 ALA 109 1HB ALA 109 -2.269 -11.321 -3.699 833 HB2 ALA 109 2HB ALA 109 -3.404 -11.069 -5.025 834 HB3 ALA 109 3HB ALA 109 -2.374 -9.745 -4.483 835 H VAL 110 H VAL 110 -2.314 -8.745 -1.954 836 HA VAL 110 HA VAL 110 -1.406 -10.372 0.078 837 HB VAL 110 HB VAL 110 -1.776 -7.375 0.195 838 HG11 VAL 110 1HG1 VAL 110 -0.479 -7.296 2.072 839 HG12 VAL 110 2HG1 VAL 110 -1.283 -8.844 2.338 840 HG13 VAL 110 3HG1 VAL 110 0.358 -8.800 1.692 841 HG21 VAL 110 1HG2 VAL 110 -0.436 -8.298 -1.728 842 HG22 VAL 110 2HG2 VAL 110 0.427 -7.181 -0.671 843 HG23 VAL 110 3HG2 VAL 110 0.705 -8.917 -0.534 844 H ASN 111 H ASN 111 -4.064 -8.005 0.259 845 HA ASN 111 HA ASN 111 -4.802 -8.367 2.892 846 HB2 ASN 111 1HB ASN 111 -5.945 -6.633 1.885 847 HB3 ASN 111 2HB ASN 111 -6.278 -7.559 0.424 848 HD21 ASN 111 1HD2 ASN 111 -7.465 -6.494 3.400 849 HD22 ASN 111 2HD2 ASN 111 -8.951 -7.375 3.401 850 H LYS 112 H LYS 112 -5.807 -10.231 0.051 851 HA LYS 112 HA LYS 112 -7.690 -11.883 1.261 852 HB2 LYS 112 1HB LYS 112 -7.457 -11.855 -1.132 853 HB3 LYS 112 2HB LYS 112 -5.796 -12.423 -1.029 854 HG2 LYS 112 1HG LYS 112 -6.945 -14.326 -1.638 855 HG3 LYS 112 2HG LYS 112 -6.827 -14.499 0.115 856 HD2 LYS 112 1HD LYS 112 -9.088 -13.662 0.378 857 HD3 LYS 112 2HD LYS 112 -9.210 -13.377 -1.360 858 HE2 LYS 112 1HE LYS 112 -9.363 -15.623 -1.851 859 HE3 LYS 112 2HE LYS 112 -8.538 -16.111 -0.372 860 HZ1 LYS 112 1HZ LYS 112 -11.354 -15.426 -0.790 861 HZ2 LYS 112 2HZ LYS 112 -10.665 -15.068 0.713 862 HZ3 LYS 112 3HZ LYS 112 -10.671 -16.661 0.144 863 H ALA 113 H ALA 113 -4.218 -12.510 0.751 864 HA ALA 113 HA ALA 113 -4.148 -14.968 2.112 865 HB1 ALA 113 1HB ALA 113 -1.639 -14.287 2.381 866 HB2 ALA 113 2HB ALA 113 -2.300 -14.641 0.785 867 HB3 ALA 113 3HB ALA 113 -2.090 -12.968 1.300 868 H THR 114 H THR 114 -3.402 -11.675 3.224 869 HA THR 114 HA THR 114 -3.033 -12.606 5.949 870 HB THR 114 HB THR 114 -2.566 -10.236 6.476 871 HG1 THR 114 1HG THR 114 -2.781 -8.685 4.960 872 HG21 THR 114 1HG2 THR 114 -0.494 -10.042 5.195 873 HG22 THR 114 2HG2 THR 114 -1.078 -11.250 4.050 874 HG23 THR 114 3HG2 THR 114 -0.749 -11.705 5.722 875 H GLU 115 H GLU 115 -5.649 -12.957 4.780 876 HA GLU 115 HA GLU 115 -7.381 -10.934 5.869 877 HB2 GLU 115 1HB GLU 115 -9.200 -12.334 5.097 878 HB3 GLU 115 2HB GLU 115 -7.974 -12.220 3.842 879 HG2 GLU 115 1HG GLU 115 -8.406 -14.447 3.762 880 HG3 GLU 115 2HG GLU 115 -7.106 -14.440 4.951 881 H SER 116 H SER 116 -6.422 -14.224 6.744 882 HA SER 116 HA SER 116 -8.088 -14.899 8.751 883 HB2 SER 116 1HB SER 116 -5.072 -15.139 8.748 884 HB3 SER 116 2HB SER 116 -6.124 -15.969 9.895 885 HG SER 116 HG SER 116 -6.493 -17.405 8.420 886 H GLY 117 H GLY 117 -8.880 -13.848 10.441 887 HA2 GLY 117 1HA GLY 117 -7.112 -11.946 11.853 888 HA3 GLY 117 2HA GLY 117 -8.820 -11.630 11.583 889 HA PRO 118 HA PRO 118 -8.681 -15.238 14.793 890 HB2 PRO 118 1HB PRO 118 -6.237 -15.961 15.729 891 HB3 PRO 118 2HB PRO 118 -6.980 -16.704 14.308 892 HG2 PRO 118 1HG PRO 118 -4.906 -14.551 14.453 893 HG3 PRO 118 2HG PRO 118 -4.983 -15.959 13.379 894 HD2 PRO 118 1HD PRO 118 -5.714 -13.477 12.582 895 HD3 PRO 118 2HD PRO 118 -6.485 -14.947 11.954 896 H SER 119 H SER 119 -5.967 -12.970 15.216 897 HA SER 119 HA SER 119 -6.298 -12.685 18.015 898 HB2 SER 119 1HB SER 119 -4.235 -12.114 16.595 899 HB3 SER 119 2HB SER 119 -5.060 -10.601 16.221 900 HG SER 119 HG SER 119 -4.648 -9.900 18.165 901 H SER 120 H SER 120 -8.419 -12.215 18.516 902 HA SER 120 HA SER 120 -9.857 -10.080 17.268 903 HB2 SER 120 1HB SER 120 -10.724 -12.226 18.543 904 HB3 SER 120 2HB SER 120 -10.646 -11.158 19.945 905 HG SER 120 HG SER 120 -11.837 -9.683 18.293 906 H GLY 121 H GLY 121 -8.958 -8.100 17.504 907 HA2 GLY 121 1HA GLY 121 -9.256 -6.190 19.091 908 HA3 GLY 121 2HA GLY 121 -8.427 -7.197 20.268 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -24.139 -8.956 -7.851 2 HA2 GLY 1 1HA GLY 1 -21.769 -7.799 -6.735 3 HA3 GLY 1 2HA GLY 1 -22.459 -7.443 -8.311 4 H SER 2 H SER 2 -21.314 -5.556 -6.486 5 HA SER 2 HA SER 2 -23.700 -3.938 -5.869 6 HB2 SER 2 1HB SER 2 -22.472 -2.914 -4.032 7 HB3 SER 2 2HB SER 2 -22.472 -4.667 -3.834 8 HG SER 2 HG SER 2 -20.390 -4.409 -3.687 9 H SER 3 H SER 3 -23.903 -2.252 -7.167 10 HA SER 3 HA SER 3 -21.750 -1.367 -8.841 11 HB2 SER 3 1HB SER 3 -24.633 -0.654 -8.510 12 HB3 SER 3 2HB SER 3 -23.576 0.487 -9.343 13 HG SER 3 HG SER 3 -24.305 -0.843 -10.913 14 H GLY 4 H GLY 4 -20.964 0.833 -8.956 15 HA2 GLY 4 1HA GLY 4 -20.459 2.939 -8.057 16 HA3 GLY 4 2HA GLY 4 -21.336 2.502 -6.598 17 H SER 5 H SER 5 -20.274 0.755 -5.257 18 HA SER 5 HA SER 5 -17.884 1.567 -4.241 19 HB2 SER 5 1HB SER 5 -19.288 -1.070 -4.247 20 HB3 SER 5 2HB SER 5 -17.642 -0.999 -3.616 21 HG SER 5 HG SER 5 -19.565 0.868 -2.765 22 H SER 6 H SER 6 -15.747 0.458 -4.254 23 HA SER 6 HA SER 6 -14.991 -1.013 -6.604 24 HB2 SER 6 1HB SER 6 -14.122 1.864 -6.275 25 HB3 SER 6 2HB SER 6 -13.302 0.719 -7.336 26 HG SER 6 HG SER 6 -15.382 0.430 -8.374 27 H GLY 7 H GLY 7 -12.782 -1.740 -6.538 28 HA2 GLY 7 1HA GLY 7 -11.908 -2.562 -4.037 29 HA3 GLY 7 2HA GLY 7 -10.901 -2.516 -5.476 30 H GLU 8 H GLU 8 -11.021 0.325 -5.856 31 HA GLU 8 HA GLU 8 -8.790 1.188 -4.539 32 HB2 GLU 8 1HB GLU 8 -11.145 2.846 -5.456 33 HB3 GLU 8 2HB GLU 8 -9.584 3.511 -4.996 34 HG2 GLU 8 1HG GLU 8 -8.546 2.760 -6.884 35 HG3 GLU 8 2HG GLU 8 -9.654 1.404 -7.087 36 H GLU 9 H GLU 9 -12.156 1.608 -3.496 37 HA GLU 9 HA GLU 9 -11.532 3.059 -1.141 38 HB2 GLU 9 1HB GLU 9 -13.769 3.021 -2.267 39 HB3 GLU 9 2HB GLU 9 -13.988 1.381 -1.674 40 HG2 GLU 9 1HG GLU 9 -14.264 2.051 0.499 41 HG3 GLU 9 2HG GLU 9 -13.352 3.542 0.270 42 H GLN 10 H GLN 10 -12.106 -0.370 -1.795 43 HA GLN 10 HA GLN 10 -12.168 -1.360 0.783 44 HB2 GLN 10 1HB GLN 10 -11.315 -2.474 -1.848 45 HB3 GLN 10 2HB GLN 10 -10.926 -3.389 -0.397 46 HG2 GLN 10 1HG GLN 10 -13.483 -2.955 0.119 47 HG3 GLN 10 2HG GLN 10 -13.556 -2.818 -1.637 48 HE21 GLN 10 1HE2 GLN 10 -13.300 -4.617 -2.886 49 HE22 GLN 10 2HE2 GLN 10 -13.201 -6.217 -2.245 50 H ILE 11 H ILE 11 -9.379 -0.505 -1.200 51 HA ILE 11 HA ILE 11 -7.434 -1.497 0.633 52 HB ILE 11 HB ILE 11 -7.134 0.538 -1.578 53 HG12 ILE 11 1HG1 ILE 11 -7.913 -1.762 -2.243 54 HG13 ILE 11 2HG1 ILE 11 -6.378 -1.274 -2.952 55 HG21 ILE 11 1HG2 ILE 11 -4.693 -0.562 -1.310 56 HG22 ILE 11 2HG2 ILE 11 -5.189 0.925 -0.502 57 HG23 ILE 11 3HG2 ILE 11 -5.239 -0.610 0.366 58 HD11 ILE 11 1HD1 ILE 11 -6.618 -3.006 -0.508 59 HD12 ILE 11 2HD1 ILE 11 -6.453 -3.624 -2.152 60 HD13 ILE 11 3HD1 ILE 11 -5.163 -2.656 -1.440 61 H VAL 12 H VAL 12 -8.562 1.789 -0.155 62 HA VAL 12 HA VAL 12 -7.028 3.258 1.586 63 HB VAL 12 HB VAL 12 -9.912 3.688 0.810 64 HG11 VAL 12 1HG1 VAL 12 -9.976 5.210 2.444 65 HG12 VAL 12 2HG1 VAL 12 -8.235 5.113 2.718 66 HG13 VAL 12 3HG1 VAL 12 -8.872 6.154 1.444 67 HG21 VAL 12 1HG2 VAL 12 -9.077 5.163 -0.849 68 HG22 VAL 12 2HG2 VAL 12 -7.446 5.105 -0.179 69 HG23 VAL 12 3HG2 VAL 12 -8.125 3.683 -0.971 70 H THR 13 H THR 13 -10.301 2.024 2.300 71 HA THR 13 HA THR 13 -10.294 2.717 5.016 72 HB THR 13 HB THR 13 -11.815 0.467 3.683 73 HG1 THR 13 1HG THR 13 -12.208 3.245 3.869 74 HG21 THR 13 1HG2 THR 13 -12.821 1.940 6.066 75 HG22 THR 13 2HG2 THR 13 -11.581 0.710 6.312 76 HG23 THR 13 3HG2 THR 13 -13.116 0.278 5.558 77 H TRP 14 H TRP 14 -9.166 -0.163 3.343 78 HA TRP 14 HA TRP 14 -8.832 -1.859 5.535 79 HB2 TRP 14 1HB TRP 14 -8.646 -2.638 3.223 80 HB3 TRP 14 2HB TRP 14 -7.180 -1.686 3.005 81 HD1 TRP 14 HD TRP 14 -8.010 -4.034 5.973 82 HE1 TRP 14 1HE TRP 14 -6.158 -5.816 6.116 83 HE3 TRP 14 3HE TRP 14 -5.322 -2.747 1.819 84 HZ2 TRP 14 2HZ TRP 14 -3.861 -6.575 4.661 85 HZ3 TRP 14 3HZ TRP 14 -3.310 -4.052 1.265 86 HH2 TRP 14 HH TRP 14 -2.597 -5.925 2.658 87 H LEU 15 H LEU 15 -6.196 -0.105 3.887 88 HA LEU 15 HA LEU 15 -4.189 -0.466 5.677 89 HB2 LEU 15 1HB LEU 15 -4.805 2.122 4.261 90 HB3 LEU 15 2HB LEU 15 -3.243 1.657 4.930 91 HG LEU 15 HG LEU 15 -4.582 0.086 2.743 92 HD11 LEU 15 1HD1 LEU 15 -2.779 1.378 1.346 93 HD12 LEU 15 2HD1 LEU 15 -3.004 2.608 2.590 94 HD13 LEU 15 3HD1 LEU 15 -4.377 2.072 1.620 95 HD21 LEU 15 1HD2 LEU 15 -2.522 -0.945 2.456 96 HD22 LEU 15 2HD2 LEU 15 -2.644 -0.791 4.209 97 HD23 LEU 15 3HD2 LEU 15 -1.649 0.340 3.291 98 H ILE 16 H ILE 16 -6.500 2.248 5.785 99 HA ILE 16 HA ILE 16 -5.589 3.367 8.180 100 HB ILE 16 HB ILE 16 -8.415 3.410 7.114 101 HG12 ILE 16 1HG1 ILE 16 -6.330 5.541 6.704 102 HG13 ILE 16 2HG1 ILE 16 -6.480 4.188 5.588 103 HG21 ILE 16 1HG2 ILE 16 -7.481 5.762 8.527 104 HG22 ILE 16 2HG2 ILE 16 -8.948 4.811 8.761 105 HG23 ILE 16 3HG2 ILE 16 -7.444 4.319 9.540 106 HD11 ILE 16 1HD1 ILE 16 -8.677 4.835 4.976 107 HD12 ILE 16 2HD1 ILE 16 -8.754 6.026 6.275 108 HD13 ILE 16 3HD1 ILE 16 -7.666 6.278 4.910 109 H SER 17 H SER 17 -8.083 0.922 7.582 110 HA SER 17 HA SER 17 -9.108 0.673 10.145 111 HB2 SER 17 1HB SER 17 -9.961 -0.458 8.055 112 HB3 SER 17 2HB SER 17 -8.664 -1.638 8.246 113 HG SER 17 HG SER 17 -10.682 -2.288 9.195 114 H LEU 18 H LEU 18 -6.333 -1.003 8.695 115 HA LEU 18 HA LEU 18 -5.696 -2.603 10.910 116 HB2 LEU 18 1HB LEU 18 -4.055 -1.536 8.631 117 HB3 LEU 18 2HB LEU 18 -3.364 -2.578 9.874 118 HG LEU 18 HG LEU 18 -5.725 -3.407 8.203 119 HD11 LEU 18 1HD1 LEU 18 -3.918 -2.909 6.673 120 HD12 LEU 18 2HD1 LEU 18 -4.126 -4.654 6.812 121 HD13 LEU 18 3HD1 LEU 18 -2.795 -3.856 7.650 122 HD21 LEU 18 1HD2 LEU 18 -4.803 -4.494 10.471 123 HD22 LEU 18 2HD2 LEU 18 -3.754 -5.311 9.312 124 HD23 LEU 18 3HD2 LEU 18 -5.507 -5.444 9.163 125 H GLY 19 H GLY 19 -4.775 0.691 10.057 126 HA2 GLY 19 1HA GLY 19 -4.393 2.287 11.833 127 HA3 GLY 19 2HA GLY 19 -3.683 0.988 12.780 128 H VAL 20 H VAL 20 -3.042 1.724 9.386 129 HA VAL 20 HA VAL 20 -0.255 2.326 10.137 130 HB VAL 20 HB VAL 20 0.295 1.583 7.777 131 HG11 VAL 20 1HG1 VAL 20 0.751 -0.531 8.507 132 HG12 VAL 20 2HG1 VAL 20 0.362 0.231 10.051 133 HG13 VAL 20 3HG1 VAL 20 -0.846 -0.750 9.220 134 HG21 VAL 20 1HG2 VAL 20 -2.389 0.226 7.907 135 HG22 VAL 20 2HG2 VAL 20 -2.110 1.726 7.021 136 HG23 VAL 20 3HG2 VAL 20 -1.250 0.257 6.561 137 H LEU 21 H LEU 21 -3.025 3.283 8.248 138 HA LEU 21 HA LEU 21 -1.576 5.714 7.426 139 HB2 LEU 21 1HB LEU 21 -2.061 4.506 5.456 140 HB3 LEU 21 2HB LEU 21 -3.694 4.130 6.001 141 HG LEU 21 HG LEU 21 -4.202 6.594 5.794 142 HD11 LEU 21 1HD1 LEU 21 -1.935 7.446 5.829 143 HD12 LEU 21 2HD1 LEU 21 -2.730 7.895 4.320 144 HD13 LEU 21 3HD1 LEU 21 -1.560 6.575 4.342 145 HD21 LEU 21 1HD2 LEU 21 -4.704 4.736 4.100 146 HD22 LEU 21 2HD2 LEU 21 -3.362 5.404 3.171 147 HD23 LEU 21 3HD2 LEU 21 -4.767 6.406 3.536 148 H GLU 22 H GLU 22 -2.246 7.456 8.473 149 HA GLU 22 HA GLU 22 -4.447 7.575 10.172 150 HB2 GLU 22 1HB GLU 22 -2.778 9.700 8.853 151 HB3 GLU 22 2HB GLU 22 -4.135 10.125 9.886 152 HG2 GLU 22 1HG GLU 22 -3.128 9.232 11.786 153 HG3 GLU 22 2HG GLU 22 -1.980 8.283 10.843 154 H SER 23 H SER 23 -6.557 7.871 9.868 155 HA SER 23 HA SER 23 -7.664 7.958 7.259 156 HB2 SER 23 1HB SER 23 -8.641 7.043 9.536 157 HB3 SER 23 2HB SER 23 -9.299 8.674 9.661 158 HG SER 23 HG SER 23 -9.878 6.649 7.819 159 HA PRO 24 HA PRO 24 -7.688 12.307 6.524 160 HB2 PRO 24 1HB PRO 24 -9.559 12.355 4.558 161 HB3 PRO 24 2HB PRO 24 -7.912 11.767 4.302 162 HG2 PRO 24 1HG PRO 24 -10.423 10.214 4.797 163 HG3 PRO 24 2HG PRO 24 -9.119 9.894 3.638 164 HD2 PRO 24 1HD PRO 24 -9.322 8.585 6.000 165 HD3 PRO 24 2HD PRO 24 -7.759 8.943 5.238 166 H LYS 25 H LYS 25 -10.395 10.519 7.641 167 HA LYS 25 HA LYS 25 -12.255 11.086 8.820 168 HB2 LYS 25 1HB LYS 25 -10.673 13.635 9.129 169 HB3 LYS 25 2HB LYS 25 -12.236 13.394 9.898 170 HG2 LYS 25 1HG LYS 25 -11.216 11.293 10.923 171 HG3 LYS 25 2HG LYS 25 -9.660 11.945 10.404 172 HD2 LYS 25 1HD LYS 25 -10.283 14.062 11.642 173 HD3 LYS 25 2HD LYS 25 -11.629 13.155 12.335 174 HE2 LYS 25 1HE LYS 25 -9.965 12.939 13.941 175 HE3 LYS 25 2HE LYS 25 -9.829 11.441 13.021 176 HZ1 LYS 25 1HZ LYS 25 -8.163 13.837 12.493 177 HZ2 LYS 25 2HZ LYS 25 -7.953 12.280 11.866 178 HZ3 LYS 25 3HZ LYS 25 -7.681 12.574 13.510 179 H LYS 26 H LYS 26 -12.421 11.266 6.046 180 HA LYS 26 HA LYS 26 -14.687 13.025 5.789 181 HB2 LYS 26 1HB LYS 26 -13.899 14.453 4.108 182 HB3 LYS 26 2HB LYS 26 -12.583 14.411 5.273 183 HG2 LYS 26 1HG LYS 26 -11.390 12.803 3.890 184 HG3 LYS 26 2HG LYS 26 -12.720 12.802 2.730 185 HD2 LYS 26 1HD LYS 26 -11.485 15.411 3.446 186 HD3 LYS 26 2HD LYS 26 -10.577 14.321 2.395 187 HE2 LYS 26 1HE LYS 26 -12.163 14.416 0.712 188 HE3 LYS 26 2HE LYS 26 -13.449 14.909 1.811 189 HZ1 LYS 26 1HZ LYS 26 -11.172 16.713 1.410 190 HZ2 LYS 26 2HZ LYS 26 -12.784 17.079 1.765 191 HZ3 LYS 26 3HZ LYS 26 -12.348 16.616 0.198 192 H THR 27 H THR 27 -15.682 12.814 3.569 193 HA THR 27 HA THR 27 -15.587 10.008 2.798 194 HB THR 27 HB THR 27 -17.459 11.916 1.481 195 HG1 THR 27 1HG THR 27 -17.883 10.944 4.126 196 HG21 THR 27 1HG2 THR 27 -17.665 9.098 2.543 197 HG22 THR 27 2HG2 THR 27 -17.582 9.599 0.854 198 HG23 THR 27 3HG2 THR 27 -19.006 9.984 1.819 199 H ILE 28 H ILE 28 -14.117 9.480 1.313 200 HA ILE 28 HA ILE 28 -13.384 11.385 -0.769 201 HB ILE 28 HB ILE 28 -12.241 8.678 -0.075 202 HG12 ILE 28 1HG1 ILE 28 -10.922 11.378 0.179 203 HG13 ILE 28 2HG1 ILE 28 -11.873 10.678 1.484 204 HG21 ILE 28 1HG2 ILE 28 -11.496 8.685 -2.184 205 HG22 ILE 28 2HG2 ILE 28 -11.909 10.383 -2.420 206 HG23 ILE 28 3HG2 ILE 28 -10.388 9.945 -1.642 207 HD11 ILE 28 1HD1 ILE 28 -9.441 10.315 1.711 208 HD12 ILE 28 2HD1 ILE 28 -10.371 8.818 1.650 209 HD13 ILE 28 3HD1 ILE 28 -9.479 9.360 0.229 210 H CYS 29 H CYS 29 -14.664 11.426 -2.498 211 HA CYS 29 HA CYS 29 -16.170 9.124 -3.341 212 HB2 CYS 29 1HB CYS 29 -15.844 11.879 -4.540 213 HB3 CYS 29 2HB CYS 29 -16.908 10.643 -5.199 214 HG CYS 29 HG CYS 29 -17.236 12.379 -2.290 215 H ASP 30 H ASP 30 -13.087 10.418 -4.012 216 HA ASP 30 HA ASP 30 -12.799 8.556 -6.274 217 HB2 ASP 30 1HB ASP 30 -12.065 11.435 -6.092 218 HB3 ASP 30 2HB ASP 30 -10.953 10.368 -6.946 219 HA PRO 31 HA PRO 31 -9.736 7.496 -2.993 220 HB2 PRO 31 1HB PRO 31 -9.976 4.814 -3.335 221 HB3 PRO 31 2HB PRO 31 -11.055 5.750 -2.293 222 HG2 PRO 31 1HG PRO 31 -11.492 4.786 -5.093 223 HG3 PRO 31 2HG PRO 31 -12.613 4.777 -3.719 224 HD2 PRO 31 1HD PRO 31 -12.719 6.648 -5.673 225 HD3 PRO 31 2HD PRO 31 -13.161 6.999 -3.989 226 H GLU 32 H GLU 32 -10.090 6.813 -6.358 227 HA GLU 32 HA GLU 32 -7.840 5.305 -6.929 228 HB2 GLU 32 1HB GLU 32 -9.463 5.780 -8.641 229 HB3 GLU 32 2HB GLU 32 -9.148 7.506 -8.530 230 HG2 GLU 32 1HG GLU 32 -6.759 6.926 -9.233 231 HG3 GLU 32 2HG GLU 32 -7.418 5.358 -9.696 232 H GLU 33 H GLU 33 -8.071 8.865 -7.071 233 HA GLU 33 HA GLU 33 -5.290 9.257 -7.400 234 HB2 GLU 33 1HB GLU 33 -7.620 11.005 -6.752 235 HB3 GLU 33 2HB GLU 33 -6.002 11.637 -6.477 236 HG2 GLU 33 1HG GLU 33 -7.056 10.581 -9.091 237 HG3 GLU 33 2HG GLU 33 -6.866 12.280 -8.661 238 H PHE 34 H PHE 34 -7.358 9.909 -4.565 239 HA PHE 34 HA PHE 34 -5.572 10.650 -2.699 240 HB2 PHE 34 1HB PHE 34 -7.857 10.449 -2.063 241 HB3 PHE 34 2HB PHE 34 -7.873 8.722 -2.405 242 HD1 PHE 34 2HD PHE 34 -6.768 11.311 -0.052 243 HD2 PHE 34 1HD PHE 34 -7.053 7.134 -0.818 244 HE1 PHE 34 2HE PHE 34 -6.227 10.846 2.302 245 HE2 PHE 34 1HE PHE 34 -6.513 6.662 1.536 246 HZ PHE 34 HZ PHE 34 -6.099 8.519 3.099 247 H LEU 35 H LEU 35 -6.115 7.313 -3.750 248 HA LEU 35 HA LEU 35 -4.294 6.122 -1.944 249 HB2 LEU 35 1HB LEU 35 -5.527 5.253 -4.534 250 HB3 LEU 35 2HB LEU 35 -4.320 4.257 -3.723 251 HG LEU 35 HG LEU 35 -6.783 5.146 -2.268 252 HD11 LEU 35 1HD1 LEU 35 -6.626 3.268 -4.511 253 HD12 LEU 35 2HD1 LEU 35 -8.020 4.084 -3.804 254 HD13 LEU 35 3HD1 LEU 35 -7.386 2.617 -3.058 255 HD21 LEU 35 1HD2 LEU 35 -4.551 3.792 -1.481 256 HD22 LEU 35 2HD2 LEU 35 -5.654 2.473 -1.878 257 HD23 LEU 35 3HD2 LEU 35 -6.126 3.693 -0.694 258 H LYS 36 H LYS 36 -3.934 6.487 -5.476 259 HA LYS 36 HA LYS 36 -1.300 5.865 -5.749 260 HB2 LYS 36 1HB LYS 36 -2.759 8.096 -7.178 261 HB3 LYS 36 2HB LYS 36 -1.256 7.359 -7.717 262 HG2 LYS 36 1HG LYS 36 -2.281 5.423 -8.384 263 HG3 LYS 36 2HG LYS 36 -3.620 5.612 -7.250 264 HD2 LYS 36 1HD LYS 36 -4.688 6.130 -9.205 265 HD3 LYS 36 2HD LYS 36 -4.119 7.736 -8.741 266 HE2 LYS 36 1HE LYS 36 -2.179 7.477 -10.195 267 HE3 LYS 36 2HE LYS 36 -2.712 5.856 -10.637 268 HZ1 LYS 36 1HZ LYS 36 -3.346 8.172 -11.934 269 HZ2 LYS 36 2HZ LYS 36 -4.748 7.817 -11.057 270 HZ3 LYS 36 3HZ LYS 36 -4.113 6.677 -12.134 271 H SER 37 H SER 37 -2.638 8.754 -4.349 272 HA SER 37 HA SER 37 -0.173 10.232 -4.387 273 HB2 SER 37 1HB SER 37 -2.289 11.437 -4.409 274 HB3 SER 37 2HB SER 37 -2.754 10.702 -2.875 275 HG SER 37 HG SER 37 -1.252 12.889 -3.320 276 H SER 38 H SER 38 -1.880 8.171 -2.120 277 HA SER 38 HA SER 38 -0.124 8.777 0.080 278 HB2 SER 38 1HB SER 38 -2.613 7.939 0.121 279 HB3 SER 38 2HB SER 38 -1.873 6.343 0.011 280 HG SER 38 HG SER 38 -2.274 7.509 2.188 281 H LEU 39 H LEU 39 -0.748 5.820 -1.819 282 HA LEU 39 HA LEU 39 1.326 4.280 -0.817 283 HB2 LEU 39 1HB LEU 39 0.356 4.231 -3.667 284 HB3 LEU 39 2HB LEU 39 1.102 2.910 -2.769 285 HG LEU 39 HG LEU 39 -1.547 4.096 -1.978 286 HD11 LEU 39 1HD1 LEU 39 -2.107 3.361 -4.086 287 HD12 LEU 39 2HD1 LEU 39 -2.383 1.910 -3.124 288 HD13 LEU 39 3HD1 LEU 39 -0.906 2.070 -4.075 289 HD21 LEU 39 1HD2 LEU 39 -0.360 2.772 -0.296 290 HD22 LEU 39 2HD2 LEU 39 -0.250 1.427 -1.432 291 HD23 LEU 39 3HD2 LEU 39 -1.826 1.959 -0.844 292 H LYS 40 H LYS 40 1.406 6.897 -3.092 293 HA LYS 40 HA LYS 40 3.723 6.474 -4.499 294 HB2 LYS 40 1HB LYS 40 2.383 8.401 -4.964 295 HB3 LYS 40 2HB LYS 40 2.614 9.030 -3.338 296 HG2 LYS 40 1HG LYS 40 5.097 9.145 -3.931 297 HG3 LYS 40 2HG LYS 40 4.575 8.925 -5.603 298 HD2 LYS 40 1HD LYS 40 2.941 10.887 -5.042 299 HD3 LYS 40 2HD LYS 40 4.091 11.216 -3.744 300 HE2 LYS 40 1HE LYS 40 5.886 11.114 -5.567 301 HE3 LYS 40 2HE LYS 40 4.552 11.235 -6.712 302 HZ1 LYS 40 1HZ LYS 40 5.414 13.409 -6.279 303 HZ2 LYS 40 2HZ LYS 40 5.264 13.203 -4.607 304 HZ3 LYS 40 3HZ LYS 40 3.880 13.301 -5.574 305 H ASN 41 H ASN 41 3.608 8.429 -1.515 306 HA ASN 41 HA ASN 41 6.209 8.817 -0.993 307 HB2 ASN 41 1HB ASN 41 3.960 8.121 0.873 308 HB3 ASN 41 2HB ASN 41 5.582 8.396 1.500 309 HD21 ASN 41 1HD2 ASN 41 5.164 10.257 2.580 310 HD22 ASN 41 2HD2 ASN 41 4.718 11.737 1.807 311 H GLY 42 H GLY 42 4.469 5.805 -0.265 312 HA2 GLY 42 1HA GLY 42 5.442 3.655 -0.509 313 HA3 GLY 42 2HA GLY 42 7.033 4.388 -0.367 314 H VAL 43 H VAL 43 6.028 5.969 2.001 315 HA VAL 43 HA VAL 43 6.955 4.235 4.017 316 HB VAL 43 HB VAL 43 7.173 6.605 4.323 317 HG11 VAL 43 1HG1 VAL 43 4.444 6.638 3.443 318 HG12 VAL 43 2HG1 VAL 43 4.595 7.507 4.972 319 HG13 VAL 43 3HG1 VAL 43 5.585 7.974 3.589 320 HG21 VAL 43 1HG2 VAL 43 5.260 5.352 6.284 321 HG22 VAL 43 2HG2 VAL 43 7.021 5.393 6.374 322 HG23 VAL 43 3HG2 VAL 43 6.093 6.880 6.567 323 H VAL 44 H VAL 44 3.754 4.957 2.816 324 HA VAL 44 HA VAL 44 2.286 3.865 4.982 325 HB VAL 44 HB VAL 44 1.572 4.384 2.103 326 HG11 VAL 44 1HG1 VAL 44 0.218 2.525 2.662 327 HG12 VAL 44 2HG1 VAL 44 -0.118 3.162 4.273 328 HG13 VAL 44 3HG1 VAL 44 -0.801 3.951 2.851 329 HG21 VAL 44 1HG2 VAL 44 0.871 5.694 4.722 330 HG22 VAL 44 2HG2 VAL 44 1.790 6.380 3.382 331 HG23 VAL 44 3HG2 VAL 44 0.064 6.069 3.200 332 H LEU 45 H LEU 45 3.415 2.514 1.905 333 HA LEU 45 HA LEU 45 2.198 -0.019 2.220 334 HB2 LEU 45 1HB LEU 45 4.566 0.884 0.595 335 HB3 LEU 45 2HB LEU 45 3.891 -0.742 0.510 336 HG LEU 45 HG LEU 45 2.083 1.571 0.006 337 HD11 LEU 45 1HD1 LEU 45 2.865 1.086 -2.492 338 HD12 LEU 45 2HD1 LEU 45 4.397 0.794 -1.669 339 HD13 LEU 45 3HD1 LEU 45 3.588 2.352 -1.498 340 HD21 LEU 45 1HD2 LEU 45 2.064 -1.282 -0.293 341 HD22 LEU 45 2HD2 LEU 45 1.788 -0.509 -1.854 342 HD23 LEU 45 3HD2 LEU 45 0.743 -0.129 -0.485 343 H CYS 46 H CYS 46 5.367 1.255 3.107 344 HA CYS 46 HA CYS 46 6.543 -1.176 3.888 345 HB2 CYS 46 1HB CYS 46 7.062 1.706 4.524 346 HB3 CYS 46 2HB CYS 46 7.916 0.455 5.420 347 HG CYS 46 HG CYS 46 8.102 1.117 2.077 348 H LYS 47 H LYS 47 4.719 1.242 5.732 349 HA LYS 47 HA LYS 47 4.972 -0.012 8.246 350 HB2 LYS 47 1HB LYS 47 3.015 1.970 7.109 351 HB3 LYS 47 2HB LYS 47 2.827 1.339 8.740 352 HG2 LYS 47 1HG LYS 47 5.008 2.208 9.354 353 HG3 LYS 47 2HG LYS 47 5.253 2.795 7.707 354 HD2 LYS 47 1HD LYS 47 3.350 4.297 7.944 355 HD3 LYS 47 2HD LYS 47 3.054 3.686 9.573 356 HE2 LYS 47 1HE LYS 47 5.586 4.399 9.894 357 HE3 LYS 47 2HE LYS 47 5.189 5.495 8.572 358 HZ1 LYS 47 1HZ LYS 47 3.814 6.705 9.866 359 HZ2 LYS 47 2HZ LYS 47 4.788 6.103 11.111 360 HZ3 LYS 47 3HZ LYS 47 3.296 5.379 10.781 361 H LEU 48 H LEU 48 2.973 -0.668 5.512 362 HA LEU 48 HA LEU 48 0.927 -2.102 6.893 363 HB2 LEU 48 1HB LEU 48 0.390 -1.215 4.765 364 HB3 LEU 48 2HB LEU 48 1.787 -1.985 4.014 365 HG LEU 48 HG LEU 48 0.678 -4.197 4.463 366 HD11 LEU 48 1HD1 LEU 48 -1.769 -2.515 4.958 367 HD12 LEU 48 2HD1 LEU 48 -0.844 -3.308 6.233 368 HD13 LEU 48 3HD1 LEU 48 -1.644 -4.274 4.993 369 HD21 LEU 48 1HD2 LEU 48 0.330 -2.366 2.403 370 HD22 LEU 48 2HD2 LEU 48 -1.298 -2.940 2.767 371 HD23 LEU 48 3HD2 LEU 48 -0.027 -4.093 2.356 372 H ILE 49 H ILE 49 3.240 -3.394 4.512 373 HA ILE 49 HA ILE 49 3.069 -6.031 4.953 374 HB ILE 49 HB ILE 49 4.675 -4.964 3.383 375 HG12 ILE 49 1HG1 ILE 49 6.558 -6.674 3.850 376 HG13 ILE 49 2HG1 ILE 49 5.568 -7.178 5.216 377 HG21 ILE 49 1HG2 ILE 49 6.253 -4.540 5.910 378 HG22 ILE 49 2HG2 ILE 49 6.973 -4.496 4.301 379 HG23 ILE 49 3HG2 ILE 49 5.726 -3.329 4.741 380 HD11 ILE 49 1HD1 ILE 49 4.079 -8.227 3.909 381 HD12 ILE 49 2HD1 ILE 49 4.167 -7.004 2.642 382 HD13 ILE 49 3HD1 ILE 49 5.412 -8.248 2.755 383 H ASN 50 H ASN 50 4.622 -3.730 7.105 384 HA ASN 50 HA ASN 50 5.861 -5.603 8.818 385 HB2 ASN 50 1HB ASN 50 5.111 -2.716 9.019 386 HB3 ASN 50 2HB ASN 50 5.570 -3.572 10.488 387 HD21 ASN 50 1HD2 ASN 50 6.861 -1.410 8.874 388 HD22 ASN 50 2HD2 ASN 50 8.466 -1.980 8.585 389 H ARG 51 H ARG 51 2.772 -3.853 9.096 390 HA ARG 51 HA ARG 51 1.955 -5.028 11.511 391 HB2 ARG 51 1HB ARG 51 0.902 -3.013 10.646 392 HB3 ARG 51 2HB ARG 51 0.301 -3.896 9.249 393 HG2 ARG 51 1HG ARG 51 -1.563 -3.811 10.584 394 HG3 ARG 51 2HG ARG 51 -0.881 -5.376 11.032 395 HD2 ARG 51 1HD ARG 51 0.376 -3.937 12.840 396 HD3 ARG 51 2HD ARG 51 -0.962 -2.823 12.566 397 HE ARG 51 HE ARG 51 -2.368 -4.290 13.634 398 HH11 ARG 51 1HH1 ARG 51 0.648 -5.876 12.925 399 HH12 ARG 51 2HH1 ARG 51 0.282 -7.281 13.871 400 HH21 ARG 51 1HH2 ARG 51 -2.862 -6.134 14.882 401 HH22 ARG 51 2HH2 ARG 51 -1.716 -7.427 14.983 402 H LEU 52 H LEU 52 1.768 -6.123 8.202 403 HA LEU 52 HA LEU 52 -0.098 -8.238 8.725 404 HB2 LEU 52 1HB LEU 52 1.781 -8.087 6.389 405 HB3 LEU 52 2HB LEU 52 0.206 -8.872 6.476 406 HG LEU 52 HG LEU 52 0.651 -5.888 6.532 407 HD11 LEU 52 1HD1 LEU 52 -0.103 -7.758 4.299 408 HD12 LEU 52 2HD1 LEU 52 1.257 -6.638 4.368 409 HD13 LEU 52 3HD1 LEU 52 -0.389 -6.018 4.245 410 HD21 LEU 52 1HD2 LEU 52 -1.917 -6.271 5.803 411 HD22 LEU 52 2HD2 LEU 52 -1.397 -5.995 7.466 412 HD23 LEU 52 3HD2 LEU 52 -1.690 -7.638 6.893 413 H MET 53 H MET 53 3.413 -7.996 8.344 414 HA MET 53 HA MET 53 3.645 -10.649 9.590 415 HB2 MET 53 1HB MET 53 5.306 -9.616 7.285 416 HB3 MET 53 2HB MET 53 5.590 -11.124 8.143 417 HG2 MET 53 1HG MET 53 3.056 -10.486 6.655 418 HG3 MET 53 2HG MET 53 4.417 -11.367 5.965 419 HE1 MET 53 1HE MET 53 4.054 -14.609 6.445 420 HE2 MET 53 2HE MET 53 2.448 -14.149 5.879 421 HE3 MET 53 3HE MET 53 3.865 -13.243 5.345 422 HA PRO 54 HA PRO 54 6.243 -8.478 12.428 423 HB2 PRO 54 1HB PRO 54 7.356 -10.641 13.632 424 HB3 PRO 54 2HB PRO 54 5.694 -10.121 13.937 425 HG2 PRO 54 1HG PRO 54 6.700 -12.292 12.137 426 HG3 PRO 54 2HG PRO 54 5.313 -12.308 13.243 427 HD2 PRO 54 1HD PRO 54 5.044 -11.932 10.575 428 HD3 PRO 54 2HD PRO 54 3.957 -11.179 11.760 429 H GLY 55 H GLY 55 7.894 -7.438 11.425 430 HA2 GLY 55 1HA GLY 55 10.192 -7.167 11.052 431 HA3 GLY 55 2HA GLY 55 10.381 -8.914 11.091 432 H SER 56 H SER 56 8.511 -6.612 9.107 433 HA SER 56 HA SER 56 9.198 -8.157 6.733 434 HB2 SER 56 1HB SER 56 7.362 -5.768 7.041 435 HB3 SER 56 2HB SER 56 7.540 -6.752 5.588 436 HG SER 56 HG SER 56 6.324 -7.383 8.035 437 H VAL 57 H VAL 57 9.298 -4.742 7.752 438 HA VAL 57 HA VAL 57 11.415 -4.286 5.761 439 HB VAL 57 HB VAL 57 9.709 -2.231 7.173 440 HG11 VAL 57 1HG1 VAL 57 12.146 -1.830 6.088 441 HG12 VAL 57 2HG1 VAL 57 11.123 -1.580 4.672 442 HG13 VAL 57 3HG1 VAL 57 10.874 -0.610 6.125 443 HG21 VAL 57 1HG2 VAL 57 8.763 -3.930 5.335 444 HG22 VAL 57 2HG2 VAL 57 8.229 -2.253 5.455 445 HG23 VAL 57 3HG2 VAL 57 9.449 -2.707 4.265 446 H GLU 58 H GLU 58 13.403 -3.617 6.365 447 HA GLU 58 HA GLU 58 14.154 -3.872 9.109 448 HB2 GLU 58 1HB GLU 58 15.752 -2.877 6.743 449 HB3 GLU 58 2HB GLU 58 16.414 -3.296 8.316 450 HG2 GLU 58 1HG GLU 58 14.919 -5.248 6.592 451 HG3 GLU 58 2HG GLU 58 16.666 -5.029 6.518 452 H LYS 59 H LYS 59 14.352 -1.134 6.830 453 HA LYS 59 HA LYS 59 13.548 0.715 8.893 454 HB2 LYS 59 1HB LYS 59 15.541 2.078 8.866 455 HB3 LYS 59 2HB LYS 59 15.979 0.435 9.317 456 HG2 LYS 59 1HG LYS 59 16.514 0.135 6.809 457 HG3 LYS 59 2HG LYS 59 16.523 1.900 6.769 458 HD2 LYS 59 1HD LYS 59 18.148 0.296 8.732 459 HD3 LYS 59 2HD LYS 59 18.761 0.786 7.151 460 HE2 LYS 59 1HE LYS 59 18.010 3.162 7.896 461 HE3 LYS 59 2HE LYS 59 18.050 2.472 9.518 462 HZ1 LYS 59 1HZ LYS 59 20.153 3.431 9.131 463 HZ2 LYS 59 2HZ LYS 59 20.295 2.723 7.601 464 HZ3 LYS 59 3HZ LYS 59 20.380 1.760 8.989 465 H PHE 60 H PHE 60 12.141 1.977 7.887 466 HA PHE 60 HA PHE 60 12.705 2.773 5.106 467 HB2 PHE 60 1HB PHE 60 10.253 2.938 4.791 468 HB3 PHE 60 2HB PHE 60 10.770 1.304 5.194 469 HD1 PHE 60 2HD PHE 60 10.613 0.628 7.682 470 HD2 PHE 60 1HD PHE 60 8.548 3.939 5.984 471 HE1 PHE 60 2HE PHE 60 9.013 0.584 9.550 472 HE2 PHE 60 1HE PHE 60 6.945 3.901 7.850 473 HZ PHE 60 HZ PHE 60 7.175 2.221 9.635 474 H CYS 61 H CYS 61 11.488 4.841 4.504 475 HA CYS 61 HA CYS 61 12.132 6.837 6.525 476 HB2 CYS 61 1HB CYS 61 12.712 6.853 3.938 477 HB3 CYS 61 2HB CYS 61 11.111 7.572 3.817 478 HG CYS 61 HG CYS 61 12.553 9.800 3.814 479 H LEU 62 H LEU 62 10.674 8.006 7.621 480 HA LEU 62 HA LEU 62 7.879 7.313 7.356 481 HB2 LEU 62 1HB LEU 62 9.435 9.012 9.281 482 HB3 LEU 62 2HB LEU 62 7.674 8.956 9.302 483 HG LEU 62 HG LEU 62 9.622 6.761 9.952 484 HD11 LEU 62 1HD1 LEU 62 7.318 7.218 11.667 485 HD12 LEU 62 2HD1 LEU 62 8.353 8.637 11.511 486 HD13 LEU 62 3HD1 LEU 62 9.031 7.108 12.072 487 HD21 LEU 62 1HD2 LEU 62 7.289 5.541 10.326 488 HD22 LEU 62 2HD2 LEU 62 8.170 5.444 8.801 489 HD23 LEU 62 3HD2 LEU 62 6.829 6.577 8.975 490 H ASP 63 H ASP 63 9.887 10.214 7.024 491 HA ASP 63 HA ASP 63 7.709 11.434 5.465 492 HB2 ASP 63 1HB ASP 63 9.271 12.573 7.738 493 HB3 ASP 63 2HB ASP 63 8.820 13.650 6.419 494 HA PRO 64 HA PRO 64 11.526 11.248 2.891 495 HB2 PRO 64 1HB PRO 64 10.201 10.686 0.589 496 HB3 PRO 64 2HB PRO 64 10.686 9.441 1.747 497 HG2 PRO 64 1HG PRO 64 8.019 10.749 1.378 498 HG3 PRO 64 2HG PRO 64 8.397 9.039 1.654 499 HD2 PRO 64 1HD PRO 64 7.535 10.678 3.630 500 HD3 PRO 64 2HD PRO 64 8.656 9.334 3.925 501 H GLN 65 H GLN 65 12.204 13.285 2.581 502 HA GLN 65 HA GLN 65 10.403 15.309 1.538 503 HB2 GLN 65 1HB GLN 65 12.175 15.604 3.416 504 HB3 GLN 65 2HB GLN 65 13.321 15.742 2.089 505 HG2 GLN 65 1HG GLN 65 12.652 17.933 2.779 506 HG3 GLN 65 2HG GLN 65 11.991 17.608 1.178 507 HE21 GLN 65 1HE2 GLN 65 10.586 19.425 1.804 508 HE22 GLN 65 2HE2 GLN 65 9.143 19.076 2.687 509 H THR 66 H THR 66 13.015 13.299 0.453 510 HA THR 66 HA THR 66 12.961 14.665 -2.159 511 HB THR 66 HB THR 66 15.218 13.733 -2.560 512 HG1 THR 66 1HG THR 66 15.313 11.987 -1.197 513 HG21 THR 66 1HG2 THR 66 14.997 16.003 -1.687 514 HG22 THR 66 2HG2 THR 66 16.432 15.218 -1.024 515 HG23 THR 66 3HG2 THR 66 14.979 15.378 -0.038 516 H GLU 67 H GLU 67 13.663 13.110 -3.978 517 HA GLU 67 HA GLU 67 11.730 11.072 -4.178 518 HB2 GLU 67 1HB GLU 67 12.508 12.131 -6.177 519 HB3 GLU 67 2HB GLU 67 14.175 11.693 -5.832 520 HG2 GLU 67 1HG GLU 67 13.267 9.255 -5.956 521 HG3 GLU 67 2HG GLU 67 11.945 10.001 -6.853 522 H ALA 68 H ALA 68 15.285 10.802 -4.016 523 HA ALA 68 HA ALA 68 15.631 8.119 -3.932 524 HB1 ALA 68 1HB ALA 68 17.634 8.472 -2.624 525 HB2 ALA 68 2HB ALA 68 17.452 9.776 -3.798 526 HB3 ALA 68 3HB ALA 68 17.049 10.053 -2.104 527 H ASP 69 H ASP 69 14.451 10.142 -1.302 528 HA ASP 69 HA ASP 69 14.494 8.119 0.690 529 HB2 ASP 69 1HB ASP 69 13.069 10.761 0.448 530 HB3 ASP 69 2HB ASP 69 12.808 9.695 1.826 531 H CYS 70 H CYS 70 12.075 9.218 -1.623 532 HA CYS 70 HA CYS 70 9.942 7.656 -0.575 533 HB2 CYS 70 1HB CYS 70 9.390 9.553 -1.925 534 HB3 CYS 70 2HB CYS 70 10.377 8.968 -3.259 535 HG CYS 70 HG CYS 70 7.394 7.682 -2.195 536 H ILE 71 H ILE 71 11.806 7.268 -3.595 537 HA ILE 71 HA ILE 71 10.894 4.826 -4.402 538 HB ILE 71 HB ILE 71 13.760 5.771 -4.542 539 HG12 ILE 71 1HG1 ILE 71 11.974 7.282 -5.515 540 HG13 ILE 71 2HG1 ILE 71 13.210 6.744 -6.647 541 HG21 ILE 71 1HG2 ILE 71 14.171 3.743 -5.367 542 HG22 ILE 71 2HG2 ILE 71 12.456 3.346 -5.451 543 HG23 ILE 71 3HG2 ILE 71 13.221 4.229 -6.771 544 HD11 ILE 71 1HD1 ILE 71 10.478 6.601 -6.995 545 HD12 ILE 71 2HD1 ILE 71 11.705 5.769 -7.951 546 HD13 ILE 71 3HD1 ILE 71 10.942 4.949 -6.589 547 H ASN 72 H ASN 72 13.229 5.497 -1.861 548 HA ASN 72 HA ASN 72 14.164 2.882 -1.457 549 HB2 ASN 72 1HB ASN 72 14.042 5.355 0.222 550 HB3 ASN 72 2HB ASN 72 14.483 3.830 0.984 551 HD21 ASN 72 1HD2 ASN 72 16.186 6.027 0.825 552 HD22 ASN 72 2HD2 ASN 72 17.525 5.615 -0.186 553 H ASN 73 H ASN 73 11.347 4.585 -0.200 554 HA ASN 73 HA ASN 73 10.585 2.614 1.684 555 HB2 ASN 73 1HB ASN 73 8.911 4.704 0.272 556 HB3 ASN 73 2HB ASN 73 8.389 3.763 1.667 557 HD21 ASN 73 1HD2 ASN 73 8.197 6.306 2.060 558 HD22 ASN 73 2HD2 ASN 73 9.485 6.942 3.021 559 H ILE 74 H ILE 74 9.346 3.343 -1.578 560 HA ILE 74 HA ILE 74 7.488 1.311 -1.795 561 HB ILE 74 HB ILE 74 9.257 2.356 -4.009 562 HG12 ILE 74 1HG1 ILE 74 6.458 3.283 -3.485 563 HG13 ILE 74 2HG1 ILE 74 7.779 3.958 -2.538 564 HG21 ILE 74 1HG2 ILE 74 7.087 0.422 -3.942 565 HG22 ILE 74 2HG2 ILE 74 6.790 1.745 -5.069 566 HG23 ILE 74 3HG2 ILE 74 8.253 0.772 -5.218 567 HD11 ILE 74 1HD1 ILE 74 8.390 5.288 -4.201 568 HD12 ILE 74 2HD1 ILE 74 8.386 3.960 -5.361 569 HD13 ILE 74 3HD1 ILE 74 6.891 4.826 -5.007 570 H ASN 75 H ASN 75 10.826 1.194 -3.060 571 HA ASN 75 HA ASN 75 10.897 -1.435 -3.847 572 HB2 ASN 75 1HB ASN 75 12.962 0.486 -2.881 573 HB3 ASN 75 2HB ASN 75 13.422 -1.208 -3.029 574 HD21 ASN 75 1HD2 ASN 75 13.468 1.633 -4.583 575 HD22 ASN 75 2HD2 ASN 75 13.467 1.090 -6.223 576 H ASP 76 H ASP 76 11.529 -0.130 -0.613 577 HA ASP 76 HA ASP 76 12.321 -2.478 0.651 578 HB2 ASP 76 1HB ASP 76 11.065 0.070 1.566 579 HB3 ASP 76 2HB ASP 76 11.127 -1.280 2.696 580 H PHE 77 H PHE 77 9.047 -1.075 0.490 581 HA PHE 77 HA PHE 77 7.630 -2.971 1.857 582 HB2 PHE 77 1HB PHE 77 6.399 -1.118 1.129 583 HB3 PHE 77 2HB PHE 77 6.926 -1.304 -0.540 584 HD1 PHE 77 1HD PHE 77 5.087 -3.289 2.034 585 HD2 PHE 77 2HD PHE 77 5.354 -2.043 -2.027 586 HE1 PHE 77 1HE PHE 77 3.019 -4.520 1.523 587 HE2 PHE 77 2HE PHE 77 3.286 -3.271 -2.544 588 HZ PHE 77 HZ PHE 77 2.115 -4.511 -0.768 589 H LEU 78 H LEU 78 8.703 -3.120 -1.508 590 HA LEU 78 HA LEU 78 7.385 -5.498 -2.214 591 HB2 LEU 78 1HB LEU 78 9.997 -4.417 -3.259 592 HB3 LEU 78 2HB LEU 78 8.999 -5.640 -4.041 593 HG LEU 78 HG LEU 78 7.980 -2.863 -3.509 594 HD11 LEU 78 1HD1 LEU 78 10.178 -3.190 -4.987 595 HD12 LEU 78 2HD1 LEU 78 8.925 -2.013 -5.383 596 HD13 LEU 78 3HD1 LEU 78 8.963 -3.572 -6.207 597 HD21 LEU 78 1HD2 LEU 78 6.656 -5.084 -4.261 598 HD22 LEU 78 2HD2 LEU 78 7.143 -4.464 -5.839 599 HD23 LEU 78 3HD2 LEU 78 6.192 -3.454 -4.749 600 H LYS 79 H LYS 79 10.595 -4.916 -0.840 601 HA LYS 79 HA LYS 79 11.739 -7.389 -0.962 602 HB2 LYS 79 1HB LYS 79 11.780 -5.596 1.472 603 HB3 LYS 79 2HB LYS 79 12.970 -6.824 1.061 604 HG2 LYS 79 1HG LYS 79 13.502 -5.532 -0.996 605 HG3 LYS 79 2HG LYS 79 12.419 -4.263 -0.420 606 HD2 LYS 79 1HD LYS 79 14.638 -3.645 0.196 607 HD3 LYS 79 2HD LYS 79 13.805 -4.154 1.667 608 HE2 LYS 79 1HE LYS 79 14.978 -6.164 1.778 609 HE3 LYS 79 2HE LYS 79 15.441 -6.098 0.079 610 HZ1 LYS 79 1HZ LYS 79 17.202 -5.567 1.828 611 HZ2 LYS 79 2HZ LYS 79 16.416 -4.080 2.000 612 HZ3 LYS 79 3HZ LYS 79 17.071 -4.521 0.504 613 H GLY 80 H GLY 80 9.093 -6.371 1.089 614 HA2 GLY 80 1HA GLY 80 9.131 -8.899 2.553 615 HA3 GLY 80 2HA GLY 80 8.084 -7.526 2.878 616 H CYS 81 H CYS 81 7.421 -7.369 -0.050 617 HA CYS 81 HA CYS 81 5.048 -8.879 0.029 618 HB2 CYS 81 1HB CYS 81 6.453 -7.604 -2.327 619 HB3 CYS 81 2HB CYS 81 4.806 -8.225 -2.355 620 HG CYS 81 HG CYS 81 5.746 -5.759 -0.190 621 H ALA 82 H ALA 82 8.223 -9.540 -1.280 622 HA ALA 82 HA ALA 82 7.624 -11.682 -2.966 623 HB1 ALA 82 1HB ALA 82 9.976 -10.508 -1.816 624 HB2 ALA 82 2HB ALA 82 10.095 -12.267 -1.781 625 HB3 ALA 82 3HB ALA 82 9.802 -11.434 -3.307 626 H THR 83 H THR 83 7.699 -11.483 0.489 627 HA THR 83 HA THR 83 8.073 -14.207 1.106 628 HB THR 83 HB THR 83 6.760 -11.952 2.607 629 HG1 THR 83 1HG THR 83 9.113 -13.474 3.131 630 HG21 THR 83 1HG2 THR 83 6.916 -13.608 4.579 631 HG22 THR 83 2HG2 THR 83 6.933 -14.859 3.335 632 HG23 THR 83 3HG2 THR 83 5.557 -13.762 3.465 633 H LEU 84 H LEU 84 5.296 -12.399 0.043 634 HA LEU 84 HA LEU 84 3.463 -14.571 0.672 635 HB2 LEU 84 1HB LEU 84 2.970 -11.933 -0.701 636 HB3 LEU 84 2HB LEU 84 1.732 -13.083 -0.202 637 HG LEU 84 HG LEU 84 3.569 -11.957 1.860 638 HD11 LEU 84 1HD1 LEU 84 1.068 -10.496 1.129 639 HD12 LEU 84 2HD1 LEU 84 2.583 -10.125 0.307 640 HD13 LEU 84 3HD1 LEU 84 2.462 -9.942 2.057 641 HD21 LEU 84 1HD2 LEU 84 2.014 -12.688 3.319 642 HD22 LEU 84 2HD2 LEU 84 1.560 -13.746 1.982 643 HD23 LEU 84 3HD2 LEU 84 0.665 -12.252 2.269 644 H GLN 85 H GLN 85 5.502 -13.668 -1.846 645 HA GLN 85 HA GLN 85 5.804 -14.411 -3.974 646 HB2 GLN 85 1HB GLN 85 3.882 -16.596 -3.155 647 HB3 GLN 85 2HB GLN 85 4.978 -16.640 -4.530 648 HG2 GLN 85 1HG GLN 85 6.008 -16.287 -1.743 649 HG3 GLN 85 2HG GLN 85 5.637 -17.885 -2.389 650 HE21 GLN 85 1HE2 GLN 85 8.121 -17.609 -1.664 651 HE22 GLN 85 2HE2 GLN 85 9.184 -17.378 -3.006 652 H VAL 86 H VAL 86 3.583 -12.568 -3.316 653 HA VAL 86 HA VAL 86 1.591 -13.224 -5.352 654 HB VAL 86 HB VAL 86 0.458 -11.133 -4.537 655 HG11 VAL 86 1HG1 VAL 86 -0.590 -12.234 -2.803 656 HG12 VAL 86 2HG1 VAL 86 0.165 -13.574 -3.668 657 HG13 VAL 86 3HG1 VAL 86 0.910 -12.938 -2.201 658 HG21 VAL 86 1HG2 VAL 86 1.709 -10.953 -1.996 659 HG22 VAL 86 2HG2 VAL 86 2.956 -10.779 -3.230 660 HG23 VAL 86 3HG2 VAL 86 1.556 -9.707 -3.235 661 H GLU 87 H GLU 87 0.907 -11.475 -6.849 662 HA GLU 87 HA GLU 87 2.887 -10.692 -8.567 663 HB2 GLU 87 1HB GLU 87 1.304 -9.242 -9.610 664 HB3 GLU 87 2HB GLU 87 0.412 -10.624 -8.991 665 HG2 GLU 87 1HG GLU 87 0.634 -8.238 -7.249 666 HG3 GLU 87 2HG GLU 87 -0.420 -8.136 -8.658 667 H ILE 88 H ILE 88 3.826 -8.621 -9.071 668 HA ILE 88 HA ILE 88 3.945 -6.713 -6.851 669 HB ILE 88 HB ILE 88 6.412 -6.528 -7.124 670 HG12 ILE 88 1HG1 ILE 88 6.414 -9.220 -8.430 671 HG13 ILE 88 2HG1 ILE 88 6.203 -7.788 -9.432 672 HG21 ILE 88 1HG2 ILE 88 6.814 -8.089 -5.516 673 HG22 ILE 88 2HG2 ILE 88 5.051 -8.107 -5.487 674 HG23 ILE 88 3HG2 ILE 88 5.931 -9.356 -6.367 675 HD11 ILE 88 1HD1 ILE 88 8.453 -7.963 -9.533 676 HD12 ILE 88 2HD1 ILE 88 8.334 -7.001 -8.059 677 HD13 ILE 88 3HD1 ILE 88 8.577 -8.744 -7.957 678 H PHE 89 H PHE 89 5.565 -4.842 -7.670 679 HA PHE 89 HA PHE 89 5.171 -4.261 -10.490 680 HB2 PHE 89 1HB PHE 89 4.182 -2.008 -9.939 681 HB3 PHE 89 2HB PHE 89 3.120 -3.379 -9.632 682 HD1 PHE 89 1HD PHE 89 5.470 -1.040 -7.966 683 HD2 PHE 89 2HD PHE 89 2.165 -3.686 -7.534 684 HE1 PHE 89 1HE PHE 89 5.166 -0.275 -5.648 685 HE2 PHE 89 2HE PHE 89 1.854 -2.925 -5.215 686 HZ PHE 89 HZ PHE 89 3.355 -1.216 -4.269 687 H ASP 90 H ASP 90 6.151 -2.030 -11.001 688 HA ASP 90 HA ASP 90 8.765 -1.946 -9.716 689 HB2 ASP 90 1HB ASP 90 7.651 -0.797 -12.264 690 HB3 ASP 90 2HB ASP 90 9.200 -0.258 -11.622 691 HA PRO 91 HA PRO 91 8.067 1.694 -7.367 692 HB2 PRO 91 1HB PRO 91 10.514 2.864 -7.472 693 HB3 PRO 91 2HB PRO 91 10.184 1.410 -6.522 694 HG2 PRO 91 1HG PRO 91 11.440 1.661 -9.228 695 HG3 PRO 91 2HG PRO 91 11.917 0.633 -7.864 696 HD2 PRO 91 1HD PRO 91 10.510 -0.310 -9.976 697 HD3 PRO 91 2HD PRO 91 10.311 -0.952 -8.333 698 H ASP 92 H ASP 92 8.858 1.840 -10.676 699 HA ASP 92 HA ASP 92 8.697 4.739 -10.844 700 HB2 ASP 92 1HB ASP 92 8.718 2.941 -13.241 701 HB3 ASP 92 2HB ASP 92 9.423 4.543 -13.042 702 H ASP 93 H ASP 93 6.706 1.932 -11.367 703 HA ASP 93 HA ASP 93 4.695 3.172 -12.932 704 HB2 ASP 93 1HB ASP 93 4.660 0.717 -11.172 705 HB3 ASP 93 2HB ASP 93 3.284 1.223 -12.149 706 H LEU 94 H LEU 94 5.083 2.669 -9.452 707 HA LEU 94 HA LEU 94 2.569 3.955 -8.847 708 HB2 LEU 94 1HB LEU 94 2.997 2.363 -7.267 709 HB3 LEU 94 2HB LEU 94 4.737 2.639 -7.304 710 HG LEU 94 HG LEU 94 4.437 4.677 -5.976 711 HD11 LEU 94 1HD1 LEU 94 2.369 5.564 -6.406 712 HD12 LEU 94 2HD1 LEU 94 2.071 4.783 -4.853 713 HD13 LEU 94 3HD1 LEU 94 1.561 3.998 -6.348 714 HD21 LEU 94 1HD2 LEU 94 4.593 2.238 -5.037 715 HD22 LEU 94 2HD2 LEU 94 2.945 2.559 -4.497 716 HD23 LEU 94 3HD2 LEU 94 4.268 3.594 -3.956 717 H TYR 95 H TYR 95 5.982 4.670 -8.085 718 HA TYR 95 HA TYR 95 5.768 7.107 -6.915 719 HB2 TYR 95 1HB TYR 95 7.905 5.926 -7.330 720 HB3 TYR 95 2HB TYR 95 7.816 6.393 -9.025 721 HD1 TYR 95 2HD TYR 95 7.384 8.187 -5.767 722 HD2 TYR 95 1HD TYR 95 9.316 8.054 -9.556 723 HE1 TYR 95 2HE TYR 95 8.545 10.290 -5.242 724 HE2 TYR 95 1HE TYR 95 10.483 10.157 -9.041 725 HH TYR 95 HH TYR 95 10.439 11.556 -5.881 726 H SER 96 H SER 96 6.056 6.622 -10.437 727 HA SER 96 HA SER 96 5.417 9.375 -10.975 728 HB2 SER 96 1HB SER 96 6.962 8.099 -12.424 729 HB3 SER 96 2HB SER 96 5.634 7.033 -12.883 730 HG SER 96 HG SER 96 4.640 8.729 -13.908 731 H GLY 97 H GLY 97 3.820 6.268 -11.710 732 HA2 GLY 97 1HA GLY 97 1.434 6.084 -11.142 733 HA3 GLY 97 2HA GLY 97 1.254 7.733 -11.721 734 H VAL 98 H VAL 98 3.145 5.207 -13.285 735 HA VAL 98 HA VAL 98 1.780 5.660 -15.772 736 HB VAL 98 HB VAL 98 3.855 3.583 -15.055 737 HG11 VAL 98 1HG1 VAL 98 4.161 3.272 -17.421 738 HG12 VAL 98 2HG1 VAL 98 2.461 3.010 -17.027 739 HG13 VAL 98 3HG1 VAL 98 2.969 4.522 -17.780 740 HG21 VAL 98 1HG2 VAL 98 4.319 6.181 -14.982 741 HG22 VAL 98 2HG2 VAL 98 5.497 5.057 -15.660 742 HG23 VAL 98 3HG2 VAL 98 4.435 5.972 -16.730 743 H ASN 99 H ASN 99 2.228 2.766 -13.729 744 HA ASN 99 HA ASN 99 -0.352 1.774 -14.749 745 HB2 ASN 99 1HB ASN 99 2.232 0.302 -14.290 746 HB3 ASN 99 2HB ASN 99 0.689 -0.547 -14.286 747 HD21 ASN 99 1HD2 ASN 99 2.464 -1.321 -16.096 748 HD22 ASN 99 2HD2 ASN 99 2.031 -0.781 -17.678 749 H PHE 100 H PHE 100 -1.676 2.255 -13.078 750 HA PHE 100 HA PHE 100 -0.839 1.765 -10.343 751 HB2 PHE 100 1HB PHE 100 -2.160 3.788 -10.955 752 HB3 PHE 100 2HB PHE 100 -3.510 2.738 -11.376 753 HD1 PHE 100 2HD PHE 100 -1.145 2.912 -8.492 754 HD2 PHE 100 1HD PHE 100 -5.186 2.860 -9.826 755 HE1 PHE 100 2HE PHE 100 -1.913 2.970 -6.155 756 HE2 PHE 100 1HE PHE 100 -5.961 2.919 -7.491 757 HZ PHE 100 HZ PHE 100 -4.324 2.973 -5.652 758 H SER 101 H SER 101 -3.253 0.549 -12.632 759 HA SER 101 HA SER 101 -4.775 -1.133 -11.200 760 HB2 SER 101 1HB SER 101 -5.027 -1.034 -13.589 761 HB3 SER 101 2HB SER 101 -3.425 -1.726 -13.841 762 HG SER 101 HG SER 101 -5.750 -2.993 -13.535 763 H LYS 102 H LYS 102 -1.400 -1.694 -12.049 764 HA LYS 102 HA LYS 102 -1.268 -4.338 -11.012 765 HB2 LYS 102 1HB LYS 102 0.806 -2.278 -11.728 766 HB3 LYS 102 2HB LYS 102 1.255 -3.818 -11.008 767 HG2 LYS 102 1HG LYS 102 0.344 -5.026 -12.861 768 HG3 LYS 102 2HG LYS 102 -0.340 -3.550 -13.545 769 HD2 LYS 102 1HD LYS 102 1.580 -3.798 -14.800 770 HD3 LYS 102 2HD LYS 102 2.135 -2.723 -13.514 771 HE2 LYS 102 1HE LYS 102 2.730 -4.982 -12.318 772 HE3 LYS 102 2HE LYS 102 2.714 -5.616 -13.963 773 HZ1 LYS 102 1HZ LYS 102 4.431 -3.457 -12.877 774 HZ2 LYS 102 2HZ LYS 102 4.292 -3.779 -14.531 775 HZ3 LYS 102 3HZ LYS 102 4.919 -4.956 -13.491 776 H VAL 103 H VAL 103 -0.441 -1.153 -9.695 777 HA VAL 103 HA VAL 103 0.603 -2.080 -7.241 778 HB VAL 103 HB VAL 103 -0.694 0.583 -7.841 779 HG11 VAL 103 1HG1 VAL 103 0.352 1.428 -5.899 780 HG12 VAL 103 2HG1 VAL 103 -0.424 -0.080 -5.410 781 HG13 VAL 103 3HG1 VAL 103 1.317 -0.033 -5.691 782 HG21 VAL 103 1HG2 VAL 103 1.465 1.404 -8.382 783 HG22 VAL 103 2HG2 VAL 103 2.243 -0.081 -7.836 784 HG23 VAL 103 3HG2 VAL 103 1.253 -0.089 -9.296 785 H LEU 104 H LEU 104 -2.647 -1.415 -8.344 786 HA LEU 104 HA LEU 104 -3.835 -1.473 -5.737 787 HB2 LEU 104 1HB LEU 104 -4.880 -0.253 -7.555 788 HB3 LEU 104 2HB LEU 104 -5.050 -1.741 -8.483 789 HG LEU 104 HG LEU 104 -6.580 -2.576 -6.670 790 HD11 LEU 104 1HD1 LEU 104 -7.021 0.221 -5.805 791 HD12 LEU 104 2HD1 LEU 104 -5.626 -0.625 -5.137 792 HD13 LEU 104 3HD1 LEU 104 -7.245 -1.290 -4.924 793 HD21 LEU 104 1HD2 LEU 104 -8.495 -1.264 -7.449 794 HD22 LEU 104 2HD2 LEU 104 -7.434 -1.721 -8.782 795 HD23 LEU 104 3HD2 LEU 104 -7.395 -0.075 -8.147 796 H SER 105 H SER 105 -3.577 -3.767 -8.430 797 HA SER 105 HA SER 105 -5.066 -5.836 -7.218 798 HB2 SER 105 1HB SER 105 -4.110 -7.285 -8.935 799 HB3 SER 105 2HB SER 105 -4.571 -5.738 -9.645 800 HG SER 105 HG SER 105 -2.018 -6.779 -9.133 801 H THR 106 H THR 106 -1.672 -4.948 -7.098 802 HA THR 106 HA THR 106 -0.643 -7.279 -5.936 803 HB THR 106 HB THR 106 0.287 -4.419 -5.630 804 HG1 THR 106 1HG THR 106 1.511 -6.425 -7.199 805 HG21 THR 106 1HG2 THR 106 1.607 -5.229 -4.006 806 HG22 THR 106 2HG2 THR 106 2.482 -6.044 -5.302 807 HG23 THR 106 3HG2 THR 106 1.224 -6.901 -4.411 808 H LEU 107 H LEU 107 -1.842 -4.300 -4.403 809 HA LEU 107 HA LEU 107 -1.445 -5.211 -1.746 810 HB2 LEU 107 1HB LEU 107 -3.107 -3.014 -2.944 811 HB3 LEU 107 2HB LEU 107 -3.089 -3.338 -1.211 812 HG LEU 107 HG LEU 107 -0.663 -2.598 -2.847 813 HD11 LEU 107 1HD1 LEU 107 -2.756 -0.983 -1.601 814 HD12 LEU 107 2HD1 LEU 107 -1.551 -0.547 -2.813 815 HD13 LEU 107 3HD1 LEU 107 -1.120 -0.549 -1.103 816 HD21 LEU 107 1HD2 LEU 107 -0.840 -3.853 -0.381 817 HD22 LEU 107 2HD2 LEU 107 -0.569 -2.156 0.014 818 HD23 LEU 107 3HD2 LEU 107 0.563 -3.010 -1.036 819 H LEU 108 H LEU 108 -4.008 -5.589 -4.063 820 HA LEU 108 HA LEU 108 -6.079 -6.297 -2.271 821 HB2 LEU 108 1HB LEU 108 -5.583 -6.575 -5.184 822 HB3 LEU 108 2HB LEU 108 -6.832 -7.593 -4.467 823 HG LEU 108 HG LEU 108 -6.789 -4.585 -4.255 824 HD11 LEU 108 1HD1 LEU 108 -8.533 -6.212 -6.082 825 HD12 LEU 108 2HD1 LEU 108 -7.004 -5.509 -6.608 826 HD13 LEU 108 3HD1 LEU 108 -8.308 -4.463 -6.046 827 HD21 LEU 108 1HD2 LEU 108 -9.040 -4.809 -3.485 828 HD22 LEU 108 2HD2 LEU 108 -8.026 -5.875 -2.512 829 HD23 LEU 108 3HD2 LEU 108 -9.032 -6.545 -3.797 830 H ALA 109 H ALA 109 -3.791 -8.258 -4.157 831 HA ALA 109 HA ALA 109 -4.710 -10.773 -3.338 832 HB1 ALA 109 1HB ALA 109 -3.214 -10.513 -5.224 833 HB2 ALA 109 2HB ALA 109 -1.931 -9.937 -4.159 834 HB3 ALA 109 3HB ALA 109 -2.500 -11.602 -4.035 835 H VAL 110 H VAL 110 -2.289 -8.615 -1.920 836 HA VAL 110 HA VAL 110 -1.350 -10.350 0.075 837 HB VAL 110 HB VAL 110 -1.482 -7.338 -0.013 838 HG11 VAL 110 1HG1 VAL 110 0.070 -7.329 1.875 839 HG12 VAL 110 2HG1 VAL 110 -1.470 -8.070 2.318 840 HG13 VAL 110 3HG1 VAL 110 -0.062 -9.084 1.997 841 HG21 VAL 110 1HG2 VAL 110 0.646 -9.378 -0.593 842 HG22 VAL 110 2HG2 VAL 110 0.011 -8.120 -1.653 843 HG23 VAL 110 3HG2 VAL 110 1.029 -7.685 -0.281 844 H ASN 111 H ASN 111 -3.725 -7.700 0.374 845 HA ASN 111 HA ASN 111 -4.485 -8.053 2.981 846 HB2 ASN 111 1HB ASN 111 -5.489 -6.211 2.032 847 HB3 ASN 111 2HB ASN 111 -5.900 -7.066 0.548 848 HD21 ASN 111 1HD2 ASN 111 -6.642 -7.194 4.017 849 HD22 ASN 111 2HD2 ASN 111 -8.335 -7.472 3.816 850 H LYS 112 H LYS 112 -5.473 -9.918 0.172 851 HA LYS 112 HA LYS 112 -7.490 -11.413 1.540 852 HB2 LYS 112 1HB LYS 112 -6.179 -11.518 -1.131 853 HB3 LYS 112 2HB LYS 112 -6.975 -12.979 -0.560 854 HG2 LYS 112 1HG LYS 112 -8.437 -10.383 -0.464 855 HG3 LYS 112 2HG LYS 112 -8.277 -11.243 -1.998 856 HD2 LYS 112 1HD LYS 112 -9.212 -12.701 0.440 857 HD3 LYS 112 2HD LYS 112 -10.339 -11.687 -0.463 858 HE2 LYS 112 1HE LYS 112 -8.686 -13.908 -1.659 859 HE3 LYS 112 2HE LYS 112 -10.369 -14.069 -1.158 860 HZ1 LYS 112 1HZ LYS 112 -10.199 -11.837 -2.812 861 HZ2 LYS 112 2HZ LYS 112 -10.966 -13.309 -3.133 862 HZ3 LYS 112 3HZ LYS 112 -9.352 -13.081 -3.585 863 H ALA 113 H ALA 113 -4.069 -11.847 0.885 864 HA ALA 113 HA ALA 113 -3.927 -14.568 1.699 865 HB1 ALA 113 1HB ALA 113 -1.474 -14.135 1.830 866 HB2 ALA 113 2HB ALA 113 -2.207 -13.695 0.287 867 HB3 ALA 113 3HB ALA 113 -1.806 -12.442 1.461 868 H THR 114 H THR 114 -3.562 -11.489 3.365 869 HA THR 114 HA THR 114 -2.579 -12.574 5.803 870 HB THR 114 HB THR 114 -3.248 -10.367 6.785 871 HG1 THR 114 1HG THR 114 -3.932 -9.630 4.130 872 HG21 THR 114 1HG2 THR 114 -1.662 -10.306 4.215 873 HG22 THR 114 2HG2 THR 114 -1.037 -10.633 5.832 874 HG23 THR 114 3HG2 THR 114 -1.659 -9.032 5.433 875 H GLU 115 H GLU 115 -5.784 -11.931 4.525 876 HA GLU 115 HA GLU 115 -7.018 -12.695 7.062 877 HB2 GLU 115 1HB GLU 115 -8.995 -11.749 6.289 878 HB3 GLU 115 2HB GLU 115 -7.771 -10.716 5.565 879 HG2 GLU 115 1HG GLU 115 -7.977 -11.940 3.463 880 HG3 GLU 115 2HG GLU 115 -9.204 -12.977 4.188 881 H SER 116 H SER 116 -9.054 -14.114 6.780 882 HA SER 116 HA SER 116 -9.752 -16.275 6.523 883 HB2 SER 116 1HB SER 116 -10.457 -15.182 4.378 884 HB3 SER 116 2HB SER 116 -8.980 -15.797 3.636 885 HG SER 116 HG SER 116 -10.690 -17.573 4.976 886 H GLY 117 H GLY 117 -7.100 -16.119 7.406 887 HA2 GLY 117 1HA GLY 117 -6.182 -18.741 6.672 888 HA3 GLY 117 2HA GLY 117 -5.133 -17.465 6.071 889 HA PRO 118 HA PRO 118 -4.145 -18.665 10.550 890 HB2 PRO 118 1HB PRO 118 -1.765 -19.883 10.076 891 HB3 PRO 118 2HB PRO 118 -3.304 -20.753 10.089 892 HG2 PRO 118 1HG PRO 118 -1.719 -19.745 7.759 893 HG3 PRO 118 2HG PRO 118 -2.548 -21.299 7.959 894 HD2 PRO 118 1HD PRO 118 -3.606 -19.257 6.530 895 HD3 PRO 118 2HD PRO 118 -4.609 -20.410 7.433 896 H SER 119 H SER 119 -3.569 -16.732 11.352 897 HA SER 119 HA SER 119 -0.922 -15.697 10.680 898 HB2 SER 119 1HB SER 119 -1.700 -13.443 10.321 899 HB3 SER 119 2HB SER 119 -2.598 -14.507 9.238 900 HG SER 119 HG SER 119 -4.333 -14.430 10.697 901 H SER 120 H SER 120 0.020 -14.417 12.303 902 HA SER 120 HA SER 120 -1.323 -13.628 14.665 903 HB2 SER 120 1HB SER 120 -1.254 -16.161 14.921 904 HB3 SER 120 2HB SER 120 0.497 -16.005 15.063 905 HG SER 120 HG SER 120 -0.310 -15.939 17.116 906 H GLY 121 H GLY 121 0.249 -12.907 16.377 907 HA2 GLY 121 1HA GLY 121 2.959 -12.435 15.388 908 HA3 GLY 121 2HA GLY 121 1.958 -11.021 15.682 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -29.534 -0.385 -3.972 2 HA2 GLY 1 1HA GLY 1 -30.835 -2.453 -5.517 3 HA3 GLY 1 2HA GLY 1 -29.822 -1.161 -6.143 4 H SER 2 H SER 2 -27.430 -1.449 -5.151 5 HA SER 2 HA SER 2 -26.487 -4.111 -4.881 6 HB2 SER 2 1HB SER 2 -25.349 -4.383 -7.007 7 HB3 SER 2 2HB SER 2 -27.068 -4.128 -7.306 8 HG SER 2 HG SER 2 -24.989 -2.208 -7.532 9 H SER 3 H SER 3 -24.669 -3.982 -3.751 10 HA SER 3 HA SER 3 -23.442 -1.534 -3.121 11 HB2 SER 3 1HB SER 3 -23.399 -3.618 -1.711 12 HB3 SER 3 2HB SER 3 -22.203 -4.279 -2.826 13 HG SER 3 HG SER 3 -21.958 -2.229 -0.951 14 H GLY 4 H GLY 4 -22.216 -0.315 -4.388 15 HA2 GLY 4 1HA GLY 4 -21.189 -1.015 -6.864 16 HA3 GLY 4 2HA GLY 4 -20.597 0.320 -5.887 17 H SER 5 H SER 5 -19.702 -2.453 -7.408 18 HA SER 5 HA SER 5 -17.796 -3.445 -5.497 19 HB2 SER 5 1HB SER 5 -18.914 -4.846 -7.282 20 HB3 SER 5 2HB SER 5 -17.888 -4.031 -8.462 21 HG SER 5 HG SER 5 -16.880 -5.922 -7.833 22 H SER 6 H SER 6 -15.885 -2.579 -5.084 23 HA SER 6 HA SER 6 -14.200 -1.551 -7.173 24 HB2 SER 6 1HB SER 6 -14.000 0.717 -6.355 25 HB3 SER 6 2HB SER 6 -15.701 0.389 -6.680 26 HG SER 6 HG SER 6 -16.001 0.990 -4.696 27 H GLY 7 H GLY 7 -12.102 -1.804 -6.654 28 HA2 GLY 7 1HA GLY 7 -11.485 -2.959 -4.068 29 HA3 GLY 7 2HA GLY 7 -10.390 -2.808 -5.434 30 H GLU 8 H GLU 8 -10.770 0.012 -5.825 31 HA GLU 8 HA GLU 8 -8.725 1.105 -4.414 32 HB2 GLU 8 1HB GLU 8 -11.239 2.501 -5.343 33 HB3 GLU 8 2HB GLU 8 -9.776 3.330 -4.830 34 HG2 GLU 8 1HG GLU 8 -8.625 2.774 -6.715 35 HG3 GLU 8 2HG GLU 8 -9.542 1.290 -6.971 36 H GLU 9 H GLU 9 -12.161 1.446 -3.515 37 HA GLU 9 HA GLU 9 -11.754 2.779 -1.100 38 HB2 GLU 9 1HB GLU 9 -13.943 2.361 -2.376 39 HB3 GLU 9 2HB GLU 9 -13.991 0.814 -1.542 40 HG2 GLU 9 1HG GLU 9 -15.314 2.198 -0.233 41 HG3 GLU 9 2HG GLU 9 -13.767 2.174 0.610 42 H GLN 10 H GLN 10 -12.168 -0.705 -1.697 43 HA GLN 10 HA GLN 10 -12.091 -1.705 0.834 44 HB2 GLN 10 1HB GLN 10 -10.998 -2.718 -1.759 45 HB3 GLN 10 2HB GLN 10 -10.662 -3.611 -0.282 46 HG2 GLN 10 1HG GLN 10 -13.228 -3.467 0.078 47 HG3 GLN 10 2HG GLN 10 -13.268 -3.133 -1.652 48 HE21 GLN 10 1HE2 GLN 10 -12.772 -4.743 -3.097 49 HE22 GLN 10 2HE2 GLN 10 -12.597 -6.399 -2.637 50 H ILE 11 H ILE 11 -9.216 -1.044 -1.170 51 HA ILE 11 HA ILE 11 -7.310 -1.671 0.783 52 HB ILE 11 HB ILE 11 -7.052 0.324 -1.470 53 HG12 ILE 11 1HG1 ILE 11 -7.743 -1.984 -2.153 54 HG13 ILE 11 2HG1 ILE 11 -6.180 -1.489 -2.794 55 HG21 ILE 11 1HG2 ILE 11 -4.920 -1.162 0.060 56 HG22 ILE 11 2HG2 ILE 11 -4.659 -0.044 -1.278 57 HG23 ILE 11 3HG2 ILE 11 -5.313 0.547 0.249 58 HD11 ILE 11 1HD1 ILE 11 -6.086 -2.924 -0.235 59 HD12 ILE 11 2HD1 ILE 11 -6.658 -3.861 -1.616 60 HD13 ILE 11 3HD1 ILE 11 -5.076 -3.084 -1.672 61 H VAL 12 H VAL 12 -8.511 1.539 -0.211 62 HA VAL 12 HA VAL 12 -7.163 3.154 1.521 63 HB VAL 12 HB VAL 12 -10.085 3.410 0.794 64 HG11 VAL 12 1HG1 VAL 12 -9.070 4.799 2.747 65 HG12 VAL 12 2HG1 VAL 12 -8.290 5.707 1.451 66 HG13 VAL 12 3HG1 VAL 12 -10.050 5.602 1.520 67 HG21 VAL 12 1HG2 VAL 12 -7.872 4.911 -0.530 68 HG22 VAL 12 2HG2 VAL 12 -8.205 3.250 -1.019 69 HG23 VAL 12 3HG2 VAL 12 -9.465 4.477 -1.151 70 H THR 13 H THR 13 -10.297 1.601 2.219 71 HA THR 13 HA THR 13 -10.367 2.432 4.930 72 HB THR 13 HB THR 13 -11.835 0.147 3.598 73 HG1 THR 13 1HG THR 13 -12.096 2.545 2.968 74 HG21 THR 13 1HG2 THR 13 -11.763 -0.032 6.062 75 HG22 THR 13 2HG2 THR 13 -13.389 0.286 5.459 76 HG23 THR 13 3HG2 THR 13 -12.446 1.589 6.180 77 H TRP 14 H TRP 14 -9.163 -0.443 3.303 78 HA TRP 14 HA TRP 14 -8.801 -2.089 5.537 79 HB2 TRP 14 1HB TRP 14 -8.625 -2.963 3.277 80 HB3 TRP 14 2HB TRP 14 -7.220 -1.949 2.962 81 HD1 TRP 14 HD TRP 14 -7.755 -4.147 6.097 82 HE1 TRP 14 1HE TRP 14 -5.831 -5.853 6.214 83 HE3 TRP 14 3HE TRP 14 -5.432 -3.053 1.677 84 HZ2 TRP 14 2HZ TRP 14 -3.620 -6.630 4.640 85 HZ3 TRP 14 3HZ TRP 14 -3.418 -4.323 1.057 86 HH2 TRP 14 HH TRP 14 -2.532 -6.074 2.510 87 H LEU 15 H LEU 15 -6.205 -0.344 3.819 88 HA LEU 15 HA LEU 15 -4.154 -0.626 5.544 89 HB2 LEU 15 1HB LEU 15 -4.947 1.915 4.131 90 HB3 LEU 15 2HB LEU 15 -3.367 1.622 4.855 91 HG LEU 15 HG LEU 15 -4.449 -0.158 2.693 92 HD11 LEU 15 1HD1 LEU 15 -4.556 1.977 1.680 93 HD12 LEU 15 2HD1 LEU 15 -3.048 1.243 1.136 94 HD13 LEU 15 3HD1 LEU 15 -3.023 2.474 2.398 95 HD21 LEU 15 1HD2 LEU 15 -2.262 -0.372 4.303 96 HD22 LEU 15 2HD2 LEU 15 -1.590 0.449 2.894 97 HD23 LEU 15 3HD2 LEU 15 -2.414 -1.099 2.703 98 H ILE 16 H ILE 16 -6.418 2.126 5.749 99 HA ILE 16 HA ILE 16 -5.530 3.222 8.114 100 HB ILE 16 HB ILE 16 -8.393 3.057 7.166 101 HG12 ILE 16 1HG1 ILE 16 -6.381 5.282 6.792 102 HG13 ILE 16 2HG1 ILE 16 -6.725 4.061 5.571 103 HG21 ILE 16 1HG2 ILE 16 -7.200 4.205 9.535 104 HG22 ILE 16 2HG2 ILE 16 -8.006 5.431 8.558 105 HG23 ILE 16 3HG2 ILE 16 -8.901 4.015 9.110 106 HD11 ILE 16 1HD1 ILE 16 -9.132 4.819 5.692 107 HD12 ILE 16 2HD1 ILE 16 -8.547 6.194 6.630 108 HD13 ILE 16 3HD1 ILE 16 -7.983 5.949 4.977 109 H SER 17 H SER 17 -8.207 0.886 7.777 110 HA SER 17 HA SER 17 -8.941 0.479 10.339 111 HB2 SER 17 1HB SER 17 -9.863 -0.749 8.379 112 HB3 SER 17 2HB SER 17 -8.428 -1.775 8.382 113 HG SER 17 HG SER 17 -10.376 -2.557 9.540 114 H LEU 18 H LEU 18 -6.064 -0.900 8.804 115 HA LEU 18 HA LEU 18 -5.232 -2.430 11.033 116 HB2 LEU 18 1HB LEU 18 -3.792 -1.360 8.625 117 HB3 LEU 18 2HB LEU 18 -2.971 -2.308 9.864 118 HG LEU 18 HG LEU 18 -5.371 -3.356 8.388 119 HD11 LEU 18 1HD1 LEU 18 -4.044 -4.266 6.713 120 HD12 LEU 18 2HD1 LEU 18 -2.551 -3.997 7.611 121 HD13 LEU 18 3HD1 LEU 18 -3.404 -2.632 6.891 122 HD21 LEU 18 1HD2 LEU 18 -3.100 -4.699 9.851 123 HD22 LEU 18 2HD2 LEU 18 -4.444 -5.515 9.051 124 HD23 LEU 18 3HD2 LEU 18 -4.744 -4.491 10.456 125 H GLY 19 H GLY 19 -4.244 0.777 9.847 126 HA2 GLY 19 1HA GLY 19 -4.017 2.468 11.684 127 HA3 GLY 19 2HA GLY 19 -3.034 1.261 12.500 128 H VAL 20 H VAL 20 -2.931 1.939 9.051 129 HA VAL 20 HA VAL 20 -0.198 2.986 9.418 130 HB VAL 20 HB VAL 20 0.237 2.134 7.092 131 HG11 VAL 20 1HG1 VAL 20 0.699 0.951 9.385 132 HG12 VAL 20 2HG1 VAL 20 -0.506 -0.197 8.797 133 HG13 VAL 20 3HG1 VAL 20 0.964 0.097 7.866 134 HG21 VAL 20 1HG2 VAL 20 -2.353 0.656 7.553 135 HG22 VAL 20 2HG2 VAL 20 -2.090 1.936 6.368 136 HG23 VAL 20 3HG2 VAL 20 -1.240 0.399 6.209 137 H LEU 21 H LEU 21 -3.315 3.500 8.058 138 HA LEU 21 HA LEU 21 -2.329 5.932 6.716 139 HB2 LEU 21 1HB LEU 21 -3.187 4.297 5.123 140 HB3 LEU 21 2HB LEU 21 -4.713 4.229 6.001 141 HG LEU 21 HG LEU 21 -5.172 6.552 5.387 142 HD11 LEU 21 1HD1 LEU 21 -3.644 7.452 3.498 143 HD12 LEU 21 2HD1 LEU 21 -2.444 6.356 4.181 144 HD13 LEU 21 3HD1 LEU 21 -3.140 7.633 5.179 145 HD21 LEU 21 1HD2 LEU 21 -5.852 6.113 3.214 146 HD22 LEU 21 2HD2 LEU 21 -5.689 4.498 3.903 147 HD23 LEU 21 3HD2 LEU 21 -4.425 5.142 2.854 148 H GLU 22 H GLU 22 -3.426 7.840 7.046 149 HA GLU 22 HA GLU 22 -4.792 8.137 9.499 150 HB2 GLU 22 1HB GLU 22 -4.326 9.959 7.153 151 HB3 GLU 22 2HB GLU 22 -5.323 10.465 8.510 152 HG2 GLU 22 1HG GLU 22 -3.071 11.283 8.775 153 HG3 GLU 22 2HG GLU 22 -3.439 10.097 10.027 154 H SER 23 H SER 23 -6.955 9.374 9.570 155 HA SER 23 HA SER 23 -8.843 8.161 7.662 156 HB2 SER 23 1HB SER 23 -8.810 7.060 9.953 157 HB3 SER 23 2HB SER 23 -9.439 8.578 10.595 158 HG SER 23 HG SER 23 -11.146 7.186 10.126 159 HA PRO 24 HA PRO 24 -9.430 12.732 7.642 160 HB2 PRO 24 1HB PRO 24 -9.908 12.872 4.974 161 HB3 PRO 24 2HB PRO 24 -8.279 12.890 5.660 162 HG2 PRO 24 1HG PRO 24 -9.799 10.614 4.446 163 HG3 PRO 24 2HG PRO 24 -8.098 11.064 4.230 164 HD2 PRO 24 1HD PRO 24 -8.878 9.070 5.888 165 HD3 PRO 24 2HD PRO 24 -7.455 10.081 6.214 166 H LYS 25 H LYS 25 -11.374 13.118 8.528 167 HA LYS 25 HA LYS 25 -13.722 11.825 8.364 168 HB2 LYS 25 1HB LYS 25 -13.444 14.836 8.309 169 HB3 LYS 25 2HB LYS 25 -14.872 13.947 8.823 170 HG2 LYS 25 1HG LYS 25 -12.271 13.424 10.178 171 HG3 LYS 25 2HG LYS 25 -13.181 14.883 10.576 172 HD2 LYS 25 1HD LYS 25 -14.987 13.675 11.413 173 HD3 LYS 25 2HD LYS 25 -14.520 12.202 10.561 174 HE2 LYS 25 1HE LYS 25 -12.944 11.636 12.123 175 HE3 LYS 25 2HE LYS 25 -12.650 13.310 12.591 176 HZ1 LYS 25 1HZ LYS 25 -14.649 11.432 13.567 177 HZ2 LYS 25 2HZ LYS 25 -15.149 13.040 13.406 178 HZ3 LYS 25 3HZ LYS 25 -13.825 12.660 14.388 179 H LYS 26 H LYS 26 -12.665 14.310 6.053 180 HA LYS 26 HA LYS 26 -14.882 14.424 4.422 181 HB2 LYS 26 1HB LYS 26 -12.591 15.686 4.325 182 HB3 LYS 26 2HB LYS 26 -12.142 14.407 3.205 183 HG2 LYS 26 1HG LYS 26 -13.849 15.024 1.680 184 HG3 LYS 26 2HG LYS 26 -14.590 16.116 2.852 185 HD2 LYS 26 1HD LYS 26 -13.433 17.635 1.599 186 HD3 LYS 26 2HD LYS 26 -12.189 17.230 2.784 187 HE2 LYS 26 1HE LYS 26 -11.079 17.106 0.734 188 HE3 LYS 26 2HE LYS 26 -11.461 15.427 1.113 189 HZ1 LYS 26 1HZ LYS 26 -12.491 17.132 -1.004 190 HZ2 LYS 26 2HZ LYS 26 -13.618 16.106 -0.270 191 HZ3 LYS 26 3HZ LYS 26 -12.229 15.461 -0.990 192 H THR 27 H THR 27 -15.595 13.320 2.607 193 HA THR 27 HA THR 27 -14.756 10.530 2.476 194 HB THR 27 HB THR 27 -16.961 11.571 0.762 195 HG1 THR 27 1HG THR 27 -17.829 12.451 2.498 196 HG21 THR 27 1HG2 THR 27 -16.318 9.193 0.743 197 HG22 THR 27 2HG2 THR 27 -17.967 9.424 1.324 198 HG23 THR 27 3HG2 THR 27 -16.667 9.096 2.468 199 H ILE 28 H ILE 28 -13.162 10.046 1.120 200 HA ILE 28 HA ILE 28 -12.415 11.688 -1.081 201 HB ILE 28 HB ILE 28 -11.583 8.851 -0.462 202 HG12 ILE 28 1HG1 ILE 28 -9.865 11.240 0.049 203 HG13 ILE 28 2HG1 ILE 28 -11.155 10.876 1.191 204 HG21 ILE 28 1HG2 ILE 28 -9.549 9.570 -1.822 205 HG22 ILE 28 2HG2 ILE 28 -11.034 9.230 -2.709 206 HG23 ILE 28 3HG2 ILE 28 -10.554 10.899 -2.400 207 HD11 ILE 28 1HD1 ILE 28 -10.185 8.558 1.356 208 HD12 ILE 28 2HD1 ILE 28 -8.797 9.173 0.458 209 HD13 ILE 28 3HD1 ILE 28 -9.206 9.861 2.030 210 H CYS 29 H CYS 29 -13.620 11.860 -2.853 211 HA CYS 29 HA CYS 29 -15.370 9.756 -3.728 212 HB2 CYS 29 1HB CYS 29 -15.960 11.299 -5.547 213 HB3 CYS 29 2HB CYS 29 -16.020 12.103 -3.983 214 HG CYS 29 HG CYS 29 -14.679 14.105 -4.853 215 H ASP 30 H ASP 30 -12.338 11.184 -4.856 216 HA ASP 30 HA ASP 30 -12.141 9.059 -6.881 217 HB2 ASP 30 1HB ASP 30 -10.220 10.596 -7.724 218 HB3 ASP 30 2HB ASP 30 -11.889 11.072 -8.027 219 HA PRO 31 HA PRO 31 -9.179 7.758 -3.596 220 HB2 PRO 31 1HB PRO 31 -9.662 5.106 -3.911 221 HB3 PRO 31 2HB PRO 31 -10.649 6.146 -2.877 222 HG2 PRO 31 1HG PRO 31 -11.178 5.199 -5.667 223 HG3 PRO 31 2HG PRO 31 -12.292 5.305 -4.292 224 HD2 PRO 31 1HD PRO 31 -12.231 7.159 -6.264 225 HD3 PRO 31 2HD PRO 31 -12.636 7.565 -4.584 226 H GLU 32 H GLU 32 -9.587 7.115 -6.956 227 HA GLU 32 HA GLU 32 -7.444 5.407 -7.476 228 HB2 GLU 32 1HB GLU 32 -9.038 5.848 -9.203 229 HB3 GLU 32 2HB GLU 32 -8.705 7.574 -9.154 230 HG2 GLU 32 1HG GLU 32 -6.309 6.893 -9.831 231 HG3 GLU 32 2HG GLU 32 -7.054 5.368 -10.306 232 H GLU 33 H GLU 33 -7.540 8.963 -7.457 233 HA GLU 33 HA GLU 33 -4.713 9.185 -7.920 234 HB2 GLU 33 1HB GLU 33 -6.971 11.073 -7.489 235 HB3 GLU 33 2HB GLU 33 -5.351 11.655 -7.134 236 HG2 GLU 33 1HG GLU 33 -4.639 11.157 -9.389 237 HG3 GLU 33 2HG GLU 33 -6.218 10.465 -9.759 238 H PHE 34 H PHE 34 -6.876 9.604 -5.146 239 HA PHE 34 HA PHE 34 -5.068 10.548 -3.277 240 HB2 PHE 34 1HB PHE 34 -7.477 10.387 -2.850 241 HB3 PHE 34 2HB PHE 34 -7.365 8.631 -2.826 242 HD1 PHE 34 2HD PHE 34 -6.521 11.720 -1.030 243 HD2 PHE 34 1HD PHE 34 -6.540 7.465 -0.915 244 HE1 PHE 34 2HE PHE 34 -6.062 11.787 1.386 245 HE2 PHE 34 1HE PHE 34 -6.082 7.525 1.502 246 HZ PHE 34 HZ PHE 34 -5.842 9.688 2.655 247 H LEU 35 H LEU 35 -5.843 7.171 -4.069 248 HA LEU 35 HA LEU 35 -4.068 6.002 -2.222 249 HB2 LEU 35 1HB LEU 35 -5.450 5.072 -4.696 250 HB3 LEU 35 2HB LEU 35 -4.196 4.062 -3.980 251 HG LEU 35 HG LEU 35 -6.566 5.023 -2.399 252 HD11 LEU 35 1HD1 LEU 35 -6.909 3.526 -4.608 253 HD12 LEU 35 2HD1 LEU 35 -7.905 3.380 -3.160 254 HD13 LEU 35 3HD1 LEU 35 -6.567 2.263 -3.426 255 HD21 LEU 35 1HD2 LEU 35 -4.216 3.708 -1.708 256 HD22 LEU 35 2HD2 LEU 35 -5.439 2.438 -1.766 257 HD23 LEU 35 3HD2 LEU 35 -5.679 3.848 -0.733 258 H LYS 36 H LYS 36 -3.692 6.833 -5.649 259 HA LYS 36 HA LYS 36 -1.115 5.790 -6.003 260 HB2 LYS 36 1HB LYS 36 -2.497 8.105 -7.368 261 HB3 LYS 36 2HB LYS 36 -0.970 7.417 -7.905 262 HG2 LYS 36 1HG LYS 36 -1.949 5.463 -8.633 263 HG3 LYS 36 2HG LYS 36 -3.351 5.650 -7.577 264 HD2 LYS 36 1HD LYS 36 -4.220 6.147 -9.670 265 HD3 LYS 36 2HD LYS 36 -3.850 7.745 -9.018 266 HE2 LYS 36 1HE LYS 36 -1.615 7.545 -10.206 267 HE3 LYS 36 2HE LYS 36 -2.297 6.151 -11.042 268 HZ1 LYS 36 1HZ LYS 36 -4.183 7.755 -11.642 269 HZ2 LYS 36 2HZ LYS 36 -2.716 7.906 -12.470 270 HZ3 LYS 36 3HZ LYS 36 -3.098 8.984 -11.223 271 H SER 37 H SER 37 -2.230 8.712 -4.495 272 HA SER 37 HA SER 37 0.445 9.864 -4.423 273 HB2 SER 37 1HB SER 37 -1.611 11.270 -4.820 274 HB3 SER 37 2HB SER 37 -2.078 10.944 -3.151 275 HG SER 37 HG SER 37 0.282 11.750 -2.831 276 H SER 38 H SER 38 -1.851 8.255 -2.334 277 HA SER 38 HA SER 38 -0.504 8.833 0.113 278 HB2 SER 38 1HB SER 38 -2.009 7.226 1.116 279 HB3 SER 38 2HB SER 38 -2.917 8.190 -0.049 280 HG SER 38 HG SER 38 -1.846 5.598 -0.499 281 H LEU 39 H LEU 39 -0.471 6.119 -2.152 282 HA LEU 39 HA LEU 39 1.392 4.607 -0.549 283 HB2 LEU 39 1HB LEU 39 0.522 4.140 -3.396 284 HB3 LEU 39 2HB LEU 39 1.332 2.987 -2.338 285 HG LEU 39 HG LEU 39 -1.407 4.091 -1.752 286 HD11 LEU 39 1HD1 LEU 39 -1.496 2.973 -3.906 287 HD12 LEU 39 2HD1 LEU 39 -2.298 2.003 -2.671 288 HD13 LEU 39 3HD1 LEU 39 -0.684 1.562 -3.226 289 HD21 LEU 39 1HD2 LEU 39 -1.008 1.492 -0.756 290 HD22 LEU 39 2HD2 LEU 39 -1.135 2.996 0.158 291 HD23 LEU 39 3HD2 LEU 39 0.446 2.409 -0.361 292 H LYS 40 H LYS 40 1.510 6.828 -3.226 293 HA LYS 40 HA LYS 40 3.826 6.369 -4.516 294 HB2 LYS 40 1HB LYS 40 2.631 8.311 -5.113 295 HB3 LYS 40 2HB LYS 40 2.705 8.962 -3.481 296 HG2 LYS 40 1HG LYS 40 5.215 9.125 -3.818 297 HG3 LYS 40 2HG LYS 40 4.897 8.814 -5.526 298 HD2 LYS 40 1HD LYS 40 3.346 10.956 -4.154 299 HD3 LYS 40 2HD LYS 40 5.030 11.273 -4.580 300 HE2 LYS 40 1HE LYS 40 4.500 10.589 -6.913 301 HE3 LYS 40 2HE LYS 40 2.806 10.455 -6.445 302 HZ1 LYS 40 1HZ LYS 40 2.705 12.763 -6.002 303 HZ2 LYS 40 2HZ LYS 40 3.444 12.600 -7.515 304 HZ3 LYS 40 3HZ LYS 40 4.381 12.950 -6.150 305 H ASN 41 H ASN 41 3.709 8.254 -1.486 306 HA ASN 41 HA ASN 41 6.359 8.642 -1.027 307 HB2 ASN 41 1HB ASN 41 4.070 8.111 0.835 308 HB3 ASN 41 2HB ASN 41 5.699 8.273 1.485 309 HD21 ASN 41 1HD2 ASN 41 4.803 10.121 2.599 310 HD22 ASN 41 2HD2 ASN 41 4.711 11.640 1.782 311 H GLY 42 H GLY 42 4.537 5.671 -0.463 312 HA2 GLY 42 1HA GLY 42 5.423 3.501 -0.559 313 HA3 GLY 42 2HA GLY 42 7.040 4.180 -0.451 314 H VAL 43 H VAL 43 6.251 5.839 1.889 315 HA VAL 43 HA VAL 43 7.110 4.137 3.929 316 HB VAL 43 HB VAL 43 7.370 6.501 4.198 317 HG11 VAL 43 1HG1 VAL 43 4.587 7.189 4.734 318 HG12 VAL 43 2HG1 VAL 43 5.800 8.036 3.772 319 HG13 VAL 43 3HG1 VAL 43 4.879 6.709 3.062 320 HG21 VAL 43 1HG2 VAL 43 6.234 6.848 6.429 321 HG22 VAL 43 2HG2 VAL 43 5.459 5.284 6.179 322 HG23 VAL 43 3HG2 VAL 43 7.216 5.390 6.284 323 H VAL 44 H VAL 44 3.879 4.970 2.834 324 HA VAL 44 HA VAL 44 2.441 3.913 5.017 325 HB VAL 44 HB VAL 44 1.581 4.176 2.132 326 HG11 VAL 44 1HG1 VAL 44 -0.545 3.629 2.716 327 HG12 VAL 44 2HG1 VAL 44 0.309 2.665 3.922 328 HG13 VAL 44 3HG1 VAL 44 -0.367 4.233 4.363 329 HG21 VAL 44 1HG2 VAL 44 1.769 6.069 4.396 330 HG22 VAL 44 2HG2 VAL 44 1.903 6.358 2.661 331 HG23 VAL 44 3HG2 VAL 44 0.315 6.163 3.402 332 H LEU 45 H LEU 45 3.478 2.478 1.946 333 HA LEU 45 HA LEU 45 2.223 -0.022 2.327 334 HB2 LEU 45 1HB LEU 45 4.648 0.709 0.694 335 HB3 LEU 45 2HB LEU 45 3.788 -0.825 0.589 336 HG LEU 45 HG LEU 45 2.283 1.703 0.101 337 HD11 LEU 45 1HD1 LEU 45 2.917 1.653 -2.256 338 HD12 LEU 45 2HD1 LEU 45 4.080 0.371 -1.921 339 HD13 LEU 45 3HD1 LEU 45 4.311 1.974 -1.224 340 HD21 LEU 45 1HD2 LEU 45 2.109 -1.174 -0.691 341 HD22 LEU 45 2HD2 LEU 45 1.310 0.063 -1.661 342 HD23 LEU 45 3HD2 LEU 45 0.885 -0.136 0.039 343 H CYS 46 H CYS 46 5.468 1.163 3.092 344 HA CYS 46 HA CYS 46 6.608 -1.245 3.918 345 HB2 CYS 46 1HB CYS 46 7.119 1.613 4.726 346 HB3 CYS 46 2HB CYS 46 8.064 0.279 5.378 347 HG CYS 46 HG CYS 46 7.805 0.730 2.011 348 H LYS 47 H LYS 47 4.725 1.135 5.740 349 HA LYS 47 HA LYS 47 4.981 -0.153 8.252 350 HB2 LYS 47 1HB LYS 47 3.049 1.882 7.160 351 HB3 LYS 47 2HB LYS 47 2.896 1.246 8.793 352 HG2 LYS 47 1HG LYS 47 5.126 2.068 9.333 353 HG3 LYS 47 2HG LYS 47 5.298 2.691 7.690 354 HD2 LYS 47 1HD LYS 47 3.518 4.257 8.030 355 HD3 LYS 47 2HD LYS 47 3.114 3.536 9.590 356 HE2 LYS 47 1HE LYS 47 5.534 4.138 10.242 357 HE3 LYS 47 2HE LYS 47 5.492 5.201 8.837 358 HZ1 LYS 47 1HZ LYS 47 3.215 5.445 10.596 359 HZ2 LYS 47 2HZ LYS 47 4.160 6.648 9.874 360 HZ3 LYS 47 3HZ LYS 47 4.685 5.900 11.298 361 H LEU 48 H LEU 48 2.919 -0.651 5.515 362 HA LEU 48 HA LEU 48 0.857 -2.079 6.862 363 HB2 LEU 48 1HB LEU 48 0.304 -1.150 4.772 364 HB3 LEU 48 2HB LEU 48 1.710 -1.870 3.991 365 HG LEU 48 HG LEU 48 0.607 -4.119 4.389 366 HD11 LEU 48 1HD1 LEU 48 -1.840 -2.418 4.827 367 HD12 LEU 48 2HD1 LEU 48 -0.983 -3.276 6.106 368 HD13 LEU 48 3HD1 LEU 48 -1.750 -4.179 4.800 369 HD21 LEU 48 1HD2 LEU 48 -0.078 -4.003 2.269 370 HD22 LEU 48 2HD2 LEU 48 0.405 -2.308 2.326 371 HD23 LEU 48 3HD2 LEU 48 -1.273 -2.758 2.633 372 H ILE 49 H ILE 49 3.102 -3.388 4.428 373 HA ILE 49 HA ILE 49 2.839 -6.038 4.906 374 HB ILE 49 HB ILE 49 4.295 -5.165 3.153 375 HG12 ILE 49 1HG1 ILE 49 6.312 -6.728 3.639 376 HG13 ILE 49 2HG1 ILE 49 5.441 -7.135 5.114 377 HG21 ILE 49 1HG2 ILE 49 5.341 -3.345 4.357 378 HG22 ILE 49 2HG2 ILE 49 6.177 -4.487 5.409 379 HG23 ILE 49 3HG2 ILE 49 6.579 -4.412 3.694 380 HD11 ILE 49 1HD1 ILE 49 4.425 -7.476 2.303 381 HD12 ILE 49 2HD1 ILE 49 4.997 -8.754 3.375 382 HD13 ILE 49 3HD1 ILE 49 3.530 -7.860 3.772 383 H ASN 50 H ASN 50 4.537 -3.731 6.910 384 HA ASN 50 HA ASN 50 5.917 -5.612 8.526 385 HB2 ASN 50 1HB ASN 50 5.267 -2.704 8.719 386 HB3 ASN 50 2HB ASN 50 5.800 -3.537 10.177 387 HD21 ASN 50 1HD2 ASN 50 7.199 -1.454 8.919 388 HD22 ASN 50 2HD2 ASN 50 8.701 -2.084 8.344 389 H ARG 51 H ARG 51 2.863 -3.846 8.958 390 HA ARG 51 HA ARG 51 2.236 -4.927 11.484 391 HB2 ARG 51 1HB ARG 51 1.186 -2.896 10.461 392 HB3 ARG 51 2HB ARG 51 0.291 -3.960 9.384 393 HG2 ARG 51 1HG ARG 51 -1.264 -3.626 11.015 394 HG3 ARG 51 2HG ARG 51 -0.468 -5.072 11.638 395 HD2 ARG 51 1HD ARG 51 1.063 -3.418 12.890 396 HD3 ARG 51 2HD ARG 51 -0.189 -2.227 12.539 397 HE ARG 51 HE ARG 51 -1.129 -4.660 13.783 398 HH11 ARG 51 1HH1 ARG 51 0.038 -1.414 14.258 399 HH12 ARG 51 2HH1 ARG 51 -0.671 -1.250 15.830 400 HH21 ARG 51 1HH2 ARG 51 -2.067 -4.455 15.852 401 HH22 ARG 51 2HH2 ARG 51 -1.867 -2.981 16.737 402 H LEU 52 H LEU 52 1.711 -6.072 8.218 403 HA LEU 52 HA LEU 52 -0.117 -8.150 8.943 404 HB2 LEU 52 1HB LEU 52 1.579 -8.078 6.465 405 HB3 LEU 52 2HB LEU 52 0.012 -8.852 6.693 406 HG LEU 52 HG LEU 52 0.444 -5.867 6.683 407 HD11 LEU 52 1HD1 LEU 52 0.933 -6.457 4.494 408 HD12 LEU 52 2HD1 LEU 52 -0.799 -6.133 4.438 409 HD13 LEU 52 3HD1 LEU 52 -0.214 -7.796 4.491 410 HD21 LEU 52 1HD2 LEU 52 -1.876 -7.656 7.083 411 HD22 LEU 52 2HD2 LEU 52 -2.135 -6.233 6.075 412 HD23 LEU 52 3HD2 LEU 52 -1.556 -6.047 7.731 413 H MET 53 H MET 53 3.359 -7.978 8.304 414 HA MET 53 HA MET 53 3.638 -10.610 9.585 415 HB2 MET 53 1HB MET 53 5.087 -9.645 7.114 416 HB3 MET 53 2HB MET 53 5.509 -11.100 8.008 417 HG2 MET 53 1HG MET 53 3.201 -11.942 7.566 418 HG3 MET 53 2HG MET 53 2.961 -10.551 6.512 419 HE1 MET 53 1HE MET 53 5.561 -14.239 5.720 420 HE2 MET 53 2HE MET 53 5.989 -13.171 7.057 421 HE3 MET 53 3HE MET 53 4.426 -13.990 7.047 422 HA PRO 54 HA PRO 54 6.457 -8.401 12.178 423 HB2 PRO 54 1HB PRO 54 7.578 -10.553 13.396 424 HB3 PRO 54 2HB PRO 54 5.955 -9.969 13.781 425 HG2 PRO 54 1HG PRO 54 6.781 -12.236 12.010 426 HG3 PRO 54 2HG PRO 54 5.467 -12.167 13.199 427 HD2 PRO 54 1HD PRO 54 5.042 -11.882 10.540 428 HD3 PRO 54 2HD PRO 54 4.054 -11.052 11.759 429 H GLY 55 H GLY 55 8.114 -7.449 11.127 430 HA2 GLY 55 1HA GLY 55 10.383 -7.277 10.590 431 HA3 GLY 55 2HA GLY 55 10.507 -9.029 10.654 432 H SER 56 H SER 56 8.650 -6.663 8.734 433 HA SER 56 HA SER 56 9.163 -8.277 6.352 434 HB2 SER 56 1HB SER 56 7.355 -5.871 6.684 435 HB3 SER 56 2HB SER 56 7.424 -6.941 5.284 436 HG SER 56 HG SER 56 6.919 -8.034 7.816 437 H VAL 57 H VAL 57 9.386 -4.878 7.390 438 HA VAL 57 HA VAL 57 11.348 -4.428 5.240 439 HB VAL 57 HB VAL 57 9.548 -2.494 6.694 440 HG11 VAL 57 1HG1 VAL 57 11.711 -1.846 4.694 441 HG12 VAL 57 2HG1 VAL 57 10.591 -0.703 5.438 442 HG13 VAL 57 3HG1 VAL 57 11.797 -1.528 6.426 443 HG21 VAL 57 1HG2 VAL 57 9.798 -3.285 3.794 444 HG22 VAL 57 2HG2 VAL 57 8.474 -3.691 4.886 445 HG23 VAL 57 3HG2 VAL 57 8.741 -2.014 4.408 446 H GLU 58 H GLU 58 13.403 -4.250 5.820 447 HA GLU 58 HA GLU 58 14.344 -4.405 8.428 448 HB2 GLU 58 1HB GLU 58 15.546 -4.702 6.109 449 HB3 GLU 58 2HB GLU 58 15.966 -3.010 6.336 450 HG2 GLU 58 1HG GLU 58 16.830 -3.748 8.639 451 HG3 GLU 58 2HG GLU 58 16.764 -5.380 7.977 452 H LYS 59 H LYS 59 13.995 -1.543 6.351 453 HA LYS 59 HA LYS 59 13.316 0.173 8.475 454 HB2 LYS 59 1HB LYS 59 15.256 1.377 8.922 455 HB3 LYS 59 2HB LYS 59 15.843 -0.279 8.833 456 HG2 LYS 59 1HG LYS 59 17.412 0.742 7.551 457 HG3 LYS 59 2HG LYS 59 16.224 0.371 6.300 458 HD2 LYS 59 1HD LYS 59 15.578 2.554 6.074 459 HD3 LYS 59 2HD LYS 59 15.970 2.956 7.748 460 HE2 LYS 59 1HE LYS 59 18.403 2.671 7.097 461 HE3 LYS 59 2HE LYS 59 17.853 2.626 5.422 462 HZ1 LYS 59 1HZ LYS 59 18.237 4.868 7.121 463 HZ2 LYS 59 2HZ LYS 59 16.649 4.835 6.539 464 HZ3 LYS 59 3HZ LYS 59 17.947 4.827 5.455 465 H PHE 60 H PHE 60 12.230 1.830 7.624 466 HA PHE 60 HA PHE 60 12.862 2.645 4.865 467 HB2 PHE 60 1HB PHE 60 10.423 3.049 4.539 468 HB3 PHE 60 2HB PHE 60 10.823 1.353 4.790 469 HD1 PHE 60 2HD PHE 60 10.648 0.513 7.258 470 HD2 PHE 60 1HD PHE 60 8.712 3.992 5.752 471 HE1 PHE 60 2HE PHE 60 9.023 0.403 9.102 472 HE2 PHE 60 1HE PHE 60 7.084 3.888 7.595 473 HZ PHE 60 HZ PHE 60 7.237 2.091 9.272 474 H CYS 61 H CYS 61 11.386 4.788 4.477 475 HA CYS 61 HA CYS 61 12.288 6.643 6.567 476 HB2 CYS 61 1HB CYS 61 12.908 6.781 3.997 477 HB3 CYS 61 2HB CYS 61 11.346 7.585 3.894 478 HG CYS 61 HG CYS 61 13.019 9.685 4.001 479 H LEU 62 H LEU 62 10.802 7.368 7.926 480 HA LEU 62 HA LEU 62 8.012 7.004 7.494 481 HB2 LEU 62 1HB LEU 62 9.569 8.513 9.581 482 HB3 LEU 62 2HB LEU 62 7.811 8.386 9.593 483 HG LEU 62 HG LEU 62 9.677 6.022 9.732 484 HD11 LEU 62 1HD1 LEU 62 8.309 6.347 12.153 485 HD12 LEU 62 2HD1 LEU 62 8.965 7.934 11.749 486 HD13 LEU 62 3HD1 LEU 62 10.037 6.538 11.857 487 HD21 LEU 62 1HD2 LEU 62 7.596 5.307 8.904 488 HD22 LEU 62 2HD2 LEU 62 6.703 6.371 9.992 489 HD23 LEU 62 3HD2 LEU 62 7.549 4.962 10.633 490 H ASP 63 H ASP 63 10.200 9.759 7.282 491 HA ASP 63 HA ASP 63 8.063 11.254 5.925 492 HB2 ASP 63 1HB ASP 63 8.555 11.999 8.348 493 HB3 ASP 63 2HB ASP 63 10.066 12.630 7.699 494 HA PRO 64 HA PRO 64 11.761 11.030 3.204 495 HB2 PRO 64 1HB PRO 64 10.321 10.840 0.911 496 HB3 PRO 64 2HB PRO 64 10.718 9.440 1.915 497 HG2 PRO 64 1HG PRO 64 8.179 11.021 1.788 498 HG3 PRO 64 2HG PRO 64 8.399 9.264 1.871 499 HD2 PRO 64 1HD PRO 64 7.758 10.756 4.038 500 HD3 PRO 64 2HD PRO 64 8.753 9.290 4.149 501 H GLN 65 H GLN 65 12.437 13.140 3.452 502 HA GLN 65 HA GLN 65 10.927 15.417 2.762 503 HB2 GLN 65 1HB GLN 65 13.153 15.115 4.164 504 HB3 GLN 65 2HB GLN 65 13.906 15.482 2.618 505 HG2 GLN 65 1HG GLN 65 11.887 17.214 4.025 506 HG3 GLN 65 2HG GLN 65 13.632 17.466 4.026 507 HE21 GLN 65 1HE2 GLN 65 14.660 17.900 1.978 508 HE22 GLN 65 2HE2 GLN 65 13.775 18.709 0.734 509 H THR 66 H THR 66 13.173 13.414 0.946 510 HA THR 66 HA THR 66 12.523 14.980 -1.467 511 HB THR 66 HB THR 66 14.681 14.268 -2.414 512 HG1 THR 66 1HG THR 66 16.033 12.989 -1.309 513 HG21 THR 66 1HG2 THR 66 14.775 15.705 0.235 514 HG22 THR 66 2HG2 THR 66 14.682 16.413 -1.377 515 HG23 THR 66 3HG2 THR 66 16.155 15.596 -0.856 516 H GLU 67 H GLU 67 12.797 13.648 -3.516 517 HA GLU 67 HA GLU 67 10.998 11.510 -3.491 518 HB2 GLU 67 1HB GLU 67 11.403 12.798 -5.504 519 HB3 GLU 67 2HB GLU 67 13.078 12.265 -5.548 520 HG2 GLU 67 1HG GLU 67 12.131 9.900 -5.734 521 HG3 GLU 67 2HG GLU 67 10.596 10.684 -6.106 522 H ALA 68 H ALA 68 14.543 11.473 -3.806 523 HA ALA 68 HA ALA 68 15.050 8.816 -4.095 524 HB1 ALA 68 1HB ALA 68 17.184 9.336 -3.630 525 HB2 ALA 68 2HB ALA 68 16.583 10.993 -3.575 526 HB3 ALA 68 3HB ALA 68 16.774 10.075 -2.081 527 H ASP 69 H ASP 69 14.016 10.460 -1.173 528 HA ASP 69 HA ASP 69 14.462 8.247 0.575 529 HB2 ASP 69 1HB ASP 69 13.021 10.865 0.788 530 HB3 ASP 69 2HB ASP 69 12.762 9.631 2.019 531 H CYS 70 H CYS 70 11.737 9.417 -1.315 532 HA CYS 70 HA CYS 70 9.774 7.727 -0.184 533 HB2 CYS 70 1HB CYS 70 9.962 9.161 -2.830 534 HB3 CYS 70 2HB CYS 70 8.568 8.180 -2.393 535 HG CYS 70 HG CYS 70 9.358 11.271 -1.464 536 H ILE 71 H ILE 71 11.514 7.461 -3.288 537 HA ILE 71 HA ILE 71 10.589 5.047 -4.164 538 HB ILE 71 HB ILE 71 13.430 6.055 -4.338 539 HG12 ILE 71 1HG1 ILE 71 11.748 7.574 -5.299 540 HG13 ILE 71 2HG1 ILE 71 12.762 6.864 -6.551 541 HG21 ILE 71 1HG2 ILE 71 12.072 3.683 -5.500 542 HG22 ILE 71 2HG2 ILE 71 13.224 4.557 -6.509 543 HG23 ILE 71 3HG2 ILE 71 13.740 3.883 -4.963 544 HD11 ILE 71 1HD1 ILE 71 10.456 6.926 -7.259 545 HD12 ILE 71 2HD1 ILE 71 10.982 5.255 -7.051 546 HD13 ILE 71 3HD1 ILE 71 9.967 6.019 -5.828 547 H ASN 72 H ASN 72 13.220 5.586 -1.846 548 HA ASN 72 HA ASN 72 14.096 2.989 -1.505 549 HB2 ASN 72 1HB ASN 72 13.913 5.305 0.413 550 HB3 ASN 72 2HB ASN 72 14.603 3.760 0.899 551 HD21 ASN 72 1HD2 ASN 72 16.042 6.127 0.918 552 HD22 ASN 72 2HD2 ASN 72 17.288 6.034 -0.275 553 H ASN 73 H ASN 73 11.254 4.567 -0.171 554 HA ASN 73 HA ASN 73 10.585 2.500 1.664 555 HB2 ASN 73 1HB ASN 73 8.844 4.636 0.413 556 HB3 ASN 73 2HB ASN 73 8.383 3.622 1.777 557 HD21 ASN 73 1HD2 ASN 73 8.304 6.314 2.029 558 HD22 ASN 73 2HD2 ASN 73 9.565 6.854 3.080 559 H ILE 74 H ILE 74 9.352 3.353 -1.563 560 HA ILE 74 HA ILE 74 7.453 1.366 -1.852 561 HB ILE 74 HB ILE 74 9.240 2.636 -3.920 562 HG12 ILE 74 1HG1 ILE 74 6.289 3.018 -3.402 563 HG13 ILE 74 2HG1 ILE 74 7.534 4.020 -2.664 564 HG21 ILE 74 1HG2 ILE 74 7.176 1.732 -5.377 565 HG22 ILE 74 2HG2 ILE 74 8.684 0.842 -5.173 566 HG23 ILE 74 3HG2 ILE 74 7.284 0.443 -4.178 567 HD11 ILE 74 1HD1 ILE 74 6.602 3.914 -5.479 568 HD12 ILE 74 2HD1 ILE 74 6.972 5.304 -4.457 569 HD13 ILE 74 3HD1 ILE 74 8.280 4.352 -5.158 570 H ASN 75 H ASN 75 10.903 1.226 -2.713 571 HA ASN 75 HA ASN 75 10.894 -1.408 -3.683 572 HB2 ASN 75 1HB ASN 75 12.981 0.486 -2.712 573 HB3 ASN 75 2HB ASN 75 13.421 -1.212 -2.863 574 HD21 ASN 75 1HD2 ASN 75 12.984 1.718 -4.471 575 HD22 ASN 75 2HD2 ASN 75 13.180 1.144 -6.089 576 H ASP 76 H ASP 76 11.302 -0.103 -0.440 577 HA ASP 76 HA ASP 76 12.186 -2.405 0.866 578 HB2 ASP 76 1HB ASP 76 10.687 0.037 1.733 579 HB3 ASP 76 2HB ASP 76 10.870 -1.304 2.860 580 H PHE 77 H PHE 77 8.862 -1.224 0.396 581 HA PHE 77 HA PHE 77 7.502 -3.237 1.721 582 HB2 PHE 77 1HB PHE 77 6.245 -1.366 1.001 583 HB3 PHE 77 2HB PHE 77 6.759 -1.564 -0.671 584 HD1 PHE 77 1HD PHE 77 5.108 -3.695 1.915 585 HD2 PHE 77 2HD PHE 77 5.099 -2.243 -2.086 586 HE1 PHE 77 1HE PHE 77 3.074 -4.999 1.450 587 HE2 PHE 77 2HE PHE 77 3.065 -3.544 -2.557 588 HZ PHE 77 HZ PHE 77 2.049 -4.924 -0.788 589 H LEU 78 H LEU 78 8.834 -3.207 -1.534 590 HA LEU 78 HA LEU 78 7.629 -5.522 -2.530 591 HB2 LEU 78 1HB LEU 78 10.355 -4.373 -3.110 592 HB3 LEU 78 2HB LEU 78 9.576 -5.637 -4.060 593 HG LEU 78 HG LEU 78 8.515 -2.832 -3.721 594 HD11 LEU 78 1HD1 LEU 78 10.714 -3.222 -5.037 595 HD12 LEU 78 2HD1 LEU 78 9.427 -2.262 -5.766 596 HD13 LEU 78 3HD1 LEU 78 9.657 -3.942 -6.251 597 HD21 LEU 78 1HD2 LEU 78 7.212 -5.172 -4.480 598 HD22 LEU 78 2HD2 LEU 78 7.579 -4.346 -5.995 599 HD23 LEU 78 3HD2 LEU 78 6.660 -3.517 -4.738 600 H LYS 79 H LYS 79 10.857 -5.178 -1.049 601 HA LYS 79 HA LYS 79 11.824 -7.669 -1.032 602 HB2 LYS 79 1HB LYS 79 11.847 -5.526 1.029 603 HB3 LYS 79 2HB LYS 79 12.415 -7.116 1.519 604 HG2 LYS 79 1HG LYS 79 14.379 -6.229 0.819 605 HG3 LYS 79 2HG LYS 79 13.818 -6.899 -0.715 606 HD2 LYS 79 1HD LYS 79 14.342 -4.788 -1.404 607 HD3 LYS 79 2HD LYS 79 12.671 -4.514 -0.905 608 HE2 LYS 79 1HE LYS 79 14.013 -2.755 0.001 609 HE3 LYS 79 2HE LYS 79 13.530 -3.811 1.328 610 HZ1 LYS 79 1HZ LYS 79 15.930 -3.075 1.277 611 HZ2 LYS 79 2HZ LYS 79 16.133 -4.105 -0.050 612 HZ3 LYS 79 3HZ LYS 79 15.664 -4.738 1.448 613 H GLY 80 H GLY 80 9.403 -6.527 1.320 614 HA2 GLY 80 1HA GLY 80 9.075 -9.140 2.471 615 HA3 GLY 80 2HA GLY 80 8.100 -7.718 2.813 616 H CYS 81 H CYS 81 7.556 -7.353 -0.100 617 HA CYS 81 HA CYS 81 5.099 -8.684 -0.224 618 HB2 CYS 81 1HB CYS 81 4.780 -7.607 -2.230 619 HB3 CYS 81 2HB CYS 81 6.073 -6.619 -1.561 620 HG CYS 81 HG CYS 81 8.035 -7.449 -3.172 621 H ALA 82 H ALA 82 8.255 -9.518 -1.552 622 HA ALA 82 HA ALA 82 7.542 -11.606 -3.235 623 HB1 ALA 82 1HB ALA 82 9.745 -11.146 -3.485 624 HB2 ALA 82 2HB ALA 82 9.992 -10.843 -1.765 625 HB3 ALA 82 3HB ALA 82 9.904 -12.499 -2.365 626 H THR 83 H THR 83 7.937 -11.560 0.258 627 HA THR 83 HA THR 83 7.968 -14.300 0.768 628 HB THR 83 HB THR 83 6.785 -12.084 2.452 629 HG1 THR 83 1HG THR 83 8.846 -12.340 3.541 630 HG21 THR 83 1HG2 THR 83 5.923 -13.814 3.621 631 HG22 THR 83 2HG2 THR 83 7.577 -13.997 4.204 632 HG23 THR 83 3HG2 THR 83 6.998 -14.991 2.868 633 H LEU 84 H LEU 84 5.350 -12.197 -0.128 634 HA LEU 84 HA LEU 84 3.338 -14.200 0.528 635 HB2 LEU 84 1HB LEU 84 3.097 -11.440 -0.658 636 HB3 LEU 84 2HB LEU 84 1.736 -12.493 -0.280 637 HG LEU 84 HG LEU 84 3.668 -11.661 1.856 638 HD11 LEU 84 1HD1 LEU 84 2.724 -9.624 2.165 639 HD12 LEU 84 2HD1 LEU 84 1.166 -10.119 1.505 640 HD13 LEU 84 3HD1 LEU 84 2.504 -9.743 0.419 641 HD21 LEU 84 1HD2 LEU 84 1.877 -13.496 2.079 642 HD22 LEU 84 2HD2 LEU 84 0.722 -12.162 2.094 643 HD23 LEU 84 3HD2 LEU 84 1.973 -12.261 3.334 644 H GLN 85 H GLN 85 5.399 -13.572 -1.991 645 HA GLN 85 HA GLN 85 5.416 -14.031 -4.236 646 HB2 GLN 85 1HB GLN 85 3.811 -16.376 -3.204 647 HB3 GLN 85 2HB GLN 85 4.620 -16.310 -4.765 648 HG2 GLN 85 1HG GLN 85 6.777 -16.111 -3.645 649 HG3 GLN 85 2HG GLN 85 5.970 -16.166 -2.079 650 HE21 GLN 85 1HE2 GLN 85 6.017 -18.064 -1.135 651 HE22 GLN 85 2HE2 GLN 85 6.083 -19.600 -1.923 652 H VAL 86 H VAL 86 3.617 -12.097 -3.914 653 HA VAL 86 HA VAL 86 1.320 -12.948 -5.557 654 HB VAL 86 HB VAL 86 0.085 -11.007 -4.583 655 HG11 VAL 86 1HG1 VAL 86 0.190 -12.216 -2.143 656 HG12 VAL 86 2HG1 VAL 86 -0.747 -12.800 -3.520 657 HG13 VAL 86 3HG1 VAL 86 0.852 -13.468 -3.192 658 HG21 VAL 86 1HG2 VAL 86 1.096 -9.518 -3.281 659 HG22 VAL 86 2HG2 VAL 86 1.605 -10.783 -2.162 660 HG23 VAL 86 3HG2 VAL 86 2.618 -10.368 -3.545 661 H GLU 87 H GLU 87 0.304 -10.734 -6.504 662 HA GLU 87 HA GLU 87 1.964 -9.936 -8.572 663 HB2 GLU 87 1HB GLU 87 -0.283 -8.276 -7.425 664 HB3 GLU 87 2HB GLU 87 0.334 -8.236 -9.071 665 HG2 GLU 87 1HG GLU 87 -1.524 -9.499 -9.388 666 HG3 GLU 87 2HG GLU 87 -0.360 -10.774 -9.033 667 H ILE 88 H ILE 88 3.185 -8.094 -8.994 668 HA ILE 88 HA ILE 88 3.749 -6.318 -6.727 669 HB ILE 88 HB ILE 88 6.192 -6.391 -7.395 670 HG12 ILE 88 1HG1 ILE 88 5.620 -9.108 -8.519 671 HG13 ILE 88 2HG1 ILE 88 5.492 -7.699 -9.566 672 HG21 ILE 88 1HG2 ILE 88 6.671 -8.244 -5.968 673 HG22 ILE 88 2HG2 ILE 88 5.200 -7.475 -5.374 674 HG23 ILE 88 3HG2 ILE 88 5.100 -8.974 -6.297 675 HD11 ILE 88 1HD1 ILE 88 7.822 -9.120 -8.701 676 HD12 ILE 88 2HD1 ILE 88 7.668 -7.850 -9.915 677 HD13 ILE 88 3HD1 ILE 88 7.927 -7.426 -8.223 678 H PHE 89 H PHE 89 5.511 -4.619 -7.670 679 HA PHE 89 HA PHE 89 4.907 -3.836 -10.391 680 HB2 PHE 89 1HB PHE 89 4.190 -1.528 -9.647 681 HB3 PHE 89 2HB PHE 89 3.025 -2.812 -9.343 682 HD1 PHE 89 1HD PHE 89 5.709 -0.831 -7.715 683 HD2 PHE 89 2HD PHE 89 2.174 -3.147 -7.207 684 HE1 PHE 89 1HE PHE 89 5.637 -0.193 -5.340 685 HE2 PHE 89 2HE PHE 89 2.095 -2.511 -4.832 686 HZ PHE 89 HZ PHE 89 3.827 -1.032 -3.895 687 H ASP 90 H ASP 90 5.933 -1.458 -10.659 688 HA ASP 90 HA ASP 90 8.679 -1.739 -9.667 689 HB2 ASP 90 1HB ASP 90 7.457 -0.598 -12.128 690 HB3 ASP 90 2HB ASP 90 8.934 0.157 -11.535 691 HA PRO 91 HA PRO 91 8.499 1.840 -7.138 692 HB2 PRO 91 1HB PRO 91 10.971 2.902 -7.497 693 HB3 PRO 91 2HB PRO 91 10.687 1.421 -6.575 694 HG2 PRO 91 1HG PRO 91 11.613 1.743 -9.404 695 HG3 PRO 91 2HG PRO 91 12.201 0.632 -8.153 696 HD2 PRO 91 1HD PRO 91 10.501 -0.147 -10.112 697 HD3 PRO 91 2HD PRO 91 10.472 -0.856 -8.484 698 H ASP 92 H ASP 92 8.837 2.097 -10.506 699 HA ASP 92 HA ASP 92 8.636 5.024 -10.453 700 HB2 ASP 92 1HB ASP 92 9.083 3.168 -12.800 701 HB3 ASP 92 2HB ASP 92 9.105 4.928 -12.857 702 H ASP 93 H ASP 93 6.872 2.127 -11.216 703 HA ASP 93 HA ASP 93 4.798 3.345 -12.730 704 HB2 ASP 93 1HB ASP 93 4.817 0.759 -11.158 705 HB3 ASP 93 2HB ASP 93 3.558 1.241 -12.293 706 H LEU 94 H LEU 94 5.151 2.516 -9.305 707 HA LEU 94 HA LEU 94 2.541 3.349 -8.556 708 HB2 LEU 94 1HB LEU 94 3.585 1.852 -7.095 709 HB3 LEU 94 2HB LEU 94 5.074 2.794 -7.053 710 HG LEU 94 HG LEU 94 4.010 4.474 -5.669 711 HD11 LEU 94 1HD1 LEU 94 1.664 3.657 -6.770 712 HD12 LEU 94 2HD1 LEU 94 1.803 4.672 -5.334 713 HD13 LEU 94 3HD1 LEU 94 1.569 2.932 -5.164 714 HD21 LEU 94 1HD2 LEU 94 4.745 1.972 -4.871 715 HD22 LEU 94 2HD2 LEU 94 3.122 2.105 -4.194 716 HD23 LEU 94 3HD2 LEU 94 4.349 3.306 -3.787 717 H TYR 95 H TYR 95 5.729 4.903 -8.347 718 HA TYR 95 HA TYR 95 4.838 7.290 -7.149 719 HB2 TYR 95 1HB TYR 95 7.251 6.358 -7.474 720 HB3 TYR 95 2HB TYR 95 7.192 7.215 -9.010 721 HD1 TYR 95 1HD TYR 95 5.802 9.677 -8.384 722 HD2 TYR 95 2HD TYR 95 8.659 7.539 -6.067 723 HE1 TYR 95 1HE TYR 95 6.434 11.765 -7.248 724 HE2 TYR 95 2HE TYR 95 9.297 9.621 -4.923 725 HH TYR 95 HH TYR 95 7.496 12.564 -5.322 726 H SER 96 H SER 96 5.934 6.870 -10.518 727 HA SER 96 HA SER 96 4.894 9.285 -11.461 728 HB2 SER 96 1HB SER 96 5.358 6.728 -13.016 729 HB3 SER 96 2HB SER 96 5.186 8.340 -13.709 730 HG SER 96 HG SER 96 7.177 7.706 -11.801 731 H GLY 97 H GLY 97 3.503 6.012 -11.572 732 HA2 GLY 97 1HA GLY 97 1.171 5.627 -11.212 733 HA3 GLY 97 2HA GLY 97 0.846 7.250 -11.803 734 H VAL 98 H VAL 98 2.951 4.889 -13.353 735 HA VAL 98 HA VAL 98 1.550 5.200 -15.840 736 HB VAL 98 HB VAL 98 3.812 3.342 -15.090 737 HG11 VAL 98 1HG1 VAL 98 3.172 2.292 -16.978 738 HG12 VAL 98 2HG1 VAL 98 2.239 3.674 -17.557 739 HG13 VAL 98 3HG1 VAL 98 3.990 3.638 -17.769 740 HG21 VAL 98 1HG2 VAL 98 4.382 5.514 -16.933 741 HG22 VAL 98 2HG2 VAL 98 3.831 6.091 -15.361 742 HG23 VAL 98 3HG2 VAL 98 5.231 5.024 -15.467 743 H ASN 99 H ASN 99 2.154 2.444 -13.661 744 HA ASN 99 HA ASN 99 -0.245 1.158 -14.790 745 HB2 ASN 99 1HB ASN 99 2.461 0.062 -14.204 746 HB3 ASN 99 2HB ASN 99 1.077 -0.981 -13.886 747 HD21 ASN 99 1HD2 ASN 99 3.320 -0.776 -15.985 748 HD22 ASN 99 2HD2 ASN 99 2.481 -1.020 -17.476 749 H PHE 100 H PHE 100 -1.534 2.099 -13.149 750 HA PHE 100 HA PHE 100 -0.946 1.637 -10.376 751 HB2 PHE 100 1HB PHE 100 -2.223 3.622 -11.238 752 HB3 PHE 100 2HB PHE 100 -3.561 2.535 -11.597 753 HD1 PHE 100 2HD PHE 100 -1.289 3.255 -8.720 754 HD2 PHE 100 1HD PHE 100 -5.258 2.512 -10.067 755 HE1 PHE 100 2HE PHE 100 -2.117 3.524 -6.419 756 HE2 PHE 100 1HE PHE 100 -6.092 2.780 -7.768 757 HZ PHE 100 HZ PHE 100 -4.521 3.286 -5.940 758 H SER 101 H SER 101 -3.275 0.341 -12.719 759 HA SER 101 HA SER 101 -4.855 -1.270 -11.261 760 HB2 SER 101 1HB SER 101 -3.450 -2.057 -13.826 761 HB3 SER 101 2HB SER 101 -4.863 -2.875 -13.158 762 HG SER 101 HG SER 101 -5.694 -0.512 -13.213 763 H LYS 102 H LYS 102 -1.446 -1.776 -11.868 764 HA LYS 102 HA LYS 102 -1.343 -4.436 -10.843 765 HB2 LYS 102 1HB LYS 102 0.764 -2.350 -11.388 766 HB3 LYS 102 2HB LYS 102 1.157 -3.924 -10.710 767 HG2 LYS 102 1HG LYS 102 0.241 -5.021 -12.677 768 HG3 LYS 102 2HG LYS 102 -0.204 -3.453 -13.355 769 HD2 LYS 102 1HD LYS 102 1.805 -3.884 -14.416 770 HD3 LYS 102 2HD LYS 102 2.320 -2.902 -13.043 771 HE2 LYS 102 1HE LYS 102 2.567 -5.221 -11.860 772 HE3 LYS 102 2HE LYS 102 2.640 -5.834 -13.512 773 HZ1 LYS 102 1HZ LYS 102 4.790 -5.090 -12.236 774 HZ2 LYS 102 2HZ LYS 102 4.346 -3.562 -12.808 775 HZ3 LYS 102 3HZ LYS 102 4.626 -4.824 -13.899 776 H VAL 103 H VAL 103 -0.389 -1.276 -9.503 777 HA VAL 103 HA VAL 103 0.445 -2.152 -6.996 778 HB VAL 103 HB VAL 103 -0.895 0.468 -7.686 779 HG11 VAL 103 1HG1 VAL 103 -0.415 -0.506 -5.179 780 HG12 VAL 103 2HG1 VAL 103 1.058 0.409 -5.509 781 HG13 VAL 103 3HG1 VAL 103 -0.515 1.202 -5.604 782 HG21 VAL 103 1HG2 VAL 103 1.759 0.990 -7.405 783 HG22 VAL 103 2HG2 VAL 103 1.796 -0.613 -8.138 784 HG23 VAL 103 3HG2 VAL 103 0.951 0.707 -8.947 785 H LEU 104 H LEU 104 -2.786 -1.408 -8.186 786 HA LEU 104 HA LEU 104 -4.102 -1.514 -5.683 787 HB2 LEU 104 1HB LEU 104 -4.991 -0.512 -7.806 788 HB3 LEU 104 2HB LEU 104 -5.284 -2.153 -8.379 789 HG LEU 104 HG LEU 104 -6.870 -2.503 -6.542 790 HD11 LEU 104 1HD1 LEU 104 -5.978 0.246 -5.789 791 HD12 LEU 104 2HD1 LEU 104 -6.212 -1.176 -4.774 792 HD13 LEU 104 3HD1 LEU 104 -7.609 -0.296 -5.392 793 HD21 LEU 104 1HD2 LEU 104 -8.609 -0.912 -7.333 794 HD22 LEU 104 2HD2 LEU 104 -7.761 -1.746 -8.636 795 HD23 LEU 104 3HD2 LEU 104 -7.362 -0.071 -8.253 796 H SER 105 H SER 105 -3.525 -3.939 -8.201 797 HA SER 105 HA SER 105 -4.979 -6.015 -6.924 798 HB2 SER 105 1HB SER 105 -4.080 -7.463 -8.587 799 HB3 SER 105 2HB SER 105 -4.309 -5.904 -9.377 800 HG SER 105 HG SER 105 -2.161 -5.567 -9.375 801 H THR 106 H THR 106 -1.522 -5.215 -7.052 802 HA THR 106 HA THR 106 -0.455 -7.333 -5.666 803 HB THR 106 HB THR 106 0.348 -4.424 -5.584 804 HG1 THR 106 1HG THR 106 2.035 -5.316 -6.978 805 HG21 THR 106 1HG2 THR 106 1.503 -6.805 -4.219 806 HG22 THR 106 2HG2 THR 106 1.434 -5.124 -3.691 807 HG23 THR 106 3HG2 THR 106 2.611 -5.619 -4.908 808 H LEU 107 H LEU 107 -1.760 -4.323 -4.283 809 HA LEU 107 HA LEU 107 -1.351 -5.102 -1.584 810 HB2 LEU 107 1HB LEU 107 -2.979 -2.979 -2.929 811 HB3 LEU 107 2HB LEU 107 -3.117 -3.255 -1.194 812 HG LEU 107 HG LEU 107 -0.552 -2.544 -2.614 813 HD11 LEU 107 1HD1 LEU 107 -1.135 -0.408 -2.538 814 HD12 LEU 107 2HD1 LEU 107 -1.523 -0.536 -0.822 815 HD13 LEU 107 3HD1 LEU 107 -2.753 -0.896 -2.033 816 HD21 LEU 107 1HD2 LEU 107 0.252 -2.094 -0.335 817 HD22 LEU 107 2HD2 LEU 107 -0.194 -3.786 -0.563 818 HD23 LEU 107 3HD2 LEU 107 -1.275 -2.698 0.310 819 H LEU 108 H LEU 108 -4.032 -5.419 -3.835 820 HA LEU 108 HA LEU 108 -6.037 -6.167 -2.035 821 HB2 LEU 108 1HB LEU 108 -5.543 -6.586 -4.937 822 HB3 LEU 108 2HB LEU 108 -6.807 -7.539 -4.162 823 HG LEU 108 HG LEU 108 -6.720 -4.529 -4.082 824 HD11 LEU 108 1HD1 LEU 108 -7.490 -6.327 -6.235 825 HD12 LEU 108 2HD1 LEU 108 -7.242 -4.582 -6.248 826 HD13 LEU 108 3HD1 LEU 108 -8.794 -5.248 -5.739 827 HD21 LEU 108 1HD2 LEU 108 -8.738 -4.613 -3.042 828 HD22 LEU 108 2HD2 LEU 108 -8.076 -6.139 -2.455 829 HD23 LEU 108 3HD2 LEU 108 -9.200 -6.130 -3.815 830 H ALA 109 H ALA 109 -3.720 -8.170 -3.837 831 HA ALA 109 HA ALA 109 -4.608 -10.668 -2.957 832 HB1 ALA 109 1HB ALA 109 -2.735 -9.879 -4.698 833 HB2 ALA 109 2HB ALA 109 -1.698 -10.331 -3.344 834 HB3 ALA 109 3HB ALA 109 -2.809 -11.513 -4.037 835 H VAL 110 H VAL 110 -2.058 -8.576 -1.617 836 HA VAL 110 HA VAL 110 -1.184 -10.161 0.458 837 HB VAL 110 HB VAL 110 -1.535 -7.160 0.464 838 HG11 VAL 110 1HG1 VAL 110 0.610 -8.232 2.098 839 HG12 VAL 110 2HG1 VAL 110 -0.642 -7.056 2.505 840 HG13 VAL 110 3HG1 VAL 110 -0.977 -8.783 2.634 841 HG21 VAL 110 1HG2 VAL 110 0.316 -8.947 -0.853 842 HG22 VAL 110 2HG2 VAL 110 0.094 -7.209 -1.055 843 HG23 VAL 110 3HG2 VAL 110 1.155 -7.821 0.214 844 H ASN 111 H ASN 111 -3.861 -7.813 0.537 845 HA ASN 111 HA ASN 111 -4.614 -8.197 3.195 846 HB2 ASN 111 1HB ASN 111 -5.640 -6.359 2.244 847 HB3 ASN 111 2HB ASN 111 -6.009 -7.206 0.745 848 HD21 ASN 111 1HD2 ASN 111 -7.053 -6.452 3.937 849 HD22 ASN 111 2HD2 ASN 111 -8.630 -7.147 3.817 850 H LYS 112 H LYS 112 -5.493 -9.972 0.282 851 HA LYS 112 HA LYS 112 -7.441 -11.618 1.590 852 HB2 LYS 112 1HB LYS 112 -6.067 -11.783 -1.090 853 HB3 LYS 112 2HB LYS 112 -7.226 -12.988 -0.546 854 HG2 LYS 112 1HG LYS 112 -8.702 -10.817 -0.139 855 HG3 LYS 112 2HG LYS 112 -7.657 -10.193 -1.417 856 HD2 LYS 112 1HD LYS 112 -8.405 -11.762 -2.964 857 HD3 LYS 112 2HD LYS 112 -9.004 -12.853 -1.713 858 HE2 LYS 112 1HE LYS 112 -10.218 -10.144 -1.956 859 HE3 LYS 112 2HE LYS 112 -10.648 -11.372 -3.146 860 HZ1 LYS 112 1HZ LYS 112 -12.201 -11.395 -1.321 861 HZ2 LYS 112 2HZ LYS 112 -10.951 -11.606 -0.201 862 HZ3 LYS 112 3HZ LYS 112 -11.306 -12.831 -1.312 863 H ALA 113 H ALA 113 -4.020 -11.689 1.207 864 HA ALA 113 HA ALA 113 -3.798 -14.522 1.810 865 HB1 ALA 113 1HB ALA 113 -1.942 -12.378 0.971 866 HB2 ALA 113 2HB ALA 113 -1.265 -13.681 1.949 867 HB3 ALA 113 3HB ALA 113 -2.070 -14.051 0.425 868 H THR 114 H THR 114 -3.881 -11.532 3.486 869 HA THR 114 HA THR 114 -2.748 -12.761 5.905 870 HB THR 114 HB THR 114 -2.789 -10.380 6.794 871 HG1 THR 114 1HG THR 114 -4.200 -9.880 4.728 872 HG21 THR 114 1HG2 THR 114 -1.046 -11.435 4.636 873 HG22 THR 114 2HG2 THR 114 -0.646 -10.974 6.291 874 HG23 THR 114 3HG2 THR 114 -0.869 -9.732 5.058 875 H GLU 115 H GLU 115 -5.676 -12.120 4.447 876 HA GLU 115 HA GLU 115 -7.305 -11.165 6.487 877 HB2 GLU 115 1HB GLU 115 -9.135 -11.907 5.223 878 HB3 GLU 115 2HB GLU 115 -7.880 -11.612 4.028 879 HG2 GLU 115 1HG GLU 115 -7.351 -14.053 4.103 880 HG3 GLU 115 2HG GLU 115 -8.775 -14.266 5.120 881 H SER 116 H SER 116 -8.274 -12.040 8.238 882 HA SER 116 HA SER 116 -7.216 -14.466 9.302 883 HB2 SER 116 1HB SER 116 -8.422 -13.960 11.267 884 HB3 SER 116 2HB SER 116 -7.998 -12.385 10.596 885 HG SER 116 HG SER 116 -10.412 -13.336 11.145 886 H GLY 117 H GLY 117 -7.900 -16.469 8.959 887 HA2 GLY 117 1HA GLY 117 -10.658 -17.176 8.849 888 HA3 GLY 117 2HA GLY 117 -9.942 -17.196 7.244 889 HA PRO 118 HA PRO 118 -9.325 -21.371 9.162 890 HB2 PRO 118 1HB PRO 118 -10.113 -22.756 6.963 891 HB3 PRO 118 2HB PRO 118 -11.245 -22.181 8.193 892 HG2 PRO 118 1HG PRO 118 -10.565 -20.983 5.535 893 HG3 PRO 118 2HG PRO 118 -12.152 -21.173 6.303 894 HD2 PRO 118 1HD PRO 118 -10.803 -18.825 6.310 895 HD3 PRO 118 2HD PRO 118 -11.866 -19.319 7.643 896 H SER 119 H SER 119 -7.858 -23.078 8.472 897 HA SER 119 HA SER 119 -5.453 -22.101 7.422 898 HB2 SER 119 1HB SER 119 -4.665 -24.397 7.502 899 HB3 SER 119 2HB SER 119 -5.650 -24.075 8.929 900 HG SER 119 HG SER 119 -6.051 -26.102 7.706 901 H SER 120 H SER 120 -4.298 -22.899 5.504 902 HA SER 120 HA SER 120 -6.110 -23.449 3.249 903 HB2 SER 120 1HB SER 120 -3.947 -21.384 3.497 904 HB3 SER 120 2HB SER 120 -4.337 -22.062 1.916 905 HG SER 120 HG SER 120 -5.831 -20.389 3.559 906 H GLY 121 H GLY 121 -2.717 -23.513 4.324 907 HA2 GLY 121 1HA GLY 121 -2.004 -26.043 4.090 908 HA3 GLY 121 2HA GLY 121 -2.141 -25.627 2.388 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -22.445 3.645 1.060 2 HA2 GLY 1 1HA GLY 1 -24.681 3.767 -0.452 3 HA3 GLY 1 2HA GLY 1 -23.412 3.696 -1.665 4 H SER 2 H SER 2 -25.559 1.776 -0.974 5 HA SER 2 HA SER 2 -24.057 -0.507 0.053 6 HB2 SER 2 1HB SER 2 -26.474 0.081 0.735 7 HB3 SER 2 2HB SER 2 -26.934 -0.564 -0.840 8 HG SER 2 HG SER 2 -25.819 -1.887 1.373 9 H SER 3 H SER 3 -26.061 0.275 -2.789 10 HA SER 3 HA SER 3 -25.248 -2.050 -4.229 11 HB2 SER 3 1HB SER 3 -27.411 -0.800 -4.581 12 HB3 SER 3 2HB SER 3 -26.474 0.467 -5.373 13 HG SER 3 HG SER 3 -25.668 -1.581 -6.607 14 H GLY 4 H GLY 4 -23.127 -2.248 -4.676 15 HA2 GLY 4 1HA GLY 4 -21.829 -1.204 -6.755 16 HA3 GLY 4 2HA GLY 4 -21.591 0.063 -5.561 17 H SER 5 H SER 5 -19.360 -0.972 -6.500 18 HA SER 5 HA SER 5 -18.109 -2.089 -4.212 19 HB2 SER 5 1HB SER 5 -17.413 -4.247 -5.187 20 HB3 SER 5 2HB SER 5 -19.165 -4.153 -5.005 21 HG SER 5 HG SER 5 -18.878 -3.271 -7.346 22 H SER 6 H SER 6 -16.201 -1.125 -4.216 23 HA SER 6 HA SER 6 -14.679 -0.967 -6.717 24 HB2 SER 6 1HB SER 6 -14.003 1.375 -6.117 25 HB3 SER 6 2HB SER 6 -15.705 1.209 -6.547 26 HG SER 6 HG SER 6 -15.905 2.260 -4.709 27 H GLY 7 H GLY 7 -12.769 -1.884 -6.407 28 HA2 GLY 7 1HA GLY 7 -11.760 -2.762 -3.978 29 HA3 GLY 7 2HA GLY 7 -10.793 -2.521 -5.425 30 H GLU 8 H GLU 8 -10.754 0.133 -5.798 31 HA GLU 8 HA GLU 8 -8.760 1.146 -4.332 32 HB2 GLU 8 1HB GLU 8 -11.167 2.660 -5.349 33 HB3 GLU 8 2HB GLU 8 -9.708 3.438 -4.752 34 HG2 GLU 8 1HG GLU 8 -8.472 2.844 -6.572 35 HG3 GLU 8 2HG GLU 8 -9.431 1.400 -6.891 36 H GLU 9 H GLU 9 -12.188 1.590 -3.464 37 HA GLU 9 HA GLU 9 -11.713 2.937 -1.043 38 HB2 GLU 9 1HB GLU 9 -13.891 2.994 -2.108 39 HB3 GLU 9 2HB GLU 9 -14.068 1.256 -1.913 40 HG2 GLU 9 1HG GLU 9 -13.650 2.929 0.508 41 HG3 GLU 9 2HG GLU 9 -15.230 2.939 -0.274 42 H GLN 10 H GLN 10 -12.292 -0.499 -1.725 43 HA GLN 10 HA GLN 10 -12.351 -1.495 0.844 44 HB2 GLN 10 1HB GLN 10 -11.495 -2.609 -1.786 45 HB3 GLN 10 2HB GLN 10 -11.121 -3.530 -0.335 46 HG2 GLN 10 1HG GLN 10 -13.655 -3.133 0.195 47 HG3 GLN 10 2HG GLN 10 -13.759 -2.887 -1.548 48 HE21 GLN 10 1HE2 GLN 10 -14.025 -4.616 -2.768 49 HE22 GLN 10 2HE2 GLN 10 -13.743 -6.250 -2.285 50 H ILE 11 H ILE 11 -9.545 -0.685 -1.140 51 HA ILE 11 HA ILE 11 -7.609 -1.690 0.685 52 HB ILE 11 HB ILE 11 -7.332 0.353 -1.521 53 HG12 ILE 11 1HG1 ILE 11 -8.013 -1.904 -2.260 54 HG13 ILE 11 2HG1 ILE 11 -6.392 -1.493 -2.809 55 HG21 ILE 11 1HG2 ILE 11 -5.305 -0.939 0.270 56 HG22 ILE 11 2HG2 ILE 11 -4.874 -0.356 -1.337 57 HG23 ILE 11 3HG2 ILE 11 -5.503 0.767 -0.131 58 HD11 ILE 11 1HD1 ILE 11 -5.580 -3.308 -1.851 59 HD12 ILE 11 2HD1 ILE 11 -6.224 -2.812 -0.285 60 HD13 ILE 11 3HD1 ILE 11 -7.219 -3.765 -1.387 61 H VAL 12 H VAL 12 -8.921 1.548 0.059 62 HA VAL 12 HA VAL 12 -7.327 3.035 1.764 63 HB VAL 12 HB VAL 12 -10.257 3.415 1.136 64 HG11 VAL 12 1HG1 VAL 12 -9.983 4.741 3.011 65 HG12 VAL 12 2HG1 VAL 12 -8.299 5.109 2.633 66 HG13 VAL 12 3HG1 VAL 12 -9.597 5.861 1.705 67 HG21 VAL 12 1HG2 VAL 12 -8.124 3.532 -0.562 68 HG22 VAL 12 2HG2 VAL 12 -9.644 4.398 -0.786 69 HG23 VAL 12 3HG2 VAL 12 -8.266 5.211 -0.041 70 H THR 13 H THR 13 -10.527 1.654 2.534 71 HA THR 13 HA THR 13 -10.438 2.283 5.277 72 HB THR 13 HB THR 13 -11.980 -0.009 4.057 73 HG1 THR 13 1HG THR 13 -13.543 1.485 3.518 74 HG21 THR 13 1HG2 THR 13 -12.985 1.742 6.248 75 HG22 THR 13 2HG2 THR 13 -11.779 0.515 6.638 76 HG23 THR 13 3HG2 THR 13 -13.319 0.043 5.920 77 H TRP 14 H TRP 14 -9.224 -0.431 3.443 78 HA TRP 14 HA TRP 14 -8.838 -2.231 5.578 79 HB2 TRP 14 1HB TRP 14 -8.767 -3.003 3.282 80 HB3 TRP 14 2HB TRP 14 -7.383 -1.969 2.940 81 HD1 TRP 14 HD TRP 14 -7.821 -4.398 5.929 82 HE1 TRP 14 1HE TRP 14 -5.860 -6.065 5.888 83 HE3 TRP 14 3HE TRP 14 -5.560 -2.886 1.600 84 HZ2 TRP 14 2HZ TRP 14 -3.648 -6.660 4.239 85 HZ3 TRP 14 3HZ TRP 14 -3.525 -4.056 0.861 86 HH2 TRP 14 HH TRP 14 -2.590 -5.904 2.155 87 H LEU 15 H LEU 15 -6.502 -0.079 3.952 88 HA LEU 15 HA LEU 15 -4.314 -0.574 5.576 89 HB2 LEU 15 1HB LEU 15 -5.075 2.053 4.308 90 HB3 LEU 15 2HB LEU 15 -3.465 1.595 4.860 91 HG LEU 15 HG LEU 15 -4.939 0.175 2.648 92 HD11 LEU 15 1HD1 LEU 15 -3.756 2.755 2.612 93 HD12 LEU 15 2HD1 LEU 15 -4.431 1.831 1.270 94 HD13 LEU 15 3HD1 LEU 15 -2.726 1.661 1.688 95 HD21 LEU 15 1HD2 LEU 15 -3.111 -1.125 2.406 96 HD22 LEU 15 2HD2 LEU 15 -2.869 -0.730 4.108 97 HD23 LEU 15 3HD2 LEU 15 -1.998 0.165 2.862 98 H ILE 16 H ILE 16 -6.683 2.072 5.908 99 HA ILE 16 HA ILE 16 -5.704 3.179 8.256 100 HB ILE 16 HB ILE 16 -8.612 2.988 7.463 101 HG12 ILE 16 1HG1 ILE 16 -6.551 5.097 6.779 102 HG13 ILE 16 2HG1 ILE 16 -7.198 3.903 5.658 103 HG21 ILE 16 1HG2 ILE 16 -7.615 5.367 8.859 104 HG22 ILE 16 2HG2 ILE 16 -9.102 4.450 9.095 105 HG23 ILE 16 3HG2 ILE 16 -7.595 3.886 9.815 106 HD11 ILE 16 1HD1 ILE 16 -9.387 4.876 5.814 107 HD12 ILE 16 2HD1 ILE 16 -8.838 5.997 7.061 108 HD13 ILE 16 3HD1 ILE 16 -8.215 6.132 5.417 109 H SER 17 H SER 17 -8.504 0.975 8.034 110 HA SER 17 HA SER 17 -9.032 0.490 10.628 111 HB2 SER 17 1HB SER 17 -9.898 -1.664 10.015 112 HB3 SER 17 2HB SER 17 -10.149 -0.588 8.641 113 HG SER 17 HG SER 17 -8.616 -2.842 8.839 114 H LEU 18 H LEU 18 -6.449 -1.093 8.778 115 HA LEU 18 HA LEU 18 -5.517 -2.762 10.831 116 HB2 LEU 18 1HB LEU 18 -4.361 -1.667 8.314 117 HB3 LEU 18 2HB LEU 18 -3.285 -2.457 9.465 118 HG LEU 18 HG LEU 18 -5.727 -3.770 8.281 119 HD11 LEU 18 1HD1 LEU 18 -4.223 -4.940 6.787 120 HD12 LEU 18 2HD1 LEU 18 -2.847 -4.046 7.433 121 HD13 LEU 18 3HD1 LEU 18 -4.102 -3.199 6.529 122 HD21 LEU 18 1HD2 LEU 18 -3.376 -5.205 9.411 123 HD22 LEU 18 2HD2 LEU 18 -5.068 -5.695 9.332 124 HD23 LEU 18 3HD2 LEU 18 -4.551 -4.496 10.518 125 H GLY 19 H GLY 19 -4.552 0.519 9.879 126 HA2 GLY 19 1HA GLY 19 -4.053 2.053 11.748 127 HA3 GLY 19 2HA GLY 19 -3.144 0.733 12.469 128 H VAL 20 H VAL 20 -3.122 1.697 9.073 129 HA VAL 20 HA VAL 20 -0.318 2.543 9.405 130 HB VAL 20 HB VAL 20 0.124 1.655 7.127 131 HG11 VAL 20 1HG1 VAL 20 -0.867 -0.695 8.632 132 HG12 VAL 20 2HG1 VAL 20 0.720 -0.385 7.927 133 HG13 VAL 20 3HG1 VAL 20 0.272 0.367 9.458 134 HG21 VAL 20 1HG2 VAL 20 -2.365 1.684 6.530 135 HG22 VAL 20 2HG2 VAL 20 -1.406 0.318 5.960 136 HG23 VAL 20 3HG2 VAL 20 -2.453 0.133 7.367 137 H LEU 21 H LEU 21 -3.430 3.200 8.128 138 HA LEU 21 HA LEU 21 -2.369 5.576 6.745 139 HB2 LEU 21 1HB LEU 21 -3.301 4.087 5.120 140 HB3 LEU 21 2HB LEU 21 -4.764 3.877 6.079 141 HG LEU 21 HG LEU 21 -5.321 6.260 5.658 142 HD11 LEU 21 1HD1 LEU 21 -3.804 7.650 4.842 143 HD12 LEU 21 2HD1 LEU 21 -3.718 6.698 3.360 144 HD13 LEU 21 3HD1 LEU 21 -2.648 6.324 4.711 145 HD21 LEU 21 1HD2 LEU 21 -5.892 4.154 4.160 146 HD22 LEU 21 2HD2 LEU 21 -4.935 5.044 2.975 147 HD23 LEU 21 3HD2 LEU 21 -6.368 5.786 3.689 148 H GLU 22 H GLU 22 -2.924 7.444 7.636 149 HA GLU 22 HA GLU 22 -4.510 7.698 9.908 150 HB2 GLU 22 1HB GLU 22 -4.327 10.071 9.622 151 HB3 GLU 22 2HB GLU 22 -2.808 9.347 9.111 152 HG2 GLU 22 1HG GLU 22 -4.882 9.840 7.047 153 HG3 GLU 22 2HG GLU 22 -4.008 11.224 7.701 154 H SER 23 H SER 23 -6.590 8.513 10.264 155 HA SER 23 HA SER 23 -8.418 8.137 7.993 156 HB2 SER 23 1HB SER 23 -10.161 7.719 9.653 157 HB3 SER 23 2HB SER 23 -8.779 6.666 9.952 158 HG SER 23 HG SER 23 -8.808 9.124 11.256 159 HA PRO 24 HA PRO 24 -8.558 12.674 8.468 160 HB2 PRO 24 1HB PRO 24 -9.277 13.123 5.889 161 HB3 PRO 24 2HB PRO 24 -7.600 12.875 6.390 162 HG2 PRO 24 1HG PRO 24 -9.521 10.929 5.172 163 HG3 PRO 24 2HG PRO 24 -7.805 11.185 4.806 164 HD2 PRO 24 1HD PRO 24 -8.674 9.154 6.372 165 HD3 PRO 24 2HD PRO 24 -7.104 9.947 6.620 166 H LYS 25 H LYS 25 -10.313 13.552 9.347 167 HA LYS 25 HA LYS 25 -12.794 12.574 9.622 168 HB2 LYS 25 1HB LYS 25 -11.730 14.856 10.388 169 HB3 LYS 25 2HB LYS 25 -12.600 15.494 8.998 170 HG2 LYS 25 1HG LYS 25 -13.985 13.837 11.074 171 HG3 LYS 25 2HG LYS 25 -13.743 15.573 11.285 172 HD2 LYS 25 1HD LYS 25 -14.992 14.456 8.793 173 HD3 LYS 25 2HD LYS 25 -15.952 14.773 10.240 174 HE2 LYS 25 1HE LYS 25 -14.154 16.905 9.176 175 HE3 LYS 25 2HE LYS 25 -15.695 16.598 8.377 176 HZ1 LYS 25 1HZ LYS 25 -16.795 16.924 10.532 177 HZ2 LYS 25 2HZ LYS 25 -15.960 18.305 10.026 178 HZ3 LYS 25 3HZ LYS 25 -15.305 17.315 11.232 179 H LYS 26 H LYS 26 -11.823 14.667 6.910 180 HA LYS 26 HA LYS 26 -14.216 14.766 5.540 181 HB2 LYS 26 1HB LYS 26 -11.352 14.895 4.703 182 HB3 LYS 26 2HB LYS 26 -12.588 14.791 3.456 183 HG2 LYS 26 1HG LYS 26 -12.911 16.829 5.595 184 HG3 LYS 26 2HG LYS 26 -11.707 17.108 4.334 185 HD2 LYS 26 1HD LYS 26 -14.529 16.335 3.661 186 HD3 LYS 26 2HD LYS 26 -14.083 18.016 3.965 187 HE2 LYS 26 1HE LYS 26 -12.594 16.317 1.987 188 HE3 LYS 26 2HE LYS 26 -14.060 17.187 1.540 189 HZ1 LYS 26 1HZ LYS 26 -12.286 18.907 2.914 190 HZ2 LYS 26 2HZ LYS 26 -12.904 19.050 1.347 191 HZ3 LYS 26 3HZ LYS 26 -11.480 18.178 1.618 192 H THR 27 H THR 27 -14.479 13.699 3.265 193 HA THR 27 HA THR 27 -14.192 10.791 3.642 194 HB THR 27 HB THR 27 -16.188 11.897 1.722 195 HG1 THR 27 1HG THR 27 -16.962 11.580 4.404 196 HG21 THR 27 1HG2 THR 27 -17.463 9.937 2.449 197 HG22 THR 27 2HG2 THR 27 -16.217 9.564 3.640 198 HG23 THR 27 3HG2 THR 27 -15.845 9.479 1.919 199 H ILE 28 H ILE 28 -12.666 9.935 2.402 200 HA ILE 28 HA ILE 28 -11.238 11.069 0.389 201 HB ILE 28 HB ILE 28 -12.034 8.157 0.498 202 HG12 ILE 28 1HG1 ILE 28 -11.030 8.968 2.599 203 HG13 ILE 28 2HG1 ILE 28 -9.970 7.837 1.767 204 HG21 ILE 28 1HG2 ILE 28 -9.725 7.937 -0.610 205 HG22 ILE 28 2HG2 ILE 28 -11.081 8.464 -1.605 206 HG23 ILE 28 3HG2 ILE 28 -9.914 9.644 -1.010 207 HD11 ILE 28 1HD1 ILE 28 -9.709 10.830 1.862 208 HD12 ILE 28 2HD1 ILE 28 -8.660 9.636 2.628 209 HD13 ILE 28 3HD1 ILE 28 -8.707 9.771 0.871 210 H CYS 29 H CYS 29 -12.457 12.324 -1.013 211 HA CYS 29 HA CYS 29 -14.690 11.338 -2.464 212 HB2 CYS 29 1HB CYS 29 -12.907 13.744 -2.830 213 HB3 CYS 29 2HB CYS 29 -14.258 13.399 -3.903 214 HG CYS 29 HG CYS 29 -15.594 13.199 -1.022 215 H ASP 30 H ASP 30 -11.263 11.755 -3.255 216 HA ASP 30 HA ASP 30 -11.702 10.104 -5.658 217 HB2 ASP 30 1HB ASP 30 -9.431 12.057 -5.300 218 HB3 ASP 30 2HB ASP 30 -9.967 11.276 -6.785 219 HA PRO 31 HA PRO 31 -9.087 7.548 -2.903 220 HB2 PRO 31 1HB PRO 31 -10.047 5.189 -3.844 221 HB3 PRO 31 2HB PRO 31 -10.861 6.123 -2.584 222 HG2 PRO 31 1HG PRO 31 -11.447 5.984 -5.516 223 HG3 PRO 31 2HG PRO 31 -12.575 5.972 -4.148 224 HD2 PRO 31 1HD PRO 31 -12.090 8.195 -5.617 225 HD3 PRO 31 2HD PRO 31 -12.478 8.260 -3.886 226 H GLU 32 H GLU 32 -9.728 7.260 -6.367 227 HA GLU 32 HA GLU 32 -7.672 5.553 -7.102 228 HB2 GLU 32 1HB GLU 32 -9.424 6.284 -8.648 229 HB3 GLU 32 2HB GLU 32 -8.770 7.916 -8.635 230 HG2 GLU 32 1HG GLU 32 -6.794 7.221 -9.757 231 HG3 GLU 32 2HG GLU 32 -7.216 5.520 -9.570 232 H GLU 33 H GLU 33 -7.601 9.120 -7.074 233 HA GLU 33 HA GLU 33 -4.779 9.209 -7.555 234 HB2 GLU 33 1HB GLU 33 -6.936 11.196 -7.064 235 HB3 GLU 33 2HB GLU 33 -5.285 11.700 -6.731 236 HG2 GLU 33 1HG GLU 33 -6.017 10.442 -9.345 237 HG3 GLU 33 2HG GLU 33 -6.270 12.161 -9.053 238 H PHE 34 H PHE 34 -6.846 9.857 -4.737 239 HA PHE 34 HA PHE 34 -4.997 10.666 -2.895 240 HB2 PHE 34 1HB PHE 34 -7.408 10.509 -2.431 241 HB3 PHE 34 2HB PHE 34 -7.288 8.752 -2.399 242 HD1 PHE 34 2HD PHE 34 -6.316 11.853 -0.663 243 HD2 PHE 34 1HD PHE 34 -6.521 7.606 -0.477 244 HE1 PHE 34 2HE PHE 34 -5.807 11.937 1.743 245 HE2 PHE 34 1HE PHE 34 -6.013 7.683 1.930 246 HZ PHE 34 HZ PHE 34 -5.654 9.851 3.042 247 H LEU 35 H LEU 35 -5.790 7.314 -3.756 248 HA LEU 35 HA LEU 35 -4.005 6.097 -1.945 249 HB2 LEU 35 1HB LEU 35 -5.468 5.240 -4.388 250 HB3 LEU 35 2HB LEU 35 -4.160 4.217 -3.798 251 HG LEU 35 HG LEU 35 -6.415 5.063 -2.006 252 HD11 LEU 35 1HD1 LEU 35 -6.413 3.034 -4.165 253 HD12 LEU 35 2HD1 LEU 35 -7.738 3.997 -3.512 254 HD13 LEU 35 3HD1 LEU 35 -7.151 2.590 -2.626 255 HD21 LEU 35 1HD2 LEU 35 -5.562 3.594 -0.528 256 HD22 LEU 35 2HD2 LEU 35 -4.074 3.838 -1.444 257 HD23 LEU 35 3HD2 LEU 35 -5.099 2.441 -1.779 258 H LYS 36 H LYS 36 -3.675 6.898 -5.392 259 HA LYS 36 HA LYS 36 -1.166 5.867 -5.882 260 HB2 LYS 36 1HB LYS 36 -2.506 8.349 -6.948 261 HB3 LYS 36 2HB LYS 36 -0.954 7.781 -7.551 262 HG2 LYS 36 1HG LYS 36 -1.869 5.911 -8.540 263 HG3 LYS 36 2HG LYS 36 -3.289 5.923 -7.491 264 HD2 LYS 36 1HD LYS 36 -4.372 7.498 -8.749 265 HD3 LYS 36 2HD LYS 36 -2.871 8.244 -9.303 266 HE2 LYS 36 1HE LYS 36 -2.468 6.272 -10.739 267 HE3 LYS 36 2HE LYS 36 -4.022 5.613 -10.229 268 HZ1 LYS 36 1HZ LYS 36 -3.628 7.206 -12.378 269 HZ2 LYS 36 2HZ LYS 36 -4.188 8.305 -11.222 270 HZ3 LYS 36 3HZ LYS 36 -5.117 6.948 -11.618 271 H SER 37 H SER 37 -2.022 8.954 -4.390 272 HA SER 37 HA SER 37 0.688 9.855 -4.181 273 HB2 SER 37 1HB SER 37 -1.949 10.810 -3.109 274 HB3 SER 37 2HB SER 37 -0.446 11.500 -2.498 275 HG SER 37 HG SER 37 -0.712 12.753 -4.186 276 H SER 38 H SER 38 -1.581 8.192 -2.072 277 HA SER 38 HA SER 38 -0.059 8.392 0.304 278 HB2 SER 38 1HB SER 38 -2.139 6.354 -0.525 279 HB3 SER 38 2HB SER 38 -1.493 6.521 1.108 280 HG SER 38 HG SER 38 -3.253 8.163 -0.293 281 H LEU 39 H LEU 39 -0.140 6.037 -2.314 282 HA LEU 39 HA LEU 39 1.837 4.362 -0.989 283 HB2 LEU 39 1HB LEU 39 0.737 4.006 -3.763 284 HB3 LEU 39 2HB LEU 39 1.482 2.793 -2.723 285 HG LEU 39 HG LEU 39 -1.144 4.101 -2.055 286 HD11 LEU 39 1HD1 LEU 39 -1.023 1.374 -3.229 287 HD12 LEU 39 2HD1 LEU 39 -0.937 2.759 -4.316 288 HD13 LEU 39 3HD1 LEU 39 -2.328 2.560 -3.250 289 HD21 LEU 39 1HD2 LEU 39 0.577 2.462 -0.612 290 HD22 LEU 39 2HD2 LEU 39 -0.696 1.382 -1.182 291 HD23 LEU 39 3HD2 LEU 39 -1.110 2.816 -0.240 292 H LYS 40 H LYS 40 1.640 6.798 -3.442 293 HA LYS 40 HA LYS 40 3.672 6.492 -5.136 294 HB2 LYS 40 1HB LYS 40 2.547 8.564 -5.184 295 HB3 LYS 40 2HB LYS 40 2.958 8.922 -3.511 296 HG2 LYS 40 1HG LYS 40 5.371 9.025 -4.272 297 HG3 LYS 40 2HG LYS 40 4.745 9.009 -5.922 298 HD2 LYS 40 1HD LYS 40 3.615 10.972 -3.987 299 HD3 LYS 40 2HD LYS 40 5.221 11.274 -4.654 300 HE2 LYS 40 1HE LYS 40 3.963 12.322 -6.238 301 HE3 LYS 40 2HE LYS 40 3.982 10.698 -6.923 302 HZ1 LYS 40 1HZ LYS 40 1.833 11.468 -5.068 303 HZ2 LYS 40 2HZ LYS 40 1.817 10.315 -6.305 304 HZ3 LYS 40 3HZ LYS 40 1.755 11.962 -6.684 305 H ASN 41 H ASN 41 4.372 8.163 -2.067 306 HA ASN 41 HA ASN 41 7.124 7.939 -2.174 307 HB2 ASN 41 1HB ASN 41 6.797 7.922 0.478 308 HB3 ASN 41 2HB ASN 41 6.505 9.363 -0.492 309 HD21 ASN 41 1HD2 ASN 41 5.126 10.063 1.215 310 HD22 ASN 41 2HD2 ASN 41 3.511 9.461 1.334 311 H GLY 42 H GLY 42 4.870 5.796 -0.421 312 HA2 GLY 42 1HA GLY 42 5.197 3.378 -0.669 313 HA3 GLY 42 2HA GLY 42 6.927 3.684 -0.614 314 H VAL 43 H VAL 43 5.973 5.777 1.567 315 HA VAL 43 HA VAL 43 6.818 4.288 3.788 316 HB VAL 43 HB VAL 43 6.959 6.716 3.761 317 HG11 VAL 43 1HG1 VAL 43 4.645 7.862 4.352 318 HG12 VAL 43 2HG1 VAL 43 5.163 7.619 2.682 319 HG13 VAL 43 3HG1 VAL 43 4.017 6.502 3.423 320 HG21 VAL 43 1HG2 VAL 43 7.027 5.861 5.937 321 HG22 VAL 43 2HG2 VAL 43 5.825 7.149 6.019 322 HG23 VAL 43 3HG2 VAL 43 5.308 5.464 5.933 323 H VAL 44 H VAL 44 3.649 4.820 2.415 324 HA VAL 44 HA VAL 44 2.128 3.950 4.646 325 HB VAL 44 HB VAL 44 1.506 4.180 1.712 326 HG11 VAL 44 1HG1 VAL 44 -0.019 2.555 2.052 327 HG12 VAL 44 2HG1 VAL 44 0.012 2.745 3.806 328 HG13 VAL 44 3HG1 VAL 44 -0.933 3.856 2.814 329 HG21 VAL 44 1HG2 VAL 44 1.679 6.250 3.003 330 HG22 VAL 44 2HG2 VAL 44 0.022 5.966 2.469 331 HG23 VAL 44 3HG2 VAL 44 0.476 5.643 4.142 332 H LEU 45 H LEU 45 3.275 2.294 1.721 333 HA LEU 45 HA LEU 45 2.112 -0.209 2.327 334 HB2 LEU 45 1HB LEU 45 4.521 0.426 0.629 335 HB3 LEU 45 2HB LEU 45 3.649 -1.106 0.637 336 HG LEU 45 HG LEU 45 2.179 1.403 -0.042 337 HD11 LEU 45 1HD1 LEU 45 2.783 1.083 -2.408 338 HD12 LEU 45 2HD1 LEU 45 3.973 -0.124 -1.923 339 HD13 LEU 45 3HD1 LEU 45 4.162 1.554 -1.414 340 HD21 LEU 45 1HD2 LEU 45 0.741 -0.036 -1.196 341 HD22 LEU 45 2HD2 LEU 45 1.151 -0.917 0.276 342 HD23 LEU 45 3HD2 LEU 45 1.935 -1.334 -1.249 343 H CYS 46 H CYS 46 5.218 1.248 3.103 344 HA CYS 46 HA CYS 46 6.539 -1.029 4.050 345 HB2 CYS 46 1HB CYS 46 6.822 1.907 4.473 346 HB3 CYS 46 2HB CYS 46 7.666 0.835 5.583 347 HG CYS 46 HG CYS 46 8.260 1.434 2.317 348 H LYS 47 H LYS 47 4.411 1.265 5.702 349 HA LYS 47 HA LYS 47 4.708 0.129 8.284 350 HB2 LYS 47 1HB LYS 47 2.514 1.843 7.109 351 HB3 LYS 47 2HB LYS 47 2.629 1.418 8.811 352 HG2 LYS 47 1HG LYS 47 4.646 2.643 9.068 353 HG3 LYS 47 2HG LYS 47 4.800 2.872 7.325 354 HD2 LYS 47 1HD LYS 47 2.917 4.333 7.274 355 HD3 LYS 47 2HD LYS 47 2.491 3.940 8.941 356 HE2 LYS 47 1HE LYS 47 4.152 5.250 9.818 357 HE3 LYS 47 2HE LYS 47 5.189 5.071 8.403 358 HZ1 LYS 47 1HZ LYS 47 4.055 6.703 7.259 359 HZ2 LYS 47 2HZ LYS 47 4.037 7.316 8.836 360 HZ3 LYS 47 3HZ LYS 47 2.658 6.567 8.204 361 H LEU 48 H LEU 48 2.620 -0.551 5.566 362 HA LEU 48 HA LEU 48 0.700 -2.115 6.925 363 HB2 LEU 48 1HB LEU 48 0.160 -1.310 4.768 364 HB3 LEU 48 2HB LEU 48 1.609 -2.021 4.062 365 HG LEU 48 HG LEU 48 0.587 -4.282 4.592 366 HD11 LEU 48 1HD1 LEU 48 -1.900 -4.262 4.762 367 HD12 LEU 48 2HD1 LEU 48 -1.814 -2.529 5.071 368 HD13 LEU 48 3HD1 LEU 48 -1.068 -3.662 6.197 369 HD21 LEU 48 1HD2 LEU 48 0.369 -2.630 2.405 370 HD22 LEU 48 2HD2 LEU 48 -1.301 -3.111 2.708 371 HD23 LEU 48 3HD2 LEU 48 -0.060 -4.340 2.456 372 H ILE 49 H ILE 49 3.122 -3.351 4.624 373 HA ILE 49 HA ILE 49 3.043 -5.992 5.200 374 HB ILE 49 HB ILE 49 4.517 -5.005 3.486 375 HG12 ILE 49 1HG1 ILE 49 6.576 -6.502 4.096 376 HG13 ILE 49 2HG1 ILE 49 5.586 -6.986 5.469 377 HG21 ILE 49 1HG2 ILE 49 5.397 -3.262 5.182 378 HG22 ILE 49 2HG2 ILE 49 6.573 -4.507 5.601 379 HG23 ILE 49 3HG2 ILE 49 6.495 -3.887 3.952 380 HD11 ILE 49 1HD1 ILE 49 3.930 -7.907 4.067 381 HD12 ILE 49 2HD1 ILE 49 4.630 -7.161 2.630 382 HD13 ILE 49 3HD1 ILE 49 5.481 -8.471 3.447 383 H ASN 50 H ASN 50 4.677 -3.510 7.096 384 HA ASN 50 HA ASN 50 6.082 -5.169 8.854 385 HB2 ASN 50 1HB ASN 50 5.069 -2.362 8.968 386 HB3 ASN 50 2HB ASN 50 5.652 -3.101 10.456 387 HD21 ASN 50 1HD2 ASN 50 6.665 -0.924 8.630 388 HD22 ASN 50 2HD2 ASN 50 8.313 -1.350 8.338 389 H ARG 51 H ARG 51 2.813 -3.803 9.117 390 HA ARG 51 HA ARG 51 2.229 -4.922 11.643 391 HB2 ARG 51 1HB ARG 51 0.961 -3.045 10.702 392 HB3 ARG 51 2HB ARG 51 0.348 -4.090 9.428 393 HG2 ARG 51 1HG ARG 51 -1.420 -4.146 10.852 394 HG3 ARG 51 2HG ARG 51 -0.499 -5.513 11.480 395 HD2 ARG 51 1HD ARG 51 0.068 -2.811 12.582 396 HD3 ARG 51 2HD ARG 51 -1.430 -3.606 13.063 397 HE ARG 51 HE ARG 51 0.396 -5.526 13.495 398 HH11 ARG 51 1HH1 ARG 51 0.278 -2.167 14.400 399 HH12 ARG 51 2HH1 ARG 51 1.192 -2.391 15.854 400 HH21 ARG 51 1HH2 ARG 51 1.601 -5.835 15.408 401 HH22 ARG 51 2HH2 ARG 51 1.945 -4.478 16.426 402 H LEU 52 H LEU 52 1.825 -6.095 8.351 403 HA LEU 52 HA LEU 52 0.232 -8.346 8.976 404 HB2 LEU 52 1HB LEU 52 2.144 -8.015 6.671 405 HB3 LEU 52 2HB LEU 52 0.798 -9.149 6.769 406 HG LEU 52 HG LEU 52 0.566 -6.142 6.634 407 HD11 LEU 52 1HD1 LEU 52 -0.528 -7.871 4.515 408 HD12 LEU 52 2HD1 LEU 52 1.230 -7.753 4.585 409 HD13 LEU 52 3HD1 LEU 52 0.256 -6.294 4.408 410 HD21 LEU 52 1HD2 LEU 52 -1.377 -6.623 7.686 411 HD22 LEU 52 2HD2 LEU 52 -1.360 -8.314 7.184 412 HD23 LEU 52 3HD2 LEU 52 -1.882 -7.064 6.055 413 H MET 53 H MET 53 3.731 -8.025 8.390 414 HA MET 53 HA MET 53 4.102 -10.559 9.849 415 HB2 MET 53 1HB MET 53 5.653 -9.469 7.498 416 HB3 MET 53 2HB MET 53 6.195 -10.829 8.473 417 HG2 MET 53 1HG MET 53 3.995 -11.939 7.896 418 HG3 MET 53 2HG MET 53 3.782 -10.662 6.701 419 HE1 MET 53 1HE MET 53 6.221 -14.071 7.330 420 HE2 MET 53 2HE MET 53 4.467 -13.885 7.351 421 HE3 MET 53 3HE MET 53 5.269 -14.529 5.917 422 HA PRO 54 HA PRO 54 6.518 -8.234 12.709 423 HB2 PRO 54 1HB PRO 54 7.917 -10.279 13.818 424 HB3 PRO 54 2HB PRO 54 6.207 -9.988 14.159 425 HG2 PRO 54 1HG PRO 54 7.455 -11.944 12.268 426 HG3 PRO 54 2HG PRO 54 6.099 -12.179 13.386 427 HD2 PRO 54 1HD PRO 54 5.744 -11.743 10.738 428 HD3 PRO 54 2HD PRO 54 4.587 -11.181 11.961 429 H GLY 55 H GLY 55 8.025 -6.952 11.775 430 HA2 GLY 55 1HA GLY 55 10.210 -6.334 11.288 431 HA3 GLY 55 2HA GLY 55 10.687 -8.020 11.429 432 H SER 56 H SER 56 8.485 -6.176 9.312 433 HA SER 56 HA SER 56 9.310 -7.764 7.038 434 HB2 SER 56 1HB SER 56 7.398 -5.421 7.195 435 HB3 SER 56 2HB SER 56 7.618 -6.478 5.801 436 HG SER 56 HG SER 56 6.465 -7.054 8.305 437 H VAL 57 H VAL 57 9.513 -4.372 8.058 438 HA VAL 57 HA VAL 57 11.598 -3.971 6.011 439 HB VAL 57 HB VAL 57 9.584 -1.994 7.081 440 HG11 VAL 57 1HG1 VAL 57 11.849 -1.432 5.172 441 HG12 VAL 57 2HG1 VAL 57 10.679 -0.278 5.816 442 HG13 VAL 57 3HG1 VAL 57 11.870 -1.019 6.886 443 HG21 VAL 57 1HG2 VAL 57 10.135 -2.999 4.290 444 HG22 VAL 57 2HG2 VAL 57 8.770 -3.464 5.305 445 HG23 VAL 57 3HG2 VAL 57 8.920 -1.801 4.736 446 H GLU 58 H GLU 58 13.529 -3.180 6.650 447 HA GLU 58 HA GLU 58 14.215 -3.233 9.394 448 HB2 GLU 58 1HB GLU 58 15.729 -2.150 7.014 449 HB3 GLU 58 2HB GLU 58 16.413 -2.352 8.620 450 HG2 GLU 58 1HG GLU 58 17.120 -4.229 7.439 451 HG3 GLU 58 2HG GLU 58 15.766 -4.804 8.410 452 H LYS 59 H LYS 59 14.379 -0.488 7.119 453 HA LYS 59 HA LYS 59 13.170 1.288 9.037 454 HB2 LYS 59 1HB LYS 59 16.099 1.518 8.350 455 HB3 LYS 59 2HB LYS 59 15.162 2.860 8.993 456 HG2 LYS 59 1HG LYS 59 14.633 1.470 10.979 457 HG3 LYS 59 2HG LYS 59 15.715 0.228 10.345 458 HD2 LYS 59 1HD LYS 59 16.685 3.037 10.706 459 HD3 LYS 59 2HD LYS 59 16.611 1.937 12.084 460 HE2 LYS 59 1HE LYS 59 17.927 0.304 10.638 461 HE3 LYS 59 2HE LYS 59 18.216 1.664 9.556 462 HZ1 LYS 59 1HZ LYS 59 19.333 1.112 12.176 463 HZ2 LYS 59 2HZ LYS 59 18.913 2.726 11.895 464 HZ3 LYS 59 3HZ LYS 59 20.004 1.945 10.865 465 H PHE 60 H PHE 60 11.863 2.498 7.850 466 HA PHE 60 HA PHE 60 12.711 3.235 5.127 467 HB2 PHE 60 1HB PHE 60 10.295 3.439 4.604 468 HB3 PHE 60 2HB PHE 60 10.744 1.810 5.100 469 HD1 PHE 60 2HD PHE 60 10.061 0.941 7.279 470 HD2 PHE 60 1HD PHE 60 8.831 4.786 5.930 471 HE1 PHE 60 2HE PHE 60 8.314 0.986 9.010 472 HE2 PHE 60 1HE PHE 60 7.082 4.837 7.660 473 HZ PHE 60 HZ PHE 60 6.821 2.935 9.202 474 H CYS 61 H CYS 61 11.178 5.246 4.441 475 HA CYS 61 HA CYS 61 11.842 7.337 6.391 476 HB2 CYS 61 1HB CYS 61 12.603 7.263 3.853 477 HB3 CYS 61 2HB CYS 61 11.013 7.972 3.593 478 HG CYS 61 HG CYS 61 12.554 10.166 3.590 479 H LEU 62 H LEU 62 10.214 7.954 7.641 480 HA LEU 62 HA LEU 62 7.494 7.431 7.088 481 HB2 LEU 62 1HB LEU 62 8.848 9.233 9.080 482 HB3 LEU 62 2HB LEU 62 7.099 9.026 9.011 483 HG LEU 62 HG LEU 62 9.039 6.769 9.487 484 HD11 LEU 62 1HD1 LEU 62 8.553 8.834 11.228 485 HD12 LEU 62 2HD1 LEU 62 9.093 7.216 11.672 486 HD13 LEU 62 3HD1 LEU 62 7.377 7.616 11.723 487 HD21 LEU 62 1HD2 LEU 62 6.487 6.616 8.630 488 HD22 LEU 62 2HD2 LEU 62 6.233 6.646 10.375 489 HD23 LEU 62 3HD2 LEU 62 7.255 5.402 9.653 490 H ASP 63 H ASP 63 9.439 10.390 6.884 491 HA ASP 63 HA ASP 63 7.319 11.557 5.203 492 HB2 ASP 63 1HB ASP 63 7.290 12.710 7.331 493 HB3 ASP 63 2HB ASP 63 9.032 12.958 7.264 494 HA PRO 64 HA PRO 64 11.166 11.357 2.701 495 HB2 PRO 64 1HB PRO 64 9.867 10.895 0.363 496 HB3 PRO 64 2HB PRO 64 10.287 9.608 1.499 497 HG2 PRO 64 1HG PRO 64 7.673 11.015 1.112 498 HG3 PRO 64 2HG PRO 64 7.988 9.287 1.354 499 HD2 PRO 64 1HD PRO 64 7.144 10.907 3.353 500 HD3 PRO 64 2HD PRO 64 8.213 9.518 3.636 501 H GLN 65 H GLN 65 11.899 13.394 2.495 502 HA GLN 65 HA GLN 65 10.202 15.515 1.506 503 HB2 GLN 65 1HB GLN 65 12.046 15.661 3.334 504 HB3 GLN 65 2HB GLN 65 13.155 15.781 1.974 505 HG2 GLN 65 1HG GLN 65 11.469 17.663 1.218 506 HG3 GLN 65 2HG GLN 65 11.120 17.710 2.945 507 HE21 GLN 65 1HE2 GLN 65 13.157 18.763 0.497 508 HE22 GLN 65 2HE2 GLN 65 14.405 19.446 1.477 509 H THR 66 H THR 66 12.680 13.407 0.290 510 HA THR 66 HA THR 66 12.501 14.765 -2.320 511 HB THR 66 HB THR 66 14.798 14.090 -2.806 512 HG1 THR 66 1HG THR 66 14.613 12.272 -1.162 513 HG21 THR 66 1HG2 THR 66 14.770 16.252 -1.954 514 HG22 THR 66 2HG2 THR 66 15.927 15.444 -0.896 515 HG23 THR 66 3HG2 THR 66 14.274 15.720 -0.348 516 H GLU 67 H GLU 67 13.227 13.233 -4.137 517 HA GLU 67 HA GLU 67 11.455 11.067 -4.246 518 HB2 GLU 67 1HB GLU 67 12.144 12.063 -6.293 519 HB3 GLU 67 2HB GLU 67 13.844 11.802 -5.929 520 HG2 GLU 67 1HG GLU 67 13.315 9.317 -6.004 521 HG3 GLU 67 2HG GLU 67 11.781 9.783 -6.736 522 H ALA 68 H ALA 68 15.013 11.037 -4.002 523 HA ALA 68 HA ALA 68 15.585 8.408 -3.883 524 HB1 ALA 68 1HB ALA 68 17.250 9.122 -1.974 525 HB2 ALA 68 2HB ALA 68 17.452 9.705 -3.627 526 HB3 ALA 68 3HB ALA 68 16.702 10.741 -2.412 527 H ASP 69 H ASP 69 14.145 10.300 -1.270 528 HA ASP 69 HA ASP 69 14.201 8.227 0.667 529 HB2 ASP 69 1HB ASP 69 12.767 10.844 0.407 530 HB3 ASP 69 2HB ASP 69 12.276 9.711 1.664 531 H CYS 70 H CYS 70 11.862 9.226 -1.763 532 HA CYS 70 HA CYS 70 9.722 7.608 -0.869 533 HB2 CYS 70 1HB CYS 70 10.351 8.741 -3.601 534 HB3 CYS 70 2HB CYS 70 8.842 7.930 -3.198 535 HG CYS 70 HG CYS 70 8.662 9.955 -0.945 536 H ILE 71 H ILE 71 11.865 7.137 -3.686 537 HA ILE 71 HA ILE 71 11.105 4.620 -4.429 538 HB ILE 71 HB ILE 71 13.941 5.661 -4.394 539 HG12 ILE 71 1HG1 ILE 71 12.346 7.140 -5.569 540 HG13 ILE 71 2HG1 ILE 71 13.497 6.398 -6.675 541 HG21 ILE 71 1HG2 ILE 71 12.654 3.279 -5.644 542 HG22 ILE 71 2HG2 ILE 71 13.987 4.079 -6.475 543 HG23 ILE 71 3HG2 ILE 71 14.225 3.426 -4.854 544 HD11 ILE 71 1HD1 ILE 71 11.633 6.033 -7.879 545 HD12 ILE 71 2HD1 ILE 71 11.509 4.614 -6.837 546 HD13 ILE 71 3HD1 ILE 71 10.580 6.067 -6.465 547 H ASN 72 H ASN 72 13.324 5.502 -1.826 548 HA ASN 72 HA ASN 72 14.303 2.981 -1.181 549 HB2 ASN 72 1HB ASN 72 13.808 5.454 0.460 550 HB3 ASN 72 2HB ASN 72 14.447 3.989 1.199 551 HD21 ASN 72 1HD2 ASN 72 15.853 6.353 1.198 552 HD22 ASN 72 2HD2 ASN 72 17.247 6.188 0.191 553 H ASN 73 H ASN 73 11.433 4.647 0.107 554 HA ASN 73 HA ASN 73 10.581 2.710 1.893 555 HB2 ASN 73 1HB ASN 73 8.913 4.576 0.192 556 HB3 ASN 73 2HB ASN 73 8.305 3.670 1.575 557 HD21 ASN 73 1HD2 ASN 73 8.023 6.332 1.593 558 HD22 ASN 73 2HD2 ASN 73 9.105 7.059 2.727 559 H ILE 74 H ILE 74 9.273 3.173 -1.397 560 HA ILE 74 HA ILE 74 7.704 0.971 -1.627 561 HB ILE 74 HB ILE 74 9.541 2.032 -3.777 562 HG12 ILE 74 1HG1 ILE 74 6.623 2.656 -3.573 563 HG13 ILE 74 2HG1 ILE 74 7.752 3.525 -2.540 564 HG21 ILE 74 1HG2 ILE 74 8.712 -0.174 -4.347 565 HG22 ILE 74 2HG2 ILE 74 7.062 0.330 -3.987 566 HG23 ILE 74 3HG2 ILE 74 7.925 1.047 -5.347 567 HD11 ILE 74 1HD1 ILE 74 8.621 3.446 -5.304 568 HD12 ILE 74 2HD1 ILE 74 7.038 4.198 -5.106 569 HD13 ILE 74 3HD1 ILE 74 8.427 4.817 -4.212 570 H ASN 75 H ASN 75 11.089 0.991 -2.766 571 HA ASN 75 HA ASN 75 11.435 -1.635 -3.349 572 HB2 ASN 75 1HB ASN 75 13.265 0.445 -2.241 573 HB3 ASN 75 2HB ASN 75 13.841 -1.218 -2.297 574 HD21 ASN 75 1HD2 ASN 75 12.507 1.387 -4.250 575 HD22 ASN 75 2HD2 ASN 75 13.232 0.889 -5.737 576 H ASP 76 H ASP 76 11.854 -0.198 -0.120 577 HA ASP 76 HA ASP 76 12.530 -2.519 1.258 578 HB2 ASP 76 1HB ASP 76 11.211 0.049 2.073 579 HB3 ASP 76 2HB ASP 76 11.379 -1.264 3.236 580 H PHE 77 H PHE 77 9.302 -1.024 0.986 581 HA PHE 77 HA PHE 77 7.808 -2.890 2.321 582 HB2 PHE 77 1HB PHE 77 6.538 -1.091 1.651 583 HB3 PHE 77 2HB PHE 77 7.240 -1.060 0.037 584 HD1 PHE 77 1HD PHE 77 5.260 -3.466 2.098 585 HD2 PHE 77 2HD PHE 77 5.775 -1.523 -1.654 586 HE1 PHE 77 1HE PHE 77 3.283 -4.640 1.222 587 HE2 PHE 77 2HE PHE 77 3.799 -2.693 -2.535 588 HZ PHE 77 HZ PHE 77 2.549 -4.254 -1.097 589 H LEU 78 H LEU 78 8.878 -3.013 -1.051 590 HA LEU 78 HA LEU 78 7.508 -5.323 -1.824 591 HB2 LEU 78 1HB LEU 78 10.177 -4.273 -2.750 592 HB3 LEU 78 2HB LEU 78 9.261 -5.541 -3.561 593 HG LEU 78 HG LEU 78 8.222 -2.740 -3.168 594 HD11 LEU 78 1HD1 LEU 78 9.384 -3.821 -5.715 595 HD12 LEU 78 2HD1 LEU 78 10.359 -2.932 -4.545 596 HD13 LEU 78 3HD1 LEU 78 8.971 -2.155 -5.308 597 HD21 LEU 78 1HD2 LEU 78 7.294 -4.380 -5.404 598 HD22 LEU 78 2HD2 LEU 78 6.380 -3.406 -4.252 599 HD23 LEU 78 3HD2 LEU 78 6.893 -5.037 -3.817 600 H LYS 79 H LYS 79 10.742 -4.941 -0.414 601 HA LYS 79 HA LYS 79 11.781 -7.429 -0.511 602 HB2 LYS 79 1HB LYS 79 11.722 -5.696 1.966 603 HB3 LYS 79 2HB LYS 79 12.863 -6.996 1.650 604 HG2 LYS 79 1HG LYS 79 12.621 -4.687 -0.236 605 HG3 LYS 79 2HG LYS 79 13.593 -4.564 1.233 606 HD2 LYS 79 1HD LYS 79 14.714 -6.729 0.448 607 HD3 LYS 79 2HD LYS 79 13.959 -6.405 -1.115 608 HE2 LYS 79 1HE LYS 79 15.184 -4.440 -1.429 609 HE3 LYS 79 2HE LYS 79 15.598 -4.316 0.280 610 HZ1 LYS 79 1HZ LYS 79 17.225 -5.293 -1.620 611 HZ2 LYS 79 2HZ LYS 79 16.550 -6.718 -1.007 612 HZ3 LYS 79 3HZ LYS 79 17.358 -5.651 0.028 613 H GLY 80 H GLY 80 9.013 -6.433 1.368 614 HA2 GLY 80 1HA GLY 80 8.901 -9.010 2.747 615 HA3 GLY 80 2HA GLY 80 7.863 -7.624 3.049 616 H CYS 81 H CYS 81 7.217 -7.216 0.242 617 HA CYS 81 HA CYS 81 4.885 -8.716 0.058 618 HB2 CYS 81 1HB CYS 81 4.566 -7.750 -2.061 619 HB3 CYS 81 2HB CYS 81 5.538 -6.568 -1.191 620 HG CYS 81 HG CYS 81 7.917 -7.964 -2.434 621 H ALA 82 H ALA 82 8.109 -9.387 -1.141 622 HA ALA 82 HA ALA 82 7.595 -11.419 -2.953 623 HB1 ALA 82 1HB ALA 82 9.801 -11.100 -3.053 624 HB2 ALA 82 2HB ALA 82 9.880 -10.519 -1.390 625 HB3 ALA 82 3HB ALA 82 9.907 -12.251 -1.721 626 H THR 83 H THR 83 7.986 -11.626 0.568 627 HA THR 83 HA THR 83 7.951 -14.342 0.947 628 HB THR 83 HB THR 83 6.460 -12.355 2.671 629 HG1 THR 83 1HG THR 83 8.409 -12.000 3.675 630 HG21 THR 83 1HG2 THR 83 7.523 -14.179 4.358 631 HG22 THR 83 2HG2 THR 83 7.203 -15.196 2.953 632 HG23 THR 83 3HG2 THR 83 5.891 -14.287 3.702 633 H LEU 84 H LEU 84 5.185 -12.200 0.415 634 HA LEU 84 HA LEU 84 3.230 -14.258 0.733 635 HB2 LEU 84 1HB LEU 84 3.052 -11.541 -0.560 636 HB3 LEU 84 2HB LEU 84 1.677 -12.595 -0.240 637 HG LEU 84 HG LEU 84 3.416 -11.779 2.039 638 HD11 LEU 84 1HD1 LEU 84 2.115 -9.740 2.347 639 HD12 LEU 84 2HD1 LEU 84 1.292 -10.025 0.813 640 HD13 LEU 84 3HD1 LEU 84 3.023 -9.693 0.836 641 HD21 LEU 84 1HD2 LEU 84 1.418 -12.037 3.296 642 HD22 LEU 84 2HD2 LEU 84 1.523 -13.424 2.211 643 HD23 LEU 84 3HD2 LEU 84 0.429 -12.092 1.837 644 H GLN 85 H GLN 85 5.244 -13.204 -1.850 645 HA GLN 85 HA GLN 85 5.479 -13.861 -4.015 646 HB2 GLN 85 1HB GLN 85 3.895 -16.260 -3.077 647 HB3 GLN 85 2HB GLN 85 4.836 -16.170 -4.560 648 HG2 GLN 85 1HG GLN 85 6.850 -16.255 -3.451 649 HG3 GLN 85 2HG GLN 85 6.164 -15.657 -1.942 650 HE21 GLN 85 1HE2 GLN 85 5.345 -17.073 -0.485 651 HE22 GLN 85 2HE2 GLN 85 5.398 -18.789 -0.673 652 H VAL 86 H VAL 86 3.544 -12.011 -3.734 653 HA VAL 86 HA VAL 86 1.351 -12.966 -5.458 654 HB VAL 86 HB VAL 86 0.019 -11.074 -4.613 655 HG11 VAL 86 1HG1 VAL 86 1.112 -12.822 -2.411 656 HG12 VAL 86 2HG1 VAL 86 -0.440 -11.983 -2.407 657 HG13 VAL 86 3HG1 VAL 86 -0.144 -13.287 -3.558 658 HG21 VAL 86 1HG2 VAL 86 2.576 -10.353 -3.419 659 HG22 VAL 86 2HG2 VAL 86 1.164 -9.353 -3.759 660 HG23 VAL 86 3HG2 VAL 86 1.238 -10.298 -2.272 661 H GLU 87 H GLU 87 0.380 -11.088 -6.777 662 HA GLU 87 HA GLU 87 2.196 -10.257 -8.684 663 HB2 GLU 87 1HB GLU 87 -0.480 -9.089 -7.919 664 HB3 GLU 87 2HB GLU 87 0.427 -8.572 -9.333 665 HG2 GLU 87 1HG GLU 87 0.052 -10.523 -10.464 666 HG3 GLU 87 2HG GLU 87 -0.143 -11.468 -8.989 667 H ILE 88 H ILE 88 3.751 -8.784 -8.705 668 HA ILE 88 HA ILE 88 3.634 -6.592 -6.737 669 HB ILE 88 HB ILE 88 6.132 -6.516 -6.956 670 HG12 ILE 88 1HG1 ILE 88 6.000 -9.303 -8.046 671 HG13 ILE 88 2HG1 ILE 88 5.941 -7.939 -9.157 672 HG21 ILE 88 1HG2 ILE 88 6.500 -8.541 -5.540 673 HG22 ILE 88 2HG2 ILE 88 5.170 -7.513 -5.012 674 HG23 ILE 88 3HG2 ILE 88 4.835 -9.011 -5.879 675 HD11 ILE 88 1HD1 ILE 88 8.180 -8.381 -9.118 676 HD12 ILE 88 2HD1 ILE 88 8.066 -7.174 -7.837 677 HD13 ILE 88 3HD1 ILE 88 8.165 -8.886 -7.429 678 H PHE 89 H PHE 89 5.275 -4.773 -7.514 679 HA PHE 89 HA PHE 89 5.000 -4.286 -10.381 680 HB2 PHE 89 1HB PHE 89 4.196 -1.940 -9.877 681 HB3 PHE 89 2HB PHE 89 3.026 -3.220 -9.574 682 HD1 PHE 89 1HD PHE 89 5.479 -0.994 -7.919 683 HD2 PHE 89 2HD PHE 89 2.063 -3.491 -7.463 684 HE1 PHE 89 1HE PHE 89 5.198 -0.183 -5.613 685 HE2 PHE 89 2HE PHE 89 1.776 -2.684 -5.156 686 HZ PHE 89 HZ PHE 89 3.344 -1.027 -4.229 687 H ASP 90 H ASP 90 5.971 -1.850 -10.686 688 HA ASP 90 HA ASP 90 8.651 -2.025 -9.500 689 HB2 ASP 90 1HB ASP 90 7.599 -0.937 -12.085 690 HB3 ASP 90 2HB ASP 90 9.113 -0.314 -11.434 691 HA PRO 91 HA PRO 91 8.220 1.697 -7.220 692 HB2 PRO 91 1HB PRO 91 10.689 2.797 -7.472 693 HB3 PRO 91 2HB PRO 91 10.371 1.368 -6.481 694 HG2 PRO 91 1HG PRO 91 11.489 1.541 -9.253 695 HG3 PRO 91 2HG PRO 91 12.010 0.523 -7.897 696 HD2 PRO 91 1HD PRO 91 10.470 -0.416 -9.917 697 HD3 PRO 91 2HD PRO 91 10.340 -1.025 -8.254 698 H ASP 92 H ASP 92 8.827 1.765 -10.567 699 HA ASP 92 HA ASP 92 8.708 4.669 -10.764 700 HB2 ASP 92 1HB ASP 92 9.015 2.500 -12.846 701 HB3 ASP 92 2HB ASP 92 8.904 4.215 -13.234 702 H ASP 93 H ASP 93 6.772 1.828 -11.571 703 HA ASP 93 HA ASP 93 4.698 3.158 -12.924 704 HB2 ASP 93 1HB ASP 93 4.952 0.524 -11.528 705 HB3 ASP 93 2HB ASP 93 3.353 1.080 -12.016 706 H LEU 94 H LEU 94 5.197 2.446 -9.503 707 HA LEU 94 HA LEU 94 2.645 3.524 -8.723 708 HB2 LEU 94 1HB LEU 94 3.483 1.797 -7.356 709 HB3 LEU 94 2HB LEU 94 5.060 2.571 -7.213 710 HG LEU 94 HG LEU 94 4.126 4.277 -5.767 711 HD11 LEU 94 1HD1 LEU 94 1.504 2.876 -5.641 712 HD12 LEU 94 2HD1 LEU 94 1.805 4.002 -6.963 713 HD13 LEU 94 3HD1 LEU 94 1.905 4.557 -5.292 714 HD21 LEU 94 1HD2 LEU 94 4.714 2.785 -4.219 715 HD22 LEU 94 2HD2 LEU 94 4.079 1.436 -5.162 716 HD23 LEU 94 3HD2 LEU 94 3.003 2.368 -4.120 717 H TYR 95 H TYR 95 6.019 4.503 -8.093 718 HA TYR 95 HA TYR 95 5.494 6.951 -6.911 719 HB2 TYR 95 1HB TYR 95 7.721 5.947 -6.936 720 HB3 TYR 95 2HB TYR 95 7.831 6.192 -8.676 721 HD1 TYR 95 2HD TYR 95 7.016 8.282 -5.677 722 HD2 TYR 95 1HD TYR 95 9.191 7.931 -9.316 723 HE1 TYR 95 2HE TYR 95 8.001 10.503 -5.295 724 HE2 TYR 95 1HE TYR 95 10.183 10.150 -8.944 725 HH TYR 95 HH TYR 95 9.603 11.946 -5.962 726 H SER 96 H SER 96 6.495 6.500 -10.307 727 HA SER 96 HA SER 96 5.895 9.114 -11.118 728 HB2 SER 96 1HB SER 96 7.319 7.412 -12.350 729 HB3 SER 96 2HB SER 96 5.815 6.685 -12.913 730 HG SER 96 HG SER 96 6.971 9.143 -13.573 731 H GLY 97 H GLY 97 3.961 6.148 -11.209 732 HA2 GLY 97 1HA GLY 97 1.610 6.115 -10.939 733 HA3 GLY 97 2HA GLY 97 1.555 7.802 -11.428 734 H VAL 98 H VAL 98 3.096 5.047 -13.045 735 HA VAL 98 HA VAL 98 1.812 5.789 -15.532 736 HB VAL 98 HB VAL 98 3.725 3.529 -14.927 737 HG11 VAL 98 1HG1 VAL 98 3.939 4.057 -17.594 738 HG12 VAL 98 2HG1 VAL 98 2.987 2.746 -16.895 739 HG13 VAL 98 3HG1 VAL 98 2.211 4.272 -17.321 740 HG21 VAL 98 1HG2 VAL 98 4.086 6.370 -15.731 741 HG22 VAL 98 2HG2 VAL 98 5.054 5.372 -14.647 742 HG23 VAL 98 3HG2 VAL 98 5.190 5.164 -16.392 743 H ASN 99 H ASN 99 2.094 2.734 -13.703 744 HA ASN 99 HA ASN 99 -0.578 2.007 -14.711 745 HB2 ASN 99 1HB ASN 99 1.470 0.675 -15.560 746 HB3 ASN 99 2HB ASN 99 1.506 -0.023 -13.944 747 HD21 ASN 99 1HD2 ASN 99 0.876 -1.087 -16.692 748 HD22 ASN 99 2HD2 ASN 99 -0.632 -1.907 -16.494 749 H PHE 100 H PHE 100 -1.501 2.980 -12.830 750 HA PHE 100 HA PHE 100 -0.802 2.138 -10.201 751 HB2 PHE 100 1HB PHE 100 -1.880 4.298 -10.605 752 HB3 PHE 100 2HB PHE 100 -3.315 3.481 -11.217 753 HD1 PHE 100 2HD PHE 100 -1.159 3.536 -8.173 754 HD2 PHE 100 1HD PHE 100 -5.084 3.200 -9.785 755 HE1 PHE 100 2HE PHE 100 -2.085 3.470 -5.895 756 HE2 PHE 100 1HE PHE 100 -6.016 3.134 -7.509 757 HZ PHE 100 HZ PHE 100 -4.516 3.269 -5.560 758 H SER 101 H SER 101 -3.275 1.173 -12.524 759 HA SER 101 HA SER 101 -4.964 -0.370 -11.076 760 HB2 SER 101 1HB SER 101 -3.793 -0.797 -13.812 761 HB3 SER 101 2HB SER 101 -4.939 -1.953 -13.135 762 HG SER 101 HG SER 101 -5.629 0.087 -14.436 763 H LYS 102 H LYS 102 -1.661 -1.162 -11.963 764 HA LYS 102 HA LYS 102 -1.714 -3.874 -11.157 765 HB2 LYS 102 1HB LYS 102 0.447 -1.864 -11.666 766 HB3 LYS 102 2HB LYS 102 0.856 -3.399 -10.911 767 HG2 LYS 102 1HG LYS 102 -0.085 -4.594 -12.821 768 HG3 LYS 102 2HG LYS 102 -0.502 -3.055 -13.578 769 HD2 LYS 102 1HD LYS 102 1.515 -3.653 -14.594 770 HD3 LYS 102 2HD LYS 102 1.996 -2.497 -13.350 771 HE2 LYS 102 1HE LYS 102 3.528 -4.300 -13.227 772 HE3 LYS 102 2HE LYS 102 2.441 -4.471 -11.850 773 HZ1 LYS 102 1HZ LYS 102 1.852 -5.886 -14.361 774 HZ2 LYS 102 2HZ LYS 102 1.406 -6.285 -12.779 775 HZ3 LYS 102 3HZ LYS 102 3.000 -6.521 -13.293 776 H VAL 103 H VAL 103 -0.264 -1.050 -9.522 777 HA VAL 103 HA VAL 103 0.445 -2.202 -7.144 778 HB VAL 103 HB VAL 103 -0.722 0.555 -7.545 779 HG11 VAL 103 1HG1 VAL 103 0.023 -0.833 -5.143 780 HG12 VAL 103 2HG1 VAL 103 1.081 0.556 -5.401 781 HG13 VAL 103 3HG1 VAL 103 -0.668 0.778 -5.335 782 HG21 VAL 103 1HG2 VAL 103 2.162 0.178 -7.103 783 HG22 VAL 103 2HG2 VAL 103 1.546 -0.439 -8.636 784 HG23 VAL 103 3HG2 VAL 103 1.314 1.257 -8.211 785 H LEU 104 H LEU 104 -2.751 -0.991 -8.066 786 HA LEU 104 HA LEU 104 -4.031 -1.302 -5.603 787 HB2 LEU 104 1HB LEU 104 -5.005 -0.087 -7.478 788 HB3 LEU 104 2HB LEU 104 -5.164 -1.591 -8.382 789 HG LEU 104 HG LEU 104 -6.777 -2.392 -6.678 790 HD11 LEU 104 1HD1 LEU 104 -7.738 -0.754 -5.119 791 HD12 LEU 104 2HD1 LEU 104 -6.505 0.411 -5.601 792 HD13 LEU 104 3HD1 LEU 104 -6.037 -1.080 -4.783 793 HD21 LEU 104 1HD2 LEU 104 -8.590 -1.285 -7.603 794 HD22 LEU 104 2HD2 LEU 104 -7.334 -1.050 -8.819 795 HD23 LEU 104 3HD2 LEU 104 -7.733 0.254 -7.699 796 H SER 105 H SER 105 -3.883 -3.555 -8.359 797 HA SER 105 HA SER 105 -5.285 -5.644 -7.082 798 HB2 SER 105 1HB SER 105 -4.456 -7.063 -8.893 799 HB3 SER 105 2HB SER 105 -4.980 -5.505 -9.533 800 HG SER 105 HG SER 105 -2.301 -5.798 -8.791 801 H THR 106 H THR 106 -1.981 -4.610 -6.956 802 HA THR 106 HA THR 106 -0.818 -7.012 -6.017 803 HB THR 106 HB THR 106 0.048 -4.134 -5.734 804 HG1 THR 106 1HG THR 106 0.809 -6.304 -7.409 805 HG21 THR 106 1HG2 THR 106 2.315 -5.330 -5.231 806 HG22 THR 106 2HG2 THR 106 1.280 -6.653 -4.692 807 HG23 THR 106 3HG2 THR 106 1.155 -5.068 -3.929 808 H LEU 107 H LEU 107 -2.178 -4.194 -4.354 809 HA LEU 107 HA LEU 107 -1.575 -5.178 -1.737 810 HB2 LEU 107 1HB LEU 107 -3.326 -2.968 -2.773 811 HB3 LEU 107 2HB LEU 107 -3.239 -3.367 -1.058 812 HG LEU 107 HG LEU 107 -0.867 -2.538 -2.725 813 HD11 LEU 107 1HD1 LEU 107 -1.139 -0.356 -2.065 814 HD12 LEU 107 2HD1 LEU 107 -2.148 -0.783 -0.684 815 HD13 LEU 107 3HD1 LEU 107 -2.815 -0.846 -2.316 816 HD21 LEU 107 1HD2 LEU 107 -0.874 -2.211 0.192 817 HD22 LEU 107 2HD2 LEU 107 0.397 -2.790 -0.885 818 HD23 LEU 107 3HD2 LEU 107 -0.888 -3.883 -0.368 819 H LEU 108 H LEU 108 -4.223 -5.514 -3.963 820 HA LEU 108 HA LEU 108 -6.213 -6.333 -2.134 821 HB2 LEU 108 1HB LEU 108 -5.798 -6.562 -5.071 822 HB3 LEU 108 2HB LEU 108 -7.033 -7.571 -4.321 823 HG LEU 108 HG LEU 108 -6.956 -4.567 -4.087 824 HD11 LEU 108 1HD1 LEU 108 -8.575 -6.278 -5.968 825 HD12 LEU 108 2HD1 LEU 108 -7.236 -5.225 -6.425 826 HD13 LEU 108 3HD1 LEU 108 -8.717 -4.532 -5.765 827 HD21 LEU 108 1HD2 LEU 108 -9.482 -6.004 -3.802 828 HD22 LEU 108 2HD2 LEU 108 -8.778 -4.734 -2.801 829 HD23 LEU 108 3HD2 LEU 108 -8.290 -6.413 -2.568 830 H ALA 109 H ALA 109 -3.806 -8.128 -4.007 831 HA ALA 109 HA ALA 109 -4.679 -10.713 -3.289 832 HB1 ALA 109 1HB ALA 109 -2.937 -9.844 -5.089 833 HB2 ALA 109 2HB ALA 109 -1.794 -10.243 -3.806 834 HB3 ALA 109 3HB ALA 109 -2.874 -11.484 -4.442 835 H VAL 110 H VAL 110 -2.243 -8.554 -1.877 836 HA VAL 110 HA VAL 110 -1.192 -10.255 0.047 837 HB VAL 110 HB VAL 110 -1.660 -7.283 0.327 838 HG11 VAL 110 1HG1 VAL 110 -0.604 -9.211 2.138 839 HG12 VAL 110 2HG1 VAL 110 0.703 -8.145 1.618 840 HG13 VAL 110 3HG1 VAL 110 -0.754 -7.466 2.344 841 HG21 VAL 110 1HG2 VAL 110 0.960 -7.564 -0.285 842 HG22 VAL 110 2HG2 VAL 110 0.261 -8.879 -1.230 843 HG23 VAL 110 3HG2 VAL 110 -0.301 -7.224 -1.470 844 H ASN 111 H ASN 111 -4.056 -8.174 0.217 845 HA ASN 111 HA ASN 111 -4.662 -8.731 2.927 846 HB2 ASN 111 1HB ASN 111 -5.660 -6.787 2.066 847 HB3 ASN 111 2HB ASN 111 -6.241 -7.614 0.624 848 HD21 ASN 111 1HD2 ASN 111 -6.897 -6.739 3.857 849 HD22 ASN 111 2HD2 ASN 111 -8.468 -7.449 3.972 850 H LYS 112 H LYS 112 -5.692 -10.175 -0.128 851 HA LYS 112 HA LYS 112 -7.578 -11.960 1.043 852 HB2 LYS 112 1HB LYS 112 -7.505 -11.197 -1.378 853 HB3 LYS 112 2HB LYS 112 -6.173 -12.324 -1.602 854 HG2 LYS 112 1HG LYS 112 -7.932 -13.607 -2.287 855 HG3 LYS 112 2HG LYS 112 -7.865 -14.044 -0.577 856 HD2 LYS 112 1HD LYS 112 -9.681 -12.600 -0.053 857 HD3 LYS 112 2HD LYS 112 -9.626 -11.847 -1.649 858 HE2 LYS 112 1HE LYS 112 -10.063 -14.784 -1.493 859 HE3 LYS 112 2HE LYS 112 -11.396 -13.722 -1.044 860 HZ1 LYS 112 1HZ LYS 112 -10.510 -14.419 -3.614 861 HZ2 LYS 112 2HZ LYS 112 -10.302 -12.752 -3.418 862 HZ3 LYS 112 3HZ LYS 112 -11.826 -13.447 -3.183 863 H ALA 113 H ALA 113 -4.232 -11.890 1.086 864 HA ALA 113 HA ALA 113 -4.041 -14.806 1.446 865 HB1 ALA 113 1HB ALA 113 -1.976 -14.780 0.547 866 HB2 ALA 113 2HB ALA 113 -2.536 -13.273 -0.180 867 HB3 ALA 113 3HB ALA 113 -1.556 -13.234 1.286 868 H THR 114 H THR 114 -3.997 -11.829 3.081 869 HA THR 114 HA THR 114 -2.550 -12.946 5.377 870 HB THR 114 HB THR 114 -2.758 -10.568 6.274 871 HG1 THR 114 1HG THR 114 -2.968 -9.109 4.269 872 HG21 THR 114 1HG2 THR 114 -0.694 -10.177 5.470 873 HG22 THR 114 2HG2 THR 114 -1.228 -10.271 3.792 874 HG23 THR 114 3HG2 THR 114 -0.870 -11.747 4.687 875 H GLU 115 H GLU 115 -5.607 -11.337 4.546 876 HA GLU 115 HA GLU 115 -6.897 -11.144 6.901 877 HB2 GLU 115 1HB GLU 115 -8.880 -11.122 5.738 878 HB3 GLU 115 2HB GLU 115 -7.740 -10.870 4.424 879 HG2 GLU 115 1HG GLU 115 -8.823 -13.567 5.188 880 HG3 GLU 115 2HG GLU 115 -9.552 -12.527 3.966 881 H SER 116 H SER 116 -8.040 -12.445 8.315 882 HA SER 116 HA SER 116 -7.041 -15.048 8.736 883 HB2 SER 116 1HB SER 116 -8.569 -15.170 10.588 884 HB3 SER 116 2HB SER 116 -7.967 -13.514 10.507 885 HG SER 116 HG SER 116 -9.912 -12.832 10.061 886 H GLY 117 H GLY 117 -7.909 -17.062 8.382 887 HA2 GLY 117 1HA GLY 117 -9.868 -18.429 7.836 888 HA3 GLY 117 2HA GLY 117 -10.362 -17.150 6.738 889 HA PRO 118 HA PRO 118 -6.617 -19.583 4.795 890 HB2 PRO 118 1HB PRO 118 -6.375 -22.132 5.698 891 HB3 PRO 118 2HB PRO 118 -5.504 -20.772 6.416 892 HG2 PRO 118 1HG PRO 118 -8.015 -22.113 7.342 893 HG3 PRO 118 2HG PRO 118 -6.618 -21.575 8.293 894 HD2 PRO 118 1HD PRO 118 -8.914 -20.148 8.142 895 HD3 PRO 118 2HD PRO 118 -7.323 -19.381 8.321 896 H SER 119 H SER 119 -6.598 -21.549 3.315 897 HA SER 119 HA SER 119 -9.321 -22.513 2.768 898 HB2 SER 119 1HB SER 119 -8.522 -20.549 1.279 899 HB3 SER 119 2HB SER 119 -7.464 -21.743 0.528 900 HG SER 119 HG SER 119 -9.667 -22.964 0.494 901 H SER 120 H SER 120 -9.281 -24.646 2.942 902 HA SER 120 HA SER 120 -6.884 -26.177 2.758 903 HB2 SER 120 1HB SER 120 -8.277 -28.095 3.206 904 HB3 SER 120 2HB SER 120 -8.846 -26.762 4.210 905 HG SER 120 HG SER 120 -10.419 -28.107 2.884 906 H GLY 121 H GLY 121 -7.112 -28.342 1.384 907 HA2 GLY 121 1HA GLY 121 -7.617 -29.320 -0.716 908 HA3 GLY 121 2HA GLY 121 -8.113 -27.739 -1.303 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -29.805 -2.112 -2.415 2 HA2 GLY 1 1HA GLY 1 -29.539 -3.030 -5.188 3 HA3 GLY 1 2HA GLY 1 -28.885 -1.538 -4.528 4 H SER 2 H SER 2 -28.036 -4.459 -5.706 5 HA SER 2 HA SER 2 -25.912 -5.108 -3.866 6 HB2 SER 2 1HB SER 2 -25.323 -6.845 -5.525 7 HB3 SER 2 2HB SER 2 -27.034 -6.897 -5.102 8 HG SER 2 HG SER 2 -26.102 -5.454 -7.344 9 H SER 3 H SER 3 -24.773 -3.096 -3.873 10 HA SER 3 HA SER 3 -23.500 -2.244 -6.336 11 HB2 SER 3 1HB SER 3 -24.388 -0.753 -4.362 12 HB3 SER 3 2HB SER 3 -22.812 -1.101 -3.652 13 HG SER 3 HG SER 3 -21.853 0.062 -5.163 14 H GLY 4 H GLY 4 -21.875 -3.511 -7.007 15 HA2 GLY 4 1HA GLY 4 -20.114 -4.830 -5.128 16 HA3 GLY 4 2HA GLY 4 -20.043 -4.937 -6.881 17 H SER 5 H SER 5 -18.249 -4.087 -4.377 18 HA SER 5 HA SER 5 -17.227 -1.557 -5.356 19 HB2 SER 5 1HB SER 5 -15.649 -1.742 -3.442 20 HB3 SER 5 2HB SER 5 -17.336 -1.885 -2.949 21 HG SER 5 HG SER 5 -16.362 -3.549 -1.950 22 H SER 6 H SER 6 -15.348 -1.234 -6.439 23 HA SER 6 HA SER 6 -14.248 -3.415 -7.897 24 HB2 SER 6 1HB SER 6 -14.384 -1.131 -8.825 25 HB3 SER 6 2HB SER 6 -13.216 -0.580 -7.624 26 HG SER 6 HG SER 6 -11.961 -2.499 -8.655 27 H GLY 7 H GLY 7 -12.824 -1.229 -5.460 28 HA2 GLY 7 1HA GLY 7 -11.582 -3.028 -3.853 29 HA3 GLY 7 2HA GLY 7 -10.475 -2.884 -5.210 30 H GLU 8 H GLU 8 -10.759 -0.169 -5.785 31 HA GLU 8 HA GLU 8 -8.857 1.075 -4.362 32 HB2 GLU 8 1HB GLU 8 -11.388 2.337 -5.423 33 HB3 GLU 8 2HB GLU 8 -9.982 3.249 -4.893 34 HG2 GLU 8 1HG GLU 8 -8.732 2.652 -6.705 35 HG3 GLU 8 2HG GLU 8 -9.597 1.135 -6.942 36 H GLU 9 H GLU 9 -12.318 1.427 -3.564 37 HA GLU 9 HA GLU 9 -11.966 2.840 -1.185 38 HB2 GLU 9 1HB GLU 9 -14.134 2.732 -2.219 39 HB3 GLU 9 2HB GLU 9 -14.181 0.982 -2.055 40 HG2 GLU 9 1HG GLU 9 -13.952 2.695 0.376 41 HG3 GLU 9 2HG GLU 9 -15.515 2.480 -0.411 42 H GLN 10 H GLN 10 -12.286 -0.655 -1.724 43 HA GLN 10 HA GLN 10 -12.302 -1.546 0.883 44 HB2 GLN 10 1HB GLN 10 -11.314 -2.700 -1.685 45 HB3 GLN 10 2HB GLN 10 -10.917 -3.533 -0.188 46 HG2 GLN 10 1HG GLN 10 -13.487 -3.284 0.262 47 HG3 GLN 10 2HG GLN 10 -13.557 -3.129 -1.492 48 HE21 GLN 10 1HE2 GLN 10 -14.380 -5.012 -2.132 49 HE22 GLN 10 2HE2 GLN 10 -13.726 -6.565 -1.754 50 H ILE 11 H ILE 11 -9.465 -0.890 -1.159 51 HA ILE 11 HA ILE 11 -7.519 -1.580 0.743 52 HB ILE 11 HB ILE 11 -7.311 0.428 -1.504 53 HG12 ILE 11 1HG1 ILE 11 -7.907 -1.692 -2.425 54 HG13 ILE 11 2HG1 ILE 11 -6.173 -1.512 -2.663 55 HG21 ILE 11 1HG2 ILE 11 -5.573 0.343 0.464 56 HG22 ILE 11 2HG2 ILE 11 -4.981 -1.069 -0.411 57 HG23 ILE 11 3HG2 ILE 11 -5.040 0.503 -1.209 58 HD11 ILE 11 1HD1 ILE 11 -6.217 -2.792 -0.289 59 HD12 ILE 11 2HD1 ILE 11 -7.669 -3.447 -1.048 60 HD13 ILE 11 3HD1 ILE 11 -6.107 -3.596 -1.854 61 H VAL 12 H VAL 12 -8.740 1.645 -0.172 62 HA VAL 12 HA VAL 12 -7.335 3.213 1.579 63 HB VAL 12 HB VAL 12 -10.240 3.535 0.814 64 HG11 VAL 12 1HG1 VAL 12 -8.709 5.951 1.347 65 HG12 VAL 12 2HG1 VAL 12 -10.312 5.477 1.914 66 HG13 VAL 12 3HG1 VAL 12 -8.872 4.916 2.765 67 HG21 VAL 12 1HG2 VAL 12 -7.673 4.118 -0.540 68 HG22 VAL 12 2HG2 VAL 12 -9.237 3.670 -1.220 69 HG23 VAL 12 3HG2 VAL 12 -8.949 5.326 -0.688 70 H THR 13 H THR 13 -10.615 1.972 2.249 71 HA THR 13 HA THR 13 -10.656 2.689 4.952 72 HB THR 13 HB THR 13 -12.136 0.377 3.684 73 HG1 THR 13 1HG THR 13 -13.525 1.829 2.922 74 HG21 THR 13 1HG2 THR 13 -13.811 0.879 5.458 75 HG22 THR 13 2HG2 THR 13 -12.662 2.015 6.165 76 HG23 THR 13 3HG2 THR 13 -12.271 0.297 6.088 77 H TRP 14 H TRP 14 -9.543 -0.248 3.352 78 HA TRP 14 HA TRP 14 -9.214 -1.874 5.598 79 HB2 TRP 14 1HB TRP 14 -9.046 -2.832 3.404 80 HB3 TRP 14 2HB TRP 14 -7.694 -1.782 2.989 81 HD1 TRP 14 HD TRP 14 -8.037 -3.942 6.184 82 HE1 TRP 14 1HE TRP 14 -6.036 -5.558 6.269 83 HE3 TRP 14 3HE TRP 14 -5.881 -2.801 1.691 84 HZ2 TRP 14 2HZ TRP 14 -3.834 -6.257 4.646 85 HZ3 TRP 14 3HZ TRP 14 -3.829 -3.989 1.032 86 HH2 TRP 14 HH TRP 14 -2.828 -5.680 2.480 87 H LEU 15 H LEU 15 -6.646 -0.064 3.901 88 HA LEU 15 HA LEU 15 -4.562 -0.424 5.595 89 HB2 LEU 15 1HB LEU 15 -5.373 2.127 4.213 90 HB3 LEU 15 2HB LEU 15 -3.800 1.868 4.964 91 HG LEU 15 HG LEU 15 -4.850 0.163 2.714 92 HD11 LEU 15 1HD1 LEU 15 -2.993 1.616 1.502 93 HD12 LEU 15 2HD1 LEU 15 -3.524 2.814 2.681 94 HD13 LEU 15 3HD1 LEU 15 -4.685 2.111 1.556 95 HD21 LEU 15 1HD2 LEU 15 -2.802 -0.298 4.442 96 HD22 LEU 15 2HD2 LEU 15 -1.973 0.544 3.132 97 HD23 LEU 15 3HD2 LEU 15 -2.890 -0.926 2.796 98 H ILE 16 H ILE 16 -6.892 2.262 5.900 99 HA ILE 16 HA ILE 16 -5.962 3.342 8.267 100 HB ILE 16 HB ILE 16 -8.820 3.158 7.311 101 HG12 ILE 16 1HG1 ILE 16 -6.906 5.486 7.129 102 HG13 ILE 16 2HG1 ILE 16 -7.099 4.305 5.838 103 HG21 ILE 16 1HG2 ILE 16 -9.138 3.742 9.503 104 HG22 ILE 16 2HG2 ILE 16 -7.571 4.539 9.633 105 HG23 ILE 16 3HG2 ILE 16 -8.896 5.334 8.784 106 HD11 ILE 16 1HD1 ILE 16 -9.625 5.416 6.754 107 HD12 ILE 16 2HD1 ILE 16 -8.514 6.627 6.113 108 HD13 ILE 16 3HD1 ILE 16 -8.981 5.246 5.121 109 H SER 17 H SER 17 -8.538 0.905 7.894 110 HA SER 17 HA SER 17 -9.229 0.456 10.485 111 HB2 SER 17 1HB SER 17 -9.949 -0.748 8.258 112 HB3 SER 17 2HB SER 17 -8.746 -1.940 8.751 113 HG SER 17 HG SER 17 -11.131 -1.181 10.041 114 H LEU 18 H LEU 18 -6.528 -1.140 8.797 115 HA LEU 18 HA LEU 18 -5.586 -2.648 10.939 116 HB2 LEU 18 1HB LEU 18 -4.310 -1.522 8.482 117 HB3 LEU 18 2HB LEU 18 -3.319 -2.332 9.693 118 HG LEU 18 HG LEU 18 -5.664 -3.611 8.293 119 HD11 LEU 18 1HD1 LEU 18 -2.893 -3.208 7.454 120 HD12 LEU 18 2HD1 LEU 18 -4.313 -3.661 6.512 121 HD13 LEU 18 3HD1 LEU 18 -3.421 -4.890 7.409 122 HD21 LEU 18 1HD2 LEU 18 -3.516 -5.217 9.498 123 HD22 LEU 18 2HD2 LEU 18 -5.262 -5.465 9.503 124 HD23 LEU 18 3HD2 LEU 18 -4.528 -4.332 10.639 125 H GLY 19 H GLY 19 -4.802 0.670 9.972 126 HA2 GLY 19 1HA GLY 19 -4.453 2.268 11.806 127 HA3 GLY 19 2HA GLY 19 -3.517 1.017 12.611 128 H VAL 20 H VAL 20 -3.347 1.837 9.188 129 HA VAL 20 HA VAL 20 -0.584 2.768 9.634 130 HB VAL 20 HB VAL 20 -0.131 1.996 7.291 131 HG11 VAL 20 1HG1 VAL 20 -1.027 -0.254 9.077 132 HG12 VAL 20 2HG1 VAL 20 0.300 -0.248 7.914 133 HG13 VAL 20 3HG1 VAL 20 0.417 0.707 9.392 134 HG21 VAL 20 1HG2 VAL 20 -2.759 0.549 7.607 135 HG22 VAL 20 2HG2 VAL 20 -2.491 1.942 6.558 136 HG23 VAL 20 3HG2 VAL 20 -1.644 0.426 6.245 137 H LEU 21 H LEU 21 -3.604 3.278 7.942 138 HA LEU 21 HA LEU 21 -2.535 5.710 6.697 139 HB2 LEU 21 1HB LEU 21 -3.697 4.134 5.233 140 HB3 LEU 21 2HB LEU 21 -5.140 4.261 6.237 141 HG LEU 21 HG LEU 21 -5.244 6.690 5.616 142 HD11 LEU 21 1HD1 LEU 21 -3.271 5.938 3.473 143 HD12 LEU 21 2HD1 LEU 21 -2.826 6.804 4.943 144 HD13 LEU 21 3HD1 LEU 21 -3.963 7.527 3.805 145 HD21 LEU 21 1HD2 LEU 21 -6.817 5.662 4.384 146 HD22 LEU 21 2HD2 LEU 21 -5.724 4.377 3.871 147 HD23 LEU 21 3HD2 LEU 21 -5.696 5.939 3.050 148 H GLU 22 H GLU 22 -3.810 7.677 6.783 149 HA GLU 22 HA GLU 22 -4.856 8.123 9.444 150 HB2 GLU 22 1HB GLU 22 -4.039 9.844 7.152 151 HB3 GLU 22 2HB GLU 22 -5.169 10.512 8.323 152 HG2 GLU 22 1HG GLU 22 -3.571 10.035 10.120 153 HG3 GLU 22 2HG GLU 22 -2.435 9.408 8.927 154 H SER 23 H SER 23 -6.913 9.029 9.899 155 HA SER 23 HA SER 23 -8.951 8.316 7.899 156 HB2 SER 23 1HB SER 23 -10.492 7.979 9.740 157 HB3 SER 23 2HB SER 23 -9.018 7.064 10.057 158 HG SER 23 HG SER 23 -9.600 9.633 11.115 159 HA PRO 24 HA PRO 24 -9.172 12.890 7.986 160 HB2 PRO 24 1HB PRO 24 -10.017 13.100 5.415 161 HB3 PRO 24 2HB PRO 24 -8.312 12.947 5.857 162 HG2 PRO 24 1HG PRO 24 -10.215 10.847 4.891 163 HG3 PRO 24 2HG PRO 24 -8.526 11.125 4.427 164 HD2 PRO 24 1HD PRO 24 -9.255 9.206 6.192 165 HD3 PRO 24 2HD PRO 24 -7.705 10.065 6.302 166 H LYS 25 H LYS 25 -10.951 14.200 8.214 167 HA LYS 25 HA LYS 25 -13.492 12.867 8.541 168 HB2 LYS 25 1HB LYS 25 -12.393 14.780 9.986 169 HB3 LYS 25 2HB LYS 25 -13.168 15.828 8.805 170 HG2 LYS 25 1HG LYS 25 -15.301 14.483 9.346 171 HG3 LYS 25 2HG LYS 25 -14.420 13.973 10.788 172 HD2 LYS 25 1HD LYS 25 -15.616 15.861 11.482 173 HD3 LYS 25 2HD LYS 25 -13.988 16.470 11.175 174 HE2 LYS 25 1HE LYS 25 -15.236 18.057 10.092 175 HE3 LYS 25 2HE LYS 25 -14.956 16.918 8.775 176 HZ1 LYS 25 1HZ LYS 25 -17.109 16.182 8.830 177 HZ2 LYS 25 2HZ LYS 25 -17.335 17.803 9.257 178 HZ3 LYS 25 3HZ LYS 25 -17.348 16.605 10.451 179 H LYS 26 H LYS 26 -13.053 12.574 5.977 180 HA LYS 26 HA LYS 26 -15.083 14.234 4.747 181 HB2 LYS 26 1HB LYS 26 -13.811 15.183 3.058 182 HB3 LYS 26 2HB LYS 26 -12.724 15.296 4.436 183 HG2 LYS 26 1HG LYS 26 -11.494 13.368 3.687 184 HG3 LYS 26 2HG LYS 26 -12.642 13.104 2.373 185 HD2 LYS 26 1HD LYS 26 -11.300 15.753 2.552 186 HD3 LYS 26 2HD LYS 26 -10.350 14.375 1.990 187 HE2 LYS 26 1HE LYS 26 -13.046 14.992 0.827 188 HE3 LYS 26 2HE LYS 26 -11.593 15.804 0.246 189 HZ1 LYS 26 1HZ LYS 26 -11.398 14.059 -1.103 190 HZ2 LYS 26 2HZ LYS 26 -12.500 13.121 -0.227 191 HZ3 LYS 26 3HZ LYS 26 -10.880 13.192 0.254 192 H THR 27 H THR 27 -15.247 13.494 2.298 193 HA THR 27 HA THR 27 -15.115 10.548 2.307 194 HB THR 27 HB THR 27 -17.043 11.976 0.534 195 HG1 THR 27 1HG THR 27 -17.828 11.333 3.163 196 HG21 THR 27 1HG2 THR 27 -18.396 9.982 0.981 197 HG22 THR 27 2HG2 THR 27 -17.173 9.403 2.113 198 HG23 THR 27 3HG2 THR 27 -16.791 9.546 0.397 199 H ILE 28 H ILE 28 -13.501 9.897 1.041 200 HA ILE 28 HA ILE 28 -12.558 11.474 -1.172 201 HB ILE 28 HB ILE 28 -11.775 8.677 -0.344 202 HG12 ILE 28 1HG1 ILE 28 -10.082 11.093 0.132 203 HG13 ILE 28 2HG1 ILE 28 -11.429 10.782 1.222 204 HG21 ILE 28 1HG2 ILE 28 -10.865 8.714 -2.407 205 HG22 ILE 28 2HG2 ILE 28 -10.914 10.473 -2.514 206 HG23 ILE 28 3HG2 ILE 28 -9.622 9.680 -1.613 207 HD11 ILE 28 1HD1 ILE 28 -9.502 9.825 2.196 208 HD12 ILE 28 2HD1 ILE 28 -10.472 8.490 1.574 209 HD13 ILE 28 3HD1 ILE 28 -9.048 9.034 0.687 210 H CYS 29 H CYS 29 -14.144 11.582 -2.725 211 HA CYS 29 HA CYS 29 -15.684 9.403 -3.625 212 HB2 CYS 29 1HB CYS 29 -16.048 11.943 -3.975 213 HB3 CYS 29 2HB CYS 29 -14.987 11.753 -5.366 214 HG CYS 29 HG CYS 29 -17.039 9.396 -5.827 215 H ASP 30 H ASP 30 -12.662 10.814 -4.810 216 HA ASP 30 HA ASP 30 -12.400 8.554 -6.677 217 HB2 ASP 30 1HB ASP 30 -10.720 11.049 -6.764 218 HB3 ASP 30 2HB ASP 30 -11.042 9.893 -8.055 219 HA PRO 31 HA PRO 31 -9.394 7.606 -3.316 220 HB2 PRO 31 1HB PRO 31 -9.766 4.920 -3.451 221 HB3 PRO 31 2HB PRO 31 -10.800 5.987 -2.492 222 HG2 PRO 31 1HG PRO 31 -11.276 4.830 -5.212 223 HG3 PRO 31 2HG PRO 31 -12.400 4.984 -3.849 224 HD2 PRO 31 1HD PRO 31 -12.407 6.700 -5.943 225 HD3 PRO 31 2HD PRO 31 -12.836 7.202 -4.295 226 H GLU 32 H GLU 32 -9.804 6.560 -6.604 227 HA GLU 32 HA GLU 32 -7.611 4.949 -7.031 228 HB2 GLU 32 1HB GLU 32 -9.400 5.598 -8.698 229 HB3 GLU 32 2HB GLU 32 -8.514 7.095 -8.952 230 HG2 GLU 32 1HG GLU 32 -6.593 5.869 -9.745 231 HG3 GLU 32 2HG GLU 32 -7.393 4.338 -9.396 232 H GLU 33 H GLU 33 -7.702 8.494 -7.435 233 HA GLU 33 HA GLU 33 -4.879 8.702 -7.766 234 HB2 GLU 33 1HB GLU 33 -7.154 10.601 -7.519 235 HB3 GLU 33 2HB GLU 33 -5.546 11.218 -7.166 236 HG2 GLU 33 1HG GLU 33 -6.367 9.861 -9.724 237 HG3 GLU 33 2HG GLU 33 -6.211 11.602 -9.491 238 H PHE 34 H PHE 34 -7.075 9.580 -5.103 239 HA PHE 34 HA PHE 34 -5.288 10.559 -3.279 240 HB2 PHE 34 1HB PHE 34 -7.653 10.560 -2.810 241 HB3 PHE 34 2HB PHE 34 -7.697 8.800 -2.790 242 HD1 PHE 34 1HD PHE 34 -6.781 7.553 -0.907 243 HD2 PHE 34 2HD PHE 34 -6.851 11.809 -0.929 244 HE1 PHE 34 1HE PHE 34 -6.366 7.569 1.518 245 HE2 PHE 34 2HE PHE 34 -6.435 11.831 1.496 246 HZ PHE 34 HZ PHE 34 -6.191 9.710 2.723 247 H LEU 35 H LEU 35 -5.882 7.199 -4.117 248 HA LEU 35 HA LEU 35 -4.310 6.091 -2.015 249 HB2 LEU 35 1HB LEU 35 -5.557 5.074 -4.517 250 HB3 LEU 35 2HB LEU 35 -4.306 4.100 -3.749 251 HG LEU 35 HG LEU 35 -6.768 5.033 -2.290 252 HD11 LEU 35 1HD1 LEU 35 -6.446 2.279 -3.413 253 HD12 LEU 35 2HD1 LEU 35 -7.159 3.568 -4.381 254 HD13 LEU 35 3HD1 LEU 35 -7.906 3.097 -2.855 255 HD21 LEU 35 1HD2 LEU 35 -4.390 3.485 -1.631 256 HD22 LEU 35 2HD2 LEU 35 -5.892 2.650 -1.234 257 HD23 LEU 35 3HD2 LEU 35 -5.573 4.255 -0.572 258 H LYS 36 H LYS 36 -3.699 6.786 -5.438 259 HA LYS 36 HA LYS 36 -1.104 5.742 -5.577 260 HB2 LYS 36 1HB LYS 36 -2.338 8.038 -7.109 261 HB3 LYS 36 2HB LYS 36 -0.824 7.251 -7.534 262 HG2 LYS 36 1HG LYS 36 -1.869 5.306 -8.212 263 HG3 LYS 36 2HG LYS 36 -3.325 5.639 -7.271 264 HD2 LYS 36 1HD LYS 36 -4.103 6.156 -9.354 265 HD3 LYS 36 2HD LYS 36 -3.449 7.730 -8.896 266 HE2 LYS 36 1HE LYS 36 -1.897 5.657 -10.435 267 HE3 LYS 36 2HE LYS 36 -2.831 6.942 -11.198 268 HZ1 LYS 36 1HZ LYS 36 -1.461 8.540 -9.896 269 HZ2 LYS 36 2HZ LYS 36 -0.592 7.664 -11.053 270 HZ3 LYS 36 3HZ LYS 36 -0.480 7.247 -9.417 271 H SER 37 H SER 37 -2.302 8.846 -4.461 272 HA SER 37 HA SER 37 0.264 10.087 -4.284 273 HB2 SER 37 1HB SER 37 -0.868 11.899 -3.197 274 HB3 SER 37 2HB SER 37 -1.943 11.305 -4.462 275 HG SER 37 HG SER 37 -3.340 11.106 -2.913 276 H SER 38 H SER 38 -1.868 8.439 -1.993 277 HA SER 38 HA SER 38 -0.250 8.917 0.291 278 HB2 SER 38 1HB SER 38 -2.602 8.370 0.552 279 HB3 SER 38 2HB SER 38 -2.360 6.810 -0.233 280 HG SER 38 HG SER 38 -1.167 6.129 1.509 281 H LEU 39 H LEU 39 -0.465 6.279 -2.041 282 HA LEU 39 HA LEU 39 1.430 4.624 -0.660 283 HB2 LEU 39 1HB LEU 39 0.474 4.443 -3.512 284 HB3 LEU 39 2HB LEU 39 1.297 3.180 -2.599 285 HG LEU 39 HG LEU 39 -1.346 4.245 -1.672 286 HD11 LEU 39 1HD1 LEU 39 -2.393 2.363 -2.935 287 HD12 LEU 39 2HD1 LEU 39 -0.874 2.178 -3.811 288 HD13 LEU 39 3HD1 LEU 39 -1.792 3.678 -3.946 289 HD21 LEU 39 1HD2 LEU 39 -1.498 1.865 -0.859 290 HD22 LEU 39 2HD2 LEU 39 -0.251 2.854 -0.098 291 HD23 LEU 39 3HD2 LEU 39 0.189 1.678 -1.337 292 H LYS 40 H LYS 40 1.517 6.853 -3.391 293 HA LYS 40 HA LYS 40 3.880 6.437 -4.591 294 HB2 LYS 40 1HB LYS 40 2.549 8.321 -5.226 295 HB3 LYS 40 2HB LYS 40 2.746 9.070 -3.648 296 HG2 LYS 40 1HG LYS 40 5.220 9.197 -4.170 297 HG3 LYS 40 2HG LYS 40 4.789 8.765 -5.826 298 HD2 LYS 40 1HD LYS 40 3.487 10.732 -6.093 299 HD3 LYS 40 2HD LYS 40 3.554 11.091 -4.366 300 HE2 LYS 40 1HE LYS 40 6.021 11.371 -4.593 301 HE3 LYS 40 2HE LYS 40 5.836 11.180 -6.335 302 HZ1 LYS 40 1HZ LYS 40 5.716 13.422 -6.203 303 HZ2 LYS 40 2HZ LYS 40 5.108 13.428 -4.625 304 HZ3 LYS 40 3HZ LYS 40 4.080 13.095 -5.927 305 H ASN 41 H ASN 41 3.575 8.296 -1.562 306 HA ASN 41 HA ASN 41 6.194 8.869 -1.055 307 HB2 ASN 41 1HB ASN 41 3.882 8.228 0.731 308 HB3 ASN 41 2HB ASN 41 5.480 8.423 1.445 309 HD21 ASN 41 1HD2 ASN 41 5.238 10.311 2.480 310 HD22 ASN 41 2HD2 ASN 41 4.846 11.808 1.712 311 H GLY 42 H GLY 42 4.514 5.842 -0.238 312 HA2 GLY 42 1HA GLY 42 5.593 3.717 -0.468 313 HA3 GLY 42 2HA GLY 42 7.137 4.511 -0.195 314 H VAL 43 H VAL 43 6.380 6.020 2.093 315 HA VAL 43 HA VAL 43 6.994 4.264 4.145 316 HB VAL 43 HB VAL 43 7.310 6.594 4.515 317 HG11 VAL 43 1HG1 VAL 43 5.007 7.910 4.899 318 HG12 VAL 43 2HG1 VAL 43 5.844 7.862 3.346 319 HG13 VAL 43 3HG1 VAL 43 4.490 6.774 3.653 320 HG21 VAL 43 1HG2 VAL 43 6.079 6.958 6.645 321 HG22 VAL 43 2HG2 VAL 43 5.107 5.532 6.280 322 HG23 VAL 43 3HG2 VAL 43 6.845 5.373 6.532 323 H VAL 44 H VAL 44 3.871 5.171 2.837 324 HA VAL 44 HA VAL 44 2.254 4.142 4.905 325 HB VAL 44 HB VAL 44 1.719 4.618 1.980 326 HG11 VAL 44 1HG1 VAL 44 -0.653 4.216 2.445 327 HG12 VAL 44 2HG1 VAL 44 0.313 2.760 2.694 328 HG13 VAL 44 3HG1 VAL 44 -0.243 3.699 4.080 329 HG21 VAL 44 1HG2 VAL 44 1.792 6.278 4.249 330 HG22 VAL 44 2HG2 VAL 44 1.247 6.692 2.623 331 HG23 VAL 44 3HG2 VAL 44 0.092 6.096 3.815 332 H LEU 45 H LEU 45 3.693 2.667 2.051 333 HA LEU 45 HA LEU 45 2.312 0.172 2.366 334 HB2 LEU 45 1HB LEU 45 4.664 1.022 0.694 335 HB3 LEU 45 2HB LEU 45 4.023 -0.619 0.683 336 HG LEU 45 HG LEU 45 2.176 1.646 0.092 337 HD11 LEU 45 1HD1 LEU 45 4.157 0.493 -1.866 338 HD12 LEU 45 2HD1 LEU 45 4.102 2.157 -1.285 339 HD13 LEU 45 3HD1 LEU 45 2.791 1.528 -2.283 340 HD21 LEU 45 1HD2 LEU 45 2.434 -1.201 -0.871 341 HD22 LEU 45 2HD2 LEU 45 1.197 -0.062 -1.403 342 HD23 LEU 45 3HD2 LEU 45 1.255 -0.577 0.284 343 H CYS 46 H CYS 46 5.530 1.405 3.155 344 HA CYS 46 HA CYS 46 6.688 -0.994 4.004 345 HB2 CYS 46 1HB CYS 46 7.210 1.896 4.498 346 HB3 CYS 46 2HB CYS 46 7.984 0.735 5.569 347 HG CYS 46 HG CYS 46 8.413 1.069 2.200 348 H LYS 47 H LYS 47 4.643 1.317 5.696 349 HA LYS 47 HA LYS 47 4.949 0.107 8.266 350 HB2 LYS 47 1HB LYS 47 2.987 2.094 7.133 351 HB3 LYS 47 2HB LYS 47 2.864 1.498 8.783 352 HG2 LYS 47 1HG LYS 47 5.158 2.333 9.205 353 HG3 LYS 47 2HG LYS 47 5.162 3.029 7.583 354 HD2 LYS 47 1HD LYS 47 3.460 4.560 8.121 355 HD3 LYS 47 2HD LYS 47 3.019 3.681 9.587 356 HE2 LYS 47 1HE LYS 47 5.375 4.228 10.409 357 HE3 LYS 47 2HE LYS 47 5.442 5.384 9.080 358 HZ1 LYS 47 1HZ LYS 47 3.987 5.522 11.573 359 HZ2 LYS 47 2HZ LYS 47 3.092 5.993 10.217 360 HZ3 LYS 47 3HZ LYS 47 4.552 6.769 10.578 361 H LEU 48 H LEU 48 2.895 -0.430 5.523 362 HA LEU 48 HA LEU 48 0.845 -1.868 6.875 363 HB2 LEU 48 1HB LEU 48 0.329 -0.937 4.760 364 HB3 LEU 48 2HB LEU 48 1.709 -1.727 3.999 365 HG LEU 48 HG LEU 48 0.532 -3.924 4.465 366 HD11 LEU 48 1HD1 LEU 48 -1.510 -4.015 5.377 367 HD12 LEU 48 2HD1 LEU 48 -2.066 -2.577 4.522 368 HD13 LEU 48 3HD1 LEU 48 -1.126 -2.412 6.006 369 HD21 LEU 48 1HD2 LEU 48 0.077 -1.938 2.431 370 HD22 LEU 48 2HD2 LEU 48 -1.357 -2.938 2.659 371 HD23 LEU 48 3HD2 LEU 48 0.193 -3.692 2.282 372 H ILE 49 H ILE 49 3.328 -3.071 4.610 373 HA ILE 49 HA ILE 49 3.026 -5.764 5.051 374 HB ILE 49 HB ILE 49 4.509 -4.825 3.326 375 HG12 ILE 49 1HG1 ILE 49 6.478 -6.437 3.782 376 HG13 ILE 49 2HG1 ILE 49 5.610 -6.857 5.254 377 HG21 ILE 49 1HG2 ILE 49 5.524 -3.078 4.756 378 HG22 ILE 49 2HG2 ILE 49 6.456 -4.331 5.573 379 HG23 ILE 49 3HG2 ILE 49 6.716 -4.017 3.857 380 HD11 ILE 49 1HD1 ILE 49 3.668 -7.498 3.883 381 HD12 ILE 49 2HD1 ILE 49 4.615 -7.162 2.433 382 HD13 ILE 49 3HD1 ILE 49 5.110 -8.450 3.531 383 H ASN 50 H ASN 50 4.592 -3.401 7.084 384 HA ASN 50 HA ASN 50 6.041 -5.186 8.728 385 HB2 ASN 50 1HB ASN 50 5.170 -2.345 8.907 386 HB3 ASN 50 2HB ASN 50 5.648 -3.139 10.404 387 HD21 ASN 50 1HD2 ASN 50 6.837 -1.018 8.560 388 HD22 ASN 50 2HD2 ASN 50 8.478 -1.524 8.368 389 H ARG 51 H ARG 51 2.778 -3.841 8.941 390 HA ARG 51 HA ARG 51 2.186 -4.990 11.478 391 HB2 ARG 51 1HB ARG 51 0.988 -3.027 10.582 392 HB3 ARG 51 2HB ARG 51 0.300 -4.035 9.316 393 HG2 ARG 51 1HG ARG 51 -1.429 -4.058 10.782 394 HG3 ARG 51 2HG ARG 51 -0.527 -5.446 11.396 395 HD2 ARG 51 1HD ARG 51 0.037 -2.708 12.454 396 HD3 ARG 51 2HD ARG 51 -1.365 -3.604 13.038 397 HE ARG 51 HE ARG 51 1.123 -5.066 13.122 398 HH11 ARG 51 1HH1 ARG 51 -1.049 -2.942 14.823 399 HH12 ARG 51 2HH1 ARG 51 -0.469 -3.392 16.392 400 HH21 ARG 51 1HH2 ARG 51 1.895 -5.667 15.182 401 HH22 ARG 51 2HH2 ARG 51 1.206 -4.941 16.595 402 H LEU 52 H LEU 52 1.764 -6.020 8.145 403 HA LEU 52 HA LEU 52 0.092 -8.243 8.687 404 HB2 LEU 52 1HB LEU 52 1.998 -7.926 6.378 405 HB3 LEU 52 2HB LEU 52 0.560 -8.943 6.444 406 HG LEU 52 HG LEU 52 0.549 -5.925 6.482 407 HD11 LEU 52 1HD1 LEU 52 -0.628 -6.525 4.182 408 HD12 LEU 52 2HD1 LEU 52 0.444 -7.920 4.291 409 HD13 LEU 52 3HD1 LEU 52 1.116 -6.290 4.311 410 HD21 LEU 52 1HD2 LEU 52 -1.548 -8.021 6.707 411 HD22 LEU 52 2HD2 LEU 52 -1.922 -6.557 5.797 412 HD23 LEU 52 3HD2 LEU 52 -1.434 -6.443 7.489 413 H MET 53 H MET 53 3.597 -7.971 8.135 414 HA MET 53 HA MET 53 3.907 -10.577 9.474 415 HB2 MET 53 1HB MET 53 5.468 -9.463 7.141 416 HB3 MET 53 2HB MET 53 5.959 -10.882 8.056 417 HG2 MET 53 1HG MET 53 3.659 -11.829 7.466 418 HG3 MET 53 2HG MET 53 3.580 -10.536 6.272 419 HE1 MET 53 1HE MET 53 5.462 -14.538 5.798 420 HE2 MET 53 2HE MET 53 4.878 -13.874 7.325 421 HE3 MET 53 3HE MET 53 3.773 -14.052 5.961 422 HA PRO 54 HA PRO 54 6.343 -8.266 12.357 423 HB2 PRO 54 1HB PRO 54 7.397 -10.386 13.686 424 HB3 PRO 54 2HB PRO 54 5.726 -9.852 13.900 425 HG2 PRO 54 1HG PRO 54 6.800 -12.089 12.226 426 HG3 PRO 54 2HG PRO 54 5.369 -12.062 13.272 427 HD2 PRO 54 1HD PRO 54 5.214 -11.784 10.583 428 HD3 PRO 54 2HD PRO 54 4.079 -10.987 11.692 429 H GLY 55 H GLY 55 8.014 -7.272 11.318 430 HA2 GLY 55 1HA GLY 55 10.358 -7.048 11.113 431 HA3 GLY 55 2HA GLY 55 10.502 -8.800 11.112 432 H SER 56 H SER 56 8.748 -6.409 9.128 433 HA SER 56 HA SER 56 9.516 -7.899 6.739 434 HB2 SER 56 1HB SER 56 7.599 -5.589 7.129 435 HB3 SER 56 2HB SER 56 7.912 -6.376 5.582 436 HG SER 56 HG SER 56 6.351 -7.189 7.667 437 H VAL 57 H VAL 57 9.455 -4.474 7.740 438 HA VAL 57 HA VAL 57 11.741 -4.000 5.944 439 HB VAL 57 HB VAL 57 9.704 -2.043 7.015 440 HG11 VAL 57 1HG1 VAL 57 11.414 -1.102 4.872 441 HG12 VAL 57 2HG1 VAL 57 11.018 -0.346 6.416 442 HG13 VAL 57 3HG1 VAL 57 12.332 -1.519 6.318 443 HG21 VAL 57 1HG2 VAL 57 8.762 -3.404 5.280 444 HG22 VAL 57 2HG2 VAL 57 9.113 -1.812 4.605 445 HG23 VAL 57 3HG2 VAL 57 10.182 -3.172 4.261 446 H GLU 58 H GLU 58 13.651 -3.552 6.819 447 HA GLU 58 HA GLU 58 14.075 -3.532 9.603 448 HB2 GLU 58 1HB GLU 58 15.952 -2.510 7.467 449 HB3 GLU 58 2HB GLU 58 16.388 -3.038 9.086 450 HG2 GLU 58 1HG GLU 58 15.454 -5.305 8.438 451 HG3 GLU 58 2HG GLU 58 15.438 -4.704 6.781 452 H LYS 59 H LYS 59 14.813 -0.881 7.334 453 HA LYS 59 HA LYS 59 13.678 1.031 9.232 454 HB2 LYS 59 1HB LYS 59 16.515 1.113 8.199 455 HB3 LYS 59 2HB LYS 59 15.713 2.491 8.940 456 HG2 LYS 59 1HG LYS 59 16.774 1.678 10.767 457 HG3 LYS 59 2HG LYS 59 15.291 0.726 10.873 458 HD2 LYS 59 1HD LYS 59 16.367 -1.152 9.807 459 HD3 LYS 59 2HD LYS 59 17.826 -0.199 9.523 460 HE2 LYS 59 1HE LYS 59 16.756 -0.633 12.291 461 HE3 LYS 59 2HE LYS 59 17.795 -1.826 11.515 462 HZ1 LYS 59 1HZ LYS 59 19.459 -0.618 12.336 463 HZ2 LYS 59 2HZ LYS 59 18.473 0.716 12.665 464 HZ3 LYS 59 3HZ LYS 59 19.118 0.503 11.116 465 H PHE 60 H PHE 60 12.246 2.148 8.096 466 HA PHE 60 HA PHE 60 12.872 2.802 5.293 467 HB2 PHE 60 1HB PHE 60 10.405 3.032 4.995 468 HB3 PHE 60 2HB PHE 60 10.909 1.403 5.435 469 HD1 PHE 60 2HD PHE 60 10.850 0.869 7.995 470 HD2 PHE 60 1HD PHE 60 8.666 4.013 6.134 471 HE1 PHE 60 2HE PHE 60 9.279 0.895 9.889 472 HE2 PHE 60 1HE PHE 60 7.092 4.045 8.026 473 HZ PHE 60 HZ PHE 60 7.397 2.483 9.906 474 H CYS 61 H CYS 61 11.700 4.848 4.541 475 HA CYS 61 HA CYS 61 12.364 6.965 6.436 476 HB2 CYS 61 1HB CYS 61 13.041 6.789 3.883 477 HB3 CYS 61 2HB CYS 61 11.461 7.527 3.644 478 HG CYS 61 HG CYS 61 12.004 9.847 4.995 479 H LEU 62 H LEU 62 10.758 7.494 7.775 480 HA LEU 62 HA LEU 62 8.028 7.093 7.319 481 HB2 LEU 62 1HB LEU 62 9.490 8.943 9.186 482 HB3 LEU 62 2HB LEU 62 7.737 8.765 9.193 483 HG LEU 62 HG LEU 62 9.647 6.482 9.669 484 HD11 LEU 62 1HD1 LEU 62 8.209 7.302 12.002 485 HD12 LEU 62 2HD1 LEU 62 9.134 8.662 11.367 486 HD13 LEU 62 3HD1 LEU 62 9.949 7.148 11.760 487 HD21 LEU 62 1HD2 LEU 62 7.453 5.797 8.911 488 HD22 LEU 62 2HD2 LEU 62 6.684 6.816 10.128 489 HD23 LEU 62 3HD2 LEU 62 7.640 5.418 10.623 490 H ASP 63 H ASP 63 10.012 10.012 6.950 491 HA ASP 63 HA ASP 63 7.878 11.137 5.262 492 HB2 ASP 63 1HB ASP 63 8.455 13.381 6.107 493 HB3 ASP 63 2HB ASP 63 7.886 12.323 7.396 494 HA PRO 64 HA PRO 64 11.663 10.889 2.705 495 HB2 PRO 64 1HB PRO 64 10.312 10.540 0.376 496 HB3 PRO 64 2HB PRO 64 10.688 9.209 1.477 497 HG2 PRO 64 1HG PRO 64 8.137 10.743 1.161 498 HG3 PRO 64 2HG PRO 64 8.375 8.997 1.360 499 HD2 PRO 64 1HD PRO 64 7.635 10.609 3.406 500 HD3 PRO 64 2HD PRO 64 8.643 9.167 3.643 501 H GLN 65 H GLN 65 12.269 13.039 2.894 502 HA GLN 65 HA GLN 65 10.745 15.218 1.929 503 HB2 GLN 65 1HB GLN 65 12.600 15.328 3.634 504 HB3 GLN 65 2HB GLN 65 13.739 15.145 2.306 505 HG2 GLN 65 1HG GLN 65 13.664 17.436 2.697 506 HG3 GLN 65 2HG GLN 65 12.627 17.199 1.291 507 HE21 GLN 65 1HE2 GLN 65 12.653 17.730 4.759 508 HE22 GLN 65 2HE2 GLN 65 11.070 18.416 4.856 509 H THR 66 H THR 66 13.193 13.162 0.483 510 HA THR 66 HA THR 66 12.741 14.539 -2.085 511 HB THR 66 HB THR 66 15.035 13.907 -2.749 512 HG1 THR 66 1HG THR 66 15.743 12.291 -1.525 513 HG21 THR 66 1HG2 THR 66 14.924 16.114 -2.009 514 HG22 THR 66 2HG2 THR 66 16.216 15.431 -1.021 515 HG23 THR 66 3HG2 THR 66 14.603 15.641 -0.341 516 H GLU 67 H GLU 67 13.343 13.085 -3.985 517 HA GLU 67 HA GLU 67 11.669 10.880 -4.064 518 HB2 GLU 67 1HB GLU 67 12.393 11.940 -6.099 519 HB3 GLU 67 2HB GLU 67 14.073 11.545 -5.765 520 HG2 GLU 67 1HG GLU 67 13.485 9.140 -5.950 521 HG3 GLU 67 2HG GLU 67 11.862 9.622 -6.442 522 H ALA 68 H ALA 68 15.236 10.818 -3.949 523 HA ALA 68 HA ALA 68 15.790 8.196 -3.788 524 HB1 ALA 68 1HB ALA 68 17.813 8.801 -3.020 525 HB2 ALA 68 2HB ALA 68 17.209 10.441 -3.263 526 HB3 ALA 68 3HB ALA 68 17.143 9.705 -1.661 527 H ASP 69 H ASP 69 14.600 10.153 -1.077 528 HA ASP 69 HA ASP 69 14.625 8.042 0.817 529 HB2 ASP 69 1HB ASP 69 13.106 10.655 0.748 530 HB3 ASP 69 2HB ASP 69 13.102 9.557 2.126 531 H CYS 70 H CYS 70 12.193 9.276 -1.413 532 HA CYS 70 HA CYS 70 10.011 7.790 -0.415 533 HB2 CYS 70 1HB CYS 70 9.866 9.762 -1.968 534 HB3 CYS 70 2HB CYS 70 10.421 8.710 -3.264 535 HG CYS 70 HG CYS 70 8.149 7.613 -3.811 536 H ILE 71 H ILE 71 11.967 7.216 -3.345 537 HA ILE 71 HA ILE 71 10.990 4.815 -4.152 538 HB ILE 71 HB ILE 71 13.914 5.569 -4.072 539 HG12 ILE 71 1HG1 ILE 71 12.548 7.228 -5.236 540 HG13 ILE 71 2HG1 ILE 71 13.531 6.330 -6.387 541 HG21 ILE 71 1HG2 ILE 71 13.919 4.026 -6.136 542 HG22 ILE 71 2HG2 ILE 71 13.917 3.291 -4.534 543 HG23 ILE 71 3HG2 ILE 71 12.422 3.378 -5.465 544 HD11 ILE 71 1HD1 ILE 71 11.273 4.861 -6.423 545 HD12 ILE 71 2HD1 ILE 71 10.617 6.464 -6.087 546 HD13 ILE 71 3HD1 ILE 71 11.606 6.199 -7.522 547 H ASN 72 H ASN 72 13.671 5.188 -1.827 548 HA ASN 72 HA ASN 72 14.194 2.602 -1.192 549 HB2 ASN 72 1HB ASN 72 14.196 5.113 0.423 550 HB3 ASN 72 2HB ASN 72 14.440 3.583 1.260 551 HD21 ASN 72 1HD2 ASN 72 16.248 5.861 0.774 552 HD22 ASN 72 2HD2 ASN 72 17.642 5.186 0.008 553 H ASN 73 H ASN 73 11.522 4.555 0.070 554 HA ASN 73 HA ASN 73 10.519 2.692 1.904 555 HB2 ASN 73 1HB ASN 73 9.049 4.812 0.322 556 HB3 ASN 73 2HB ASN 73 8.387 3.953 1.710 557 HD21 ASN 73 1HD2 ASN 73 8.215 6.365 2.247 558 HD22 ASN 73 2HD2 ASN 73 9.518 7.018 3.175 559 H ILE 74 H ILE 74 9.430 3.358 -1.427 560 HA ILE 74 HA ILE 74 7.514 1.365 -1.621 561 HB ILE 74 HB ILE 74 9.319 2.374 -3.822 562 HG12 ILE 74 1HG1 ILE 74 6.507 3.275 -3.232 563 HG13 ILE 74 2HG1 ILE 74 7.895 4.042 -2.468 564 HG21 ILE 74 1HG2 ILE 74 6.570 1.387 -4.338 565 HG22 ILE 74 2HG2 ILE 74 8.002 1.340 -5.364 566 HG23 ILE 74 3HG2 ILE 74 7.831 0.191 -4.038 567 HD11 ILE 74 1HD1 ILE 74 7.769 5.413 -4.235 568 HD12 ILE 74 2HD1 ILE 74 8.651 4.123 -5.053 569 HD13 ILE 74 3HD1 ILE 74 6.899 4.238 -5.220 570 H ASN 75 H ASN 75 10.835 1.165 -2.919 571 HA ASN 75 HA ASN 75 10.887 -1.460 -3.662 572 HB2 ASN 75 1HB ASN 75 12.975 0.405 -2.627 573 HB3 ASN 75 2HB ASN 75 13.394 -1.296 -2.801 574 HD21 ASN 75 1HD2 ASN 75 12.899 1.670 -4.382 575 HD22 ASN 75 2HD2 ASN 75 13.164 1.123 -5.999 576 H ASP 76 H ASP 76 11.547 -0.180 -0.417 577 HA ASP 76 HA ASP 76 12.244 -2.525 0.872 578 HB2 ASP 76 1HB ASP 76 10.849 -0.033 1.808 579 HB3 ASP 76 2HB ASP 76 11.120 -1.378 2.914 580 H PHE 77 H PHE 77 9.003 -1.191 0.320 581 HA PHE 77 HA PHE 77 7.517 -3.058 1.736 582 HB2 PHE 77 1HB PHE 77 6.425 -1.111 0.885 583 HB3 PHE 77 2HB PHE 77 6.863 -1.512 -0.773 584 HD1 PHE 77 1HD PHE 77 5.117 -3.192 2.071 585 HD2 PHE 77 2HD PHE 77 5.133 -2.237 -2.077 586 HE1 PHE 77 1HE PHE 77 2.973 -4.367 1.795 587 HE2 PHE 77 2HE PHE 77 2.989 -3.409 -2.359 588 HZ PHE 77 HZ PHE 77 1.905 -4.476 -0.422 589 H LEU 78 H LEU 78 8.674 -3.184 -1.610 590 HA LEU 78 HA LEU 78 7.417 -5.581 -2.345 591 HB2 LEU 78 1HB LEU 78 10.013 -4.397 -3.316 592 HB3 LEU 78 2HB LEU 78 9.146 -5.713 -4.104 593 HG LEU 78 HG LEU 78 7.965 -2.970 -3.712 594 HD11 LEU 78 1HD1 LEU 78 10.085 -2.973 -5.079 595 HD12 LEU 78 2HD1 LEU 78 8.641 -2.378 -5.897 596 HD13 LEU 78 3HD1 LEU 78 9.239 -4.003 -6.233 597 HD21 LEU 78 1HD2 LEU 78 7.160 -4.739 -5.924 598 HD22 LEU 78 2HD2 LEU 78 6.183 -3.708 -4.878 599 HD23 LEU 78 3HD2 LEU 78 6.720 -5.289 -4.307 600 H LYS 79 H LYS 79 10.646 -4.976 -0.997 601 HA LYS 79 HA LYS 79 11.822 -7.406 -1.062 602 HB2 LYS 79 1HB LYS 79 11.718 -5.551 1.324 603 HB3 LYS 79 2HB LYS 79 12.873 -6.862 1.124 604 HG2 LYS 79 1HG LYS 79 13.576 -5.713 -1.029 605 HG3 LYS 79 2HG LYS 79 12.642 -4.326 -0.464 606 HD2 LYS 79 1HD LYS 79 14.022 -4.579 1.708 607 HD3 LYS 79 2HD LYS 79 15.111 -5.550 0.716 608 HE2 LYS 79 1HE LYS 79 14.233 -2.780 -0.060 609 HE3 LYS 79 2HE LYS 79 15.662 -3.083 0.927 610 HZ1 LYS 79 1HZ LYS 79 16.778 -4.024 -0.813 611 HZ2 LYS 79 2HZ LYS 79 15.845 -2.890 -1.652 612 HZ3 LYS 79 3HZ LYS 79 15.373 -4.514 -1.618 613 H GLY 80 H GLY 80 9.283 -6.420 1.205 614 HA2 GLY 80 1HA GLY 80 9.262 -9.026 2.478 615 HA3 GLY 80 2HA GLY 80 8.214 -7.667 2.859 616 H CYS 81 H CYS 81 7.282 -7.233 0.179 617 HA CYS 81 HA CYS 81 5.021 -8.842 0.147 618 HB2 CYS 81 1HB CYS 81 6.316 -7.384 -2.167 619 HB3 CYS 81 2HB CYS 81 4.673 -8.012 -2.161 620 HG CYS 81 HG CYS 81 5.498 -5.857 0.309 621 H ALA 82 H ALA 82 8.045 -9.192 -1.667 622 HA ALA 82 HA ALA 82 7.484 -11.225 -3.383 623 HB1 ALA 82 1HB ALA 82 9.654 -10.845 -3.700 624 HB2 ALA 82 2HB ALA 82 9.865 -10.243 -2.055 625 HB3 ALA 82 3HB ALA 82 9.951 -11.975 -2.379 626 H THR 83 H THR 83 8.100 -11.511 0.085 627 HA THR 83 HA THR 83 8.300 -14.239 0.374 628 HB THR 83 HB THR 83 6.858 -12.325 2.219 629 HG1 THR 83 1HG THR 83 9.285 -12.197 1.580 630 HG21 THR 83 1HG2 THR 83 6.210 -14.321 3.121 631 HG22 THR 83 2HG2 THR 83 7.801 -14.186 3.871 632 HG23 THR 83 3HG2 THR 83 7.581 -15.198 2.443 633 H LEU 84 H LEU 84 5.363 -12.289 0.072 634 HA LEU 84 HA LEU 84 3.571 -14.471 0.454 635 HB2 LEU 84 1HB LEU 84 3.090 -11.811 -0.881 636 HB3 LEU 84 2HB LEU 84 1.849 -12.935 -0.330 637 HG LEU 84 HG LEU 84 3.807 -11.811 1.630 638 HD11 LEU 84 1HD1 LEU 84 2.531 -10.063 0.071 639 HD12 LEU 84 2HD1 LEU 84 2.821 -9.779 1.787 640 HD13 LEU 84 3HD1 LEU 84 1.251 -10.373 1.245 641 HD21 LEU 84 1HD2 LEU 84 1.631 -13.548 1.760 642 HD22 LEU 84 2HD2 LEU 84 1.041 -12.023 2.421 643 HD23 LEU 84 3HD2 LEU 84 2.471 -12.790 3.113 644 H GLN 85 H GLN 85 5.421 -13.342 -2.199 645 HA GLN 85 HA GLN 85 5.612 -14.007 -4.365 646 HB2 GLN 85 1HB GLN 85 4.075 -16.414 -3.376 647 HB3 GLN 85 2HB GLN 85 4.942 -16.318 -4.903 648 HG2 GLN 85 1HG GLN 85 7.042 -16.028 -3.700 649 HG3 GLN 85 2HG GLN 85 6.177 -16.111 -2.166 650 HE21 GLN 85 1HE2 GLN 85 5.234 -18.091 -1.540 651 HE22 GLN 85 2HE2 GLN 85 5.793 -19.591 -2.190 652 H VAL 86 H VAL 86 3.624 -12.188 -3.946 653 HA VAL 86 HA VAL 86 1.414 -13.136 -5.650 654 HB VAL 86 HB VAL 86 0.081 -11.277 -4.741 655 HG11 VAL 86 1HG1 VAL 86 -0.200 -13.392 -3.685 656 HG12 VAL 86 2HG1 VAL 86 1.276 -13.185 -2.740 657 HG13 VAL 86 3HG1 VAL 86 -0.133 -12.177 -2.410 658 HG21 VAL 86 1HG2 VAL 86 2.662 -10.611 -3.480 659 HG22 VAL 86 2HG2 VAL 86 1.346 -9.558 -3.997 660 HG23 VAL 86 3HG2 VAL 86 1.234 -10.420 -2.463 661 H GLU 87 H GLU 87 0.342 -10.921 -6.618 662 HA GLU 87 HA GLU 87 2.011 -10.170 -8.724 663 HB2 GLU 87 1HB GLU 87 -0.478 -8.870 -7.616 664 HB3 GLU 87 2HB GLU 87 0.314 -8.329 -9.090 665 HG2 GLU 87 1HG GLU 87 0.016 -10.648 -9.989 666 HG3 GLU 87 2HG GLU 87 -0.979 -10.992 -8.575 667 H ILE 88 H ILE 88 3.526 -8.651 -8.975 668 HA ILE 88 HA ILE 88 3.849 -6.657 -6.827 669 HB ILE 88 HB ILE 88 6.290 -6.675 -7.404 670 HG12 ILE 88 1HG1 ILE 88 5.881 -9.366 -8.642 671 HG13 ILE 88 2HG1 ILE 88 5.681 -7.934 -9.645 672 HG21 ILE 88 1HG2 ILE 88 4.881 -9.023 -6.208 673 HG22 ILE 88 2HG2 ILE 88 6.639 -9.012 -6.329 674 HG23 ILE 88 3HG2 ILE 88 5.810 -7.752 -5.415 675 HD11 ILE 88 1HD1 ILE 88 8.033 -7.352 -8.519 676 HD12 ILE 88 2HD1 ILE 88 8.117 -9.113 -8.486 677 HD13 ILE 88 3HD1 ILE 88 7.873 -8.270 -10.016 678 H PHE 89 H PHE 89 5.555 -4.914 -7.766 679 HA PHE 89 HA PHE 89 5.038 -4.204 -10.515 680 HB2 PHE 89 1HB PHE 89 4.081 -1.967 -9.914 681 HB3 PHE 89 2HB PHE 89 3.015 -3.323 -9.559 682 HD1 PHE 89 1HD PHE 89 5.241 -0.790 -8.093 683 HD2 PHE 89 2HD PHE 89 2.369 -3.837 -7.329 684 HE1 PHE 89 1HE PHE 89 5.045 -0.017 -5.765 685 HE2 PHE 89 2HE PHE 89 2.168 -3.069 -5.001 686 HZ PHE 89 HZ PHE 89 3.506 -1.155 -4.216 687 H ASP 90 H ASP 90 6.010 -1.919 -10.933 688 HA ASP 90 HA ASP 90 8.655 -1.923 -9.688 689 HB2 ASP 90 1HB ASP 90 7.554 -0.729 -12.223 690 HB3 ASP 90 2HB ASP 90 9.120 -0.238 -11.584 691 HA PRO 91 HA PRO 91 8.042 1.724 -7.329 692 HB2 PRO 91 1HB PRO 91 10.489 2.889 -7.491 693 HB3 PRO 91 2HB PRO 91 10.179 1.433 -6.537 694 HG2 PRO 91 1HG PRO 91 11.367 1.688 -9.273 695 HG3 PRO 91 2HG PRO 91 11.876 0.656 -7.924 696 HD2 PRO 91 1HD PRO 91 10.415 -0.279 -10.003 697 HD3 PRO 91 2HD PRO 91 10.255 -0.924 -8.357 698 H ASP 92 H ASP 92 8.694 1.864 -10.655 699 HA ASP 92 HA ASP 92 8.593 4.763 -10.829 700 HB2 ASP 92 1HB ASP 92 8.941 4.471 -13.197 701 HB3 ASP 92 2HB ASP 92 10.054 3.409 -12.338 702 H ASP 93 H ASP 93 6.561 1.974 -11.558 703 HA ASP 93 HA ASP 93 4.488 3.309 -12.885 704 HB2 ASP 93 1HB ASP 93 4.480 0.801 -11.201 705 HB3 ASP 93 2HB ASP 93 3.074 1.361 -12.101 706 H LEU 94 H LEU 94 5.149 2.867 -9.463 707 HA LEU 94 HA LEU 94 2.635 4.079 -8.678 708 HB2 LEU 94 1HB LEU 94 3.350 2.359 -7.248 709 HB3 LEU 94 2HB LEU 94 4.996 2.986 -7.182 710 HG LEU 94 HG LEU 94 4.149 4.915 -5.862 711 HD11 LEU 94 1HD1 LEU 94 1.727 3.773 -4.922 712 HD12 LEU 94 2HD1 LEU 94 1.638 3.886 -6.679 713 HD13 LEU 94 3HD1 LEU 94 1.978 5.326 -5.720 714 HD21 LEU 94 1HD2 LEU 94 4.829 2.429 -5.026 715 HD22 LEU 94 2HD2 LEU 94 3.239 2.609 -4.284 716 HD23 LEU 94 3HD2 LEU 94 4.508 3.789 -3.950 717 H TYR 95 H TYR 95 6.076 4.832 -8.095 718 HA TYR 95 HA TYR 95 5.799 7.324 -6.979 719 HB2 TYR 95 1HB TYR 95 7.949 6.144 -7.185 720 HB3 TYR 95 2HB TYR 95 7.952 6.450 -8.919 721 HD1 TYR 95 2HD TYR 95 7.795 8.272 -5.664 722 HD2 TYR 95 1HD TYR 95 9.056 8.320 -9.727 723 HE1 TYR 95 2HE TYR 95 8.942 10.413 -5.277 724 HE2 TYR 95 1HE TYR 95 10.208 10.461 -9.351 725 HH TYR 95 HH TYR 95 10.014 12.398 -7.743 726 H SER 96 H SER 96 6.332 6.677 -10.448 727 HA SER 96 HA SER 96 5.732 9.390 -11.168 728 HB2 SER 96 1HB SER 96 6.041 6.937 -12.916 729 HB3 SER 96 2HB SER 96 5.998 8.606 -13.484 730 HG SER 96 HG SER 96 8.124 7.362 -12.920 731 H GLY 97 H GLY 97 4.129 6.263 -11.789 732 HA2 GLY 97 1HA GLY 97 1.724 6.109 -11.372 733 HA3 GLY 97 2HA GLY 97 1.584 7.747 -11.993 734 H VAL 98 H VAL 98 3.349 4.954 -13.293 735 HA VAL 98 HA VAL 98 2.267 5.450 -15.918 736 HB VAL 98 HB VAL 98 4.048 3.210 -14.948 737 HG11 VAL 98 1HG1 VAL 98 4.032 3.989 -17.788 738 HG12 VAL 98 2HG1 VAL 98 4.148 2.391 -17.046 739 HG13 VAL 98 3HG1 VAL 98 2.576 3.176 -17.212 740 HG21 VAL 98 1HG2 VAL 98 4.958 5.545 -14.758 741 HG22 VAL 98 2HG2 VAL 98 5.888 4.462 -15.793 742 HG23 VAL 98 3HG2 VAL 98 4.820 5.666 -16.512 743 H ASN 99 H ASN 99 2.055 2.838 -13.518 744 HA ASN 99 HA ASN 99 -0.523 2.070 -14.665 745 HB2 ASN 99 1HB ASN 99 1.442 0.634 -15.557 746 HB3 ASN 99 2HB ASN 99 1.462 -0.070 -13.943 747 HD21 ASN 99 1HD2 ASN 99 0.554 -0.800 -16.855 748 HD22 ASN 99 2HD2 ASN 99 -0.927 -1.644 -16.570 749 H PHE 100 H PHE 100 -1.939 2.156 -13.062 750 HA PHE 100 HA PHE 100 -1.036 1.726 -10.314 751 HB2 PHE 100 1HB PHE 100 -2.362 3.771 -10.922 752 HB3 PHE 100 2HB PHE 100 -3.729 2.716 -11.266 753 HD1 PHE 100 2HD PHE 100 -1.234 3.034 -8.504 754 HD2 PHE 100 1HD PHE 100 -5.328 2.748 -9.635 755 HE1 PHE 100 2HE PHE 100 -1.891 3.122 -6.134 756 HE2 PHE 100 1HE PHE 100 -5.991 2.836 -7.267 757 HZ PHE 100 HZ PHE 100 -4.272 3.022 -5.513 758 H SER 101 H SER 101 -3.447 0.555 -12.623 759 HA SER 101 HA SER 101 -5.015 -1.118 -11.257 760 HB2 SER 101 1HB SER 101 -3.665 -1.424 -13.901 761 HB3 SER 101 2HB SER 101 -4.533 -2.814 -13.248 762 HG SER 101 HG SER 101 -5.874 -0.398 -13.123 763 H LYS 102 H LYS 102 -1.609 -1.710 -11.948 764 HA LYS 102 HA LYS 102 -1.533 -4.341 -10.884 765 HB2 LYS 102 1HB LYS 102 0.660 -2.309 -11.322 766 HB3 LYS 102 2HB LYS 102 0.943 -3.979 -10.847 767 HG2 LYS 102 1HG LYS 102 -0.336 -4.621 -12.954 768 HG3 LYS 102 2HG LYS 102 -0.147 -2.934 -13.437 769 HD2 LYS 102 1HD LYS 102 1.709 -3.877 -14.413 770 HD3 LYS 102 2HD LYS 102 2.372 -3.370 -12.858 771 HE2 LYS 102 1HE LYS 102 3.148 -5.522 -12.954 772 HE3 LYS 102 2HE LYS 102 1.615 -5.778 -12.122 773 HZ1 LYS 102 1HZ LYS 102 0.605 -6.461 -14.159 774 HZ2 LYS 102 2HZ LYS 102 2.028 -7.353 -13.961 775 HZ3 LYS 102 3HZ LYS 102 1.984 -6.062 -15.053 776 H VAL 103 H VAL 103 -0.258 -1.280 -9.560 777 HA VAL 103 HA VAL 103 0.512 -2.126 -7.076 778 HB VAL 103 HB VAL 103 -0.837 0.492 -7.748 779 HG11 VAL 103 1HG1 VAL 103 0.883 0.989 -5.682 780 HG12 VAL 103 2HG1 VAL 103 -0.863 0.780 -5.527 781 HG13 VAL 103 3HG1 VAL 103 0.219 -0.585 -5.244 782 HG21 VAL 103 1HG2 VAL 103 2.039 -0.394 -7.752 783 HG22 VAL 103 2HG2 VAL 103 1.097 0.246 -9.098 784 HG23 VAL 103 3HG2 VAL 103 1.553 1.302 -7.761 785 H LEU 104 H LEU 104 -2.753 -1.315 -8.149 786 HA LEU 104 HA LEU 104 -3.988 -1.488 -5.612 787 HB2 LEU 104 1HB LEU 104 -4.964 -0.389 -7.613 788 HB3 LEU 104 2HB LEU 104 -5.221 -1.985 -8.317 789 HG LEU 104 HG LEU 104 -6.749 -2.517 -6.439 790 HD11 LEU 104 1HD1 LEU 104 -5.990 0.254 -5.633 791 HD12 LEU 104 2HD1 LEU 104 -6.170 -1.195 -4.646 792 HD13 LEU 104 3HD1 LEU 104 -7.599 -0.360 -5.253 793 HD21 LEU 104 1HD2 LEU 104 -8.578 -0.995 -7.184 794 HD22 LEU 104 2HD2 LEU 104 -7.710 -1.780 -8.503 795 HD23 LEU 104 3HD2 LEU 104 -7.382 -0.091 -8.112 796 H SER 105 H SER 105 -3.937 -3.809 -8.321 797 HA SER 105 HA SER 105 -5.252 -5.898 -7.054 798 HB2 SER 105 1HB SER 105 -4.249 -7.360 -8.725 799 HB3 SER 105 2HB SER 105 -4.712 -5.833 -9.476 800 HG SER 105 HG SER 105 -2.524 -5.180 -9.298 801 H THR 106 H THR 106 -1.802 -5.107 -7.085 802 HA THR 106 HA THR 106 -0.753 -7.319 -5.824 803 HB THR 106 HB THR 106 0.069 -4.431 -5.470 804 HG1 THR 106 1HG THR 106 1.439 -6.327 -7.034 805 HG21 THR 106 1HG2 THR 106 1.296 -5.302 -3.776 806 HG22 THR 106 2HG2 THR 106 2.334 -5.845 -5.094 807 HG23 THR 106 3HG2 THR 106 1.158 -6.951 -4.385 808 H LEU 107 H LEU 107 -1.989 -4.364 -4.259 809 HA LEU 107 HA LEU 107 -1.627 -5.267 -1.616 810 HB2 LEU 107 1HB LEU 107 -3.478 -3.206 -2.792 811 HB3 LEU 107 2HB LEU 107 -3.316 -3.487 -1.060 812 HG LEU 107 HG LEU 107 -1.075 -2.601 -2.876 813 HD11 LEU 107 1HD1 LEU 107 -2.114 -0.623 -2.811 814 HD12 LEU 107 2HD1 LEU 107 -1.569 -0.556 -1.135 815 HD13 LEU 107 3HD1 LEU 107 -3.195 -1.124 -1.511 816 HD21 LEU 107 1HD2 LEU 107 -1.011 -3.789 -0.352 817 HD22 LEU 107 2HD2 LEU 107 -0.778 -2.065 -0.059 818 HD23 LEU 107 3HD2 LEU 107 0.299 -2.926 -1.160 819 H LEU 108 H LEU 108 -4.367 -5.470 -3.836 820 HA LEU 108 HA LEU 108 -6.324 -6.395 -2.108 821 HB2 LEU 108 1HB LEU 108 -5.782 -6.793 -5.015 822 HB3 LEU 108 2HB LEU 108 -7.079 -7.704 -4.246 823 HG LEU 108 HG LEU 108 -6.901 -4.694 -4.238 824 HD11 LEU 108 1HD1 LEU 108 -8.244 -4.584 -6.100 825 HD12 LEU 108 2HD1 LEU 108 -8.837 -6.233 -5.905 826 HD13 LEU 108 3HD1 LEU 108 -7.204 -5.950 -6.506 827 HD21 LEU 108 1HD2 LEU 108 -8.274 -6.211 -2.528 828 HD22 LEU 108 2HD2 LEU 108 -9.429 -6.192 -3.861 829 HD23 LEU 108 3HD2 LEU 108 -8.887 -4.675 -3.140 830 H ALA 109 H ALA 109 -3.896 -8.258 -3.910 831 HA ALA 109 HA ALA 109 -4.728 -10.808 -3.068 832 HB1 ALA 109 1HB ALA 109 -2.423 -11.518 -3.700 833 HB2 ALA 109 2HB ALA 109 -3.264 -10.598 -4.949 834 HB3 ALA 109 3HB ALA 109 -2.026 -9.819 -3.963 835 H VAL 110 H VAL 110 -2.166 -8.685 -1.795 836 HA VAL 110 HA VAL 110 -1.232 -10.288 0.251 837 HB VAL 110 HB VAL 110 -1.541 -7.283 0.282 838 HG11 VAL 110 1HG1 VAL 110 -1.110 -7.777 2.496 839 HG12 VAL 110 2HG1 VAL 110 -0.136 -9.194 2.099 840 HG13 VAL 110 3HG1 VAL 110 0.517 -7.575 1.847 841 HG21 VAL 110 1HG2 VAL 110 -0.016 -7.345 -1.341 842 HG22 VAL 110 2HG2 VAL 110 1.119 -7.945 -0.132 843 HG23 VAL 110 3HG2 VAL 110 0.227 -9.081 -1.144 844 H ASN 111 H ASN 111 -3.885 -7.919 0.387 845 HA ASN 111 HA ASN 111 -4.558 -8.203 3.063 846 HB2 ASN 111 1HB ASN 111 -5.671 -6.450 2.052 847 HB3 ASN 111 2HB ASN 111 -6.062 -7.388 0.614 848 HD21 ASN 111 1HD2 ASN 111 -6.699 -7.506 4.105 849 HD22 ASN 111 2HD2 ASN 111 -8.384 -7.857 3.956 850 H LYS 112 H LYS 112 -5.600 -10.103 0.268 851 HA LYS 112 HA LYS 112 -7.419 -11.738 1.730 852 HB2 LYS 112 1HB LYS 112 -6.221 -11.790 -1.003 853 HB3 LYS 112 2HB LYS 112 -6.970 -13.260 -0.393 854 HG2 LYS 112 1HG LYS 112 -8.398 -10.620 -0.396 855 HG3 LYS 112 2HG LYS 112 -8.421 -11.713 -1.782 856 HD2 LYS 112 1HD LYS 112 -9.272 -13.499 -0.243 857 HD3 LYS 112 2HD LYS 112 -9.428 -12.263 1.007 858 HE2 LYS 112 1HE LYS 112 -11.565 -12.478 0.015 859 HE3 LYS 112 2HE LYS 112 -10.877 -10.981 -0.614 860 HZ1 LYS 112 1HZ LYS 112 -10.946 -13.595 -2.024 861 HZ2 LYS 112 2HZ LYS 112 -10.242 -12.180 -2.627 862 HZ3 LYS 112 3HZ LYS 112 -11.913 -12.250 -2.373 863 H ALA 113 H ALA 113 -4.044 -12.069 0.743 864 HA ALA 113 HA ALA 113 -3.698 -14.743 1.573 865 HB1 ALA 113 1HB ALA 113 -2.077 -12.660 0.489 866 HB2 ALA 113 2HB ALA 113 -1.239 -13.390 1.860 867 HB3 ALA 113 3HB ALA 113 -1.778 -14.399 0.518 868 H THR 114 H THR 114 -3.453 -11.672 3.260 869 HA THR 114 HA THR 114 -2.246 -12.717 5.619 870 HB THR 114 HB THR 114 -3.076 -10.555 6.662 871 HG1 THR 114 1HG THR 114 -4.791 -9.977 5.413 872 HG21 THR 114 1HG2 THR 114 -0.867 -10.467 5.946 873 HG22 THR 114 2HG2 THR 114 -1.608 -9.141 5.048 874 HG23 THR 114 3HG2 THR 114 -1.303 -10.684 4.251 875 H GLU 115 H GLU 115 -5.569 -12.156 4.588 876 HA GLU 115 HA GLU 115 -6.593 -13.057 7.165 877 HB2 GLU 115 1HB GLU 115 -8.695 -12.267 6.490 878 HB3 GLU 115 2HB GLU 115 -7.562 -11.101 5.821 879 HG2 GLU 115 1HG GLU 115 -7.707 -12.237 3.647 880 HG3 GLU 115 2HG GLU 115 -8.894 -13.349 4.328 881 H SER 116 H SER 116 -7.829 -14.902 7.455 882 HA SER 116 HA SER 116 -7.371 -16.991 5.469 883 HB2 SER 116 1HB SER 116 -8.370 -17.118 8.323 884 HB3 SER 116 2HB SER 116 -8.156 -18.524 7.281 885 HG SER 116 HG SER 116 -6.290 -18.344 8.422 886 H GLY 117 H GLY 117 -9.180 -15.219 4.516 887 HA2 GLY 117 1HA GLY 117 -11.230 -15.229 3.468 888 HA3 GLY 117 2HA GLY 117 -11.456 -16.869 4.058 889 HA PRO 118 HA PRO 118 -13.840 -13.488 6.553 890 HB2 PRO 118 1HB PRO 118 -16.078 -13.146 5.054 891 HB3 PRO 118 2HB PRO 118 -14.644 -12.126 4.887 892 HG2 PRO 118 1HG PRO 118 -15.516 -14.456 3.222 893 HG3 PRO 118 2HG PRO 118 -14.851 -12.897 2.702 894 HD2 PRO 118 1HD PRO 118 -13.352 -15.148 2.837 895 HD3 PRO 118 2HD PRO 118 -12.680 -13.533 3.144 896 H SER 119 H SER 119 -14.315 -16.523 5.144 897 HA SER 119 HA SER 119 -16.833 -17.328 5.899 898 HB2 SER 119 1HB SER 119 -15.257 -18.739 4.625 899 HB3 SER 119 2HB SER 119 -14.296 -18.972 6.085 900 HG SER 119 HG SER 119 -16.883 -19.923 5.493 901 H SER 120 H SER 120 -17.864 -17.683 7.761 902 HA SER 120 HA SER 120 -16.374 -18.190 10.207 903 HB2 SER 120 1HB SER 120 -17.310 -16.365 11.447 904 HB3 SER 120 2HB SER 120 -16.612 -15.684 9.978 905 HG SER 120 HG SER 120 -18.516 -14.964 9.504 906 H GLY 121 H GLY 121 -17.364 -19.730 11.332 907 HA2 GLY 121 1HA GLY 121 -19.410 -20.447 12.474 908 HA3 GLY 121 2HA GLY 121 -20.285 -20.030 11.008 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -27.416 -8.958 -7.150 2 HA2 GLY 1 1HA GLY 1 -26.949 -8.885 -4.859 3 HA3 GLY 1 2HA GLY 1 -26.010 -10.290 -5.342 4 H SER 2 H SER 2 -23.876 -9.299 -6.618 5 HA SER 2 HA SER 2 -22.530 -7.786 -4.495 6 HB2 SER 2 1HB SER 2 -21.630 -9.790 -6.519 7 HB3 SER 2 2HB SER 2 -20.465 -8.592 -5.955 8 HG SER 2 HG SER 2 -20.782 -9.314 -3.858 9 H SER 3 H SER 3 -22.828 -5.664 -4.933 10 HA SER 3 HA SER 3 -22.991 -4.480 -7.453 11 HB2 SER 3 1HB SER 3 -22.438 -2.348 -6.246 12 HB3 SER 3 2HB SER 3 -23.737 -3.278 -5.499 13 HG SER 3 HG SER 3 -21.154 -3.803 -4.620 14 H GLY 4 H GLY 4 -21.510 -4.426 -9.001 15 HA2 GLY 4 1HA GLY 4 -18.854 -5.139 -8.804 16 HA3 GLY 4 2HA GLY 4 -19.501 -4.107 -10.071 17 H SER 5 H SER 5 -17.133 -4.266 -7.881 18 HA SER 5 HA SER 5 -17.098 -1.347 -7.469 19 HB2 SER 5 1HB SER 5 -17.369 -2.518 -5.336 20 HB3 SER 5 2HB SER 5 -15.941 -3.496 -5.674 21 HG SER 5 HG SER 5 -16.049 -0.691 -5.264 22 H SER 6 H SER 6 -14.880 -0.437 -7.252 23 HA SER 6 HA SER 6 -13.203 -1.517 -9.368 24 HB2 SER 6 1HB SER 6 -13.721 0.892 -9.351 25 HB3 SER 6 2HB SER 6 -12.936 1.048 -7.780 26 HG SER 6 HG SER 6 -11.791 1.309 -10.079 27 H GLY 7 H GLY 7 -12.951 -0.693 -5.926 28 HA2 GLY 7 1HA GLY 7 -11.696 -2.400 -4.601 29 HA3 GLY 7 2HA GLY 7 -10.453 -2.272 -5.837 30 H GLU 8 H GLU 8 -10.543 0.559 -6.145 31 HA GLU 8 HA GLU 8 -8.602 1.489 -4.555 32 HB2 GLU 8 1HB GLU 8 -11.025 2.986 -5.547 33 HB3 GLU 8 2HB GLU 8 -9.672 3.788 -4.760 34 HG2 GLU 8 1HG GLU 8 -8.265 3.461 -6.525 35 HG3 GLU 8 2HG GLU 8 -9.099 2.004 -7.063 36 H GLU 9 H GLU 9 -12.044 1.972 -3.742 37 HA GLU 9 HA GLU 9 -11.679 3.062 -1.218 38 HB2 GLU 9 1HB GLU 9 -13.838 2.735 -2.633 39 HB3 GLU 9 2HB GLU 9 -13.963 1.199 -1.786 40 HG2 GLU 9 1HG GLU 9 -15.287 2.986 -0.741 41 HG3 GLU 9 2HG GLU 9 -14.064 2.316 0.338 42 H GLN 10 H GLN 10 -12.311 -0.353 -2.029 43 HA GLN 10 HA GLN 10 -12.272 -1.508 0.427 44 HB2 GLN 10 1HB GLN 10 -11.212 -2.439 -2.216 45 HB3 GLN 10 2HB GLN 10 -11.002 -3.443 -0.788 46 HG2 GLN 10 1HG GLN 10 -13.710 -2.394 -1.451 47 HG3 GLN 10 2HG GLN 10 -13.062 -3.765 -2.350 48 HE21 GLN 10 1HE2 GLN 10 -11.853 -5.313 -0.646 49 HE22 GLN 10 2HE2 GLN 10 -12.883 -5.818 0.645 50 H ILE 11 H ILE 11 -9.407 -0.689 -1.508 51 HA ILE 11 HA ILE 11 -7.521 -1.617 0.390 52 HB ILE 11 HB ILE 11 -7.175 0.442 -1.793 53 HG12 ILE 11 1HG1 ILE 11 -7.894 -1.745 -2.638 54 HG13 ILE 11 2HG1 ILE 11 -6.222 -1.422 -3.083 55 HG21 ILE 11 1HG2 ILE 11 -5.185 -1.009 -0.068 56 HG22 ILE 11 2HG2 ILE 11 -4.752 -0.242 -1.595 57 HG23 ILE 11 3HG2 ILE 11 -5.390 0.731 -0.270 58 HD11 ILE 11 1HD1 ILE 11 -5.453 -2.870 -1.292 59 HD12 ILE 11 2HD1 ILE 11 -7.122 -3.172 -0.808 60 HD13 ILE 11 3HD1 ILE 11 -6.545 -3.729 -2.378 61 H VAL 12 H VAL 12 -8.921 1.571 -0.257 62 HA VAL 12 HA VAL 12 -7.367 3.092 1.483 63 HB VAL 12 HB VAL 12 -10.280 3.472 0.776 64 HG11 VAL 12 1HG1 VAL 12 -9.613 5.922 1.266 65 HG12 VAL 12 2HG1 VAL 12 -9.973 4.849 2.621 66 HG13 VAL 12 3HG1 VAL 12 -8.298 5.208 2.198 67 HG21 VAL 12 1HG2 VAL 12 -8.204 5.161 -0.444 68 HG22 VAL 12 2HG2 VAL 12 -8.186 3.469 -0.940 69 HG23 VAL 12 3HG2 VAL 12 -9.644 4.437 -1.159 70 H THR 13 H THR 13 -10.583 1.681 2.119 71 HA THR 13 HA THR 13 -10.673 2.345 4.841 72 HB THR 13 HB THR 13 -12.026 0.014 3.469 73 HG1 THR 13 1HG THR 13 -12.854 2.711 3.887 74 HG21 THR 13 1HG2 THR 13 -12.585 1.424 6.078 75 HG22 THR 13 2HG2 THR 13 -12.127 -0.264 5.852 76 HG23 THR 13 3HG2 THR 13 -13.702 0.305 5.300 77 H TRP 14 H TRP 14 -9.618 -0.634 3.222 78 HA TRP 14 HA TRP 14 -9.132 -2.230 5.417 79 HB2 TRP 14 1HB TRP 14 -8.935 -3.108 3.176 80 HB3 TRP 14 2HB TRP 14 -7.585 -2.032 2.827 81 HD1 TRP 14 HD TRP 14 -7.968 -4.275 5.957 82 HE1 TRP 14 1HE TRP 14 -5.958 -5.880 6.036 83 HE3 TRP 14 3HE TRP 14 -5.750 -3.017 1.526 84 HZ2 TRP 14 2HZ TRP 14 -3.727 -6.527 4.433 85 HZ3 TRP 14 3HZ TRP 14 -3.680 -4.176 0.872 86 HH2 TRP 14 HH TRP 14 -2.691 -5.895 2.297 87 H LEU 15 H LEU 15 -6.620 -0.322 3.743 88 HA LEU 15 HA LEU 15 -4.531 -0.619 5.433 89 HB2 LEU 15 1HB LEU 15 -5.428 1.936 4.111 90 HB3 LEU 15 2HB LEU 15 -3.837 1.690 4.828 91 HG LEU 15 HG LEU 15 -4.888 0.013 2.559 92 HD11 LEU 15 1HD1 LEU 15 -3.827 1.415 1.009 93 HD12 LEU 15 2HD1 LEU 15 -2.989 2.320 2.269 94 HD13 LEU 15 3HD1 LEU 15 -4.730 2.506 2.061 95 HD21 LEU 15 1HD2 LEU 15 -3.038 -0.892 3.945 96 HD22 LEU 15 2HD2 LEU 15 -2.077 0.525 3.523 97 HD23 LEU 15 3HD2 LEU 15 -2.584 -0.604 2.265 98 H ILE 16 H ILE 16 -6.995 1.935 5.791 99 HA ILE 16 HA ILE 16 -6.087 3.013 8.181 100 HB ILE 16 HB ILE 16 -8.950 2.767 7.250 101 HG12 ILE 16 1HG1 ILE 16 -7.053 5.101 6.958 102 HG13 ILE 16 2HG1 ILE 16 -7.320 3.906 5.693 103 HG21 ILE 16 1HG2 ILE 16 -8.203 5.062 8.896 104 HG22 ILE 16 2HG2 ILE 16 -9.614 4.009 8.989 105 HG23 ILE 16 3HG2 ILE 16 -8.094 3.516 9.737 106 HD11 ILE 16 1HD1 ILE 16 -8.680 5.746 5.163 107 HD12 ILE 16 2HD1 ILE 16 -9.765 4.520 5.819 108 HD13 ILE 16 3HD1 ILE 16 -9.271 5.886 6.819 109 H SER 17 H SER 17 -8.612 0.533 7.742 110 HA SER 17 HA SER 17 -9.288 0.012 10.327 111 HB2 SER 17 1HB SER 17 -10.308 -1.124 8.393 112 HB3 SER 17 2HB SER 17 -8.837 -2.071 8.175 113 HG SER 17 HG SER 17 -9.521 -2.391 10.676 114 H LEU 18 H LEU 18 -6.469 -1.268 8.600 115 HA LEU 18 HA LEU 18 -5.523 -2.910 10.685 116 HB2 LEU 18 1HB LEU 18 -4.290 -1.681 8.257 117 HB3 LEU 18 2HB LEU 18 -3.270 -2.497 9.440 118 HG LEU 18 HG LEU 18 -5.600 -3.822 8.064 119 HD11 LEU 18 1HD1 LEU 18 -4.221 -4.623 6.403 120 HD12 LEU 18 2HD1 LEU 18 -2.751 -4.325 7.330 121 HD13 LEU 18 3HD1 LEU 18 -3.620 -2.977 6.599 122 HD21 LEU 18 1HD2 LEU 18 -3.244 -5.220 9.238 123 HD22 LEU 18 2HD2 LEU 18 -4.904 -5.781 9.036 124 HD23 LEU 18 3HD2 LEU 18 -4.511 -4.625 10.310 125 H GLY 19 H GLY 19 -4.740 0.432 9.771 126 HA2 GLY 19 1HA GLY 19 -4.445 2.003 11.650 127 HA3 GLY 19 2HA GLY 19 -3.501 0.747 12.436 128 H VAL 20 H VAL 20 -3.366 1.779 9.054 129 HA VAL 20 HA VAL 20 -0.629 2.758 9.539 130 HB VAL 20 HB VAL 20 -0.002 1.911 7.295 131 HG11 VAL 20 1HG1 VAL 20 0.798 0.114 8.330 132 HG12 VAL 20 2HG1 VAL 20 -0.266 0.487 9.687 133 HG13 VAL 20 3HG1 VAL 20 -0.806 -0.613 8.419 134 HG21 VAL 20 1HG2 VAL 20 -1.797 1.567 5.964 135 HG22 VAL 20 2HG2 VAL 20 -1.702 -0.062 6.634 136 HG23 VAL 20 3HG2 VAL 20 -2.842 1.104 7.307 137 H LEU 21 H LEU 21 -3.583 3.000 7.656 138 HA LEU 21 HA LEU 21 -2.615 5.466 6.402 139 HB2 LEU 21 1HB LEU 21 -3.581 3.809 4.912 140 HB3 LEU 21 2HB LEU 21 -5.067 3.798 5.859 141 HG LEU 21 HG LEU 21 -5.419 6.180 5.203 142 HD11 LEU 21 1HD1 LEU 21 -4.074 6.708 3.011 143 HD12 LEU 21 2HD1 LEU 21 -2.876 5.646 3.750 144 HD13 LEU 21 3HD1 LEU 21 -3.411 7.097 4.598 145 HD21 LEU 21 1HD2 LEU 21 -5.544 3.827 3.474 146 HD22 LEU 21 2HD2 LEU 21 -5.566 5.358 2.599 147 HD23 LEU 21 3HD2 LEU 21 -6.776 5.034 3.841 148 H GLU 22 H GLU 22 -3.352 7.420 6.972 149 HA GLU 22 HA GLU 22 -4.720 7.862 9.348 150 HB2 GLU 22 1HB GLU 22 -4.161 9.580 6.953 151 HB3 GLU 22 2HB GLU 22 -5.162 10.192 8.263 152 HG2 GLU 22 1HG GLU 22 -3.230 9.534 9.801 153 HG3 GLU 22 2HG GLU 22 -2.274 9.402 8.326 154 H SER 23 H SER 23 -6.829 8.527 9.832 155 HA SER 23 HA SER 23 -8.830 7.698 7.839 156 HB2 SER 23 1HB SER 23 -8.563 6.608 10.241 157 HB3 SER 23 2HB SER 23 -9.523 8.005 10.730 158 HG SER 23 HG SER 23 -11.181 6.946 10.023 159 HA PRO 24 HA PRO 24 -9.374 12.255 8.095 160 HB2 PRO 24 1HB PRO 24 -10.109 12.521 5.495 161 HB3 PRO 24 2HB PRO 24 -8.421 12.484 6.017 162 HG2 PRO 24 1HG PRO 24 -10.094 10.287 4.862 163 HG3 PRO 24 2HG PRO 24 -8.413 10.722 4.499 164 HD2 PRO 24 1HD PRO 24 -9.065 8.667 6.138 165 HD3 PRO 24 2HD PRO 24 -7.599 9.642 6.365 166 H LYS 25 H LYS 25 -11.216 12.662 9.162 167 HA LYS 25 HA LYS 25 -13.593 11.406 9.191 168 HB2 LYS 25 1HB LYS 25 -12.997 13.386 10.573 169 HB3 LYS 25 2HB LYS 25 -13.315 14.417 9.183 170 HG2 LYS 25 1HG LYS 25 -15.657 13.453 9.179 171 HG3 LYS 25 2HG LYS 25 -15.269 12.773 10.762 172 HD2 LYS 25 1HD LYS 25 -15.067 14.876 11.748 173 HD3 LYS 25 2HD LYS 25 -14.855 15.689 10.196 174 HE2 LYS 25 1HE LYS 25 -17.240 14.955 9.677 175 HE3 LYS 25 2HE LYS 25 -17.373 14.563 11.391 176 HZ1 LYS 25 1HZ LYS 25 -16.991 17.205 10.131 177 HZ2 LYS 25 2HZ LYS 25 -16.577 16.949 11.751 178 HZ3 LYS 25 3HZ LYS 25 -18.174 16.721 11.240 179 H LYS 26 H LYS 26 -12.889 14.119 6.985 180 HA LYS 26 HA LYS 26 -15.230 14.172 5.554 181 HB2 LYS 26 1HB LYS 26 -13.973 15.170 3.731 182 HB3 LYS 26 2HB LYS 26 -13.383 15.783 5.270 183 HG2 LYS 26 1HG LYS 26 -11.401 15.373 4.240 184 HG3 LYS 26 2HG LYS 26 -11.661 13.800 5.000 185 HD2 LYS 26 1HD LYS 26 -12.490 12.876 2.953 186 HD3 LYS 26 2HD LYS 26 -12.501 14.463 2.181 187 HE2 LYS 26 1HE LYS 26 -9.995 13.168 3.230 188 HE3 LYS 26 2HE LYS 26 -10.573 12.936 1.580 189 HZ1 LYS 26 1HZ LYS 26 -9.153 15.131 2.688 190 HZ2 LYS 26 2HZ LYS 26 -10.606 15.656 2.001 191 HZ3 LYS 26 3HZ LYS 26 -9.495 14.787 1.067 192 H THR 27 H THR 27 -15.196 13.576 3.044 193 HA THR 27 HA THR 27 -14.542 10.705 2.870 194 HB THR 27 HB THR 27 -16.769 11.836 1.239 195 HG1 THR 27 1HG THR 27 -18.085 11.091 3.204 196 HG21 THR 27 1HG2 THR 27 -15.983 9.501 0.969 197 HG22 THR 27 2HG2 THR 27 -17.668 9.600 1.482 198 HG23 THR 27 3HG2 THR 27 -16.413 9.191 2.651 199 H ILE 28 H ILE 28 -12.977 10.352 1.449 200 HA ILE 28 HA ILE 28 -12.108 12.240 -0.459 201 HB ILE 28 HB ILE 28 -11.546 9.274 -0.374 202 HG12 ILE 28 1HG1 ILE 28 -9.619 11.351 0.566 203 HG13 ILE 28 2HG1 ILE 28 -10.961 10.923 1.622 204 HG21 ILE 28 1HG2 ILE 28 -10.439 11.526 -1.985 205 HG22 ILE 28 2HG2 ILE 28 -9.387 10.188 -1.528 206 HG23 ILE 28 3HG2 ILE 28 -10.841 9.881 -2.477 207 HD11 ILE 28 1HD1 ILE 28 -10.241 8.542 1.426 208 HD12 ILE 28 2HD1 ILE 28 -8.806 9.113 0.574 209 HD13 ILE 28 3HD1 ILE 28 -9.093 9.602 2.243 210 H CYS 29 H CYS 29 -13.277 12.842 -2.161 211 HA CYS 29 HA CYS 29 -15.276 11.221 -3.362 212 HB2 CYS 29 1HB CYS 29 -15.431 13.025 -5.036 213 HB3 CYS 29 2HB CYS 29 -15.434 13.656 -3.393 214 HG CYS 29 HG CYS 29 -13.959 15.476 -4.764 215 H ASP 30 H ASP 30 -11.927 11.953 -4.143 216 HA ASP 30 HA ASP 30 -12.079 9.997 -6.344 217 HB2 ASP 30 1HB ASP 30 -11.556 12.482 -6.879 218 HB3 ASP 30 2HB ASP 30 -9.973 12.136 -6.189 219 HA PRO 31 HA PRO 31 -9.333 8.152 -3.151 220 HB2 PRO 31 1HB PRO 31 -10.107 5.601 -3.662 221 HB3 PRO 31 2HB PRO 31 -10.995 6.675 -2.574 222 HG2 PRO 31 1HG PRO 31 -11.556 5.987 -5.433 223 HG3 PRO 31 2HG PRO 31 -12.686 6.126 -4.074 224 HD2 PRO 31 1HD PRO 31 -12.365 8.092 -5.908 225 HD3 PRO 31 2HD PRO 31 -12.764 8.426 -4.211 226 H GLU 32 H GLU 32 -9.809 7.606 -6.555 227 HA GLU 32 HA GLU 32 -7.766 5.783 -7.088 228 HB2 GLU 32 1HB GLU 32 -9.450 6.439 -8.746 229 HB3 GLU 32 2HB GLU 32 -8.757 8.053 -8.821 230 HG2 GLU 32 1HG GLU 32 -6.604 6.943 -9.558 231 HG3 GLU 32 2HG GLU 32 -7.554 5.473 -9.766 232 H GLU 33 H GLU 33 -7.669 9.335 -7.016 233 HA GLU 33 HA GLU 33 -4.842 9.413 -7.535 234 HB2 GLU 33 1HB GLU 33 -6.941 11.458 -6.909 235 HB3 GLU 33 2HB GLU 33 -5.241 11.894 -6.809 236 HG2 GLU 33 1HG GLU 33 -6.542 10.720 -9.253 237 HG3 GLU 33 2HG GLU 33 -6.318 12.446 -8.975 238 H PHE 34 H PHE 34 -6.932 9.889 -4.717 239 HA PHE 34 HA PHE 34 -5.063 10.721 -2.861 240 HB2 PHE 34 1HB PHE 34 -7.451 10.646 -2.368 241 HB3 PHE 34 2HB PHE 34 -7.431 8.887 -2.434 242 HD1 PHE 34 2HD PHE 34 -6.230 11.818 -0.539 243 HD2 PHE 34 1HD PHE 34 -6.798 7.600 -0.565 244 HE1 PHE 34 2HE PHE 34 -5.726 11.740 1.867 245 HE2 PHE 34 1HE PHE 34 -6.296 7.515 1.842 246 HZ PHE 34 HZ PHE 34 -5.758 9.586 3.061 247 H LEU 35 H LEU 35 -6.033 7.368 -3.578 248 HA LEU 35 HA LEU 35 -4.308 6.077 -1.827 249 HB2 LEU 35 1HB LEU 35 -5.650 5.331 -4.373 250 HB3 LEU 35 2HB LEU 35 -4.392 4.264 -3.754 251 HG LEU 35 HG LEU 35 -6.806 5.082 -2.147 252 HD11 LEU 35 1HD1 LEU 35 -7.056 2.407 -2.850 253 HD12 LEU 35 2HD1 LEU 35 -6.600 3.221 -4.346 254 HD13 LEU 35 3HD1 LEU 35 -8.021 3.756 -3.450 255 HD21 LEU 35 1HD2 LEU 35 -4.498 4.071 -1.245 256 HD22 LEU 35 2HD2 LEU 35 -5.316 2.571 -1.684 257 HD23 LEU 35 3HD2 LEU 35 -6.064 3.679 -0.534 258 H LYS 36 H LYS 36 -3.770 6.951 -5.232 259 HA LYS 36 HA LYS 36 -1.184 5.915 -5.471 260 HB2 LYS 36 1HB LYS 36 -2.338 8.337 -6.868 261 HB3 LYS 36 2HB LYS 36 -0.943 7.405 -7.396 262 HG2 LYS 36 1HG LYS 36 -2.229 5.614 -8.078 263 HG3 LYS 36 2HG LYS 36 -3.584 6.060 -7.039 264 HD2 LYS 36 1HD LYS 36 -4.398 6.701 -9.087 265 HD3 LYS 36 2HD LYS 36 -3.628 8.202 -8.564 266 HE2 LYS 36 1HE LYS 36 -2.255 6.132 -10.268 267 HE3 LYS 36 2HE LYS 36 -3.146 7.500 -10.933 268 HZ1 LYS 36 1HZ LYS 36 -1.586 8.818 -9.311 269 HZ2 LYS 36 2HZ LYS 36 -1.059 8.369 -10.855 270 HZ3 LYS 36 3HZ LYS 36 -0.591 7.464 -9.505 271 H SER 37 H SER 37 -2.325 9.035 -4.293 272 HA SER 37 HA SER 37 0.220 10.262 -4.101 273 HB2 SER 37 1HB SER 37 -1.772 11.631 -4.108 274 HB3 SER 37 2HB SER 37 -2.377 10.833 -2.657 275 HG SER 37 HG SER 37 -1.267 12.203 -1.535 276 H SER 38 H SER 38 -1.691 8.299 -1.894 277 HA SER 38 HA SER 38 0.003 8.706 0.367 278 HB2 SER 38 1HB SER 38 -2.431 7.966 0.419 279 HB3 SER 38 2HB SER 38 -1.862 6.369 -0.064 280 HG SER 38 HG SER 38 -1.933 6.356 2.136 281 H LEU 39 H LEU 39 -0.431 5.990 -1.894 282 HA LEU 39 HA LEU 39 1.643 4.404 -0.816 283 HB2 LEU 39 1HB LEU 39 0.644 4.353 -3.655 284 HB3 LEU 39 2HB LEU 39 1.412 3.040 -2.764 285 HG LEU 39 HG LEU 39 -1.203 4.159 -1.833 286 HD11 LEU 39 1HD1 LEU 39 -1.417 3.643 -4.251 287 HD12 LEU 39 2HD1 LEU 39 -2.411 2.618 -3.217 288 HD13 LEU 39 3HD1 LEU 39 -0.913 1.990 -3.903 289 HD21 LEU 39 1HD2 LEU 39 -1.304 2.311 -0.540 290 HD22 LEU 39 2HD2 LEU 39 0.448 2.343 -0.740 291 HD23 LEU 39 3HD2 LEU 39 -0.537 1.286 -1.753 292 H LYS 40 H LYS 40 1.556 6.801 -3.402 293 HA LYS 40 HA LYS 40 3.846 6.538 -4.750 294 HB2 LYS 40 1HB LYS 40 2.452 8.461 -5.108 295 HB3 LYS 40 2HB LYS 40 2.789 9.073 -3.493 296 HG2 LYS 40 1HG LYS 40 5.016 9.626 -4.066 297 HG3 LYS 40 2HG LYS 40 4.920 8.732 -5.585 298 HD2 LYS 40 1HD LYS 40 3.614 10.349 -6.605 299 HD3 LYS 40 2HD LYS 40 3.038 10.998 -5.067 300 HE2 LYS 40 1HE LYS 40 4.940 12.240 -4.725 301 HE3 LYS 40 2HE LYS 40 5.944 11.171 -5.704 302 HZ1 LYS 40 1HZ LYS 40 5.402 12.244 -7.597 303 HZ2 LYS 40 2HZ LYS 40 5.125 13.537 -6.543 304 HZ3 LYS 40 3HZ LYS 40 3.826 12.605 -7.096 305 H ASN 41 H ASN 41 3.799 8.347 -1.671 306 HA ASN 41 HA ASN 41 6.451 8.756 -1.282 307 HB2 ASN 41 1HB ASN 41 4.201 8.202 0.602 308 HB3 ASN 41 2HB ASN 41 5.838 8.245 1.250 309 HD21 ASN 41 1HD2 ASN 41 5.617 10.095 2.413 310 HD22 ASN 41 2HD2 ASN 41 5.378 11.651 1.700 311 H GLY 42 H GLY 42 4.691 5.798 -0.362 312 HA2 GLY 42 1HA GLY 42 5.637 3.624 -0.696 313 HA3 GLY 42 2HA GLY 42 7.237 4.338 -0.560 314 H VAL 43 H VAL 43 6.413 5.917 1.815 315 HA VAL 43 HA VAL 43 7.229 4.095 3.805 316 HB VAL 43 HB VAL 43 7.577 6.547 3.945 317 HG11 VAL 43 1HG1 VAL 43 5.886 7.965 3.715 318 HG12 VAL 43 2HG1 VAL 43 4.772 6.605 3.566 319 HG13 VAL 43 3HG1 VAL 43 5.112 7.298 5.152 320 HG21 VAL 43 1HG2 VAL 43 8.007 5.779 6.016 321 HG22 VAL 43 2HG2 VAL 43 6.498 6.591 6.431 322 HG23 VAL 43 3HG2 VAL 43 6.505 4.859 6.099 323 H VAL 44 H VAL 44 4.107 5.000 2.593 324 HA VAL 44 HA VAL 44 2.538 4.180 4.800 325 HB VAL 44 HB VAL 44 1.901 4.483 1.872 326 HG11 VAL 44 1HG1 VAL 44 0.280 2.952 2.336 327 HG12 VAL 44 2HG1 VAL 44 0.264 3.325 4.061 328 HG13 VAL 44 3HG1 VAL 44 -0.534 4.404 2.916 329 HG21 VAL 44 1HG2 VAL 44 0.487 6.095 3.854 330 HG22 VAL 44 2HG2 VAL 44 2.233 6.344 3.857 331 HG23 VAL 44 3HG2 VAL 44 1.310 6.584 2.373 332 H LEU 45 H LEU 45 3.597 2.502 1.860 333 HA LEU 45 HA LEU 45 2.229 0.080 2.425 334 HB2 LEU 45 1HB LEU 45 4.583 0.689 0.649 335 HB3 LEU 45 2HB LEU 45 3.792 -0.884 0.722 336 HG LEU 45 HG LEU 45 2.139 1.511 0.084 337 HD11 LEU 45 1HD1 LEU 45 3.775 0.085 -2.000 338 HD12 LEU 45 2HD1 LEU 45 4.227 1.641 -1.304 339 HD13 LEU 45 3HD1 LEU 45 2.725 1.486 -2.215 340 HD21 LEU 45 1HD2 LEU 45 0.810 -0.046 -1.088 341 HD22 LEU 45 2HD2 LEU 45 1.261 -0.841 0.420 342 HD23 LEU 45 3HD2 LEU 45 2.088 -1.262 -1.080 343 H CYS 46 H CYS 46 5.510 1.228 3.054 344 HA CYS 46 HA CYS 46 6.636 -1.149 3.972 345 HB2 CYS 46 1HB CYS 46 7.184 1.744 4.586 346 HB3 CYS 46 2HB CYS 46 8.090 0.464 5.384 347 HG CYS 46 HG CYS 46 8.343 1.630 2.259 348 H LYS 47 H LYS 47 4.868 1.359 5.752 349 HA LYS 47 HA LYS 47 5.119 0.124 8.292 350 HB2 LYS 47 1HB LYS 47 3.213 2.195 7.208 351 HB3 LYS 47 2HB LYS 47 3.160 1.642 8.876 352 HG2 LYS 47 1HG LYS 47 5.359 2.479 9.296 353 HG3 LYS 47 2HG LYS 47 5.594 2.853 7.587 354 HD2 LYS 47 1HD LYS 47 3.922 4.567 7.667 355 HD3 LYS 47 2HD LYS 47 3.453 4.102 9.304 356 HE2 LYS 47 1HE LYS 47 5.641 4.775 10.134 357 HE3 LYS 47 2HE LYS 47 6.149 5.192 8.498 358 HZ1 LYS 47 1HZ LYS 47 4.513 6.677 10.350 359 HZ2 LYS 47 2HZ LYS 47 3.891 6.626 8.779 360 HZ3 LYS 47 3HZ LYS 47 5.449 7.226 9.052 361 H LEU 48 H LEU 48 2.952 -0.317 5.619 362 HA LEU 48 HA LEU 48 0.885 -1.646 7.069 363 HB2 LEU 48 1HB LEU 48 0.284 -0.667 5.008 364 HB3 LEU 48 2HB LEU 48 1.597 -1.476 4.155 365 HG LEU 48 HG LEU 48 0.399 -3.645 4.566 366 HD11 LEU 48 1HD1 LEU 48 -2.068 -3.390 5.012 367 HD12 LEU 48 2HD1 LEU 48 -1.716 -1.750 5.556 368 HD13 LEU 48 3HD1 LEU 48 -1.007 -3.128 6.397 369 HD21 LEU 48 1HD2 LEU 48 -0.151 -3.277 2.447 370 HD22 LEU 48 2HD2 LEU 48 -0.201 -1.534 2.708 371 HD23 LEU 48 3HD2 LEU 48 -1.636 -2.513 3.014 372 H ILE 49 H ILE 49 3.297 -2.889 4.748 373 HA ILE 49 HA ILE 49 2.843 -5.589 5.108 374 HB ILE 49 HB ILE 49 4.324 -4.683 3.367 375 HG12 ILE 49 1HG1 ILE 49 6.183 -6.404 3.654 376 HG13 ILE 49 2HG1 ILE 49 5.468 -6.772 5.220 377 HG21 ILE 49 1HG2 ILE 49 5.693 -3.064 4.160 378 HG22 ILE 49 2HG2 ILE 49 5.886 -3.844 5.729 379 HG23 ILE 49 3HG2 ILE 49 6.804 -4.422 4.339 380 HD11 ILE 49 1HD1 ILE 49 4.782 -7.815 2.703 381 HD12 ILE 49 2HD1 ILE 49 4.015 -8.128 4.260 382 HD13 ILE 49 3HD1 ILE 49 3.426 -6.820 3.234 383 H ASN 50 H ASN 50 4.482 -3.346 7.193 384 HA ASN 50 HA ASN 50 5.907 -5.249 8.749 385 HB2 ASN 50 1HB ASN 50 5.209 -2.366 9.002 386 HB3 ASN 50 2HB ASN 50 5.677 -3.218 10.471 387 HD21 ASN 50 1HD2 ASN 50 6.911 -1.164 8.510 388 HD22 ASN 50 2HD2 ASN 50 8.526 -1.747 8.315 389 H ARG 51 H ARG 51 2.715 -3.769 9.013 390 HA ARG 51 HA ARG 51 2.111 -4.893 11.563 391 HB2 ARG 51 1HB ARG 51 1.011 -2.862 10.580 392 HB3 ARG 51 2HB ARG 51 0.166 -3.927 9.464 393 HG2 ARG 51 1HG ARG 51 -1.427 -3.738 11.066 394 HG3 ARG 51 2HG ARG 51 -0.544 -5.122 11.714 395 HD2 ARG 51 1HD ARG 51 0.045 -2.274 12.492 396 HD3 ARG 51 2HD ARG 51 -1.098 -3.294 13.364 397 HE ARG 51 HE ARG 51 1.772 -3.442 13.445 398 HH11 ARG 51 1HH1 ARG 51 -1.204 -5.183 13.925 399 HH12 ARG 51 2HH1 ARG 51 -0.507 -6.334 15.016 400 HH21 ARG 51 1HH2 ARG 51 2.702 -4.953 14.880 401 HH22 ARG 51 2HH2 ARG 51 1.714 -6.202 15.559 402 H LEU 52 H LEU 52 1.697 -5.929 8.246 403 HA LEU 52 HA LEU 52 -0.091 -8.075 8.810 404 HB2 LEU 52 1HB LEU 52 1.766 -7.807 6.455 405 HB3 LEU 52 2HB LEU 52 0.296 -8.776 6.552 406 HG LEU 52 HG LEU 52 0.358 -5.762 6.647 407 HD11 LEU 52 1HD1 LEU 52 -0.816 -6.302 4.316 408 HD12 LEU 52 2HD1 LEU 52 0.283 -7.679 4.395 409 HD13 LEU 52 3HD1 LEU 52 0.920 -6.036 4.470 410 HD21 LEU 52 1HD2 LEU 52 -1.677 -6.148 7.523 411 HD22 LEU 52 2HD2 LEU 52 -1.728 -7.814 6.945 412 HD23 LEU 52 3HD2 LEU 52 -2.123 -6.487 5.851 413 H MET 53 H MET 53 3.394 -7.975 8.062 414 HA MET 53 HA MET 53 3.644 -10.608 9.363 415 HB2 MET 53 1HB MET 53 5.207 -9.418 7.071 416 HB3 MET 53 2HB MET 53 5.724 -10.855 7.943 417 HG2 MET 53 1HG MET 53 3.399 -11.785 7.349 418 HG3 MET 53 2HG MET 53 3.355 -10.486 6.159 419 HE1 MET 53 1HE MET 53 4.171 -14.254 4.848 420 HE2 MET 53 2HE MET 53 4.709 -14.318 6.527 421 HE3 MET 53 3HE MET 53 3.155 -13.586 6.126 422 HA PRO 54 HA PRO 54 6.144 -8.549 12.369 423 HB2 PRO 54 1HB PRO 54 7.243 -10.759 13.499 424 HB3 PRO 54 2HB PRO 54 5.570 -10.266 13.784 425 HG2 PRO 54 1HG PRO 54 6.639 -12.342 11.911 426 HG3 PRO 54 2HG PRO 54 5.226 -12.420 12.978 427 HD2 PRO 54 1HD PRO 54 5.022 -11.920 10.325 428 HD3 PRO 54 2HD PRO 54 3.898 -11.232 11.515 429 H GLY 55 H GLY 55 7.735 -7.463 11.248 430 HA2 GLY 55 1HA GLY 55 10.049 -7.128 10.973 431 HA3 GLY 55 2HA GLY 55 10.284 -8.868 11.025 432 H SER 56 H SER 56 8.307 -6.715 8.985 433 HA SER 56 HA SER 56 9.039 -8.242 6.640 434 HB2 SER 56 1HB SER 56 7.354 -5.735 6.839 435 HB3 SER 56 2HB SER 56 7.453 -6.825 5.456 436 HG SER 56 HG SER 56 6.450 -7.451 8.037 437 H VAL 57 H VAL 57 9.288 -4.816 7.603 438 HA VAL 57 HA VAL 57 11.427 -4.477 5.617 439 HB VAL 57 HB VAL 57 9.831 -2.374 7.089 440 HG11 VAL 57 1HG1 VAL 57 11.949 -1.444 6.608 441 HG12 VAL 57 2HG1 VAL 57 11.994 -2.185 5.006 442 HG13 VAL 57 3HG1 VAL 57 10.868 -0.868 5.339 443 HG21 VAL 57 1HG2 VAL 57 9.348 -2.138 4.379 444 HG22 VAL 57 2HG2 VAL 57 9.342 -3.880 4.653 445 HG23 VAL 57 3HG2 VAL 57 8.258 -2.839 5.575 446 H GLU 58 H GLU 58 13.442 -3.746 6.177 447 HA GLU 58 HA GLU 58 14.207 -4.127 8.938 448 HB2 GLU 58 1HB GLU 58 15.799 -3.472 6.456 449 HB3 GLU 58 2HB GLU 58 16.518 -3.670 8.048 450 HG2 GLU 58 1HG GLU 58 15.207 -5.969 7.942 451 HG3 GLU 58 2HG GLU 58 15.383 -5.696 6.209 452 H LYS 59 H LYS 59 14.384 -1.477 6.570 453 HA LYS 59 HA LYS 59 13.873 0.491 8.578 454 HB2 LYS 59 1HB LYS 59 15.986 1.695 8.427 455 HB3 LYS 59 2HB LYS 59 16.254 0.064 9.029 456 HG2 LYS 59 1HG LYS 59 16.755 -0.509 6.558 457 HG3 LYS 59 2HG LYS 59 16.958 1.235 6.372 458 HD2 LYS 59 1HD LYS 59 19.106 0.636 6.890 459 HD3 LYS 59 2HD LYS 59 18.475 0.939 8.510 460 HE2 LYS 59 1HE LYS 59 18.394 -1.295 9.041 461 HE3 LYS 59 2HE LYS 59 18.227 -1.798 7.360 462 HZ1 LYS 59 1HZ LYS 59 20.716 -0.499 7.803 463 HZ2 LYS 59 2HZ LYS 59 20.410 -2.045 7.188 464 HZ3 LYS 59 3HZ LYS 59 20.529 -1.808 8.859 465 H PHE 60 H PHE 60 12.603 1.882 7.564 466 HA PHE 60 HA PHE 60 13.181 2.519 4.746 467 HB2 PHE 60 1HB PHE 60 10.757 2.886 4.443 468 HB3 PHE 60 2HB PHE 60 11.119 1.231 4.924 469 HD1 PHE 60 2HD PHE 60 10.705 0.523 7.277 470 HD2 PHE 60 1HD PHE 60 9.388 4.276 5.761 471 HE1 PHE 60 2HE PHE 60 9.128 0.724 9.154 472 HE2 PHE 60 1HE PHE 60 7.809 4.483 7.636 473 HZ PHE 60 HZ PHE 60 7.676 2.706 9.336 474 H CYS 61 H CYS 61 11.656 4.636 4.267 475 HA CYS 61 HA CYS 61 12.750 6.662 6.079 476 HB2 CYS 61 1HB CYS 61 13.021 6.582 3.447 477 HB3 CYS 61 2HB CYS 61 11.446 7.366 3.485 478 HG CYS 61 HG CYS 61 14.261 8.571 5.016 479 H LEU 62 H LEU 62 11.373 7.118 7.682 480 HA LEU 62 HA LEU 62 8.595 6.820 7.616 481 HB2 LEU 62 1HB LEU 62 10.487 8.333 9.362 482 HB3 LEU 62 2HB LEU 62 8.750 8.557 9.560 483 HG LEU 62 HG LEU 62 10.238 5.947 9.842 484 HD11 LEU 62 1HD1 LEU 62 10.124 8.034 11.625 485 HD12 LEU 62 2HD1 LEU 62 10.432 6.346 12.027 486 HD13 LEU 62 3HD1 LEU 62 8.797 6.995 12.142 487 HD21 LEU 62 1HD2 LEU 62 8.261 4.989 9.514 488 HD22 LEU 62 2HD2 LEU 62 7.452 6.554 9.425 489 HD23 LEU 62 3HD2 LEU 62 7.702 5.777 10.990 490 H ASP 63 H ASP 63 10.599 9.709 7.130 491 HA ASP 63 HA ASP 63 8.314 10.958 5.766 492 HB2 ASP 63 1HB ASP 63 9.256 13.171 6.732 493 HB3 ASP 63 2HB ASP 63 8.279 12.144 7.779 494 HA PRO 64 HA PRO 64 11.915 10.977 2.936 495 HB2 PRO 64 1HB PRO 64 10.409 10.754 0.689 496 HB3 PRO 64 2HB PRO 64 10.892 9.361 1.663 497 HG2 PRO 64 1HG PRO 64 8.291 10.843 1.637 498 HG3 PRO 64 2HG PRO 64 8.582 9.095 1.693 499 HD2 PRO 64 1HD PRO 64 7.955 10.539 3.896 500 HD3 PRO 64 2HD PRO 64 9.009 9.112 3.958 501 H GLN 65 H GLN 65 12.507 13.115 3.202 502 HA GLN 65 HA GLN 65 10.882 15.331 2.565 503 HB2 GLN 65 1HB GLN 65 13.778 14.908 3.123 504 HB3 GLN 65 2HB GLN 65 13.298 16.424 2.372 505 HG2 GLN 65 1HG GLN 65 13.213 16.993 4.579 506 HG3 GLN 65 2HG GLN 65 11.546 16.487 4.307 507 HE21 GLN 65 1HE2 GLN 65 11.189 15.953 6.439 508 HE22 GLN 65 2HE2 GLN 65 11.913 14.577 7.193 509 H THR 66 H THR 66 13.135 13.407 0.686 510 HA THR 66 HA THR 66 12.405 14.985 -1.695 511 HB THR 66 HB THR 66 14.571 14.379 -2.685 512 HG1 THR 66 1HG THR 66 15.698 12.842 -1.784 513 HG21 THR 66 1HG2 THR 66 15.867 15.961 -1.539 514 HG22 THR 66 2HG2 THR 66 15.134 15.568 0.016 515 HG23 THR 66 3HG2 THR 66 14.205 16.444 -1.200 516 H GLU 67 H GLU 67 12.798 13.646 -3.764 517 HA GLU 67 HA GLU 67 11.029 11.482 -3.773 518 HB2 GLU 67 1HB GLU 67 11.389 12.677 -5.804 519 HB3 GLU 67 2HB GLU 67 13.118 12.366 -5.758 520 HG2 GLU 67 1HG GLU 67 11.288 10.035 -5.872 521 HG3 GLU 67 2HG GLU 67 11.493 11.007 -7.328 522 H ALA 68 H ALA 68 14.578 11.453 -4.121 523 HA ALA 68 HA ALA 68 15.135 8.826 -4.337 524 HB1 ALA 68 1HB ALA 68 16.728 10.825 -4.045 525 HB2 ALA 68 2HB ALA 68 16.658 10.440 -2.325 526 HB3 ALA 68 3HB ALA 68 17.255 9.242 -3.473 527 H ASP 69 H ASP 69 14.280 10.477 -1.321 528 HA ASP 69 HA ASP 69 14.614 8.254 0.380 529 HB2 ASP 69 1HB ASP 69 13.141 10.854 0.578 530 HB3 ASP 69 2HB ASP 69 12.872 9.615 1.800 531 H CYS 70 H CYS 70 11.866 9.428 -1.489 532 HA CYS 70 HA CYS 70 9.915 7.715 -0.406 533 HB2 CYS 70 1HB CYS 70 10.160 9.179 -3.021 534 HB3 CYS 70 2HB CYS 70 8.798 8.110 -2.708 535 HG CYS 70 HG CYS 70 9.509 11.123 -1.349 536 H ILE 71 H ILE 71 11.720 7.418 -3.469 537 HA ILE 71 HA ILE 71 10.835 4.998 -4.349 538 HB ILE 71 HB ILE 71 13.684 5.999 -4.419 539 HG12 ILE 71 1HG1 ILE 71 12.225 7.555 -5.509 540 HG13 ILE 71 2HG1 ILE 71 13.028 6.627 -6.771 541 HG21 ILE 71 1HG2 ILE 71 12.724 3.454 -5.077 542 HG22 ILE 71 2HG2 ILE 71 12.946 4.294 -6.611 543 HG23 ILE 71 3HG2 ILE 71 14.294 4.147 -5.483 544 HD11 ILE 71 1HD1 ILE 71 10.184 6.574 -5.898 545 HD12 ILE 71 2HD1 ILE 71 10.866 6.661 -7.522 546 HD13 ILE 71 3HD1 ILE 71 10.896 5.138 -6.634 547 H ASN 72 H ASN 72 13.438 5.527 -1.986 548 HA ASN 72 HA ASN 72 14.258 2.934 -1.572 549 HB2 ASN 72 1HB ASN 72 14.046 5.284 0.296 550 HB3 ASN 72 2HB ASN 72 14.674 3.735 0.850 551 HD21 ASN 72 1HD2 ASN 72 16.172 6.066 0.873 552 HD22 ASN 72 2HD2 ASN 72 17.466 5.911 -0.261 553 H ASN 73 H ASN 73 11.578 4.630 0.035 554 HA ASN 73 HA ASN 73 10.783 2.594 1.755 555 HB2 ASN 73 1HB ASN 73 8.987 4.597 0.369 556 HB3 ASN 73 2HB ASN 73 8.622 3.720 1.852 557 HD21 ASN 73 1HD2 ASN 73 8.313 6.208 2.227 558 HD22 ASN 73 2HD2 ASN 73 9.652 6.978 3.001 559 H ILE 74 H ILE 74 9.389 3.379 -1.435 560 HA ILE 74 HA ILE 74 7.592 1.350 -1.711 561 HB ILE 74 HB ILE 74 9.425 2.431 -3.853 562 HG12 ILE 74 1HG1 ILE 74 6.537 3.141 -3.398 563 HG13 ILE 74 2HG1 ILE 74 7.825 3.977 -2.539 564 HG21 ILE 74 1HG2 ILE 74 7.261 1.679 -5.218 565 HG22 ILE 74 2HG2 ILE 74 8.640 0.612 -4.958 566 HG23 ILE 74 3HG2 ILE 74 7.210 0.470 -3.935 567 HD11 ILE 74 1HD1 ILE 74 7.002 5.115 -4.601 568 HD12 ILE 74 2HD1 ILE 74 8.738 4.809 -4.566 569 HD13 ILE 74 3HD1 ILE 74 7.680 3.782 -5.534 570 H ASN 75 H ASN 75 11.035 1.175 -2.616 571 HA ASN 75 HA ASN 75 11.055 -1.481 -3.462 572 HB2 ASN 75 1HB ASN 75 13.145 0.390 -2.417 573 HB3 ASN 75 2HB ASN 75 13.553 -1.308 -2.645 574 HD21 ASN 75 1HD2 ASN 75 12.952 1.703 -4.150 575 HD22 ASN 75 2HD2 ASN 75 13.241 1.203 -5.778 576 H ASP 76 H ASP 76 11.712 -0.124 -0.246 577 HA ASP 76 HA ASP 76 12.419 -2.420 1.107 578 HB2 ASP 76 1HB ASP 76 11.035 0.103 1.928 579 HB3 ASP 76 2HB ASP 76 11.162 -1.219 3.085 580 H PHE 77 H PHE 77 9.147 -1.139 0.568 581 HA PHE 77 HA PHE 77 7.708 -3.044 1.980 582 HB2 PHE 77 1HB PHE 77 6.516 -1.162 1.197 583 HB3 PHE 77 2HB PHE 77 7.037 -1.420 -0.465 584 HD1 PHE 77 1HD PHE 77 5.256 -3.372 2.176 585 HD2 PHE 77 2HD PHE 77 5.402 -2.133 -1.894 586 HE1 PHE 77 1HE PHE 77 3.182 -4.617 1.726 587 HE2 PHE 77 2HE PHE 77 3.328 -3.376 -2.350 588 HZ PHE 77 HZ PHE 77 2.215 -4.619 -0.539 589 H LEU 78 H LEU 78 8.635 -3.082 -1.456 590 HA LEU 78 HA LEU 78 7.474 -5.499 -2.170 591 HB2 LEU 78 1HB LEU 78 10.048 -4.282 -3.161 592 HB3 LEU 78 2HB LEU 78 9.180 -5.595 -3.954 593 HG LEU 78 HG LEU 78 7.921 -2.904 -3.497 594 HD11 LEU 78 1HD1 LEU 78 8.612 -2.218 -5.678 595 HD12 LEU 78 2HD1 LEU 78 9.391 -3.771 -5.979 596 HD13 LEU 78 3HD1 LEU 78 10.053 -2.672 -4.769 597 HD21 LEU 78 1HD2 LEU 78 6.724 -5.162 -4.171 598 HD22 LEU 78 2HD2 LEU 78 7.319 -4.721 -5.771 599 HD23 LEU 78 3HD2 LEU 78 6.260 -3.619 -4.889 600 H LYS 79 H LYS 79 10.723 -4.888 -0.872 601 HA LYS 79 HA LYS 79 11.917 -7.303 -0.978 602 HB2 LYS 79 1HB LYS 79 11.823 -5.553 1.487 603 HB3 LYS 79 2HB LYS 79 13.038 -6.778 1.143 604 HG2 LYS 79 1HG LYS 79 13.506 -5.423 -0.988 605 HG3 LYS 79 2HG LYS 79 12.607 -4.131 -0.187 606 HD2 LYS 79 1HD LYS 79 14.749 -3.643 0.486 607 HD3 LYS 79 2HD LYS 79 14.219 -4.681 1.812 608 HE2 LYS 79 1HE LYS 79 15.394 -6.543 0.945 609 HE3 LYS 79 2HE LYS 79 15.670 -5.741 -0.600 610 HZ1 LYS 79 1HZ LYS 79 16.731 -4.425 1.774 611 HZ2 LYS 79 2HZ LYS 79 17.389 -4.550 0.220 612 HZ3 LYS 79 3HZ LYS 79 17.500 -5.853 1.293 613 H GLY 80 H GLY 80 9.403 -6.377 1.345 614 HA2 GLY 80 1HA GLY 80 9.424 -8.984 2.598 615 HA3 GLY 80 2HA GLY 80 8.333 -7.655 2.964 616 H CYS 81 H CYS 81 7.446 -7.273 0.244 617 HA CYS 81 HA CYS 81 5.188 -8.844 0.183 618 HB2 CYS 81 1HB CYS 81 6.633 -7.626 -2.180 619 HB3 CYS 81 2HB CYS 81 4.966 -8.188 -2.189 620 HG CYS 81 HG CYS 81 5.809 -5.851 0.109 621 H ALA 82 H ALA 82 8.291 -9.428 -1.422 622 HA ALA 82 HA ALA 82 7.744 -11.578 -3.002 623 HB1 ALA 82 1HB ALA 82 10.149 -12.258 -1.732 624 HB2 ALA 82 2HB ALA 82 9.940 -11.384 -3.250 625 HB3 ALA 82 3HB ALA 82 10.078 -10.495 -1.733 626 H THR 83 H THR 83 8.293 -11.625 0.499 627 HA THR 83 HA THR 83 8.314 -14.351 0.952 628 HB THR 83 HB THR 83 7.006 -12.295 2.743 629 HG1 THR 83 1HG THR 83 9.661 -13.184 3.043 630 HG21 THR 83 1HG2 THR 83 8.214 -15.004 3.313 631 HG22 THR 83 2HG2 THR 83 6.512 -14.560 3.439 632 HG23 THR 83 3HG2 THR 83 7.692 -13.855 4.544 633 H LEU 84 H LEU 84 5.576 -12.211 0.410 634 HA LEU 84 HA LEU 84 3.582 -14.142 1.077 635 HB2 LEU 84 1HB LEU 84 3.464 -11.566 -0.478 636 HB3 LEU 84 2HB LEU 84 2.049 -12.545 -0.098 637 HG LEU 84 HG LEU 84 3.787 -11.615 2.138 638 HD11 LEU 84 1HD1 LEU 84 3.587 -9.498 1.393 639 HD12 LEU 84 2HD1 LEU 84 1.962 -9.640 2.060 640 HD13 LEU 84 3HD1 LEU 84 2.230 -9.882 0.334 641 HD21 LEU 84 1HD2 LEU 84 0.816 -12.025 1.811 642 HD22 LEU 84 2HD2 LEU 84 1.632 -11.557 3.303 643 HD23 LEU 84 3HD2 LEU 84 1.943 -13.138 2.586 644 H GLN 85 H GLN 85 5.522 -13.552 -1.684 645 HA GLN 85 HA GLN 85 5.673 -14.567 -3.714 646 HB2 GLN 85 1HB GLN 85 3.788 -16.551 -2.432 647 HB3 GLN 85 2HB GLN 85 4.594 -16.795 -3.975 648 HG2 GLN 85 1HG GLN 85 6.750 -16.773 -2.907 649 HG3 GLN 85 2HG GLN 85 6.013 -16.375 -1.356 650 HE21 GLN 85 1HE2 GLN 85 6.695 -18.164 -0.270 651 HE22 GLN 85 2HE2 GLN 85 6.152 -19.764 -0.626 652 H VAL 86 H VAL 86 3.853 -12.449 -3.439 653 HA VAL 86 HA VAL 86 1.703 -13.251 -5.291 654 HB VAL 86 HB VAL 86 0.458 -11.259 -4.486 655 HG11 VAL 86 1HG1 VAL 86 0.796 -13.740 -3.237 656 HG12 VAL 86 2HG1 VAL 86 0.761 -12.549 -1.935 657 HG13 VAL 86 3HG1 VAL 86 -0.574 -12.641 -3.085 658 HG21 VAL 86 1HG2 VAL 86 1.659 -9.689 -3.447 659 HG22 VAL 86 2HG2 VAL 86 1.547 -10.714 -2.016 660 HG23 VAL 86 3HG2 VAL 86 2.960 -10.818 -3.066 661 H GLU 87 H GLU 87 1.088 -11.692 -6.917 662 HA GLU 87 HA GLU 87 3.036 -10.804 -8.557 663 HB2 GLU 87 1HB GLU 87 1.440 -9.355 -9.611 664 HB3 GLU 87 2HB GLU 87 0.587 -10.785 -9.048 665 HG2 GLU 87 1HG GLU 87 0.676 -8.438 -7.242 666 HG3 GLU 87 2HG GLU 87 -0.347 -8.340 -8.674 667 H ILE 88 H ILE 88 4.218 -8.935 -8.913 668 HA ILE 88 HA ILE 88 4.186 -6.940 -6.748 669 HB ILE 88 HB ILE 88 6.647 -6.752 -6.955 670 HG12 ILE 88 1HG1 ILE 88 6.728 -9.402 -8.331 671 HG13 ILE 88 2HG1 ILE 88 6.480 -7.958 -9.307 672 HG21 ILE 88 1HG2 ILE 88 6.880 -9.366 -6.131 673 HG22 ILE 88 2HG2 ILE 88 6.426 -7.997 -5.116 674 HG23 ILE 88 3HG2 ILE 88 5.177 -9.005 -5.847 675 HD11 ILE 88 1HD1 ILE 88 8.594 -7.250 -7.721 676 HD12 ILE 88 2HD1 ILE 88 8.888 -8.961 -8.028 677 HD13 ILE 88 3HD1 ILE 88 8.697 -7.843 -9.378 678 H PHE 89 H PHE 89 5.560 -4.961 -7.444 679 HA PHE 89 HA PHE 89 5.335 -4.403 -10.301 680 HB2 PHE 89 1HB PHE 89 4.196 -2.234 -9.834 681 HB3 PHE 89 2HB PHE 89 3.203 -3.639 -9.461 682 HD1 PHE 89 2HD PHE 89 2.667 -4.212 -7.168 683 HD2 PHE 89 1HD PHE 89 5.024 -0.790 -8.093 684 HE1 PHE 89 2HE PHE 89 2.315 -3.357 -4.888 685 HE2 PHE 89 1HE PHE 89 4.677 0.069 -5.814 686 HZ PHE 89 HZ PHE 89 3.320 -1.213 -4.208 687 H ASP 90 H ASP 90 6.195 -2.072 -10.710 688 HA ASP 90 HA ASP 90 8.734 -1.873 -9.265 689 HB2 ASP 90 1HB ASP 90 7.803 -1.112 -11.991 690 HB3 ASP 90 2HB ASP 90 9.092 -0.153 -11.269 691 HA PRO 91 HA PRO 91 7.748 1.876 -7.213 692 HB2 PRO 91 1HB PRO 91 10.106 3.216 -7.329 693 HB3 PRO 91 2HB PRO 91 9.853 1.804 -6.296 694 HG2 PRO 91 1HG PRO 91 11.171 1.977 -8.978 695 HG3 PRO 91 2HG PRO 91 11.679 1.076 -7.538 696 HD2 PRO 91 1HD PRO 91 10.411 -0.101 -9.621 697 HD3 PRO 91 2HD PRO 91 10.207 -0.651 -7.945 698 H ASP 92 H ASP 92 8.523 1.840 -10.504 699 HA ASP 92 HA ASP 92 8.363 4.689 -10.937 700 HB2 ASP 92 1HB ASP 92 8.107 2.588 -13.078 701 HB3 ASP 92 2HB ASP 92 8.739 4.227 -13.217 702 H ASP 93 H ASP 93 6.308 1.878 -11.664 703 HA ASP 93 HA ASP 93 4.182 3.242 -12.834 704 HB2 ASP 93 1HB ASP 93 3.032 1.255 -12.732 705 HB3 ASP 93 2HB ASP 93 4.671 0.662 -12.477 706 H LEU 94 H LEU 94 4.955 2.699 -9.450 707 HA LEU 94 HA LEU 94 2.462 3.753 -8.484 708 HB2 LEU 94 1HB LEU 94 3.547 2.146 -7.121 709 HB3 LEU 94 2HB LEU 94 5.064 3.042 -7.156 710 HG LEU 94 HG LEU 94 4.002 4.815 -5.794 711 HD11 LEU 94 1HD1 LEU 94 1.639 3.785 -6.604 712 HD12 LEU 94 2HD1 LEU 94 1.837 4.822 -5.192 713 HD13 LEU 94 3HD1 LEU 94 1.775 3.071 -4.997 714 HD21 LEU 94 1HD2 LEU 94 4.710 3.769 -3.955 715 HD22 LEU 94 2HD2 LEU 94 4.992 2.372 -4.994 716 HD23 LEU 94 3HD2 LEU 94 3.480 2.513 -4.095 717 H TYR 95 H TYR 95 5.835 4.903 -8.298 718 HA TYR 95 HA TYR 95 5.291 7.421 -7.248 719 HB2 TYR 95 1HB TYR 95 7.553 6.420 -7.403 720 HB3 TYR 95 2HB TYR 95 7.531 6.682 -9.144 721 HD1 TYR 95 2HD TYR 95 7.785 8.298 -5.861 722 HD2 TYR 95 1HD TYR 95 7.833 8.895 -10.073 723 HE1 TYR 95 2HE TYR 95 8.708 10.553 -5.525 724 HE2 TYR 95 1HE TYR 95 8.757 11.151 -9.749 725 HH TYR 95 HH TYR 95 9.356 12.702 -8.278 726 H SER 96 H SER 96 6.025 6.676 -10.662 727 HA SER 96 HA SER 96 5.269 9.207 -11.635 728 HB2 SER 96 1HB SER 96 6.723 7.674 -12.897 729 HB3 SER 96 2HB SER 96 5.371 6.561 -13.105 730 HG SER 96 HG SER 96 4.387 8.705 -14.003 731 H GLY 97 H GLY 97 3.533 6.092 -11.717 732 HA2 GLY 97 1HA GLY 97 1.202 5.911 -11.243 733 HA3 GLY 97 2HA GLY 97 1.010 7.597 -11.701 734 H VAL 98 H VAL 98 2.739 5.126 -13.529 735 HA VAL 98 HA VAL 98 1.226 5.763 -15.892 736 HB VAL 98 HB VAL 98 3.335 3.647 -15.439 737 HG11 VAL 98 1HG1 VAL 98 3.492 3.591 -17.898 738 HG12 VAL 98 2HG1 VAL 98 1.919 3.050 -17.310 739 HG13 VAL 98 3HG1 VAL 98 2.098 4.666 -17.994 740 HG21 VAL 98 1HG2 VAL 98 4.883 5.220 -15.744 741 HG22 VAL 98 2HG2 VAL 98 4.042 5.872 -17.151 742 HG23 VAL 98 3HG2 VAL 98 3.599 6.410 -15.530 743 H ASN 99 H ASN 99 1.769 2.751 -14.054 744 HA ASN 99 HA ASN 99 -0.879 1.838 -14.968 745 HB2 ASN 99 1HB ASN 99 1.714 0.322 -14.767 746 HB3 ASN 99 2HB ASN 99 0.165 -0.514 -14.717 747 HD21 ASN 99 1HD2 ASN 99 1.719 -1.255 -16.677 748 HD22 ASN 99 2HD2 ASN 99 1.228 -0.589 -18.194 749 H PHE 100 H PHE 100 -1.758 2.705 -13.018 750 HA PHE 100 HA PHE 100 -0.848 1.854 -10.454 751 HB2 PHE 100 1HB PHE 100 -2.073 3.961 -10.759 752 HB3 PHE 100 2HB PHE 100 -3.499 3.063 -11.271 753 HD1 PHE 100 2HD PHE 100 -1.104 2.736 -8.424 754 HD2 PHE 100 1HD PHE 100 -5.148 3.145 -9.688 755 HE1 PHE 100 2HE PHE 100 -1.847 2.591 -6.083 756 HE2 PHE 100 1HE PHE 100 -5.897 3.003 -7.348 757 HZ PHE 100 HZ PHE 100 -4.246 2.724 -5.542 758 H SER 101 H SER 101 -3.450 0.839 -12.620 759 HA SER 101 HA SER 101 -4.995 -0.809 -11.200 760 HB2 SER 101 1HB SER 101 -3.706 -1.468 -13.857 761 HB3 SER 101 2HB SER 101 -5.061 -2.362 -13.168 762 HG SER 101 HG SER 101 -5.030 0.398 -13.835 763 H LYS 102 H LYS 102 -1.667 -1.525 -12.128 764 HA LYS 102 HA LYS 102 -1.587 -4.181 -11.198 765 HB2 LYS 102 1HB LYS 102 0.523 -2.093 -11.680 766 HB3 LYS 102 2HB LYS 102 0.941 -3.666 -11.013 767 HG2 LYS 102 1HG LYS 102 0.245 -4.792 -12.961 768 HG3 LYS 102 2HG LYS 102 -0.582 -3.361 -13.583 769 HD2 LYS 102 1HD LYS 102 1.354 -3.323 -14.824 770 HD3 LYS 102 2HD LYS 102 1.813 -2.302 -13.459 771 HE2 LYS 102 1HE LYS 102 2.322 -5.257 -13.425 772 HE3 LYS 102 2HE LYS 102 3.438 -4.153 -14.229 773 HZ1 LYS 102 1HZ LYS 102 2.750 -4.311 -11.362 774 HZ2 LYS 102 2HZ LYS 102 3.413 -2.901 -12.019 775 HZ3 LYS 102 3HZ LYS 102 4.277 -4.353 -12.088 776 H VAL 103 H VAL 103 -0.256 -1.248 -9.654 777 HA VAL 103 HA VAL 103 0.486 -2.297 -7.238 778 HB VAL 103 HB VAL 103 -0.848 0.392 -7.569 779 HG11 VAL 103 1HG1 VAL 103 1.286 0.496 -5.751 780 HG12 VAL 103 2HG1 VAL 103 -0.439 0.619 -5.397 781 HG13 VAL 103 3HG1 VAL 103 0.365 -0.951 -5.342 782 HG21 VAL 103 1HG2 VAL 103 1.828 -0.612 -8.373 783 HG22 VAL 103 2HG2 VAL 103 0.800 0.602 -9.133 784 HG23 VAL 103 3HG2 VAL 103 1.728 1.011 -7.690 785 H LEU 104 H LEU 104 -2.744 -1.197 -8.191 786 HA LEU 104 HA LEU 104 -4.041 -1.438 -5.749 787 HB2 LEU 104 1HB LEU 104 -4.937 -0.496 -7.916 788 HB3 LEU 104 2HB LEU 104 -5.264 -2.158 -8.402 789 HG LEU 104 HG LEU 104 -6.771 -2.375 -6.433 790 HD11 LEU 104 1HD1 LEU 104 -5.768 -0.617 -5.055 791 HD12 LEU 104 2HD1 LEU 104 -7.499 -0.366 -5.276 792 HD13 LEU 104 3HD1 LEU 104 -6.343 0.601 -6.193 793 HD21 LEU 104 1HD2 LEU 104 -8.138 -0.189 -7.617 794 HD22 LEU 104 2HD2 LEU 104 -8.350 -1.913 -7.919 795 HD23 LEU 104 3HD2 LEU 104 -7.191 -0.986 -8.874 796 H SER 105 H SER 105 -3.866 -3.878 -8.346 797 HA SER 105 HA SER 105 -5.147 -5.936 -6.966 798 HB2 SER 105 1HB SER 105 -4.912 -6.382 -9.229 799 HB3 SER 105 2HB SER 105 -3.234 -5.839 -9.268 800 HG SER 105 HG SER 105 -3.598 -8.177 -9.397 801 H THR 106 H THR 106 -1.643 -5.425 -7.389 802 HA THR 106 HA THR 106 -0.540 -7.438 -6.009 803 HB THR 106 HB THR 106 0.212 -4.521 -5.795 804 HG1 THR 106 1HG THR 106 1.634 -6.513 -7.196 805 HG21 THR 106 1HG2 THR 106 2.510 -5.871 -5.293 806 HG22 THR 106 2HG2 THR 106 1.336 -6.900 -4.473 807 HG23 THR 106 3HG2 THR 106 1.466 -5.195 -4.043 808 H LEU 107 H LEU 107 -2.154 -4.658 -4.542 809 HA LEU 107 HA LEU 107 -1.603 -5.533 -1.856 810 HB2 LEU 107 1HB LEU 107 -3.261 -3.341 -3.054 811 HB3 LEU 107 2HB LEU 107 -3.340 -3.710 -1.332 812 HG LEU 107 HG LEU 107 -0.834 -2.897 -2.804 813 HD11 LEU 107 1HD1 LEU 107 -2.994 -1.344 -1.545 814 HD12 LEU 107 2HD1 LEU 107 -1.836 -0.882 -2.791 815 HD13 LEU 107 3HD1 LEU 107 -1.353 -0.879 -1.095 816 HD21 LEU 107 1HD2 LEU 107 -0.731 -2.449 -0.008 817 HD22 LEU 107 2HD2 LEU 107 0.248 -3.546 -0.982 818 HD23 LEU 107 3HD2 LEU 107 -1.264 -4.110 -0.270 819 H LEU 108 H LEU 108 -4.296 -5.699 -4.111 820 HA LEU 108 HA LEU 108 -6.342 -6.494 -2.432 821 HB2 LEU 108 1HB LEU 108 -5.689 -6.949 -5.290 822 HB3 LEU 108 2HB LEU 108 -6.954 -7.947 -4.575 823 HG LEU 108 HG LEU 108 -6.965 -4.930 -4.615 824 HD11 LEU 108 1HD1 LEU 108 -8.625 -6.797 -6.290 825 HD12 LEU 108 2HD1 LEU 108 -7.142 -6.037 -6.865 826 HD13 LEU 108 3HD1 LEU 108 -8.520 -5.040 -6.400 827 HD21 LEU 108 1HD2 LEU 108 -8.875 -4.992 -3.434 828 HD22 LEU 108 2HD2 LEU 108 -8.284 -6.567 -2.905 829 HD23 LEU 108 3HD2 LEU 108 -9.443 -6.460 -4.231 830 H ALA 109 H ALA 109 -3.879 -8.504 -4.009 831 HA ALA 109 HA ALA 109 -4.817 -10.988 -3.087 832 HB1 ALA 109 1HB ALA 109 -2.238 -9.981 -4.173 833 HB2 ALA 109 2HB ALA 109 -2.261 -11.561 -3.390 834 HB3 ALA 109 3HB ALA 109 -3.303 -11.250 -4.778 835 H VAL 110 H VAL 110 -2.230 -8.897 -1.803 836 HA VAL 110 HA VAL 110 -1.412 -10.373 0.351 837 HB VAL 110 HB VAL 110 -1.798 -7.377 0.262 838 HG11 VAL 110 1HG1 VAL 110 -0.418 -7.176 2.140 839 HG12 VAL 110 2HG1 VAL 110 -1.525 -8.486 2.554 840 HG13 VAL 110 3HG1 VAL 110 0.121 -8.852 2.037 841 HG21 VAL 110 1HG2 VAL 110 0.533 -9.155 -0.435 842 HG22 VAL 110 2HG2 VAL 110 -0.355 -8.073 -1.508 843 HG23 VAL 110 3HG2 VAL 110 0.660 -7.408 -0.228 844 H ASN 111 H ASN 111 -4.013 -7.930 0.423 845 HA ASN 111 HA ASN 111 -4.848 -8.180 3.012 846 HB2 ASN 111 1HB ASN 111 -5.990 -6.532 1.869 847 HB3 ASN 111 2HB ASN 111 -6.276 -7.555 0.464 848 HD21 ASN 111 1HD2 ASN 111 -7.201 -7.073 3.832 849 HD22 ASN 111 2HD2 ASN 111 -8.808 -7.682 3.665 850 H LYS 112 H LYS 112 -5.775 -10.232 0.275 851 HA LYS 112 HA LYS 112 -7.580 -11.863 1.721 852 HB2 LYS 112 1HB LYS 112 -7.605 -11.726 -0.725 853 HB3 LYS 112 2HB LYS 112 -6.012 -12.469 -0.794 854 HG2 LYS 112 1HG LYS 112 -7.295 -14.294 -1.207 855 HG3 LYS 112 2HG LYS 112 -7.238 -14.381 0.555 856 HD2 LYS 112 1HD LYS 112 -9.381 -12.909 0.428 857 HD3 LYS 112 2HD LYS 112 -9.474 -13.506 -1.231 858 HE2 LYS 112 1HE LYS 112 -9.326 -15.221 1.247 859 HE3 LYS 112 2HE LYS 112 -10.790 -14.878 0.326 860 HZ1 LYS 112 1HZ LYS 112 -8.438 -16.090 -0.979 861 HZ2 LYS 112 2HZ LYS 112 -10.060 -16.140 -1.456 862 HZ3 LYS 112 3HZ LYS 112 -9.541 -17.051 -0.128 863 H ALA 113 H ALA 113 -4.216 -12.442 0.688 864 HA ALA 113 HA ALA 113 -3.835 -14.924 1.839 865 HB1 ALA 113 1HB ALA 113 -1.978 -14.480 0.669 866 HB2 ALA 113 2HB ALA 113 -2.110 -12.740 0.933 867 HB3 ALA 113 3HB ALA 113 -1.387 -13.768 2.171 868 H THR 114 H THR 114 -3.514 -11.725 3.321 869 HA THR 114 HA THR 114 -2.542 -12.654 5.818 870 HB THR 114 HB THR 114 -3.230 -10.404 6.670 871 HG1 THR 114 1HG THR 114 -3.879 -9.712 4.014 872 HG21 THR 114 1HG2 THR 114 -1.713 -10.345 4.058 873 HG22 THR 114 2HG2 THR 114 -1.027 -10.791 5.620 874 HG23 THR 114 3HG2 THR 114 -1.619 -9.152 5.353 875 H GLU 115 H GLU 115 -5.778 -11.882 4.609 876 HA GLU 115 HA GLU 115 -6.975 -12.639 7.154 877 HB2 GLU 115 1HB GLU 115 -8.985 -11.730 6.353 878 HB3 GLU 115 2HB GLU 115 -7.741 -10.667 5.711 879 HG2 GLU 115 1HG GLU 115 -9.001 -10.938 3.847 880 HG3 GLU 115 2HG GLU 115 -7.897 -12.298 3.648 881 H SER 116 H SER 116 -9.146 -13.952 6.789 882 HA SER 116 HA SER 116 -8.526 -16.271 5.084 883 HB2 SER 116 1HB SER 116 -9.420 -17.747 6.844 884 HB3 SER 116 2HB SER 116 -8.030 -16.828 7.422 885 HG SER 116 HG SER 116 -10.579 -15.750 7.806 886 H GLY 117 H GLY 117 -10.148 -16.991 3.833 887 HA2 GLY 117 1HA GLY 117 -12.826 -15.830 4.303 888 HA3 GLY 117 2HA GLY 117 -12.157 -16.104 2.701 889 HA PRO 118 HA PRO 118 -14.284 -19.947 2.621 890 HB2 PRO 118 1HB PRO 118 -12.819 -21.220 0.723 891 HB3 PRO 118 2HB PRO 118 -13.952 -19.915 0.348 892 HG2 PRO 118 1HG PRO 118 -10.976 -19.811 0.653 893 HG3 PRO 118 2HG PRO 118 -12.003 -19.036 -0.567 894 HD2 PRO 118 1HD PRO 118 -11.022 -17.699 1.573 895 HD3 PRO 118 2HD PRO 118 -12.593 -17.311 0.843 896 H SER 119 H SER 119 -11.045 -19.618 3.615 897 HA SER 119 HA SER 119 -9.894 -22.004 3.897 898 HB2 SER 119 1HB SER 119 -8.925 -21.293 5.983 899 HB3 SER 119 2HB SER 119 -9.130 -19.863 4.972 900 HG SER 119 HG SER 119 -9.854 -19.780 7.274 901 H SER 120 H SER 120 -10.039 -23.855 5.139 902 HA SER 120 HA SER 120 -12.683 -24.336 6.319 903 HB2 SER 120 1HB SER 120 -12.074 -26.755 6.092 904 HB3 SER 120 2HB SER 120 -12.120 -25.890 4.555 905 HG SER 120 HG SER 120 -10.251 -27.102 4.614 906 H GLY 121 H GLY 121 -12.517 -26.173 8.089 907 HA2 GLY 121 1HA GLY 121 -11.506 -25.068 10.397 908 HA3 GLY 121 2HA GLY 121 -11.829 -26.783 10.197 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -28.583 4.122 -8.574 2 HA2 GLY 1 1HA GLY 1 -26.534 4.859 -7.734 3 HA3 GLY 1 2HA GLY 1 -26.781 3.852 -6.316 4 H SER 2 H SER 2 -24.322 4.013 -7.585 5 HA SER 2 HA SER 2 -23.671 2.248 -9.559 6 HB2 SER 2 1HB SER 2 -21.460 2.111 -8.599 7 HB3 SER 2 2HB SER 2 -22.076 3.740 -8.326 8 HG SER 2 HG SER 2 -22.836 2.619 -6.222 9 H SER 3 H SER 3 -23.037 0.066 -9.656 10 HA SER 3 HA SER 3 -23.959 -1.612 -7.419 11 HB2 SER 3 1HB SER 3 -25.635 -1.681 -9.205 12 HB3 SER 3 2HB SER 3 -24.392 -2.137 -10.370 13 HG SER 3 HG SER 3 -24.375 -4.119 -9.600 14 H GLY 4 H GLY 4 -21.852 -1.924 -6.677 15 HA2 GLY 4 1HA GLY 4 -20.378 -3.982 -6.932 16 HA3 GLY 4 2HA GLY 4 -20.040 -3.334 -8.530 17 H SER 5 H SER 5 -17.863 -3.746 -7.200 18 HA SER 5 HA SER 5 -17.042 -1.083 -6.262 19 HB2 SER 5 1HB SER 5 -15.569 -2.171 -4.581 20 HB3 SER 5 2HB SER 5 -17.280 -2.472 -4.277 21 HG SER 5 HG SER 5 -15.270 -4.227 -4.963 22 H SER 6 H SER 6 -14.676 -0.750 -6.382 23 HA SER 6 HA SER 6 -13.584 -2.127 -8.740 24 HB2 SER 6 1HB SER 6 -13.975 0.407 -8.765 25 HB3 SER 6 2HB SER 6 -12.615 0.512 -7.646 26 HG SER 6 HG SER 6 -12.339 0.584 -10.132 27 H GLY 7 H GLY 7 -12.487 -0.629 -5.691 28 HA2 GLY 7 1HA GLY 7 -11.197 -2.558 -4.426 29 HA3 GLY 7 2HA GLY 7 -10.082 -2.286 -5.758 30 H GLU 8 H GLU 8 -10.284 0.493 -5.984 31 HA GLU 8 HA GLU 8 -8.340 1.453 -4.367 32 HB2 GLU 8 1HB GLU 8 -10.732 2.939 -5.456 33 HB3 GLU 8 2HB GLU 8 -9.355 3.737 -4.708 34 HG2 GLU 8 1HG GLU 8 -8.820 3.887 -6.928 35 HG3 GLU 8 2HG GLU 8 -7.974 2.411 -6.467 36 H GLU 9 H GLU 9 -11.824 1.801 -3.691 37 HA GLU 9 HA GLU 9 -11.531 2.999 -1.172 38 HB2 GLU 9 1HB GLU 9 -13.750 1.464 -2.488 39 HB3 GLU 9 2HB GLU 9 -13.896 1.981 -0.814 40 HG2 GLU 9 1HG GLU 9 -13.496 4.310 -1.546 41 HG3 GLU 9 2HG GLU 9 -13.491 3.747 -3.216 42 H GLN 10 H GLN 10 -11.968 -0.405 -2.079 43 HA GLN 10 HA GLN 10 -12.142 -1.536 0.436 44 HB2 GLN 10 1HB GLN 10 -11.117 -2.508 -2.197 45 HB3 GLN 10 2HB GLN 10 -10.861 -3.503 -0.769 46 HG2 GLN 10 1HG GLN 10 -13.595 -2.470 -1.293 47 HG3 GLN 10 2HG GLN 10 -12.986 -3.786 -2.295 48 HE21 GLN 10 1HE2 GLN 10 -11.579 -5.310 -0.622 49 HE22 GLN 10 2HE2 GLN 10 -12.573 -5.928 0.648 50 H ILE 11 H ILE 11 -9.234 -0.722 -1.422 51 HA ILE 11 HA ILE 11 -7.389 -1.743 0.470 52 HB ILE 11 HB ILE 11 -7.003 0.373 -1.650 53 HG12 ILE 11 1HG1 ILE 11 -7.704 -1.916 -2.421 54 HG13 ILE 11 2HG1 ILE 11 -6.138 -1.389 -3.029 55 HG21 ILE 11 1HG2 ILE 11 -5.102 0.766 -0.519 56 HG22 ILE 11 2HG2 ILE 11 -5.203 -0.748 0.379 57 HG23 ILE 11 3HG2 ILE 11 -4.560 -0.738 -1.263 58 HD11 ILE 11 1HD1 ILE 11 -5.441 -3.401 -2.374 59 HD12 ILE 11 2HD1 ILE 11 -5.442 -2.709 -0.751 60 HD13 ILE 11 3HD1 ILE 11 -6.828 -3.643 -1.313 61 H VAL 12 H VAL 12 -8.661 1.516 -0.130 62 HA VAL 12 HA VAL 12 -7.144 2.933 1.712 63 HB VAL 12 HB VAL 12 -10.024 3.400 0.929 64 HG11 VAL 12 1HG1 VAL 12 -9.494 4.575 2.986 65 HG12 VAL 12 2HG1 VAL 12 -8.042 5.255 2.247 66 HG13 VAL 12 3HG1 VAL 12 -9.637 5.717 1.650 67 HG21 VAL 12 1HG2 VAL 12 -9.283 4.252 -0.992 68 HG22 VAL 12 2HG2 VAL 12 -8.037 5.195 -0.174 69 HG23 VAL 12 3HG2 VAL 12 -7.724 3.517 -0.620 70 H THR 13 H THR 13 -10.297 1.356 2.199 71 HA THR 13 HA THR 13 -10.507 2.007 4.944 72 HB THR 13 HB THR 13 -11.808 -0.278 3.448 73 HG1 THR 13 1HG THR 13 -13.494 1.177 3.137 74 HG21 THR 13 1HG2 THR 13 -12.081 -0.761 5.728 75 HG22 THR 13 2HG2 THR 13 -13.563 0.088 5.286 76 HG23 THR 13 3HG2 THR 13 -12.285 0.938 6.154 77 H TRP 14 H TRP 14 -9.143 -0.745 3.222 78 HA TRP 14 HA TRP 14 -8.789 -2.486 5.376 79 HB2 TRP 14 1HB TRP 14 -8.450 -3.369 3.207 80 HB3 TRP 14 2HB TRP 14 -7.278 -2.120 2.795 81 HD1 TRP 14 HD TRP 14 -7.173 -4.323 5.968 82 HE1 TRP 14 1HE TRP 14 -4.972 -5.657 5.943 83 HE3 TRP 14 3HE TRP 14 -5.429 -2.924 1.371 84 HZ2 TRP 14 2HZ TRP 14 -2.785 -6.062 4.204 85 HZ3 TRP 14 3HZ TRP 14 -3.274 -3.829 0.601 86 HH2 TRP 14 HH TRP 14 -1.981 -5.365 1.990 87 H LEU 15 H LEU 15 -6.377 -0.277 3.944 88 HA LEU 15 HA LEU 15 -4.345 -0.657 5.772 89 HB2 LEU 15 1HB LEU 15 -5.101 1.921 4.404 90 HB3 LEU 15 2HB LEU 15 -3.537 1.561 5.132 91 HG LEU 15 HG LEU 15 -4.608 -0.115 2.889 92 HD11 LEU 15 1HD1 LEU 15 -4.720 2.165 2.081 93 HD12 LEU 15 2HD1 LEU 15 -3.369 1.319 1.327 94 HD13 LEU 15 3HD1 LEU 15 -3.072 2.466 2.633 95 HD21 LEU 15 1HD2 LEU 15 -2.504 -0.952 2.752 96 HD22 LEU 15 2HD2 LEU 15 -2.489 -0.505 4.459 97 HD23 LEU 15 3HD2 LEU 15 -1.749 0.558 3.261 98 H ILE 16 H ILE 16 -6.518 2.173 5.824 99 HA ILE 16 HA ILE 16 -5.910 3.246 8.226 100 HB ILE 16 HB ILE 16 -8.705 2.895 7.136 101 HG12 ILE 16 1HG1 ILE 16 -6.897 5.303 6.929 102 HG13 ILE 16 2HG1 ILE 16 -6.956 4.052 5.693 103 HG21 ILE 16 1HG2 ILE 16 -9.029 5.073 8.492 104 HG22 ILE 16 2HG2 ILE 16 -9.062 3.527 9.337 105 HG23 ILE 16 3HG2 ILE 16 -7.613 4.530 9.391 106 HD11 ILE 16 1HD1 ILE 16 -8.385 5.687 4.893 107 HD12 ILE 16 2HD1 ILE 16 -9.480 4.525 5.642 108 HD13 ILE 16 3HD1 ILE 16 -9.063 6.015 6.487 109 H SER 17 H SER 17 -8.403 0.729 7.799 110 HA SER 17 HA SER 17 -9.187 0.307 10.360 111 HB2 SER 17 1HB SER 17 -10.074 -0.947 8.431 112 HB3 SER 17 2HB SER 17 -8.577 -1.876 8.351 113 HG SER 17 HG SER 17 -10.715 -2.379 9.812 114 H LEU 18 H LEU 18 -6.320 -1.150 8.841 115 HA LEU 18 HA LEU 18 -5.437 -2.622 11.041 116 HB2 LEU 18 1HB LEU 18 -3.992 -1.386 8.718 117 HB3 LEU 18 2HB LEU 18 -3.144 -2.319 9.950 118 HG LEU 18 HG LEU 18 -5.401 -3.416 8.279 119 HD11 LEU 18 1HD1 LEU 18 -3.351 -4.686 7.258 120 HD12 LEU 18 2HD1 LEU 18 -2.470 -3.248 7.771 121 HD13 LEU 18 3HD1 LEU 18 -3.821 -3.100 6.648 122 HD21 LEU 18 1HD2 LEU 18 -5.112 -5.367 9.359 123 HD22 LEU 18 2HD2 LEU 18 -4.431 -4.347 10.626 124 HD23 LEU 18 3HD2 LEU 18 -3.364 -5.163 9.482 125 H GLY 19 H GLY 19 -5.011 0.766 10.222 126 HA2 GLY 19 1HA GLY 19 -4.732 2.398 11.958 127 HA3 GLY 19 2HA GLY 19 -3.883 1.187 12.907 128 H VAL 20 H VAL 20 -3.225 1.665 9.513 129 HA VAL 20 HA VAL 20 -0.570 2.709 10.243 130 HB VAL 20 HB VAL 20 0.223 1.835 8.092 131 HG11 VAL 20 1HG1 VAL 20 0.464 -0.346 8.797 132 HG12 VAL 20 2HG1 VAL 20 0.002 0.459 10.298 133 HG13 VAL 20 3HG1 VAL 20 -1.197 -0.454 9.381 134 HG21 VAL 20 1HG2 VAL 20 -2.552 0.687 7.805 135 HG22 VAL 20 2HG2 VAL 20 -1.893 2.021 6.858 136 HG23 VAL 20 3HG2 VAL 20 -1.191 0.409 6.719 137 H LEU 21 H LEU 21 -3.384 3.204 8.228 138 HA LEU 21 HA LEU 21 -2.173 5.655 7.140 139 HB2 LEU 21 1HB LEU 21 -2.943 4.070 5.462 140 HB3 LEU 21 2HB LEU 21 -4.551 4.068 6.183 141 HG LEU 21 HG LEU 21 -4.823 6.427 5.548 142 HD11 LEU 21 1HD1 LEU 21 -2.046 6.047 4.485 143 HD12 LEU 21 2HD1 LEU 21 -2.673 7.329 5.520 144 HD13 LEU 21 3HD1 LEU 21 -3.131 7.268 3.819 145 HD21 LEU 21 1HD2 LEU 21 -5.556 5.892 3.483 146 HD22 LEU 21 2HD2 LEU 21 -5.123 4.257 3.983 147 HD23 LEU 21 3HD2 LEU 21 -4.009 5.201 2.994 148 H GLU 22 H GLU 22 -3.098 7.620 7.478 149 HA GLU 22 HA GLU 22 -4.958 7.839 9.656 150 HB2 GLU 22 1HB GLU 22 -4.662 10.246 9.408 151 HB3 GLU 22 2HB GLU 22 -3.105 9.430 9.391 152 HG2 GLU 22 1HG GLU 22 -3.254 9.523 6.859 153 HG3 GLU 22 2HG GLU 22 -4.590 10.649 7.090 154 H SER 23 H SER 23 -7.049 8.626 9.617 155 HA SER 23 HA SER 23 -8.385 8.417 7.017 156 HB2 SER 23 1HB SER 23 -10.420 8.021 8.236 157 HB3 SER 23 2HB SER 23 -9.165 7.014 8.957 158 HG SER 23 HG SER 23 -9.637 7.970 10.755 159 HA PRO 24 HA PRO 24 -8.718 12.852 6.963 160 HB2 PRO 24 1HB PRO 24 -10.215 12.999 4.703 161 HB3 PRO 24 2HB PRO 24 -8.476 12.683 4.684 162 HG2 PRO 24 1HG PRO 24 -10.754 10.754 4.454 163 HG3 PRO 24 2HG PRO 24 -9.240 10.813 3.533 164 HD2 PRO 24 1HD PRO 24 -9.627 9.098 5.592 165 HD3 PRO 24 2HD PRO 24 -8.035 9.783 5.206 166 H LYS 25 H LYS 25 -10.447 14.466 6.962 167 HA LYS 25 HA LYS 25 -12.738 13.524 8.468 168 HB2 LYS 25 1HB LYS 25 -11.835 16.308 7.712 169 HB3 LYS 25 2HB LYS 25 -13.235 15.957 8.717 170 HG2 LYS 25 1HG LYS 25 -11.865 15.028 10.432 171 HG3 LYS 25 2HG LYS 25 -10.435 15.092 9.399 172 HD2 LYS 25 1HD LYS 25 -11.979 17.562 10.145 173 HD3 LYS 25 2HD LYS 25 -10.690 16.920 11.165 174 HE2 LYS 25 1HE LYS 25 -9.060 17.275 9.509 175 HE3 LYS 25 2HE LYS 25 -10.271 17.492 8.246 176 HZ1 LYS 25 1HZ LYS 25 -10.860 19.590 9.102 177 HZ2 LYS 25 2HZ LYS 25 -9.169 19.570 9.077 178 HZ3 LYS 25 3HZ LYS 25 -9.996 19.351 10.536 179 H LYS 26 H LYS 26 -12.165 15.370 5.482 180 HA LYS 26 HA LYS 26 -14.959 15.283 4.762 181 HB2 LYS 26 1HB LYS 26 -13.173 17.118 4.217 182 HB3 LYS 26 2HB LYS 26 -12.776 16.067 2.864 183 HG2 LYS 26 1HG LYS 26 -14.305 17.407 1.857 184 HG3 LYS 26 2HG LYS 26 -15.391 16.166 2.486 185 HD2 LYS 26 1HD LYS 26 -15.513 17.693 4.580 186 HD3 LYS 26 2HD LYS 26 -14.900 18.943 3.495 187 HE2 LYS 26 1HE LYS 26 -17.238 17.285 2.658 188 HE3 LYS 26 2HE LYS 26 -17.477 18.596 3.812 189 HZ1 LYS 26 1HZ LYS 26 -16.784 20.178 2.264 190 HZ2 LYS 26 2HZ LYS 26 -17.763 19.133 1.364 191 HZ3 LYS 26 3HZ LYS 26 -16.079 19.028 1.243 192 H THR 27 H THR 27 -15.830 14.222 2.942 193 HA THR 27 HA THR 27 -14.979 11.576 2.568 194 HB THR 27 HB THR 27 -17.261 11.978 2.160 195 HG1 THR 27 1HG THR 27 -17.481 11.329 -0.063 196 HG21 THR 27 1HG2 THR 27 -17.477 14.251 1.728 197 HG22 THR 27 2HG2 THR 27 -17.885 13.531 0.171 198 HG23 THR 27 3HG2 THR 27 -16.283 14.220 0.431 199 H ILE 28 H ILE 28 -13.800 10.565 1.006 200 HA ILE 28 HA ILE 28 -12.064 12.250 -0.597 201 HB ILE 28 HB ILE 28 -12.082 9.241 -0.339 202 HG12 ILE 28 1HG1 ILE 28 -10.188 11.162 1.007 203 HG13 ILE 28 2HG1 ILE 28 -11.671 10.615 1.782 204 HG21 ILE 28 1HG2 ILE 28 -9.769 9.425 -1.194 205 HG22 ILE 28 2HG2 ILE 28 -10.980 9.958 -2.358 206 HG23 ILE 28 3HG2 ILE 28 -10.035 11.147 -1.462 207 HD11 ILE 28 1HD1 ILE 28 -9.317 9.411 2.109 208 HD12 ILE 28 2HD1 ILE 28 -10.855 8.552 2.183 209 HD13 ILE 28 3HD1 ILE 28 -9.897 8.520 0.703 210 H CYS 29 H CYS 29 -13.380 13.041 -2.232 211 HA CYS 29 HA CYS 29 -15.137 11.492 -3.789 212 HB2 CYS 29 1HB CYS 29 -13.710 14.083 -4.416 213 HB3 CYS 29 2HB CYS 29 -14.972 13.387 -5.425 214 HG CYS 29 HG CYS 29 -15.333 14.549 -2.228 215 H ASP 30 H ASP 30 -11.726 12.302 -4.179 216 HA ASP 30 HA ASP 30 -11.616 10.499 -6.505 217 HB2 ASP 30 1HB ASP 30 -10.861 13.032 -6.575 218 HB3 ASP 30 2HB ASP 30 -9.387 12.383 -5.862 219 HA PRO 31 HA PRO 31 -9.486 8.219 -3.111 220 HB2 PRO 31 1HB PRO 31 -10.382 5.781 -3.898 221 HB3 PRO 31 2HB PRO 31 -11.316 6.855 -2.851 222 HG2 PRO 31 1HG PRO 31 -11.561 6.400 -5.800 223 HG3 PRO 31 2HG PRO 31 -12.840 6.549 -4.581 224 HD2 PRO 31 1HD PRO 31 -12.138 8.592 -6.213 225 HD3 PRO 31 2HD PRO 31 -12.723 8.851 -4.557 226 H GLU 32 H GLU 32 -9.748 7.502 -6.568 227 HA GLU 32 HA GLU 32 -7.666 5.719 -6.880 228 HB2 GLU 32 1HB GLU 32 -9.252 6.432 -8.666 229 HB3 GLU 32 2HB GLU 32 -8.374 7.949 -8.793 230 HG2 GLU 32 1HG GLU 32 -6.323 6.348 -9.165 231 HG3 GLU 32 2HG GLU 32 -7.584 5.220 -9.657 232 H GLU 33 H GLU 33 -7.449 9.258 -7.294 233 HA GLU 33 HA GLU 33 -4.642 9.318 -7.518 234 HB2 GLU 33 1HB GLU 33 -6.632 11.450 -6.739 235 HB3 GLU 33 2HB GLU 33 -4.918 11.769 -6.965 236 HG2 GLU 33 1HG GLU 33 -5.017 11.327 -9.255 237 HG3 GLU 33 2HG GLU 33 -6.568 10.502 -9.119 238 H PHE 34 H PHE 34 -6.783 9.954 -4.752 239 HA PHE 34 HA PHE 34 -4.994 10.708 -2.838 240 HB2 PHE 34 1HB PHE 34 -7.399 10.560 -2.422 241 HB3 PHE 34 2HB PHE 34 -7.317 8.803 -2.481 242 HD1 PHE 34 2HD PHE 34 -6.160 11.766 -0.586 243 HD2 PHE 34 1HD PHE 34 -6.799 7.558 -0.571 244 HE1 PHE 34 2HE PHE 34 -5.719 11.711 1.833 245 HE2 PHE 34 1HE PHE 34 -6.359 7.496 1.849 246 HZ PHE 34 HZ PHE 34 -5.817 9.575 3.055 247 H LEU 35 H LEU 35 -5.898 7.332 -3.546 248 HA LEU 35 HA LEU 35 -4.123 6.103 -1.790 249 HB2 LEU 35 1HB LEU 35 -5.492 5.272 -4.300 250 HB3 LEU 35 2HB LEU 35 -4.231 4.232 -3.642 251 HG LEU 35 HG LEU 35 -6.497 5.114 -1.899 252 HD11 LEU 35 1HD1 LEU 35 -8.005 3.672 -2.763 253 HD12 LEU 35 2HD1 LEU 35 -6.774 2.536 -3.311 254 HD13 LEU 35 3HD1 LEU 35 -7.112 3.989 -4.251 255 HD21 LEU 35 1HD2 LEU 35 -4.243 3.619 -1.466 256 HD22 LEU 35 2HD2 LEU 35 -5.467 2.385 -1.762 257 HD23 LEU 35 3HD2 LEU 35 -5.706 3.576 -0.482 258 H LYS 36 H LYS 36 -3.672 6.959 -5.208 259 HA LYS 36 HA LYS 36 -1.138 5.909 -5.597 260 HB2 LYS 36 1HB LYS 36 -2.354 8.425 -6.751 261 HB3 LYS 36 2HB LYS 36 -0.881 7.672 -7.348 262 HG2 LYS 36 1HG LYS 36 -2.041 5.767 -8.108 263 HG3 LYS 36 2HG LYS 36 -3.499 6.207 -7.215 264 HD2 LYS 36 1HD LYS 36 -4.099 6.897 -9.312 265 HD3 LYS 36 2HD LYS 36 -3.343 8.376 -8.713 266 HE2 LYS 36 1HE LYS 36 -1.650 6.355 -10.102 267 HE3 LYS 36 2HE LYS 36 -2.717 7.373 -11.068 268 HZ1 LYS 36 1HZ LYS 36 -1.171 8.935 -10.955 269 HZ2 LYS 36 2HZ LYS 36 -0.236 8.027 -9.878 270 HZ3 LYS 36 3HZ LYS 36 -1.440 9.059 -9.289 271 H SER 37 H SER 37 -2.072 9.050 -4.256 272 HA SER 37 HA SER 37 0.606 9.987 -3.956 273 HB2 SER 37 1HB SER 37 -2.005 10.905 -2.738 274 HB3 SER 37 2HB SER 37 -0.469 11.735 -2.493 275 HG SER 37 HG SER 37 -1.990 12.369 -4.327 276 H SER 38 H SER 38 -1.600 8.143 -1.981 277 HA SER 38 HA SER 38 -0.134 8.447 0.458 278 HB2 SER 38 1HB SER 38 -2.635 7.762 0.084 279 HB3 SER 38 2HB SER 38 -1.974 6.134 -0.060 280 HG SER 38 HG SER 38 -2.047 6.151 2.037 281 H LEU 39 H LEU 39 -0.188 6.108 -2.164 282 HA LEU 39 HA LEU 39 1.752 4.411 -0.800 283 HB2 LEU 39 1HB LEU 39 0.501 4.090 -3.523 284 HB3 LEU 39 2HB LEU 39 1.455 2.886 -2.659 285 HG LEU 39 HG LEU 39 -1.191 3.934 -1.669 286 HD11 LEU 39 1HD1 LEU 39 -2.043 1.696 -2.453 287 HD12 LEU 39 2HD1 LEU 39 -0.560 1.554 -3.396 288 HD13 LEU 39 3HD1 LEU 39 -1.689 2.869 -3.722 289 HD21 LEU 39 1HD2 LEU 39 -0.257 1.273 -0.898 290 HD22 LEU 39 2HD2 LEU 39 -0.938 2.568 0.087 291 HD23 LEU 39 3HD2 LEU 39 0.775 2.587 -0.334 292 H LYS 40 H LYS 40 1.624 6.907 -3.154 293 HA LYS 40 HA LYS 40 3.613 6.574 -4.907 294 HB2 LYS 40 1HB LYS 40 2.561 8.684 -4.870 295 HB3 LYS 40 2HB LYS 40 3.009 8.973 -3.194 296 HG2 LYS 40 1HG LYS 40 5.328 9.250 -3.827 297 HG3 LYS 40 2HG LYS 40 4.936 8.870 -5.506 298 HD2 LYS 40 1HD LYS 40 3.484 11.098 -4.160 299 HD3 LYS 40 2HD LYS 40 5.146 11.364 -4.689 300 HE2 LYS 40 1HE LYS 40 4.004 12.011 -6.567 301 HE3 LYS 40 2HE LYS 40 4.263 10.304 -6.924 302 HZ1 LYS 40 1HZ LYS 40 2.082 9.822 -6.661 303 HZ2 LYS 40 2HZ LYS 40 1.899 11.443 -7.109 304 HZ3 LYS 40 3HZ LYS 40 1.829 11.004 -5.476 305 H ASN 41 H ASN 41 4.477 8.227 -1.879 306 HA ASN 41 HA ASN 41 7.188 7.896 -2.004 307 HB2 ASN 41 1HB ASN 41 6.950 7.791 0.634 308 HB3 ASN 41 2HB ASN 41 6.578 9.263 -0.258 309 HD21 ASN 41 1HD2 ASN 41 5.317 9.745 1.672 310 HD22 ASN 41 2HD2 ASN 41 3.703 9.138 1.786 311 H GLY 42 H GLY 42 4.924 5.716 -0.312 312 HA2 GLY 42 1HA GLY 42 5.187 3.308 -0.663 313 HA3 GLY 42 2HA GLY 42 6.924 3.570 -0.662 314 H VAL 43 H VAL 43 6.052 5.587 1.646 315 HA VAL 43 HA VAL 43 6.964 3.984 3.767 316 HB VAL 43 HB VAL 43 7.173 6.391 3.874 317 HG11 VAL 43 1HG1 VAL 43 5.358 7.897 3.994 318 HG12 VAL 43 2HG1 VAL 43 4.989 6.804 2.659 319 HG13 VAL 43 3HG1 VAL 43 4.192 6.594 4.219 320 HG21 VAL 43 1HG2 VAL 43 5.558 5.025 5.981 321 HG22 VAL 43 2HG2 VAL 43 7.238 5.558 6.025 322 HG23 VAL 43 3HG2 VAL 43 5.935 6.740 6.145 323 H VAL 44 H VAL 44 3.681 5.124 2.986 324 HA VAL 44 HA VAL 44 2.307 3.976 5.095 325 HB VAL 44 HB VAL 44 1.442 4.461 2.249 326 HG11 VAL 44 1HG1 VAL 44 -0.095 3.326 4.556 327 HG12 VAL 44 2HG1 VAL 44 -0.903 4.259 3.295 328 HG13 VAL 44 3HG1 VAL 44 -0.038 2.779 2.881 329 HG21 VAL 44 1HG2 VAL 44 0.059 6.230 3.502 330 HG22 VAL 44 2HG2 VAL 44 1.162 5.935 4.846 331 HG23 VAL 44 3HG2 VAL 44 1.789 6.514 3.303 332 H LEU 45 H LEU 45 3.903 2.433 2.503 333 HA LEU 45 HA LEU 45 2.356 -0.021 2.713 334 HB2 LEU 45 1HB LEU 45 4.747 0.730 1.043 335 HB3 LEU 45 2HB LEU 45 3.976 -0.854 1.004 336 HG LEU 45 HG LEU 45 2.422 1.637 0.389 337 HD11 LEU 45 1HD1 LEU 45 3.557 0.047 -1.836 338 HD12 LEU 45 2HD1 LEU 45 4.635 1.172 -1.011 339 HD13 LEU 45 3HD1 LEU 45 3.149 1.761 -1.756 340 HD21 LEU 45 1HD2 LEU 45 0.874 -0.007 0.468 341 HD22 LEU 45 2HD2 LEU 45 2.053 -1.284 0.166 342 HD23 LEU 45 3HD2 LEU 45 1.443 -0.312 -1.173 343 H CYS 46 H CYS 46 5.656 1.112 3.358 344 HA CYS 46 HA CYS 46 6.767 -1.269 4.251 345 HB2 CYS 46 1HB CYS 46 7.317 1.578 5.101 346 HB3 CYS 46 2HB CYS 46 8.306 0.210 5.598 347 HG CYS 46 HG CYS 46 7.801 0.919 2.299 348 H LYS 47 H LYS 47 4.571 0.913 5.841 349 HA LYS 47 HA LYS 47 4.948 -0.250 8.456 350 HB2 LYS 47 1HB LYS 47 2.951 1.733 7.364 351 HB3 LYS 47 2HB LYS 47 2.944 1.179 9.033 352 HG2 LYS 47 1HG LYS 47 5.230 2.053 9.305 353 HG3 LYS 47 2HG LYS 47 5.167 2.669 7.651 354 HD2 LYS 47 1HD LYS 47 3.616 4.299 8.178 355 HD3 LYS 47 2HD LYS 47 3.024 3.425 9.593 356 HE2 LYS 47 1HE LYS 47 5.847 4.371 9.580 357 HE3 LYS 47 2HE LYS 47 4.565 5.555 9.829 358 HZ1 LYS 47 1HZ LYS 47 4.085 4.739 11.853 359 HZ2 LYS 47 2HZ LYS 47 5.668 4.146 11.794 360 HZ3 LYS 47 3HZ LYS 47 4.369 3.131 11.413 361 H LEU 48 H LEU 48 2.696 -0.558 5.782 362 HA LEU 48 HA LEU 48 0.696 -2.029 7.105 363 HB2 LEU 48 1HB LEU 48 0.118 -1.123 5.029 364 HB3 LEU 48 2HB LEU 48 1.544 -1.794 4.240 365 HG LEU 48 HG LEU 48 0.537 -4.058 4.485 366 HD11 LEU 48 1HD1 LEU 48 -0.935 -3.584 6.372 367 HD12 LEU 48 2HD1 LEU 48 -1.839 -4.232 5.004 368 HD13 LEU 48 3HD1 LEU 48 -1.896 -2.506 5.359 369 HD21 LEU 48 1HD2 LEU 48 -1.590 -2.859 2.991 370 HD22 LEU 48 2HD2 LEU 48 -0.183 -3.750 2.409 371 HD23 LEU 48 3HD2 LEU 48 -0.080 -2.007 2.662 372 H ILE 49 H ILE 49 3.141 -3.277 4.823 373 HA ILE 49 HA ILE 49 2.774 -5.963 5.229 374 HB ILE 49 HB ILE 49 4.316 -4.962 3.549 375 HG12 ILE 49 1HG1 ILE 49 6.073 -6.764 3.769 376 HG13 ILE 49 2HG1 ILE 49 5.373 -7.160 5.334 377 HG21 ILE 49 1HG2 ILE 49 6.743 -4.967 4.953 378 HG22 ILE 49 2HG2 ILE 49 5.914 -3.585 4.239 379 HG23 ILE 49 3HG2 ILE 49 5.619 -4.016 5.923 380 HD11 ILE 49 1HD1 ILE 49 4.670 -8.261 2.930 381 HD12 ILE 49 2HD1 ILE 49 3.710 -8.310 4.409 382 HD13 ILE 49 3HD1 ILE 49 3.403 -7.065 3.199 383 H ASN 50 H ASN 50 4.232 -3.663 7.368 384 HA ASN 50 HA ASN 50 5.655 -5.525 8.990 385 HB2 ASN 50 1HB ASN 50 4.855 -2.654 9.244 386 HB3 ASN 50 2HB ASN 50 5.411 -3.511 10.679 387 HD21 ASN 50 1HD2 ASN 50 6.820 -1.389 9.838 388 HD22 ASN 50 2HD2 ASN 50 8.321 -1.887 9.143 389 H ARG 51 H ARG 51 2.433 -4.095 9.108 390 HA ARG 51 HA ARG 51 1.759 -5.217 11.649 391 HB2 ARG 51 1HB ARG 51 0.706 -3.173 10.538 392 HB3 ARG 51 2HB ARG 51 -0.193 -4.308 9.540 393 HG2 ARG 51 1HG ARG 51 -1.715 -3.984 11.190 394 HG3 ARG 51 2HG ARG 51 -0.817 -5.327 11.900 395 HD2 ARG 51 1HD ARG 51 0.024 -2.509 12.439 396 HD3 ARG 51 2HD ARG 51 -1.332 -3.207 13.323 397 HE ARG 51 HE ARG 51 0.640 -5.057 13.589 398 HH11 ARG 51 1HH1 ARG 51 0.411 -1.642 14.223 399 HH12 ARG 51 2HH1 ARG 51 1.547 -1.676 15.531 400 HH21 ARG 51 1HH2 ARG 51 2.137 -5.115 15.309 401 HH22 ARG 51 2HH2 ARG 51 2.529 -3.652 16.147 402 H LEU 52 H LEU 52 1.784 -6.380 8.416 403 HA LEU 52 HA LEU 52 -0.126 -8.500 8.891 404 HB2 LEU 52 1HB LEU 52 1.759 -8.146 6.568 405 HB3 LEU 52 2HB LEU 52 0.338 -9.187 6.633 406 HG LEU 52 HG LEU 52 0.252 -6.174 6.750 407 HD11 LEU 52 1HD1 LEU 52 0.831 -7.781 4.545 408 HD12 LEU 52 2HD1 LEU 52 0.329 -6.090 4.534 409 HD13 LEU 52 3HD1 LEU 52 -0.877 -7.369 4.386 410 HD21 LEU 52 1HD2 LEU 52 -2.182 -6.963 5.935 411 HD22 LEU 52 2HD2 LEU 52 -1.762 -6.702 7.628 412 HD23 LEU 52 3HD2 LEU 52 -1.750 -8.334 6.958 413 H MET 53 H MET 53 3.373 -8.285 8.264 414 HA MET 53 HA MET 53 3.663 -10.914 9.562 415 HB2 MET 53 1HB MET 53 5.211 -9.749 7.247 416 HB3 MET 53 2HB MET 53 5.730 -11.174 8.137 417 HG2 MET 53 1HG MET 53 3.056 -10.979 6.786 418 HG3 MET 53 2HG MET 53 4.501 -11.584 5.979 419 HE1 MET 53 1HE MET 53 5.031 -14.031 5.883 420 HE2 MET 53 2HE MET 53 3.822 -15.174 6.467 421 HE3 MET 53 3HE MET 53 3.343 -13.850 5.405 422 HA PRO 54 HA PRO 54 6.162 -8.780 12.513 423 HB2 PRO 54 1HB PRO 54 7.343 -10.951 13.638 424 HB3 PRO 54 2HB PRO 54 5.660 -10.505 13.945 425 HG2 PRO 54 1HG PRO 54 6.763 -12.559 12.067 426 HG3 PRO 54 2HG PRO 54 5.367 -12.673 13.156 427 HD2 PRO 54 1HD PRO 54 5.110 -12.194 10.503 428 HD3 PRO 54 2HD PRO 54 3.984 -11.533 11.706 429 H GLY 55 H GLY 55 7.741 -7.644 11.462 430 HA2 GLY 55 1HA GLY 55 10.040 -7.263 11.150 431 HA3 GLY 55 2HA GLY 55 10.305 -9.001 11.145 432 H SER 56 H SER 56 8.319 -6.762 9.204 433 HA SER 56 HA SER 56 9.095 -8.205 6.798 434 HB2 SER 56 1HB SER 56 7.236 -5.831 6.986 435 HB3 SER 56 2HB SER 56 7.337 -7.023 5.690 436 HG SER 56 HG SER 56 6.773 -7.904 8.287 437 H VAL 57 H VAL 57 9.022 -4.800 7.862 438 HA VAL 57 HA VAL 57 11.143 -4.219 5.910 439 HB VAL 57 HB VAL 57 9.127 -2.429 7.256 440 HG11 VAL 57 1HG1 VAL 57 11.775 -1.781 6.189 441 HG12 VAL 57 2HG1 VAL 57 10.465 -0.809 5.514 442 HG13 VAL 57 3HG1 VAL 57 10.723 -0.854 7.259 443 HG21 VAL 57 1HG2 VAL 57 9.497 -2.234 4.378 444 HG22 VAL 57 2HG2 VAL 57 9.034 -3.855 4.896 445 HG23 VAL 57 3HG2 VAL 57 8.022 -2.472 5.315 446 H GLU 58 H GLU 58 13.108 -3.538 6.548 447 HA GLU 58 HA GLU 58 13.777 -3.717 9.339 448 HB2 GLU 58 1HB GLU 58 15.455 -2.987 6.933 449 HB3 GLU 58 2HB GLU 58 16.086 -3.226 8.556 450 HG2 GLU 58 1HG GLU 58 14.597 -5.343 7.029 451 HG3 GLU 58 2HG GLU 58 16.351 -5.165 6.998 452 H LYS 59 H LYS 59 14.279 -1.149 6.912 453 HA LYS 59 HA LYS 59 13.525 0.856 8.883 454 HB2 LYS 59 1HB LYS 59 16.224 0.847 7.519 455 HB3 LYS 59 2HB LYS 59 15.574 2.190 8.451 456 HG2 LYS 59 1HG LYS 59 15.968 -0.548 9.619 457 HG3 LYS 59 2HG LYS 59 17.226 0.690 9.631 458 HD2 LYS 59 1HD LYS 59 14.512 1.390 10.644 459 HD3 LYS 59 2HD LYS 59 15.571 0.410 11.660 460 HE2 LYS 59 1HE LYS 59 16.536 2.958 10.408 461 HE3 LYS 59 2HE LYS 59 15.634 2.972 11.923 462 HZ1 LYS 59 1HZ LYS 59 18.306 2.679 11.713 463 HZ2 LYS 59 2HZ LYS 59 17.799 1.073 11.866 464 HZ3 LYS 59 3HZ LYS 59 17.385 2.206 13.052 465 H PHE 60 H PHE 60 12.092 2.098 7.891 466 HA PHE 60 HA PHE 60 12.511 2.730 5.043 467 HB2 PHE 60 1HB PHE 60 10.084 2.812 4.764 468 HB3 PHE 60 2HB PHE 60 10.580 1.235 5.370 469 HD1 PHE 60 2HD PHE 60 10.534 0.999 7.990 470 HD2 PHE 60 1HD PHE 60 8.316 3.875 5.770 471 HE1 PHE 60 2HE PHE 60 8.954 1.223 9.864 472 HE2 PHE 60 1HE PHE 60 6.733 4.103 7.640 473 HZ PHE 60 HZ PHE 60 7.051 2.775 9.690 474 H CYS 61 H CYS 61 11.328 4.770 4.379 475 HA CYS 61 HA CYS 61 12.036 6.861 6.267 476 HB2 CYS 61 1HB CYS 61 12.632 6.891 3.787 477 HB3 CYS 61 2HB CYS 61 10.934 7.238 3.485 478 HG CYS 61 HG CYS 61 11.632 9.418 5.661 479 H LEU 62 H LEU 62 10.622 7.817 7.562 480 HA LEU 62 HA LEU 62 7.818 7.211 7.377 481 HB2 LEU 62 1HB LEU 62 9.447 8.911 9.247 482 HB3 LEU 62 2HB LEU 62 7.693 8.784 9.363 483 HG LEU 62 HG LEU 62 9.658 6.516 9.684 484 HD11 LEU 62 1HD1 LEU 62 9.494 6.743 11.933 485 HD12 LEU 62 2HD1 LEU 62 7.860 7.403 11.861 486 HD13 LEU 62 3HD1 LEU 62 9.243 8.432 11.490 487 HD21 LEU 62 1HD2 LEU 62 6.835 6.557 9.116 488 HD22 LEU 62 2HD2 LEU 62 7.147 5.815 10.685 489 HD23 LEU 62 3HD2 LEU 62 7.937 5.185 9.239 490 H ASP 63 H ASP 63 9.779 10.167 7.135 491 HA ASP 63 HA ASP 63 7.569 11.393 5.623 492 HB2 ASP 63 1HB ASP 63 9.311 12.624 7.754 493 HB3 ASP 63 2HB ASP 63 8.421 13.602 6.590 494 HA PRO 64 HA PRO 64 11.349 11.331 2.983 495 HB2 PRO 64 1HB PRO 64 9.999 10.786 0.692 496 HB3 PRO 64 2HB PRO 64 10.530 9.529 1.816 497 HG2 PRO 64 1HG PRO 64 7.829 10.784 1.516 498 HG3 PRO 64 2HG PRO 64 8.250 9.078 1.751 499 HD2 PRO 64 1HD PRO 64 7.384 10.656 3.773 500 HD3 PRO 64 2HD PRO 64 8.540 9.332 4.023 501 H GLN 65 H GLN 65 11.958 13.404 2.746 502 HA GLN 65 HA GLN 65 10.099 15.397 1.748 503 HB2 GLN 65 1HB GLN 65 11.893 15.680 3.623 504 HB3 GLN 65 2HB GLN 65 13.002 15.923 2.280 505 HG2 GLN 65 1HG GLN 65 11.617 17.775 1.479 506 HG3 GLN 65 2HG GLN 65 10.527 17.539 2.844 507 HE21 GLN 65 1HE2 GLN 65 10.852 19.520 3.761 508 HE22 GLN 65 2HE2 GLN 65 12.349 20.005 4.473 509 H THR 66 H THR 66 12.755 13.481 0.607 510 HA THR 66 HA THR 66 12.726 14.950 -1.947 511 HB THR 66 HB THR 66 14.936 13.945 -2.397 512 HG1 THR 66 1HG THR 66 15.941 13.043 -0.358 513 HG21 THR 66 1HG2 THR 66 16.199 15.361 -0.959 514 HG22 THR 66 2HG2 THR 66 14.952 15.317 0.287 515 HG23 THR 66 3HG2 THR 66 14.654 16.165 -1.230 516 H GLU 67 H GLU 67 13.238 13.530 -3.875 517 HA GLU 67 HA GLU 67 11.277 11.486 -4.053 518 HB2 GLU 67 1HB GLU 67 11.784 12.776 -6.010 519 HB3 GLU 67 2HB GLU 67 13.485 12.337 -5.926 520 HG2 GLU 67 1HG GLU 67 11.466 10.174 -6.213 521 HG3 GLU 67 2HG GLU 67 11.853 11.170 -7.615 522 H ALA 68 H ALA 68 14.794 11.469 -3.757 523 HA ALA 68 HA ALA 68 15.244 8.742 -4.179 524 HB1 ALA 68 1HB ALA 68 16.721 10.965 -2.930 525 HB2 ALA 68 2HB ALA 68 17.201 9.342 -2.432 526 HB3 ALA 68 3HB ALA 68 17.241 9.789 -4.137 527 H ASP 69 H ASP 69 14.200 10.496 -1.322 528 HA ASP 69 HA ASP 69 14.518 8.299 0.479 529 HB2 ASP 69 1HB ASP 69 13.203 10.988 0.620 530 HB3 ASP 69 2HB ASP 69 12.871 9.793 1.871 531 H CYS 70 H CYS 70 12.084 9.296 -1.754 532 HA CYS 70 HA CYS 70 9.943 7.810 -0.541 533 HB2 CYS 70 1HB CYS 70 10.296 9.328 -3.099 534 HB3 CYS 70 2HB CYS 70 8.931 8.233 -2.925 535 HG CYS 70 HG CYS 70 7.496 10.176 -2.035 536 H ILE 71 H ILE 71 11.737 7.433 -3.603 537 HA ILE 71 HA ILE 71 10.756 5.024 -4.438 538 HB ILE 71 HB ILE 71 13.617 5.972 -4.616 539 HG12 ILE 71 1HG1 ILE 71 12.163 7.542 -5.681 540 HG13 ILE 71 2HG1 ILE 71 12.887 6.572 -6.959 541 HG21 ILE 71 1HG2 ILE 71 13.784 3.708 -5.093 542 HG22 ILE 71 2HG2 ILE 71 12.199 3.651 -5.862 543 HG23 ILE 71 3HG2 ILE 71 13.551 4.428 -6.686 544 HD11 ILE 71 1HD1 ILE 71 10.093 6.827 -6.136 545 HD12 ILE 71 2HD1 ILE 71 10.789 6.406 -7.702 546 HD13 ILE 71 3HD1 ILE 71 10.621 5.174 -6.452 547 H ASN 72 H ASN 72 13.267 5.585 -2.017 548 HA ASN 72 HA ASN 72 14.196 3.019 -1.627 549 HB2 ASN 72 1HB ASN 72 13.870 5.380 0.183 550 HB3 ASN 72 2HB ASN 72 14.371 3.838 0.870 551 HD21 ASN 72 1HD2 ASN 72 15.749 6.463 0.468 552 HD22 ASN 72 2HD2 ASN 72 17.223 6.062 -0.341 553 H ASN 73 H ASN 73 11.472 4.574 0.067 554 HA ASN 73 HA ASN 73 10.664 2.523 1.688 555 HB2 ASN 73 1HB ASN 73 8.911 4.450 0.148 556 HB3 ASN 73 2HB ASN 73 8.366 3.462 1.501 557 HD21 ASN 73 1HD2 ASN 73 8.108 6.171 1.577 558 HD22 ASN 73 2HD2 ASN 73 9.193 6.832 2.747 559 H ILE 74 H ILE 74 9.197 3.145 -1.506 560 HA ILE 74 HA ILE 74 7.643 0.978 -1.839 561 HB ILE 74 HB ILE 74 9.497 2.150 -3.912 562 HG12 ILE 74 1HG1 ILE 74 6.531 2.578 -3.550 563 HG13 ILE 74 2HG1 ILE 74 7.740 3.617 -2.805 564 HG21 ILE 74 1HG2 ILE 74 7.489 1.144 -5.368 565 HG22 ILE 74 2HG2 ILE 74 8.970 0.252 -5.024 566 HG23 ILE 74 3HG2 ILE 74 7.521 -0.041 -4.063 567 HD11 ILE 74 1HD1 ILE 74 8.496 3.522 -5.458 568 HD12 ILE 74 2HD1 ILE 74 6.734 3.591 -5.512 569 HD13 ILE 74 3HD1 ILE 74 7.640 4.836 -4.651 570 H ASN 75 H ASN 75 11.055 0.971 -2.894 571 HA ASN 75 HA ASN 75 11.351 -1.641 -3.588 572 HB2 ASN 75 1HB ASN 75 13.233 0.298 -2.286 573 HB3 ASN 75 2HB ASN 75 13.748 -1.361 -2.575 574 HD21 ASN 75 1HD2 ASN 75 12.353 1.457 -4.184 575 HD22 ASN 75 2HD2 ASN 75 13.092 1.166 -5.718 576 H ASP 76 H ASP 76 12.039 -0.396 -0.314 577 HA ASP 76 HA ASP 76 12.524 -2.782 0.962 578 HB2 ASP 76 1HB ASP 76 11.344 -0.188 1.896 579 HB3 ASP 76 2HB ASP 76 11.444 -1.555 3.003 580 H PHE 77 H PHE 77 9.367 -1.118 0.876 581 HA PHE 77 HA PHE 77 7.797 -2.950 2.128 582 HB2 PHE 77 1HB PHE 77 6.613 -1.077 1.500 583 HB3 PHE 77 2HB PHE 77 7.298 -1.056 -0.122 584 HD1 PHE 77 1HD PHE 77 5.077 -3.168 2.004 585 HD2 PHE 77 2HD PHE 77 5.943 -1.649 -1.876 586 HE1 PHE 77 1HE PHE 77 3.037 -4.234 1.136 587 HE2 PHE 77 2HE PHE 77 3.904 -2.712 -2.751 588 HZ PHE 77 HZ PHE 77 2.447 -4.006 -1.244 589 H LEU 78 H LEU 78 8.752 -3.021 -1.289 590 HA LEU 78 HA LEU 78 7.308 -5.295 -2.038 591 HB2 LEU 78 1HB LEU 78 9.926 -4.229 -3.081 592 HB3 LEU 78 2HB LEU 78 8.987 -5.500 -3.862 593 HG LEU 78 HG LEU 78 7.863 -2.755 -3.371 594 HD11 LEU 78 1HD1 LEU 78 9.913 -2.513 -4.682 595 HD12 LEU 78 2HD1 LEU 78 8.479 -2.183 -5.654 596 HD13 LEU 78 3HD1 LEU 78 9.325 -3.721 -5.825 597 HD21 LEU 78 1HD2 LEU 78 7.124 -4.580 -5.607 598 HD22 LEU 78 2HD2 LEU 78 6.149 -3.378 -4.762 599 HD23 LEU 78 3HD2 LEU 78 6.514 -4.920 -3.987 600 H LYS 79 H LYS 79 10.655 -4.998 -0.878 601 HA LYS 79 HA LYS 79 11.581 -7.535 -1.063 602 HB2 LYS 79 1HB LYS 79 11.866 -5.784 1.386 603 HB3 LYS 79 2HB LYS 79 12.923 -7.118 0.941 604 HG2 LYS 79 1HG LYS 79 13.448 -5.856 -1.170 605 HG3 LYS 79 2HG LYS 79 12.589 -4.484 -0.467 606 HD2 LYS 79 1HD LYS 79 14.846 -4.108 0.056 607 HD3 LYS 79 2HD LYS 79 14.145 -4.759 1.540 608 HE2 LYS 79 1HE LYS 79 14.927 -7.049 0.571 609 HE3 LYS 79 2HE LYS 79 15.999 -6.056 -0.415 610 HZ1 LYS 79 1HZ LYS 79 17.347 -6.270 1.351 611 HZ2 LYS 79 2HZ LYS 79 16.089 -6.615 2.428 612 HZ3 LYS 79 3HZ LYS 79 16.420 -5.012 1.999 613 H GLY 80 H GLY 80 9.146 -6.367 1.174 614 HA2 GLY 80 1HA GLY 80 9.079 -8.858 2.656 615 HA3 GLY 80 2HA GLY 80 8.033 -7.467 2.901 616 H CYS 81 H CYS 81 7.224 -7.296 0.115 617 HA CYS 81 HA CYS 81 4.946 -8.927 0.201 618 HB2 CYS 81 1HB CYS 81 6.241 -7.422 -2.074 619 HB3 CYS 81 2HB CYS 81 4.702 -8.259 -2.232 620 HG CYS 81 HG CYS 81 5.397 -5.520 -0.319 621 H ALA 82 H ALA 82 7.994 -9.285 -1.567 622 HA ALA 82 HA ALA 82 7.480 -11.412 -3.193 623 HB1 ALA 82 1HB ALA 82 9.639 -11.021 -3.549 624 HB2 ALA 82 2HB ALA 82 9.829 -10.267 -1.965 625 HB3 ALA 82 3HB ALA 82 9.980 -12.017 -2.133 626 H THR 83 H THR 83 7.867 -11.444 0.288 627 HA THR 83 HA THR 83 8.238 -14.173 0.719 628 HB THR 83 HB THR 83 6.895 -12.067 2.407 629 HG1 THR 83 1HG THR 83 9.428 -13.347 2.374 630 HG21 THR 83 1HG2 THR 83 7.285 -13.851 4.255 631 HG22 THR 83 2HG2 THR 83 7.233 -15.000 2.918 632 HG23 THR 83 3HG2 THR 83 5.845 -13.963 3.244 633 H LEU 84 H LEU 84 5.264 -12.316 0.266 634 HA LEU 84 HA LEU 84 3.546 -14.566 0.727 635 HB2 LEU 84 1HB LEU 84 3.040 -11.844 -0.457 636 HB3 LEU 84 2HB LEU 84 1.780 -13.044 -0.177 637 HG LEU 84 HG LEU 84 3.480 -12.165 2.113 638 HD11 LEU 84 1HD1 LEU 84 2.515 -10.141 2.376 639 HD12 LEU 84 2HD1 LEU 84 1.001 -10.640 1.623 640 HD13 LEU 84 3HD1 LEU 84 2.391 -10.227 0.619 641 HD21 LEU 84 1HD2 LEU 84 1.979 -13.948 2.564 642 HD22 LEU 84 2HD2 LEU 84 0.649 -13.123 1.750 643 HD23 LEU 84 3HD2 LEU 84 1.275 -12.496 3.276 644 H GLN 85 H GLN 85 5.512 -13.678 -1.816 645 HA GLN 85 HA GLN 85 5.722 -14.349 -3.980 646 HB2 GLN 85 1HB GLN 85 3.818 -16.551 -3.171 647 HB3 GLN 85 2HB GLN 85 4.918 -16.568 -4.543 648 HG2 GLN 85 1HG GLN 85 5.894 -16.304 -1.720 649 HG3 GLN 85 2HG GLN 85 5.604 -17.870 -2.476 650 HE21 GLN 85 1HE2 GLN 85 7.672 -18.576 -2.571 651 HE22 GLN 85 2HE2 GLN 85 8.910 -17.822 -3.510 652 H VAL 86 H VAL 86 3.728 -12.394 -3.414 653 HA VAL 86 HA VAL 86 1.567 -13.057 -5.285 654 HB VAL 86 HB VAL 86 0.440 -11.045 -4.449 655 HG11 VAL 86 1HG1 VAL 86 -0.103 -11.863 -2.245 656 HG12 VAL 86 2HG1 VAL 86 0.122 -13.232 -3.335 657 HG13 VAL 86 3HG1 VAL 86 1.390 -12.800 -2.187 658 HG21 VAL 86 1HG2 VAL 86 2.975 -10.735 -2.874 659 HG22 VAL 86 2HG2 VAL 86 2.155 -9.553 -3.893 660 HG23 VAL 86 3HG2 VAL 86 1.460 -10.008 -2.337 661 H GLU 87 H GLU 87 0.881 -11.339 -6.802 662 HA GLU 87 HA GLU 87 2.859 -10.622 -8.575 663 HB2 GLU 87 1HB GLU 87 1.223 -9.032 -9.537 664 HB3 GLU 87 2HB GLU 87 0.525 -10.612 -9.211 665 HG2 GLU 87 1HG GLU 87 -0.143 -9.470 -6.935 666 HG3 GLU 87 2HG GLU 87 0.011 -8.001 -7.897 667 H ILE 88 H ILE 88 4.090 -8.815 -8.967 668 HA ILE 88 HA ILE 88 4.098 -6.760 -6.853 669 HB ILE 88 HB ILE 88 6.545 -6.543 -7.206 670 HG12 ILE 88 1HG1 ILE 88 6.565 -9.218 -8.538 671 HG13 ILE 88 2HG1 ILE 88 6.262 -7.790 -9.522 672 HG21 ILE 88 1HG2 ILE 88 7.017 -8.961 -6.233 673 HG22 ILE 88 2HG2 ILE 88 6.172 -7.729 -5.297 674 HG23 ILE 88 3HG2 ILE 88 5.257 -8.989 -6.124 675 HD11 ILE 88 1HD1 ILE 88 8.509 -7.881 -9.724 676 HD12 ILE 88 2HD1 ILE 88 8.426 -6.941 -8.234 677 HD13 ILE 88 3HD1 ILE 88 8.731 -8.676 -8.166 678 H PHE 89 H PHE 89 5.634 -4.859 -7.731 679 HA PHE 89 HA PHE 89 5.186 -4.301 -10.540 680 HB2 PHE 89 1HB PHE 89 4.040 -2.144 -10.068 681 HB3 PHE 89 2HB PHE 89 3.082 -3.548 -9.607 682 HD1 PHE 89 2HD PHE 89 2.692 -4.075 -7.268 683 HD2 PHE 89 1HD PHE 89 4.918 -0.634 -8.417 684 HE1 PHE 89 2HE PHE 89 2.447 -3.162 -4.996 685 HE2 PHE 89 1HE PHE 89 4.678 0.284 -6.147 686 HZ PHE 89 HZ PHE 89 3.440 -0.980 -4.433 687 H ASP 90 H ASP 90 6.149 -2.159 -11.157 688 HA ASP 90 HA ASP 90 8.725 -1.902 -9.859 689 HB2 ASP 90 1HB ASP 90 7.522 -0.798 -12.384 690 HB3 ASP 90 2HB ASP 90 9.041 -0.167 -11.756 691 HA PRO 91 HA PRO 91 7.889 1.674 -7.456 692 HB2 PRO 91 1HB PRO 91 10.291 2.935 -7.553 693 HB3 PRO 91 2HB PRO 91 10.018 1.459 -6.621 694 HG2 PRO 91 1HG PRO 91 11.255 1.788 -9.327 695 HG3 PRO 91 2HG PRO 91 11.775 0.763 -7.977 696 HD2 PRO 91 1HD PRO 91 10.397 -0.207 -10.096 697 HD3 PRO 91 2HD PRO 91 10.227 -0.875 -8.460 698 H ASP 92 H ASP 92 8.702 1.900 -10.764 699 HA ASP 92 HA ASP 92 8.489 4.780 -10.925 700 HB2 ASP 92 1HB ASP 92 8.602 2.704 -13.123 701 HB3 ASP 92 2HB ASP 92 8.740 4.446 -13.346 702 H ASP 93 H ASP 93 6.530 1.966 -11.804 703 HA ASP 93 HA ASP 93 4.426 3.342 -13.044 704 HB2 ASP 93 1HB ASP 93 3.081 1.311 -12.557 705 HB3 ASP 93 2HB ASP 93 4.650 0.938 -13.265 706 H LEU 94 H LEU 94 4.919 2.418 -9.659 707 HA LEU 94 HA LEU 94 2.417 3.422 -8.752 708 HB2 LEU 94 1HB LEU 94 3.310 1.860 -7.319 709 HB3 LEU 94 2HB LEU 94 4.943 2.506 -7.464 710 HG LEU 94 HG LEU 94 4.449 4.292 -5.958 711 HD11 LEU 94 1HD1 LEU 94 1.928 4.226 -6.894 712 HD12 LEU 94 2HD1 LEU 94 2.399 5.041 -5.403 713 HD13 LEU 94 3HD1 LEU 94 1.703 3.422 -5.341 714 HD21 LEU 94 1HD2 LEU 94 3.382 1.651 -4.973 715 HD22 LEU 94 2HD2 LEU 94 3.754 3.022 -3.928 716 HD23 LEU 94 3HD2 LEU 94 5.038 2.248 -4.859 717 H TYR 95 H TYR 95 5.739 4.686 -8.504 718 HA TYR 95 HA TYR 95 5.084 7.106 -7.261 719 HB2 TYR 95 1HB TYR 95 7.390 6.106 -7.524 720 HB3 TYR 95 2HB TYR 95 7.378 6.693 -9.183 721 HD1 TYR 95 1HD TYR 95 7.288 9.152 -9.613 722 HD2 TYR 95 2HD TYR 95 7.854 7.562 -5.708 723 HE1 TYR 95 1HE TYR 95 8.124 11.337 -8.851 724 HE2 TYR 95 2HE TYR 95 8.690 9.743 -4.935 725 HH TYR 95 HH TYR 95 9.610 12.200 -7.016 726 H SER 96 H SER 96 6.026 6.700 -10.678 727 HA SER 96 HA SER 96 5.135 9.229 -11.496 728 HB2 SER 96 1HB SER 96 5.552 6.685 -13.081 729 HB3 SER 96 2HB SER 96 5.235 8.259 -13.811 730 HG SER 96 HG SER 96 7.227 8.822 -13.434 731 H GLY 97 H GLY 97 3.529 6.074 -11.513 732 HA2 GLY 97 1HA GLY 97 1.201 5.792 -11.201 733 HA3 GLY 97 2HA GLY 97 0.956 7.457 -11.707 734 H VAL 98 H VAL 98 2.953 5.200 -13.487 735 HA VAL 98 HA VAL 98 1.490 5.666 -15.892 736 HB VAL 98 HB VAL 98 3.634 3.614 -15.323 737 HG11 VAL 98 1HG1 VAL 98 3.056 4.682 -18.041 738 HG12 VAL 98 2HG1 VAL 98 3.733 3.125 -17.559 739 HG13 VAL 98 3HG1 VAL 98 2.004 3.429 -17.383 740 HG21 VAL 98 1HG2 VAL 98 3.956 6.282 -15.194 741 HG22 VAL 98 2HG2 VAL 98 5.215 5.174 -15.741 742 HG23 VAL 98 3HG2 VAL 98 4.216 6.025 -16.920 743 H ASN 99 H ASN 99 1.967 2.776 -13.861 744 HA ASN 99 HA ASN 99 -0.549 1.711 -14.962 745 HB2 ASN 99 1HB ASN 99 1.695 0.582 -15.679 746 HB3 ASN 99 2HB ASN 99 1.660 -0.109 -14.059 747 HD21 ASN 99 1HD2 ASN 99 1.090 -0.911 -17.061 748 HD22 ASN 99 2HD2 ASN 99 -0.267 -1.967 -16.889 749 H PHE 100 H PHE 100 -1.722 2.499 -13.193 750 HA PHE 100 HA PHE 100 -0.968 1.810 -10.501 751 HB2 PHE 100 1HB PHE 100 -2.255 3.899 -11.226 752 HB3 PHE 100 2HB PHE 100 -3.659 2.847 -11.382 753 HD1 PHE 100 2HD PHE 100 -0.969 3.573 -8.896 754 HD2 PHE 100 1HD PHE 100 -5.088 2.763 -9.598 755 HE1 PHE 100 2HE PHE 100 -1.427 3.839 -6.493 756 HE2 PHE 100 1HE PHE 100 -5.553 3.028 -7.196 757 HZ PHE 100 HZ PHE 100 -3.721 3.566 -5.640 758 H SER 101 H SER 101 -3.411 0.750 -12.832 759 HA SER 101 HA SER 101 -5.023 -0.884 -11.431 760 HB2 SER 101 1HB SER 101 -5.365 -2.182 -13.395 761 HB3 SER 101 2HB SER 101 -4.936 -0.567 -13.958 762 HG SER 101 HG SER 101 -3.429 -2.934 -14.006 763 H LYS 102 H LYS 102 -1.661 -1.524 -12.218 764 HA LYS 102 HA LYS 102 -1.691 -4.210 -11.206 765 HB2 LYS 102 1HB LYS 102 0.369 -2.340 -12.269 766 HB3 LYS 102 2HB LYS 102 0.918 -3.674 -11.263 767 HG2 LYS 102 1HG LYS 102 -0.495 -5.148 -12.839 768 HG3 LYS 102 2HG LYS 102 -0.443 -3.756 -13.924 769 HD2 LYS 102 1HD LYS 102 1.390 -5.017 -14.599 770 HD3 LYS 102 2HD LYS 102 2.108 -3.823 -13.514 771 HE2 LYS 102 1HE LYS 102 3.086 -5.790 -12.795 772 HE3 LYS 102 2HE LYS 102 1.723 -5.626 -11.689 773 HZ1 LYS 102 1HZ LYS 102 0.714 -7.017 -13.811 774 HZ2 LYS 102 2HZ LYS 102 1.168 -7.668 -12.318 775 HZ3 LYS 102 3HZ LYS 102 2.262 -7.670 -13.608 776 H VAL 103 H VAL 103 -0.181 -1.182 -10.073 777 HA VAL 103 HA VAL 103 0.852 -2.030 -7.682 778 HB VAL 103 HB VAL 103 -0.516 0.617 -8.184 779 HG11 VAL 103 1HG1 VAL 103 0.730 1.486 -6.346 780 HG12 VAL 103 2HG1 VAL 103 -0.103 0.036 -5.782 781 HG13 VAL 103 3HG1 VAL 103 1.619 -0.026 -6.159 782 HG21 VAL 103 1HG2 VAL 103 1.295 0.008 -9.789 783 HG22 VAL 103 2HG2 VAL 103 1.633 1.452 -8.836 784 HG23 VAL 103 3HG2 VAL 103 2.408 -0.078 -8.424 785 H LEU 104 H LEU 104 -2.493 -1.190 -8.411 786 HA LEU 104 HA LEU 104 -3.438 -1.297 -5.741 787 HB2 LEU 104 1HB LEU 104 -4.605 -0.179 -7.625 788 HB3 LEU 104 2HB LEU 104 -4.977 -1.768 -8.290 789 HG LEU 104 HG LEU 104 -6.324 -2.267 -6.291 790 HD11 LEU 104 1HD1 LEU 104 -5.135 -0.825 -4.710 791 HD12 LEU 104 2HD1 LEU 104 -6.869 -0.502 -4.711 792 HD13 LEU 104 3HD1 LEU 104 -5.767 0.599 -5.538 793 HD21 LEU 104 1HD2 LEU 104 -8.196 -1.136 -7.018 794 HD22 LEU 104 2HD2 LEU 104 -7.142 -1.022 -8.427 795 HD23 LEU 104 3HD2 LEU 104 -7.306 0.354 -7.334 796 H SER 105 H SER 105 -3.693 -3.635 -8.421 797 HA SER 105 HA SER 105 -4.966 -5.685 -7.087 798 HB2 SER 105 1HB SER 105 -2.750 -6.251 -9.043 799 HB3 SER 105 2HB SER 105 -4.274 -7.110 -8.824 800 HG SER 105 HG SER 105 -4.355 -5.805 -10.674 801 H THR 106 H THR 106 -1.465 -5.121 -7.347 802 HA THR 106 HA THR 106 -0.484 -7.293 -6.001 803 HB THR 106 HB THR 106 0.473 -4.435 -5.988 804 HG1 THR 106 1HG THR 106 1.581 -6.775 -7.176 805 HG21 THR 106 1HG2 THR 106 1.288 -6.600 -4.248 806 HG22 THR 106 2HG2 THR 106 1.778 -4.906 -4.238 807 HG23 THR 106 3HG2 THR 106 2.618 -6.061 -5.272 808 H LEU 107 H LEU 107 -1.787 -4.315 -4.594 809 HA LEU 107 HA LEU 107 -1.260 -5.088 -1.895 810 HB2 LEU 107 1HB LEU 107 -2.911 -2.940 -3.177 811 HB3 LEU 107 2HB LEU 107 -2.966 -3.213 -1.437 812 HG LEU 107 HG LEU 107 -0.415 -2.617 -2.922 813 HD11 LEU 107 1HD1 LEU 107 -0.643 -0.319 -2.277 814 HD12 LEU 107 2HD1 LEU 107 -2.161 -0.655 -1.446 815 HD13 LEU 107 3HD1 LEU 107 -2.070 -0.787 -3.202 816 HD21 LEU 107 1HD2 LEU 107 -0.751 -3.635 -0.446 817 HD22 LEU 107 2HD2 LEU 107 -0.801 -1.908 -0.090 818 HD23 LEU 107 3HD2 LEU 107 0.599 -2.599 -0.910 819 H LEU 108 H LEU 108 -3.998 -5.365 -4.079 820 HA LEU 108 HA LEU 108 -5.989 -6.061 -2.259 821 HB2 LEU 108 1HB LEU 108 -5.508 -6.600 -5.147 822 HB3 LEU 108 2HB LEU 108 -6.793 -7.486 -4.328 823 HG LEU 108 HG LEU 108 -6.621 -4.477 -4.405 824 HD11 LEU 108 1HD1 LEU 108 -6.916 -5.764 -6.647 825 HD12 LEU 108 2HD1 LEU 108 -7.983 -4.414 -6.261 826 HD13 LEU 108 3HD1 LEU 108 -8.544 -6.072 -6.040 827 HD21 LEU 108 1HD2 LEU 108 -9.156 -5.943 -4.005 828 HD22 LEU 108 2HD2 LEU 108 -8.585 -4.438 -3.282 829 HD23 LEU 108 3HD2 LEU 108 -7.999 -5.987 -2.674 830 H ALA 109 H ALA 109 -3.567 -8.074 -3.869 831 HA ALA 109 HA ALA 109 -4.516 -10.563 -2.946 832 HB1 ALA 109 1HB ALA 109 -1.718 -10.737 -3.229 833 HB2 ALA 109 2HB ALA 109 -2.960 -11.223 -4.383 834 HB3 ALA 109 3HB ALA 109 -2.286 -9.595 -4.447 835 H VAL 110 H VAL 110 -1.859 -8.517 -1.730 836 HA VAL 110 HA VAL 110 -1.038 -10.003 0.418 837 HB VAL 110 HB VAL 110 -1.339 -6.997 0.361 838 HG11 VAL 110 1HG1 VAL 110 0.716 -8.476 1.949 839 HG12 VAL 110 2HG1 VAL 110 0.066 -6.853 2.189 840 HG13 VAL 110 3HG1 VAL 110 -0.911 -8.264 2.595 841 HG21 VAL 110 1HG2 VAL 110 0.981 -8.757 -0.428 842 HG22 VAL 110 2HG2 VAL 110 -0.042 -7.830 -1.526 843 HG23 VAL 110 3HG2 VAL 110 1.000 -6.994 -0.375 844 H ASN 111 H ASN 111 -3.690 -7.632 0.383 845 HA ASN 111 HA ASN 111 -4.430 -7.847 3.062 846 HB2 ASN 111 1HB ASN 111 -5.481 -6.075 2.038 847 HB3 ASN 111 2HB ASN 111 -5.805 -6.981 0.563 848 HD21 ASN 111 1HD2 ASN 111 -7.018 -5.924 3.549 849 HD22 ASN 111 2HD2 ASN 111 -8.553 -6.713 3.476 850 H LYS 112 H LYS 112 -5.273 -9.829 0.285 851 HA LYS 112 HA LYS 112 -7.294 -11.345 1.595 852 HB2 LYS 112 1HB LYS 112 -7.086 -11.134 -0.876 853 HB3 LYS 112 2HB LYS 112 -5.625 -12.109 -0.807 854 HG2 LYS 112 1HG LYS 112 -8.113 -13.215 0.382 855 HG3 LYS 112 2HG LYS 112 -7.964 -13.167 -1.376 856 HD2 LYS 112 1HD LYS 112 -5.775 -14.298 0.334 857 HD3 LYS 112 2HD LYS 112 -7.167 -15.279 -0.129 858 HE2 LYS 112 1HE LYS 112 -6.638 -14.542 -2.528 859 HE3 LYS 112 2HE LYS 112 -5.079 -14.025 -1.886 860 HZ1 LYS 112 1HZ LYS 112 -4.939 -16.382 -0.962 861 HZ2 LYS 112 2HZ LYS 112 -4.712 -16.182 -2.626 862 HZ3 LYS 112 3HZ LYS 112 -6.190 -16.758 -2.038 863 H ALA 113 H ALA 113 -3.966 -12.211 0.640 864 HA ALA 113 HA ALA 113 -3.796 -14.683 1.832 865 HB1 ALA 113 1HB ALA 113 -2.011 -14.029 0.457 866 HB2 ALA 113 2HB ALA 113 -1.711 -12.566 1.396 867 HB3 ALA 113 3HB ALA 113 -1.318 -14.146 2.075 868 H THR 114 H THR 114 -3.404 -11.509 3.318 869 HA THR 114 HA THR 114 -2.597 -12.552 5.865 870 HB THR 114 HB THR 114 -3.007 -10.208 6.669 871 HG1 THR 114 1HG THR 114 -4.251 -9.029 5.438 872 HG21 THR 114 1HG2 THR 114 -0.800 -10.752 5.954 873 HG22 THR 114 2HG2 THR 114 -1.200 -9.194 5.231 874 HG23 THR 114 3HG2 THR 114 -1.260 -10.661 4.255 875 H GLU 115 H GLU 115 -5.621 -11.586 4.374 876 HA GLU 115 HA GLU 115 -7.142 -11.627 6.796 877 HB2 GLU 115 1HB GLU 115 -8.007 -10.280 5.052 878 HB3 GLU 115 2HB GLU 115 -7.884 -11.583 3.878 879 HG2 GLU 115 1HG GLU 115 -10.164 -11.389 4.360 880 HG3 GLU 115 2HG GLU 115 -9.617 -12.806 5.254 881 H SER 116 H SER 116 -6.910 -13.572 7.834 882 HA SER 116 HA SER 116 -6.843 -16.106 6.768 883 HB2 SER 116 1HB SER 116 -6.393 -15.767 9.108 884 HB3 SER 116 2HB SER 116 -8.029 -15.170 9.389 885 HG SER 116 HG SER 116 -7.304 -17.802 8.609 886 H GLY 117 H GLY 117 -8.211 -17.106 5.456 887 HA2 GLY 117 1HA GLY 117 -10.886 -16.249 5.039 888 HA3 GLY 117 2HA GLY 117 -10.156 -17.710 4.390 889 HA PRO 118 HA PRO 118 -13.097 -18.439 8.142 890 HB2 PRO 118 1HB PRO 118 -15.510 -18.627 6.910 891 HB3 PRO 118 2HB PRO 118 -14.892 -17.116 7.588 892 HG2 PRO 118 1HG PRO 118 -14.881 -18.062 4.748 893 HG3 PRO 118 2HG PRO 118 -15.262 -16.454 5.389 894 HD2 PRO 118 1HD PRO 118 -12.860 -17.054 4.291 895 HD3 PRO 118 2HD PRO 118 -13.041 -15.878 5.609 896 H SER 119 H SER 119 -13.151 -20.527 8.675 897 HA SER 119 HA SER 119 -12.485 -22.601 6.958 898 HB2 SER 119 1HB SER 119 -13.664 -22.442 9.690 899 HB3 SER 119 2HB SER 119 -13.738 -23.996 8.860 900 HG SER 119 HG SER 119 -11.816 -23.684 10.132 901 H SER 120 H SER 120 -13.566 -23.370 5.280 902 HA SER 120 HA SER 120 -16.393 -22.969 4.978 903 HB2 SER 120 1HB SER 120 -16.118 -24.041 2.809 904 HB3 SER 120 2HB SER 120 -14.817 -22.878 3.059 905 HG SER 120 HG SER 120 -13.845 -24.708 2.336 906 H GLY 121 H GLY 121 -17.879 -24.213 5.892 907 HA2 GLY 121 1HA GLY 121 -17.181 -26.971 6.617 908 HA3 GLY 121 2HA GLY 121 -18.524 -26.045 7.270 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -22.558 -15.151 -3.875 2 HA2 GLY 1 1HA GLY 1 -20.047 -16.292 -4.631 3 HA3 GLY 1 2HA GLY 1 -21.003 -15.842 -6.036 4 H SER 2 H SER 2 -18.780 -14.560 -6.024 5 HA SER 2 HA SER 2 -19.508 -11.836 -5.323 6 HB2 SER 2 1HB SER 2 -16.929 -13.082 -4.339 7 HB3 SER 2 2HB SER 2 -17.374 -11.382 -4.186 8 HG SER 2 HG SER 2 -19.259 -12.191 -2.996 9 H SER 3 H SER 3 -18.267 -10.242 -6.439 10 HA SER 3 HA SER 3 -16.634 -11.294 -8.651 11 HB2 SER 3 1HB SER 3 -18.988 -9.452 -8.747 12 HB3 SER 3 2HB SER 3 -17.683 -9.221 -9.911 13 HG SER 3 HG SER 3 -18.232 -11.012 -10.894 14 H GLY 4 H GLY 4 -17.613 -8.175 -7.207 15 HA2 GLY 4 1HA GLY 4 -15.637 -7.137 -5.935 16 HA3 GLY 4 2HA GLY 4 -14.819 -7.283 -7.484 17 H SER 5 H SER 5 -17.147 -5.524 -5.622 18 HA SER 5 HA SER 5 -18.224 -3.932 -7.696 19 HB2 SER 5 1HB SER 5 -19.250 -4.177 -5.440 20 HB3 SER 5 2HB SER 5 -17.932 -3.218 -4.768 21 HG SER 5 HG SER 5 -18.725 -1.697 -6.603 22 H SER 6 H SER 6 -15.777 -3.119 -5.229 23 HA SER 6 HA SER 6 -14.234 -1.635 -7.162 24 HB2 SER 6 1HB SER 6 -15.586 -0.198 -4.866 25 HB3 SER 6 2HB SER 6 -14.320 0.496 -5.878 26 HG SER 6 HG SER 6 -15.891 -0.181 -7.656 27 H GLY 7 H GLY 7 -12.180 -2.056 -6.719 28 HA2 GLY 7 1HA GLY 7 -11.430 -3.172 -4.164 29 HA3 GLY 7 2HA GLY 7 -10.380 -2.945 -5.555 30 H GLU 8 H GLU 8 -10.687 -0.206 -5.964 31 HA GLU 8 HA GLU 8 -8.737 0.937 -4.479 32 HB2 GLU 8 1HB GLU 8 -11.215 2.352 -5.478 33 HB3 GLU 8 2HB GLU 8 -9.705 3.133 -5.031 34 HG2 GLU 8 1HG GLU 8 -9.905 1.071 -7.206 35 HG3 GLU 8 2HG GLU 8 -10.089 2.801 -7.489 36 H GLU 9 H GLU 9 -12.203 1.029 -3.688 37 HA GLU 9 HA GLU 9 -11.873 2.466 -1.266 38 HB2 GLU 9 1HB GLU 9 -14.005 2.188 -2.641 39 HB3 GLU 9 2HB GLU 9 -14.158 0.605 -1.892 40 HG2 GLU 9 1HG GLU 9 -15.500 1.982 -0.591 41 HG3 GLU 9 2HG GLU 9 -14.008 1.839 0.336 42 H GLN 10 H GLN 10 -11.909 -0.951 -2.075 43 HA GLN 10 HA GLN 10 -12.129 -1.984 0.529 44 HB2 GLN 10 1HB GLN 10 -11.094 -3.041 -2.070 45 HB3 GLN 10 2HB GLN 10 -10.807 -3.959 -0.598 46 HG2 GLN 10 1HG GLN 10 -13.388 -3.611 -0.264 47 HG3 GLN 10 2HG GLN 10 -13.356 -3.387 -2.013 48 HE21 GLN 10 1HE2 GLN 10 -12.740 -5.111 -3.336 49 HE22 GLN 10 2HE2 GLN 10 -12.747 -6.742 -2.767 50 H ILE 11 H ILE 11 -9.316 -1.048 -1.398 51 HA ILE 11 HA ILE 11 -7.396 -1.921 0.521 52 HB ILE 11 HB ILE 11 -7.027 0.122 -1.671 53 HG12 ILE 11 1HG1 ILE 11 -7.764 -1.794 -2.805 54 HG13 ILE 11 2HG1 ILE 11 -6.011 -1.939 -2.851 55 HG21 ILE 11 1HG2 ILE 11 -4.829 -1.641 -0.787 56 HG22 ILE 11 2HG2 ILE 11 -4.799 0.049 -1.287 57 HG23 ILE 11 3HG2 ILE 11 -5.328 -0.379 0.340 58 HD11 ILE 11 1HD1 ILE 11 -6.336 -3.355 -0.703 59 HD12 ILE 11 2HD1 ILE 11 -7.999 -3.502 -1.275 60 HD13 ILE 11 3HD1 ILE 11 -6.666 -4.065 -2.283 61 H VAL 12 H VAL 12 -8.747 1.254 -0.327 62 HA VAL 12 HA VAL 12 -7.267 2.825 1.424 63 HB VAL 12 HB VAL 12 -10.098 3.169 0.442 64 HG11 VAL 12 1HG1 VAL 12 -10.239 4.589 2.207 65 HG12 VAL 12 2HG1 VAL 12 -8.490 4.795 2.324 66 HG13 VAL 12 3HG1 VAL 12 -9.402 5.662 1.086 67 HG21 VAL 12 1HG2 VAL 12 -7.844 4.903 -0.399 68 HG22 VAL 12 2HG2 VAL 12 -7.877 3.253 -1.021 69 HG23 VAL 12 3HG2 VAL 12 -9.239 4.334 -1.316 70 H THR 13 H THR 13 -10.495 1.409 1.966 71 HA THR 13 HA THR 13 -10.667 2.205 4.673 72 HB THR 13 HB THR 13 -12.104 -0.115 3.373 73 HG1 THR 13 1HG THR 13 -12.238 2.153 2.412 74 HG21 THR 13 1HG2 THR 13 -12.158 0.154 5.904 75 HG22 THR 13 2HG2 THR 13 -13.719 0.103 5.084 76 HG23 THR 13 3HG2 THR 13 -13.054 1.646 5.621 77 H TRP 14 H TRP 14 -9.659 -0.819 3.126 78 HA TRP 14 HA TRP 14 -9.344 -2.380 5.410 79 HB2 TRP 14 1HB TRP 14 -9.204 -3.511 3.353 80 HB3 TRP 14 2HB TRP 14 -7.989 -2.401 2.724 81 HD1 TRP 14 HD TRP 14 -8.006 -4.626 5.917 82 HE1 TRP 14 1HE TRP 14 -5.816 -5.978 5.940 83 HE3 TRP 14 3HE TRP 14 -5.996 -2.992 1.510 84 HZ2 TRP 14 2HZ TRP 14 -3.538 -6.308 4.307 85 HZ3 TRP 14 3HZ TRP 14 -3.807 -3.874 0.813 86 HH2 TRP 14 HH TRP 14 -2.605 -5.498 2.184 87 H LEU 15 H LEU 15 -6.756 -0.659 3.650 88 HA LEU 15 HA LEU 15 -4.670 -1.060 5.359 89 HB2 LEU 15 1HB LEU 15 -5.391 1.409 3.798 90 HB3 LEU 15 2HB LEU 15 -3.852 1.212 4.632 91 HG LEU 15 HG LEU 15 -4.800 -0.685 2.496 92 HD11 LEU 15 1HD1 LEU 15 -4.686 1.523 1.509 93 HD12 LEU 15 2HD1 LEU 15 -3.329 0.542 0.958 94 HD13 LEU 15 3HD1 LEU 15 -3.081 1.774 2.196 95 HD21 LEU 15 1HD2 LEU 15 -3.008 -1.367 4.133 96 HD22 LEU 15 2HD2 LEU 15 -2.010 -0.082 3.452 97 HD23 LEU 15 3HD2 LEU 15 -2.548 -1.417 2.432 98 H ILE 16 H ILE 16 -6.794 1.807 5.495 99 HA ILE 16 HA ILE 16 -5.839 2.913 7.832 100 HB ILE 16 HB ILE 16 -8.723 2.887 6.932 101 HG12 ILE 16 1HG1 ILE 16 -6.617 4.980 6.378 102 HG13 ILE 16 2HG1 ILE 16 -6.998 3.682 5.251 103 HG21 ILE 16 1HG2 ILE 16 -7.313 4.195 9.135 104 HG22 ILE 16 2HG2 ILE 16 -8.271 5.291 8.140 105 HG23 ILE 16 3HG2 ILE 16 -9.036 3.899 8.905 106 HD11 ILE 16 1HD1 ILE 16 -8.132 5.745 4.654 107 HD12 ILE 16 2HD1 ILE 16 -9.291 4.489 5.094 108 HD13 ILE 16 3HD1 ILE 16 -8.916 5.782 6.233 109 H SER 17 H SER 17 -8.377 0.460 7.460 110 HA SER 17 HA SER 17 -9.219 0.235 10.076 111 HB2 SER 17 1HB SER 17 -9.979 -1.018 7.901 112 HB3 SER 17 2HB SER 17 -8.832 -2.246 8.435 113 HG SER 17 HG SER 17 -10.705 -1.229 10.259 114 H LEU 18 H LEU 18 -6.380 -1.191 8.542 115 HA LEU 18 HA LEU 18 -5.610 -2.786 10.760 116 HB2 LEU 18 1HB LEU 18 -4.142 -1.759 8.349 117 HB3 LEU 18 2HB LEU 18 -3.347 -2.733 9.584 118 HG LEU 18 HG LEU 18 -5.739 -3.653 7.997 119 HD11 LEU 18 1HD1 LEU 18 -3.697 -3.209 6.609 120 HD12 LEU 18 2HD1 LEU 18 -4.265 -4.878 6.596 121 HD13 LEU 18 3HD1 LEU 18 -2.864 -4.431 7.569 122 HD21 LEU 18 1HD2 LEU 18 -4.477 -5.873 8.831 123 HD22 LEU 18 2HD2 LEU 18 -5.771 -5.090 9.739 124 HD23 LEU 18 3HD2 LEU 18 -4.085 -4.784 10.163 125 H GLY 19 H GLY 19 -4.759 0.474 9.687 126 HA2 GLY 19 1HA GLY 19 -4.375 2.137 11.442 127 HA3 GLY 19 2HA GLY 19 -3.495 0.897 12.323 128 H VAL 20 H VAL 20 -3.214 1.515 8.871 129 HA VAL 20 HA VAL 20 -0.443 2.411 9.338 130 HB VAL 20 HB VAL 20 0.006 1.505 7.014 131 HG11 VAL 20 1HG1 VAL 20 0.961 -0.146 8.148 132 HG12 VAL 20 2HG1 VAL 20 -0.074 0.220 9.529 133 HG13 VAL 20 3HG1 VAL 20 -0.596 -0.955 8.322 134 HG21 VAL 20 1HG2 VAL 20 -2.199 1.290 6.146 135 HG22 VAL 20 2HG2 VAL 20 -1.548 -0.341 6.312 136 HG23 VAL 20 3HG2 VAL 20 -2.700 0.274 7.498 137 H LEU 21 H LEU 21 -3.360 2.816 7.411 138 HA LEU 21 HA LEU 21 -2.217 5.236 6.200 139 HB2 LEU 21 1HB LEU 21 -3.061 3.720 4.567 140 HB3 LEU 21 2HB LEU 21 -4.574 3.523 5.449 141 HG LEU 21 HG LEU 21 -5.041 5.955 4.952 142 HD11 LEU 21 1HD1 LEU 21 -3.362 6.010 2.605 143 HD12 LEU 21 2HD1 LEU 21 -2.402 5.928 4.081 144 HD13 LEU 21 3HD1 LEU 21 -3.578 7.224 3.866 145 HD21 LEU 21 1HD2 LEU 21 -5.172 5.195 2.313 146 HD22 LEU 21 2HD2 LEU 21 -6.378 4.844 3.551 147 HD23 LEU 21 3HD2 LEU 21 -5.133 3.654 3.169 148 H GLU 22 H GLU 22 -3.024 7.216 6.623 149 HA GLU 22 HA GLU 22 -4.474 7.734 8.925 150 HB2 GLU 22 1HB GLU 22 -4.800 10.020 7.995 151 HB3 GLU 22 2HB GLU 22 -3.137 9.455 7.903 152 HG2 GLU 22 1HG GLU 22 -3.754 8.728 5.509 153 HG3 GLU 22 2HG GLU 22 -5.130 9.812 5.704 154 H SER 23 H SER 23 -6.611 8.648 9.205 155 HA SER 23 HA SER 23 -8.550 7.445 7.347 156 HB2 SER 23 1HB SER 23 -10.118 7.397 9.212 157 HB3 SER 23 2HB SER 23 -8.612 6.608 9.683 158 HG SER 23 HG SER 23 -9.415 9.255 10.324 159 HA PRO 24 HA PRO 24 -8.997 11.986 6.669 160 HB2 PRO 24 1HB PRO 24 -9.476 11.757 4.007 161 HB3 PRO 24 2HB PRO 24 -7.846 11.826 4.687 162 HG2 PRO 24 1HG PRO 24 -9.432 9.444 3.807 163 HG3 PRO 24 2HG PRO 24 -7.719 9.811 3.533 164 HD2 PRO 24 1HD PRO 24 -8.551 8.096 5.455 165 HD3 PRO 24 2HD PRO 24 -7.100 9.103 5.637 166 H LYS 25 H LYS 25 -10.965 11.566 7.979 167 HA LYS 25 HA LYS 25 -13.354 10.742 6.583 168 HB2 LYS 25 1HB LYS 25 -14.489 11.229 8.719 169 HB3 LYS 25 2HB LYS 25 -13.106 10.164 8.929 170 HG2 LYS 25 1HG LYS 25 -11.863 11.765 10.017 171 HG3 LYS 25 2HG LYS 25 -12.762 13.103 9.298 172 HD2 LYS 25 1HD LYS 25 -13.610 13.145 11.425 173 HD3 LYS 25 2HD LYS 25 -14.758 12.044 10.659 174 HE2 LYS 25 1HE LYS 25 -13.649 10.139 11.565 175 HE3 LYS 25 2HE LYS 25 -12.293 11.119 12.122 176 HZ1 LYS 25 1HZ LYS 25 -13.437 10.979 14.049 177 HZ2 LYS 25 2HZ LYS 25 -14.937 10.766 13.297 178 HZ3 LYS 25 3HZ LYS 25 -14.259 12.312 13.410 179 H LYS 26 H LYS 26 -12.127 12.943 5.355 180 HA LYS 26 HA LYS 26 -13.982 15.144 5.981 181 HB2 LYS 26 1HB LYS 26 -11.321 15.237 4.547 182 HB3 LYS 26 2HB LYS 26 -12.369 16.620 4.834 183 HG2 LYS 26 1HG LYS 26 -12.037 16.475 7.191 184 HG3 LYS 26 2HG LYS 26 -11.189 14.936 7.031 185 HD2 LYS 26 1HD LYS 26 -10.198 17.452 5.717 186 HD3 LYS 26 2HD LYS 26 -9.764 17.025 7.374 187 HE2 LYS 26 1HE LYS 26 -9.121 14.730 6.279 188 HE3 LYS 26 2HE LYS 26 -9.023 15.696 4.807 189 HZ1 LYS 26 1HZ LYS 26 -6.880 15.599 5.848 190 HZ2 LYS 26 2HZ LYS 26 -7.507 16.147 7.320 191 HZ3 LYS 26 3HZ LYS 26 -7.470 17.179 5.980 192 H THR 27 H THR 27 -12.124 14.258 3.079 193 HA THR 27 HA THR 27 -14.396 13.517 1.547 194 HB THR 27 HB THR 27 -13.279 16.053 0.467 195 HG1 THR 27 1HG THR 27 -14.958 17.177 1.708 196 HG21 THR 27 1HG2 THR 27 -16.125 15.070 0.552 197 HG22 THR 27 2HG2 THR 27 -14.972 14.548 -0.677 198 HG23 THR 27 3HG2 THR 27 -15.411 16.251 -0.546 199 H ILE 28 H ILE 28 -13.732 12.306 -0.117 200 HA ILE 28 HA ILE 28 -10.924 12.572 -0.975 201 HB ILE 28 HB ILE 28 -12.622 10.076 -0.877 202 HG12 ILE 28 1HG1 ILE 28 -10.122 10.815 0.661 203 HG13 ILE 28 2HG1 ILE 28 -11.756 10.867 1.314 204 HG21 ILE 28 1HG2 ILE 28 -9.763 9.787 -1.397 205 HG22 ILE 28 2HG2 ILE 28 -11.143 9.009 -2.172 206 HG23 ILE 28 3HG2 ILE 28 -10.638 10.620 -2.681 207 HD11 ILE 28 1HD1 ILE 28 -11.958 8.454 0.963 208 HD12 ILE 28 2HD1 ILE 28 -10.305 8.416 0.348 209 HD13 ILE 28 3HD1 ILE 28 -10.612 8.863 2.026 210 H CYS 29 H CYS 29 -11.559 14.074 -2.610 211 HA CYS 29 HA CYS 29 -13.447 14.042 -4.486 212 HB2 CYS 29 1HB CYS 29 -10.499 14.407 -5.060 213 HB3 CYS 29 2HB CYS 29 -11.805 14.924 -6.120 214 HG CYS 29 HG CYS 29 -10.695 17.144 -4.777 215 H ASP 30 H ASP 30 -10.831 11.727 -4.278 216 HA ASP 30 HA ASP 30 -12.232 9.808 -5.827 217 HB2 ASP 30 1HB ASP 30 -11.239 11.465 -7.556 218 HB3 ASP 30 2HB ASP 30 -9.694 10.719 -7.156 219 HA PRO 31 HA PRO 31 -9.586 7.356 -3.277 220 HB2 PRO 31 1HB PRO 31 -10.218 4.934 -4.326 221 HB3 PRO 31 2HB PRO 31 -11.300 5.826 -3.251 222 HG2 PRO 31 1HG PRO 31 -11.340 5.625 -6.238 223 HG3 PRO 31 2HG PRO 31 -12.693 5.554 -5.093 224 HD2 PRO 31 1HD PRO 31 -12.086 7.790 -6.496 225 HD3 PRO 31 2HD PRO 31 -12.782 7.846 -4.863 226 H GLU 32 H GLU 32 -9.650 6.685 -6.774 227 HA GLU 32 HA GLU 32 -7.292 5.254 -6.992 228 HB2 GLU 32 1HB GLU 32 -9.054 5.801 -8.787 229 HB3 GLU 32 2HB GLU 32 -8.134 7.275 -9.056 230 HG2 GLU 32 1HG GLU 32 -6.218 6.061 -9.737 231 HG3 GLU 32 2HG GLU 32 -6.915 4.534 -9.200 232 H GLU 33 H GLU 33 -7.699 8.768 -7.455 233 HA GLU 33 HA GLU 33 -4.917 9.284 -7.647 234 HB2 GLU 33 1HB GLU 33 -5.482 11.538 -7.803 235 HB3 GLU 33 2HB GLU 33 -6.911 10.731 -8.432 236 HG2 GLU 33 1HG GLU 33 -7.908 12.221 -7.048 237 HG3 GLU 33 2HG GLU 33 -7.679 10.892 -5.913 238 H PHE 34 H PHE 34 -7.212 9.292 -4.984 239 HA PHE 34 HA PHE 34 -5.644 10.569 -3.053 240 HB2 PHE 34 1HB PHE 34 -7.920 10.245 -2.521 241 HB3 PHE 34 2HB PHE 34 -7.841 8.520 -2.865 242 HD1 PHE 34 2HD PHE 34 -6.617 11.115 -0.512 243 HD2 PHE 34 1HD PHE 34 -7.448 6.990 -1.158 244 HE1 PHE 34 2HE PHE 34 -6.214 10.664 1.872 245 HE2 PHE 34 1HE PHE 34 -7.047 6.533 1.226 246 HZ PHE 34 HZ PHE 34 -6.428 8.371 2.745 247 H LEU 35 H LEU 35 -5.931 7.117 -3.844 248 HA LEU 35 HA LEU 35 -4.120 6.201 -1.889 249 HB2 LEU 35 1HB LEU 35 -5.126 5.052 -4.471 250 HB3 LEU 35 2HB LEU 35 -3.931 4.204 -3.492 251 HG LEU 35 HG LEU 35 -6.495 5.064 -2.229 252 HD11 LEU 35 1HD1 LEU 35 -7.170 2.596 -2.928 253 HD12 LEU 35 2HD1 LEU 35 -6.174 2.993 -4.327 254 HD13 LEU 35 3HD1 LEU 35 -7.568 3.996 -3.925 255 HD21 LEU 35 1HD2 LEU 35 -5.438 2.417 -1.682 256 HD22 LEU 35 2HD2 LEU 35 -5.820 3.734 -0.573 257 HD23 LEU 35 3HD2 LEU 35 -4.253 3.688 -1.383 258 H LYS 36 H LYS 36 -3.659 6.739 -5.383 259 HA LYS 36 HA LYS 36 -1.016 6.104 -5.650 260 HB2 LYS 36 1HB LYS 36 -2.605 8.321 -6.934 261 HB3 LYS 36 2HB LYS 36 -0.951 7.953 -7.407 262 HG2 LYS 36 1HG LYS 36 -1.529 5.892 -8.302 263 HG3 LYS 36 2HG LYS 36 -3.045 5.817 -7.401 264 HD2 LYS 36 1HD LYS 36 -4.146 7.182 -8.873 265 HD3 LYS 36 2HD LYS 36 -2.676 8.038 -9.347 266 HE2 LYS 36 1HE LYS 36 -3.269 5.179 -10.091 267 HE3 LYS 36 2HE LYS 36 -3.661 6.559 -11.116 268 HZ1 LYS 36 1HZ LYS 36 -0.941 5.805 -10.192 269 HZ2 LYS 36 2HZ LYS 36 -1.313 7.136 -11.167 270 HZ3 LYS 36 3HZ LYS 36 -1.557 5.567 -11.750 271 H SER 37 H SER 37 -2.371 9.100 -4.365 272 HA SER 37 HA SER 37 0.105 10.464 -4.116 273 HB2 SER 37 1HB SER 37 -2.657 10.868 -3.034 274 HB3 SER 37 2HB SER 37 -1.324 11.794 -2.345 275 HG SER 37 HG SER 37 -0.839 12.412 -4.568 276 H SER 38 H SER 38 -1.696 8.291 -2.038 277 HA SER 38 HA SER 38 -0.085 8.770 0.285 278 HB2 SER 38 1HB SER 38 -2.425 7.977 0.443 279 HB3 SER 38 2HB SER 38 -1.948 6.460 -0.317 280 HG SER 38 HG SER 38 -1.663 7.276 2.267 281 H LEU 39 H LEU 39 -0.446 5.933 -1.850 282 HA LEU 39 HA LEU 39 1.722 4.496 -0.818 283 HB2 LEU 39 1HB LEU 39 0.716 4.387 -3.653 284 HB3 LEU 39 2HB LEU 39 1.566 3.119 -2.772 285 HG LEU 39 HG LEU 39 -1.156 4.114 -1.960 286 HD11 LEU 39 1HD1 LEU 39 -1.077 1.527 -3.275 287 HD12 LEU 39 2HD1 LEU 39 -0.620 2.848 -4.349 288 HD13 LEU 39 3HD1 LEU 39 -2.173 2.888 -3.515 289 HD21 LEU 39 1HD2 LEU 39 0.551 2.692 -0.507 290 HD22 LEU 39 2HD2 LEU 39 -0.140 1.372 -1.452 291 HD23 LEU 39 3HD2 LEU 39 -1.187 2.396 -0.468 292 H LYS 40 H LYS 40 1.550 6.981 -3.283 293 HA LYS 40 HA LYS 40 3.802 6.821 -4.715 294 HB2 LYS 40 1HB LYS 40 2.653 8.773 -5.124 295 HB3 LYS 40 2HB LYS 40 2.461 9.145 -3.416 296 HG2 LYS 40 1HG LYS 40 4.837 9.758 -3.300 297 HG3 LYS 40 2HG LYS 40 4.988 9.434 -5.029 298 HD2 LYS 40 1HD LYS 40 2.863 11.311 -4.126 299 HD3 LYS 40 2HD LYS 40 4.537 11.872 -4.107 300 HE2 LYS 40 1HE LYS 40 4.739 11.770 -6.388 301 HE3 LYS 40 2HE LYS 40 3.532 10.494 -6.546 302 HZ1 LYS 40 1HZ LYS 40 2.113 12.074 -7.133 303 HZ2 LYS 40 2HZ LYS 40 3.200 13.308 -6.737 304 HZ3 LYS 40 3HZ LYS 40 2.176 12.671 -5.551 305 H ASN 41 H ASN 41 3.812 8.411 -1.516 306 HA ASN 41 HA ASN 41 6.522 8.764 -1.230 307 HB2 ASN 41 1HB ASN 41 4.321 8.283 0.751 308 HB3 ASN 41 2HB ASN 41 5.988 8.404 1.305 309 HD21 ASN 41 1HD2 ASN 41 5.779 10.301 2.390 310 HD22 ASN 41 2HD2 ASN 41 5.450 11.813 1.621 311 H GLY 42 H GLY 42 4.613 5.889 -0.394 312 HA2 GLY 42 1HA GLY 42 5.435 3.676 -0.660 313 HA3 GLY 42 2HA GLY 42 7.074 4.302 -0.562 314 H VAL 43 H VAL 43 6.323 5.949 1.818 315 HA VAL 43 HA VAL 43 7.166 4.178 3.818 316 HB VAL 43 HB VAL 43 7.506 6.542 4.099 317 HG11 VAL 43 1HG1 VAL 43 5.912 7.867 3.253 318 HG12 VAL 43 2HG1 VAL 43 4.647 6.662 3.500 319 HG13 VAL 43 3HG1 VAL 43 5.144 7.706 4.832 320 HG21 VAL 43 1HG2 VAL 43 7.309 5.243 6.141 321 HG22 VAL 43 2HG2 VAL 43 6.645 6.859 6.381 322 HG23 VAL 43 3HG2 VAL 43 5.562 5.486 6.151 323 H VAL 44 H VAL 44 3.978 5.035 2.682 324 HA VAL 44 HA VAL 44 2.467 4.120 4.871 325 HB VAL 44 HB VAL 44 1.687 4.158 1.952 326 HG11 VAL 44 1HG1 VAL 44 -0.305 3.373 2.545 327 HG12 VAL 44 2HG1 VAL 44 0.346 3.062 4.155 328 HG13 VAL 44 3HG1 VAL 44 -0.461 4.592 3.809 329 HG21 VAL 44 1HG2 VAL 44 1.913 6.372 2.199 330 HG22 VAL 44 2HG2 VAL 44 0.438 6.271 3.161 331 HG23 VAL 44 3HG2 VAL 44 2.012 6.261 3.957 332 H LEU 45 H LEU 45 3.655 2.468 1.976 333 HA LEU 45 HA LEU 45 2.361 -0.003 2.522 334 HB2 LEU 45 1HB LEU 45 4.732 0.676 0.792 335 HB3 LEU 45 2HB LEU 45 3.976 -0.916 0.850 336 HG LEU 45 HG LEU 45 2.281 1.439 0.174 337 HD11 LEU 45 1HD1 LEU 45 2.909 0.975 -2.253 338 HD12 LEU 45 2HD1 LEU 45 4.362 0.214 -1.607 339 HD13 LEU 45 3HD1 LEU 45 4.044 1.919 -1.289 340 HD21 LEU 45 1HD2 LEU 45 2.027 -1.376 0.217 341 HD22 LEU 45 2HD2 LEU 45 1.940 -0.864 -1.469 342 HD23 LEU 45 3HD2 LEU 45 0.832 -0.177 -0.280 343 H CYS 46 H CYS 46 5.668 1.179 3.050 344 HA CYS 46 HA CYS 46 6.812 -1.126 4.068 345 HB2 CYS 46 1HB CYS 46 7.313 1.784 4.675 346 HB3 CYS 46 2HB CYS 46 8.279 0.502 5.397 347 HG CYS 46 HG CYS 46 7.962 0.678 2.014 348 H LYS 47 H LYS 47 4.776 1.254 5.668 349 HA LYS 47 HA LYS 47 5.129 0.174 8.292 350 HB2 LYS 47 1HB LYS 47 3.175 2.122 7.087 351 HB3 LYS 47 2HB LYS 47 3.033 1.587 8.756 352 HG2 LYS 47 1HG LYS 47 5.301 2.432 9.197 353 HG3 LYS 47 2HG LYS 47 5.383 3.021 7.536 354 HD2 LYS 47 1HD LYS 47 3.569 4.544 7.924 355 HD3 LYS 47 2HD LYS 47 3.274 3.857 9.523 356 HE2 LYS 47 1HE LYS 47 5.535 4.603 10.208 357 HE3 LYS 47 2HE LYS 47 5.726 5.373 8.633 358 HZ1 LYS 47 1HZ LYS 47 3.744 6.061 10.731 359 HZ2 LYS 47 2HZ LYS 47 3.719 6.706 9.168 360 HZ3 LYS 47 3HZ LYS 47 5.032 7.015 10.188 361 H LEU 48 H LEU 48 2.994 -0.455 5.620 362 HA LEU 48 HA LEU 48 0.983 -1.839 7.075 363 HB2 LEU 48 1HB LEU 48 0.398 -1.009 4.946 364 HB3 LEU 48 2HB LEU 48 1.779 -1.790 4.179 365 HG LEU 48 HG LEU 48 0.693 -3.993 4.644 366 HD11 LEU 48 1HD1 LEU 48 -0.740 -3.273 6.491 367 HD12 LEU 48 2HD1 LEU 48 -1.675 -4.027 5.200 368 HD13 LEU 48 3HD1 LEU 48 -1.673 -2.273 5.377 369 HD21 LEU 48 1HD2 LEU 48 0.025 -2.013 2.692 370 HD22 LEU 48 2HD2 LEU 48 -1.400 -2.990 3.048 371 HD23 LEU 48 3HD2 LEU 48 0.093 -3.767 2.521 372 H ILE 49 H ILE 49 3.175 -3.262 4.660 373 HA ILE 49 HA ILE 49 2.961 -5.877 5.203 374 HB ILE 49 HB ILE 49 4.518 -4.916 3.525 375 HG12 ILE 49 1HG1 ILE 49 6.392 -6.642 3.991 376 HG13 ILE 49 2HG1 ILE 49 5.442 -7.072 5.409 377 HG21 ILE 49 1HG2 ILE 49 6.818 -4.367 4.238 378 HG22 ILE 49 2HG2 ILE 49 5.616 -3.251 4.883 379 HG23 ILE 49 3HG2 ILE 49 6.303 -4.502 5.919 380 HD11 ILE 49 1HD1 ILE 49 4.874 -8.584 3.678 381 HD12 ILE 49 2HD1 ILE 49 3.512 -7.481 3.871 382 HD13 ILE 49 3HD1 ILE 49 4.632 -7.273 2.524 383 H ASN 50 H ASN 50 4.806 -3.572 7.141 384 HA ASN 50 HA ASN 50 6.041 -5.389 8.874 385 HB2 ASN 50 1HB ASN 50 5.297 -2.495 9.059 386 HB3 ASN 50 2HB ASN 50 5.875 -3.326 10.500 387 HD21 ASN 50 1HD2 ASN 50 7.190 -1.180 9.277 388 HD22 ASN 50 2HD2 ASN 50 8.706 -1.746 8.672 389 H ARG 51 H ARG 51 2.930 -3.699 9.155 390 HA ARG 51 HA ARG 51 2.233 -4.759 11.675 391 HB2 ARG 51 1HB ARG 51 1.162 -2.768 10.678 392 HB3 ARG 51 2HB ARG 51 0.411 -3.795 9.464 393 HG2 ARG 51 1HG ARG 51 -1.294 -3.537 10.978 394 HG3 ARG 51 2HG ARG 51 -0.567 -5.051 11.521 395 HD2 ARG 51 1HD ARG 51 0.884 -3.430 13.004 396 HD3 ARG 51 2HD ARG 51 -0.484 -2.344 12.761 397 HE ARG 51 HE ARG 51 -1.698 -3.629 14.205 398 HH11 ARG 51 1HH1 ARG 51 1.032 -5.476 13.084 399 HH12 ARG 51 2HH1 ARG 51 0.737 -6.807 14.154 400 HH21 ARG 51 1HH2 ARG 51 -2.097 -5.374 15.619 401 HH22 ARG 51 2HH2 ARG 51 -1.044 -6.748 15.595 402 H LEU 52 H LEU 52 1.820 -5.934 8.398 403 HA LEU 52 HA LEU 52 0.011 -8.036 9.058 404 HB2 LEU 52 1HB LEU 52 1.852 -7.996 6.687 405 HB3 LEU 52 2HB LEU 52 0.278 -8.775 6.835 406 HG LEU 52 HG LEU 52 0.722 -5.791 6.757 407 HD11 LEU 52 1HD1 LEU 52 -0.316 -7.608 4.590 408 HD12 LEU 52 2HD1 LEU 52 1.309 -6.925 4.637 409 HD13 LEU 52 3HD1 LEU 52 -0.090 -5.862 4.496 410 HD21 LEU 52 1HD2 LEU 52 -1.311 -5.877 7.732 411 HD22 LEU 52 2HD2 LEU 52 -1.617 -7.532 7.202 412 HD23 LEU 52 3HD2 LEU 52 -1.851 -6.189 6.082 413 H MET 53 H MET 53 3.517 -7.844 8.601 414 HA MET 53 HA MET 53 3.749 -10.440 9.963 415 HB2 MET 53 1HB MET 53 5.250 -9.518 7.512 416 HB3 MET 53 2HB MET 53 5.757 -10.884 8.496 417 HG2 MET 53 1HG MET 53 3.411 -11.814 8.073 418 HG3 MET 53 2HG MET 53 3.310 -10.604 6.796 419 HE1 MET 53 1HE MET 53 3.982 -14.323 7.183 420 HE2 MET 53 2HE MET 53 2.776 -13.435 6.252 421 HE3 MET 53 3HE MET 53 4.020 -14.369 5.420 422 HA PRO 54 HA PRO 54 6.381 -8.097 12.644 423 HB2 PRO 54 1HB PRO 54 7.373 -10.193 14.057 424 HB3 PRO 54 2HB PRO 54 5.737 -9.566 14.290 425 HG2 PRO 54 1HG PRO 54 6.649 -11.940 12.710 426 HG3 PRO 54 2HG PRO 54 5.254 -11.786 13.794 427 HD2 PRO 54 1HD PRO 54 5.028 -11.644 11.100 428 HD3 PRO 54 2HD PRO 54 3.969 -10.734 12.196 429 H GLY 55 H GLY 55 8.015 -7.268 11.381 430 HA2 GLY 55 1HA GLY 55 10.378 -7.163 11.135 431 HA3 GLY 55 2HA GLY 55 10.438 -8.917 11.229 432 H SER 56 H SER 56 8.691 -6.585 9.173 433 HA SER 56 HA SER 56 9.332 -8.228 6.848 434 HB2 SER 56 1HB SER 56 7.469 -5.873 7.214 435 HB3 SER 56 2HB SER 56 7.741 -6.676 5.668 436 HG SER 56 HG SER 56 6.999 -8.185 7.919 437 H VAL 57 H VAL 57 9.338 -4.732 7.574 438 HA VAL 57 HA VAL 57 11.502 -4.389 5.625 439 HB VAL 57 HB VAL 57 9.617 -2.417 6.907 440 HG11 VAL 57 1HG1 VAL 57 12.052 -1.894 5.213 441 HG12 VAL 57 2HG1 VAL 57 10.770 -0.710 5.479 442 HG13 VAL 57 3HG1 VAL 57 11.722 -1.302 6.841 443 HG21 VAL 57 1HG2 VAL 57 8.395 -2.852 5.102 444 HG22 VAL 57 2HG2 VAL 57 9.685 -2.162 4.117 445 HG23 VAL 57 3HG2 VAL 57 9.655 -3.895 4.443 446 H GLU 58 H GLU 58 13.514 -3.814 6.200 447 HA GLU 58 HA GLU 58 14.324 -3.999 8.907 448 HB2 GLU 58 1HB GLU 58 15.668 -3.347 6.325 449 HB3 GLU 58 2HB GLU 58 16.502 -2.950 7.820 450 HG2 GLU 58 1HG GLU 58 16.495 -5.229 8.517 451 HG3 GLU 58 2HG GLU 58 15.441 -5.689 7.182 452 H LYS 59 H LYS 59 14.595 -1.225 6.677 453 HA LYS 59 HA LYS 59 13.694 0.591 8.736 454 HB2 LYS 59 1HB LYS 59 16.503 0.806 7.636 455 HB3 LYS 59 2HB LYS 59 15.718 1.996 8.666 456 HG2 LYS 59 1HG LYS 59 15.659 0.467 10.503 457 HG3 LYS 59 2HG LYS 59 16.227 -0.856 9.482 458 HD2 LYS 59 1HD LYS 59 18.274 0.684 9.062 459 HD3 LYS 59 2HD LYS 59 17.731 1.516 10.522 460 HE2 LYS 59 1HE LYS 59 17.971 -1.449 10.587 461 HE3 LYS 59 2HE LYS 59 19.451 -0.491 10.620 462 HZ1 LYS 59 1HZ LYS 59 17.182 -0.218 12.518 463 HZ2 LYS 59 2HZ LYS 59 18.617 0.676 12.558 464 HZ3 LYS 59 3HZ LYS 59 18.650 -0.990 12.849 465 H PHE 60 H PHE 60 12.383 1.963 7.745 466 HA PHE 60 HA PHE 60 12.996 2.737 4.968 467 HB2 PHE 60 1HB PHE 60 10.548 2.999 4.640 468 HB3 PHE 60 2HB PHE 60 11.013 1.343 5.013 469 HD1 PHE 60 2HD PHE 60 10.805 0.603 7.469 470 HD2 PHE 60 1HD PHE 60 8.887 4.047 5.862 471 HE1 PHE 60 2HE PHE 60 9.194 0.570 9.329 472 HE2 PHE 60 1HE PHE 60 7.274 4.020 7.720 473 HZ PHE 60 HZ PHE 60 7.426 2.279 9.456 474 H CYS 61 H CYS 61 11.756 4.837 4.383 475 HA CYS 61 HA CYS 61 12.526 6.819 6.372 476 HB2 CYS 61 1HB CYS 61 13.020 6.846 3.786 477 HB3 CYS 61 2HB CYS 61 11.403 7.534 3.691 478 HG CYS 61 HG CYS 61 13.046 9.701 3.567 479 H LEU 62 H LEU 62 11.102 7.620 7.752 480 HA LEU 62 HA LEU 62 8.295 7.132 7.482 481 HB2 LEU 62 1HB LEU 62 9.917 8.718 9.458 482 HB3 LEU 62 2HB LEU 62 8.164 8.567 9.554 483 HG LEU 62 HG LEU 62 10.192 6.352 9.826 484 HD11 LEU 62 1HD1 LEU 62 8.274 6.710 11.958 485 HD12 LEU 62 2HD1 LEU 62 9.230 8.167 11.690 486 HD13 LEU 62 3HD1 LEU 62 10.035 6.634 12.024 487 HD21 LEU 62 1HD2 LEU 62 8.375 5.365 8.709 488 HD22 LEU 62 2HD2 LEU 62 7.194 6.295 9.632 489 HD23 LEU 62 3HD2 LEU 62 8.113 5.010 10.417 490 H ASP 63 H ASP 63 10.376 9.987 7.242 491 HA ASP 63 HA ASP 63 8.175 11.369 5.864 492 HB2 ASP 63 1HB ASP 63 8.469 12.226 8.197 493 HB3 ASP 63 2HB ASP 63 10.110 12.700 7.768 494 HA PRO 64 HA PRO 64 11.896 11.282 3.152 495 HB2 PRO 64 1HB PRO 64 10.479 10.937 0.862 496 HB3 PRO 64 2HB PRO 64 10.962 9.594 1.905 497 HG2 PRO 64 1HG PRO 64 8.326 11.002 1.730 498 HG3 PRO 64 2HG PRO 64 8.661 9.265 1.862 499 HD2 PRO 64 1HD PRO 64 7.915 10.771 3.985 500 HD3 PRO 64 2HD PRO 64 9.003 9.376 4.138 501 H GLN 65 H GLN 65 12.682 13.261 2.809 502 HA GLN 65 HA GLN 65 10.897 15.438 2.058 503 HB2 GLN 65 1HB GLN 65 12.834 15.482 3.838 504 HB3 GLN 65 2HB GLN 65 13.844 15.786 2.430 505 HG2 GLN 65 1HG GLN 65 11.405 17.436 2.950 506 HG3 GLN 65 2HG GLN 65 12.929 17.782 3.765 507 HE21 GLN 65 1HE2 GLN 65 11.084 18.614 1.221 508 HE22 GLN 65 2HE2 GLN 65 12.298 19.205 0.143 509 H THR 66 H THR 66 13.099 13.267 0.617 510 HA THR 66 HA THR 66 13.111 14.889 -1.846 511 HB THR 66 HB THR 66 15.244 13.951 -2.463 512 HG1 THR 66 1HG THR 66 15.097 12.496 -0.012 513 HG21 THR 66 1HG2 THR 66 16.647 15.043 -0.911 514 HG22 THR 66 2HG2 THR 66 15.536 14.742 0.426 515 HG23 THR 66 3HG2 THR 66 15.111 15.905 -0.830 516 H GLU 67 H GLU 67 13.534 13.441 -3.828 517 HA GLU 67 HA GLU 67 11.411 11.554 -3.978 518 HB2 GLU 67 1HB GLU 67 11.846 12.737 -5.963 519 HB3 GLU 67 2HB GLU 67 13.573 12.420 -5.879 520 HG2 GLU 67 1HG GLU 67 13.104 10.026 -6.315 521 HG3 GLU 67 2HG GLU 67 11.404 10.440 -6.532 522 H ALA 68 H ALA 68 14.950 11.210 -4.184 523 HA ALA 68 HA ALA 68 15.170 8.501 -4.535 524 HB1 ALA 68 1HB ALA 68 16.962 9.988 -2.637 525 HB2 ALA 68 2HB ALA 68 17.366 8.650 -3.714 526 HB3 ALA 68 3HB ALA 68 17.018 10.245 -4.381 527 H ASP 69 H ASP 69 14.110 10.203 -1.710 528 HA ASP 69 HA ASP 69 14.508 8.064 0.143 529 HB2 ASP 69 1HB ASP 69 12.838 10.577 0.252 530 HB3 ASP 69 2HB ASP 69 12.936 9.430 1.585 531 H CYS 70 H CYS 70 11.756 9.253 -1.739 532 HA CYS 70 HA CYS 70 9.824 7.510 -0.669 533 HB2 CYS 70 1HB CYS 70 9.981 8.871 -3.363 534 HB3 CYS 70 2HB CYS 70 8.566 7.999 -2.786 535 HG CYS 70 HG CYS 70 8.326 9.730 -0.498 536 H ILE 71 H ILE 71 11.594 7.287 -3.759 537 HA ILE 71 HA ILE 71 10.698 4.866 -4.655 538 HB ILE 71 HB ILE 71 13.564 5.808 -4.814 539 HG12 ILE 71 1HG1 ILE 71 12.308 7.575 -5.709 540 HG13 ILE 71 2HG1 ILE 71 12.716 6.606 -7.121 541 HG21 ILE 71 1HG2 ILE 71 12.228 3.468 -5.803 542 HG22 ILE 71 2HG2 ILE 71 12.802 4.455 -7.145 543 HG23 ILE 71 3HG2 ILE 71 13.932 3.910 -5.906 544 HD11 ILE 71 1HD1 ILE 71 10.508 6.991 -7.508 545 HD12 ILE 71 2HD1 ILE 71 10.398 5.483 -6.598 546 HD13 ILE 71 3HD1 ILE 71 10.096 7.023 -5.793 547 H ASN 72 H ASN 72 13.180 5.460 -2.216 548 HA ASN 72 HA ASN 72 14.085 2.819 -1.929 549 HB2 ASN 72 1HB ASN 72 14.102 5.237 -0.153 550 HB3 ASN 72 2HB ASN 72 14.629 3.681 0.481 551 HD21 ASN 72 1HD2 ASN 72 16.115 6.164 -0.004 552 HD22 ASN 72 2HD2 ASN 72 17.424 5.728 -1.044 553 H ASN 73 H ASN 73 11.487 4.588 -0.293 554 HA ASN 73 HA ASN 73 10.784 2.633 1.574 555 HB2 ASN 73 1HB ASN 73 9.046 4.696 0.203 556 HB3 ASN 73 2HB ASN 73 8.563 3.761 1.616 557 HD21 ASN 73 1HD2 ASN 73 8.407 6.337 1.953 558 HD22 ASN 73 2HD2 ASN 73 9.714 6.962 2.895 559 H ILE 74 H ILE 74 9.378 3.262 -1.640 560 HA ILE 74 HA ILE 74 7.535 1.192 -1.688 561 HB ILE 74 HB ILE 74 9.113 2.326 -3.999 562 HG12 ILE 74 1HG1 ILE 74 6.284 2.965 -3.168 563 HG13 ILE 74 2HG1 ILE 74 7.669 3.884 -2.589 564 HG21 ILE 74 1HG2 ILE 74 6.899 1.518 -5.184 565 HG22 ILE 74 2HG2 ILE 74 8.270 0.433 -4.959 566 HG23 ILE 74 3HG2 ILE 74 6.894 0.354 -3.860 567 HD11 ILE 74 1HD1 ILE 74 7.529 5.146 -4.393 568 HD12 ILE 74 2HD1 ILE 74 7.914 3.738 -5.383 569 HD13 ILE 74 3HD1 ILE 74 6.232 4.138 -5.035 570 H ASN 75 H ASN 75 10.797 1.144 -3.139 571 HA ASN 75 HA ASN 75 10.901 -1.470 -3.947 572 HB2 ASN 75 1HB ASN 75 12.992 0.427 -2.948 573 HB3 ASN 75 2HB ASN 75 13.435 -1.245 -3.280 574 HD21 ASN 75 1HD2 ASN 75 13.325 1.754 -4.561 575 HD22 ASN 75 2HD2 ASN 75 13.267 1.359 -6.242 576 H ASP 76 H ASP 76 11.637 -0.202 -0.718 577 HA ASP 76 HA ASP 76 12.492 -2.559 0.484 578 HB2 ASP 76 1HB ASP 76 12.314 -0.070 1.368 579 HB3 ASP 76 2HB ASP 76 10.801 -0.659 2.051 580 H PHE 77 H PHE 77 9.201 -1.187 0.457 581 HA PHE 77 HA PHE 77 7.857 -3.123 1.847 582 HB2 PHE 77 1HB PHE 77 6.636 -1.211 1.173 583 HB3 PHE 77 2HB PHE 77 7.009 -1.475 -0.528 584 HD1 PHE 77 1HD PHE 77 5.385 -3.322 2.282 585 HD2 PHE 77 2HD PHE 77 5.298 -2.246 -1.835 586 HE1 PHE 77 1HE PHE 77 3.263 -4.538 2.013 587 HE2 PHE 77 2HE PHE 77 3.175 -3.459 -2.111 588 HZ PHE 77 HZ PHE 77 2.155 -4.607 -0.185 589 H LEU 78 H LEU 78 8.488 -3.121 -1.657 590 HA LEU 78 HA LEU 78 7.252 -5.467 -2.371 591 HB2 LEU 78 1HB LEU 78 9.897 -4.435 -3.385 592 HB3 LEU 78 2HB LEU 78 8.882 -5.625 -4.196 593 HG LEU 78 HG LEU 78 7.904 -2.844 -3.614 594 HD11 LEU 78 1HD1 LEU 78 8.986 -3.585 -6.288 595 HD12 LEU 78 2HD1 LEU 78 10.102 -3.066 -5.026 596 HD13 LEU 78 3HD1 LEU 78 8.800 -1.997 -5.544 597 HD21 LEU 78 1HD2 LEU 78 6.487 -4.953 -4.353 598 HD22 LEU 78 2HD2 LEU 78 7.090 -4.496 -5.946 599 HD23 LEU 78 3HD2 LEU 78 6.157 -3.343 -4.992 600 H LYS 79 H LYS 79 10.517 -5.063 -1.046 601 HA LYS 79 HA LYS 79 11.507 -7.604 -1.226 602 HB2 LYS 79 1HB LYS 79 11.755 -5.784 1.177 603 HB3 LYS 79 2HB LYS 79 12.827 -7.121 0.781 604 HG2 LYS 79 1HG LYS 79 12.425 -4.839 -1.117 605 HG3 LYS 79 2HG LYS 79 13.585 -4.744 0.210 606 HD2 LYS 79 1HD LYS 79 14.901 -6.465 -0.659 607 HD3 LYS 79 2HD LYS 79 13.600 -7.063 -1.693 608 HE2 LYS 79 1HE LYS 79 13.764 -4.902 -2.967 609 HE3 LYS 79 2HE LYS 79 15.216 -4.542 -2.034 610 HZ1 LYS 79 1HZ LYS 79 15.728 -5.543 -4.185 611 HZ2 LYS 79 2HZ LYS 79 14.845 -6.924 -3.770 612 HZ3 LYS 79 3HZ LYS 79 16.248 -6.528 -2.911 613 H GLY 80 H GLY 80 8.974 -6.443 0.875 614 HA2 GLY 80 1HA GLY 80 8.942 -8.923 2.411 615 HA3 GLY 80 2HA GLY 80 7.928 -7.514 2.686 616 H CYS 81 H CYS 81 7.140 -7.353 -0.144 617 HA CYS 81 HA CYS 81 4.789 -8.869 -0.025 618 HB2 CYS 81 1HB CYS 81 6.095 -7.746 -2.510 619 HB3 CYS 81 2HB CYS 81 4.396 -8.156 -2.311 620 HG CYS 81 HG CYS 81 5.916 -5.730 -0.445 621 H ALA 82 H ALA 82 7.939 -9.588 -1.337 622 HA ALA 82 HA ALA 82 7.289 -11.729 -3.016 623 HB1 ALA 82 1HB ALA 82 9.630 -10.486 -2.123 624 HB2 ALA 82 2HB ALA 82 9.796 -12.186 -1.684 625 HB3 ALA 82 3HB ALA 82 9.483 -11.735 -3.360 626 H THR 83 H THR 83 7.413 -11.502 0.434 627 HA THR 83 HA THR 83 7.762 -14.232 1.059 628 HB THR 83 HB THR 83 6.555 -11.930 2.573 629 HG1 THR 83 1HG THR 83 8.722 -11.834 2.693 630 HG21 THR 83 1HG2 THR 83 5.292 -13.613 3.529 631 HG22 THR 83 2HG2 THR 83 6.736 -13.647 4.541 632 HG23 THR 83 3HG2 THR 83 6.529 -14.840 3.258 633 H LEU 84 H LEU 84 4.904 -12.290 0.363 634 HA LEU 84 HA LEU 84 3.106 -14.493 0.910 635 HB2 LEU 84 1HB LEU 84 2.540 -11.802 -0.322 636 HB3 LEU 84 2HB LEU 84 1.341 -12.955 0.259 637 HG LEU 84 HG LEU 84 3.376 -11.834 2.144 638 HD11 LEU 84 1HD1 LEU 84 0.762 -10.467 1.929 639 HD12 LEU 84 2HD1 LEU 84 1.969 -10.088 0.701 640 HD13 LEU 84 3HD1 LEU 84 2.340 -9.838 2.407 641 HD21 LEU 84 1HD2 LEU 84 0.528 -12.353 2.803 642 HD22 LEU 84 2HD2 LEU 84 1.978 -12.579 3.782 643 HD23 LEU 84 3HD2 LEU 84 1.576 -13.743 2.517 644 H GLN 85 H GLN 85 5.031 -13.540 -1.658 645 HA GLN 85 HA GLN 85 5.206 -14.195 -3.828 646 HB2 GLN 85 1HB GLN 85 3.170 -16.314 -3.138 647 HB3 GLN 85 2HB GLN 85 4.354 -16.356 -4.438 648 HG2 GLN 85 1HG GLN 85 6.124 -16.738 -2.983 649 HG3 GLN 85 2HG GLN 85 5.219 -16.171 -1.581 650 HE21 GLN 85 1HE2 GLN 85 5.808 -18.817 -3.738 651 HE22 GLN 85 2HE2 GLN 85 4.980 -20.023 -2.818 652 H VAL 86 H VAL 86 3.388 -12.126 -3.255 653 HA VAL 86 HA VAL 86 1.148 -12.626 -5.088 654 HB VAL 86 HB VAL 86 0.229 -10.481 -4.216 655 HG11 VAL 86 1HG1 VAL 86 -0.669 -11.426 -2.278 656 HG12 VAL 86 2HG1 VAL 86 -0.216 -12.822 -3.258 657 HG13 VAL 86 3HG1 VAL 86 0.809 -12.316 -1.915 658 HG21 VAL 86 1HG2 VAL 86 2.774 -10.006 -3.346 659 HG22 VAL 86 2HG2 VAL 86 1.339 -9.132 -2.809 660 HG23 VAL 86 3HG2 VAL 86 1.959 -10.479 -1.855 661 H GLU 87 H GLU 87 0.682 -11.168 -6.781 662 HA GLU 87 HA GLU 87 2.623 -10.460 -8.494 663 HB2 GLU 87 1HB GLU 87 0.070 -8.936 -7.957 664 HB3 GLU 87 2HB GLU 87 1.094 -8.666 -9.360 665 HG2 GLU 87 1HG GLU 87 0.739 -10.976 -10.067 666 HG3 GLU 87 2HG GLU 87 -0.291 -11.245 -8.662 667 H ILE 88 H ILE 88 3.834 -8.607 -9.014 668 HA ILE 88 HA ILE 88 4.110 -6.628 -6.852 669 HB ILE 88 HB ILE 88 6.557 -6.574 -7.308 670 HG12 ILE 88 1HG1 ILE 88 6.304 -9.255 -8.615 671 HG13 ILE 88 2HG1 ILE 88 6.119 -7.804 -9.594 672 HG21 ILE 88 1HG2 ILE 88 6.809 -9.092 -6.370 673 HG22 ILE 88 2HG2 ILE 88 6.306 -7.719 -5.386 674 HG23 ILE 88 3HG2 ILE 88 5.096 -8.805 -6.067 675 HD11 ILE 88 1HD1 ILE 88 8.335 -8.031 -9.849 676 HD12 ILE 88 2HD1 ILE 88 8.394 -7.212 -8.288 677 HD13 ILE 88 3HD1 ILE 88 8.518 -8.970 -8.368 678 H PHE 89 H PHE 89 5.434 -4.690 -7.630 679 HA PHE 89 HA PHE 89 5.076 -4.122 -10.471 680 HB2 PHE 89 1HB PHE 89 4.018 -1.916 -9.918 681 HB3 PHE 89 2HB PHE 89 3.005 -3.312 -9.561 682 HD1 PHE 89 1HD PHE 89 5.148 -0.707 -8.075 683 HD2 PHE 89 2HD PHE 89 2.295 -3.783 -7.354 684 HE1 PHE 89 1HE PHE 89 4.882 0.087 -5.762 685 HE2 PHE 89 2HE PHE 89 2.023 -2.993 -5.040 686 HZ PHE 89 HZ PHE 89 3.317 -1.056 -4.241 687 H ASP 90 H ASP 90 5.923 -1.763 -10.880 688 HA ASP 90 HA ASP 90 8.572 -1.658 -9.650 689 HB2 ASP 90 1HB ASP 90 7.413 -0.395 -12.134 690 HB3 ASP 90 2HB ASP 90 9.010 0.015 -11.516 691 HA PRO 91 HA PRO 91 7.764 1.898 -7.208 692 HB2 PRO 91 1HB PRO 91 10.186 3.122 -7.265 693 HB3 PRO 91 2HB PRO 91 9.881 1.639 -6.354 694 HG2 PRO 91 1HG PRO 91 11.150 1.982 -9.043 695 HG3 PRO 91 2HG PRO 91 11.639 0.932 -7.701 696 HD2 PRO 91 1HD PRO 91 10.269 0.010 -9.846 697 HD3 PRO 91 2HD PRO 91 10.071 -0.675 -8.221 698 H ASP 92 H ASP 92 8.886 2.238 -10.472 699 HA ASP 92 HA ASP 92 8.558 5.099 -10.573 700 HB2 ASP 92 1HB ASP 92 8.701 4.511 -13.147 701 HB3 ASP 92 2HB ASP 92 10.134 4.458 -12.124 702 H ASP 93 H ASP 93 6.640 2.271 -11.286 703 HA ASP 93 HA ASP 93 4.631 3.591 -12.804 704 HB2 ASP 93 1HB ASP 93 4.704 0.965 -11.325 705 HB3 ASP 93 2HB ASP 93 3.266 1.521 -12.177 706 H LEU 94 H LEU 94 4.986 2.796 -9.379 707 HA LEU 94 HA LEU 94 2.402 3.853 -8.684 708 HB2 LEU 94 1HB LEU 94 3.082 2.154 -7.265 709 HB3 LEU 94 2HB LEU 94 4.734 2.762 -7.168 710 HG LEU 94 HG LEU 94 4.015 4.557 -5.701 711 HD11 LEU 94 1HD1 LEU 94 1.861 5.088 -5.215 712 HD12 LEU 94 2HD1 LEU 94 1.288 3.433 -5.412 713 HD13 LEU 94 3HD1 LEU 94 1.615 4.427 -6.831 714 HD21 LEU 94 1HD2 LEU 94 2.941 1.891 -4.785 715 HD22 LEU 94 2HD2 LEU 94 3.431 3.234 -3.753 716 HD23 LEU 94 3HD2 LEU 94 4.633 2.387 -4.727 717 H TYR 95 H TYR 95 5.732 4.820 -7.835 718 HA TYR 95 HA TYR 95 5.179 7.223 -6.617 719 HB2 TYR 95 1HB TYR 95 7.421 6.179 -6.721 720 HB3 TYR 95 2HB TYR 95 7.543 6.643 -8.415 721 HD1 TYR 95 2HD TYR 95 6.657 8.331 -5.192 722 HD2 TYR 95 1HD TYR 95 8.887 8.464 -8.813 723 HE1 TYR 95 2HE TYR 95 7.601 10.502 -4.524 724 HE2 TYR 95 1HE TYR 95 9.838 10.635 -8.155 725 HH TYR 95 HH TYR 95 9.785 12.293 -6.668 726 H SER 96 H SER 96 5.855 6.693 -10.073 727 HA SER 96 HA SER 96 5.295 9.419 -10.762 728 HB2 SER 96 1HB SER 96 6.779 7.599 -11.985 729 HB3 SER 96 2HB SER 96 5.262 7.241 -12.811 730 HG SER 96 HG SER 96 5.268 9.699 -13.072 731 H GLY 97 H GLY 97 3.632 6.330 -11.417 732 HA2 GLY 97 1HA GLY 97 1.227 6.206 -11.025 733 HA3 GLY 97 2HA GLY 97 1.115 7.863 -11.600 734 H VAL 98 H VAL 98 3.003 5.279 -13.079 735 HA VAL 98 HA VAL 98 1.697 5.764 -15.612 736 HB VAL 98 HB VAL 98 3.855 3.773 -14.898 737 HG11 VAL 98 1HG1 VAL 98 2.511 4.504 -17.458 738 HG12 VAL 98 2HG1 VAL 98 4.215 4.047 -17.476 739 HG13 VAL 98 3HG1 VAL 98 3.006 2.922 -16.858 740 HG21 VAL 98 1HG2 VAL 98 5.128 5.605 -14.732 741 HG22 VAL 98 2HG2 VAL 98 4.982 5.707 -16.487 742 HG23 VAL 98 3HG2 VAL 98 3.894 6.637 -15.457 743 H ASN 99 H ASN 99 2.235 2.884 -13.574 744 HA ASN 99 HA ASN 99 -0.287 1.790 -14.629 745 HB2 ASN 99 1HB ASN 99 1.967 0.726 -15.435 746 HB3 ASN 99 2HB ASN 99 1.970 -0.019 -13.839 747 HD21 ASN 99 1HD2 ASN 99 1.459 -0.851 -16.786 748 HD22 ASN 99 2HD2 ASN 99 0.079 -1.882 -16.652 749 H PHE 100 H PHE 100 -1.364 2.585 -12.776 750 HA PHE 100 HA PHE 100 -0.522 1.744 -10.149 751 HB2 PHE 100 1HB PHE 100 -1.596 3.910 -10.397 752 HB3 PHE 100 2HB PHE 100 -3.025 3.154 -11.094 753 HD1 PHE 100 2HD PHE 100 -0.975 2.359 -8.082 754 HD2 PHE 100 1HD PHE 100 -4.790 3.414 -9.648 755 HE1 PHE 100 2HE PHE 100 -1.953 2.149 -5.834 756 HE2 PHE 100 1HE PHE 100 -5.773 3.206 -7.403 757 HZ PHE 100 HZ PHE 100 -4.355 2.572 -5.492 758 H SER 101 H SER 101 -2.954 0.816 -12.511 759 HA SER 101 HA SER 101 -4.672 -0.756 -11.126 760 HB2 SER 101 1HB SER 101 -4.851 -0.471 -13.537 761 HB3 SER 101 2HB SER 101 -3.384 -1.416 -13.786 762 HG SER 101 HG SER 101 -5.851 -2.306 -13.650 763 H LYS 102 H LYS 102 -1.326 -1.468 -11.857 764 HA LYS 102 HA LYS 102 -1.409 -4.207 -11.070 765 HB2 LYS 102 1HB LYS 102 0.796 -2.226 -11.558 766 HB3 LYS 102 2HB LYS 102 1.150 -3.809 -10.879 767 HG2 LYS 102 1HG LYS 102 0.116 -4.864 -12.841 768 HG3 LYS 102 2HG LYS 102 -0.179 -3.265 -13.527 769 HD2 LYS 102 1HD LYS 102 1.797 -3.774 -14.559 770 HD3 LYS 102 2HD LYS 102 2.414 -2.991 -13.102 771 HE2 LYS 102 1HE LYS 102 3.683 -4.948 -13.299 772 HE3 LYS 102 2HE LYS 102 2.467 -5.332 -12.081 773 HZ1 LYS 102 1HZ LYS 102 2.221 -6.039 -14.953 774 HZ2 LYS 102 2HZ LYS 102 1.204 -6.530 -13.694 775 HZ3 LYS 102 3HZ LYS 102 2.797 -7.095 -13.764 776 H VAL 103 H VAL 103 -0.437 -1.205 -9.451 777 HA VAL 103 HA VAL 103 0.491 -2.311 -7.062 778 HB VAL 103 HB VAL 103 -0.967 0.321 -7.297 779 HG11 VAL 103 1HG1 VAL 103 0.477 -1.021 -5.186 780 HG12 VAL 103 2HG1 VAL 103 1.208 0.538 -5.574 781 HG13 VAL 103 3HG1 VAL 103 -0.496 0.448 -5.126 782 HG21 VAL 103 1HG2 VAL 103 1.949 0.378 -7.454 783 HG22 VAL 103 2HG2 VAL 103 1.182 -0.411 -8.833 784 HG23 VAL 103 3HG2 VAL 103 0.744 1.244 -8.409 785 H LEU 104 H LEU 104 -2.771 -1.184 -7.916 786 HA LEU 104 HA LEU 104 -4.038 -1.609 -5.494 787 HB2 LEU 104 1HB LEU 104 -5.010 -0.526 -7.519 788 HB3 LEU 104 2HB LEU 104 -5.230 -2.132 -8.212 789 HG LEU 104 HG LEU 104 -6.680 -2.630 -6.171 790 HD11 LEU 104 1HD1 LEU 104 -6.833 0.369 -6.007 791 HD12 LEU 104 2HD1 LEU 104 -5.843 -0.607 -4.923 792 HD13 LEU 104 3HD1 LEU 104 -7.593 -0.822 -4.951 793 HD21 LEU 104 1HD2 LEU 104 -7.535 -2.250 -8.453 794 HD22 LEU 104 2HD2 LEU 104 -7.631 -0.522 -8.109 795 HD23 LEU 104 3HD2 LEU 104 -8.636 -1.659 -7.209 796 H SER 105 H SER 105 -3.632 -3.901 -8.185 797 HA SER 105 HA SER 105 -4.964 -6.060 -6.983 798 HB2 SER 105 1HB SER 105 -3.892 -7.449 -8.661 799 HB3 SER 105 2HB SER 105 -4.369 -5.921 -9.401 800 HG SER 105 HG SER 105 -1.847 -6.955 -8.922 801 H THR 106 H THR 106 -1.458 -5.456 -7.243 802 HA THR 106 HA THR 106 -0.403 -7.528 -5.882 803 HB THR 106 HB THR 106 0.371 -4.619 -5.673 804 HG1 THR 106 1HG THR 106 1.256 -6.848 -7.195 805 HG21 THR 106 1HG2 THR 106 2.636 -5.907 -5.012 806 HG22 THR 106 2HG2 THR 106 1.456 -6.991 -4.277 807 HG23 THR 106 3HG2 THR 106 1.495 -5.288 -3.819 808 H LEU 107 H LEU 107 -1.778 -4.625 -4.354 809 HA LEU 107 HA LEU 107 -1.345 -5.507 -1.694 810 HB2 LEU 107 1HB LEU 107 -3.138 -3.425 -2.906 811 HB3 LEU 107 2HB LEU 107 -3.110 -3.744 -1.173 812 HG LEU 107 HG LEU 107 -0.693 -2.897 -2.764 813 HD11 LEU 107 1HD1 LEU 107 -2.952 -1.354 -1.897 814 HD12 LEU 107 2HD1 LEU 107 -1.527 -0.843 -2.801 815 HD13 LEU 107 3HD1 LEU 107 -1.498 -0.846 -1.038 816 HD21 LEU 107 1HD2 LEU 107 0.473 -3.010 -0.853 817 HD22 LEU 107 2HD2 LEU 107 -0.816 -4.089 -0.318 818 HD23 LEU 107 3HD2 LEU 107 -0.861 -2.379 0.114 819 H LEU 108 H LEU 108 -4.198 -5.547 -3.809 820 HA LEU 108 HA LEU 108 -6.116 -6.514 -2.125 821 HB2 LEU 108 1HB LEU 108 -5.555 -6.973 -5.019 822 HB3 LEU 108 2HB LEU 108 -6.859 -7.868 -4.240 823 HG LEU 108 HG LEU 108 -6.707 -4.863 -4.197 824 HD11 LEU 108 1HD1 LEU 108 -8.640 -6.075 -6.017 825 HD12 LEU 108 2HD1 LEU 108 -6.962 -6.317 -6.501 826 HD13 LEU 108 3HD1 LEU 108 -7.579 -4.685 -6.245 827 HD21 LEU 108 1HD2 LEU 108 -8.808 -4.909 -3.312 828 HD22 LEU 108 2HD2 LEU 108 -8.176 -6.411 -2.639 829 HD23 LEU 108 3HD2 LEU 108 -9.215 -6.451 -4.064 830 H ALA 109 H ALA 109 -3.750 -8.462 -3.931 831 HA ALA 109 HA ALA 109 -4.581 -10.974 -3.018 832 HB1 ALA 109 1HB ALA 109 -2.211 -11.667 -3.574 833 HB2 ALA 109 2HB ALA 109 -3.127 -10.907 -4.876 834 HB3 ALA 109 3HB ALA 109 -1.916 -9.979 -3.992 835 H VAL 110 H VAL 110 -2.364 -8.616 -1.622 836 HA VAL 110 HA VAL 110 -1.292 -10.235 0.410 837 HB VAL 110 HB VAL 110 -1.657 -7.251 0.217 838 HG11 VAL 110 1HG1 VAL 110 0.137 -7.379 2.139 839 HG12 VAL 110 2HG1 VAL 110 -1.590 -7.409 2.501 840 HG13 VAL 110 3HG1 VAL 110 -0.666 -8.912 2.480 841 HG21 VAL 110 1HG2 VAL 110 0.240 -9.105 -0.805 842 HG22 VAL 110 2HG2 VAL 110 0.212 -7.351 -0.980 843 HG23 VAL 110 3HG2 VAL 110 1.047 -8.087 0.387 844 H ASN 111 H ASN 111 -4.125 -8.102 0.361 845 HA ASN 111 HA ASN 111 -4.815 -8.413 3.076 846 HB2 ASN 111 1HB ASN 111 -5.852 -6.598 2.048 847 HB3 ASN 111 2HB ASN 111 -6.297 -7.532 0.622 848 HD21 ASN 111 1HD2 ASN 111 -6.914 -7.354 4.105 849 HD22 ASN 111 2HD2 ASN 111 -8.588 -7.771 4.004 850 H LYS 112 H LYS 112 -5.557 -10.286 0.204 851 HA LYS 112 HA LYS 112 -7.593 -11.895 1.326 852 HB2 LYS 112 1HB LYS 112 -5.802 -12.094 -1.058 853 HB3 LYS 112 2HB LYS 112 -6.704 -13.520 -0.560 854 HG2 LYS 112 1HG LYS 112 -8.050 -10.878 -1.009 855 HG3 LYS 112 2HG LYS 112 -7.751 -12.014 -2.326 856 HD2 LYS 112 1HD LYS 112 -8.908 -13.739 -0.785 857 HD3 LYS 112 2HD LYS 112 -9.518 -12.324 0.077 858 HE2 LYS 112 1HE LYS 112 -11.173 -12.935 -1.513 859 HE3 LYS 112 2HE LYS 112 -10.382 -11.484 -2.128 860 HZ1 LYS 112 1HZ LYS 112 -9.072 -12.841 -3.609 861 HZ2 LYS 112 2HZ LYS 112 -10.715 -13.165 -3.852 862 HZ3 LYS 112 3HZ LYS 112 -9.757 -14.258 -2.986 863 H ALA 113 H ALA 113 -4.085 -12.197 1.207 864 HA ALA 113 HA ALA 113 -4.111 -14.812 2.439 865 HB1 ALA 113 1HB ALA 113 -1.536 -14.112 2.589 866 HB2 ALA 113 2HB ALA 113 -2.275 -14.742 1.116 867 HB3 ALA 113 3HB ALA 113 -2.058 -13.004 1.320 868 H THR 114 H THR 114 -3.935 -11.510 3.443 869 HA THR 114 HA THR 114 -3.248 -12.356 6.180 870 HB THR 114 HB THR 114 -2.659 -9.979 6.598 871 HG1 THR 114 1HG THR 114 -2.301 -8.801 4.474 872 HG21 THR 114 1HG2 THR 114 -0.906 -11.564 6.005 873 HG22 THR 114 2HG2 THR 114 -0.565 -9.983 5.303 874 HG23 THR 114 3HG2 THR 114 -1.205 -11.278 4.291 875 H GLU 115 H GLU 115 -5.906 -12.162 4.607 876 HA GLU 115 HA GLU 115 -7.517 -10.151 5.626 877 HB2 GLU 115 1HB GLU 115 -8.092 -11.887 3.858 878 HB3 GLU 115 2HB GLU 115 -8.454 -12.983 5.184 879 HG2 GLU 115 1HG GLU 115 -9.764 -10.297 4.933 880 HG3 GLU 115 2HG GLU 115 -10.399 -11.735 4.137 881 H SER 116 H SER 116 -7.327 -9.642 7.750 882 HA SER 116 HA SER 116 -6.879 -11.177 9.931 883 HB2 SER 116 1HB SER 116 -7.236 -8.666 9.859 884 HB3 SER 116 2HB SER 116 -8.967 -8.993 9.952 885 HG SER 116 HG SER 116 -7.172 -10.085 11.834 886 H GLY 117 H GLY 117 -7.985 -12.531 11.278 887 HA2 GLY 117 1HA GLY 117 -10.496 -12.988 11.888 888 HA3 GLY 117 2HA GLY 117 -10.516 -13.567 10.229 889 HA PRO 118 HA PRO 118 -9.518 -17.188 12.899 890 HB2 PRO 118 1HB PRO 118 -11.064 -18.923 11.496 891 HB3 PRO 118 2HB PRO 118 -11.699 -17.904 12.793 892 HG2 PRO 118 1HG PRO 118 -11.826 -17.498 9.829 893 HG3 PRO 118 2HG PRO 118 -13.091 -17.254 11.047 894 HD2 PRO 118 1HD PRO 118 -11.651 -15.208 10.013 895 HD3 PRO 118 2HD PRO 118 -12.262 -15.198 11.679 896 H SER 119 H SER 119 -7.379 -17.262 12.155 897 HA SER 119 HA SER 119 -6.449 -17.705 9.610 898 HB2 SER 119 1HB SER 119 -4.408 -18.539 10.611 899 HB3 SER 119 2HB SER 119 -5.035 -17.232 11.615 900 HG SER 119 HG SER 119 -5.104 -18.599 13.193 901 H SER 120 H SER 120 -5.305 -19.775 8.866 902 HA SER 120 HA SER 120 -7.276 -21.937 8.976 903 HB2 SER 120 1HB SER 120 -6.705 -21.149 6.744 904 HB3 SER 120 2HB SER 120 -4.992 -21.429 7.054 905 HG SER 120 HG SER 120 -7.064 -23.321 6.735 906 H GLY 121 H GLY 121 -6.911 -23.544 10.346 907 HA2 GLY 121 1HA GLY 121 -4.750 -24.006 11.925 908 HA3 GLY 121 2HA GLY 121 -5.807 -25.296 11.368 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -28.820 2.915 -12.167 2 HA2 GLY 1 1HA GLY 1 -27.564 3.713 -10.308 3 HA3 GLY 1 2HA GLY 1 -29.081 3.164 -9.610 4 H SER 2 H SER 2 -26.310 1.324 -10.860 5 HA SER 2 HA SER 2 -26.190 -0.063 -8.272 6 HB2 SER 2 1HB SER 2 -26.593 -1.411 -10.363 7 HB3 SER 2 2HB SER 2 -24.973 -0.957 -10.892 8 HG SER 2 HG SER 2 -25.222 -2.032 -8.337 9 H SER 3 H SER 3 -24.490 0.194 -6.979 10 HA SER 3 HA SER 3 -22.525 2.118 -7.413 11 HB2 SER 3 1HB SER 3 -22.736 -0.184 -5.486 12 HB3 SER 3 2HB SER 3 -21.313 0.857 -5.503 13 HG SER 3 HG SER 3 -22.432 2.242 -4.411 14 H GLY 4 H GLY 4 -22.089 -1.429 -7.397 15 HA2 GLY 4 1HA GLY 4 -20.846 -2.663 -8.971 16 HA3 GLY 4 2HA GLY 4 -20.140 -1.163 -9.556 17 H SER 5 H SER 5 -19.638 -3.914 -7.695 18 HA SER 5 HA SER 5 -18.045 -3.318 -5.607 19 HB2 SER 5 1HB SER 5 -18.538 -5.620 -6.485 20 HB3 SER 5 2HB SER 5 -17.265 -5.378 -7.682 21 HG SER 5 HG SER 5 -15.761 -5.351 -6.091 22 H SER 6 H SER 6 -15.848 -2.882 -5.235 23 HA SER 6 HA SER 6 -14.125 -2.204 -7.460 24 HB2 SER 6 1HB SER 6 -13.725 0.115 -6.640 25 HB3 SER 6 2HB SER 6 -15.365 -0.128 -7.241 26 HG SER 6 HG SER 6 -14.911 -0.570 -4.527 27 H GLY 7 H GLY 7 -11.949 -1.442 -6.656 28 HA2 GLY 7 1HA GLY 7 -11.314 -2.891 -4.165 29 HA3 GLY 7 2HA GLY 7 -10.208 -2.692 -5.516 30 H GLU 8 H GLU 8 -10.614 0.063 -5.983 31 HA GLU 8 HA GLU 8 -8.699 1.305 -4.583 32 HB2 GLU 8 1HB GLU 8 -11.320 2.597 -5.361 33 HB3 GLU 8 2HB GLU 8 -9.823 3.451 -5.011 34 HG2 GLU 8 1HG GLU 8 -8.833 2.812 -6.978 35 HG3 GLU 8 2HG GLU 8 -9.838 1.373 -7.143 36 H GLU 9 H GLU 9 -12.129 1.496 -3.611 37 HA GLU 9 HA GLU 9 -11.698 2.787 -1.172 38 HB2 GLU 9 1HB GLU 9 -13.902 2.391 -2.417 39 HB3 GLU 9 2HB GLU 9 -13.922 0.811 -1.645 40 HG2 GLU 9 1HG GLU 9 -14.108 1.748 0.504 41 HG3 GLU 9 2HG GLU 9 -13.687 3.358 -0.077 42 H GLN 10 H GLN 10 -12.164 -0.687 -1.814 43 HA GLN 10 HA GLN 10 -12.015 -1.746 0.675 44 HB2 GLN 10 1HB GLN 10 -10.925 -2.694 -1.948 45 HB3 GLN 10 2HB GLN 10 -10.607 -3.624 -0.490 46 HG2 GLN 10 1HG GLN 10 -13.189 -3.440 -0.159 47 HG3 GLN 10 2HG GLN 10 -13.184 -3.122 -1.893 48 HE21 GLN 10 1HE2 GLN 10 -13.774 -4.897 -2.907 49 HE22 GLN 10 2HE2 GLN 10 -13.197 -6.493 -2.584 50 H ILE 11 H ILE 11 -9.238 -0.759 -1.304 51 HA ILE 11 HA ILE 11 -7.272 -1.498 0.600 52 HB ILE 11 HB ILE 11 -7.073 0.539 -1.621 53 HG12 ILE 11 1HG1 ILE 11 -7.724 -1.777 -2.329 54 HG13 ILE 11 2HG1 ILE 11 -6.184 -1.233 -2.984 55 HG21 ILE 11 1HG2 ILE 11 -4.609 -0.102 -1.448 56 HG22 ILE 11 2HG2 ILE 11 -5.265 0.941 -0.187 57 HG23 ILE 11 3HG2 ILE 11 -5.020 -0.777 0.129 58 HD11 ILE 11 1HD1 ILE 11 -6.686 -3.609 -1.661 59 HD12 ILE 11 2HD1 ILE 11 -5.107 -2.928 -2.051 60 HD13 ILE 11 3HD1 ILE 11 -5.836 -2.618 -0.476 61 H VAL 12 H VAL 12 -8.546 1.705 -0.323 62 HA VAL 12 HA VAL 12 -7.224 3.349 1.372 63 HB VAL 12 HB VAL 12 -10.187 3.446 0.792 64 HG11 VAL 12 1HG1 VAL 12 -9.622 4.821 2.725 65 HG12 VAL 12 2HG1 VAL 12 -8.345 5.613 1.799 66 HG13 VAL 12 3HG1 VAL 12 -10.034 5.826 1.336 67 HG21 VAL 12 1HG2 VAL 12 -9.683 4.767 -1.076 68 HG22 VAL 12 2HG2 VAL 12 -8.025 5.046 -0.543 69 HG23 VAL 12 3HG2 VAL 12 -8.505 3.456 -1.135 70 H THR 13 H THR 13 -10.123 1.472 2.226 71 HA THR 13 HA THR 13 -10.040 2.291 4.975 72 HB THR 13 HB THR 13 -11.615 0.063 3.669 73 HG1 THR 13 1HG THR 13 -12.641 2.561 4.509 74 HG21 THR 13 1HG2 THR 13 -11.299 0.872 6.438 75 HG22 THR 13 2HG2 THR 13 -12.099 -0.548 5.764 76 HG23 THR 13 3HG2 THR 13 -12.977 0.974 5.909 77 H TRP 14 H TRP 14 -9.038 -0.548 3.142 78 HA TRP 14 HA TRP 14 -8.528 -2.357 5.146 79 HB2 TRP 14 1HB TRP 14 -8.258 -2.931 2.801 80 HB3 TRP 14 2HB TRP 14 -6.896 -1.823 2.656 81 HD1 TRP 14 HD TRP 14 -7.430 -4.462 5.438 82 HE1 TRP 14 1HE TRP 14 -5.416 -6.065 5.410 83 HE3 TRP 14 3HE TRP 14 -4.982 -2.618 1.346 84 HZ2 TRP 14 2HZ TRP 14 -3.096 -6.491 3.859 85 HZ3 TRP 14 3HZ TRP 14 -2.871 -3.680 0.657 86 HH2 TRP 14 HH TRP 14 -1.950 -5.575 1.889 87 H LEU 15 H LEU 15 -6.194 0.013 3.853 88 HA LEU 15 HA LEU 15 -4.114 -0.500 5.613 89 HB2 LEU 15 1HB LEU 15 -4.872 2.185 4.474 90 HB3 LEU 15 2HB LEU 15 -3.284 1.710 5.073 91 HG LEU 15 HG LEU 15 -4.603 0.406 2.700 92 HD11 LEU 15 1HD1 LEU 15 -2.479 2.523 2.560 93 HD12 LEU 15 2HD1 LEU 15 -4.197 2.906 2.458 94 HD13 LEU 15 3HD1 LEU 15 -3.457 1.852 1.254 95 HD21 LEU 15 1HD2 LEU 15 -1.671 0.546 3.140 96 HD22 LEU 15 2HD2 LEU 15 -2.645 -0.715 2.384 97 HD23 LEU 15 3HD2 LEU 15 -2.604 -0.566 4.141 98 H ILE 16 H ILE 16 -6.539 2.104 5.891 99 HA ILE 16 HA ILE 16 -5.823 3.087 8.363 100 HB ILE 16 HB ILE 16 -8.606 2.827 7.222 101 HG12 ILE 16 1HG1 ILE 16 -6.854 5.278 7.282 102 HG13 ILE 16 2HG1 ILE 16 -6.794 4.127 5.951 103 HG21 ILE 16 1HG2 ILE 16 -9.042 3.269 9.441 104 HG22 ILE 16 2HG2 ILE 16 -7.558 4.196 9.658 105 HG23 ILE 16 3HG2 ILE 16 -8.915 4.898 8.777 106 HD11 ILE 16 1HD1 ILE 16 -8.345 5.460 5.051 107 HD12 ILE 16 2HD1 ILE 16 -9.455 4.594 6.114 108 HD13 ILE 16 3HD1 ILE 16 -8.798 6.155 6.606 109 H SER 17 H SER 17 -8.463 0.747 7.814 110 HA SER 17 HA SER 17 -9.177 0.101 10.324 111 HB2 SER 17 1HB SER 17 -9.881 -2.036 9.543 112 HB3 SER 17 2HB SER 17 -9.993 -0.954 8.155 113 HG SER 17 HG SER 17 -7.971 -2.857 8.718 114 H LEU 18 H LEU 18 -6.307 -1.153 8.666 115 HA LEU 18 HA LEU 18 -5.453 -2.870 10.729 116 HB2 LEU 18 1HB LEU 18 -4.077 -1.541 8.424 117 HB3 LEU 18 2HB LEU 18 -3.159 -2.479 9.600 118 HG LEU 18 HG LEU 18 -5.488 -3.657 8.112 119 HD11 LEU 18 1HD1 LEU 18 -3.555 -2.658 6.663 120 HD12 LEU 18 2HD1 LEU 18 -4.188 -4.268 6.323 121 HD13 LEU 18 3HD1 LEU 18 -2.678 -4.085 7.216 122 HD21 LEU 18 1HD2 LEU 18 -4.718 -4.854 10.085 123 HD22 LEU 18 2HD2 LEU 18 -3.068 -4.850 9.463 124 HD23 LEU 18 3HD2 LEU 18 -4.327 -5.754 8.620 125 H GLY 19 H GLY 19 -4.544 0.478 9.938 126 HA2 GLY 19 1HA GLY 19 -4.333 1.995 11.880 127 HA3 GLY 19 2HA GLY 19 -3.449 0.701 12.675 128 H VAL 20 H VAL 20 -3.073 1.654 9.307 129 HA VAL 20 HA VAL 20 -0.365 2.625 9.960 130 HB VAL 20 HB VAL 20 0.344 1.819 7.721 131 HG11 VAL 20 1HG1 VAL 20 -0.319 -0.748 8.541 132 HG12 VAL 20 2HG1 VAL 20 1.112 0.172 9.010 133 HG13 VAL 20 3HG1 VAL 20 -0.330 0.203 10.026 134 HG21 VAL 20 1HG2 VAL 20 -2.050 1.802 6.842 135 HG22 VAL 20 2HG2 VAL 20 -1.011 0.459 6.367 136 HG23 VAL 20 3HG2 VAL 20 -2.210 0.238 7.641 137 H LEU 21 H LEU 21 -3.344 3.205 8.352 138 HA LEU 21 HA LEU 21 -2.219 5.615 7.085 139 HB2 LEU 21 1HB LEU 21 -3.156 4.011 5.493 140 HB3 LEU 21 2HB LEU 21 -4.697 4.063 6.347 141 HG LEU 21 HG LEU 21 -4.914 6.450 5.726 142 HD11 LEU 21 1HD1 LEU 21 -3.446 7.431 4.096 143 HD12 LEU 21 2HD1 LEU 21 -2.509 5.941 3.983 144 HD13 LEU 21 3HD1 LEU 21 -2.488 6.884 5.473 145 HD21 LEU 21 1HD2 LEU 21 -5.822 5.984 3.678 146 HD22 LEU 21 2HD2 LEU 21 -5.647 4.350 4.318 147 HD23 LEU 21 3HD2 LEU 21 -4.460 4.983 3.177 148 H GLU 22 H GLU 22 -3.601 7.518 7.053 149 HA GLU 22 HA GLU 22 -4.800 7.975 9.616 150 HB2 GLU 22 1HB GLU 22 -5.254 10.260 8.682 151 HB3 GLU 22 2HB GLU 22 -3.565 9.776 8.651 152 HG2 GLU 22 1HG GLU 22 -3.674 9.310 6.307 153 HG3 GLU 22 2HG GLU 22 -5.417 9.569 6.291 154 H SER 23 H SER 23 -6.957 8.641 10.019 155 HA SER 23 HA SER 23 -8.882 7.539 8.085 156 HB2 SER 23 1HB SER 23 -9.012 6.344 10.153 157 HB3 SER 23 2HB SER 23 -9.022 7.839 11.089 158 HG SER 23 HG SER 23 -11.063 8.308 10.155 159 HA PRO 24 HA PRO 24 -9.606 12.091 7.953 160 HB2 PRO 24 1HB PRO 24 -10.171 12.138 5.298 161 HB3 PRO 24 2HB PRO 24 -8.523 12.226 5.931 162 HG2 PRO 24 1HG PRO 24 -10.007 9.870 4.831 163 HG3 PRO 24 2HG PRO 24 -8.328 10.366 4.548 164 HD2 PRO 24 1HD PRO 24 -8.994 8.398 6.285 165 HD3 PRO 24 2HD PRO 24 -7.595 9.461 6.537 166 H LYS 25 H LYS 25 -11.547 12.830 8.517 167 HA LYS 25 HA LYS 25 -13.892 11.268 8.401 168 HB2 LYS 25 1HB LYS 25 -13.330 14.144 9.051 169 HB3 LYS 25 2HB LYS 25 -14.987 13.565 8.944 170 HG2 LYS 25 1HG LYS 25 -14.447 11.852 10.652 171 HG3 LYS 25 2HG LYS 25 -12.845 12.577 10.814 172 HD2 LYS 25 1HD LYS 25 -14.107 14.768 11.272 173 HD3 LYS 25 2HD LYS 25 -15.520 13.741 11.525 174 HE2 LYS 25 1HE LYS 25 -12.919 13.268 12.954 175 HE3 LYS 25 2HE LYS 25 -14.142 14.374 13.578 176 HZ1 LYS 25 1HZ LYS 25 -14.069 11.803 14.195 177 HZ2 LYS 25 2HZ LYS 25 -15.063 11.718 12.830 178 HZ3 LYS 25 3HZ LYS 25 -15.509 12.690 14.141 179 H LYS 26 H LYS 26 -12.692 13.915 6.395 180 HA LYS 26 HA LYS 26 -14.955 14.378 4.845 181 HB2 LYS 26 1HB LYS 26 -12.565 15.516 4.912 182 HB3 LYS 26 2HB LYS 26 -12.263 14.442 3.553 183 HG2 LYS 26 1HG LYS 26 -12.963 16.452 2.592 184 HG3 LYS 26 2HG LYS 26 -14.382 15.404 2.525 185 HD2 LYS 26 1HD LYS 26 -14.891 16.529 4.858 186 HD3 LYS 26 2HD LYS 26 -13.864 17.809 4.206 187 HE2 LYS 26 1HE LYS 26 -16.279 16.665 2.807 188 HE3 LYS 26 2HE LYS 26 -16.287 18.145 3.766 189 HZ1 LYS 26 1HZ LYS 26 -14.278 18.657 2.111 190 HZ2 LYS 26 2HZ LYS 26 -15.883 19.069 1.768 191 HZ3 LYS 26 3HZ LYS 26 -15.211 17.663 1.110 192 H THR 27 H THR 27 -15.702 13.564 2.893 193 HA THR 27 HA THR 27 -15.082 10.772 2.427 194 HB THR 27 HB THR 27 -16.972 12.248 0.659 195 HG1 THR 27 1HG THR 27 -17.544 13.075 2.672 196 HG21 THR 27 1HG2 THR 27 -16.620 9.846 0.376 197 HG22 THR 27 2HG2 THR 27 -18.268 10.179 0.910 198 HG23 THR 27 3HG2 THR 27 -17.074 9.573 2.058 199 H ILE 28 H ILE 28 -13.467 10.215 1.131 200 HA ILE 28 HA ILE 28 -12.302 12.009 -0.757 201 HB ILE 28 HB ILE 28 -11.859 9.052 -0.337 202 HG12 ILE 28 1HG1 ILE 28 -9.877 11.171 0.368 203 HG13 ILE 28 2HG1 ILE 28 -11.262 10.941 1.429 204 HG21 ILE 28 1HG2 ILE 28 -10.861 10.906 -2.365 205 HG22 ILE 28 2HG2 ILE 28 -9.594 10.023 -1.515 206 HG23 ILE 28 3HG2 ILE 28 -10.876 9.143 -2.347 207 HD11 ILE 28 1HD1 ILE 28 -9.491 9.646 2.300 208 HD12 ILE 28 2HD1 ILE 28 -10.625 8.518 1.556 209 HD13 ILE 28 3HD1 ILE 28 -9.133 8.948 0.721 210 H CYS 29 H CYS 29 -13.526 12.567 -2.469 211 HA CYS 29 HA CYS 29 -15.370 10.870 -3.766 212 HB2 CYS 29 1HB CYS 29 -15.449 12.608 -5.504 213 HB3 CYS 29 2HB CYS 29 -15.538 13.307 -3.891 214 HG CYS 29 HG CYS 29 -13.382 13.907 -6.306 215 H ASP 30 H ASP 30 -12.025 11.762 -4.500 216 HA ASP 30 HA ASP 30 -11.995 9.668 -6.573 217 HB2 ASP 30 1HB ASP 30 -9.856 10.980 -7.299 218 HB3 ASP 30 2HB ASP 30 -11.446 11.608 -7.726 219 HA PRO 31 HA PRO 31 -9.390 7.984 -3.192 220 HB2 PRO 31 1HB PRO 31 -10.019 5.396 -3.719 221 HB3 PRO 31 2HB PRO 31 -11.027 6.444 -2.714 222 HG2 PRO 31 1HG PRO 31 -11.351 5.700 -5.596 223 HG3 PRO 31 2HG PRO 31 -12.581 5.807 -4.323 224 HD2 PRO 31 1HD PRO 31 -12.210 7.763 -6.159 225 HD3 PRO 31 2HD PRO 31 -12.744 8.100 -4.499 226 H GLU 32 H GLU 32 -9.608 7.343 -6.612 227 HA GLU 32 HA GLU 32 -7.427 5.626 -6.942 228 HB2 GLU 32 1HB GLU 32 -9.233 6.507 -8.636 229 HB3 GLU 32 2HB GLU 32 -8.023 7.736 -8.977 230 HG2 GLU 32 1HG GLU 32 -6.532 6.217 -9.863 231 HG3 GLU 32 2HG GLU 32 -7.265 4.851 -9.023 232 H GLU 33 H GLU 33 -7.525 9.173 -7.312 233 HA GLU 33 HA GLU 33 -4.727 9.453 -7.625 234 HB2 GLU 33 1HB GLU 33 -7.016 11.294 -7.148 235 HB3 GLU 33 2HB GLU 33 -5.402 11.901 -6.805 236 HG2 GLU 33 1HG GLU 33 -6.326 10.761 -9.433 237 HG3 GLU 33 2HG GLU 33 -6.132 12.473 -9.060 238 H PHE 34 H PHE 34 -6.871 9.645 -4.830 239 HA PHE 34 HA PHE 34 -5.022 10.624 -2.968 240 HB2 PHE 34 1HB PHE 34 -7.387 10.583 -2.460 241 HB3 PHE 34 2HB PHE 34 -7.421 8.826 -2.576 242 HD1 PHE 34 1HD PHE 34 -6.248 7.462 -0.858 243 HD2 PHE 34 2HD PHE 34 -6.746 11.671 -0.469 244 HE1 PHE 34 1HE PHE 34 -5.770 7.293 1.550 245 HE2 PHE 34 2HE PHE 34 -6.269 11.509 1.939 246 HZ PHE 34 HZ PHE 34 -5.779 9.318 2.952 247 H LEU 35 H LEU 35 -5.693 7.357 -4.089 248 HA LEU 35 HA LEU 35 -4.019 6.074 -2.160 249 HB2 LEU 35 1HB LEU 35 -5.440 5.238 -4.645 250 HB3 LEU 35 2HB LEU 35 -4.194 4.186 -3.975 251 HG LEU 35 HG LEU 35 -6.563 5.135 -2.377 252 HD11 LEU 35 1HD1 LEU 35 -6.403 2.404 -3.566 253 HD12 LEU 35 2HD1 LEU 35 -7.029 3.740 -4.532 254 HD13 LEU 35 3HD1 LEU 35 -7.810 3.311 -3.010 255 HD21 LEU 35 1HD2 LEU 35 -4.933 4.373 -0.905 256 HD22 LEU 35 2HD2 LEU 35 -4.395 3.101 -2.003 257 HD23 LEU 35 3HD2 LEU 35 -5.940 2.948 -1.165 258 H LYS 36 H LYS 36 -3.672 6.600 -5.672 259 HA LYS 36 HA LYS 36 -1.120 5.639 -6.019 260 HB2 LYS 36 1HB LYS 36 -2.357 8.054 -7.355 261 HB3 LYS 36 2HB LYS 36 -0.947 7.181 -7.942 262 HG2 LYS 36 1HG LYS 36 -2.175 5.417 -8.692 263 HG3 LYS 36 2HG LYS 36 -3.440 5.638 -7.480 264 HD2 LYS 36 1HD LYS 36 -4.563 6.368 -9.327 265 HD3 LYS 36 2HD LYS 36 -3.820 7.889 -8.827 266 HE2 LYS 36 1HE LYS 36 -1.909 7.319 -10.376 267 HE3 LYS 36 2HE LYS 36 -2.911 6.007 -10.994 268 HZ1 LYS 36 1HZ LYS 36 -4.078 8.687 -10.907 269 HZ2 LYS 36 2HZ LYS 36 -4.317 7.441 -12.026 270 HZ3 LYS 36 3HZ LYS 36 -2.912 8.380 -12.094 271 H SER 37 H SER 37 -2.124 8.527 -4.407 272 HA SER 37 HA SER 37 0.566 9.645 -4.397 273 HB2 SER 37 1HB SER 37 -1.432 11.119 -4.686 274 HB3 SER 37 2HB SER 37 -1.930 10.699 -3.047 275 HG SER 37 HG SER 37 -0.569 12.697 -3.476 276 H SER 38 H SER 38 -1.741 8.133 -2.215 277 HA SER 38 HA SER 38 -0.302 8.577 0.178 278 HB2 SER 38 1HB SER 38 -2.535 6.789 -0.664 279 HB3 SER 38 2HB SER 38 -1.688 6.399 0.832 280 HG SER 38 HG SER 38 -3.545 8.258 0.425 281 H LEU 39 H LEU 39 -0.199 6.047 -2.256 282 HA LEU 39 HA LEU 39 1.677 4.457 -0.714 283 HB2 LEU 39 1HB LEU 39 0.798 4.054 -3.565 284 HB3 LEU 39 2HB LEU 39 1.560 2.872 -2.502 285 HG LEU 39 HG LEU 39 -1.169 4.031 -1.974 286 HD11 LEU 39 1HD1 LEU 39 -1.611 1.477 -2.790 287 HD12 LEU 39 2HD1 LEU 39 -0.326 1.980 -3.887 288 HD13 LEU 39 3HD1 LEU 39 -1.822 2.908 -3.798 289 HD21 LEU 39 1HD2 LEU 39 -0.319 1.355 -1.047 290 HD22 LEU 39 2HD2 LEU 39 -1.315 2.572 -0.248 291 HD23 LEU 39 3HD2 LEU 39 0.440 2.744 -0.269 292 H LYS 40 H LYS 40 1.675 6.599 -3.503 293 HA LYS 40 HA LYS 40 3.987 6.238 -4.776 294 HB2 LYS 40 1HB LYS 40 2.747 8.141 -5.384 295 HB3 LYS 40 2HB LYS 40 2.794 8.801 -3.754 296 HG2 LYS 40 1HG LYS 40 5.280 9.082 -4.068 297 HG3 LYS 40 2HG LYS 40 5.019 8.696 -5.771 298 HD2 LYS 40 1HD LYS 40 3.350 10.817 -4.507 299 HD3 LYS 40 2HD LYS 40 5.024 11.190 -4.925 300 HE2 LYS 40 1HE LYS 40 4.006 11.774 -6.881 301 HE3 LYS 40 2HE LYS 40 4.323 10.073 -7.215 302 HZ1 LYS 40 1HZ LYS 40 1.809 11.439 -6.854 303 HZ2 LYS 40 2HZ LYS 40 1.923 9.982 -6.003 304 HZ3 LYS 40 3HZ LYS 40 2.152 10.003 -7.679 305 H ASN 41 H ASN 41 3.854 8.114 -1.742 306 HA ASN 41 HA ASN 41 6.514 8.577 -1.341 307 HB2 ASN 41 1HB ASN 41 4.254 8.057 0.556 308 HB3 ASN 41 2HB ASN 41 5.887 8.242 1.187 309 HD21 ASN 41 1HD2 ASN 41 5.585 10.156 2.213 310 HD22 ASN 41 2HD2 ASN 41 5.242 11.639 1.396 311 H GLY 42 H GLY 42 4.730 5.674 -0.294 312 HA2 GLY 42 1HA GLY 42 5.664 3.481 -0.501 313 HA3 GLY 42 2HA GLY 42 7.268 4.192 -0.404 314 H VAL 43 H VAL 43 6.478 5.903 1.878 315 HA VAL 43 HA VAL 43 7.296 4.216 3.968 316 HB VAL 43 HB VAL 43 7.620 6.646 4.031 317 HG11 VAL 43 1HG1 VAL 43 5.977 8.118 3.734 318 HG12 VAL 43 2HG1 VAL 43 4.931 6.754 3.335 319 HG13 VAL 43 3HG1 VAL 43 4.989 7.369 4.988 320 HG21 VAL 43 1HG2 VAL 43 6.278 5.178 6.229 321 HG22 VAL 43 2HG2 VAL 43 7.891 5.889 6.160 322 HG23 VAL 43 3HG2 VAL 43 6.484 6.919 6.424 323 H VAL 44 H VAL 44 4.125 5.119 2.800 324 HA VAL 44 HA VAL 44 2.627 4.253 5.038 325 HB VAL 44 HB VAL 44 1.876 4.587 2.137 326 HG11 VAL 44 1HG1 VAL 44 0.026 3.414 2.501 327 HG12 VAL 44 2HG1 VAL 44 0.470 3.160 4.190 328 HG13 VAL 44 3HG1 VAL 44 -0.441 4.596 3.722 329 HG21 VAL 44 1HG2 VAL 44 0.633 6.243 4.212 330 HG22 VAL 44 2HG2 VAL 44 2.374 6.465 4.046 331 HG23 VAL 44 3HG2 VAL 44 1.319 6.701 2.654 332 H LEU 45 H LEU 45 3.774 2.619 2.132 333 HA LEU 45 HA LEU 45 2.347 0.194 2.625 334 HB2 LEU 45 1HB LEU 45 4.663 0.881 0.833 335 HB3 LEU 45 2HB LEU 45 3.958 -0.732 0.911 336 HG LEU 45 HG LEU 45 2.187 1.588 0.296 337 HD11 LEU 45 1HD1 LEU 45 4.476 0.810 -1.286 338 HD12 LEU 45 2HD1 LEU 45 3.359 2.158 -1.502 339 HD13 LEU 45 3HD1 LEU 45 2.966 0.573 -2.167 340 HD21 LEU 45 1HD2 LEU 45 1.138 -0.182 -1.145 341 HD22 LEU 45 2HD2 LEU 45 1.102 -0.506 0.589 342 HD23 LEU 45 3HD2 LEU 45 2.276 -1.330 -0.439 343 H CYS 46 H CYS 46 5.611 1.353 3.297 344 HA CYS 46 HA CYS 46 6.737 -1.055 4.165 345 HB2 CYS 46 1HB CYS 46 7.332 1.785 5.015 346 HB3 CYS 46 2HB CYS 46 8.336 0.399 5.424 347 HG CYS 46 HG CYS 46 8.286 2.211 2.662 348 H LYS 47 H LYS 47 4.666 1.248 5.791 349 HA LYS 47 HA LYS 47 5.040 0.101 8.401 350 HB2 LYS 47 1HB LYS 47 3.107 2.125 7.282 351 HB3 LYS 47 2HB LYS 47 3.015 1.560 8.945 352 HG2 LYS 47 1HG LYS 47 5.315 2.356 9.317 353 HG3 LYS 47 2HG LYS 47 5.342 2.981 7.667 354 HD2 LYS 47 1HD LYS 47 3.875 4.684 8.143 355 HD3 LYS 47 2HD LYS 47 3.121 3.805 9.475 356 HE2 LYS 47 1HE LYS 47 5.973 4.685 9.672 357 HE3 LYS 47 2HE LYS 47 4.670 5.832 9.978 358 HZ1 LYS 47 1HZ LYS 47 5.729 3.968 11.737 359 HZ2 LYS 47 2HZ LYS 47 4.170 3.428 11.366 360 HZ3 LYS 47 3HZ LYS 47 4.400 4.983 11.990 361 H LEU 48 H LEU 48 2.898 -0.385 5.710 362 HA LEU 48 HA LEU 48 0.830 -1.739 7.100 363 HB2 LEU 48 1HB LEU 48 0.271 -0.896 4.989 364 HB3 LEU 48 2HB LEU 48 1.685 -1.622 4.229 365 HG LEU 48 HG LEU 48 0.618 -3.865 4.620 366 HD11 LEU 48 1HD1 LEU 48 -1.930 -2.343 5.036 367 HD12 LEU 48 2HD1 LEU 48 -0.948 -2.886 6.396 368 HD13 LEU 48 3HD1 LEU 48 -1.613 -4.063 5.264 369 HD21 LEU 48 1HD2 LEU 48 0.524 -2.414 2.490 370 HD22 LEU 48 2HD2 LEU 48 -1.159 -2.134 2.940 371 HD23 LEU 48 3HD2 LEU 48 -0.588 -3.775 2.636 372 H ILE 49 H ILE 49 3.123 -3.154 4.767 373 HA ILE 49 HA ILE 49 2.778 -5.791 5.302 374 HB ILE 49 HB ILE 49 4.311 -4.930 3.573 375 HG12 ILE 49 1HG1 ILE 49 6.213 -6.630 4.097 376 HG13 ILE 49 2HG1 ILE 49 5.252 -7.016 5.520 377 HG21 ILE 49 1HG2 ILE 49 6.325 -3.927 3.996 378 HG22 ILE 49 2HG2 ILE 49 5.391 -3.346 5.373 379 HG23 ILE 49 3HG2 ILE 49 6.505 -4.699 5.571 380 HD11 ILE 49 1HD1 ILE 49 4.874 -8.509 3.570 381 HD12 ILE 49 2HD1 ILE 49 3.417 -7.718 4.173 382 HD13 ILE 49 3HD1 ILE 49 4.199 -7.127 2.707 383 H ASN 50 H ASN 50 4.546 -3.474 7.253 384 HA ASN 50 HA ASN 50 5.860 -5.291 8.953 385 HB2 ASN 50 1HB ASN 50 5.146 -2.402 9.070 386 HB3 ASN 50 2HB ASN 50 5.593 -3.190 10.580 387 HD21 ASN 50 1HD2 ASN 50 6.846 -1.221 8.536 388 HD22 ASN 50 2HD2 ASN 50 8.468 -1.801 8.398 389 H ARG 51 H ARG 51 2.691 -3.727 9.168 390 HA ARG 51 HA ARG 51 2.035 -4.777 11.724 391 HB2 ARG 51 1HB ARG 51 0.935 -2.791 10.766 392 HB3 ARG 51 2HB ARG 51 0.204 -3.800 9.526 393 HG2 ARG 51 1HG ARG 51 -1.521 -3.632 11.013 394 HG3 ARG 51 2HG ARG 51 -0.745 -5.112 11.582 395 HD2 ARG 51 1HD ARG 51 -1.281 -3.649 13.450 396 HD3 ARG 51 2HD ARG 51 0.465 -3.822 13.275 397 HE ARG 51 HE ARG 51 -0.231 -1.560 11.854 398 HH11 ARG 51 1HH1 ARG 51 -0.433 -2.663 15.150 399 HH12 ARG 51 2HH1 ARG 51 -0.310 -1.073 15.827 400 HH21 ARG 51 1HH2 ARG 51 -0.068 0.538 12.733 401 HH22 ARG 51 2HH2 ARG 51 -0.103 0.747 14.451 402 H LEU 52 H LEU 52 1.624 -5.927 8.438 403 HA LEU 52 HA LEU 52 -0.169 -8.046 9.070 404 HB2 LEU 52 1HB LEU 52 1.703 -7.868 6.718 405 HB3 LEU 52 2HB LEU 52 0.233 -8.832 6.841 406 HG LEU 52 HG LEU 52 0.333 -5.816 6.781 407 HD11 LEU 52 1HD1 LEU 52 0.164 -5.864 4.556 408 HD12 LEU 52 2HD1 LEU 52 -0.955 -7.227 4.577 409 HD13 LEU 52 3HD1 LEU 52 0.783 -7.511 4.678 410 HD21 LEU 52 1HD2 LEU 52 -1.667 -6.122 7.781 411 HD22 LEU 52 2HD2 LEU 52 -1.797 -7.800 7.255 412 HD23 LEU 52 3HD2 LEU 52 -2.189 -6.492 6.137 413 H MET 53 H MET 53 3.340 -7.887 8.536 414 HA MET 53 HA MET 53 3.573 -10.465 9.939 415 HB2 MET 53 1HB MET 53 5.064 -9.541 7.483 416 HB3 MET 53 2HB MET 53 5.589 -10.897 8.472 417 HG2 MET 53 1HG MET 53 3.266 -11.868 8.064 418 HG3 MET 53 2HG MET 53 3.118 -10.652 6.798 419 HE1 MET 53 1HE MET 53 2.808 -13.603 6.873 420 HE2 MET 53 2HE MET 53 3.278 -13.926 5.204 421 HE3 MET 53 3HE MET 53 4.200 -14.632 6.532 422 HA PRO 54 HA PRO 54 6.215 -8.150 12.627 423 HB2 PRO 54 1HB PRO 54 7.255 -10.255 13.990 424 HB3 PRO 54 2HB PRO 54 5.612 -9.659 14.252 425 HG2 PRO 54 1HG PRO 54 6.543 -11.988 12.618 426 HG3 PRO 54 2HG PRO 54 5.158 -11.876 13.720 427 HD2 PRO 54 1HD PRO 54 4.900 -11.688 11.031 428 HD3 PRO 54 2HD PRO 54 3.839 -10.815 12.155 429 H GLY 55 H GLY 55 7.870 -7.251 11.482 430 HA2 GLY 55 1HA GLY 55 10.199 -7.097 11.149 431 HA3 GLY 55 2HA GLY 55 10.307 -8.848 11.258 432 H SER 56 H SER 56 8.522 -6.554 9.189 433 HA SER 56 HA SER 56 9.138 -8.220 6.877 434 HB2 SER 56 1HB SER 56 7.366 -5.779 7.145 435 HB3 SER 56 2HB SER 56 7.543 -6.747 5.682 436 HG SER 56 HG SER 56 6.386 -7.474 8.153 437 H VAL 57 H VAL 57 9.345 -4.763 7.732 438 HA VAL 57 HA VAL 57 11.391 -4.418 5.660 439 HB VAL 57 HB VAL 57 9.885 -2.337 7.251 440 HG11 VAL 57 1HG1 VAL 57 10.883 -0.698 5.809 441 HG12 VAL 57 2HG1 VAL 57 12.170 -1.657 6.540 442 HG13 VAL 57 3HG1 VAL 57 11.691 -1.951 4.868 443 HG21 VAL 57 1HG2 VAL 57 9.466 -2.343 4.391 444 HG22 VAL 57 2HG2 VAL 57 9.018 -3.890 5.110 445 HG23 VAL 57 3HG2 VAL 57 8.286 -2.398 5.700 446 H GLU 58 H GLU 58 13.407 -3.518 6.104 447 HA GLU 58 HA GLU 58 14.392 -4.046 8.772 448 HB2 GLU 58 1HB GLU 58 15.678 -3.314 6.158 449 HB3 GLU 58 2HB GLU 58 16.593 -3.244 7.658 450 HG2 GLU 58 1HG GLU 58 15.968 -5.637 8.045 451 HG3 GLU 58 2HG GLU 58 15.297 -5.653 6.415 452 H LYS 59 H LYS 59 14.390 -1.247 6.567 453 HA LYS 59 HA LYS 59 13.857 0.575 8.706 454 HB2 LYS 59 1HB LYS 59 15.940 1.877 8.514 455 HB3 LYS 59 2HB LYS 59 16.233 0.252 9.122 456 HG2 LYS 59 1HG LYS 59 16.918 -0.432 6.847 457 HG3 LYS 59 2HG LYS 59 16.722 1.242 6.320 458 HD2 LYS 59 1HD LYS 59 18.961 1.236 6.792 459 HD3 LYS 59 2HD LYS 59 18.322 1.707 8.369 460 HE2 LYS 59 1HE LYS 59 18.699 -0.385 9.289 461 HE3 LYS 59 2HE LYS 59 18.722 -1.183 7.717 462 HZ1 LYS 59 1HZ LYS 59 20.929 -0.928 8.857 463 HZ2 LYS 59 2HZ LYS 59 20.815 0.733 8.564 464 HZ3 LYS 59 3HZ LYS 59 20.862 -0.353 7.268 465 H PHE 60 H PHE 60 12.502 1.961 7.800 466 HA PHE 60 HA PHE 60 13.003 2.807 5.022 467 HB2 PHE 60 1HB PHE 60 10.567 3.076 4.768 468 HB3 PHE 60 2HB PHE 60 10.998 1.415 5.163 469 HD1 PHE 60 2HD PHE 60 10.766 0.671 7.583 470 HD2 PHE 60 1HD PHE 60 9.037 4.253 6.067 471 HE1 PHE 60 2HE PHE 60 9.206 0.718 9.484 472 HE2 PHE 60 1HE PHE 60 7.475 4.307 7.967 473 HZ PHE 60 HZ PHE 60 7.557 2.537 9.678 474 H CYS 61 H CYS 61 11.809 4.943 4.541 475 HA CYS 61 HA CYS 61 12.609 6.836 6.616 476 HB2 CYS 61 1HB CYS 61 13.272 6.966 4.103 477 HB3 CYS 61 2HB CYS 61 11.651 7.612 3.877 478 HG CYS 61 HG CYS 61 13.188 9.840 3.918 479 H LEU 62 H LEU 62 11.106 7.433 8.024 480 HA LEU 62 HA LEU 62 8.350 7.048 7.724 481 HB2 LEU 62 1HB LEU 62 10.000 8.745 9.561 482 HB3 LEU 62 2HB LEU 62 8.240 8.783 9.626 483 HG LEU 62 HG LEU 62 9.965 6.350 10.087 484 HD11 LEU 62 1HD1 LEU 62 10.006 6.844 12.257 485 HD12 LEU 62 2HD1 LEU 62 8.296 7.274 12.273 486 HD13 LEU 62 3HD1 LEU 62 9.501 8.469 11.794 487 HD21 LEU 62 1HD2 LEU 62 8.109 5.209 9.635 488 HD22 LEU 62 2HD2 LEU 62 7.147 6.683 9.519 489 HD23 LEU 62 3HD2 LEU 62 7.412 5.923 11.089 490 H ASP 63 H ASP 63 10.338 9.949 7.269 491 HA ASP 63 HA ASP 63 8.142 11.103 5.692 492 HB2 ASP 63 1HB ASP 63 7.903 12.433 7.563 493 HB3 ASP 63 2HB ASP 63 9.608 12.320 7.991 494 HA PRO 64 HA PRO 64 11.871 11.084 3.071 495 HB2 PRO 64 1HB PRO 64 10.481 10.962 0.742 496 HB3 PRO 64 2HB PRO 64 10.848 9.534 1.718 497 HG2 PRO 64 1HG PRO 64 8.321 11.133 1.576 498 HG3 PRO 64 2HG PRO 64 8.530 9.373 1.619 499 HD2 PRO 64 1HD PRO 64 7.849 10.813 3.809 500 HD3 PRO 64 2HD PRO 64 8.833 9.338 3.904 501 H GLN 65 H GLN 65 12.523 13.197 3.431 502 HA GLN 65 HA GLN 65 11.082 15.508 2.826 503 HB2 GLN 65 1HB GLN 65 13.284 15.207 4.158 504 HB3 GLN 65 2HB GLN 65 14.074 15.384 2.596 505 HG2 GLN 65 1HG GLN 65 13.848 17.467 4.015 506 HG3 GLN 65 2HG GLN 65 13.322 17.583 2.336 507 HE21 GLN 65 1HE2 GLN 65 11.742 19.035 2.368 508 HE22 GLN 65 2HE2 GLN 65 10.343 18.971 3.380 509 H THR 66 H THR 66 13.197 13.528 0.829 510 HA THR 66 HA THR 66 12.391 15.143 -1.502 511 HB THR 66 HB THR 66 14.524 14.615 -2.571 512 HG1 THR 66 1HG THR 66 15.785 13.121 -1.766 513 HG21 THR 66 1HG2 THR 66 14.696 15.874 0.161 514 HG22 THR 66 2HG2 THR 66 14.522 16.679 -1.398 515 HG23 THR 66 3HG2 THR 66 16.037 15.878 -0.983 516 H GLU 67 H GLU 67 12.652 13.863 -3.596 517 HA GLU 67 HA GLU 67 10.944 11.659 -3.559 518 HB2 GLU 67 1HB GLU 67 11.282 12.998 -5.562 519 HB3 GLU 67 2HB GLU 67 12.960 12.483 -5.655 520 HG2 GLU 67 1HG GLU 67 12.138 10.140 -5.936 521 HG3 GLU 67 2HG GLU 67 10.506 10.795 -6.059 522 H ALA 68 H ALA 68 14.463 11.683 -4.146 523 HA ALA 68 HA ALA 68 15.045 9.071 -4.411 524 HB1 ALA 68 1HB ALA 68 16.788 10.375 -2.435 525 HB2 ALA 68 2HB ALA 68 17.181 9.636 -3.988 526 HB3 ALA 68 3HB ALA 68 16.535 11.276 -3.930 527 H ASP 69 H ASP 69 14.276 10.674 -1.355 528 HA ASP 69 HA ASP 69 14.765 8.425 0.299 529 HB2 ASP 69 1HB ASP 69 13.182 10.961 0.678 530 HB3 ASP 69 2HB ASP 69 13.257 9.719 1.925 531 H CYS 70 H CYS 70 11.911 9.625 -1.380 532 HA CYS 70 HA CYS 70 10.025 7.908 -0.192 533 HB2 CYS 70 1HB CYS 70 10.120 9.445 -2.767 534 HB3 CYS 70 2HB CYS 70 8.799 8.325 -2.459 535 HG CYS 70 HG CYS 70 9.418 11.332 -1.088 536 H ILE 71 H ILE 71 11.541 7.650 -3.413 537 HA ILE 71 HA ILE 71 10.618 5.235 -4.231 538 HB ILE 71 HB ILE 71 13.461 6.215 -4.516 539 HG12 ILE 71 1HG1 ILE 71 11.756 7.775 -5.378 540 HG13 ILE 71 2HG1 ILE 71 12.715 7.077 -6.679 541 HG21 ILE 71 1HG2 ILE 71 12.716 4.670 -6.733 542 HG22 ILE 71 2HG2 ILE 71 13.902 4.271 -5.492 543 HG23 ILE 71 3HG2 ILE 71 12.228 3.749 -5.310 544 HD11 ILE 71 1HD1 ILE 71 10.576 6.978 -7.520 545 HD12 ILE 71 2HD1 ILE 71 10.782 5.363 -6.840 546 HD13 ILE 71 3HD1 ILE 71 9.866 6.583 -5.955 547 H ASN 72 H ASN 72 13.497 5.708 -2.185 548 HA ASN 72 HA ASN 72 14.285 3.106 -1.837 549 HB2 ASN 72 1HB ASN 72 14.419 5.542 -0.121 550 HB3 ASN 72 2HB ASN 72 14.835 3.995 0.610 551 HD21 ASN 72 1HD2 ASN 72 16.542 6.263 0.117 552 HD22 ASN 72 2HD2 ASN 72 17.810 5.713 -0.920 553 H ASN 73 H ASN 73 11.661 4.809 -0.209 554 HA ASN 73 HA ASN 73 11.062 2.841 1.708 555 HB2 ASN 73 1HB ASN 73 9.236 4.874 0.407 556 HB3 ASN 73 2HB ASN 73 8.852 3.951 1.857 557 HD21 ASN 73 1HD2 ASN 73 8.618 6.442 2.309 558 HD22 ASN 73 2HD2 ASN 73 9.979 7.141 3.112 559 H ILE 74 H ILE 74 9.644 3.454 -1.498 560 HA ILE 74 HA ILE 74 7.737 1.476 -1.570 561 HB ILE 74 HB ILE 74 9.514 2.390 -3.834 562 HG12 ILE 74 1HG1 ILE 74 6.667 3.208 -3.292 563 HG13 ILE 74 2HG1 ILE 74 8.022 4.061 -2.561 564 HG21 ILE 74 1HG2 ILE 74 7.086 0.639 -3.775 565 HG22 ILE 74 2HG2 ILE 74 7.463 1.615 -5.194 566 HG23 ILE 74 3HG2 ILE 74 8.611 0.402 -4.629 567 HD11 ILE 74 1HD1 ILE 74 7.068 4.046 -5.349 568 HD12 ILE 74 2HD1 ILE 74 7.787 5.344 -4.396 569 HD13 ILE 74 3HD1 ILE 74 8.814 4.101 -5.110 570 H ASN 75 H ASN 75 11.114 1.163 -2.678 571 HA ASN 75 HA ASN 75 11.059 -1.524 -3.355 572 HB2 ASN 75 1HB ASN 75 13.219 0.346 -2.464 573 HB3 ASN 75 2HB ASN 75 13.585 -1.372 -2.604 574 HD21 ASN 75 1HD2 ASN 75 12.607 1.501 -4.322 575 HD22 ASN 75 2HD2 ASN 75 12.999 0.926 -5.903 576 H ASP 76 H ASP 76 11.860 -0.046 -0.224 577 HA ASP 76 HA ASP 76 12.541 -2.300 1.208 578 HB2 ASP 76 1HB ASP 76 11.282 0.308 1.946 579 HB3 ASP 76 2HB ASP 76 11.359 -0.965 3.162 580 H PHE 77 H PHE 77 9.292 -0.942 0.723 581 HA PHE 77 HA PHE 77 7.865 -2.778 2.256 582 HB2 PHE 77 1HB PHE 77 6.576 -0.979 1.589 583 HB3 PHE 77 2HB PHE 77 7.186 -1.019 -0.062 584 HD1 PHE 77 1HD PHE 77 5.355 -3.360 2.201 585 HD2 PHE 77 2HD PHE 77 5.612 -1.535 -1.635 586 HE1 PHE 77 1HE PHE 77 3.338 -4.577 1.491 587 HE2 PHE 77 2HE PHE 77 3.595 -2.748 -2.351 588 HZ PHE 77 HZ PHE 77 2.455 -4.271 -0.787 589 H LEU 78 H LEU 78 8.627 -2.876 -1.218 590 HA LEU 78 HA LEU 78 7.341 -5.222 -1.898 591 HB2 LEU 78 1HB LEU 78 9.970 -4.154 -2.910 592 HB3 LEU 78 2HB LEU 78 9.055 -5.449 -3.679 593 HG LEU 78 HG LEU 78 7.958 -2.671 -3.293 594 HD11 LEU 78 1HD1 LEU 78 8.644 -2.097 -5.471 595 HD12 LEU 78 2HD1 LEU 78 9.157 -3.744 -5.831 596 HD13 LEU 78 3HD1 LEU 78 10.073 -2.766 -4.684 597 HD21 LEU 78 1HD2 LEU 78 6.145 -3.366 -4.433 598 HD22 LEU 78 2HD2 LEU 78 6.644 -4.959 -3.862 599 HD23 LEU 78 3HD2 LEU 78 7.080 -4.427 -5.487 600 H LYS 79 H LYS 79 10.611 -4.813 -0.582 601 HA LYS 79 HA LYS 79 11.717 -7.246 -0.687 602 HB2 LYS 79 1HB LYS 79 11.533 -5.595 1.840 603 HB3 LYS 79 2HB LYS 79 12.723 -6.851 1.523 604 HG2 LYS 79 1HG LYS 79 13.331 -5.419 -0.543 605 HG3 LYS 79 2HG LYS 79 12.482 -4.130 0.314 606 HD2 LYS 79 1HD LYS 79 14.003 -4.141 2.084 607 HD3 LYS 79 2HD LYS 79 14.608 -5.748 1.675 608 HE2 LYS 79 1HE LYS 79 15.310 -4.538 -0.559 609 HE3 LYS 79 2HE LYS 79 15.248 -3.103 0.463 610 HZ1 LYS 79 1HZ LYS 79 17.241 -5.108 0.331 611 HZ2 LYS 79 2HZ LYS 79 16.624 -5.018 1.903 612 HZ3 LYS 79 3HZ LYS 79 17.265 -3.637 1.165 613 H GLY 80 H GLY 80 8.957 -6.386 1.315 614 HA2 GLY 80 1HA GLY 80 8.887 -9.023 2.545 615 HA3 GLY 80 2HA GLY 80 7.791 -7.689 2.873 616 H CYS 81 H CYS 81 7.056 -7.163 0.169 617 HA CYS 81 HA CYS 81 4.823 -8.732 -0.136 618 HB2 CYS 81 1HB CYS 81 4.516 -7.728 -2.229 619 HB3 CYS 81 2HB CYS 81 5.493 -6.557 -1.351 620 HG CYS 81 HG CYS 81 7.876 -7.903 -2.595 621 H ALA 82 H ALA 82 8.079 -9.328 -1.294 622 HA ALA 82 HA ALA 82 7.615 -11.361 -3.125 623 HB1 ALA 82 1HB ALA 82 9.950 -12.140 -1.918 624 HB2 ALA 82 2HB ALA 82 9.812 -10.962 -3.223 625 HB3 ALA 82 3HB ALA 82 9.879 -10.417 -1.547 626 H THR 83 H THR 83 7.981 -11.555 0.396 627 HA THR 83 HA THR 83 8.034 -14.277 0.769 628 HB THR 83 HB THR 83 6.538 -12.280 2.479 629 HG1 THR 83 1HG THR 83 8.891 -11.968 2.032 630 HG21 THR 83 1HG2 THR 83 7.597 -14.254 4.103 631 HG22 THR 83 2HG2 THR 83 6.982 -15.146 2.711 632 HG23 THR 83 3HG2 THR 83 5.906 -14.093 3.630 633 H LEU 84 H LEU 84 5.226 -12.214 0.186 634 HA LEU 84 HA LEU 84 3.301 -14.285 0.544 635 HB2 LEU 84 1HB LEU 84 3.075 -11.661 -0.922 636 HB3 LEU 84 2HB LEU 84 1.728 -12.705 -0.476 637 HG LEU 84 HG LEU 84 3.550 -11.557 1.612 638 HD11 LEU 84 1HD1 LEU 84 1.096 -10.091 1.351 639 HD12 LEU 84 2HD1 LEU 84 2.023 -10.005 -0.146 640 HD13 LEU 84 3HD1 LEU 84 2.758 -9.500 1.375 641 HD21 LEU 84 1HD2 LEU 84 1.929 -13.412 2.111 642 HD22 LEU 84 2HD2 LEU 84 0.630 -12.282 1.729 643 HD23 LEU 84 3HD2 LEU 84 1.721 -11.950 3.075 644 H GLN 85 H GLN 85 5.245 -13.185 -2.116 645 HA GLN 85 HA GLN 85 5.555 -13.976 -4.226 646 HB2 GLN 85 1HB GLN 85 4.022 -16.368 -3.191 647 HB3 GLN 85 2HB GLN 85 4.951 -16.320 -4.684 648 HG2 GLN 85 1HG GLN 85 6.941 -15.701 -3.191 649 HG3 GLN 85 2HG GLN 85 5.934 -16.265 -1.858 650 HE21 GLN 85 1HE2 GLN 85 7.898 -17.724 -1.769 651 HE22 GLN 85 2HE2 GLN 85 7.790 -19.214 -2.636 652 H VAL 86 H VAL 86 3.576 -12.160 -4.035 653 HA VAL 86 HA VAL 86 1.466 -13.220 -5.802 654 HB VAL 86 HB VAL 86 0.009 -11.401 -4.972 655 HG11 VAL 86 1HG1 VAL 86 -0.294 -13.547 -3.990 656 HG12 VAL 86 2HG1 VAL 86 1.108 -13.333 -2.939 657 HG13 VAL 86 3HG1 VAL 86 -0.345 -12.366 -2.682 658 HG21 VAL 86 1HG2 VAL 86 1.023 -10.617 -2.573 659 HG22 VAL 86 2HG2 VAL 86 2.479 -10.664 -3.568 660 HG23 VAL 86 3HG2 VAL 86 1.109 -9.667 -4.057 661 H GLU 87 H GLU 87 0.367 -11.155 -6.924 662 HA GLU 87 HA GLU 87 2.144 -10.277 -8.872 663 HB2 GLU 87 1HB GLU 87 -0.518 -9.175 -7.980 664 HB3 GLU 87 2HB GLU 87 0.357 -8.536 -9.364 665 HG2 GLU 87 1HG GLU 87 0.370 -11.019 -10.149 666 HG3 GLU 87 2HG GLU 87 -0.977 -11.178 -9.022 667 H ILE 88 H ILE 88 3.605 -8.698 -8.979 668 HA ILE 88 HA ILE 88 3.554 -6.608 -6.900 669 HB ILE 88 HB ILE 88 6.064 -6.556 -7.123 670 HG12 ILE 88 1HG1 ILE 88 5.838 -9.341 -8.223 671 HG13 ILE 88 2HG1 ILE 88 5.892 -7.959 -9.312 672 HG21 ILE 88 1HG2 ILE 88 4.718 -9.018 -6.028 673 HG22 ILE 88 2HG2 ILE 88 6.390 -8.575 -5.689 674 HG23 ILE 88 3HG2 ILE 88 5.077 -7.518 -5.172 675 HD11 ILE 88 1HD1 ILE 88 7.988 -7.622 -7.467 676 HD12 ILE 88 2HD1 ILE 88 8.032 -9.302 -8.004 677 HD13 ILE 88 3HD1 ILE 88 8.094 -7.996 -9.187 678 H PHE 89 H PHE 89 5.355 -4.866 -7.684 679 HA PHE 89 HA PHE 89 5.132 -4.317 -10.523 680 HB2 PHE 89 1HB PHE 89 4.237 -1.997 -10.061 681 HB3 PHE 89 2HB PHE 89 3.086 -3.309 -9.825 682 HD1 PHE 89 1HD PHE 89 5.378 -1.015 -8.037 683 HD2 PHE 89 2HD PHE 89 2.020 -3.618 -7.767 684 HE1 PHE 89 1HE PHE 89 4.948 -0.218 -5.749 685 HE2 PHE 89 2HE PHE 89 1.585 -2.824 -5.479 686 HZ PHE 89 HZ PHE 89 3.049 -1.121 -4.467 687 H ASP 90 H ASP 90 6.086 -1.900 -10.809 688 HA ASP 90 HA ASP 90 8.689 -2.002 -9.463 689 HB2 ASP 90 1HB ASP 90 7.742 -1.005 -12.107 690 HB3 ASP 90 2HB ASP 90 9.125 -0.198 -11.372 691 HA PRO 91 HA PRO 91 8.095 1.700 -7.189 692 HB2 PRO 91 1HB PRO 91 10.511 2.919 -7.409 693 HB3 PRO 91 2HB PRO 91 10.252 1.469 -6.431 694 HG2 PRO 91 1HG PRO 91 11.387 1.714 -9.190 695 HG3 PRO 91 2HG PRO 91 11.943 0.713 -7.837 696 HD2 PRO 91 1HD PRO 91 10.469 -0.285 -9.877 697 HD3 PRO 91 2HD PRO 91 10.352 -0.911 -8.220 698 H ASP 92 H ASP 92 8.500 1.769 -10.513 699 HA ASP 92 HA ASP 92 8.371 4.680 -10.724 700 HB2 ASP 92 1HB ASP 92 8.661 2.494 -12.788 701 HB3 ASP 92 2HB ASP 92 8.453 4.193 -13.207 702 H ASP 93 H ASP 93 6.496 1.812 -11.653 703 HA ASP 93 HA ASP 93 4.342 3.096 -12.857 704 HB2 ASP 93 1HB ASP 93 3.310 1.051 -12.858 705 HB3 ASP 93 2HB ASP 93 4.955 0.530 -12.506 706 H LEU 94 H LEU 94 4.976 2.432 -9.453 707 HA LEU 94 HA LEU 94 2.428 3.319 -8.529 708 HB2 LEU 94 1HB LEU 94 3.554 1.855 -7.098 709 HB3 LEU 94 2HB LEU 94 5.062 2.758 -7.215 710 HG LEU 94 HG LEU 94 4.133 4.528 -5.828 711 HD11 LEU 94 1HD1 LEU 94 1.691 3.637 -6.659 712 HD12 LEU 94 2HD1 LEU 94 1.966 4.762 -5.330 713 HD13 LEU 94 3HD1 LEU 94 1.757 3.042 -5.000 714 HD21 LEU 94 1HD2 LEU 94 5.007 2.131 -4.974 715 HD22 LEU 94 2HD2 LEU 94 3.409 2.159 -4.228 716 HD23 LEU 94 3HD2 LEU 94 4.563 3.452 -3.893 717 H TYR 95 H TYR 95 5.675 4.787 -8.378 718 HA TYR 95 HA TYR 95 4.841 7.254 -7.333 719 HB2 TYR 95 1HB TYR 95 7.221 6.275 -7.532 720 HB3 TYR 95 2HB TYR 95 7.219 6.961 -9.153 721 HD1 TYR 95 1HD TYR 95 6.478 9.514 -9.244 722 HD2 TYR 95 2HD TYR 95 8.066 7.562 -5.813 723 HE1 TYR 95 1HE TYR 95 7.160 11.692 -8.328 724 HE2 TYR 95 2HE TYR 95 8.751 9.735 -4.887 725 HH TYR 95 HH TYR 95 8.780 11.932 -5.174 726 H SER 96 H SER 96 5.901 6.589 -10.676 727 HA SER 96 HA SER 96 5.004 9.001 -11.759 728 HB2 SER 96 1HB SER 96 5.235 6.342 -13.188 729 HB3 SER 96 2HB SER 96 5.247 7.939 -13.937 730 HG SER 96 HG SER 96 7.338 7.664 -13.712 731 H GLY 97 H GLY 97 3.411 5.817 -11.705 732 HA2 GLY 97 1HA GLY 97 1.083 5.526 -11.352 733 HA3 GLY 97 2HA GLY 97 0.825 7.189 -11.859 734 H VAL 98 H VAL 98 2.777 4.846 -13.606 735 HA VAL 98 HA VAL 98 1.260 5.312 -16.005 736 HB VAL 98 HB VAL 98 3.532 3.387 -15.490 737 HG11 VAL 98 1HG1 VAL 98 1.920 4.028 -17.896 738 HG12 VAL 98 2HG1 VAL 98 3.656 3.794 -18.111 739 HG13 VAL 98 3HG1 VAL 98 2.672 2.510 -17.407 740 HG21 VAL 98 1HG2 VAL 98 4.327 5.487 -17.171 741 HG22 VAL 98 2HG2 VAL 98 3.455 6.237 -15.834 742 HG23 VAL 98 3HG2 VAL 98 4.835 5.188 -15.509 743 H ASN 99 H ASN 99 1.918 2.472 -13.960 744 HA ASN 99 HA ASN 99 -0.520 1.237 -15.062 745 HB2 ASN 99 1HB ASN 99 2.146 -0.003 -14.414 746 HB3 ASN 99 2HB ASN 99 0.678 -0.973 -14.482 747 HD21 ASN 99 1HD2 ASN 99 3.089 -1.007 -16.156 748 HD22 ASN 99 2HD2 ASN 99 2.534 -0.785 -17.777 749 H PHE 100 H PHE 100 -1.668 2.223 -13.300 750 HA PHE 100 HA PHE 100 -1.005 1.600 -10.587 751 HB2 PHE 100 1HB PHE 100 -2.287 3.637 -11.336 752 HB3 PHE 100 2HB PHE 100 -3.659 2.579 -11.648 753 HD1 PHE 100 2HD PHE 100 -1.216 3.150 -8.880 754 HD2 PHE 100 1HD PHE 100 -5.273 2.574 -10.032 755 HE1 PHE 100 2HE PHE 100 -1.910 3.365 -6.530 756 HE2 PHE 100 1HE PHE 100 -5.974 2.789 -7.683 757 HZ PHE 100 HZ PHE 100 -4.291 3.184 -5.928 758 H SER 101 H SER 101 -3.269 0.327 -12.973 759 HA SER 101 HA SER 101 -4.915 -1.273 -11.549 760 HB2 SER 101 1HB SER 101 -3.467 -1.985 -14.109 761 HB3 SER 101 2HB SER 101 -4.839 -2.887 -13.465 762 HG SER 101 HG SER 101 -6.152 -1.350 -14.088 763 H LYS 102 H LYS 102 -1.509 -1.863 -12.195 764 HA LYS 102 HA LYS 102 -1.467 -4.500 -11.110 765 HB2 LYS 102 1HB LYS 102 0.696 -2.497 -11.740 766 HB3 LYS 102 2HB LYS 102 1.048 -4.076 -11.051 767 HG2 LYS 102 1HG LYS 102 0.268 -5.201 -12.966 768 HG3 LYS 102 2HG LYS 102 -0.504 -3.746 -13.599 769 HD2 LYS 102 1HD LYS 102 1.444 -3.944 -14.871 770 HD3 LYS 102 2HD LYS 102 1.865 -2.751 -13.641 771 HE2 LYS 102 1HE LYS 102 3.127 -4.314 -12.412 772 HE3 LYS 102 2HE LYS 102 2.440 -5.679 -13.290 773 HZ1 LYS 102 1HZ LYS 102 4.332 -5.549 -14.455 774 HZ2 LYS 102 2HZ LYS 102 4.645 -3.951 -14.000 775 HZ3 LYS 102 3HZ LYS 102 3.574 -4.274 -15.269 776 H VAL 103 H VAL 103 -0.555 -1.307 -9.853 777 HA VAL 103 HA VAL 103 0.374 -2.154 -7.347 778 HB VAL 103 HB VAL 103 -0.965 0.475 -7.998 779 HG11 VAL 103 1HG1 VAL 103 -0.012 -0.581 -5.559 780 HG12 VAL 103 2HG1 VAL 103 1.132 0.661 -6.073 781 HG13 VAL 103 3HG1 VAL 103 -0.578 1.055 -5.892 782 HG21 VAL 103 1HG2 VAL 103 1.814 -0.541 -8.436 783 HG22 VAL 103 2HG2 VAL 103 0.776 0.383 -9.523 784 HG23 VAL 103 3HG2 VAL 103 1.532 1.175 -8.141 785 H LEU 104 H LEU 104 -2.859 -1.524 -8.538 786 HA LEU 104 HA LEU 104 -4.098 -1.587 -5.951 787 HB2 LEU 104 1HB LEU 104 -5.016 -0.387 -7.937 788 HB3 LEU 104 2HB LEU 104 -5.376 -1.956 -8.655 789 HG LEU 104 HG LEU 104 -6.923 -2.425 -6.793 790 HD11 LEU 104 1HD1 LEU 104 -6.038 0.301 -5.914 791 HD12 LEU 104 2HD1 LEU 104 -6.124 -1.193 -4.981 792 HD13 LEU 104 3HD1 LEU 104 -7.605 -0.356 -5.445 793 HD21 LEU 104 1HD2 LEU 104 -7.406 0.121 -8.333 794 HD22 LEU 104 2HD2 LEU 104 -8.649 -0.762 -7.448 795 HD23 LEU 104 3HD2 LEU 104 -7.837 -1.518 -8.819 796 H SER 105 H SER 105 -3.832 -3.855 -8.671 797 HA SER 105 HA SER 105 -5.328 -5.930 -7.470 798 HB2 SER 105 1HB SER 105 -4.481 -7.342 -9.233 799 HB3 SER 105 2HB SER 105 -4.803 -5.749 -9.917 800 HG SER 105 HG SER 105 -2.261 -6.667 -9.046 801 H THR 106 H THR 106 -2.009 -4.931 -7.202 802 HA THR 106 HA THR 106 -0.933 -7.321 -6.147 803 HB THR 106 HB THR 106 -0.046 -4.449 -5.869 804 HG1 THR 106 1HG THR 106 1.699 -5.537 -7.241 805 HG21 THR 106 1HG2 THR 106 2.179 -5.837 -5.300 806 HG22 THR 106 2HG2 THR 106 0.977 -6.918 -4.596 807 HG23 THR 106 3HG2 THR 106 1.077 -5.241 -4.060 808 H LEU 107 H LEU 107 -2.012 -4.341 -4.512 809 HA LEU 107 HA LEU 107 -1.668 -5.333 -1.894 810 HB2 LEU 107 1HB LEU 107 -3.324 -3.097 -3.028 811 HB3 LEU 107 2HB LEU 107 -3.284 -3.458 -1.304 812 HG LEU 107 HG LEU 107 -0.842 -2.752 -2.924 813 HD11 LEU 107 1HD1 LEU 107 -2.111 -0.863 -1.006 814 HD12 LEU 107 2HD1 LEU 107 -2.771 -0.994 -2.636 815 HD13 LEU 107 3HD1 LEU 107 -1.084 -0.538 -2.403 816 HD21 LEU 107 1HD2 LEU 107 -1.011 -2.349 -0.002 817 HD22 LEU 107 2HD2 LEU 107 0.344 -2.874 -1.002 818 HD23 LEU 107 3HD2 LEU 107 -0.924 -4.019 -0.563 819 H LEU 108 H LEU 108 -4.177 -5.735 -4.234 820 HA LEU 108 HA LEU 108 -6.314 -6.383 -2.511 821 HB2 LEU 108 1HB LEU 108 -5.680 -6.808 -5.378 822 HB3 LEU 108 2HB LEU 108 -6.955 -7.798 -4.670 823 HG LEU 108 HG LEU 108 -6.936 -4.782 -4.630 824 HD11 LEU 108 1HD1 LEU 108 -7.998 -6.740 -6.614 825 HD12 LEU 108 2HD1 LEU 108 -7.199 -5.191 -6.878 826 HD13 LEU 108 3HD1 LEU 108 -8.870 -5.236 -6.316 827 HD21 LEU 108 1HD2 LEU 108 -8.942 -4.873 -3.581 828 HD22 LEU 108 2HD2 LEU 108 -8.282 -6.393 -2.977 829 HD23 LEU 108 3HD2 LEU 108 -9.398 -6.396 -4.343 830 H ALA 109 H ALA 109 -3.886 -8.403 -4.131 831 HA ALA 109 HA ALA 109 -4.859 -10.881 -3.206 832 HB1 ALA 109 1HB ALA 109 -2.208 -9.961 -4.256 833 HB2 ALA 109 2HB ALA 109 -2.429 -11.606 -3.658 834 HB3 ALA 109 3HB ALA 109 -3.399 -11.022 -5.010 835 H VAL 110 H VAL 110 -2.203 -8.835 -1.996 836 HA VAL 110 HA VAL 110 -1.339 -10.345 0.122 837 HB VAL 110 HB VAL 110 -1.665 -7.341 0.100 838 HG11 VAL 110 1HG1 VAL 110 -0.950 -7.428 2.205 839 HG12 VAL 110 2HG1 VAL 110 -0.677 -9.168 2.106 840 HG13 VAL 110 3HG1 VAL 110 0.581 -8.046 1.586 841 HG21 VAL 110 1HG2 VAL 110 0.911 -7.672 -0.404 842 HG22 VAL 110 2HG2 VAL 110 0.337 -9.198 -1.077 843 HG23 VAL 110 3HG2 VAL 110 -0.290 -7.670 -1.695 844 H ASN 111 H ASN 111 -3.983 -7.960 0.175 845 HA ASN 111 HA ASN 111 -4.703 -8.188 2.840 846 HB2 ASN 111 1HB ASN 111 -5.822 -6.467 1.802 847 HB3 ASN 111 2HB ASN 111 -6.143 -7.408 0.348 848 HD21 ASN 111 1HD2 ASN 111 -7.254 -6.508 3.475 849 HD22 ASN 111 2HD2 ASN 111 -8.798 -7.277 3.387 850 H LYS 112 H LYS 112 -5.719 -10.148 0.074 851 HA LYS 112 HA LYS 112 -7.602 -11.728 1.464 852 HB2 LYS 112 1HB LYS 112 -6.070 -12.073 -1.095 853 HB3 LYS 112 2HB LYS 112 -7.068 -13.380 -0.472 854 HG2 LYS 112 1HG LYS 112 -8.116 -10.605 -0.962 855 HG3 LYS 112 2HG LYS 112 -8.151 -11.886 -2.176 856 HD2 LYS 112 1HD LYS 112 -9.293 -12.353 0.552 857 HD3 LYS 112 2HD LYS 112 -10.232 -11.497 -0.673 858 HE2 LYS 112 1HE LYS 112 -10.877 -13.727 -0.921 859 HE3 LYS 112 2HE LYS 112 -9.686 -13.484 -2.199 860 HZ1 LYS 112 1HZ LYS 112 -8.272 -14.923 -1.262 861 HZ2 LYS 112 2HZ LYS 112 -9.629 -15.502 -0.435 862 HZ3 LYS 112 3HZ LYS 112 -8.590 -14.397 0.314 863 H ALA 113 H ALA 113 -4.213 -12.371 0.574 864 HA ALA 113 HA ALA 113 -3.977 -14.887 1.739 865 HB1 ALA 113 1HB ALA 113 -2.314 -13.848 0.225 866 HB2 ALA 113 2HB ALA 113 -1.804 -12.806 1.554 867 HB3 ALA 113 3HB ALA 113 -1.596 -14.553 1.673 868 H THR 114 H THR 114 -3.401 -11.684 3.154 869 HA THR 114 HA THR 114 -2.600 -12.678 5.698 870 HB THR 114 HB THR 114 -2.882 -10.358 6.485 871 HG1 THR 114 1HG THR 114 -4.070 -10.045 3.924 872 HG21 THR 114 1HG2 THR 114 -0.881 -11.175 5.103 873 HG22 THR 114 2HG2 THR 114 -1.110 -9.432 5.254 874 HG23 THR 114 3HG2 THR 114 -1.591 -10.261 3.773 875 H GLU 115 H GLU 115 -5.663 -11.530 4.358 876 HA GLU 115 HA GLU 115 -7.060 -11.785 6.860 877 HB2 GLU 115 1HB GLU 115 -7.867 -10.117 5.362 878 HB3 GLU 115 2HB GLU 115 -7.967 -11.263 4.032 879 HG2 GLU 115 1HG GLU 115 -10.171 -10.997 4.674 880 HG3 GLU 115 2HG GLU 115 -9.693 -12.487 5.486 881 H SER 116 H SER 116 -8.074 -13.519 7.646 882 HA SER 116 HA SER 116 -8.340 -15.871 5.890 883 HB2 SER 116 1HB SER 116 -6.738 -15.877 7.968 884 HB3 SER 116 2HB SER 116 -8.232 -16.101 8.878 885 HG SER 116 HG SER 116 -7.597 -17.725 6.658 886 H GLY 117 H GLY 117 -10.129 -17.343 6.416 887 HA2 GLY 117 1HA GLY 117 -12.602 -16.114 6.385 888 HA3 GLY 117 2HA GLY 117 -12.342 -17.791 6.843 889 HA PRO 118 HA PRO 118 -13.417 -16.991 11.012 890 HB2 PRO 118 1HB PRO 118 -11.503 -18.256 12.463 891 HB3 PRO 118 2HB PRO 118 -12.743 -19.121 11.548 892 HG2 PRO 118 1HG PRO 118 -9.899 -18.547 10.809 893 HG3 PRO 118 2HG PRO 118 -10.827 -20.044 10.607 894 HD2 PRO 118 1HD PRO 118 -10.400 -18.310 8.573 895 HD3 PRO 118 2HD PRO 118 -11.878 -19.284 8.702 896 H SER 119 H SER 119 -13.207 -15.421 12.517 897 HA SER 119 HA SER 119 -11.536 -13.273 12.225 898 HB2 SER 119 1HB SER 119 -12.069 -12.720 14.605 899 HB3 SER 119 2HB SER 119 -13.488 -13.152 13.651 900 HG SER 119 HG SER 119 -13.741 -14.918 14.801 901 H SER 120 H SER 120 -11.082 -15.966 14.514 902 HA SER 120 HA SER 120 -8.317 -15.094 14.937 903 HB2 SER 120 1HB SER 120 -9.883 -17.225 16.410 904 HB3 SER 120 2HB SER 120 -8.309 -16.574 16.867 905 HG SER 120 HG SER 120 -9.519 -14.469 16.884 906 H GLY 121 H GLY 121 -8.788 -16.148 12.432 907 HA2 GLY 121 1HA GLY 121 -8.342 -18.933 12.230 908 HA3 GLY 121 2HA GLY 121 -8.058 -17.753 10.960 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -30.946 -4.297 -3.652 2 HA2 GLY 1 1HA GLY 1 -29.392 -6.251 -2.451 3 HA3 GLY 1 2HA GLY 1 -29.053 -5.542 -4.023 4 H SER 2 H SER 2 -26.805 -5.996 -3.316 5 HA SER 2 HA SER 2 -25.777 -3.779 -1.669 6 HB2 SER 2 1HB SER 2 -23.910 -5.263 -1.014 7 HB3 SER 2 2HB SER 2 -25.471 -5.913 -0.513 8 HG SER 2 HG SER 2 -25.214 -7.547 -1.825 9 H SER 3 H SER 3 -24.511 -2.399 -2.710 10 HA SER 3 HA SER 3 -23.868 -2.651 -5.429 11 HB2 SER 3 1HB SER 3 -22.583 -0.844 -3.366 12 HB3 SER 3 2HB SER 3 -22.511 -0.633 -5.116 13 HG SER 3 HG SER 3 -24.141 0.660 -4.185 14 H GLY 4 H GLY 4 -21.768 -2.781 -6.437 15 HA2 GLY 4 1HA GLY 4 -19.853 -4.381 -4.853 16 HA3 GLY 4 2HA GLY 4 -20.215 -4.720 -6.539 17 H SER 5 H SER 5 -18.481 -2.688 -4.325 18 HA SER 5 HA SER 5 -17.576 -0.691 -6.047 19 HB2 SER 5 1HB SER 5 -15.672 -0.456 -4.463 20 HB3 SER 5 2HB SER 5 -17.231 -0.548 -3.644 21 HG SER 5 HG SER 5 -15.184 -2.002 -3.114 22 H SER 6 H SER 6 -15.104 -0.501 -6.558 23 HA SER 6 HA SER 6 -14.492 -2.743 -8.312 24 HB2 SER 6 1HB SER 6 -13.522 0.092 -8.101 25 HB3 SER 6 2HB SER 6 -12.596 -1.097 -9.017 26 HG SER 6 HG SER 6 -14.822 -1.517 -10.000 27 H GLY 7 H GLY 7 -12.953 -0.888 -5.704 28 HA2 GLY 7 1HA GLY 7 -11.785 -2.860 -4.293 29 HA3 GLY 7 2HA GLY 7 -10.675 -2.679 -5.643 30 H GLU 8 H GLU 8 -11.262 0.239 -5.795 31 HA GLU 8 HA GLU 8 -9.112 1.234 -4.399 32 HB2 GLU 8 1HB GLU 8 -11.632 2.766 -5.061 33 HB3 GLU 8 2HB GLU 8 -10.041 3.453 -4.765 34 HG2 GLU 8 1HG GLU 8 -10.732 1.613 -7.043 35 HG3 GLU 8 2HG GLU 8 -10.620 3.369 -7.149 36 H GLU 9 H GLU 9 -12.528 1.620 -3.437 37 HA GLU 9 HA GLU 9 -12.072 2.765 -0.949 38 HB2 GLU 9 1HB GLU 9 -14.285 2.355 -2.274 39 HB3 GLU 9 2HB GLU 9 -14.344 0.853 -1.363 40 HG2 GLU 9 1HG GLU 9 -14.234 2.149 0.729 41 HG3 GLU 9 2HG GLU 9 -14.266 3.635 -0.219 42 H GLN 10 H GLN 10 -12.333 -0.655 -1.835 43 HA GLN 10 HA GLN 10 -12.301 -1.824 0.659 44 HB2 GLN 10 1HB GLN 10 -11.206 -2.679 -1.997 45 HB3 GLN 10 2HB GLN 10 -10.935 -3.676 -0.574 46 HG2 GLN 10 1HG GLN 10 -13.452 -3.602 -0.236 47 HG3 GLN 10 2HG GLN 10 -13.538 -2.950 -1.871 48 HE21 GLN 10 1HE2 GLN 10 -13.085 -5.737 0.066 49 HE22 GLN 10 2HE2 GLN 10 -12.943 -6.884 -1.219 50 H ILE 11 H ILE 11 -9.471 -0.984 -1.336 51 HA ILE 11 HA ILE 11 -7.522 -1.763 0.521 52 HB ILE 11 HB ILE 11 -7.335 0.395 -1.585 53 HG12 ILE 11 1HG1 ILE 11 -7.960 -2.004 -2.274 54 HG13 ILE 11 2HG1 ILE 11 -6.593 -1.254 -3.090 55 HG21 ILE 11 1HG2 ILE 11 -5.225 -1.039 0.012 56 HG22 ILE 11 2HG2 ILE 11 -4.883 -0.135 -1.462 57 HG23 ILE 11 3HG2 ILE 11 -5.544 0.694 -0.053 58 HD11 ILE 11 1HD1 ILE 11 -6.542 -3.727 -2.071 59 HD12 ILE 11 2HD1 ILE 11 -5.112 -2.706 -2.219 60 HD13 ILE 11 3HD1 ILE 11 -5.959 -2.818 -0.677 61 H VAL 12 H VAL 12 -8.872 1.469 -0.136 62 HA VAL 12 HA VAL 12 -7.466 2.971 1.676 63 HB VAL 12 HB VAL 12 -10.415 3.247 1.076 64 HG11 VAL 12 1HG1 VAL 12 -8.633 5.537 1.749 65 HG12 VAL 12 2HG1 VAL 12 -10.372 5.352 1.984 66 HG13 VAL 12 3HG1 VAL 12 -9.242 4.520 3.054 67 HG21 VAL 12 1HG2 VAL 12 -9.818 3.809 -0.988 68 HG22 VAL 12 2HG2 VAL 12 -8.853 5.132 -0.334 69 HG23 VAL 12 3HG2 VAL 12 -8.119 3.550 -0.593 70 H THR 13 H THR 13 -10.676 1.562 2.350 71 HA THR 13 HA THR 13 -10.710 2.099 5.080 72 HB THR 13 HB THR 13 -12.028 -0.209 3.635 73 HG1 THR 13 1HG THR 13 -13.144 1.396 2.820 74 HG21 THR 13 1HG2 THR 13 -12.414 -0.866 5.771 75 HG22 THR 13 2HG2 THR 13 -13.674 0.365 5.685 76 HG23 THR 13 3HG2 THR 13 -12.122 0.743 6.431 77 H TRP 14 H TRP 14 -9.367 -0.640 3.319 78 HA TRP 14 HA TRP 14 -8.870 -2.352 5.466 79 HB2 TRP 14 1HB TRP 14 -8.644 -3.103 3.168 80 HB3 TRP 14 2HB TRP 14 -7.314 -1.980 2.898 81 HD1 TRP 14 HD TRP 14 -7.631 -4.299 5.966 82 HE1 TRP 14 1HE TRP 14 -5.610 -5.893 5.979 83 HE3 TRP 14 3HE TRP 14 -5.526 -2.977 1.499 84 HZ2 TRP 14 2HZ TRP 14 -3.414 -6.508 4.316 85 HZ3 TRP 14 3HZ TRP 14 -3.466 -4.116 0.783 86 HH2 TRP 14 HH TRP 14 -2.433 -5.844 2.164 87 H LEU 15 H LEU 15 -6.504 -0.200 3.874 88 HA LEU 15 HA LEU 15 -4.390 -0.476 5.566 89 HB2 LEU 15 1HB LEU 15 -5.367 2.091 4.325 90 HB3 LEU 15 2HB LEU 15 -3.752 1.830 4.981 91 HG LEU 15 HG LEU 15 -4.820 0.157 2.727 92 HD11 LEU 15 1HD1 LEU 15 -5.033 2.435 1.974 93 HD12 LEU 15 2HD1 LEU 15 -3.637 1.693 1.195 94 HD13 LEU 15 3HD1 LEU 15 -3.405 2.812 2.538 95 HD21 LEU 15 1HD2 LEU 15 -2.719 -0.371 4.151 96 HD22 LEU 15 2HD2 LEU 15 -1.977 0.940 3.234 97 HD23 LEU 15 3HD2 LEU 15 -2.617 -0.472 2.393 98 H ILE 16 H ILE 16 -6.787 2.148 5.904 99 HA ILE 16 HA ILE 16 -5.997 3.157 8.325 100 HB ILE 16 HB ILE 16 -8.847 2.832 7.380 101 HG12 ILE 16 1HG1 ILE 16 -7.150 5.305 7.151 102 HG13 ILE 16 2HG1 ILE 16 -7.109 4.059 5.909 103 HG21 ILE 16 1HG2 ILE 16 -7.609 4.413 9.599 104 HG22 ILE 16 2HG2 ILE 16 -9.091 4.962 8.818 105 HG23 ILE 16 3HG2 ILE 16 -9.048 3.394 9.623 106 HD11 ILE 16 1HD1 ILE 16 -9.041 4.726 5.037 107 HD12 ILE 16 2HD1 ILE 16 -9.809 4.865 6.619 108 HD13 ILE 16 3HD1 ILE 16 -8.823 6.189 5.998 109 H SER 17 H SER 17 -8.388 0.562 7.825 110 HA SER 17 HA SER 17 -9.059 0.012 10.425 111 HB2 SER 17 1HB SER 17 -8.729 -1.817 8.052 112 HB3 SER 17 2HB SER 17 -9.303 -2.414 9.609 113 HG SER 17 HG SER 17 -10.558 -0.765 7.757 114 H LEU 18 H LEU 18 -6.185 -1.036 8.667 115 HA LEU 18 HA LEU 18 -5.204 -2.712 10.759 116 HB2 LEU 18 1HB LEU 18 -3.998 -1.551 8.271 117 HB3 LEU 18 2HB LEU 18 -3.022 -2.456 9.427 118 HG LEU 18 HG LEU 18 -5.410 -3.527 7.924 119 HD11 LEU 18 1HD1 LEU 18 -2.465 -4.064 7.570 120 HD12 LEU 18 2HD1 LEU 18 -3.485 -3.133 6.474 121 HD13 LEU 18 3HD1 LEU 18 -3.778 -4.857 6.700 122 HD21 LEU 18 1HD2 LEU 18 -5.419 -5.227 9.346 123 HD22 LEU 18 2HD2 LEU 18 -4.205 -4.399 10.320 124 HD23 LEU 18 3HD2 LEU 18 -3.705 -5.519 9.052 125 H GLY 19 H GLY 19 -4.808 0.659 9.881 126 HA2 GLY 19 1HA GLY 19 -4.295 2.299 11.547 127 HA3 GLY 19 2HA GLY 19 -3.391 1.074 12.424 128 H VAL 20 H VAL 20 -3.196 1.875 8.983 129 HA VAL 20 HA VAL 20 -0.460 2.866 9.433 130 HB VAL 20 HB VAL 20 0.221 1.788 7.301 131 HG11 VAL 20 1HG1 VAL 20 0.226 0.743 9.765 132 HG12 VAL 20 2HG1 VAL 20 -0.749 -0.475 8.940 133 HG13 VAL 20 3HG1 VAL 20 0.876 -0.104 8.361 134 HG21 VAL 20 1HG2 VAL 20 -2.598 0.833 7.415 135 HG22 VAL 20 2HG2 VAL 20 -1.644 1.372 6.033 136 HG23 VAL 20 3HG2 VAL 20 -1.369 -0.227 6.723 137 H LEU 21 H LEU 21 -3.463 3.612 8.378 138 HA LEU 21 HA LEU 21 -2.428 5.711 6.606 139 HB2 LEU 21 1HB LEU 21 -3.353 4.029 5.155 140 HB3 LEU 21 2HB LEU 21 -4.835 3.970 6.107 141 HG LEU 21 HG LEU 21 -5.220 6.375 5.412 142 HD11 LEU 21 1HD1 LEU 21 -2.757 6.568 4.665 143 HD12 LEU 21 2HD1 LEU 21 -4.006 7.338 3.687 144 HD13 LEU 21 3HD1 LEU 21 -3.313 5.798 3.179 145 HD21 LEU 21 1HD2 LEU 21 -5.962 4.026 4.268 146 HD22 LEU 21 2HD2 LEU 21 -5.217 4.856 2.901 147 HD23 LEU 21 3HD2 LEU 21 -6.551 5.613 3.773 148 H GLU 22 H GLU 22 -3.765 7.609 6.481 149 HA GLU 22 HA GLU 22 -5.075 8.165 9.002 150 HB2 GLU 22 1HB GLU 22 -4.461 9.912 6.615 151 HB3 GLU 22 2HB GLU 22 -5.238 10.490 8.082 152 HG2 GLU 22 1HG GLU 22 -3.055 11.066 8.461 153 HG3 GLU 22 2HG GLU 22 -3.146 9.499 9.263 154 H SER 23 H SER 23 -7.203 8.941 9.228 155 HA SER 23 HA SER 23 -9.007 8.045 7.085 156 HB2 SER 23 1HB SER 23 -9.059 7.146 9.569 157 HB3 SER 23 2HB SER 23 -9.979 8.624 9.855 158 HG SER 23 HG SER 23 -11.538 7.286 9.258 159 HA PRO 24 HA PRO 24 -9.490 12.548 6.702 160 HB2 PRO 24 1HB PRO 24 -10.432 12.434 4.158 161 HB3 PRO 24 2HB PRO 24 -8.709 12.378 4.548 162 HG2 PRO 24 1HG PRO 24 -10.581 10.131 3.907 163 HG3 PRO 24 2HG PRO 24 -8.919 10.396 3.349 164 HD2 PRO 24 1HD PRO 24 -9.527 8.678 5.352 165 HD3 PRO 24 2HD PRO 24 -8.001 9.583 5.301 166 H LYS 25 H LYS 25 -11.213 13.272 7.792 167 HA LYS 25 HA LYS 25 -13.665 12.127 8.135 168 HB2 LYS 25 1HB LYS 25 -12.571 14.369 9.057 169 HB3 LYS 25 2HB LYS 25 -13.606 15.092 7.833 170 HG2 LYS 25 1HG LYS 25 -14.749 13.136 9.776 171 HG3 LYS 25 2HG LYS 25 -14.471 14.810 10.261 172 HD2 LYS 25 1HD LYS 25 -16.594 15.026 9.468 173 HD3 LYS 25 2HD LYS 25 -15.718 15.270 7.955 174 HE2 LYS 25 1HE LYS 25 -17.200 13.689 7.260 175 HE3 LYS 25 2HE LYS 25 -15.923 12.627 7.852 176 HZ1 LYS 25 1HZ LYS 25 -18.586 13.069 8.890 177 HZ2 LYS 25 2HZ LYS 25 -17.374 13.022 10.069 178 HZ3 LYS 25 3HZ LYS 25 -17.584 11.712 9.019 179 H LYS 26 H LYS 26 -13.282 14.931 5.971 180 HA LYS 26 HA LYS 26 -15.637 14.836 4.637 181 HB2 LYS 26 1HB LYS 26 -14.625 16.039 2.862 182 HB3 LYS 26 2HB LYS 26 -13.739 16.482 4.315 183 HG2 LYS 26 1HG LYS 26 -12.702 14.226 2.690 184 HG3 LYS 26 2HG LYS 26 -12.513 15.865 2.062 185 HD2 LYS 26 1HD LYS 26 -11.778 15.357 4.899 186 HD3 LYS 26 2HD LYS 26 -10.697 14.755 3.640 187 HE2 LYS 26 1HE LYS 26 -9.820 16.844 3.952 188 HE3 LYS 26 2HE LYS 26 -11.000 17.193 2.689 189 HZ1 LYS 26 1HZ LYS 26 -11.477 17.550 5.598 190 HZ2 LYS 26 2HZ LYS 26 -12.540 17.967 4.349 191 HZ3 LYS 26 3HZ LYS 26 -11.075 18.795 4.525 192 H THR 27 H THR 27 -16.102 14.124 2.367 193 HA THR 27 HA THR 27 -15.637 11.286 2.170 194 HB THR 27 HB THR 27 -17.851 12.205 1.647 195 HG1 THR 27 1HG THR 27 -16.705 11.185 -0.746 196 HG21 THR 27 1HG2 THR 27 -16.510 14.215 0.369 197 HG22 THR 27 2HG2 THR 27 -18.233 13.879 0.192 198 HG23 THR 27 3HG2 THR 27 -17.084 13.244 -0.986 199 H ILE 28 H ILE 28 -14.710 10.200 0.389 200 HA ILE 28 HA ILE 28 -12.632 11.766 -0.963 201 HB ILE 28 HB ILE 28 -12.894 8.771 -0.668 202 HG12 ILE 28 1HG1 ILE 28 -10.759 10.440 0.609 203 HG13 ILE 28 2HG1 ILE 28 -12.342 10.333 1.370 204 HG21 ILE 28 1HG2 ILE 28 -11.565 8.826 -2.489 205 HG22 ILE 28 2HG2 ILE 28 -11.083 10.500 -2.218 206 HG23 ILE 28 3HG2 ILE 28 -10.312 9.202 -1.307 207 HD11 ILE 28 1HD1 ILE 28 -10.447 8.698 2.053 208 HD12 ILE 28 2HD1 ILE 28 -12.097 8.105 1.867 209 HD13 ILE 28 3HD1 ILE 28 -10.915 7.838 0.587 210 H CYS 29 H CYS 29 -13.773 12.653 -2.672 211 HA CYS 29 HA CYS 29 -15.563 11.263 -4.332 212 HB2 CYS 29 1HB CYS 29 -15.343 13.750 -4.194 213 HB3 CYS 29 2HB CYS 29 -13.837 13.625 -5.096 214 HG CYS 29 HG CYS 29 -15.523 14.451 -7.014 215 H ASP 30 H ASP 30 -12.088 11.896 -4.659 216 HA ASP 30 HA ASP 30 -12.011 9.928 -6.849 217 HB2 ASP 30 1HB ASP 30 -9.678 11.097 -7.209 218 HB3 ASP 30 2HB ASP 30 -11.153 11.831 -7.832 219 HA PRO 31 HA PRO 31 -9.917 7.888 -3.283 220 HB2 PRO 31 1HB PRO 31 -10.859 5.410 -3.872 221 HB3 PRO 31 2HB PRO 31 -11.771 6.582 -2.914 222 HG2 PRO 31 1HG PRO 31 -12.030 5.898 -5.816 223 HG3 PRO 31 2HG PRO 31 -13.304 6.167 -4.612 224 HD2 PRO 31 1HD PRO 31 -12.569 8.060 -6.403 225 HD3 PRO 31 2HD PRO 31 -13.146 8.461 -4.773 226 H GLU 32 H GLU 32 -10.097 7.147 -6.709 227 HA GLU 32 HA GLU 32 -8.060 5.230 -6.862 228 HB2 GLU 32 1HB GLU 32 -9.528 5.585 -8.735 229 HB3 GLU 32 2HB GLU 32 -9.016 7.261 -8.882 230 HG2 GLU 32 1HG GLU 32 -6.691 6.348 -9.345 231 HG3 GLU 32 2HG GLU 32 -7.468 4.778 -9.537 232 H GLU 33 H GLU 33 -7.919 8.763 -7.230 233 HA GLU 33 HA GLU 33 -5.111 8.852 -7.648 234 HB2 GLU 33 1HB GLU 33 -7.232 10.869 -7.040 235 HB3 GLU 33 2HB GLU 33 -5.545 11.334 -6.871 236 HG2 GLU 33 1HG GLU 33 -6.720 10.160 -9.378 237 HG3 GLU 33 2HG GLU 33 -6.566 11.889 -9.071 238 H PHE 34 H PHE 34 -7.089 9.765 -4.823 239 HA PHE 34 HA PHE 34 -5.243 10.468 -3.002 240 HB2 PHE 34 1HB PHE 34 -7.564 10.387 -2.387 241 HB3 PHE 34 2HB PHE 34 -7.608 8.637 -2.575 242 HD1 PHE 34 2HD PHE 34 -6.230 11.382 -0.520 243 HD2 PHE 34 1HD PHE 34 -7.018 7.208 -0.806 244 HE1 PHE 34 2HE PHE 34 -5.680 11.118 1.864 245 HE2 PHE 34 1HE PHE 34 -6.470 6.938 1.578 246 HZ PHE 34 HZ PHE 34 -5.799 8.894 2.915 247 H LEU 35 H LEU 35 -6.146 7.078 -3.627 248 HA LEU 35 HA LEU 35 -4.350 5.864 -1.897 249 HB2 LEU 35 1HB LEU 35 -5.714 5.036 -4.407 250 HB3 LEU 35 2HB LEU 35 -4.425 4.011 -3.779 251 HG LEU 35 HG LEU 35 -6.720 4.823 -2.030 252 HD11 LEU 35 1HD1 LEU 35 -8.008 2.966 -2.724 253 HD12 LEU 35 2HD1 LEU 35 -6.710 2.354 -3.748 254 HD13 LEU 35 3HD1 LEU 35 -7.561 3.834 -4.192 255 HD21 LEU 35 1HD2 LEU 35 -6.161 2.538 -1.077 256 HD22 LEU 35 2HD2 LEU 35 -4.964 3.810 -0.833 257 HD23 LEU 35 3HD2 LEU 35 -4.711 2.587 -2.080 258 H LYS 36 H LYS 36 -3.907 6.406 -5.396 259 HA LYS 36 HA LYS 36 -1.306 5.523 -5.633 260 HB2 LYS 36 1HB LYS 36 -2.629 7.826 -7.078 261 HB3 LYS 36 2HB LYS 36 -1.131 7.056 -7.581 262 HG2 LYS 36 1HG LYS 36 -2.188 5.140 -8.279 263 HG3 LYS 36 2HG LYS 36 -3.572 5.386 -7.211 264 HD2 LYS 36 1HD LYS 36 -4.529 5.947 -9.208 265 HD3 LYS 36 2HD LYS 36 -3.904 7.528 -8.731 266 HE2 LYS 36 1HE LYS 36 -2.185 5.686 -10.333 267 HE3 LYS 36 2HE LYS 36 -3.465 6.593 -11.137 268 HZ1 LYS 36 1HZ LYS 36 -2.444 8.583 -10.722 269 HZ2 LYS 36 2HZ LYS 36 -1.090 7.590 -10.919 270 HZ3 LYS 36 3HZ LYS 36 -1.606 8.018 -9.366 271 H SER 37 H SER 37 -2.456 8.732 -4.674 272 HA SER 37 HA SER 37 0.143 9.878 -4.465 273 HB2 SER 37 1HB SER 37 -2.172 11.052 -4.693 274 HB3 SER 37 2HB SER 37 -2.234 10.901 -2.937 275 HG SER 37 HG SER 37 -0.905 12.512 -2.812 276 H SER 38 H SER 38 -1.843 7.972 -2.368 277 HA SER 38 HA SER 38 -0.458 8.676 0.052 278 HB2 SER 38 1HB SER 38 -2.665 7.988 0.436 279 HB3 SER 38 2HB SER 38 -2.533 6.623 -0.672 280 HG SER 38 HG SER 38 -1.401 6.894 1.909 281 H LEU 39 H LEU 39 -0.399 5.983 -2.237 282 HA LEU 39 HA LEU 39 1.627 4.565 -0.750 283 HB2 LEU 39 1HB LEU 39 0.669 4.060 -3.560 284 HB3 LEU 39 2HB LEU 39 1.544 2.941 -2.517 285 HG LEU 39 HG LEU 39 -1.195 3.955 -1.810 286 HD11 LEU 39 1HD1 LEU 39 -1.593 1.418 -2.721 287 HD12 LEU 39 2HD1 LEU 39 -0.427 2.043 -3.886 288 HD13 LEU 39 3HD1 LEU 39 -1.952 2.889 -3.626 289 HD21 LEU 39 1HD2 LEU 39 0.626 1.775 -0.881 290 HD22 LEU 39 2HD2 LEU 39 -1.120 1.601 -0.702 291 HD23 LEU 39 3HD2 LEU 39 -0.285 2.955 0.061 292 H LYS 40 H LYS 40 1.482 6.803 -3.411 293 HA LYS 40 HA LYS 40 3.706 6.514 -4.860 294 HB2 LYS 40 1HB LYS 40 2.195 8.470 -4.992 295 HB3 LYS 40 2HB LYS 40 2.934 9.122 -3.536 296 HG2 LYS 40 1HG LYS 40 5.140 8.854 -4.964 297 HG3 LYS 40 2HG LYS 40 3.994 8.973 -6.302 298 HD2 LYS 40 1HD LYS 40 4.464 11.189 -5.998 299 HD3 LYS 40 2HD LYS 40 3.102 11.021 -4.888 300 HE2 LYS 40 1HE LYS 40 4.583 12.071 -3.508 301 HE3 LYS 40 2HE LYS 40 5.031 10.396 -3.191 302 HZ1 LYS 40 1HZ LYS 40 6.949 10.582 -4.422 303 HZ2 LYS 40 2HZ LYS 40 6.856 12.121 -3.727 304 HZ3 LYS 40 3HZ LYS 40 6.384 11.889 -5.335 305 H ASN 41 H ASN 41 3.929 8.564 -1.954 306 HA ASN 41 HA ASN 41 6.562 8.846 -1.647 307 HB2 ASN 41 1HB ASN 41 4.409 8.366 0.367 308 HB3 ASN 41 2HB ASN 41 6.080 8.408 0.923 309 HD21 ASN 41 1HD2 ASN 41 5.923 10.288 2.055 310 HD22 ASN 41 2HD2 ASN 41 5.665 11.828 1.315 311 H GLY 42 H GLY 42 4.918 6.073 -0.103 312 HA2 GLY 42 1HA GLY 42 5.812 3.823 -0.636 313 HA3 GLY 42 2HA GLY 42 7.412 4.537 -0.503 314 H VAL 43 H VAL 43 6.302 6.159 1.843 315 HA VAL 43 HA VAL 43 7.224 4.414 3.885 316 HB VAL 43 HB VAL 43 7.521 6.815 4.095 317 HG11 VAL 43 1HG1 VAL 43 5.162 7.918 4.888 318 HG12 VAL 43 2HG1 VAL 43 5.845 8.058 3.267 319 HG13 VAL 43 3HG1 VAL 43 4.630 6.827 3.610 320 HG21 VAL 43 1HG2 VAL 43 7.581 5.821 6.188 321 HG22 VAL 43 2HG2 VAL 43 6.372 7.087 6.404 322 HG23 VAL 43 3HG2 VAL 43 5.865 5.416 6.159 323 H VAL 44 H VAL 44 4.062 5.272 2.668 324 HA VAL 44 HA VAL 44 2.535 4.295 4.842 325 HB VAL 44 HB VAL 44 1.825 4.684 1.935 326 HG11 VAL 44 1HG1 VAL 44 0.412 2.940 2.932 327 HG12 VAL 44 2HG1 VAL 44 -0.026 4.050 4.232 328 HG13 VAL 44 3HG1 VAL 44 -0.503 4.403 2.571 329 HG21 VAL 44 1HG2 VAL 44 2.182 6.784 2.882 330 HG22 VAL 44 2HG2 VAL 44 0.439 6.555 3.030 331 HG23 VAL 44 3HG2 VAL 44 1.483 6.310 4.431 332 H LEU 45 H LEU 45 3.945 2.778 2.020 333 HA LEU 45 HA LEU 45 2.505 0.320 2.273 334 HB2 LEU 45 1HB LEU 45 4.986 1.094 0.757 335 HB3 LEU 45 2HB LEU 45 4.294 -0.526 0.705 336 HG LEU 45 HG LEU 45 2.563 1.793 -0.009 337 HD11 LEU 45 1HD1 LEU 45 3.486 2.194 -2.033 338 HD12 LEU 45 2HD1 LEU 45 4.110 0.553 -2.199 339 HD13 LEU 45 3HD1 LEU 45 4.961 1.721 -1.188 340 HD21 LEU 45 1HD2 LEU 45 2.728 -1.127 -0.589 341 HD22 LEU 45 2HD2 LEU 45 1.915 -0.063 -1.737 342 HD23 LEU 45 3HD2 LEU 45 1.351 -0.158 -0.067 343 H CYS 46 H CYS 46 5.824 1.331 3.057 344 HA CYS 46 HA CYS 46 6.821 -1.038 4.039 345 HB2 CYS 46 1HB CYS 46 7.332 1.817 4.851 346 HB3 CYS 46 2HB CYS 46 8.200 0.478 5.593 347 HG CYS 46 HG CYS 46 8.228 1.174 2.242 348 H LYS 47 H LYS 47 5.009 1.444 5.824 349 HA LYS 47 HA LYS 47 5.051 0.158 8.320 350 HB2 LYS 47 1HB LYS 47 3.070 2.108 7.138 351 HB3 LYS 47 2HB LYS 47 3.050 1.593 8.820 352 HG2 LYS 47 1HG LYS 47 5.411 2.456 8.991 353 HG3 LYS 47 2HG LYS 47 5.168 3.183 7.401 354 HD2 LYS 47 1HD LYS 47 3.620 4.702 8.185 355 HD3 LYS 47 2HD LYS 47 3.171 3.692 9.562 356 HE2 LYS 47 1HE LYS 47 5.929 4.831 9.373 357 HE3 LYS 47 2HE LYS 47 4.597 5.840 9.934 358 HZ1 LYS 47 1HZ LYS 47 4.414 4.692 11.853 359 HZ2 LYS 47 2HZ LYS 47 6.042 4.343 11.558 360 HZ3 LYS 47 3HZ LYS 47 4.850 3.211 11.161 361 H LEU 48 H LEU 48 2.781 -0.038 5.619 362 HA LEU 48 HA LEU 48 0.755 -1.513 6.803 363 HB2 LEU 48 1HB LEU 48 0.451 -0.621 4.620 364 HB3 LEU 48 2HB LEU 48 1.821 -1.533 3.990 365 HG LEU 48 HG LEU 48 0.541 -3.619 4.306 366 HD11 LEU 48 1HD1 LEU 48 -0.978 -3.268 6.004 367 HD12 LEU 48 2HD1 LEU 48 -2.007 -3.185 4.575 368 HD13 LEU 48 3HD1 LEU 48 -1.486 -1.701 5.373 369 HD21 LEU 48 1HD2 LEU 48 -1.373 -2.105 2.713 370 HD22 LEU 48 2HD2 LEU 48 -0.284 -3.410 2.241 371 HD23 LEU 48 3HD2 LEU 48 0.306 -1.749 2.307 372 H ILE 49 H ILE 49 3.080 -3.014 4.570 373 HA ILE 49 HA ILE 49 2.689 -5.627 5.228 374 HB ILE 49 HB ILE 49 4.169 -4.935 3.412 375 HG12 ILE 49 1HG1 ILE 49 6.134 -6.533 4.028 376 HG13 ILE 49 2HG1 ILE 49 5.222 -6.812 5.507 377 HG21 ILE 49 1HG2 ILE 49 6.210 -4.291 5.534 378 HG22 ILE 49 2HG2 ILE 49 6.390 -4.115 3.789 379 HG23 ILE 49 3HG2 ILE 49 5.261 -3.084 4.667 380 HD11 ILE 49 1HD1 ILE 49 3.265 -7.408 4.025 381 HD12 ILE 49 2HD1 ILE 49 4.413 -7.419 2.685 382 HD13 ILE 49 3HD1 ILE 49 4.621 -8.536 4.034 383 H ASN 50 H ASN 50 4.704 -3.294 6.944 384 HA ASN 50 HA ASN 50 6.028 -4.991 8.693 385 HB2 ASN 50 1HB ASN 50 6.101 -2.362 8.343 386 HB3 ASN 50 2HB ASN 50 5.015 -2.380 9.729 387 HD21 ASN 50 1HD2 ASN 50 8.224 -2.673 8.645 388 HD22 ASN 50 2HD2 ASN 50 8.960 -2.994 10.174 389 H ARG 51 H ARG 51 2.761 -3.687 8.860 390 HA ARG 51 HA ARG 51 2.258 -4.742 11.488 391 HB2 ARG 51 1HB ARG 51 1.135 -2.703 10.594 392 HB3 ARG 51 2HB ARG 51 0.281 -3.722 9.442 393 HG2 ARG 51 1HG ARG 51 -1.247 -3.384 11.166 394 HG3 ARG 51 2HG ARG 51 -0.590 -4.992 11.478 395 HD2 ARG 51 1HD ARG 51 1.097 -3.770 12.992 396 HD3 ARG 51 2HD ARG 51 -0.026 -2.413 12.901 397 HE ARG 51 HE ARG 51 -1.464 -4.706 13.612 398 HH11 ARG 51 1HH1 ARG 51 0.974 -2.591 14.918 399 HH12 ARG 51 2HH1 ARG 51 0.513 -2.862 16.565 400 HH21 ARG 51 1HH2 ARG 51 -2.081 -5.071 15.777 401 HH22 ARG 51 2HH2 ARG 51 -1.224 -4.273 17.053 402 H LEU 52 H LEU 52 1.548 -5.689 8.168 403 HA LEU 52 HA LEU 52 -0.212 -7.803 8.721 404 HB2 LEU 52 1HB LEU 52 1.740 -7.585 6.435 405 HB3 LEU 52 2HB LEU 52 0.301 -8.602 6.491 406 HG LEU 52 HG LEU 52 0.307 -5.584 6.480 407 HD11 LEU 52 1HD1 LEU 52 0.972 -7.028 4.367 408 HD12 LEU 52 2HD1 LEU 52 -0.064 -5.608 4.233 409 HD13 LEU 52 3HD1 LEU 52 -0.777 -7.220 4.253 410 HD21 LEU 52 1HD2 LEU 52 -1.656 -6.135 7.556 411 HD22 LEU 52 2HD2 LEU 52 -1.838 -7.654 6.678 412 HD23 LEU 52 3HD2 LEU 52 -2.166 -6.122 5.868 413 H MET 53 H MET 53 3.309 -7.825 8.192 414 HA MET 53 HA MET 53 3.405 -10.396 9.625 415 HB2 MET 53 1HB MET 53 4.964 -9.556 7.180 416 HB3 MET 53 2HB MET 53 5.400 -10.941 8.173 417 HG2 MET 53 1HG MET 53 3.350 -12.048 7.650 418 HG3 MET 53 2HG MET 53 2.731 -10.616 6.829 419 HE1 MET 53 1HE MET 53 4.578 -14.052 4.837 420 HE2 MET 53 2HE MET 53 4.855 -13.837 6.566 421 HE3 MET 53 3HE MET 53 3.210 -13.835 5.930 422 HA PRO 54 HA PRO 54 6.155 -8.231 12.326 423 HB2 PRO 54 1HB PRO 54 7.120 -10.390 13.658 424 HB3 PRO 54 2HB PRO 54 5.501 -9.736 13.933 425 HG2 PRO 54 1HG PRO 54 6.339 -12.078 12.268 426 HG3 PRO 54 2HG PRO 54 4.963 -11.929 13.376 427 HD2 PRO 54 1HD PRO 54 4.704 -11.697 10.690 428 HD3 PRO 54 2HD PRO 54 3.680 -10.799 11.829 429 H GLY 55 H GLY 55 7.862 -7.374 11.242 430 HA2 GLY 55 1HA GLY 55 10.191 -7.314 10.899 431 HA3 GLY 55 2HA GLY 55 10.223 -9.070 10.959 432 H SER 56 H SER 56 8.562 -6.627 8.958 433 HA SER 56 HA SER 56 9.212 -8.232 6.594 434 HB2 SER 56 1HB SER 56 7.250 -5.960 6.979 435 HB3 SER 56 2HB SER 56 7.528 -6.789 5.447 436 HG SER 56 HG SER 56 6.104 -7.595 7.650 437 H VAL 57 H VAL 57 9.270 -4.841 7.678 438 HA VAL 57 HA VAL 57 11.250 -4.260 5.586 439 HB VAL 57 HB VAL 57 9.390 -2.496 7.156 440 HG11 VAL 57 1HG1 VAL 57 11.352 -1.237 7.295 441 HG12 VAL 57 2HG1 VAL 57 11.893 -1.732 5.690 442 HG13 VAL 57 3HG1 VAL 57 10.545 -0.607 5.859 443 HG21 VAL 57 1HG2 VAL 57 9.710 -2.091 4.286 444 HG22 VAL 57 2HG2 VAL 57 9.165 -3.715 4.705 445 HG23 VAL 57 3HG2 VAL 57 8.245 -2.310 5.243 446 H GLU 58 H GLU 58 13.306 -3.818 6.084 447 HA GLU 58 HA GLU 58 14.229 -4.155 8.763 448 HB2 GLU 58 1HB GLU 58 16.463 -3.632 7.796 449 HB3 GLU 58 2HB GLU 58 15.614 -4.918 6.950 450 HG2 GLU 58 1HG GLU 58 14.978 -3.379 5.190 451 HG3 GLU 58 2HG GLU 58 15.754 -2.050 6.050 452 H LYS 59 H LYS 59 13.981 -1.387 6.563 453 HA LYS 59 HA LYS 59 13.547 0.457 8.660 454 HB2 LYS 59 1HB LYS 59 15.723 1.784 8.097 455 HB3 LYS 59 2HB LYS 59 15.782 0.467 9.261 456 HG2 LYS 59 1HG LYS 59 16.734 -1.011 7.647 457 HG3 LYS 59 2HG LYS 59 16.487 0.163 6.352 458 HD2 LYS 59 1HD LYS 59 18.167 0.827 8.746 459 HD3 LYS 59 2HD LYS 59 18.842 -0.062 7.378 460 HE2 LYS 59 1HE LYS 59 19.334 2.078 6.742 461 HE3 LYS 59 2HE LYS 59 17.744 1.899 6.002 462 HZ1 LYS 59 1HZ LYS 59 18.501 3.870 7.726 463 HZ2 LYS 59 2HZ LYS 59 17.587 2.832 8.699 464 HZ3 LYS 59 3HZ LYS 59 16.911 3.486 7.293 465 H PHE 60 H PHE 60 12.386 2.058 7.817 466 HA PHE 60 HA PHE 60 12.833 2.793 5.003 467 HB2 PHE 60 1HB PHE 60 10.425 3.047 4.690 468 HB3 PHE 60 2HB PHE 60 10.805 1.403 5.194 469 HD1 PHE 60 2HD PHE 60 10.466 0.785 7.623 470 HD2 PHE 60 1HD PHE 60 8.928 4.363 5.904 471 HE1 PHE 60 2HE PHE 60 8.863 0.984 9.479 472 HE2 PHE 60 1HE PHE 60 7.324 4.568 7.758 473 HZ PHE 60 HZ PHE 60 7.289 2.877 9.548 474 H CYS 61 H CYS 61 11.764 4.947 4.482 475 HA CYS 61 HA CYS 61 12.533 6.835 6.564 476 HB2 CYS 61 1HB CYS 61 13.195 6.917 4.028 477 HB3 CYS 61 2HB CYS 61 11.609 7.655 3.834 478 HG CYS 61 HG CYS 61 13.158 9.836 3.895 479 H LEU 62 H LEU 62 11.066 7.647 7.894 480 HA LEU 62 HA LEU 62 8.295 7.238 7.614 481 HB2 LEU 62 1HB LEU 62 9.998 8.916 9.406 482 HB3 LEU 62 2HB LEU 62 8.246 9.110 9.428 483 HG LEU 62 HG LEU 62 9.832 6.651 10.150 484 HD11 LEU 62 1HD1 LEU 62 9.071 8.835 11.658 485 HD12 LEU 62 2HD1 LEU 62 9.528 7.247 12.272 486 HD13 LEU 62 3HD1 LEU 62 7.828 7.632 12.004 487 HD21 LEU 62 1HD2 LEU 62 7.236 6.100 10.785 488 HD22 LEU 62 2HD2 LEU 62 8.082 5.499 9.358 489 HD23 LEU 62 3HD2 LEU 62 7.065 6.936 9.241 490 H ASP 63 H ASP 63 10.252 10.188 7.238 491 HA ASP 63 HA ASP 63 8.114 11.270 5.528 492 HB2 ASP 63 1HB ASP 63 9.670 12.668 7.699 493 HB3 ASP 63 2HB ASP 63 8.852 13.556 6.416 494 HA PRO 64 HA PRO 64 11.950 11.176 3.038 495 HB2 PRO 64 1HB PRO 64 10.651 10.830 0.679 496 HB3 PRO 64 2HB PRO 64 11.044 9.492 1.765 497 HG2 PRO 64 1HG PRO 64 8.457 10.960 1.426 498 HG3 PRO 64 2HG PRO 64 8.741 9.218 1.601 499 HD2 PRO 64 1HD PRO 64 7.919 10.773 3.659 500 HD3 PRO 64 2HD PRO 64 8.962 9.356 3.891 501 H GLN 65 H GLN 65 12.742 13.188 2.865 502 HA GLN 65 HA GLN 65 11.103 15.412 2.057 503 HB2 GLN 65 1HB GLN 65 14.063 15.205 2.627 504 HB3 GLN 65 2HB GLN 65 13.223 16.710 2.275 505 HG2 GLN 65 1HG GLN 65 12.493 14.913 4.569 506 HG3 GLN 65 2HG GLN 65 13.649 16.238 4.699 507 HE21 GLN 65 1HE2 GLN 65 10.596 15.438 5.351 508 HE22 GLN 65 2HE2 GLN 65 9.827 16.980 5.227 509 H THR 66 H THR 66 13.411 13.272 0.570 510 HA THR 66 HA THR 66 13.108 14.761 -1.958 511 HB THR 66 HB THR 66 15.292 13.913 -2.660 512 HG1 THR 66 1HG THR 66 16.573 12.967 -0.808 513 HG21 THR 66 1HG2 THR 66 15.423 16.046 -1.668 514 HG22 THR 66 2HG2 THR 66 16.697 15.107 -0.890 515 HG23 THR 66 3HG2 THR 66 15.176 15.398 -0.047 516 H GLU 67 H GLU 67 13.485 13.314 -3.911 517 HA GLU 67 HA GLU 67 11.572 11.247 -3.905 518 HB2 GLU 67 1HB GLU 67 12.023 12.448 -5.938 519 HB3 GLU 67 2HB GLU 67 13.715 11.972 -5.903 520 HG2 GLU 67 1HG GLU 67 12.650 9.549 -5.961 521 HG3 GLU 67 2HG GLU 67 11.323 10.428 -6.719 522 H ALA 68 H ALA 68 15.092 11.223 -3.710 523 HA ALA 68 HA ALA 68 15.557 8.499 -4.051 524 HB1 ALA 68 1HB ALA 68 17.093 10.716 -3.454 525 HB2 ALA 68 2HB ALA 68 17.289 9.675 -2.042 526 HB3 ALA 68 3HB ALA 68 17.675 9.062 -3.650 527 H ASP 69 H ASP 69 14.381 10.271 -1.279 528 HA ASP 69 HA ASP 69 14.739 8.121 0.585 529 HB2 ASP 69 1HB ASP 69 13.394 10.795 0.652 530 HB3 ASP 69 2HB ASP 69 13.034 9.619 1.912 531 H CYS 70 H CYS 70 12.261 9.124 -1.632 532 HA CYS 70 HA CYS 70 10.141 7.616 -0.450 533 HB2 CYS 70 1HB CYS 70 10.520 8.962 -3.114 534 HB3 CYS 70 2HB CYS 70 9.105 7.968 -2.791 535 HG CYS 70 HG CYS 70 8.511 9.586 -0.430 536 H ILE 71 H ILE 71 12.030 7.144 -3.440 537 HA ILE 71 HA ILE 71 11.070 4.691 -4.204 538 HB ILE 71 HB ILE 71 13.935 5.632 -4.388 539 HG12 ILE 71 1HG1 ILE 71 12.502 7.221 -5.461 540 HG13 ILE 71 2HG1 ILE 71 13.225 6.240 -6.731 541 HG21 ILE 71 1HG2 ILE 71 13.577 3.175 -4.721 542 HG22 ILE 71 2HG2 ILE 71 12.546 3.576 -6.094 543 HG23 ILE 71 3HG2 ILE 71 14.253 4.019 -6.114 544 HD11 ILE 71 1HD1 ILE 71 11.160 4.913 -6.842 545 HD12 ILE 71 2HD1 ILE 71 10.441 5.969 -5.625 546 HD13 ILE 71 3HD1 ILE 71 10.897 6.620 -7.200 547 H ASN 72 H ASN 72 13.569 5.382 -1.800 548 HA ASN 72 HA ASN 72 14.425 2.770 -1.315 549 HB2 ASN 72 1HB ASN 72 14.341 5.245 0.396 550 HB3 ASN 72 2HB ASN 72 14.947 3.719 1.033 551 HD21 ASN 72 1HD2 ASN 72 16.231 6.348 0.409 552 HD22 ASN 72 2HD2 ASN 72 17.586 5.945 -0.585 553 H ASN 73 H ASN 73 11.614 4.516 -0.166 554 HA ASN 73 HA ASN 73 10.891 2.640 1.854 555 HB2 ASN 73 1HB ASN 73 9.238 4.726 0.414 556 HB3 ASN 73 2HB ASN 73 8.702 3.822 1.827 557 HD21 ASN 73 1HD2 ASN 73 8.576 6.386 2.159 558 HD22 ASN 73 2HD2 ASN 73 9.880 7.005 3.110 559 H ILE 74 H ILE 74 9.575 3.290 -1.395 560 HA ILE 74 HA ILE 74 7.689 1.275 -1.501 561 HB ILE 74 HB ILE 74 9.403 2.325 -3.755 562 HG12 ILE 74 1HG1 ILE 74 6.539 3.047 -3.215 563 HG13 ILE 74 2HG1 ILE 74 7.836 3.866 -2.352 564 HG21 ILE 74 1HG2 ILE 74 7.124 0.416 -3.695 565 HG22 ILE 74 2HG2 ILE 74 7.233 1.556 -5.036 566 HG23 ILE 74 3HG2 ILE 74 8.557 0.434 -4.722 567 HD11 ILE 74 1HD1 ILE 74 6.997 4.080 -5.162 568 HD12 ILE 74 2HD1 ILE 74 7.687 5.291 -4.081 569 HD13 ILE 74 3HD1 ILE 74 8.735 4.110 -4.866 570 H ASN 75 H ASN 75 11.095 1.109 -2.528 571 HA ASN 75 HA ASN 75 11.117 -1.538 -3.381 572 HB2 ASN 75 1HB ASN 75 13.192 0.361 -2.387 573 HB3 ASN 75 2HB ASN 75 13.627 -1.340 -2.526 574 HD21 ASN 75 1HD2 ASN 75 12.434 1.450 -4.288 575 HD22 ASN 75 2HD2 ASN 75 12.960 0.924 -5.847 576 H ASP 76 H ASP 76 11.820 -0.215 -0.159 577 HA ASP 76 HA ASP 76 12.516 -2.549 1.149 578 HB2 ASP 76 1HB ASP 76 11.185 -0.018 2.058 579 HB3 ASP 76 2HB ASP 76 11.402 -1.354 3.186 580 H PHE 77 H PHE 77 9.264 -1.131 0.839 581 HA PHE 77 HA PHE 77 7.817 -3.020 2.229 582 HB2 PHE 77 1HB PHE 77 6.508 -1.240 1.586 583 HB3 PHE 77 2HB PHE 77 7.190 -1.187 -0.036 584 HD1 PHE 77 1HD PHE 77 5.103 -3.409 2.111 585 HD2 PHE 77 2HD PHE 77 5.887 -1.895 -1.789 586 HE1 PHE 77 1HE PHE 77 3.136 -4.612 1.252 587 HE2 PHE 77 2HE PHE 77 3.921 -3.095 -2.654 588 HZ PHE 77 HZ PHE 77 2.542 -4.455 -1.132 589 H LEU 78 H LEU 78 8.859 -3.104 -1.152 590 HA LEU 78 HA LEU 78 7.517 -5.415 -1.949 591 HB2 LEU 78 1HB LEU 78 10.189 -4.337 -2.834 592 HB3 LEU 78 2HB LEU 78 9.310 -5.624 -3.658 593 HG LEU 78 HG LEU 78 8.224 -2.836 -3.292 594 HD11 LEU 78 1HD1 LEU 78 9.139 -2.157 -5.261 595 HD12 LEU 78 2HD1 LEU 78 9.229 -3.792 -5.915 596 HD13 LEU 78 3HD1 LEU 78 10.413 -3.252 -4.725 597 HD21 LEU 78 1HD2 LEU 78 6.930 -5.156 -3.935 598 HD22 LEU 78 2HD2 LEU 78 7.334 -4.503 -5.523 599 HD23 LEU 78 3HD2 LEU 78 6.399 -3.535 -4.383 600 H LYS 79 H LYS 79 10.795 -5.066 -0.611 601 HA LYS 79 HA LYS 79 11.815 -7.540 -0.681 602 HB2 LYS 79 1HB LYS 79 11.738 -5.981 1.904 603 HB3 LYS 79 2HB LYS 79 12.980 -7.106 1.370 604 HG2 LYS 79 1HG LYS 79 13.432 -5.519 -0.535 605 HG3 LYS 79 2HG LYS 79 12.383 -4.366 0.293 606 HD2 LYS 79 1HD LYS 79 14.502 -3.776 1.043 607 HD3 LYS 79 2HD LYS 79 13.901 -4.813 2.339 608 HE2 LYS 79 1HE LYS 79 15.491 -5.966 0.080 609 HE3 LYS 79 2HE LYS 79 16.303 -5.171 1.428 610 HZ1 LYS 79 1HZ LYS 79 14.571 -6.815 2.676 611 HZ2 LYS 79 2HZ LYS 79 16.197 -7.173 2.379 612 HZ3 LYS 79 3HZ LYS 79 15.001 -7.738 1.324 613 H GLY 80 H GLY 80 9.161 -6.524 1.408 614 HA2 GLY 80 1HA GLY 80 9.004 -9.121 2.692 615 HA3 GLY 80 2HA GLY 80 7.942 -7.750 2.973 616 H CYS 81 H CYS 81 7.298 -7.351 0.178 617 HA CYS 81 HA CYS 81 5.007 -8.909 -0.030 618 HB2 CYS 81 1HB CYS 81 4.634 -7.872 -2.075 619 HB3 CYS 81 2HB CYS 81 5.711 -6.730 -1.279 620 HG CYS 81 HG CYS 81 7.968 -7.433 -2.685 621 H ALA 82 H ALA 82 8.181 -9.361 -1.539 622 HA ALA 82 HA ALA 82 7.729 -11.430 -3.252 623 HB1 ALA 82 1HB ALA 82 10.011 -10.476 -1.718 624 HB2 ALA 82 2HB ALA 82 10.090 -12.202 -2.070 625 HB3 ALA 82 3HB ALA 82 9.923 -11.041 -3.386 626 H THR 83 H THR 83 8.009 -11.616 0.262 627 HA THR 83 HA THR 83 8.125 -14.364 0.601 628 HB THR 83 HB THR 83 6.657 -12.386 2.357 629 HG1 THR 83 1HG THR 83 9.097 -12.253 1.800 630 HG21 THR 83 1HG2 THR 83 7.141 -15.257 2.559 631 HG22 THR 83 2HG2 THR 83 6.034 -14.230 3.471 632 HG23 THR 83 3HG2 THR 83 7.724 -14.357 3.958 633 H LEU 84 H LEU 84 5.320 -12.289 0.060 634 HA LEU 84 HA LEU 84 3.427 -14.426 0.375 635 HB2 LEU 84 1HB LEU 84 3.170 -11.633 -0.722 636 HB3 LEU 84 2HB LEU 84 1.817 -12.749 -0.555 637 HG LEU 84 HG LEU 84 3.458 -12.065 1.845 638 HD11 LEU 84 1HD1 LEU 84 3.011 -9.895 0.980 639 HD12 LEU 84 2HD1 LEU 84 1.849 -10.195 2.271 640 HD13 LEU 84 3HD1 LEU 84 1.347 -10.327 0.586 641 HD21 LEU 84 1HD2 LEU 84 1.386 -13.749 1.476 642 HD22 LEU 84 2HD2 LEU 84 0.519 -12.274 1.905 643 HD23 LEU 84 3HD2 LEU 84 1.731 -12.937 3.003 644 H GLN 85 H GLN 85 5.477 -13.389 -2.117 645 HA GLN 85 HA GLN 85 5.653 -13.869 -4.339 646 HB2 GLN 85 1HB GLN 85 4.102 -16.354 -3.605 647 HB3 GLN 85 2HB GLN 85 5.217 -16.156 -4.951 648 HG2 GLN 85 1HG GLN 85 7.087 -16.151 -3.557 649 HG3 GLN 85 2HG GLN 85 6.123 -15.831 -2.116 650 HE21 GLN 85 1HE2 GLN 85 7.693 -17.741 -1.627 651 HE22 GLN 85 2HE2 GLN 85 6.989 -19.311 -1.789 652 H VAL 86 H VAL 86 3.695 -12.081 -4.008 653 HA VAL 86 HA VAL 86 1.490 -13.047 -5.710 654 HB VAL 86 HB VAL 86 0.136 -11.196 -4.803 655 HG11 VAL 86 1HG1 VAL 86 -0.244 -12.158 -2.589 656 HG12 VAL 86 2HG1 VAL 86 -0.009 -13.419 -3.801 657 HG13 VAL 86 3HG1 VAL 86 1.298 -13.008 -2.689 658 HG21 VAL 86 1HG2 VAL 86 1.249 -10.366 -2.499 659 HG22 VAL 86 2HG2 VAL 86 2.698 -10.545 -3.490 660 HG23 VAL 86 3HG2 VAL 86 1.392 -9.486 -4.021 661 H GLU 87 H GLU 87 0.411 -10.926 -6.761 662 HA GLU 87 HA GLU 87 2.153 -10.099 -8.781 663 HB2 GLU 87 1HB GLU 87 -0.476 -8.964 -7.832 664 HB3 GLU 87 2HB GLU 87 0.370 -8.353 -9.246 665 HG2 GLU 87 1HG GLU 87 0.325 -10.786 -10.068 666 HG3 GLU 87 2HG GLU 87 -0.909 -11.024 -8.831 667 H ILE 88 H ILE 88 3.725 -8.644 -8.813 668 HA ILE 88 HA ILE 88 3.736 -6.545 -6.743 669 HB ILE 88 HB ILE 88 6.238 -6.479 -7.174 670 HG12 ILE 88 1HG1 ILE 88 5.913 -9.277 -8.208 671 HG13 ILE 88 2HG1 ILE 88 5.870 -7.917 -9.324 672 HG21 ILE 88 1HG2 ILE 88 5.090 -9.009 -6.001 673 HG22 ILE 88 2HG2 ILE 88 6.683 -8.335 -5.663 674 HG23 ILE 88 3HG2 ILE 88 5.233 -7.462 -5.167 675 HD11 ILE 88 1HD1 ILE 88 8.117 -7.544 -7.675 676 HD12 ILE 88 2HD1 ILE 88 8.118 -9.233 -8.182 677 HD13 ILE 88 3HD1 ILE 88 8.074 -7.949 -9.390 678 H PHE 89 H PHE 89 5.466 -4.765 -7.578 679 HA PHE 89 HA PHE 89 5.046 -4.127 -10.381 680 HB2 PHE 89 1HB PHE 89 4.184 -1.841 -9.812 681 HB3 PHE 89 2HB PHE 89 3.063 -3.147 -9.441 682 HD1 PHE 89 1HD PHE 89 5.746 -1.127 -7.824 683 HD2 PHE 89 2HD PHE 89 2.038 -3.170 -7.385 684 HE1 PHE 89 1HE PHE 89 5.579 -0.319 -5.506 685 HE2 PHE 89 2HE PHE 89 1.865 -2.364 -5.067 686 HZ PHE 89 HZ PHE 89 3.636 -0.936 -4.125 687 H ASP 90 H ASP 90 6.003 -1.715 -10.666 688 HA ASP 90 HA ASP 90 8.705 -1.888 -9.547 689 HB2 ASP 90 1HB ASP 90 7.543 -0.641 -12.013 690 HB3 ASP 90 2HB ASP 90 9.078 -0.052 -11.379 691 HA PRO 91 HA PRO 91 8.305 1.668 -7.010 692 HB2 PRO 91 1HB PRO 91 10.752 2.814 -7.267 693 HB3 PRO 91 2HB PRO 91 10.482 1.320 -6.363 694 HG2 PRO 91 1HG PRO 91 11.507 1.688 -9.152 695 HG3 PRO 91 2HG PRO 91 12.082 0.590 -7.884 696 HD2 PRO 91 1HD PRO 91 10.487 -0.234 -9.911 697 HD3 PRO 91 2HD PRO 91 10.418 -0.952 -8.289 698 H ASP 92 H ASP 92 8.846 1.974 -10.365 699 HA ASP 92 HA ASP 92 8.625 4.883 -10.343 700 HB2 ASP 92 1HB ASP 92 8.798 3.070 -12.752 701 HB3 ASP 92 2HB ASP 92 9.115 4.801 -12.686 702 H ASP 93 H ASP 93 6.792 2.025 -11.253 703 HA ASP 93 HA ASP 93 4.693 3.285 -12.618 704 HB2 ASP 93 1HB ASP 93 4.603 1.011 -12.909 705 HB3 ASP 93 2HB ASP 93 5.059 0.671 -11.242 706 H LEU 94 H LEU 94 5.153 2.600 -9.181 707 HA LEU 94 HA LEU 94 2.583 3.569 -8.400 708 HB2 LEU 94 1HB LEU 94 3.578 2.015 -6.949 709 HB3 LEU 94 2HB LEU 94 5.104 2.897 -6.918 710 HG LEU 94 HG LEU 94 4.089 4.641 -5.557 711 HD11 LEU 94 1HD1 LEU 94 1.723 3.900 -6.610 712 HD12 LEU 94 2HD1 LEU 94 1.888 4.851 -5.135 713 HD13 LEU 94 3HD1 LEU 94 1.630 3.109 -5.036 714 HD21 LEU 94 1HD2 LEU 94 4.481 3.494 -3.680 715 HD22 LEU 94 2HD2 LEU 94 4.774 2.115 -4.740 716 HD23 LEU 94 3HD2 LEU 94 3.186 2.342 -4.005 717 H TYR 95 H TYR 95 5.865 4.876 -7.890 718 HA TYR 95 HA TYR 95 5.228 7.305 -6.798 719 HB2 TYR 95 1HB TYR 95 7.540 6.269 -7.338 720 HB3 TYR 95 2HB TYR 95 7.387 7.102 -8.881 721 HD1 TYR 95 1HD TYR 95 6.253 9.659 -8.245 722 HD2 TYR 95 2HD TYR 95 9.086 7.382 -6.033 723 HE1 TYR 95 1HE TYR 95 7.103 11.726 -7.218 724 HE2 TYR 95 2HE TYR 95 9.943 9.442 -4.999 725 HH TYR 95 HH TYR 95 9.339 11.678 -4.572 726 H SER 96 H SER 96 5.912 6.859 -10.273 727 HA SER 96 HA SER 96 4.829 9.378 -10.999 728 HB2 SER 96 1HB SER 96 5.283 6.974 -12.782 729 HB3 SER 96 2HB SER 96 5.142 8.656 -13.294 730 HG SER 96 HG SER 96 7.338 7.796 -13.078 731 H GLY 97 H GLY 97 3.588 6.056 -11.302 732 HA2 GLY 97 1HA GLY 97 1.305 5.499 -10.926 733 HA3 GLY 97 2HA GLY 97 0.869 7.160 -11.301 734 H VAL 98 H VAL 98 2.919 4.934 -13.145 735 HA VAL 98 HA VAL 98 1.519 5.560 -15.571 736 HB VAL 98 HB VAL 98 3.664 3.499 -15.039 737 HG11 VAL 98 1HG1 VAL 98 2.813 2.722 -17.008 738 HG12 VAL 98 2HG1 VAL 98 2.192 4.301 -17.492 739 HG13 VAL 98 3HG1 VAL 98 3.914 3.947 -17.635 740 HG21 VAL 98 1HG2 VAL 98 4.830 5.423 -16.536 741 HG22 VAL 98 2HG2 VAL 98 3.700 6.392 -15.590 742 HG23 VAL 98 3HG2 VAL 98 4.888 5.375 -14.774 743 H ASN 99 H ASN 99 1.917 2.616 -13.609 744 HA ASN 99 HA ASN 99 -0.556 1.585 -14.832 745 HB2 ASN 99 1HB ASN 99 2.087 0.268 -14.458 746 HB3 ASN 99 2HB ASN 99 0.649 -0.716 -14.199 747 HD21 ASN 99 1HD2 ASN 99 0.128 -1.837 -15.917 748 HD22 ASN 99 2HD2 ASN 99 0.282 -1.326 -17.560 749 H PHE 100 H PHE 100 -1.771 2.379 -13.080 750 HA PHE 100 HA PHE 100 -1.143 1.696 -10.376 751 HB2 PHE 100 1HB PHE 100 -2.498 3.701 -11.115 752 HB3 PHE 100 2HB PHE 100 -3.822 2.590 -11.447 753 HD1 PHE 100 2HD PHE 100 -1.399 2.679 -8.624 754 HD2 PHE 100 1HD PHE 100 -5.452 3.040 -9.875 755 HE1 PHE 100 2HE PHE 100 -2.108 2.830 -6.273 756 HE2 PHE 100 1HE PHE 100 -6.167 3.193 -7.525 757 HZ PHE 100 HZ PHE 100 -4.494 3.086 -5.721 758 H SER 101 H SER 101 -3.310 0.410 -12.844 759 HA SER 101 HA SER 101 -4.932 -1.288 -11.526 760 HB2 SER 101 1HB SER 101 -3.343 -1.935 -14.020 761 HB3 SER 101 2HB SER 101 -4.742 -2.850 -13.459 762 HG SER 101 HG SER 101 -5.484 -1.375 -14.931 763 H LYS 102 H LYS 102 -1.492 -1.803 -12.119 764 HA LYS 102 HA LYS 102 -1.434 -4.421 -10.973 765 HB2 LYS 102 1HB LYS 102 0.746 -2.441 -11.638 766 HB3 LYS 102 2HB LYS 102 1.065 -4.045 -10.991 767 HG2 LYS 102 1HG LYS 102 0.334 -5.108 -12.922 768 HG3 LYS 102 2HG LYS 102 -0.566 -3.693 -13.475 769 HD2 LYS 102 1HD LYS 102 1.290 -3.648 -14.852 770 HD3 LYS 102 2HD LYS 102 1.781 -2.566 -13.547 771 HE2 LYS 102 1HE LYS 102 3.088 -4.292 -12.524 772 HE3 LYS 102 2HE LYS 102 2.458 -5.502 -13.641 773 HZ1 LYS 102 1HZ LYS 102 4.755 -4.572 -14.108 774 HZ2 LYS 102 2HZ LYS 102 3.977 -3.150 -14.593 775 HZ3 LYS 102 3HZ LYS 102 3.669 -4.602 -15.405 776 H VAL 103 H VAL 103 -0.530 -1.187 -9.822 777 HA VAL 103 HA VAL 103 0.455 -1.943 -7.313 778 HB VAL 103 HB VAL 103 -0.937 0.634 -8.057 779 HG11 VAL 103 1HG1 VAL 103 -0.590 -0.006 -5.572 780 HG12 VAL 103 2HG1 VAL 103 1.111 0.336 -5.896 781 HG13 VAL 103 3HG1 VAL 103 -0.101 1.597 -6.122 782 HG21 VAL 103 1HG2 VAL 103 1.031 0.011 -9.467 783 HG22 VAL 103 2HG2 VAL 103 1.228 1.514 -8.565 784 HG23 VAL 103 3HG2 VAL 103 2.017 0.039 -8.005 785 H LEU 104 H LEU 104 -2.815 -1.408 -8.454 786 HA LEU 104 HA LEU 104 -4.008 -1.420 -5.850 787 HB2 LEU 104 1HB LEU 104 -5.011 -0.319 -7.833 788 HB3 LEU 104 2HB LEU 104 -5.294 -1.912 -8.532 789 HG LEU 104 HG LEU 104 -6.736 -2.397 -6.507 790 HD11 LEU 104 1HD1 LEU 104 -7.290 -0.793 -4.999 791 HD12 LEU 104 2HD1 LEU 104 -7.065 0.525 -6.148 792 HD13 LEU 104 3HD1 LEU 104 -5.664 -0.236 -5.395 793 HD21 LEU 104 1HD2 LEU 104 -7.461 -1.635 -8.865 794 HD22 LEU 104 2HD2 LEU 104 -7.808 -0.090 -8.087 795 HD23 LEU 104 3HD2 LEU 104 -8.632 -1.554 -7.549 796 H SER 105 H SER 105 -3.695 -3.791 -8.473 797 HA SER 105 HA SER 105 -5.119 -5.859 -7.179 798 HB2 SER 105 1HB SER 105 -4.245 -7.314 -8.887 799 HB3 SER 105 2HB SER 105 -4.597 -5.757 -9.636 800 HG SER 105 HG SER 105 -2.604 -6.038 -10.323 801 H THR 106 H THR 106 -1.694 -5.004 -7.272 802 HA THR 106 HA THR 106 -0.555 -7.203 -6.075 803 HB THR 106 HB THR 106 0.159 -4.288 -5.733 804 HG1 THR 106 1HG THR 106 1.934 -5.167 -7.169 805 HG21 THR 106 1HG2 THR 106 1.386 -6.750 -4.603 806 HG22 THR 106 2HG2 THR 106 1.299 -5.121 -3.933 807 HG23 THR 106 3HG2 THR 106 2.465 -5.491 -5.203 808 H LEU 107 H LEU 107 -1.866 -4.331 -4.419 809 HA LEU 107 HA LEU 107 -1.455 -5.334 -1.807 810 HB2 LEU 107 1HB LEU 107 -3.241 -3.184 -2.912 811 HB3 LEU 107 2HB LEU 107 -3.170 -3.563 -1.193 812 HG LEU 107 HG LEU 107 -0.767 -2.715 -2.800 813 HD11 LEU 107 1HD1 LEU 107 -2.921 -1.111 -2.340 814 HD12 LEU 107 2HD1 LEU 107 -1.261 -0.549 -2.538 815 HD13 LEU 107 3HD1 LEU 107 -1.922 -0.794 -0.921 816 HD21 LEU 107 1HD2 LEU 107 -0.759 -3.971 -0.461 817 HD22 LEU 107 2HD2 LEU 107 -1.045 -2.333 0.129 818 HD23 LEU 107 3HD2 LEU 107 0.387 -2.684 -0.840 819 H LEU 108 H LEU 108 -4.221 -5.403 -4.004 820 HA LEU 108 HA LEU 108 -6.204 -6.337 -2.345 821 HB2 LEU 108 1HB LEU 108 -5.585 -6.729 -5.230 822 HB3 LEU 108 2HB LEU 108 -6.874 -7.688 -4.506 823 HG LEU 108 HG LEU 108 -6.795 -4.675 -4.451 824 HD11 LEU 108 1HD1 LEU 108 -7.831 -6.586 -6.484 825 HD12 LEU 108 2HD1 LEU 108 -7.070 -5.009 -6.698 826 HD13 LEU 108 3HD1 LEU 108 -8.744 -5.114 -6.153 827 HD21 LEU 108 1HD2 LEU 108 -8.192 -6.303 -2.843 828 HD22 LEU 108 2HD2 LEU 108 -9.298 -6.226 -4.214 829 HD23 LEU 108 3HD2 LEU 108 -8.796 -4.743 -3.401 830 H ALA 109 H ALA 109 -3.700 -8.219 -4.004 831 HA ALA 109 HA ALA 109 -4.581 -10.765 -3.201 832 HB1 ALA 109 1HB ALA 109 -1.689 -10.530 -3.447 833 HB2 ALA 109 2HB ALA 109 -2.833 -11.492 -4.383 834 HB3 ALA 109 3HB ALA 109 -2.561 -9.799 -4.795 835 H VAL 110 H VAL 110 -2.086 -8.644 -1.794 836 HA VAL 110 HA VAL 110 -1.315 -10.255 0.325 837 HB VAL 110 HB VAL 110 -1.511 -7.240 0.303 838 HG11 VAL 110 1HG1 VAL 110 0.466 -8.757 1.935 839 HG12 VAL 110 2HG1 VAL 110 -0.231 -7.159 2.205 840 HG13 VAL 110 3HG1 VAL 110 -1.189 -8.605 2.525 841 HG21 VAL 110 1HG2 VAL 110 0.295 -7.185 -1.000 842 HG22 VAL 110 2HG2 VAL 110 1.128 -8.388 -0.014 843 HG23 VAL 110 3HG2 VAL 110 0.032 -8.904 -1.296 844 H ASN 111 H ASN 111 -3.807 -7.705 0.331 845 HA ASN 111 HA ASN 111 -4.662 -7.919 2.940 846 HB2 ASN 111 1HB ASN 111 -5.667 -6.162 1.837 847 HB3 ASN 111 2HB ASN 111 -5.988 -7.113 0.391 848 HD21 ASN 111 1HD2 ASN 111 -7.007 -6.515 3.693 849 HD22 ASN 111 2HD2 ASN 111 -8.632 -7.065 3.490 850 H LYS 112 H LYS 112 -5.450 -9.963 0.193 851 HA LYS 112 HA LYS 112 -7.480 -11.451 1.558 852 HB2 LYS 112 1HB LYS 112 -6.992 -11.131 -1.024 853 HB3 LYS 112 2HB LYS 112 -6.013 -12.573 -0.789 854 HG2 LYS 112 1HG LYS 112 -8.839 -12.523 0.172 855 HG3 LYS 112 2HG LYS 112 -8.487 -12.792 -1.537 856 HD2 LYS 112 1HD LYS 112 -7.260 -14.757 -1.076 857 HD3 LYS 112 2HD LYS 112 -7.179 -14.392 0.649 858 HE2 LYS 112 1HE LYS 112 -9.632 -15.154 -0.930 859 HE3 LYS 112 2HE LYS 112 -8.798 -16.142 0.267 860 HZ1 LYS 112 1HZ LYS 112 -10.754 -14.096 0.651 861 HZ2 LYS 112 2HZ LYS 112 -9.371 -13.822 1.585 862 HZ3 LYS 112 3HZ LYS 112 -10.213 -15.282 1.729 863 H ALA 113 H ALA 113 -4.150 -12.221 0.544 864 HA ALA 113 HA ALA 113 -3.943 -14.746 1.648 865 HB1 ALA 113 1HB ALA 113 -1.457 -14.151 1.869 866 HB2 ALA 113 2HB ALA 113 -2.185 -14.089 0.264 867 HB3 ALA 113 3HB ALA 113 -1.908 -12.598 1.165 868 H THR 114 H THR 114 -3.623 -11.607 3.199 869 HA THR 114 HA THR 114 -2.580 -12.529 5.661 870 HB THR 114 HB THR 114 -3.450 -10.349 6.575 871 HG1 THR 114 1HG THR 114 -5.228 -10.163 5.087 872 HG21 THR 114 1HG2 THR 114 -1.216 -10.396 5.741 873 HG22 THR 114 2HG2 THR 114 -1.974 -8.938 5.100 874 HG23 THR 114 3HG2 THR 114 -1.774 -10.355 4.069 875 H GLU 115 H GLU 115 -5.768 -12.493 4.316 876 HA GLU 115 HA GLU 115 -6.906 -13.244 6.924 877 HB2 GLU 115 1HB GLU 115 -9.027 -12.518 6.152 878 HB3 GLU 115 2HB GLU 115 -7.883 -11.268 5.682 879 HG2 GLU 115 1HG GLU 115 -8.051 -11.754 3.451 880 HG3 GLU 115 2HG GLU 115 -8.531 -13.425 3.740 881 H SER 116 H SER 116 -8.989 -14.697 6.483 882 HA SER 116 HA SER 116 -8.651 -16.658 4.406 883 HB2 SER 116 1HB SER 116 -8.109 -18.544 5.743 884 HB3 SER 116 2HB SER 116 -6.973 -17.285 6.226 885 HG SER 116 HG SER 116 -9.257 -18.225 7.596 886 H GLY 117 H GLY 117 -10.230 -18.590 4.907 887 HA2 GLY 117 1HA GLY 117 -12.414 -18.324 6.600 888 HA3 GLY 117 2HA GLY 117 -12.822 -17.452 5.130 889 HA PRO 118 HA PRO 118 -14.151 -21.173 3.242 890 HB2 PRO 118 1HB PRO 118 -13.465 -20.760 0.648 891 HB3 PRO 118 2HB PRO 118 -14.795 -19.904 1.438 892 HG2 PRO 118 1HG PRO 118 -11.993 -18.985 0.919 893 HG3 PRO 118 2HG PRO 118 -13.516 -18.097 0.725 894 HD2 PRO 118 1HD PRO 118 -11.901 -17.768 2.873 895 HD3 PRO 118 2HD PRO 118 -13.666 -17.614 2.974 896 H SER 119 H SER 119 -10.919 -20.180 2.111 897 HA SER 119 HA SER 119 -10.025 -22.624 1.173 898 HB2 SER 119 1HB SER 119 -8.879 -20.321 1.067 899 HB3 SER 119 2HB SER 119 -8.215 -20.720 2.651 900 HG SER 119 HG SER 119 -6.718 -21.572 1.396 901 H SER 120 H SER 120 -8.210 -23.931 2.213 902 HA SER 120 HA SER 120 -9.184 -24.865 4.788 903 HB2 SER 120 1HB SER 120 -7.040 -25.998 2.973 904 HB3 SER 120 2HB SER 120 -7.681 -26.781 4.417 905 HG SER 120 HG SER 120 -8.835 -27.622 2.764 906 H GLY 121 H GLY 121 -5.958 -24.159 3.422 907 HA2 GLY 121 1HA GLY 121 -5.229 -22.873 5.951 908 HA3 GLY 121 2HA GLY 121 -4.261 -24.241 5.421 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -16.548 -13.908 -4.119 2 HA2 GLY 1 1HA GLY 1 -17.451 -15.306 -1.985 3 HA3 GLY 1 2HA GLY 1 -15.943 -14.630 -1.387 4 H SER 2 H SER 2 -19.194 -13.936 -2.426 5 HA SER 2 HA SER 2 -20.417 -11.982 -2.438 6 HB2 SER 2 1HB SER 2 -20.514 -10.970 -0.153 7 HB3 SER 2 2HB SER 2 -20.668 -12.726 -0.149 8 HG SER 2 HG SER 2 -18.537 -11.117 0.702 9 H SER 3 H SER 3 -18.037 -11.548 -3.794 10 HA SER 3 HA SER 3 -17.062 -8.957 -2.827 11 HB2 SER 3 1HB SER 3 -15.567 -10.975 -3.647 12 HB3 SER 3 2HB SER 3 -15.923 -10.309 -5.241 13 HG SER 3 HG SER 3 -14.730 -8.945 -3.056 14 H GLY 4 H GLY 4 -17.414 -7.082 -3.898 15 HA2 GLY 4 1HA GLY 4 -18.477 -7.118 -6.608 16 HA3 GLY 4 2HA GLY 4 -19.562 -6.503 -5.369 17 H SER 5 H SER 5 -17.611 -5.206 -3.765 18 HA SER 5 HA SER 5 -17.541 -2.687 -4.952 19 HB2 SER 5 1HB SER 5 -16.210 -3.928 -2.585 20 HB3 SER 5 2HB SER 5 -15.622 -2.362 -3.143 21 HG SER 5 HG SER 5 -17.380 -1.453 -2.421 22 H SER 6 H SER 6 -16.189 -1.689 -6.312 23 HA SER 6 HA SER 6 -14.523 -2.845 -8.055 24 HB2 SER 6 1HB SER 6 -13.253 -0.662 -8.168 25 HB3 SER 6 2HB SER 6 -15.006 -0.509 -8.278 26 HG SER 6 HG SER 6 -13.587 0.840 -6.694 27 H GLY 7 H GLY 7 -13.262 -1.324 -5.077 28 HA2 GLY 7 1HA GLY 7 -11.772 -3.085 -3.865 29 HA3 GLY 7 2HA GLY 7 -10.840 -2.961 -5.349 30 H GLU 8 H GLU 8 -11.190 -0.161 -5.757 31 HA GLU 8 HA GLU 8 -9.003 0.912 -4.538 32 HB2 GLU 8 1HB GLU 8 -11.516 2.197 -5.564 33 HB3 GLU 8 2HB GLU 8 -10.237 3.172 -4.855 34 HG2 GLU 8 1HG GLU 8 -9.944 3.178 -7.212 35 HG3 GLU 8 2HG GLU 8 -8.661 2.194 -6.510 36 H GLU 9 H GLU 9 -12.357 1.475 -3.451 37 HA GLU 9 HA GLU 9 -11.717 2.842 -1.105 38 HB2 GLU 9 1HB GLU 9 -13.979 2.763 -2.087 39 HB3 GLU 9 2HB GLU 9 -14.113 1.072 -1.625 40 HG2 GLU 9 1HG GLU 9 -15.308 2.374 -0.034 41 HG3 GLU 9 2HG GLU 9 -13.851 1.760 0.746 42 H GLN 10 H GLN 10 -12.274 -0.622 -1.641 43 HA GLN 10 HA GLN 10 -12.171 -1.566 0.934 44 HB2 GLN 10 1HB GLN 10 -11.333 -2.697 -1.698 45 HB3 GLN 10 2HB GLN 10 -10.902 -3.573 -0.235 46 HG2 GLN 10 1HG GLN 10 -13.450 -3.232 0.319 47 HG3 GLN 10 2HG GLN 10 -13.572 -3.072 -1.432 48 HE21 GLN 10 1HE2 GLN 10 -13.257 -4.842 -2.722 49 HE22 GLN 10 2HE2 GLN 10 -13.115 -6.450 -2.105 50 H ILE 11 H ILE 11 -9.413 -0.939 -1.220 51 HA ILE 11 HA ILE 11 -7.412 -1.722 0.600 52 HB ILE 11 HB ILE 11 -7.196 0.291 -1.642 53 HG12 ILE 11 1HG1 ILE 11 -8.049 -2.021 -2.247 54 HG13 ILE 11 2HG1 ILE 11 -6.580 -1.511 -3.072 55 HG21 ILE 11 1HG2 ILE 11 -5.281 -0.785 0.274 56 HG22 ILE 11 2HG2 ILE 11 -4.777 -0.981 -1.403 57 HG23 ILE 11 3HG2 ILE 11 -5.161 0.623 -0.780 58 HD11 ILE 11 1HD1 ILE 11 -5.361 -3.147 -2.160 59 HD12 ILE 11 2HD1 ILE 11 -6.130 -2.981 -0.581 60 HD13 ILE 11 3HD1 ILE 11 -6.925 -3.903 -1.857 61 H VAL 12 H VAL 12 -8.960 1.392 -0.025 62 HA VAL 12 HA VAL 12 -7.314 3.028 1.517 63 HB VAL 12 HB VAL 12 -10.284 3.267 1.023 64 HG11 VAL 12 1HG1 VAL 12 -9.766 4.612 2.921 65 HG12 VAL 12 2HG1 VAL 12 -8.308 5.241 2.152 66 HG13 VAL 12 3HG1 VAL 12 -9.898 5.689 1.532 67 HG21 VAL 12 1HG2 VAL 12 -7.989 4.663 -0.343 68 HG22 VAL 12 2HG2 VAL 12 -8.805 3.237 -0.984 69 HG23 VAL 12 3HG2 VAL 12 -9.697 4.744 -0.773 70 H THR 13 H THR 13 -10.380 1.479 2.478 71 HA THR 13 HA THR 13 -10.190 2.233 5.198 72 HB THR 13 HB THR 13 -11.766 -0.025 3.948 73 HG1 THR 13 1HG THR 13 -12.153 2.303 3.345 74 HG21 THR 13 1HG2 THR 13 -13.058 -0.106 5.941 75 HG22 THR 13 2HG2 THR 13 -12.271 1.332 6.591 76 HG23 THR 13 3HG2 THR 13 -11.369 -0.176 6.441 77 H TRP 14 H TRP 14 -9.100 -0.577 3.398 78 HA TRP 14 HA TRP 14 -8.564 -2.340 5.470 79 HB2 TRP 14 1HB TRP 14 -8.380 -3.025 3.153 80 HB3 TRP 14 2HB TRP 14 -7.046 -1.904 2.890 81 HD1 TRP 14 HD TRP 14 -7.434 -4.456 5.782 82 HE1 TRP 14 1HE TRP 14 -5.383 -6.011 5.747 83 HE3 TRP 14 3HE TRP 14 -5.139 -2.676 1.575 84 HZ2 TRP 14 2HZ TRP 14 -3.095 -6.428 4.147 85 HZ3 TRP 14 3HZ TRP 14 -3.022 -3.708 0.860 86 HH2 TRP 14 HH TRP 14 -2.023 -5.544 2.121 87 H LEU 15 H LEU 15 -6.358 0.063 4.032 88 HA LEU 15 HA LEU 15 -4.187 -0.395 5.724 89 HB2 LEU 15 1HB LEU 15 -4.997 2.227 4.481 90 HB3 LEU 15 2HB LEU 15 -3.388 1.790 5.051 91 HG LEU 15 HG LEU 15 -4.782 0.384 2.780 92 HD11 LEU 15 1HD1 LEU 15 -2.883 1.774 1.542 93 HD12 LEU 15 2HD1 LEU 15 -3.227 2.903 2.851 94 HD13 LEU 15 3HD1 LEU 15 -4.519 2.395 1.764 95 HD21 LEU 15 1HD2 LEU 15 -2.437 -0.291 2.255 96 HD22 LEU 15 2HD2 LEU 15 -3.066 -0.956 3.763 97 HD23 LEU 15 3HD2 LEU 15 -1.947 0.407 3.799 98 H ILE 16 H ILE 16 -6.549 2.273 5.942 99 HA ILE 16 HA ILE 16 -5.795 3.392 8.312 100 HB ILE 16 HB ILE 16 -8.630 2.943 7.371 101 HG12 ILE 16 1HG1 ILE 16 -6.902 5.406 7.098 102 HG13 ILE 16 2HG1 ILE 16 -7.038 4.182 5.840 103 HG21 ILE 16 1HG2 ILE 16 -9.396 4.090 9.123 104 HG22 ILE 16 2HG2 ILE 16 -7.820 3.808 9.861 105 HG23 ILE 16 3HG2 ILE 16 -8.127 5.306 8.983 106 HD11 ILE 16 1HD1 ILE 16 -9.120 6.077 6.849 107 HD12 ILE 16 2HD1 ILE 16 -8.544 5.827 5.200 108 HD13 ILE 16 3HD1 ILE 16 -9.558 4.609 5.974 109 H SER 17 H SER 17 -8.417 0.978 8.106 110 HA SER 17 HA SER 17 -8.890 0.471 10.709 111 HB2 SER 17 1HB SER 17 -9.585 -1.762 10.109 112 HB3 SER 17 2HB SER 17 -9.976 -0.686 8.768 113 HG SER 17 HG SER 17 -8.564 -1.682 7.547 114 H LEU 18 H LEU 18 -6.281 -1.059 8.835 115 HA LEU 18 HA LEU 18 -5.210 -2.588 10.922 116 HB2 LEU 18 1HB LEU 18 -4.122 -1.512 8.355 117 HB3 LEU 18 2HB LEU 18 -3.044 -2.309 9.499 118 HG LEU 18 HG LEU 18 -5.504 -3.603 8.334 119 HD11 LEU 18 1HD1 LEU 18 -3.778 -2.993 6.623 120 HD12 LEU 18 2HD1 LEU 18 -4.109 -4.718 6.768 121 HD13 LEU 18 3HD1 LEU 18 -2.649 -4.038 7.486 122 HD21 LEU 18 1HD2 LEU 18 -4.741 -4.526 10.466 123 HD22 LEU 18 2HD2 LEU 18 -3.122 -4.736 9.799 124 HD23 LEU 18 3HD2 LEU 18 -4.474 -5.660 9.142 125 H GLY 19 H GLY 19 -4.420 0.690 9.812 126 HA2 GLY 19 1HA GLY 19 -3.937 2.318 11.605 127 HA3 GLY 19 2HA GLY 19 -2.945 1.070 12.345 128 H VAL 20 H VAL 20 -3.075 1.902 8.917 129 HA VAL 20 HA VAL 20 -0.305 2.887 9.124 130 HB VAL 20 HB VAL 20 0.054 1.945 6.822 131 HG11 VAL 20 1HG1 VAL 20 0.691 0.869 9.080 132 HG12 VAL 20 2HG1 VAL 20 -0.613 -0.268 8.728 133 HG13 VAL 20 3HG1 VAL 20 0.754 -0.122 7.622 134 HG21 VAL 20 1HG2 VAL 20 -2.697 1.481 6.958 135 HG22 VAL 20 2HG2 VAL 20 -1.588 0.961 5.688 136 HG23 VAL 20 3HG2 VAL 20 -1.949 -0.115 7.037 137 H LEU 21 H LEU 21 -3.468 3.514 8.166 138 HA LEU 21 HA LEU 21 -2.568 5.787 6.523 139 HB2 LEU 21 1HB LEU 21 -3.644 4.105 5.125 140 HB3 LEU 21 2HB LEU 21 -5.065 4.136 6.167 141 HG LEU 21 HG LEU 21 -5.407 6.521 5.500 142 HD11 LEU 21 1HD1 LEU 21 -4.081 7.608 4.033 143 HD12 LEU 21 2HD1 LEU 21 -3.695 6.147 3.126 144 HD13 LEU 21 3HD1 LEU 21 -2.866 6.486 4.645 145 HD21 LEU 21 1HD2 LEU 21 -6.852 5.670 4.049 146 HD22 LEU 21 2HD2 LEU 21 -5.971 4.142 4.094 147 HD23 LEU 21 3HD2 LEU 21 -5.556 5.365 2.892 148 H GLU 22 H GLU 22 -3.835 7.704 6.662 149 HA GLU 22 HA GLU 22 -4.865 8.173 9.301 150 HB2 GLU 22 1HB GLU 22 -5.116 10.484 8.583 151 HB3 GLU 22 2HB GLU 22 -3.537 9.870 8.114 152 HG2 GLU 22 1HG GLU 22 -5.784 9.743 6.164 153 HG3 GLU 22 2HG GLU 22 -4.972 11.280 6.453 154 H SER 23 H SER 23 -6.967 8.973 9.806 155 HA SER 23 HA SER 23 -9.034 7.987 7.955 156 HB2 SER 23 1HB SER 23 -8.973 6.805 10.109 157 HB3 SER 23 2HB SER 23 -9.168 8.337 10.961 158 HG SER 23 HG SER 23 -11.223 8.009 10.741 159 HA PRO 24 HA PRO 24 -9.598 12.538 7.862 160 HB2 PRO 24 1HB PRO 24 -10.515 12.577 5.307 161 HB3 PRO 24 2HB PRO 24 -8.794 12.578 5.710 162 HG2 PRO 24 1HG PRO 24 -10.542 10.296 4.875 163 HG3 PRO 24 2HG PRO 24 -8.892 10.689 4.357 164 HD2 PRO 24 1HD PRO 24 -9.424 8.790 6.213 165 HD3 PRO 24 2HD PRO 24 -7.946 9.774 6.249 166 H LYS 25 H LYS 25 -11.448 13.639 8.265 167 HA LYS 25 HA LYS 25 -13.891 12.113 8.535 168 HB2 LYS 25 1HB LYS 25 -14.775 14.088 9.644 169 HB3 LYS 25 2HB LYS 25 -13.187 13.694 10.291 170 HG2 LYS 25 1HG LYS 25 -12.233 15.430 8.757 171 HG3 LYS 25 2HG LYS 25 -13.891 15.903 8.375 172 HD2 LYS 25 1HD LYS 25 -14.269 16.285 10.809 173 HD3 LYS 25 2HD LYS 25 -12.553 15.972 11.078 174 HE2 LYS 25 1HE LYS 25 -12.836 18.333 10.968 175 HE3 LYS 25 2HE LYS 25 -12.056 17.828 9.470 176 HZ1 LYS 25 1HZ LYS 25 -14.885 18.607 9.873 177 HZ2 LYS 25 2HZ LYS 25 -14.353 17.810 8.479 178 HZ3 LYS 25 3HZ LYS 25 -13.736 19.337 8.867 179 H LYS 26 H LYS 26 -13.249 12.232 5.890 180 HA LYS 26 HA LYS 26 -15.482 13.784 4.832 181 HB2 LYS 26 1HB LYS 26 -13.121 14.956 4.618 182 HB3 LYS 26 2HB LYS 26 -12.936 13.843 3.269 183 HG2 LYS 26 1HG LYS 26 -14.593 14.847 2.034 184 HG3 LYS 26 2HG LYS 26 -15.401 15.509 3.457 185 HD2 LYS 26 1HD LYS 26 -13.668 17.154 3.739 186 HD3 LYS 26 2HD LYS 26 -12.710 16.427 2.447 187 HE2 LYS 26 1HE LYS 26 -13.688 18.122 1.277 188 HE3 LYS 26 2HE LYS 26 -14.917 16.878 1.057 189 HZ1 LYS 26 1HZ LYS 26 -16.208 17.826 2.815 190 HZ2 LYS 26 2HZ LYS 26 -15.826 19.057 1.720 191 HZ3 LYS 26 3HZ LYS 26 -14.993 18.944 3.188 192 H THR 27 H THR 27 -15.880 13.187 2.480 193 HA THR 27 HA THR 27 -15.518 10.285 2.205 194 HB THR 27 HB THR 27 -17.437 11.780 0.480 195 HG1 THR 27 1HG THR 27 -17.935 12.619 2.508 196 HG21 THR 27 1HG2 THR 27 -18.751 9.732 0.760 197 HG22 THR 27 2HG2 THR 27 -17.550 9.112 1.893 198 HG23 THR 27 3HG2 THR 27 -17.119 9.367 0.202 199 H ILE 28 H ILE 28 -13.836 9.783 0.955 200 HA ILE 28 HA ILE 28 -12.852 11.523 -1.096 201 HB ILE 28 HB ILE 28 -12.116 8.656 -0.496 202 HG12 ILE 28 1HG1 ILE 28 -10.389 10.992 0.191 203 HG13 ILE 28 2HG1 ILE 28 -11.770 10.645 1.226 204 HG21 ILE 28 1HG2 ILE 28 -11.268 10.545 -2.557 205 HG22 ILE 28 2HG2 ILE 28 -9.936 9.834 -1.648 206 HG23 ILE 28 3HG2 ILE 28 -11.090 8.793 -2.481 207 HD11 ILE 28 1HD1 ILE 28 -10.100 8.324 0.589 208 HD12 ILE 28 2HD1 ILE 28 -9.309 9.582 1.539 209 HD13 ILE 28 3HD1 ILE 28 -10.799 8.842 2.123 210 H CYS 29 H CYS 29 -14.285 11.803 -2.740 211 HA CYS 29 HA CYS 29 -15.900 9.787 -3.860 212 HB2 CYS 29 1HB CYS 29 -14.941 12.411 -5.017 213 HB3 CYS 29 2HB CYS 29 -16.161 11.389 -5.768 214 HG CYS 29 HG CYS 29 -18.170 11.973 -4.183 215 H ASP 30 H ASP 30 -12.785 11.140 -4.896 216 HA ASP 30 HA ASP 30 -12.533 8.933 -6.823 217 HB2 ASP 30 1HB ASP 30 -12.352 11.227 -7.747 218 HB3 ASP 30 2HB ASP 30 -10.970 11.520 -6.695 219 HA PRO 31 HA PRO 31 -9.692 7.680 -3.439 220 HB2 PRO 31 1HB PRO 31 -10.075 5.020 -3.823 221 HB3 PRO 31 2HB PRO 31 -11.154 6.012 -2.836 222 HG2 PRO 31 1HG PRO 31 -11.482 5.097 -5.667 223 HG3 PRO 31 2HG PRO 31 -12.681 5.147 -4.362 224 HD2 PRO 31 1HD PRO 31 -12.557 7.035 -6.298 225 HD3 PRO 31 2HD PRO 31 -13.076 7.400 -4.640 226 H GLU 32 H GLU 32 -9.889 7.036 -6.826 227 HA GLU 32 HA GLU 32 -7.618 5.438 -7.193 228 HB2 GLU 32 1HB GLU 32 -9.182 5.728 -8.993 229 HB3 GLU 32 2HB GLU 32 -8.925 7.467 -9.006 230 HG2 GLU 32 1HG GLU 32 -6.457 6.812 -9.525 231 HG3 GLU 32 2HG GLU 32 -7.176 5.286 -10.034 232 H GLU 33 H GLU 33 -7.975 8.974 -7.249 233 HA GLU 33 HA GLU 33 -5.179 9.429 -7.671 234 HB2 GLU 33 1HB GLU 33 -7.534 11.178 -7.042 235 HB3 GLU 33 2HB GLU 33 -5.903 11.826 -6.946 236 HG2 GLU 33 1HG GLU 33 -5.514 11.304 -9.268 237 HG3 GLU 33 2HG GLU 33 -7.093 10.529 -9.386 238 H PHE 34 H PHE 34 -7.355 9.568 -4.883 239 HA PHE 34 HA PHE 34 -5.561 10.593 -3.008 240 HB2 PHE 34 1HB PHE 34 -7.954 10.403 -2.559 241 HB3 PHE 34 2HB PHE 34 -7.838 8.647 -2.590 242 HD1 PHE 34 2HD PHE 34 -6.545 11.631 -0.791 243 HD2 PHE 34 1HD PHE 34 -7.453 7.476 -0.630 244 HE1 PHE 34 2HE PHE 34 -6.078 11.626 1.625 245 HE2 PHE 34 1HE PHE 34 -6.988 7.464 1.786 246 HZ PHE 34 HZ PHE 34 -6.298 9.540 2.916 247 H LEU 35 H LEU 35 -6.406 7.179 -3.601 248 HA LEU 35 HA LEU 35 -4.645 5.992 -1.843 249 HB2 LEU 35 1HB LEU 35 -5.838 5.152 -4.441 250 HB3 LEU 35 2HB LEU 35 -4.593 4.143 -3.709 251 HG LEU 35 HG LEU 35 -7.079 4.943 -2.219 252 HD11 LEU 35 1HD1 LEU 35 -7.453 3.695 -4.460 253 HD12 LEU 35 2HD1 LEU 35 -8.246 3.108 -2.999 254 HD13 LEU 35 3HD1 LEU 35 -6.794 2.305 -3.596 255 HD21 LEU 35 1HD2 LEU 35 -5.335 2.518 -1.882 256 HD22 LEU 35 2HD2 LEU 35 -6.530 3.175 -0.762 257 HD23 LEU 35 3HD2 LEU 35 -5.018 4.039 -1.048 258 H LYS 36 H LYS 36 -4.048 6.544 -5.318 259 HA LYS 36 HA LYS 36 -1.414 5.738 -5.422 260 HB2 LYS 36 1HB LYS 36 -2.708 8.009 -6.944 261 HB3 LYS 36 2HB LYS 36 -1.188 7.238 -7.377 262 HG2 LYS 36 1HG LYS 36 -2.215 5.295 -8.073 263 HG3 LYS 36 2HG LYS 36 -3.658 5.586 -7.100 264 HD2 LYS 36 1HD LYS 36 -4.424 6.051 -9.228 265 HD3 LYS 36 2HD LYS 36 -3.955 7.655 -8.660 266 HE2 LYS 36 1HE LYS 36 -1.730 7.281 -9.766 267 HE3 LYS 36 2HE LYS 36 -2.409 5.821 -10.484 268 HZ1 LYS 36 1HZ LYS 36 -2.578 8.397 -11.462 269 HZ2 LYS 36 2HZ LYS 36 -4.133 8.026 -10.909 270 HZ3 LYS 36 3HZ LYS 36 -3.381 7.028 -12.048 271 H SER 37 H SER 37 -2.724 8.863 -4.436 272 HA SER 37 HA SER 37 -0.277 10.240 -4.237 273 HB2 SER 37 1HB SER 37 -2.648 11.209 -4.189 274 HB3 SER 37 2HB SER 37 -2.673 10.770 -2.482 275 HG SER 37 HG SER 37 -0.606 12.020 -2.414 276 H SER 38 H SER 38 -1.960 8.088 -2.050 277 HA SER 38 HA SER 38 -0.253 8.676 0.193 278 HB2 SER 38 1HB SER 38 -2.481 7.990 0.718 279 HB3 SER 38 2HB SER 38 -2.348 6.555 -0.298 280 HG SER 38 HG SER 38 -2.064 5.973 1.854 281 H LEU 39 H LEU 39 -0.750 5.800 -1.857 282 HA LEU 39 HA LEU 39 1.392 4.311 -0.844 283 HB2 LEU 39 1HB LEU 39 0.322 4.203 -3.657 284 HB3 LEU 39 2HB LEU 39 1.167 2.923 -2.789 285 HG LEU 39 HG LEU 39 -1.515 3.983 -1.928 286 HD11 LEU 39 1HD1 LEU 39 -1.839 3.138 -4.139 287 HD12 LEU 39 2HD1 LEU 39 -2.433 1.930 -3.001 288 HD13 LEU 39 3HD1 LEU 39 -0.872 1.705 -3.790 289 HD21 LEU 39 1HD2 LEU 39 0.325 2.370 -0.650 290 HD22 LEU 39 2HD2 LEU 39 -0.819 1.223 -1.349 291 HD23 LEU 39 3HD2 LEU 39 -1.393 2.497 -0.271 292 H LYS 40 H LYS 40 1.246 6.739 -3.377 293 HA LYS 40 HA LYS 40 3.528 6.454 -4.781 294 HB2 LYS 40 1HB LYS 40 2.097 8.338 -5.180 295 HB3 LYS 40 2HB LYS 40 2.417 8.990 -3.578 296 HG2 LYS 40 1HG LYS 40 4.836 9.201 -4.300 297 HG3 LYS 40 2HG LYS 40 4.267 8.873 -5.939 298 HD2 LYS 40 1HD LYS 40 3.020 10.845 -6.027 299 HD3 LYS 40 2HD LYS 40 3.022 11.034 -4.272 300 HE2 LYS 40 1HE LYS 40 5.570 11.135 -5.851 301 HE3 LYS 40 2HE LYS 40 4.547 12.561 -5.681 302 HZ1 LYS 40 1HZ LYS 40 6.013 11.084 -3.590 303 HZ2 LYS 40 2HZ LYS 40 4.685 12.051 -3.190 304 HZ3 LYS 40 3HZ LYS 40 6.038 12.740 -3.936 305 H ASN 41 H ASN 41 3.431 8.245 -1.694 306 HA ASN 41 HA ASN 41 6.058 8.790 -1.317 307 HB2 ASN 41 1HB ASN 41 3.857 8.078 0.567 308 HB3 ASN 41 2HB ASN 41 5.494 8.174 1.209 309 HD21 ASN 41 1HD2 ASN 41 5.322 9.991 2.391 310 HD22 ASN 41 2HD2 ASN 41 4.963 11.550 1.737 311 H GLY 42 H GLY 42 4.474 5.705 -0.518 312 HA2 GLY 42 1HA GLY 42 5.535 3.601 -0.885 313 HA3 GLY 42 2HA GLY 42 7.095 4.399 -0.757 314 H VAL 43 H VAL 43 6.240 5.876 1.666 315 HA VAL 43 HA VAL 43 7.172 4.040 3.597 316 HB VAL 43 HB VAL 43 7.552 6.380 3.952 317 HG11 VAL 43 1HG1 VAL 43 5.239 7.600 4.705 318 HG12 VAL 43 2HG1 VAL 43 5.976 7.737 3.107 319 HG13 VAL 43 3HG1 VAL 43 4.682 6.571 3.386 320 HG21 VAL 43 1HG2 VAL 43 6.688 6.664 6.239 321 HG22 VAL 43 2HG2 VAL 43 5.583 5.314 5.976 322 HG23 VAL 43 3HG2 VAL 43 7.326 5.042 5.965 323 H VAL 44 H VAL 44 3.965 5.005 2.584 324 HA VAL 44 HA VAL 44 2.526 3.965 4.781 325 HB VAL 44 HB VAL 44 1.641 4.356 1.919 326 HG11 VAL 44 1HG1 VAL 44 0.301 2.740 3.389 327 HG12 VAL 44 2HG1 VAL 44 -0.169 4.173 4.305 328 HG13 VAL 44 3HG1 VAL 44 -0.575 4.046 2.593 329 HG21 VAL 44 1HG2 VAL 44 0.420 6.285 3.381 330 HG22 VAL 44 2HG2 VAL 44 1.959 6.146 4.230 331 HG23 VAL 44 3HG2 VAL 44 1.934 6.511 2.505 332 H LEU 45 H LEU 45 3.626 2.542 1.749 333 HA LEU 45 HA LEU 45 2.221 0.092 2.032 334 HB2 LEU 45 1HB LEU 45 4.598 0.934 0.402 335 HB3 LEU 45 2HB LEU 45 3.983 -0.718 0.371 336 HG LEU 45 HG LEU 45 2.122 1.539 -0.224 337 HD11 LEU 45 1HD1 LEU 45 3.410 0.385 -2.572 338 HD12 LEU 45 2HD1 LEU 45 4.492 1.366 -1.584 339 HD13 LEU 45 3HD1 LEU 45 2.997 2.061 -2.210 340 HD21 LEU 45 1HD2 LEU 45 1.231 -0.709 -0.004 341 HD22 LEU 45 2HD2 LEU 45 2.375 -1.301 -1.209 342 HD23 LEU 45 3HD2 LEU 45 1.113 -0.161 -1.677 343 H CYS 46 H CYS 46 5.434 1.188 2.981 344 HA CYS 46 HA CYS 46 6.463 -1.313 3.763 345 HB2 CYS 46 1HB CYS 46 7.136 1.489 4.671 346 HB3 CYS 46 2HB CYS 46 8.049 0.065 5.155 347 HG CYS 46 HG CYS 46 8.250 1.843 2.376 348 H LYS 47 H LYS 47 4.658 1.160 5.527 349 HA LYS 47 HA LYS 47 4.848 -0.040 8.076 350 HB2 LYS 47 1HB LYS 47 2.786 1.845 6.923 351 HB3 LYS 47 2HB LYS 47 2.858 1.386 8.619 352 HG2 LYS 47 1HG LYS 47 5.304 2.248 8.478 353 HG3 LYS 47 2HG LYS 47 4.728 3.093 7.040 354 HD2 LYS 47 1HD LYS 47 2.941 4.121 8.392 355 HD3 LYS 47 2HD LYS 47 3.583 3.313 9.825 356 HE2 LYS 47 1HE LYS 47 4.627 5.324 10.046 357 HE3 LYS 47 2HE LYS 47 5.815 4.505 9.032 358 HZ1 LYS 47 1HZ LYS 47 4.103 6.744 8.418 359 HZ2 LYS 47 2HZ LYS 47 4.148 5.563 7.209 360 HZ3 LYS 47 3HZ LYS 47 5.582 6.292 7.732 361 H LEU 48 H LEU 48 2.598 -0.443 5.405 362 HA LEU 48 HA LEU 48 0.629 -1.923 6.762 363 HB2 LEU 48 1HB LEU 48 0.185 -0.966 4.604 364 HB3 LEU 48 2HB LEU 48 1.467 -1.926 3.868 365 HG LEU 48 HG LEU 48 0.127 -3.971 4.386 366 HD11 LEU 48 1HD1 LEU 48 -1.872 -1.899 5.250 367 HD12 LEU 48 2HD1 LEU 48 -1.262 -3.280 6.163 368 HD13 LEU 48 3HD1 LEU 48 -2.330 -3.537 4.783 369 HD21 LEU 48 1HD2 LEU 48 -0.190 -2.069 2.338 370 HD22 LEU 48 2HD2 LEU 48 -1.808 -2.628 2.760 371 HD23 LEU 48 3HD2 LEU 48 -0.569 -3.790 2.287 372 H ILE 49 H ILE 49 3.125 -3.156 4.526 373 HA ILE 49 HA ILE 49 2.783 -5.851 5.020 374 HB ILE 49 HB ILE 49 4.218 -4.966 3.226 375 HG12 ILE 49 1HG1 ILE 49 6.157 -6.597 3.606 376 HG13 ILE 49 2HG1 ILE 49 5.417 -6.939 5.166 377 HG21 ILE 49 1HG2 ILE 49 6.152 -4.362 5.459 378 HG22 ILE 49 2HG2 ILE 49 6.514 -4.259 3.737 379 HG23 ILE 49 3HG2 ILE 49 5.316 -3.181 4.451 380 HD11 ILE 49 1HD1 ILE 49 4.687 -7.854 2.510 381 HD12 ILE 49 2HD1 ILE 49 4.290 -8.523 4.093 382 HD13 ILE 49 3HD1 ILE 49 3.320 -7.213 3.421 383 H ASN 50 H ASN 50 4.436 -3.449 6.937 384 HA ASN 50 HA ASN 50 5.926 -5.195 8.580 385 HB2 ASN 50 1HB ASN 50 5.029 -2.353 8.762 386 HB3 ASN 50 2HB ASN 50 5.633 -3.131 10.222 387 HD21 ASN 50 1HD2 ASN 50 6.587 -1.072 8.073 388 HD22 ASN 50 2HD2 ASN 50 8.238 -1.523 7.842 389 H ARG 51 H ARG 51 2.684 -3.808 8.896 390 HA ARG 51 HA ARG 51 2.172 -4.921 11.463 391 HB2 ARG 51 1HB ARG 51 0.966 -2.956 10.543 392 HB3 ARG 51 2HB ARG 51 0.193 -4.011 9.367 393 HG2 ARG 51 1HG ARG 51 -1.445 -3.946 10.934 394 HG3 ARG 51 2HG ARG 51 -0.522 -5.318 11.552 395 HD2 ARG 51 1HD ARG 51 0.777 -3.407 12.834 396 HD3 ARG 51 2HD ARG 51 -0.740 -2.540 12.595 397 HE ARG 51 HE ARG 51 -1.350 -5.061 13.615 398 HH11 ARG 51 1HH1 ARG 51 0.279 -2.149 14.607 399 HH12 ARG 51 2HH1 ARG 51 -0.081 -2.365 16.288 400 HH21 ARG 51 1HH2 ARG 51 -1.830 -5.357 15.825 401 HH22 ARG 51 2HH2 ARG 51 -1.280 -4.191 16.980 402 H LEU 52 H LEU 52 1.598 -5.989 8.161 403 HA LEU 52 HA LEU 52 -0.072 -8.184 8.786 404 HB2 LEU 52 1HB LEU 52 1.783 -7.910 6.429 405 HB3 LEU 52 2HB LEU 52 0.361 -8.945 6.546 406 HG LEU 52 HG LEU 52 0.329 -5.927 6.506 407 HD11 LEU 52 1HD1 LEU 52 -0.850 -6.417 4.278 408 HD12 LEU 52 2HD1 LEU 52 -0.087 -8.003 4.386 409 HD13 LEU 52 3HD1 LEU 52 0.908 -6.548 4.339 410 HD21 LEU 52 1HD2 LEU 52 -1.679 -7.963 7.121 411 HD22 LEU 52 2HD2 LEU 52 -2.181 -6.809 5.885 412 HD23 LEU 52 3HD2 LEU 52 -1.667 -6.234 7.472 413 H MET 53 H MET 53 3.415 -8.018 8.067 414 HA MET 53 HA MET 53 3.716 -10.614 9.430 415 HB2 MET 53 1HB MET 53 5.327 -9.460 7.149 416 HB3 MET 53 2HB MET 53 5.754 -10.927 8.019 417 HG2 MET 53 1HG MET 53 3.109 -10.605 6.645 418 HG3 MET 53 2HG MET 53 4.544 -11.183 5.801 419 HE1 MET 53 1HE MET 53 5.970 -12.935 6.554 420 HE2 MET 53 2HE MET 53 5.518 -14.358 7.493 421 HE3 MET 53 3HE MET 53 4.925 -14.165 5.842 422 HA PRO 54 HA PRO 54 6.146 -8.378 12.375 423 HB2 PRO 54 1HB PRO 54 7.210 -10.529 13.646 424 HB3 PRO 54 2HB PRO 54 5.535 -10.010 13.873 425 HG2 PRO 54 1HG PRO 54 6.623 -12.194 12.138 426 HG3 PRO 54 2HG PRO 54 5.190 -12.204 13.183 427 HD2 PRO 54 1HD PRO 54 5.037 -11.851 10.502 428 HD3 PRO 54 2HD PRO 54 3.897 -11.092 11.632 429 H GLY 55 H GLY 55 7.731 -7.386 11.125 430 HA2 GLY 55 1HA GLY 55 10.093 -7.109 10.973 431 HA3 GLY 55 2HA GLY 55 10.268 -8.858 10.994 432 H SER 56 H SER 56 8.373 -6.605 8.984 433 HA SER 56 HA SER 56 9.096 -8.107 6.615 434 HB2 SER 56 1HB SER 56 7.431 -5.588 6.834 435 HB3 SER 56 2HB SER 56 7.519 -6.676 5.449 436 HG SER 56 HG SER 56 6.708 -7.592 7.993 437 H VAL 57 H VAL 57 9.266 -4.659 7.525 438 HA VAL 57 HA VAL 57 11.490 -4.338 5.634 439 HB VAL 57 HB VAL 57 9.753 -2.254 6.963 440 HG11 VAL 57 1HG1 VAL 57 12.344 -2.046 5.739 441 HG12 VAL 57 2HG1 VAL 57 11.151 -1.139 4.807 442 HG13 VAL 57 3HG1 VAL 57 11.375 -0.800 6.524 443 HG21 VAL 57 1HG2 VAL 57 8.686 -1.966 4.892 444 HG22 VAL 57 2HG2 VAL 57 9.914 -2.895 4.032 445 HG23 VAL 57 3HG2 VAL 57 8.783 -3.714 5.109 446 H GLU 58 H GLU 58 13.500 -3.854 6.297 447 HA GLU 58 HA GLU 58 14.140 -4.065 9.075 448 HB2 GLU 58 1HB GLU 58 15.517 -4.677 6.879 449 HB3 GLU 58 2HB GLU 58 16.144 -3.052 7.119 450 HG2 GLU 58 1HG GLU 58 17.674 -4.234 8.306 451 HG3 GLU 58 2HG GLU 58 16.497 -3.914 9.579 452 H LYS 59 H LYS 59 14.744 -1.457 6.714 453 HA LYS 59 HA LYS 59 14.131 0.517 8.771 454 HB2 LYS 59 1HB LYS 59 16.746 0.485 7.252 455 HB3 LYS 59 2HB LYS 59 16.198 1.786 8.301 456 HG2 LYS 59 1HG LYS 59 17.535 0.687 9.762 457 HG3 LYS 59 2HG LYS 59 16.034 -0.195 10.052 458 HD2 LYS 59 1HD LYS 59 16.742 -2.048 8.842 459 HD3 LYS 59 2HD LYS 59 17.961 -1.127 7.957 460 HE2 LYS 59 1HE LYS 59 19.114 -2.498 9.521 461 HE3 LYS 59 2HE LYS 59 19.185 -0.845 10.128 462 HZ1 LYS 59 1HZ LYS 59 18.250 -1.528 11.997 463 HZ2 LYS 59 2HZ LYS 59 18.189 -3.116 11.417 464 HZ3 LYS 59 3HZ LYS 59 16.886 -2.069 11.156 465 H PHE 60 H PHE 60 12.535 1.600 7.808 466 HA PHE 60 HA PHE 60 12.901 2.407 4.998 467 HB2 PHE 60 1HB PHE 60 10.493 2.445 4.764 468 HB3 PHE 60 2HB PHE 60 10.977 0.880 5.410 469 HD1 PHE 60 2HD PHE 60 10.801 0.543 7.936 470 HD2 PHE 60 1HD PHE 60 8.902 3.734 5.856 471 HE1 PHE 60 2HE PHE 60 9.244 0.838 9.818 472 HE2 PHE 60 1HE PHE 60 7.342 4.035 7.734 473 HZ PHE 60 HZ PHE 60 7.511 2.586 9.718 474 H CYS 61 H CYS 61 11.645 4.461 4.461 475 HA CYS 61 HA CYS 61 12.394 6.479 6.427 476 HB2 CYS 61 1HB CYS 61 12.863 6.471 3.819 477 HB3 CYS 61 2HB CYS 61 11.256 7.186 3.758 478 HG CYS 61 HG CYS 61 14.123 8.619 4.425 479 H LEU 62 H LEU 62 10.961 7.358 7.753 480 HA LEU 62 HA LEU 62 8.178 6.748 7.569 481 HB2 LEU 62 1HB LEU 62 9.773 8.550 9.373 482 HB3 LEU 62 2HB LEU 62 8.025 8.372 9.509 483 HG LEU 62 HG LEU 62 10.031 6.141 9.840 484 HD11 LEU 62 1HD1 LEU 62 10.138 7.826 11.635 485 HD12 LEU 62 2HD1 LEU 62 9.539 6.267 12.200 486 HD13 LEU 62 3HD1 LEU 62 8.414 7.597 11.926 487 HD21 LEU 62 1HD2 LEU 62 7.181 6.176 9.430 488 HD22 LEU 62 2HD2 LEU 62 7.578 5.494 11.008 489 HD23 LEU 62 3HD2 LEU 62 8.283 4.803 9.546 490 H ASP 63 H ASP 63 10.095 9.703 7.132 491 HA ASP 63 HA ASP 63 7.852 10.826 5.598 492 HB2 ASP 63 1HB ASP 63 8.589 13.093 6.530 493 HB3 ASP 63 2HB ASP 63 7.708 12.028 7.623 494 HA PRO 64 HA PRO 64 11.548 10.888 2.919 495 HB2 PRO 64 1HB PRO 64 10.128 10.695 0.613 496 HB3 PRO 64 2HB PRO 64 10.560 9.291 1.595 497 HG2 PRO 64 1HG PRO 64 7.976 10.798 1.478 498 HG3 PRO 64 2HG PRO 64 8.248 9.047 1.533 499 HD2 PRO 64 1HD PRO 64 7.549 10.482 3.720 500 HD3 PRO 64 2HD PRO 64 8.586 9.044 3.813 501 H GLN 65 H GLN 65 12.146 13.019 3.227 502 HA GLN 65 HA GLN 65 10.540 15.233 2.454 503 HB2 GLN 65 1HB GLN 65 12.559 15.082 4.120 504 HB3 GLN 65 2HB GLN 65 13.519 15.416 2.685 505 HG2 GLN 65 1HG GLN 65 13.101 17.476 3.802 506 HG3 GLN 65 2HG GLN 65 12.155 17.455 2.315 507 HE21 GLN 65 1HE2 GLN 65 11.831 16.492 5.717 508 HE22 GLN 65 2HE2 GLN 65 10.219 17.084 5.908 509 H THR 66 H THR 66 12.911 13.262 0.831 510 HA THR 66 HA THR 66 12.528 14.886 -1.599 511 HB THR 66 HB THR 66 14.786 14.289 -2.325 512 HG1 THR 66 1HG THR 66 14.660 12.695 -0.048 513 HG21 THR 66 1HG2 THR 66 14.459 15.650 0.328 514 HG22 THR 66 2HG2 THR 66 14.780 16.361 -1.254 515 HG23 THR 66 3HG2 THR 66 16.051 15.478 -0.409 516 H GLU 67 H GLU 67 13.114 13.567 -3.619 517 HA GLU 67 HA GLU 67 11.352 11.406 -3.832 518 HB2 GLU 67 1HB GLU 67 11.847 12.540 -5.829 519 HB3 GLU 67 2HB GLU 67 13.582 12.414 -5.575 520 HG2 GLU 67 1HG GLU 67 13.487 10.022 -6.004 521 HG3 GLU 67 2HG GLU 67 11.741 10.123 -6.223 522 H ALA 68 H ALA 68 14.919 11.368 -3.857 523 HA ALA 68 HA ALA 68 15.494 8.747 -4.039 524 HB1 ALA 68 1HB ALA 68 17.434 9.129 -2.569 525 HB2 ALA 68 2HB ALA 68 17.217 10.419 -3.753 526 HB3 ALA 68 3HB ALA 68 16.733 10.671 -2.076 527 H ASP 69 H ASP 69 14.159 10.345 -1.200 528 HA ASP 69 HA ASP 69 14.378 8.094 0.531 529 HB2 ASP 69 1HB ASP 69 12.889 10.696 0.628 530 HB3 ASP 69 2HB ASP 69 12.540 9.440 1.812 531 H CYS 70 H CYS 70 11.840 9.346 -1.575 532 HA CYS 70 HA CYS 70 9.779 7.627 -0.733 533 HB2 CYS 70 1HB CYS 70 10.281 9.117 -3.303 534 HB3 CYS 70 2HB CYS 70 8.857 8.108 -3.082 535 HG CYS 70 HG CYS 70 8.650 9.813 -0.484 536 H ILE 71 H ILE 71 11.866 7.395 -3.618 537 HA ILE 71 HA ILE 71 11.043 4.994 -4.625 538 HB ILE 71 HB ILE 71 13.904 5.947 -4.456 539 HG12 ILE 71 1HG1 ILE 71 12.637 7.636 -5.541 540 HG13 ILE 71 2HG1 ILE 71 13.390 6.705 -6.832 541 HG21 ILE 71 1HG2 ILE 71 12.991 4.287 -6.716 542 HG22 ILE 71 2HG2 ILE 71 14.535 4.300 -5.865 543 HG23 ILE 71 3HG2 ILE 71 13.149 3.467 -5.163 544 HD11 ILE 71 1HD1 ILE 71 11.281 5.478 -7.135 545 HD12 ILE 71 2HD1 ILE 71 10.539 6.493 -5.897 546 HD13 ILE 71 3HD1 ILE 71 11.111 7.212 -7.403 547 H ASN 72 H ASN 72 13.385 5.501 -2.010 548 HA ASN 72 HA ASN 72 14.149 2.850 -1.620 549 HB2 ASN 72 1HB ASN 72 13.981 5.206 0.250 550 HB3 ASN 72 2HB ASN 72 14.557 3.634 0.797 551 HD21 ASN 72 1HD2 ASN 72 16.146 5.869 0.909 552 HD22 ASN 72 2HD2 ASN 72 17.442 5.710 -0.222 553 H ASN 73 H ASN 73 11.501 4.680 -0.113 554 HA ASN 73 HA ASN 73 10.563 2.698 1.600 555 HB2 ASN 73 1HB ASN 73 8.886 4.754 0.146 556 HB3 ASN 73 2HB ASN 73 8.466 3.926 1.642 557 HD21 ASN 73 1HD2 ASN 73 8.209 6.306 2.168 558 HD22 ASN 73 2HD2 ASN 73 9.584 7.088 2.862 559 H ILE 74 H ILE 74 9.440 3.471 -1.694 560 HA ILE 74 HA ILE 74 7.528 1.501 -1.974 561 HB ILE 74 HB ILE 74 9.386 2.665 -4.044 562 HG12 ILE 74 1HG1 ILE 74 6.438 3.162 -3.642 563 HG13 ILE 74 2HG1 ILE 74 7.672 4.112 -2.822 564 HG21 ILE 74 1HG2 ILE 74 7.331 1.792 -5.516 565 HG22 ILE 74 2HG2 ILE 74 8.784 0.835 -5.233 566 HG23 ILE 74 3HG2 ILE 74 7.337 0.547 -4.267 567 HD11 ILE 74 1HD1 ILE 74 8.596 4.666 -5.087 568 HD12 ILE 74 2HD1 ILE 74 7.151 3.921 -5.771 569 HD13 ILE 74 3HD1 ILE 74 7.004 5.334 -4.726 570 H ASN 75 H ASN 75 10.962 1.285 -2.913 571 HA ASN 75 HA ASN 75 10.949 -1.364 -3.761 572 HB2 ASN 75 1HB ASN 75 13.049 0.498 -2.742 573 HB3 ASN 75 2HB ASN 75 13.453 -1.209 -2.897 574 HD21 ASN 75 1HD2 ASN 75 12.509 1.680 -4.597 575 HD22 ASN 75 2HD2 ASN 75 12.961 1.138 -6.174 576 H ASP 76 H ASP 76 11.770 -0.070 -0.547 577 HA ASP 76 HA ASP 76 12.416 -2.350 0.799 578 HB2 ASP 76 1HB ASP 76 10.852 0.062 1.702 579 HB3 ASP 76 2HB ASP 76 11.276 -1.237 2.814 580 H PHE 77 H PHE 77 9.126 -1.118 0.253 581 HA PHE 77 HA PHE 77 7.699 -3.045 1.633 582 HB2 PHE 77 1HB PHE 77 6.488 -1.192 0.812 583 HB3 PHE 77 2HB PHE 77 7.043 -1.455 -0.838 584 HD1 PHE 77 1HD PHE 77 5.222 -3.374 1.799 585 HD2 PHE 77 2HD PHE 77 5.476 -2.252 -2.299 586 HE1 PHE 77 1HE PHE 77 3.180 -4.661 1.324 587 HE2 PHE 77 2HE PHE 77 3.434 -3.536 -2.781 588 HZ PHE 77 HZ PHE 77 2.282 -4.742 -0.968 589 H LEU 78 H LEU 78 8.876 -3.128 -1.708 590 HA LEU 78 HA LEU 78 7.711 -5.509 -2.531 591 HB2 LEU 78 1HB LEU 78 10.430 -4.437 -3.269 592 HB3 LEU 78 2HB LEU 78 9.526 -5.657 -4.165 593 HG LEU 78 HG LEU 78 8.612 -2.809 -3.768 594 HD11 LEU 78 1HD1 LEU 78 10.713 -3.045 -5.111 595 HD12 LEU 78 2HD1 LEU 78 9.347 -2.349 -5.982 596 HD13 LEU 78 3HD1 LEU 78 9.797 -4.032 -6.250 597 HD21 LEU 78 1HD2 LEU 78 7.516 -4.155 -6.036 598 HD22 LEU 78 2HD2 LEU 78 6.683 -3.470 -4.640 599 HD23 LEU 78 3HD2 LEU 78 7.254 -5.138 -4.596 600 H LYS 79 H LYS 79 10.963 -5.050 -1.142 601 HA LYS 79 HA LYS 79 12.006 -7.502 -1.062 602 HB2 LYS 79 1HB LYS 79 11.951 -5.330 0.975 603 HB3 LYS 79 2HB LYS 79 12.606 -6.888 1.462 604 HG2 LYS 79 1HG LYS 79 14.512 -5.905 0.730 605 HG3 LYS 79 2HG LYS 79 13.964 -6.610 -0.792 606 HD2 LYS 79 1HD LYS 79 12.699 -4.296 -0.993 607 HD3 LYS 79 2HD LYS 79 13.985 -3.769 0.095 608 HE2 LYS 79 1HE LYS 79 14.938 -3.362 -1.958 609 HE3 LYS 79 2HE LYS 79 15.535 -4.986 -1.619 610 HZ1 LYS 79 1HZ LYS 79 13.026 -4.628 -3.117 611 HZ2 LYS 79 2HZ LYS 79 14.114 -5.922 -3.149 612 HZ3 LYS 79 3HZ LYS 79 14.510 -4.466 -3.913 613 H GLY 80 H GLY 80 9.559 -6.393 1.281 614 HA2 GLY 80 1HA GLY 80 9.322 -8.989 2.487 615 HA3 GLY 80 2HA GLY 80 8.298 -7.596 2.799 616 H CYS 81 H CYS 81 7.683 -7.278 -0.078 617 HA CYS 81 HA CYS 81 5.284 -8.665 -0.189 618 HB2 CYS 81 1HB CYS 81 4.975 -7.694 -2.248 619 HB3 CYS 81 2HB CYS 81 6.266 -6.670 -1.629 620 HG CYS 81 HG CYS 81 8.293 -7.967 -3.036 621 H ALA 82 H ALA 82 8.450 -9.536 -1.481 622 HA ALA 82 HA ALA 82 7.833 -11.684 -3.076 623 HB1 ALA 82 1HB ALA 82 10.047 -11.619 -3.213 624 HB2 ALA 82 2HB ALA 82 10.165 -10.719 -1.701 625 HB3 ALA 82 3HB ALA 82 10.118 -12.481 -1.676 626 H THR 83 H THR 83 8.272 -11.680 0.448 627 HA THR 83 HA THR 83 8.068 -14.369 0.985 628 HB THR 83 HB THR 83 6.840 -12.141 2.621 629 HG1 THR 83 1HG THR 83 8.841 -11.644 3.063 630 HG21 THR 83 1HG2 THR 83 7.751 -14.062 4.355 631 HG22 THR 83 2HG2 THR 83 7.099 -15.026 3.029 632 HG23 THR 83 3HG2 THR 83 6.073 -13.853 3.855 633 H LEU 84 H LEU 84 5.436 -12.051 0.475 634 HA LEU 84 HA LEU 84 3.342 -13.898 0.988 635 HB2 LEU 84 1HB LEU 84 3.445 -11.259 -0.449 636 HB3 LEU 84 2HB LEU 84 1.955 -12.184 -0.275 637 HG LEU 84 HG LEU 84 3.562 -11.360 2.122 638 HD11 LEU 84 1HD1 LEU 84 2.335 -9.585 0.292 639 HD12 LEU 84 2HD1 LEU 84 3.041 -9.224 1.867 640 HD13 LEU 84 3HD1 LEU 84 1.332 -9.640 1.741 641 HD21 LEU 84 1HD2 LEU 84 1.984 -12.702 2.992 642 HD22 LEU 84 2HD2 LEU 84 0.945 -12.576 1.572 643 HD23 LEU 84 3HD2 LEU 84 0.935 -11.298 2.789 644 H GLN 85 H GLN 85 5.356 -13.294 -1.734 645 HA GLN 85 HA GLN 85 5.478 -14.205 -3.815 646 HB2 GLN 85 1HB GLN 85 3.745 -16.294 -2.491 647 HB3 GLN 85 2HB GLN 85 4.427 -16.469 -4.103 648 HG2 GLN 85 1HG GLN 85 6.243 -15.856 -1.827 649 HG3 GLN 85 2HG GLN 85 5.619 -17.493 -2.013 650 HE21 GLN 85 1HE2 GLN 85 7.983 -17.874 -2.246 651 HE22 GLN 85 2HE2 GLN 85 8.656 -17.772 -3.834 652 H VAL 86 H VAL 86 3.689 -12.145 -3.602 653 HA VAL 86 HA VAL 86 1.486 -13.008 -5.362 654 HB VAL 86 HB VAL 86 0.201 -11.058 -4.518 655 HG11 VAL 86 1HG1 VAL 86 0.994 -12.818 -2.216 656 HG12 VAL 86 2HG1 VAL 86 -0.589 -12.130 -2.583 657 HG13 VAL 86 3HG1 VAL 86 0.064 -13.427 -3.585 658 HG21 VAL 86 1HG2 VAL 86 1.274 -10.459 -2.081 659 HG22 VAL 86 2HG2 VAL 86 2.715 -10.595 -3.089 660 HG23 VAL 86 3HG2 VAL 86 1.434 -9.465 -3.529 661 H GLU 87 H GLU 87 0.600 -11.019 -6.621 662 HA GLU 87 HA GLU 87 2.394 -10.239 -8.525 663 HB2 GLU 87 1HB GLU 87 -0.085 -8.833 -7.541 664 HB3 GLU 87 2HB GLU 87 0.819 -8.287 -8.946 665 HG2 GLU 87 1HG GLU 87 0.437 -10.439 -10.033 666 HG3 GLU 87 2HG GLU 87 -0.469 -10.989 -8.624 667 H ILE 88 H ILE 88 3.443 -8.223 -9.008 668 HA ILE 88 HA ILE 88 3.955 -6.451 -6.741 669 HB ILE 88 HB ILE 88 6.399 -6.505 -7.176 670 HG12 ILE 88 1HG1 ILE 88 6.079 -9.124 -8.573 671 HG13 ILE 88 2HG1 ILE 88 5.885 -7.649 -9.513 672 HG21 ILE 88 1HG2 ILE 88 5.340 -7.790 -5.344 673 HG22 ILE 88 2HG2 ILE 88 5.269 -9.192 -6.411 674 HG23 ILE 88 3HG2 ILE 88 6.831 -8.524 -5.936 675 HD11 ILE 88 1HD1 ILE 88 8.098 -7.927 -9.813 676 HD12 ILE 88 2HD1 ILE 88 8.181 -7.077 -8.270 677 HD13 ILE 88 3HD1 ILE 88 8.301 -8.836 -8.316 678 H PHE 89 H PHE 89 5.647 -4.695 -7.599 679 HA PHE 89 HA PHE 89 5.163 -3.994 -10.377 680 HB2 PHE 89 1HB PHE 89 4.389 -1.685 -9.701 681 HB3 PHE 89 2HB PHE 89 3.232 -2.980 -9.409 682 HD1 PHE 89 1HD PHE 89 5.767 -0.839 -7.766 683 HD2 PHE 89 2HD PHE 89 2.386 -3.375 -7.265 684 HE1 PHE 89 1HE PHE 89 5.609 -0.156 -5.408 685 HE2 PHE 89 2HE PHE 89 2.222 -2.695 -4.906 686 HZ PHE 89 HZ PHE 89 3.834 -1.083 -3.975 687 H ASP 90 H ASP 90 6.129 -1.546 -10.580 688 HA ASP 90 HA ASP 90 8.855 -1.785 -9.509 689 HB2 ASP 90 1HB ASP 90 7.714 -0.669 -12.032 690 HB3 ASP 90 2HB ASP 90 9.197 0.042 -11.401 691 HA PRO 91 HA PRO 91 8.552 1.867 -7.101 692 HB2 PRO 91 1HB PRO 91 10.978 3.022 -7.484 693 HB3 PRO 91 2HB PRO 91 10.754 1.555 -6.524 694 HG2 PRO 91 1HG PRO 91 11.673 1.842 -9.359 695 HG3 PRO 91 2HG PRO 91 12.304 0.789 -8.079 696 HD2 PRO 91 1HD PRO 91 10.642 -0.111 -10.019 697 HD3 PRO 91 2HD PRO 91 10.639 -0.778 -8.374 698 H ASP 92 H ASP 92 8.876 2.049 -10.472 699 HA ASP 92 HA ASP 92 8.703 4.960 -10.558 700 HB2 ASP 92 1HB ASP 92 9.081 4.796 -12.893 701 HB3 ASP 92 2HB ASP 92 10.143 3.598 -12.158 702 H ASP 93 H ASP 93 6.794 2.106 -11.416 703 HA ASP 93 HA ASP 93 4.614 3.371 -12.592 704 HB2 ASP 93 1HB ASP 93 4.555 0.887 -10.865 705 HB3 ASP 93 2HB ASP 93 3.342 1.360 -12.051 706 H LEU 94 H LEU 94 5.081 2.477 -9.177 707 HA LEU 94 HA LEU 94 2.651 3.691 -8.315 708 HB2 LEU 94 1HB LEU 94 3.496 1.944 -6.981 709 HB3 LEU 94 2HB LEU 94 5.092 2.685 -6.885 710 HG LEU 94 HG LEU 94 4.201 4.432 -5.429 711 HD11 LEU 94 1HD1 LEU 94 1.655 3.072 -4.933 712 HD12 LEU 94 2HD1 LEU 94 1.776 3.849 -6.511 713 HD13 LEU 94 3HD1 LEU 94 2.025 4.793 -5.042 714 HD21 LEU 94 1HD2 LEU 94 3.278 1.821 -4.287 715 HD22 LEU 94 2HD2 LEU 94 4.119 3.152 -3.491 716 HD23 LEU 94 3HD2 LEU 94 4.985 2.111 -4.621 717 H TYR 95 H TYR 95 6.065 4.609 -7.833 718 HA TYR 95 HA TYR 95 5.653 7.047 -6.595 719 HB2 TYR 95 1HB TYR 95 7.860 6.011 -6.783 720 HB3 TYR 95 2HB TYR 95 7.861 6.289 -8.521 721 HD1 TYR 95 2HD TYR 95 7.177 8.383 -5.492 722 HD2 TYR 95 1HD TYR 95 9.294 7.969 -9.160 723 HE1 TYR 95 2HE TYR 95 8.216 10.583 -5.134 724 HE2 TYR 95 1HE TYR 95 10.339 10.168 -8.812 725 HH TYR 95 HH TYR 95 9.250 12.422 -6.788 726 H SER 96 H SER 96 6.312 6.561 -10.069 727 HA SER 96 HA SER 96 5.623 9.242 -10.746 728 HB2 SER 96 1HB SER 96 7.191 7.799 -12.067 729 HB3 SER 96 2HB SER 96 5.801 6.853 -12.597 730 HG SER 96 HG SER 96 6.216 9.627 -13.046 731 H GLY 97 H GLY 97 4.033 6.147 -11.560 732 HA2 GLY 97 1HA GLY 97 1.632 5.945 -11.057 733 HA3 GLY 97 2HA GLY 97 1.468 7.615 -11.578 734 H VAL 98 H VAL 98 3.282 4.987 -13.113 735 HA VAL 98 HA VAL 98 2.031 5.586 -15.647 736 HB VAL 98 HB VAL 98 4.062 3.469 -14.925 737 HG11 VAL 98 1HG1 VAL 98 3.026 4.392 -17.601 738 HG12 VAL 98 2HG1 VAL 98 4.455 3.380 -17.381 739 HG13 VAL 98 3HG1 VAL 98 2.867 2.786 -16.891 740 HG21 VAL 98 1HG2 VAL 98 5.697 4.949 -15.914 741 HG22 VAL 98 2HG2 VAL 98 4.441 6.120 -16.317 742 HG23 VAL 98 3HG2 VAL 98 4.838 5.798 -14.629 743 H ASN 99 H ASN 99 2.195 2.796 -13.451 744 HA ASN 99 HA ASN 99 -0.312 1.824 -14.635 745 HB2 ASN 99 1HB ASN 99 1.888 0.582 -15.337 746 HB3 ASN 99 2HB ASN 99 1.770 -0.133 -13.732 747 HD21 ASN 99 1HD2 ASN 99 0.681 -0.215 -16.933 748 HD22 ASN 99 2HD2 ASN 99 -0.533 -1.430 -16.745 749 H PHE 100 H PHE 100 -1.760 2.040 -13.059 750 HA PHE 100 HA PHE 100 -0.971 1.612 -10.282 751 HB2 PHE 100 1HB PHE 100 -2.314 3.619 -10.936 752 HB3 PHE 100 2HB PHE 100 -3.637 2.540 -11.367 753 HD1 PHE 100 2HD PHE 100 -1.318 2.937 -8.465 754 HD2 PHE 100 1HD PHE 100 -5.323 2.472 -9.829 755 HE1 PHE 100 2HE PHE 100 -2.113 2.989 -6.137 756 HE2 PHE 100 1HE PHE 100 -6.125 2.526 -7.503 757 HZ PHE 100 HZ PHE 100 -4.519 2.783 -5.654 758 H SER 101 H SER 101 -3.346 0.417 -12.632 759 HA SER 101 HA SER 101 -4.872 -1.311 -11.290 760 HB2 SER 101 1HB SER 101 -3.491 -1.616 -13.932 761 HB3 SER 101 2HB SER 101 -4.444 -2.956 -13.294 762 HG SER 101 HG SER 101 -6.250 -1.733 -13.389 763 H LYS 102 H LYS 102 -1.445 -1.757 -11.915 764 HA LYS 102 HA LYS 102 -1.325 -4.427 -10.906 765 HB2 LYS 102 1HB LYS 102 0.775 -2.345 -11.491 766 HB3 LYS 102 2HB LYS 102 1.177 -3.924 -10.830 767 HG2 LYS 102 1HG LYS 102 0.337 -5.030 -12.771 768 HG3 LYS 102 2HG LYS 102 -0.325 -3.521 -13.406 769 HD2 LYS 102 1HD LYS 102 1.635 -3.707 -14.607 770 HD3 LYS 102 2HD LYS 102 2.151 -2.704 -13.250 771 HE2 LYS 102 1HE LYS 102 2.710 -5.014 -12.152 772 HE3 LYS 102 2HE LYS 102 2.728 -5.577 -13.823 773 HZ1 LYS 102 1HZ LYS 102 4.311 -3.671 -14.247 774 HZ2 LYS 102 2HZ LYS 102 4.920 -4.963 -13.341 775 HZ3 LYS 102 3HZ LYS 102 4.458 -3.531 -12.568 776 H VAL 103 H VAL 103 -0.347 -1.268 -9.584 777 HA VAL 103 HA VAL 103 0.552 -2.139 -7.100 778 HB VAL 103 HB VAL 103 -0.819 0.470 -7.768 779 HG11 VAL 103 1HG1 VAL 103 0.299 -0.597 -5.282 780 HG12 VAL 103 2HG1 VAL 103 0.921 0.992 -5.732 781 HG13 VAL 103 3HG1 VAL 103 -0.815 0.745 -5.543 782 HG21 VAL 103 1HG2 VAL 103 1.660 -0.579 -8.595 783 HG22 VAL 103 2HG2 VAL 103 1.052 1.063 -8.809 784 HG23 VAL 103 3HG2 VAL 103 2.010 0.656 -7.385 785 H LEU 104 H LEU 104 -2.712 -1.451 -8.219 786 HA LEU 104 HA LEU 104 -3.955 -1.587 -5.669 787 HB2 LEU 104 1HB LEU 104 -4.927 -0.514 -7.697 788 HB3 LEU 104 2HB LEU 104 -5.187 -2.123 -8.367 789 HG LEU 104 HG LEU 104 -6.626 -2.562 -6.302 790 HD11 LEU 104 1HD1 LEU 104 -7.186 -0.907 -4.879 791 HD12 LEU 104 2HD1 LEU 104 -7.136 0.335 -6.130 792 HD13 LEU 104 3HD1 LEU 104 -5.639 -0.232 -5.391 793 HD21 LEU 104 1HD2 LEU 104 -7.352 -0.669 -8.515 794 HD22 LEU 104 2HD2 LEU 104 -8.539 -1.201 -7.324 795 HD23 LEU 104 3HD2 LEU 104 -7.733 -2.384 -8.354 796 H SER 105 H SER 105 -3.613 -3.938 -8.314 797 HA SER 105 HA SER 105 -4.987 -6.041 -7.046 798 HB2 SER 105 1HB SER 105 -3.801 -7.502 -8.689 799 HB3 SER 105 2HB SER 105 -4.580 -6.106 -9.432 800 HG SER 105 HG SER 105 -2.676 -5.742 -10.237 801 H THR 106 H THR 106 -1.519 -5.291 -7.227 802 HA THR 106 HA THR 106 -0.439 -7.438 -5.921 803 HB THR 106 HB THR 106 0.351 -4.531 -5.761 804 HG1 THR 106 1HG THR 106 2.098 -5.477 -7.115 805 HG21 THR 106 1HG2 THR 106 2.567 -6.145 -5.154 806 HG22 THR 106 2HG2 THR 106 1.254 -6.720 -4.127 807 HG23 THR 106 3HG2 THR 106 1.731 -5.023 -4.081 808 H LEU 107 H LEU 107 -1.887 -4.556 -4.443 809 HA LEU 107 HA LEU 107 -1.413 -5.448 -1.764 810 HB2 LEU 107 1HB LEU 107 -3.088 -3.255 -2.952 811 HB3 LEU 107 2HB LEU 107 -3.063 -3.587 -1.221 812 HG LEU 107 HG LEU 107 -0.676 -2.780 -2.883 813 HD11 LEU 107 1HD1 LEU 107 -2.770 -1.201 -1.953 814 HD12 LEU 107 2HD1 LEU 107 -1.184 -0.654 -2.497 815 HD13 LEU 107 3HD1 LEU 107 -1.470 -0.967 -0.785 816 HD21 LEU 107 1HD2 LEU 107 -0.121 -2.332 -0.224 817 HD22 LEU 107 2HD2 LEU 107 0.475 -3.678 -1.195 818 HD23 LEU 107 3HD2 LEU 107 -0.971 -3.877 -0.204 819 H LEU 108 H LEU 108 -4.213 -5.398 -3.933 820 HA LEU 108 HA LEU 108 -6.189 -6.258 -2.210 821 HB2 LEU 108 1HB LEU 108 -5.707 -6.633 -5.132 822 HB3 LEU 108 2HB LEU 108 -7.050 -7.476 -4.361 823 HG LEU 108 HG LEU 108 -6.709 -4.489 -4.213 824 HD11 LEU 108 1HD1 LEU 108 -6.898 -5.468 -6.582 825 HD12 LEU 108 2HD1 LEU 108 -8.023 -4.194 -6.110 826 HD13 LEU 108 3HD1 LEU 108 -8.552 -5.876 -6.125 827 HD21 LEU 108 1HD2 LEU 108 -8.180 -5.761 -2.579 828 HD22 LEU 108 2HD2 LEU 108 -9.209 -6.140 -3.961 829 HD23 LEU 108 3HD2 LEU 108 -8.949 -4.460 -3.489 830 H ALA 109 H ALA 109 -3.906 -8.234 -4.080 831 HA ALA 109 HA ALA 109 -4.875 -10.746 -3.307 832 HB1 ALA 109 1HB ALA 109 -3.020 -11.634 -4.327 833 HB2 ALA 109 2HB ALA 109 -3.092 -10.046 -5.092 834 HB3 ALA 109 3HB ALA 109 -1.959 -10.339 -3.772 835 H VAL 110 H VAL 110 -2.495 -8.610 -1.800 836 HA VAL 110 HA VAL 110 -1.580 -10.370 0.181 837 HB VAL 110 HB VAL 110 -1.778 -7.358 0.200 838 HG11 VAL 110 1HG1 VAL 110 0.153 -7.828 1.972 839 HG12 VAL 110 2HG1 VAL 110 -1.542 -7.673 2.439 840 HG13 VAL 110 3HG1 VAL 110 -0.821 -9.272 2.249 841 HG21 VAL 110 1HG2 VAL 110 0.105 -9.301 -0.900 842 HG22 VAL 110 2HG2 VAL 110 -0.130 -7.600 -1.299 843 HG23 VAL 110 3HG2 VAL 110 0.868 -8.051 0.083 844 H ASN 111 H ASN 111 -3.996 -7.759 0.491 845 HA ASN 111 HA ASN 111 -4.819 -8.131 3.056 846 HB2 ASN 111 1HB ASN 111 -5.923 -6.370 2.089 847 HB3 ASN 111 2HB ASN 111 -6.203 -7.234 0.580 848 HD21 ASN 111 1HD2 ASN 111 -7.241 -6.944 3.924 849 HD22 ASN 111 2HD2 ASN 111 -8.849 -7.520 3.668 850 H LYS 112 H LYS 112 -5.810 -10.015 0.235 851 HA LYS 112 HA LYS 112 -7.799 -11.565 1.428 852 HB2 LYS 112 1HB LYS 112 -6.009 -11.880 -0.929 853 HB3 LYS 112 2HB LYS 112 -6.853 -13.312 -0.354 854 HG2 LYS 112 1HG LYS 112 -8.229 -10.725 -1.036 855 HG3 LYS 112 2HG LYS 112 -8.016 -12.060 -2.171 856 HD2 LYS 112 1HD LYS 112 -9.237 -12.619 0.490 857 HD3 LYS 112 2HD LYS 112 -10.217 -11.822 -0.743 858 HE2 LYS 112 1HE LYS 112 -10.680 -14.006 -1.227 859 HE3 LYS 112 2HE LYS 112 -9.268 -13.765 -2.255 860 HZ1 LYS 112 1HZ LYS 112 -8.295 -15.426 -1.192 861 HZ2 LYS 112 2HZ LYS 112 -9.609 -15.588 -0.139 862 HZ3 LYS 112 3HZ LYS 112 -8.340 -14.538 0.248 863 H ALA 113 H ALA 113 -4.437 -12.585 0.792 864 HA ALA 113 HA ALA 113 -4.502 -14.916 2.305 865 HB1 ALA 113 1HB ALA 113 -2.493 -15.092 1.385 866 HB2 ALA 113 2HB ALA 113 -2.538 -13.392 0.916 867 HB3 ALA 113 3HB ALA 113 -1.888 -13.857 2.488 868 H THR 114 H THR 114 -3.455 -11.657 3.266 869 HA THR 114 HA THR 114 -3.088 -12.502 6.016 870 HB THR 114 HB THR 114 -2.416 -10.178 6.443 871 HG1 THR 114 1HG THR 114 -2.218 -8.895 4.362 872 HG21 THR 114 1HG2 THR 114 -0.389 -10.179 5.162 873 HG22 THR 114 2HG2 THR 114 -1.118 -11.191 3.914 874 HG23 THR 114 3HG2 THR 114 -0.803 -11.856 5.517 875 H GLU 115 H GLU 115 -5.751 -12.734 4.954 876 HA GLU 115 HA GLU 115 -7.332 -10.556 5.941 877 HB2 GLU 115 1HB GLU 115 -9.248 -11.939 5.386 878 HB3 GLU 115 2HB GLU 115 -8.080 -11.986 4.073 879 HG2 GLU 115 1HG GLU 115 -8.787 -14.188 4.297 880 HG3 GLU 115 2HG GLU 115 -7.234 -14.145 5.129 881 H SER 116 H SER 116 -8.519 -10.425 7.811 882 HA SER 116 HA SER 116 -7.514 -11.860 10.064 883 HB2 SER 116 1HB SER 116 -8.169 -9.576 10.393 884 HB3 SER 116 2HB SER 116 -9.784 -9.886 9.757 885 HG SER 116 HG SER 116 -8.841 -10.204 12.273 886 H GLY 117 H GLY 117 -8.115 -13.820 10.687 887 HA2 GLY 117 1HA GLY 117 -10.900 -14.565 10.774 888 HA3 GLY 117 2HA GLY 117 -9.972 -15.462 9.582 889 HA PRO 118 HA PRO 118 -8.799 -18.325 12.687 890 HB2 PRO 118 1HB PRO 118 -6.395 -19.152 11.735 891 HB3 PRO 118 2HB PRO 118 -7.932 -19.614 10.994 892 HG2 PRO 118 1HG PRO 118 -6.002 -17.476 10.177 893 HG3 PRO 118 2HG PRO 118 -6.877 -18.640 9.165 894 HD2 PRO 118 1HD PRO 118 -7.678 -16.070 9.453 895 HD3 PRO 118 2HD PRO 118 -8.822 -17.405 9.205 896 H SER 119 H SER 119 -6.729 -18.964 14.001 897 HA SER 119 HA SER 119 -6.070 -16.821 15.661 898 HB2 SER 119 1HB SER 119 -4.740 -19.509 15.284 899 HB3 SER 119 2HB SER 119 -4.281 -18.373 16.552 900 HG SER 119 HG SER 119 -6.978 -19.084 16.268 901 H SER 120 H SER 120 -4.245 -15.551 15.897 902 HA SER 120 HA SER 120 -2.433 -15.508 13.572 903 HB2 SER 120 1HB SER 120 -3.659 -13.286 15.180 904 HB3 SER 120 2HB SER 120 -2.144 -13.027 14.315 905 HG SER 120 HG SER 120 -3.559 -14.103 12.522 906 H GLY 121 H GLY 121 -0.324 -14.269 14.156 907 HA2 GLY 121 1HA GLY 121 1.082 -15.812 16.034 908 HA3 GLY 121 2HA GLY 121 1.666 -14.327 15.297 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -22.647 1.175 -0.182 2 HA2 GLY 1 1HA GLY 1 -21.105 1.996 -1.779 3 HA3 GLY 1 2HA GLY 1 -20.734 0.280 -1.702 4 H SER 2 H SER 2 -21.685 2.837 -3.685 5 HA SER 2 HA SER 2 -23.167 1.496 -5.667 6 HB2 SER 2 1HB SER 2 -22.465 3.394 -7.143 7 HB3 SER 2 2HB SER 2 -23.144 3.912 -5.600 8 HG SER 2 HG SER 2 -21.355 5.034 -5.527 9 H SER 3 H SER 3 -19.690 2.145 -5.376 10 HA SER 3 HA SER 3 -18.780 1.172 -7.775 11 HB2 SER 3 1HB SER 3 -17.596 1.157 -5.015 12 HB3 SER 3 2HB SER 3 -16.734 0.394 -6.351 13 HG SER 3 HG SER 3 -16.988 3.016 -5.756 14 H GLY 4 H GLY 4 -18.412 -0.791 -8.684 15 HA2 GLY 4 1HA GLY 4 -19.592 -3.093 -7.299 16 HA3 GLY 4 2HA GLY 4 -19.295 -2.972 -9.027 17 H SER 5 H SER 5 -18.007 -3.871 -5.959 18 HA SER 5 HA SER 5 -15.994 -4.757 -5.306 19 HB2 SER 5 1HB SER 5 -16.624 -6.169 -7.896 20 HB3 SER 5 2HB SER 5 -15.252 -6.632 -6.889 21 HG SER 5 HG SER 5 -16.621 -7.228 -5.283 22 H SER 6 H SER 6 -15.593 -2.264 -6.432 23 HA SER 6 HA SER 6 -13.655 -2.240 -8.495 24 HB2 SER 6 1HB SER 6 -14.562 -0.240 -6.445 25 HB3 SER 6 2HB SER 6 -13.162 0.103 -7.461 26 HG SER 6 HG SER 6 -15.807 -0.465 -8.314 27 H GLY 7 H GLY 7 -13.397 -2.115 -4.956 28 HA2 GLY 7 1HA GLY 7 -11.625 -3.220 -3.793 29 HA3 GLY 7 2HA GLY 7 -10.615 -3.027 -5.218 30 H GLU 8 H GLU 8 -10.967 -0.326 -5.741 31 HA GLU 8 HA GLU 8 -9.019 0.935 -4.381 32 HB2 GLU 8 1HB GLU 8 -11.587 2.129 -5.424 33 HB3 GLU 8 2HB GLU 8 -10.237 3.100 -4.855 34 HG2 GLU 8 1HG GLU 8 -8.911 2.561 -6.642 35 HG3 GLU 8 2HG GLU 8 -9.745 1.037 -6.940 36 H GLU 9 H GLU 9 -12.450 1.020 -3.432 37 HA GLU 9 HA GLU 9 -12.059 2.523 -1.079 38 HB2 GLU 9 1HB GLU 9 -14.261 0.600 -1.841 39 HB3 GLU 9 2HB GLU 9 -14.310 1.647 -0.430 40 HG2 GLU 9 1HG GLU 9 -15.558 2.763 -2.054 41 HG3 GLU 9 2HG GLU 9 -13.997 3.582 -2.042 42 H GLN 10 H GLN 10 -12.304 -0.974 -1.631 43 HA GLN 10 HA GLN 10 -12.243 -1.901 0.954 44 HB2 GLN 10 1HB GLN 10 -11.183 -2.980 -1.625 45 HB3 GLN 10 2HB GLN 10 -10.808 -3.824 -0.129 46 HG2 GLN 10 1HG GLN 10 -13.411 -3.613 0.233 47 HG3 GLN 10 2HG GLN 10 -13.405 -3.493 -1.525 48 HE21 GLN 10 1HE2 GLN 10 -12.697 -5.516 1.217 49 HE22 GLN 10 2HE2 GLN 10 -12.589 -7.004 0.346 50 H ILE 11 H ILE 11 -9.478 -0.994 -1.077 51 HA ILE 11 HA ILE 11 -7.496 -1.639 0.839 52 HB ILE 11 HB ILE 11 -7.337 0.326 -1.450 53 HG12 ILE 11 1HG1 ILE 11 -7.952 -1.979 -2.131 54 HG13 ILE 11 2HG1 ILE 11 -6.365 -1.502 -2.724 55 HG21 ILE 11 1HG2 ILE 11 -4.889 -0.127 -1.290 56 HG22 ILE 11 2HG2 ILE 11 -5.557 0.743 0.090 57 HG23 ILE 11 3HG2 ILE 11 -5.199 -0.978 0.223 58 HD11 ILE 11 1HD1 ILE 11 -6.115 -2.783 -0.174 59 HD12 ILE 11 2HD1 ILE 11 -7.032 -3.798 -1.287 60 HD13 ILE 11 3HD1 ILE 11 -5.422 -3.234 -1.732 61 H VAL 12 H VAL 12 -8.983 1.458 -0.092 62 HA VAL 12 HA VAL 12 -7.609 3.187 1.535 63 HB VAL 12 HB VAL 12 -10.564 3.245 0.912 64 HG11 VAL 12 1HG1 VAL 12 -8.925 4.957 2.565 65 HG12 VAL 12 2HG1 VAL 12 -9.632 5.847 1.215 66 HG13 VAL 12 3HG1 VAL 12 -10.673 4.958 2.329 67 HG21 VAL 12 1HG2 VAL 12 -8.415 3.435 -0.806 68 HG22 VAL 12 2HG2 VAL 12 -10.050 4.018 -1.119 69 HG23 VAL 12 3HG2 VAL 12 -8.829 5.118 -0.478 70 H THR 13 H THR 13 -10.664 1.561 2.405 71 HA THR 13 HA THR 13 -10.629 2.386 5.104 72 HB THR 13 HB THR 13 -12.022 -0.017 3.905 73 HG1 THR 13 1HG THR 13 -12.676 2.727 4.079 74 HG21 THR 13 1HG2 THR 13 -12.020 1.215 6.588 75 HG22 THR 13 2HG2 THR 13 -12.378 -0.442 6.101 76 HG23 THR 13 3HG2 THR 13 -13.604 0.813 5.926 77 H TRP 14 H TRP 14 -9.553 -0.593 3.515 78 HA TRP 14 HA TRP 14 -8.941 -2.138 5.714 79 HB2 TRP 14 1HB TRP 14 -8.791 -2.994 3.437 80 HB3 TRP 14 2HB TRP 14 -7.427 -1.931 3.103 81 HD1 TRP 14 HD TRP 14 -7.813 -4.129 6.256 82 HE1 TRP 14 1HE TRP 14 -5.838 -5.778 6.328 83 HE3 TRP 14 3HE TRP 14 -5.654 -3.007 1.760 84 HZ2 TRP 14 2HZ TRP 14 -3.654 -6.506 4.695 85 HZ3 TRP 14 3HZ TRP 14 -3.624 -4.225 1.089 86 HH2 TRP 14 HH TRP 14 -2.646 -5.938 2.528 87 H LEU 15 H LEU 15 -6.619 -0.067 3.960 88 HA LEU 15 HA LEU 15 -4.454 -0.299 5.611 89 HB2 LEU 15 1HB LEU 15 -5.431 2.199 4.235 90 HB3 LEU 15 2HB LEU 15 -3.808 1.970 4.884 91 HG LEU 15 HG LEU 15 -4.990 0.292 2.675 92 HD11 LEU 15 1HD1 LEU 15 -3.628 1.606 1.148 93 HD12 LEU 15 2HD1 LEU 15 -3.114 2.644 2.477 94 HD13 LEU 15 3HD1 LEU 15 -4.804 2.629 1.973 95 HD21 LEU 15 1HD2 LEU 15 -2.364 0.069 2.374 96 HD22 LEU 15 2HD2 LEU 15 -3.277 -0.991 3.448 97 HD23 LEU 15 3HD2 LEU 15 -2.394 0.385 4.109 98 H ILE 16 H ILE 16 -6.803 2.379 5.851 99 HA ILE 16 HA ILE 16 -5.942 3.510 8.192 100 HB ILE 16 HB ILE 16 -8.815 3.179 7.322 101 HG12 ILE 16 1HG1 ILE 16 -7.013 5.565 6.921 102 HG13 ILE 16 2HG1 ILE 16 -7.167 4.286 5.721 103 HG21 ILE 16 1HG2 ILE 16 -9.477 4.505 9.004 104 HG22 ILE 16 2HG2 ILE 16 -7.958 4.030 9.763 105 HG23 ILE 16 3HG2 ILE 16 -8.060 5.546 8.869 106 HD11 ILE 16 1HD1 ILE 16 -9.260 6.212 6.667 107 HD12 ILE 16 2HD1 ILE 16 -8.626 5.986 5.037 108 HD13 ILE 16 3HD1 ILE 16 -9.656 4.751 5.762 109 H SER 17 H SER 17 -8.489 1.023 7.942 110 HA SER 17 HA SER 17 -9.037 0.616 10.585 111 HB2 SER 17 1HB SER 17 -8.832 -1.452 8.386 112 HB3 SER 17 2HB SER 17 -9.561 -1.758 9.963 113 HG SER 17 HG SER 17 -10.861 0.238 9.350 114 H LEU 18 H LEU 18 -6.380 -0.826 8.731 115 HA LEU 18 HA LEU 18 -5.355 -2.445 10.783 116 HB2 LEU 18 1HB LEU 18 -4.291 -1.311 8.248 117 HB3 LEU 18 2HB LEU 18 -3.146 -1.998 9.398 118 HG LEU 18 HG LEU 18 -5.499 -3.509 8.272 119 HD11 LEU 18 1HD1 LEU 18 -2.628 -3.452 7.358 120 HD12 LEU 18 2HD1 LEU 18 -4.044 -2.937 6.442 121 HD13 LEU 18 3HD1 LEU 18 -3.827 -4.640 6.846 122 HD21 LEU 18 1HD2 LEU 18 -4.568 -4.276 10.442 123 HD22 LEU 18 2HD2 LEU 18 -3.003 -4.483 9.656 124 HD23 LEU 18 3HD2 LEU 18 -4.384 -5.452 9.141 125 H GLY 19 H GLY 19 -4.593 0.887 9.831 126 HA2 GLY 19 1HA GLY 19 -4.172 2.430 11.721 127 HA3 GLY 19 2HA GLY 19 -3.148 1.171 12.394 128 H VAL 20 H VAL 20 -3.278 2.139 9.008 129 HA VAL 20 HA VAL 20 -0.528 3.169 9.276 130 HB VAL 20 HB VAL 20 -0.077 2.370 6.998 131 HG11 VAL 20 1HG1 VAL 20 0.628 0.397 7.785 132 HG12 VAL 20 2HG1 VAL 20 -0.127 0.889 9.303 133 HG13 VAL 20 3HG1 VAL 20 -1.008 -0.137 8.170 134 HG21 VAL 20 1HG2 VAL 20 -2.110 2.313 5.883 135 HG22 VAL 20 2HG2 VAL 20 -1.766 0.603 6.143 136 HG23 VAL 20 3HG2 VAL 20 -2.916 1.439 7.186 137 H LEU 21 H LEU 21 -3.562 3.375 7.464 138 HA LEU 21 HA LEU 21 -2.733 5.944 6.338 139 HB2 LEU 21 1HB LEU 21 -3.700 4.289 4.822 140 HB3 LEU 21 2HB LEU 21 -5.169 4.253 5.795 141 HG LEU 21 HG LEU 21 -5.556 6.635 5.201 142 HD11 LEU 21 1HD1 LEU 21 -3.118 6.170 3.505 143 HD12 LEU 21 2HD1 LEU 21 -3.391 7.434 4.704 144 HD13 LEU 21 3HD1 LEU 21 -4.281 7.456 3.182 145 HD21 LEU 21 1HD2 LEU 21 -5.338 5.374 2.564 146 HD22 LEU 21 2HD2 LEU 21 -6.752 6.000 3.413 147 HD23 LEU 21 3HD2 LEU 21 -6.141 4.388 3.786 148 H GLU 22 H GLU 22 -3.718 7.860 6.808 149 HA GLU 22 HA GLU 22 -4.922 8.189 9.316 150 HB2 GLU 22 1HB GLU 22 -4.655 9.961 6.906 151 HB3 GLU 22 2HB GLU 22 -5.579 10.489 8.306 152 HG2 GLU 22 1HG GLU 22 -3.465 11.387 8.648 153 HG3 GLU 22 2HG GLU 22 -3.488 9.949 9.667 154 H SER 23 H SER 23 -7.048 8.776 9.903 155 HA SER 23 HA SER 23 -9.091 7.727 8.065 156 HB2 SER 23 1HB SER 23 -8.707 6.704 10.410 157 HB3 SER 23 2HB SER 23 -9.504 8.156 11.017 158 HG SER 23 HG SER 23 -10.554 6.162 9.305 159 HA PRO 24 HA PRO 24 -9.906 12.251 8.069 160 HB2 PRO 24 1HB PRO 24 -10.778 12.306 5.499 161 HB3 PRO 24 2HB PRO 24 -9.068 12.403 5.935 162 HG2 PRO 24 1HG PRO 24 -10.653 10.041 5.004 163 HG3 PRO 24 2HG PRO 24 -9.023 10.552 4.529 164 HD2 PRO 24 1HD PRO 24 -9.465 8.570 6.321 165 HD3 PRO 24 2HD PRO 24 -8.054 9.643 6.413 166 H LYS 25 H LYS 25 -11.828 13.220 8.470 167 HA LYS 25 HA LYS 25 -14.171 11.541 8.667 168 HB2 LYS 25 1HB LYS 25 -13.318 13.454 10.275 169 HB3 LYS 25 2HB LYS 25 -14.244 14.483 9.189 170 HG2 LYS 25 1HG LYS 25 -16.262 13.293 9.677 171 HG3 LYS 25 2HG LYS 25 -15.376 12.080 10.606 172 HD2 LYS 25 1HD LYS 25 -16.164 13.416 12.298 173 HD3 LYS 25 2HD LYS 25 -14.600 14.175 11.991 174 HE2 LYS 25 1HE LYS 25 -16.024 15.590 10.275 175 HE3 LYS 25 2HE LYS 25 -17.345 15.131 11.348 176 HZ1 LYS 25 1HZ LYS 25 -14.938 16.147 12.626 177 HZ2 LYS 25 2HZ LYS 25 -16.563 16.415 13.009 178 HZ3 LYS 25 3HZ LYS 25 -15.841 17.272 11.742 179 H LYS 26 H LYS 26 -13.582 11.645 6.055 180 HA LYS 26 HA LYS 26 -15.874 13.063 4.969 181 HB2 LYS 26 1HB LYS 26 -13.054 13.519 3.986 182 HB3 LYS 26 2HB LYS 26 -14.489 13.965 3.073 183 HG2 LYS 26 1HG LYS 26 -15.103 15.253 5.274 184 HG3 LYS 26 2HG LYS 26 -13.361 15.172 5.545 185 HD2 LYS 26 1HD LYS 26 -13.072 16.129 3.232 186 HD3 LYS 26 2HD LYS 26 -14.814 16.414 3.216 187 HE2 LYS 26 1HE LYS 26 -14.636 17.863 5.136 188 HE3 LYS 26 2HE LYS 26 -12.920 17.493 5.300 189 HZ1 LYS 26 1HZ LYS 26 -13.630 19.658 4.132 190 HZ2 LYS 26 2HZ LYS 26 -13.948 18.665 2.801 191 HZ3 LYS 26 3HZ LYS 26 -12.387 18.735 3.448 192 H THR 27 H THR 27 -15.912 12.565 2.454 193 HA THR 27 HA THR 27 -15.294 9.698 2.151 194 HB THR 27 HB THR 27 -17.489 10.945 0.561 195 HG1 THR 27 1HG THR 27 -17.487 10.572 3.331 196 HG21 THR 27 1HG2 THR 27 -17.162 8.236 1.858 197 HG22 THR 27 2HG2 THR 27 -16.788 8.616 0.176 198 HG23 THR 27 3HG2 THR 27 -18.451 8.715 0.755 199 H ILE 28 H ILE 28 -13.617 9.492 0.815 200 HA ILE 28 HA ILE 28 -12.988 11.437 -1.193 201 HB ILE 28 HB ILE 28 -11.806 8.694 -0.744 202 HG12 ILE 28 1HG1 ILE 28 -10.421 11.235 -0.012 203 HG13 ILE 28 2HG1 ILE 28 -11.695 10.648 1.052 204 HG21 ILE 28 1HG2 ILE 28 -10.980 9.099 -2.802 205 HG22 ILE 28 2HG2 ILE 28 -11.271 10.835 -2.694 206 HG23 ILE 28 3HG2 ILE 28 -9.853 10.129 -1.919 207 HD11 ILE 28 1HD1 ILE 28 -8.987 9.821 0.884 208 HD12 ILE 28 2HD1 ILE 28 -10.245 9.280 1.996 209 HD13 ILE 28 3HD1 ILE 28 -10.018 8.457 0.453 210 H CYS 29 H CYS 29 -14.220 11.587 -2.956 211 HA CYS 29 HA CYS 29 -15.726 9.443 -4.038 212 HB2 CYS 29 1HB CYS 29 -16.445 11.741 -4.347 213 HB3 CYS 29 2HB CYS 29 -14.968 12.119 -5.223 214 HG CYS 29 HG CYS 29 -16.373 9.612 -6.753 215 H ASP 30 H ASP 30 -12.673 10.972 -4.976 216 HA ASP 30 HA ASP 30 -12.270 8.839 -6.962 217 HB2 ASP 30 1HB ASP 30 -10.950 11.549 -6.706 218 HB3 ASP 30 2HB ASP 30 -10.523 10.338 -7.913 219 HA PRO 31 HA PRO 31 -9.467 7.673 -3.494 220 HB2 PRO 31 1HB PRO 31 -9.813 5.002 -3.831 221 HB3 PRO 31 2HB PRO 31 -10.910 5.999 -2.867 222 HG2 PRO 31 1HG PRO 31 -11.214 5.027 -5.682 223 HG3 PRO 31 2HG PRO 31 -12.419 5.085 -4.382 224 HD2 PRO 31 1HD PRO 31 -12.311 6.939 -6.353 225 HD3 PRO 31 2HD PRO 31 -12.842 7.328 -4.704 226 H GLU 32 H GLU 32 -9.628 7.013 -6.871 227 HA GLU 32 HA GLU 32 -7.378 5.401 -7.240 228 HB2 GLU 32 1HB GLU 32 -8.933 5.801 -9.046 229 HB3 GLU 32 2HB GLU 32 -8.566 7.521 -9.034 230 HG2 GLU 32 1HG GLU 32 -6.260 7.009 -9.720 231 HG3 GLU 32 2HG GLU 32 -6.685 5.300 -9.799 232 H GLU 33 H GLU 33 -7.646 8.949 -7.274 233 HA GLU 33 HA GLU 33 -4.820 9.321 -7.577 234 HB2 GLU 33 1HB GLU 33 -7.170 11.119 -7.137 235 HB3 GLU 33 2HB GLU 33 -5.550 11.747 -6.865 236 HG2 GLU 33 1HG GLU 33 -6.452 10.461 -9.429 237 HG3 GLU 33 2HG GLU 33 -6.461 12.198 -9.129 238 H PHE 34 H PHE 34 -7.125 9.664 -4.901 239 HA PHE 34 HA PHE 34 -5.436 10.645 -2.948 240 HB2 PHE 34 1HB PHE 34 -7.840 10.423 -2.604 241 HB3 PHE 34 2HB PHE 34 -7.704 8.668 -2.635 242 HD1 PHE 34 2HD PHE 34 -6.871 11.703 -0.718 243 HD2 PHE 34 1HD PHE 34 -7.056 7.450 -0.714 244 HE1 PHE 34 2HE PHE 34 -6.518 11.693 1.717 245 HE2 PHE 34 1HE PHE 34 -6.704 7.434 1.721 246 HZ PHE 34 HZ PHE 34 -6.433 9.557 2.940 247 H LEU 35 H LEU 35 -6.056 7.250 -3.796 248 HA LEU 35 HA LEU 35 -4.358 6.111 -1.869 249 HB2 LEU 35 1HB LEU 35 -5.508 5.183 -4.463 250 HB3 LEU 35 2HB LEU 35 -4.286 4.204 -3.656 251 HG LEU 35 HG LEU 35 -6.784 5.065 -2.232 252 HD11 LEU 35 1HD1 LEU 35 -7.691 2.813 -2.845 253 HD12 LEU 35 2HD1 LEU 35 -6.411 2.697 -4.053 254 HD13 LEU 35 3HD1 LEU 35 -7.623 3.973 -4.172 255 HD21 LEU 35 1HD2 LEU 35 -5.774 4.008 -0.562 256 HD22 LEU 35 2HD2 LEU 35 -4.461 3.486 -1.619 257 HD23 LEU 35 3HD2 LEU 35 -5.925 2.511 -1.482 258 H LYS 36 H LYS 36 -3.767 6.588 -5.357 259 HA LYS 36 HA LYS 36 -1.148 5.796 -5.494 260 HB2 LYS 36 1HB LYS 36 -2.450 8.108 -6.943 261 HB3 LYS 36 2HB LYS 36 -0.914 7.383 -7.397 262 HG2 LYS 36 1HG LYS 36 -1.894 5.467 -8.191 263 HG3 LYS 36 2HG LYS 36 -3.325 5.647 -7.173 264 HD2 LYS 36 1HD LYS 36 -4.210 6.231 -9.201 265 HD3 LYS 36 2HD LYS 36 -3.666 7.816 -8.643 266 HE2 LYS 36 1HE LYS 36 -1.533 7.427 -9.888 267 HE3 LYS 36 2HE LYS 36 -2.254 5.965 -10.558 268 HZ1 LYS 36 1HZ LYS 36 -3.506 7.137 -11.974 269 HZ2 LYS 36 2HZ LYS 36 -2.404 8.389 -11.693 270 HZ3 LYS 36 3HZ LYS 36 -3.867 8.344 -10.845 271 H SER 37 H SER 37 -2.393 8.945 -4.473 272 HA SER 37 HA SER 37 0.075 10.262 -4.231 273 HB2 SER 37 1HB SER 37 -2.628 10.675 -2.982 274 HB3 SER 37 2HB SER 37 -1.254 11.664 -2.489 275 HG SER 37 HG SER 37 -2.558 12.521 -4.254 276 H SER 38 H SER 38 -1.743 8.254 -1.972 277 HA SER 38 HA SER 38 0.029 8.711 0.228 278 HB2 SER 38 1HB SER 38 -2.226 8.098 0.749 279 HB3 SER 38 2HB SER 38 -2.133 6.657 -0.264 280 HG SER 38 HG SER 38 -1.445 5.653 1.435 281 H LEU 39 H LEU 39 -0.583 5.855 -1.821 282 HA LEU 39 HA LEU 39 1.480 4.266 -0.838 283 HB2 LEU 39 1HB LEU 39 0.480 4.295 -3.678 284 HB3 LEU 39 2HB LEU 39 1.249 2.953 -2.835 285 HG LEU 39 HG LEU 39 -1.423 4.102 -2.047 286 HD11 LEU 39 1HD1 LEU 39 -1.071 2.937 -4.412 287 HD12 LEU 39 2HD1 LEU 39 -2.517 2.682 -3.436 288 HD13 LEU 39 3HD1 LEU 39 -1.220 1.487 -3.420 289 HD21 LEU 39 1HD2 LEU 39 -0.410 1.357 -1.439 290 HD22 LEU 39 2HD2 LEU 39 -1.617 2.321 -0.588 291 HD23 LEU 39 3HD2 LEU 39 0.095 2.726 -0.448 292 H LYS 40 H LYS 40 1.489 6.650 -3.448 293 HA LYS 40 HA LYS 40 3.829 6.312 -4.713 294 HB2 LYS 40 1HB LYS 40 2.474 8.214 -5.230 295 HB3 LYS 40 2HB LYS 40 2.695 8.887 -3.621 296 HG2 LYS 40 1HG LYS 40 5.198 8.963 -4.244 297 HG3 LYS 40 2HG LYS 40 4.623 8.787 -5.903 298 HD2 LYS 40 1HD LYS 40 3.310 10.793 -5.719 299 HD3 LYS 40 2HD LYS 40 3.679 10.926 -3.998 300 HE2 LYS 40 1HE LYS 40 6.071 11.189 -4.576 301 HE3 LYS 40 2HE LYS 40 5.633 11.161 -6.284 302 HZ1 LYS 40 1HZ LYS 40 5.908 13.420 -5.427 303 HZ2 LYS 40 2HZ LYS 40 4.663 13.159 -4.312 304 HZ3 LYS 40 3HZ LYS 40 4.329 13.148 -5.971 305 H ASN 41 H ASN 41 3.644 8.215 -1.696 306 HA ASN 41 HA ASN 41 6.256 8.699 -1.204 307 HB2 ASN 41 1HB ASN 41 3.965 8.066 0.605 308 HB3 ASN 41 2HB ASN 41 5.577 8.179 1.306 309 HD21 ASN 41 1HD2 ASN 41 5.749 10.067 2.268 310 HD22 ASN 41 2HD2 ASN 41 5.274 11.591 1.608 311 H GLY 42 H GLY 42 4.571 5.665 -0.425 312 HA2 GLY 42 1HA GLY 42 5.612 3.535 -0.698 313 HA3 GLY 42 2HA GLY 42 7.176 4.308 -0.485 314 H VAL 43 H VAL 43 6.253 5.838 1.856 315 HA VAL 43 HA VAL 43 7.025 4.036 3.871 316 HB VAL 43 HB VAL 43 7.356 6.412 4.165 317 HG11 VAL 43 1HG1 VAL 43 5.801 7.975 3.812 318 HG12 VAL 43 2HG1 VAL 43 4.826 6.682 3.112 319 HG13 VAL 43 3HG1 VAL 43 4.611 7.134 4.804 320 HG21 VAL 43 1HG2 VAL 43 5.551 5.050 6.132 321 HG22 VAL 43 2HG2 VAL 43 7.288 5.340 6.234 322 HG23 VAL 43 3HG2 VAL 43 6.157 6.679 6.430 323 H VAL 44 H VAL 44 3.870 5.052 2.706 324 HA VAL 44 HA VAL 44 2.283 4.067 4.790 325 HB VAL 44 HB VAL 44 1.647 4.303 1.847 326 HG11 VAL 44 1HG1 VAL 44 0.201 2.955 3.852 327 HG12 VAL 44 2HG1 VAL 44 -0.651 4.469 3.542 328 HG13 VAL 44 3HG1 VAL 44 -0.325 3.351 2.217 329 HG21 VAL 44 1HG2 VAL 44 1.105 6.459 2.206 330 HG22 VAL 44 2HG2 VAL 44 0.448 6.136 3.811 331 HG23 VAL 44 3HG2 VAL 44 2.190 6.303 3.588 332 H LEU 45 H LEU 45 3.463 2.487 1.843 333 HA LEU 45 HA LEU 45 2.131 0.022 2.316 334 HB2 LEU 45 1HB LEU 45 4.445 0.809 0.568 335 HB3 LEU 45 2HB LEU 45 3.842 -0.845 0.644 336 HG LEU 45 HG LEU 45 1.939 1.357 -0.012 337 HD11 LEU 45 1HD1 LEU 45 2.613 1.616 -2.177 338 HD12 LEU 45 2HD1 LEU 45 3.424 0.052 -2.231 339 HD13 LEU 45 3HD1 LEU 45 4.182 1.408 -1.397 340 HD21 LEU 45 1HD2 LEU 45 1.954 -1.203 -1.455 341 HD22 LEU 45 2HD2 LEU 45 0.616 -0.313 -0.729 342 HD23 LEU 45 3HD2 LEU 45 1.655 -1.320 0.279 343 H CYS 46 H CYS 46 5.368 1.233 3.040 344 HA CYS 46 HA CYS 46 6.532 -1.143 3.919 345 HB2 CYS 46 1HB CYS 46 7.008 1.738 4.659 346 HB3 CYS 46 2HB CYS 46 7.959 0.434 5.360 347 HG CYS 46 HG CYS 46 8.381 1.969 2.511 348 H LYS 47 H LYS 47 4.652 1.271 5.707 349 HA LYS 47 HA LYS 47 4.905 0.037 8.239 350 HB2 LYS 47 1HB LYS 47 2.774 1.901 7.178 351 HB3 LYS 47 2HB LYS 47 2.963 1.457 8.869 352 HG2 LYS 47 1HG LYS 47 5.176 2.483 8.898 353 HG3 LYS 47 2HG LYS 47 4.998 2.920 7.197 354 HD2 LYS 47 1HD LYS 47 3.199 4.406 7.691 355 HD3 LYS 47 2HD LYS 47 3.098 3.825 9.354 356 HE2 LYS 47 1HE LYS 47 5.119 4.866 9.951 357 HE3 LYS 47 2HE LYS 47 5.587 5.108 8.268 358 HZ1 LYS 47 1HZ LYS 47 3.784 6.705 8.040 359 HZ2 LYS 47 2HZ LYS 47 4.844 7.169 9.273 360 HZ3 LYS 47 3HZ LYS 47 3.348 6.479 9.659 361 H LEU 48 H LEU 48 2.649 -0.369 5.584 362 HA LEU 48 HA LEU 48 0.722 -1.900 6.981 363 HB2 LEU 48 1HB LEU 48 0.050 -0.924 4.948 364 HB3 LEU 48 2HB LEU 48 1.419 -1.608 4.076 365 HG LEU 48 HG LEU 48 0.394 -3.863 4.376 366 HD11 LEU 48 1HD1 LEU 48 -1.086 -3.895 6.086 367 HD12 LEU 48 2HD1 LEU 48 -2.221 -3.508 4.793 368 HD13 LEU 48 3HD1 LEU 48 -1.593 -2.225 5.827 369 HD21 LEU 48 1HD2 LEU 48 -1.627 -2.152 3.011 370 HD22 LEU 48 2HD2 LEU 48 -0.883 -3.662 2.483 371 HD23 LEU 48 3HD2 LEU 48 0.032 -2.155 2.412 372 H ILE 49 H ILE 49 3.149 -2.977 4.593 373 HA ILE 49 HA ILE 49 2.860 -5.698 4.929 374 HB ILE 49 HB ILE 49 4.253 -4.683 3.172 375 HG12 ILE 49 1HG1 ILE 49 6.206 -6.309 3.395 376 HG13 ILE 49 2HG1 ILE 49 5.539 -6.742 4.965 377 HG21 ILE 49 1HG2 ILE 49 5.390 -2.951 4.314 378 HG22 ILE 49 2HG2 ILE 49 6.090 -4.078 5.475 379 HG23 ILE 49 3HG2 ILE 49 6.628 -4.094 3.796 380 HD11 ILE 49 1HD1 ILE 49 3.495 -7.495 3.919 381 HD12 ILE 49 2HD1 ILE 49 4.094 -6.991 2.339 382 HD13 ILE 49 3HD1 ILE 49 4.887 -8.308 3.204 383 H ASN 50 H ASN 50 4.432 -3.397 7.006 384 HA ASN 50 HA ASN 50 5.921 -5.310 8.524 385 HB2 ASN 50 1HB ASN 50 5.133 -2.452 9.127 386 HB3 ASN 50 2HB ASN 50 6.218 -3.414 10.127 387 HD21 ASN 50 1HD2 ASN 50 7.246 -1.168 9.292 388 HD22 ASN 50 2HD2 ASN 50 8.358 -1.396 7.990 389 H ARG 51 H ARG 51 2.811 -3.676 8.909 390 HA ARG 51 HA ARG 51 2.248 -4.675 11.496 391 HB2 ARG 51 1HB ARG 51 1.120 -2.717 10.396 392 HB3 ARG 51 2HB ARG 51 0.247 -3.860 9.384 393 HG2 ARG 51 1HG ARG 51 -1.293 -3.513 11.025 394 HG3 ARG 51 2HG ARG 51 -0.429 -4.894 11.704 395 HD2 ARG 51 1HD ARG 51 1.068 -3.007 12.766 396 HD3 ARG 51 2HD ARG 51 -0.376 -2.028 12.513 397 HE ARG 51 HE ARG 51 -1.441 -3.207 14.179 398 HH11 ARG 51 1HH1 ARG 51 1.548 -4.783 13.339 399 HH12 ARG 51 2HH1 ARG 51 1.505 -5.870 14.687 400 HH21 ARG 51 1HH2 ARG 51 -1.509 -4.634 15.957 401 HH22 ARG 51 2HH2 ARG 51 -0.235 -5.785 16.175 402 H LEU 52 H LEU 52 1.600 -5.879 8.251 403 HA LEU 52 HA LEU 52 -0.077 -8.029 9.080 404 HB2 LEU 52 1HB LEU 52 1.529 -7.851 6.541 405 HB3 LEU 52 2HB LEU 52 0.078 -8.810 6.827 406 HG LEU 52 HG LEU 52 0.183 -5.795 6.724 407 HD11 LEU 52 1HD1 LEU 52 -1.106 -7.603 4.710 408 HD12 LEU 52 2HD1 LEU 52 0.582 -7.116 4.565 409 HD13 LEU 52 3HD1 LEU 52 -0.691 -5.895 4.564 410 HD21 LEU 52 1HD2 LEU 52 -1.650 -6.198 8.038 411 HD22 LEU 52 2HD2 LEU 52 -1.956 -7.780 7.321 412 HD23 LEU 52 3HD2 LEU 52 -2.378 -6.314 6.435 413 H MET 53 H MET 53 3.293 -7.945 7.910 414 HA MET 53 HA MET 53 3.726 -10.521 9.272 415 HB2 MET 53 1HB MET 53 5.172 -9.323 6.904 416 HB3 MET 53 2HB MET 53 5.634 -10.820 7.701 417 HG2 MET 53 1HG MET 53 2.944 -10.368 6.440 418 HG3 MET 53 2HG MET 53 4.314 -11.087 5.598 419 HE1 MET 53 1HE MET 53 5.046 -14.261 7.564 420 HE2 MET 53 2HE MET 53 4.721 -13.987 5.852 421 HE3 MET 53 3HE MET 53 5.726 -12.850 6.753 422 HA PRO 54 HA PRO 54 6.296 -8.177 12.042 423 HB2 PRO 54 1HB PRO 54 7.207 -10.302 13.464 424 HB3 PRO 54 2HB PRO 54 5.586 -9.629 13.675 425 HG2 PRO 54 1HG PRO 54 6.453 -12.026 12.104 426 HG3 PRO 54 2HG PRO 54 5.047 -11.834 13.167 427 HD2 PRO 54 1HD PRO 54 4.865 -11.681 10.470 428 HD3 PRO 54 2HD PRO 54 3.817 -10.743 11.552 429 H GLY 55 H GLY 55 7.967 -7.396 10.792 430 HA2 GLY 55 1HA GLY 55 10.362 -7.397 10.649 431 HA3 GLY 55 2HA GLY 55 10.321 -9.153 10.614 432 H SER 56 H SER 56 8.751 -6.575 8.715 433 HA SER 56 HA SER 56 9.430 -8.060 6.282 434 HB2 SER 56 1HB SER 56 7.479 -5.800 6.772 435 HB3 SER 56 2HB SER 56 7.797 -6.503 5.186 436 HG SER 56 HG SER 56 7.092 -8.185 7.317 437 H VAL 57 H VAL 57 9.347 -4.657 7.355 438 HA VAL 57 HA VAL 57 11.554 -4.097 5.493 439 HB VAL 57 HB VAL 57 9.623 -2.180 6.806 440 HG11 VAL 57 1HG1 VAL 57 10.668 -0.612 5.046 441 HG12 VAL 57 2HG1 VAL 57 11.568 -0.935 6.529 442 HG13 VAL 57 3HG1 VAL 57 12.002 -1.765 5.034 443 HG21 VAL 57 1HG2 VAL 57 9.368 -3.806 4.501 444 HG22 VAL 57 2HG2 VAL 57 8.259 -2.571 5.097 445 HG23 VAL 57 3HG2 VAL 57 9.537 -2.135 3.963 446 H GLU 58 H GLU 58 13.517 -3.787 6.299 447 HA GLU 58 HA GLU 58 14.109 -3.909 9.035 448 HB2 GLU 58 1HB GLU 58 15.646 -3.235 6.571 449 HB3 GLU 58 2HB GLU 58 16.361 -2.833 8.125 450 HG2 GLU 58 1HG GLU 58 17.220 -4.918 7.778 451 HG3 GLU 58 2HG GLU 58 15.775 -5.307 8.710 452 H LYS 59 H LYS 59 14.576 -1.106 6.874 453 HA LYS 59 HA LYS 59 13.514 0.681 8.889 454 HB2 LYS 59 1HB LYS 59 15.526 2.089 8.979 455 HB3 LYS 59 2HB LYS 59 15.835 0.476 9.609 456 HG2 LYS 59 1HG LYS 59 16.799 -0.117 7.379 457 HG3 LYS 59 2HG LYS 59 16.654 1.585 6.935 458 HD2 LYS 59 1HD LYS 59 18.286 2.250 8.428 459 HD3 LYS 59 2HD LYS 59 18.060 0.838 9.463 460 HE2 LYS 59 1HE LYS 59 20.119 0.482 8.395 461 HE3 LYS 59 2HE LYS 59 18.973 -0.529 7.517 462 HZ1 LYS 59 1HZ LYS 59 18.834 1.143 5.801 463 HZ2 LYS 59 2HZ LYS 59 20.450 0.697 6.030 464 HZ3 LYS 59 3HZ LYS 59 19.880 2.163 6.653 465 H PHE 60 H PHE 60 12.196 1.955 7.783 466 HA PHE 60 HA PHE 60 12.976 2.767 5.061 467 HB2 PHE 60 1HB PHE 60 10.524 3.112 4.678 468 HB3 PHE 60 2HB PHE 60 10.971 1.438 4.988 469 HD1 PHE 60 2HD PHE 60 10.756 0.642 7.452 470 HD2 PHE 60 1HD PHE 60 8.795 4.070 5.863 471 HE1 PHE 60 2HE PHE 60 9.106 0.540 9.275 472 HE2 PHE 60 1HE PHE 60 7.144 3.974 7.684 473 HZ PHE 60 HZ PHE 60 7.297 2.206 9.392 474 H CYS 61 H CYS 61 11.502 4.856 4.503 475 HA CYS 61 HA CYS 61 12.288 6.841 6.517 476 HB2 CYS 61 1HB CYS 61 12.999 6.839 3.962 477 HB3 CYS 61 2HB CYS 61 11.436 7.623 3.765 478 HG CYS 61 HG CYS 61 12.208 9.974 4.438 479 H LEU 62 H LEU 62 10.691 7.404 7.838 480 HA LEU 62 HA LEU 62 7.966 6.991 7.395 481 HB2 LEU 62 1HB LEU 62 9.484 8.776 9.265 482 HB3 LEU 62 2HB LEU 62 7.722 8.767 9.239 483 HG LEU 62 HG LEU 62 9.550 6.482 9.963 484 HD11 LEU 62 1HD1 LEU 62 7.632 6.947 11.933 485 HD12 LEU 62 2HD1 LEU 62 8.203 8.545 11.453 486 HD13 LEU 62 3HD1 LEU 62 9.352 7.327 12.005 487 HD21 LEU 62 1HD2 LEU 62 6.717 6.534 9.135 488 HD22 LEU 62 2HD2 LEU 62 7.097 5.580 10.569 489 HD23 LEU 62 3HD2 LEU 62 7.907 5.236 9.040 490 H ASP 63 H ASP 63 9.950 9.886 6.924 491 HA ASP 63 HA ASP 63 7.810 10.976 5.229 492 HB2 ASP 63 1HB ASP 63 7.719 12.153 7.373 493 HB3 ASP 63 2HB ASP 63 9.433 12.539 7.249 494 HA PRO 64 HA PRO 64 11.633 10.868 2.747 495 HB2 PRO 64 1HB PRO 64 10.329 10.642 0.377 496 HB3 PRO 64 2HB PRO 64 10.667 9.258 1.423 497 HG2 PRO 64 1HG PRO 64 8.139 10.833 1.125 498 HG3 PRO 64 2HG PRO 64 8.355 9.077 1.248 499 HD2 PRO 64 1HD PRO 64 7.588 10.601 3.351 500 HD3 PRO 64 2HD PRO 64 8.576 9.138 3.541 501 H GLN 65 H GLN 65 12.269 12.995 3.033 502 HA GLN 65 HA GLN 65 10.796 15.246 2.183 503 HB2 GLN 65 1HB GLN 65 12.847 15.036 3.803 504 HB3 GLN 65 2HB GLN 65 13.786 15.286 2.337 505 HG2 GLN 65 1HG GLN 65 13.328 17.347 3.662 506 HG3 GLN 65 2HG GLN 65 12.817 17.418 1.976 507 HE21 GLN 65 1HE2 GLN 65 11.452 16.273 5.050 508 HE22 GLN 65 2HE2 GLN 65 9.923 17.054 4.857 509 H THR 66 H THR 66 13.194 13.225 0.599 510 HA THR 66 HA THR 66 12.708 14.719 -1.896 511 HB THR 66 HB THR 66 14.977 14.146 -2.632 512 HG1 THR 66 1HG THR 66 16.403 13.145 -1.205 513 HG21 THR 66 1HG2 THR 66 15.144 16.243 -1.772 514 HG22 THR 66 2HG2 THR 66 16.154 15.420 -0.583 515 HG23 THR 66 3HG2 THR 66 14.466 15.774 -0.213 516 H GLU 67 H GLU 67 13.361 13.315 -3.859 517 HA GLU 67 HA GLU 67 11.633 11.142 -4.022 518 HB2 GLU 67 1HB GLU 67 12.302 12.218 -6.036 519 HB3 GLU 67 2HB GLU 67 14.005 11.933 -5.706 520 HG2 GLU 67 1HG GLU 67 13.395 9.439 -5.843 521 HG3 GLU 67 2HG GLU 67 11.919 9.998 -6.628 522 H ALA 68 H ALA 68 15.200 11.045 -3.926 523 HA ALA 68 HA ALA 68 15.728 8.412 -3.879 524 HB1 ALA 68 1HB ALA 68 16.934 10.564 -2.159 525 HB2 ALA 68 2HB ALA 68 17.578 8.922 -2.234 526 HB3 ALA 68 3HB ALA 68 17.536 9.921 -3.687 527 H ASP 69 H ASP 69 14.407 10.256 -1.175 528 HA ASP 69 HA ASP 69 14.505 8.130 0.707 529 HB2 ASP 69 1HB ASP 69 12.777 10.614 0.657 530 HB3 ASP 69 2HB ASP 69 12.964 9.539 2.040 531 H CYS 70 H CYS 70 12.020 9.322 -1.504 532 HA CYS 70 HA CYS 70 9.918 7.688 -0.597 533 HB2 CYS 70 1HB CYS 70 10.473 9.067 -3.214 534 HB3 CYS 70 2HB CYS 70 9.043 8.066 -2.994 535 HG CYS 70 HG CYS 70 7.768 10.251 -2.417 536 H ILE 71 H ILE 71 11.938 7.284 -3.512 537 HA ILE 71 HA ILE 71 11.082 4.828 -4.344 538 HB ILE 71 HB ILE 71 13.955 5.759 -4.337 539 HG12 ILE 71 1HG1 ILE 71 12.517 7.406 -5.391 540 HG13 ILE 71 2HG1 ILE 71 13.433 6.558 -6.631 541 HG21 ILE 71 1HG2 ILE 71 12.520 3.605 -5.864 542 HG22 ILE 71 2HG2 ILE 71 14.048 4.297 -6.407 543 HG23 ILE 71 3HG2 ILE 71 13.961 3.460 -4.857 544 HD11 ILE 71 1HD1 ILE 71 11.313 5.052 -6.761 545 HD12 ILE 71 2HD1 ILE 71 10.527 6.440 -6.008 546 HD13 ILE 71 3HD1 ILE 71 11.343 6.623 -7.560 547 H ASN 72 H ASN 72 13.569 5.473 -1.892 548 HA ASN 72 HA ASN 72 14.387 2.890 -1.361 549 HB2 ASN 72 1HB ASN 72 14.136 5.321 0.396 550 HB3 ASN 72 2HB ASN 72 14.739 3.795 1.036 551 HD21 ASN 72 1HD2 ASN 72 16.405 5.814 1.218 552 HD22 ASN 72 2HD2 ASN 72 17.669 5.720 0.045 553 H ASN 73 H ASN 73 11.627 4.647 0.010 554 HA ASN 73 HA ASN 73 10.791 2.675 1.815 555 HB2 ASN 73 1HB ASN 73 9.071 4.679 0.335 556 HB3 ASN 73 2HB ASN 73 8.632 3.827 1.812 557 HD21 ASN 73 1HD2 ASN 73 8.309 6.199 2.348 558 HD22 ASN 73 2HD2 ASN 73 9.648 7.003 3.086 559 H ILE 74 H ILE 74 9.550 3.374 -1.456 560 HA ILE 74 HA ILE 74 7.722 1.338 -1.697 561 HB ILE 74 HB ILE 74 9.559 2.368 -3.862 562 HG12 ILE 74 1HG1 ILE 74 6.705 3.193 -3.405 563 HG13 ILE 74 2HG1 ILE 74 8.016 3.978 -2.531 564 HG21 ILE 74 1HG2 ILE 74 7.381 1.679 -5.206 565 HG22 ILE 74 2HG2 ILE 74 8.687 0.537 -4.896 566 HG23 ILE 74 3HG2 ILE 74 7.241 0.517 -3.887 567 HD11 ILE 74 1HD1 ILE 74 7.090 4.416 -5.203 568 HD12 ILE 74 2HD1 ILE 74 8.253 5.340 -4.253 569 HD13 ILE 74 3HD1 ILE 74 8.795 3.965 -5.215 570 H ASN 75 H ASN 75 11.184 1.195 -2.517 571 HA ASN 75 HA ASN 75 11.225 -1.481 -3.346 572 HB2 ASN 75 1HB ASN 75 13.272 0.478 -2.418 573 HB3 ASN 75 2HB ASN 75 13.731 -1.221 -2.482 574 HD21 ASN 75 1HD2 ASN 75 13.092 1.620 -4.265 575 HD22 ASN 75 2HD2 ASN 75 13.409 0.978 -5.838 576 H ASP 76 H ASP 76 11.760 -0.031 -0.159 577 HA ASP 76 HA ASP 76 12.524 -2.324 1.227 578 HB2 ASP 76 1HB ASP 76 11.272 0.273 1.992 579 HB3 ASP 76 2HB ASP 76 11.279 -1.025 3.184 580 H PHE 77 H PHE 77 9.281 -1.000 0.655 581 HA PHE 77 HA PHE 77 7.836 -2.861 2.153 582 HB2 PHE 77 1HB PHE 77 6.570 -1.036 1.480 583 HB3 PHE 77 2HB PHE 77 7.178 -1.094 -0.171 584 HD1 PHE 77 1HD PHE 77 5.232 -3.252 2.172 585 HD2 PHE 77 2HD PHE 77 5.711 -1.775 -1.791 586 HE1 PHE 77 1HE PHE 77 3.210 -4.469 1.478 587 HE2 PHE 77 2HE PHE 77 3.690 -2.990 -2.492 588 HZ PHE 77 HZ PHE 77 2.436 -4.339 -0.857 589 H LEU 78 H LEU 78 8.804 -2.928 -1.258 590 HA LEU 78 HA LEU 78 7.505 -5.253 -2.037 591 HB2 LEU 78 1HB LEU 78 10.170 -4.164 -2.926 592 HB3 LEU 78 2HB LEU 78 9.299 -5.458 -3.747 593 HG LEU 78 HG LEU 78 8.269 -2.642 -3.408 594 HD11 LEU 78 1HD1 LEU 78 10.283 -2.793 -4.849 595 HD12 LEU 78 2HD1 LEU 78 8.832 -2.288 -5.714 596 HD13 LEU 78 3HD1 LEU 78 9.420 -3.943 -5.871 597 HD21 LEU 78 1HD2 LEU 78 6.907 -4.995 -3.960 598 HD22 LEU 78 2HD2 LEU 78 7.155 -4.252 -5.540 599 HD23 LEU 78 3HD2 LEU 78 6.340 -3.352 -4.260 600 H LYS 79 H LYS 79 10.748 -4.875 -0.637 601 HA LYS 79 HA LYS 79 11.821 -7.325 -0.721 602 HB2 LYS 79 1HB LYS 79 11.624 -5.619 1.769 603 HB3 LYS 79 2HB LYS 79 12.761 -6.942 1.543 604 HG2 LYS 79 1HG LYS 79 13.552 -5.641 -0.524 605 HG3 LYS 79 2HG LYS 79 12.688 -4.275 0.186 606 HD2 LYS 79 1HD LYS 79 14.009 -4.661 2.288 607 HD3 LYS 79 2HD LYS 79 14.975 -5.831 1.385 608 HE2 LYS 79 1HE LYS 79 15.266 -3.865 -0.302 609 HE3 LYS 79 2HE LYS 79 14.802 -2.862 1.072 610 HZ1 LYS 79 1HZ LYS 79 16.928 -4.870 1.391 611 HZ2 LYS 79 2HZ LYS 79 16.688 -3.422 2.232 612 HZ3 LYS 79 3HZ LYS 79 17.285 -3.391 0.650 613 H GLY 80 H GLY 80 9.040 -6.420 1.229 614 HA2 GLY 80 1HA GLY 80 8.914 -9.049 2.473 615 HA3 GLY 80 2HA GLY 80 7.828 -7.701 2.771 616 H CYS 81 H CYS 81 7.098 -7.163 0.095 617 HA CYS 81 HA CYS 81 4.877 -8.727 -0.254 618 HB2 CYS 81 1HB CYS 81 4.612 -7.732 -2.367 619 HB3 CYS 81 2HB CYS 81 5.542 -6.553 -1.451 620 HG CYS 81 HG CYS 81 7.967 -7.934 -2.646 621 H ALA 82 H ALA 82 8.144 -9.334 -1.372 622 HA ALA 82 HA ALA 82 7.672 -11.374 -3.206 623 HB1 ALA 82 1HB ALA 82 9.949 -10.429 -1.630 624 HB2 ALA 82 2HB ALA 82 10.023 -12.140 -2.055 625 HB3 ALA 82 3HB ALA 82 9.863 -10.924 -3.321 626 H THR 83 H THR 83 8.216 -11.593 0.302 627 HA THR 83 HA THR 83 8.230 -14.303 0.670 628 HB THR 83 HB THR 83 6.790 -12.324 2.447 629 HG1 THR 83 1HG THR 83 9.412 -13.236 2.903 630 HG21 THR 83 1HG2 THR 83 8.068 -14.962 3.166 631 HG22 THR 83 2HG2 THR 83 6.340 -14.743 2.894 632 HG23 THR 83 3HG2 THR 83 7.137 -13.901 4.222 633 H LEU 84 H LEU 84 5.430 -12.224 0.142 634 HA LEU 84 HA LEU 84 3.501 -14.284 0.584 635 HB2 LEU 84 1HB LEU 84 3.231 -11.658 -0.870 636 HB3 LEU 84 2HB LEU 84 1.899 -12.693 -0.359 637 HG LEU 84 HG LEU 84 3.796 -11.652 1.696 638 HD11 LEU 84 1HD1 LEU 84 1.982 -9.751 1.859 639 HD12 LEU 84 2HD1 LEU 84 1.840 -10.053 0.127 640 HD13 LEU 84 3HD1 LEU 84 3.394 -9.583 0.816 641 HD21 LEU 84 1HD2 LEU 84 0.882 -11.705 2.098 642 HD22 LEU 84 2HD2 LEU 84 2.187 -12.249 3.153 643 HD23 LEU 84 3HD2 LEU 84 1.638 -13.276 1.827 644 H GLN 85 H GLN 85 5.409 -13.252 -2.108 645 HA GLN 85 HA GLN 85 5.626 -14.018 -4.238 646 HB2 GLN 85 1HB GLN 85 4.120 -16.391 -3.126 647 HB3 GLN 85 2HB GLN 85 4.945 -16.359 -4.679 648 HG2 GLN 85 1HG GLN 85 6.372 -15.826 -2.095 649 HG3 GLN 85 2HG GLN 85 6.161 -17.451 -2.745 650 HE21 GLN 85 1HE2 GLN 85 6.886 -17.715 -5.044 651 HE22 GLN 85 2HE2 GLN 85 8.355 -16.929 -5.499 652 H VAL 86 H VAL 86 3.625 -12.199 -3.914 653 HA VAL 86 HA VAL 86 1.475 -13.226 -5.652 654 HB VAL 86 HB VAL 86 0.036 -11.437 -4.750 655 HG11 VAL 86 1HG1 VAL 86 -0.338 -12.436 -2.541 656 HG12 VAL 86 2HG1 VAL 86 -0.073 -13.666 -3.779 657 HG13 VAL 86 3HG1 VAL 86 1.221 -13.253 -2.653 658 HG21 VAL 86 1HG2 VAL 86 1.150 -9.692 -3.877 659 HG22 VAL 86 2HG2 VAL 86 1.127 -10.640 -2.391 660 HG23 VAL 86 3HG2 VAL 86 2.547 -10.674 -3.436 661 H GLU 87 H GLU 87 0.337 -11.078 -6.647 662 HA GLU 87 HA GLU 87 2.026 -10.202 -8.674 663 HB2 GLU 87 1HB GLU 87 -0.585 -9.159 -7.610 664 HB3 GLU 87 2HB GLU 87 0.246 -8.341 -8.926 665 HG2 GLU 87 1HG GLU 87 0.166 -10.390 -10.253 666 HG3 GLU 87 2HG GLU 87 -0.669 -11.209 -8.934 667 H ILE 88 H ILE 88 3.395 -8.528 -8.929 668 HA ILE 88 HA ILE 88 3.545 -6.518 -6.786 669 HB ILE 88 HB ILE 88 6.009 -6.539 -6.970 670 HG12 ILE 88 1HG1 ILE 88 5.889 -9.193 -8.337 671 HG13 ILE 88 2HG1 ILE 88 5.768 -7.738 -9.318 672 HG21 ILE 88 1HG2 ILE 88 6.332 -8.780 -5.840 673 HG22 ILE 88 2HG2 ILE 88 5.113 -7.720 -5.134 674 HG23 ILE 88 3HG2 ILE 88 4.621 -9.076 -6.149 675 HD11 ILE 88 1HD1 ILE 88 7.982 -7.731 -9.353 676 HD12 ILE 88 2HD1 ILE 88 7.922 -7.249 -7.657 677 HD13 ILE 88 3HD1 ILE 88 8.077 -8.953 -8.085 678 H PHE 89 H PHE 89 5.218 -4.739 -7.562 679 HA PHE 89 HA PHE 89 4.943 -4.193 -10.414 680 HB2 PHE 89 1HB PHE 89 4.160 -1.845 -9.872 681 HB3 PHE 89 2HB PHE 89 2.974 -3.120 -9.612 682 HD1 PHE 89 1HD PHE 89 5.353 -0.864 -7.916 683 HD2 PHE 89 2HD PHE 89 2.054 -3.518 -7.480 684 HE1 PHE 89 1HE PHE 89 5.050 -0.101 -5.597 685 HE2 PHE 89 2HE PHE 89 1.745 -2.758 -5.161 686 HZ PHE 89 HZ PHE 89 3.244 -1.047 -4.216 687 H ASP 90 H ASP 90 5.961 -1.803 -10.721 688 HA ASP 90 HA ASP 90 8.628 -2.015 -9.523 689 HB2 ASP 90 1HB ASP 90 7.572 -0.860 -12.073 690 HB3 ASP 90 2HB ASP 90 9.078 -0.231 -11.408 691 HA PRO 91 HA PRO 91 8.271 1.649 -7.139 692 HB2 PRO 91 1HB PRO 91 10.729 2.765 -7.427 693 HB3 PRO 91 2HB PRO 91 10.442 1.307 -6.470 694 HG2 PRO 91 1HG PRO 91 11.482 1.564 -9.266 695 HG3 PRO 91 2HG PRO 91 12.044 0.509 -7.956 696 HD2 PRO 91 1HD PRO 91 10.450 -0.377 -9.958 697 HD3 PRO 91 2HD PRO 91 10.368 -1.034 -8.311 698 H ASP 92 H ASP 92 8.758 1.811 -10.497 699 HA ASP 92 HA ASP 92 8.630 4.722 -10.605 700 HB2 ASP 92 1HB ASP 92 8.902 2.614 -12.752 701 HB3 ASP 92 2HB ASP 92 8.755 4.335 -13.095 702 H ASP 93 H ASP 93 6.718 1.903 -11.585 703 HA ASP 93 HA ASP 93 4.610 3.184 -12.840 704 HB2 ASP 93 1HB ASP 93 4.678 0.666 -11.179 705 HB3 ASP 93 2HB ASP 93 3.234 1.199 -12.036 706 H LEU 94 H LEU 94 5.122 2.591 -9.392 707 HA LEU 94 HA LEU 94 2.610 3.791 -8.648 708 HB2 LEU 94 1HB LEU 94 3.352 2.079 -7.221 709 HB3 LEU 94 2HB LEU 94 4.976 2.756 -7.119 710 HG LEU 94 HG LEU 94 4.083 4.623 -5.776 711 HD11 LEU 94 1HD1 LEU 94 1.518 3.095 -5.532 712 HD12 LEU 94 2HD1 LEU 94 1.735 4.323 -6.779 713 HD13 LEU 94 3HD1 LEU 94 1.870 4.762 -5.076 714 HD21 LEU 94 1HD2 LEU 94 3.593 1.817 -4.802 715 HD22 LEU 94 2HD2 LEU 94 3.520 3.234 -3.753 716 HD23 LEU 94 3HD2 LEU 94 5.029 2.815 -4.567 717 H TYR 95 H TYR 95 6.024 4.642 -8.048 718 HA TYR 95 HA TYR 95 5.672 7.107 -6.892 719 HB2 TYR 95 1HB TYR 95 7.850 5.872 -7.252 720 HB3 TYR 95 2HB TYR 95 7.853 6.507 -8.894 721 HD1 TYR 95 2HD TYR 95 7.016 8.084 -5.611 722 HD2 TYR 95 1HD TYR 95 9.515 8.106 -9.054 723 HE1 TYR 95 2HE TYR 95 8.096 10.143 -4.807 724 HE2 TYR 95 1HE TYR 95 10.603 10.163 -8.260 725 HH TYR 95 HH TYR 95 10.346 11.932 -6.788 726 H SER 96 H SER 96 6.209 6.524 -10.371 727 HA SER 96 HA SER 96 5.624 9.215 -11.097 728 HB2 SER 96 1HB SER 96 5.860 6.673 -12.714 729 HB3 SER 96 2HB SER 96 5.550 8.250 -13.441 730 HG SER 96 HG SER 96 7.866 7.241 -12.291 731 H GLY 97 H GLY 97 3.846 6.183 -11.742 732 HA2 GLY 97 1HA GLY 97 1.466 6.101 -11.156 733 HA3 GLY 97 2HA GLY 97 1.358 7.776 -11.679 734 H VAL 98 H VAL 98 2.909 4.987 -13.238 735 HA VAL 98 HA VAL 98 1.478 5.628 -15.698 736 HB VAL 98 HB VAL 98 3.699 3.642 -15.193 737 HG11 VAL 98 1HG1 VAL 98 3.842 3.808 -17.760 738 HG12 VAL 98 2HG1 VAL 98 2.580 2.798 -17.051 739 HG13 VAL 98 3HG1 VAL 98 2.185 4.405 -17.664 740 HG21 VAL 98 1HG2 VAL 98 4.814 5.450 -16.788 741 HG22 VAL 98 2HG2 VAL 98 3.632 6.497 -16.003 742 HG23 VAL 98 3HG2 VAL 98 4.816 5.622 -15.033 743 H ASN 99 H ASN 99 2.203 2.683 -13.813 744 HA ASN 99 HA ASN 99 -0.340 1.558 -14.788 745 HB2 ASN 99 1HB ASN 99 2.296 0.231 -14.177 746 HB3 ASN 99 2HB ASN 99 0.795 -0.685 -14.261 747 HD21 ASN 99 1HD2 ASN 99 2.587 -1.495 -15.952 748 HD22 ASN 99 2HD2 ASN 99 2.281 -0.949 -17.563 749 H PHE 100 H PHE 100 -1.460 2.523 -13.017 750 HA PHE 100 HA PHE 100 -0.738 1.856 -10.315 751 HB2 PHE 100 1HB PHE 100 -1.844 3.980 -10.798 752 HB3 PHE 100 2HB PHE 100 -3.243 3.126 -11.440 753 HD1 PHE 100 2HD PHE 100 -1.198 2.820 -8.330 754 HD2 PHE 100 1HD PHE 100 -5.057 3.313 -10.058 755 HE1 PHE 100 2HE PHE 100 -2.204 2.789 -6.085 756 HE2 PHE 100 1HE PHE 100 -6.068 3.285 -7.816 757 HZ PHE 100 HZ PHE 100 -4.642 3.021 -5.825 758 H SER 101 H SER 101 -3.268 0.866 -12.592 759 HA SER 101 HA SER 101 -4.938 -0.674 -11.200 760 HB2 SER 101 1HB SER 101 -5.136 -0.630 -13.582 761 HB3 SER 101 2HB SER 101 -3.563 -1.399 -13.791 762 HG SER 101 HG SER 101 -4.434 -3.292 -13.431 763 H LYS 102 H LYS 102 -1.614 -1.582 -11.978 764 HA LYS 102 HA LYS 102 -1.717 -4.192 -10.903 765 HB2 LYS 102 1HB LYS 102 0.516 -2.279 -11.518 766 HB3 LYS 102 2HB LYS 102 0.842 -3.812 -10.721 767 HG2 LYS 102 1HG LYS 102 0.021 -5.046 -12.581 768 HG3 LYS 102 2HG LYS 102 -0.608 -3.584 -13.346 769 HD2 LYS 102 1HD LYS 102 1.368 -3.940 -14.502 770 HD3 LYS 102 2HD LYS 102 1.860 -2.784 -13.262 771 HE2 LYS 102 1HE LYS 102 3.537 -4.418 -13.239 772 HE3 LYS 102 2HE LYS 102 2.506 -4.825 -11.868 773 HZ1 LYS 102 1HZ LYS 102 3.062 -6.794 -13.121 774 HZ2 LYS 102 2HZ LYS 102 2.446 -6.116 -14.543 775 HZ3 LYS 102 3HZ LYS 102 1.405 -6.485 -13.262 776 H VAL 103 H VAL 103 -0.334 -1.200 -9.534 777 HA VAL 103 HA VAL 103 0.437 -2.083 -7.071 778 HB VAL 103 HB VAL 103 -0.930 0.544 -7.671 779 HG11 VAL 103 1HG1 VAL 103 -0.449 -0.458 -5.193 780 HG12 VAL 103 2HG1 VAL 103 1.055 0.407 -5.513 781 HG13 VAL 103 3HG1 VAL 103 -0.488 1.260 -5.587 782 HG21 VAL 103 1HG2 VAL 103 1.505 -0.477 -8.587 783 HG22 VAL 103 2HG2 VAL 103 0.951 1.196 -8.665 784 HG23 VAL 103 3HG2 VAL 103 1.924 0.652 -7.299 785 H LEU 104 H LEU 104 -2.832 -1.071 -8.016 786 HA LEU 104 HA LEU 104 -4.054 -1.330 -5.516 787 HB2 LEU 104 1HB LEU 104 -5.039 -0.258 -7.536 788 HB3 LEU 104 2HB LEU 104 -5.310 -1.867 -8.203 789 HG LEU 104 HG LEU 104 -6.763 -2.322 -6.184 790 HD11 LEU 104 1HD1 LEU 104 -7.486 0.377 -5.677 791 HD12 LEU 104 2HD1 LEU 104 -5.751 0.208 -5.415 792 HD13 LEU 104 3HD1 LEU 104 -6.879 -0.835 -4.549 793 HD21 LEU 104 1HD2 LEU 104 -7.341 -0.506 -8.443 794 HD22 LEU 104 2HD2 LEU 104 -8.536 -0.560 -7.147 795 HD23 LEU 104 3HD2 LEU 104 -8.088 -2.040 -7.997 796 H SER 105 H SER 105 -3.906 -3.681 -8.191 797 HA SER 105 HA SER 105 -5.233 -5.769 -6.900 798 HB2 SER 105 1HB SER 105 -2.983 -6.185 -8.867 799 HB3 SER 105 2HB SER 105 -4.411 -7.188 -8.616 800 HG SER 105 HG SER 105 -5.665 -5.443 -9.431 801 H THR 106 H THR 106 -1.735 -5.157 -7.159 802 HA THR 106 HA THR 106 -0.655 -7.264 -5.861 803 HB THR 106 HB THR 106 0.116 -4.378 -5.383 804 HG1 THR 106 1HG THR 106 1.478 -6.104 -7.130 805 HG21 THR 106 1HG2 THR 106 2.408 -5.862 -5.244 806 HG22 THR 106 2HG2 THR 106 1.239 -6.922 -4.456 807 HG23 THR 106 3HG2 THR 106 1.492 -5.284 -3.853 808 H LEU 107 H LEU 107 -2.026 -4.405 -4.241 809 HA LEU 107 HA LEU 107 -1.603 -5.367 -1.613 810 HB2 LEU 107 1HB LEU 107 -3.415 -3.264 -2.762 811 HB3 LEU 107 2HB LEU 107 -3.375 -3.631 -1.038 812 HG LEU 107 HG LEU 107 -0.972 -2.722 -2.616 813 HD11 LEU 107 1HD1 LEU 107 -1.515 -0.616 -1.094 814 HD12 LEU 107 2HD1 LEU 107 -3.161 -1.206 -1.316 815 HD13 LEU 107 3HD1 LEU 107 -2.174 -0.798 -2.720 816 HD21 LEU 107 1HD2 LEU 107 -1.171 -3.928 -0.129 817 HD22 LEU 107 2HD2 LEU 107 -1.035 -2.207 0.234 818 HD23 LEU 107 3HD2 LEU 107 0.199 -3.003 -0.744 819 H LEU 108 H LEU 108 -4.396 -5.455 -3.789 820 HA LEU 108 HA LEU 108 -6.323 -6.470 -2.104 821 HB2 LEU 108 1HB LEU 108 -5.782 -6.742 -5.018 822 HB3 LEU 108 2HB LEU 108 -7.032 -7.752 -4.296 823 HG LEU 108 HG LEU 108 -7.002 -4.742 -4.132 824 HD11 LEU 108 1HD1 LEU 108 -7.188 -5.592 -6.468 825 HD12 LEU 108 2HD1 LEU 108 -8.603 -4.704 -5.904 826 HD13 LEU 108 3HD1 LEU 108 -8.640 -6.466 -5.980 827 HD21 LEU 108 1HD2 LEU 108 -9.439 -6.410 -3.841 828 HD22 LEU 108 2HD2 LEU 108 -9.015 -4.878 -3.077 829 HD23 LEU 108 3HD2 LEU 108 -8.296 -6.381 -2.498 830 H ALA 109 H ALA 109 -3.878 -8.270 -3.944 831 HA ALA 109 HA ALA 109 -4.695 -10.847 -3.175 832 HB1 ALA 109 1HB ALA 109 -1.859 -10.761 -3.536 833 HB2 ALA 109 2HB ALA 109 -3.098 -11.424 -4.602 834 HB3 ALA 109 3HB ALA 109 -2.638 -9.726 -4.733 835 H VAL 110 H VAL 110 -2.075 -8.809 -1.867 836 HA VAL 110 HA VAL 110 -1.185 -10.445 0.155 837 HB VAL 110 HB VAL 110 -1.472 -7.440 0.272 838 HG11 VAL 110 1HG1 VAL 110 0.584 -7.770 1.812 839 HG12 VAL 110 2HG1 VAL 110 -1.032 -8.043 2.468 840 HG13 VAL 110 3HG1 VAL 110 -0.027 -9.414 1.996 841 HG21 VAL 110 1HG2 VAL 110 0.371 -9.246 -1.126 842 HG22 VAL 110 2HG2 VAL 110 -0.039 -7.563 -1.457 843 HG23 VAL 110 3HG2 VAL 110 1.151 -7.953 -0.215 844 H ASN 111 H ASN 111 -3.827 -8.069 0.330 845 HA ASN 111 HA ASN 111 -4.506 -8.411 3.002 846 HB2 ASN 111 1HB ASN 111 -5.550 -6.605 1.958 847 HB3 ASN 111 2HB ASN 111 -6.060 -7.571 0.576 848 HD21 ASN 111 1HD2 ASN 111 -6.695 -6.783 3.914 849 HD22 ASN 111 2HD2 ASN 111 -8.317 -7.377 3.950 850 H LYS 112 H LYS 112 -5.593 -10.203 0.150 851 HA LYS 112 HA LYS 112 -7.448 -11.847 1.526 852 HB2 LYS 112 1HB LYS 112 -6.081 -12.007 -1.143 853 HB3 LYS 112 2HB LYS 112 -7.060 -13.349 -0.562 854 HG2 LYS 112 1HG LYS 112 -8.076 -10.528 -0.803 855 HG3 LYS 112 2HG LYS 112 -8.242 -11.747 -2.069 856 HD2 LYS 112 1HD LYS 112 -9.308 -13.191 -0.201 857 HD3 LYS 112 2HD LYS 112 -9.503 -11.655 0.648 858 HE2 LYS 112 1HE LYS 112 -10.436 -12.011 -2.181 859 HE3 LYS 112 2HE LYS 112 -11.441 -12.498 -0.818 860 HZ1 LYS 112 1HZ LYS 112 -10.870 -10.081 -0.023 861 HZ2 LYS 112 2HZ LYS 112 -12.141 -10.366 -1.101 862 HZ3 LYS 112 3HZ LYS 112 -10.651 -9.814 -1.679 863 H ALA 113 H ALA 113 -4.092 -12.369 0.479 864 HA ALA 113 HA ALA 113 -3.816 -15.001 1.369 865 HB1 ALA 113 1HB ALA 113 -2.181 -13.127 0.161 866 HB2 ALA 113 2HB ALA 113 -1.386 -13.453 1.701 867 HB3 ALA 113 3HB ALA 113 -1.740 -14.779 0.593 868 H THR 114 H THR 114 -3.380 -11.940 3.076 869 HA THR 114 HA THR 114 -2.355 -13.090 5.467 870 HB THR 114 HB THR 114 -2.923 -10.887 6.504 871 HG1 THR 114 1HG THR 114 -4.011 -9.393 5.367 872 HG21 THR 114 1HG2 THR 114 -1.109 -9.851 5.573 873 HG22 THR 114 2HG2 THR 114 -1.604 -10.226 3.922 874 HG23 THR 114 3HG2 THR 114 -0.868 -11.474 4.927 875 H GLU 115 H GLU 115 -5.589 -12.119 4.407 876 HA GLU 115 HA GLU 115 -6.757 -12.979 6.926 877 HB2 GLU 115 1HB GLU 115 -8.774 -12.013 6.183 878 HB3 GLU 115 2HB GLU 115 -7.512 -10.930 5.610 879 HG2 GLU 115 1HG GLU 115 -8.814 -11.075 3.747 880 HG3 GLU 115 2HG GLU 115 -7.675 -12.385 3.440 881 H SER 116 H SER 116 -7.476 -14.965 7.283 882 HA SER 116 HA SER 116 -7.150 -17.172 5.811 883 HB2 SER 116 1HB SER 116 -9.283 -16.426 7.766 884 HB3 SER 116 2HB SER 116 -9.444 -17.948 6.890 885 HG SER 116 HG SER 116 -8.201 -18.623 8.465 886 H GLY 117 H GLY 117 -7.635 -17.704 3.793 887 HA2 GLY 117 1HA GLY 117 -10.336 -17.486 2.812 888 HA3 GLY 117 2HA GLY 117 -9.216 -16.393 2.013 889 HA PRO 118 HA PRO 118 -9.137 -20.269 -0.437 890 HB2 PRO 118 1HB PRO 118 -8.831 -19.004 -2.819 891 HB3 PRO 118 2HB PRO 118 -10.409 -19.262 -2.064 892 HG2 PRO 118 1HG PRO 118 -8.692 -16.810 -2.073 893 HG3 PRO 118 2HG PRO 118 -10.445 -16.949 -2.298 894 HD2 PRO 118 1HD PRO 118 -9.333 -16.205 0.056 895 HD3 PRO 118 2HD PRO 118 -10.848 -17.126 -0.035 896 H SER 119 H SER 119 -7.180 -21.128 0.056 897 HA SER 119 HA SER 119 -4.740 -19.677 -0.593 898 HB2 SER 119 1HB SER 119 -5.174 -22.346 0.770 899 HB3 SER 119 2HB SER 119 -3.602 -21.581 0.534 900 HG SER 119 HG SER 119 -5.175 -21.231 2.553 901 H SER 120 H SER 120 -4.521 -19.707 -2.791 902 HA SER 120 HA SER 120 -4.462 -22.343 -4.100 903 HB2 SER 120 1HB SER 120 -5.029 -19.577 -5.151 904 HB3 SER 120 2HB SER 120 -4.583 -20.896 -6.233 905 HG SER 120 HG SER 120 -6.961 -20.370 -5.127 906 H GLY 121 H GLY 121 -2.532 -23.148 -4.565 907 HA2 GLY 121 1HA GLY 121 -0.199 -21.387 -4.498 908 HA3 GLY 121 2HA GLY 121 -0.175 -23.144 -4.454 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -21.911 4.960 -7.194 2 HA2 GLY 1 1HA GLY 1 -22.668 3.424 -5.377 3 HA3 GLY 1 2HA GLY 1 -23.469 3.091 -6.905 4 H SER 2 H SER 2 -23.798 0.933 -6.102 5 HA SER 2 HA SER 2 -23.299 -1.278 -5.865 6 HB2 SER 2 1HB SER 2 -21.386 -0.381 -8.006 7 HB3 SER 2 2HB SER 2 -21.401 -2.056 -7.453 8 HG SER 2 HG SER 2 -23.251 -2.368 -8.428 9 H SER 3 H SER 3 -22.237 0.301 -3.847 10 HA SER 3 HA SER 3 -19.585 0.201 -3.244 11 HB2 SER 3 1HB SER 3 -21.903 -0.329 -1.371 12 HB3 SER 3 2HB SER 3 -20.258 0.035 -0.847 13 HG SER 3 HG SER 3 -20.796 2.045 -1.047 14 H GLY 4 H GLY 4 -18.171 -1.256 -2.249 15 HA2 GLY 4 1HA GLY 4 -17.592 -3.364 -1.316 16 HA3 GLY 4 2HA GLY 4 -19.082 -4.030 -1.967 17 H SER 5 H SER 5 -19.116 -3.714 -4.524 18 HA SER 5 HA SER 5 -17.407 -5.547 -5.621 19 HB2 SER 5 1HB SER 5 -18.570 -3.172 -7.096 20 HB3 SER 5 2HB SER 5 -18.056 -4.701 -7.809 21 HG SER 5 HG SER 5 -19.997 -5.372 -7.418 22 H SER 6 H SER 6 -17.013 -2.012 -5.673 23 HA SER 6 HA SER 6 -14.625 -1.908 -7.102 24 HB2 SER 6 1HB SER 6 -14.324 0.317 -6.148 25 HB3 SER 6 2HB SER 6 -16.021 0.069 -6.562 26 HG SER 6 HG SER 6 -14.930 0.634 -4.174 27 H GLY 7 H GLY 7 -12.444 -1.570 -6.395 28 HA2 GLY 7 1HA GLY 7 -11.852 -3.067 -3.928 29 HA3 GLY 7 2HA GLY 7 -10.766 -2.901 -5.300 30 H GLU 8 H GLU 8 -11.009 -0.110 -5.678 31 HA GLU 8 HA GLU 8 -8.981 0.943 -4.246 32 HB2 GLU 8 1HB GLU 8 -11.472 2.321 -5.240 33 HB3 GLU 8 2HB GLU 8 -10.113 3.202 -4.557 34 HG2 GLU 8 1HG GLU 8 -9.732 1.301 -6.836 35 HG3 GLU 8 2HG GLU 8 -10.270 2.958 -7.105 36 H GLU 9 H GLU 9 -12.403 1.369 -3.324 37 HA GLU 9 HA GLU 9 -11.965 2.644 -0.894 38 HB2 GLU 9 1HB GLU 9 -14.171 2.602 -1.807 39 HB3 GLU 9 2HB GLU 9 -14.207 0.844 -1.805 40 HG2 GLU 9 1HG GLU 9 -13.870 2.287 0.776 41 HG3 GLU 9 2HG GLU 9 -15.464 2.217 0.027 42 H GLN 10 H GLN 10 -12.382 -0.828 -1.540 43 HA GLN 10 HA GLN 10 -12.264 -1.819 1.019 44 HB2 GLN 10 1HB GLN 10 -11.365 -2.892 -1.624 45 HB3 GLN 10 2HB GLN 10 -10.989 -3.793 -0.161 46 HG2 GLN 10 1HG GLN 10 -13.560 -3.442 0.300 47 HG3 GLN 10 2HG GLN 10 -13.609 -3.276 -1.455 48 HE21 GLN 10 1HE2 GLN 10 -12.572 -5.398 1.158 49 HE22 GLN 10 2HE2 GLN 10 -12.720 -6.870 0.266 50 H ILE 11 H ILE 11 -9.532 -1.050 -1.116 51 HA ILE 11 HA ILE 11 -7.516 -1.833 0.706 52 HB ILE 11 HB ILE 11 -7.395 0.106 -1.605 53 HG12 ILE 11 1HG1 ILE 11 -7.981 -2.191 -2.243 54 HG13 ILE 11 2HG1 ILE 11 -6.364 -1.776 -2.803 55 HG21 ILE 11 1HG2 ILE 11 -5.190 -1.102 0.055 56 HG22 ILE 11 2HG2 ILE 11 -4.936 -0.300 -1.494 57 HG23 ILE 11 3HG2 ILE 11 -5.582 0.608 -0.127 58 HD11 ILE 11 1HD1 ILE 11 -6.095 -2.932 -0.244 59 HD12 ILE 11 2HD1 ILE 11 -7.186 -3.953 -1.181 60 HD13 ILE 11 3HD1 ILE 11 -5.579 -3.576 -1.802 61 H VAL 12 H VAL 12 -8.839 1.368 -0.119 62 HA VAL 12 HA VAL 12 -7.293 2.943 1.537 63 HB VAL 12 HB VAL 12 -10.202 3.265 0.800 64 HG11 VAL 12 1HG1 VAL 12 -10.161 4.717 2.547 65 HG12 VAL 12 2HG1 VAL 12 -8.411 4.933 2.472 66 HG13 VAL 12 3HG1 VAL 12 -9.453 5.767 1.319 67 HG21 VAL 12 1HG2 VAL 12 -9.477 4.609 -0.970 68 HG22 VAL 12 2HG2 VAL 12 -7.865 4.806 -0.283 69 HG23 VAL 12 3HG2 VAL 12 -8.346 3.256 -0.973 70 H THR 13 H THR 13 -10.445 1.479 2.329 71 HA THR 13 HA THR 13 -10.424 2.295 5.039 72 HB THR 13 HB THR 13 -11.940 0.002 3.776 73 HG1 THR 13 1HG THR 13 -13.647 1.727 3.909 74 HG21 THR 13 1HG2 THR 13 -13.511 0.378 5.678 75 HG22 THR 13 2HG2 THR 13 -12.323 1.474 6.384 76 HG23 THR 13 3HG2 THR 13 -11.932 -0.232 6.171 77 H TRP 14 H TRP 14 -9.230 -0.550 3.374 78 HA TRP 14 HA TRP 14 -8.820 -2.190 5.627 79 HB2 TRP 14 1HB TRP 14 -8.782 -3.094 3.364 80 HB3 TRP 14 2HB TRP 14 -7.358 -2.131 2.978 81 HD1 TRP 14 HD TRP 14 -7.907 -4.341 6.114 82 HE1 TRP 14 1HE TRP 14 -6.011 -6.080 6.201 83 HE3 TRP 14 3HE TRP 14 -5.568 -3.211 1.711 84 HZ2 TRP 14 2HZ TRP 14 -3.814 -6.867 4.613 85 HZ3 TRP 14 3HZ TRP 14 -3.576 -4.504 1.068 86 HH2 TRP 14 HH TRP 14 -2.718 -6.293 2.490 87 H LEU 15 H LEU 15 -6.593 -0.021 3.892 88 HA LEU 15 HA LEU 15 -4.336 -0.452 5.466 89 HB2 LEU 15 1HB LEU 15 -5.243 1.998 3.969 90 HB3 LEU 15 2HB LEU 15 -3.653 1.845 4.715 91 HG LEU 15 HG LEU 15 -4.662 -0.029 2.583 92 HD11 LEU 15 1HD1 LEU 15 -4.614 2.192 1.640 93 HD12 LEU 15 2HD1 LEU 15 -3.248 1.260 1.030 94 HD13 LEU 15 3HD1 LEU 15 -2.998 2.467 2.290 95 HD21 LEU 15 1HD2 LEU 15 -2.405 -0.730 2.404 96 HD22 LEU 15 2HD2 LEU 15 -2.800 -0.741 4.123 97 HD23 LEU 15 3HD2 LEU 15 -1.843 0.577 3.446 98 H ILE 16 H ILE 16 -6.823 2.078 5.781 99 HA ILE 16 HA ILE 16 -5.786 3.324 8.055 100 HB ILE 16 HB ILE 16 -8.692 3.053 7.274 101 HG12 ILE 16 1HG1 ILE 16 -6.823 5.351 6.695 102 HG13 ILE 16 2HG1 ILE 16 -7.087 4.034 5.558 103 HG21 ILE 16 1HG2 ILE 16 -9.215 4.312 9.027 104 HG22 ILE 16 2HG2 ILE 16 -7.563 4.098 9.604 105 HG23 ILE 16 3HG2 ILE 16 -7.976 5.497 8.614 106 HD11 ILE 16 1HD1 ILE 16 -8.611 5.508 4.770 107 HD12 ILE 16 2HD1 ILE 16 -9.618 4.699 5.972 108 HD13 ILE 16 3HD1 ILE 16 -8.874 6.253 6.346 109 H SER 17 H SER 17 -8.356 0.857 7.859 110 HA SER 17 HA SER 17 -8.881 0.513 10.528 111 HB2 SER 17 1HB SER 17 -9.436 -1.882 9.921 112 HB3 SER 17 2HB SER 17 -10.211 -0.655 8.918 113 HG SER 17 HG SER 17 -7.741 -1.663 8.091 114 H LEU 18 H LEU 18 -6.117 -0.608 8.706 115 HA LEU 18 HA LEU 18 -5.138 -2.378 10.728 116 HB2 LEU 18 1HB LEU 18 -4.052 -1.237 8.191 117 HB3 LEU 18 2HB LEU 18 -2.962 -2.036 9.323 118 HG LEU 18 HG LEU 18 -5.406 -3.366 8.168 119 HD11 LEU 18 1HD1 LEU 18 -2.556 -3.543 7.202 120 HD12 LEU 18 2HD1 LEU 18 -3.872 -2.720 6.365 121 HD13 LEU 18 3HD1 LEU 18 -3.928 -4.468 6.592 122 HD21 LEU 18 1HD2 LEU 18 -2.931 -4.580 9.377 123 HD22 LEU 18 2HD2 LEU 18 -4.448 -5.383 8.972 124 HD23 LEU 18 3HD2 LEU 18 -4.390 -4.227 10.303 125 H GLY 19 H GLY 19 -4.379 0.938 9.723 126 HA2 GLY 19 1HA GLY 19 -3.918 2.499 11.591 127 HA3 GLY 19 2HA GLY 19 -2.882 1.244 12.254 128 H VAL 20 H VAL 20 -3.046 2.088 8.849 129 HA VAL 20 HA VAL 20 -0.308 3.165 9.056 130 HB VAL 20 HB VAL 20 0.096 2.315 6.774 131 HG11 VAL 20 1HG1 VAL 20 0.311 0.970 9.083 132 HG12 VAL 20 2HG1 VAL 20 -0.773 -0.117 8.210 133 HG13 VAL 20 3HG1 VAL 20 0.799 0.300 7.527 134 HG21 VAL 20 1HG2 VAL 20 -2.448 0.739 7.051 135 HG22 VAL 20 2HG2 VAL 20 -2.382 2.282 6.200 136 HG23 VAL 20 3HG2 VAL 20 -1.418 0.919 5.631 137 H LEU 21 H LEU 21 -3.483 3.475 7.643 138 HA LEU 21 HA LEU 21 -2.651 5.988 6.353 139 HB2 LEU 21 1HB LEU 21 -3.558 4.297 4.827 140 HB3 LEU 21 2HB LEU 21 -5.044 4.247 5.773 141 HG LEU 21 HG LEU 21 -5.390 6.663 5.173 142 HD11 LEU 21 1HD1 LEU 21 -3.831 7.808 4.092 143 HD12 LEU 21 2HD1 LEU 21 -3.810 6.621 2.789 144 HD13 LEU 21 3HD1 LEU 21 -2.768 6.404 4.195 145 HD21 LEU 21 1HD2 LEU 21 -5.484 4.366 3.302 146 HD22 LEU 21 2HD2 LEU 21 -5.772 5.972 2.630 147 HD23 LEU 21 3HD2 LEU 21 -6.789 5.367 3.939 148 H GLU 22 H GLU 22 -3.791 7.865 6.732 149 HA GLU 22 HA GLU 22 -5.088 8.075 9.255 150 HB2 GLU 22 1HB GLU 22 -4.425 9.946 7.031 151 HB3 GLU 22 2HB GLU 22 -5.643 10.448 8.195 152 HG2 GLU 22 1HG GLU 22 -2.786 9.704 8.764 153 HG3 GLU 22 2HG GLU 22 -3.519 11.304 8.876 154 H SER 23 H SER 23 -7.232 9.324 9.404 155 HA SER 23 HA SER 23 -9.147 8.227 7.452 156 HB2 SER 23 1HB SER 23 -9.198 6.985 9.613 157 HB3 SER 23 2HB SER 23 -9.611 8.491 10.432 158 HG SER 23 HG SER 23 -11.142 6.955 8.646 159 HA PRO 24 HA PRO 24 -9.674 12.796 7.570 160 HB2 PRO 24 1HB PRO 24 -10.243 13.007 4.924 161 HB3 PRO 24 2HB PRO 24 -8.591 12.978 5.552 162 HG2 PRO 24 1HG PRO 24 -10.196 10.761 4.341 163 HG3 PRO 24 2HG PRO 24 -8.495 11.184 4.076 164 HD2 PRO 24 1HD PRO 24 -9.255 9.166 5.713 165 HD3 PRO 24 2HD PRO 24 -7.803 10.142 6.012 166 H LYS 25 H LYS 25 -11.574 13.449 8.338 167 HA LYS 25 HA LYS 25 -13.970 12.120 8.277 168 HB2 LYS 25 1HB LYS 25 -13.546 14.026 9.743 169 HB3 LYS 25 2HB LYS 25 -13.535 15.111 8.359 170 HG2 LYS 25 1HG LYS 25 -15.654 15.452 9.116 171 HG3 LYS 25 2HG LYS 25 -15.947 14.126 7.988 172 HD2 LYS 25 1HD LYS 25 -16.325 12.610 9.657 173 HD3 LYS 25 2HD LYS 25 -15.265 13.439 10.799 174 HE2 LYS 25 1HE LYS 25 -17.378 13.836 11.670 175 HE3 LYS 25 2HE LYS 25 -17.052 15.302 10.747 176 HZ1 LYS 25 1HZ LYS 25 -19.306 14.360 10.409 177 HZ2 LYS 25 2HZ LYS 25 -18.599 13.000 9.694 178 HZ3 LYS 25 3HZ LYS 25 -18.417 14.522 8.978 179 H LYS 26 H LYS 26 -12.869 14.629 6.017 180 HA LYS 26 HA LYS 26 -15.083 14.960 4.451 181 HB2 LYS 26 1HB LYS 26 -12.176 14.837 3.656 182 HB3 LYS 26 2HB LYS 26 -13.448 15.307 2.536 183 HG2 LYS 26 1HG LYS 26 -14.054 17.160 4.033 184 HG3 LYS 26 2HG LYS 26 -12.728 16.704 5.105 185 HD2 LYS 26 1HD LYS 26 -11.106 17.184 3.404 186 HD3 LYS 26 2HD LYS 26 -12.374 17.437 2.201 187 HE2 LYS 26 1HE LYS 26 -12.928 19.497 3.019 188 HE3 LYS 26 2HE LYS 26 -12.444 19.094 4.666 189 HZ1 LYS 26 1HZ LYS 26 -10.086 19.060 3.653 190 HZ2 LYS 26 2HZ LYS 26 -10.808 20.549 4.001 191 HZ3 LYS 26 3HZ LYS 26 -10.773 19.979 2.409 192 H THR 27 H THR 27 -15.284 14.145 2.098 193 HA THR 27 HA THR 27 -15.118 11.204 2.155 194 HB THR 27 HB THR 27 -16.979 12.599 0.288 195 HG1 THR 27 1HG THR 27 -18.515 12.817 1.924 196 HG21 THR 27 1HG2 THR 27 -16.717 10.155 0.237 197 HG22 THR 27 2HG2 THR 27 -18.350 10.625 0.709 198 HG23 THR 27 3HG2 THR 27 -17.203 10.074 1.930 199 H ILE 28 H ILE 28 -13.520 10.469 0.923 200 HA ILE 28 HA ILE 28 -12.356 11.988 -1.194 201 HB ILE 28 HB ILE 28 -11.974 9.066 -0.528 202 HG12 ILE 28 1HG1 ILE 28 -10.015 11.209 0.181 203 HG13 ILE 28 2HG1 ILE 28 -11.437 11.000 1.195 204 HG21 ILE 28 1HG2 ILE 28 -9.657 9.826 -1.640 205 HG22 ILE 28 2HG2 ILE 28 -10.992 9.138 -2.564 206 HG23 ILE 28 3HG2 ILE 28 -10.763 10.886 -2.514 207 HD11 ILE 28 1HD1 ILE 28 -9.159 9.135 0.726 208 HD12 ILE 28 2HD1 ILE 28 -9.870 9.683 2.244 209 HD13 ILE 28 3HD1 ILE 28 -10.727 8.512 1.241 210 H CYS 29 H CYS 29 -13.912 12.396 -2.748 211 HA CYS 29 HA CYS 29 -15.630 10.458 -3.860 212 HB2 CYS 29 1HB CYS 29 -14.629 13.082 -4.981 213 HB3 CYS 29 2HB CYS 29 -15.903 12.117 -5.717 214 HG CYS 29 HG CYS 29 -16.874 14.406 -4.256 215 H ASP 30 H ASP 30 -12.393 11.537 -4.715 216 HA ASP 30 HA ASP 30 -12.309 9.451 -6.795 217 HB2 ASP 30 1HB ASP 30 -11.990 11.974 -7.398 218 HB3 ASP 30 2HB ASP 30 -10.379 11.746 -6.723 219 HA PRO 31 HA PRO 31 -9.482 7.961 -3.509 220 HB2 PRO 31 1HB PRO 31 -9.932 5.334 -4.028 221 HB3 PRO 31 2HB PRO 31 -10.986 6.303 -2.991 222 HG2 PRO 31 1HG PRO 31 -11.336 5.542 -5.865 223 HG3 PRO 31 2HG PRO 31 -12.534 5.556 -4.558 224 HD2 PRO 31 1HD PRO 31 -12.360 7.537 -6.396 225 HD3 PRO 31 2HD PRO 31 -12.871 7.830 -4.721 226 H GLU 32 H GLU 32 -9.816 6.996 -6.887 227 HA GLU 32 HA GLU 32 -7.564 5.526 -7.335 228 HB2 GLU 32 1HB GLU 32 -9.253 6.113 -9.055 229 HB3 GLU 32 2HB GLU 32 -8.575 7.733 -9.137 230 HG2 GLU 32 1HG GLU 32 -6.510 6.901 -9.999 231 HG3 GLU 32 2HG GLU 32 -7.013 5.233 -9.730 232 H GLU 33 H GLU 33 -7.738 9.084 -7.445 233 HA GLU 33 HA GLU 33 -4.943 9.429 -7.807 234 HB2 GLU 33 1HB GLU 33 -7.190 11.267 -7.029 235 HB3 GLU 33 2HB GLU 33 -5.522 11.824 -7.011 236 HG2 GLU 33 1HG GLU 33 -6.288 12.474 -9.095 237 HG3 GLU 33 2HG GLU 33 -5.422 10.975 -9.429 238 H PHE 34 H PHE 34 -7.049 9.895 -4.971 239 HA PHE 34 HA PHE 34 -5.250 10.682 -3.090 240 HB2 PHE 34 1HB PHE 34 -7.674 10.363 -2.681 241 HB3 PHE 34 2HB PHE 34 -7.419 8.621 -2.645 242 HD1 PHE 34 2HD PHE 34 -6.391 11.773 -0.969 243 HD2 PHE 34 1HD PHE 34 -6.891 7.558 -0.652 244 HE1 PHE 34 2HE PHE 34 -5.908 11.900 1.440 245 HE2 PHE 34 1HE PHE 34 -6.409 7.678 1.757 246 HZ PHE 34 HZ PHE 34 -5.916 9.851 2.806 247 H LEU 35 H LEU 35 -6.128 7.252 -3.539 248 HA LEU 35 HA LEU 35 -4.252 6.080 -1.948 249 HB2 LEU 35 1HB LEU 35 -5.547 5.246 -4.498 250 HB3 LEU 35 2HB LEU 35 -4.255 4.247 -3.835 251 HG LEU 35 HG LEU 35 -6.671 4.997 -2.212 252 HD11 LEU 35 1HD1 LEU 35 -7.927 3.772 -3.580 253 HD12 LEU 35 2HD1 LEU 35 -7.014 2.375 -3.010 254 HD13 LEU 35 3HD1 LEU 35 -6.525 3.204 -4.487 255 HD21 LEU 35 1HD2 LEU 35 -4.846 4.162 -0.917 256 HD22 LEU 35 2HD2 LEU 35 -4.585 2.829 -2.041 257 HD23 LEU 35 3HD2 LEU 35 -6.045 2.875 -1.051 258 H LYS 36 H LYS 36 -3.805 6.642 -5.445 259 HA LYS 36 HA LYS 36 -1.172 5.875 -5.666 260 HB2 LYS 36 1HB LYS 36 -2.490 8.183 -7.108 261 HB3 LYS 36 2HB LYS 36 -1.042 7.333 -7.631 262 HG2 LYS 36 1HG LYS 36 -2.202 5.491 -8.326 263 HG3 LYS 36 2HG LYS 36 -3.525 5.759 -7.188 264 HD2 LYS 36 1HD LYS 36 -4.517 6.324 -9.192 265 HD3 LYS 36 2HD LYS 36 -3.950 7.897 -8.625 266 HE2 LYS 36 1HE LYS 36 -3.187 7.943 -10.783 267 HE3 LYS 36 2HE LYS 36 -1.791 7.233 -9.974 268 HZ1 LYS 36 1HZ LYS 36 -3.288 5.072 -10.581 269 HZ2 LYS 36 2HZ LYS 36 -1.988 5.639 -11.502 270 HZ3 LYS 36 3HZ LYS 36 -3.570 6.073 -11.916 271 H SER 37 H SER 37 -2.464 8.984 -4.605 272 HA SER 37 HA SER 37 0.018 10.335 -4.464 273 HB2 SER 37 1HB SER 37 -2.701 10.808 -3.280 274 HB3 SER 37 2HB SER 37 -1.333 11.799 -2.774 275 HG SER 37 HG SER 37 -1.017 12.307 -5.006 276 H SER 38 H SER 38 -1.798 8.383 -2.165 277 HA SER 38 HA SER 38 -0.091 8.950 0.057 278 HB2 SER 38 1HB SER 38 -2.252 6.921 -0.465 279 HB3 SER 38 2HB SER 38 -1.271 6.845 0.999 280 HG SER 38 HG SER 38 -2.705 9.147 0.167 281 H LEU 39 H LEU 39 -0.604 5.944 -1.800 282 HA LEU 39 HA LEU 39 1.510 4.492 -0.767 283 HB2 LEU 39 1HB LEU 39 0.561 4.377 -3.623 284 HB3 LEU 39 2HB LEU 39 1.359 3.095 -2.715 285 HG LEU 39 HG LEU 39 -1.333 4.176 -1.924 286 HD11 LEU 39 1HD1 LEU 39 -1.091 3.191 -4.340 287 HD12 LEU 39 2HD1 LEU 39 -2.441 2.723 -3.307 288 HD13 LEU 39 3HD1 LEU 39 -1.050 1.652 -3.480 289 HD21 LEU 39 1HD2 LEU 39 0.343 2.627 -0.527 290 HD22 LEU 39 2HD2 LEU 39 -0.483 1.382 -1.464 291 HD23 LEU 39 3HD2 LEU 39 -1.411 2.473 -0.435 292 H LYS 40 H LYS 40 1.490 6.808 -3.430 293 HA LYS 40 HA LYS 40 3.817 6.527 -4.700 294 HB2 LYS 40 1HB LYS 40 2.435 8.438 -5.146 295 HB3 LYS 40 2HB LYS 40 2.715 9.086 -3.535 296 HG2 LYS 40 1HG LYS 40 5.185 9.183 -4.222 297 HG3 LYS 40 2HG LYS 40 4.586 8.984 -5.870 298 HD2 LYS 40 1HD LYS 40 3.075 10.956 -5.433 299 HD3 LYS 40 2HD LYS 40 3.970 11.209 -3.933 300 HE2 LYS 40 1HE LYS 40 5.117 12.600 -5.351 301 HE3 LYS 40 2HE LYS 40 6.050 11.115 -5.531 302 HZ1 LYS 40 1HZ LYS 40 5.700 11.776 -7.698 303 HZ2 LYS 40 2HZ LYS 40 4.131 12.333 -7.405 304 HZ3 LYS 40 3HZ LYS 40 4.439 10.671 -7.472 305 H ASN 41 H ASN 41 3.723 8.500 -1.726 306 HA ASN 41 HA ASN 41 6.335 8.909 -1.251 307 HB2 ASN 41 1HB ASN 41 4.072 8.304 0.612 308 HB3 ASN 41 2HB ASN 41 5.699 8.456 1.268 309 HD21 ASN 41 1HD2 ASN 41 5.377 10.324 2.374 310 HD22 ASN 41 2HD2 ASN 41 5.054 11.843 1.617 311 H GLY 42 H GLY 42 4.608 5.903 -0.476 312 HA2 GLY 42 1HA GLY 42 5.631 3.762 -0.755 313 HA3 GLY 42 2HA GLY 42 7.199 4.515 -0.504 314 H VAL 43 H VAL 43 6.505 6.000 1.831 315 HA VAL 43 HA VAL 43 7.149 4.213 3.839 316 HB VAL 43 HB VAL 43 7.434 6.576 4.187 317 HG11 VAL 43 1HG1 VAL 43 4.570 7.141 4.623 318 HG12 VAL 43 2HG1 VAL 43 5.842 8.165 3.954 319 HG13 VAL 43 3HG1 VAL 43 5.079 6.933 2.948 320 HG21 VAL 43 1HG2 VAL 43 7.242 5.384 6.221 321 HG22 VAL 43 2HG2 VAL 43 6.257 6.834 6.412 322 HG23 VAL 43 3HG2 VAL 43 5.487 5.282 6.081 323 H VAL 44 H VAL 44 3.948 5.376 2.855 324 HA VAL 44 HA VAL 44 2.391 4.250 4.841 325 HB VAL 44 HB VAL 44 1.778 4.632 1.913 326 HG11 VAL 44 1HG1 VAL 44 -0.556 4.290 2.430 327 HG12 VAL 44 2HG1 VAL 44 0.363 2.854 2.885 328 HG13 VAL 44 3HG1 VAL 44 -0.170 3.991 4.124 329 HG21 VAL 44 1HG2 VAL 44 1.787 6.765 2.610 330 HG22 VAL 44 2HG2 VAL 44 0.228 6.368 3.332 331 HG23 VAL 44 3HG2 VAL 44 1.694 6.313 4.312 332 H LEU 45 H LEU 45 3.567 2.759 1.847 333 HA LEU 45 HA LEU 45 2.244 0.287 2.188 334 HB2 LEU 45 1HB LEU 45 4.656 1.129 0.612 335 HB3 LEU 45 2HB LEU 45 4.085 -0.538 0.618 336 HG LEU 45 HG LEU 45 2.164 1.622 -0.104 337 HD11 LEU 45 1HD1 LEU 45 4.140 2.196 -1.397 338 HD12 LEU 45 2HD1 LEU 45 2.889 1.519 -2.439 339 HD13 LEU 45 3HD1 LEU 45 4.270 0.531 -1.965 340 HD21 LEU 45 1HD2 LEU 45 1.937 -1.055 0.090 341 HD22 LEU 45 2HD2 LEU 45 2.397 -0.903 -1.606 342 HD23 LEU 45 3HD2 LEU 45 0.967 -0.065 -1.001 343 H CYS 46 H CYS 46 5.482 1.405 3.086 344 HA CYS 46 HA CYS 46 6.516 -1.014 4.009 345 HB2 CYS 46 1HB CYS 46 7.094 1.862 4.556 346 HB3 CYS 46 2HB CYS 46 7.809 0.656 5.619 347 HG CYS 46 HG CYS 46 8.519 1.368 2.404 348 H LYS 47 H LYS 47 4.443 1.345 5.589 349 HA LYS 47 HA LYS 47 4.613 0.233 8.195 350 HB2 LYS 47 1HB LYS 47 2.436 1.927 6.955 351 HB3 LYS 47 2HB LYS 47 2.614 1.596 8.673 352 HG2 LYS 47 1HG LYS 47 5.013 2.609 8.273 353 HG3 LYS 47 2HG LYS 47 4.201 3.379 6.908 354 HD2 LYS 47 1HD LYS 47 2.593 4.403 8.362 355 HD3 LYS 47 2HD LYS 47 3.195 3.491 9.748 356 HE2 LYS 47 1HE LYS 47 4.276 5.463 10.108 357 HE3 LYS 47 2HE LYS 47 5.465 4.675 9.072 358 HZ1 LYS 47 1HZ LYS 47 3.654 6.896 8.469 359 HZ2 LYS 47 2HZ LYS 47 4.056 5.838 7.212 360 HZ3 LYS 47 3HZ LYS 47 5.274 6.676 8.034 361 H LEU 48 H LEU 48 2.583 -0.396 5.410 362 HA LEU 48 HA LEU 48 0.588 -1.914 6.690 363 HB2 LEU 48 1HB LEU 48 0.199 -1.113 4.487 364 HB3 LEU 48 2HB LEU 48 1.639 -1.921 3.871 365 HG LEU 48 HG LEU 48 0.556 -4.095 4.205 366 HD11 LEU 48 1HD1 LEU 48 -0.880 -3.433 6.095 367 HD12 LEU 48 2HD1 LEU 48 -1.774 -4.255 4.816 368 HD13 LEU 48 3HD1 LEU 48 -1.883 -2.502 4.982 369 HD21 LEU 48 1HD2 LEU 48 -0.029 -3.782 2.086 370 HD22 LEU 48 2HD2 LEU 48 -0.251 -2.052 2.346 371 HD23 LEU 48 3HD2 LEU 48 -1.581 -3.170 2.657 372 H ILE 49 H ILE 49 3.016 -3.286 4.483 373 HA ILE 49 HA ILE 49 2.854 -5.900 5.149 374 HB ILE 49 HB ILE 49 4.370 -5.051 3.416 375 HG12 ILE 49 1HG1 ILE 49 6.403 -6.529 4.119 376 HG13 ILE 49 2HG1 ILE 49 5.420 -6.909 5.528 377 HG21 ILE 49 1HG2 ILE 49 5.330 -3.152 4.504 378 HG22 ILE 49 2HG2 ILE 49 6.042 -4.165 5.758 379 HG23 ILE 49 3HG2 ILE 49 6.638 -4.264 4.102 380 HD11 ILE 49 1HD1 ILE 49 4.687 -7.390 2.651 381 HD12 ILE 49 2HD1 ILE 49 5.144 -8.605 3.846 382 HD13 ILE 49 3HD1 ILE 49 3.638 -7.706 4.032 383 H ASN 50 H ASN 50 4.528 -3.401 6.985 384 HA ASN 50 HA ASN 50 5.848 -5.065 8.819 385 HB2 ASN 50 1HB ASN 50 5.035 -2.202 8.752 386 HB3 ASN 50 2HB ASN 50 5.476 -2.883 10.316 387 HD21 ASN 50 1HD2 ASN 50 6.716 -0.975 8.233 388 HD22 ASN 50 2HD2 ASN 50 8.356 -1.513 8.143 389 H ARG 51 H ARG 51 2.642 -3.554 8.935 390 HA ARG 51 HA ARG 51 1.969 -4.483 11.520 391 HB2 ARG 51 1HB ARG 51 0.832 -2.607 10.323 392 HB3 ARG 51 2HB ARG 51 0.085 -3.793 9.261 393 HG2 ARG 51 1HG ARG 51 -1.582 -3.447 10.791 394 HG3 ARG 51 2HG ARG 51 -0.759 -4.841 11.495 395 HD2 ARG 51 1HD ARG 51 0.635 -3.039 12.752 396 HD3 ARG 51 2HD ARG 51 -0.714 -1.977 12.352 397 HE ARG 51 HE ARG 51 -2.009 -3.085 13.891 398 HH11 ARG 51 1HH1 ARG 51 0.904 -4.897 13.296 399 HH12 ARG 51 2HH1 ARG 51 0.634 -6.008 14.598 400 HH21 ARG 51 1HH2 ARG 51 -2.375 -4.541 15.609 401 HH22 ARG 51 2HH2 ARG 51 -1.232 -5.805 15.912 402 H LEU 52 H LEU 52 1.542 -5.824 8.291 403 HA LEU 52 HA LEU 52 -0.135 -7.978 9.051 404 HB2 LEU 52 1HB LEU 52 1.750 -7.868 6.705 405 HB3 LEU 52 2HB LEU 52 0.327 -8.893 6.879 406 HG LEU 52 HG LEU 52 0.302 -5.887 6.607 407 HD11 LEU 52 1HD1 LEU 52 0.788 -7.718 4.636 408 HD12 LEU 52 2HD1 LEU 52 0.096 -6.114 4.395 409 HD13 LEU 52 3HD1 LEU 52 -0.961 -7.517 4.542 410 HD21 LEU 52 1HD2 LEU 52 -1.629 -6.317 7.774 411 HD22 LEU 52 2HD2 LEU 52 -1.809 -7.936 7.097 412 HD23 LEU 52 3HD2 LEU 52 -2.190 -6.522 6.114 413 H MET 53 H MET 53 3.351 -7.868 8.305 414 HA MET 53 HA MET 53 3.664 -10.325 9.901 415 HB2 MET 53 1HB MET 53 5.295 -9.377 7.539 416 HB3 MET 53 2HB MET 53 5.675 -10.789 8.516 417 HG2 MET 53 1HG MET 53 3.969 -12.028 7.647 418 HG3 MET 53 2HG MET 53 2.981 -10.615 7.283 419 HE1 MET 53 1HE MET 53 5.762 -13.107 5.377 420 HE2 MET 53 2HE MET 53 6.788 -11.705 5.077 421 HE3 MET 53 3HE MET 53 6.322 -12.121 6.727 422 HA PRO 54 HA PRO 54 6.052 -7.737 12.603 423 HB2 PRO 54 1HB PRO 54 6.942 -9.723 14.226 424 HB3 PRO 54 2HB PRO 54 5.295 -9.087 14.301 425 HG2 PRO 54 1HG PRO 54 6.309 -11.564 12.961 426 HG3 PRO 54 2HG PRO 54 4.843 -11.338 13.933 427 HD2 PRO 54 1HD PRO 54 4.803 -11.389 11.226 428 HD3 PRO 54 2HD PRO 54 3.672 -10.407 12.179 429 H GLY 55 H GLY 55 7.818 -6.958 11.546 430 HA2 GLY 55 1HA GLY 55 10.188 -6.898 11.455 431 HA3 GLY 55 2HA GLY 55 10.211 -8.650 11.589 432 H SER 56 H SER 56 8.471 -6.499 9.355 433 HA SER 56 HA SER 56 9.339 -8.146 7.128 434 HB2 SER 56 1HB SER 56 7.422 -5.821 7.342 435 HB3 SER 56 2HB SER 56 7.838 -6.582 5.807 436 HG SER 56 HG SER 56 7.010 -8.227 7.907 437 H VAL 57 H VAL 57 9.244 -4.622 7.687 438 HA VAL 57 HA VAL 57 11.564 -4.337 5.917 439 HB VAL 57 HB VAL 57 9.714 -2.214 7.015 440 HG11 VAL 57 1HG1 VAL 57 11.353 -1.624 4.660 441 HG12 VAL 57 2HG1 VAL 57 11.006 -0.635 6.080 442 HG13 VAL 57 3HG1 VAL 57 12.272 -1.861 6.145 443 HG21 VAL 57 1HG2 VAL 57 9.573 -2.433 4.198 444 HG22 VAL 57 2HG2 VAL 57 9.394 -4.056 4.864 445 HG23 VAL 57 3HG2 VAL 57 8.311 -2.765 5.384 446 H GLU 58 H GLU 58 13.499 -4.243 6.830 447 HA GLU 58 HA GLU 58 14.086 -4.133 9.508 448 HB2 GLU 58 1HB GLU 58 15.647 -3.429 7.055 449 HB3 GLU 58 2HB GLU 58 16.340 -3.097 8.637 450 HG2 GLU 58 1HG GLU 58 15.311 -5.804 7.844 451 HG3 GLU 58 2HG GLU 58 16.976 -5.289 7.577 452 H LYS 59 H LYS 59 13.909 -1.416 7.235 453 HA LYS 59 HA LYS 59 12.977 0.399 9.179 454 HB2 LYS 59 1HB LYS 59 14.882 1.820 9.505 455 HB3 LYS 59 2HB LYS 59 15.349 0.181 9.941 456 HG2 LYS 59 1HG LYS 59 16.182 0.090 7.458 457 HG3 LYS 59 2HG LYS 59 16.203 1.847 7.629 458 HD2 LYS 59 1HD LYS 59 17.814 1.788 9.307 459 HD3 LYS 59 2HD LYS 59 17.486 0.097 9.695 460 HE2 LYS 59 1HE LYS 59 19.569 0.152 8.558 461 HE3 LYS 59 2HE LYS 59 18.383 -0.489 7.422 462 HZ1 LYS 59 1HZ LYS 59 18.941 2.395 7.433 463 HZ2 LYS 59 2HZ LYS 59 18.431 1.406 6.160 464 HZ3 LYS 59 3HZ LYS 59 20.039 1.349 6.682 465 H PHE 60 H PHE 60 11.860 1.889 8.105 466 HA PHE 60 HA PHE 60 12.689 2.539 5.353 467 HB2 PHE 60 1HB PHE 60 10.284 2.880 4.840 468 HB3 PHE 60 2HB PHE 60 10.652 1.221 5.301 469 HD1 PHE 60 2HD PHE 60 9.907 0.332 7.443 470 HD2 PHE 60 1HD PHE 60 8.915 4.286 6.218 471 HE1 PHE 60 2HE PHE 60 8.167 0.430 9.179 472 HE2 PHE 60 1HE PHE 60 7.174 4.390 7.953 473 HZ PHE 60 HZ PHE 60 6.797 2.460 9.436 474 H CYS 61 H CYS 61 11.593 4.666 4.618 475 HA CYS 61 HA CYS 61 12.294 6.678 6.601 476 HB2 CYS 61 1HB CYS 61 12.937 6.582 4.029 477 HB3 CYS 61 2HB CYS 61 11.388 7.397 3.849 478 HG CYS 61 HG CYS 61 12.084 9.734 4.784 479 H LEU 62 H LEU 62 10.708 7.180 7.978 480 HA LEU 62 HA LEU 62 7.960 6.906 7.487 481 HB2 LEU 62 1HB LEU 62 9.517 8.492 9.508 482 HB3 LEU 62 2HB LEU 62 7.755 8.484 9.480 483 HG LEU 62 HG LEU 62 9.436 6.002 9.800 484 HD11 LEU 62 1HD1 LEU 62 7.933 7.175 12.070 485 HD12 LEU 62 2HD1 LEU 62 9.469 7.920 11.631 486 HD13 LEU 62 3HD1 LEU 62 9.410 6.211 12.062 487 HD21 LEU 62 1HD2 LEU 62 6.705 6.082 10.834 488 HD22 LEU 62 2HD2 LEU 62 7.519 4.850 9.869 489 HD23 LEU 62 3HD2 LEU 62 6.808 6.261 9.082 490 H ASP 63 H ASP 63 10.105 9.709 7.247 491 HA ASP 63 HA ASP 63 8.015 11.070 5.688 492 HB2 ASP 63 1HB ASP 63 8.803 13.230 6.688 493 HB3 ASP 63 2HB ASP 63 8.004 12.154 7.832 494 HA PRO 64 HA PRO 64 11.810 10.829 3.135 495 HB2 PRO 64 1HB PRO 64 10.463 10.657 0.784 496 HB3 PRO 64 2HB PRO 64 10.790 9.254 1.809 497 HG2 PRO 64 1HG PRO 64 8.290 10.884 1.570 498 HG3 PRO 64 2HG PRO 64 8.473 9.123 1.669 499 HD2 PRO 64 1HD PRO 64 7.771 10.636 3.801 500 HD3 PRO 64 2HD PRO 64 8.731 9.152 3.959 501 H GLN 65 H GLN 65 12.499 12.936 3.428 502 HA GLN 65 HA GLN 65 11.065 15.233 2.654 503 HB2 GLN 65 1HB GLN 65 13.935 14.674 3.305 504 HB3 GLN 65 2HB GLN 65 13.480 16.241 2.649 505 HG2 GLN 65 1HG GLN 65 12.561 14.981 5.215 506 HG3 GLN 65 2HG GLN 65 13.523 16.443 5.006 507 HE21 GLN 65 1HE2 GLN 65 12.487 18.293 4.051 508 HE22 GLN 65 2HE2 GLN 65 10.786 18.521 4.247 509 H THR 66 H THR 66 13.320 13.157 0.945 510 HA THR 66 HA THR 66 12.804 14.718 -1.503 511 HB THR 66 HB THR 66 15.012 14.034 -2.341 512 HG1 THR 66 1HG THR 66 15.439 12.169 -1.212 513 HG21 THR 66 1HG2 THR 66 15.114 15.395 0.355 514 HG22 THR 66 2HG2 THR 66 14.816 16.180 -1.196 515 HG23 THR 66 3HG2 THR 66 16.384 15.445 -0.866 516 H GLU 67 H GLU 67 13.265 13.339 -3.519 517 HA GLU 67 HA GLU 67 11.454 11.213 -3.594 518 HB2 GLU 67 1HB GLU 67 11.974 12.381 -5.616 519 HB3 GLU 67 2HB GLU 67 13.682 11.992 -5.473 520 HG2 GLU 67 1HG GLU 67 12.776 9.520 -5.577 521 HG3 GLU 67 2HG GLU 67 11.421 10.304 -6.388 522 H ALA 68 H ALA 68 15.014 11.133 -3.631 523 HA ALA 68 HA ALA 68 15.541 8.485 -3.812 524 HB1 ALA 68 1HB ALA 68 17.499 8.876 -2.324 525 HB2 ALA 68 2HB ALA 68 17.324 10.070 -3.611 526 HB3 ALA 68 3HB ALA 68 16.846 10.474 -1.963 527 H ASP 69 H ASP 69 14.387 10.171 -0.930 528 HA ASP 69 HA ASP 69 14.559 7.919 0.799 529 HB2 ASP 69 1HB ASP 69 13.308 10.624 0.933 530 HB3 ASP 69 2HB ASP 69 12.769 9.402 2.082 531 H CYS 70 H CYS 70 12.057 9.222 -1.294 532 HA CYS 70 HA CYS 70 9.939 7.603 -0.328 533 HB2 CYS 70 1HB CYS 70 10.391 9.208 -2.823 534 HB3 CYS 70 2HB CYS 70 8.993 8.146 -2.700 535 HG CYS 70 HG CYS 70 9.652 11.009 -1.010 536 H ILE 71 H ILE 71 11.859 7.354 -3.326 537 HA ILE 71 HA ILE 71 10.892 4.987 -4.305 538 HB ILE 71 HB ILE 71 13.770 5.901 -4.348 539 HG12 ILE 71 1HG1 ILE 71 12.364 7.580 -5.326 540 HG13 ILE 71 2HG1 ILE 71 13.130 6.703 -6.646 541 HG21 ILE 71 1HG2 ILE 71 12.615 3.464 -5.215 542 HG22 ILE 71 2HG2 ILE 71 13.038 4.400 -6.648 543 HG23 ILE 71 3HG2 ILE 71 14.269 4.035 -5.439 544 HD11 ILE 71 1HD1 ILE 71 11.038 5.350 -6.840 545 HD12 ILE 71 2HD1 ILE 71 10.299 6.453 -5.678 546 HD13 ILE 71 3HD1 ILE 71 10.864 7.060 -7.234 547 H ASN 72 H ASN 72 13.337 5.435 -1.792 548 HA ASN 72 HA ASN 72 14.141 2.775 -1.510 549 HB2 ASN 72 1HB ASN 72 14.034 5.071 0.443 550 HB3 ASN 72 2HB ASN 72 14.678 3.493 0.889 551 HD21 ASN 72 1HD2 ASN 72 16.293 5.624 1.085 552 HD22 ASN 72 2HD2 ASN 72 17.495 5.599 -0.155 553 H ASN 73 H ASN 73 11.474 4.542 0.007 554 HA ASN 73 HA ASN 73 10.638 2.530 1.770 555 HB2 ASN 73 1HB ASN 73 8.974 4.660 0.406 556 HB3 ASN 73 2HB ASN 73 8.482 3.726 1.816 557 HD21 ASN 73 1HD2 ASN 73 8.278 6.176 2.357 558 HD22 ASN 73 2HD2 ASN 73 9.620 6.834 3.224 559 H ILE 74 H ILE 74 9.526 3.300 -1.521 560 HA ILE 74 HA ILE 74 7.596 1.294 -1.740 561 HB ILE 74 HB ILE 74 9.313 2.433 -3.949 562 HG12 ILE 74 1HG1 ILE 74 6.533 3.297 -3.161 563 HG13 ILE 74 2HG1 ILE 74 7.973 4.053 -2.490 564 HG21 ILE 74 1HG2 ILE 74 6.892 0.696 -3.919 565 HG22 ILE 74 2HG2 ILE 74 7.091 1.869 -5.220 566 HG23 ILE 74 3HG2 ILE 74 8.316 0.628 -4.957 567 HD11 ILE 74 1HD1 ILE 74 8.680 4.685 -4.743 568 HD12 ILE 74 2HD1 ILE 74 7.218 3.948 -5.399 569 HD13 ILE 74 3HD1 ILE 74 7.098 5.348 -4.334 570 H ASN 75 H ASN 75 10.863 1.235 -3.182 571 HA ASN 75 HA ASN 75 10.915 -1.386 -3.993 572 HB2 ASN 75 1HB ASN 75 13.053 0.505 -3.084 573 HB3 ASN 75 2HB ASN 75 13.473 -1.171 -3.425 574 HD21 ASN 75 1HD2 ASN 75 13.503 1.770 -4.718 575 HD22 ASN 75 2HD2 ASN 75 13.312 1.389 -6.392 576 H ASP 76 H ASP 76 11.603 -0.094 -0.782 577 HA ASP 76 HA ASP 76 12.553 -2.447 0.405 578 HB2 ASP 76 1HB ASP 76 11.236 0.029 1.477 579 HB3 ASP 76 2HB ASP 76 11.594 -1.322 2.549 580 H PHE 77 H PHE 77 9.288 -1.037 0.715 581 HA PHE 77 HA PHE 77 7.983 -2.972 2.065 582 HB2 PHE 77 1HB PHE 77 6.632 -1.176 1.494 583 HB3 PHE 77 2HB PHE 77 7.117 -1.217 -0.198 584 HD1 PHE 77 1HD PHE 77 5.468 -3.531 2.227 585 HD2 PHE 77 2HD PHE 77 5.465 -1.804 -1.664 586 HE1 PHE 77 1HE PHE 77 3.421 -4.781 1.677 587 HE2 PHE 77 2HE PHE 77 3.419 -3.051 -2.219 588 HZ PHE 77 HZ PHE 77 2.393 -4.541 -0.548 589 H LEU 78 H LEU 78 8.841 -3.087 -1.357 590 HA LEU 78 HA LEU 78 7.456 -5.368 -2.117 591 HB2 LEU 78 1HB LEU 78 10.177 -4.441 -3.025 592 HB3 LEU 78 2HB LEU 78 9.181 -5.636 -3.855 593 HG LEU 78 HG LEU 78 8.335 -2.776 -3.421 594 HD11 LEU 78 1HD1 LEU 78 9.351 -3.877 -6.013 595 HD12 LEU 78 2HD1 LEU 78 10.450 -3.161 -4.835 596 HD13 LEU 78 3HD1 LEU 78 9.143 -2.197 -5.521 597 HD21 LEU 78 1HD2 LEU 78 7.258 -4.254 -5.680 598 HD22 LEU 78 2HD2 LEU 78 6.424 -3.329 -4.430 599 HD23 LEU 78 3HD2 LEU 78 6.877 -5.008 -4.131 600 H LYS 79 H LYS 79 10.624 -5.069 -0.572 601 HA LYS 79 HA LYS 79 11.687 -7.532 -0.678 602 HB2 LYS 79 1HB LYS 79 12.816 -7.092 1.312 603 HB3 LYS 79 2HB LYS 79 12.387 -5.484 0.742 604 HG2 LYS 79 1HG LYS 79 10.432 -5.513 2.255 605 HG3 LYS 79 2HG LYS 79 10.979 -7.072 2.878 606 HD2 LYS 79 1HD LYS 79 11.886 -5.629 4.426 607 HD3 LYS 79 2HD LYS 79 13.222 -5.786 3.284 608 HE2 LYS 79 1HE LYS 79 12.263 -3.719 2.140 609 HE3 LYS 79 2HE LYS 79 11.272 -3.518 3.584 610 HZ1 LYS 79 1HZ LYS 79 13.069 -2.275 4.156 611 HZ2 LYS 79 2HZ LYS 79 14.160 -3.199 3.252 612 HZ3 LYS 79 3HZ LYS 79 13.600 -3.771 4.742 613 H GLY 80 H GLY 80 9.014 -6.609 1.474 614 HA2 GLY 80 1HA GLY 80 8.741 -9.294 2.498 615 HA3 GLY 80 2HA GLY 80 7.692 -7.929 2.850 616 H CYS 81 H CYS 81 7.183 -7.330 0.043 617 HA CYS 81 HA CYS 81 4.842 -8.744 -0.355 618 HB2 CYS 81 1HB CYS 81 4.638 -7.607 -2.354 619 HB3 CYS 81 2HB CYS 81 5.813 -6.596 -1.521 620 HG CYS 81 HG CYS 81 7.962 -8.135 -2.847 621 H ALA 82 H ALA 82 8.096 -9.461 -1.492 622 HA ALA 82 HA ALA 82 7.531 -11.484 -3.316 623 HB1 ALA 82 1HB ALA 82 9.890 -12.240 -1.992 624 HB2 ALA 82 2HB ALA 82 9.737 -11.330 -3.496 625 HB3 ALA 82 3HB ALA 82 9.843 -10.477 -1.955 626 H THR 83 H THR 83 7.857 -11.622 0.198 627 HA THR 83 HA THR 83 7.910 -14.348 0.614 628 HB THR 83 HB THR 83 6.422 -12.315 2.288 629 HG1 THR 83 1HG THR 83 9.133 -13.125 2.159 630 HG21 THR 83 1HG2 THR 83 7.317 -14.137 4.044 631 HG22 THR 83 2HG2 THR 83 7.066 -15.182 2.646 632 HG23 THR 83 3HG2 THR 83 5.727 -14.232 3.289 633 H LEU 84 H LEU 84 5.122 -12.268 -0.009 634 HA LEU 84 HA LEU 84 3.216 -14.390 0.316 635 HB2 LEU 84 1HB LEU 84 2.901 -11.676 -0.958 636 HB3 LEU 84 2HB LEU 84 1.590 -12.770 -0.523 637 HG LEU 84 HG LEU 84 3.464 -11.795 1.592 638 HD11 LEU 84 1HD1 LEU 84 2.880 -9.742 0.572 639 HD12 LEU 84 2HD1 LEU 84 1.823 -9.923 1.971 640 HD13 LEU 84 3HD1 LEU 84 1.205 -10.245 0.351 641 HD21 LEU 84 1HD2 LEU 84 1.778 -12.367 3.051 642 HD22 LEU 84 2HD2 LEU 84 1.577 -13.586 1.793 643 HD23 LEU 84 3HD2 LEU 84 0.514 -12.179 1.836 644 H GLN 85 H GLN 85 5.331 -13.461 -2.146 645 HA GLN 85 HA GLN 85 5.533 -13.975 -4.360 646 HB2 GLN 85 1HB GLN 85 4.042 -16.417 -3.386 647 HB3 GLN 85 2HB GLN 85 4.846 -16.299 -4.946 648 HG2 GLN 85 1HG GLN 85 6.953 -16.341 -4.018 649 HG3 GLN 85 2HG GLN 85 6.386 -15.774 -2.448 650 HE21 GLN 85 1HE2 GLN 85 7.594 -18.359 -3.999 651 HE22 GLN 85 2HE2 GLN 85 6.949 -19.631 -3.025 652 H VAL 86 H VAL 86 3.635 -12.145 -4.167 653 HA VAL 86 HA VAL 86 1.474 -13.117 -5.922 654 HB VAL 86 HB VAL 86 0.045 -11.321 -5.020 655 HG11 VAL 86 1HG1 VAL 86 -0.154 -13.545 -4.089 656 HG12 VAL 86 2HG1 VAL 86 1.158 -13.218 -2.956 657 HG13 VAL 86 3HG1 VAL 86 -0.368 -12.345 -2.815 658 HG21 VAL 86 1HG2 VAL 86 2.536 -10.646 -3.607 659 HG22 VAL 86 2HG2 VAL 86 1.202 -9.610 -4.114 660 HG23 VAL 86 3HG2 VAL 86 1.067 -10.561 -2.635 661 H GLU 87 H GLU 87 0.416 -11.072 -7.038 662 HA GLU 87 HA GLU 87 2.214 -10.130 -8.929 663 HB2 GLU 87 1HB GLU 87 0.467 -8.572 -9.613 664 HB3 GLU 87 2HB GLU 87 -0.220 -10.151 -9.258 665 HG2 GLU 87 1HG GLU 87 -0.576 -9.062 -6.878 666 HG3 GLU 87 2HG GLU 87 -0.534 -7.575 -7.824 667 H ILE 88 H ILE 88 3.614 -8.484 -9.031 668 HA ILE 88 HA ILE 88 3.552 -6.475 -6.875 669 HB ILE 88 HB ILE 88 6.019 -6.384 -6.982 670 HG12 ILE 88 1HG1 ILE 88 6.065 -9.003 -8.417 671 HG13 ILE 88 2HG1 ILE 88 5.894 -7.533 -9.369 672 HG21 ILE 88 1HG2 ILE 88 4.843 -9.083 -6.333 673 HG22 ILE 88 2HG2 ILE 88 6.428 -8.518 -5.808 674 HG23 ILE 88 3HG2 ILE 88 4.971 -7.698 -5.249 675 HD11 ILE 88 1HD1 ILE 88 7.994 -7.134 -7.509 676 HD12 ILE 88 2HD1 ILE 88 8.244 -8.686 -8.309 677 HD13 ILE 88 3HD1 ILE 88 8.074 -7.217 -9.269 678 H PHE 89 H PHE 89 5.303 -4.670 -7.601 679 HA PHE 89 HA PHE 89 4.995 -4.028 -10.426 680 HB2 PHE 89 1HB PHE 89 4.187 -1.713 -9.833 681 HB3 PHE 89 2HB PHE 89 3.019 -3.001 -9.558 682 HD1 PHE 89 1HD PHE 89 5.431 -0.756 -7.889 683 HD2 PHE 89 2HD PHE 89 2.138 -3.411 -7.416 684 HE1 PHE 89 1HE PHE 89 5.175 -0.017 -5.556 685 HE2 PHE 89 2HE PHE 89 1.876 -2.676 -5.083 686 HZ PHE 89 HZ PHE 89 3.395 -0.977 -4.150 687 H ASP 90 H ASP 90 5.997 -1.618 -10.655 688 HA ASP 90 HA ASP 90 8.658 -1.837 -9.435 689 HB2 ASP 90 1HB ASP 90 7.643 -0.788 -12.031 690 HB3 ASP 90 2HB ASP 90 9.068 -0.017 -11.340 691 HA PRO 91 HA PRO 91 8.244 1.842 -7.085 692 HB2 PRO 91 1HB PRO 91 10.702 2.965 -7.336 693 HB3 PRO 91 2HB PRO 91 10.403 1.513 -6.373 694 HG2 PRO 91 1HG PRO 91 11.494 1.754 -9.151 695 HG3 PRO 91 2HG PRO 91 12.035 0.710 -7.823 696 HD2 PRO 91 1HD PRO 91 10.482 -0.195 -9.848 697 HD3 PRO 91 2HD PRO 91 10.372 -0.841 -8.198 698 H ASP 92 H ASP 92 8.779 1.979 -10.433 699 HA ASP 92 HA ASP 92 8.608 4.894 -10.550 700 HB2 ASP 92 1HB ASP 92 8.721 3.065 -12.936 701 HB3 ASP 92 2HB ASP 92 9.244 4.742 -12.808 702 H ASP 93 H ASP 93 6.750 2.012 -11.290 703 HA ASP 93 HA ASP 93 4.678 3.242 -12.750 704 HB2 ASP 93 1HB ASP 93 4.640 0.739 -11.051 705 HB3 ASP 93 2HB ASP 93 3.361 1.215 -12.165 706 H LEU 94 H LEU 94 5.084 2.604 -9.293 707 HA LEU 94 HA LEU 94 2.514 3.624 -8.571 708 HB2 LEU 94 1HB LEU 94 3.504 2.042 -7.115 709 HB3 LEU 94 2HB LEU 94 4.996 2.974 -7.004 710 HG LEU 94 HG LEU 94 3.827 4.688 -5.704 711 HD11 LEU 94 1HD1 LEU 94 1.462 3.055 -5.178 712 HD12 LEU 94 2HD1 LEU 94 1.542 3.693 -6.819 713 HD13 LEU 94 3HD1 LEU 94 1.609 4.792 -5.442 714 HD21 LEU 94 1HD2 LEU 94 4.808 3.285 -4.212 715 HD22 LEU 94 2HD2 LEU 94 3.977 1.859 -4.834 716 HD23 LEU 94 3HD2 LEU 94 3.124 2.988 -3.781 717 H TYR 95 H TYR 95 5.817 4.877 -8.069 718 HA TYR 95 HA TYR 95 5.166 7.342 -7.010 719 HB2 TYR 95 1HB TYR 95 7.482 6.227 -7.406 720 HB3 TYR 95 2HB TYR 95 7.440 7.064 -8.954 721 HD1 TYR 95 1HD TYR 95 7.470 9.525 -9.036 722 HD2 TYR 95 2HD TYR 95 7.839 7.423 -5.355 723 HE1 TYR 95 1HE TYR 95 8.311 11.570 -7.959 724 HE2 TYR 95 2HE TYR 95 8.681 9.462 -4.268 725 HH TYR 95 HH TYR 95 9.758 12.128 -5.946 726 H SER 96 H SER 96 5.833 6.631 -10.443 727 HA SER 96 HA SER 96 4.973 9.209 -11.315 728 HB2 SER 96 1HB SER 96 5.426 6.666 -12.896 729 HB3 SER 96 2HB SER 96 5.209 8.273 -13.589 730 HG SER 96 HG SER 96 7.090 8.772 -12.071 731 H GLY 97 H GLY 97 3.535 5.961 -11.413 732 HA2 GLY 97 1HA GLY 97 1.223 5.546 -11.105 733 HA3 GLY 97 2HA GLY 97 0.890 7.212 -11.554 734 H VAL 98 H VAL 98 2.772 4.698 -13.219 735 HA VAL 98 HA VAL 98 1.384 5.308 -15.691 736 HB VAL 98 HB VAL 98 3.608 3.341 -15.129 737 HG11 VAL 98 1HG1 VAL 98 3.818 3.682 -17.730 738 HG12 VAL 98 2HG1 VAL 98 2.714 2.480 -17.056 739 HG13 VAL 98 3HG1 VAL 98 2.096 4.042 -17.597 740 HG21 VAL 98 1HG2 VAL 98 3.772 6.052 -15.096 741 HG22 VAL 98 2HG2 VAL 98 5.101 4.975 -15.526 742 HG23 VAL 98 3HG2 VAL 98 4.115 5.707 -16.792 743 H ASN 99 H ASN 99 1.996 2.383 -13.744 744 HA ASN 99 HA ASN 99 -0.468 1.234 -14.881 745 HB2 ASN 99 1HB ASN 99 2.212 0.018 -14.372 746 HB3 ASN 99 2HB ASN 99 0.783 -0.995 -14.185 747 HD21 ASN 99 1HD2 ASN 99 2.535 -1.725 -16.042 748 HD22 ASN 99 2HD2 ASN 99 1.943 -1.392 -17.631 749 H PHE 100 H PHE 100 -0.705 2.814 -12.689 750 HA PHE 100 HA PHE 100 -0.366 1.852 -10.167 751 HB2 PHE 100 1HB PHE 100 -1.379 4.004 -10.513 752 HB3 PHE 100 2HB PHE 100 -2.768 3.279 -11.317 753 HD1 PHE 100 2HD PHE 100 -0.999 2.631 -8.093 754 HD2 PHE 100 1HD PHE 100 -4.669 3.503 -10.064 755 HE1 PHE 100 2HE PHE 100 -2.180 2.516 -5.938 756 HE2 PHE 100 1HE PHE 100 -5.856 3.390 -7.912 757 HZ PHE 100 HZ PHE 100 -4.612 2.895 -5.845 758 H SER 101 H SER 101 -2.910 0.924 -12.444 759 HA SER 101 HA SER 101 -4.628 -0.555 -11.015 760 HB2 SER 101 1HB SER 101 -4.492 -0.337 -13.552 761 HB3 SER 101 2HB SER 101 -3.383 -1.708 -13.513 762 HG SER 101 HG SER 101 -6.085 -1.638 -12.658 763 H LYS 102 H LYS 102 -1.347 -1.545 -11.859 764 HA LYS 102 HA LYS 102 -1.488 -4.176 -10.867 765 HB2 LYS 102 1HB LYS 102 0.846 -2.292 -11.215 766 HB3 LYS 102 2HB LYS 102 1.027 -3.971 -10.725 767 HG2 LYS 102 1HG LYS 102 -0.026 -4.688 -12.817 768 HG3 LYS 102 2HG LYS 102 -0.177 -3.000 -13.310 769 HD2 LYS 102 1HD LYS 102 1.776 -3.557 -14.369 770 HD3 LYS 102 2HD LYS 102 2.415 -2.981 -12.828 771 HE2 LYS 102 1HE LYS 102 3.545 -4.981 -13.131 772 HE3 LYS 102 2HE LYS 102 2.201 -5.453 -12.093 773 HZ1 LYS 102 1HZ LYS 102 1.038 -6.331 -13.961 774 HZ2 LYS 102 2HZ LYS 102 2.601 -6.975 -13.986 775 HZ3 LYS 102 3HZ LYS 102 2.185 -5.726 -15.048 776 H VAL 103 H VAL 103 -0.294 -1.184 -9.350 777 HA VAL 103 HA VAL 103 0.506 -2.181 -6.910 778 HB VAL 103 HB VAL 103 -0.872 0.455 -7.440 779 HG11 VAL 103 1HG1 VAL 103 0.879 0.793 -5.333 780 HG12 VAL 103 2HG1 VAL 103 -0.878 0.675 -5.219 781 HG13 VAL 103 3HG1 VAL 103 0.120 -0.762 -4.995 782 HG21 VAL 103 1HG2 VAL 103 1.677 1.126 -7.186 783 HG22 VAL 103 2HG2 VAL 103 1.916 -0.526 -7.755 784 HG23 VAL 103 3HG2 VAL 103 1.002 0.621 -8.735 785 H LEU 104 H LEU 104 -2.753 -1.156 -7.878 786 HA LEU 104 HA LEU 104 -4.017 -1.538 -5.413 787 HB2 LEU 104 1HB LEU 104 -5.040 -0.344 -7.276 788 HB3 LEU 104 2HB LEU 104 -5.140 -1.845 -8.195 789 HG LEU 104 HG LEU 104 -6.683 -2.714 -6.407 790 HD11 LEU 104 1HD1 LEU 104 -7.653 -1.254 -4.836 791 HD12 LEU 104 2HD1 LEU 104 -6.932 0.167 -5.591 792 HD13 LEU 104 3HD1 LEU 104 -5.913 -0.982 -4.725 793 HD21 LEU 104 1HD2 LEU 104 -7.352 -0.395 -8.180 794 HD22 LEU 104 2HD2 LEU 104 -8.587 -1.141 -7.165 795 HD23 LEU 104 3HD2 LEU 104 -7.744 -2.103 -8.380 796 H SER 105 H SER 105 -3.786 -3.754 -8.194 797 HA SER 105 HA SER 105 -5.124 -5.909 -7.003 798 HB2 SER 105 1HB SER 105 -4.106 -7.286 -8.755 799 HB3 SER 105 2HB SER 105 -4.672 -5.757 -9.425 800 HG SER 105 HG SER 105 -2.011 -6.490 -8.782 801 H THR 106 H THR 106 -1.753 -4.919 -6.914 802 HA THR 106 HA THR 106 -0.615 -7.220 -5.824 803 HB THR 106 HB THR 106 0.177 -4.340 -5.346 804 HG1 THR 106 1HG THR 106 1.021 -6.279 -7.260 805 HG21 THR 106 1HG2 THR 106 2.476 -5.590 -5.082 806 HG22 THR 106 2HG2 THR 106 1.443 -6.943 -4.619 807 HG23 THR 106 3HG2 THR 106 1.377 -5.432 -3.713 808 H LEU 107 H LEU 107 -1.838 -4.332 -4.127 809 HA LEU 107 HA LEU 107 -1.427 -5.343 -1.528 810 HB2 LEU 107 1HB LEU 107 -3.330 -3.243 -2.550 811 HB3 LEU 107 2HB LEU 107 -3.040 -3.570 -0.842 812 HG LEU 107 HG LEU 107 -0.913 -2.655 -2.775 813 HD11 LEU 107 1HD1 LEU 107 -1.162 -0.499 -1.416 814 HD12 LEU 107 2HD1 LEU 107 -2.748 -1.123 -0.964 815 HD13 LEU 107 3HD1 LEU 107 -2.366 -0.833 -2.661 816 HD21 LEU 107 1HD2 LEU 107 -0.233 -3.943 -0.719 817 HD22 LEU 107 2HD2 LEU 107 -0.907 -2.621 0.235 818 HD23 LEU 107 3HD2 LEU 107 0.443 -2.320 -0.860 819 H LEU 108 H LEU 108 -4.056 -5.667 -3.809 820 HA LEU 108 HA LEU 108 -6.049 -6.582 -2.053 821 HB2 LEU 108 1HB LEU 108 -5.547 -6.749 -4.972 822 HB3 LEU 108 2HB LEU 108 -6.739 -7.850 -4.286 823 HG LEU 108 HG LEU 108 -6.855 -4.854 -3.975 824 HD11 LEU 108 1HD1 LEU 108 -8.881 -5.948 -5.680 825 HD12 LEU 108 2HD1 LEU 108 -7.284 -6.343 -6.313 826 HD13 LEU 108 3HD1 LEU 108 -7.719 -4.662 -6.006 827 HD21 LEU 108 1HD2 LEU 108 -8.034 -6.497 -2.358 828 HD22 LEU 108 2HD2 LEU 108 -9.128 -6.783 -3.712 829 HD23 LEU 108 3HD2 LEU 108 -8.955 -5.158 -3.046 830 H ALA 109 H ALA 109 -3.721 -8.394 -4.044 831 HA ALA 109 HA ALA 109 -4.500 -10.963 -3.261 832 HB1 ALA 109 1HB ALA 109 -2.972 -10.358 -5.164 833 HB2 ALA 109 2HB ALA 109 -1.688 -10.158 -3.971 834 HB3 ALA 109 3HB ALA 109 -2.454 -11.732 -4.186 835 H VAL 110 H VAL 110 -2.129 -8.742 -1.850 836 HA VAL 110 HA VAL 110 -0.995 -10.420 0.047 837 HB VAL 110 HB VAL 110 -1.573 -7.464 0.294 838 HG11 VAL 110 1HG1 VAL 110 0.745 -8.252 1.726 839 HG12 VAL 110 2HG1 VAL 110 -0.749 -7.554 2.353 840 HG13 VAL 110 3HG1 VAL 110 -0.581 -9.305 2.218 841 HG21 VAL 110 1HG2 VAL 110 0.497 -9.047 -1.089 842 HG22 VAL 110 2HG2 VAL 110 -0.137 -7.442 -1.452 843 HG23 VAL 110 3HG2 VAL 110 1.069 -7.647 -0.183 844 H ASN 111 H ASN 111 -3.748 -8.196 0.502 845 HA ASN 111 HA ASN 111 -4.385 -8.773 3.107 846 HB2 ASN 111 1HB ASN 111 -5.651 -7.055 2.199 847 HB3 ASN 111 2HB ASN 111 -6.031 -7.965 0.740 848 HD21 ASN 111 1HD2 ASN 111 -6.866 -7.362 4.045 849 HD22 ASN 111 2HD2 ASN 111 -8.380 -8.194 4.031 850 H LYS 112 H LYS 112 -5.512 -10.488 0.204 851 HA LYS 112 HA LYS 112 -7.183 -12.340 1.404 852 HB2 LYS 112 1HB LYS 112 -6.727 -11.929 -1.089 853 HB3 LYS 112 2HB LYS 112 -5.377 -13.040 -0.902 854 HG2 LYS 112 1HG LYS 112 -7.180 -14.308 -1.737 855 HG3 LYS 112 2HG LYS 112 -7.028 -14.727 -0.029 856 HD2 LYS 112 1HD LYS 112 -8.880 -13.308 0.541 857 HD3 LYS 112 2HD LYS 112 -8.962 -12.678 -1.105 858 HE2 LYS 112 1HE LYS 112 -10.640 -14.242 -1.161 859 HE3 LYS 112 2HE LYS 112 -9.276 -15.205 -1.725 860 HZ1 LYS 112 1HZ LYS 112 -10.223 -15.113 1.088 861 HZ2 LYS 112 2HZ LYS 112 -9.009 -16.113 0.466 862 HZ3 LYS 112 3HZ LYS 112 -10.615 -16.332 -0.018 863 H ALA 113 H ALA 113 -3.676 -12.447 0.976 864 HA ALA 113 HA ALA 113 -3.342 -15.078 1.994 865 HB1 ALA 113 1HB ALA 113 -1.372 -14.702 1.039 866 HB2 ALA 113 2HB ALA 113 -1.655 -12.961 1.004 867 HB3 ALA 113 3HB ALA 113 -0.954 -13.712 2.437 868 H THR 114 H THR 114 -3.245 -11.863 3.446 869 HA THR 114 HA THR 114 -2.586 -12.965 6.057 870 HB THR 114 HB THR 114 -2.573 -10.634 6.833 871 HG1 THR 114 1HG THR 114 -3.710 -10.225 4.306 872 HG21 THR 114 1HG2 THR 114 -1.041 -11.173 4.289 873 HG22 THR 114 2HG2 THR 114 -0.503 -11.452 5.946 874 HG23 THR 114 3HG2 THR 114 -0.724 -9.805 5.356 875 H GLU 115 H GLU 115 -5.227 -13.342 4.547 876 HA GLU 115 HA GLU 115 -7.255 -11.975 5.947 877 HB2 GLU 115 1HB GLU 115 -7.130 -14.404 4.225 878 HB3 GLU 115 2HB GLU 115 -8.569 -14.165 5.206 879 HG2 GLU 115 1HG GLU 115 -7.537 -11.973 3.457 880 HG3 GLU 115 2HG GLU 115 -8.531 -13.269 2.794 881 H SER 116 H SER 116 -8.486 -12.525 7.718 882 HA SER 116 HA SER 116 -8.777 -13.276 9.855 883 HB2 SER 116 1HB SER 116 -8.415 -15.809 8.266 884 HB3 SER 116 2HB SER 116 -8.758 -15.854 9.995 885 HG SER 116 HG SER 116 -10.668 -15.946 8.739 886 H GLY 117 H GLY 117 -6.249 -12.275 9.531 887 HA2 GLY 117 1HA GLY 117 -4.516 -14.214 10.923 888 HA3 GLY 117 2HA GLY 117 -3.935 -12.857 9.970 889 HA PRO 118 HA PRO 118 -5.583 -11.276 14.277 890 HB2 PRO 118 1HB PRO 118 -5.376 -13.129 16.251 891 HB3 PRO 118 2HB PRO 118 -6.845 -12.906 15.293 892 HG2 PRO 118 1HG PRO 118 -4.681 -14.953 14.993 893 HG3 PRO 118 2HG PRO 118 -6.439 -15.160 14.893 894 HD2 PRO 118 1HD PRO 118 -4.866 -14.989 12.697 895 HD3 PRO 118 2HD PRO 118 -6.534 -14.384 12.725 896 H SER 119 H SER 119 -3.795 -10.017 14.435 897 HA SER 119 HA SER 119 -1.161 -10.993 14.784 898 HB2 SER 119 1HB SER 119 -2.416 -8.271 15.099 899 HB3 SER 119 2HB SER 119 -0.710 -8.547 15.451 900 HG SER 119 HG SER 119 -1.851 -8.149 13.091 901 H SER 120 H SER 120 -3.414 -9.427 17.055 902 HA SER 120 HA SER 120 -1.681 -9.993 19.297 903 HB2 SER 120 1HB SER 120 -3.302 -8.808 20.631 904 HB3 SER 120 2HB SER 120 -3.071 -7.908 19.132 905 HG SER 120 HG SER 120 -4.987 -9.414 18.498 906 H GLY 121 H GLY 121 -1.585 -11.983 20.103 907 HA2 GLY 121 1HA GLY 121 -4.116 -13.411 20.569 908 HA3 GLY 121 2HA GLY 121 -2.791 -14.240 19.766 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -20.905 2.801 0.874 2 HA2 GLY 1 1HA GLY 1 -18.835 1.253 0.294 3 HA3 GLY 1 2HA GLY 1 -19.701 0.194 1.397 4 H SER 2 H SER 2 -19.768 1.768 -1.724 5 HA SER 2 HA SER 2 -22.294 0.689 -2.520 6 HB2 SER 2 1HB SER 2 -21.265 2.761 -3.495 7 HB3 SER 2 2HB SER 2 -20.082 1.731 -4.302 8 HG SER 2 HG SER 2 -22.439 2.389 -5.193 9 H SER 3 H SER 3 -22.720 -1.308 -3.165 10 HA SER 3 HA SER 3 -20.954 -3.411 -3.172 11 HB2 SER 3 1HB SER 3 -23.480 -3.534 -3.242 12 HB3 SER 3 2HB SER 3 -23.372 -3.264 -4.982 13 HG SER 3 HG SER 3 -22.606 -5.490 -3.467 14 H GLY 4 H GLY 4 -20.099 -4.728 -4.916 15 HA2 GLY 4 1HA GLY 4 -18.928 -5.045 -6.868 16 HA3 GLY 4 2HA GLY 4 -19.934 -3.797 -7.587 17 H SER 5 H SER 5 -17.703 -3.549 -4.845 18 HA SER 5 HA SER 5 -16.535 -1.169 -5.929 19 HB2 SER 5 1HB SER 5 -16.861 -1.926 -3.422 20 HB3 SER 5 2HB SER 5 -15.278 -2.665 -3.660 21 HG SER 5 HG SER 5 -14.877 -0.626 -2.956 22 H SER 6 H SER 6 -14.795 -0.970 -7.179 23 HA SER 6 HA SER 6 -13.576 -3.126 -8.444 24 HB2 SER 6 1HB SER 6 -13.547 -0.829 -9.337 25 HB3 SER 6 2HB SER 6 -12.450 -0.343 -8.044 26 HG SER 6 HG SER 6 -11.708 -2.522 -9.617 27 H GLY 7 H GLY 7 -12.245 -1.068 -5.850 28 HA2 GLY 7 1HA GLY 7 -11.172 -2.986 -4.243 29 HA3 GLY 7 2HA GLY 7 -9.962 -2.786 -5.501 30 H GLU 8 H GLU 8 -10.379 0.029 -5.888 31 HA GLU 8 HA GLU 8 -8.499 1.164 -4.308 32 HB2 GLU 8 1HB GLU 8 -11.000 2.543 -5.299 33 HB3 GLU 8 2HB GLU 8 -9.528 3.352 -4.781 34 HG2 GLU 8 1HG GLU 8 -9.236 3.361 -7.040 35 HG3 GLU 8 2HG GLU 8 -8.421 1.856 -6.620 36 H GLU 9 H GLU 9 -11.988 1.571 -3.662 37 HA GLU 9 HA GLU 9 -11.732 2.746 -1.157 38 HB2 GLU 9 1HB GLU 9 -13.826 2.526 -2.580 39 HB3 GLU 9 2HB GLU 9 -13.984 0.898 -1.935 40 HG2 GLU 9 1HG GLU 9 -15.390 2.281 -0.644 41 HG3 GLU 9 2HG GLU 9 -13.988 1.912 0.358 42 H GLN 10 H GLN 10 -12.156 -0.687 -1.977 43 HA GLN 10 HA GLN 10 -12.315 -1.789 0.528 44 HB2 GLN 10 1HB GLN 10 -11.064 -2.779 -2.015 45 HB3 GLN 10 2HB GLN 10 -11.004 -3.753 -0.552 46 HG2 GLN 10 1HG GLN 10 -13.631 -2.679 -1.426 47 HG3 GLN 10 2HG GLN 10 -12.930 -4.028 -2.319 48 HE21 GLN 10 1HE2 GLN 10 -12.114 -5.835 -0.880 49 HE22 GLN 10 2HE2 GLN 10 -13.139 -6.293 0.433 50 H ILE 11 H ILE 11 -9.384 -0.863 -1.234 51 HA ILE 11 HA ILE 11 -7.578 -1.780 0.762 52 HB ILE 11 HB ILE 11 -7.123 0.300 -1.380 53 HG12 ILE 11 1HG1 ILE 11 -7.851 -1.867 -2.295 54 HG13 ILE 11 2HG1 ILE 11 -6.169 -1.534 -2.690 55 HG21 ILE 11 1HG2 ILE 11 -4.801 -1.206 -0.667 56 HG22 ILE 11 2HG2 ILE 11 -5.066 0.535 -0.584 57 HG23 ILE 11 3HG2 ILE 11 -5.504 -0.489 0.783 58 HD11 ILE 11 1HD1 ILE 11 -7.325 -3.731 -1.216 59 HD12 ILE 11 2HD1 ILE 11 -5.720 -3.565 -1.930 60 HD13 ILE 11 3HD1 ILE 11 -6.035 -2.938 -0.312 61 H VAL 12 H VAL 12 -8.885 1.424 -0.045 62 HA VAL 12 HA VAL 12 -7.505 3.000 1.733 63 HB VAL 12 HB VAL 12 -10.420 3.218 0.971 64 HG11 VAL 12 1HG1 VAL 12 -8.741 4.823 2.747 65 HG12 VAL 12 2HG1 VAL 12 -9.547 5.758 1.485 66 HG13 VAL 12 3HG1 VAL 12 -10.496 4.764 2.590 67 HG21 VAL 12 1HG2 VAL 12 -9.367 3.480 -1.034 68 HG22 VAL 12 2HG2 VAL 12 -9.245 5.136 -0.438 69 HG23 VAL 12 3HG2 VAL 12 -7.866 4.045 -0.300 70 H THR 13 H THR 13 -10.663 1.464 2.372 71 HA THR 13 HA THR 13 -10.745 2.138 5.103 72 HB THR 13 HB THR 13 -12.107 -0.192 3.737 73 HG1 THR 13 1HG THR 13 -13.372 2.253 4.315 74 HG21 THR 13 1HG2 THR 13 -12.069 -0.279 6.224 75 HG22 THR 13 2HG2 THR 13 -13.692 -0.109 5.554 76 HG23 THR 13 3HG2 THR 13 -12.875 1.288 6.254 77 H TRP 14 H TRP 14 -9.445 -0.651 3.396 78 HA TRP 14 HA TRP 14 -9.021 -2.344 5.579 79 HB2 TRP 14 1HB TRP 14 -8.801 -3.175 3.324 80 HB3 TRP 14 2HB TRP 14 -7.477 -2.061 2.996 81 HD1 TRP 14 HD TRP 14 -7.831 -4.403 6.060 82 HE1 TRP 14 1HE TRP 14 -5.774 -5.949 6.120 83 HE3 TRP 14 3HE TRP 14 -5.585 -2.933 1.709 84 HZ2 TRP 14 2HZ TRP 14 -3.500 -6.475 4.532 85 HZ3 TRP 14 3HZ TRP 14 -3.471 -4.007 1.052 86 HH2 TRP 14 HH TRP 14 -2.452 -5.741 2.435 87 H LEU 15 H LEU 15 -6.556 -0.339 3.950 88 HA LEU 15 HA LEU 15 -4.488 -0.636 5.703 89 HB2 LEU 15 1HB LEU 15 -5.290 1.932 4.345 90 HB3 LEU 15 2HB LEU 15 -3.694 1.563 4.993 91 HG LEU 15 HG LEU 15 -4.958 -0.024 2.769 92 HD11 LEU 15 1HD1 LEU 15 -4.584 1.638 1.355 93 HD12 LEU 15 2HD1 LEU 15 -2.878 1.625 1.801 94 HD13 LEU 15 3HD1 LEU 15 -4.009 2.659 2.674 95 HD21 LEU 15 1HD2 LEU 15 -2.952 -0.800 4.269 96 HD22 LEU 15 2HD2 LEU 15 -2.034 0.304 3.245 97 HD23 LEU 15 3HD2 LEU 15 -2.917 -1.042 2.522 98 H ILE 16 H ILE 16 -6.717 2.150 5.836 99 HA ILE 16 HA ILE 16 -5.936 3.216 8.235 100 HB ILE 16 HB ILE 16 -8.765 3.049 7.189 101 HG12 ILE 16 1HG1 ILE 16 -6.853 5.365 6.943 102 HG13 ILE 16 2HG1 ILE 16 -6.924 4.090 5.731 103 HG21 ILE 16 1HG2 ILE 16 -9.114 3.754 9.339 104 HG22 ILE 16 2HG2 ILE 16 -7.529 4.516 9.464 105 HG23 ILE 16 3HG2 ILE 16 -8.814 5.301 8.547 106 HD11 ILE 16 1HD1 ILE 16 -8.942 6.170 6.414 107 HD12 ILE 16 2HD1 ILE 16 -8.320 5.675 4.839 108 HD13 ILE 16 3HD1 ILE 16 -9.464 4.644 5.700 109 H SER 17 H SER 17 -8.557 0.836 7.795 110 HA SER 17 HA SER 17 -9.381 0.433 10.340 111 HB2 SER 17 1HB SER 17 -10.291 -0.793 8.409 112 HB3 SER 17 2HB SER 17 -8.820 -1.763 8.330 113 HG SER 17 HG SER 17 -9.343 -2.709 10.254 114 H LEU 18 H LEU 18 -6.474 -0.973 8.878 115 HA LEU 18 HA LEU 18 -5.707 -2.458 11.171 116 HB2 LEU 18 1HB LEU 18 -4.277 -1.553 8.697 117 HB3 LEU 18 2HB LEU 18 -3.418 -2.380 9.994 118 HG LEU 18 HG LEU 18 -5.803 -3.564 8.586 119 HD11 LEU 18 1HD1 LEU 18 -3.848 -4.992 7.562 120 HD12 LEU 18 2HD1 LEU 18 -2.926 -3.513 7.828 121 HD13 LEU 18 3HD1 LEU 18 -4.366 -3.483 6.810 122 HD21 LEU 18 1HD2 LEU 18 -3.604 -4.960 10.085 123 HD22 LEU 18 2HD2 LEU 18 -5.183 -5.587 9.609 124 HD23 LEU 18 3HD2 LEU 18 -5.063 -4.373 10.883 125 H GLY 19 H GLY 19 -4.809 0.738 9.928 126 HA2 GLY 19 1HA GLY 19 -4.461 2.500 11.594 127 HA3 GLY 19 2HA GLY 19 -3.618 1.307 12.571 128 H VAL 20 H VAL 20 -3.294 1.898 9.097 129 HA VAL 20 HA VAL 20 -0.514 2.750 9.585 130 HB VAL 20 HB VAL 20 0.085 1.674 7.422 131 HG11 VAL 20 1HG1 VAL 20 -1.068 -0.477 9.132 132 HG12 VAL 20 2HG1 VAL 20 0.529 -0.359 8.389 133 HG13 VAL 20 3HG1 VAL 20 0.147 0.601 9.818 134 HG21 VAL 20 1HG2 VAL 20 -1.379 0.199 6.301 135 HG22 VAL 20 2HG2 VAL 20 -2.555 0.243 7.614 136 HG23 VAL 20 3HG2 VAL 20 -2.315 1.664 6.598 137 H LEU 21 H LEU 21 -3.476 3.221 7.853 138 HA LEU 21 HA LEU 21 -2.268 5.450 6.358 139 HB2 LEU 21 1HB LEU 21 -3.311 3.710 4.979 140 HB3 LEU 21 2HB LEU 21 -4.836 3.962 5.825 141 HG LEU 21 HG LEU 21 -4.767 6.341 4.937 142 HD11 LEU 21 1HD1 LEU 21 -3.134 5.549 2.664 143 HD12 LEU 21 2HD1 LEU 21 -2.220 5.651 4.169 144 HD13 LEU 21 3HD1 LEU 21 -3.133 7.047 3.596 145 HD21 LEU 21 1HD2 LEU 21 -4.898 4.551 2.592 146 HD22 LEU 21 2HD2 LEU 21 -6.081 5.703 3.212 147 HD23 LEU 21 3HD2 LEU 21 -5.913 4.119 3.969 148 H GLU 22 H GLU 22 -3.165 7.485 6.458 149 HA GLU 22 HA GLU 22 -4.429 8.238 8.849 150 HB2 GLU 22 1HB GLU 22 -3.759 9.599 6.287 151 HB3 GLU 22 2HB GLU 22 -4.918 10.386 7.350 152 HG2 GLU 22 1HG GLU 22 -3.367 10.755 9.000 153 HG3 GLU 22 2HG GLU 22 -2.335 9.425 8.476 154 H SER 23 H SER 23 -6.525 8.978 9.278 155 HA SER 23 HA SER 23 -8.564 7.906 7.448 156 HB2 SER 23 1HB SER 23 -10.033 7.741 9.391 157 HB3 SER 23 2HB SER 23 -8.514 6.906 9.714 158 HG SER 23 HG SER 23 -9.049 9.574 10.511 159 HA PRO 24 HA PRO 24 -9.031 12.480 7.102 160 HB2 PRO 24 1HB PRO 24 -9.666 12.429 4.463 161 HB3 PRO 24 2HB PRO 24 -7.999 12.452 5.049 162 HG2 PRO 24 1HG PRO 24 -9.645 10.135 4.108 163 HG3 PRO 24 2HG PRO 24 -7.949 10.518 3.759 164 HD2 PRO 24 1HD PRO 24 -8.677 8.680 5.609 165 HD3 PRO 24 2HD PRO 24 -7.213 9.671 5.772 166 H LYS 25 H LYS 25 -10.939 13.713 6.221 167 HA LYS 25 HA LYS 25 -13.404 12.154 6.639 168 HB2 LYS 25 1HB LYS 25 -12.741 15.028 7.268 169 HB3 LYS 25 2HB LYS 25 -14.392 14.423 7.248 170 HG2 LYS 25 1HG LYS 25 -13.909 14.209 9.463 171 HG3 LYS 25 2HG LYS 25 -13.405 12.620 8.885 172 HD2 LYS 25 1HD LYS 25 -11.553 13.182 10.096 173 HD3 LYS 25 2HD LYS 25 -11.102 13.883 8.540 174 HE2 LYS 25 1HE LYS 25 -12.505 15.426 10.712 175 HE3 LYS 25 2HE LYS 25 -10.751 15.363 10.548 176 HZ1 LYS 25 1HZ LYS 25 -11.508 17.312 9.462 177 HZ2 LYS 25 2HZ LYS 25 -12.700 16.471 8.607 178 HZ3 LYS 25 3HZ LYS 25 -11.066 16.223 8.245 179 H LYS 26 H LYS 26 -12.247 15.087 4.968 180 HA LYS 26 HA LYS 26 -14.215 15.711 3.284 181 HB2 LYS 26 1HB LYS 26 -11.272 15.475 2.740 182 HB3 LYS 26 2HB LYS 26 -12.371 16.008 1.475 183 HG2 LYS 26 1HG LYS 26 -13.078 17.881 2.825 184 HG3 LYS 26 2HG LYS 26 -12.081 17.321 4.170 185 HD2 LYS 26 1HD LYS 26 -10.761 18.964 3.193 186 HD3 LYS 26 2HD LYS 26 -10.129 17.478 2.480 187 HE2 LYS 26 1HE LYS 26 -11.808 17.928 0.583 188 HE3 LYS 26 2HE LYS 26 -11.899 19.560 1.242 189 HZ1 LYS 26 1HZ LYS 26 -9.532 19.804 0.921 190 HZ2 LYS 26 2HZ LYS 26 -10.263 19.375 -0.542 191 HZ3 LYS 26 3HZ LYS 26 -9.405 18.218 0.345 192 H THR 27 H THR 27 -15.510 14.685 1.921 193 HA THR 27 HA THR 27 -15.617 12.047 1.369 194 HB THR 27 HB THR 27 -16.510 12.966 -1.024 195 HG1 THR 27 1HG THR 27 -16.005 15.107 -0.717 196 HG21 THR 27 1HG2 THR 27 -17.668 12.553 1.643 197 HG22 THR 27 2HG2 THR 27 -18.190 11.942 0.073 198 HG23 THR 27 3HG2 THR 27 -18.630 13.574 0.575 199 H ILE 28 H ILE 28 -14.204 10.663 0.547 200 HA ILE 28 HA ILE 28 -12.045 11.563 -1.148 201 HB ILE 28 HB ILE 28 -12.678 8.717 -0.384 202 HG12 ILE 28 1HG1 ILE 28 -10.817 10.570 1.100 203 HG13 ILE 28 2HG1 ILE 28 -12.494 10.336 1.579 204 HG21 ILE 28 1HG2 ILE 28 -10.063 8.721 -0.541 205 HG22 ILE 28 2HG2 ILE 28 -11.049 8.584 -1.996 206 HG23 ILE 28 3HG2 ILE 28 -10.335 10.136 -1.557 207 HD11 ILE 28 1HD1 ILE 28 -12.116 8.253 2.381 208 HD12 ILE 28 2HD1 ILE 28 -10.832 7.916 1.220 209 HD13 ILE 28 3HD1 ILE 28 -10.508 8.936 2.622 210 H CYS 29 H CYS 29 -14.612 11.871 -2.317 211 HA CYS 29 HA CYS 29 -15.728 10.097 -3.939 212 HB2 CYS 29 1HB CYS 29 -15.899 12.702 -3.933 213 HB3 CYS 29 2HB CYS 29 -14.737 12.606 -5.250 214 HG CYS 29 HG CYS 29 -16.401 11.981 -7.115 215 H ASP 30 H ASP 30 -12.556 11.545 -4.586 216 HA ASP 30 HA ASP 30 -12.130 9.530 -6.688 217 HB2 ASP 30 1HB ASP 30 -10.421 11.972 -6.264 218 HB3 ASP 30 2HB ASP 30 -10.587 10.988 -7.716 219 HA PRO 31 HA PRO 31 -9.528 8.060 -3.183 220 HB2 PRO 31 1HB PRO 31 -9.924 5.427 -3.716 221 HB3 PRO 31 2HB PRO 31 -11.042 6.389 -2.741 222 HG2 PRO 31 1HG PRO 31 -11.229 5.615 -5.627 223 HG3 PRO 31 2HG PRO 31 -12.495 5.621 -4.386 224 HD2 PRO 31 1HD PRO 31 -12.243 7.598 -6.219 225 HD3 PRO 31 2HD PRO 31 -12.846 7.891 -4.575 226 H GLU 32 H GLU 32 -9.666 7.105 -6.575 227 HA GLU 32 HA GLU 32 -7.359 5.659 -6.872 228 HB2 GLU 32 1HB GLU 32 -9.029 6.217 -8.665 229 HB3 GLU 32 2HB GLU 32 -8.270 7.797 -8.801 230 HG2 GLU 32 1HG GLU 32 -6.234 6.847 -9.564 231 HG3 GLU 32 2HG GLU 32 -6.780 5.216 -9.179 232 H GLU 33 H GLU 33 -7.682 9.187 -6.776 233 HA GLU 33 HA GLU 33 -4.871 9.637 -7.133 234 HB2 GLU 33 1HB GLU 33 -7.237 11.368 -6.520 235 HB3 GLU 33 2HB GLU 33 -5.614 12.008 -6.302 236 HG2 GLU 33 1HG GLU 33 -6.429 10.729 -8.880 237 HG3 GLU 33 2HG GLU 33 -6.818 12.413 -8.533 238 H PHE 34 H PHE 34 -7.119 9.881 -4.390 239 HA PHE 34 HA PHE 34 -5.420 10.773 -2.428 240 HB2 PHE 34 1HB PHE 34 -7.738 10.512 -1.922 241 HB3 PHE 34 2HB PHE 34 -7.686 8.787 -2.268 242 HD1 PHE 34 2HD PHE 34 -5.670 11.083 -0.121 243 HD2 PHE 34 1HD PHE 34 -8.005 7.534 -0.381 244 HE1 PHE 34 2HE PHE 34 -5.233 10.625 2.256 245 HE2 PHE 34 1HE PHE 34 -7.573 7.071 1.996 246 HZ PHE 34 HZ PHE 34 -6.184 8.616 3.318 247 H LEU 35 H LEU 35 -5.983 7.384 -3.357 248 HA LEU 35 HA LEU 35 -4.120 6.274 -1.557 249 HB2 LEU 35 1HB LEU 35 -5.446 5.317 -4.059 250 HB3 LEU 35 2HB LEU 35 -4.163 4.360 -3.322 251 HG LEU 35 HG LEU 35 -6.526 5.211 -1.694 252 HD11 LEU 35 1HD1 LEU 35 -7.304 4.143 -3.839 253 HD12 LEU 35 2HD1 LEU 35 -7.785 3.320 -2.356 254 HD13 LEU 35 3HD1 LEU 35 -6.456 2.685 -3.325 255 HD21 LEU 35 1HD2 LEU 35 -4.368 4.105 -0.813 256 HD22 LEU 35 2HD2 LEU 35 -5.000 2.636 -1.556 257 HD23 LEU 35 3HD2 LEU 35 -5.924 3.455 -0.296 258 H LYS 36 H LYS 36 -3.828 6.673 -5.093 259 HA LYS 36 HA LYS 36 -1.239 5.953 -5.477 260 HB2 LYS 36 1HB LYS 36 -2.755 8.240 -6.736 261 HB3 LYS 36 2HB LYS 36 -1.181 7.702 -7.307 262 HG2 LYS 36 1HG LYS 36 -2.028 5.605 -7.973 263 HG3 LYS 36 2HG LYS 36 -3.542 5.857 -7.100 264 HD2 LYS 36 1HD LYS 36 -4.190 6.318 -9.261 265 HD3 LYS 36 2HD LYS 36 -3.763 7.930 -8.682 266 HE2 LYS 36 1HE LYS 36 -1.529 7.668 -9.690 267 HE3 LYS 36 2HE LYS 36 -2.012 6.090 -10.311 268 HZ1 LYS 36 1HZ LYS 36 -3.716 7.151 -11.631 269 HZ2 LYS 36 2HZ LYS 36 -2.211 7.836 -11.984 270 HZ3 LYS 36 3HZ LYS 36 -3.310 8.670 -11.005 271 H SER 37 H SER 37 -2.363 9.132 -4.370 272 HA SER 37 HA SER 37 0.134 10.394 -4.268 273 HB2 SER 37 1HB SER 37 -2.001 11.609 -4.092 274 HB3 SER 37 2HB SER 37 -2.285 10.882 -2.511 275 HG SER 37 HG SER 37 -1.013 12.315 -1.661 276 H SER 38 H SER 38 -1.521 8.326 -1.956 277 HA SER 38 HA SER 38 0.383 8.763 0.146 278 HB2 SER 38 1HB SER 38 -1.999 7.013 -0.257 279 HB3 SER 38 2HB SER 38 -0.834 6.549 0.983 280 HG SER 38 HG SER 38 -2.608 8.658 0.920 281 H LEU 39 H LEU 39 -0.418 5.889 -1.814 282 HA LEU 39 HA LEU 39 1.751 4.331 -1.012 283 HB2 LEU 39 1HB LEU 39 0.429 4.266 -3.717 284 HB3 LEU 39 2HB LEU 39 1.302 2.954 -2.928 285 HG LEU 39 HG LEU 39 -1.253 4.113 -1.833 286 HD11 LEU 39 1HD1 LEU 39 -2.320 2.070 -2.801 287 HD12 LEU 39 2HD1 LEU 39 -0.850 1.819 -3.741 288 HD13 LEU 39 3HD1 LEU 39 -1.818 3.272 -3.989 289 HD21 LEU 39 1HD2 LEU 39 0.384 2.776 -0.392 290 HD22 LEU 39 2HD2 LEU 39 -0.085 1.386 -1.371 291 HD23 LEU 39 3HD2 LEU 39 -1.298 2.248 -0.423 292 H LYS 40 H LYS 40 1.493 6.799 -3.485 293 HA LYS 40 HA LYS 40 3.552 6.474 -5.152 294 HB2 LYS 40 1HB LYS 40 2.316 8.503 -5.262 295 HB3 LYS 40 2HB LYS 40 2.799 8.969 -3.636 296 HG2 LYS 40 1HG LYS 40 4.938 9.573 -4.306 297 HG3 LYS 40 2HG LYS 40 4.839 8.635 -5.798 298 HD2 LYS 40 1HD LYS 40 3.517 10.221 -6.857 299 HD3 LYS 40 2HD LYS 40 2.975 10.931 -5.335 300 HE2 LYS 40 1HE LYS 40 5.853 11.052 -6.165 301 HE3 LYS 40 2HE LYS 40 4.684 12.226 -6.768 302 HZ1 LYS 40 1HZ LYS 40 4.396 11.970 -3.980 303 HZ2 LYS 40 2HZ LYS 40 4.838 13.335 -4.876 304 HZ3 LYS 40 3HZ LYS 40 6.025 12.258 -4.334 305 H ASN 41 H ASN 41 4.106 8.193 -2.073 306 HA ASN 41 HA ASN 41 6.856 8.200 -2.118 307 HB2 ASN 41 1HB ASN 41 5.387 7.744 0.463 308 HB3 ASN 41 2HB ASN 41 6.795 8.757 0.155 309 HD21 ASN 41 1HD2 ASN 41 4.748 9.790 1.556 310 HD22 ASN 41 2HD2 ASN 41 3.894 10.960 0.614 311 H GLY 42 H GLY 42 4.795 5.776 -0.497 312 HA2 GLY 42 1HA GLY 42 5.336 3.410 -0.866 313 HA3 GLY 42 2HA GLY 42 7.032 3.866 -0.786 314 H VAL 43 H VAL 43 6.118 5.758 1.492 315 HA VAL 43 HA VAL 43 6.959 4.139 3.622 316 HB VAL 43 HB VAL 43 7.207 6.510 3.810 317 HG11 VAL 43 1HG1 VAL 43 4.581 6.572 2.746 318 HG12 VAL 43 2HG1 VAL 43 4.556 7.417 4.294 319 HG13 VAL 43 3HG1 VAL 43 5.681 7.920 3.032 320 HG21 VAL 43 1HG2 VAL 43 5.260 5.327 5.768 321 HG22 VAL 43 2HG2 VAL 43 7.004 5.531 5.938 322 HG23 VAL 43 3HG2 VAL 43 5.943 6.939 5.981 323 H VAL 44 H VAL 44 3.766 4.888 2.380 324 HA VAL 44 HA VAL 44 2.244 3.955 4.555 325 HB VAL 44 HB VAL 44 1.517 3.989 1.623 326 HG11 VAL 44 1HG1 VAL 44 -0.778 4.325 3.145 327 HG12 VAL 44 2HG1 VAL 44 -0.305 2.875 2.257 328 HG13 VAL 44 3HG1 VAL 44 0.106 3.038 3.965 329 HG21 VAL 44 1HG2 VAL 44 0.948 6.167 1.817 330 HG22 VAL 44 2HG2 VAL 44 0.435 5.997 3.496 331 HG23 VAL 44 3HG2 VAL 44 2.150 6.142 3.107 332 H LEU 45 H LEU 45 3.454 2.316 1.655 333 HA LEU 45 HA LEU 45 2.219 -0.176 2.197 334 HB2 LEU 45 1HB LEU 45 4.638 0.498 0.532 335 HB3 LEU 45 2HB LEU 45 3.837 -1.071 0.546 336 HG LEU 45 HG LEU 45 2.246 1.351 -0.157 337 HD11 LEU 45 1HD1 LEU 45 3.905 -0.110 -2.191 338 HD12 LEU 45 2HD1 LEU 45 4.427 1.397 -1.440 339 HD13 LEU 45 3HD1 LEU 45 2.951 1.358 -2.404 340 HD21 LEU 45 1HD2 LEU 45 1.073 -0.257 -1.566 341 HD22 LEU 45 2HD2 LEU 45 1.148 -0.817 0.105 342 HD23 LEU 45 3HD2 LEU 45 2.225 -1.511 -1.108 343 H CYS 46 H CYS 46 5.281 1.260 3.118 344 HA CYS 46 HA CYS 46 6.532 -1.086 4.067 345 HB2 CYS 46 1HB CYS 46 6.926 1.828 4.755 346 HB3 CYS 46 2HB CYS 46 7.938 0.544 5.404 347 HG CYS 46 HG CYS 46 7.725 1.621 2.177 348 H LYS 47 H LYS 47 4.396 1.269 5.585 349 HA LYS 47 HA LYS 47 4.658 0.210 8.221 350 HB2 LYS 47 1HB LYS 47 2.656 2.057 6.929 351 HB3 LYS 47 2HB LYS 47 2.528 1.563 8.613 352 HG2 LYS 47 1HG LYS 47 4.741 2.527 9.051 353 HG3 LYS 47 2HG LYS 47 4.831 3.052 7.368 354 HD2 LYS 47 1HD LYS 47 2.787 4.402 7.722 355 HD3 LYS 47 2HD LYS 47 2.802 3.931 9.423 356 HE2 LYS 47 1HE LYS 47 4.630 5.227 9.906 357 HE3 LYS 47 2HE LYS 47 5.264 5.136 8.263 358 HZ1 LYS 47 1HZ LYS 47 4.219 7.000 7.712 359 HZ2 LYS 47 2HZ LYS 47 3.897 7.234 9.356 360 HZ3 LYS 47 3HZ LYS 47 2.748 6.482 8.368 361 H LEU 48 H LEU 48 2.756 -0.602 5.454 362 HA LEU 48 HA LEU 48 0.713 -2.032 6.860 363 HB2 LEU 48 1HB LEU 48 0.200 -1.173 4.698 364 HB3 LEU 48 2HB LEU 48 1.582 -1.998 3.979 365 HG LEU 48 HG LEU 48 0.443 -4.169 4.479 366 HD11 LEU 48 1HD1 LEU 48 -1.957 -4.119 4.949 367 HD12 LEU 48 2HD1 LEU 48 -1.884 -2.367 5.132 368 HD13 LEU 48 3HD1 LEU 48 -1.021 -3.407 6.265 369 HD21 LEU 48 1HD2 LEU 48 -0.149 -2.224 2.462 370 HD22 LEU 48 2HD2 LEU 48 -1.587 -3.187 2.801 371 HD23 LEU 48 3HD2 LEU 48 -0.083 -3.982 2.332 372 H ILE 49 H ILE 49 3.054 -3.325 4.508 373 HA ILE 49 HA ILE 49 2.909 -5.966 5.108 374 HB ILE 49 HB ILE 49 4.343 -4.978 3.328 375 HG12 ILE 49 1HG1 ILE 49 6.254 -6.653 3.668 376 HG13 ILE 49 2HG1 ILE 49 5.482 -7.050 5.199 377 HG21 ILE 49 1HG2 ILE 49 5.465 -3.512 5.303 378 HG22 ILE 49 2HG2 ILE 49 6.669 -4.785 5.114 379 HG23 ILE 49 3HG2 ILE 49 6.213 -3.792 3.731 380 HD11 ILE 49 1HD1 ILE 49 3.802 -8.176 4.209 381 HD12 ILE 49 2HD1 ILE 49 3.755 -7.101 2.811 382 HD13 ILE 49 3HD1 ILE 49 4.994 -8.351 2.921 383 H ASN 50 H ASN 50 4.357 -3.478 7.050 384 HA ASN 50 HA ASN 50 5.907 -5.172 8.727 385 HB2 ASN 50 1HB ASN 50 5.007 -2.333 8.797 386 HB3 ASN 50 2HB ASN 50 5.546 -3.056 10.310 387 HD21 ASN 50 1HD2 ASN 50 6.693 -0.950 8.543 388 HD22 ASN 50 2HD2 ASN 50 8.314 -1.464 8.236 389 H ARG 51 H ARG 51 2.632 -3.860 8.919 390 HA ARG 51 HA ARG 51 2.087 -4.850 11.529 391 HB2 ARG 51 1HB ARG 51 0.850 -2.983 10.404 392 HB3 ARG 51 2HB ARG 51 0.098 -4.179 9.356 393 HG2 ARG 51 1HG ARG 51 -1.477 -3.761 11.031 394 HG3 ARG 51 2HG ARG 51 -0.730 -5.294 11.485 395 HD2 ARG 51 1HD ARG 51 0.797 -4.010 12.991 396 HD3 ARG 51 2HD ARG 51 -0.151 -2.568 12.630 397 HE ARG 51 HE ARG 51 -2.027 -4.291 13.489 398 HH11 ARG 51 1HH1 ARG 51 1.052 -3.329 14.798 399 HH12 ARG 51 2HH1 ARG 51 0.572 -3.565 16.446 400 HH21 ARG 51 1HH2 ARG 51 -2.672 -4.604 15.654 401 HH22 ARG 51 2HH2 ARG 51 -1.546 -4.291 16.932 402 H LEU 52 H LEU 52 1.720 -6.145 8.290 403 HA LEU 52 HA LEU 52 0.105 -8.370 9.021 404 HB2 LEU 52 1HB LEU 52 1.938 -8.142 6.643 405 HB3 LEU 52 2HB LEU 52 0.543 -9.206 6.818 406 HG LEU 52 HG LEU 52 0.402 -6.195 6.672 407 HD11 LEU 52 1HD1 LEU 52 -0.648 -7.895 4.498 408 HD12 LEU 52 2HD1 LEU 52 1.106 -7.742 4.605 409 HD13 LEU 52 3HD1 LEU 52 0.104 -6.301 4.435 410 HD21 LEU 52 1HD2 LEU 52 -1.571 -6.670 7.669 411 HD22 LEU 52 2HD2 LEU 52 -1.561 -8.352 7.140 412 HD23 LEU 52 3HD2 LEU 52 -2.044 -7.078 6.019 413 H MET 53 H MET 53 3.577 -8.059 8.282 414 HA MET 53 HA MET 53 4.013 -10.567 9.766 415 HB2 MET 53 1HB MET 53 5.466 -9.461 7.365 416 HB3 MET 53 2HB MET 53 6.109 -10.768 8.350 417 HG2 MET 53 1HG MET 53 3.357 -11.039 7.268 418 HG3 MET 53 2HG MET 53 4.719 -11.231 6.167 419 HE1 MET 53 1HE MET 53 6.259 -13.745 6.215 420 HE2 MET 53 2HE MET 53 4.858 -14.815 6.270 421 HE3 MET 53 3HE MET 53 4.759 -13.274 5.416 422 HA PRO 54 HA PRO 54 6.330 -8.037 12.567 423 HB2 PRO 54 1HB PRO 54 7.450 -10.058 13.992 424 HB3 PRO 54 2HB PRO 54 5.759 -9.577 14.173 425 HG2 PRO 54 1HG PRO 54 6.926 -11.843 12.603 426 HG3 PRO 54 2HG PRO 54 5.486 -11.824 13.638 427 HD2 PRO 54 1HD PRO 54 5.341 -11.666 10.939 428 HD3 PRO 54 2HD PRO 54 4.171 -10.864 12.007 429 H GLY 55 H GLY 55 7.853 -7.129 11.137 430 HA2 GLY 55 1HA GLY 55 10.244 -6.801 11.066 431 HA3 GLY 55 2HA GLY 55 10.436 -8.547 11.116 432 H SER 56 H SER 56 8.496 -6.363 9.076 433 HA SER 56 HA SER 56 9.295 -7.879 6.730 434 HB2 SER 56 1HB SER 56 7.402 -5.530 7.003 435 HB3 SER 56 2HB SER 56 7.642 -6.487 5.541 436 HG SER 56 HG SER 56 6.413 -7.212 7.963 437 H VAL 57 H VAL 57 9.321 -4.456 7.729 438 HA VAL 57 HA VAL 57 11.546 -4.019 5.845 439 HB VAL 57 HB VAL 57 9.536 -2.018 6.886 440 HG11 VAL 57 1HG1 VAL 57 11.654 -0.929 6.615 441 HG12 VAL 57 2HG1 VAL 57 11.890 -1.678 5.034 442 HG13 VAL 57 3HG1 VAL 57 10.620 -0.475 5.261 443 HG21 VAL 57 1HG2 VAL 57 9.933 -2.883 4.037 444 HG22 VAL 57 2HG2 VAL 57 8.815 -3.712 5.119 445 HG23 VAL 57 3HG2 VAL 57 8.575 -2.006 4.742 446 H GLU 58 H GLU 58 13.462 -3.475 6.660 447 HA GLU 58 HA GLU 58 13.978 -3.449 9.415 448 HB2 GLU 58 1HB GLU 58 15.600 -2.538 7.045 449 HB3 GLU 58 2HB GLU 58 16.220 -2.461 8.688 450 HG2 GLU 58 1HG GLU 58 15.528 -4.985 8.740 451 HG3 GLU 58 2HG GLU 58 15.642 -4.832 6.987 452 H LYS 59 H LYS 59 14.430 -0.705 7.181 453 HA LYS 59 HA LYS 59 13.127 1.094 9.038 454 HB2 LYS 59 1HB LYS 59 16.080 1.255 8.444 455 HB3 LYS 59 2HB LYS 59 15.155 2.634 9.023 456 HG2 LYS 59 1HG LYS 59 14.465 1.120 10.966 457 HG3 LYS 59 2HG LYS 59 15.784 0.071 10.441 458 HD2 LYS 59 1HD LYS 59 17.353 1.942 10.679 459 HD3 LYS 59 2HD LYS 59 16.030 2.979 11.217 460 HE2 LYS 59 1HE LYS 59 15.710 1.664 13.185 461 HE3 LYS 59 2HE LYS 59 16.824 0.426 12.607 462 HZ1 LYS 59 1HZ LYS 59 18.635 1.986 12.793 463 HZ2 LYS 59 2HZ LYS 59 17.829 1.882 14.276 464 HZ3 LYS 59 3HZ LYS 59 17.582 3.220 13.271 465 H PHE 60 H PHE 60 11.827 2.222 7.762 466 HA PHE 60 HA PHE 60 12.761 2.941 5.067 467 HB2 PHE 60 1HB PHE 60 10.318 3.280 4.574 468 HB3 PHE 60 2HB PHE 60 10.765 1.620 4.955 469 HD1 PHE 60 2HD PHE 60 10.460 0.898 7.430 470 HD2 PHE 60 1HD PHE 60 8.545 4.266 5.668 471 HE1 PHE 60 2HE PHE 60 8.746 0.842 9.194 472 HE2 PHE 60 1HE PHE 60 6.828 4.216 7.430 473 HZ PHE 60 HZ PHE 60 6.926 2.501 9.195 474 H CYS 61 H CYS 61 11.337 4.997 4.320 475 HA CYS 61 HA CYS 61 12.077 7.100 6.221 476 HB2 CYS 61 1HB CYS 61 12.857 7.015 3.744 477 HB3 CYS 61 2HB CYS 61 11.234 7.586 3.379 478 HG CYS 61 HG CYS 61 13.775 9.389 3.997 479 H LEU 62 H LEU 62 10.431 7.503 7.576 480 HA LEU 62 HA LEU 62 7.715 7.152 7.062 481 HB2 LEU 62 1HB LEU 62 9.202 8.867 9.025 482 HB3 LEU 62 2HB LEU 62 7.441 8.838 8.972 483 HG LEU 62 HG LEU 62 9.222 6.465 9.527 484 HD11 LEU 62 1HD1 LEU 62 8.880 8.427 11.251 485 HD12 LEU 62 2HD1 LEU 62 8.840 6.740 11.761 486 HD13 LEU 62 3HD1 LEU 62 7.333 7.622 11.511 487 HD21 LEU 62 1HD2 LEU 62 6.493 6.653 8.691 488 HD22 LEU 62 2HD2 LEU 62 6.562 6.031 10.340 489 HD23 LEU 62 3HD2 LEU 62 7.451 5.217 9.052 490 H ASP 63 H ASP 63 9.682 10.106 6.875 491 HA ASP 63 HA ASP 63 7.621 11.256 5.117 492 HB2 ASP 63 1HB ASP 63 7.684 12.210 7.506 493 HB3 ASP 63 2HB ASP 63 9.218 12.939 7.037 494 HA PRO 64 HA PRO 64 11.651 11.263 2.909 495 HB2 PRO 64 1HB PRO 64 10.552 10.795 0.471 496 HB3 PRO 64 2HB PRO 64 10.941 9.503 1.613 497 HG2 PRO 64 1HG PRO 64 8.305 10.807 1.055 498 HG3 PRO 64 2HG PRO 64 8.675 9.089 1.290 499 HD2 PRO 64 1HD PRO 64 7.615 10.631 3.247 500 HD3 PRO 64 2HD PRO 64 8.719 9.283 3.586 501 H GLN 65 H GLN 65 12.274 13.353 2.849 502 HA GLN 65 HA GLN 65 10.597 15.454 1.871 503 HB2 GLN 65 1HB GLN 65 13.483 15.325 2.720 504 HB3 GLN 65 2HB GLN 65 12.772 16.796 2.069 505 HG2 GLN 65 1HG GLN 65 11.028 16.608 3.880 506 HG3 GLN 65 2HG GLN 65 12.033 15.346 4.590 507 HE21 GLN 65 1HE2 GLN 65 11.838 17.058 6.348 508 HE22 GLN 65 2HE2 GLN 65 13.102 18.235 6.405 509 H THR 66 H THR 66 12.984 13.356 0.493 510 HA THR 66 HA THR 66 12.737 14.805 -2.063 511 HB THR 66 HB THR 66 14.997 14.086 -2.661 512 HG1 THR 66 1HG THR 66 14.761 12.701 -0.246 513 HG21 THR 66 1HG2 THR 66 16.073 15.270 -0.434 514 HG22 THR 66 2HG2 THR 66 14.407 15.849 -0.402 515 HG23 THR 66 3HG2 THR 66 15.411 16.128 -1.825 516 H GLU 67 H GLU 67 13.318 13.332 -3.962 517 HA GLU 67 HA GLU 67 11.509 11.192 -4.043 518 HB2 GLU 67 1HB GLU 67 12.058 12.247 -6.093 519 HB3 GLU 67 2HB GLU 67 13.781 11.997 -5.848 520 HG2 GLU 67 1HG GLU 67 13.585 9.665 -6.261 521 HG3 GLU 67 2HG GLU 67 11.824 9.750 -6.238 522 H ALA 68 H ALA 68 15.074 11.128 -4.016 523 HA ALA 68 HA ALA 68 15.594 8.471 -4.034 524 HB1 ALA 68 1HB ALA 68 17.122 9.807 -1.937 525 HB2 ALA 68 2HB ALA 68 17.667 9.061 -3.440 526 HB3 ALA 68 3HB ALA 68 17.051 10.714 -3.448 527 H ASP 69 H ASP 69 14.343 10.326 -1.317 528 HA ASP 69 HA ASP 69 14.560 8.226 0.594 529 HB2 ASP 69 1HB ASP 69 12.927 10.766 0.541 530 HB3 ASP 69 2HB ASP 69 12.938 9.656 1.909 531 H CYS 70 H CYS 70 12.025 9.316 -1.594 532 HA CYS 70 HA CYS 70 9.957 7.691 -0.558 533 HB2 CYS 70 1HB CYS 70 10.371 8.963 -3.265 534 HB3 CYS 70 2HB CYS 70 8.918 8.064 -2.844 535 HG CYS 70 HG CYS 70 8.280 9.804 -0.690 536 H ILE 71 H ILE 71 11.894 7.280 -3.528 537 HA ILE 71 HA ILE 71 11.045 4.842 -4.368 538 HB ILE 71 HB ILE 71 13.906 5.806 -4.312 539 HG12 ILE 71 1HG1 ILE 71 12.481 7.336 -5.515 540 HG13 ILE 71 2HG1 ILE 71 13.413 6.410 -6.688 541 HG21 ILE 71 1HG2 ILE 71 13.580 3.322 -4.644 542 HG22 ILE 71 2HG2 ILE 71 12.745 3.724 -6.143 543 HG23 ILE 71 3HG2 ILE 71 14.438 4.168 -5.931 544 HD11 ILE 71 1HD1 ILE 71 11.123 4.922 -6.400 545 HD12 ILE 71 2HD1 ILE 71 10.544 6.586 -6.305 546 HD13 ILE 71 3HD1 ILE 71 11.474 6.054 -7.706 547 H ASN 72 H ASN 72 13.378 5.459 -1.778 548 HA ASN 72 HA ASN 72 14.207 2.866 -1.264 549 HB2 ASN 72 1HB ASN 72 13.859 5.270 0.510 550 HB3 ASN 72 2HB ASN 72 14.429 3.737 1.163 551 HD21 ASN 72 1HD2 ASN 72 15.880 6.163 1.132 552 HD22 ASN 72 2HD2 ASN 72 17.283 5.925 0.152 553 H ASN 73 H ASN 73 11.420 4.603 0.101 554 HA ASN 73 HA ASN 73 10.496 2.595 1.795 555 HB2 ASN 73 1HB ASN 73 8.852 4.629 0.271 556 HB3 ASN 73 2HB ASN 73 8.323 3.733 1.691 557 HD21 ASN 73 1HD2 ASN 73 8.109 6.339 1.884 558 HD22 ASN 73 2HD2 ASN 73 9.345 7.021 2.880 559 H ILE 74 H ILE 74 9.305 3.362 -1.482 560 HA ILE 74 HA ILE 74 7.531 1.317 -1.841 561 HB ILE 74 HB ILE 74 9.455 2.352 -3.927 562 HG12 ILE 74 1HG1 ILE 74 6.610 3.244 -3.564 563 HG13 ILE 74 2HG1 ILE 74 7.897 3.974 -2.611 564 HG21 ILE 74 1HG2 ILE 74 6.919 0.755 -4.118 565 HG22 ILE 74 2HG2 ILE 74 7.537 1.705 -5.468 566 HG23 ILE 74 3HG2 ILE 74 8.503 0.389 -4.801 567 HD11 ILE 74 1HD1 ILE 74 7.421 4.102 -5.552 568 HD12 ILE 74 2HD1 ILE 74 7.709 5.408 -4.403 569 HD13 ILE 74 3HD1 ILE 74 9.038 4.359 -4.897 570 H ASN 75 H ASN 75 10.992 1.182 -2.699 571 HA ASN 75 HA ASN 75 11.073 -1.477 -3.502 572 HB2 ASN 75 1HB ASN 75 13.104 0.440 -2.435 573 HB3 ASN 75 2HB ASN 75 13.549 -1.256 -2.599 574 HD21 ASN 75 1HD2 ASN 75 12.330 1.541 -4.345 575 HD22 ASN 75 2HD2 ASN 75 12.918 1.059 -5.897 576 H ASP 76 H ASP 76 11.578 -0.090 -0.276 577 HA ASP 76 HA ASP 76 12.289 -2.385 1.101 578 HB2 ASP 76 1HB ASP 76 10.556 -0.131 2.135 579 HB3 ASP 76 2HB ASP 76 11.484 -1.263 3.114 580 H PHE 77 H PHE 77 9.020 -1.076 0.578 581 HA PHE 77 HA PHE 77 7.543 -2.953 1.944 582 HB2 PHE 77 1HB PHE 77 6.227 -1.247 1.137 583 HB3 PHE 77 2HB PHE 77 7.014 -1.241 -0.438 584 HD1 PHE 77 1HD PHE 77 4.861 -3.444 1.664 585 HD2 PHE 77 2HD PHE 77 5.847 -2.057 -2.238 586 HE1 PHE 77 1HE PHE 77 2.993 -4.747 0.732 587 HE2 PHE 77 2HE PHE 77 3.980 -3.357 -3.175 588 HZ PHE 77 HZ PHE 77 2.550 -4.704 -1.690 589 H LEU 78 H LEU 78 8.727 -3.132 -1.395 590 HA LEU 78 HA LEU 78 7.536 -5.531 -2.142 591 HB2 LEU 78 1HB LEU 78 10.250 -4.498 -2.950 592 HB3 LEU 78 2HB LEU 78 9.311 -5.720 -3.805 593 HG LEU 78 HG LEU 78 8.339 -2.898 -3.422 594 HD11 LEU 78 1HD1 LEU 78 9.275 -2.247 -5.447 595 HD12 LEU 78 2HD1 LEU 78 9.609 -3.906 -5.940 596 HD13 LEU 78 3HD1 LEU 78 10.574 -3.152 -4.671 597 HD21 LEU 78 1HD2 LEU 78 7.479 -4.279 -5.790 598 HD22 LEU 78 2HD2 LEU 78 6.516 -3.589 -4.483 599 HD23 LEU 78 3HD2 LEU 78 7.123 -5.241 -4.355 600 H LYS 79 H LYS 79 10.685 -4.977 -0.595 601 HA LYS 79 HA LYS 79 11.847 -7.387 -0.522 602 HB2 LYS 79 1HB LYS 79 11.461 -5.701 1.958 603 HB3 LYS 79 2HB LYS 79 12.749 -6.865 1.676 604 HG2 LYS 79 1HG LYS 79 12.308 -4.315 0.135 605 HG3 LYS 79 2HG LYS 79 13.532 -4.582 1.378 606 HD2 LYS 79 1HD LYS 79 13.336 -6.209 -1.151 607 HD3 LYS 79 2HD LYS 79 14.355 -4.777 -0.987 608 HE2 LYS 79 1HE LYS 79 15.880 -6.379 -0.439 609 HE3 LYS 79 2HE LYS 79 15.199 -6.079 1.159 610 HZ1 LYS 79 1HZ LYS 79 14.975 -8.305 1.137 611 HZ2 LYS 79 2HZ LYS 79 14.956 -8.416 -0.551 612 HZ3 LYS 79 3HZ LYS 79 13.554 -7.966 0.282 613 H GLY 80 H GLY 80 8.988 -6.486 1.340 614 HA2 GLY 80 1HA GLY 80 8.873 -9.089 2.627 615 HA3 GLY 80 2HA GLY 80 7.748 -7.759 2.858 616 H CYS 81 H CYS 81 7.089 -7.304 0.148 617 HA CYS 81 HA CYS 81 4.912 -8.921 -0.228 618 HB2 CYS 81 1HB CYS 81 4.652 -7.926 -2.310 619 HB3 CYS 81 2HB CYS 81 5.680 -6.764 -1.481 620 HG CYS 81 HG CYS 81 8.008 -7.470 -2.750 621 H ALA 82 H ALA 82 8.180 -9.393 -1.508 622 HA ALA 82 HA ALA 82 7.815 -11.513 -3.200 623 HB1 ALA 82 1HB ALA 82 10.004 -11.083 -3.272 624 HB2 ALA 82 2HB ALA 82 10.026 -10.469 -1.618 625 HB3 ALA 82 3HB ALA 82 10.146 -12.203 -1.916 626 H THR 83 H THR 83 8.282 -11.680 0.323 627 HA THR 83 HA THR 83 8.274 -14.416 0.668 628 HB THR 83 HB THR 83 6.970 -12.400 2.508 629 HG1 THR 83 1HG THR 83 8.999 -11.725 2.540 630 HG21 THR 83 1HG2 THR 83 8.041 -14.311 4.103 631 HG22 THR 83 2HG2 THR 83 7.551 -15.281 2.714 632 HG23 THR 83 3HG2 THR 83 6.361 -14.299 3.568 633 H LEU 84 H LEU 84 5.496 -12.229 0.422 634 HA LEU 84 HA LEU 84 3.517 -14.192 0.896 635 HB2 LEU 84 1HB LEU 84 3.421 -11.538 -0.520 636 HB3 LEU 84 2HB LEU 84 1.996 -12.533 -0.229 637 HG LEU 84 HG LEU 84 3.686 -11.749 2.096 638 HD11 LEU 84 1HD1 LEU 84 2.425 -9.868 0.307 639 HD12 LEU 84 2HD1 LEU 84 3.448 -9.575 1.713 640 HD13 LEU 84 3HD1 LEU 84 1.711 -9.800 1.919 641 HD21 LEU 84 1HD2 LEU 84 1.953 -13.143 2.729 642 HD22 LEU 84 2HD2 LEU 84 0.829 -12.452 1.558 643 HD23 LEU 84 3HD2 LEU 84 1.265 -11.543 3.006 644 H GLN 85 H GLN 85 5.392 -13.368 -1.883 645 HA GLN 85 HA GLN 85 5.510 -14.230 -3.984 646 HB2 GLN 85 1HB GLN 85 3.884 -16.457 -2.745 647 HB3 GLN 85 2HB GLN 85 4.668 -16.537 -4.318 648 HG2 GLN 85 1HG GLN 85 6.766 -16.703 -3.423 649 HG3 GLN 85 2HG GLN 85 6.315 -15.877 -1.932 650 HE21 GLN 85 1HE2 GLN 85 7.620 -18.526 -2.596 651 HE22 GLN 85 2HE2 GLN 85 6.740 -19.675 -1.653 652 H VAL 86 H VAL 86 3.667 -12.267 -3.730 653 HA VAL 86 HA VAL 86 1.429 -13.212 -5.402 654 HB VAL 86 HB VAL 86 0.100 -11.318 -4.499 655 HG11 VAL 86 1HG1 VAL 86 1.120 -13.436 -2.630 656 HG12 VAL 86 2HG1 VAL 86 -0.177 -12.328 -2.176 657 HG13 VAL 86 3HG1 VAL 86 -0.382 -13.414 -3.552 658 HG21 VAL 86 1HG2 VAL 86 1.308 -9.683 -3.552 659 HG22 VAL 86 2HG2 VAL 86 1.234 -10.683 -2.101 660 HG23 VAL 86 3HG2 VAL 86 2.644 -10.764 -3.157 661 H GLU 87 H GLU 87 0.390 -11.116 -6.488 662 HA GLU 87 HA GLU 87 2.079 -10.299 -8.505 663 HB2 GLU 87 1HB GLU 87 -0.462 -9.156 -7.400 664 HB3 GLU 87 2HB GLU 87 0.399 -8.307 -8.676 665 HG2 GLU 87 1HG GLU 87 -0.170 -11.194 -9.056 666 HG3 GLU 87 2HG GLU 87 -1.505 -10.051 -9.199 667 H ILE 88 H ILE 88 3.209 -8.388 -8.963 668 HA ILE 88 HA ILE 88 3.662 -6.530 -6.749 669 HB ILE 88 HB ILE 88 6.112 -6.595 -7.132 670 HG12 ILE 88 1HG1 ILE 88 5.813 -9.244 -8.481 671 HG13 ILE 88 2HG1 ILE 88 5.657 -7.785 -9.452 672 HG21 ILE 88 1HG2 ILE 88 4.814 -9.171 -6.257 673 HG22 ILE 88 2HG2 ILE 88 6.497 -8.744 -5.954 674 HG23 ILE 88 3HG2 ILE 88 5.203 -7.779 -5.247 675 HD11 ILE 88 1HD1 ILE 88 7.875 -8.103 -9.689 676 HD12 ILE 88 2HD1 ILE 88 7.922 -7.200 -8.175 677 HD13 ILE 88 3HD1 ILE 88 8.030 -8.960 -8.155 678 H PHE 89 H PHE 89 5.350 -4.789 -7.623 679 HA PHE 89 HA PHE 89 4.895 -4.173 -10.431 680 HB2 PHE 89 1HB PHE 89 4.156 -1.835 -9.818 681 HB3 PHE 89 2HB PHE 89 2.981 -3.104 -9.492 682 HD1 PHE 89 1HD PHE 89 5.492 -0.890 -7.932 683 HD2 PHE 89 2HD PHE 89 2.184 -3.496 -7.313 684 HE1 PHE 89 1HE PHE 89 5.345 -0.142 -5.592 685 HE2 PHE 89 2HE PHE 89 2.030 -2.751 -4.974 686 HZ PHE 89 HZ PHE 89 3.611 -1.072 -4.110 687 H ASP 90 H ASP 90 5.931 -1.813 -10.781 688 HA ASP 90 HA ASP 90 8.651 -2.056 -9.718 689 HB2 ASP 90 1HB ASP 90 7.475 -0.871 -12.200 690 HB3 ASP 90 2HB ASP 90 9.013 -0.251 -11.606 691 HA PRO 91 HA PRO 91 8.447 1.580 -7.274 692 HB2 PRO 91 1HB PRO 91 10.907 2.663 -7.658 693 HB3 PRO 91 2HB PRO 91 10.640 1.198 -6.705 694 HG2 PRO 91 1HG PRO 91 11.561 1.472 -9.541 695 HG3 PRO 91 2HG PRO 91 12.162 0.393 -8.268 696 HD2 PRO 91 1HD PRO 91 10.470 -0.444 -10.209 697 HD3 PRO 91 2HD PRO 91 10.450 -1.120 -8.567 698 H ASP 92 H ASP 92 8.772 1.771 -10.646 699 HA ASP 92 HA ASP 92 8.667 4.689 -10.706 700 HB2 ASP 92 1HB ASP 92 8.829 2.646 -12.931 701 HB3 ASP 92 2HB ASP 92 8.783 4.389 -13.180 702 H ASP 93 H ASP 93 6.728 1.880 -11.651 703 HA ASP 93 HA ASP 93 4.588 3.178 -12.842 704 HB2 ASP 93 1HB ASP 93 4.764 0.620 -11.264 705 HB3 ASP 93 2HB ASP 93 3.240 1.171 -11.954 706 H LEU 94 H LEU 94 5.131 2.459 -9.414 707 HA LEU 94 HA LEU 94 2.659 3.652 -8.582 708 HB2 LEU 94 1HB LEU 94 3.462 1.949 -7.187 709 HB3 LEU 94 2HB LEU 94 5.087 2.630 -7.148 710 HG LEU 94 HG LEU 94 4.301 4.451 -5.727 711 HD11 LEU 94 1HD1 LEU 94 1.657 3.079 -5.454 712 HD12 LEU 94 2HD1 LEU 94 1.921 4.278 -6.721 713 HD13 LEU 94 3HD1 LEU 94 2.112 4.729 -5.026 714 HD21 LEU 94 1HD2 LEU 94 4.626 3.205 -3.906 715 HD22 LEU 94 2HD2 LEU 94 4.687 1.823 -5.000 716 HD23 LEU 94 3HD2 LEU 94 3.174 2.248 -4.198 717 H TYR 95 H TYR 95 6.053 4.543 -7.921 718 HA TYR 95 HA TYR 95 5.674 7.001 -6.795 719 HB2 TYR 95 1HB TYR 95 7.874 5.891 -7.065 720 HB3 TYR 95 2HB TYR 95 7.856 6.310 -8.775 721 HD1 TYR 95 2HD TYR 95 7.070 8.243 -5.671 722 HD2 TYR 95 1HD TYR 95 9.432 7.941 -9.197 723 HE1 TYR 95 2HE TYR 95 8.119 10.405 -5.146 724 HE2 TYR 95 1HE TYR 95 10.489 10.101 -8.681 725 HH TYR 95 HH TYR 95 9.966 12.142 -7.378 726 H SER 96 H SER 96 6.310 6.503 -10.273 727 HA SER 96 HA SER 96 5.689 9.161 -11.000 728 HB2 SER 96 1HB SER 96 7.077 7.701 -12.408 729 HB3 SER 96 2HB SER 96 5.687 6.658 -12.706 730 HG SER 96 HG SER 96 4.688 8.363 -13.782 731 H GLY 97 H GLY 97 3.822 6.144 -11.368 732 HA2 GLY 97 1HA GLY 97 1.477 6.060 -10.860 733 HA3 GLY 97 2HA GLY 97 1.369 7.767 -11.262 734 H VAL 98 H VAL 98 2.926 5.192 -13.123 735 HA VAL 98 HA VAL 98 1.436 5.995 -15.473 736 HB VAL 98 HB VAL 98 3.531 3.844 -15.133 737 HG11 VAL 98 1HG1 VAL 98 2.621 3.128 -17.071 738 HG12 VAL 98 2HG1 VAL 98 1.858 4.683 -17.413 739 HG13 VAL 98 3HG1 VAL 98 3.573 4.446 -17.754 740 HG21 VAL 98 1HG2 VAL 98 4.727 5.701 -16.630 741 HG22 VAL 98 2HG2 VAL 98 3.645 6.747 -15.711 742 HG23 VAL 98 3HG2 VAL 98 4.797 5.712 -14.868 743 H ASN 99 H ASN 99 2.034 2.867 -13.856 744 HA ASN 99 HA ASN 99 -0.626 2.000 -14.783 745 HB2 ASN 99 1HB ASN 99 1.997 0.582 -14.680 746 HB3 ASN 99 2HB ASN 99 0.536 -0.358 -14.393 747 HD21 ASN 99 1HD2 ASN 99 -0.415 -1.183 -16.105 748 HD22 ASN 99 2HD2 ASN 99 -0.228 -0.638 -17.734 749 H PHE 100 H PHE 100 -1.537 2.869 -12.837 750 HA PHE 100 HA PHE 100 -0.708 1.948 -10.267 751 HB2 PHE 100 1HB PHE 100 -1.883 4.098 -10.603 752 HB3 PHE 100 2HB PHE 100 -3.327 3.218 -11.091 753 HD1 PHE 100 2HD PHE 100 -0.903 2.902 -8.269 754 HD2 PHE 100 1HD PHE 100 -4.959 3.308 -9.492 755 HE1 PHE 100 2HE PHE 100 -1.620 2.783 -5.918 756 HE2 PHE 100 1HE PHE 100 -5.683 3.191 -7.143 757 HZ PHE 100 HZ PHE 100 -4.012 2.926 -5.353 758 H SER 101 H SER 101 -3.287 1.052 -12.513 759 HA SER 101 HA SER 101 -4.910 -0.580 -11.167 760 HB2 SER 101 1HB SER 101 -4.948 -0.304 -13.631 761 HB3 SER 101 2HB SER 101 -3.570 -1.398 -13.757 762 HG SER 101 HG SER 101 -5.890 -2.222 -12.404 763 H LYS 102 H LYS 102 -1.599 -1.418 -12.083 764 HA LYS 102 HA LYS 102 -1.649 -4.072 -11.120 765 HB2 LYS 102 1HB LYS 102 0.619 -2.135 -11.584 766 HB3 LYS 102 2HB LYS 102 0.871 -3.801 -11.081 767 HG2 LYS 102 1HG LYS 102 0.216 -4.658 -13.105 768 HG3 LYS 102 2HG LYS 102 -0.779 -3.254 -13.500 769 HD2 LYS 102 1HD LYS 102 1.012 -2.943 -14.912 770 HD3 LYS 102 2HD LYS 102 1.520 -2.003 -13.508 771 HE2 LYS 102 1HE LYS 102 2.727 -4.079 -12.718 772 HE3 LYS 102 2HE LYS 102 2.404 -4.767 -14.309 773 HZ1 LYS 102 1HZ LYS 102 4.557 -3.813 -14.361 774 HZ2 LYS 102 2HZ LYS 102 4.018 -2.358 -13.687 775 HZ3 LYS 102 3HZ LYS 102 3.553 -2.786 -15.256 776 H VAL 103 H VAL 103 -0.241 -1.133 -9.664 777 HA VAL 103 HA VAL 103 0.625 -2.098 -7.273 778 HB VAL 103 HB VAL 103 -0.853 0.508 -7.664 779 HG11 VAL 103 1HG1 VAL 103 1.279 0.382 -5.670 780 HG12 VAL 103 2HG1 VAL 103 -0.330 1.099 -5.568 781 HG13 VAL 103 3HG1 VAL 103 -0.114 -0.629 -5.287 782 HG21 VAL 103 1HG2 VAL 103 0.895 0.653 -9.161 783 HG22 VAL 103 2HG2 VAL 103 1.630 1.311 -7.699 784 HG23 VAL 103 3HG2 VAL 103 1.960 -0.354 -8.179 785 H LEU 104 H LEU 104 -2.681 -0.921 -7.902 786 HA LEU 104 HA LEU 104 -3.794 -1.413 -5.426 787 HB2 LEU 104 1HB LEU 104 -4.977 -0.226 -7.167 788 HB3 LEU 104 2HB LEU 104 -5.051 -1.686 -8.151 789 HG LEU 104 HG LEU 104 -6.507 -2.711 -6.412 790 HD11 LEU 104 1HD1 LEU 104 -7.063 -0.042 -5.261 791 HD12 LEU 104 2HD1 LEU 104 -5.600 -0.866 -4.722 792 HD13 LEU 104 3HD1 LEU 104 -7.172 -1.642 -4.527 793 HD21 LEU 104 1HD2 LEU 104 -8.496 -1.565 -7.088 794 HD22 LEU 104 2HD2 LEU 104 -7.378 -1.571 -8.452 795 HD23 LEU 104 3HD2 LEU 104 -7.584 -0.109 -7.486 796 H SER 105 H SER 105 -3.671 -3.627 -8.212 797 HA SER 105 HA SER 105 -4.955 -5.799 -7.049 798 HB2 SER 105 1HB SER 105 -2.648 -6.004 -8.993 799 HB3 SER 105 2HB SER 105 -3.972 -7.148 -8.775 800 HG SER 105 HG SER 105 -3.884 -5.147 -10.452 801 H THR 106 H THR 106 -1.448 -5.185 -7.234 802 HA THR 106 HA THR 106 -0.400 -7.314 -5.955 803 HB THR 106 HB THR 106 0.365 -4.429 -5.471 804 HG1 THR 106 1HG THR 106 0.918 -6.324 -7.452 805 HG21 THR 106 1HG2 THR 106 2.651 -5.830 -5.137 806 HG22 THR 106 2HG2 THR 106 1.482 -6.969 -4.468 807 HG23 THR 106 3HG2 THR 106 1.602 -5.337 -3.809 808 H LEU 107 H LEU 107 -1.783 -4.481 -4.301 809 HA LEU 107 HA LEU 107 -1.411 -5.514 -1.687 810 HB2 LEU 107 1HB LEU 107 -3.181 -3.352 -2.798 811 HB3 LEU 107 2HB LEU 107 -3.132 -3.753 -1.082 812 HG LEU 107 HG LEU 107 -0.678 -2.923 -2.612 813 HD11 LEU 107 1HD1 LEU 107 -1.631 -0.913 -2.834 814 HD12 LEU 107 2HD1 LEU 107 -1.376 -0.760 -1.096 815 HD13 LEU 107 3HD1 LEU 107 -2.937 -1.302 -1.714 816 HD21 LEU 107 1HD2 LEU 107 -0.664 -4.117 -0.311 817 HD22 LEU 107 2HD2 LEU 107 -1.208 -2.558 0.310 818 HD23 LEU 107 3HD2 LEU 107 0.331 -2.680 -0.544 819 H LEU 108 H LEU 108 -4.224 -5.398 -3.852 820 HA LEU 108 HA LEU 108 -6.202 -6.405 -2.280 821 HB2 LEU 108 1HB LEU 108 -5.542 -6.708 -5.160 822 HB3 LEU 108 2HB LEU 108 -6.816 -7.729 -4.494 823 HG LEU 108 HG LEU 108 -6.816 -4.718 -4.336 824 HD11 LEU 108 1HD1 LEU 108 -8.566 -6.293 -6.172 825 HD12 LEU 108 2HD1 LEU 108 -6.935 -5.850 -6.675 826 HD13 LEU 108 3HD1 LEU 108 -8.097 -4.594 -6.247 827 HD21 LEU 108 1HD2 LEU 108 -9.280 -6.336 -4.165 828 HD22 LEU 108 2HD2 LEU 108 -8.822 -4.867 -3.304 829 HD23 LEU 108 3HD2 LEU 108 -8.183 -6.428 -2.788 830 H ALA 109 H ALA 109 -3.758 -8.315 -4.013 831 HA ALA 109 HA ALA 109 -4.666 -10.846 -3.198 832 HB1 ALA 109 1HB ALA 109 -2.937 -11.629 -4.390 833 HB2 ALA 109 2HB ALA 109 -2.719 -9.948 -4.879 834 HB3 ALA 109 3HB ALA 109 -1.769 -10.610 -3.549 835 H VAL 110 H VAL 110 -2.157 -8.732 -1.822 836 HA VAL 110 HA VAL 110 -1.255 -10.348 0.225 837 HB VAL 110 HB VAL 110 -1.645 -7.353 0.325 838 HG11 VAL 110 1HG1 VAL 110 -1.229 -7.906 2.528 839 HG12 VAL 110 2HG1 VAL 110 -0.210 -9.282 2.100 840 HG13 VAL 110 3HG1 VAL 110 0.400 -7.638 1.909 841 HG21 VAL 110 1HG2 VAL 110 0.604 -7.171 -0.479 842 HG22 VAL 110 2HG2 VAL 110 0.822 -8.920 -0.417 843 HG23 VAL 110 3HG2 VAL 110 -0.291 -8.211 -1.587 844 H ASN 111 H ASN 111 -3.831 -7.890 0.477 845 HA ASN 111 HA ASN 111 -4.615 -8.311 3.070 846 HB2 ASN 111 1HB ASN 111 -5.696 -6.530 2.048 847 HB3 ASN 111 2HB ASN 111 -6.098 -7.464 0.610 848 HD21 ASN 111 1HD2 ASN 111 -6.677 -7.811 4.097 849 HD22 ASN 111 2HD2 ASN 111 -8.380 -8.068 3.958 850 H LYS 112 H LYS 112 -5.775 -10.039 0.189 851 HA LYS 112 HA LYS 112 -7.581 -11.732 1.512 852 HB2 LYS 112 1HB LYS 112 -7.192 -11.279 -1.036 853 HB3 LYS 112 2HB LYS 112 -6.077 -12.634 -0.918 854 HG2 LYS 112 1HG LYS 112 -8.075 -13.597 -1.615 855 HG3 LYS 112 2HG LYS 112 -8.030 -13.915 0.121 856 HD2 LYS 112 1HD LYS 112 -9.712 -12.417 0.576 857 HD3 LYS 112 2HD LYS 112 -9.368 -11.434 -0.850 858 HE2 LYS 112 1HE LYS 112 -10.345 -14.222 -1.231 859 HE3 LYS 112 2HE LYS 112 -11.497 -12.985 -0.729 860 HZ1 LYS 112 1HZ LYS 112 -11.235 -13.355 -3.198 861 HZ2 LYS 112 2HZ LYS 112 -9.717 -12.622 -3.065 862 HZ3 LYS 112 3HZ LYS 112 -11.113 -11.753 -2.668 863 H ALA 113 H ALA 113 -4.219 -12.324 0.494 864 HA ALA 113 HA ALA 113 -3.947 -14.912 1.451 865 HB1 ALA 113 1HB ALA 113 -2.052 -14.488 0.348 866 HB2 ALA 113 2HB ALA 113 -2.151 -12.755 0.663 867 HB3 ALA 113 3HB ALA 113 -1.460 -13.834 1.875 868 H THR 114 H THR 114 -3.244 -11.857 3.137 869 HA THR 114 HA THR 114 -2.385 -12.963 5.555 870 HB THR 114 HB THR 114 -3.037 -10.774 6.577 871 HG1 THR 114 1HG THR 114 -3.741 -9.177 4.939 872 HG21 THR 114 1HG2 THR 114 -1.278 -9.623 5.614 873 HG22 THR 114 2HG2 THR 114 -1.664 -10.184 3.987 874 HG23 THR 114 3HG2 THR 114 -0.911 -11.282 5.143 875 H GLU 115 H GLU 115 -5.633 -12.014 4.492 876 HA GLU 115 HA GLU 115 -7.027 -12.394 6.852 877 HB2 GLU 115 1HB GLU 115 -7.746 -12.590 3.963 878 HB3 GLU 115 2HB GLU 115 -8.904 -13.172 5.150 879 HG2 GLU 115 1HG GLU 115 -7.701 -10.443 5.377 880 HG3 GLU 115 2HG GLU 115 -9.089 -10.749 4.335 881 H SER 116 H SER 116 -8.789 -14.241 6.989 882 HA SER 116 HA SER 116 -9.167 -16.395 7.620 883 HB2 SER 116 1HB SER 116 -7.710 -16.667 5.020 884 HB3 SER 116 2HB SER 116 -8.050 -18.119 5.962 885 HG SER 116 HG SER 116 -10.112 -16.277 5.498 886 H GLY 117 H GLY 117 -7.114 -15.136 9.014 887 HA2 GLY 117 1HA GLY 117 -5.159 -17.321 9.383 888 HA3 GLY 117 2HA GLY 117 -4.819 -15.630 9.720 889 HA PRO 118 HA PRO 118 -6.211 -17.932 13.595 890 HB2 PRO 118 1HB PRO 118 -3.883 -17.682 14.969 891 HB3 PRO 118 2HB PRO 118 -4.231 -19.053 13.909 892 HG2 PRO 118 1HG PRO 118 -2.604 -16.601 13.362 893 HG3 PRO 118 2HG PRO 118 -2.255 -18.290 12.950 894 HD2 PRO 118 1HD PRO 118 -3.239 -16.524 11.148 895 HD3 PRO 118 2HD PRO 118 -3.632 -18.255 11.102 896 H SER 119 H SER 119 -5.828 -17.008 15.934 897 HA SER 119 HA SER 119 -7.070 -14.634 16.241 898 HB2 SER 119 1HB SER 119 -4.920 -15.861 17.969 899 HB3 SER 119 2HB SER 119 -5.818 -14.422 18.453 900 HG SER 119 HG SER 119 -6.845 -17.010 17.920 901 H SER 120 H SER 120 -6.679 -12.587 15.739 902 HA SER 120 HA SER 120 -4.252 -11.767 14.534 903 HB2 SER 120 1HB SER 120 -6.706 -10.816 14.331 904 HB3 SER 120 2HB SER 120 -6.181 -9.767 15.648 905 HG SER 120 HG SER 120 -5.823 -8.978 13.437 906 H GLY 121 H GLY 121 -2.411 -11.176 15.459 907 HA2 GLY 121 1HA GLY 121 -1.752 -9.365 17.246 908 HA3 GLY 121 2HA GLY 121 -2.393 -10.592 18.328 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -17.481 4.999 4.913 2 HA2 GLY 1 1HA GLY 1 -15.677 2.734 4.332 3 HA3 GLY 1 2HA GLY 1 -16.085 3.286 5.950 4 H SER 2 H SER 2 -17.443 1.805 3.037 5 HA SER 2 HA SER 2 -19.164 0.172 4.740 6 HB2 SER 2 1HB SER 2 -20.569 2.075 4.081 7 HB3 SER 2 2HB SER 2 -20.201 1.768 2.384 8 HG SER 2 HG SER 2 -21.629 0.094 4.172 9 H SER 3 H SER 3 -20.188 -1.624 3.487 10 HA SER 3 HA SER 3 -18.194 -2.908 1.887 11 HB2 SER 3 1HB SER 3 -21.001 -3.715 2.669 12 HB3 SER 3 2HB SER 3 -19.922 -4.742 1.726 13 HG SER 3 HG SER 3 -18.424 -4.215 3.642 14 H GLY 4 H GLY 4 -17.919 -2.687 -0.226 15 HA2 GLY 4 1HA GLY 4 -20.285 -2.141 -1.900 16 HA3 GLY 4 2HA GLY 4 -18.817 -1.195 -2.093 17 H SER 5 H SER 5 -17.997 -1.759 -4.006 18 HA SER 5 HA SER 5 -17.470 -4.614 -4.469 19 HB2 SER 5 1HB SER 5 -18.622 -2.628 -6.432 20 HB3 SER 5 2HB SER 5 -17.893 -4.153 -6.932 21 HG SER 5 HG SER 5 -19.463 -5.058 -5.288 22 H SER 6 H SER 6 -16.741 -1.343 -5.683 23 HA SER 6 HA SER 6 -14.397 -1.830 -7.012 24 HB2 SER 6 1HB SER 6 -15.692 0.395 -6.639 25 HB3 SER 6 2HB SER 6 -14.630 0.591 -5.245 26 HG SER 6 HG SER 6 -12.895 0.131 -6.885 27 H GLY 7 H GLY 7 -12.194 -1.819 -6.479 28 HA2 GLY 7 1HA GLY 7 -11.632 -2.912 -3.847 29 HA3 GLY 7 2HA GLY 7 -10.516 -2.823 -5.202 30 H GLU 8 H GLU 8 -10.726 -0.067 -5.751 31 HA GLU 8 HA GLU 8 -8.737 1.082 -4.371 32 HB2 GLU 8 1HB GLU 8 -11.228 2.313 -5.508 33 HB3 GLU 8 2HB GLU 8 -10.020 3.313 -4.715 34 HG2 GLU 8 1HG GLU 8 -8.487 3.029 -6.371 35 HG3 GLU 8 2HG GLU 8 -9.098 1.437 -6.816 36 H GLU 9 H GLU 9 -12.157 1.416 -3.418 37 HA GLU 9 HA GLU 9 -11.695 2.817 -1.040 38 HB2 GLU 9 1HB GLU 9 -13.910 2.284 -2.343 39 HB3 GLU 9 2HB GLU 9 -13.975 0.890 -1.274 40 HG2 GLU 9 1HG GLU 9 -15.269 2.571 -0.257 41 HG3 GLU 9 2HG GLU 9 -13.761 2.488 0.652 42 H GLN 10 H GLN 10 -12.123 -0.669 -1.592 43 HA GLN 10 HA GLN 10 -12.032 -1.611 0.978 44 HB2 GLN 10 1HB GLN 10 -11.044 -2.719 -1.621 45 HB3 GLN 10 2HB GLN 10 -10.705 -3.588 -0.130 46 HG2 GLN 10 1HG GLN 10 -13.228 -3.408 0.308 47 HG3 GLN 10 2HG GLN 10 -13.348 -3.003 -1.403 48 HE21 GLN 10 1HE2 GLN 10 -12.024 -4.567 -2.823 49 HE22 GLN 10 2HE2 GLN 10 -12.250 -6.245 -2.481 50 H ILE 11 H ILE 11 -9.264 -0.824 -1.102 51 HA ILE 11 HA ILE 11 -7.266 -1.565 0.745 52 HB ILE 11 HB ILE 11 -7.102 0.481 -1.471 53 HG12 ILE 11 1HG1 ILE 11 -7.792 -1.724 -2.286 54 HG13 ILE 11 2HG1 ILE 11 -6.149 -1.357 -2.800 55 HG21 ILE 11 1HG2 ILE 11 -4.826 0.531 -1.227 56 HG22 ILE 11 2HG2 ILE 11 -5.318 0.326 0.453 57 HG23 ILE 11 3HG2 ILE 11 -4.761 -1.064 -0.478 58 HD11 ILE 11 1HD1 ILE 11 -6.027 -2.724 -0.314 59 HD12 ILE 11 2HD1 ILE 11 -7.089 -3.617 -1.403 60 HD13 ILE 11 3HD1 ILE 11 -5.439 -3.238 -1.895 61 H VAL 12 H VAL 12 -8.660 1.616 -0.039 62 HA VAL 12 HA VAL 12 -7.187 3.203 1.668 63 HB VAL 12 HB VAL 12 -10.119 3.472 0.988 64 HG11 VAL 12 1HG1 VAL 12 -8.387 5.033 2.713 65 HG12 VAL 12 2HG1 VAL 12 -9.067 5.999 1.402 66 HG13 VAL 12 3HG1 VAL 12 -10.135 5.116 2.494 67 HG21 VAL 12 1HG2 VAL 12 -7.820 4.955 -0.252 68 HG22 VAL 12 2HG2 VAL 12 -8.381 3.407 -0.884 69 HG23 VAL 12 3HG2 VAL 12 -9.474 4.790 -0.844 70 H THR 13 H THR 13 -10.378 1.786 2.411 71 HA THR 13 HA THR 13 -10.331 2.484 5.143 72 HB THR 13 HB THR 13 -11.881 0.235 3.843 73 HG1 THR 13 1HG THR 13 -12.080 2.606 3.117 74 HG21 THR 13 1HG2 THR 13 -13.385 1.339 5.889 75 HG22 THR 13 2HG2 THR 13 -11.753 1.276 6.555 76 HG23 THR 13 3HG2 THR 13 -12.515 -0.193 5.946 77 H TRP 14 H TRP 14 -9.123 -0.284 3.383 78 HA TRP 14 HA TRP 14 -8.789 -2.063 5.529 79 HB2 TRP 14 1HB TRP 14 -8.609 -2.858 3.260 80 HB3 TRP 14 2HB TRP 14 -7.252 -1.781 2.941 81 HD1 TRP 14 HD TRP 14 -7.650 -4.165 5.967 82 HE1 TRP 14 1HE TRP 14 -5.646 -5.781 5.973 83 HE3 TRP 14 3HE TRP 14 -5.409 -2.698 1.612 84 HZ2 TRP 14 2HZ TRP 14 -3.412 -6.357 4.348 85 HZ3 TRP 14 3HZ TRP 14 -3.342 -3.832 0.909 86 HH2 TRP 14 HH TRP 14 -2.365 -5.623 2.251 87 H LEU 15 H LEU 15 -6.336 0.016 3.976 88 HA LEU 15 HA LEU 15 -4.234 -0.440 5.683 89 HB2 LEU 15 1HB LEU 15 -4.990 2.191 4.420 90 HB3 LEU 15 2HB LEU 15 -3.399 1.774 5.054 91 HG LEU 15 HG LEU 15 -4.690 0.282 2.781 92 HD11 LEU 15 1HD1 LEU 15 -3.962 2.934 2.673 93 HD12 LEU 15 2HD1 LEU 15 -4.088 1.834 1.301 94 HD13 LEU 15 3HD1 LEU 15 -2.528 2.094 2.082 95 HD21 LEU 15 1HD2 LEU 15 -2.365 -0.379 2.326 96 HD22 LEU 15 2HD2 LEU 15 -2.910 -0.905 3.919 97 HD23 LEU 15 3HD2 LEU 15 -1.848 0.496 3.767 98 H ILE 16 H ILE 16 -6.493 2.310 5.959 99 HA ILE 16 HA ILE 16 -5.654 3.344 8.353 100 HB ILE 16 HB ILE 16 -8.494 3.123 7.353 101 HG12 ILE 16 1HG1 ILE 16 -6.617 5.486 7.246 102 HG13 ILE 16 2HG1 ILE 16 -6.770 4.326 5.931 103 HG21 ILE 16 1HG2 ILE 16 -7.324 4.429 9.745 104 HG22 ILE 16 2HG2 ILE 16 -8.580 5.300 8.867 105 HG23 ILE 16 3HG2 ILE 16 -8.911 3.694 9.516 106 HD11 ILE 16 1HD1 ILE 16 -9.033 5.972 7.033 107 HD12 ILE 16 2HD1 ILE 16 -8.096 6.372 5.593 108 HD13 ILE 16 3HD1 ILE 16 -9.080 4.909 5.626 109 H SER 17 H SER 17 -8.287 0.962 7.984 110 HA SER 17 HA SER 17 -8.917 0.470 10.577 111 HB2 SER 17 1HB SER 17 -9.898 -0.637 8.516 112 HB3 SER 17 2HB SER 17 -8.546 -1.768 8.579 113 HG SER 17 HG SER 17 -10.699 -2.213 9.738 114 H LEU 18 H LEU 18 -6.238 -1.041 8.795 115 HA LEU 18 HA LEU 18 -5.297 -2.677 10.856 116 HB2 LEU 18 1HB LEU 18 -4.063 -1.466 8.423 117 HB3 LEU 18 2HB LEU 18 -3.038 -2.298 9.592 118 HG LEU 18 HG LEU 18 -5.404 -3.576 8.230 119 HD11 LEU 18 1HD1 LEU 18 -3.960 -4.533 6.650 120 HD12 LEU 18 2HD1 LEU 18 -2.519 -4.020 7.528 121 HD13 LEU 18 3HD1 LEU 18 -3.516 -2.827 6.696 122 HD21 LEU 18 1HD2 LEU 18 -4.965 -5.400 9.441 123 HD22 LEU 18 2HD2 LEU 18 -4.030 -4.331 10.487 124 HD23 LEU 18 3HD2 LEU 18 -3.224 -5.242 9.208 125 H GLY 19 H GLY 19 -4.499 0.675 10.027 126 HA2 GLY 19 1HA GLY 19 -4.115 2.187 11.926 127 HA3 GLY 19 2HA GLY 19 -3.178 0.895 12.661 128 H VAL 20 H VAL 20 -3.076 1.952 9.291 129 HA VAL 20 HA VAL 20 -0.297 2.832 9.739 130 HB VAL 20 HB VAL 20 0.201 2.113 7.423 131 HG11 VAL 20 1HG1 VAL 20 -0.755 0.084 9.420 132 HG12 VAL 20 2HG1 VAL 20 0.023 -0.388 7.908 133 HG13 VAL 20 3HG1 VAL 20 0.895 0.603 9.078 134 HG21 VAL 20 1HG2 VAL 20 -1.363 0.608 6.273 135 HG22 VAL 20 2HG2 VAL 20 -2.556 0.890 7.541 136 HG23 VAL 20 3HG2 VAL 20 -2.047 2.218 6.499 137 H LEU 21 H LEU 21 -3.226 3.261 7.800 138 HA LEU 21 HA LEU 21 -2.212 5.828 6.821 139 HB2 LEU 21 1HB LEU 21 -3.166 4.253 5.196 140 HB3 LEU 21 2HB LEU 21 -4.699 4.300 6.064 141 HG LEU 21 HG LEU 21 -4.904 6.698 5.501 142 HD11 LEU 21 1HD1 LEU 21 -3.295 7.233 3.439 143 HD12 LEU 21 2HD1 LEU 21 -2.218 6.196 4.374 144 HD13 LEU 21 3HD1 LEU 21 -2.892 7.653 5.104 145 HD21 LEU 21 1HD2 LEU 21 -5.670 6.353 3.317 146 HD22 LEU 21 2HD2 LEU 21 -5.786 4.766 4.079 147 HD23 LEU 21 3HD2 LEU 21 -4.449 5.124 2.986 148 H GLU 22 H GLU 22 -3.160 7.767 7.293 149 HA GLU 22 HA GLU 22 -4.595 7.972 9.730 150 HB2 GLU 22 1HB GLU 22 -4.572 10.340 9.367 151 HB3 GLU 22 2HB GLU 22 -3.024 9.700 8.834 152 HG2 GLU 22 1HG GLU 22 -5.199 10.016 6.833 153 HG3 GLU 22 2HG GLU 22 -4.348 11.452 7.400 154 H SER 23 H SER 23 -6.700 8.897 10.056 155 HA SER 23 HA SER 23 -8.564 8.203 7.886 156 HB2 SER 23 1HB SER 23 -10.207 7.699 9.538 157 HB3 SER 23 2HB SER 23 -8.711 6.949 10.094 158 HG SER 23 HG SER 23 -9.480 8.008 11.840 159 HA PRO 24 HA PRO 24 -8.927 12.740 7.945 160 HB2 PRO 24 1HB PRO 24 -9.853 12.900 5.398 161 HB3 PRO 24 2HB PRO 24 -8.134 12.768 5.789 162 HG2 PRO 24 1HG PRO 24 -10.048 10.637 4.918 163 HG3 PRO 24 2HG PRO 24 -8.377 10.920 4.398 164 HD2 PRO 24 1HD PRO 24 -9.034 9.025 6.216 165 HD3 PRO 24 2HD PRO 24 -7.489 9.898 6.263 166 H LYS 25 H LYS 25 -10.697 13.995 8.315 167 HA LYS 25 HA LYS 25 -13.229 12.647 8.651 168 HB2 LYS 25 1HB LYS 25 -12.211 15.401 9.300 169 HB3 LYS 25 2HB LYS 25 -13.922 15.013 9.425 170 HG2 LYS 25 1HG LYS 25 -13.204 14.648 11.573 171 HG3 LYS 25 2HG LYS 25 -13.088 13.027 10.885 172 HD2 LYS 25 1HD LYS 25 -11.066 13.323 12.032 173 HD3 LYS 25 2HD LYS 25 -10.660 13.631 10.342 174 HE2 LYS 25 1HE LYS 25 -9.621 15.318 11.688 175 HE3 LYS 25 2HE LYS 25 -10.939 16.063 10.785 176 HZ1 LYS 25 1HZ LYS 25 -10.601 15.767 13.625 177 HZ2 LYS 25 2HZ LYS 25 -12.134 15.298 13.086 178 HZ3 LYS 25 3HZ LYS 25 -11.562 16.856 12.759 179 H LYS 26 H LYS 26 -12.655 12.595 6.007 180 HA LYS 26 HA LYS 26 -14.777 14.270 4.913 181 HB2 LYS 26 1HB LYS 26 -11.945 14.221 3.871 182 HB3 LYS 26 2HB LYS 26 -13.308 14.770 2.904 183 HG2 LYS 26 1HG LYS 26 -13.764 16.535 4.508 184 HG3 LYS 26 2HG LYS 26 -12.441 15.966 5.529 185 HD2 LYS 26 1HD LYS 26 -10.837 16.473 3.781 186 HD3 LYS 26 2HD LYS 26 -12.141 16.955 2.693 187 HE2 LYS 26 1HE LYS 26 -11.891 18.295 5.345 188 HE3 LYS 26 2HE LYS 26 -10.783 18.746 4.051 189 HZ1 LYS 26 1HZ LYS 26 -12.586 20.206 3.875 190 HZ2 LYS 26 2HZ LYS 26 -13.732 18.981 4.094 191 HZ3 LYS 26 3HZ LYS 26 -12.848 19.066 2.653 192 H THR 27 H THR 27 -14.999 13.636 2.441 193 HA THR 27 HA THR 27 -14.947 10.692 2.341 194 HB THR 27 HB THR 27 -16.784 12.249 0.581 195 HG1 THR 27 1HG THR 27 -17.644 11.562 3.174 196 HG21 THR 27 1HG2 THR 27 -16.621 9.811 0.383 197 HG22 THR 27 2HG2 THR 27 -18.222 10.301 0.936 198 HG23 THR 27 3HG2 THR 27 -17.056 9.642 2.083 199 H ILE 28 H ILE 28 -13.382 9.980 1.052 200 HA ILE 28 HA ILE 28 -12.297 11.592 -1.068 201 HB ILE 28 HB ILE 28 -11.717 8.712 -0.367 202 HG12 ILE 28 1HG1 ILE 28 -9.862 10.968 0.253 203 HG13 ILE 28 2HG1 ILE 28 -11.259 10.729 1.298 204 HG21 ILE 28 1HG2 ILE 28 -10.777 8.797 -2.418 205 HG22 ILE 28 2HG2 ILE 28 -10.686 10.557 -2.423 206 HG23 ILE 28 3HG2 ILE 28 -9.479 9.614 -1.550 207 HD11 ILE 28 1HD1 ILE 28 -10.412 8.258 1.352 208 HD12 ILE 28 2HD1 ILE 28 -8.880 8.997 0.886 209 HD13 ILE 28 3HD1 ILE 28 -9.678 9.488 2.380 210 H CYS 29 H CYS 29 -13.989 11.872 -2.537 211 HA CYS 29 HA CYS 29 -15.597 9.841 -3.592 212 HB2 CYS 29 1HB CYS 29 -14.809 12.579 -4.501 213 HB3 CYS 29 2HB CYS 29 -15.656 11.524 -5.626 214 HG CYS 29 HG CYS 29 -16.876 12.319 -2.531 215 H ASP 30 H ASP 30 -12.499 11.143 -4.709 216 HA ASP 30 HA ASP 30 -12.343 8.937 -6.653 217 HB2 ASP 30 1HB ASP 30 -10.709 11.479 -6.664 218 HB3 ASP 30 2HB ASP 30 -10.826 10.278 -7.947 219 HA PRO 31 HA PRO 31 -9.319 7.813 -3.367 220 HB2 PRO 31 1HB PRO 31 -9.759 5.142 -3.582 221 HB3 PRO 31 2HB PRO 31 -10.756 6.203 -2.578 222 HG2 PRO 31 1HG PRO 31 -11.289 5.145 -5.328 223 HG3 PRO 31 2HG PRO 31 -12.395 5.282 -3.948 224 HD2 PRO 31 1HD PRO 31 -12.381 7.064 -5.987 225 HD3 PRO 31 2HD PRO 31 -12.781 7.524 -4.319 226 H GLU 32 H GLU 32 -9.742 7.043 -6.698 227 HA GLU 32 HA GLU 32 -7.559 5.359 -7.162 228 HB2 GLU 32 1HB GLU 32 -9.418 5.982 -8.776 229 HB3 GLU 32 2HB GLU 32 -8.536 7.473 -9.078 230 HG2 GLU 32 1HG GLU 32 -6.652 6.249 -9.930 231 HG3 GLU 32 2HG GLU 32 -7.408 4.716 -9.498 232 H GLU 33 H GLU 33 -7.770 8.899 -7.162 233 HA GLU 33 HA GLU 33 -4.965 9.206 -7.749 234 HB2 GLU 33 1HB GLU 33 -7.181 11.127 -7.075 235 HB3 GLU 33 2HB GLU 33 -5.510 11.658 -7.194 236 HG2 GLU 33 1HG GLU 33 -7.208 10.455 -9.361 237 HG3 GLU 33 2HG GLU 33 -6.573 12.097 -9.273 238 H PHE 34 H PHE 34 -7.060 9.696 -4.927 239 HA PHE 34 HA PHE 34 -5.223 10.705 -3.135 240 HB2 PHE 34 1HB PHE 34 -7.573 10.546 -2.573 241 HB3 PHE 34 2HB PHE 34 -7.506 8.788 -2.628 242 HD1 PHE 34 2HD PHE 34 -6.462 11.772 -0.746 243 HD2 PHE 34 1HD PHE 34 -6.712 7.523 -0.782 244 HE1 PHE 34 2HE PHE 34 -5.925 11.723 1.655 245 HE2 PHE 34 1HE PHE 34 -6.176 7.468 1.619 246 HZ PHE 34 HZ PHE 34 -5.781 9.569 2.840 247 H LEU 35 H LEU 35 -5.997 7.275 -3.703 248 HA LEU 35 HA LEU 35 -4.213 6.147 -1.908 249 HB2 LEU 35 1HB LEU 35 -5.416 5.232 -4.479 250 HB3 LEU 35 2HB LEU 35 -4.162 4.253 -3.720 251 HG LEU 35 HG LEU 35 -6.677 5.070 -2.283 252 HD11 LEU 35 1HD1 LEU 35 -6.831 3.605 -4.497 253 HD12 LEU 35 2HD1 LEU 35 -7.831 3.288 -3.080 254 HD13 LEU 35 3HD1 LEU 35 -6.379 2.330 -3.366 255 HD21 LEU 35 1HD2 LEU 35 -4.417 4.131 -1.232 256 HD22 LEU 35 2HD2 LEU 35 -5.152 2.598 -1.699 257 HD23 LEU 35 3HD2 LEU 35 -6.007 3.691 -0.609 258 H LYS 36 H LYS 36 -3.671 6.617 -5.405 259 HA LYS 36 HA LYS 36 -1.058 5.834 -5.587 260 HB2 LYS 36 1HB LYS 36 -2.324 8.193 -6.993 261 HB3 LYS 36 2HB LYS 36 -0.848 7.380 -7.497 262 HG2 LYS 36 1HG LYS 36 -1.965 5.517 -8.246 263 HG3 LYS 36 2HG LYS 36 -3.357 5.798 -7.197 264 HD2 LYS 36 1HD LYS 36 -4.222 6.399 -9.241 265 HD3 LYS 36 2HD LYS 36 -3.633 7.957 -8.658 266 HE2 LYS 36 1HE LYS 36 -1.951 6.145 -10.366 267 HE3 LYS 36 2HE LYS 36 -3.069 7.317 -11.062 268 HZ1 LYS 36 1HZ LYS 36 -0.573 7.770 -9.599 269 HZ2 LYS 36 2HZ LYS 36 -1.802 8.923 -9.449 270 HZ3 LYS 36 3HZ LYS 36 -1.174 8.551 -10.975 271 H SER 37 H SER 37 -2.265 9.009 -4.579 272 HA SER 37 HA SER 37 0.219 10.288 -4.337 273 HB2 SER 37 1HB SER 37 -2.464 10.745 -3.049 274 HB3 SER 37 2HB SER 37 -1.070 11.741 -2.629 275 HG SER 37 HG SER 37 -0.901 12.031 -5.019 276 H SER 38 H SER 38 -1.570 8.222 -2.131 277 HA SER 38 HA SER 38 0.188 8.695 0.092 278 HB2 SER 38 1HB SER 38 -2.115 6.848 -0.439 279 HB3 SER 38 2HB SER 38 -1.069 6.562 0.952 280 HG SER 38 HG SER 38 -2.928 8.549 0.515 281 H LEU 39 H LEU 39 -0.500 5.777 -1.846 282 HA LEU 39 HA LEU 39 1.584 4.213 -0.901 283 HB2 LEU 39 1HB LEU 39 0.548 4.176 -3.727 284 HB3 LEU 39 2HB LEU 39 1.287 2.845 -2.840 285 HG LEU 39 HG LEU 39 -1.341 4.083 -2.047 286 HD11 LEU 39 1HD1 LEU 39 -2.034 3.235 -4.031 287 HD12 LEU 39 2HD1 LEU 39 -2.082 1.746 -3.089 288 HD13 LEU 39 3HD1 LEU 39 -0.703 2.083 -4.135 289 HD21 LEU 39 1HD2 LEU 39 -1.177 2.739 -0.292 290 HD22 LEU 39 2HD2 LEU 39 0.404 2.189 -0.849 291 HD23 LEU 39 3HD2 LEU 39 -1.056 1.344 -1.365 292 H LYS 40 H LYS 40 1.575 6.669 -3.411 293 HA LYS 40 HA LYS 40 3.900 6.236 -4.756 294 HB2 LYS 40 1HB LYS 40 2.551 8.106 -5.352 295 HB3 LYS 40 2HB LYS 40 2.724 8.827 -3.757 296 HG2 LYS 40 1HG LYS 40 5.033 9.331 -4.172 297 HG3 LYS 40 2HG LYS 40 4.989 8.458 -5.705 298 HD2 LYS 40 1HD LYS 40 3.572 10.073 -6.692 299 HD3 LYS 40 2HD LYS 40 3.207 10.815 -5.133 300 HE2 LYS 40 1HE LYS 40 5.533 11.555 -4.946 301 HE3 LYS 40 2HE LYS 40 5.896 10.810 -6.502 302 HZ1 LYS 40 1HZ LYS 40 5.408 13.296 -6.454 303 HZ2 LYS 40 2HZ LYS 40 3.788 12.862 -6.244 304 HZ3 LYS 40 3HZ LYS 40 4.621 12.372 -7.632 305 H ASN 41 H ASN 41 3.663 8.094 -1.718 306 HA ASN 41 HA ASN 41 6.317 8.635 -1.295 307 HB2 ASN 41 1HB ASN 41 4.022 8.124 0.556 308 HB3 ASN 41 2HB ASN 41 5.639 8.303 1.231 309 HD21 ASN 41 1HD2 ASN 41 5.291 10.221 2.246 310 HD22 ASN 41 2HD2 ASN 41 4.991 11.703 1.412 311 H GLY 42 H GLY 42 4.572 5.651 -0.518 312 HA2 GLY 42 1HA GLY 42 5.542 3.500 -0.587 313 HA3 GLY 42 2HA GLY 42 7.132 4.238 -0.468 314 H VAL 43 H VAL 43 6.257 5.943 1.797 315 HA VAL 43 HA VAL 43 7.090 4.290 3.906 316 HB VAL 43 HB VAL 43 7.343 6.718 3.989 317 HG11 VAL 43 1HG1 VAL 43 4.796 6.852 3.066 318 HG12 VAL 43 2HG1 VAL 43 4.562 7.246 4.770 319 HG13 VAL 43 3HG1 VAL 43 5.669 8.204 3.785 320 HG21 VAL 43 1HG2 VAL 43 5.855 5.303 6.152 321 HG22 VAL 43 2HG2 VAL 43 7.525 5.869 6.120 322 HG23 VAL 43 3HG2 VAL 43 6.207 7.022 6.329 323 H VAL 44 H VAL 44 3.904 5.111 2.701 324 HA VAL 44 HA VAL 44 2.427 4.143 4.922 325 HB VAL 44 HB VAL 44 1.642 4.563 2.039 326 HG11 VAL 44 1HG1 VAL 44 0.196 3.278 4.245 327 HG12 VAL 44 2HG1 VAL 44 -0.701 4.553 3.416 328 HG13 VAL 44 3HG1 VAL 44 -0.068 3.182 2.504 329 HG21 VAL 44 1HG2 VAL 44 0.233 6.364 3.400 330 HG22 VAL 44 2HG2 VAL 44 1.593 6.200 4.511 331 HG23 VAL 44 3HG2 VAL 44 1.875 6.681 2.838 332 H LEU 45 H LEU 45 3.635 2.657 1.970 333 HA LEU 45 HA LEU 45 2.231 0.196 2.307 334 HB2 LEU 45 1HB LEU 45 4.633 0.942 0.651 335 HB3 LEU 45 2HB LEU 45 3.863 -0.643 0.600 336 HG LEU 45 HG LEU 45 2.286 1.836 0.011 337 HD11 LEU 45 1HD1 LEU 45 3.128 2.114 -2.047 338 HD12 LEU 45 2HD1 LEU 45 3.356 0.384 -2.299 339 HD13 LEU 45 3HD1 LEU 45 4.552 1.308 -1.390 340 HD21 LEU 45 1HD2 LEU 45 1.543 -0.283 -1.625 341 HD22 LEU 45 2HD2 LEU 45 0.702 0.286 -0.183 342 HD23 LEU 45 3HD2 LEU 45 1.877 -1.025 -0.060 343 H CYS 46 H CYS 46 5.419 1.385 3.208 344 HA CYS 46 HA CYS 46 6.582 -1.039 3.978 345 HB2 CYS 46 1HB CYS 46 7.029 1.746 5.070 346 HB3 CYS 46 2HB CYS 46 8.068 0.366 5.402 347 HG CYS 46 HG CYS 46 7.670 2.042 2.464 348 H LYS 47 H LYS 47 4.693 1.300 5.865 349 HA LYS 47 HA LYS 47 4.860 -0.094 8.317 350 HB2 LYS 47 1HB LYS 47 2.872 1.932 7.288 351 HB3 LYS 47 2HB LYS 47 2.848 1.306 8.931 352 HG2 LYS 47 1HG LYS 47 5.192 2.143 9.190 353 HG3 LYS 47 2HG LYS 47 5.011 2.935 7.623 354 HD2 LYS 47 1HD LYS 47 3.347 4.382 8.423 355 HD3 LYS 47 2HD LYS 47 3.053 3.392 9.855 356 HE2 LYS 47 1HE LYS 47 5.754 4.587 9.445 357 HE3 LYS 47 2HE LYS 47 4.440 5.619 10.008 358 HZ1 LYS 47 1HZ LYS 47 4.414 3.243 11.495 359 HZ2 LYS 47 2HZ LYS 47 4.718 4.816 12.036 360 HZ3 LYS 47 3HZ LYS 47 5.996 3.845 11.500 361 H LEU 48 H LEU 48 2.797 -0.417 5.535 362 HA LEU 48 HA LEU 48 0.689 -1.862 6.729 363 HB2 LEU 48 1HB LEU 48 0.374 -0.895 4.574 364 HB3 LEU 48 2HB LEU 48 1.742 -1.787 3.911 365 HG LEU 48 HG LEU 48 0.448 -3.888 4.222 366 HD11 LEU 48 1HD1 LEU 48 -1.438 -1.987 5.435 367 HD12 LEU 48 2HD1 LEU 48 -1.210 -3.711 5.730 368 HD13 LEU 48 3HD1 LEU 48 -2.153 -3.172 4.341 369 HD21 LEU 48 1HD2 LEU 48 0.097 -1.835 2.286 370 HD22 LEU 48 2HD2 LEU 48 -1.456 -2.630 2.544 371 HD23 LEU 48 3HD2 LEU 48 -0.043 -3.581 2.082 372 H ILE 49 H ILE 49 3.310 -3.116 4.654 373 HA ILE 49 HA ILE 49 2.889 -5.809 5.097 374 HB ILE 49 HB ILE 49 4.471 -4.864 3.424 375 HG12 ILE 49 1HG1 ILE 49 6.235 -6.651 3.760 376 HG13 ILE 49 2HG1 ILE 49 5.472 -7.004 5.306 377 HG21 ILE 49 1HG2 ILE 49 5.692 -3.238 4.567 378 HG22 ILE 49 2HG2 ILE 49 6.082 -4.331 5.895 379 HG23 ILE 49 3HG2 ILE 49 6.854 -4.542 4.323 380 HD11 ILE 49 1HD1 ILE 49 3.389 -7.543 4.137 381 HD12 ILE 49 2HD1 ILE 49 4.187 -7.228 2.596 382 HD13 ILE 49 3HD1 ILE 49 4.732 -8.559 3.615 383 H ASN 50 H ASN 50 4.405 -3.451 7.161 384 HA ASN 50 HA ASN 50 5.745 -5.269 8.882 385 HB2 ASN 50 1HB ASN 50 5.014 -2.381 8.970 386 HB3 ASN 50 2HB ASN 50 5.426 -3.166 10.492 387 HD21 ASN 50 1HD2 ASN 50 6.745 -1.150 8.605 388 HD22 ASN 50 2HD2 ASN 50 8.364 -1.737 8.463 389 H ARG 51 H ARG 51 2.572 -3.698 8.997 390 HA ARG 51 HA ARG 51 1.829 -4.736 11.528 391 HB2 ARG 51 1HB ARG 51 0.786 -2.760 10.347 392 HB3 ARG 51 2HB ARG 51 -0.039 -3.912 9.305 393 HG2 ARG 51 1HG ARG 51 -1.665 -3.590 10.853 394 HG3 ARG 51 2HG ARG 51 -0.799 -4.916 11.633 395 HD2 ARG 51 1HD ARG 51 0.205 -3.514 13.186 396 HD3 ARG 51 2HD ARG 51 -0.035 -2.078 12.190 397 HE ARG 51 HE ARG 51 -2.558 -2.831 12.777 398 HH11 ARG 51 1HH1 ARG 51 0.272 -2.288 14.729 399 HH12 ARG 51 2HH1 ARG 51 -0.625 -1.779 16.121 400 HH21 ARG 51 1HH2 ARG 51 -3.751 -2.162 14.603 401 HH22 ARG 51 2HH2 ARG 51 -2.914 -1.709 16.048 402 H LEU 52 H LEU 52 1.600 -5.948 8.256 403 HA LEU 52 HA LEU 52 -0.203 -8.083 8.871 404 HB2 LEU 52 1HB LEU 52 1.682 -7.873 6.532 405 HB3 LEU 52 2HB LEU 52 0.230 -8.866 6.647 406 HG LEU 52 HG LEU 52 0.258 -5.849 6.596 407 HD11 LEU 52 1HD1 LEU 52 0.038 -5.875 4.359 408 HD12 LEU 52 2HD1 LEU 52 -0.897 -7.370 4.360 409 HD13 LEU 52 3HD1 LEU 52 0.861 -7.429 4.491 410 HD21 LEU 52 1HD2 LEU 52 -1.718 -6.355 7.645 411 HD22 LEU 52 2HD2 LEU 52 -1.873 -7.918 6.843 412 HD23 LEU 52 3HD2 LEU 52 -2.218 -6.433 5.956 413 H MET 53 H MET 53 3.290 -7.953 8.173 414 HA MET 53 HA MET 53 3.567 -10.509 9.615 415 HB2 MET 53 1HB MET 53 5.250 -9.485 7.321 416 HB3 MET 53 2HB MET 53 5.512 -10.992 8.188 417 HG2 MET 53 1HG MET 53 2.911 -10.443 6.819 418 HG3 MET 53 2HG MET 53 4.302 -11.047 5.922 419 HE1 MET 53 1HE MET 53 3.235 -14.109 5.529 420 HE2 MET 53 2HE MET 53 4.567 -12.968 5.346 421 HE3 MET 53 3HE MET 53 4.751 -14.380 6.389 422 HA PRO 54 HA PRO 54 6.091 -8.223 12.434 423 HB2 PRO 54 1HB PRO 54 7.190 -10.343 13.725 424 HB3 PRO 54 2HB PRO 54 5.522 -9.820 13.985 425 HG2 PRO 54 1HG PRO 54 6.566 -12.042 12.272 426 HG3 PRO 54 2HG PRO 54 5.161 -12.029 13.354 427 HD2 PRO 54 1HD PRO 54 4.937 -11.738 10.671 428 HD3 PRO 54 2HD PRO 54 3.827 -10.954 11.813 429 H GLY 55 H GLY 55 7.779 -7.205 11.491 430 HA2 GLY 55 1HA GLY 55 10.071 -6.936 11.126 431 HA3 GLY 55 2HA GLY 55 10.268 -8.680 11.229 432 H SER 56 H SER 56 8.451 -6.440 9.128 433 HA SER 56 HA SER 56 9.169 -8.073 6.824 434 HB2 SER 56 1HB SER 56 7.383 -5.632 6.954 435 HB3 SER 56 2HB SER 56 7.531 -6.754 5.601 436 HG SER 56 HG SER 56 5.884 -6.920 7.641 437 H VAL 57 H VAL 57 9.352 -4.653 7.801 438 HA VAL 57 HA VAL 57 11.437 -4.246 5.768 439 HB VAL 57 HB VAL 57 9.716 -2.241 7.230 440 HG11 VAL 57 1HG1 VAL 57 10.824 -0.503 6.056 441 HG12 VAL 57 2HG1 VAL 57 12.084 -1.494 6.794 442 HG13 VAL 57 3HG1 VAL 57 11.731 -1.652 5.073 443 HG21 VAL 57 1HG2 VAL 57 9.761 -2.363 4.290 444 HG22 VAL 57 2HG2 VAL 57 9.042 -3.758 5.094 445 HG23 VAL 57 3HG2 VAL 57 8.406 -2.141 5.398 446 H GLU 58 H GLU 58 13.444 -3.490 6.304 447 HA GLU 58 HA GLU 58 14.266 -3.861 9.040 448 HB2 GLU 58 1HB GLU 58 15.746 -3.149 6.512 449 HB3 GLU 58 2HB GLU 58 16.538 -3.207 8.081 450 HG2 GLU 58 1HG GLU 58 15.038 -5.526 6.897 451 HG3 GLU 58 2HG GLU 58 16.767 -5.266 6.678 452 H LYS 59 H LYS 59 14.221 -1.155 6.738 453 HA LYS 59 HA LYS 59 13.674 0.743 8.791 454 HB2 LYS 59 1HB LYS 59 15.770 2.080 8.466 455 HB3 LYS 59 2HB LYS 59 16.001 0.559 9.318 456 HG2 LYS 59 1HG LYS 59 16.851 -0.472 7.288 457 HG3 LYS 59 2HG LYS 59 16.577 1.027 6.398 458 HD2 LYS 59 1HD LYS 59 18.291 2.144 7.509 459 HD3 LYS 59 2HD LYS 59 18.296 0.999 8.853 460 HE2 LYS 59 1HE LYS 59 19.367 -0.661 7.559 461 HE3 LYS 59 2HE LYS 59 19.067 0.210 6.056 462 HZ1 LYS 59 1HZ LYS 59 21.342 0.319 7.575 463 HZ2 LYS 59 2HZ LYS 59 20.559 1.781 7.908 464 HZ3 LYS 59 3HZ LYS 59 20.930 1.365 6.310 465 H PHE 60 H PHE 60 12.358 2.133 7.833 466 HA PHE 60 HA PHE 60 12.865 2.836 5.016 467 HB2 PHE 60 1HB PHE 60 10.453 3.075 4.708 468 HB3 PHE 60 2HB PHE 60 10.841 1.453 5.273 469 HD1 PHE 60 2HD PHE 60 10.461 0.883 7.683 470 HD2 PHE 60 1HD PHE 60 9.016 4.477 5.921 471 HE1 PHE 60 2HE PHE 60 8.869 1.149 9.540 472 HE2 PHE 60 1HE PHE 60 7.422 4.750 7.776 473 HZ PHE 60 HZ PHE 60 7.346 3.083 9.588 474 H CYS 61 H CYS 61 11.316 4.916 4.574 475 HA CYS 61 HA CYS 61 12.259 6.919 6.506 476 HB2 CYS 61 1HB CYS 61 12.822 6.906 3.923 477 HB3 CYS 61 2HB CYS 61 11.238 7.661 3.797 478 HG CYS 61 HG CYS 61 12.001 9.722 5.676 479 H LEU 62 H LEU 62 10.807 7.778 7.822 480 HA LEU 62 HA LEU 62 8.025 7.287 7.574 481 HB2 LEU 62 1HB LEU 62 9.636 9.093 9.356 482 HB3 LEU 62 2HB LEU 62 7.880 8.985 9.457 483 HG LEU 62 HG LEU 62 9.823 6.727 9.940 484 HD11 LEU 62 1HD1 LEU 62 9.350 8.773 11.616 485 HD12 LEU 62 2HD1 LEU 62 9.684 7.127 12.153 486 HD13 LEU 62 3HD1 LEU 62 8.020 7.702 12.057 487 HD21 LEU 62 1HD2 LEU 62 7.265 6.149 10.947 488 HD22 LEU 62 2HD2 LEU 62 8.103 5.366 9.606 489 HD23 LEU 62 3HD2 LEU 62 7.030 6.733 9.299 490 H ASP 63 H ASP 63 10.016 10.186 7.092 491 HA ASP 63 HA ASP 63 7.821 11.317 5.493 492 HB2 ASP 63 1HB ASP 63 9.345 12.570 7.735 493 HB3 ASP 63 2HB ASP 63 8.848 13.588 6.386 494 HA PRO 64 HA PRO 64 11.575 11.158 2.876 495 HB2 PRO 64 1HB PRO 64 10.197 10.783 0.567 496 HB3 PRO 64 2HB PRO 64 10.622 9.459 1.657 497 HG2 PRO 64 1HG PRO 64 8.030 10.930 1.386 498 HG3 PRO 64 2HG PRO 64 8.314 9.190 1.575 499 HD2 PRO 64 1HD PRO 64 7.566 10.776 3.638 500 HD3 PRO 64 2HD PRO 64 8.612 9.358 3.854 501 H GLN 65 H GLN 65 12.167 13.303 3.014 502 HA GLN 65 HA GLN 65 10.567 15.459 2.108 503 HB2 GLN 65 1HB GLN 65 13.538 15.271 2.620 504 HB3 GLN 65 2HB GLN 65 12.692 16.772 2.267 505 HG2 GLN 65 1HG GLN 65 11.250 16.288 4.279 506 HG3 GLN 65 2HG GLN 65 12.390 15.002 4.672 507 HE21 GLN 65 1HE2 GLN 65 11.627 17.713 5.862 508 HE22 GLN 65 2HE2 GLN 65 13.152 18.460 6.176 509 H THR 66 H THR 66 12.948 13.406 0.576 510 HA THR 66 HA THR 66 12.441 14.811 -1.966 511 HB THR 66 HB THR 66 14.695 14.247 -2.709 512 HG1 THR 66 1HG THR 66 16.145 13.252 -1.289 513 HG21 THR 66 1HG2 THR 66 14.109 16.005 -0.481 514 HG22 THR 66 2HG2 THR 66 15.145 16.273 -1.882 515 HG23 THR 66 3HG2 THR 66 15.785 15.459 -0.455 516 H GLU 67 H GLU 67 13.028 13.347 -3.888 517 HA GLU 67 HA GLU 67 11.329 11.128 -3.882 518 HB2 GLU 67 1HB GLU 67 11.796 12.168 -5.964 519 HB3 GLU 67 2HB GLU 67 13.531 11.977 -5.754 520 HG2 GLU 67 1HG GLU 67 13.104 9.472 -5.828 521 HG3 GLU 67 2HG GLU 67 11.493 9.881 -6.416 522 H ALA 68 H ALA 68 14.893 11.196 -3.955 523 HA ALA 68 HA ALA 68 15.547 8.585 -3.942 524 HB1 ALA 68 1HB ALA 68 17.236 9.494 -1.986 525 HB2 ALA 68 2HB ALA 68 17.482 9.683 -3.723 526 HB3 ALA 68 3HB ALA 68 16.744 10.985 -2.791 527 H ASP 69 H ASP 69 14.165 10.355 -1.236 528 HA ASP 69 HA ASP 69 14.471 8.228 0.651 529 HB2 ASP 69 1HB ASP 69 13.042 10.855 0.614 530 HB3 ASP 69 2HB ASP 69 12.623 9.675 1.853 531 H CYS 70 H CYS 70 11.894 9.331 -1.484 532 HA CYS 70 HA CYS 70 9.864 7.648 -0.469 533 HB2 CYS 70 1HB CYS 70 10.225 8.958 -3.167 534 HB3 CYS 70 2HB CYS 70 8.780 8.063 -2.714 535 HG CYS 70 HG CYS 70 8.396 10.890 -2.569 536 H ILE 71 H ILE 71 11.861 7.323 -3.408 537 HA ILE 71 HA ILE 71 11.018 4.889 -4.311 538 HB ILE 71 HB ILE 71 13.867 5.889 -4.256 539 HG12 ILE 71 1HG1 ILE 71 12.538 7.473 -5.420 540 HG13 ILE 71 2HG1 ILE 71 13.283 6.478 -6.666 541 HG21 ILE 71 1HG2 ILE 71 13.888 3.532 -4.682 542 HG22 ILE 71 2HG2 ILE 71 12.584 3.685 -5.858 543 HG23 ILE 71 3HG2 ILE 71 14.170 4.372 -6.207 544 HD11 ILE 71 1HD1 ILE 71 11.091 5.118 -6.548 545 HD12 ILE 71 2HD1 ILE 71 10.443 6.557 -5.760 546 HD13 ILE 71 3HD1 ILE 71 11.106 6.666 -7.391 547 H ASN 72 H ASN 72 13.375 5.501 -1.740 548 HA ASN 72 HA ASN 72 14.220 2.891 -1.285 549 HB2 ASN 72 1HB ASN 72 14.050 5.356 0.393 550 HB3 ASN 72 2HB ASN 72 14.405 3.826 1.190 551 HD21 ASN 72 1HD2 ASN 72 15.800 6.465 -0.027 552 HD22 ASN 72 2HD2 ASN 72 17.330 5.822 -0.508 553 H ASN 73 H ASN 73 11.561 4.658 0.299 554 HA ASN 73 HA ASN 73 10.662 2.663 1.986 555 HB2 ASN 73 1HB ASN 73 8.987 4.702 0.503 556 HB3 ASN 73 2HB ASN 73 8.478 3.802 1.929 557 HD21 ASN 73 1HD2 ASN 73 8.265 6.381 2.187 558 HD22 ASN 73 2HD2 ASN 73 9.533 7.059 3.145 559 H ILE 74 H ILE 74 9.442 3.376 -1.290 560 HA ILE 74 HA ILE 74 7.625 1.333 -1.553 561 HB ILE 74 HB ILE 74 9.467 2.405 -3.693 562 HG12 ILE 74 1HG1 ILE 74 6.601 3.161 -3.117 563 HG13 ILE 74 2HG1 ILE 74 7.974 4.040 -2.453 564 HG21 ILE 74 1HG2 ILE 74 7.804 1.590 -5.286 565 HG22 ILE 74 2HG2 ILE 74 8.486 0.267 -4.341 566 HG23 ILE 74 3HG2 ILE 74 6.877 0.883 -3.962 567 HD11 ILE 74 1HD1 ILE 74 6.812 4.863 -4.624 568 HD12 ILE 74 2HD1 ILE 74 8.571 4.907 -4.493 569 HD13 ILE 74 3HD1 ILE 74 7.786 3.611 -5.395 570 H ASN 75 H ASN 75 10.972 1.177 -2.789 571 HA ASN 75 HA ASN 75 11.071 -1.454 -3.510 572 HB2 ASN 75 1HB ASN 75 13.123 0.446 -2.460 573 HB3 ASN 75 2HB ASN 75 13.565 -1.249 -2.638 574 HD21 ASN 75 1HD2 ASN 75 12.605 1.655 -4.291 575 HD22 ASN 75 2HD2 ASN 75 13.059 1.141 -5.878 576 H ASP 76 H ASP 76 11.642 -0.129 -0.269 577 HA ASP 76 HA ASP 76 12.355 -2.477 1.036 578 HB2 ASP 76 1HB ASP 76 10.712 -0.222 2.203 579 HB3 ASP 76 2HB ASP 76 11.706 -1.371 3.094 580 H PHE 77 H PHE 77 9.108 -1.021 0.801 581 HA PHE 77 HA PHE 77 7.643 -2.914 2.132 582 HB2 PHE 77 1HB PHE 77 6.435 -1.041 1.439 583 HB3 PHE 77 2HB PHE 77 7.004 -1.167 -0.222 584 HD1 PHE 77 1HD PHE 77 5.152 -3.340 2.187 585 HD2 PHE 77 2HD PHE 77 5.390 -1.721 -1.742 586 HE1 PHE 77 1HE PHE 77 3.085 -4.528 1.576 587 HE2 PHE 77 2HE PHE 77 3.324 -2.905 -2.359 588 HZ PHE 77 HZ PHE 77 2.168 -4.310 -0.699 589 H LEU 78 H LEU 78 8.790 -3.028 -1.204 590 HA LEU 78 HA LEU 78 7.421 -5.343 -2.007 591 HB2 LEU 78 1HB LEU 78 10.085 -4.268 -2.920 592 HB3 LEU 78 2HB LEU 78 9.169 -5.527 -3.744 593 HG LEU 78 HG LEU 78 8.162 -2.716 -3.331 594 HD11 LEU 78 1HD1 LEU 78 9.300 -3.867 -5.866 595 HD12 LEU 78 2HD1 LEU 78 10.241 -2.885 -4.743 596 HD13 LEU 78 3HD1 LEU 78 8.826 -2.199 -5.541 597 HD21 LEU 78 1HD2 LEU 78 6.763 -4.979 -3.917 598 HD22 LEU 78 2HD2 LEU 78 7.153 -4.373 -5.527 599 HD23 LEU 78 3HD2 LEU 78 6.286 -3.346 -4.384 600 H LYS 79 H LYS 79 10.690 -4.941 -0.667 601 HA LYS 79 HA LYS 79 11.752 -7.399 -0.746 602 HB2 LYS 79 1HB LYS 79 11.645 -5.587 1.670 603 HB3 LYS 79 2HB LYS 79 12.712 -6.979 1.534 604 HG2 LYS 79 1HG LYS 79 13.428 -5.761 -0.699 605 HG3 LYS 79 2HG LYS 79 12.839 -4.345 0.175 606 HD2 LYS 79 1HD LYS 79 14.664 -6.225 1.589 607 HD3 LYS 79 2HD LYS 79 15.350 -5.146 0.372 608 HE2 LYS 79 1HE LYS 79 13.519 -4.022 2.439 609 HE3 LYS 79 2HE LYS 79 15.176 -4.416 2.892 610 HZ1 LYS 79 1HZ LYS 79 15.897 -3.024 0.976 611 HZ2 LYS 79 2HZ LYS 79 15.131 -2.161 2.211 612 HZ3 LYS 79 3HZ LYS 79 14.292 -2.523 0.788 613 H GLY 80 H GLY 80 9.057 -6.436 1.303 614 HA2 GLY 80 1HA GLY 80 8.955 -9.023 2.616 615 HA3 GLY 80 2HA GLY 80 7.855 -7.676 2.872 616 H CYS 81 H CYS 81 7.120 -7.268 0.159 617 HA CYS 81 HA CYS 81 4.898 -8.855 -0.096 618 HB2 CYS 81 1HB CYS 81 4.574 -7.897 -2.184 619 HB3 CYS 81 2HB CYS 81 5.655 -6.736 -1.422 620 HG CYS 81 HG CYS 81 7.925 -7.544 -2.755 621 H ALA 82 H ALA 82 8.103 -9.396 -1.508 622 HA ALA 82 HA ALA 82 7.663 -11.535 -3.141 623 HB1 ALA 82 1HB ALA 82 9.857 -11.097 -3.249 624 HB2 ALA 82 2HB ALA 82 9.933 -10.565 -1.568 625 HB3 ALA 82 3HB ALA 82 10.000 -12.285 -1.952 626 H THR 83 H THR 83 7.993 -11.596 0.384 627 HA THR 83 HA THR 83 8.067 -14.306 0.856 628 HB THR 83 HB THR 83 6.570 -12.236 2.476 629 HG1 THR 83 1HG THR 83 8.797 -11.766 2.230 630 HG21 THR 83 1HG2 THR 83 6.881 -15.093 2.800 631 HG22 THR 83 2HG2 THR 83 5.906 -13.957 3.733 632 HG23 THR 83 3HG2 THR 83 7.599 -14.217 4.151 633 H LEU 84 H LEU 84 5.240 -12.276 0.221 634 HA LEU 84 HA LEU 84 3.343 -14.371 0.609 635 HB2 LEU 84 1HB LEU 84 3.146 -11.699 -0.767 636 HB3 LEU 84 2HB LEU 84 1.778 -12.787 -0.538 637 HG LEU 84 HG LEU 84 3.347 -11.863 1.834 638 HD11 LEU 84 1HD1 LEU 84 2.933 -9.780 0.832 639 HD12 LEU 84 2HD1 LEU 84 1.627 -10.000 1.996 640 HD13 LEU 84 3HD1 LEU 84 1.331 -10.269 0.279 641 HD21 LEU 84 1HD2 LEU 84 1.607 -12.653 3.019 642 HD22 LEU 84 2HD2 LEU 84 1.277 -13.585 1.559 643 HD23 LEU 84 3HD2 LEU 84 0.415 -12.075 1.855 644 H GLN 85 H GLN 85 5.377 -13.416 -1.989 645 HA GLN 85 HA GLN 85 5.675 -14.195 -4.105 646 HB2 GLN 85 1HB GLN 85 4.170 -16.516 -2.904 647 HB3 GLN 85 2HB GLN 85 4.817 -16.546 -4.539 648 HG2 GLN 85 1HG GLN 85 7.070 -16.147 -3.620 649 HG3 GLN 85 2HG GLN 85 6.391 -16.224 -1.995 650 HE21 GLN 85 1HE2 GLN 85 8.373 -17.911 -2.559 651 HE22 GLN 85 2HE2 GLN 85 7.789 -19.526 -2.744 652 H VAL 86 H VAL 86 3.681 -12.346 -3.887 653 HA VAL 86 HA VAL 86 1.591 -13.363 -5.701 654 HB VAL 86 HB VAL 86 0.170 -11.503 -4.911 655 HG11 VAL 86 1HG1 VAL 86 -0.353 -12.445 -2.718 656 HG12 VAL 86 2HG1 VAL 86 -0.033 -13.717 -3.899 657 HG13 VAL 86 3HG1 VAL 86 1.195 -13.290 -2.707 658 HG21 VAL 86 1HG2 VAL 86 1.156 -10.671 -2.533 659 HG22 VAL 86 2HG2 VAL 86 2.642 -10.809 -3.473 660 HG23 VAL 86 3HG2 VAL 86 1.331 -9.777 -4.043 661 H GLU 87 H GLU 87 0.575 -11.356 -6.926 662 HA GLU 87 HA GLU 87 2.432 -10.517 -8.816 663 HB2 GLU 87 1HB GLU 87 0.711 -9.048 -9.666 664 HB3 GLU 87 2HB GLU 87 -0.021 -10.566 -9.165 665 HG2 GLU 87 1HG GLU 87 -0.391 -9.247 -6.915 666 HG3 GLU 87 2HG GLU 87 -0.278 -7.854 -7.990 667 H ILE 88 H ILE 88 3.735 -8.779 -9.048 668 HA ILE 88 HA ILE 88 3.636 -6.699 -6.967 669 HB ILE 88 HB ILE 88 6.112 -6.591 -7.027 670 HG12 ILE 88 1HG1 ILE 88 6.155 -9.299 -8.303 671 HG13 ILE 88 2HG1 ILE 88 6.084 -7.869 -9.326 672 HG21 ILE 88 1HG2 ILE 88 5.099 -7.753 -5.207 673 HG22 ILE 88 2HG2 ILE 88 4.855 -9.196 -6.190 674 HG23 ILE 88 3HG2 ILE 88 6.487 -8.702 -5.738 675 HD11 ILE 88 1HD1 ILE 88 8.102 -7.214 -7.638 676 HD12 ILE 88 2HD1 ILE 88 8.299 -8.963 -7.764 677 HD13 ILE 88 3HD1 ILE 88 8.311 -7.967 -9.219 678 H PHE 89 H PHE 89 5.314 -4.879 -7.710 679 HA PHE 89 HA PHE 89 5.135 -4.406 -10.581 680 HB2 PHE 89 1HB PHE 89 4.254 -2.073 -10.128 681 HB3 PHE 89 2HB PHE 89 3.101 -3.381 -9.888 682 HD1 PHE 89 1HD PHE 89 5.324 -1.002 -8.152 683 HD2 PHE 89 2HD PHE 89 2.112 -3.770 -7.784 684 HE1 PHE 89 1HE PHE 89 4.898 -0.198 -5.866 685 HE2 PHE 89 2HE PHE 89 1.680 -2.970 -5.498 686 HZ PHE 89 HZ PHE 89 3.073 -1.181 -4.536 687 H ASP 90 H ASP 90 6.049 -1.934 -10.845 688 HA ASP 90 HA ASP 90 8.677 -2.038 -9.537 689 HB2 ASP 90 1HB ASP 90 7.719 -1.085 -12.195 690 HB3 ASP 90 2HB ASP 90 9.107 -0.271 -11.479 691 HA PRO 91 HA PRO 91 8.075 1.699 -7.323 692 HB2 PRO 91 1HB PRO 91 10.497 2.905 -7.549 693 HB3 PRO 91 2HB PRO 91 10.226 1.474 -6.548 694 HG2 PRO 91 1HG PRO 91 11.379 1.668 -9.304 695 HG3 PRO 91 2HG PRO 91 11.923 0.687 -7.930 696 HD2 PRO 91 1HD PRO 91 10.457 -0.339 -9.963 697 HD3 PRO 91 2HD PRO 91 10.328 -0.936 -8.297 698 H ASP 92 H ASP 92 8.576 1.726 -10.653 699 HA ASP 92 HA ASP 92 8.521 4.613 -10.952 700 HB2 ASP 92 1HB ASP 92 8.293 3.908 -13.448 701 HB3 ASP 92 2HB ASP 92 9.826 3.648 -12.621 702 H ASP 93 H ASP 93 6.407 1.856 -11.697 703 HA ASP 93 HA ASP 93 4.273 3.300 -12.777 704 HB2 ASP 93 1HB ASP 93 3.109 1.321 -12.747 705 HB3 ASP 93 2HB ASP 93 4.744 0.698 -12.539 706 H LEU 94 H LEU 94 5.131 2.604 -9.444 707 HA LEU 94 HA LEU 94 2.673 3.699 -8.396 708 HB2 LEU 94 1HB LEU 94 3.591 1.955 -7.118 709 HB3 LEU 94 2HB LEU 94 5.204 2.664 -7.161 710 HG LEU 94 HG LEU 94 4.509 4.407 -5.622 711 HD11 LEU 94 1HD1 LEU 94 1.899 3.144 -5.063 712 HD12 LEU 94 2HD1 LEU 94 2.019 4.089 -6.547 713 HD13 LEU 94 3HD1 LEU 94 2.383 4.839 -4.992 714 HD21 LEU 94 1HD2 LEU 94 5.061 1.882 -4.960 715 HD22 LEU 94 2HD2 LEU 94 3.436 1.994 -4.282 716 HD23 LEU 94 3HD2 LEU 94 4.689 3.122 -3.761 717 H TYR 95 H TYR 95 6.109 4.632 -8.330 718 HA TYR 95 HA TYR 95 5.852 7.042 -6.983 719 HB2 TYR 95 1HB TYR 95 8.018 6.005 -7.492 720 HB3 TYR 95 2HB TYR 95 7.793 6.358 -9.202 721 HD1 TYR 95 2HD TYR 95 7.780 8.165 -5.925 722 HD2 TYR 95 1HD TYR 95 8.854 8.223 -10.042 723 HE1 TYR 95 2HE TYR 95 8.854 10.354 -5.608 724 HE2 TYR 95 1HE TYR 95 9.932 10.412 -9.736 725 HH TYR 95 HH TYR 95 10.446 12.028 -8.309 726 H SER 96 H SER 96 6.036 6.609 -10.521 727 HA SER 96 HA SER 96 5.212 9.304 -11.026 728 HB2 SER 96 1HB SER 96 6.680 7.775 -12.511 729 HB3 SER 96 2HB SER 96 5.153 7.095 -13.071 730 HG SER 96 HG SER 96 4.583 9.051 -13.902 731 H GLY 97 H GLY 97 3.690 6.195 -11.914 732 HA2 GLY 97 1HA GLY 97 1.364 5.829 -11.170 733 HA3 GLY 97 2HA GLY 97 1.072 7.519 -11.553 734 H VAL 98 H VAL 98 2.788 5.022 -13.405 735 HA VAL 98 HA VAL 98 1.267 5.740 -15.767 736 HB VAL 98 HB VAL 98 3.464 3.695 -15.415 737 HG11 VAL 98 1HG1 VAL 98 3.083 3.016 -17.495 738 HG12 VAL 98 2HG1 VAL 98 1.617 3.999 -17.508 739 HG13 VAL 98 3HG1 VAL 98 3.139 4.675 -18.090 740 HG21 VAL 98 1HG2 VAL 98 4.483 5.683 -16.965 741 HG22 VAL 98 2HG2 VAL 98 3.456 6.595 -15.858 742 HG23 VAL 98 3HG2 VAL 98 4.724 5.546 -15.224 743 H ASN 99 H ASN 99 1.897 2.763 -13.911 744 HA ASN 99 HA ASN 99 -0.653 1.703 -14.940 745 HB2 ASN 99 1HB ASN 99 1.524 0.599 -15.776 746 HB3 ASN 99 2HB ASN 99 1.660 -0.053 -14.145 747 HD21 ASN 99 1HD2 ASN 99 0.949 -1.038 -17.017 748 HD22 ASN 99 2HD2 ASN 99 -0.374 -2.110 -16.724 749 H PHE 100 H PHE 100 -1.734 2.532 -13.099 750 HA PHE 100 HA PHE 100 -0.933 1.804 -10.449 751 HB2 PHE 100 1HB PHE 100 -2.244 3.862 -10.997 752 HB3 PHE 100 2HB PHE 100 -3.621 2.833 -11.377 753 HD1 PHE 100 2HD PHE 100 -1.141 2.905 -8.587 754 HD2 PHE 100 1HD PHE 100 -5.232 2.990 -9.759 755 HE1 PHE 100 2HE PHE 100 -1.814 2.942 -6.221 756 HE2 PHE 100 1HE PHE 100 -5.912 3.027 -7.394 757 HZ PHE 100 HZ PHE 100 -4.202 3.002 -5.622 758 H SER 101 H SER 101 -3.377 0.662 -12.736 759 HA SER 101 HA SER 101 -4.946 -1.007 -11.372 760 HB2 SER 101 1HB SER 101 -4.898 -0.828 -13.853 761 HB3 SER 101 2HB SER 101 -3.476 -1.871 -13.875 762 HG SER 101 HG SER 101 -4.683 -3.564 -13.318 763 H LYS 102 H LYS 102 -1.553 -1.651 -12.111 764 HA LYS 102 HA LYS 102 -1.496 -4.270 -11.023 765 HB2 LYS 102 1HB LYS 102 0.673 -2.253 -11.592 766 HB3 LYS 102 2HB LYS 102 1.011 -3.859 -10.961 767 HG2 LYS 102 1HG LYS 102 -0.299 -4.717 -12.991 768 HG3 LYS 102 2HG LYS 102 -0.096 -3.086 -13.634 769 HD2 LYS 102 1HD LYS 102 1.731 -4.226 -14.510 770 HD3 LYS 102 2HD LYS 102 2.406 -3.431 -13.086 771 HE2 LYS 102 1HE LYS 102 3.225 -5.627 -12.996 772 HE3 LYS 102 2HE LYS 102 1.894 -5.594 -11.841 773 HZ1 LYS 102 1HZ LYS 102 0.469 -6.540 -13.607 774 HZ2 LYS 102 2HZ LYS 102 1.730 -7.569 -13.146 775 HZ3 LYS 102 3HZ LYS 102 1.834 -6.701 -14.594 776 H VAL 103 H VAL 103 -0.347 -1.154 -9.727 777 HA VAL 103 HA VAL 103 0.515 -1.998 -7.247 778 HB VAL 103 HB VAL 103 -0.934 0.601 -7.761 779 HG11 VAL 103 1HG1 VAL 103 1.092 -0.243 -5.696 780 HG12 VAL 103 2HG1 VAL 103 0.601 1.429 -5.975 781 HG13 VAL 103 3HG1 VAL 103 -0.581 0.242 -5.422 782 HG21 VAL 103 1HG2 VAL 103 0.696 0.601 -9.414 783 HG22 VAL 103 2HG2 VAL 103 1.505 1.409 -8.072 784 HG23 VAL 103 3HG2 VAL 103 1.850 -0.285 -8.418 785 H LEU 104 H LEU 104 -2.766 -1.228 -8.297 786 HA LEU 104 HA LEU 104 -3.959 -1.429 -5.729 787 HB2 LEU 104 1HB LEU 104 -4.979 -0.255 -7.644 788 HB3 LEU 104 2HB LEU 104 -5.217 -1.807 -8.444 789 HG LEU 104 HG LEU 104 -6.693 -2.455 -6.509 790 HD11 LEU 104 1HD1 LEU 104 -6.789 -1.152 -4.721 791 HD12 LEU 104 2HD1 LEU 104 -7.457 0.147 -5.708 792 HD13 LEU 104 3HD1 LEU 104 -5.712 0.014 -5.490 793 HD21 LEU 104 1HD2 LEU 104 -7.667 -0.016 -7.974 794 HD22 LEU 104 2HD2 LEU 104 -8.602 -1.406 -7.422 795 HD23 LEU 104 3HD2 LEU 104 -7.461 -1.583 -8.756 796 H SER 105 H SER 105 -3.845 -3.685 -8.484 797 HA SER 105 HA SER 105 -5.212 -5.799 -7.295 798 HB2 SER 105 1HB SER 105 -4.198 -7.219 -8.988 799 HB3 SER 105 2HB SER 105 -4.621 -5.666 -9.708 800 HG SER 105 HG SER 105 -2.176 -6.836 -9.396 801 H THR 106 H THR 106 -1.729 -5.111 -7.341 802 HA THR 106 HA THR 106 -0.727 -7.325 -6.085 803 HB THR 106 HB THR 106 0.125 -4.455 -5.659 804 HG1 THR 106 1HG THR 106 1.472 -6.338 -7.263 805 HG21 THR 106 1HG2 THR 106 1.451 -5.283 -4.055 806 HG22 THR 106 2HG2 THR 106 2.345 -6.069 -5.356 807 HG23 THR 106 3HG2 THR 106 1.081 -6.949 -4.497 808 H LEU 107 H LEU 107 -1.979 -4.401 -4.481 809 HA LEU 107 HA LEU 107 -1.631 -5.334 -1.848 810 HB2 LEU 107 1HB LEU 107 -3.538 -3.299 -2.986 811 HB3 LEU 107 2HB LEU 107 -3.307 -3.577 -1.261 812 HG LEU 107 HG LEU 107 -1.115 -2.684 -3.130 813 HD11 LEU 107 1HD1 LEU 107 -3.295 -1.181 -2.422 814 HD12 LEU 107 2HD1 LEU 107 -1.716 -0.548 -2.886 815 HD13 LEU 107 3HD1 LEU 107 -2.114 -0.760 -1.182 816 HD21 LEU 107 1HD2 LEU 107 0.258 -2.637 -1.341 817 HD22 LEU 107 2HD2 LEU 107 -0.854 -3.858 -0.722 818 HD23 LEU 107 3HD2 LEU 107 -1.028 -2.174 -0.227 819 H LEU 108 H LEU 108 -4.377 -5.506 -4.072 820 HA LEU 108 HA LEU 108 -6.326 -6.490 -2.381 821 HB2 LEU 108 1HB LEU 108 -5.755 -6.830 -5.287 822 HB3 LEU 108 2HB LEU 108 -7.032 -7.794 -4.548 823 HG LEU 108 HG LEU 108 -6.933 -4.779 -4.506 824 HD11 LEU 108 1HD1 LEU 108 -7.892 -6.683 -6.524 825 HD12 LEU 108 2HD1 LEU 108 -7.451 -4.983 -6.680 826 HD13 LEU 108 3HD1 LEU 108 -9.045 -5.428 -6.070 827 HD21 LEU 108 1HD2 LEU 108 -9.463 -6.216 -4.140 828 HD22 LEU 108 2HD2 LEU 108 -8.813 -4.819 -3.281 829 HD23 LEU 108 3HD2 LEU 108 -8.291 -6.447 -2.843 830 H ALA 109 H ALA 109 -3.773 -8.257 -4.078 831 HA ALA 109 HA ALA 109 -4.608 -10.846 -3.308 832 HB1 ALA 109 1HB ALA 109 -1.727 -10.496 -3.693 833 HB2 ALA 109 2HB ALA 109 -2.866 -11.554 -4.527 834 HB3 ALA 109 3HB ALA 109 -2.718 -9.863 -5.008 835 H VAL 110 H VAL 110 -2.000 -8.775 -2.026 836 HA VAL 110 HA VAL 110 -1.131 -10.367 0.042 837 HB VAL 110 HB VAL 110 -1.386 -7.357 0.015 838 HG11 VAL 110 1HG1 VAL 110 0.679 -7.816 1.660 839 HG12 VAL 110 2HG1 VAL 110 -0.980 -7.620 2.227 840 HG13 VAL 110 3HG1 VAL 110 -0.302 -9.236 2.022 841 HG21 VAL 110 1HG2 VAL 110 0.356 -9.204 -1.328 842 HG22 VAL 110 2HG2 VAL 110 0.261 -7.449 -1.476 843 HG23 VAL 110 3HG2 VAL 110 1.283 -8.176 -0.236 844 H ASN 111 H ASN 111 -3.749 -7.957 0.151 845 HA ASN 111 HA ASN 111 -4.453 -8.226 2.820 846 HB2 ASN 111 1HB ASN 111 -5.522 -6.459 1.773 847 HB3 ASN 111 2HB ASN 111 -5.940 -7.415 0.354 848 HD21 ASN 111 1HD2 ASN 111 -6.550 -7.491 3.853 849 HD22 ASN 111 2HD2 ASN 111 -8.245 -7.799 3.720 850 H LYS 112 H LYS 112 -5.494 -10.121 0.021 851 HA LYS 112 HA LYS 112 -7.402 -11.699 1.378 852 HB2 LYS 112 1HB LYS 112 -6.961 -11.388 -1.174 853 HB3 LYS 112 2HB LYS 112 -5.836 -12.724 -0.967 854 HG2 LYS 112 1HG LYS 112 -7.719 -13.857 -1.575 855 HG3 LYS 112 2HG LYS 112 -7.901 -13.867 0.181 856 HD2 LYS 112 1HD LYS 112 -9.061 -11.597 -1.358 857 HD3 LYS 112 2HD LYS 112 -9.889 -13.155 -1.401 858 HE2 LYS 112 1HE LYS 112 -9.540 -13.018 1.210 859 HE3 LYS 112 2HE LYS 112 -9.451 -11.289 0.878 860 HZ1 LYS 112 1HZ LYS 112 -11.616 -11.852 -0.485 861 HZ2 LYS 112 2HZ LYS 112 -11.676 -11.508 1.169 862 HZ3 LYS 112 3HZ LYS 112 -11.721 -13.113 0.638 863 H ALA 113 H ALA 113 -4.089 -12.531 0.341 864 HA ALA 113 HA ALA 113 -3.879 -15.010 1.518 865 HB1 ALA 113 1HB ALA 113 -2.213 -13.778 0.018 866 HB2 ALA 113 2HB ALA 113 -1.576 -13.087 1.512 867 HB3 ALA 113 3HB ALA 113 -1.561 -14.834 1.271 868 H THR 114 H THR 114 -3.264 -11.842 2.985 869 HA THR 114 HA THR 114 -2.438 -12.886 5.502 870 HB THR 114 HB THR 114 -2.803 -10.549 6.327 871 HG1 THR 114 1HG THR 114 -4.520 -10.047 4.828 872 HG21 THR 114 1HG2 THR 114 -1.217 -10.870 3.776 873 HG22 THR 114 2HG2 THR 114 -0.646 -11.175 5.417 874 HG23 THR 114 3HG2 THR 114 -1.043 -9.533 4.912 875 H GLU 115 H GLU 115 -5.510 -11.702 4.215 876 HA GLU 115 HA GLU 115 -7.112 -11.431 6.352 877 HB2 GLU 115 1HB GLU 115 -7.662 -11.565 3.789 878 HB3 GLU 115 2HB GLU 115 -8.099 -13.225 4.168 879 HG2 GLU 115 1HG GLU 115 -9.256 -10.787 5.500 880 HG3 GLU 115 2HG GLU 115 -10.021 -11.696 4.197 881 H SER 116 H SER 116 -7.286 -12.549 8.169 882 HA SER 116 HA SER 116 -7.114 -15.487 8.042 883 HB2 SER 116 1HB SER 116 -6.410 -13.564 10.265 884 HB3 SER 116 2HB SER 116 -6.521 -15.308 10.498 885 HG SER 116 HG SER 116 -4.556 -15.377 9.785 886 H GLY 117 H GLY 117 -8.771 -12.795 9.664 887 HA2 GLY 117 1HA GLY 117 -10.908 -14.659 10.457 888 HA3 GLY 117 2HA GLY 117 -10.617 -13.081 11.174 889 HA PRO 118 HA PRO 118 -13.672 -13.055 7.437 890 HB2 PRO 118 1HB PRO 118 -16.024 -13.685 8.637 891 HB3 PRO 118 2HB PRO 118 -14.980 -14.892 7.877 892 HG2 PRO 118 1HG PRO 118 -15.248 -14.171 10.770 893 HG3 PRO 118 2HG PRO 118 -15.125 -15.775 10.023 894 HD2 PRO 118 1HD PRO 118 -13.015 -14.548 11.197 895 HD3 PRO 118 2HD PRO 118 -12.834 -15.636 9.805 896 H SER 119 H SER 119 -13.605 -11.938 10.701 897 HA SER 119 HA SER 119 -15.652 -10.015 10.625 898 HB2 SER 119 1HB SER 119 -14.636 -9.067 12.583 899 HB3 SER 119 2HB SER 119 -14.430 -10.816 12.681 900 HG SER 119 HG SER 119 -12.304 -10.588 12.078 901 H SER 120 H SER 120 -15.814 -8.447 9.168 902 HA SER 120 HA SER 120 -13.534 -6.678 8.740 903 HB2 SER 120 1HB SER 120 -13.994 -6.691 6.254 904 HB3 SER 120 2HB SER 120 -13.277 -8.173 6.885 905 HG SER 120 HG SER 120 -15.912 -8.407 7.054 906 H GLY 121 H GLY 121 -14.218 -4.705 7.453 907 HA2 GLY 121 1HA GLY 121 -15.544 -2.833 7.353 908 HA3 GLY 121 2HA GLY 121 -16.861 -3.954 7.044
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