NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22331 | 2jnt | 6943 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA TYR 1 HA TYR 1 -21.566 -3.599 4.077 2 HD1 TYR 1 2HD TYR 1 -21.113 -2.852 8.116 3 HD2 TYR 1 1HD TYR 1 -24.161 -2.286 5.203 4 HE1 TYR 1 2HE TYR 1 -22.788 -3.633 9.730 5 HE2 TYR 1 1HE TYR 1 -25.851 -3.060 6.818 6 HH TYR 1 HH TYR 1 -25.132 -3.446 10.138 7 H1 TYR 1 1HT TYR 1 -20.986 -4.658 6.118 8 H2 TYR 1 2HT TYR 1 -19.564 -3.774 6.248 9 H3 TYR 1 3HT TYR 1 -19.741 -4.897 5.013 10 HB2 TYR 1 1HB TYR 1 -20.721 -1.490 6.098 11 HB3 TYR 1 2HB TYR 1 -21.963 -1.339 4.876 12 H THR 2 H THR 2 -18.704 -1.808 5.384 13 HA THR 2 HA THR 2 -18.098 -1.019 2.670 14 HB THR 2 HB THR 2 -16.522 0.520 3.770 15 HG1 THR 2 1HG THR 2 -17.375 0.345 6.314 16 HG21 THR 2 3HG2 THR 2 -19.294 0.590 4.967 17 HG22 THR 2 1HG2 THR 2 -18.836 1.241 3.393 18 HG23 THR 2 2HG2 THR 2 -18.187 1.961 4.863 19 H ASP 3 H ASP 3 -17.675 -3.719 3.389 20 HA ASP 3 HA ASP 3 -15.161 -4.444 4.454 21 HB2 ASP 3 1HB ASP 3 -16.891 -6.093 2.608 22 HB3 ASP 3 2HB ASP 3 -15.686 -6.686 3.740 23 H LYS 4 H LYS 4 -15.967 -3.310 1.403 24 HA LYS 4 HA LYS 4 -13.374 -3.701 0.315 25 HB2 LYS 4 1HB LYS 4 -15.710 -5.225 -0.880 26 HB3 LYS 4 2HB LYS 4 -14.356 -4.728 -1.883 27 HG2 LYS 4 1HG LYS 4 -12.834 -6.033 -0.414 28 HG3 LYS 4 2HG LYS 4 -14.232 -6.566 0.515 29 HD2 LYS 4 1HD LYS 4 -15.097 -7.787 -1.350 30 HD3 LYS 4 2HD LYS 4 -13.932 -7.050 -2.448 31 HE2 LYS 4 1HE LYS 4 -13.241 -9.329 -1.931 32 HE3 LYS 4 2HE LYS 4 -12.101 -8.181 -1.245 33 HZ1 LYS 4 3HZ LYS 4 -14.184 -9.716 0.211 34 HZ2 LYS 4 1HZ LYS 4 -13.238 -8.522 0.937 35 HZ3 LYS 4 2HZ LYS 4 -12.529 -9.905 0.315 36 H TYR 5 H TYR 5 -13.005 -2.370 -1.471 37 HA TYR 5 HA TYR 5 -12.876 -0.355 -2.213 38 HD1 TYR 5 1HD TYR 5 -15.516 -2.961 -3.871 39 HD2 TYR 5 2HD TYR 5 -16.952 0.958 -3.074 40 HE1 TYR 5 1HE TYR 5 -17.822 -3.780 -4.020 41 HE2 TYR 5 2HE TYR 5 -19.263 0.142 -3.210 42 HH TYR 5 HH TYR 5 -20.055 -3.091 -3.137 43 HB2 TYR 5 1HB TYR 5 -14.720 0.623 -3.605 44 HB3 TYR 5 2HB TYR 5 -14.090 -0.837 -4.217 45 H ASP 6 H ASP 6 -15.764 -0.333 -0.357 46 HA ASP 6 HA ASP 6 -16.128 2.434 -0.248 47 HB2 ASP 6 1HB ASP 6 -16.951 0.246 1.612 48 HB3 ASP 6 2HB ASP 6 -17.283 1.927 1.979 49 H LYS 7 H LYS 7 -14.474 0.330 2.162 50 HA LYS 7 HA LYS 7 -13.168 2.645 3.073 51 HB2 LYS 7 1HB LYS 7 -15.251 3.351 3.940 52 HB3 LYS 7 2HB LYS 7 -15.502 1.820 4.756 53 HG2 LYS 7 1HG LYS 7 -13.603 2.324 6.245 54 HG3 LYS 7 2HG LYS 7 -13.450 3.899 5.461 55 HD2 LYS 7 1HD LYS 7 -15.628 4.534 6.173 56 HD3 LYS 7 2HD LYS 7 -15.953 2.912 6.786 57 HE2 LYS 7 1HE LYS 7 -14.259 3.184 8.482 58 HE3 LYS 7 2HE LYS 7 -13.816 4.752 7.800 59 HZ1 LYS 7 3HZ LYS 7 -15.936 5.615 8.366 60 HZ2 LYS 7 1HZ LYS 7 -15.278 4.937 9.758 61 HZ3 LYS 7 2HZ LYS 7 -16.485 4.112 8.943 62 H ILE 8 H ILE 8 -14.358 -0.109 5.089 63 HA ILE 8 HA ILE 8 -11.774 -0.075 6.381 64 HB ILE 8 HB ILE 8 -12.711 -1.830 7.861 65 HG12 ILE 8 1HG1 ILE 8 -15.277 -1.389 6.332 66 HG13 ILE 8 2HG1 ILE 8 -14.248 -2.794 6.122 67 HG21 ILE 8 1HG2 ILE 8 -14.413 0.639 7.519 68 HG22 ILE 8 2HG2 ILE 8 -12.921 0.516 8.450 69 HG23 ILE 8 3HG2 ILE 8 -14.355 -0.378 8.959 70 HD11 ILE 8 3HD1 ILE 8 -15.685 -1.968 8.643 71 HD12 ILE 8 1HD1 ILE 8 -14.622 -3.371 8.491 72 HD13 ILE 8 2HD1 ILE 8 -16.118 -3.295 7.563 73 H ASN 9 H ASN 9 -11.572 -0.808 3.807 74 HA ASN 9 HA ASN 9 -10.667 -3.561 4.078 75 HB2 ASN 9 1HB ASN 9 -10.944 -3.827 1.702 76 HB3 ASN 9 2HB ASN 9 -12.472 -3.260 2.347 77 HD21 ASN 9 1HD2 ASN 9 -9.711 -2.557 0.623 78 HD22 ASN 9 2HD2 ASN 9 -10.203 -1.215 -0.267 79 H LEU 10 H LEU 10 -8.545 -3.723 4.083 80 HA LEU 10 HA LEU 10 -6.980 -1.870 2.488 81 HG LEU 10 HG LEU 10 -7.906 -1.030 5.127 82 HB2 LEU 10 1HB LEU 10 -6.105 -3.003 5.181 83 HB3 LEU 10 2HB LEU 10 -5.247 -1.917 4.140 84 HD11 LEU 10 1HD1 LEU 10 -6.764 0.022 7.035 85 HD12 LEU 10 2HD1 LEU 10 -5.293 -0.863 6.609 86 HD13 LEU 10 3HD1 LEU 10 -6.733 -1.737 7.125 87 HD21 LEU 10 3HD2 LEU 10 -6.811 0.230 3.389 88 HD22 LEU 10 1HD2 LEU 10 -5.356 0.347 4.395 89 HD23 LEU 10 2HD2 LEU 10 -6.855 1.145 4.909 90 H GLN 11 H GLN 11 -6.805 -4.807 4.404 91 HA GLN 11 HA GLN 11 -4.944 -6.049 2.610 92 HB2 GLN 11 1HB GLN 11 -4.976 -6.288 5.138 93 HB3 GLN 11 2HB GLN 11 -6.407 -7.287 4.926 94 HG2 GLN 11 1HG GLN 11 -4.782 -8.882 5.068 95 HG3 GLN 11 2HG GLN 11 -4.866 -8.650 3.328 96 HE21 GLN 11 1HE2 GLN 11 -3.318 -5.941 3.633 97 HE22 GLN 11 2HE2 GLN 11 -1.730 -6.525 3.912 98 H GLU 12 H GLU 12 -8.413 -5.990 2.965 99 HA GLU 12 HA GLU 12 -8.674 -8.615 1.780 100 HB2 GLU 12 1HB GLU 12 -11.209 -7.901 1.738 101 HB3 GLU 12 2HB GLU 12 -10.463 -8.498 3.191 102 HG2 GLU 12 1HG GLU 12 -10.816 -5.592 2.526 103 HG3 GLU 12 2HG GLU 12 -11.968 -6.527 3.474 104 H ILE 13 H ILE 13 -8.143 -5.713 0.789 105 HA ILE 13 HA ILE 13 -9.150 -6.346 -1.842 106 HB ILE 13 HB ILE 13 -8.480 -3.781 -0.522 107 HG12 ILE 13 1HG1 ILE 13 -10.775 -4.511 -0.426 108 HG13 ILE 13 2HG1 ILE 13 -10.649 -3.117 -1.482 109 HG21 ILE 13 1HG2 ILE 13 -7.171 -3.740 -2.533 110 HG22 ILE 13 2HG2 ILE 13 -8.554 -2.652 -2.662 111 HG23 ILE 13 3HG2 ILE 13 -8.581 -4.218 -3.472 112 HD11 ILE 13 3HD1 ILE 13 -11.095 -5.986 -2.241 113 HD12 ILE 13 1HD1 ILE 13 -10.671 -4.712 -3.400 114 HD13 ILE 13 2HD1 ILE 13 -12.160 -4.595 -2.465 115 H LEU 14 H LEU 14 -6.284 -5.198 -0.065 116 HA LEU 14 HA LEU 14 -4.383 -5.150 -2.020 117 HG LEU 14 HG LEU 14 -1.980 -6.243 -0.592 118 HB2 LEU 14 1HB LEU 14 -4.185 -4.419 0.329 119 HB3 LEU 14 2HB LEU 14 -4.043 -6.105 0.788 120 HD11 LEU 14 1HD1 LEU 14 -2.318 -3.253 -0.723 121 HD12 LEU 14 2HD1 LEU 14 -2.368 -4.376 -2.088 122 HD13 LEU 14 3HD1 LEU 14 -0.872 -4.147 -1.182 123 HD21 LEU 14 3HD2 LEU 14 -0.614 -5.064 1.049 124 HD22 LEU 14 1HD2 LEU 14 -1.908 -5.968 1.831 125 HD23 LEU 14 2HD2 LEU 14 -2.065 -4.236 1.621 126 H GLU 15 H GLU 15 -5.863 -7.806 -0.533 127 HA GLU 15 HA GLU 15 -4.110 -9.878 -0.843 128 HB2 GLU 15 1HB GLU 15 -5.847 -10.043 0.534 129 HB3 GLU 15 2HB GLU 15 -7.090 -9.623 -0.649 130 HG2 GLU 15 1HG GLU 15 -6.601 -11.857 -1.735 131 HG3 GLU 15 2HG GLU 15 -5.569 -12.222 -0.350 132 H ASN 16 H ASN 16 -6.003 -8.308 -3.371 133 HA ASN 16 HA ASN 16 -4.676 -10.000 -5.353 134 HB2 ASN 16 1HB ASN 16 -7.689 -9.809 -5.185 135 HB3 ASN 16 2HB ASN 16 -6.831 -10.372 -6.603 136 HD21 ASN 16 1HD2 ASN 16 -8.029 -11.157 -3.489 137 HD22 ASN 16 2HD2 ASN 16 -7.594 -12.819 -3.516 138 H LYS 17 H LYS 17 -4.074 -8.705 -7.046 139 HA LYS 17 HA LYS 17 -4.691 -5.975 -7.059 140 HB2 LYS 17 1HB LYS 17 -3.670 -5.668 -9.207 141 HB3 LYS 17 2HB LYS 17 -2.689 -6.736 -8.234 142 HG2 LYS 17 1HG LYS 17 -4.582 -7.794 -10.302 143 HG3 LYS 17 2HG LYS 17 -2.974 -7.207 -10.742 144 HD2 LYS 17 1HD LYS 17 -2.090 -8.833 -9.016 145 HD3 LYS 17 2HD LYS 17 -3.721 -9.502 -8.954 146 HE2 LYS 17 1HE LYS 17 -2.393 -10.803 -10.483 147 HE3 LYS 17 2HE LYS 17 -3.618 -9.890 -11.359 148 HZ1 LYS 17 3HZ LYS 17 -1.482 -9.817 -12.477 149 HZ2 LYS 17 1HZ LYS 17 -0.747 -9.075 -11.160 150 HZ3 LYS 17 2HZ LYS 17 -1.934 -8.271 -12.004 151 H ARG 18 H ARG 18 -6.531 -8.446 -8.331 152 HA ARG 18 HA ARG 18 -8.117 -6.708 -9.937 153 HE ARG 18 HE ARG 18 -7.779 -12.200 -7.687 154 HB2 ARG 18 1HB ARG 18 -9.847 -8.626 -9.935 155 HB3 ARG 18 2HB ARG 18 -8.284 -8.909 -10.673 156 HG2 ARG 18 1HG ARG 18 -8.768 -9.811 -7.857 157 HG3 ARG 18 2HG ARG 18 -9.407 -10.754 -9.201 158 HD2 ARG 18 1HD ARG 18 -7.029 -10.815 -10.132 159 HD3 ARG 18 2HD ARG 18 -6.483 -10.123 -8.605 160 HH11 ARG 18 1HH1 ARG 18 -5.647 -12.153 -10.558 161 HH12 ARG 18 2HH1 ARG 18 -4.984 -13.674 -10.204 162 HH21 ARG 18 1HH2 ARG 18 -6.888 -14.268 -7.298 163 HH22 ARG 18 2HH2 ARG 18 -5.709 -14.925 -8.337 164 H LEU 19 H LEU 19 -8.190 -7.722 -6.629 165 HA LEU 19 HA LEU 19 -10.636 -6.395 -6.059 166 HG LEU 19 HG LEU 19 -9.623 -9.276 -5.227 167 HB2 LEU 19 1HB LEU 19 -8.420 -7.367 -4.255 168 HB3 LEU 19 2HB LEU 19 -9.931 -6.692 -3.699 169 HD11 LEU 19 1HD1 LEU 19 -8.789 -9.344 -2.915 170 HD12 LEU 19 2HD1 LEU 19 -10.242 -10.323 -3.121 171 HD13 LEU 19 3HD1 LEU 19 -10.338 -8.758 -2.333 172 HD21 LEU 19 3HD2 LEU 19 -11.750 -8.190 -5.738 173 HD22 LEU 19 1HD2 LEU 19 -12.067 -7.975 -4.016 174 HD23 LEU 19 2HD2 LEU 19 -12.004 -9.595 -4.708 175 H LEU 20 H LEU 20 -7.257 -5.600 -6.292 176 HA LEU 20 HA LEU 20 -7.319 -3.123 -4.924 177 HG LEU 20 HG LEU 20 -4.840 -2.962 -4.405 178 HB2 LEU 20 1HB LEU 20 -5.531 -4.205 -7.061 179 HB3 LEU 20 2HB LEU 20 -5.489 -2.503 -6.703 180 HD11 LEU 20 1HD1 LEU 20 -4.897 -5.855 -5.227 181 HD12 LEU 20 2HD1 LEU 20 -5.736 -5.086 -3.890 182 HD13 LEU 20 3HD1 LEU 20 -3.972 -5.236 -3.889 183 HD21 LEU 20 3HD2 LEU 20 -3.175 -2.555 -6.005 184 HD22 LEU 20 1HD2 LEU 20 -3.143 -4.262 -6.462 185 HD23 LEU 20 2HD2 LEU 20 -2.631 -3.774 -4.842 186 H GLU 21 H GLU 21 -7.809 -4.027 -8.252 187 HA GLU 21 HA GLU 21 -8.531 -1.593 -9.296 188 HB2 GLU 21 1HB GLU 21 -9.354 -4.392 -9.904 189 HB3 GLU 21 2HB GLU 21 -10.023 -3.057 -10.811 190 HG2 GLU 21 1HG GLU 21 -7.090 -3.698 -10.537 191 HG3 GLU 21 2HG GLU 21 -8.083 -4.126 -11.926 192 H SER 22 H SER 22 -10.422 -3.779 -7.283 193 HA SER 22 HA SER 22 -12.852 -2.409 -7.477 194 HG SER 22 HG SER 22 -13.473 -4.713 -7.293 195 HB2 SER 22 1HB SER 22 -11.801 -4.013 -5.143 196 HB3 SER 22 2HB SER 22 -13.487 -3.555 -5.382 197 H TYR 23 H TYR 23 -10.221 -1.849 -4.984 198 HA TYR 23 HA TYR 23 -11.784 0.586 -4.289 199 HD1 TYR 23 2HD TYR 23 -8.199 -0.835 -4.212 200 HD2 TYR 23 1HD TYR 23 -9.298 0.348 -0.293 201 HE1 TYR 23 2HE TYR 23 -5.846 -1.022 -3.485 202 HE2 TYR 23 1HE TYR 23 -6.980 0.192 0.459 203 HH TYR 23 HH TYR 23 -4.382 -0.248 -1.757 204 HB2 TYR 23 1HB TYR 23 -10.714 0.856 -2.227 205 HB3 TYR 23 2HB TYR 23 -11.014 -0.837 -2.156 206 H MET 24 H MET 24 -10.031 0.090 -6.555 207 HA MET 24 HA MET 24 -7.704 1.602 -6.287 208 HB2 MET 24 1HB MET 24 -8.319 -0.144 -8.045 209 HB3 MET 24 2HB MET 24 -9.009 1.205 -8.946 210 HG2 MET 24 1HG MET 24 -6.709 0.692 -9.637 211 HG3 MET 24 2HG MET 24 -6.847 2.318 -8.964 212 HE1 MET 24 3HE MET 24 -4.123 2.250 -8.832 213 HE2 MET 24 1HE MET 24 -3.241 1.022 -7.928 214 HE3 MET 24 2HE MET 24 -4.114 0.579 -9.395 215 H ASP 25 H ASP 25 -10.930 2.579 -6.826 216 HA ASP 25 HA ASP 25 -10.274 5.138 -7.845 217 HB2 ASP 25 1HB ASP 25 -12.573 4.213 -7.937 218 HB3 ASP 25 2HB ASP 25 -12.702 4.410 -6.198 219 H CYS 26 H CYS 26 -10.306 3.762 -4.689 220 HA CYS 26 HA CYS 26 -10.156 6.171 -3.223 221 HB2 CYS 26 1HB CYS 26 -8.934 3.502 -2.382 222 HB3 CYS 26 2HB CYS 26 -9.372 4.866 -1.376 223 H VAL 27 H VAL 27 -7.839 3.851 -4.486 224 HA VAL 27 HA VAL 27 -5.615 5.384 -3.510 225 HB VAL 27 HB VAL 27 -5.617 2.916 -5.256 226 HG11 VAL 27 1HG1 VAL 27 -3.340 4.230 -3.763 227 HG12 VAL 27 2HG1 VAL 27 -3.256 2.691 -4.622 228 HG13 VAL 27 3HG1 VAL 27 -3.537 4.188 -5.513 229 HG21 VAL 27 3HG2 VAL 27 -5.185 3.255 -2.292 230 HG22 VAL 27 1HG2 VAL 27 -5.014 1.746 -3.187 231 HG23 VAL 27 2HG2 VAL 27 -6.592 2.525 -3.063 232 H LEU 28 H LEU 28 -6.796 4.580 -6.873 233 HA LEU 28 HA LEU 28 -4.827 6.559 -7.721 234 HG LEU 28 HG LEU 28 -4.865 6.299 -10.646 235 HB2 LEU 28 1HB LEU 28 -4.598 4.183 -8.511 236 HB3 LEU 28 2HB LEU 28 -6.046 4.447 -9.461 237 HD11 LEU 28 1HD1 LEU 28 -2.485 5.275 -9.109 238 HD12 LEU 28 2HD1 LEU 28 -3.220 6.874 -8.965 239 HD13 LEU 28 3HD1 LEU 28 -2.419 6.401 -10.465 240 HD21 LEU 28 3HD2 LEU 28 -4.972 4.136 -11.685 241 HD22 LEU 28 1HD2 LEU 28 -3.581 3.573 -10.742 242 HD23 LEU 28 2HD2 LEU 28 -3.377 4.837 -11.953 243 H GLY 29 H GLY 29 -8.166 5.732 -7.887 244 HA2 GLY 29 1HA GLY 29 -9.830 7.365 -8.381 245 HA3 GLY 29 2HA GLY 29 -8.626 8.261 -9.316 246 H LYS 30 H LYS 30 -10.768 5.628 -9.273 247 HA LYS 30 HA LYS 30 -10.612 5.290 -12.164 248 HB2 LYS 30 1HB LYS 30 -10.095 3.000 -10.272 249 HB3 LYS 30 2HB LYS 30 -10.586 2.771 -11.939 250 HG2 LYS 30 1HG LYS 30 -8.492 4.004 -12.595 251 HG3 LYS 30 2HG LYS 30 -8.022 3.932 -10.891 252 HD2 LYS 30 1HD LYS 30 -8.141 1.515 -10.906 253 HD3 LYS 30 2HD LYS 30 -8.742 1.527 -12.558 254 HE2 LYS 30 1HE LYS 30 -6.022 2.502 -11.692 255 HE3 LYS 30 2HE LYS 30 -6.356 0.930 -12.396 256 HZ1 LYS 30 3HZ LYS 30 -5.566 2.499 -14.084 257 HZ2 LYS 30 1HZ LYS 30 -6.860 3.524 -13.747 258 HZ3 LYS 30 2HZ LYS 30 -7.159 2.025 -14.392 259 H GLY 31 H GLY 31 -11.976 3.403 -9.471 260 HA2 GLY 31 1HA GLY 31 -14.500 3.368 -11.023 261 HA3 GLY 31 2HA GLY 31 -14.009 2.100 -9.924 262 H LYS 32 H LYS 32 -14.651 2.222 -7.821 263 HA LYS 32 HA LYS 32 -16.033 4.628 -6.971 264 HB2 LYS 32 1HB LYS 32 -17.893 3.254 -6.009 265 HB3 LYS 32 2HB LYS 32 -17.848 3.272 -7.760 266 HG2 LYS 32 1HG LYS 32 -16.760 1.047 -7.708 267 HG3 LYS 32 2HG LYS 32 -16.943 1.039 -5.952 268 HD2 LYS 32 1HD LYS 32 -19.374 1.224 -6.205 269 HD3 LYS 32 2HD LYS 32 -19.197 1.243 -7.958 270 HE2 LYS 32 1HE LYS 32 -18.169 -1.002 -7.847 271 HE3 LYS 32 2HE LYS 32 -18.440 -1.015 -6.107 272 HZ1 LYS 32 3HZ LYS 32 -20.197 -2.209 -7.223 273 HZ2 LYS 32 1HZ LYS 32 -20.511 -0.896 -8.218 274 HZ3 LYS 32 2HZ LYS 32 -20.850 -0.798 -6.570 275 H CYS 33 H CYS 33 -16.265 4.859 -4.756 276 HA CYS 33 HA CYS 33 -15.023 3.523 -2.632 277 HB2 CYS 33 1HB CYS 33 -13.239 5.303 -4.270 278 HB3 CYS 33 2HB CYS 33 -13.110 5.267 -2.521 279 H THR 34 H THR 34 -14.637 4.867 -0.826 280 HA THR 34 HA THR 34 -16.618 6.979 -0.870 281 HB THR 34 HB THR 34 -15.683 5.327 1.495 282 HG1 THR 34 1HG THR 34 -18.034 4.495 0.749 283 HG21 THR 34 3HG2 THR 34 -16.913 7.415 1.894 284 HG22 THR 34 1HG2 THR 34 -17.840 5.968 2.374 285 HG23 THR 34 2HG2 THR 34 -18.188 6.777 0.832 286 HA PRO 35 HA PRO 35 -13.338 10.019 -0.263 287 HB2 PRO 35 1HB PRO 35 -14.628 11.502 1.762 288 HB3 PRO 35 2HB PRO 35 -14.738 11.786 0.021 289 HG2 PRO 35 1HG PRO 35 -16.555 10.212 1.811 290 HG3 PRO 35 2HG PRO 35 -16.984 11.312 0.478 291 HD2 PRO 35 1HD PRO 35 -17.131 8.729 0.131 292 HD3 PRO 35 2HD PRO 35 -16.357 9.720 -1.127 293 H GLU 36 H GLU 36 -14.866 9.220 2.849 294 HA GLU 36 HA GLU 36 -12.676 9.652 4.525 295 HB2 GLU 36 1HB GLU 36 -14.956 9.414 5.313 296 HB3 GLU 36 2HB GLU 36 -14.996 7.752 4.764 297 HG2 GLU 36 1HG GLU 36 -13.390 7.122 6.434 298 HG3 GLU 36 2HG GLU 36 -13.221 8.799 6.952 299 H GLY 37 H GLY 37 -13.724 6.810 2.786 300 HA2 GLY 37 1HA GLY 37 -11.857 4.968 3.793 301 HA3 GLY 37 2HA GLY 37 -12.706 4.844 2.259 302 H LYS 38 H LYS 38 -11.796 7.219 1.076 303 HA LYS 38 HA LYS 38 -9.388 6.289 -0.036 304 HB2 LYS 38 1HB LYS 38 -10.420 9.120 -0.233 305 HB3 LYS 38 2HB LYS 38 -9.266 8.341 -1.301 306 HG2 LYS 38 1HG LYS 38 -11.272 6.705 -1.735 307 HG3 LYS 38 2HG LYS 38 -12.209 8.042 -1.115 308 HD2 LYS 38 1HD LYS 38 -10.316 8.237 -3.480 309 HD3 LYS 38 2HD LYS 38 -12.057 8.081 -3.598 310 HE2 LYS 38 1HE LYS 38 -11.590 10.368 -3.970 311 HE3 LYS 38 2HE LYS 38 -12.172 10.292 -2.313 312 HZ1 LYS 38 3HZ LYS 38 -10.226 11.731 -2.676 313 HZ2 LYS 38 1HZ LYS 38 -9.277 10.407 -3.053 314 HZ3 LYS 38 2HZ LYS 38 -9.936 10.580 -1.508 315 H GLU 39 H GLU 39 -10.023 8.446 2.636 316 HA GLU 39 HA GLU 39 -7.466 9.730 2.556 317 HB2 GLU 39 1HB GLU 39 -9.555 9.554 4.714 318 HB3 GLU 39 2HB GLU 39 -8.118 10.558 4.807 319 HG2 GLU 39 1HG GLU 39 -8.892 11.830 2.875 320 HG3 GLU 39 2HG GLU 39 -10.324 10.801 2.787 321 H LEU 40 H LEU 40 -8.998 7.190 4.404 322 HA LEU 40 HA LEU 40 -6.792 6.781 6.083 323 HG LEU 40 HG LEU 40 -9.607 4.816 4.445 324 HB2 LEU 40 1HB LEU 40 -7.941 4.884 6.921 325 HB3 LEU 40 2HB LEU 40 -9.103 6.147 6.671 326 HD11 LEU 40 1HD1 LEU 40 -9.345 2.398 4.657 327 HD12 LEU 40 2HD1 LEU 40 -8.510 2.604 6.188 328 HD13 LEU 40 3HD1 LEU 40 -7.774 3.188 4.702 329 HD21 LEU 40 3HD2 LEU 40 -11.220 5.199 6.207 330 HD22 LEU 40 1HD2 LEU 40 -10.500 3.907 7.174 331 HD23 LEU 40 2HD2 LEU 40 -11.300 3.523 5.655 332 H LYS 41 H LYS 41 -7.798 5.318 3.082 333 HA LYS 41 HA LYS 41 -5.766 3.339 3.032 334 HB2 LYS 41 1HB LYS 41 -7.550 4.431 0.865 335 HB3 LYS 41 2HB LYS 41 -6.399 3.108 0.649 336 HG2 LYS 41 1HG LYS 41 -7.559 1.675 1.838 337 HG3 LYS 41 2HG LYS 41 -8.345 2.846 2.861 338 HD2 LYS 41 1HD LYS 41 -9.670 3.610 0.916 339 HD3 LYS 41 2HD LYS 41 -8.972 2.296 -0.031 340 HE2 LYS 41 1HE LYS 41 -9.906 0.675 1.555 341 HE3 LYS 41 2HE LYS 41 -10.513 1.999 2.529 342 HZ1 LYS 41 3HZ LYS 41 -11.377 1.661 -0.278 343 HZ2 LYS 41 1HZ LYS 41 -12.104 2.557 0.926 344 HZ3 LYS 41 2HZ LYS 41 -12.139 0.871 0.982 345 H ASP 42 H ASP 42 -6.024 6.598 1.630 346 HA ASP 42 HA ASP 42 -3.738 6.466 0.032 347 HB2 ASP 42 1HB ASP 42 -5.312 8.301 -0.215 348 HB3 ASP 42 2HB ASP 42 -4.945 8.873 1.407 349 H HIS 43 H HIS 43 -4.074 7.646 3.332 350 HA HIS 43 HA HIS 43 -1.341 8.304 3.731 351 HD1 HIS 43 1HD HIS 43 -5.117 9.436 5.930 352 HD2 HIS 43 2HD HIS 43 -1.321 10.782 4.888 353 HE1 HIS 43 1HE HIS 43 -5.299 11.905 5.785 354 HE2 HIS 43 2HE HIS 43 -3.057 12.676 4.948 355 HB2 HIS 43 1HB HIS 43 -3.487 7.587 5.727 356 HB3 HIS 43 2HB HIS 43 -1.870 8.077 6.201 357 H LEU 44 H LEU 44 -3.126 5.365 4.222 358 HA LEU 44 HA LEU 44 -1.059 4.072 5.677 359 HG LEU 44 HG LEU 44 -1.764 1.651 6.253 360 HB2 LEU 44 1HB LEU 44 -3.383 3.707 6.102 361 HB3 LEU 44 2HB LEU 44 -3.631 3.136 4.477 362 HD11 LEU 44 1HD1 LEU 44 -3.703 0.391 7.078 363 HD12 LEU 44 2HD1 LEU 44 -4.780 1.526 6.259 364 HD13 LEU 44 3HD1 LEU 44 -3.766 2.073 7.596 365 HD21 LEU 44 3HD2 LEU 44 -3.638 0.979 3.979 366 HD22 LEU 44 1HD2 LEU 44 -2.818 -0.236 4.973 367 HD23 LEU 44 2HD2 LEU 44 -1.891 0.906 4.019 368 H GLN 45 H GLN 45 -2.423 3.501 2.395 369 HA GLN 45 HA GLN 45 -0.448 1.622 1.739 370 HB2 GLN 45 1HB GLN 45 -2.125 3.331 -0.125 371 HB3 GLN 45 2HB GLN 45 -1.188 1.934 -0.621 372 HG2 GLN 45 1HG GLN 45 -3.576 1.905 1.249 373 HG3 GLN 45 2HG GLN 45 -3.570 1.378 -0.427 374 HE21 GLN 45 1HE2 GLN 45 -4.407 -0.239 1.837 375 HE22 GLN 45 2HE2 GLN 45 -3.340 -1.564 1.959 376 H GLU 46 H GLU 46 -0.407 5.077 1.717 377 HA GLU 46 HA GLU 46 1.958 5.592 0.263 378 HB2 GLU 46 1HB GLU 46 0.588 7.338 0.909 379 HB3 GLU 46 2HB GLU 46 0.648 6.934 2.624 380 HG2 GLU 46 1HG GLU 46 3.020 7.528 2.591 381 HG3 GLU 46 2HG GLU 46 2.851 8.114 0.919 382 H ALA 47 H ALA 47 1.369 4.831 3.653 383 HA ALA 47 HA ALA 47 4.013 5.005 4.625 384 HB1 ALA 47 3HB ALA 47 3.158 3.807 6.560 385 HB2 ALA 47 1HB ALA 47 1.684 3.419 5.676 386 HB3 ALA 47 2HB ALA 47 2.056 5.107 6.077 387 H LEU 48 H LEU 48 2.345 2.653 2.874 388 HA LEU 48 HA LEU 48 3.674 0.295 3.568 389 HG LEU 48 HG LEU 48 2.547 -1.702 2.064 390 HB2 LEU 48 1HB LEU 48 1.600 0.532 2.190 391 HB3 LEU 48 2HB LEU 48 2.586 1.083 0.861 392 HD11 LEU 48 1HD1 LEU 48 1.597 -0.703 -0.603 393 HD12 LEU 48 2HD1 LEU 48 0.575 -0.990 0.791 394 HD13 LEU 48 3HD1 LEU 48 1.431 -2.343 0.046 395 HD21 LEU 48 3HD2 LEU 48 4.784 -1.175 1.128 396 HD22 LEU 48 1HD2 LEU 48 4.025 -0.729 -0.397 397 HD23 LEU 48 2HD2 LEU 48 3.944 -2.396 0.177 398 H GLU 49 H GLU 49 4.418 2.740 1.021 399 HA GLU 49 HA GLU 49 6.914 1.280 0.787 400 HB2 GLU 49 1HB GLU 49 5.709 0.993 -1.263 401 HB3 GLU 49 2HB GLU 49 5.458 2.717 -1.432 402 HG2 GLU 49 1HG GLU 49 7.171 1.642 -2.972 403 HG3 GLU 49 2HG GLU 49 7.686 3.084 -2.107 404 H THR 50 H THR 50 6.668 4.429 -0.672 405 HA THR 50 HA THR 50 9.086 5.024 0.905 406 HB THR 50 HB THR 50 8.285 6.465 -1.628 407 HG1 THR 50 1HG THR 50 9.373 3.832 -1.355 408 HG21 THR 50 3HG2 THR 50 10.165 7.380 -0.322 409 HG22 THR 50 1HG2 THR 50 10.722 6.743 -1.869 410 HG23 THR 50 2HG2 THR 50 10.974 5.814 -0.393 411 H GLY 51 H GLY 51 6.167 5.484 1.505 412 HA2 GLY 51 1HA GLY 51 5.903 8.351 1.477 413 HA3 GLY 51 2HA GLY 51 4.745 7.164 2.070 414 H CYS 52 H CYS 52 4.620 6.820 4.200 415 HA CYS 52 HA CYS 52 6.834 7.646 5.852 416 HB2 CYS 52 1HB CYS 52 5.573 9.694 5.612 417 HB3 CYS 52 2HB CYS 52 4.096 8.876 6.100 418 H GLU 53 H GLU 53 7.081 5.577 6.477 419 HA GLU 53 HA GLU 53 5.035 3.818 7.372 420 HB2 GLU 53 1HB GLU 53 7.000 2.494 8.242 421 HB3 GLU 53 2HB GLU 53 7.067 2.883 6.529 422 HG2 GLU 53 1HG GLU 53 8.627 4.700 6.985 423 HG3 GLU 53 2HG GLU 53 8.531 4.367 8.709 424 H LYS 54 H LYS 54 7.195 6.003 9.020 425 HA LYS 54 HA LYS 54 6.271 5.123 11.622 426 HB2 LYS 54 1HB LYS 54 8.002 6.882 12.428 427 HB3 LYS 54 2HB LYS 54 8.549 5.365 11.757 428 HG2 LYS 54 1HG LYS 54 9.932 7.116 10.923 429 HG3 LYS 54 2HG LYS 54 8.955 6.529 9.589 430 HD2 LYS 54 1HD LYS 54 9.073 8.903 9.449 431 HD3 LYS 54 2HD LYS 54 7.439 8.493 9.962 432 HE2 LYS 54 1HE LYS 54 8.006 9.049 12.264 433 HE3 LYS 54 2HE LYS 54 9.678 9.364 11.795 434 HZ1 LYS 54 3HZ LYS 54 7.294 10.911 10.922 435 HZ2 LYS 54 1HZ LYS 54 8.875 11.163 10.380 436 HZ3 LYS 54 2HZ LYS 54 8.471 11.404 12.003 437 H CYS 55 H CYS 55 4.574 6.736 9.781 438 HA CYS 55 HA CYS 55 4.300 9.251 11.019 439 HB2 CYS 55 1HB CYS 55 2.977 7.869 8.873 440 HB3 CYS 55 2HB CYS 55 1.931 8.980 9.736 441 H THR 56 H THR 56 1.198 7.634 10.777 442 HA THR 56 HA THR 56 0.829 8.295 13.567 443 HB THR 56 HB THR 56 -1.596 7.931 12.979 444 HG1 THR 56 1HG THR 56 -1.533 8.098 10.392 445 HG21 THR 56 3HG2 THR 56 -0.570 10.185 12.854 446 HG22 THR 56 1HG2 THR 56 -1.811 9.968 11.616 447 HG23 THR 56 2HG2 THR 56 -0.106 9.862 11.187 448 H GLU 57 H GLU 57 -0.944 6.592 14.541 449 HA GLU 57 HA GLU 57 0.494 4.144 14.662 450 HB2 GLU 57 1HB GLU 57 -1.191 3.385 16.266 451 HB3 GLU 57 2HB GLU 57 -0.705 5.015 16.664 452 HG2 GLU 57 1HG GLU 57 -3.239 4.348 15.162 453 HG3 GLU 57 2HG GLU 57 -3.153 4.493 16.909 454 H ALA 58 H ALA 58 -2.372 5.345 13.149 455 HA ALA 58 HA ALA 58 -3.401 2.948 12.093 456 HB1 ALA 58 3HB ALA 58 -4.682 5.039 12.172 457 HB2 ALA 58 1HB ALA 58 -3.594 5.748 10.979 458 HB3 ALA 58 2HB ALA 58 -4.623 4.389 10.532 459 H GLN 59 H GLN 59 -1.198 5.367 10.751 460 HA GLN 59 HA GLN 59 -0.777 3.988 8.345 461 HB2 GLN 59 1HB GLN 59 0.756 6.158 9.707 462 HB3 GLN 59 2HB GLN 59 1.324 5.438 8.208 463 HG2 GLN 59 1HG GLN 59 -0.640 6.149 7.044 464 HG3 GLN 59 2HG GLN 59 -1.388 6.691 8.545 465 HE21 GLN 59 1HE2 GLN 59 1.173 7.343 6.248 466 HE22 GLN 59 2HE2 GLN 59 1.372 8.996 6.671 467 H GLU 60 H GLU 60 1.150 4.010 11.355 468 HA GLU 60 HA GLU 60 3.051 2.340 10.192 469 HB2 GLU 60 1HB GLU 60 4.059 1.941 12.377 470 HB3 GLU 60 2HB GLU 60 3.636 3.623 12.189 471 HG2 GLU 60 1HG GLU 60 2.913 3.364 14.311 472 HG3 GLU 60 2HG GLU 60 1.470 2.735 13.515 473 H LYS 61 H LYS 61 0.309 1.301 12.247 474 HA LYS 61 HA LYS 61 0.674 -1.495 12.129 475 HB2 LYS 61 1HB LYS 61 -1.888 0.137 12.126 476 HB3 LYS 61 2HB LYS 61 -1.860 -1.597 12.303 477 HG2 LYS 61 1HG LYS 61 -0.294 0.016 14.252 478 HG3 LYS 61 2HG LYS 61 -2.050 0.069 14.366 479 HD2 LYS 61 1HD LYS 61 -1.185 -1.657 15.852 480 HD3 LYS 61 2HD LYS 61 -2.083 -2.404 14.540 481 HE2 LYS 61 1HE LYS 61 -0.067 -3.642 15.008 482 HE3 LYS 61 2HE LYS 61 0.044 -2.913 13.411 483 HZ1 LYS 61 3HZ LYS 61 2.071 -2.500 14.352 484 HZ2 LYS 61 1HZ LYS 61 1.470 -2.087 15.889 485 HZ3 LYS 61 2HZ LYS 61 1.283 -1.053 14.587 486 H GLY 62 H GLY 62 -0.598 0.749 9.936 487 HA2 GLY 62 1HA GLY 62 -1.951 -1.128 8.233 488 HA3 GLY 62 2HA GLY 62 -1.762 0.629 7.966 489 H ALA 63 H ALA 63 0.989 0.769 8.141 490 HA ALA 63 HA ALA 63 1.870 0.131 5.602 491 HB1 ALA 63 3HB ALA 63 4.118 0.576 6.462 492 HB2 ALA 63 1HB ALA 63 2.968 1.775 7.065 493 HB3 ALA 63 2HB ALA 63 3.510 0.470 8.116 494 H GLU 64 H GLU 64 2.503 -1.434 8.685 495 HA GLU 64 HA GLU 64 4.033 -3.615 7.935 496 HB2 GLU 64 1HB GLU 64 1.764 -3.918 9.881 497 HB3 GLU 64 2HB GLU 64 3.311 -4.743 9.868 498 HG2 GLU 64 1HG GLU 64 4.311 -2.377 10.318 499 HG3 GLU 64 2HG GLU 64 2.668 -1.958 10.599 500 H THR 65 H THR 65 0.557 -3.374 8.001 501 HA THR 65 HA THR 65 -0.054 -6.047 7.125 502 HB THR 65 HB THR 65 -1.756 -3.543 7.070 503 HG1 THR 65 1HG THR 65 -0.944 -3.817 9.198 504 HG21 THR 65 3HG2 THR 65 -2.473 -6.473 7.345 505 HG22 THR 65 1HG2 THR 65 -2.722 -5.495 5.900 506 HG23 THR 65 2HG2 THR 65 -3.618 -5.132 7.376 507 H SER 66 H SER 66 -0.047 -2.961 5.402 508 HA SER 66 HA SER 66 -0.756 -4.235 3.038 509 HG SER 66 HG SER 66 -1.411 -1.321 4.484 510 HB2 SER 66 1HB SER 66 0.366 -1.487 3.449 511 HB3 SER 66 2HB SER 66 -0.538 -2.074 2.040 512 H ILE 67 H ILE 67 2.368 -3.339 4.347 513 HA ILE 67 HA ILE 67 3.949 -3.837 2.088 514 HB ILE 67 HB ILE 67 4.537 -4.109 5.066 515 HG12 ILE 67 1HG1 ILE 67 5.403 -1.990 3.088 516 HG13 ILE 67 2HG1 ILE 67 4.026 -1.844 4.173 517 HG21 ILE 67 1HG2 ILE 67 6.541 -4.214 2.815 518 HG22 ILE 67 2HG2 ILE 67 6.085 -5.559 3.857 519 HG23 ILE 67 3HG2 ILE 67 6.925 -4.162 4.534 520 HD11 ILE 67 3HD1 ILE 67 5.914 -0.624 5.031 521 HD12 ILE 67 1HD1 ILE 67 6.919 -2.084 4.973 522 HD13 ILE 67 2HD1 ILE 67 5.541 -1.993 6.086 523 H ASP 68 H ASP 68 2.555 -5.894 4.532 524 HA ASP 68 HA ASP 68 3.907 -8.271 3.913 525 HB2 ASP 68 1HB ASP 68 2.634 -7.920 6.004 526 HB3 ASP 68 2HB ASP 68 1.136 -7.974 5.090 527 H TYR 69 H TYR 69 0.546 -7.325 2.857 528 HA TYR 69 HA TYR 69 0.648 -9.746 1.307 529 HD1 TYR 69 1HD TYR 69 -1.624 -9.624 -1.286 530 HD2 TYR 69 2HD TYR 69 -2.116 -10.734 2.777 531 HE1 TYR 69 1HE TYR 69 -2.491 -11.810 -1.984 532 HE2 TYR 69 2HE TYR 69 -2.992 -12.914 2.085 533 HH TYR 69 HH TYR 69 -3.982 -13.955 0.235 534 HB2 TYR 69 1HB TYR 69 -1.690 -8.516 2.203 535 HB3 TYR 69 2HB TYR 69 -1.596 -7.982 0.529 536 H LEU 70 H LEU 70 1.345 -6.448 0.513 537 HA LEU 70 HA LEU 70 1.053 -6.693 -2.308 538 HG LEU 70 HG LEU 70 2.989 -4.911 -3.229 539 HB2 LEU 70 1HB LEU 70 1.163 -4.569 -0.921 540 HB3 LEU 70 2HB LEU 70 2.881 -4.872 -0.769 541 HD11 LEU 70 1HD1 LEU 70 0.234 -3.713 -2.980 542 HD12 LEU 70 2HD1 LEU 70 0.659 -5.234 -3.768 543 HD13 LEU 70 3HD1 LEU 70 1.205 -3.700 -4.448 544 HD21 LEU 70 3HD2 LEU 70 2.182 -2.355 -1.872 545 HD22 LEU 70 1HD2 LEU 70 2.953 -2.444 -3.450 546 HD23 LEU 70 2HD2 LEU 70 3.811 -3.018 -2.020 547 H ILE 71 H ILE 71 3.891 -6.963 -0.176 548 HA ILE 71 HA ILE 71 5.584 -7.487 -2.413 549 HB ILE 71 HB ILE 71 6.107 -7.997 0.536 550 HG12 ILE 71 1HG1 ILE 71 6.845 -5.636 -1.213 551 HG13 ILE 71 2HG1 ILE 71 5.594 -5.645 0.017 552 HG21 ILE 71 1HG2 ILE 71 7.629 -9.274 -0.901 553 HG22 ILE 71 2HG2 ILE 71 8.484 -7.974 -0.072 554 HG23 ILE 71 3HG2 ILE 71 8.052 -7.799 -1.774 555 HD11 ILE 71 3HD1 ILE 71 7.280 -6.027 1.742 556 HD12 ILE 71 1HD1 ILE 71 7.608 -4.554 0.817 557 HD13 ILE 71 2HD1 ILE 71 8.539 -6.021 0.499 558 H LYS 72 H LYS 72 3.650 -9.466 -0.329 559 HA LYS 72 HA LYS 72 5.037 -11.881 -1.130 560 HB2 LYS 72 1HB LYS 72 2.706 -11.484 0.708 561 HB3 LYS 72 2HB LYS 72 3.592 -12.993 0.465 562 HG2 LYS 72 1HG LYS 72 5.624 -12.014 1.343 563 HG3 LYS 72 2HG LYS 72 4.782 -10.452 1.191 564 HD2 LYS 72 1HD LYS 72 4.999 -11.417 3.582 565 HD3 LYS 72 2HD LYS 72 3.425 -10.827 3.059 566 HE2 LYS 72 1HE LYS 72 2.854 -13.197 2.482 567 HE3 LYS 72 2HE LYS 72 4.373 -13.670 3.246 568 HZ1 LYS 72 3HZ LYS 72 2.237 -12.134 4.605 569 HZ2 LYS 72 1HZ LYS 72 3.629 -12.753 5.305 570 HZ3 LYS 72 2HZ LYS 72 2.440 -13.810 4.748 571 H ASN 73 H ASN 73 2.513 -10.099 -2.400 572 HA ASN 73 HA ASN 73 1.856 -12.436 -4.044 573 HB2 ASN 73 1HB ASN 73 -0.012 -12.110 -2.362 574 HB3 ASN 73 2HB ASN 73 -0.321 -10.551 -3.123 575 HD21 ASN 73 1HD2 ASN 73 -2.439 -11.048 -4.041 576 HD22 ASN 73 2HD2 ASN 73 -2.584 -12.215 -5.249 577 H GLU 74 H GLU 74 1.441 -8.939 -3.685 578 HA GLU 74 HA GLU 74 1.112 -8.938 -6.600 579 HB2 GLU 74 1HB GLU 74 -0.013 -6.834 -4.756 580 HB3 GLU 74 2HB GLU 74 -0.261 -6.930 -6.493 581 HG2 GLU 74 1HG GLU 74 -1.212 -8.944 -4.452 582 HG3 GLU 74 2HG GLU 74 -2.204 -7.737 -5.249 583 H LEU 75 H LEU 75 3.198 -8.980 -6.793 584 HA LEU 75 HA LEU 75 5.023 -7.002 -5.897 585 HG LEU 75 HG LEU 75 7.217 -7.366 -8.125 586 HB2 LEU 75 1HB LEU 75 5.677 -9.296 -6.384 587 HB3 LEU 75 2HB LEU 75 5.374 -9.027 -8.087 588 HD11 LEU 75 1HD1 LEU 75 8.769 -7.257 -6.234 589 HD12 LEU 75 2HD1 LEU 75 7.681 -8.269 -5.283 590 HD13 LEU 75 3HD1 LEU 75 7.169 -6.660 -5.797 591 HD21 LEU 75 3HD2 LEU 75 7.629 -9.673 -8.756 592 HD22 LEU 75 1HD2 LEU 75 7.958 -10.094 -7.075 593 HD23 LEU 75 2HD2 LEU 75 9.033 -8.993 -7.934 594 H GLU 76 H GLU 76 3.187 -7.251 -8.937 595 HA GLU 76 HA GLU 76 4.882 -5.319 -10.233 596 HB2 GLU 76 1HB GLU 76 3.370 -5.345 -12.122 597 HB3 GLU 76 2HB GLU 76 3.587 -6.997 -11.600 598 HG2 GLU 76 1HG GLU 76 1.191 -5.305 -10.892 599 HG3 GLU 76 2HG GLU 76 1.261 -6.367 -12.292 600 H ILE 77 H ILE 77 1.987 -5.334 -8.417 601 HA ILE 77 HA ILE 77 1.202 -2.665 -8.843 602 HB ILE 77 HB ILE 77 0.837 -4.364 -6.372 603 HG12 ILE 77 1HG1 ILE 77 -0.111 -5.327 -8.470 604 HG13 ILE 77 2HG1 ILE 77 -1.335 -4.968 -7.246 605 HG21 ILE 77 1HG2 ILE 77 -0.625 -1.860 -7.226 606 HG22 ILE 77 2HG2 ILE 77 0.534 -1.982 -5.905 607 HG23 ILE 77 3HG2 ILE 77 -1.001 -2.836 -5.805 608 HD11 ILE 77 3HD1 ILE 77 -0.704 -3.266 -9.657 609 HD12 ILE 77 1HD1 ILE 77 -1.961 -2.975 -8.452 610 HD13 ILE 77 2HD1 ILE 77 -2.063 -4.385 -9.507 611 H TRP 78 H TRP 78 3.339 -4.182 -6.487 612 HA TRP 78 HA TRP 78 4.028 -1.956 -4.962 613 HD1 TRP 78 HD TRP 78 5.867 -1.931 -2.739 614 HE1 TRP 78 1HE TRP 78 8.310 -1.218 -2.431 615 HE3 TRP 78 3HE TRP 78 7.941 -4.436 -6.685 616 HZ2 TRP 78 2HZ TRP 78 10.804 -1.687 -3.674 617 HZ3 TRP 78 3HZ TRP 78 10.369 -4.255 -7.049 618 HH2 TRP 78 HH TRP 78 11.769 -2.910 -5.573 619 HB2 TRP 78 1HB TRP 78 4.834 -4.099 -4.232 620 HB3 TRP 78 2HB TRP 78 5.684 -4.368 -5.754 621 H LYS 79 H LYS 79 5.387 -3.090 -7.941 622 HA LYS 79 HA LYS 79 7.435 -1.202 -8.181 623 HB2 LYS 79 1HB LYS 79 5.941 -2.652 -10.342 624 HB3 LYS 79 2HB LYS 79 7.519 -1.873 -10.530 625 HG2 LYS 79 1HG LYS 79 8.455 -3.418 -8.862 626 HG3 LYS 79 2HG LYS 79 6.880 -4.191 -8.708 627 HD2 LYS 79 1HD LYS 79 8.168 -5.555 -10.126 628 HD3 LYS 79 2HD LYS 79 7.018 -4.699 -11.150 629 HE2 LYS 79 1HE LYS 79 8.796 -3.057 -11.692 630 HE3 LYS 79 2HE LYS 79 9.925 -4.019 -10.745 631 HZ1 LYS 79 3HZ LYS 79 9.413 -5.903 -12.251 632 HZ2 LYS 79 1HZ LYS 79 10.139 -4.593 -13.042 633 HZ3 LYS 79 2HZ LYS 79 8.491 -4.848 -13.182 634 H GLU 80 H GLU 80 4.043 -1.048 -9.069 635 HA GLU 80 HA GLU 80 4.222 1.370 -10.525 636 HB2 GLU 80 1HB GLU 80 1.870 0.195 -9.045 637 HB3 GLU 80 2HB GLU 80 1.786 1.584 -10.116 638 HG2 GLU 80 1HG GLU 80 2.637 0.120 -11.952 639 HG3 GLU 80 2HG GLU 80 2.501 -1.245 -10.845 640 H LEU 81 H LEU 81 3.651 0.686 -7.100 641 HA LEU 81 HA LEU 81 3.296 3.405 -6.333 642 HG LEU 81 HG LEU 81 2.271 1.324 -3.388 643 HB2 LEU 81 1HB LEU 81 4.191 1.017 -4.683 644 HB3 LEU 81 2HB LEU 81 4.109 2.625 -4.049 645 HD11 LEU 81 1HD1 LEU 81 1.441 3.525 -5.298 646 HD12 LEU 81 2HD1 LEU 81 1.916 3.722 -3.608 647 HD13 LEU 81 3HD1 LEU 81 0.425 2.868 -4.013 648 HD21 LEU 81 3HD2 LEU 81 1.490 1.123 -6.287 649 HD22 LEU 81 1HD2 LEU 81 0.472 0.632 -4.935 650 HD23 LEU 81 2HD2 LEU 81 1.997 -0.199 -5.239 651 H THR 82 H THR 82 6.044 1.290 -6.417 652 HA THR 82 HA THR 82 8.104 3.021 -5.614 653 HB THR 82 HB THR 82 8.333 1.115 -7.962 654 HG1 THR 82 1HG THR 82 8.199 0.569 -5.169 655 HG21 THR 82 3HG2 THR 82 10.310 1.957 -5.832 656 HG22 THR 82 1HG2 THR 82 10.294 2.521 -7.507 657 HG23 THR 82 2HG2 THR 82 10.628 0.821 -7.149 658 H ALA 83 H ALA 83 6.848 2.575 -8.915 659 HA ALA 83 HA ALA 83 8.394 4.578 -10.077 660 HB1 ALA 83 3HB ALA 83 5.711 3.551 -10.985 661 HB2 ALA 83 1HB ALA 83 6.864 4.445 -11.974 662 HB3 ALA 83 2HB ALA 83 7.275 2.838 -11.372 663 H HIS 84 H HIS 84 5.554 4.809 -8.183 664 HA HIS 84 HA HIS 84 4.808 7.454 -9.079 665 HD1 HIS 84 1HD HIS 84 1.430 7.738 -8.896 666 HD2 HIS 84 2HD HIS 84 3.308 8.258 -5.218 667 HE1 HIS 84 1HE HIS 84 0.162 9.548 -7.734 668 HE2 HIS 84 2HE HIS 84 1.469 10.005 -5.645 669 HB2 HIS 84 1HB HIS 84 3.071 5.850 -8.327 670 HB3 HIS 84 2HB HIS 84 3.785 5.839 -6.725 671 H PHE 85 H PHE 85 6.429 6.055 -6.247 672 HA PHE 85 HA PHE 85 6.727 8.737 -5.130 673 HD1 PHE 85 2HD PHE 85 5.472 9.041 -3.024 674 HD2 PHE 85 1HD PHE 85 5.686 4.815 -3.395 675 HE1 PHE 85 2HE PHE 85 3.210 8.845 -2.056 676 HE2 PHE 85 1HE PHE 85 3.436 4.607 -2.423 677 HZ PHE 85 HZ PHE 85 2.195 6.625 -1.753 678 HB2 PHE 85 1HB PHE 85 7.522 6.071 -3.945 679 HB3 PHE 85 2HB PHE 85 7.715 7.634 -3.167 680 H ASP 86 H ASP 86 8.978 5.996 -5.645 681 HA ASP 86 HA ASP 86 11.010 7.952 -6.360 682 HB2 ASP 86 1HB ASP 86 11.414 7.238 -3.996 683 HB3 ASP 86 2HB ASP 86 11.496 5.565 -4.539 684 HA PRO 87 HA PRO 87 10.467 4.690 -9.464 685 HB2 PRO 87 1HB PRO 87 10.859 6.236 -11.634 686 HB3 PRO 87 2HB PRO 87 9.344 6.217 -10.701 687 HG2 PRO 87 1HG PRO 87 11.620 8.165 -10.504 688 HG3 PRO 87 2HG PRO 87 9.884 8.515 -10.675 689 HD2 PRO 87 1HD PRO 87 11.178 8.559 -8.320 690 HD3 PRO 87 2HD PRO 87 9.480 8.050 -8.454 691 H ASP 88 H ASP 88 13.044 6.447 -8.406 692 HA ASP 88 HA ASP 88 15.030 5.575 -10.314 693 HB2 ASP 88 1HB ASP 88 15.287 6.890 -7.602 694 HB3 ASP 88 2HB ASP 88 16.654 6.483 -8.627 695 H GLY 89 H GLY 89 13.546 4.407 -7.448 696 HA2 GLY 89 1HA GLY 89 13.686 2.333 -6.471 697 HA3 GLY 89 2HA GLY 89 14.890 1.879 -7.679 698 H LYS 90 H LYS 90 14.993 4.681 -5.614 699 HA LYS 90 HA LYS 90 17.670 4.063 -4.831 700 HB2 LYS 90 1HB LYS 90 17.047 6.364 -5.297 701 HB3 LYS 90 2HB LYS 90 15.810 6.307 -4.055 702 HG2 LYS 90 1HG LYS 90 17.786 7.532 -3.301 703 HG3 LYS 90 2HG LYS 90 17.504 6.092 -2.325 704 HD2 LYS 90 1HD LYS 90 19.851 6.236 -2.781 705 HD3 LYS 90 2HD LYS 90 19.192 4.894 -3.685 706 HE2 LYS 90 1HE LYS 90 20.734 6.166 -5.075 707 HE3 LYS 90 2HE LYS 90 19.097 6.254 -5.724 708 HZ1 LYS 90 3HZ LYS 90 18.937 8.484 -4.584 709 HZ2 LYS 90 1HZ LYS 90 20.100 8.412 -5.797 710 HZ3 LYS 90 2HZ LYS 90 20.567 8.333 -4.210 711 H TRP 91 H TRP 91 14.588 4.366 -3.167 712 HA TRP 91 HA TRP 91 15.820 3.618 -0.692 713 HD1 TRP 91 HD TRP 91 13.251 6.722 -2.286 714 HE1 TRP 91 1HE TRP 91 14.467 8.844 -1.564 715 HE3 TRP 91 3HE TRP 91 15.817 4.836 1.713 716 HZ2 TRP 91 2HZ TRP 91 16.298 9.635 0.452 717 HZ3 TRP 91 3HZ TRP 91 17.282 6.344 2.984 718 HH2 TRP 91 HH TRP 91 17.518 8.693 2.366 719 HB2 TRP 91 1HB TRP 91 12.951 4.349 -1.300 720 HB3 TRP 91 2HB TRP 91 13.600 4.069 0.318 721 H ARG 92 H ARG 92 15.774 1.799 -2.731 722 HA ARG 92 HA ARG 92 14.014 -0.389 -2.333 723 HE ARG 92 HE ARG 92 19.493 0.735 -4.142 724 HB2 ARG 92 1HB ARG 92 15.843 -1.718 -3.399 725 HB3 ARG 92 2HB ARG 92 15.386 -0.290 -4.318 726 HG2 ARG 92 1HG ARG 92 17.313 0.909 -3.463 727 HG3 ARG 92 2HG ARG 92 17.752 -0.474 -2.467 728 HD2 ARG 92 1HD ARG 92 18.172 -1.792 -4.397 729 HD3 ARG 92 2HD ARG 92 17.573 -0.516 -5.466 730 HH11 ARG 92 1HH1 ARG 92 19.528 -2.480 -5.657 731 HH12 ARG 92 2HH1 ARG 92 21.137 -2.360 -6.212 732 HH21 ARG 92 1HH2 ARG 92 21.720 0.888 -4.933 733 HH22 ARG 92 2HH2 ARG 92 22.413 -0.411 -5.776 734 H LYS 93 H LYS 93 16.861 0.778 -0.737 735 HA LYS 93 HA LYS 93 17.213 -1.567 0.823 736 HB2 LYS 93 1HB LYS 93 19.126 -0.192 0.195 737 HB3 LYS 93 2HB LYS 93 18.456 1.154 1.092 738 HG2 LYS 93 1HG LYS 93 18.833 0.124 3.190 739 HG3 LYS 93 2HG LYS 93 19.055 -1.462 2.462 740 HD2 LYS 93 1HD LYS 93 20.944 0.851 2.048 741 HD3 LYS 93 2HD LYS 93 21.150 -0.362 3.306 742 HE2 LYS 93 1HE LYS 93 21.082 -0.897 0.320 743 HE3 LYS 93 2HE LYS 93 22.511 -0.872 1.346 744 HZ1 LYS 93 3HZ LYS 93 21.846 -3.121 0.973 745 HZ2 LYS 93 1HZ LYS 93 20.280 -2.883 1.540 746 HZ3 LYS 93 2HZ LYS 93 21.576 -2.772 2.583 747 H LYS 94 H LYS 94 15.359 1.346 1.135 748 HA LYS 94 HA LYS 94 14.970 0.921 3.950 749 HB2 LYS 94 1HB LYS 94 14.738 3.203 2.754 750 HB3 LYS 94 2HB LYS 94 13.189 2.610 2.171 751 HG2 LYS 94 1HG LYS 94 12.831 3.983 4.125 752 HG3 LYS 94 2HG LYS 94 12.459 2.303 4.526 753 HD2 LYS 94 1HD LYS 94 14.677 2.053 5.560 754 HD3 LYS 94 2HD LYS 94 15.065 3.718 5.140 755 HE2 LYS 94 1HE LYS 94 14.462 3.609 7.458 756 HE3 LYS 94 2HE LYS 94 13.189 4.446 6.580 757 HZ1 LYS 94 3HZ LYS 94 13.038 1.556 7.335 758 HZ2 LYS 94 1HZ LYS 94 11.792 2.524 6.715 759 HZ3 LYS 94 2HZ LYS 94 12.381 2.809 8.238 760 H TYR 95 H TYR 95 13.414 0.216 0.926 761 HA TYR 95 HA TYR 95 11.140 -1.156 1.792 762 HD1 TYR 95 2HD TYR 95 9.433 -2.450 -0.367 763 HD2 TYR 95 1HD TYR 95 13.464 -3.404 -1.295 764 HE1 TYR 95 2HE TYR 95 8.710 -4.576 -1.365 765 HE2 TYR 95 1HE TYR 95 12.753 -5.526 -2.290 766 HH TYR 95 HH TYR 95 9.539 -6.190 -3.036 767 HB2 TYR 95 1HB TYR 95 11.221 -0.735 -0.486 768 HB3 TYR 95 2HB TYR 95 12.909 -1.209 -0.631 769 H GLU 96 H GLU 96 14.407 -2.264 1.166 770 HA GLU 96 HA GLU 96 14.371 -4.944 1.852 771 HB2 GLU 96 1HB GLU 96 16.220 -3.572 0.890 772 HB3 GLU 96 2HB GLU 96 16.459 -2.854 2.463 773 HG2 GLU 96 1HG GLU 96 16.974 -5.176 3.290 774 HG3 GLU 96 2HG GLU 96 17.017 -5.653 1.589 775 H ASP 97 H ASP 97 15.129 -2.140 3.900 776 HA ASP 97 HA ASP 97 15.311 -3.262 6.426 777 HB2 ASP 97 1HB ASP 97 15.983 -1.012 6.149 778 HB3 ASP 97 2HB ASP 97 14.449 -0.558 5.433 779 H ARG 98 H ARG 98 12.468 -1.757 4.974 780 HA ARG 98 HA ARG 98 10.649 -2.237 7.021 781 HE ARG 98 HE ARG 98 8.073 -0.444 3.648 782 HB2 ARG 98 1HB ARG 98 10.412 -1.734 4.103 783 HB3 ARG 98 2HB ARG 98 8.982 -2.118 5.044 784 HG2 ARG 98 1HG ARG 98 9.020 -0.134 6.170 785 HG3 ARG 98 2HG ARG 98 10.773 0.023 6.044 786 HD2 ARG 98 1HD ARG 98 9.305 1.602 4.643 787 HD3 ARG 98 2HD ARG 98 10.680 0.822 3.870 788 HH11 ARG 98 1HH1 ARG 98 10.412 1.696 2.128 789 HH12 ARG 98 2HH1 ARG 98 9.967 1.279 0.520 790 HH21 ARG 98 1HH2 ARG 98 7.552 -1.102 1.439 791 HH22 ARG 98 2HH2 ARG 98 8.401 -0.361 0.144 792 H ALA 99 H ALA 99 11.325 -4.209 4.171 793 HA ALA 99 HA ALA 99 9.256 -6.048 4.823 794 HB1 ALA 99 3HB ALA 99 10.117 -7.343 2.927 795 HB2 ALA 99 1HB ALA 99 9.896 -5.639 2.523 796 HB3 ALA 99 2HB ALA 99 11.511 -6.262 2.858 797 H LYS 100 H LYS 100 12.834 -6.303 4.917 798 HA LYS 100 HA LYS 100 12.501 -8.968 5.850 799 HB2 LYS 100 1HB LYS 100 14.216 -8.166 4.162 800 HB3 LYS 100 2HB LYS 100 15.116 -7.534 5.527 801 HG2 LYS 100 1HG LYS 100 15.965 -9.705 4.848 802 HG3 LYS 100 2HG LYS 100 15.269 -9.757 6.472 803 HD2 LYS 100 1HD LYS 100 13.219 -10.739 5.590 804 HD3 LYS 100 2HD LYS 100 13.852 -10.625 3.953 805 HE2 LYS 100 1HE LYS 100 15.110 -12.253 6.152 806 HE3 LYS 100 2HE LYS 100 14.026 -12.901 4.925 807 HZ1 LYS 100 3HZ LYS 100 16.636 -11.578 4.369 808 HZ2 LYS 100 1HZ LYS 100 15.604 -12.294 3.226 809 HZ3 LYS 100 2HZ LYS 100 16.350 -13.237 4.390 810 H ALA 101 H ALA 101 12.796 -5.962 7.455 811 HA ALA 101 HA ALA 101 13.883 -7.175 9.845 812 HB1 ALA 101 3HB ALA 101 14.358 -4.804 9.369 813 HB2 ALA 101 1HB ALA 101 12.640 -4.442 9.533 814 HB3 ALA 101 2HB ALA 101 13.555 -5.018 10.927 815 H LYS 102 H LYS 102 10.791 -6.525 8.469 816 HA LYS 102 HA LYS 102 9.371 -7.039 10.948 817 HB2 LYS 102 1HB LYS 102 8.328 -6.736 8.128 818 HB3 LYS 102 2HB LYS 102 7.324 -6.868 9.562 819 HG2 LYS 102 1HG LYS 102 9.292 -4.656 9.003 820 HG3 LYS 102 2HG LYS 102 7.549 -4.574 8.751 821 HD2 LYS 102 1HD LYS 102 8.846 -5.102 11.436 822 HD3 LYS 102 2HD LYS 102 8.367 -3.508 10.868 823 HE2 LYS 102 1HE LYS 102 6.062 -4.282 10.645 824 HE3 LYS 102 2HE LYS 102 6.537 -5.871 11.225 825 HZ1 LYS 102 3HZ LYS 102 5.512 -4.416 12.858 826 HZ2 LYS 102 1HZ LYS 102 6.837 -3.381 12.832 827 HZ3 LYS 102 2HZ LYS 102 7.029 -4.973 13.363 828 H GLY 103 H GLY 103 10.593 -8.772 8.333 829 HA2 GLY 103 1HA GLY 103 10.920 -11.151 8.603 830 HA3 GLY 103 2HA GLY 103 9.384 -11.210 9.455 831 H ILE 104 H ILE 104 9.586 -9.317 6.572 832 HA ILE 104 HA ILE 104 7.717 -11.082 5.288 833 HB ILE 104 HB ILE 104 9.077 -8.568 4.268 834 HG12 ILE 104 1HG1 ILE 104 7.630 -7.972 6.099 835 HG13 ILE 104 2HG1 ILE 104 6.844 -7.521 4.584 836 HG21 ILE 104 1HG2 ILE 104 6.757 -10.072 3.057 837 HG22 ILE 104 2HG2 ILE 104 8.393 -9.970 2.407 838 HG23 ILE 104 3HG2 ILE 104 7.388 -8.521 2.494 839 HD11 ILE 104 3HD1 ILE 104 5.445 -9.520 4.721 840 HD12 ILE 104 1HD1 ILE 104 5.241 -8.465 6.122 841 HD13 ILE 104 2HD1 ILE 104 6.204 -9.931 6.259 842 H VAL 105 H VAL 105 8.232 -12.645 3.956 843 HA VAL 105 HA VAL 105 10.934 -13.287 3.576 844 HB VAL 105 HB VAL 105 9.345 -15.082 3.878 845 HG11 VAL 105 1HG1 VAL 105 7.360 -14.136 2.881 846 HG12 VAL 105 2HG1 VAL 105 8.077 -14.270 1.273 847 HG13 VAL 105 3HG1 VAL 105 7.693 -15.726 2.194 848 HG21 VAL 105 3HG2 VAL 105 10.547 -15.173 1.110 849 HG22 VAL 105 1HG2 VAL 105 9.967 -16.575 2.011 850 HG23 VAL 105 2HG2 VAL 105 11.338 -15.645 2.615 851 H ILE 106 H ILE 106 12.111 -11.992 2.426 852 HA ILE 106 HA ILE 106 11.618 -11.955 -0.443 853 HB ILE 106 HB ILE 106 12.534 -9.728 -0.684 854 HG12 ILE 106 1HG1 ILE 106 13.208 -9.926 2.240 855 HG13 ILE 106 2HG1 ILE 106 14.302 -9.841 0.906 856 HG21 ILE 106 1HG2 ILE 106 10.596 -9.635 1.611 857 HG22 ILE 106 2HG2 ILE 106 10.198 -9.683 -0.107 858 HG23 ILE 106 3HG2 ILE 106 11.015 -8.273 0.568 859 HD11 ILE 106 3HD1 ILE 106 14.231 -7.678 2.059 860 HD12 ILE 106 1HD1 ILE 106 12.508 -7.559 1.696 861 HD13 ILE 106 2HD1 ILE 106 13.689 -7.557 0.387 862 HA PRO 107 HA PRO 107 15.619 -13.668 -0.071 863 HB2 PRO 107 1HB PRO 107 16.471 -13.702 -2.546 864 HB3 PRO 107 2HB PRO 107 14.923 -14.441 -2.034 865 HG2 PRO 107 1HG PRO 107 15.326 -11.808 -3.409 866 HG3 PRO 107 2HG PRO 107 14.191 -13.107 -3.823 867 HD2 PRO 107 1HD PRO 107 13.596 -10.909 -2.232 868 HD3 PRO 107 2HD PRO 107 12.689 -12.438 -2.247 869 H GLU 108 H GLU 108 17.666 -13.205 0.354 870 HA GLU 108 HA GLU 108 18.815 -10.777 -0.674 871 HB2 GLU 108 1HB GLU 108 19.891 -10.317 1.533 872 HB3 GLU 108 2HB GLU 108 18.148 -10.149 1.576 873 HG2 GLU 108 1HG GLU 108 17.960 -12.332 2.619 874 HG3 GLU 108 2HG GLU 108 19.721 -12.485 2.570 Start of MODEL 2 1 HA TYR 1 HA TYR 1 -18.835 0.615 1.828 2 HD1 TYR 1 2HD TYR 1 -19.057 2.545 0.732 3 HD2 TYR 1 1HD TYR 1 -21.202 0.074 -1.981 4 HE1 TYR 1 2HE TYR 1 -18.285 3.939 -1.136 5 HE2 TYR 1 1HE TYR 1 -20.426 1.461 -3.855 6 HH TYR 1 HH TYR 1 -17.890 3.605 -3.608 7 H1 TYR 1 1HT TYR 1 -17.657 -1.192 1.035 8 H2 TYR 1 2HT TYR 1 -18.300 -0.446 -0.333 9 H3 TYR 1 3HT TYR 1 -18.993 -1.860 0.288 10 HB2 TYR 1 1HB TYR 1 -21.189 -0.503 0.273 11 HB3 TYR 1 2HB TYR 1 -21.242 0.913 1.325 12 H THR 2 H THR 2 -18.033 -2.028 2.437 13 HA THR 2 HA THR 2 -18.659 -2.469 4.854 14 HB THR 2 HB THR 2 -21.061 -2.838 4.470 15 HG1 THR 2 1HG THR 2 -20.161 -5.454 4.860 16 HG21 THR 2 3HG2 THR 2 -21.952 -4.705 3.103 17 HG22 THR 2 1HG2 THR 2 -20.310 -5.057 2.558 18 HG23 THR 2 2HG2 THR 2 -21.078 -3.527 2.125 19 H ASP 3 H ASP 3 -16.475 -2.792 4.436 20 HA ASP 3 HA ASP 3 -14.589 -4.104 4.466 21 HB2 ASP 3 1HB ASP 3 -16.439 -6.457 3.888 22 HB3 ASP 3 2HB ASP 3 -14.741 -6.588 4.287 23 H LYS 4 H LYS 4 -15.760 -2.884 1.964 24 HA LYS 4 HA LYS 4 -14.317 -4.387 -0.063 25 HB2 LYS 4 1HB LYS 4 -17.327 -4.165 -0.272 26 HB3 LYS 4 2HB LYS 4 -16.278 -4.668 -1.578 27 HG2 LYS 4 1HG LYS 4 -16.558 -6.129 1.034 28 HG3 LYS 4 2HG LYS 4 -17.482 -6.503 -0.416 29 HD2 LYS 4 1HD LYS 4 -15.420 -7.037 -1.602 30 HD3 LYS 4 2HD LYS 4 -14.474 -6.594 -0.178 31 HE2 LYS 4 1HE LYS 4 -14.795 -9.037 -0.387 32 HE3 LYS 4 2HE LYS 4 -15.475 -8.377 1.100 33 HZ1 LYS 4 3HZ LYS 4 -16.957 -9.970 0.023 34 HZ2 LYS 4 1HZ LYS 4 -17.047 -9.004 -1.353 35 HZ3 LYS 4 2HZ LYS 4 -17.658 -8.451 0.122 36 H TYR 5 H TYR 5 -13.268 -2.672 -0.910 37 HA TYR 5 HA TYR 5 -12.750 -0.757 -1.856 38 HD1 TYR 5 1HD TYR 5 -16.530 0.668 -3.510 39 HD2 TYR 5 2HD TYR 5 -15.253 -3.369 -3.890 40 HE1 TYR 5 1HE TYR 5 -18.819 0.001 -4.076 41 HE2 TYR 5 2HE TYR 5 -17.552 -4.045 -4.455 42 HH TYR 5 HH TYR 5 -19.955 -1.757 -5.231 43 HB2 TYR 5 1HB TYR 5 -14.245 0.169 -3.674 44 HB3 TYR 5 2HB TYR 5 -13.607 -1.403 -3.973 45 H ASP 6 H ASP 6 -14.196 -0.551 0.551 46 HA ASP 6 HA ASP 6 -15.308 2.118 0.218 47 HB2 ASP 6 1HB ASP 6 -16.164 1.690 2.615 48 HB3 ASP 6 2HB ASP 6 -16.938 0.888 1.253 49 H LYS 7 H LYS 7 -13.643 0.536 2.759 50 HA LYS 7 HA LYS 7 -11.941 2.820 3.383 51 HB2 LYS 7 1HB LYS 7 -13.985 3.802 4.103 52 HB3 LYS 7 2HB LYS 7 -14.553 2.304 4.803 53 HG2 LYS 7 1HG LYS 7 -12.730 2.590 6.551 54 HG3 LYS 7 2HG LYS 7 -12.512 4.223 5.908 55 HD2 LYS 7 1HD LYS 7 -14.754 4.832 6.424 56 HD3 LYS 7 2HD LYS 7 -15.203 3.165 6.766 57 HE2 LYS 7 1HE LYS 7 -14.997 4.393 8.836 58 HE3 LYS 7 2HE LYS 7 -13.710 3.198 8.734 59 HZ1 LYS 7 3HZ LYS 7 -12.209 4.971 8.041 60 HZ2 LYS 7 1HZ LYS 7 -12.898 5.321 9.538 61 HZ3 LYS 7 2HZ LYS 7 -13.464 6.084 8.139 62 H ILE 8 H ILE 8 -13.827 0.395 5.155 63 HA ILE 8 HA ILE 8 -11.614 -0.445 6.854 64 HB ILE 8 HB ILE 8 -13.386 -1.856 7.922 65 HG12 ILE 8 1HG1 ILE 8 -15.278 -0.500 5.977 66 HG13 ILE 8 2HG1 ILE 8 -14.751 -2.167 5.813 67 HG21 ILE 8 1HG2 ILE 8 -14.691 0.009 8.845 68 HG22 ILE 8 2HG2 ILE 8 -14.100 1.050 7.552 69 HG23 ILE 8 3HG2 ILE 8 -12.972 0.397 8.742 70 HD11 ILE 8 3HD1 ILE 8 -15.816 -2.680 7.951 71 HD12 ILE 8 1HD1 ILE 8 -16.952 -2.002 6.785 72 HD13 ILE 8 2HD1 ILE 8 -16.322 -0.997 8.092 73 H ASN 9 H ASN 9 -11.084 -1.003 4.390 74 HA ASN 9 HA ASN 9 -11.674 -3.851 3.931 75 HB2 ASN 9 1HB ASN 9 -12.287 -3.427 1.692 76 HB3 ASN 9 2HB ASN 9 -13.072 -2.161 2.622 77 HD21 ASN 9 1HD2 ASN 9 -10.763 -0.363 2.924 78 HD22 ASN 9 2HD2 ASN 9 -10.165 -0.054 1.366 79 H LEU 10 H LEU 10 -9.038 -2.202 4.783 80 HA LEU 10 HA LEU 10 -7.470 -1.801 2.456 81 HG LEU 10 HG LEU 10 -5.869 0.274 5.132 82 HB2 LEU 10 1HB LEU 10 -6.310 -2.211 5.259 83 HB3 LEU 10 2HB LEU 10 -5.502 -1.618 3.860 84 HD11 LEU 10 1HD1 LEU 10 -7.254 1.674 3.834 85 HD12 LEU 10 2HD1 LEU 10 -7.969 0.264 3.054 86 HD13 LEU 10 3HD1 LEU 10 -6.247 0.608 2.854 87 HD21 LEU 10 3HD2 LEU 10 -7.616 -0.723 6.635 88 HD22 LEU 10 1HD2 LEU 10 -8.821 -0.315 5.407 89 HD23 LEU 10 2HD2 LEU 10 -7.875 0.966 6.187 90 H GLN 11 H GLN 11 -7.131 -4.250 4.906 91 HA GLN 11 HA GLN 11 -5.419 -5.790 3.229 92 HB2 GLN 11 1HB GLN 11 -5.178 -5.713 5.708 93 HB3 GLN 11 2HB GLN 11 -6.705 -6.571 5.840 94 HG2 GLN 11 1HG GLN 11 -4.823 -8.099 6.103 95 HG3 GLN 11 2HG GLN 11 -5.763 -8.482 4.663 96 HE21 GLN 11 1HE2 GLN 11 -3.487 -5.840 4.884 97 HE22 GLN 11 2HE2 GLN 11 -2.308 -6.472 3.828 98 H GLU 12 H GLU 12 -8.808 -5.466 3.671 99 HA GLU 12 HA GLU 12 -9.565 -8.212 3.236 100 HB2 GLU 12 1HB GLU 12 -11.094 -5.607 3.084 101 HB3 GLU 12 2HB GLU 12 -11.840 -7.158 2.785 102 HG2 GLU 12 1HG GLU 12 -12.306 -6.300 5.050 103 HG3 GLU 12 2HG GLU 12 -11.477 -7.848 5.066 104 H ILE 13 H ILE 13 -8.965 -5.408 1.449 105 HA ILE 13 HA ILE 13 -9.752 -6.453 -1.090 106 HB ILE 13 HB ILE 13 -8.461 -3.936 -0.131 107 HG12 ILE 13 1HG1 ILE 13 -10.841 -4.104 0.220 108 HG13 ILE 13 2HG1 ILE 13 -10.474 -2.891 -0.998 109 HG21 ILE 13 1HG2 ILE 13 -8.480 -3.106 -2.394 110 HG22 ILE 13 2HG2 ILE 13 -9.036 -4.685 -2.951 111 HG23 ILE 13 3HG2 ILE 13 -7.436 -4.523 -2.230 112 HD11 ILE 13 3HD1 ILE 13 -12.355 -4.059 -1.780 113 HD12 ILE 13 1HD1 ILE 13 -11.601 -5.627 -1.397 114 HD13 ILE 13 2HD1 ILE 13 -10.932 -4.625 -2.679 115 H LEU 14 H LEU 14 -6.671 -5.324 0.410 116 HA LEU 14 HA LEU 14 -4.982 -5.785 -1.615 117 HG LEU 14 HG LEU 14 -2.485 -6.901 0.136 118 HB2 LEU 14 1HB LEU 14 -4.416 -4.600 0.408 119 HB3 LEU 14 2HB LEU 14 -4.452 -6.093 1.316 120 HD11 LEU 14 1HD1 LEU 14 -2.894 -5.810 -2.022 121 HD12 LEU 14 2HD1 LEU 14 -1.282 -5.463 -1.426 122 HD13 LEU 14 3HD1 LEU 14 -2.552 -4.241 -1.296 123 HD21 LEU 14 3HD2 LEU 14 -0.887 -5.408 1.107 124 HD22 LEU 14 1HD2 LEU 14 -2.282 -5.477 2.161 125 HD23 LEU 14 2HD2 LEU 14 -2.051 -4.084 1.113 126 H GLU 15 H GLU 15 -6.227 -8.264 0.501 127 HA GLU 15 HA GLU 15 -4.243 -10.160 -0.196 128 HB2 GLU 15 1HB GLU 15 -5.521 -10.202 1.923 129 HB3 GLU 15 2HB GLU 15 -6.957 -10.694 1.031 130 HG2 GLU 15 1HG GLU 15 -5.848 -12.757 0.380 131 HG3 GLU 15 2HG GLU 15 -4.378 -12.245 1.207 132 H ASN 16 H ASN 16 -6.743 -8.965 -2.089 133 HA ASN 16 HA ASN 16 -6.548 -11.277 -3.917 134 HB2 ASN 16 1HB ASN 16 -9.158 -9.855 -3.306 135 HB3 ASN 16 2HB ASN 16 -8.937 -11.173 -4.440 136 HD21 ASN 16 1HD2 ASN 16 -9.313 -10.246 -1.168 137 HD22 ASN 16 2HD2 ASN 16 -9.497 -11.825 -0.504 138 H LYS 17 H LYS 17 -5.847 -10.454 -5.862 139 HA LYS 17 HA LYS 17 -5.755 -7.665 -6.197 140 HB2 LYS 17 1HB LYS 17 -4.883 -7.952 -8.487 141 HB3 LYS 17 2HB LYS 17 -3.988 -8.847 -7.283 142 HG2 LYS 17 1HG LYS 17 -6.094 -10.139 -8.971 143 HG3 LYS 17 2HG LYS 17 -4.452 -9.916 -9.559 144 HD2 LYS 17 1HD LYS 17 -3.617 -11.100 -7.518 145 HD3 LYS 17 2HD LYS 17 -5.289 -11.469 -7.117 146 HE2 LYS 17 1HE LYS 17 -5.570 -12.765 -9.076 147 HE3 LYS 17 2HE LYS 17 -4.017 -12.245 -9.726 148 HZ1 LYS 17 3HZ LYS 17 -4.436 -13.961 -7.328 149 HZ2 LYS 17 1HZ LYS 17 -2.941 -13.381 -7.869 150 HZ3 LYS 17 2HZ LYS 17 -3.839 -14.439 -8.824 151 H ARG 18 H ARG 18 -8.214 -9.851 -7.248 152 HA ARG 18 HA ARG 18 -9.320 -7.920 -9.055 153 HE ARG 18 HE ARG 18 -11.150 -12.881 -6.337 154 HB2 ARG 18 1HB ARG 18 -11.385 -9.300 -9.086 155 HB3 ARG 18 2HB ARG 18 -9.935 -10.256 -9.344 156 HG2 ARG 18 1HG ARG 18 -10.047 -10.959 -6.953 157 HG3 ARG 18 2HG ARG 18 -11.557 -10.075 -6.827 158 HD2 ARG 18 1HD ARG 18 -12.636 -11.484 -8.403 159 HD3 ARG 18 2HD ARG 18 -11.111 -12.255 -8.848 160 HH11 ARG 18 1HH1 ARG 18 -13.870 -13.051 -8.612 161 HH12 ARG 18 2HH1 ARG 18 -14.668 -14.291 -7.754 162 HH21 ARG 18 1HH2 ARG 18 -12.239 -14.546 -5.210 163 HH22 ARG 18 2HH2 ARG 18 -13.733 -15.157 -5.749 164 H LEU 19 H LEU 19 -9.681 -8.561 -5.666 165 HA LEU 19 HA LEU 19 -11.712 -6.592 -5.342 166 HG LEU 19 HG LEU 19 -11.526 -9.538 -4.133 167 HB2 LEU 19 1HB LEU 19 -9.918 -7.917 -3.311 168 HB3 LEU 19 2HB LEU 19 -11.201 -6.798 -2.915 169 HD11 LEU 19 1HD1 LEU 19 -11.057 -9.554 -1.751 170 HD12 LEU 19 2HD1 LEU 19 -12.730 -10.017 -2.053 171 HD13 LEU 19 3HD1 LEU 19 -12.354 -8.399 -1.468 172 HD21 LEU 19 3HD2 LEU 19 -13.953 -9.125 -3.957 173 HD22 LEU 19 1HD2 LEU 19 -13.182 -8.037 -5.111 174 HD23 LEU 19 2HD2 LEU 19 -13.629 -7.457 -3.506 175 H LEU 20 H LEU 20 -8.274 -6.717 -5.425 176 HA LEU 20 HA LEU 20 -7.657 -4.203 -4.317 177 HG LEU 20 HG LEU 20 -5.301 -3.311 -5.731 178 HB2 LEU 20 1HB LEU 20 -6.090 -6.112 -4.972 179 HB3 LEU 20 2HB LEU 20 -6.200 -5.489 -6.613 180 HD11 LEU 20 1HD1 LEU 20 -4.733 -5.031 -3.357 181 HD12 LEU 20 2HD1 LEU 20 -5.973 -3.782 -3.384 182 HD13 LEU 20 3HD1 LEU 20 -4.255 -3.340 -3.539 183 HD21 LEU 20 3HD2 LEU 20 -3.018 -4.136 -5.560 184 HD22 LEU 20 1HD2 LEU 20 -3.893 -4.941 -6.875 185 HD23 LEU 20 2HD2 LEU 20 -3.646 -5.772 -5.330 186 H GLU 21 H GLU 21 -8.327 -5.288 -7.548 187 HA GLU 21 HA GLU 21 -8.356 -2.926 -8.926 188 HB2 GLU 21 1HB GLU 21 -9.874 -5.478 -9.187 189 HB3 GLU 21 2HB GLU 21 -10.144 -4.160 -10.314 190 HG2 GLU 21 1HG GLU 21 -7.483 -5.399 -9.731 191 HG3 GLU 21 2HG GLU 21 -8.475 -5.839 -11.116 192 H SER 22 H SER 22 -10.809 -4.253 -6.805 193 HA SER 22 HA SER 22 -12.811 -2.373 -7.414 194 HG SER 22 HG SER 22 -12.932 -4.736 -7.234 195 HB2 SER 22 1HB SER 22 -12.412 -3.792 -4.774 196 HB3 SER 22 2HB SER 22 -13.913 -3.099 -5.400 197 H TYR 23 H TYR 23 -10.444 -2.250 -4.575 198 HA TYR 23 HA TYR 23 -11.358 0.509 -4.267 199 HD1 TYR 23 1HD TYR 23 -7.965 -1.215 -3.890 200 HD2 TYR 23 2HD TYR 23 -9.314 -0.041 -0.051 201 HE1 TYR 23 1HE TYR 23 -5.741 -1.699 -2.953 202 HE2 TYR 23 2HE TYR 23 -7.134 -0.491 0.912 203 HH TYR 23 HH TYR 23 -4.396 -1.076 -1.058 204 HB2 TYR 23 1HB TYR 23 -10.372 0.751 -2.163 205 HB3 TYR 23 2HB TYR 23 -10.924 -0.862 -1.991 206 H MET 24 H MET 24 -9.512 -0.699 -6.311 207 HA MET 24 HA MET 24 -7.140 0.741 -6.315 208 HB2 MET 24 1HB MET 24 -7.865 -1.195 -7.831 209 HB3 MET 24 2HB MET 24 -8.636 0.023 -8.833 210 HG2 MET 24 1HG MET 24 -6.404 -0.632 -9.644 211 HG3 MET 24 2HG MET 24 -6.508 1.084 -9.242 212 HE1 MET 24 3HE MET 24 -3.755 0.852 -9.438 213 HE2 MET 24 1HE MET 24 -2.804 -0.163 -8.352 214 HE3 MET 24 2HE MET 24 -3.840 -0.903 -9.573 215 H ASP 25 H ASP 25 -10.334 1.731 -6.838 216 HA ASP 25 HA ASP 25 -10.140 4.153 -8.234 217 HB2 ASP 25 1HB ASP 25 -12.266 3.445 -7.574 218 HB3 ASP 25 2HB ASP 25 -11.797 3.374 -5.878 219 H CYS 26 H CYS 26 -9.784 3.585 -4.789 220 HA CYS 26 HA CYS 26 -9.084 6.289 -4.522 221 HB2 CYS 26 1HB CYS 26 -8.775 5.488 -2.047 222 HB3 CYS 26 2HB CYS 26 -10.381 5.715 -2.749 223 H VAL 27 H VAL 27 -7.324 3.334 -4.796 224 HA VAL 27 HA VAL 27 -4.900 4.613 -3.914 225 HB VAL 27 HB VAL 27 -5.244 2.003 -5.420 226 HG11 VAL 27 1HG1 VAL 27 -2.992 2.888 -5.679 227 HG12 VAL 27 2HG1 VAL 27 -2.848 3.085 -3.933 228 HG13 VAL 27 3HG1 VAL 27 -2.977 1.469 -4.634 229 HG21 VAL 27 3HG2 VAL 27 -6.361 1.973 -3.256 230 HG22 VAL 27 1HG2 VAL 27 -4.884 2.530 -2.469 231 HG23 VAL 27 2HG2 VAL 27 -4.933 0.940 -3.228 232 H LEU 28 H LEU 28 -6.023 3.489 -7.198 233 HA LEU 28 HA LEU 28 -4.003 5.280 -8.342 234 HG LEU 28 HG LEU 28 -4.639 4.534 -11.318 235 HB2 LEU 28 1HB LEU 28 -3.839 2.910 -8.906 236 HB3 LEU 28 2HB LEU 28 -5.452 2.958 -9.586 237 HD11 LEU 28 1HD1 LEU 28 -1.938 3.976 -10.104 238 HD12 LEU 28 2HD1 LEU 28 -2.788 5.523 -10.102 239 HD13 LEU 28 3HD1 LEU 28 -2.232 4.825 -11.624 240 HD21 LEU 28 3HD2 LEU 28 -3.403 2.881 -12.602 241 HD22 LEU 28 1HD2 LEU 28 -4.743 2.124 -11.740 242 HD23 LEU 28 2HD2 LEU 28 -3.086 1.955 -11.139 243 H GLY 29 H GLY 29 -7.409 4.548 -8.372 244 HA2 GLY 29 1HA GLY 29 -8.936 6.430 -8.776 245 HA3 GLY 29 2HA GLY 29 -7.883 6.914 -10.097 246 H LYS 30 H LYS 30 -9.052 3.628 -9.371 247 HA LYS 30 HA LYS 30 -10.215 3.624 -12.057 248 HB2 LYS 30 1HB LYS 30 -9.477 1.261 -10.354 249 HB3 LYS 30 2HB LYS 30 -10.094 1.197 -12.001 250 HG2 LYS 30 1HG LYS 30 -8.057 2.525 -12.697 251 HG3 LYS 30 2HG LYS 30 -7.458 2.299 -11.050 252 HD2 LYS 30 1HD LYS 30 -6.460 0.614 -12.471 253 HD3 LYS 30 2HD LYS 30 -7.615 -0.167 -11.390 254 HE2 LYS 30 1HE LYS 30 -9.285 -0.177 -13.221 255 HE3 LYS 30 2HE LYS 30 -8.097 0.581 -14.276 256 HZ1 LYS 30 3HZ LYS 30 -6.689 -1.387 -13.987 257 HZ2 LYS 30 1HZ LYS 30 -8.186 -1.763 -14.660 258 HZ3 LYS 30 2HZ LYS 30 -7.876 -2.121 -13.043 259 H GLY 31 H GLY 31 -11.167 1.815 -9.066 260 HA2 GLY 31 1HA GLY 31 -13.849 1.441 -10.058 261 HA3 GLY 31 2HA GLY 31 -13.227 0.880 -8.524 262 H LYS 32 H LYS 32 -14.288 1.723 -6.766 263 HA LYS 32 HA LYS 32 -14.854 4.517 -6.630 264 HB2 LYS 32 1HB LYS 32 -17.322 4.258 -6.272 265 HB3 LYS 32 2HB LYS 32 -16.755 4.048 -7.923 266 HG2 LYS 32 1HG LYS 32 -16.891 1.614 -7.653 267 HG3 LYS 32 2HG LYS 32 -17.486 1.841 -6.007 268 HD2 LYS 32 1HD LYS 32 -18.779 2.992 -8.426 269 HD3 LYS 32 2HD LYS 32 -19.251 1.416 -7.758 270 HE2 LYS 32 1HE LYS 32 -19.777 2.591 -5.620 271 HE3 LYS 32 2HE LYS 32 -19.396 4.119 -6.399 272 HZ1 LYS 32 3HZ LYS 32 -21.213 3.734 -7.954 273 HZ2 LYS 32 1HZ LYS 32 -21.765 3.704 -6.356 274 HZ3 LYS 32 2HZ LYS 32 -21.570 2.270 -7.211 275 H CYS 33 H CYS 33 -13.754 4.609 -4.796 276 HA CYS 33 HA CYS 33 -14.818 3.264 -2.378 277 HB2 CYS 33 1HB CYS 33 -12.407 5.107 -2.320 278 HB3 CYS 33 2HB CYS 33 -12.783 3.745 -1.258 279 H THR 34 H THR 34 -14.717 4.917 -0.340 280 HA THR 34 HA THR 34 -16.343 7.165 -1.014 281 HB THR 34 HB THR 34 -16.276 7.381 1.515 282 HG1 THR 34 1HG THR 34 -15.478 5.522 2.583 283 HG21 THR 34 3HG2 THR 34 -17.153 4.707 0.411 284 HG22 THR 34 1HG2 THR 34 -18.102 6.195 0.347 285 HG23 THR 34 2HG2 THR 34 -17.728 5.460 1.900 286 HA PRO 35 HA PRO 35 -13.146 10.317 -0.853 287 HB2 PRO 35 1HB PRO 35 -14.195 12.042 1.081 288 HB3 PRO 35 2HB PRO 35 -14.552 12.083 -0.647 289 HG2 PRO 35 1HG PRO 35 -16.116 10.872 1.581 290 HG3 PRO 35 2HG PRO 35 -16.696 11.708 0.131 291 HD2 PRO 35 1HD PRO 35 -16.806 9.045 0.346 292 HD3 PRO 35 2HD PRO 35 -16.430 9.821 -1.204 293 H GLU 36 H GLU 36 -14.316 9.244 2.339 294 HA GLU 36 HA GLU 36 -11.928 10.004 3.673 295 HB2 GLU 36 1HB GLU 36 -14.066 9.666 4.871 296 HB3 GLU 36 2HB GLU 36 -13.995 7.951 4.493 297 HG2 GLU 36 1HG GLU 36 -12.035 7.689 5.848 298 HG3 GLU 36 2HG GLU 36 -11.959 9.426 6.127 299 H GLY 37 H GLY 37 -13.072 7.072 2.114 300 HA2 GLY 37 1HA GLY 37 -10.927 5.378 2.790 301 HA3 GLY 37 2HA GLY 37 -11.953 5.212 1.368 302 H LYS 38 H LYS 38 -11.441 7.619 0.191 303 HA LYS 38 HA LYS 38 -9.148 7.364 -1.387 304 HB2 LYS 38 1HB LYS 38 -10.707 9.819 -0.593 305 HB3 LYS 38 2HB LYS 38 -9.347 9.907 -1.691 306 HG2 LYS 38 1HG LYS 38 -11.681 8.113 -2.242 307 HG3 LYS 38 2HG LYS 38 -11.724 9.823 -2.657 308 HD2 LYS 38 1HD LYS 38 -9.703 9.539 -4.019 309 HD3 LYS 38 2HD LYS 38 -9.666 7.830 -3.587 310 HE2 LYS 38 1HE LYS 38 -11.827 7.498 -4.686 311 HE3 LYS 38 2HE LYS 38 -11.909 9.219 -5.056 312 HZ1 LYS 38 3HZ LYS 38 -9.733 7.474 -6.077 313 HZ2 LYS 38 1HZ LYS 38 -10.141 9.002 -6.606 314 HZ3 LYS 38 2HZ LYS 38 -11.157 7.670 -6.908 315 H GLU 39 H GLU 39 -9.563 9.161 1.626 316 HA GLU 39 HA GLU 39 -7.004 10.458 1.525 317 HB2 GLU 39 1HB GLU 39 -9.034 11.353 2.675 318 HB3 GLU 39 2HB GLU 39 -8.914 10.028 3.820 319 HG2 GLU 39 1HG GLU 39 -8.003 11.895 4.896 320 HG3 GLU 39 2HG GLU 39 -6.645 10.887 4.399 321 H LEU 40 H LEU 40 -8.522 7.974 3.434 322 HA LEU 40 HA LEU 40 -6.601 7.121 5.164 323 HG LEU 40 HG LEU 40 -7.207 4.183 4.060 324 HB2 LEU 40 1HB LEU 40 -8.713 6.266 5.438 325 HB3 LEU 40 2HB LEU 40 -8.889 5.875 3.742 326 HD11 LEU 40 1HD1 LEU 40 -6.951 3.179 6.357 327 HD12 LEU 40 2HD1 LEU 40 -7.766 4.601 7.011 328 HD13 LEU 40 3HD1 LEU 40 -6.217 4.772 6.182 329 HD21 LEU 40 3HD2 LEU 40 -9.882 3.835 5.397 330 HD22 LEU 40 1HD2 LEU 40 -8.808 2.491 4.989 331 HD23 LEU 40 2HD2 LEU 40 -9.415 3.508 3.718 332 H LYS 41 H LYS 41 -7.236 5.724 1.937 333 HA LYS 41 HA LYS 41 -5.129 3.831 2.237 334 HB2 LYS 41 1HB LYS 41 -6.811 4.530 -0.136 335 HB3 LYS 41 2HB LYS 41 -5.823 3.077 0.046 336 HG2 LYS 41 1HG LYS 41 -7.132 2.220 1.714 337 HG3 LYS 41 2HG LYS 41 -7.926 3.735 2.084 338 HD2 LYS 41 1HD LYS 41 -8.763 3.552 -0.351 339 HD3 LYS 41 2HD LYS 41 -8.285 1.864 -0.191 340 HE2 LYS 41 1HE LYS 41 -9.758 1.650 1.760 341 HE3 LYS 41 2HE LYS 41 -10.221 3.339 1.581 342 HZ1 LYS 41 3HZ LYS 41 -10.935 1.081 -0.236 343 HZ2 LYS 41 1HZ LYS 41 -10.948 2.696 -0.742 344 HZ3 LYS 41 2HZ LYS 41 -11.914 2.240 0.526 345 H ASP 42 H ASP 42 -5.471 6.932 0.727 346 HA ASP 42 HA ASP 42 -3.222 6.873 -0.920 347 HB2 ASP 42 1HB ASP 42 -4.777 8.697 -1.071 348 HB3 ASP 42 2HB ASP 42 -4.509 9.149 0.606 349 H HIS 43 H HIS 43 -3.604 7.761 2.458 350 HA HIS 43 HA HIS 43 -0.775 8.268 2.784 351 HD1 HIS 43 1HD HIS 43 -1.116 11.087 5.506 352 HD2 HIS 43 2HD HIS 43 -3.830 10.081 2.535 353 HE1 HIS 43 1HE HIS 43 -1.981 13.259 4.612 354 HE2 HIS 43 2HE HIS 43 -3.962 12.487 3.204 355 HB2 HIS 43 1HB HIS 43 -2.979 8.214 4.853 356 HB3 HIS 43 2HB HIS 43 -1.306 8.611 5.205 357 H LEU 44 H LEU 44 -2.978 5.665 3.689 358 HA LEU 44 HA LEU 44 -1.094 4.319 5.322 359 HG LEU 44 HG LEU 44 -2.078 2.134 6.320 360 HB2 LEU 44 1HB LEU 44 -3.568 4.115 5.502 361 HB3 LEU 44 2HB LEU 44 -3.596 3.265 3.982 362 HD11 LEU 44 1HD1 LEU 44 -4.275 2.624 7.183 363 HD12 LEU 44 2HD1 LEU 44 -4.173 0.887 6.864 364 HD13 LEU 44 3HD1 LEU 44 -5.025 1.953 5.743 365 HD21 LEU 44 3HD2 LEU 44 -2.629 0.015 5.239 366 HD22 LEU 44 1HD2 LEU 44 -1.804 1.087 4.109 367 HD23 LEU 44 2HD2 LEU 44 -3.547 0.867 3.997 368 H GLN 45 H GLN 45 -2.188 3.669 1.968 369 HA GLN 45 HA GLN 45 -0.186 1.734 1.658 370 HB2 GLN 45 1HB GLN 45 -2.153 2.968 -0.202 371 HB3 GLN 45 2HB GLN 45 -0.715 2.271 -0.932 372 HG2 GLN 45 1HG GLN 45 -2.554 0.655 -0.937 373 HG3 GLN 45 2HG GLN 45 -1.233 0.094 0.065 374 HE21 GLN 45 1HE2 GLN 45 -2.623 -1.384 1.125 375 HE22 GLN 45 2HE2 GLN 45 -3.781 -0.913 2.288 376 H GLU 46 H GLU 46 -0.110 5.201 1.354 377 HA GLU 46 HA GLU 46 2.437 5.255 0.082 378 HB2 GLU 46 1HB GLU 46 1.033 7.273 0.183 379 HB3 GLU 46 2HB GLU 46 1.167 7.287 1.931 380 HG2 GLU 46 1HG GLU 46 2.628 8.953 0.992 381 HG3 GLU 46 2HG GLU 46 3.573 7.679 1.734 382 H ALA 47 H ALA 47 1.398 4.878 3.437 383 HA ALA 47 HA ALA 47 3.902 5.191 4.679 384 HB1 ALA 47 3HB ALA 47 1.783 5.064 5.944 385 HB2 ALA 47 1HB ALA 47 1.656 3.349 5.511 386 HB3 ALA 47 2HB ALA 47 2.980 3.902 6.538 387 H LEU 48 H LEU 48 2.456 2.561 3.007 388 HA LEU 48 HA LEU 48 4.378 0.534 3.374 389 HG LEU 48 HG LEU 48 4.340 0.152 -0.022 390 HB2 LEU 48 1HB LEU 48 2.425 -0.094 2.289 391 HB3 LEU 48 2HB LEU 48 2.474 1.264 1.194 392 HD11 LEU 48 1HD1 LEU 48 4.656 -2.267 0.328 393 HD12 LEU 48 2HD1 LEU 48 3.711 -2.118 1.825 394 HD13 LEU 48 3HD1 LEU 48 5.245 -1.258 1.649 395 HD21 LEU 48 3HD2 LEU 48 2.946 -1.461 -1.134 396 HD22 LEU 48 1HD2 LEU 48 2.047 0.011 -0.773 397 HD23 LEU 48 2HD2 LEU 48 1.810 -1.430 0.221 398 H GLU 49 H GLU 49 4.441 3.394 1.280 399 HA GLU 49 HA GLU 49 7.040 2.521 0.384 400 HB2 GLU 49 1HB GLU 49 5.691 2.763 -1.562 401 HB3 GLU 49 2HB GLU 49 5.050 4.301 -1.024 402 HG2 GLU 49 1HG GLU 49 6.634 4.485 -2.921 403 HG3 GLU 49 2HG GLU 49 7.123 5.410 -1.513 404 H THR 50 H THR 50 5.965 5.954 0.396 405 HA THR 50 HA THR 50 8.273 6.334 2.185 406 HB THR 50 HB THR 50 7.800 8.131 -0.233 407 HG1 THR 50 1HG THR 50 8.639 5.620 -0.266 408 HG21 THR 50 3HG2 THR 50 9.169 9.057 1.608 409 HG22 THR 50 1HG2 THR 50 10.138 8.771 0.161 410 HG23 THR 50 2HG2 THR 50 10.228 7.649 1.516 411 H GLY 51 H GLY 51 5.420 6.378 2.617 412 HA2 GLY 51 1HA GLY 51 4.793 9.146 3.191 413 HA3 GLY 51 2HA GLY 51 3.802 7.742 3.595 414 H CYS 52 H CYS 52 3.598 7.370 5.566 415 HA CYS 52 HA CYS 52 5.872 7.697 7.269 416 HB2 CYS 52 1HB CYS 52 4.827 9.883 7.369 417 HB3 CYS 52 2HB CYS 52 3.290 9.152 7.809 418 H GLU 53 H GLU 53 5.962 5.653 7.878 419 HA GLU 53 HA GLU 53 3.769 4.006 8.577 420 HB2 GLU 53 1HB GLU 53 5.927 3.064 7.922 421 HB3 GLU 53 2HB GLU 53 6.702 3.827 9.302 422 HG2 GLU 53 1HG GLU 53 5.241 2.461 10.787 423 HG3 GLU 53 2HG GLU 53 4.670 1.613 9.354 424 H LYS 54 H LYS 54 6.294 5.483 10.511 425 HA LYS 54 HA LYS 54 5.248 4.778 13.039 426 HB2 LYS 54 1HB LYS 54 7.106 6.313 13.880 427 HB3 LYS 54 2HB LYS 54 7.558 4.902 12.944 428 HG2 LYS 54 1HG LYS 54 8.932 6.730 12.244 429 HG3 LYS 54 2HG LYS 54 7.812 6.378 10.939 430 HD2 LYS 54 1HD LYS 54 7.901 8.747 11.098 431 HD3 LYS 54 2HD LYS 54 6.388 8.280 11.862 432 HE2 LYS 54 1HE LYS 54 7.540 9.997 13.164 433 HE3 LYS 54 2HE LYS 54 7.430 8.488 14.068 434 HZ1 LYS 54 3HZ LYS 54 9.624 9.558 14.207 435 HZ2 LYS 54 1HZ LYS 54 9.840 9.378 12.558 436 HZ3 LYS 54 2HZ LYS 54 9.721 8.022 13.559 437 H CYS 55 H CYS 55 3.601 6.603 11.398 438 HA CYS 55 HA CYS 55 3.423 9.005 12.943 439 HB2 CYS 55 1HB CYS 55 2.245 7.944 10.530 440 HB3 CYS 55 2HB CYS 55 1.194 9.030 11.397 441 H THR 56 H THR 56 0.478 7.377 12.048 442 HA THR 56 HA THR 56 -0.402 7.589 14.816 443 HB THR 56 HB THR 56 -2.022 6.922 12.335 444 HG1 THR 56 1HG THR 56 -1.187 9.425 13.369 445 HG21 THR 56 3HG2 THR 56 -2.791 8.258 14.943 446 HG22 THR 56 1HG2 THR 56 -3.115 6.577 14.524 447 HG23 THR 56 2HG2 THR 56 -3.885 7.879 13.615 448 H GLU 57 H GLU 57 -1.373 5.562 15.733 449 HA GLU 57 HA GLU 57 0.069 3.297 14.973 450 HB2 GLU 57 1HB GLU 57 -1.391 2.016 16.528 451 HB3 GLU 57 2HB GLU 57 -0.695 3.458 17.243 452 HG2 GLU 57 1HG GLU 57 -2.818 4.619 16.966 453 HG3 GLU 57 2HG GLU 57 -3.501 3.169 16.224 454 H ALA 58 H ALA 58 -3.117 4.380 13.996 455 HA ALA 58 HA ALA 58 -3.903 2.106 12.554 456 HB1 ALA 58 3HB ALA 58 -4.448 5.008 11.926 457 HB2 ALA 58 1HB ALA 58 -5.296 3.638 11.213 458 HB3 ALA 58 2HB ALA 58 -5.443 3.964 12.938 459 H GLN 59 H GLN 59 -1.670 4.690 11.769 460 HA GLN 59 HA GLN 59 -1.415 3.882 9.015 461 HB2 GLN 59 1HB GLN 59 0.281 5.807 10.621 462 HB3 GLN 59 2HB GLN 59 0.467 5.498 8.903 463 HG2 GLN 59 1HG GLN 59 -1.828 6.336 8.550 464 HG3 GLN 59 2HG GLN 59 -1.916 6.737 10.261 465 HE21 GLN 59 1HE2 GLN 59 0.984 7.132 8.255 466 HE22 GLN 59 2HE2 GLN 59 0.968 8.841 8.297 467 H GLU 60 H GLU 60 0.608 3.765 11.916 468 HA GLU 60 HA GLU 60 2.720 2.303 10.947 469 HB2 GLU 60 1HB GLU 60 1.462 1.803 13.652 470 HB3 GLU 60 2HB GLU 60 3.097 1.367 13.179 471 HG2 GLU 60 1HG GLU 60 3.302 3.811 12.617 472 HG3 GLU 60 2HG GLU 60 1.922 4.043 13.664 473 H LYS 61 H LYS 61 -0.095 0.974 12.457 474 HA LYS 61 HA LYS 61 0.486 -1.746 11.824 475 HB2 LYS 61 1HB LYS 61 -2.198 -0.558 12.551 476 HB3 LYS 61 2HB LYS 61 -1.852 -2.277 12.484 477 HG2 LYS 61 1HG LYS 61 -0.608 -0.275 14.378 478 HG3 LYS 61 2HG LYS 61 -1.831 -1.474 14.784 479 HD2 LYS 61 1HD LYS 61 0.969 -2.102 13.806 480 HD3 LYS 61 2HD LYS 61 0.455 -2.131 15.485 481 HE2 LYS 61 1HE LYS 61 -1.149 -3.910 14.976 482 HE3 LYS 61 2HE LYS 61 -0.674 -3.860 13.282 483 HZ1 LYS 61 3HZ LYS 61 0.359 -5.642 14.628 484 HZ2 LYS 61 1HZ LYS 61 1.210 -4.478 15.482 485 HZ3 LYS 61 2HZ LYS 61 1.483 -4.679 13.817 486 H GLY 62 H GLY 62 -1.363 0.710 10.173 487 HA2 GLY 62 1HA GLY 62 -2.495 -0.947 8.195 488 HA3 GLY 62 2HA GLY 62 -2.212 0.812 8.082 489 H ALA 63 H ALA 63 0.523 0.835 8.391 490 HA ALA 63 HA ALA 63 1.454 0.379 5.820 491 HB1 ALA 63 3HB ALA 63 2.470 1.978 7.384 492 HB2 ALA 63 1HB ALA 63 3.066 0.627 8.348 493 HB3 ALA 63 2HB ALA 63 3.662 0.865 6.705 494 H GLU 64 H GLU 64 2.040 -1.455 8.800 495 HA GLU 64 HA GLU 64 3.678 -3.337 7.490 496 HB2 GLU 64 1HB GLU 64 3.554 -4.702 9.520 497 HB3 GLU 64 2HB GLU 64 3.910 -3.021 9.859 498 HG2 GLU 64 1HG GLU 64 1.526 -2.693 10.405 499 HG3 GLU 64 2HG GLU 64 1.290 -4.429 10.220 500 H THR 65 H THR 65 0.200 -3.343 7.968 501 HA THR 65 HA THR 65 -0.072 -6.070 7.055 502 HB THR 65 HB THR 65 -1.778 -4.915 8.529 503 HG1 THR 65 1HG THR 65 -2.295 -6.778 7.147 504 HG21 THR 65 3HG2 THR 65 -2.587 -3.505 5.990 505 HG22 THR 65 1HG2 THR 65 -1.890 -2.756 7.424 506 HG23 THR 65 2HG2 THR 65 -3.494 -3.486 7.504 507 H SER 66 H SER 66 -0.312 -2.916 5.488 508 HA SER 66 HA SER 66 -0.851 -3.891 2.947 509 HG SER 66 HG SER 66 0.573 -0.938 1.650 510 HB2 SER 66 1HB SER 66 -0.987 -1.483 3.666 511 HB3 SER 66 2HB SER 66 0.773 -1.426 3.667 512 H ILE 67 H ILE 67 2.200 -3.292 4.620 513 HA ILE 67 HA ILE 67 3.960 -3.930 2.510 514 HB ILE 67 HB ILE 67 4.414 -4.084 5.512 515 HG12 ILE 67 1HG1 ILE 67 5.328 -2.017 3.502 516 HG13 ILE 67 2HG1 ILE 67 3.940 -1.819 4.565 517 HG21 ILE 67 1HG2 ILE 67 5.995 -5.557 4.387 518 HG22 ILE 67 2HG2 ILE 67 6.828 -4.129 5.006 519 HG23 ILE 67 3HG2 ILE 67 6.446 -4.253 3.290 520 HD11 ILE 67 3HD1 ILE 67 5.866 -0.607 5.369 521 HD12 ILE 67 1HD1 ILE 67 6.820 -2.099 5.407 522 HD13 ILE 67 2HD1 ILE 67 5.430 -1.896 6.494 523 H ASP 68 H ASP 68 2.583 -5.943 5.041 524 HA ASP 68 HA ASP 68 4.082 -8.245 4.591 525 HB2 ASP 68 1HB ASP 68 2.724 -8.012 6.550 526 HB3 ASP 68 2HB ASP 68 1.258 -7.899 5.590 527 H TYR 69 H TYR 69 0.791 -7.544 3.363 528 HA TYR 69 HA TYR 69 1.117 -9.916 1.803 529 HD1 TYR 69 1HD TYR 69 -0.975 -11.735 2.224 530 HD2 TYR 69 2HD TYR 69 -1.842 -8.716 -0.622 531 HE1 TYR 69 1HE TYR 69 -1.773 -13.449 0.656 532 HE2 TYR 69 2HE TYR 69 -2.644 -10.413 -2.180 533 HH TYR 69 HH TYR 69 -3.284 -13.561 -1.281 534 HB2 TYR 69 1HB TYR 69 -1.105 -9.349 2.863 535 HB3 TYR 69 2HB TYR 69 -1.291 -8.120 1.614 536 H LEU 70 H LEU 70 1.009 -6.459 1.046 537 HA LEU 70 HA LEU 70 0.860 -6.901 -1.701 538 HG LEU 70 HG LEU 70 0.734 -4.883 -3.006 539 HB2 LEU 70 1HB LEU 70 0.328 -4.740 -0.442 540 HB3 LEU 70 2HB LEU 70 2.046 -4.470 -0.374 541 HD11 LEU 70 1HD1 LEU 70 0.860 -2.269 -1.483 542 HD12 LEU 70 2HD1 LEU 70 -0.605 -3.154 -1.900 543 HD13 LEU 70 3HD1 LEU 70 0.384 -2.441 -3.171 544 HD21 LEU 70 3HD2 LEU 70 2.530 -3.371 -3.747 545 HD22 LEU 70 1HD2 LEU 70 3.144 -4.813 -2.940 546 HD23 LEU 70 2HD2 LEU 70 3.100 -3.279 -2.079 547 H ILE 71 H ILE 71 3.695 -6.519 0.441 548 HA ILE 71 HA ILE 71 5.525 -6.578 -1.713 549 HB ILE 71 HB ILE 71 5.915 -7.194 1.228 550 HG12 ILE 71 1HG1 ILE 71 5.542 -4.819 0.614 551 HG13 ILE 71 2HG1 ILE 71 7.126 -5.091 1.319 552 HG21 ILE 71 1HG2 ILE 71 8.325 -7.249 0.890 553 HG22 ILE 71 2HG2 ILE 71 8.094 -7.130 -0.854 554 HG23 ILE 71 3HG2 ILE 71 7.527 -8.557 0.012 555 HD11 ILE 71 3HD1 ILE 71 7.257 -3.537 -0.534 556 HD12 ILE 71 1HD1 ILE 71 6.537 -4.727 -1.621 557 HD13 ILE 71 2HD1 ILE 71 8.134 -5.016 -0.919 558 H LYS 72 H LYS 72 4.065 -9.228 0.210 559 HA LYS 72 HA LYS 72 5.721 -11.014 -1.364 560 HB2 LYS 72 1HB LYS 72 4.959 -12.857 0.010 561 HB3 LYS 72 2HB LYS 72 5.554 -11.536 0.992 562 HG2 LYS 72 1HG LYS 72 3.151 -10.887 1.349 563 HG3 LYS 72 2HG LYS 72 2.712 -12.422 0.590 564 HD2 LYS 72 1HD LYS 72 4.074 -13.615 2.255 565 HD3 LYS 72 2HD LYS 72 4.493 -12.085 3.007 566 HE2 LYS 72 1HE LYS 72 2.777 -13.022 4.328 567 HE3 LYS 72 2HE LYS 72 2.028 -11.727 3.401 568 HZ1 LYS 72 3HZ LYS 72 0.640 -13.679 3.430 569 HZ2 LYS 72 1HZ LYS 72 1.877 -14.631 2.817 570 HZ3 LYS 72 2HZ LYS 72 1.188 -13.445 1.846 571 H ASN 73 H ASN 73 3.018 -9.538 -2.214 572 HA ASN 73 HA ASN 73 2.320 -11.835 -3.970 573 HB2 ASN 73 1HB ASN 73 0.545 -11.654 -2.319 574 HB3 ASN 73 2HB ASN 73 0.334 -9.948 -2.708 575 HD21 ASN 73 1HD2 ASN 73 -1.680 -9.944 -3.522 576 HD22 ASN 73 2HD2 ASN 73 -2.194 -10.798 -4.909 577 H GLU 74 H GLU 74 1.748 -8.346 -3.576 578 HA GLU 74 HA GLU 74 1.515 -8.102 -6.501 579 HB2 GLU 74 1HB GLU 74 0.354 -6.449 -4.260 580 HB3 GLU 74 2HB GLU 74 0.256 -5.997 -5.953 581 HG2 GLU 74 1HG GLU 74 -0.932 -8.470 -4.709 582 HG3 GLU 74 2HG GLU 74 -1.815 -7.004 -5.131 583 H LEU 75 H LEU 75 4.039 -8.182 -5.728 584 HA LEU 75 HA LEU 75 5.252 -5.916 -4.654 585 HG LEU 75 HG LEU 75 7.876 -5.901 -6.323 586 HB2 LEU 75 1HB LEU 75 6.361 -8.099 -4.922 587 HB3 LEU 75 2HB LEU 75 6.392 -7.865 -6.657 588 HD11 LEU 75 1HD1 LEU 75 7.264 -5.303 -4.061 589 HD12 LEU 75 2HD1 LEU 75 8.992 -5.622 -4.159 590 HD13 LEU 75 3HD1 LEU 75 7.911 -6.827 -3.459 591 HD21 LEU 75 3HD2 LEU 75 8.797 -8.081 -6.891 592 HD22 LEU 75 1HD2 LEU 75 8.861 -8.517 -5.185 593 HD23 LEU 75 2HD2 LEU 75 9.880 -7.216 -5.802 594 H GLU 76 H GLU 76 4.160 -6.556 -7.894 595 HA GLU 76 HA GLU 76 5.551 -4.498 -9.217 596 HB2 GLU 76 1HB GLU 76 2.898 -5.743 -9.905 597 HB3 GLU 76 2HB GLU 76 3.837 -4.708 -10.973 598 HG2 GLU 76 1HG GLU 76 4.597 -7.421 -9.943 599 HG3 GLU 76 2HG GLU 76 4.184 -6.984 -11.603 600 H ILE 77 H ILE 77 2.588 -4.514 -7.369 601 HA ILE 77 HA ILE 77 1.704 -1.939 -8.209 602 HB ILE 77 HB ILE 77 0.986 -3.523 -5.712 603 HG12 ILE 77 1HG1 ILE 77 0.402 -4.736 -7.753 604 HG13 ILE 77 2HG1 ILE 77 -1.058 -4.172 -6.930 605 HG21 ILE 77 1HG2 ILE 77 0.460 -1.169 -5.406 606 HG22 ILE 77 2HG2 ILE 77 -1.019 -2.115 -5.568 607 HG23 ILE 77 3HG2 ILE 77 -0.436 -1.152 -6.926 608 HD11 ILE 77 3HD1 ILE 77 -1.259 -3.922 -9.333 609 HD12 ILE 77 1HD1 ILE 77 0.213 -2.952 -9.379 610 HD13 ILE 77 2HD1 ILE 77 -1.222 -2.338 -8.559 611 H TRP 78 H TRP 78 3.733 -3.213 -5.695 612 HA TRP 78 HA TRP 78 4.108 -0.863 -4.174 613 HD1 TRP 78 HD TRP 78 5.400 -0.962 -1.551 614 HE1 TRP 78 1HE TRP 78 7.685 -0.145 -0.741 615 HE3 TRP 78 3HE TRP 78 8.314 -2.960 -5.241 616 HZ2 TRP 78 2HZ TRP 78 10.381 -0.334 -1.555 617 HZ3 TRP 78 3HZ TRP 78 10.744 -2.592 -5.154 618 HH2 TRP 78 HH TRP 78 11.757 -1.310 -3.349 619 HB2 TRP 78 1HB TRP 78 4.827 -3.035 -3.309 620 HB3 TRP 78 2HB TRP 78 5.963 -3.211 -4.638 621 H LYS 79 H LYS 79 5.848 -2.272 -6.866 622 HA LYS 79 HA LYS 79 7.890 -0.399 -7.184 623 HB2 LYS 79 1HB LYS 79 6.474 -2.004 -9.304 624 HB3 LYS 79 2HB LYS 79 7.994 -1.160 -9.530 625 HG2 LYS 79 1HG LYS 79 9.044 -2.587 -7.871 626 HG3 LYS 79 2HG LYS 79 7.507 -3.421 -7.614 627 HD2 LYS 79 1HD LYS 79 7.481 -4.127 -9.948 628 HD3 LYS 79 2HD LYS 79 8.990 -3.273 -10.229 629 HE2 LYS 79 1HE LYS 79 10.138 -4.768 -8.660 630 HE3 LYS 79 2HE LYS 79 8.610 -5.580 -8.331 631 HZ1 LYS 79 3HZ LYS 79 10.023 -6.734 -9.948 632 HZ2 LYS 79 1HZ LYS 79 9.867 -5.427 -10.996 633 HZ3 LYS 79 2HZ LYS 79 8.492 -6.324 -10.546 634 H GLU 80 H GLU 80 4.570 -0.309 -8.215 635 HA GLU 80 HA GLU 80 4.959 2.005 -9.813 636 HB2 GLU 80 1HB GLU 80 2.434 0.668 -8.882 637 HB3 GLU 80 2HB GLU 80 2.483 2.063 -9.957 638 HG2 GLU 80 1HG GLU 80 3.902 0.727 -11.516 639 HG3 GLU 80 2HG GLU 80 3.639 -0.665 -10.475 640 H LEU 81 H LEU 81 4.059 1.458 -6.474 641 HA LEU 81 HA LEU 81 3.385 4.216 -6.025 642 HG LEU 81 HG LEU 81 2.260 1.343 -5.010 643 HB2 LEU 81 1HB LEU 81 4.340 2.232 -3.918 644 HB3 LEU 81 2HB LEU 81 3.510 3.731 -3.666 645 HD11 LEU 81 1HD1 LEU 81 2.644 0.949 -2.656 646 HD12 LEU 81 2HD1 LEU 81 0.921 1.174 -2.982 647 HD13 LEU 81 3HD1 LEU 81 1.861 2.482 -2.255 648 HD21 LEU 81 3HD2 LEU 81 1.333 3.446 -5.832 649 HD22 LEU 81 1HD2 LEU 81 1.081 3.998 -4.176 650 HD23 LEU 81 2HD2 LEU 81 0.169 2.624 -4.799 651 H THR 82 H THR 82 6.240 2.215 -5.854 652 HA THR 82 HA THR 82 8.070 4.070 -4.935 653 HB THR 82 HB THR 82 8.439 1.848 -6.979 654 HG1 THR 82 1HG THR 82 8.500 1.996 -4.161 655 HG21 THR 82 3HG2 THR 82 10.795 1.855 -6.317 656 HG22 THR 82 1HG2 THR 82 10.487 3.196 -5.203 657 HG23 THR 82 2HG2 THR 82 10.331 3.445 -6.945 658 H ALA 83 H ALA 83 6.999 3.352 -8.249 659 HA ALA 83 HA ALA 83 8.510 5.355 -9.528 660 HB1 ALA 83 3HB ALA 83 7.093 4.968 -11.463 661 HB2 ALA 83 1HB ALA 83 7.515 3.432 -10.705 662 HB3 ALA 83 2HB ALA 83 5.915 4.131 -10.454 663 H HIS 84 H HIS 84 5.441 5.462 -7.940 664 HA HIS 84 HA HIS 84 4.495 7.929 -8.909 665 HD1 HIS 84 1HD HIS 84 1.066 7.926 -8.026 666 HD2 HIS 84 2HD HIS 84 3.608 9.161 -4.974 667 HE1 HIS 84 1HE HIS 84 -0.137 9.758 -6.848 668 HE2 HIS 84 2HE HIS 84 1.341 10.393 -4.924 669 HB2 HIS 84 1HB HIS 84 3.037 6.354 -7.710 670 HB3 HIS 84 2HB HIS 84 3.989 6.550 -6.250 671 H PHE 85 H PHE 85 6.526 7.143 -6.098 672 HA PHE 85 HA PHE 85 6.786 10.026 -5.687 673 HD1 PHE 85 2HD PHE 85 6.129 11.222 -3.332 674 HD2 PHE 85 1HD PHE 85 9.488 8.687 -2.726 675 HE1 PHE 85 2HE PHE 85 7.185 12.958 -1.951 676 HE2 PHE 85 1HE PHE 85 10.549 10.422 -1.350 677 HZ PHE 85 HZ PHE 85 9.400 12.563 -0.963 678 HB2 PHE 85 1HB PHE 85 6.036 8.740 -3.727 679 HB3 PHE 85 2HB PHE 85 7.543 7.830 -3.758 680 H ASP 86 H ASP 86 8.954 7.165 -5.778 681 HA ASP 86 HA ASP 86 11.054 8.856 -6.816 682 HB2 ASP 86 1HB ASP 86 11.259 9.255 -4.401 683 HB3 ASP 86 2HB ASP 86 11.383 7.527 -4.117 684 HA PRO 87 HA PRO 87 11.356 4.544 -8.377 685 HB2 PRO 87 1HB PRO 87 11.832 5.273 -10.952 686 HB3 PRO 87 2HB PRO 87 10.222 4.997 -10.309 687 HG2 PRO 87 1HG PRO 87 11.613 7.536 -10.937 688 HG3 PRO 87 2HG PRO 87 9.881 7.187 -10.915 689 HD2 PRO 87 1HD PRO 87 11.297 8.577 -8.958 690 HD3 PRO 87 2HD PRO 87 9.682 7.880 -8.762 691 H ASP 88 H ASP 88 13.465 7.309 -8.670 692 HA ASP 88 HA ASP 88 15.587 5.644 -9.812 693 HB2 ASP 88 1HB ASP 88 14.898 7.850 -10.844 694 HB3 ASP 88 2HB ASP 88 15.569 8.645 -9.428 695 H GLY 89 H GLY 89 14.704 5.651 -6.955 696 HA2 GLY 89 1HA GLY 89 16.985 6.713 -5.518 697 HA3 GLY 89 2HA GLY 89 15.641 5.815 -4.821 698 H LYS 90 H LYS 90 17.293 4.690 -3.611 699 HA LYS 90 HA LYS 90 19.226 3.055 -4.893 700 HB2 LYS 90 1HB LYS 90 19.308 3.816 -2.486 701 HB3 LYS 90 2HB LYS 90 18.024 2.674 -2.145 702 HG2 LYS 90 1HG LYS 90 20.136 1.747 -1.470 703 HG3 LYS 90 2HG LYS 90 19.518 0.824 -2.845 704 HD2 LYS 90 1HD LYS 90 21.033 2.039 -4.324 705 HD3 LYS 90 2HD LYS 90 21.589 3.014 -2.962 706 HE2 LYS 90 1HE LYS 90 22.390 0.933 -1.867 707 HE3 LYS 90 2HE LYS 90 21.916 0.026 -3.301 708 HZ1 LYS 90 3HZ LYS 90 23.927 2.191 -3.187 709 HZ2 LYS 90 1HZ LYS 90 23.487 1.365 -4.579 710 HZ3 LYS 90 2HZ LYS 90 24.272 0.552 -3.325 711 H TRP 91 H TRP 91 15.933 2.659 -3.920 712 HA TRP 91 HA TRP 91 14.245 1.249 -4.552 713 HD1 TRP 91 HD TRP 91 13.169 1.365 -7.975 714 HE1 TRP 91 1HE TRP 91 11.456 -0.446 -8.604 715 HE3 TRP 91 3HE TRP 91 15.098 -2.619 -5.382 716 HZ2 TRP 91 2HZ TRP 91 10.971 -3.115 -8.097 717 HZ3 TRP 91 3HZ TRP 91 13.929 -4.775 -5.520 718 HH2 TRP 91 HH TRP 91 11.902 -5.023 -6.849 719 HB2 TRP 91 1HB TRP 91 15.432 1.399 -6.826 720 HB3 TRP 91 2HB TRP 91 16.166 -0.143 -6.430 721 H ARG 92 H ARG 92 17.116 -0.744 -4.748 722 HA ARG 92 HA ARG 92 16.105 -3.120 -3.654 723 HE ARG 92 HE ARG 92 19.175 -1.350 -6.018 724 HB2 ARG 92 1HB ARG 92 18.880 -1.989 -3.909 725 HB3 ARG 92 2HB ARG 92 18.628 -3.476 -3.020 726 HG2 ARG 92 1HG ARG 92 19.369 -3.895 -5.315 727 HG3 ARG 92 2HG ARG 92 17.779 -4.572 -5.017 728 HD2 ARG 92 1HD ARG 92 17.918 -3.565 -7.241 729 HD3 ARG 92 2HD ARG 92 16.763 -2.694 -6.255 730 HH11 ARG 92 1HH1 ARG 92 16.942 -2.136 -8.672 731 HH12 ARG 92 2HH1 ARG 92 17.333 -0.752 -9.567 732 HH21 ARG 92 1HH2 ARG 92 19.689 0.517 -7.268 733 HH22 ARG 92 2HH2 ARG 92 18.898 0.816 -8.752 734 H LYS 93 H LYS 93 17.484 -0.326 -2.128 735 HA LYS 93 HA LYS 93 17.753 -1.366 0.481 736 HB2 LYS 93 1HB LYS 93 18.836 0.680 -0.436 737 HB3 LYS 93 2HB LYS 93 17.289 1.500 -0.311 738 HG2 LYS 93 1HG LYS 93 17.334 1.249 2.102 739 HG3 LYS 93 2HG LYS 93 18.844 0.334 1.997 740 HD2 LYS 93 1HD LYS 93 19.853 2.317 0.848 741 HD3 LYS 93 2HD LYS 93 18.389 3.211 1.228 742 HE2 LYS 93 1HE LYS 93 18.776 2.885 3.608 743 HE3 LYS 93 2HE LYS 93 20.200 1.909 3.252 744 HZ1 LYS 93 3HZ LYS 93 21.223 3.849 2.220 745 HZ2 LYS 93 1HZ LYS 93 20.826 4.163 3.829 746 HZ3 LYS 93 2HZ LYS 93 19.880 4.790 2.588 747 H LYS 94 H LYS 94 15.101 0.267 -1.185 748 HA LYS 94 HA LYS 94 13.407 0.561 1.089 749 HB2 LYS 94 1HB LYS 94 12.636 0.257 -1.821 750 HB3 LYS 94 2HB LYS 94 11.588 0.763 -0.509 751 HG2 LYS 94 1HG LYS 94 12.852 2.803 -0.249 752 HG3 LYS 94 2HG LYS 94 13.952 2.279 -1.540 753 HD2 LYS 94 1HD LYS 94 12.195 2.279 -3.150 754 HD3 LYS 94 2HD LYS 94 10.974 2.522 -1.907 755 HE2 LYS 94 1HE LYS 94 11.961 4.750 -1.448 756 HE3 LYS 94 2HE LYS 94 13.083 4.463 -2.783 757 HZ1 LYS 94 3HZ LYS 94 11.399 4.545 -4.335 758 HZ2 LYS 94 1HZ LYS 94 10.998 5.780 -3.268 759 HZ3 LYS 94 2HZ LYS 94 10.179 4.278 -3.194 760 H TYR 95 H TYR 95 13.752 -1.785 -1.454 761 HA TYR 95 HA TYR 95 11.671 -3.513 -0.873 762 HD1 TYR 95 1HD TYR 95 10.851 -5.291 -2.191 763 HD2 TYR 95 2HD TYR 95 14.963 -5.996 -3.018 764 HE1 TYR 95 1HE TYR 95 10.307 -7.562 -2.981 765 HE2 TYR 95 2HE TYR 95 14.433 -8.258 -3.787 766 HH TYR 95 HH TYR 95 12.811 -9.868 -3.674 767 HB2 TYR 95 1HB TYR 95 12.880 -3.453 -2.934 768 HB3 TYR 95 2HB TYR 95 14.374 -3.965 -2.155 769 H GLU 96 H GLU 96 15.049 -3.574 0.281 770 HA GLU 96 HA GLU 96 14.668 -5.815 1.992 771 HB2 GLU 96 1HB GLU 96 16.752 -3.639 2.122 772 HB3 GLU 96 2HB GLU 96 16.774 -5.118 3.063 773 HG2 GLU 96 1HG GLU 96 16.903 -6.399 0.961 774 HG3 GLU 96 2HG GLU 96 17.009 -4.870 0.083 775 H ASP 97 H ASP 97 14.568 -2.332 2.480 776 HA ASP 97 HA ASP 97 14.393 -2.180 5.257 777 HB2 ASP 97 1HB ASP 97 14.775 -0.241 3.867 778 HB3 ASP 97 2HB ASP 97 13.213 -0.439 3.097 779 H ARG 98 H ARG 98 11.752 -2.182 2.907 780 HA ARG 98 HA ARG 98 9.708 -2.152 4.883 781 HE ARG 98 HE ARG 98 9.051 1.428 1.278 782 HB2 ARG 98 1HB ARG 98 9.615 -2.713 1.913 783 HB3 ARG 98 2HB ARG 98 8.193 -2.867 2.914 784 HG2 ARG 98 1HG ARG 98 8.237 -0.734 1.688 785 HG3 ARG 98 2HG ARG 98 8.260 -0.474 3.427 786 HD2 ARG 98 1HD ARG 98 10.546 0.122 3.394 787 HD3 ARG 98 2HD ARG 98 10.762 -0.514 1.770 788 HH11 ARG 98 1HH1 ARG 98 11.648 1.605 3.648 789 HH12 ARG 98 2HH1 ARG 98 12.216 3.129 3.177 790 HH21 ARG 98 1HH2 ARG 98 9.864 3.514 0.516 791 HH22 ARG 98 2HH2 ARG 98 11.139 4.276 1.346 792 H ALA 99 H ALA 99 10.969 -4.757 2.823 793 HA ALA 99 HA ALA 99 9.111 -6.661 3.789 794 HB1 ALA 99 3HB ALA 99 10.182 -6.771 1.567 795 HB2 ALA 99 1HB ALA 99 11.700 -7.162 2.366 796 HB3 ALA 99 2HB ALA 99 10.339 -8.272 2.488 797 H LYS 100 H LYS 100 12.605 -6.239 4.420 798 HA LYS 100 HA LYS 100 12.641 -8.558 6.055 799 HB2 LYS 100 1HB LYS 100 14.770 -6.426 5.866 800 HB3 LYS 100 2HB LYS 100 14.967 -8.038 6.533 801 HG2 LYS 100 1HG LYS 100 14.413 -7.343 3.644 802 HG3 LYS 100 2HG LYS 100 15.943 -7.899 4.309 803 HD2 LYS 100 1HD LYS 100 13.378 -9.509 4.289 804 HD3 LYS 100 2HD LYS 100 14.660 -9.663 3.097 805 HE2 LYS 100 1HE LYS 100 14.990 -10.139 6.058 806 HE3 LYS 100 2HE LYS 100 14.716 -11.397 4.861 807 HZ1 LYS 100 3HZ LYS 100 16.800 -10.810 3.797 808 HZ2 LYS 100 1HZ LYS 100 17.020 -11.182 5.426 809 HZ3 LYS 100 2HZ LYS 100 17.073 -9.574 4.942 810 H ALA 101 H ALA 101 12.120 -5.137 6.764 811 HA ALA 101 HA ALA 101 12.659 -5.350 9.525 812 HB1 ALA 101 3HB ALA 101 11.413 -3.291 9.791 813 HB2 ALA 101 1HB ALA 101 12.439 -3.191 8.356 814 HB3 ALA 101 2HB ALA 101 10.712 -3.480 8.184 815 H LYS 102 H LYS 102 9.858 -6.196 7.622 816 HA LYS 102 HA LYS 102 8.253 -6.549 10.025 817 HB2 LYS 102 1HB LYS 102 7.498 -7.082 7.152 818 HB3 LYS 102 2HB LYS 102 6.401 -7.047 8.524 819 HG2 LYS 102 1HG LYS 102 7.951 -4.733 7.385 820 HG3 LYS 102 2HG LYS 102 6.213 -5.001 7.276 821 HD2 LYS 102 1HD LYS 102 6.010 -4.731 9.700 822 HD3 LYS 102 2HD LYS 102 7.762 -4.547 9.836 823 HE2 LYS 102 1HE LYS 102 7.635 -2.563 8.386 824 HE3 LYS 102 2HE LYS 102 5.883 -2.737 8.353 825 HZ1 LYS 102 3HZ LYS 102 7.520 -2.206 10.780 826 HZ2 LYS 102 1HZ LYS 102 5.840 -2.353 10.751 827 HZ3 LYS 102 2HZ LYS 102 6.601 -1.098 9.923 828 H GLY 103 H GLY 103 10.004 -8.429 7.724 829 HA2 GLY 103 1HA GLY 103 10.815 -10.605 8.504 830 HA3 GLY 103 2HA GLY 103 9.234 -10.848 9.243 831 H ILE 104 H ILE 104 9.570 -9.408 6.118 832 HA ILE 104 HA ILE 104 8.200 -11.682 4.953 833 HB ILE 104 HB ILE 104 8.832 -8.964 3.752 834 HG12 ILE 104 1HG1 ILE 104 7.311 -8.703 5.656 835 HG13 ILE 104 2HG1 ILE 104 6.468 -8.391 4.142 836 HG21 ILE 104 1HG2 ILE 104 7.140 -9.545 2.063 837 HG22 ILE 104 2HG2 ILE 104 6.948 -11.129 2.817 838 HG23 ILE 104 3HG2 ILE 104 8.484 -10.693 2.068 839 HD11 ILE 104 3HD1 ILE 104 5.097 -9.661 5.696 840 HD12 ILE 104 1HD1 ILE 104 6.330 -10.917 5.765 841 HD13 ILE 104 2HD1 ILE 104 5.466 -10.613 4.257 842 H VAL 105 H VAL 105 9.487 -13.161 4.106 843 HA VAL 105 HA VAL 105 12.170 -12.429 3.343 844 HB VAL 105 HB VAL 105 12.504 -14.881 2.892 845 HG11 VAL 105 1HG1 VAL 105 11.406 -14.197 5.616 846 HG12 VAL 105 2HG1 VAL 105 12.431 -15.582 5.244 847 HG13 VAL 105 3HG1 VAL 105 13.062 -13.943 5.070 848 HG21 VAL 105 3HG2 VAL 105 10.194 -15.475 2.327 849 HG22 VAL 105 1HG2 VAL 105 9.696 -15.132 3.986 850 HG23 VAL 105 2HG2 VAL 105 10.801 -16.464 3.658 851 H ILE 106 H ILE 106 12.910 -12.298 1.314 852 HA ILE 106 HA ILE 106 11.057 -12.824 -0.874 853 HB ILE 106 HB ILE 106 11.421 -10.663 -1.914 854 HG12 ILE 106 1HG1 ILE 106 13.667 -10.113 -0.968 855 HG13 ILE 106 2HG1 ILE 106 12.553 -8.763 -0.896 856 HG21 ILE 106 1HG2 ILE 106 10.344 -10.326 0.853 857 HG22 ILE 106 2HG2 ILE 106 9.460 -10.822 -0.587 858 HG23 ILE 106 3HG2 ILE 106 10.121 -9.187 -0.475 859 HD11 ILE 106 3HD1 ILE 106 13.371 -10.534 1.391 860 HD12 ILE 106 1HD1 ILE 106 12.227 -9.199 1.493 861 HD13 ILE 106 2HD1 ILE 106 13.915 -8.884 1.084 862 HA PRO 107 HA PRO 107 14.941 -13.725 -2.969 863 HB2 PRO 107 1HB PRO 107 13.947 -12.331 -5.379 864 HB3 PRO 107 2HB PRO 107 14.381 -14.031 -5.195 865 HG2 PRO 107 1HG PRO 107 11.830 -13.281 -5.492 866 HG3 PRO 107 2HG PRO 107 12.280 -14.620 -4.422 867 HD2 PRO 107 1HD PRO 107 11.612 -11.789 -3.726 868 HD3 PRO 107 2HD PRO 107 11.102 -13.297 -2.929 869 H GLU 108 H GLU 108 16.449 -12.402 -2.088 870 HA GLU 108 HA GLU 108 16.496 -9.610 -2.898 871 HB2 GLU 108 1HB GLU 108 17.848 -9.247 -0.804 872 HB3 GLU 108 2HB GLU 108 16.201 -9.772 -0.509 873 HG2 GLU 108 1HG GLU 108 17.027 -12.064 -0.117 874 HG3 GLU 108 2HG GLU 108 18.672 -11.499 -0.375 Start of MODEL 3 1 HA TYR 1 HA TYR 1 -20.579 -3.475 -0.309 2 HD1 TYR 1 1HD TYR 1 -19.956 -4.250 -2.729 3 HD2 TYR 1 2HD TYR 1 -21.865 -0.513 -3.366 4 HE1 TYR 1 1HE TYR 1 -20.992 -5.134 -4.765 5 HE2 TYR 1 2HE TYR 1 -22.909 -1.386 -5.409 6 HH TYR 1 HH TYR 1 -22.610 -3.168 -7.049 7 H1 TYR 1 1HT TYR 1 -22.547 -1.278 -0.327 8 H2 TYR 1 2HT TYR 1 -22.662 -2.710 0.522 9 H3 TYR 1 3HT TYR 1 -22.717 -2.739 -1.162 10 HB2 TYR 1 1HB TYR 1 -20.370 -0.730 -1.601 11 HB3 TYR 1 2HB TYR 1 -19.162 -2.008 -1.656 12 H THR 2 H THR 2 -19.857 -3.489 1.748 13 HA THR 2 HA THR 2 -19.212 -0.888 2.887 14 HB THR 2 HB THR 2 -21.185 -1.695 4.065 15 HG1 THR 2 1HG THR 2 -18.980 -2.131 5.820 16 HG21 THR 2 3HG2 THR 2 -19.564 -4.164 4.724 17 HG22 THR 2 1HG2 THR 2 -20.981 -4.104 3.674 18 HG23 THR 2 2HG2 THR 2 -21.143 -3.777 5.402 19 H ASP 3 H ASP 3 -17.326 -0.648 3.812 20 HA ASP 3 HA ASP 3 -15.316 -0.916 4.541 21 HB2 ASP 3 1HB ASP 3 -16.135 -3.734 5.142 22 HB3 ASP 3 2HB ASP 3 -14.575 -3.052 5.617 23 H LYS 4 H LYS 4 -15.956 -3.481 2.342 24 HA LYS 4 HA LYS 4 -13.274 -3.415 1.258 25 HB2 LYS 4 1HB LYS 4 -15.811 -4.495 0.022 26 HB3 LYS 4 2HB LYS 4 -14.218 -4.633 -0.703 27 HG2 LYS 4 1HG LYS 4 -13.504 -5.896 1.325 28 HG3 LYS 4 2HG LYS 4 -15.196 -5.901 1.834 29 HD2 LYS 4 1HD LYS 4 -15.814 -7.016 -0.255 30 HD3 LYS 4 2HD LYS 4 -14.121 -7.017 -0.755 31 HE2 LYS 4 1HE LYS 4 -13.576 -8.347 1.252 32 HE3 LYS 4 2HE LYS 4 -15.287 -8.391 1.656 33 HZ1 LYS 4 3HZ LYS 4 -14.068 -9.576 -0.795 34 HZ2 LYS 4 1HZ LYS 4 -15.710 -9.584 -0.411 35 HZ3 LYS 4 2HZ LYS 4 -14.592 -10.400 0.553 36 H TYR 5 H TYR 5 -12.469 -2.015 -0.047 37 HA TYR 5 HA TYR 5 -12.129 -0.106 -0.880 38 HD1 TYR 5 2HD TYR 5 -13.590 -2.797 -3.355 39 HD2 TYR 5 1HD TYR 5 -16.114 0.572 -2.834 40 HE1 TYR 5 2HE TYR 5 -15.448 -4.063 -4.308 41 HE2 TYR 5 1HE TYR 5 -17.996 -0.688 -3.808 42 HH TYR 5 HH TYR 5 -18.240 -2.609 -5.386 43 HB2 TYR 5 1HB TYR 5 -13.668 0.771 -2.832 44 HB3 TYR 5 2HB TYR 5 -12.657 -0.622 -3.030 45 H ASP 6 H ASP 6 -15.170 -0.166 0.396 46 HA ASP 6 HA ASP 6 -15.446 2.588 0.850 47 HB2 ASP 6 1HB ASP 6 -17.430 1.404 1.110 48 HB3 ASP 6 2HB ASP 6 -16.670 0.152 2.082 49 H LYS 7 H LYS 7 -13.695 0.035 2.736 50 HA LYS 7 HA LYS 7 -12.759 2.225 4.282 51 HB2 LYS 7 1HB LYS 7 -15.066 2.082 5.091 52 HB3 LYS 7 2HB LYS 7 -14.706 0.530 5.802 53 HG2 LYS 7 1HG LYS 7 -13.459 1.449 7.497 54 HG3 LYS 7 2HG LYS 7 -13.142 2.938 6.603 55 HD2 LYS 7 1HD LYS 7 -14.717 3.443 8.340 56 HD3 LYS 7 2HD LYS 7 -15.555 3.514 6.807 57 HE2 LYS 7 1HE LYS 7 -15.689 1.223 8.792 58 HE3 LYS 7 2HE LYS 7 -16.911 2.468 8.598 59 HZ1 LYS 7 3HZ LYS 7 -16.992 1.469 6.139 60 HZ2 LYS 7 1HZ LYS 7 -17.744 0.684 7.442 61 HZ3 LYS 7 2HZ LYS 7 -16.273 0.150 6.934 62 H ILE 8 H ILE 8 -13.111 -0.761 6.181 63 HA ILE 8 HA ILE 8 -10.212 -0.544 6.569 64 HB ILE 8 HB ILE 8 -10.568 -2.153 8.445 65 HG12 ILE 8 1HG1 ILE 8 -13.511 -1.692 7.898 66 HG13 ILE 8 2HG1 ILE 8 -12.658 -3.177 7.505 67 HG21 ILE 8 1HG2 ILE 8 -12.175 0.392 8.532 68 HG22 ILE 8 2HG2 ILE 8 -10.451 0.221 8.856 69 HG23 ILE 8 3HG2 ILE 8 -11.629 -0.528 9.932 70 HD11 ILE 8 3HD1 ILE 8 -13.069 -2.013 10.254 71 HD12 ILE 8 1HD1 ILE 8 -12.192 -3.502 9.897 72 HD13 ILE 8 2HD1 ILE 8 -13.922 -3.395 9.563 73 H ASN 9 H ASN 9 -11.024 -1.626 4.199 74 HA ASN 9 HA ASN 9 -10.759 -4.501 4.157 75 HB2 ASN 9 1HB ASN 9 -10.914 -4.149 1.783 76 HB3 ASN 9 2HB ASN 9 -12.157 -3.284 2.706 77 HD21 ASN 9 1HD2 ASN 9 -9.064 -2.755 1.091 78 HD22 ASN 9 2HD2 ASN 9 -9.314 -1.096 0.746 79 H LEU 10 H LEU 10 -8.317 -3.065 5.210 80 HA LEU 10 HA LEU 10 -6.707 -2.422 2.939 81 HG LEU 10 HG LEU 10 -5.534 -0.074 5.495 82 HB2 LEU 10 1HB LEU 10 -5.814 -2.660 5.814 83 HB3 LEU 10 2HB LEU 10 -4.839 -2.033 4.505 84 HD11 LEU 10 1HD1 LEU 10 -7.668 -0.519 3.492 85 HD12 LEU 10 2HD1 LEU 10 -6.034 0.085 3.219 86 HD13 LEU 10 3HD1 LEU 10 -7.169 1.027 4.185 87 HD21 LEU 10 3HD2 LEU 10 -7.660 0.351 6.527 88 HD22 LEU 10 1HD2 LEU 10 -6.973 -1.148 7.167 89 HD23 LEU 10 2HD2 LEU 10 -8.290 -1.208 5.970 90 H GLN 11 H GLN 11 -6.988 -5.095 5.020 91 HA GLN 11 HA GLN 11 -4.927 -6.473 3.559 92 HB2 GLN 11 1HB GLN 11 -6.593 -7.207 5.901 93 HB3 GLN 11 2HB GLN 11 -5.580 -8.386 5.080 94 HG2 GLN 11 1HG GLN 11 -4.643 -5.798 6.282 95 HG3 GLN 11 2HG GLN 11 -4.439 -7.397 6.997 96 HE21 GLN 11 1HE2 GLN 11 -3.434 -5.281 4.314 97 HE22 GLN 11 2HE2 GLN 11 -2.015 -6.163 3.982 98 H GLU 12 H GLU 12 -8.385 -6.242 3.536 99 HA GLU 12 HA GLU 12 -8.856 -8.874 2.488 100 HB2 GLU 12 1HB GLU 12 -10.606 -6.424 2.643 101 HB3 GLU 12 2HB GLU 12 -11.140 -7.912 1.896 102 HG2 GLU 12 1HG GLU 12 -12.000 -7.706 4.115 103 HG3 GLU 12 2HG GLU 12 -10.897 -9.076 4.032 104 H ILE 13 H ILE 13 -8.793 -5.673 1.210 105 HA ILE 13 HA ILE 13 -9.287 -6.445 -1.459 106 HB ILE 13 HB ILE 13 -8.462 -3.933 -0.099 107 HG12 ILE 13 1HG1 ILE 13 -10.847 -4.445 -0.082 108 HG13 ILE 13 2HG1 ILE 13 -10.527 -3.040 -1.107 109 HG21 ILE 13 1HG2 ILE 13 -8.439 -2.741 -2.214 110 HG22 ILE 13 2HG2 ILE 13 -8.496 -4.301 -3.052 111 HG23 ILE 13 3HG2 ILE 13 -7.133 -3.902 -1.993 112 HD11 ILE 13 3HD1 ILE 13 -10.611 -4.567 -3.031 113 HD12 ILE 13 1HD1 ILE 13 -12.150 -4.360 -2.168 114 HD13 ILE 13 2HD1 ILE 13 -11.204 -5.818 -1.914 115 H LEU 14 H LEU 14 -6.321 -5.460 0.308 116 HA LEU 14 HA LEU 14 -4.553 -5.468 -1.808 117 HG LEU 14 HG LEU 14 -2.096 -6.627 -0.323 118 HB2 LEU 14 1HB LEU 14 -4.125 -4.516 0.362 119 HB3 LEU 14 2HB LEU 14 -4.091 -6.114 1.069 120 HD11 LEU 14 1HD1 LEU 14 -0.865 -4.763 -1.288 121 HD12 LEU 14 2HD1 LEU 14 -2.225 -3.687 -0.960 122 HD13 LEU 14 3HD1 LEU 14 -2.403 -5.027 -2.100 123 HD21 LEU 14 3HD2 LEU 14 -1.988 -4.289 1.505 124 HD22 LEU 14 1HD2 LEU 14 -0.591 -5.275 1.056 125 HD23 LEU 14 2HD2 LEU 14 -1.919 -5.997 1.969 126 H GLU 15 H GLU 15 -5.770 -8.155 0.012 127 HA GLU 15 HA GLU 15 -3.815 -10.011 -0.597 128 HB2 GLU 15 1HB GLU 15 -5.306 -10.500 1.076 129 HB3 GLU 15 2HB GLU 15 -6.739 -10.298 0.059 130 HG2 GLU 15 1HG GLU 15 -6.039 -12.320 -1.200 131 HG3 GLU 15 2HG GLU 15 -4.690 -12.511 -0.086 132 H ASN 16 H ASN 16 -6.258 -8.701 -2.656 133 HA ASN 16 HA ASN 16 -5.401 -10.597 -4.726 134 HB2 ASN 16 1HB ASN 16 -8.217 -9.635 -4.216 135 HB3 ASN 16 2HB ASN 16 -7.707 -10.451 -5.686 136 HD21 ASN 16 1HD2 ASN 16 -8.448 -10.800 -2.339 137 HD22 ASN 16 2HD2 ASN 16 -8.449 -12.523 -2.318 138 H LYS 17 H LYS 17 -4.563 -9.510 -6.466 139 HA LYS 17 HA LYS 17 -4.663 -6.710 -6.501 140 HB2 LYS 17 1HB LYS 17 -3.558 -6.667 -8.661 141 HB3 LYS 17 2HB LYS 17 -2.798 -7.850 -7.626 142 HG2 LYS 17 1HG LYS 17 -4.829 -8.584 -9.708 143 HG3 LYS 17 2HG LYS 17 -3.112 -8.440 -10.077 144 HD2 LYS 17 1HD LYS 17 -4.325 -10.295 -8.028 145 HD3 LYS 17 2HD LYS 17 -3.860 -10.750 -9.657 146 HE2 LYS 17 1HE LYS 17 -2.020 -9.812 -7.438 147 HE3 LYS 17 2HE LYS 17 -2.119 -11.430 -8.116 148 HZ1 LYS 17 3HZ LYS 17 -1.394 -10.336 -10.307 149 HZ2 LYS 17 1HZ LYS 17 -0.243 -10.387 -9.066 150 HZ3 LYS 17 2HZ LYS 17 -1.051 -8.978 -9.346 151 H ARG 18 H ARG 18 -6.683 -8.989 -7.859 152 HA ARG 18 HA ARG 18 -8.160 -7.266 -9.529 153 HE ARG 18 HE ARG 18 -8.092 -12.447 -6.668 154 HB2 ARG 18 1HB ARG 18 -10.053 -9.015 -9.252 155 HB3 ARG 18 2HB ARG 18 -8.570 -9.501 -10.049 156 HG2 ARG 18 1HG ARG 18 -9.035 -10.088 -7.131 157 HG3 ARG 18 2HG ARG 18 -9.717 -11.120 -8.378 158 HD2 ARG 18 1HD ARG 18 -7.418 -11.507 -9.290 159 HD3 ARG 18 2HD ARG 18 -6.728 -10.565 -7.970 160 HH11 ARG 18 1HH1 ARG 18 -5.820 -12.685 -9.405 161 HH12 ARG 18 2HH1 ARG 18 -5.119 -14.120 -8.836 162 HH21 ARG 18 1HH2 ARG 18 -7.075 -14.390 -5.911 163 HH22 ARG 18 2HH2 ARG 18 -5.849 -15.118 -6.849 164 H LEU 19 H LEU 19 -8.348 -7.976 -6.117 165 HA LEU 19 HA LEU 19 -10.688 -6.382 -5.792 166 HG LEU 19 HG LEU 19 -10.222 -9.314 -4.733 167 HB2 LEU 19 1HB LEU 19 -8.798 -7.583 -3.783 168 HB3 LEU 19 2HB LEU 19 -10.197 -6.628 -3.359 169 HD11 LEU 19 1HD1 LEU 19 -11.263 -8.440 -2.050 170 HD12 LEU 19 2HD1 LEU 19 -9.761 -9.308 -2.317 171 HD13 LEU 19 3HD1 LEU 19 -11.302 -10.075 -2.715 172 HD21 LEU 19 3HD2 LEU 19 -12.516 -7.489 -4.013 173 HD22 LEU 19 1HD2 LEU 19 -12.670 -9.157 -4.565 174 HD23 LEU 19 2HD2 LEU 19 -12.006 -7.938 -5.642 175 H LEU 20 H LEU 20 -7.276 -5.941 -5.798 176 HA LEU 20 HA LEU 20 -7.155 -3.403 -4.579 177 HG LEU 20 HG LEU 20 -5.136 -5.534 -4.285 178 HB2 LEU 20 1HB LEU 20 -5.434 -4.789 -6.624 179 HB3 LEU 20 2HB LEU 20 -5.079 -3.135 -6.140 180 HD11 LEU 20 1HD1 LEU 20 -2.796 -3.941 -5.320 181 HD12 LEU 20 2HD1 LEU 20 -3.227 -5.544 -5.900 182 HD13 LEU 20 3HD1 LEU 20 -2.727 -5.319 -4.226 183 HD21 LEU 20 3HD2 LEU 20 -5.735 -3.508 -3.160 184 HD22 LEU 20 1HD2 LEU 20 -4.383 -2.664 -3.905 185 HD23 LEU 20 2HD2 LEU 20 -4.061 -3.913 -2.729 186 H GLU 21 H GLU 21 -7.603 -4.433 -7.879 187 HA GLU 21 HA GLU 21 -8.115 -2.010 -9.091 188 HB2 GLU 21 1HB GLU 21 -9.074 -4.794 -9.548 189 HB3 GLU 21 2HB GLU 21 -9.692 -3.484 -10.533 190 HG2 GLU 21 1HG GLU 21 -6.757 -3.987 -10.180 191 HG3 GLU 21 2HG GLU 21 -7.703 -4.798 -11.427 192 H SER 22 H SER 22 -10.220 -3.961 -7.037 193 HA SER 22 HA SER 22 -12.549 -2.466 -7.551 194 HG SER 22 HG SER 22 -12.134 -4.766 -7.578 195 HB2 SER 22 1HB SER 22 -11.974 -4.027 -4.997 196 HB3 SER 22 2HB SER 22 -13.533 -3.614 -5.703 197 H TYR 23 H TYR 23 -10.058 -1.995 -4.914 198 HA TYR 23 HA TYR 23 -11.551 0.451 -4.305 199 HD1 TYR 23 2HD TYR 23 -8.013 -0.967 -4.217 200 HD2 TYR 23 1HD TYR 23 -9.096 0.279 -0.328 201 HE1 TYR 23 2HE TYR 23 -5.668 -1.122 -3.513 202 HE2 TYR 23 1HE TYR 23 -6.799 0.165 0.426 203 HH TYR 23 HH TYR 23 -4.712 -0.875 -0.207 204 HB2 TYR 23 1HB TYR 23 -10.439 0.790 -2.285 205 HB3 TYR 23 2HB TYR 23 -10.792 -0.871 -2.105 206 H MET 24 H MET 24 -9.649 -0.172 -6.543 207 HA MET 24 HA MET 24 -7.669 1.727 -6.475 208 HB2 MET 24 1HB MET 24 -9.017 0.448 -8.776 209 HB3 MET 24 2HB MET 24 -8.030 1.884 -9.058 210 HG2 MET 24 1HG MET 24 -7.108 -0.629 -7.690 211 HG3 MET 24 2HG MET 24 -6.737 -0.163 -9.352 212 HE1 MET 24 3HE MET 24 -4.126 -0.546 -8.708 213 HE2 MET 24 1HE MET 24 -3.341 0.284 -7.367 214 HE3 MET 24 2HE MET 24 -4.584 -0.920 -7.046 215 H ASP 25 H ASP 25 -10.973 2.422 -6.658 216 HA ASP 25 HA ASP 25 -10.904 5.004 -7.806 217 HB2 ASP 25 1HB ASP 25 -13.019 4.157 -7.278 218 HB3 ASP 25 2HB ASP 25 -12.580 3.889 -5.598 219 H CYS 26 H CYS 26 -10.377 3.946 -4.522 220 HA CYS 26 HA CYS 26 -9.856 6.605 -3.771 221 HB2 CYS 26 1HB CYS 26 -9.257 5.301 -1.529 222 HB3 CYS 26 2HB CYS 26 -10.919 5.663 -2.012 223 H VAL 27 H VAL 27 -7.869 3.853 -4.575 224 HA VAL 27 HA VAL 27 -5.530 5.266 -3.661 225 HB VAL 27 HB VAL 27 -5.717 2.780 -5.382 226 HG11 VAL 27 1HG1 VAL 27 -3.319 3.979 -3.976 227 HG12 VAL 27 2HG1 VAL 27 -3.349 2.426 -4.807 228 HG13 VAL 27 3HG1 VAL 27 -3.573 3.917 -5.720 229 HG21 VAL 27 3HG2 VAL 27 -5.168 3.132 -2.440 230 HG22 VAL 27 1HG2 VAL 27 -5.124 1.603 -3.316 231 HG23 VAL 27 2HG2 VAL 27 -6.644 2.486 -3.155 232 H LEU 28 H LEU 28 -6.718 4.417 -6.952 233 HA LEU 28 HA LEU 28 -4.818 6.391 -8.025 234 HG LEU 28 HG LEU 28 -4.302 4.124 -11.037 235 HB2 LEU 28 1HB LEU 28 -4.825 3.908 -8.713 236 HB3 LEU 28 2HB LEU 28 -6.285 4.262 -9.589 237 HD11 LEU 28 1HD1 LEU 28 -4.562 6.169 -12.319 238 HD12 LEU 28 2HD1 LEU 28 -5.452 6.896 -10.976 239 HD13 LEU 28 3HD1 LEU 28 -6.115 5.494 -11.819 240 HD21 LEU 28 3HD2 LEU 28 -2.620 4.907 -9.464 241 HD22 LEU 28 1HD2 LEU 28 -3.293 6.535 -9.529 242 HD23 LEU 28 2HD2 LEU 28 -2.554 5.824 -10.966 243 H GLY 29 H GLY 29 -8.198 5.543 -7.940 244 HA2 GLY 29 1HA GLY 29 -9.890 7.309 -8.123 245 HA3 GLY 29 2HA GLY 29 -8.889 8.049 -9.367 246 H LYS 30 H LYS 30 -9.820 4.645 -8.990 247 HA LYS 30 HA LYS 30 -10.845 4.743 -11.739 248 HB2 LYS 30 1HB LYS 30 -9.807 2.378 -10.207 249 HB3 LYS 30 2HB LYS 30 -10.327 2.389 -11.892 250 HG2 LYS 30 1HG LYS 30 -8.516 3.982 -12.420 251 HG3 LYS 30 2HG LYS 30 -8.033 3.940 -10.724 252 HD2 LYS 30 1HD LYS 30 -6.571 2.510 -12.059 253 HD3 LYS 30 2HD LYS 30 -7.510 1.534 -10.939 254 HE2 LYS 30 1HE LYS 30 -9.059 0.955 -12.747 255 HE3 LYS 30 2HE LYS 30 -8.121 1.958 -13.854 256 HZ1 LYS 30 3HZ LYS 30 -7.191 -0.523 -12.495 257 HZ2 LYS 30 1HZ LYS 30 -6.222 0.473 -13.481 258 HZ3 LYS 30 2HZ LYS 30 -7.554 -0.294 -14.126 259 H GLY 31 H GLY 31 -11.569 2.472 -9.015 260 HA2 GLY 31 1HA GLY 31 -14.210 1.934 -10.030 261 HA3 GLY 31 2HA GLY 31 -13.523 1.292 -8.549 262 H LYS 32 H LYS 32 -14.945 1.765 -6.885 263 HA LYS 32 HA LYS 32 -15.416 4.575 -6.441 264 HB2 LYS 32 1HB LYS 32 -17.852 4.220 -5.894 265 HB3 LYS 32 2HB LYS 32 -17.419 4.211 -7.590 266 HG2 LYS 32 1HG LYS 32 -17.703 1.870 -7.747 267 HG3 LYS 32 2HG LYS 32 -17.788 1.697 -5.990 268 HD2 LYS 32 1HD LYS 32 -19.884 2.815 -5.898 269 HD3 LYS 32 2HD LYS 32 -19.743 3.324 -7.580 270 HE2 LYS 32 1HE LYS 32 -19.918 0.443 -6.725 271 HE3 LYS 32 2HE LYS 32 -21.322 1.415 -7.168 272 HZ1 LYS 32 3HZ LYS 32 -20.361 1.768 -9.339 273 HZ2 LYS 32 1HZ LYS 32 -20.500 0.124 -9.049 274 HZ3 LYS 32 2HZ LYS 32 -19.000 0.881 -8.948 275 H CYS 33 H CYS 33 -14.462 4.874 -4.573 276 HA CYS 33 HA CYS 33 -15.183 3.180 -2.295 277 HB2 CYS 33 1HB CYS 33 -12.993 5.260 -2.583 278 HB3 CYS 33 2HB CYS 33 -13.206 4.134 -1.248 279 H THR 34 H THR 34 -15.399 4.704 -0.182 280 HA THR 34 HA THR 34 -17.087 6.885 -0.878 281 HB THR 34 HB THR 34 -17.287 6.813 1.691 282 HG1 THR 34 1HG THR 34 -16.643 4.441 2.249 283 HG21 THR 34 3HG2 THR 34 -18.052 4.375 0.058 284 HG22 THR 34 1HG2 THR 34 -18.989 5.862 0.182 285 HG23 THR 34 2HG2 THR 34 -18.776 4.838 1.598 286 HA PRO 35 HA PRO 35 -14.121 10.171 -0.023 287 HB2 PRO 35 1HB PRO 35 -15.762 10.985 2.324 288 HB3 PRO 35 2HB PRO 35 -15.209 11.964 0.960 289 HG2 PRO 35 1HG PRO 35 -17.743 11.167 1.110 290 HG3 PRO 35 2HG PRO 35 -16.886 11.183 -0.446 291 HD2 PRO 35 1HD PRO 35 -17.603 8.903 1.329 292 HD3 PRO 35 2HD PRO 35 -17.577 8.994 -0.442 293 H GLU 36 H GLU 36 -15.408 8.761 2.960 294 HA GLU 36 HA GLU 36 -13.217 9.122 4.673 295 HB2 GLU 36 1HB GLU 36 -15.506 8.373 5.356 296 HB3 GLU 36 2HB GLU 36 -15.204 6.857 4.564 297 HG2 GLU 36 1HG GLU 36 -14.943 6.638 6.986 298 HG3 GLU 36 2HG GLU 36 -13.453 6.278 6.126 299 H GLY 37 H GLY 37 -14.093 6.586 2.408 300 HA2 GLY 37 1HA GLY 37 -12.068 4.768 3.042 301 HA3 GLY 37 2HA GLY 37 -12.989 4.822 1.544 302 H LYS 38 H LYS 38 -12.343 7.316 0.682 303 HA LYS 38 HA LYS 38 -10.015 6.923 -0.737 304 HB2 LYS 38 1HB LYS 38 -11.624 9.362 -0.169 305 HB3 LYS 38 2HB LYS 38 -10.080 9.501 -0.987 306 HG2 LYS 38 1HG LYS 38 -10.959 7.818 -2.626 307 HG3 LYS 38 2HG LYS 38 -12.541 8.056 -1.896 308 HD2 LYS 38 1HD LYS 38 -12.702 10.274 -2.540 309 HD3 LYS 38 2HD LYS 38 -10.965 10.463 -2.739 310 HE2 LYS 38 1HE LYS 38 -12.051 10.510 -4.905 311 HE3 LYS 38 2HE LYS 38 -11.078 9.051 -4.760 312 HZ1 LYS 38 3HZ LYS 38 -14.015 9.176 -4.379 313 HZ2 LYS 38 1HZ LYS 38 -13.089 7.764 -4.412 314 HZ3 LYS 38 2HZ LYS 38 -13.242 8.684 -5.780 315 H GLU 39 H GLU 39 -10.431 8.925 2.127 316 HA GLU 39 HA GLU 39 -7.725 9.797 1.795 317 HB2 GLU 39 1HB GLU 39 -9.791 10.526 3.835 318 HB3 GLU 39 2HB GLU 39 -8.218 11.320 3.654 319 HG2 GLU 39 1HG GLU 39 -8.806 11.945 1.376 320 HG3 GLU 39 2HG GLU 39 -10.355 11.129 1.561 321 H LEU 40 H LEU 40 -9.420 7.538 3.747 322 HA LEU 40 HA LEU 40 -7.387 7.315 5.680 323 HG LEU 40 HG LEU 40 -9.728 4.818 3.898 324 HB2 LEU 40 1HB LEU 40 -8.560 5.517 6.590 325 HB3 LEU 40 2HB LEU 40 -9.793 6.502 5.895 326 HD11 LEU 40 1HD1 LEU 40 -8.495 3.071 6.052 327 HD12 LEU 40 2HD1 LEU 40 -7.719 3.564 4.547 328 HD13 LEU 40 3HD1 LEU 40 -9.104 2.511 4.494 329 HD21 LEU 40 3HD2 LEU 40 -11.333 3.381 5.053 330 HD22 LEU 40 1HD2 LEU 40 -11.613 5.092 5.383 331 HD23 LEU 40 2HD2 LEU 40 -10.831 4.078 6.597 332 H LYS 41 H LYS 41 -8.056 5.625 2.671 333 HA LYS 41 HA LYS 41 -5.799 3.864 2.910 334 HB2 LYS 41 1HB LYS 41 -7.582 4.565 0.596 335 HB3 LYS 41 2HB LYS 41 -6.314 3.353 0.528 336 HG2 LYS 41 1HG LYS 41 -7.451 1.871 1.735 337 HG3 LYS 41 2HG LYS 41 -8.392 3.000 2.668 338 HD2 LYS 41 1HD LYS 41 -9.518 3.606 0.491 339 HD3 LYS 41 2HD LYS 41 -8.682 2.233 -0.221 340 HE2 LYS 41 1HE LYS 41 -10.884 1.540 0.362 341 HE3 LYS 41 2HE LYS 41 -9.788 0.815 1.534 342 HZ1 LYS 41 3HZ LYS 41 -11.334 3.282 1.968 343 HZ2 LYS 41 1HZ LYS 41 -10.391 2.471 3.122 344 HZ3 LYS 41 2HZ LYS 41 -11.785 1.744 2.500 345 H ASP 42 H ASP 42 -6.531 6.905 1.448 346 HA ASP 42 HA ASP 42 -4.479 7.356 -0.299 347 HB2 ASP 42 1HB ASP 42 -6.345 8.897 0.137 348 HB3 ASP 42 2HB ASP 42 -5.666 9.261 1.715 349 H HIS 43 H HIS 43 -4.524 8.115 3.154 350 HA HIS 43 HA HIS 43 -1.699 8.588 3.134 351 HD1 HIS 43 1HD HIS 43 -0.883 10.918 3.926 352 HD2 HIS 43 2HD HIS 43 -4.947 11.040 4.862 353 HE1 HIS 43 1HE HIS 43 -1.610 13.261 3.487 354 HE2 HIS 43 2HE HIS 43 -4.124 13.148 3.674 355 HB2 HIS 43 1HB HIS 43 -3.695 8.693 5.336 356 HB3 HIS 43 2HB HIS 43 -1.970 8.907 5.645 357 H LEU 44 H LEU 44 -3.653 5.862 3.892 358 HA LEU 44 HA LEU 44 -1.691 4.621 5.572 359 HG LEU 44 HG LEU 44 -2.489 2.408 6.525 360 HB2 LEU 44 1HB LEU 44 -4.156 4.257 5.740 361 HB3 LEU 44 2HB LEU 44 -4.103 3.411 4.213 362 HD11 LEU 44 1HD1 LEU 44 -4.448 1.041 7.171 363 HD12 LEU 44 2HD1 LEU 44 -5.434 1.950 6.017 364 HD13 LEU 44 3HD1 LEU 44 -4.730 2.763 7.410 365 HD21 LEU 44 3HD2 LEU 44 -2.936 0.248 5.443 366 HD22 LEU 44 1HD2 LEU 44 -2.179 1.379 4.322 367 HD23 LEU 44 2HD2 LEU 44 -3.909 1.064 4.218 368 H GLN 45 H GLN 45 -2.791 3.994 2.228 369 HA GLN 45 HA GLN 45 -0.648 2.236 1.720 370 HB2 GLN 45 1HB GLN 45 -2.796 3.474 0.076 371 HB3 GLN 45 2HB GLN 45 -1.352 2.972 -0.785 372 HG2 GLN 45 1HG GLN 45 -3.086 1.239 -0.855 373 HG3 GLN 45 2HG GLN 45 -1.642 0.680 -0.032 374 HE21 GLN 45 1HE2 GLN 45 -2.837 -1.014 0.915 375 HE22 GLN 45 2HE2 GLN 45 -3.829 -0.779 2.293 376 H GLU 46 H GLU 46 -1.009 5.687 1.611 377 HA GLU 46 HA GLU 46 1.380 6.372 0.316 378 HB2 GLU 46 1HB GLU 46 -0.325 7.993 1.019 379 HB3 GLU 46 2HB GLU 46 0.034 7.621 2.692 380 HG2 GLU 46 1HG GLU 46 2.212 8.550 2.469 381 HG3 GLU 46 2HG GLU 46 1.933 8.910 0.762 382 H ALA 47 H ALA 47 0.723 5.697 3.764 383 HA ALA 47 HA ALA 47 3.229 5.978 4.893 384 HB1 ALA 47 3HB ALA 47 2.508 4.416 6.601 385 HB2 ALA 47 1HB ALA 47 1.192 5.539 6.196 386 HB3 ALA 47 2HB ALA 47 1.189 3.878 5.569 387 H LEU 48 H LEU 48 1.904 3.346 3.114 388 HA LEU 48 HA LEU 48 3.696 1.299 3.529 389 HG LEU 48 HG LEU 48 2.972 -0.739 1.959 390 HB2 LEU 48 1HB LEU 48 1.553 1.307 2.202 391 HB3 LEU 48 2HB LEU 48 2.429 2.046 0.894 392 HD11 LEU 48 1HD1 LEU 48 1.740 -1.541 0.080 393 HD12 LEU 48 2HD1 LEU 48 1.487 0.099 -0.510 394 HD13 LEU 48 3HD1 LEU 48 0.714 -0.423 0.984 395 HD21 LEU 48 3HD2 LEU 48 4.193 -1.071 -0.128 396 HD22 LEU 48 1HD2 LEU 48 4.891 0.282 0.761 397 HD23 LEU 48 2HD2 LEU 48 3.841 0.585 -0.625 398 H GLU 49 H GLU 49 4.016 3.997 1.125 399 HA GLU 49 HA GLU 49 6.890 3.424 1.126 400 HB2 GLU 49 1HB GLU 49 5.450 2.302 -0.787 401 HB3 GLU 49 2HB GLU 49 5.577 3.894 -1.510 402 HG2 GLU 49 1HG GLU 49 7.935 2.360 -0.565 403 HG3 GLU 49 2HG GLU 49 7.292 2.137 -2.197 404 H THR 50 H THR 50 4.369 5.643 -0.194 405 HA THR 50 HA THR 50 6.299 7.566 -0.972 406 HB THR 50 HB THR 50 4.088 8.815 -1.477 407 HG1 THR 50 1HG THR 50 2.351 7.337 -1.683 408 HG21 THR 50 3HG2 THR 50 4.873 6.228 -2.832 409 HG22 THR 50 1HG2 THR 50 5.464 7.845 -3.211 410 HG23 THR 50 2HG2 THR 50 3.780 7.426 -3.530 411 H GLY 51 H GLY 51 4.904 6.939 1.959 412 HA2 GLY 51 1HA GLY 51 5.267 9.752 2.741 413 HA3 GLY 51 2HA GLY 51 3.839 8.901 3.271 414 H CYS 52 H CYS 52 3.905 8.024 5.155 415 HA CYS 52 HA CYS 52 6.508 7.464 6.300 416 HB2 CYS 52 1HB CYS 52 5.835 8.634 8.422 417 HB3 CYS 52 2HB CYS 52 6.160 9.674 7.041 418 H GLU 53 H GLU 53 6.463 5.500 6.745 419 HA GLU 53 HA GLU 53 4.376 3.763 7.259 420 HB2 GLU 53 1HB GLU 53 7.094 3.384 8.496 421 HB3 GLU 53 2HB GLU 53 5.989 2.172 7.889 422 HG2 GLU 53 1HG GLU 53 7.741 2.191 6.366 423 HG3 GLU 53 2HG GLU 53 6.483 3.137 5.572 424 H LYS 54 H LYS 54 6.665 5.180 9.548 425 HA LYS 54 HA LYS 54 5.154 4.056 11.732 426 HB2 LYS 54 1HB LYS 54 7.064 4.889 13.176 427 HB3 LYS 54 2HB LYS 54 7.412 3.610 12.035 428 HG2 LYS 54 1HG LYS 54 9.264 5.123 12.086 429 HG3 LYS 54 2HG LYS 54 8.462 5.309 10.545 430 HD2 LYS 54 1HD LYS 54 9.120 7.489 11.415 431 HD3 LYS 54 2HD LYS 54 7.366 7.359 11.386 432 HE2 LYS 54 1HE LYS 54 8.175 8.443 13.438 433 HE3 LYS 54 2HE LYS 54 7.336 6.936 13.787 434 HZ1 LYS 54 3HZ LYS 54 9.463 5.861 14.139 435 HZ2 LYS 54 1HZ LYS 54 9.364 7.251 15.074 436 HZ3 LYS 54 2HZ LYS 54 10.288 7.276 13.685 437 H CYS 55 H CYS 55 4.199 6.424 10.254 438 HA CYS 55 HA CYS 55 4.363 8.696 11.874 439 HB2 CYS 55 1HB CYS 55 2.865 7.876 9.580 440 HB3 CYS 55 2HB CYS 55 1.898 8.889 10.635 441 H THR 56 H THR 56 1.096 7.280 11.524 442 HA THR 56 HA THR 56 0.739 7.796 14.356 443 HB THR 56 HB THR 56 -1.679 7.500 13.833 444 HG1 THR 56 1HG THR 56 -2.210 7.394 11.523 445 HG21 THR 56 3HG2 THR 56 -0.300 9.440 11.979 446 HG22 THR 56 1HG2 THR 56 -0.667 9.739 13.676 447 HG23 THR 56 2HG2 THR 56 -1.978 9.529 12.515 448 H GLU 57 H GLU 57 -0.672 6.070 15.437 449 HA GLU 57 HA GLU 57 0.489 3.565 15.118 450 HB2 GLU 57 1HB GLU 57 -0.481 4.134 17.230 451 HB3 GLU 57 2HB GLU 57 -2.058 4.385 16.497 452 HG2 GLU 57 1HG GLU 57 -2.347 2.082 16.124 453 HG3 GLU 57 2HG GLU 57 -0.662 1.738 16.504 454 H ALA 58 H ALA 58 -2.465 4.960 13.940 455 HA ALA 58 HA ALA 58 -3.569 2.723 12.675 456 HB1 ALA 58 3HB ALA 58 -4.837 4.776 13.015 457 HB2 ALA 58 1HB ALA 58 -3.785 5.624 11.884 458 HB3 ALA 58 2HB ALA 58 -4.840 4.328 11.309 459 H GLN 59 H GLN 59 -1.285 5.177 11.445 460 HA GLN 59 HA GLN 59 -1.118 3.952 8.897 461 HB2 GLN 59 1HB GLN 59 0.676 6.018 10.153 462 HB3 GLN 59 2HB GLN 59 0.890 5.404 8.522 463 HG2 GLN 59 1HG GLN 59 -1.399 6.209 7.975 464 HG3 GLN 59 2HG GLN 59 -1.482 6.903 9.592 465 HE21 GLN 59 1HE2 GLN 59 1.460 6.916 7.683 466 HE22 GLN 59 2HE2 GLN 59 1.476 8.581 7.354 467 H GLU 60 H GLU 60 1.047 3.783 11.736 468 HA GLU 60 HA GLU 60 2.932 2.155 10.420 469 HB2 GLU 60 1HB GLU 60 3.718 1.360 12.636 470 HB3 GLU 60 2HB GLU 60 3.537 3.103 12.568 471 HG2 GLU 60 1HG GLU 60 1.606 3.065 13.775 472 HG3 GLU 60 2HG GLU 60 1.406 1.324 13.709 473 H LYS 61 H LYS 61 -0.031 1.216 12.020 474 HA LYS 61 HA LYS 61 0.474 -1.595 11.727 475 HB2 LYS 61 1HB LYS 61 -2.184 -0.214 12.108 476 HB3 LYS 61 2HB LYS 61 -1.841 -1.910 12.408 477 HG2 LYS 61 1HG LYS 61 -0.679 0.418 13.925 478 HG3 LYS 61 2HG LYS 61 -2.000 -0.608 14.464 479 HD2 LYS 61 1HD LYS 61 -0.577 -2.477 14.670 480 HD3 LYS 61 2HD LYS 61 0.750 -1.661 13.830 481 HE2 LYS 61 1HE LYS 61 1.134 -1.705 16.235 482 HE3 LYS 61 2HE LYS 61 0.913 -0.058 15.661 483 HZ1 LYS 61 3HZ LYS 61 -0.321 -0.329 17.683 484 HZ2 LYS 61 1HZ LYS 61 -1.084 -1.716 17.106 485 HZ3 LYS 61 2HZ LYS 61 -1.434 -0.224 16.439 486 H GLY 62 H GLY 62 -1.115 0.911 9.914 487 HA2 GLY 62 1HA GLY 62 -2.309 -0.780 7.969 488 HA3 GLY 62 2HA GLY 62 -2.043 0.981 7.847 489 H ALA 63 H ALA 63 0.722 0.918 8.190 490 HA ALA 63 HA ALA 63 1.584 0.366 5.586 491 HB1 ALA 63 3HB ALA 63 2.606 2.097 6.990 492 HB2 ALA 63 1HB ALA 63 3.242 0.847 8.059 493 HB3 ALA 63 2HB ALA 63 3.808 0.950 6.393 494 H GLU 64 H GLU 64 1.834 -1.428 8.622 495 HA GLU 64 HA GLU 64 3.749 -3.234 7.487 496 HB2 GLU 64 1HB GLU 64 3.675 -4.469 9.524 497 HB3 GLU 64 2HB GLU 64 3.686 -2.756 9.905 498 HG2 GLU 64 1HG GLU 64 1.355 -2.823 10.391 499 HG3 GLU 64 2HG GLU 64 1.266 -4.538 9.960 500 H THR 65 H THR 65 0.326 -3.135 7.801 501 HA THR 65 HA THR 65 -0.054 -5.840 7.032 502 HB THR 65 HB THR 65 -2.390 -4.846 6.444 503 HG1 THR 65 1HG THR 65 -1.594 -2.837 8.224 504 HG21 THR 65 3HG2 THR 65 -1.428 -4.888 9.307 505 HG22 THR 65 1HG2 THR 65 -2.030 -6.274 8.383 506 HG23 THR 65 2HG2 THR 65 -3.111 -4.934 8.769 507 H SER 66 H SER 66 -0.165 -2.724 5.382 508 HA SER 66 HA SER 66 -0.846 -3.860 2.939 509 HG SER 66 HG SER 66 -1.500 -1.191 4.554 510 HB2 SER 66 1HB SER 66 0.342 -1.147 3.482 511 HB3 SER 66 2HB SER 66 -0.490 -1.665 2.003 512 H ILE 67 H ILE 67 2.288 -2.984 4.293 513 HA ILE 67 HA ILE 67 3.722 -3.532 1.922 514 HB ILE 67 HB ILE 67 4.648 -3.474 4.826 515 HG12 ILE 67 1HG1 ILE 67 5.024 -1.411 2.629 516 HG13 ILE 67 2HG1 ILE 67 3.729 -1.358 3.817 517 HG21 ILE 67 1HG2 ILE 67 6.182 -4.831 3.474 518 HG22 ILE 67 2HG2 ILE 67 6.933 -3.316 3.960 519 HG23 ILE 67 3HG2 ILE 67 6.334 -3.513 2.312 520 HD11 ILE 67 3HD1 ILE 67 6.690 -1.115 4.365 521 HD12 ILE 67 1HD1 ILE 67 5.414 -1.159 5.600 522 HD13 ILE 67 2HD1 ILE 67 5.452 0.161 4.444 523 H ASP 68 H ASP 68 2.720 -5.513 4.676 524 HA ASP 68 HA ASP 68 4.224 -7.794 4.146 525 HB2 ASP 68 1HB ASP 68 3.181 -7.785 6.235 526 HB3 ASP 68 2HB ASP 68 1.611 -7.381 5.557 527 H TYR 69 H TYR 69 0.801 -7.232 3.099 528 HA TYR 69 HA TYR 69 1.121 -9.686 1.704 529 HD1 TYR 69 1HD TYR 69 -1.540 -9.383 -0.949 530 HD2 TYR 69 2HD TYR 69 -1.179 -11.277 2.831 531 HE1 TYR 69 1HE TYR 69 -2.182 -11.530 -1.960 532 HE2 TYR 69 2HE TYR 69 -1.829 -13.422 1.828 533 HH TYR 69 HH TYR 69 -1.946 -13.939 -1.544 534 HB2 TYR 69 1HB TYR 69 -1.234 -8.870 2.662 535 HB3 TYR 69 2HB TYR 69 -1.334 -8.074 1.091 536 H LEU 70 H LEU 70 1.273 -6.338 0.744 537 HA LEU 70 HA LEU 70 1.154 -6.695 -2.043 538 HG LEU 70 HG LEU 70 3.043 -4.726 -2.949 539 HB2 LEU 70 1HB LEU 70 1.131 -4.537 -0.688 540 HB3 LEU 70 2HB LEU 70 2.857 -4.745 -0.513 541 HD11 LEU 70 1HD1 LEU 70 0.716 -5.248 -3.547 542 HD12 LEU 70 2HD1 LEU 70 1.193 -3.708 -4.255 543 HD13 LEU 70 3HD1 LEU 70 0.179 -3.732 -2.816 544 HD21 LEU 70 3HD2 LEU 70 2.966 -2.331 -3.139 545 HD22 LEU 70 1HD2 LEU 70 3.513 -2.783 -1.528 546 HD23 LEU 70 2HD2 LEU 70 1.848 -2.228 -1.786 547 H ILE 71 H ILE 71 4.018 -6.761 0.128 548 HA ILE 71 HA ILE 71 5.787 -7.321 -2.011 549 HB ILE 71 HB ILE 71 6.160 -7.867 0.957 550 HG12 ILE 71 1HG1 ILE 71 5.830 -5.482 0.430 551 HG13 ILE 71 2HG1 ILE 71 7.460 -5.799 1.004 552 HG21 ILE 71 1HG2 ILE 71 8.573 -7.963 0.490 553 HG22 ILE 71 2HG2 ILE 71 8.235 -7.803 -1.235 554 HG23 ILE 71 3HG2 ILE 71 7.694 -9.235 -0.364 555 HD11 ILE 71 3HD1 ILE 71 8.265 -5.732 -1.307 556 HD12 ILE 71 1HD1 ILE 71 7.477 -4.225 -0.821 557 HD13 ILE 71 2HD1 ILE 71 6.619 -5.375 -1.854 558 H LYS 72 H LYS 72 3.901 -9.428 0.083 559 HA LYS 72 HA LYS 72 5.341 -11.759 -0.850 560 HB2 LYS 72 1HB LYS 72 4.135 -13.039 0.759 561 HB3 LYS 72 2HB LYS 72 4.539 -11.512 1.528 562 HG2 LYS 72 1HG LYS 72 2.247 -10.785 0.706 563 HG3 LYS 72 2HG LYS 72 1.879 -12.513 0.605 564 HD2 LYS 72 1HD LYS 72 2.704 -10.913 3.044 565 HD3 LYS 72 2HD LYS 72 1.129 -11.638 2.751 566 HE2 LYS 72 1HE LYS 72 2.139 -13.850 2.940 567 HE3 LYS 72 2HE LYS 72 3.720 -13.110 3.212 568 HZ1 LYS 72 3HZ LYS 72 2.818 -13.608 5.346 569 HZ2 LYS 72 1HZ LYS 72 1.329 -12.897 4.956 570 HZ3 LYS 72 2HZ LYS 72 2.686 -11.937 5.136 571 H ASN 73 H ASN 73 2.823 -9.990 -2.186 572 HA ASN 73 HA ASN 73 2.267 -12.304 -3.921 573 HB2 ASN 73 1HB ASN 73 0.334 -12.256 -2.410 574 HB3 ASN 73 2HB ASN 73 0.030 -10.577 -2.842 575 HD21 ASN 73 1HD2 ASN 73 -2.124 -10.974 -3.794 576 HD22 ASN 73 2HD2 ASN 73 -2.228 -11.891 -5.226 577 H GLU 74 H GLU 74 1.500 -8.818 -3.586 578 HA GLU 74 HA GLU 74 1.587 -8.793 -6.482 579 HB2 GLU 74 1HB GLU 74 -0.647 -8.301 -5.661 580 HB3 GLU 74 2HB GLU 74 -0.026 -7.000 -4.660 581 HG2 GLU 74 1HG GLU 74 -1.136 -6.239 -6.738 582 HG3 GLU 74 2HG GLU 74 0.536 -5.703 -6.573 583 H LEU 75 H LEU 75 3.690 -8.571 -6.504 584 HA LEU 75 HA LEU 75 4.965 -6.276 -5.324 585 HG LEU 75 HG LEU 75 7.649 -6.366 -6.798 586 HB2 LEU 75 1HB LEU 75 6.028 -8.547 -5.481 587 HB3 LEU 75 2HB LEU 75 6.153 -8.297 -7.210 588 HD11 LEU 75 1HD1 LEU 75 7.479 -7.249 -3.920 589 HD12 LEU 75 2HD1 LEU 75 6.841 -5.742 -4.577 590 HD13 LEU 75 3HD1 LEU 75 8.575 -6.029 -4.568 591 HD21 LEU 75 3HD2 LEU 75 9.580 -7.686 -6.043 592 HD22 LEU 75 1HD2 LEU 75 8.607 -8.559 -7.229 593 HD23 LEU 75 2HD2 LEU 75 8.484 -8.963 -5.518 594 H GLU 76 H GLU 76 3.309 -6.900 -8.257 595 HA GLU 76 HA GLU 76 4.916 -5.324 -10.012 596 HB2 GLU 76 1HB GLU 76 1.980 -6.009 -10.271 597 HB3 GLU 76 2HB GLU 76 3.063 -5.520 -11.561 598 HG2 GLU 76 1HG GLU 76 3.270 -8.074 -9.990 599 HG3 GLU 76 2HG GLU 76 2.564 -7.919 -11.592 600 H ILE 77 H ILE 77 2.083 -4.828 -8.045 601 HA ILE 77 HA ILE 77 1.801 -2.097 -8.839 602 HB ILE 77 HB ILE 77 0.470 -3.640 -6.594 603 HG12 ILE 77 1HG1 ILE 77 -0.471 -2.701 -9.313 604 HG13 ILE 77 2HG1 ILE 77 -0.113 -4.360 -8.824 605 HG21 ILE 77 1HG2 ILE 77 -1.110 -1.753 -6.386 606 HG22 ILE 77 2HG2 ILE 77 -0.107 -0.808 -7.492 607 HG23 ILE 77 3HG2 ILE 77 0.532 -1.303 -5.927 608 HD11 ILE 77 3HD1 ILE 77 -1.995 -4.299 -7.289 609 HD12 ILE 77 1HD1 ILE 77 -2.495 -3.949 -8.944 610 HD13 ILE 77 2HD1 ILE 77 -2.336 -2.635 -7.773 611 H TRP 78 H TRP 78 3.518 -3.750 -6.327 612 HA TRP 78 HA TRP 78 4.186 -1.484 -4.773 613 HD1 TRP 78 HD TRP 78 5.335 -2.087 -1.956 614 HE1 TRP 78 1HE TRP 78 7.633 -1.380 -1.070 615 HE3 TRP 78 3HE TRP 78 8.218 -3.497 -5.937 616 HZ2 TRP 78 2HZ TRP 78 10.307 -1.407 -1.928 617 HZ3 TRP 78 3HZ TRP 78 10.635 -3.111 -5.819 618 HH2 TRP 78 HH TRP 78 11.658 -2.084 -3.868 619 HB2 TRP 78 1HB TRP 78 4.653 -3.794 -3.995 620 HB3 TRP 78 2HB TRP 78 5.835 -3.981 -5.285 621 H LYS 79 H LYS 79 5.629 -2.971 -7.621 622 HA LYS 79 HA LYS 79 7.797 -1.259 -7.995 623 HB2 LYS 79 1HB LYS 79 6.079 -2.696 -10.018 624 HB3 LYS 79 2HB LYS 79 7.548 -1.833 -10.439 625 HG2 LYS 79 1HG LYS 79 8.863 -3.343 -9.089 626 HG3 LYS 79 2HG LYS 79 7.399 -4.151 -8.524 627 HD2 LYS 79 1HD LYS 79 6.911 -4.952 -10.731 628 HD3 LYS 79 2HD LYS 79 8.211 -3.988 -11.422 629 HE2 LYS 79 1HE LYS 79 8.595 -6.222 -9.438 630 HE3 LYS 79 2HE LYS 79 8.773 -6.396 -11.183 631 HZ1 LYS 79 3HZ LYS 79 10.458 -4.738 -9.366 632 HZ2 LYS 79 1HZ LYS 79 10.517 -4.652 -11.059 633 HZ3 LYS 79 2HZ LYS 79 10.898 -6.077 -10.283 634 H GLU 80 H GLU 80 4.427 -0.912 -8.932 635 HA GLU 80 HA GLU 80 4.792 1.470 -10.395 636 HB2 GLU 80 1HB GLU 80 2.304 0.448 -9.038 637 HB3 GLU 80 2HB GLU 80 2.352 1.776 -10.186 638 HG2 GLU 80 1HG GLU 80 3.359 0.133 -11.824 639 HG3 GLU 80 2HG GLU 80 2.912 -1.121 -10.667 640 H LEU 81 H LEU 81 3.921 0.922 -7.000 641 HA LEU 81 HA LEU 81 3.584 3.691 -6.444 642 HG LEU 81 HG LEU 81 2.183 0.895 -5.537 643 HB2 LEU 81 1HB LEU 81 4.277 1.582 -4.345 644 HB3 LEU 81 2HB LEU 81 3.580 3.145 -4.113 645 HD11 LEU 81 1HD1 LEU 81 0.753 0.824 -3.564 646 HD12 LEU 81 2HD1 LEU 81 1.781 2.026 -2.776 647 HD13 LEU 81 3HD1 LEU 81 2.431 0.431 -3.176 648 HD21 LEU 81 3HD2 LEU 81 0.195 2.354 -5.389 649 HD22 LEU 81 1HD2 LEU 81 1.463 3.082 -6.370 650 HD23 LEU 81 2HD2 LEU 81 1.196 3.640 -4.723 651 H THR 82 H THR 82 6.332 1.519 -6.229 652 HA THR 82 HA THR 82 7.988 3.463 -5.034 653 HB THR 82 HB THR 82 9.870 1.939 -5.791 654 HG1 THR 82 1HG THR 82 7.778 0.116 -6.279 655 HG21 THR 82 3HG2 THR 82 9.322 0.242 -4.122 656 HG22 THR 82 1HG2 THR 82 7.646 0.800 -4.116 657 HG23 THR 82 2HG2 THR 82 8.943 1.875 -3.562 658 H ALA 83 H ALA 83 7.362 2.544 -8.377 659 HA ALA 83 HA ALA 83 9.333 4.230 -9.511 660 HB1 ALA 83 3HB ALA 83 6.709 3.352 -10.729 661 HB2 ALA 83 1HB ALA 83 8.094 4.006 -11.603 662 HB3 ALA 83 2HB ALA 83 8.220 2.444 -10.795 663 H HIS 84 H HIS 84 6.299 4.811 -8.143 664 HA HIS 84 HA HIS 84 5.894 7.404 -9.275 665 HD1 HIS 84 1HD HIS 84 2.397 7.718 -9.239 666 HD2 HIS 84 2HD HIS 84 4.367 8.829 -5.752 667 HE1 HIS 84 1HE HIS 84 1.201 9.743 -8.398 668 HE2 HIS 84 2HE HIS 84 2.435 10.419 -6.310 669 HB2 HIS 84 1HB HIS 84 4.027 5.969 -8.448 670 HB3 HIS 84 2HB HIS 84 4.653 6.124 -6.820 671 H PHE 85 H PHE 85 7.460 6.092 -6.388 672 HA PHE 85 HA PHE 85 7.935 8.810 -5.433 673 HD1 PHE 85 1HD PHE 85 7.005 9.397 -2.969 674 HD2 PHE 85 2HD PHE 85 10.426 6.896 -2.667 675 HE1 PHE 85 1HE PHE 85 7.848 10.787 -1.131 676 HE2 PHE 85 2HE PHE 85 11.279 8.283 -0.824 677 HZ PHE 85 HZ PHE 85 9.991 10.229 -0.053 678 HB2 PHE 85 1HB PHE 85 7.085 6.998 -3.878 679 HB3 PHE 85 2HB PHE 85 8.658 6.248 -4.034 680 H ASP 86 H ASP 86 9.995 5.856 -5.613 681 HA ASP 86 HA ASP 86 12.041 7.301 -6.992 682 HB2 ASP 86 1HB ASP 86 12.700 8.060 -4.819 683 HB3 ASP 86 2HB ASP 86 12.565 6.437 -4.143 684 HA PRO 87 HA PRO 87 12.282 2.880 -8.090 685 HB2 PRO 87 1HB PRO 87 12.489 3.294 -10.734 686 HB3 PRO 87 2HB PRO 87 10.931 3.212 -9.915 687 HG2 PRO 87 1HG PRO 87 12.463 5.581 -10.885 688 HG3 PRO 87 2HG PRO 87 10.713 5.323 -10.853 689 HD2 PRO 87 1HD PRO 87 12.130 6.843 -9.031 690 HD3 PRO 87 2HD PRO 87 10.527 6.145 -8.731 691 H ASP 88 H ASP 88 14.315 5.628 -8.578 692 HA ASP 88 HA ASP 88 16.324 3.975 -9.982 693 HB2 ASP 88 1HB ASP 88 15.547 5.702 -11.380 694 HB3 ASP 88 2HB ASP 88 15.711 6.900 -10.107 695 H GLY 89 H GLY 89 15.923 5.930 -7.093 696 HA2 GLY 89 1HA GLY 89 18.770 6.215 -6.760 697 HA3 GLY 89 2HA GLY 89 17.506 6.737 -5.651 698 H LYS 90 H LYS 90 16.703 5.343 -4.196 699 HA LYS 90 HA LYS 90 18.534 3.247 -3.445 700 HB2 LYS 90 1HB LYS 90 16.064 4.369 -2.140 701 HB3 LYS 90 2HB LYS 90 16.795 2.880 -1.569 702 HG2 LYS 90 1HG LYS 90 18.215 5.533 -1.731 703 HG3 LYS 90 2HG LYS 90 17.473 4.867 -0.275 704 HD2 LYS 90 1HD LYS 90 18.949 2.874 -0.503 705 HD3 LYS 90 2HD LYS 90 19.754 3.671 -1.853 706 HE2 LYS 90 1HE LYS 90 20.394 5.510 -0.360 707 HE3 LYS 90 2HE LYS 90 19.603 4.680 0.975 708 HZ1 LYS 90 3HZ LYS 90 21.957 3.672 -0.547 709 HZ2 LYS 90 1HZ LYS 90 21.153 2.823 0.663 710 HZ3 LYS 90 2HZ LYS 90 21.959 4.234 1.030 711 H TRP 91 H TRP 91 15.050 3.294 -3.685 712 HA TRP 91 HA TRP 91 13.455 1.809 -4.221 713 HD1 TRP 91 HD TRP 91 11.756 1.806 -6.285 714 HE1 TRP 91 1HE TRP 91 10.316 -0.076 -7.263 715 HE3 TRP 91 3HE TRP 91 15.411 -1.673 -6.970 716 HZ2 TRP 91 2HZ TRP 91 10.709 -2.718 -8.236 717 HZ3 TRP 91 3HZ TRP 91 14.804 -3.853 -7.928 718 HH2 TRP 91 HH TRP 91 12.504 -4.361 -8.551 719 HB2 TRP 91 1HB TRP 91 14.519 2.158 -6.492 720 HB3 TRP 91 2HB TRP 91 15.424 0.672 -6.221 721 H ARG 92 H ARG 92 16.417 0.036 -4.356 722 HA ARG 92 HA ARG 92 15.519 -2.494 -3.582 723 HE ARG 92 HE ARG 92 18.698 0.087 -5.233 724 HB2 ARG 92 1HB ARG 92 18.208 -1.143 -3.550 725 HB3 ARG 92 2HB ARG 92 17.982 -2.849 -3.168 726 HG2 ARG 92 1HG ARG 92 17.492 -3.392 -5.345 727 HG3 ARG 92 2HG ARG 92 16.835 -1.790 -5.678 728 HD2 ARG 92 1HD ARG 92 19.765 -2.284 -5.227 729 HD3 ARG 92 2HD ARG 92 19.012 -2.371 -6.821 730 HH11 ARG 92 1HH1 ARG 92 20.132 -1.515 -8.078 731 HH12 ARG 92 2HH1 ARG 92 20.468 -0.049 -8.866 732 HH21 ARG 92 1HH2 ARG 92 19.231 2.136 -6.398 733 HH22 ARG 92 2HH2 ARG 92 19.970 1.989 -7.914 734 H LYS 93 H LYS 93 16.844 0.209 -1.686 735 HA LYS 93 HA LYS 93 16.954 -1.107 0.789 736 HB2 LYS 93 1HB LYS 93 17.947 1.154 0.458 737 HB3 LYS 93 2HB LYS 93 16.323 1.833 0.377 738 HG2 LYS 93 1HG LYS 93 15.914 1.063 2.701 739 HG3 LYS 93 2HG LYS 93 17.571 0.474 2.779 740 HD2 LYS 93 1HD LYS 93 18.355 2.799 2.350 741 HD3 LYS 93 2HD LYS 93 16.680 3.332 2.396 742 HE2 LYS 93 1HE LYS 93 18.186 2.028 4.678 743 HE3 LYS 93 2HE LYS 93 17.834 3.742 4.538 744 HZ1 LYS 93 3HZ LYS 93 15.931 1.528 5.175 745 HZ2 LYS 93 1HZ LYS 93 15.389 3.024 4.551 746 HZ3 LYS 93 2HZ LYS 93 16.241 2.961 5.957 747 H LYS 94 H LYS 94 14.305 0.498 -0.842 748 HA LYS 94 HA LYS 94 12.442 0.543 1.281 749 HB2 LYS 94 1HB LYS 94 11.897 0.153 -1.669 750 HB3 LYS 94 2HB LYS 94 10.752 0.742 -0.472 751 HG2 LYS 94 1HG LYS 94 11.998 2.777 -0.209 752 HG3 LYS 94 2HG LYS 94 13.287 2.167 -1.245 753 HD2 LYS 94 1HD LYS 94 11.732 2.069 -3.139 754 HD3 LYS 94 2HD LYS 94 10.441 2.651 -2.096 755 HE2 LYS 94 1HE LYS 94 12.967 4.188 -2.677 756 HE3 LYS 94 2HE LYS 94 11.443 4.414 -3.532 757 HZ1 LYS 94 3HZ LYS 94 11.729 6.029 -1.749 758 HZ2 LYS 94 1HZ LYS 94 11.830 4.803 -0.605 759 HZ3 LYS 94 2HZ LYS 94 10.404 5.018 -1.448 760 H TYR 95 H TYR 95 13.149 -1.774 -1.239 761 HA TYR 95 HA TYR 95 11.226 -3.738 -0.709 762 HD1 TYR 95 1HD TYR 95 10.609 -5.083 -3.037 763 HD2 TYR 95 2HD TYR 95 14.503 -6.296 -1.840 764 HE1 TYR 95 1HE TYR 95 10.114 -7.379 -3.770 765 HE2 TYR 95 2HE TYR 95 14.013 -8.591 -2.563 766 HH TYR 95 HH TYR 95 11.488 -9.354 -4.536 767 HB2 TYR 95 1HB TYR 95 12.572 -3.471 -2.790 768 HB3 TYR 95 2HB TYR 95 13.984 -4.015 -1.913 769 H GLU 96 H GLU 96 14.690 -3.659 0.172 770 HA GLU 96 HA GLU 96 14.563 -6.047 1.699 771 HB2 GLU 96 1HB GLU 96 16.644 -3.877 1.652 772 HB3 GLU 96 2HB GLU 96 16.825 -5.403 2.496 773 HG2 GLU 96 1HG GLU 96 16.618 -6.587 0.353 774 HG3 GLU 96 2HG GLU 96 16.500 -5.031 -0.472 775 H ASP 97 H ASP 97 14.713 -2.649 2.646 776 HA ASP 97 HA ASP 97 15.076 -2.955 5.399 777 HB2 ASP 97 1HB ASP 97 15.342 -0.851 4.065 778 HB3 ASP 97 2HB ASP 97 13.597 -0.724 4.016 779 H ARG 98 H ARG 98 12.071 -2.496 3.565 780 HA ARG 98 HA ARG 98 10.663 -2.759 6.039 781 HE ARG 98 HE ARG 98 9.478 1.576 6.087 782 HB2 ARG 98 1HB ARG 98 9.624 -2.242 3.266 783 HB3 ARG 98 2HB ARG 98 8.584 -2.458 4.675 784 HG2 ARG 98 1HG ARG 98 10.698 -0.325 4.384 785 HG3 ARG 98 2HG ARG 98 8.948 -0.099 4.220 786 HD2 ARG 98 1HD ARG 98 8.605 -0.767 6.522 787 HD3 ARG 98 2HD ARG 98 10.308 -1.126 6.718 788 HH11 ARG 98 1HH1 ARG 98 11.100 -0.751 8.223 789 HH12 ARG 98 2HH1 ARG 98 11.518 0.369 9.417 790 HH21 ARG 98 1HH2 ARG 98 10.041 3.147 7.740 791 HH22 ARG 98 2HH2 ARG 98 10.906 2.656 9.141 792 H ALA 99 H ALA 99 11.328 -4.945 3.453 793 HA ALA 99 HA ALA 99 9.385 -6.836 4.295 794 HB1 ALA 99 3HB ALA 99 10.391 -6.929 2.072 795 HB2 ALA 99 1HB ALA 99 11.967 -7.248 2.792 796 HB3 ALA 99 2HB ALA 99 10.676 -8.438 2.940 797 H LYS 100 H LYS 100 12.858 -6.448 4.973 798 HA LYS 100 HA LYS 100 12.939 -8.761 6.657 799 HB2 LYS 100 1HB LYS 100 14.986 -6.565 6.325 800 HB3 LYS 100 2HB LYS 100 15.256 -8.101 7.131 801 HG2 LYS 100 1HG LYS 100 14.598 -7.746 4.205 802 HG3 LYS 100 2HG LYS 100 16.204 -8.036 4.862 803 HD2 LYS 100 1HD LYS 100 13.861 -9.929 5.148 804 HD3 LYS 100 2HD LYS 100 15.102 -10.061 3.910 805 HE2 LYS 100 1HE LYS 100 16.808 -10.315 5.674 806 HE3 LYS 100 2HE LYS 100 15.545 -10.201 6.899 807 HZ1 LYS 100 3HZ LYS 100 14.554 -12.196 6.028 808 HZ2 LYS 100 1HZ LYS 100 16.157 -12.486 6.437 809 HZ3 LYS 100 2HZ LYS 100 15.747 -12.322 4.819 810 H ALA 101 H ALA 101 12.109 -5.485 7.200 811 HA ALA 101 HA ALA 101 12.789 -5.375 9.975 812 HB1 ALA 101 3HB ALA 101 10.714 -3.778 8.471 813 HB2 ALA 101 1HB ALA 101 11.342 -3.399 10.074 814 HB3 ALA 101 2HB ALA 101 12.408 -3.332 8.669 815 H LYS 102 H LYS 102 10.078 -6.535 8.169 816 HA LYS 102 HA LYS 102 8.590 -7.034 10.623 817 HB2 LYS 102 1HB LYS 102 7.788 -7.126 7.727 818 HB3 LYS 102 2HB LYS 102 6.724 -7.572 9.054 819 HG2 LYS 102 1HG LYS 102 8.031 -4.888 8.776 820 HG3 LYS 102 2HG LYS 102 6.399 -5.261 8.218 821 HD2 LYS 102 1HD LYS 102 5.763 -5.864 10.521 822 HD3 LYS 102 2HD LYS 102 7.400 -5.520 11.070 823 HE2 LYS 102 1HE LYS 102 7.137 -3.184 10.486 824 HE3 LYS 102 2HE LYS 102 5.562 -3.523 9.794 825 HZ1 LYS 102 3HZ LYS 102 6.282 -3.876 12.650 826 HZ2 LYS 102 1HZ LYS 102 4.746 -4.137 11.984 827 HZ3 LYS 102 2HZ LYS 102 5.431 -2.580 12.022 828 H GLY 103 H GLY 103 9.843 -8.745 7.797 829 HA2 GLY 103 1HA GLY 103 10.862 -10.929 8.586 830 HA3 GLY 103 2HA GLY 103 9.270 -11.226 9.269 831 H ILE 104 H ILE 104 9.538 -9.596 6.219 832 HA ILE 104 HA ILE 104 8.282 -11.865 4.931 833 HB ILE 104 HB ILE 104 8.995 -9.111 3.839 834 HG12 ILE 104 1HG1 ILE 104 7.244 -8.814 5.464 835 HG13 ILE 104 2HG1 ILE 104 6.518 -8.725 3.860 836 HG21 ILE 104 1HG2 ILE 104 7.587 -9.633 1.926 837 HG22 ILE 104 2HG2 ILE 104 7.269 -11.233 2.579 838 HG23 ILE 104 3HG2 ILE 104 8.902 -10.802 2.069 839 HD11 ILE 104 3HD1 ILE 104 5.121 -9.981 5.359 840 HD12 ILE 104 1HD1 ILE 104 6.439 -11.114 5.668 841 HD13 ILE 104 2HD1 ILE 104 5.731 -10.998 4.054 842 H VAL 105 H VAL 105 9.405 -13.233 3.702 843 HA VAL 105 HA VAL 105 12.236 -12.659 3.491 844 HB VAL 105 HB VAL 105 11.624 -14.756 4.638 845 HG11 VAL 105 1HG1 VAL 105 10.772 -16.675 3.405 846 HG12 VAL 105 2HG1 VAL 105 9.609 -15.354 3.527 847 HG13 VAL 105 3HG1 VAL 105 10.481 -15.622 2.019 848 HG21 VAL 105 3HG2 VAL 105 13.126 -16.274 3.402 849 HG22 VAL 105 1HG2 VAL 105 13.779 -14.646 3.604 850 HG23 VAL 105 2HG2 VAL 105 13.098 -15.134 2.056 851 H ILE 106 H ILE 106 13.236 -12.398 1.638 852 HA ILE 106 HA ILE 106 11.791 -12.698 -0.882 853 HB ILE 106 HB ILE 106 12.395 -10.427 -1.583 854 HG12 ILE 106 1HG1 ILE 106 14.426 -10.127 -0.112 855 HG13 ILE 106 2HG1 ILE 106 13.386 -8.723 -0.169 856 HG21 ILE 106 1HG2 ILE 106 10.862 -9.090 -0.261 857 HG22 ILE 106 2HG2 ILE 106 10.814 -10.376 0.945 858 HG23 ILE 106 3HG2 ILE 106 10.215 -10.677 -0.686 859 HD11 ILE 106 3HD1 ILE 106 14.226 -9.056 2.046 860 HD12 ILE 106 1HD1 ILE 106 13.606 -10.709 2.078 861 HD13 ILE 106 2HD1 ILE 106 12.486 -9.350 2.022 862 HA PRO 107 HA PRO 107 16.014 -13.494 -2.414 863 HB2 PRO 107 1HB PRO 107 16.141 -11.596 -4.481 864 HB3 PRO 107 2HB PRO 107 15.569 -13.257 -4.675 865 HG2 PRO 107 1HG PRO 107 14.013 -10.740 -4.293 866 HG3 PRO 107 2HG PRO 107 13.635 -12.147 -5.300 867 HD2 PRO 107 1HD PRO 107 12.374 -11.760 -2.990 868 HD3 PRO 107 2HD PRO 107 12.869 -13.384 -3.490 869 H GLU 108 H GLU 108 17.406 -12.714 -0.938 870 HA GLU 108 HA GLU 108 17.654 -9.822 -0.651 871 HB2 GLU 108 1HB GLU 108 18.379 -10.409 1.740 872 HB3 GLU 108 2HB GLU 108 16.675 -10.552 1.334 873 HG2 GLU 108 1HG GLU 108 16.962 -12.972 1.032 874 HG3 GLU 108 2HG GLU 108 18.653 -12.826 1.495 Start of MODEL 4 1 HA TYR 1 HA TYR 1 -21.511 1.857 1.256 2 HD1 TYR 1 1HD TYR 1 -23.994 1.916 0.200 3 HD2 TYR 1 2HD TYR 1 -22.154 -1.618 -1.270 4 HE1 TYR 1 1HE TYR 1 -25.111 2.242 -1.971 5 HE2 TYR 1 2HE TYR 1 -23.249 -1.299 -3.434 6 HH TYR 1 HH TYR 1 -24.878 1.597 -4.272 7 H1 TYR 1 1HT TYR 1 -20.383 0.958 -0.648 8 H2 TYR 1 2HT TYR 1 -19.640 -0.221 0.326 9 H3 TYR 1 3HT TYR 1 -19.339 1.423 0.595 10 HB2 TYR 1 1HB TYR 1 -21.995 -1.125 0.979 11 HB3 TYR 1 2HB TYR 1 -23.091 0.014 1.720 12 H THR 2 H THR 2 -20.599 -1.445 2.398 13 HA THR 2 HA THR 2 -20.367 -0.254 5.060 14 HB THR 2 HB THR 2 -20.686 -2.679 5.774 15 HG1 THR 2 1HG THR 2 -20.344 -3.803 3.868 16 HG21 THR 2 3HG2 THR 2 -22.908 -1.309 4.241 17 HG22 THR 2 1HG2 THR 2 -22.435 -0.948 5.901 18 HG23 THR 2 2HG2 THR 2 -23.110 -2.524 5.504 19 H ASP 3 H ASP 3 -18.664 -2.219 2.725 20 HA ASP 3 HA ASP 3 -16.218 -2.122 4.149 21 HB2 ASP 3 1HB ASP 3 -15.986 -4.500 4.578 22 HB3 ASP 3 2HB ASP 3 -17.438 -3.936 5.397 23 H LYS 4 H LYS 4 -14.612 -3.107 2.887 24 HA LYS 4 HA LYS 4 -13.485 -3.508 1.054 25 HB2 LYS 4 1HB LYS 4 -16.018 -4.799 0.094 26 HB3 LYS 4 2HB LYS 4 -14.501 -4.866 -0.804 27 HG2 LYS 4 1HG LYS 4 -13.416 -5.965 1.005 28 HG3 LYS 4 2HG LYS 4 -14.848 -5.776 2.018 29 HD2 LYS 4 1HD LYS 4 -16.097 -7.129 0.358 30 HD3 LYS 4 2HD LYS 4 -14.555 -7.406 -0.464 31 HE2 LYS 4 1HE LYS 4 -15.274 -9.210 1.202 32 HE3 LYS 4 2HE LYS 4 -13.643 -8.560 1.379 33 HZ1 LYS 4 3HZ LYS 4 -15.004 -8.765 3.489 34 HZ2 LYS 4 1HZ LYS 4 -15.925 -7.452 2.955 35 HZ3 LYS 4 2HZ LYS 4 -14.245 -7.315 3.225 36 H TYR 5 H TYR 5 -12.878 -2.767 -0.923 37 HA TYR 5 HA TYR 5 -12.349 -1.068 -2.215 38 HD1 TYR 5 2HD TYR 5 -16.323 0.643 -2.749 39 HD2 TYR 5 1HD TYR 5 -15.483 -3.456 -3.516 40 HE1 TYR 5 2HE TYR 5 -18.679 0.116 -2.443 41 HE2 TYR 5 1HE TYR 5 -17.871 -3.994 -3.210 42 HH TYR 5 HH TYR 5 -20.262 -1.613 -3.136 43 HB2 TYR 5 1HB TYR 5 -14.170 -0.036 -3.725 44 HB3 TYR 5 2HB TYR 5 -13.784 -1.663 -4.032 45 H ASP 6 H ASP 6 -15.169 -0.177 -0.675 46 HA ASP 6 HA ASP 6 -15.362 2.538 -0.737 47 HB2 ASP 6 1HB ASP 6 -16.996 0.847 0.030 48 HB3 ASP 6 2HB ASP 6 -16.035 0.591 1.464 49 H LYS 7 H LYS 7 -14.001 0.521 1.837 50 HA LYS 7 HA LYS 7 -12.691 2.909 2.753 51 HB2 LYS 7 1HB LYS 7 -13.558 2.565 5.100 52 HB3 LYS 7 2HB LYS 7 -14.774 2.925 3.884 53 HG2 LYS 7 1HG LYS 7 -15.454 0.647 3.794 54 HG3 LYS 7 2HG LYS 7 -14.183 0.187 4.932 55 HD2 LYS 7 1HD LYS 7 -16.137 0.328 6.236 56 HD3 LYS 7 2HD LYS 7 -15.275 1.823 6.562 57 HE2 LYS 7 1HE LYS 7 -17.636 1.499 4.683 58 HE3 LYS 7 2HE LYS 7 -17.717 2.161 6.305 59 HZ1 LYS 7 3HZ LYS 7 -16.142 3.993 5.384 60 HZ2 LYS 7 1HZ LYS 7 -17.727 3.958 4.805 61 HZ3 LYS 7 2HZ LYS 7 -16.553 3.337 3.863 62 H ILE 8 H ILE 8 -12.307 1.335 5.399 63 HA ILE 8 HA ILE 8 -9.595 0.718 5.286 64 HB ILE 8 HB ILE 8 -10.025 -0.355 7.498 65 HG12 ILE 8 1HG1 ILE 8 -12.889 0.470 6.982 66 HG13 ILE 8 2HG1 ILE 8 -12.332 -1.189 6.846 67 HG21 ILE 8 1HG2 ILE 8 -11.247 2.362 7.025 68 HG22 ILE 8 2HG2 ILE 8 -9.541 2.026 7.317 69 HG23 ILE 8 3HG2 ILE 8 -10.728 1.735 8.590 70 HD11 ILE 8 3HD1 ILE 8 -13.440 -0.795 8.974 71 HD12 ILE 8 1HD1 ILE 8 -12.341 0.541 9.326 72 HD13 ILE 8 2HD1 ILE 8 -11.728 -1.109 9.242 73 H ASN 9 H ASN 9 -10.798 -0.957 3.304 74 HA ASN 9 HA ASN 9 -10.587 -3.672 4.418 75 HB2 ASN 9 1HB ASN 9 -11.704 -4.474 2.498 76 HB3 ASN 9 2HB ASN 9 -12.493 -2.950 2.855 77 HD21 ASN 9 1HD2 ASN 9 -10.676 -1.044 1.573 78 HD22 ASN 9 2HD2 ASN 9 -10.641 -1.564 -0.071 79 H LEU 10 H LEU 10 -8.387 -1.952 4.109 80 HA LEU 10 HA LEU 10 -6.726 -1.919 1.915 81 HG LEU 10 HG LEU 10 -7.511 -0.411 4.381 82 HB2 LEU 10 1HB LEU 10 -5.778 -2.373 4.733 83 HB3 LEU 10 2HB LEU 10 -4.940 -1.583 3.427 84 HD11 LEU 10 1HD1 LEU 10 -6.241 0.900 5.975 85 HD12 LEU 10 2HD1 LEU 10 -4.784 -0.029 5.587 86 HD13 LEU 10 3HD1 LEU 10 -6.145 -0.816 6.366 87 HD21 LEU 10 3HD2 LEU 10 -6.541 0.428 2.359 88 HD22 LEU 10 1HD2 LEU 10 -4.977 0.653 3.165 89 HD23 LEU 10 2HD2 LEU 10 -6.373 1.619 3.664 90 H GLN 11 H GLN 11 -6.784 -4.350 4.464 91 HA GLN 11 HA GLN 11 -4.693 -5.847 3.267 92 HB2 GLN 11 1HB GLN 11 -5.056 -5.622 5.717 93 HB3 GLN 11 2HB GLN 11 -6.492 -6.616 5.548 94 HG2 GLN 11 1HG GLN 11 -4.519 -7.836 6.372 95 HG3 GLN 11 2HG GLN 11 -5.205 -8.497 4.890 96 HE21 GLN 11 1HE2 GLN 11 -3.217 -5.558 4.757 97 HE22 GLN 11 2HE2 GLN 11 -1.853 -6.292 4.070 98 H GLU 12 H GLU 12 -8.176 -5.895 3.031 99 HA GLU 12 HA GLU 12 -8.303 -8.635 2.183 100 HB2 GLU 12 1HB GLU 12 -10.362 -6.428 1.871 101 HB3 GLU 12 2HB GLU 12 -10.654 -8.143 1.642 102 HG2 GLU 12 1HG GLU 12 -9.990 -8.417 4.087 103 HG3 GLU 12 2HG GLU 12 -10.124 -6.664 4.199 104 H ILE 13 H ILE 13 -7.663 -5.565 0.928 105 HA ILE 13 HA ILE 13 -8.119 -6.069 -1.827 106 HB ILE 13 HB ILE 13 -6.192 -4.132 -0.557 107 HG12 ILE 13 1HG1 ILE 13 -8.395 -3.464 0.147 108 HG13 ILE 13 2HG1 ILE 13 -7.916 -2.454 -1.223 109 HG21 ILE 13 1HG2 ILE 13 -7.284 -4.312 -3.313 110 HG22 ILE 13 2HG2 ILE 13 -5.607 -4.622 -2.830 111 HG23 ILE 13 3HG2 ILE 13 -6.282 -2.986 -2.722 112 HD11 ILE 13 3HD1 ILE 13 -10.175 -3.034 -1.452 113 HD12 ILE 13 1HD1 ILE 13 -9.785 -4.744 -1.300 114 HD13 ILE 13 2HD1 ILE 13 -9.221 -3.833 -2.707 115 H LEU 14 H LEU 14 -5.106 -5.677 -0.074 116 HA LEU 14 HA LEU 14 -3.290 -6.502 -1.909 117 HG LEU 14 HG LEU 14 -1.296 -5.268 -0.513 118 HB2 LEU 14 1HB LEU 14 -3.364 -6.796 1.053 119 HB3 LEU 14 2HB LEU 14 -2.049 -7.424 0.090 120 HD11 LEU 14 1HD1 LEU 14 -2.458 -3.203 0.049 121 HD12 LEU 14 2HD1 LEU 14 -3.802 -4.124 0.725 122 HD13 LEU 14 3HD1 LEU 14 -3.469 -4.198 -1.003 123 HD21 LEU 14 3HD2 LEU 14 -0.782 -5.988 1.753 124 HD22 LEU 14 1HD2 LEU 14 -2.230 -5.181 2.333 125 HD23 LEU 14 2HD2 LEU 14 -0.928 -4.250 1.607 126 H GLU 15 H GLU 15 -5.272 -8.542 0.083 127 HA GLU 15 HA GLU 15 -3.810 -10.888 -0.513 128 HB2 GLU 15 1HB GLU 15 -4.843 -10.597 1.589 129 HB3 GLU 15 2HB GLU 15 -6.439 -10.420 0.871 130 HG2 GLU 15 1HG GLU 15 -6.427 -12.750 0.213 131 HG3 GLU 15 2HG GLU 15 -4.766 -12.925 0.788 132 H ASN 16 H ASN 16 -6.187 -9.220 -2.351 133 HA ASN 16 HA ASN 16 -6.642 -11.610 -4.036 134 HB2 ASN 16 1HB ASN 16 -8.854 -9.750 -3.155 135 HB3 ASN 16 2HB ASN 16 -9.015 -11.123 -4.233 136 HD21 ASN 16 1HD2 ASN 16 -8.742 -10.047 -0.950 137 HD22 ASN 16 2HD2 ASN 16 -9.105 -11.584 -0.246 138 H LYS 17 H LYS 17 -5.952 -10.945 -6.064 139 HA LYS 17 HA LYS 17 -5.663 -8.358 -6.915 140 HB2 LYS 17 1HB LYS 17 -5.682 -9.130 -9.280 141 HB3 LYS 17 2HB LYS 17 -4.596 -10.021 -8.241 142 HG2 LYS 17 1HG LYS 17 -7.324 -11.045 -8.990 143 HG3 LYS 17 2HG LYS 17 -5.909 -11.305 -10.004 144 HD2 LYS 17 1HD LYS 17 -4.769 -12.411 -8.130 145 HD3 LYS 17 2HD LYS 17 -6.208 -12.204 -7.133 146 HE2 LYS 17 1HE LYS 17 -7.463 -13.620 -8.656 147 HE3 LYS 17 2HE LYS 17 -6.042 -13.806 -9.683 148 HZ1 LYS 17 3HZ LYS 17 -6.276 -15.697 -8.210 149 HZ2 LYS 17 1HZ LYS 17 -6.266 -14.696 -6.850 150 HZ3 LYS 17 2HZ LYS 17 -4.896 -14.830 -7.810 151 H ARG 18 H ARG 18 -8.666 -10.191 -7.134 152 HA ARG 18 HA ARG 18 -9.990 -8.225 -8.685 153 HE ARG 18 HE ARG 18 -11.948 -12.175 -4.607 154 HB2 ARG 18 1HB ARG 18 -12.102 -9.275 -7.989 155 HB3 ARG 18 2HB ARG 18 -10.931 -10.474 -8.501 156 HG2 ARG 18 1HG ARG 18 -10.447 -10.839 -6.019 157 HG3 ARG 18 2HG ARG 18 -11.843 -9.818 -5.728 158 HD2 ARG 18 1HD ARG 18 -13.310 -11.308 -6.874 159 HD3 ARG 18 2HD ARG 18 -11.956 -12.300 -7.416 160 HH11 ARG 18 1HH1 ARG 18 -13.863 -13.622 -7.219 161 HH12 ARG 18 2HH1 ARG 18 -14.366 -14.937 -6.257 162 HH21 ARG 18 1HH2 ARG 18 -12.623 -13.982 -3.362 163 HH22 ARG 18 2HH2 ARG 18 -13.645 -15.165 -4.048 164 H LEU 19 H LEU 19 -9.292 -8.418 -5.297 165 HA LEU 19 HA LEU 19 -11.023 -6.211 -4.759 166 HG LEU 19 HG LEU 19 -11.055 -8.014 -1.473 167 HB2 LEU 19 1HB LEU 19 -9.172 -7.780 -2.959 168 HB3 LEU 19 2HB LEU 19 -9.780 -6.197 -2.535 169 HD11 LEU 19 1HD1 LEU 19 -12.032 -5.838 -1.745 170 HD12 LEU 19 2HD1 LEU 19 -13.257 -7.090 -1.972 171 HD13 LEU 19 3HD1 LEU 19 -12.585 -6.256 -3.368 172 HD21 LEU 19 3HD2 LEU 19 -11.022 -9.647 -3.323 173 HD22 LEU 19 1HD2 LEU 19 -12.040 -8.551 -4.258 174 HD23 LEU 19 2HD2 LEU 19 -12.663 -9.287 -2.777 175 H LEU 20 H LEU 20 -7.670 -6.724 -5.552 176 HA LEU 20 HA LEU 20 -6.672 -4.108 -5.072 177 HG LEU 20 HG LEU 20 -4.160 -4.671 -5.316 178 HB2 LEU 20 1HB LEU 20 -6.036 -6.249 -7.071 179 HB3 LEU 20 2HB LEU 20 -5.487 -4.627 -7.450 180 HD11 LEU 20 1HD1 LEU 20 -3.726 -6.780 -4.221 181 HD12 LEU 20 2HD1 LEU 20 -4.900 -7.581 -5.248 182 HD13 LEU 20 3HD1 LEU 20 -5.429 -6.358 -4.100 183 HD21 LEU 20 3HD2 LEU 20 -3.583 -6.850 -7.298 184 HD22 LEU 20 1HD2 LEU 20 -2.435 -6.168 -6.148 185 HD23 LEU 20 2HD2 LEU 20 -3.112 -5.151 -7.417 186 H GLU 21 H GLU 21 -8.256 -5.500 -7.794 187 HA GLU 21 HA GLU 21 -8.782 -3.308 -9.362 188 HB2 GLU 21 1HB GLU 21 -10.308 -5.825 -8.850 189 HB3 GLU 21 2HB GLU 21 -10.779 -4.681 -10.086 190 HG2 GLU 21 1HG GLU 21 -8.130 -6.080 -9.910 191 HG3 GLU 21 2HG GLU 21 -9.442 -6.562 -10.980 192 H SER 22 H SER 22 -10.429 -4.351 -6.402 193 HA SER 22 HA SER 22 -12.707 -2.737 -6.870 194 HG SER 22 HG SER 22 -12.306 -5.339 -6.376 195 HB2 SER 22 1HB SER 22 -11.930 -4.083 -4.210 196 HB3 SER 22 2HB SER 22 -13.492 -3.456 -4.700 197 H TYR 23 H TYR 23 -9.904 -2.266 -4.547 198 HA TYR 23 HA TYR 23 -11.043 0.401 -4.273 199 HD1 TYR 23 1HD TYR 23 -7.480 -0.947 -4.195 200 HD2 TYR 23 2HD TYR 23 -8.448 0.317 -0.242 201 HE1 TYR 23 1HE TYR 23 -5.114 -1.166 -3.537 202 HE2 TYR 23 2HE TYR 23 -6.069 0.098 0.431 203 HH TYR 23 HH TYR 23 -3.592 -0.271 -1.836 204 HB2 TYR 23 1HB TYR 23 -9.878 0.903 -2.328 205 HB3 TYR 23 2HB TYR 23 -10.276 -0.753 -2.046 206 H MET 24 H MET 24 -9.358 -0.758 -6.491 207 HA MET 24 HA MET 24 -7.240 1.003 -6.811 208 HB2 MET 24 1HB MET 24 -8.697 -0.668 -8.751 209 HB3 MET 24 2HB MET 24 -7.796 0.693 -9.409 210 HG2 MET 24 1HG MET 24 -6.686 -1.489 -7.663 211 HG3 MET 24 2HG MET 24 -6.422 -1.308 -9.397 212 HE1 MET 24 3HE MET 24 -2.929 -0.433 -7.859 213 HE2 MET 24 1HE MET 24 -4.073 -1.627 -7.246 214 HE3 MET 24 2HE MET 24 -3.807 -1.471 -8.982 215 H ASP 25 H ASP 25 -10.505 1.752 -6.982 216 HA ASP 25 HA ASP 25 -10.592 4.027 -8.603 217 HB2 ASP 25 1HB ASP 25 -12.574 3.278 -7.644 218 HB3 ASP 25 2HB ASP 25 -11.938 3.390 -6.013 219 H CYS 26 H CYS 26 -9.925 3.795 -5.178 220 HA CYS 26 HA CYS 26 -9.337 6.554 -5.031 221 HB2 CYS 26 1HB CYS 26 -8.882 5.890 -2.593 222 HB3 CYS 26 2HB CYS 26 -10.512 5.741 -3.277 223 H VAL 27 H VAL 27 -7.464 3.611 -5.250 224 HA VAL 27 HA VAL 27 -5.050 5.046 -4.616 225 HB VAL 27 HB VAL 27 -5.404 2.232 -5.678 226 HG11 VAL 27 1HG1 VAL 27 -2.922 3.575 -4.586 227 HG12 VAL 27 2HG1 VAL 27 -3.067 1.869 -5.006 228 HG13 VAL 27 3HG1 VAL 27 -3.188 3.099 -6.264 229 HG21 VAL 27 3HG2 VAL 27 -4.815 3.270 -2.908 230 HG22 VAL 27 1HG2 VAL 27 -4.888 1.571 -3.373 231 HG23 VAL 27 2HG2 VAL 27 -6.339 2.575 -3.455 232 H LEU 28 H LEU 28 -6.256 3.533 -7.680 233 HA LEU 28 HA LEU 28 -4.209 5.102 -9.083 234 HG LEU 28 HG LEU 28 -4.797 4.052 -11.914 235 HB2 LEU 28 1HB LEU 28 -4.198 2.633 -9.325 236 HB3 LEU 28 2HB LEU 28 -5.783 2.730 -10.063 237 HD11 LEU 28 1HD1 LEU 28 -2.892 5.006 -10.764 238 HD12 LEU 28 2HD1 LEU 28 -2.353 4.081 -12.168 239 HD13 LEU 28 3HD1 LEU 28 -2.194 3.402 -10.545 240 HD21 LEU 28 3HD2 LEU 28 -5.109 1.646 -12.125 241 HD22 LEU 28 1HD2 LEU 28 -3.521 1.370 -11.406 242 HD23 LEU 28 2HD2 LEU 28 -3.652 2.166 -12.978 243 H GLY 29 H GLY 29 -7.631 4.505 -8.927 244 HA2 GLY 29 1HA GLY 29 -9.177 6.255 -9.558 245 HA3 GLY 29 2HA GLY 29 -8.109 6.637 -10.908 246 H LYS 30 H LYS 30 -9.491 3.556 -9.715 247 HA LYS 30 HA LYS 30 -10.567 3.181 -12.433 248 HB2 LYS 30 1HB LYS 30 -9.577 0.970 -10.657 249 HB3 LYS 30 2HB LYS 30 -10.210 0.780 -12.284 250 HG2 LYS 30 1HG LYS 30 -8.259 2.458 -12.861 251 HG3 LYS 30 2HG LYS 30 -7.600 1.847 -11.344 252 HD2 LYS 30 1HD LYS 30 -8.342 0.214 -13.793 253 HD3 LYS 30 2HD LYS 30 -6.715 0.563 -13.234 254 HE2 LYS 30 1HE LYS 30 -7.138 -0.749 -11.212 255 HE3 LYS 30 2HE LYS 30 -8.780 -1.077 -11.762 256 HZ1 LYS 30 3HZ LYS 30 -7.366 -2.943 -12.288 257 HZ2 LYS 30 1HZ LYS 30 -6.272 -1.939 -13.096 258 HZ3 LYS 30 2HZ LYS 30 -7.818 -2.177 -13.719 259 H GLY 31 H GLY 31 -11.141 1.355 -9.389 260 HA2 GLY 31 1HA GLY 31 -13.874 0.813 -10.150 261 HA3 GLY 31 2HA GLY 31 -13.095 0.303 -8.663 262 H LYS 32 H LYS 32 -14.264 1.039 -6.919 263 HA LYS 32 HA LYS 32 -14.768 3.864 -6.789 264 HB2 LYS 32 1HB LYS 32 -17.187 3.608 -6.184 265 HB3 LYS 32 2HB LYS 32 -16.800 3.287 -7.867 266 HG2 LYS 32 1HG LYS 32 -16.950 0.892 -7.471 267 HG3 LYS 32 2HG LYS 32 -17.237 1.178 -5.756 268 HD2 LYS 32 1HD LYS 32 -19.327 0.699 -6.900 269 HD3 LYS 32 2HD LYS 32 -19.319 2.355 -6.299 270 HE2 LYS 32 1HE LYS 32 -20.276 2.288 -8.523 271 HE3 LYS 32 2HE LYS 32 -18.741 3.142 -8.574 272 HZ1 LYS 32 3HZ LYS 32 -17.716 1.091 -9.451 273 HZ2 LYS 32 1HZ LYS 32 -18.950 1.645 -10.429 274 HZ3 LYS 32 2HZ LYS 32 -19.202 0.321 -9.437 275 H CYS 33 H CYS 33 -13.817 4.367 -4.967 276 HA CYS 33 HA CYS 33 -14.439 2.861 -2.511 277 HB2 CYS 33 1HB CYS 33 -12.364 5.062 -2.802 278 HB3 CYS 33 2HB CYS 33 -12.502 3.825 -1.549 279 H THR 34 H THR 34 -14.336 4.778 -0.523 280 HA THR 34 HA THR 34 -16.084 6.932 -1.410 281 HB THR 34 HB THR 34 -16.293 7.181 1.170 282 HG1 THR 34 1HG THR 34 -15.979 4.621 1.747 283 HG21 THR 34 3HG2 THR 34 -18.112 6.386 -0.273 284 HG22 THR 34 1HG2 THR 34 -18.071 5.484 1.244 285 HG23 THR 34 2HG2 THR 34 -17.431 4.759 -0.231 286 HA PRO 35 HA PRO 35 -13.071 10.181 -0.685 287 HB2 PRO 35 1HB PRO 35 -14.405 11.636 1.337 288 HB3 PRO 35 2HB PRO 35 -14.491 11.931 -0.401 289 HG2 PRO 35 1HG PRO 35 -16.373 10.450 1.362 290 HG3 PRO 35 2HG PRO 35 -16.709 11.418 -0.083 291 HD2 PRO 35 1HD PRO 35 -16.797 8.750 -0.139 292 HD3 PRO 35 2HD PRO 35 -16.172 9.678 -1.517 293 H GLU 36 H GLU 36 -14.559 9.025 2.378 294 HA GLU 36 HA GLU 36 -12.431 9.614 4.112 295 HB2 GLU 36 1HB GLU 36 -13.409 8.002 5.661 296 HB3 GLU 36 2HB GLU 36 -14.712 8.866 4.863 297 HG2 GLU 36 1HG GLU 36 -15.054 6.974 3.349 298 HG3 GLU 36 2HG GLU 36 -13.700 6.149 4.128 299 H GLY 37 H GLY 37 -13.024 6.967 1.974 300 HA2 GLY 37 1HA GLY 37 -10.994 5.225 2.843 301 HA3 GLY 37 2HA GLY 37 -11.812 5.184 1.288 302 H LYS 38 H LYS 38 -11.190 7.691 0.317 303 HA LYS 38 HA LYS 38 -8.652 7.169 -0.748 304 HB2 LYS 38 1HB LYS 38 -10.124 9.813 -0.814 305 HB3 LYS 38 2HB LYS 38 -8.802 9.328 -1.868 306 HG2 LYS 38 1HG LYS 38 -10.345 7.367 -2.471 307 HG3 LYS 38 2HG LYS 38 -11.628 8.377 -1.821 308 HD2 LYS 38 1HD LYS 38 -9.741 9.124 -4.058 309 HD3 LYS 38 2HD LYS 38 -11.416 8.614 -4.254 310 HE2 LYS 38 1HE LYS 38 -12.132 10.564 -2.961 311 HE3 LYS 38 2HE LYS 38 -10.446 11.061 -2.812 312 HZ1 LYS 38 3HZ LYS 38 -10.322 11.310 -5.190 313 HZ2 LYS 38 1HZ LYS 38 -11.585 12.233 -4.586 314 HZ3 LYS 38 2HZ LYS 38 -11.906 10.784 -5.390 315 H GLU 39 H GLU 39 -9.651 9.014 2.045 316 HA GLU 39 HA GLU 39 -7.240 10.525 2.206 317 HB2 GLU 39 1HB GLU 39 -9.266 9.900 4.345 318 HB3 GLU 39 2HB GLU 39 -8.034 11.146 4.411 319 HG2 GLU 39 1HG GLU 39 -9.162 12.298 2.554 320 HG3 GLU 39 2HG GLU 39 -10.420 11.061 2.592 321 H LEU 40 H LEU 40 -8.671 7.710 3.803 322 HA LEU 40 HA LEU 40 -6.538 7.359 5.576 323 HG LEU 40 HG LEU 40 -8.791 5.053 3.605 324 HB2 LEU 40 1HB LEU 40 -7.645 5.459 6.332 325 HB3 LEU 40 2HB LEU 40 -8.905 6.523 5.805 326 HD11 LEU 40 1HD1 LEU 40 -6.897 3.693 4.298 327 HD12 LEU 40 2HD1 LEU 40 -8.332 2.705 4.070 328 HD13 LEU 40 3HD1 LEU 40 -7.797 3.120 5.702 329 HD21 LEU 40 3HD2 LEU 40 -10.538 3.608 4.543 330 HD22 LEU 40 1HD2 LEU 40 -10.760 5.303 4.981 331 HD23 LEU 40 2HD2 LEU 40 -10.104 4.165 6.158 332 H LYS 41 H LYS 41 -7.162 5.964 2.398 333 HA LYS 41 HA LYS 41 -4.989 4.107 2.547 334 HB2 LYS 41 1HB LYS 41 -6.586 5.056 0.178 335 HB3 LYS 41 2HB LYS 41 -5.495 3.671 0.206 336 HG2 LYS 41 1HG LYS 41 -6.872 2.427 1.535 337 HG3 LYS 41 2HG LYS 41 -7.708 3.847 2.164 338 HD2 LYS 41 1HD LYS 41 -8.608 4.207 -0.118 339 HD3 LYS 41 2HD LYS 41 -7.930 2.635 -0.555 340 HE2 LYS 41 1HE LYS 41 -9.306 1.533 1.080 341 HE3 LYS 41 2HE LYS 41 -9.824 3.083 1.729 342 HZ1 LYS 41 3HZ LYS 41 -11.475 2.034 0.215 343 HZ2 LYS 41 1HZ LYS 41 -10.389 2.217 -1.046 344 HZ3 LYS 41 2HZ LYS 41 -10.998 3.561 -0.259 345 H ASP 42 H ASP 42 -5.407 7.368 1.300 346 HA ASP 42 HA ASP 42 -3.063 7.545 -0.232 347 HB2 ASP 42 1HB ASP 42 -4.868 9.296 -0.156 348 HB3 ASP 42 2HB ASP 42 -4.329 9.726 1.457 349 H HIS 43 H HIS 43 -3.728 8.176 3.134 350 HA HIS 43 HA HIS 43 -1.029 8.884 3.779 351 HD1 HIS 43 1HD HIS 43 -5.046 10.054 5.508 352 HD2 HIS 43 2HD HIS 43 -1.203 11.440 4.759 353 HE1 HIS 43 1HE HIS 43 -5.276 12.502 5.140 354 HE2 HIS 43 2HE HIS 43 -3.054 13.103 4.180 355 HB2 HIS 43 1HB HIS 43 -3.354 8.225 5.599 356 HB3 HIS 43 2HB HIS 43 -1.792 8.792 6.163 357 H LEU 44 H LEU 44 -2.939 5.926 4.158 358 HA LEU 44 HA LEU 44 -0.889 4.683 5.705 359 HG LEU 44 HG LEU 44 -1.537 2.375 6.576 360 HB2 LEU 44 1HB LEU 44 -3.280 4.302 6.097 361 HB3 LEU 44 2HB LEU 44 -3.407 3.524 4.540 362 HD11 LEU 44 1HD1 LEU 44 -3.600 2.774 7.802 363 HD12 LEU 44 2HD1 LEU 44 -3.457 1.049 7.420 364 HD13 LEU 44 3HD1 LEU 44 -4.526 2.079 6.480 365 HD21 LEU 44 3HD2 LEU 44 -3.321 1.185 4.418 366 HD22 LEU 44 1HD2 LEU 44 -2.237 0.281 5.480 367 HD23 LEU 44 2HD2 LEU 44 -1.592 1.433 4.312 368 H GLN 45 H GLN 45 -2.062 4.126 2.347 369 HA GLN 45 HA GLN 45 -0.009 2.262 1.902 370 HB2 GLN 45 1HB GLN 45 -2.058 3.542 0.195 371 HB3 GLN 45 2HB GLN 45 -0.598 3.057 -0.650 372 HG2 GLN 45 1HG GLN 45 -2.370 1.332 -0.755 373 HG3 GLN 45 2HG GLN 45 -0.911 0.746 0.018 374 HE21 GLN 45 1HE2 GLN 45 -2.115 -0.981 0.992 375 HE22 GLN 45 2HE2 GLN 45 -3.096 -0.724 2.360 376 H GLU 46 H GLU 46 -0.022 5.756 1.754 377 HA GLU 46 HA GLU 46 2.527 6.067 0.500 378 HB2 GLU 46 1HB GLU 46 1.028 7.986 0.967 379 HB3 GLU 46 2HB GLU 46 1.238 7.717 2.687 380 HG2 GLU 46 1HG GLU 46 3.642 8.187 2.429 381 HG3 GLU 46 2HG GLU 46 3.356 8.563 0.728 382 H ALA 47 H ALA 47 1.508 5.353 3.751 383 HA ALA 47 HA ALA 47 4.047 5.520 4.916 384 HB1 ALA 47 3HB ALA 47 3.074 4.311 6.798 385 HB2 ALA 47 1HB ALA 47 1.975 5.576 6.224 386 HB3 ALA 47 2HB ALA 47 1.675 3.887 5.805 387 H LEU 48 H LEU 48 2.395 3.083 3.191 388 HA LEU 48 HA LEU 48 4.119 0.895 3.673 389 HG LEU 48 HG LEU 48 3.620 -1.051 1.605 390 HB2 LEU 48 1HB LEU 48 1.908 0.455 2.912 391 HB3 LEU 48 2HB LEU 48 2.061 1.560 1.578 392 HD11 LEU 48 1HD1 LEU 48 1.278 -1.574 1.955 393 HD12 LEU 48 2HD1 LEU 48 1.765 -1.991 0.313 394 HD13 LEU 48 3HD1 LEU 48 0.825 -0.525 0.612 395 HD21 LEU 48 3HD2 LEU 48 3.483 -0.808 -0.813 396 HD22 LEU 48 1HD2 LEU 48 4.206 0.632 -0.102 397 HD23 LEU 48 2HD2 LEU 48 2.525 0.661 -0.634 398 H GLU 49 H GLU 49 3.864 3.103 0.887 399 HA GLU 49 HA GLU 49 6.201 1.894 -0.332 400 HB2 GLU 49 1HB GLU 49 4.136 2.560 -1.599 401 HB3 GLU 49 2HB GLU 49 4.543 4.234 -1.292 402 HG2 GLU 49 1HG GLU 49 6.237 2.289 -2.837 403 HG3 GLU 49 2HG GLU 49 5.135 3.445 -3.575 404 H THR 50 H THR 50 5.288 5.251 0.207 405 HA THR 50 HA THR 50 7.818 6.310 -0.135 406 HB THR 50 HB THR 50 5.473 7.441 1.395 407 HG1 THR 50 1HG THR 50 5.948 6.860 -1.297 408 HG21 THR 50 3HG2 THR 50 7.660 8.803 -0.215 409 HG22 THR 50 1HG2 THR 50 7.561 8.772 1.547 410 HG23 THR 50 2HG2 THR 50 6.326 9.608 0.614 411 H GLY 51 H GLY 51 6.254 4.923 2.568 412 HA2 GLY 51 1HA GLY 51 7.358 3.947 4.373 413 HA3 GLY 51 2HA GLY 51 8.776 4.911 3.984 414 H CYS 52 H CYS 52 5.737 4.849 5.580 415 HA CYS 52 HA CYS 52 6.783 7.038 7.185 416 HB2 CYS 52 1HB CYS 52 5.008 8.054 5.832 417 HB3 CYS 52 2HB CYS 52 3.871 6.822 6.369 418 H GLU 53 H GLU 53 7.572 5.519 8.561 419 HA GLU 53 HA GLU 53 5.730 3.749 9.948 420 HB2 GLU 53 1HB GLU 53 7.713 2.880 11.019 421 HB3 GLU 53 2HB GLU 53 8.097 3.123 9.327 422 HG2 GLU 53 1HG GLU 53 8.938 5.468 10.288 423 HG3 GLU 53 2HG GLU 53 9.124 4.477 11.731 424 H LYS 54 H LYS 54 6.738 6.872 10.065 425 HA LYS 54 HA LYS 54 6.532 7.336 12.916 426 HB2 LYS 54 1HB LYS 54 6.965 9.685 12.286 427 HB3 LYS 54 2HB LYS 54 8.204 8.581 11.695 428 HG2 LYS 54 1HG LYS 54 7.516 8.788 9.492 429 HG3 LYS 54 2HG LYS 54 5.909 9.362 9.945 430 HD2 LYS 54 1HD LYS 54 6.857 11.422 10.742 431 HD3 LYS 54 2HD LYS 54 8.484 10.867 10.326 432 HE2 LYS 54 1HE LYS 54 7.934 10.856 7.989 433 HE3 LYS 54 2HE LYS 54 6.234 11.159 8.330 434 HZ1 LYS 54 3HZ LYS 54 8.432 13.035 8.988 435 HZ2 LYS 54 1HZ LYS 54 6.777 13.302 9.163 436 HZ3 LYS 54 2HZ LYS 54 7.445 13.160 7.614 437 H CYS 55 H CYS 55 4.335 6.737 10.664 438 HA CYS 55 HA CYS 55 2.599 8.960 10.898 439 HB2 CYS 55 1HB CYS 55 2.372 6.252 9.671 440 HB3 CYS 55 2HB CYS 55 0.906 7.179 9.940 441 H THR 56 H THR 56 0.130 8.194 11.470 442 HA THR 56 HA THR 56 0.126 8.035 14.307 443 HB THR 56 HB THR 56 -2.290 7.680 12.535 444 HG1 THR 56 1HG THR 56 -0.625 9.954 12.928 445 HG21 THR 56 3HG2 THR 56 -1.761 9.313 15.041 446 HG22 THR 56 1HG2 THR 56 -2.540 7.731 15.017 447 HG23 THR 56 2HG2 THR 56 -3.320 9.107 14.242 448 H GLU 57 H GLU 57 -1.050 6.363 15.551 449 HA GLU 57 HA GLU 57 0.069 3.927 15.454 450 HB2 GLU 57 1HB GLU 57 -1.202 4.832 17.329 451 HB3 GLU 57 2HB GLU 57 -2.700 4.452 16.488 452 HG2 GLU 57 1HG GLU 57 -2.025 2.072 16.494 453 HG3 GLU 57 2HG GLU 57 -0.622 2.515 17.461 454 H ALA 58 H ALA 58 -3.189 4.497 14.069 455 HA ALA 58 HA ALA 58 -3.419 1.751 13.268 456 HB1 ALA 58 3HB ALA 58 -5.413 3.140 13.712 457 HB2 ALA 58 1HB ALA 58 -5.050 4.085 12.264 458 HB3 ALA 58 2HB ALA 58 -5.458 2.382 12.121 459 H GLN 59 H GLN 59 -2.281 4.631 11.823 460 HA GLN 59 HA GLN 59 -2.186 3.618 9.157 461 HB2 GLN 59 1HB GLN 59 -0.808 5.973 10.412 462 HB3 GLN 59 2HB GLN 59 -0.731 5.577 8.701 463 HG2 GLN 59 1HG GLN 59 -3.140 5.877 8.523 464 HG3 GLN 59 2HG GLN 59 -3.226 6.248 10.243 465 HE21 GLN 59 1HE2 GLN 59 -0.591 7.339 8.197 466 HE22 GLN 59 2HE2 GLN 59 -1.020 9.000 8.248 467 H GLU 60 H GLU 60 0.190 3.959 11.777 468 HA GLU 60 HA GLU 60 2.311 3.079 10.189 469 HB2 GLU 60 1HB GLU 60 3.580 2.712 12.341 470 HB3 GLU 60 2HB GLU 60 2.870 4.307 12.176 471 HG2 GLU 60 1HG GLU 60 1.171 3.818 13.715 472 HG3 GLU 60 2HG GLU 60 1.524 2.100 13.705 473 H LYS 61 H LYS 61 0.119 1.422 12.389 474 HA LYS 61 HA LYS 61 1.273 -1.160 12.285 475 HB2 LYS 61 1HB LYS 61 -0.289 -0.338 14.038 476 HB3 LYS 61 2HB LYS 61 -1.566 -0.308 12.835 477 HG2 LYS 61 1HG LYS 61 -1.434 -2.731 12.616 478 HG3 LYS 61 2HG LYS 61 -0.115 -2.775 13.788 479 HD2 LYS 61 1HD LYS 61 -2.191 -3.350 14.905 480 HD3 LYS 61 2HD LYS 61 -1.634 -1.779 15.481 481 HE2 LYS 61 1HE LYS 61 -3.217 -0.688 13.896 482 HE3 LYS 61 2HE LYS 61 -3.788 -2.291 13.432 483 HZ1 LYS 61 3HZ LYS 61 -4.463 -2.620 15.766 484 HZ2 LYS 61 1HZ LYS 61 -5.248 -1.332 15.002 485 HZ3 LYS 61 2HZ LYS 61 -4.019 -1.008 16.088 486 H GLY 62 H GLY 62 -1.475 0.358 10.604 487 HA2 GLY 62 1HA GLY 62 -2.061 -1.833 8.967 488 HA3 GLY 62 2HA GLY 62 -2.534 -0.137 8.685 489 H ALA 63 H ALA 63 0.266 0.749 8.672 490 HA ALA 63 HA ALA 63 0.884 0.561 5.965 491 HB1 ALA 63 3HB ALA 63 3.046 1.529 6.534 492 HB2 ALA 63 1HB ALA 63 1.755 2.330 7.432 493 HB3 ALA 63 2HB ALA 63 2.780 1.146 8.236 494 H GLU 64 H GLU 64 2.434 -1.052 8.741 495 HA GLU 64 HA GLU 64 4.068 -2.585 7.037 496 HB2 GLU 64 1HB GLU 64 4.569 -4.013 9.025 497 HB3 GLU 64 2HB GLU 64 4.879 -2.294 9.208 498 HG2 GLU 64 1HG GLU 64 3.055 -1.990 10.559 499 HG3 GLU 64 2HG GLU 64 2.372 -3.592 10.213 500 H THR 65 H THR 65 0.902 -3.299 8.375 501 HA THR 65 HA THR 65 0.686 -6.010 7.440 502 HB THR 65 HB THR 65 -1.463 -3.882 7.673 503 HG1 THR 65 1HG THR 65 0.060 -5.122 9.627 504 HG21 THR 65 3HG2 THR 65 -2.178 -5.984 6.620 505 HG22 THR 65 1HG2 THR 65 -2.937 -5.759 8.192 506 HG23 THR 65 2HG2 THR 65 -1.589 -6.891 8.023 507 H SER 66 H SER 66 0.105 -2.941 5.868 508 HA SER 66 HA SER 66 -0.714 -4.180 3.520 509 HG SER 66 HG SER 66 -1.386 -1.458 5.131 510 HB2 SER 66 1HB SER 66 0.335 -1.380 3.932 511 HB3 SER 66 2HB SER 66 -0.586 -1.958 2.531 512 H ILE 67 H ILE 67 2.417 -3.053 4.673 513 HA ILE 67 HA ILE 67 3.915 -3.471 2.338 514 HB ILE 67 HB ILE 67 4.730 -3.677 5.257 515 HG12 ILE 67 1HG1 ILE 67 5.150 -1.448 3.245 516 HG13 ILE 67 2HG1 ILE 67 3.924 -1.458 4.503 517 HG21 ILE 67 1HG2 ILE 67 6.558 -3.541 2.861 518 HG22 ILE 67 2HG2 ILE 67 6.293 -4.954 3.879 519 HG23 ILE 67 3HG2 ILE 67 7.052 -3.516 4.557 520 HD11 ILE 67 3HD1 ILE 67 5.791 -0.062 5.118 521 HD12 ILE 67 1HD1 ILE 67 6.906 -1.421 4.906 522 HD13 ILE 67 2HD1 ILE 67 5.698 -1.461 6.199 523 H ASP 68 H ASP 68 3.111 -5.629 5.010 524 HA ASP 68 HA ASP 68 4.590 -7.865 4.347 525 HB2 ASP 68 1HB ASP 68 3.524 -7.801 6.479 526 HB3 ASP 68 2HB ASP 68 1.935 -7.613 5.753 527 H TYR 69 H TYR 69 1.152 -7.304 3.471 528 HA TYR 69 HA TYR 69 1.337 -9.755 2.005 529 HD1 TYR 69 2HD TYR 69 -1.246 -9.839 -0.334 530 HD2 TYR 69 1HD TYR 69 -1.173 -10.935 3.776 531 HE1 TYR 69 2HE TYR 69 -2.078 -12.084 -0.908 532 HE2 TYR 69 1HE TYR 69 -2.011 -13.164 3.205 533 HH TYR 69 HH TYR 69 -3.143 -14.289 1.523 534 HB2 TYR 69 1HB TYR 69 -0.878 -8.716 3.183 535 HB3 TYR 69 2HB TYR 69 -1.093 -8.143 1.537 536 H LEU 70 H LEU 70 1.424 -6.366 1.089 537 HA LEU 70 HA LEU 70 0.969 -6.864 -1.670 538 HG LEU 70 HG LEU 70 2.368 -4.833 -2.926 539 HB2 LEU 70 1HB LEU 70 0.790 -4.644 -0.423 540 HB3 LEU 70 2HB LEU 70 2.539 -4.594 -0.502 541 HD11 LEU 70 1HD1 LEU 70 -0.568 -4.362 -2.397 542 HD12 LEU 70 2HD1 LEU 70 0.154 -5.771 -3.174 543 HD13 LEU 70 3HD1 LEU 70 0.159 -4.218 -3.989 544 HD21 LEU 70 3HD2 LEU 70 1.055 -2.392 -1.732 545 HD22 LEU 70 1HD2 LEU 70 1.758 -2.470 -3.348 546 HD23 LEU 70 2HD2 LEU 70 2.788 -2.663 -1.930 547 H ILE 71 H ILE 71 3.973 -6.732 0.226 548 HA ILE 71 HA ILE 71 5.502 -7.026 -2.154 549 HB ILE 71 HB ILE 71 6.353 -7.551 0.718 550 HG12 ILE 71 1HG1 ILE 71 6.786 -5.163 -1.093 551 HG13 ILE 71 2HG1 ILE 71 5.724 -5.221 0.308 552 HG21 ILE 71 1HG2 ILE 71 8.055 -7.278 -1.771 553 HG22 ILE 71 2HG2 ILE 71 7.792 -8.762 -0.859 554 HG23 ILE 71 3HG2 ILE 71 8.665 -7.420 -0.122 555 HD11 ILE 71 3HD1 ILE 71 8.723 -5.465 0.336 556 HD12 ILE 71 1HD1 ILE 71 7.671 -5.553 1.757 557 HD13 ILE 71 2HD1 ILE 71 7.772 -4.054 0.823 558 H LYS 72 H LYS 72 4.095 -9.296 0.126 559 HA LYS 72 HA LYS 72 5.595 -11.470 -0.991 560 HB2 LYS 72 1HB LYS 72 4.598 -12.871 0.629 561 HB3 LYS 72 2HB LYS 72 4.820 -11.321 1.416 562 HG2 LYS 72 1HG LYS 72 2.331 -10.950 0.672 563 HG3 LYS 72 2HG LYS 72 2.312 -12.707 0.600 564 HD2 LYS 72 1HD LYS 72 2.936 -10.976 2.999 565 HD3 LYS 72 2HD LYS 72 1.551 -12.035 2.790 566 HE2 LYS 72 1HE LYS 72 3.041 -13.985 2.870 567 HE3 LYS 72 2HE LYS 72 4.430 -12.913 3.033 568 HZ1 LYS 72 3HZ LYS 72 2.212 -13.242 4.967 569 HZ2 LYS 72 1HZ LYS 72 3.423 -12.080 5.152 570 HZ3 LYS 72 2HZ LYS 72 3.787 -13.724 5.183 571 H ASN 73 H ASN 73 2.500 -10.026 -1.684 572 HA ASN 73 HA ASN 73 1.733 -12.383 -3.259 573 HB2 ASN 73 1HB ASN 73 0.047 -11.487 -1.705 574 HB3 ASN 73 2HB ASN 73 0.062 -9.962 -2.579 575 HD21 ASN 73 1HD2 ASN 73 -2.147 -10.135 -3.069 576 HD22 ASN 73 2HD2 ASN 73 -2.703 -11.241 -4.262 577 H GLU 74 H GLU 74 1.789 -8.799 -3.794 578 HA GLU 74 HA GLU 74 2.718 -9.312 -6.459 579 HB2 GLU 74 1HB GLU 74 0.237 -9.438 -6.759 580 HB3 GLU 74 2HB GLU 74 0.092 -7.807 -6.129 581 HG2 GLU 74 1HG GLU 74 1.337 -6.918 -8.007 582 HG3 GLU 74 2HG GLU 74 1.629 -8.540 -8.623 583 H LEU 75 H LEU 75 4.472 -8.353 -5.608 584 HA LEU 75 HA LEU 75 4.616 -5.745 -4.640 585 HG LEU 75 HG LEU 75 6.533 -8.639 -6.120 586 HB2 LEU 75 1HB LEU 75 7.074 -5.829 -5.162 587 HB3 LEU 75 2HB LEU 75 6.465 -7.097 -4.130 588 HD11 LEU 75 1HD1 LEU 75 8.038 -6.383 -7.429 589 HD12 LEU 75 2HD1 LEU 75 6.470 -7.016 -7.925 590 HD13 LEU 75 3HD1 LEU 75 7.907 -8.032 -8.043 591 HD21 LEU 75 3HD2 LEU 75 9.130 -7.355 -5.306 592 HD22 LEU 75 1HD2 LEU 75 8.955 -8.947 -6.039 593 HD23 LEU 75 2HD2 LEU 75 8.285 -8.632 -4.436 594 H GLU 76 H GLU 76 3.891 -6.606 -7.738 595 HA GLU 76 HA GLU 76 5.105 -4.627 -9.286 596 HB2 GLU 76 1HB GLU 76 2.443 -5.982 -9.594 597 HB3 GLU 76 2HB GLU 76 3.141 -4.908 -10.797 598 HG2 GLU 76 1HG GLU 76 4.388 -7.456 -9.810 599 HG3 GLU 76 2HG GLU 76 3.503 -7.258 -11.323 600 H ILE 77 H ILE 77 2.307 -4.490 -7.204 601 HA ILE 77 HA ILE 77 1.383 -1.940 -8.068 602 HB ILE 77 HB ILE 77 1.010 -3.340 -5.426 603 HG12 ILE 77 1HG1 ILE 77 0.223 -4.716 -7.269 604 HG13 ILE 77 2HG1 ILE 77 -1.148 -4.119 -6.322 605 HG21 ILE 77 1HG2 ILE 77 -0.599 -1.093 -6.655 606 HG22 ILE 77 2HG2 ILE 77 0.449 -0.965 -5.245 607 HG23 ILE 77 3HG2 ILE 77 -1.022 -1.936 -5.165 608 HD11 ILE 77 3HD1 ILE 77 -0.206 -3.028 -8.975 609 HD12 ILE 77 1HD1 ILE 77 -1.577 -2.433 -8.042 610 HD13 ILE 77 2HD1 ILE 77 -1.607 -4.060 -8.715 611 H TRP 78 H TRP 78 3.663 -3.085 -5.684 612 HA TRP 78 HA TRP 78 4.162 -0.690 -4.285 613 HD1 TRP 78 HD TRP 78 8.007 -0.860 -4.794 614 HE1 TRP 78 1HE TRP 78 9.294 -0.047 -2.756 615 HE3 TRP 78 3HE TRP 78 4.960 -2.725 -1.141 616 HZ2 TRP 78 2HZ TRP 78 9.074 -0.198 0.072 617 HZ3 TRP 78 3HZ TRP 78 5.582 -2.350 1.204 618 HH2 TRP 78 HH TRP 78 7.596 -1.115 1.795 619 HB2 TRP 78 1HB TRP 78 4.968 -2.950 -3.554 620 HB3 TRP 78 2HB TRP 78 6.079 -2.973 -4.910 621 H LYS 79 H LYS 79 5.688 -2.187 -7.094 622 HA LYS 79 HA LYS 79 7.600 -0.283 -7.753 623 HB2 LYS 79 1HB LYS 79 5.943 -2.061 -9.528 624 HB3 LYS 79 2HB LYS 79 7.269 -1.073 -10.113 625 HG2 LYS 79 1HG LYS 79 8.862 -2.326 -8.861 626 HG3 LYS 79 2HG LYS 79 7.591 -3.167 -7.974 627 HD2 LYS 79 1HD LYS 79 8.632 -4.533 -9.796 628 HD3 LYS 79 2HD LYS 79 6.894 -4.345 -9.960 629 HE2 LYS 79 1HE LYS 79 7.317 -2.489 -11.572 630 HE3 LYS 79 2HE LYS 79 9.040 -2.862 -11.479 631 HZ1 LYS 79 3HZ LYS 79 8.583 -5.043 -12.358 632 HZ2 LYS 79 1HZ LYS 79 7.910 -3.883 -13.378 633 HZ3 LYS 79 2HZ LYS 79 6.922 -4.761 -12.322 634 H GLU 80 H GLU 80 4.200 -0.427 -8.731 635 HA GLU 80 HA GLU 80 4.234 1.859 -10.373 636 HB2 GLU 80 1HB GLU 80 1.967 0.528 -8.908 637 HB3 GLU 80 2HB GLU 80 1.770 1.810 -10.094 638 HG2 GLU 80 1HG GLU 80 2.851 0.361 -11.783 639 HG3 GLU 80 2HG GLU 80 2.942 -0.923 -10.578 640 H LEU 81 H LEU 81 3.498 1.418 -6.957 641 HA LEU 81 HA LEU 81 2.723 4.091 -6.500 642 HG LEU 81 HG LEU 81 1.724 1.254 -5.447 643 HB2 LEU 81 1HB LEU 81 3.855 2.079 -4.534 644 HB3 LEU 81 2HB LEU 81 3.082 3.591 -4.111 645 HD11 LEU 81 1HD1 LEU 81 0.557 1.011 -3.317 646 HD12 LEU 81 2HD1 LEU 81 1.547 2.303 -2.628 647 HD13 LEU 81 3HD1 LEU 81 2.301 0.788 -3.141 648 HD21 LEU 81 3HD2 LEU 81 0.602 3.869 -4.430 649 HD22 LEU 81 1HD2 LEU 81 -0.347 2.506 -5.019 650 HD23 LEU 81 2HD2 LEU 81 0.721 3.372 -6.120 651 H THR 82 H THR 82 5.823 2.394 -6.195 652 HA THR 82 HA THR 82 7.355 4.567 -5.291 653 HB THR 82 HB THR 82 8.244 2.196 -6.981 654 HG1 THR 82 1HG THR 82 7.987 2.622 -4.195 655 HG21 THR 82 3HG2 THR 82 9.794 3.965 -5.083 656 HG22 THR 82 1HG2 THR 82 9.916 3.996 -6.846 657 HG23 THR 82 2HG2 THR 82 10.429 2.559 -5.952 658 H ALA 83 H ALA 83 6.446 3.518 -8.495 659 HA ALA 83 HA ALA 83 8.028 5.272 -9.994 660 HB1 ALA 83 3HB ALA 83 5.295 4.181 -10.637 661 HB2 ALA 83 1HB ALA 83 6.425 4.876 -11.796 662 HB3 ALA 83 2HB ALA 83 6.831 3.373 -10.960 663 H HIS 84 H HIS 84 5.053 5.746 -8.275 664 HA HIS 84 HA HIS 84 4.728 8.399 -9.432 665 HD1 HIS 84 1HD HIS 84 0.914 5.881 -8.475 666 HD2 HIS 84 2HD HIS 84 3.281 7.874 -11.235 667 HE1 HIS 84 1HE HIS 84 0.007 5.241 -10.720 668 HE2 HIS 84 2HE HIS 84 1.649 6.254 -12.357 669 HB2 HIS 84 1HB HIS 84 2.995 6.922 -7.449 670 HB3 HIS 84 2HB HIS 84 2.661 8.553 -8.006 671 H PHE 85 H PHE 85 5.386 7.032 -6.222 672 HA PHE 85 HA PHE 85 5.501 9.692 -5.114 673 HD1 PHE 85 2HD PHE 85 3.801 10.087 -3.127 674 HD2 PHE 85 1HD PHE 85 3.716 5.964 -4.170 675 HE1 PHE 85 2HE PHE 85 1.356 10.086 -2.911 676 HE2 PHE 85 1HE PHE 85 1.266 5.955 -3.955 677 HZ PHE 85 HZ PHE 85 0.081 8.018 -3.322 678 HB2 PHE 85 1HB PHE 85 5.762 7.011 -3.784 679 HB3 PHE 85 2HB PHE 85 5.834 8.546 -2.935 680 H ASP 86 H ASP 86 7.811 6.925 -4.906 681 HA ASP 86 HA ASP 86 9.918 8.990 -4.848 682 HB2 ASP 86 1HB ASP 86 9.904 6.384 -3.316 683 HB3 ASP 86 2HB ASP 86 11.347 7.339 -3.567 684 HA PRO 87 HA PRO 87 10.849 6.065 -8.306 685 HB2 PRO 87 1HB PRO 87 11.276 8.340 -10.054 686 HB3 PRO 87 2HB PRO 87 10.044 7.070 -10.154 687 HG2 PRO 87 1HG PRO 87 9.509 9.712 -9.562 688 HG3 PRO 87 2HG PRO 87 8.462 8.343 -9.160 689 HD2 PRO 87 1HD PRO 87 10.365 9.854 -7.439 690 HD3 PRO 87 2HD PRO 87 8.789 9.145 -7.025 691 H ASP 88 H ASP 88 12.183 8.852 -6.963 692 HA ASP 88 HA ASP 88 14.883 8.435 -7.941 693 HB2 ASP 88 1HB ASP 88 13.992 10.739 -7.715 694 HB3 ASP 88 2HB ASP 88 13.766 10.479 -5.994 695 H GLY 89 H GLY 89 12.973 7.034 -5.737 696 HA2 GLY 89 1HA GLY 89 14.702 6.790 -3.478 697 HA3 GLY 89 2HA GLY 89 13.280 5.811 -3.828 698 H LYS 90 H LYS 90 15.512 4.548 -2.853 699 HA LYS 90 HA LYS 90 17.101 3.627 -5.038 700 HB2 LYS 90 1HB LYS 90 16.978 2.727 -2.188 701 HB3 LYS 90 2HB LYS 90 18.080 2.055 -3.379 702 HG2 LYS 90 1HG LYS 90 17.980 4.908 -2.433 703 HG3 LYS 90 2HG LYS 90 19.192 3.704 -1.999 704 HD2 LYS 90 1HD LYS 90 19.800 3.531 -4.414 705 HD3 LYS 90 2HD LYS 90 18.675 4.851 -4.743 706 HE2 LYS 90 1HE LYS 90 21.079 4.962 -2.955 707 HE3 LYS 90 2HE LYS 90 20.958 5.656 -4.571 708 HZ1 LYS 90 3HZ LYS 90 19.350 6.459 -2.205 709 HZ2 LYS 90 1HZ LYS 90 19.206 7.124 -3.737 710 HZ3 LYS 90 2HZ LYS 90 20.619 7.341 -2.865 711 H TRP 91 H TRP 91 14.062 2.764 -4.077 712 HA TRP 91 HA TRP 91 12.608 1.061 -4.621 713 HD1 TRP 91 HD TRP 91 14.706 3.119 -7.093 714 HE1 TRP 91 1HE TRP 91 13.247 4.406 -8.755 715 HE3 TRP 91 3HE TRP 91 11.052 -0.384 -7.801 716 HZ2 TRP 91 2HZ TRP 91 10.851 3.982 -10.213 717 HZ3 TRP 91 3HZ TRP 91 9.215 0.134 -9.357 718 HH2 TRP 91 HH TRP 91 9.119 2.269 -10.537 719 HB2 TRP 91 1HB TRP 91 14.770 0.328 -6.628 720 HB3 TRP 91 2HB TRP 91 13.177 -0.413 -6.573 721 H ARG 92 H ARG 92 15.666 -0.586 -4.966 722 HA ARG 92 HA ARG 92 14.708 -2.974 -3.792 723 HE ARG 92 HE ARG 92 15.197 -3.967 -5.945 724 HB2 ARG 92 1HB ARG 92 16.544 -2.711 -5.517 725 HB3 ARG 92 2HB ARG 92 17.583 -2.203 -4.198 726 HG2 ARG 92 1HG ARG 92 17.850 -4.590 -4.824 727 HG3 ARG 92 2HG ARG 92 17.398 -4.327 -3.138 728 HD2 ARG 92 1HD ARG 92 16.186 -6.194 -4.387 729 HD3 ARG 92 2HD ARG 92 15.192 -5.057 -3.487 730 HH11 ARG 92 1HH1 ARG 92 14.604 -7.339 -4.972 731 HH12 ARG 92 2HH1 ARG 92 13.460 -7.614 -6.194 732 HH21 ARG 92 1HH2 ARG 92 13.626 -4.382 -7.607 733 HH22 ARG 92 2HH2 ARG 92 12.872 -5.902 -7.698 734 H LYS 93 H LYS 93 16.409 -0.206 -2.556 735 HA LYS 93 HA LYS 93 17.207 -1.351 -0.118 736 HB2 LYS 93 1HB LYS 93 18.149 0.786 -0.977 737 HB3 LYS 93 2HB LYS 93 16.594 1.547 -0.662 738 HG2 LYS 93 1HG LYS 93 18.222 2.065 1.082 739 HG3 LYS 93 2HG LYS 93 16.839 1.163 1.710 740 HD2 LYS 93 1HD LYS 93 18.181 -0.906 1.597 741 HD3 LYS 93 2HD LYS 93 19.563 0.045 1.045 742 HE2 LYS 93 1HE LYS 93 19.507 1.304 3.131 743 HE3 LYS 93 2HE LYS 93 18.109 0.374 3.660 744 HZ1 LYS 93 3HZ LYS 93 20.826 -0.703 3.131 745 HZ2 LYS 93 1HZ LYS 93 19.479 -1.636 3.532 746 HZ3 LYS 93 2HZ LYS 93 20.090 -0.508 4.636 747 H LYS 94 H LYS 94 14.218 0.213 -1.133 748 HA LYS 94 HA LYS 94 13.071 0.259 1.458 749 HB2 LYS 94 1HB LYS 94 11.702 0.212 -1.242 750 HB3 LYS 94 2HB LYS 94 10.896 0.453 0.298 751 HG2 LYS 94 1HG LYS 94 12.263 2.502 0.624 752 HG3 LYS 94 2HG LYS 94 12.871 2.292 -1.023 753 HD2 LYS 94 1HD LYS 94 10.632 2.437 -1.916 754 HD3 LYS 94 2HD LYS 94 9.954 2.490 -0.293 755 HE2 LYS 94 1HE LYS 94 11.224 4.631 0.061 756 HE3 LYS 94 2HE LYS 94 11.641 4.586 -1.655 757 HZ1 LYS 94 3HZ LYS 94 9.619 5.966 -1.260 758 HZ2 LYS 94 1HZ LYS 94 8.901 4.625 -0.546 759 HZ3 LYS 94 2HZ LYS 94 9.211 4.577 -2.148 760 H TYR 95 H TYR 95 13.125 -2.038 -1.177 761 HA TYR 95 HA TYR 95 11.344 -3.899 -0.100 762 HD1 TYR 95 2HD TYR 95 10.205 -5.669 -1.829 763 HD2 TYR 95 1HD TYR 95 12.772 -2.949 -3.850 764 HE1 TYR 95 2HE TYR 95 8.509 -5.374 -3.577 765 HE2 TYR 95 1HE TYR 95 11.090 -2.653 -5.607 766 HH TYR 95 HH TYR 95 7.909 -3.632 -5.301 767 HB2 TYR 95 1HB TYR 95 13.606 -4.220 -2.042 768 HB3 TYR 95 2HB TYR 95 12.723 -5.620 -1.456 769 H GLU 96 H GLU 96 14.928 -3.899 0.176 770 HA GLU 96 HA GLU 96 14.941 -6.181 1.821 771 HB2 GLU 96 1HB GLU 96 17.241 -5.512 2.516 772 HB3 GLU 96 2HB GLU 96 17.013 -5.544 0.776 773 HG2 GLU 96 1HG GLU 96 17.015 -3.219 0.618 774 HG3 GLU 96 2HG GLU 96 16.760 -3.006 2.347 775 H ASP 97 H ASP 97 14.757 -2.786 2.643 776 HA ASP 97 HA ASP 97 15.142 -3.121 5.431 777 HB2 ASP 97 1HB ASP 97 15.566 -1.003 4.312 778 HB3 ASP 97 2HB ASP 97 13.877 -0.874 3.866 779 H ARG 98 H ARG 98 12.205 -2.529 3.519 780 HA ARG 98 HA ARG 98 10.614 -2.684 5.884 781 HE ARG 98 HE ARG 98 10.229 1.775 4.860 782 HB2 ARG 98 1HB ARG 98 9.774 -2.435 3.000 783 HB3 ARG 98 2HB ARG 98 8.694 -2.315 4.377 784 HG2 ARG 98 1HG ARG 98 10.968 -0.433 3.724 785 HG3 ARG 98 2HG ARG 98 9.245 -0.094 3.567 786 HD2 ARG 98 1HD ARG 98 8.991 -0.374 6.011 787 HD3 ARG 98 2HD ARG 98 10.723 -0.688 6.119 788 HH11 ARG 98 1HH1 ARG 98 10.393 0.257 8.053 789 HH12 ARG 98 2HH1 ARG 98 10.671 1.721 8.901 790 HH21 ARG 98 1HH2 ARG 98 10.628 3.763 6.023 791 HH22 ARG 98 2HH2 ARG 98 10.819 3.744 7.726 792 H ALA 99 H ALA 99 11.318 -4.902 3.248 793 HA ALA 99 HA ALA 99 9.218 -6.680 3.995 794 HB1 ALA 99 3HB ALA 99 10.032 -6.636 1.717 795 HB2 ALA 99 1HB ALA 99 11.629 -7.133 2.251 796 HB3 ALA 99 2HB ALA 99 10.279 -8.250 2.378 797 H LYS 100 H LYS 100 12.775 -6.754 4.459 798 HA LYS 100 HA LYS 100 12.627 -9.246 5.816 799 HB2 LYS 100 1HB LYS 100 14.900 -7.256 5.838 800 HB3 LYS 100 2HB LYS 100 14.992 -8.931 6.356 801 HG2 LYS 100 1HG LYS 100 14.375 -8.022 3.543 802 HG3 LYS 100 2HG LYS 100 15.956 -8.531 4.109 803 HD2 LYS 100 1HD LYS 100 13.567 -10.365 4.294 804 HD3 LYS 100 2HD LYS 100 14.481 -10.195 2.804 805 HE2 LYS 100 1HE LYS 100 15.268 -12.130 3.985 806 HE3 LYS 100 2HE LYS 100 16.523 -10.903 4.003 807 HZ1 LYS 100 3HZ LYS 100 16.017 -10.437 6.296 808 HZ2 LYS 100 1HZ LYS 100 16.249 -12.081 6.086 809 HZ3 LYS 100 2HZ LYS 100 14.696 -11.510 6.268 810 H ALA 101 H ALA 101 12.275 -5.952 6.916 811 HA ALA 101 HA ALA 101 12.779 -6.613 9.663 812 HB1 ALA 101 3HB ALA 101 11.919 -4.409 10.186 813 HB2 ALA 101 1HB ALA 101 13.033 -4.325 8.817 814 HB3 ALA 101 2HB ALA 101 11.293 -4.256 8.546 815 H LYS 102 H LYS 102 9.971 -6.670 7.601 816 HA LYS 102 HA LYS 102 8.281 -7.088 9.949 817 HB2 LYS 102 1HB LYS 102 7.491 -6.729 7.068 818 HB3 LYS 102 2HB LYS 102 6.391 -6.805 8.443 819 HG2 LYS 102 1HG LYS 102 8.500 -4.708 7.985 820 HG3 LYS 102 2HG LYS 102 6.768 -4.540 7.707 821 HD2 LYS 102 1HD LYS 102 6.348 -4.859 10.119 822 HD3 LYS 102 2HD LYS 102 8.063 -5.139 10.390 823 HE2 LYS 102 1HE LYS 102 8.552 -2.828 9.690 824 HE3 LYS 102 2HE LYS 102 6.848 -2.563 9.395 825 HZ1 LYS 102 3HZ LYS 102 6.381 -2.865 11.713 826 HZ2 LYS 102 1HZ LYS 102 7.581 -1.704 11.563 827 HZ3 LYS 102 2HZ LYS 102 7.967 -3.269 12.059 828 H GLY 103 H GLY 103 9.899 -8.812 7.715 829 HA2 GLY 103 1HA GLY 103 10.260 -11.165 8.271 830 HA3 GLY 103 2HA GLY 103 8.576 -11.249 8.755 831 H ILE 104 H ILE 104 9.524 -9.705 5.796 832 HA ILE 104 HA ILE 104 8.108 -11.794 4.354 833 HB ILE 104 HB ILE 104 8.987 -9.052 3.450 834 HG12 ILE 104 1HG1 ILE 104 7.219 -8.905 5.071 835 HG13 ILE 104 2HG1 ILE 104 6.577 -8.521 3.476 836 HG21 ILE 104 1HG2 ILE 104 7.606 -9.455 1.446 837 HG22 ILE 104 2HG2 ILE 104 7.238 -11.076 2.033 838 HG23 ILE 104 3HG2 ILE 104 8.890 -10.663 1.580 839 HD11 ILE 104 3HD1 ILE 104 5.017 -9.918 4.684 840 HD12 ILE 104 1HD1 ILE 104 6.265 -11.139 4.929 841 HD13 ILE 104 2HD1 ILE 104 5.678 -10.795 3.305 842 H VAL 105 H VAL 105 9.274 -13.351 3.620 843 HA VAL 105 HA VAL 105 12.061 -12.940 3.155 844 HB VAL 105 HB VAL 105 12.140 -15.419 2.642 845 HG11 VAL 105 1HG1 VAL 105 10.984 -14.589 5.300 846 HG12 VAL 105 2HG1 VAL 105 11.868 -16.083 4.988 847 HG13 VAL 105 3HG1 VAL 105 12.685 -14.526 4.844 848 HG21 VAL 105 3HG2 VAL 105 10.219 -16.797 3.303 849 HG22 VAL 105 1HG2 VAL 105 9.784 -15.725 1.973 850 HG23 VAL 105 2HG2 VAL 105 9.273 -15.344 3.619 851 H ILE 106 H ILE 106 12.513 -11.864 1.438 852 HA ILE 106 HA ILE 106 11.560 -12.961 -1.094 853 HB ILE 106 HB ILE 106 11.971 -10.876 -2.233 854 HG12 ILE 106 1HG1 ILE 106 13.984 -10.116 -0.928 855 HG13 ILE 106 2HG1 ILE 106 12.846 -8.828 -1.270 856 HG21 ILE 106 1HG2 ILE 106 9.807 -11.013 -1.208 857 HG22 ILE 106 2HG2 ILE 106 10.375 -9.344 -1.216 858 HG23 ILE 106 3HG2 ILE 106 10.439 -10.287 0.270 859 HD11 ILE 106 3HD1 ILE 106 13.769 -8.658 0.965 860 HD12 ILE 106 1HD1 ILE 106 13.158 -10.269 1.346 861 HD13 ILE 106 2HD1 ILE 106 12.028 -8.955 1.020 862 HA PRO 107 HA PRO 107 15.745 -14.201 -1.800 863 HB2 PRO 107 1HB PRO 107 15.468 -13.350 -4.616 864 HB3 PRO 107 2HB PRO 107 15.802 -14.959 -3.967 865 HG2 PRO 107 1HG PRO 107 13.425 -14.369 -5.040 866 HG3 PRO 107 2HG PRO 107 13.551 -15.423 -3.620 867 HD2 PRO 107 1HD PRO 107 12.800 -12.530 -3.779 868 HD3 PRO 107 2HD PRO 107 12.080 -13.836 -2.812 869 H GLU 108 H GLU 108 17.090 -12.766 -0.852 870 HA GLU 108 HA GLU 108 17.439 -10.195 -2.052 871 HB2 GLU 108 1HB GLU 108 18.992 -9.717 -0.179 872 HB3 GLU 108 2HB GLU 108 17.420 -10.250 0.379 873 HG2 GLU 108 1HG GLU 108 18.361 -12.481 0.813 874 HG3 GLU 108 2HG GLU 108 19.937 -11.903 0.279 Start of MODEL 5 1 HA TYR 1 HA TYR 1 -21.667 -2.166 4.740 2 HD1 TYR 1 1HD TYR 1 -24.163 -1.586 5.696 3 HD2 TYR 1 2HD TYR 1 -21.957 -3.127 8.984 4 HE1 TYR 1 1HE TYR 1 -26.173 -2.750 6.492 5 HE2 TYR 1 2HE TYR 1 -23.963 -4.296 9.789 6 HH TYR 1 HH TYR 1 -26.406 -4.016 9.580 7 H1 TYR 1 1HT TYR 1 -21.541 -4.192 5.981 8 H2 TYR 1 2HT TYR 1 -20.197 -3.703 6.804 9 H3 TYR 1 3HT TYR 1 -20.058 -4.063 5.184 10 HB2 TYR 1 1HB TYR 1 -20.986 -1.512 7.620 11 HB3 TYR 1 2HB TYR 1 -21.975 -0.542 6.537 12 H THR 2 H THR 2 -18.621 -2.859 6.138 13 HA THR 2 HA THR 2 -17.376 -0.988 4.398 14 HB THR 2 HB THR 2 -16.694 -1.077 7.374 15 HG1 THR 2 1HG THR 2 -18.584 0.337 6.083 16 HG21 THR 2 3HG2 THR 2 -15.168 0.711 6.862 17 HG22 THR 2 1HG2 THR 2 -15.750 0.766 5.194 18 HG23 THR 2 2HG2 THR 2 -14.861 -0.639 5.755 19 H ASP 3 H ASP 3 -16.767 -2.804 3.309 20 HA ASP 3 HA ASP 3 -15.106 -4.771 4.779 21 HB2 ASP 3 1HB ASP 3 -17.308 -5.420 2.814 22 HB3 ASP 3 2HB ASP 3 -16.189 -6.584 3.498 23 H LYS 4 H LYS 4 -15.785 -3.056 1.822 24 HA LYS 4 HA LYS 4 -13.350 -3.664 0.614 25 HB2 LYS 4 1HB LYS 4 -15.703 -5.235 -0.470 26 HB3 LYS 4 2HB LYS 4 -14.385 -4.773 -1.524 27 HG2 LYS 4 1HG LYS 4 -12.843 -6.013 0.020 28 HG3 LYS 4 2HG LYS 4 -14.272 -6.596 0.869 29 HD2 LYS 4 1HD LYS 4 -15.081 -7.658 -1.159 30 HD3 LYS 4 2HD LYS 4 -13.715 -7.006 -2.069 31 HE2 LYS 4 1HE LYS 4 -13.248 -9.302 -1.534 32 HE3 LYS 4 2HE LYS 4 -12.189 -8.266 -0.591 33 HZ1 LYS 4 3HZ LYS 4 -13.090 -10.048 0.741 34 HZ2 LYS 4 1HZ LYS 4 -14.660 -9.565 0.393 35 HZ3 LYS 4 2HZ LYS 4 -13.668 -8.579 1.330 36 H TYR 5 H TYR 5 -12.941 -2.257 -1.047 37 HA TYR 5 HA TYR 5 -13.004 -0.129 -1.737 38 HD1 TYR 5 2HD TYR 5 -17.034 0.581 -3.009 39 HD2 TYR 5 1HD TYR 5 -15.179 -3.159 -3.792 40 HE1 TYR 5 2HE TYR 5 -19.243 -0.432 -3.379 41 HE2 TYR 5 1HE TYR 5 -17.381 -4.179 -4.173 42 HH TYR 5 HH TYR 5 -19.712 -3.754 -3.514 43 HB2 TYR 5 1HB TYR 5 -14.650 0.432 -3.522 44 HB3 TYR 5 2HB TYR 5 -13.882 -1.068 -3.817 45 H ASP 6 H ASP 6 -14.171 -0.574 0.748 46 HA ASP 6 HA ASP 6 -15.892 1.794 0.922 47 HB2 ASP 6 1HB ASP 6 -15.435 -0.348 3.015 48 HB3 ASP 6 2HB ASP 6 -16.506 1.033 3.166 49 H LYS 7 H LYS 7 -13.463 0.105 2.854 50 HA LYS 7 HA LYS 7 -11.988 2.435 3.329 51 HB2 LYS 7 1HB LYS 7 -14.049 3.153 4.433 52 HB3 LYS 7 2HB LYS 7 -13.901 1.783 5.521 53 HG2 LYS 7 1HG LYS 7 -11.868 2.653 6.467 54 HG3 LYS 7 2HG LYS 7 -11.844 3.930 5.248 55 HD2 LYS 7 1HD LYS 7 -12.585 4.772 7.425 56 HD3 LYS 7 2HD LYS 7 -13.836 4.919 6.199 57 HE2 LYS 7 1HE LYS 7 -14.950 2.940 7.075 58 HE3 LYS 7 2HE LYS 7 -13.662 2.735 8.262 59 HZ1 LYS 7 3HZ LYS 7 -15.278 5.192 8.090 60 HZ2 LYS 7 1HZ LYS 7 -14.286 4.695 9.347 61 HZ3 LYS 7 2HZ LYS 7 -15.742 3.876 9.071 62 H ILE 8 H ILE 8 -12.948 0.049 5.878 63 HA ILE 8 HA ILE 8 -10.141 -0.430 6.420 64 HB ILE 8 HB ILE 8 -11.000 -1.969 8.178 65 HG12 ILE 8 1HG1 ILE 8 -13.729 -1.011 7.346 66 HG13 ILE 8 2HG1 ILE 8 -13.104 -2.585 6.860 67 HG21 ILE 8 1HG2 ILE 8 -12.003 -0.226 9.582 68 HG22 ILE 8 2HG2 ILE 8 -12.242 0.780 8.152 69 HG23 ILE 8 3HG2 ILE 8 -10.611 0.381 8.683 70 HD11 ILE 8 3HD1 ILE 8 -13.630 -1.593 9.661 71 HD12 ILE 8 1HD1 ILE 8 -12.973 -3.180 9.266 72 HD13 ILE 8 2HD1 ILE 8 -14.613 -2.755 8.768 73 H ASN 9 H ASN 9 -10.906 -1.226 3.909 74 HA ASN 9 HA ASN 9 -10.931 -4.145 3.932 75 HB2 ASN 9 1HB ASN 9 -11.374 -3.896 1.547 76 HB3 ASN 9 2HB ASN 9 -12.556 -3.055 2.535 77 HD21 ASN 9 1HD2 ASN 9 -9.569 -2.486 0.833 78 HD22 ASN 9 2HD2 ASN 9 -9.856 -0.930 0.267 79 H LEU 10 H LEU 10 -8.474 -2.278 4.492 80 HA LEU 10 HA LEU 10 -6.899 -1.949 2.273 81 HG LEU 10 HG LEU 10 -7.759 -0.565 4.730 82 HB2 LEU 10 1HB LEU 10 -5.975 -2.449 5.106 83 HB3 LEU 10 2HB LEU 10 -5.110 -1.621 3.831 84 HD11 LEU 10 1HD1 LEU 10 -6.363 -0.728 6.706 85 HD12 LEU 10 2HD1 LEU 10 -6.551 0.946 6.189 86 HD13 LEU 10 3HD1 LEU 10 -5.051 0.074 5.847 87 HD21 LEU 10 3HD2 LEU 10 -5.370 0.564 3.294 88 HD22 LEU 10 1HD2 LEU 10 -6.760 1.516 3.864 89 HD23 LEU 10 2HD2 LEU 10 -6.988 0.247 2.657 90 H GLN 11 H GLN 11 -6.852 -4.659 4.572 91 HA GLN 11 HA GLN 11 -5.077 -6.093 2.780 92 HB2 GLN 11 1HB GLN 11 -4.844 -6.169 5.323 93 HB3 GLN 11 2HB GLN 11 -6.305 -7.150 5.329 94 HG2 GLN 11 1HG GLN 11 -4.658 -8.760 5.390 95 HG3 GLN 11 2HG GLN 11 -4.995 -8.653 3.667 96 HE21 GLN 11 1HE2 GLN 11 -3.334 -5.949 3.566 97 HE22 GLN 11 2HE2 GLN 11 -1.742 -6.569 3.654 98 H GLU 12 H GLU 12 -8.449 -5.820 3.402 99 HA GLU 12 HA GLU 12 -9.243 -8.475 2.589 100 HB2 GLU 12 1HB GLU 12 -10.820 -5.892 2.672 101 HB3 GLU 12 2HB GLU 12 -11.513 -7.479 2.390 102 HG2 GLU 12 1HG GLU 12 -10.110 -6.598 4.898 103 HG3 GLU 12 2HG GLU 12 -11.856 -6.720 4.670 104 H ILE 13 H ILE 13 -8.276 -5.708 1.138 105 HA ILE 13 HA ILE 13 -9.202 -6.483 -1.490 106 HB ILE 13 HB ILE 13 -8.324 -3.935 -0.251 107 HG12 ILE 13 1HG1 ILE 13 -10.675 -4.460 -0.163 108 HG13 ILE 13 2HG1 ILE 13 -10.414 -3.067 -1.204 109 HG21 ILE 13 1HG2 ILE 13 -8.413 -4.421 -3.181 110 HG22 ILE 13 2HG2 ILE 13 -6.999 -4.029 -2.199 111 HG23 ILE 13 3HG2 ILE 13 -8.294 -2.849 -2.403 112 HD11 ILE 13 3HD1 ILE 13 -11.117 -5.883 -1.983 113 HD12 ILE 13 1HD1 ILE 13 -10.605 -4.638 -3.133 114 HD13 ILE 13 2HD1 ILE 13 -12.071 -4.415 -2.181 115 H LEU 14 H LEU 14 -6.229 -5.358 0.249 116 HA LEU 14 HA LEU 14 -4.483 -5.445 -1.831 117 HG LEU 14 HG LEU 14 -1.936 -6.399 -0.536 118 HB2 LEU 14 1HB LEU 14 -4.052 -4.446 0.335 119 HB3 LEU 14 2HB LEU 14 -3.849 -6.045 1.020 120 HD11 LEU 14 1HD1 LEU 14 -2.484 -4.736 -2.227 121 HD12 LEU 14 2HD1 LEU 14 -0.887 -4.437 -1.541 122 HD13 LEU 14 3HD1 LEU 14 -2.256 -3.444 -1.047 123 HD21 LEU 14 3HD2 LEU 14 -0.425 -5.020 0.759 124 HD22 LEU 14 1HD2 LEU 14 -1.632 -5.793 1.789 125 HD23 LEU 14 2HD2 LEU 14 -1.811 -4.099 1.339 126 H GLU 15 H GLU 15 -5.759 -8.153 -0.182 127 HA GLU 15 HA GLU 15 -3.653 -9.903 -0.736 128 HB2 GLU 15 1HB GLU 15 -5.020 -10.545 0.971 129 HB3 GLU 15 2HB GLU 15 -6.522 -10.350 0.060 130 HG2 GLU 15 1HG GLU 15 -6.099 -12.366 -1.160 131 HG3 GLU 15 2HG GLU 15 -4.454 -12.456 -0.550 132 H ASN 16 H ASN 16 -5.896 -8.553 -2.922 133 HA ASN 16 HA ASN 16 -4.807 -10.288 -5.019 134 HB2 ASN 16 1HB ASN 16 -7.782 -9.870 -4.678 135 HB3 ASN 16 2HB ASN 16 -7.031 -10.536 -6.116 136 HD21 ASN 16 1HD2 ASN 16 -8.088 -11.088 -2.943 137 HD22 ASN 16 2HD2 ASN 16 -7.801 -12.784 -2.873 138 H LYS 17 H LYS 17 -3.950 -8.841 -6.400 139 HA LYS 17 HA LYS 17 -4.399 -6.265 -6.893 140 HB2 LYS 17 1HB LYS 17 -3.760 -6.556 -9.278 141 HB3 LYS 17 2HB LYS 17 -2.687 -7.318 -8.134 142 HG2 LYS 17 1HG LYS 17 -4.763 -8.749 -9.775 143 HG3 LYS 17 2HG LYS 17 -3.065 -8.628 -10.218 144 HD2 LYS 17 1HD LYS 17 -2.690 -9.708 -7.838 145 HD3 LYS 17 2HD LYS 17 -4.366 -10.191 -8.016 146 HE2 LYS 17 1HE LYS 17 -2.991 -11.986 -8.789 147 HE3 LYS 17 2HE LYS 17 -3.784 -11.251 -10.181 148 HZ1 LYS 17 3HZ LYS 17 -1.416 -11.726 -10.560 149 HZ2 LYS 17 1HZ LYS 17 -1.007 -10.694 -9.304 150 HZ3 LYS 17 2HZ LYS 17 -1.723 -10.071 -10.684 151 H ARG 18 H ARG 18 -6.536 -8.695 -8.176 152 HA ARG 18 HA ARG 18 -8.129 -6.869 -9.638 153 HE ARG 18 HE ARG 18 -7.851 -12.272 -7.336 154 HB2 ARG 18 1HB ARG 18 -10.003 -8.667 -9.443 155 HB3 ARG 18 2HB ARG 18 -8.559 -9.049 -10.349 156 HG2 ARG 18 1HG ARG 18 -8.751 -9.884 -7.480 157 HG3 ARG 18 2HG ARG 18 -9.618 -10.800 -8.714 158 HD2 ARG 18 1HD ARG 18 -7.488 -11.112 -9.935 159 HD3 ARG 18 2HD ARG 18 -6.619 -10.273 -8.654 160 HH11 ARG 18 1HH1 ARG 18 -5.976 -12.371 -10.357 161 HH12 ARG 18 2HH1 ARG 18 -5.237 -13.862 -9.978 162 HH21 ARG 18 1HH2 ARG 18 -6.839 -14.302 -6.872 163 HH22 ARG 18 2HH2 ARG 18 -5.734 -14.986 -7.976 164 H LEU 19 H LEU 19 -8.138 -7.736 -6.301 165 HA LEU 19 HA LEU 19 -10.563 -6.357 -5.778 166 HG LEU 19 HG LEU 19 -9.797 -9.220 -4.937 167 HB2 LEU 19 1HB LEU 19 -8.438 -7.437 -3.944 168 HB3 LEU 19 2HB LEU 19 -9.894 -6.634 -3.389 169 HD11 LEU 19 1HD1 LEU 19 -8.996 -9.339 -2.596 170 HD12 LEU 19 2HD1 LEU 19 -10.482 -10.253 -2.869 171 HD13 LEU 19 3HD1 LEU 19 -10.543 -8.685 -2.069 172 HD21 LEU 19 3HD2 LEU 19 -12.127 -7.719 -3.734 173 HD22 LEU 19 1HD2 LEU 19 -12.200 -9.340 -4.422 174 HD23 LEU 19 2HD2 LEU 19 -11.817 -7.965 -5.453 175 H LEU 20 H LEU 20 -7.130 -5.653 -5.850 176 HA LEU 20 HA LEU 20 -7.197 -3.115 -4.585 177 HG LEU 20 HG LEU 20 -4.707 -3.267 -3.918 178 HB2 LEU 20 1HB LEU 20 -5.367 -4.286 -6.666 179 HB3 LEU 20 2HB LEU 20 -5.235 -2.595 -6.241 180 HD11 LEU 20 1HD1 LEU 20 -4.924 -6.014 -5.071 181 HD12 LEU 20 2HD1 LEU 20 -5.711 -5.371 -3.638 182 HD13 LEU 20 3HD1 LEU 20 -3.953 -5.658 -3.669 183 HD21 LEU 20 3HD2 LEU 20 -2.946 -2.799 -5.481 184 HD22 LEU 20 1HD2 LEU 20 -2.984 -4.471 -6.033 185 HD23 LEU 20 2HD2 LEU 20 -2.476 -4.101 -4.384 186 H GLU 21 H GLU 21 -7.539 -4.137 -7.881 187 HA GLU 21 HA GLU 21 -8.180 -1.783 -9.134 188 HB2 GLU 21 1HB GLU 21 -9.080 -4.605 -9.522 189 HB3 GLU 21 2HB GLU 21 -9.607 -3.328 -10.599 190 HG2 GLU 21 1HG GLU 21 -6.762 -4.066 -10.027 191 HG3 GLU 21 2HG GLU 21 -7.643 -4.574 -11.462 192 H SER 22 H SER 22 -10.123 -3.786 -7.070 193 HA SER 22 HA SER 22 -12.564 -2.458 -7.606 194 HG SER 22 HG SER 22 -11.576 -5.223 -7.350 195 HB2 SER 22 1HB SER 22 -11.867 -4.241 -5.271 196 HB3 SER 22 2HB SER 22 -13.496 -3.793 -5.791 197 H TYR 23 H TYR 23 -10.083 -1.850 -5.025 198 HA TYR 23 HA TYR 23 -11.839 0.417 -4.248 199 HD1 TYR 23 2HD TYR 23 -8.278 -1.160 -4.107 200 HD2 TYR 23 1HD TYR 23 -9.272 0.580 -0.385 201 HE1 TYR 23 2HE TYR 23 -5.906 -1.260 -3.422 202 HE2 TYR 23 1HE TYR 23 -6.929 0.518 0.341 203 HH TYR 23 HH TYR 23 -4.386 -0.272 -1.853 204 HB2 TYR 23 1HB TYR 23 -10.767 0.719 -2.174 205 HB3 TYR 23 2HB TYR 23 -10.980 -0.982 -2.121 206 H MET 24 H MET 24 -9.931 -0.015 -6.470 207 HA MET 24 HA MET 24 -7.793 1.744 -6.243 208 HB2 MET 24 1HB MET 24 -8.020 -0.033 -7.979 209 HB3 MET 24 2HB MET 24 -9.164 0.995 -8.823 210 HG2 MET 24 1HG MET 24 -6.916 1.123 -9.785 211 HG3 MET 24 2HG MET 24 -7.460 2.680 -9.154 212 HE1 MET 24 3HE MET 24 -6.034 -0.461 -7.195 213 HE2 MET 24 1HE MET 24 -5.073 -0.396 -8.671 214 HE3 MET 24 2HE MET 24 -4.326 -0.035 -7.114 215 H ASP 25 H ASP 25 -11.113 2.457 -6.829 216 HA ASP 25 HA ASP 25 -10.805 5.062 -7.796 217 HB2 ASP 25 1HB ASP 25 -12.985 4.177 -7.751 218 HB3 ASP 25 2HB ASP 25 -12.925 3.870 -6.025 219 H CYS 26 H CYS 26 -10.649 3.768 -4.546 220 HA CYS 26 HA CYS 26 -10.314 6.265 -3.254 221 HB2 CYS 26 1HB CYS 26 -9.788 3.426 -2.409 222 HB3 CYS 26 2HB CYS 26 -9.229 4.747 -1.414 223 H VAL 27 H VAL 27 -8.062 3.900 -4.587 224 HA VAL 27 HA VAL 27 -5.836 5.476 -3.624 225 HB VAL 27 HB VAL 27 -5.785 3.149 -5.556 226 HG11 VAL 27 1HG1 VAL 27 -3.416 2.951 -4.949 227 HG12 VAL 27 2HG1 VAL 27 -3.763 4.503 -5.712 228 HG13 VAL 27 3HG1 VAL 27 -3.553 4.408 -3.963 229 HG21 VAL 27 3HG2 VAL 27 -5.348 3.217 -2.573 230 HG22 VAL 27 1HG2 VAL 27 -5.125 1.809 -3.611 231 HG23 VAL 27 2HG2 VAL 27 -6.731 2.511 -3.406 232 H LEU 28 H LEU 28 -7.018 4.729 -6.985 233 HA LEU 28 HA LEU 28 -5.335 6.943 -7.868 234 HG LEU 28 HG LEU 28 -5.677 6.734 -10.843 235 HB2 LEU 28 1HB LEU 28 -4.987 4.622 -8.795 236 HB3 LEU 28 2HB LEU 28 -6.544 4.786 -9.571 237 HD11 LEU 28 1HD1 LEU 28 -3.054 5.966 -9.554 238 HD12 LEU 28 2HD1 LEU 28 -3.936 7.476 -9.312 239 HD13 LEU 28 3HD1 LEU 28 -3.246 7.099 -10.894 240 HD21 LEU 28 3HD2 LEU 28 -5.656 4.501 -11.812 241 HD22 LEU 28 1HD2 LEU 28 -4.076 4.198 -11.083 242 HD23 LEU 28 2HD2 LEU 28 -4.250 5.434 -12.337 243 H GLY 29 H GLY 29 -8.591 5.751 -7.815 244 HA2 GLY 29 1HA GLY 29 -10.452 7.300 -7.942 245 HA3 GLY 29 2HA GLY 29 -9.498 8.281 -9.044 246 H LYS 30 H LYS 30 -9.886 4.791 -9.202 247 HA LYS 30 HA LYS 30 -10.727 5.038 -11.960 248 HB2 LYS 30 1HB LYS 30 -10.066 2.656 -10.285 249 HB3 LYS 30 2HB LYS 30 -10.697 2.510 -11.914 250 HG2 LYS 30 1HG LYS 30 -8.676 3.913 -12.616 251 HG3 LYS 30 2HG LYS 30 -8.086 3.621 -10.965 252 HD2 LYS 30 1HD LYS 30 -8.242 1.198 -11.325 253 HD3 LYS 30 2HD LYS 30 -8.850 1.468 -12.948 254 HE2 LYS 30 1HE LYS 30 -6.119 2.294 -11.961 255 HE3 LYS 30 2HE LYS 30 -6.468 0.859 -12.918 256 HZ1 LYS 30 3HZ LYS 30 -5.658 2.629 -14.301 257 HZ2 LYS 30 1HZ LYS 30 -6.881 3.665 -13.797 258 HZ3 LYS 30 2HZ LYS 30 -7.255 2.306 -14.704 259 H GLY 31 H GLY 31 -12.038 2.932 -9.364 260 HA2 GLY 31 1HA GLY 31 -14.513 2.903 -10.921 261 HA3 GLY 31 2HA GLY 31 -14.027 1.681 -9.769 262 H LYS 32 H LYS 32 -14.770 1.808 -7.753 263 HA LYS 32 HA LYS 32 -16.051 4.255 -6.893 264 HB2 LYS 32 1HB LYS 32 -17.996 2.924 -6.045 265 HB3 LYS 32 2HB LYS 32 -17.902 3.047 -7.792 266 HG2 LYS 32 1HG LYS 32 -16.947 0.760 -7.844 267 HG3 LYS 32 2HG LYS 32 -17.178 0.662 -6.094 268 HD2 LYS 32 1HD LYS 32 -19.554 1.009 -6.357 269 HD3 LYS 32 2HD LYS 32 -19.361 1.201 -8.099 270 HE2 LYS 32 1HE LYS 32 -18.517 -1.135 -8.201 271 HE3 LYS 32 2HE LYS 32 -18.848 -1.294 -6.477 272 HZ1 LYS 32 3HZ LYS 32 -21.190 -0.866 -6.929 273 HZ2 LYS 32 1HZ LYS 32 -20.651 -2.200 -7.810 274 HZ3 LYS 32 2HZ LYS 32 -20.870 -0.707 -8.570 275 H CYS 33 H CYS 33 -16.185 4.481 -4.660 276 HA CYS 33 HA CYS 33 -15.312 2.689 -2.744 277 HB2 CYS 33 1HB CYS 33 -13.170 3.207 -4.225 278 HB3 CYS 33 2HB CYS 33 -13.203 4.741 -3.334 279 H THR 34 H THR 34 -14.493 4.411 -0.716 280 HA THR 34 HA THR 34 -16.585 6.432 -0.965 281 HB THR 34 HB THR 34 -16.877 4.431 0.769 282 HG1 THR 34 1HG THR 34 -18.444 5.695 1.258 283 HG21 THR 34 3HG2 THR 34 -15.267 6.402 2.403 284 HG22 THR 34 1HG2 THR 34 -14.744 4.776 1.955 285 HG23 THR 34 2HG2 THR 34 -16.123 4.992 3.032 286 HA PRO 35 HA PRO 35 -13.713 9.788 -0.628 287 HB2 PRO 35 1HB PRO 35 -15.045 11.217 1.414 288 HB3 PRO 35 2HB PRO 35 -15.252 11.417 -0.328 289 HG2 PRO 35 1HG PRO 35 -16.849 9.778 1.594 290 HG3 PRO 35 2HG PRO 35 -17.413 10.736 0.203 291 HD2 PRO 35 1HD PRO 35 -17.298 8.119 0.062 292 HD3 PRO 35 2HD PRO 35 -16.710 9.086 -1.311 293 H GLU 36 H GLU 36 -14.908 8.894 2.602 294 HA GLU 36 HA GLU 36 -12.696 9.718 4.113 295 HB2 GLU 36 1HB GLU 36 -14.854 9.132 5.092 296 HB3 GLU 36 2HB GLU 36 -14.635 7.467 4.586 297 HG2 GLU 36 1HG GLU 36 -12.863 7.162 6.149 298 HG3 GLU 36 2HG GLU 36 -12.874 8.865 6.591 299 H GLY 37 H GLY 37 -13.406 6.710 2.524 300 HA2 GLY 37 1HA GLY 37 -11.185 5.243 3.448 301 HA3 GLY 37 2HA GLY 37 -12.157 4.880 2.029 302 H LYS 38 H LYS 38 -11.813 7.128 0.496 303 HA LYS 38 HA LYS 38 -9.481 6.631 -0.868 304 HB2 LYS 38 1HB LYS 38 -10.812 9.337 -0.842 305 HB3 LYS 38 2HB LYS 38 -9.821 8.654 -2.117 306 HG2 LYS 38 1HG LYS 38 -11.740 6.827 -2.184 307 HG3 LYS 38 2HG LYS 38 -12.635 8.073 -1.359 308 HD2 LYS 38 1HD LYS 38 -11.322 8.375 -4.055 309 HD3 LYS 38 2HD LYS 38 -13.039 8.224 -3.734 310 HE2 LYS 38 1HE LYS 38 -13.021 10.338 -2.513 311 HE3 LYS 38 2HE LYS 38 -11.283 10.484 -2.789 312 HZ1 LYS 38 3HZ LYS 38 -12.563 11.806 -4.368 313 HZ2 LYS 38 1HZ LYS 38 -13.372 10.426 -4.889 314 HZ3 LYS 38 2HZ LYS 38 -11.739 10.568 -5.179 315 H GLU 39 H GLU 39 -9.946 8.842 1.842 316 HA GLU 39 HA GLU 39 -7.460 10.147 1.237 317 HB2 GLU 39 1HB GLU 39 -9.256 10.481 3.634 318 HB3 GLU 39 2HB GLU 39 -7.890 11.508 3.216 319 HG2 GLU 39 1HG GLU 39 -9.054 12.026 1.067 320 HG3 GLU 39 2HG GLU 39 -10.453 11.166 1.707 321 H LEU 40 H LEU 40 -8.713 7.873 3.605 322 HA LEU 40 HA LEU 40 -6.246 7.849 4.938 323 HG LEU 40 HG LEU 40 -9.521 5.872 4.536 324 HB2 LEU 40 1HB LEU 40 -7.037 5.992 6.206 325 HB3 LEU 40 2HB LEU 40 -8.187 7.298 6.211 326 HD11 LEU 40 1HD1 LEU 40 -9.130 3.442 4.544 327 HD12 LEU 40 2HD1 LEU 40 -7.771 3.636 5.633 328 HD13 LEU 40 3HD1 LEU 40 -7.663 4.236 3.994 329 HD21 LEU 40 3HD2 LEU 40 -9.067 5.033 7.380 330 HD22 LEU 40 1HD2 LEU 40 -10.444 4.533 6.406 331 HD23 LEU 40 2HD2 LEU 40 -10.210 6.234 6.787 332 H LYS 41 H LYS 41 -7.596 5.862 2.419 333 HA LYS 41 HA LYS 41 -5.549 3.890 2.451 334 HB2 LYS 41 1HB LYS 41 -7.518 4.717 0.316 335 HB3 LYS 41 2HB LYS 41 -6.351 3.413 0.104 336 HG2 LYS 41 1HG LYS 41 -7.438 2.013 1.425 337 HG3 LYS 41 2HG LYS 41 -8.132 3.169 2.502 338 HD2 LYS 41 1HD LYS 41 -9.601 3.894 0.653 339 HD3 LYS 41 2HD LYS 41 -8.963 2.557 -0.302 340 HE2 LYS 41 1HE LYS 41 -9.709 1.003 1.456 341 HE3 LYS 41 2HE LYS 41 -10.300 2.377 2.363 342 HZ1 LYS 41 3HZ LYS 41 -11.988 2.783 0.865 343 HZ2 LYS 41 1HZ LYS 41 -11.974 1.120 1.009 344 HZ3 LYS 41 2HZ LYS 41 -11.329 1.894 -0.377 345 H ASP 42 H ASP 42 -6.000 6.919 0.730 346 HA ASP 42 HA ASP 42 -3.812 6.962 -0.940 347 HB2 ASP 42 1HB ASP 42 -5.303 8.769 -1.085 348 HB3 ASP 42 2HB ASP 42 -5.221 9.086 0.642 349 H HIS 43 H HIS 43 -3.966 8.050 2.408 350 HA HIS 43 HA HIS 43 -1.156 8.585 2.464 351 HD1 HIS 43 1HD HIS 43 -4.657 10.518 4.006 352 HD2 HIS 43 2HD HIS 43 -0.625 11.259 3.381 353 HE1 HIS 43 1HE HIS 43 -4.518 12.913 3.314 354 HE2 HIS 43 2HE HIS 43 -2.148 13.141 2.529 355 HB2 HIS 43 1HB HIS 43 -3.214 8.588 4.651 356 HB3 HIS 43 2HB HIS 43 -1.514 8.955 4.935 357 H LEU 44 H LEU 44 -3.096 5.885 3.441 358 HA LEU 44 HA LEU 44 -1.028 4.716 5.028 359 HG LEU 44 HG LEU 44 -1.744 2.425 6.013 360 HB2 LEU 44 1HB LEU 44 -3.388 4.449 5.568 361 HB3 LEU 44 2HB LEU 44 -3.650 3.629 4.053 362 HD11 LEU 44 1HD1 LEU 44 -4.754 2.373 6.142 363 HD12 LEU 44 2HD1 LEU 44 -3.679 3.070 7.356 364 HD13 LEU 44 3HD1 LEU 44 -3.695 1.327 7.075 365 HD21 LEU 44 3HD2 LEU 44 -3.781 1.337 4.044 366 HD22 LEU 44 1HD2 LEU 44 -2.726 0.353 5.060 367 HD23 LEU 44 2HD2 LEU 44 -2.045 1.390 3.811 368 H GLN 45 H GLN 45 -2.421 3.887 1.826 369 HA GLN 45 HA GLN 45 -0.483 1.871 1.432 370 HB2 GLN 45 1HB GLN 45 -2.235 3.294 -0.583 371 HB3 GLN 45 2HB GLN 45 -1.212 1.921 -0.970 372 HG2 GLN 45 1HG GLN 45 -3.580 1.922 0.911 373 HG3 GLN 45 2HG GLN 45 -3.518 1.203 -0.691 374 HE21 GLN 45 1HE2 GLN 45 -4.258 -0.252 1.677 375 HE22 GLN 45 2HE2 GLN 45 -3.049 -1.401 2.022 376 H GLU 46 H GLU 46 -0.469 5.296 0.940 377 HA GLU 46 HA GLU 46 1.905 5.491 -0.611 378 HB2 GLU 46 1HB GLU 46 0.363 7.365 -0.195 379 HB3 GLU 46 2HB GLU 46 0.794 7.342 1.502 380 HG2 GLU 46 1HG GLU 46 3.115 7.925 0.847 381 HG3 GLU 46 2HG GLU 46 2.557 8.094 -0.818 382 H ALA 47 H ALA 47 1.211 5.296 2.840 383 HA ALA 47 HA ALA 47 3.756 5.663 3.966 384 HB1 ALA 47 3HB ALA 47 1.511 3.918 4.953 385 HB2 ALA 47 1HB ALA 47 2.867 4.497 5.915 386 HB3 ALA 47 2HB ALA 47 1.680 5.647 5.280 387 H LEU 48 H LEU 48 2.233 2.937 2.579 388 HA LEU 48 HA LEU 48 3.881 0.881 3.273 389 HG LEU 48 HG LEU 48 3.875 -0.945 0.927 390 HB2 LEU 48 1HB LEU 48 1.941 0.297 2.194 391 HB3 LEU 48 2HB LEU 48 2.126 1.513 0.969 392 HD11 LEU 48 1HD1 LEU 48 2.142 -1.953 -0.520 393 HD12 LEU 48 2HD1 LEU 48 1.070 -0.598 -0.163 394 HD13 LEU 48 3HD1 LEU 48 1.561 -1.706 1.123 395 HD21 LEU 48 3HD2 LEU 48 4.379 0.948 -0.581 396 HD22 LEU 48 1HD2 LEU 48 2.740 0.870 -1.213 397 HD23 LEU 48 2HD2 LEU 48 3.851 -0.472 -1.485 398 H GLU 49 H GLU 49 4.628 3.432 0.908 399 HA GLU 49 HA GLU 49 7.274 2.224 0.821 400 HB2 GLU 49 1HB GLU 49 6.275 1.550 -1.261 401 HB3 GLU 49 2HB GLU 49 5.777 3.194 -1.617 402 HG2 GLU 49 1HG GLU 49 7.700 2.415 -2.950 403 HG3 GLU 49 2HG GLU 49 8.036 3.856 -2.008 404 H THR 50 H THR 50 6.181 5.208 -0.810 405 HA THR 50 HA THR 50 8.644 6.413 0.248 406 HB THR 50 HB THR 50 6.965 7.512 -2.014 407 HG1 THR 50 1HG THR 50 8.819 5.372 -1.964 408 HG21 THR 50 3HG2 THR 50 9.945 7.614 -1.450 409 HG22 THR 50 1HG2 THR 50 8.798 8.916 -1.109 410 HG23 THR 50 2HG2 THR 50 9.095 8.425 -2.771 411 H GLY 51 H GLY 51 5.701 6.229 1.246 412 HA2 GLY 51 1HA GLY 51 5.107 9.041 1.683 413 HA3 GLY 51 2HA GLY 51 4.197 7.637 2.261 414 H CYS 52 H CYS 52 4.127 7.515 4.202 415 HA CYS 52 HA CYS 52 6.587 7.739 5.635 416 HB2 CYS 52 1HB CYS 52 5.672 9.914 5.931 417 HB3 CYS 52 2HB CYS 52 4.105 9.266 6.383 418 H GLU 53 H GLU 53 6.697 5.609 6.159 419 HA GLU 53 HA GLU 53 4.422 4.073 7.014 420 HB2 GLU 53 1HB GLU 53 6.037 2.231 7.302 421 HB3 GLU 53 2HB GLU 53 6.163 2.984 5.723 422 HG2 GLU 53 1HG GLU 53 8.124 4.208 6.442 423 HG3 GLU 53 2HG GLU 53 7.987 3.515 8.053 424 H LYS 54 H LYS 54 6.875 5.875 8.566 425 HA LYS 54 HA LYS 54 6.291 4.557 11.092 426 HB2 LYS 54 1HB LYS 54 8.287 5.760 11.985 427 HB3 LYS 54 2HB LYS 54 8.622 4.700 10.646 428 HG2 LYS 54 1HG LYS 54 9.953 6.632 10.298 429 HG3 LYS 54 2HG LYS 54 8.637 6.736 9.139 430 HD2 LYS 54 1HD LYS 54 9.063 8.919 10.130 431 HD3 LYS 54 2HD LYS 54 7.482 8.325 10.645 432 HE2 LYS 54 1HE LYS 54 8.495 7.562 12.770 433 HE3 LYS 54 2HE LYS 54 10.040 8.227 12.243 434 HZ1 LYS 54 3HZ LYS 54 9.083 10.410 12.273 435 HZ2 LYS 54 1HZ LYS 54 8.828 9.679 13.754 436 HZ3 LYS 54 2HZ LYS 54 7.559 9.811 12.649 437 H CYS 55 H CYS 55 4.543 6.560 9.710 438 HA CYS 55 HA CYS 55 4.618 8.843 11.387 439 HB2 CYS 55 1HB CYS 55 2.939 8.039 9.138 440 HB3 CYS 55 2HB CYS 55 2.204 9.169 10.259 441 H THR 56 H THR 56 1.335 7.684 11.080 442 HA THR 56 HA THR 56 1.229 7.840 13.968 443 HB THR 56 HB THR 56 -1.265 7.857 13.475 444 HG1 THR 56 1HG THR 56 -0.779 8.786 10.928 445 HG21 THR 56 3HG2 THR 56 -0.036 9.907 14.040 446 HG22 THR 56 1HG2 THR 56 -1.253 10.236 12.807 447 HG23 THR 56 2HG2 THR 56 0.444 10.090 12.352 448 H GLU 57 H GLU 57 -0.499 6.317 14.889 449 HA GLU 57 HA GLU 57 0.383 3.703 14.715 450 HB2 GLU 57 1HB GLU 57 -1.512 3.059 16.084 451 HB3 GLU 57 2HB GLU 57 -0.892 4.598 16.644 452 HG2 GLU 57 1HG GLU 57 -3.384 4.183 14.983 453 HG3 GLU 57 2HG GLU 57 -3.336 4.510 16.709 454 H ALA 58 H ALA 58 -2.405 5.172 13.146 455 HA ALA 58 HA ALA 58 -3.325 2.841 11.874 456 HB1 ALA 58 3HB ALA 58 -3.723 5.681 10.951 457 HB2 ALA 58 1HB ALA 58 -4.705 4.278 10.535 458 HB3 ALA 58 2HB ALA 58 -4.693 4.878 12.190 459 H GLN 59 H GLN 59 -1.063 5.356 10.821 460 HA GLN 59 HA GLN 59 -0.854 4.145 8.255 461 HB2 GLN 59 1HB GLN 59 0.767 6.352 9.487 462 HB3 GLN 59 2HB GLN 59 1.170 5.642 7.928 463 HG2 GLN 59 1HG GLN 59 -1.177 6.210 7.200 464 HG3 GLN 59 2HG GLN 59 -1.320 7.142 8.686 465 HE21 GLN 59 1HE2 GLN 59 1.687 6.925 6.876 466 HE22 GLN 59 2HE2 GLN 59 1.661 8.530 6.292 467 H GLU 60 H GLU 60 1.183 4.059 11.141 468 HA GLU 60 HA GLU 60 3.118 2.481 9.887 469 HB2 GLU 60 1HB GLU 60 3.877 1.750 12.149 470 HB3 GLU 60 2HB GLU 60 3.762 3.488 11.953 471 HG2 GLU 60 1HG GLU 60 1.765 3.561 13.224 472 HG3 GLU 60 2HG GLU 60 1.666 1.800 13.276 473 H LYS 61 H LYS 61 0.373 1.340 11.919 474 HA LYS 61 HA LYS 61 0.951 -1.413 11.507 475 HB2 LYS 61 1HB LYS 61 -1.603 -0.027 12.305 476 HB3 LYS 61 2HB LYS 61 -1.440 -1.773 12.197 477 HG2 LYS 61 1HG LYS 61 0.306 -1.727 13.880 478 HG3 LYS 61 2HG LYS 61 0.168 0.027 13.998 479 HD2 LYS 61 1HD LYS 61 -1.030 -1.093 15.821 480 HD3 LYS 61 2HD LYS 61 -2.138 -0.199 14.784 481 HE2 LYS 61 1HE LYS 61 -3.059 -2.381 15.404 482 HE3 LYS 61 2HE LYS 61 -2.789 -2.292 13.672 483 HZ1 LYS 61 3HZ LYS 61 -0.735 -3.586 13.990 484 HZ2 LYS 61 1HZ LYS 61 -2.082 -4.410 14.555 485 HZ3 LYS 61 2HZ LYS 61 -1.043 -3.688 15.648 486 H GLY 62 H GLY 62 -0.713 0.921 9.776 487 HA2 GLY 62 1HA GLY 62 -2.198 -0.804 8.046 488 HA3 GLY 62 2HA GLY 62 -1.876 0.945 7.811 489 H ALA 63 H ALA 63 0.823 0.975 7.878 490 HA ALA 63 HA ALA 63 1.532 0.199 5.302 491 HB1 ALA 63 3HB ALA 63 3.338 0.868 7.627 492 HB2 ALA 63 1HB ALA 63 3.814 0.824 5.927 493 HB3 ALA 63 2HB ALA 63 2.661 2.035 6.492 494 H GLU 64 H GLU 64 2.228 -1.215 8.485 495 HA GLU 64 HA GLU 64 3.903 -3.305 7.793 496 HB2 GLU 64 1HB GLU 64 1.597 -3.645 9.711 497 HB3 GLU 64 2HB GLU 64 3.103 -4.535 9.709 498 HG2 GLU 64 1HG GLU 64 4.180 -2.210 10.181 499 HG3 GLU 64 2HG GLU 64 2.564 -1.730 10.513 500 H THR 65 H THR 65 0.397 -3.480 8.002 501 HA THR 65 HA THR 65 -0.060 -6.073 6.981 502 HB THR 65 HB THR 65 -1.920 -3.714 6.650 503 HG1 THR 65 1HG THR 65 -1.359 -3.457 8.798 504 HG21 THR 65 3HG2 THR 65 -2.371 -6.587 7.463 505 HG22 THR 65 1HG2 THR 65 -2.649 -5.930 5.852 506 HG23 THR 65 2HG2 THR 65 -3.620 -5.371 7.211 507 H SER 66 H SER 66 0.015 -2.959 5.323 508 HA SER 66 HA SER 66 -0.703 -4.081 2.886 509 HG SER 66 HG SER 66 -1.333 -1.339 4.499 510 HB2 SER 66 1HB SER 66 0.513 -1.389 3.468 511 HB3 SER 66 2HB SER 66 -0.317 -1.855 1.976 512 H ILE 67 H ILE 67 2.439 -3.128 4.156 513 HA ILE 67 HA ILE 67 3.952 -3.623 1.847 514 HB ILE 67 HB ILE 67 4.733 -3.740 4.782 515 HG12 ILE 67 1HG1 ILE 67 5.356 -1.546 2.809 516 HG13 ILE 67 2HG1 ILE 67 3.850 -1.563 3.721 517 HG21 ILE 67 1HG2 ILE 67 7.046 -3.471 3.992 518 HG22 ILE 67 2HG2 ILE 67 6.491 -3.626 2.329 519 HG23 ILE 67 3HG2 ILE 67 6.341 -4.991 3.438 520 HD11 ILE 67 3HD1 ILE 67 5.660 -0.147 4.679 521 HD12 ILE 67 1HD1 ILE 67 6.574 -1.630 5.009 522 HD13 ILE 67 2HD1 ILE 67 5.003 -1.361 5.778 523 H ASP 68 H ASP 68 2.898 -5.684 4.493 524 HA ASP 68 HA ASP 68 4.393 -7.976 4.004 525 HB2 ASP 68 1HB ASP 68 3.027 -7.702 6.023 526 HB3 ASP 68 2HB ASP 68 1.559 -7.749 5.058 527 H TYR 69 H TYR 69 1.047 -7.284 2.847 528 HA TYR 69 HA TYR 69 1.256 -9.660 1.244 529 HD1 TYR 69 1HD TYR 69 -0.975 -9.731 -1.247 530 HD2 TYR 69 2HD TYR 69 -1.515 -10.560 2.876 531 HE1 TYR 69 1HE TYR 69 -1.823 -11.977 -1.809 532 HE2 TYR 69 2HE TYR 69 -2.362 -12.793 2.335 533 HH TYR 69 HH TYR 69 -3.450 -13.850 0.445 534 HB2 TYR 69 1HB TYR 69 -1.041 -8.421 2.201 535 HB3 TYR 69 2HB TYR 69 -1.019 -7.951 0.500 536 H LEU 70 H LEU 70 1.811 -6.322 0.692 537 HA LEU 70 HA LEU 70 1.650 -6.141 -2.054 538 HG LEU 70 HG LEU 70 3.952 -4.760 -2.725 539 HB2 LEU 70 1HB LEU 70 2.043 -4.273 -0.547 540 HB3 LEU 70 2HB LEU 70 3.645 -4.895 -0.194 541 HD11 LEU 70 1HD1 LEU 70 2.812 -2.852 -3.782 542 HD12 LEU 70 2HD1 LEU 70 1.740 -2.755 -2.385 543 HD13 LEU 70 3HD1 LEU 70 1.743 -4.194 -3.394 544 HD21 LEU 70 3HD2 LEU 70 4.078 -2.423 -0.842 545 HD22 LEU 70 1HD2 LEU 70 4.775 -2.397 -2.468 546 HD23 LEU 70 2HD2 LEU 70 5.347 -3.561 -1.281 547 H ILE 71 H ILE 71 4.486 -6.874 -0.038 548 HA ILE 71 HA ILE 71 6.161 -7.358 -2.265 549 HB ILE 71 HB ILE 71 6.561 -8.086 0.659 550 HG12 ILE 71 1HG1 ILE 71 7.467 -5.717 -0.988 551 HG13 ILE 71 2HG1 ILE 71 6.237 -5.700 0.264 552 HG21 ILE 71 1HG2 ILE 71 8.598 -7.942 -1.577 553 HG22 ILE 71 2HG2 ILE 71 8.042 -9.420 -0.801 554 HG23 ILE 71 3HG2 ILE 71 8.961 -8.230 0.122 555 HD11 ILE 71 3HD1 ILE 71 7.967 -6.276 1.916 556 HD12 ILE 71 1HD1 ILE 71 8.288 -4.750 1.071 557 HD13 ILE 71 2HD1 ILE 71 9.165 -6.213 0.610 558 H LYS 72 H LYS 72 4.101 -9.370 -0.342 559 HA LYS 72 HA LYS 72 5.114 -11.854 -1.241 560 HB2 LYS 72 1HB LYS 72 2.482 -11.054 -0.063 561 HB3 LYS 72 2HB LYS 72 2.848 -12.716 -0.523 562 HG2 LYS 72 1HG LYS 72 4.640 -12.802 1.075 563 HG3 LYS 72 2HG LYS 72 4.433 -11.042 1.284 564 HD2 LYS 72 1HD LYS 72 2.577 -11.225 2.529 565 HD3 LYS 72 2HD LYS 72 2.080 -12.796 1.852 566 HE2 LYS 72 1HE LYS 72 3.776 -13.865 3.228 567 HE3 LYS 72 2HE LYS 72 4.368 -12.295 3.768 568 HZ1 LYS 72 3HZ LYS 72 2.940 -13.242 5.442 569 HZ2 LYS 72 1HZ LYS 72 1.685 -13.432 4.318 570 HZ3 LYS 72 2HZ LYS 72 2.194 -11.889 4.747 571 H ASN 73 H ASN 73 2.164 -10.098 -2.281 572 HA ASN 73 HA ASN 73 2.167 -11.931 -4.599 573 HB2 ASN 73 1HB ASN 73 0.329 -12.193 -2.884 574 HB3 ASN 73 2HB ASN 73 -0.268 -10.627 -3.405 575 HD21 ASN 73 1HD2 ASN 73 -1.534 -10.516 -5.340 576 HD22 ASN 73 2HD2 ASN 73 -1.880 -11.932 -6.222 577 H GLU 74 H GLU 74 1.857 -8.627 -3.599 578 HA GLU 74 HA GLU 74 0.949 -7.882 -6.302 579 HB2 GLU 74 1HB GLU 74 0.857 -6.224 -3.776 580 HB3 GLU 74 2HB GLU 74 0.158 -5.805 -5.325 581 HG2 GLU 74 1HG GLU 74 -0.704 -8.069 -3.528 582 HG3 GLU 74 2HG GLU 74 -1.583 -6.573 -3.844 583 H LEU 75 H LEU 75 3.388 -8.418 -6.567 584 HA LEU 75 HA LEU 75 5.365 -6.556 -5.730 585 HG LEU 75 HG LEU 75 7.291 -6.887 -8.170 586 HB2 LEU 75 1HB LEU 75 5.916 -8.842 -6.327 587 HB3 LEU 75 2HB LEU 75 5.435 -8.546 -7.985 588 HD11 LEU 75 1HD1 LEU 75 9.072 -6.925 -6.497 589 HD12 LEU 75 2HD1 LEU 75 8.076 -7.950 -5.464 590 HD13 LEU 75 3HD1 LEU 75 7.562 -6.306 -5.839 591 HD21 LEU 75 3HD2 LEU 75 7.562 -9.155 -8.992 592 HD22 LEU 75 1HD2 LEU 75 8.079 -9.691 -7.393 593 HD23 LEU 75 2HD2 LEU 75 9.076 -8.560 -8.310 594 H GLU 76 H GLU 76 3.392 -6.749 -8.641 595 HA GLU 76 HA GLU 76 4.920 -4.727 -9.988 596 HB2 GLU 76 1HB GLU 76 3.160 -4.802 -11.746 597 HB3 GLU 76 2HB GLU 76 3.836 -6.377 -11.401 598 HG2 GLU 76 1HG GLU 76 1.245 -5.434 -10.207 599 HG3 GLU 76 2HG GLU 76 1.335 -6.226 -11.776 600 H ILE 77 H ILE 77 2.284 -4.872 -7.868 601 HA ILE 77 HA ILE 77 1.234 -2.293 -8.365 602 HB ILE 77 HB ILE 77 1.187 -3.963 -5.840 603 HG12 ILE 77 1HG1 ILE 77 0.157 -5.086 -7.773 604 HG13 ILE 77 2HG1 ILE 77 -1.047 -4.662 -6.553 605 HG21 ILE 77 1HG2 ILE 77 0.735 -1.624 -5.336 606 HG22 ILE 77 2HG2 ILE 77 -0.726 -2.593 -5.146 607 HG23 ILE 77 3HG2 ILE 77 -0.518 -1.582 -6.577 608 HD11 ILE 77 3HD1 ILE 77 -1.740 -2.764 -7.919 609 HD12 ILE 77 1HD1 ILE 77 -1.877 -4.283 -8.801 610 HD13 ILE 77 2HD1 ILE 77 -0.535 -3.190 -9.142 611 H TRP 78 H TRP 78 3.707 -3.609 -6.215 612 HA TRP 78 HA TRP 78 4.470 -1.270 -4.892 613 HD1 TRP 78 HD TRP 78 6.470 -1.217 -2.730 614 HE1 TRP 78 1HE TRP 78 8.880 -0.359 -2.592 615 HE3 TRP 78 3HE TRP 78 8.348 -3.425 -6.956 616 HZ2 TRP 78 2HZ TRP 78 11.279 -0.609 -4.066 617 HZ3 TRP 78 3HZ TRP 78 10.718 -3.059 -7.509 618 HH2 TRP 78 HH TRP 78 12.147 -1.677 -6.093 619 HB2 TRP 78 1HB TRP 78 5.439 -3.408 -4.209 620 HB3 TRP 78 2HB TRP 78 6.184 -3.611 -5.787 621 H LYS 79 H LYS 79 5.563 -2.606 -7.959 622 HA LYS 79 HA LYS 79 7.480 -0.749 -8.659 623 HB2 LYS 79 1HB LYS 79 5.566 -2.236 -10.450 624 HB3 LYS 79 2HB LYS 79 6.916 -1.283 -11.049 625 HG2 LYS 79 1HG LYS 79 8.490 -2.754 -9.954 626 HG3 LYS 79 2HG LYS 79 7.176 -3.651 -9.195 627 HD2 LYS 79 1HD LYS 79 8.019 -4.887 -11.120 628 HD3 LYS 79 2HD LYS 79 6.379 -4.336 -11.431 629 HE2 LYS 79 1HE LYS 79 7.673 -3.996 -13.422 630 HE3 LYS 79 2HE LYS 79 7.327 -2.426 -12.724 631 HZ1 LYS 79 3HZ LYS 79 9.606 -2.636 -13.505 632 HZ2 LYS 79 1HZ LYS 79 9.885 -3.900 -12.439 633 HZ3 LYS 79 2HZ LYS 79 9.594 -2.347 -11.845 634 H GLU 80 H GLU 80 3.972 -0.524 -9.200 635 HA GLU 80 HA GLU 80 4.146 1.896 -10.634 636 HB2 GLU 80 1HB GLU 80 1.811 0.579 -9.285 637 HB3 GLU 80 2HB GLU 80 1.671 2.104 -10.149 638 HG2 GLU 80 1HG GLU 80 2.624 0.954 -12.143 639 HG3 GLU 80 2HG GLU 80 2.489 -0.560 -11.258 640 H LEU 81 H LEU 81 3.458 1.321 -7.196 641 HA LEU 81 HA LEU 81 2.994 4.071 -6.642 642 HG LEU 81 HG LEU 81 1.709 2.142 -3.688 643 HB2 LEU 81 1HB LEU 81 3.769 1.811 -4.768 644 HB3 LEU 81 2HB LEU 81 3.621 3.452 -4.248 645 HD11 LEU 81 1HD1 LEU 81 -0.047 3.687 -4.521 646 HD12 LEU 81 2HD1 LEU 81 1.102 4.319 -5.698 647 HD13 LEU 81 3HD1 LEU 81 1.405 4.522 -3.966 648 HD21 LEU 81 3HD2 LEU 81 0.049 1.452 -5.383 649 HD22 LEU 81 1HD2 LEU 81 1.578 0.584 -5.539 650 HD23 LEU 81 2HD2 LEU 81 1.189 1.904 -6.647 651 H THR 82 H THR 82 5.833 2.066 -6.175 652 HA THR 82 HA THR 82 7.572 4.130 -5.373 653 HB THR 82 HB THR 82 8.350 1.643 -6.902 654 HG1 THR 82 1HG THR 82 8.418 0.891 -4.506 655 HG21 THR 82 3HG2 THR 82 9.690 3.165 -4.646 656 HG22 THR 82 1HG2 THR 82 10.135 3.294 -6.353 657 HG23 THR 82 2HG2 THR 82 10.349 1.760 -5.496 658 H ALA 83 H ALA 83 6.829 3.022 -8.678 659 HA ALA 83 HA ALA 83 8.742 4.770 -9.826 660 HB1 ALA 83 3HB ALA 83 7.812 2.871 -11.075 661 HB2 ALA 83 1HB ALA 83 6.235 3.656 -11.088 662 HB3 ALA 83 2HB ALA 83 7.588 4.387 -11.951 663 H HIS 84 H HIS 84 5.589 5.271 -8.593 664 HA HIS 84 HA HIS 84 5.208 7.758 -9.995 665 HD1 HIS 84 1HD HIS 84 1.293 7.667 -7.296 666 HD2 HIS 84 2HD HIS 84 3.480 9.490 -10.328 667 HE1 HIS 84 1HE HIS 84 0.163 9.842 -7.722 668 HE2 HIS 84 2HE HIS 84 1.403 10.837 -9.692 669 HB2 HIS 84 1HB HIS 84 3.291 6.273 -9.491 670 HB3 HIS 84 2HB HIS 84 3.562 6.513 -7.773 671 H PHE 85 H PHE 85 6.538 6.754 -6.955 672 HA PHE 85 HA PHE 85 6.530 9.568 -6.136 673 HD1 PHE 85 2HD PHE 85 4.919 10.452 -4.562 674 HD2 PHE 85 1HD PHE 85 4.517 6.230 -4.237 675 HE1 PHE 85 2HE PHE 85 2.490 10.703 -4.382 676 HE2 PHE 85 1HE PHE 85 2.079 6.477 -4.058 677 HZ PHE 85 HZ PHE 85 1.062 8.713 -4.130 678 HB2 PHE 85 1HB PHE 85 6.625 7.142 -4.353 679 HB3 PHE 85 2HB PHE 85 6.837 8.798 -3.793 680 H ASP 86 H ASP 86 8.661 6.696 -5.976 681 HA ASP 86 HA ASP 86 10.879 8.540 -6.312 682 HB2 ASP 86 1HB ASP 86 10.808 7.920 -3.870 683 HB3 ASP 86 2HB ASP 86 10.992 6.231 -4.343 684 HA PRO 87 HA PRO 87 10.762 5.141 -9.242 685 HB2 PRO 87 1HB PRO 87 11.359 6.489 -11.462 686 HB3 PRO 87 2HB PRO 87 9.788 6.579 -10.604 687 HG2 PRO 87 1HG PRO 87 12.086 8.508 -10.446 688 HG3 PRO 87 2HG PRO 87 10.372 8.862 -10.755 689 HD2 PRO 87 1HD PRO 87 11.536 9.020 -8.293 690 HD3 PRO 87 2HD PRO 87 9.815 8.646 -8.537 691 H ASP 88 H ASP 88 13.259 6.887 -7.977 692 HA ASP 88 HA ASP 88 15.437 5.717 -9.476 693 HB2 ASP 88 1HB ASP 88 15.403 7.009 -6.739 694 HB3 ASP 88 2HB ASP 88 16.849 6.537 -7.616 695 H GLY 89 H GLY 89 13.346 4.901 -6.867 696 HA2 GLY 89 1HA GLY 89 13.117 2.976 -5.644 697 HA3 GLY 89 2HA GLY 89 14.346 2.235 -6.673 698 H LYS 90 H LYS 90 14.569 5.175 -4.775 699 HA LYS 90 HA LYS 90 17.162 4.487 -3.904 700 HB2 LYS 90 1HB LYS 90 16.463 6.805 -4.318 701 HB3 LYS 90 2HB LYS 90 15.314 6.700 -2.997 702 HG2 LYS 90 1HG LYS 90 17.315 7.915 -2.345 703 HG3 LYS 90 2HG LYS 90 17.134 6.431 -1.407 704 HD2 LYS 90 1HD LYS 90 19.421 6.549 -2.011 705 HD3 LYS 90 2HD LYS 90 18.702 5.336 -3.014 706 HE2 LYS 90 1HE LYS 90 20.174 6.732 -4.353 707 HE3 LYS 90 2HE LYS 90 18.509 6.888 -4.901 708 HZ1 LYS 90 3HZ LYS 90 19.621 9.006 -4.841 709 HZ2 LYS 90 1HZ LYS 90 19.998 8.846 -3.211 710 HZ3 LYS 90 2HZ LYS 90 18.399 9.031 -3.706 711 H TRP 91 H TRP 91 14.048 3.989 -2.659 712 HA TRP 91 HA TRP 91 15.071 3.394 -0.015 713 HD1 TRP 91 HD TRP 91 12.292 5.945 -1.979 714 HE1 TRP 91 1HE TRP 91 12.507 8.239 -0.870 715 HE3 TRP 91 3HE TRP 91 13.837 4.457 2.664 716 HZ2 TRP 91 2HZ TRP 91 13.227 9.298 1.648 717 HZ3 TRP 91 3HZ TRP 91 14.265 6.178 4.366 718 HH2 TRP 91 HH TRP 91 13.970 8.549 3.866 719 HB2 TRP 91 1HB TRP 91 12.205 3.485 -1.008 720 HB3 TRP 91 2HB TRP 91 12.700 3.241 0.661 721 H ARG 92 H ARG 92 15.629 1.825 -2.346 722 HA ARG 92 HA ARG 92 14.234 -0.635 -2.398 723 HE ARG 92 HE ARG 92 19.731 1.183 -2.793 724 HB2 ARG 92 1HB ARG 92 16.365 -1.589 -3.315 725 HB3 ARG 92 2HB ARG 92 15.892 -0.090 -4.115 726 HG2 ARG 92 1HG ARG 92 17.456 1.158 -2.796 727 HG3 ARG 92 2HG ARG 92 17.873 -0.278 -1.878 728 HD2 ARG 92 1HD ARG 92 18.770 -1.281 -3.918 729 HD3 ARG 92 2HD ARG 92 18.410 0.220 -4.795 730 HH11 ARG 92 1HH1 ARG 92 20.529 -1.634 -4.802 731 HH12 ARG 92 2HH1 ARG 92 22.202 -1.582 -4.525 732 HH21 ARG 92 1HH2 ARG 92 22.077 1.282 -2.404 733 HH22 ARG 92 2HH2 ARG 92 23.124 0.146 -3.116 734 H LYS 93 H LYS 93 16.729 0.623 -0.329 735 HA LYS 93 HA LYS 93 17.197 -1.787 1.096 736 HB2 LYS 93 1HB LYS 93 18.978 -0.206 0.951 737 HB3 LYS 93 2HB LYS 93 17.965 1.070 1.601 738 HG2 LYS 93 1HG LYS 93 18.020 0.143 3.796 739 HG3 LYS 93 2HG LYS 93 18.654 -1.386 3.196 740 HD2 LYS 93 1HD LYS 93 20.197 1.177 2.965 741 HD3 LYS 93 2HD LYS 93 20.279 0.166 4.405 742 HE2 LYS 93 1HE LYS 93 20.888 -0.761 1.603 743 HE3 LYS 93 2HE LYS 93 22.102 -0.298 2.792 744 HZ1 LYS 93 3HZ LYS 93 20.219 -2.640 3.044 745 HZ2 LYS 93 1HZ LYS 93 21.326 -2.112 4.214 746 HZ3 LYS 93 2HZ LYS 93 21.873 -2.659 2.734 747 H LYS 94 H LYS 94 14.893 0.777 1.351 748 HA LYS 94 HA LYS 94 14.269 0.097 4.056 749 HB2 LYS 94 1HB LYS 94 13.927 2.416 2.993 750 HB3 LYS 94 2HB LYS 94 12.509 1.722 2.220 751 HG2 LYS 94 1HG LYS 94 11.827 2.901 4.206 752 HG3 LYS 94 2HG LYS 94 11.604 1.168 4.465 753 HD2 LYS 94 1HD LYS 94 13.725 1.084 5.717 754 HD3 LYS 94 2HD LYS 94 13.959 2.804 5.426 755 HE2 LYS 94 1HE LYS 94 13.134 2.487 7.657 756 HE3 LYS 94 2HE LYS 94 11.868 3.239 6.692 757 HZ1 LYS 94 3HZ LYS 94 12.005 0.337 7.416 758 HZ2 LYS 94 1HZ LYS 94 10.773 1.081 6.501 759 HZ3 LYS 94 2HZ LYS 94 10.973 1.507 8.073 760 H TYR 95 H TYR 95 13.042 -0.518 0.822 761 HA TYR 95 HA TYR 95 10.829 -2.140 1.319 762 HD1 TYR 95 1HD TYR 95 13.083 -4.827 -0.980 763 HD2 TYR 95 2HD TYR 95 9.480 -2.639 -1.562 764 HE1 TYR 95 1HE TYR 95 12.117 -6.749 -2.165 765 HE2 TYR 95 2HE TYR 95 8.504 -4.565 -2.739 766 HH TYR 95 HH TYR 95 9.289 -6.526 -4.004 767 HB2 TYR 95 1HB TYR 95 11.519 -1.496 -0.939 768 HB3 TYR 95 2HB TYR 95 13.029 -2.358 -0.759 769 H GLU 96 H GLU 96 14.218 -3.026 1.026 770 HA GLU 96 HA GLU 96 14.326 -5.674 1.781 771 HB2 GLU 96 1HB GLU 96 16.204 -4.390 0.935 772 HB3 GLU 96 2HB GLU 96 16.165 -3.345 2.334 773 HG2 GLU 96 1HG GLU 96 16.873 -5.277 3.723 774 HG3 GLU 96 2HG GLU 96 17.019 -6.227 2.239 775 H ASP 97 H ASP 97 14.638 -2.824 3.820 776 HA ASP 97 HA ASP 97 14.891 -3.926 6.346 777 HB2 ASP 97 1HB ASP 97 15.324 -1.582 5.924 778 HB3 ASP 97 2HB ASP 97 13.644 -1.322 5.493 779 H ARG 98 H ARG 98 11.929 -2.752 4.830 780 HA ARG 98 HA ARG 98 10.146 -3.327 6.934 781 HE ARG 98 HE ARG 98 9.264 1.122 4.185 782 HB2 ARG 98 1HB ARG 98 9.512 -3.317 3.979 783 HB3 ARG 98 2HB ARG 98 8.395 -3.117 5.325 784 HG2 ARG 98 1HG ARG 98 9.147 -0.952 5.784 785 HG3 ARG 98 2HG ARG 98 10.629 -1.177 4.845 786 HD2 ARG 98 1HD ARG 98 9.203 -1.450 2.818 787 HD3 ARG 98 2HD ARG 98 7.811 -0.968 3.762 788 HH11 ARG 98 1HH1 ARG 98 8.895 -0.723 1.171 789 HH12 ARG 98 2HH1 ARG 98 9.319 0.573 0.153 790 HH21 ARG 98 1HH2 ARG 98 9.891 2.918 2.717 791 HH22 ARG 98 2HH2 ARG 98 9.862 2.615 1.028 792 H ALA 99 H ALA 99 10.869 -5.170 3.952 793 HA ALA 99 HA ALA 99 9.127 -7.288 4.342 794 HB1 ALA 99 3HB ALA 99 10.207 -6.757 2.230 795 HB2 ALA 99 1HB ALA 99 11.759 -7.229 2.903 796 HB3 ALA 99 2HB ALA 99 10.494 -8.439 2.678 797 H LYS 100 H LYS 100 12.547 -6.938 5.201 798 HA LYS 100 HA LYS 100 12.714 -9.606 6.107 799 HB2 LYS 100 1HB LYS 100 14.614 -8.079 5.241 800 HB3 LYS 100 2HB LYS 100 14.649 -7.429 6.871 801 HG2 LYS 100 1HG LYS 100 16.352 -9.134 6.603 802 HG3 LYS 100 2HG LYS 100 15.121 -9.679 7.745 803 HD2 LYS 100 1HD LYS 100 14.034 -10.971 5.954 804 HD3 LYS 100 2HD LYS 100 15.269 -10.428 4.819 805 HE2 LYS 100 1HE LYS 100 16.952 -11.612 6.046 806 HE3 LYS 100 2HE LYS 100 15.785 -12.031 7.310 807 HZ1 LYS 100 3HZ LYS 100 14.582 -13.361 5.711 808 HZ2 LYS 100 1HZ LYS 100 16.179 -13.870 5.743 809 HZ3 LYS 100 2HZ LYS 100 15.625 -12.934 4.471 810 H ALA 101 H ALA 101 12.032 -6.537 7.642 811 HA ALA 101 HA ALA 101 12.306 -7.449 10.316 812 HB1 ALA 101 3HB ALA 101 12.391 -5.055 9.723 813 HB2 ALA 101 1HB ALA 101 10.681 -5.117 9.304 814 HB3 ALA 101 2HB ALA 101 11.188 -5.396 10.968 815 H LYS 102 H LYS 102 9.481 -7.081 8.192 816 HA LYS 102 HA LYS 102 7.704 -7.975 10.240 817 HB2 LYS 102 1HB LYS 102 7.251 -7.651 7.282 818 HB3 LYS 102 2HB LYS 102 5.994 -8.085 8.423 819 HG2 LYS 102 1HG LYS 102 7.569 -5.516 8.367 820 HG3 LYS 102 2HG LYS 102 5.887 -5.731 7.899 821 HD2 LYS 102 1HD LYS 102 7.033 -6.076 10.695 822 HD3 LYS 102 2HD LYS 102 6.058 -4.725 10.133 823 HE2 LYS 102 1HE LYS 102 4.148 -6.242 9.790 824 HE3 LYS 102 2HE LYS 102 5.141 -7.597 10.304 825 HZ1 LYS 102 3HZ LYS 102 5.348 -6.627 12.479 826 HZ2 LYS 102 1HZ LYS 102 3.718 -6.766 12.115 827 HZ3 LYS 102 2HZ LYS 102 4.486 -5.265 12.040 828 H GLY 103 H GLY 103 9.424 -9.556 7.706 829 HA2 GLY 103 1HA GLY 103 9.983 -11.893 8.169 830 HA3 GLY 103 2HA GLY 103 8.349 -12.080 8.791 831 H ILE 104 H ILE 104 9.558 -10.592 5.845 832 HA ILE 104 HA ILE 104 7.859 -12.409 4.300 833 HB ILE 104 HB ILE 104 9.228 -9.811 3.501 834 HG12 ILE 104 1HG1 ILE 104 7.318 -9.402 5.036 835 HG13 ILE 104 2HG1 ILE 104 6.969 -8.817 3.410 836 HG21 ILE 104 1HG2 ILE 104 7.267 -11.468 1.902 837 HG22 ILE 104 2HG2 ILE 104 9.004 -11.332 1.603 838 HG23 ILE 104 3HG2 ILE 104 7.967 -9.915 1.437 839 HD11 ILE 104 3HD1 ILE 104 5.083 -9.891 4.436 840 HD12 ILE 104 1HD1 ILE 104 6.033 -11.358 4.668 841 HD13 ILE 104 2HD1 ILE 104 5.650 -10.806 3.036 842 H VAL 105 H VAL 105 8.913 -14.056 3.389 843 HA VAL 105 HA VAL 105 11.709 -14.255 3.507 844 HB VAL 105 HB VAL 105 10.441 -16.303 3.663 845 HG11 VAL 105 1HG1 VAL 105 9.156 -17.249 1.815 846 HG12 VAL 105 2HG1 VAL 105 8.482 -15.716 2.373 847 HG13 VAL 105 3HG1 VAL 105 9.432 -15.776 0.886 848 HG21 VAL 105 3HG2 VAL 105 11.971 -16.275 1.062 849 HG22 VAL 105 1HG2 VAL 105 11.532 -17.720 1.974 850 HG23 VAL 105 2HG2 VAL 105 12.648 -16.546 2.666 851 H ILE 106 H ILE 106 12.999 -13.094 2.406 852 HA ILE 106 HA ILE 106 12.667 -12.924 -0.496 853 HB ILE 106 HB ILE 106 13.330 -10.620 -0.570 854 HG12 ILE 106 1HG1 ILE 106 14.168 -10.959 2.328 855 HG13 ILE 106 2HG1 ILE 106 15.084 -10.523 0.949 856 HG21 ILE 106 1HG2 ILE 106 11.352 -10.826 1.676 857 HG22 ILE 106 2HG2 ILE 106 10.997 -10.819 -0.051 858 HG23 ILE 106 3HG2 ILE 106 11.664 -9.379 0.715 859 HD11 ILE 106 3HD1 ILE 106 14.117 -8.346 0.764 860 HD12 ILE 106 1HD1 ILE 106 14.728 -8.577 2.405 861 HD13 ILE 106 2HD1 ILE 106 12.996 -8.696 2.077 862 HA PRO 107 HA PRO 107 16.960 -14.168 -0.725 863 HB2 PRO 107 1HB PRO 107 17.458 -11.462 -1.879 864 HB3 PRO 107 2HB PRO 107 18.029 -13.053 -2.393 865 HG2 PRO 107 1HG PRO 107 16.043 -11.937 -3.699 866 HG3 PRO 107 2HG PRO 107 15.947 -13.657 -3.265 867 HD2 PRO 107 1HD PRO 107 14.617 -11.311 -1.997 868 HD3 PRO 107 2HD PRO 107 13.978 -12.944 -2.286 869 H GLU 108 H GLU 108 18.239 -14.216 1.043 870 HA GLU 108 HA GLU 108 19.091 -11.660 2.105 871 HB2 GLU 108 1HB GLU 108 19.556 -12.832 4.285 872 HB3 GLU 108 2HB GLU 108 17.861 -12.747 3.870 873 HG2 GLU 108 1HG GLU 108 17.879 -15.084 3.206 874 HG3 GLU 108 2HG GLU 108 19.612 -15.176 3.519 Start of MODEL 6 1 HA TYR 1 HA TYR 1 -21.013 -2.926 3.842 2 HD1 TYR 1 1HD TYR 1 -23.376 -3.077 2.577 3 HD2 TYR 1 2HD TYR 1 -24.045 -2.070 6.653 4 HE1 TYR 1 1HE TYR 1 -25.182 -4.737 2.679 5 HE2 TYR 1 2HE TYR 1 -25.864 -3.731 6.762 6 HH TYR 1 HH TYR 1 -27.400 -4.862 5.182 7 H1 TYR 1 1HT TYR 1 -21.700 -3.440 6.105 8 H2 TYR 1 2HT TYR 1 -20.723 -2.177 6.660 9 H3 TYR 1 3HT TYR 1 -20.051 -3.479 5.808 10 HB2 TYR 1 1HB TYR 1 -22.529 -0.786 5.366 11 HB3 TYR 1 2HB TYR 1 -22.518 -0.925 3.609 12 H THR 2 H THR 2 -18.768 -2.053 5.781 13 HA THR 2 HA THR 2 -17.772 0.097 4.102 14 HB THR 2 HB THR 2 -16.124 0.231 6.118 15 HG1 THR 2 1HG THR 2 -16.901 -0.611 8.032 16 HG21 THR 2 3HG2 THR 2 -17.667 1.673 7.390 17 HG22 THR 2 1HG2 THR 2 -19.028 0.994 6.502 18 HG23 THR 2 2HG2 THR 2 -17.818 1.955 5.656 19 H ASP 3 H ASP 3 -18.041 -2.859 3.925 20 HA ASP 3 HA ASP 3 -15.440 -4.097 4.183 21 HB2 ASP 3 1HB ASP 3 -18.043 -5.245 3.175 22 HB3 ASP 3 2HB ASP 3 -16.639 -6.111 3.778 23 H LYS 4 H LYS 4 -14.146 -3.885 2.516 24 HA LYS 4 HA LYS 4 -13.208 -3.822 0.477 25 HB2 LYS 4 1HB LYS 4 -15.709 -5.263 -0.395 26 HB3 LYS 4 2HB LYS 4 -14.397 -4.911 -1.506 27 HG2 LYS 4 1HG LYS 4 -12.873 -6.222 -0.069 28 HG3 LYS 4 2HG LYS 4 -14.240 -6.613 0.976 29 HD2 LYS 4 1HD LYS 4 -15.365 -7.715 -0.884 30 HD3 LYS 4 2HD LYS 4 -14.041 -7.285 -1.961 31 HE2 LYS 4 1HE LYS 4 -13.827 -9.598 -1.272 32 HE3 LYS 4 2HE LYS 4 -12.511 -8.648 -0.593 33 HZ1 LYS 4 3HZ LYS 4 -14.956 -9.503 0.867 34 HZ2 LYS 4 1HZ LYS 4 -13.697 -8.625 1.544 35 HZ3 LYS 4 2HZ LYS 4 -13.447 -10.192 1.013 36 H TYR 5 H TYR 5 -12.780 -2.342 -0.973 37 HA TYR 5 HA TYR 5 -12.720 -0.296 -1.714 38 HD1 TYR 5 1HD TYR 5 -14.501 -3.153 -3.817 39 HD2 TYR 5 2HD TYR 5 -16.938 0.224 -2.958 40 HE1 TYR 5 1HE TYR 5 -16.501 -4.498 -4.248 41 HE2 TYR 5 2HE TYR 5 -18.951 -1.123 -3.382 42 HH TYR 5 HH TYR 5 -18.865 -4.437 -3.528 43 HB2 TYR 5 1HB TYR 5 -14.558 0.470 -3.344 44 HB3 TYR 5 2HB TYR 5 -13.580 -0.816 -3.835 45 H ASP 6 H ASP 6 -15.196 -0.627 0.427 46 HA ASP 6 HA ASP 6 -15.765 2.165 0.417 47 HB2 ASP 6 1HB ASP 6 -16.560 -0.046 2.291 48 HB3 ASP 6 2HB ASP 6 -16.941 1.640 2.621 49 H LYS 7 H LYS 7 -13.912 0.043 2.595 50 HA LYS 7 HA LYS 7 -12.418 2.267 3.588 51 HB2 LYS 7 1HB LYS 7 -14.648 1.359 5.408 52 HB3 LYS 7 2HB LYS 7 -13.208 2.151 6.013 53 HG2 LYS 7 1HG LYS 7 -13.755 4.135 4.663 54 HG3 LYS 7 2HG LYS 7 -15.207 3.328 4.080 55 HD2 LYS 7 1HD LYS 7 -15.719 4.893 5.897 56 HD3 LYS 7 2HD LYS 7 -16.078 3.233 6.369 57 HE2 LYS 7 1HE LYS 7 -14.011 3.113 7.626 58 HE3 LYS 7 2HE LYS 7 -13.555 4.729 7.087 59 HZ1 LYS 7 3HZ LYS 7 -15.363 5.649 8.281 60 HZ2 LYS 7 1HZ LYS 7 -14.484 4.683 9.337 61 HZ3 LYS 7 2HZ LYS 7 -15.960 4.133 8.736 62 H ILE 8 H ILE 8 -13.572 -0.420 5.595 63 HA ILE 8 HA ILE 8 -10.838 -0.951 6.324 64 HB ILE 8 HB ILE 8 -11.889 -2.643 7.908 65 HG12 ILE 8 1HG1 ILE 8 -14.439 -1.221 7.085 66 HG13 ILE 8 2HG1 ILE 8 -14.036 -2.876 6.646 67 HG21 ILE 8 1HG2 ILE 8 -12.624 -0.898 9.475 68 HG22 ILE 8 2HG2 ILE 8 -12.649 0.258 8.141 69 HG23 ILE 8 3HG2 ILE 8 -11.126 -0.472 8.647 70 HD11 ILE 8 3HD1 ILE 8 -14.090 -3.504 8.994 71 HD12 ILE 8 1HD1 ILE 8 -15.611 -2.761 8.504 72 HD13 ILE 8 2HD1 ILE 8 -14.439 -1.833 9.445 73 H ASN 9 H ASN 9 -10.493 -1.556 4.136 74 HA ASN 9 HA ASN 9 -10.742 -4.476 3.839 75 HB2 ASN 9 1HB ASN 9 -11.342 -4.167 1.510 76 HB3 ASN 9 2HB ASN 9 -12.526 -3.464 2.606 77 HD21 ASN 9 1HD2 ASN 9 -9.739 -2.593 0.686 78 HD22 ASN 9 2HD2 ASN 9 -10.187 -1.020 0.256 79 H LEU 10 H LEU 10 -8.354 -2.503 4.391 80 HA LEU 10 HA LEU 10 -7.280 -2.135 1.810 81 HG LEU 10 HG LEU 10 -7.738 -0.053 2.882 82 HB2 LEU 10 1HB LEU 10 -5.837 -1.719 4.430 83 HB3 LEU 10 2HB LEU 10 -5.323 -1.183 2.852 84 HD11 LEU 10 1HD1 LEU 10 -8.098 1.035 5.051 85 HD12 LEU 10 2HD1 LEU 10 -6.963 -0.107 5.773 86 HD13 LEU 10 3HD1 LEU 10 -8.454 -0.681 5.028 87 HD21 LEU 10 3HD2 LEU 10 -5.680 1.073 2.359 88 HD22 LEU 10 1HD2 LEU 10 -5.264 1.143 4.079 89 HD23 LEU 10 2HD2 LEU 10 -6.669 2.027 3.481 90 H GLN 11 H GLN 11 -6.858 -4.532 4.221 91 HA GLN 11 HA GLN 11 -4.827 -5.825 2.591 92 HB2 GLN 11 1HB GLN 11 -4.701 -5.814 5.114 93 HB3 GLN 11 2HB GLN 11 -6.136 -6.822 5.119 94 HG2 GLN 11 1HG GLN 11 -4.490 -8.394 5.343 95 HG3 GLN 11 2HG GLN 11 -4.719 -8.381 3.603 96 HE21 GLN 11 1HE2 GLN 11 -3.109 -5.714 3.346 97 HE22 GLN 11 2HE2 GLN 11 -1.519 -6.280 3.618 98 H GLU 12 H GLU 12 -8.238 -5.865 3.141 99 HA GLU 12 HA GLU 12 -8.736 -8.585 2.350 100 HB2 GLU 12 1HB GLU 12 -10.556 -6.162 2.347 101 HB3 GLU 12 2HB GLU 12 -11.091 -7.804 2.047 102 HG2 GLU 12 1HG GLU 12 -9.867 -6.813 4.612 103 HG3 GLU 12 2HG GLU 12 -11.586 -7.057 4.320 104 H ILE 13 H ILE 13 -8.338 -5.597 0.887 105 HA ILE 13 HA ILE 13 -9.083 -6.461 -1.741 106 HB ILE 13 HB ILE 13 -8.219 -3.902 -0.507 107 HG12 ILE 13 1HG1 ILE 13 -10.552 -4.444 -0.288 108 HG13 ILE 13 2HG1 ILE 13 -10.371 -3.089 -1.389 109 HG21 ILE 13 1HG2 ILE 13 -8.458 -4.412 -3.429 110 HG22 ILE 13 2HG2 ILE 13 -7.003 -3.976 -2.527 111 HG23 ILE 13 3HG2 ILE 13 -8.332 -2.826 -2.671 112 HD11 ILE 13 3HD1 ILE 13 -11.023 -5.944 -2.068 113 HD12 ILE 13 1HD1 ILE 13 -10.645 -4.692 -3.260 114 HD13 ILE 13 2HD1 ILE 13 -12.056 -4.523 -2.215 115 H LEU 14 H LEU 14 -6.112 -5.339 -0.021 116 HA LEU 14 HA LEU 14 -4.372 -5.344 -2.143 117 HG LEU 14 HG LEU 14 -1.726 -6.211 -0.738 118 HB2 LEU 14 1HB LEU 14 -3.973 -4.366 0.078 119 HB3 LEU 14 2HB LEU 14 -3.711 -5.975 0.710 120 HD11 LEU 14 1HD1 LEU 14 -2.275 -3.334 -1.457 121 HD12 LEU 14 2HD1 LEU 14 -2.352 -4.717 -2.552 122 HD13 LEU 14 3HD1 LEU 14 -0.811 -4.232 -1.850 123 HD21 LEU 14 3HD2 LEU 14 -0.328 -4.651 0.501 124 HD22 LEU 14 1HD2 LEU 14 -1.518 -5.423 1.550 125 HD23 LEU 14 2HD2 LEU 14 -1.773 -3.768 0.999 126 H GLU 15 H GLU 15 -5.665 -7.990 -0.532 127 HA GLU 15 HA GLU 15 -3.666 -9.885 -1.056 128 HB2 GLU 15 1HB GLU 15 -5.127 -10.242 0.691 129 HB3 GLU 15 2HB GLU 15 -6.569 -10.066 -0.304 130 HG2 GLU 15 1HG GLU 15 -6.118 -12.196 -1.355 131 HG3 GLU 15 2HG GLU 15 -4.582 -12.320 -0.496 132 H ASN 16 H ASN 16 -5.919 -8.431 -3.197 133 HA ASN 16 HA ASN 16 -5.066 -10.262 -5.331 134 HB2 ASN 16 1HB ASN 16 -7.966 -9.614 -4.766 135 HB3 ASN 16 2HB ASN 16 -7.397 -10.278 -6.285 136 HD21 ASN 16 1HD2 ASN 16 -8.167 -10.874 -3.017 137 HD22 ASN 16 2HD2 ASN 16 -8.031 -12.587 -3.059 138 H LYS 17 H LYS 17 -4.101 -8.812 -6.684 139 HA LYS 17 HA LYS 17 -4.483 -6.193 -7.133 140 HB2 LYS 17 1HB LYS 17 -3.743 -6.449 -9.474 141 HB3 LYS 17 2HB LYS 17 -2.758 -7.311 -8.322 142 HG2 LYS 17 1HG LYS 17 -4.859 -8.611 -10.051 143 HG3 LYS 17 2HG LYS 17 -3.162 -8.495 -10.496 144 HD2 LYS 17 1HD LYS 17 -2.646 -9.707 -8.303 145 HD3 LYS 17 2HD LYS 17 -4.371 -10.030 -8.192 146 HE2 LYS 17 1HE LYS 17 -3.234 -11.940 -9.144 147 HE3 LYS 17 2HE LYS 17 -4.265 -11.197 -10.363 148 HZ1 LYS 17 3HZ LYS 17 -2.094 -11.783 -11.242 149 HZ2 LYS 17 1HZ LYS 17 -1.336 -10.820 -10.094 150 HZ3 LYS 17 2HZ LYS 17 -2.298 -10.105 -11.284 151 H ARG 18 H ARG 18 -6.619 -8.563 -8.440 152 HA ARG 18 HA ARG 18 -8.190 -6.713 -9.931 153 HE ARG 18 HE ARG 18 -7.844 -11.901 -7.311 154 HB2 ARG 18 1HB ARG 18 -10.020 -8.497 -9.888 155 HB3 ARG 18 2HB ARG 18 -8.502 -8.917 -10.650 156 HG2 ARG 18 1HG ARG 18 -8.996 -9.691 -7.801 157 HG3 ARG 18 2HG ARG 18 -9.724 -10.617 -9.113 158 HD2 ARG 18 1HD ARG 18 -7.485 -11.002 -10.073 159 HD3 ARG 18 2HD ARG 18 -6.735 -10.132 -8.745 160 HH11 ARG 18 1HH1 ARG 18 -6.775 -12.577 -10.631 161 HH12 ARG 18 2HH1 ARG 18 -6.296 -14.159 -10.263 162 HH21 ARG 18 1HH2 ARG 18 -7.153 -14.024 -6.847 163 HH22 ARG 18 2HH2 ARG 18 -6.512 -15.005 -8.077 164 H LEU 19 H LEU 19 -8.214 -7.648 -6.612 165 HA LEU 19 HA LEU 19 -10.659 -6.285 -6.139 166 HG LEU 19 HG LEU 19 -10.014 -9.223 -5.291 167 HB2 LEU 19 1HB LEU 19 -8.655 -7.499 -4.254 168 HB3 LEU 19 2HB LEU 19 -10.085 -6.650 -3.715 169 HD11 LEU 19 1HD1 LEU 19 -9.482 -9.393 -2.909 170 HD12 LEU 19 2HD1 LEU 19 -11.007 -10.183 -3.316 171 HD13 LEU 19 3HD1 LEU 19 -11.010 -8.607 -2.521 172 HD21 LEU 19 3HD2 LEU 19 -12.385 -7.576 -4.393 173 HD22 LEU 19 1HD2 LEU 19 -12.467 -9.214 -5.044 174 HD23 LEU 19 2HD2 LEU 19 -11.897 -7.899 -6.059 175 H LEU 20 H LEU 20 -7.271 -5.604 -6.230 176 HA LEU 20 HA LEU 20 -7.307 -3.106 -4.879 177 HG LEU 20 HG LEU 20 -4.796 -3.150 -4.313 178 HB2 LEU 20 1HB LEU 20 -5.527 -4.259 -7.002 179 HB3 LEU 20 2HB LEU 20 -5.406 -2.550 -6.640 180 HD11 LEU 20 1HD1 LEU 20 -3.982 -5.530 -4.010 181 HD12 LEU 20 2HD1 LEU 20 -5.023 -5.946 -5.365 182 HD13 LEU 20 3HD1 LEU 20 -5.715 -5.236 -3.923 183 HD21 LEU 20 3HD2 LEU 20 -2.558 -3.948 -4.838 184 HD22 LEU 20 1HD2 LEU 20 -3.093 -2.658 -5.915 185 HD23 LEU 20 2HD2 LEU 20 -3.103 -4.330 -6.472 186 H GLU 21 H GLU 21 -7.802 -4.098 -8.169 187 HA GLU 21 HA GLU 21 -8.480 -1.712 -9.358 188 HB2 GLU 21 1HB GLU 21 -9.541 -4.496 -9.775 189 HB3 GLU 21 2HB GLU 21 -9.888 -3.164 -10.861 190 HG2 GLU 21 1HG GLU 21 -7.151 -4.199 -10.194 191 HG3 GLU 21 2HG GLU 21 -8.029 -4.618 -11.657 192 H SER 22 H SER 22 -10.394 -3.835 -7.317 193 HA SER 22 HA SER 22 -12.843 -2.504 -7.642 194 HG SER 22 HG SER 22 -12.092 -4.950 -7.673 195 HB2 SER 22 1HB SER 22 -11.933 -4.105 -5.241 196 HB3 SER 22 2HB SER 22 -13.602 -3.735 -5.681 197 H TYR 23 H TYR 23 -10.252 -1.901 -5.139 198 HA TYR 23 HA TYR 23 -11.848 0.472 -4.391 199 HD1 TYR 23 2HD TYR 23 -8.266 -1.025 -4.280 200 HD2 TYR 23 1HD TYR 23 -9.383 0.365 -0.436 201 HE1 TYR 23 2HE TYR 23 -5.909 -1.124 -3.552 202 HE2 TYR 23 1HE TYR 23 -7.059 0.285 0.323 203 HH TYR 23 HH TYR 23 -4.466 -0.227 -1.877 204 HB2 TYR 23 1HB TYR 23 -10.793 0.694 -2.317 205 HB3 TYR 23 2HB TYR 23 -11.037 -0.998 -2.254 206 H MET 24 H MET 24 -10.076 0.043 -6.692 207 HA MET 24 HA MET 24 -7.824 1.698 -6.473 208 HB2 MET 24 1HB MET 24 -8.175 0.015 -8.281 209 HB3 MET 24 2HB MET 24 -9.329 1.108 -9.029 210 HG2 MET 24 1HG MET 24 -7.134 1.225 -10.100 211 HG3 MET 24 2HG MET 24 -7.584 2.764 -9.363 212 HE1 MET 24 3HE MET 24 -4.455 -0.175 -7.651 213 HE2 MET 24 1HE MET 24 -6.182 -0.530 -7.639 214 HE3 MET 24 2HE MET 24 -5.312 -0.417 -9.170 215 H ASP 25 H ASP 25 -11.111 2.455 -6.870 216 HA ASP 25 HA ASP 25 -10.839 5.080 -7.823 217 HB2 ASP 25 1HB ASP 25 -13.021 4.004 -7.746 218 HB3 ASP 25 2HB ASP 25 -12.940 3.948 -5.988 219 H CYS 26 H CYS 26 -10.559 3.648 -4.713 220 HA CYS 26 HA CYS 26 -10.611 6.018 -3.202 221 HB2 CYS 26 1HB CYS 26 -9.039 3.590 -2.361 222 HB3 CYS 26 2HB CYS 26 -9.917 4.753 -1.398 223 H VAL 27 H VAL 27 -8.141 3.950 -4.592 224 HA VAL 27 HA VAL 27 -6.020 5.548 -3.516 225 HB VAL 27 HB VAL 27 -5.873 3.271 -5.498 226 HG11 VAL 27 1HG1 VAL 27 -3.874 4.671 -5.575 227 HG12 VAL 27 2HG1 VAL 27 -3.700 4.541 -3.827 228 HG13 VAL 27 3HG1 VAL 27 -3.513 3.109 -4.839 229 HG21 VAL 27 3HG2 VAL 27 -5.509 3.285 -2.501 230 HG22 VAL 27 1HG2 VAL 27 -5.236 1.901 -3.560 231 HG23 VAL 27 2HG2 VAL 27 -6.858 2.568 -3.382 232 H LEU 28 H LEU 28 -7.162 4.899 -6.929 233 HA LEU 28 HA LEU 28 -5.460 7.154 -7.592 234 HG LEU 28 HG LEU 28 -5.627 7.023 -10.689 235 HB2 LEU 28 1HB LEU 28 -4.873 4.950 -8.615 236 HB3 LEU 28 2HB LEU 28 -6.386 5.023 -9.491 237 HD11 LEU 28 1HD1 LEU 28 -3.078 6.670 -9.101 238 HD12 LEU 28 2HD1 LEU 28 -4.205 8.033 -8.988 239 HD13 LEU 28 3HD1 LEU 28 -3.286 7.765 -10.470 240 HD21 LEU 28 3HD2 LEU 28 -5.136 4.867 -11.656 241 HD22 LEU 28 1HD2 LEU 28 -3.643 4.758 -10.713 242 HD23 LEU 28 2HD2 LEU 28 -3.807 5.991 -11.962 243 H GLY 29 H GLY 29 -8.677 6.017 -7.813 244 HA2 GLY 29 1HA GLY 29 -10.461 7.614 -8.033 245 HA3 GLY 29 2HA GLY 29 -9.370 8.638 -8.979 246 H LYS 30 H LYS 30 -11.418 5.959 -8.964 247 HA LYS 30 HA LYS 30 -11.459 5.758 -11.849 248 HB2 LYS 30 1HB LYS 30 -10.439 3.476 -10.185 249 HB3 LYS 30 2HB LYS 30 -11.096 3.204 -11.782 250 HG2 LYS 30 1HG LYS 30 -9.282 4.884 -12.551 251 HG3 LYS 30 2HG LYS 30 -8.603 4.619 -10.935 252 HD2 LYS 30 1HD LYS 30 -8.426 2.250 -11.338 253 HD3 LYS 30 2HD LYS 30 -9.228 2.415 -12.892 254 HE2 LYS 30 1HE LYS 30 -6.581 3.651 -12.170 255 HE3 LYS 30 2HE LYS 30 -6.776 2.176 -13.105 256 HZ1 LYS 30 3HZ LYS 30 -7.654 4.905 -13.910 257 HZ2 LYS 30 1HZ LYS 30 -8.029 3.499 -14.752 258 HZ3 LYS 30 2HZ LYS 30 -6.439 3.970 -14.615 259 H GLY 31 H GLY 31 -12.305 3.395 -9.333 260 HA2 GLY 31 1HA GLY 31 -14.869 3.087 -10.699 261 HA3 GLY 31 2HA GLY 31 -14.160 1.926 -9.604 262 H LYS 32 H LYS 32 -14.888 1.894 -7.501 263 HA LYS 32 HA LYS 32 -16.631 4.082 -6.721 264 HB2 LYS 32 1HB LYS 32 -18.360 2.443 -5.938 265 HB3 LYS 32 2HB LYS 32 -18.170 2.568 -7.677 266 HG2 LYS 32 1HG LYS 32 -16.847 0.495 -7.670 267 HG3 LYS 32 2HG LYS 32 -17.073 0.372 -5.923 268 HD2 LYS 32 1HD LYS 32 -19.492 0.230 -6.245 269 HD3 LYS 32 2HD LYS 32 -19.271 0.377 -7.989 270 HE2 LYS 32 1HE LYS 32 -17.976 -1.712 -7.982 271 HE3 LYS 32 2HE LYS 32 -18.229 -1.852 -6.244 272 HZ1 LYS 32 3HZ LYS 32 -20.651 -1.952 -6.701 273 HZ2 LYS 32 1HZ LYS 32 -19.811 -3.223 -7.408 274 HZ3 LYS 32 2HZ LYS 32 -20.330 -1.941 -8.346 275 H CYS 33 H CYS 33 -15.519 4.853 -5.083 276 HA CYS 33 HA CYS 33 -15.345 3.212 -2.658 277 HB2 CYS 33 1HB CYS 33 -13.439 5.298 -3.680 278 HB3 CYS 33 2HB CYS 33 -13.415 4.656 -2.044 279 H THR 34 H THR 34 -15.148 4.779 -0.666 280 HA THR 34 HA THR 34 -17.015 6.967 -1.073 281 HB THR 34 HB THR 34 -17.904 5.170 0.421 282 HG1 THR 34 1HG THR 34 -18.747 6.517 1.751 283 HG21 THR 34 3HG2 THR 34 -16.909 4.772 2.629 284 HG22 THR 34 1HG2 THR 34 -15.578 5.850 2.217 285 HG23 THR 34 2HG2 THR 34 -15.793 4.341 1.333 286 HA PRO 35 HA PRO 35 -13.964 10.120 -0.304 287 HB2 PRO 35 1HB PRO 35 -15.350 11.273 1.924 288 HB3 PRO 35 2HB PRO 35 -15.288 11.859 0.263 289 HG2 PRO 35 1HG PRO 35 -17.321 10.157 1.601 290 HG3 PRO 35 2HG PRO 35 -17.527 11.289 0.242 291 HD2 PRO 35 1HD PRO 35 -17.636 8.669 -0.083 292 HD3 PRO 35 2HD PRO 35 -16.802 9.679 -1.286 293 H GLU 36 H GLU 36 -15.252 9.275 2.962 294 HA GLU 36 HA GLU 36 -12.877 9.754 4.332 295 HB2 GLU 36 1HB GLU 36 -14.966 9.560 5.521 296 HB3 GLU 36 2HB GLU 36 -15.156 7.895 5.009 297 HG2 GLU 36 1HG GLU 36 -13.336 7.186 6.381 298 HG3 GLU 36 2HG GLU 36 -12.920 8.849 6.780 299 H GLY 37 H GLY 37 -14.013 6.898 2.756 300 HA2 GLY 37 1HA GLY 37 -12.063 5.112 3.735 301 HA3 GLY 37 2HA GLY 37 -13.031 4.890 2.282 302 H LYS 38 H LYS 38 -12.157 7.323 1.025 303 HA LYS 38 HA LYS 38 -9.880 6.241 -0.290 304 HB2 LYS 38 1HB LYS 38 -10.897 9.041 -0.492 305 HB3 LYS 38 2HB LYS 38 -9.858 8.215 -1.638 306 HG2 LYS 38 1HG LYS 38 -11.861 6.614 -1.942 307 HG3 LYS 38 2HG LYS 38 -12.761 7.849 -1.102 308 HD2 LYS 38 1HD LYS 38 -11.171 8.387 -3.613 309 HD3 LYS 38 2HD LYS 38 -12.894 8.061 -3.582 310 HE2 LYS 38 1HE LYS 38 -12.625 10.428 -3.751 311 HE3 LYS 38 2HE LYS 38 -13.169 10.080 -2.123 312 HZ1 LYS 38 3HZ LYS 38 -10.909 10.541 -1.287 313 HZ2 LYS 38 1HZ LYS 38 -11.428 11.778 -2.264 314 HZ3 LYS 38 2HZ LYS 38 -10.322 10.682 -2.850 315 H GLU 39 H GLU 39 -10.311 8.659 2.197 316 HA GLU 39 HA GLU 39 -7.650 9.601 1.739 317 HB2 GLU 39 1HB GLU 39 -9.798 10.458 3.618 318 HB3 GLU 39 2HB GLU 39 -8.136 10.953 3.915 319 HG2 GLU 39 1HG GLU 39 -9.122 12.719 2.678 320 HG3 GLU 39 2HG GLU 39 -8.080 11.795 1.597 321 H LEU 40 H LEU 40 -9.211 7.461 3.900 322 HA LEU 40 HA LEU 40 -6.941 7.214 5.560 323 HG LEU 40 HG LEU 40 -9.901 5.192 4.210 324 HB2 LEU 40 1HB LEU 40 -8.016 5.314 6.538 325 HB3 LEU 40 2HB LEU 40 -9.198 6.566 6.325 326 HD11 LEU 40 1HD1 LEU 40 -7.970 3.638 4.266 327 HD12 LEU 40 2HD1 LEU 40 -9.505 2.812 4.304 328 HD13 LEU 40 3HD1 LEU 40 -8.567 2.992 5.790 329 HD21 LEU 40 3HD2 LEU 40 -11.299 5.498 6.170 330 HD22 LEU 40 1HD2 LEU 40 -10.434 4.207 7.006 331 HD23 LEU 40 2HD2 LEU 40 -11.407 3.837 5.584 332 H LYS 41 H LYS 41 -7.961 5.774 2.576 333 HA LYS 41 HA LYS 41 -5.946 3.753 2.540 334 HB2 LYS 41 1HB LYS 41 -7.885 4.788 0.498 335 HB3 LYS 41 2HB LYS 41 -6.669 3.578 0.099 336 HG2 LYS 41 1HG LYS 41 -7.654 1.960 1.307 337 HG3 LYS 41 2HG LYS 41 -8.378 3.001 2.489 338 HD2 LYS 41 1HD LYS 41 -9.923 3.768 0.719 339 HD3 LYS 41 2HD LYS 41 -9.248 2.508 -0.314 340 HE2 LYS 41 1HE LYS 41 -9.897 0.821 1.377 341 HE3 LYS 41 2HE LYS 41 -10.513 2.113 2.384 342 HZ1 LYS 41 3HZ LYS 41 -11.583 1.673 -0.339 343 HZ2 LYS 41 1HZ LYS 41 -12.236 2.565 0.912 344 HZ3 LYS 41 2HZ LYS 41 -12.205 0.893 1.029 345 H ASP 42 H ASP 42 -6.267 6.981 1.228 346 HA ASP 42 HA ASP 42 -3.994 7.044 -0.392 347 HB2 ASP 42 1HB ASP 42 -5.735 8.853 -0.257 348 HB3 ASP 42 2HB ASP 42 -5.074 9.320 1.303 349 H HIS 43 H HIS 43 -4.401 7.662 3.040 350 HA HIS 43 HA HIS 43 -1.634 8.286 3.509 351 HD1 HIS 43 1HD HIS 43 -5.247 9.787 4.644 352 HD2 HIS 43 2HD HIS 43 -1.312 10.646 5.636 353 HE1 HIS 43 1HE HIS 43 -5.110 12.285 4.744 354 HE2 HIS 43 2HE HIS 43 -2.821 12.726 5.680 355 HB2 HIS 43 1HB HIS 43 -3.923 7.763 5.385 356 HB3 HIS 43 2HB HIS 43 -2.284 8.012 5.964 357 H LEU 44 H LEU 44 -3.607 5.397 4.047 358 HA LEU 44 HA LEU 44 -1.516 4.033 5.390 359 HG LEU 44 HG LEU 44 -2.215 1.789 6.221 360 HB2 LEU 44 1HB LEU 44 -3.981 3.599 5.652 361 HB3 LEU 44 2HB LEU 44 -3.972 2.868 4.067 362 HD11 LEU 44 1HD1 LEU 44 -5.166 1.182 5.936 363 HD12 LEU 44 2HD1 LEU 44 -4.344 1.899 7.313 364 HD13 LEU 44 3HD1 LEU 44 -4.015 0.229 6.865 365 HD21 LEU 44 3HD2 LEU 44 -3.551 0.530 3.798 366 HD22 LEU 44 1HD2 LEU 44 -2.653 -0.353 5.037 367 HD23 LEU 44 2HD2 LEU 44 -1.855 0.861 4.052 368 H GLN 45 H GLN 45 -2.676 3.947 2.035 369 HA GLN 45 HA GLN 45 -0.661 2.092 1.366 370 HB2 GLN 45 1HB GLN 45 -2.422 3.708 -0.488 371 HB3 GLN 45 2HB GLN 45 -1.319 2.451 -1.020 372 HG2 GLN 45 1HG GLN 45 -3.829 2.129 0.641 373 HG3 GLN 45 2HG GLN 45 -3.494 1.463 -0.951 374 HE21 GLN 45 1HE2 GLN 45 -4.407 -0.127 1.301 375 HE22 GLN 45 2HE2 GLN 45 -3.159 -1.200 1.730 376 H GLU 46 H GLU 46 -0.707 5.472 1.616 377 HA GLU 46 HA GLU 46 1.705 6.138 0.310 378 HB2 GLU 46 1HB GLU 46 0.355 7.756 1.096 379 HB3 GLU 46 2HB GLU 46 0.279 7.166 2.758 380 HG2 GLU 46 1HG GLU 46 2.756 7.751 2.824 381 HG3 GLU 46 2HG GLU 46 2.467 8.660 1.326 382 H ALA 47 H ALA 47 0.998 4.911 3.532 383 HA ALA 47 HA ALA 47 3.617 4.824 4.569 384 HB1 ALA 47 3HB ALA 47 2.648 3.375 6.289 385 HB2 ALA 47 1HB ALA 47 1.621 4.779 5.962 386 HB3 ALA 47 2HB ALA 47 1.195 3.196 5.303 387 H LEU 48 H LEU 48 1.908 2.854 2.433 388 HA LEU 48 HA LEU 48 3.125 0.391 2.673 389 HG LEU 48 HG LEU 48 3.014 -0.965 0.182 390 HB2 LEU 48 1HB LEU 48 1.203 0.560 1.317 391 HB3 LEU 48 2HB LEU 48 1.891 1.828 0.348 392 HD11 LEU 48 1HD1 LEU 48 1.463 -1.341 -1.701 393 HD12 LEU 48 2HD1 LEU 48 0.661 0.186 -1.344 394 HD13 LEU 48 3HD1 LEU 48 0.564 -1.147 -0.199 395 HD21 LEU 48 3HD2 LEU 48 2.766 1.305 -1.790 396 HD22 LEU 48 1HD2 LEU 48 3.574 -0.235 -2.086 397 HD23 LEU 48 2HD2 LEU 48 4.210 0.893 -0.877 398 H GLU 49 H GLU 49 4.359 3.228 0.850 399 HA GLU 49 HA GLU 49 6.840 1.685 0.877 400 HB2 GLU 49 1HB GLU 49 6.080 1.194 -1.308 401 HB3 GLU 49 2HB GLU 49 5.682 2.869 -1.648 402 HG2 GLU 49 1HG GLU 49 7.654 1.953 -2.858 403 HG3 GLU 49 2HG GLU 49 7.992 3.398 -1.919 404 H THR 50 H THR 50 6.503 4.726 -0.738 405 HA THR 50 HA THR 50 8.741 5.637 0.966 406 HB THR 50 HB THR 50 8.093 6.495 -1.865 407 HG1 THR 50 1HG THR 50 9.422 4.232 -0.926 408 HG21 THR 50 3HG2 THR 50 9.496 8.107 -0.645 409 HG22 THR 50 1HG2 THR 50 10.408 7.307 -1.927 410 HG23 THR 50 2HG2 THR 50 10.626 6.813 -0.249 411 H GLY 51 H GLY 51 5.760 5.943 1.204 412 HA2 GLY 51 1HA GLY 51 5.432 8.814 1.066 413 HA3 GLY 51 2HA GLY 51 4.243 7.632 1.625 414 H CYS 52 H CYS 52 4.380 6.833 3.759 415 HA CYS 52 HA CYS 52 6.499 7.623 5.466 416 HB2 CYS 52 1HB CYS 52 5.241 9.746 5.451 417 HB3 CYS 52 2HB CYS 52 3.802 8.889 6.000 418 H GLU 53 H GLU 53 6.706 5.535 5.934 419 HA GLU 53 HA GLU 53 4.590 3.792 6.782 420 HB2 GLU 53 1HB GLU 53 6.416 2.240 7.264 421 HB3 GLU 53 2HB GLU 53 6.618 2.962 5.674 422 HG2 GLU 53 1HG GLU 53 8.262 4.515 6.578 423 HG3 GLU 53 2HG GLU 53 8.034 3.838 8.180 424 H LYS 54 H LYS 54 6.687 6.027 8.389 425 HA LYS 54 HA LYS 54 6.197 4.717 10.958 426 HB2 LYS 54 1HB LYS 54 8.195 6.035 11.753 427 HB3 LYS 54 2HB LYS 54 8.513 4.810 10.550 428 HG2 LYS 54 1HG LYS 54 9.863 6.649 9.951 429 HG3 LYS 54 2HG LYS 54 8.518 6.683 8.821 430 HD2 LYS 54 1HD LYS 54 9.011 8.935 9.559 431 HD3 LYS 54 2HD LYS 54 7.454 8.448 10.231 432 HE2 LYS 54 1HE LYS 54 8.546 7.926 12.363 433 HE3 LYS 54 2HE LYS 54 10.104 8.394 11.686 434 HZ1 LYS 54 3HZ LYS 54 9.103 10.135 13.047 435 HZ2 LYS 54 1HZ LYS 54 7.766 10.184 12.047 436 HZ3 LYS 54 2HZ LYS 54 9.254 10.665 11.460 437 H CYS 55 H CYS 55 4.463 6.727 9.509 438 HA CYS 55 HA CYS 55 4.589 9.116 11.002 439 HB2 CYS 55 1HB CYS 55 2.756 8.047 8.986 440 HB3 CYS 55 2HB CYS 55 2.090 9.281 10.029 441 H THR 56 H THR 56 1.375 7.719 10.975 442 HA THR 56 HA THR 56 1.235 8.196 13.825 443 HB THR 56 HB THR 56 -1.224 7.955 13.309 444 HG1 THR 56 1HG THR 56 -1.680 8.132 10.981 445 HG21 THR 56 3HG2 THR 56 -0.147 10.177 13.420 446 HG22 THR 56 1HG2 THR 56 -1.407 10.148 12.186 447 HG23 THR 56 2HG2 THR 56 0.292 10.043 11.718 448 H GLU 57 H GLU 57 -0.323 6.556 14.885 449 HA GLU 57 HA GLU 57 0.692 3.965 14.719 450 HB2 GLU 57 1HB GLU 57 -1.122 3.280 16.203 451 HB3 GLU 57 2HB GLU 57 -0.500 4.827 16.728 452 HG2 GLU 57 1HG GLU 57 -3.077 4.392 15.200 453 HG3 GLU 57 2HG GLU 57 -2.944 4.686 16.928 454 H ALA 58 H ALA 58 -2.111 5.459 13.295 455 HA ALA 58 HA ALA 58 -3.213 3.208 12.039 456 HB1 ALA 58 3HB ALA 58 -4.420 5.329 12.309 457 HB2 ALA 58 1HB ALA 58 -3.343 6.075 11.127 458 HB3 ALA 58 2HB ALA 58 -4.430 4.779 10.630 459 H GLN 59 H GLN 59 -0.776 5.525 10.899 460 HA GLN 59 HA GLN 59 -0.653 4.174 8.374 461 HB2 GLN 59 1HB GLN 59 1.112 6.373 9.425 462 HB3 GLN 59 2HB GLN 59 1.251 5.679 7.817 463 HG2 GLN 59 1HG GLN 59 -1.176 6.324 7.487 464 HG3 GLN 59 2HG GLN 59 -1.026 7.261 8.966 465 HE21 GLN 59 1HE2 GLN 59 1.536 6.906 6.555 466 HE22 GLN 59 2HE2 GLN 59 1.454 8.524 5.982 467 H GLU 60 H GLU 60 1.404 4.187 11.256 468 HA GLU 60 HA GLU 60 3.253 2.509 9.980 469 HB2 GLU 60 1HB GLU 60 4.152 1.875 12.211 470 HB3 GLU 60 2HB GLU 60 4.066 3.599 11.926 471 HG2 GLU 60 1HG GLU 60 2.243 3.831 13.366 472 HG3 GLU 60 2HG GLU 60 2.003 2.090 13.515 473 H LYS 61 H LYS 61 0.365 1.667 11.816 474 HA LYS 61 HA LYS 61 0.739 -1.149 11.541 475 HB2 LYS 61 1HB LYS 61 -1.809 0.466 11.834 476 HB3 LYS 61 2HB LYS 61 -1.741 -1.289 11.878 477 HG2 LYS 61 1HG LYS 61 -0.369 -1.216 13.869 478 HG3 LYS 61 2HG LYS 61 -0.326 0.543 13.803 479 HD2 LYS 61 1HD LYS 61 -1.958 -0.183 15.455 480 HD3 LYS 61 2HD LYS 61 -2.773 0.605 14.110 481 HE2 LYS 61 1HE LYS 61 -3.966 -1.412 14.848 482 HE3 LYS 61 2HE LYS 61 -3.398 -1.573 13.189 483 HZ1 LYS 61 3HZ LYS 61 -2.070 -2.751 15.589 484 HZ2 LYS 61 1HZ LYS 61 -1.556 -2.921 13.998 485 HZ3 LYS 61 2HZ LYS 61 -3.014 -3.575 14.493 486 H GLY 62 H GLY 62 -0.413 1.375 9.534 487 HA2 GLY 62 1HA GLY 62 -1.653 -0.051 7.479 488 HA3 GLY 62 2HA GLY 62 -0.814 1.536 7.391 489 H ALA 63 H ALA 63 1.668 1.022 7.933 490 HA ALA 63 HA ALA 63 2.808 0.048 5.599 491 HB1 ALA 63 3HB ALA 63 4.939 0.114 6.809 492 HB2 ALA 63 1HB ALA 63 3.970 1.545 7.159 493 HB3 ALA 63 2HB ALA 63 4.068 0.236 8.337 494 H GLU 64 H GLU 64 2.527 -1.470 8.751 495 HA GLU 64 HA GLU 64 3.651 -3.988 8.376 496 HB2 GLU 64 1HB GLU 64 0.981 -3.589 9.753 497 HB3 GLU 64 2HB GLU 64 2.151 -4.856 10.061 498 HG2 GLU 64 1HG GLU 64 2.530 -1.934 10.658 499 HG3 GLU 64 2HG GLU 64 2.083 -3.173 11.828 500 H THR 65 H THR 65 0.385 -2.981 7.699 501 HA THR 65 HA THR 65 -0.687 -5.417 6.750 502 HB THR 65 HB THR 65 -1.568 -2.562 6.263 503 HG1 THR 65 1HG THR 65 -1.432 -2.817 8.461 504 HG21 THR 65 3HG2 THR 65 -2.761 -4.223 4.892 505 HG22 THR 65 1HG2 THR 65 -3.819 -3.523 6.120 506 HG23 THR 65 2HG2 THR 65 -3.142 -5.134 6.355 507 H SER 66 H SER 66 0.126 -2.418 4.973 508 HA SER 66 HA SER 66 -0.347 -3.426 2.462 509 HG SER 66 HG SER 66 -0.864 -0.452 2.181 510 HB2 SER 66 1HB SER 66 1.324 -1.127 3.385 511 HB3 SER 66 2HB SER 66 0.852 -1.433 1.711 512 H ILE 67 H ILE 67 2.748 -2.990 4.148 513 HA ILE 67 HA ILE 67 4.298 -3.746 1.968 514 HB ILE 67 HB ILE 67 4.929 -3.698 4.930 515 HG12 ILE 67 1HG1 ILE 67 5.587 -1.786 2.680 516 HG13 ILE 67 2HG1 ILE 67 4.310 -1.567 3.865 517 HG21 ILE 67 1HG2 ILE 67 6.849 -3.998 2.613 518 HG22 ILE 67 2HG2 ILE 67 6.482 -5.237 3.814 519 HG23 ILE 67 3HG2 ILE 67 7.303 -3.753 4.299 520 HD11 ILE 67 3HD1 ILE 67 6.220 -0.209 4.395 521 HD12 ILE 67 1HD1 ILE 67 7.259 -1.644 4.394 522 HD13 ILE 67 2HD1 ILE 67 6.000 -1.464 5.628 523 H ASP 68 H ASP 68 2.803 -5.672 4.545 524 HA ASP 68 HA ASP 68 4.179 -8.064 4.013 525 HB2 ASP 68 1HB ASP 68 2.758 -7.778 6.005 526 HB3 ASP 68 2HB ASP 68 1.331 -7.734 4.979 527 H TYR 69 H TYR 69 0.926 -7.069 2.789 528 HA TYR 69 HA TYR 69 1.104 -9.461 1.213 529 HD1 TYR 69 1HD TYR 69 -1.243 -9.469 -1.311 530 HD2 TYR 69 2HD TYR 69 -1.478 -10.520 2.788 531 HE1 TYR 69 1HE TYR 69 -2.030 -11.714 -1.929 532 HE2 TYR 69 2HE TYR 69 -2.271 -12.765 2.173 533 HH TYR 69 HH TYR 69 -3.287 -13.869 0.420 534 HB2 TYR 69 1HB TYR 69 -1.180 -8.272 2.165 535 HB3 TYR 69 2HB TYR 69 -1.187 -7.771 0.473 536 H LEU 70 H LEU 70 1.749 -6.177 0.593 537 HA LEU 70 HA LEU 70 1.539 -6.129 -2.184 538 HG LEU 70 HG LEU 70 3.953 -4.710 -2.832 539 HB2 LEU 70 1HB LEU 70 1.874 -4.164 -0.798 540 HB3 LEU 70 2HB LEU 70 3.475 -4.732 -0.370 541 HD11 LEU 70 1HD1 LEU 70 1.481 -2.993 -2.837 542 HD12 LEU 70 2HD1 LEU 70 1.750 -4.492 -3.721 543 HD13 LEU 70 3HD1 LEU 70 2.665 -3.047 -4.138 544 HD21 LEU 70 3HD2 LEU 70 4.491 -2.293 -2.765 545 HD22 LEU 70 1HD2 LEU 70 4.981 -3.184 -1.319 546 HD23 LEU 70 2HD2 LEU 70 3.530 -2.183 -1.291 547 H ILE 71 H ILE 71 4.394 -6.762 -0.116 548 HA ILE 71 HA ILE 71 6.010 -7.292 -2.400 549 HB ILE 71 HB ILE 71 6.607 -7.961 0.509 550 HG12 ILE 71 1HG1 ILE 71 7.323 -5.522 -1.140 551 HG13 ILE 71 2HG1 ILE 71 6.145 -5.570 0.160 552 HG21 ILE 71 1HG2 ILE 71 8.470 -7.683 -1.868 553 HG22 ILE 71 2HG2 ILE 71 8.064 -9.191 -1.052 554 HG23 ILE 71 3HG2 ILE 71 8.982 -7.950 -0.203 555 HD11 ILE 71 3HD1 ILE 71 7.919 -6.052 1.763 556 HD12 ILE 71 1HD1 ILE 71 8.244 -4.557 0.871 557 HD13 ILE 71 2HD1 ILE 71 9.105 -6.037 0.445 558 H LYS 72 H LYS 72 3.983 -9.223 -0.384 559 HA LYS 72 HA LYS 72 5.156 -11.668 -1.235 560 HB2 LYS 72 1HB LYS 72 2.685 -11.095 0.369 561 HB3 LYS 72 2HB LYS 72 3.260 -12.731 0.008 562 HG2 LYS 72 1HG LYS 72 5.290 -12.393 1.178 563 HG3 LYS 72 2HG LYS 72 4.994 -10.646 1.102 564 HD2 LYS 72 1HD LYS 72 4.715 -11.623 3.400 565 HD3 LYS 72 2HD LYS 72 3.308 -10.776 2.784 566 HE2 LYS 72 1HE LYS 72 2.295 -12.919 2.214 567 HE3 LYS 72 2HE LYS 72 3.705 -13.760 2.872 568 HZ1 LYS 72 3HZ LYS 72 2.011 -11.874 4.400 569 HZ2 LYS 72 1HZ LYS 72 3.244 -12.826 5.026 570 HZ3 LYS 72 2HZ LYS 72 1.820 -13.554 4.473 571 H ASN 73 H ASN 73 2.082 -10.061 -2.196 572 HA ASN 73 HA ASN 73 2.035 -12.110 -4.339 573 HB2 ASN 73 1HB ASN 73 0.138 -12.265 -2.687 574 HB3 ASN 73 2HB ASN 73 -0.410 -10.700 -3.266 575 HD21 ASN 73 1HD2 ASN 73 -1.646 -10.603 -5.317 576 HD22 ASN 73 2HD2 ASN 73 -2.000 -12.028 -6.124 577 H GLU 74 H GLU 74 1.836 -8.724 -3.659 578 HA GLU 74 HA GLU 74 1.096 -8.288 -6.488 579 HB2 GLU 74 1HB GLU 74 0.620 -6.430 -4.157 580 HB3 GLU 74 2HB GLU 74 0.181 -6.108 -5.826 581 HG2 GLU 74 1HG GLU 74 -0.961 -8.245 -4.032 582 HG3 GLU 74 2HG GLU 74 -1.771 -6.786 -4.588 583 H LEU 75 H LEU 75 3.516 -8.740 -6.475 584 HA LEU 75 HA LEU 75 5.323 -6.763 -5.550 585 HG LEU 75 HG LEU 75 7.615 -7.245 -7.660 586 HB2 LEU 75 1HB LEU 75 5.964 -9.098 -5.935 587 HB3 LEU 75 2HB LEU 75 5.757 -8.872 -7.656 588 HD11 LEU 75 1HD1 LEU 75 9.053 -7.054 -5.686 589 HD12 LEU 75 2HD1 LEU 75 7.906 -8.014 -4.754 590 HD13 LEU 75 3HD1 LEU 75 7.436 -6.430 -5.373 591 HD21 LEU 75 3HD2 LEU 75 8.278 -9.919 -6.433 592 HD22 LEU 75 1HD2 LEU 75 9.405 -8.868 -7.290 593 HD23 LEU 75 2HD2 LEU 75 8.047 -9.589 -8.150 594 H GLU 76 H GLU 76 3.679 -7.174 -8.627 595 HA GLU 76 HA GLU 76 5.274 -5.102 -9.775 596 HB2 GLU 76 1HB GLU 76 3.738 -5.226 -11.787 597 HB3 GLU 76 2HB GLU 76 4.628 -6.687 -11.417 598 HG2 GLU 76 1HG GLU 76 1.754 -6.212 -10.680 599 HG3 GLU 76 2HG GLU 76 2.276 -7.034 -12.145 600 H ILE 77 H ILE 77 2.364 -5.199 -8.013 601 HA ILE 77 HA ILE 77 1.430 -2.588 -8.678 602 HB ILE 77 HB ILE 77 1.149 -4.130 -6.074 603 HG12 ILE 77 1HG1 ILE 77 0.154 -5.232 -8.033 604 HG13 ILE 77 2HG1 ILE 77 -1.060 -4.762 -6.835 605 HG21 ILE 77 1HG2 ILE 77 -0.373 -1.686 -6.985 606 HG22 ILE 77 2HG2 ILE 77 0.808 -1.752 -5.678 607 HG23 ILE 77 3HG2 ILE 77 -0.715 -2.627 -5.532 608 HD11 ILE 77 3HD1 ILE 77 -1.672 -2.861 -8.210 609 HD12 ILE 77 1HD1 ILE 77 -1.838 -4.368 -9.104 610 HD13 ILE 77 2HD1 ILE 77 -0.455 -3.309 -9.414 611 H TRP 78 H TRP 78 3.695 -3.902 -6.338 612 HA TRP 78 HA TRP 78 4.433 -1.587 -4.990 613 HD1 TRP 78 HD TRP 78 6.345 -1.336 -2.906 614 HE1 TRP 78 1HE TRP 78 8.787 -0.654 -2.646 615 HE3 TRP 78 3HE TRP 78 8.345 -4.189 -6.654 616 HZ2 TRP 78 2HZ TRP 78 11.278 -1.251 -3.890 617 HZ3 TRP 78 3HZ TRP 78 10.770 -4.078 -7.046 618 HH2 TRP 78 HH TRP 78 12.205 -2.641 -5.692 619 HB2 TRP 78 1HB TRP 78 5.317 -3.700 -4.213 620 HB3 TRP 78 2HB TRP 78 6.111 -3.994 -5.754 621 H LYS 79 H LYS 79 5.701 -2.948 -7.960 622 HA LYS 79 HA LYS 79 7.654 -1.060 -8.539 623 HB2 LYS 79 1HB LYS 79 5.936 -2.633 -10.444 624 HB3 LYS 79 2HB LYS 79 7.382 -1.752 -10.911 625 HG2 LYS 79 1HG LYS 79 8.723 -3.174 -9.440 626 HG3 LYS 79 2HG LYS 79 7.269 -4.046 -8.961 627 HD2 LYS 79 1HD LYS 79 8.460 -5.315 -10.640 628 HD3 LYS 79 2HD LYS 79 6.941 -4.730 -11.304 629 HE2 LYS 79 1HE LYS 79 8.789 -4.498 -12.903 630 HE3 LYS 79 2HE LYS 79 8.100 -2.934 -12.479 631 HZ1 LYS 79 3HZ LYS 79 10.524 -2.928 -12.558 632 HZ2 LYS 79 1HZ LYS 79 10.598 -4.074 -11.334 633 HZ3 LYS 79 2HZ LYS 79 9.989 -2.533 -11.023 634 H GLU 80 H GLU 80 4.208 -0.953 -9.283 635 HA GLU 80 HA GLU 80 4.374 1.403 -10.860 636 HB2 GLU 80 1HB GLU 80 1.970 0.327 -9.378 637 HB3 GLU 80 2HB GLU 80 1.950 1.519 -10.669 638 HG2 GLU 80 1HG GLU 80 2.945 -0.231 -12.170 639 HG3 GLU 80 2HG GLU 80 2.692 -1.388 -10.869 640 H LEU 81 H LEU 81 3.852 0.787 -7.457 641 HA LEU 81 HA LEU 81 3.363 3.549 -6.954 642 HG LEU 81 HG LEU 81 1.776 0.949 -6.143 643 HB2 LEU 81 1HB LEU 81 3.882 1.418 -4.833 644 HB3 LEU 81 2HB LEU 81 3.305 3.035 -4.599 645 HD11 LEU 81 1HD1 LEU 81 0.224 0.987 -4.273 646 HD12 LEU 81 2HD1 LEU 81 1.309 2.074 -3.400 647 HD13 LEU 81 3HD1 LEU 81 1.829 0.428 -3.789 648 HD21 LEU 81 3HD2 LEU 81 1.038 3.771 -5.345 649 HD22 LEU 81 1HD2 LEU 81 -0.066 2.593 -6.055 650 HD23 LEU 81 2HD2 LEU 81 1.304 3.178 -6.985 651 H THR 82 H THR 82 6.187 1.523 -6.944 652 HA THR 82 HA THR 82 8.045 3.273 -5.740 653 HB THR 82 HB THR 82 8.547 1.682 -8.284 654 HG1 THR 82 1HG THR 82 8.136 0.780 -5.657 655 HG21 THR 82 3HG2 THR 82 10.353 2.426 -5.977 656 HG22 THR 82 1HG2 THR 82 10.346 3.181 -7.575 657 HG23 THR 82 2HG2 THR 82 10.827 1.490 -7.400 658 H ALA 83 H ALA 83 6.949 3.076 -9.079 659 HA ALA 83 HA ALA 83 8.282 5.286 -10.097 660 HB1 ALA 83 3HB ALA 83 7.133 3.589 -11.451 661 HB2 ALA 83 1HB ALA 83 5.587 4.232 -10.911 662 HB3 ALA 83 2HB ALA 83 6.650 5.229 -11.901 663 H HIS 84 H HIS 84 5.302 5.049 -8.344 664 HA HIS 84 HA HIS 84 4.338 7.688 -8.804 665 HD1 HIS 84 1HD HIS 84 0.958 7.400 -8.455 666 HD2 HIS 84 2HD HIS 84 2.942 7.945 -4.850 667 HE1 HIS 84 1HE HIS 84 -0.495 8.938 -7.113 668 HE2 HIS 84 2HE HIS 84 0.559 8.870 -4.826 669 HB2 HIS 84 1HB HIS 84 2.867 5.804 -8.161 670 HB3 HIS 84 2HB HIS 84 3.651 5.737 -6.594 671 H PHE 85 H PHE 85 6.472 6.312 -6.373 672 HA PHE 85 HA PHE 85 6.442 8.892 -4.969 673 HD1 PHE 85 2HD PHE 85 5.267 8.932 -2.581 674 HD2 PHE 85 1HD PHE 85 5.545 4.850 -3.730 675 HE1 PHE 85 2HE PHE 85 3.046 8.511 -1.617 676 HE2 PHE 85 1HE PHE 85 3.324 4.421 -2.769 677 HZ PHE 85 HZ PHE 85 2.070 6.252 -1.716 678 HB2 PHE 85 1HB PHE 85 7.416 6.220 -3.951 679 HB3 PHE 85 2HB PHE 85 7.494 7.760 -3.097 680 H ASP 86 H ASP 86 8.923 6.343 -5.462 681 HA ASP 86 HA ASP 86 10.844 8.418 -6.157 682 HB2 ASP 86 1HB ASP 86 11.322 7.722 -3.816 683 HB3 ASP 86 2HB ASP 86 11.362 6.038 -4.324 684 HA PRO 87 HA PRO 87 10.438 5.219 -9.336 685 HB2 PRO 87 1HB PRO 87 10.979 6.777 -11.444 686 HB3 PRO 87 2HB PRO 87 9.430 6.818 -10.565 687 HG2 PRO 87 1HG PRO 87 11.817 8.586 -10.174 688 HG3 PRO 87 2HG PRO 87 10.141 9.101 -10.515 689 HD2 PRO 87 1HD PRO 87 11.155 9.044 -8.057 690 HD3 PRO 87 2HD PRO 87 9.472 8.545 -8.348 691 H ASP 88 H ASP 88 13.077 6.815 -8.119 692 HA ASP 88 HA ASP 88 15.086 5.758 -9.923 693 HB2 ASP 88 1HB ASP 88 15.260 7.050 -7.193 694 HB3 ASP 88 2HB ASP 88 16.662 6.473 -8.075 695 H GLY 89 H GLY 89 13.292 4.787 -7.154 696 HA2 GLY 89 1HA GLY 89 13.197 2.802 -6.021 697 HA3 GLY 89 2HA GLY 89 14.321 2.123 -7.203 698 H LYS 90 H LYS 90 14.902 5.019 -5.376 699 HA LYS 90 HA LYS 90 17.475 3.993 -4.627 700 HB2 LYS 90 1HB LYS 90 17.107 6.344 -5.374 701 HB3 LYS 90 2HB LYS 90 16.195 6.630 -3.902 702 HG2 LYS 90 1HG LYS 90 18.403 7.488 -3.576 703 HG3 LYS 90 2HG LYS 90 18.194 6.039 -2.598 704 HD2 LYS 90 1HD LYS 90 20.351 5.904 -3.573 705 HD3 LYS 90 2HD LYS 90 19.345 4.746 -4.421 706 HE2 LYS 90 1HE LYS 90 20.724 5.950 -6.001 707 HE3 LYS 90 2HE LYS 90 19.036 6.386 -6.250 708 HZ1 LYS 90 3HZ LYS 90 20.497 8.293 -6.321 709 HZ2 LYS 90 1HZ LYS 90 21.035 8.014 -4.751 710 HZ3 LYS 90 2HZ LYS 90 19.427 8.450 -5.044 711 H TRP 91 H TRP 91 14.427 4.094 -3.228 712 HA TRP 91 HA TRP 91 15.345 3.923 -0.513 713 HD1 TRP 91 HD TRP 91 13.787 6.350 -2.551 714 HE1 TRP 91 1HE TRP 91 13.616 8.587 -1.317 715 HE3 TRP 91 3HE TRP 91 12.508 4.614 2.086 716 HZ2 TRP 91 2HZ TRP 91 13.001 9.511 1.283 717 HZ3 TRP 91 3HZ TRP 91 12.139 6.242 3.887 718 HH2 TRP 91 HH TRP 91 12.380 8.642 3.492 719 HB2 TRP 91 1HB TRP 91 12.607 3.838 -1.757 720 HB3 TRP 91 2HB TRP 91 12.860 3.514 -0.042 721 H ARG 92 H ARG 92 15.945 1.988 -2.651 722 HA ARG 92 HA ARG 92 15.112 -0.602 -2.344 723 HE ARG 92 HE ARG 92 20.284 2.271 -2.722 724 HB2 ARG 92 1HB ARG 92 17.502 -1.218 -2.894 725 HB3 ARG 92 2HB ARG 92 16.781 -0.032 -3.977 726 HG2 ARG 92 1HG ARG 92 17.951 1.773 -2.811 727 HG3 ARG 92 2HG ARG 92 18.628 0.617 -1.677 728 HD2 ARG 92 1HD ARG 92 19.889 -0.428 -3.473 729 HD3 ARG 92 2HD ARG 92 19.158 0.668 -4.649 730 HH11 ARG 92 1HH1 ARG 92 21.527 -0.173 -4.962 731 HH12 ARG 92 2HH1 ARG 92 23.046 0.563 -5.156 732 HH21 ARG 92 1HH2 ARG 92 22.386 3.289 -2.975 733 HH22 ARG 92 2HH2 ARG 92 23.545 2.585 -3.993 734 H LYS 93 H LYS 93 17.253 1.230 -0.239 735 HA LYS 93 HA LYS 93 18.123 -0.927 1.356 736 HB2 LYS 93 1HB LYS 93 19.294 1.267 1.050 737 HB3 LYS 93 2HB LYS 93 18.015 2.000 1.980 738 HG2 LYS 93 1HG LYS 93 19.700 1.781 3.569 739 HG3 LYS 93 2HG LYS 93 18.706 0.362 3.863 740 HD2 LYS 93 1HD LYS 93 21.226 0.341 2.181 741 HD3 LYS 93 2HD LYS 93 21.204 -0.015 3.895 742 HE2 LYS 93 1HE LYS 93 19.796 -1.623 1.730 743 HE3 LYS 93 2HE LYS 93 21.285 -2.029 2.533 744 HZ1 LYS 93 3HZ LYS 93 19.493 -3.241 3.535 745 HZ2 LYS 93 1HZ LYS 93 18.649 -1.834 3.937 746 HZ3 LYS 93 2HZ LYS 93 20.126 -2.167 4.643 747 H LYS 94 H LYS 94 15.519 1.431 1.567 748 HA LYS 94 HA LYS 94 14.840 0.629 4.227 749 HB2 LYS 94 1HB LYS 94 14.508 2.975 3.187 750 HB3 LYS 94 2HB LYS 94 13.081 2.288 2.426 751 HG2 LYS 94 1HG LYS 94 12.434 3.457 4.442 752 HG3 LYS 94 2HG LYS 94 12.195 1.723 4.677 753 HD2 LYS 94 1HD LYS 94 14.294 1.574 5.912 754 HD3 LYS 94 2HD LYS 94 14.616 3.278 5.606 755 HE2 LYS 94 1HE LYS 94 13.813 2.983 7.866 756 HE3 LYS 94 2HE LYS 94 12.604 3.842 6.921 757 HZ1 LYS 94 3HZ LYS 94 11.762 2.080 8.404 758 HZ2 LYS 94 1HZ LYS 94 12.505 0.920 7.451 759 HZ3 LYS 94 2HZ LYS 94 11.245 1.916 6.829 760 H TYR 95 H TYR 95 13.735 0.027 0.966 761 HA TYR 95 HA TYR 95 11.439 -1.468 1.427 762 HD1 TYR 95 2HD TYR 95 9.921 -2.326 -0.692 763 HD2 TYR 95 1HD TYR 95 13.800 -3.844 -1.552 764 HE1 TYR 95 2HE TYR 95 8.915 -4.288 -1.773 765 HE2 TYR 95 1HE TYR 95 12.801 -5.813 -2.632 766 HH TYR 95 HH TYR 95 9.530 -5.934 -3.458 767 HB2 TYR 95 1HB TYR 95 12.035 -0.869 -0.806 768 HB3 TYR 95 2HB TYR 95 13.591 -1.683 -0.689 769 H GLU 96 H GLU 96 14.779 -2.585 1.130 770 HA GLU 96 HA GLU 96 14.458 -5.273 1.837 771 HB2 GLU 96 1HB GLU 96 16.501 -4.285 0.863 772 HB3 GLU 96 2HB GLU 96 16.790 -3.423 2.363 773 HG2 GLU 96 1HG GLU 96 16.915 -5.649 3.499 774 HG3 GLU 96 2HG GLU 96 16.893 -6.383 1.897 775 H ASP 97 H ASP 97 15.019 -2.393 3.747 776 HA ASP 97 HA ASP 97 15.418 -3.388 6.287 777 HB2 ASP 97 1HB ASP 97 15.731 -1.046 5.836 778 HB3 ASP 97 2HB ASP 97 14.058 -0.888 5.335 779 H ARG 98 H ARG 98 12.267 -2.395 4.889 780 HA ARG 98 HA ARG 98 10.891 -3.427 7.165 781 HE ARG 98 HE ARG 98 9.709 -1.317 3.376 782 HB2 ARG 98 1HB ARG 98 9.724 -2.747 4.460 783 HB3 ARG 98 2HB ARG 98 8.779 -3.325 5.812 784 HG2 ARG 98 1HG ARG 98 8.416 -1.080 6.004 785 HG3 ARG 98 2HG ARG 98 9.835 -1.249 7.025 786 HD2 ARG 98 1HD ARG 98 9.980 0.672 5.516 787 HD3 ARG 98 2HD ARG 98 11.263 -0.503 5.236 788 HH11 ARG 98 1HH1 ARG 98 9.712 2.129 4.334 789 HH12 ARG 98 2HH1 ARG 98 9.499 2.658 2.721 790 HH21 ARG 98 1HH2 ARG 98 9.489 -0.458 1.137 791 HH22 ARG 98 2HH2 ARG 98 9.478 1.194 0.920 792 H ALA 99 H ALA 99 11.317 -4.687 3.880 793 HA ALA 99 HA ALA 99 9.673 -6.875 4.048 794 HB1 ALA 99 3HB ALA 99 10.927 -7.810 2.210 795 HB2 ALA 99 1HB ALA 99 10.741 -6.069 1.994 796 HB3 ALA 99 2HB ALA 99 12.279 -6.726 2.551 797 H LYS 100 H LYS 100 13.166 -6.812 4.852 798 HA LYS 100 HA LYS 100 12.934 -9.536 5.545 799 HB2 LYS 100 1HB LYS 100 15.028 -8.472 4.579 800 HB3 LYS 100 2HB LYS 100 15.309 -7.795 6.175 801 HG2 LYS 100 1HG LYS 100 16.598 -9.860 5.776 802 HG3 LYS 100 2HG LYS 100 15.487 -9.998 7.140 803 HD2 LYS 100 1HD LYS 100 13.867 -11.165 5.716 804 HD3 LYS 100 2HD LYS 100 14.952 -10.999 4.338 805 HE2 LYS 100 1HE LYS 100 16.559 -12.406 5.368 806 HE3 LYS 100 2HE LYS 100 15.639 -12.467 6.875 807 HZ1 LYS 100 3HZ LYS 100 14.780 -13.627 4.246 808 HZ2 LYS 100 1HZ LYS 100 13.866 -13.622 5.672 809 HZ3 LYS 100 2HZ LYS 100 15.294 -14.469 5.608 810 H ALA 101 H ALA 101 12.612 -6.552 7.320 811 HA ALA 101 HA ALA 101 13.037 -7.724 9.877 812 HB1 ALA 101 3HB ALA 101 12.062 -5.707 10.779 813 HB2 ALA 101 1HB ALA 101 13.198 -5.326 9.485 814 HB3 ALA 101 2HB ALA 101 11.461 -5.256 9.180 815 H LYS 102 H LYS 102 10.181 -7.242 7.854 816 HA LYS 102 HA LYS 102 8.348 -7.996 9.936 817 HB2 LYS 102 1HB LYS 102 7.668 -8.117 6.999 818 HB3 LYS 102 2HB LYS 102 6.591 -7.834 8.349 819 HG2 LYS 102 1HG LYS 102 8.554 -5.937 7.094 820 HG3 LYS 102 2HG LYS 102 6.806 -5.783 7.209 821 HD2 LYS 102 1HD LYS 102 8.721 -5.704 9.536 822 HD3 LYS 102 2HD LYS 102 8.057 -4.283 8.745 823 HE2 LYS 102 1HE LYS 102 5.803 -5.011 9.385 824 HE3 LYS 102 2HE LYS 102 6.496 -6.420 10.185 825 HZ1 LYS 102 3HZ LYS 102 7.675 -4.947 11.699 826 HZ2 LYS 102 1HZ LYS 102 6.008 -4.574 11.701 827 HZ3 LYS 102 2HZ LYS 102 7.065 -3.606 10.856 828 H GLY 103 H GLY 103 10.221 -9.674 7.671 829 HA2 GLY 103 1HA GLY 103 10.620 -12.015 7.923 830 HA3 GLY 103 2HA GLY 103 8.995 -12.181 8.579 831 H ILE 104 H ILE 104 9.622 -10.270 5.753 832 HA ILE 104 HA ILE 104 7.877 -11.854 4.149 833 HB ILE 104 HB ILE 104 9.819 -9.645 3.367 834 HG12 ILE 104 1HG1 ILE 104 8.261 -8.773 5.007 835 HG13 ILE 104 2HG1 ILE 104 7.881 -8.112 3.425 836 HG21 ILE 104 1HG2 ILE 104 7.437 -10.709 1.872 837 HG22 ILE 104 2HG2 ILE 104 9.140 -10.928 1.448 838 HG23 ILE 104 3HG2 ILE 104 8.420 -9.319 1.409 839 HD11 ILE 104 3HD1 ILE 104 5.912 -8.690 4.726 840 HD12 ILE 104 1HD1 ILE 104 6.418 -10.372 4.766 841 HD13 ILE 104 2HD1 ILE 104 5.993 -9.619 3.223 842 H VAL 105 H VAL 105 8.533 -13.512 2.772 843 HA VAL 105 HA VAL 105 11.187 -14.368 3.284 844 HB VAL 105 HB VAL 105 9.507 -16.104 3.256 845 HG11 VAL 105 1HG1 VAL 105 8.410 -16.883 1.208 846 HG12 VAL 105 2HG1 VAL 105 7.922 -15.251 1.673 847 HG13 VAL 105 3HG1 VAL 105 9.064 -15.488 0.350 848 HG21 VAL 105 3HG2 VAL 105 11.751 -16.795 2.680 849 HG22 VAL 105 1HG2 VAL 105 11.454 -16.439 0.977 850 HG23 VAL 105 2HG2 VAL 105 10.583 -17.753 1.770 851 H ILE 106 H ILE 106 12.624 -13.266 2.518 852 HA ILE 106 HA ILE 106 13.228 -13.460 -0.308 853 HB ILE 106 HB ILE 106 14.139 -11.198 -0.402 854 HG12 ILE 106 1HG1 ILE 106 13.635 -11.197 2.549 855 HG13 ILE 106 2HG1 ILE 106 15.099 -10.944 1.686 856 HG21 ILE 106 1HG2 ILE 106 11.392 -11.016 0.807 857 HG22 ILE 106 2HG2 ILE 106 11.787 -11.245 -0.897 858 HG23 ILE 106 3HG2 ILE 106 12.202 -9.730 -0.091 859 HD11 ILE 106 3HD1 ILE 106 14.455 -8.777 0.868 860 HD12 ILE 106 1HD1 ILE 106 14.315 -8.806 2.625 861 HD13 ILE 106 2HD1 ILE 106 12.870 -8.924 1.616 862 HA PRO 107 HA PRO 107 16.619 -15.275 1.533 863 HB2 PRO 107 1HB PRO 107 18.688 -14.862 -0.069 864 HB3 PRO 107 2HB PRO 107 17.159 -15.668 -0.539 865 HG2 PRO 107 1HG PRO 107 17.876 -12.797 -1.009 866 HG3 PRO 107 2HG PRO 107 17.433 -14.019 -2.220 867 HD2 PRO 107 1HD PRO 107 15.607 -12.371 -1.158 868 HD3 PRO 107 2HD PRO 107 15.216 -14.063 -1.545 869 H GLU 108 H GLU 108 17.846 -15.063 3.150 870 HA GLU 108 HA GLU 108 18.956 -12.519 3.893 871 HB2 GLU 108 1HB GLU 108 19.774 -13.956 5.927 872 HB3 GLU 108 2HB GLU 108 18.085 -13.525 5.833 873 HG2 GLU 108 1HG GLU 108 19.134 -16.190 4.874 874 HG3 GLU 108 2HG GLU 108 18.653 -15.905 6.545 Start of MODEL 7 1 HA TYR 1 HA TYR 1 -20.295 -1.240 -0.972 2 HD1 TYR 1 1HD TYR 1 -24.547 -1.489 -1.183 3 HD2 TYR 1 2HD TYR 1 -22.670 1.945 0.481 4 HE1 TYR 1 1HE TYR 1 -26.634 -0.908 -0.023 5 HE2 TYR 1 2HE TYR 1 -24.746 2.521 1.643 6 HH TYR 1 HH TYR 1 -27.254 0.409 2.040 7 H1 TYR 1 1HT TYR 1 -21.159 -3.026 0.412 8 H2 TYR 1 2HT TYR 1 -21.967 -2.875 -1.035 9 H3 TYR 1 3HT TYR 1 -22.688 -2.301 0.378 10 HB2 TYR 1 1HB TYR 1 -21.652 0.772 -1.375 11 HB3 TYR 1 2HB TYR 1 -22.413 -0.638 -2.087 12 H THR 2 H THR 2 -21.404 -2.045 1.956 13 HA THR 2 HA THR 2 -19.881 0.058 3.260 14 HB THR 2 HB THR 2 -22.324 -1.389 4.399 15 HG1 THR 2 1HG THR 2 -23.472 0.529 3.932 16 HG21 THR 2 3HG2 THR 2 -20.760 -0.407 6.047 17 HG22 THR 2 1HG2 THR 2 -22.305 0.444 6.044 18 HG23 THR 2 2HG2 THR 2 -20.906 1.156 5.246 19 H ASP 3 H ASP 3 -18.675 -1.852 2.228 20 HA ASP 3 HA ASP 3 -17.537 -3.676 3.889 21 HB2 ASP 3 1HB ASP 3 -18.574 -5.830 3.196 22 HB3 ASP 3 2HB ASP 3 -19.730 -4.846 4.079 23 H LYS 4 H LYS 4 -15.785 -4.110 2.823 24 HA LYS 4 HA LYS 4 -14.230 -4.299 1.289 25 HB2 LYS 4 1HB LYS 4 -16.467 -5.024 -0.607 26 HB3 LYS 4 2HB LYS 4 -14.767 -5.131 -1.025 27 HG2 LYS 4 1HG LYS 4 -14.495 -6.785 0.813 28 HG3 LYS 4 2HG LYS 4 -16.246 -6.741 1.044 29 HD2 LYS 4 1HD LYS 4 -14.846 -7.463 -1.532 30 HD3 LYS 4 2HD LYS 4 -15.526 -8.621 -0.392 31 HE2 LYS 4 1HE LYS 4 -17.760 -7.700 -0.781 32 HE3 LYS 4 2HE LYS 4 -17.086 -6.502 -1.882 33 HZ1 LYS 4 3HZ LYS 4 -16.371 -8.263 -3.326 34 HZ2 LYS 4 1HZ LYS 4 -18.027 -8.378 -3.077 35 HZ3 LYS 4 2HZ LYS 4 -16.970 -9.443 -2.294 36 H TYR 5 H TYR 5 -13.335 -3.381 -0.695 37 HA TYR 5 HA TYR 5 -12.509 -1.608 -1.618 38 HD1 TYR 5 1HD TYR 5 -15.314 -3.615 -3.474 39 HD2 TYR 5 2HD TYR 5 -16.410 0.388 -2.527 40 HE1 TYR 5 1HE TYR 5 -17.681 -4.233 -3.648 41 HE2 TYR 5 2HE TYR 5 -18.787 -0.217 -2.697 42 HH TYR 5 HH TYR 5 -19.846 -3.410 -2.770 43 HB2 TYR 5 1HB TYR 5 -14.176 -0.130 -3.029 44 HB3 TYR 5 2HB TYR 5 -13.658 -1.592 -3.703 45 H ASP 6 H ASP 6 -15.424 -0.396 -0.261 46 HA ASP 6 HA ASP 6 -14.531 2.282 -0.252 47 HB2 ASP 6 1HB ASP 6 -16.661 2.820 0.307 48 HB3 ASP 6 2HB ASP 6 -16.954 1.225 -0.365 49 H LYS 7 H LYS 7 -14.521 -0.330 2.040 50 HA LYS 7 HA LYS 7 -13.884 1.671 4.108 51 HB2 LYS 7 1HB LYS 7 -16.070 0.173 4.189 52 HB3 LYS 7 2HB LYS 7 -14.975 -0.997 4.905 53 HG2 LYS 7 1HG LYS 7 -15.999 0.156 6.709 54 HG3 LYS 7 2HG LYS 7 -14.360 0.786 6.610 55 HD2 LYS 7 1HD LYS 7 -15.527 2.754 6.817 56 HD3 LYS 7 2HD LYS 7 -15.496 2.602 5.064 57 HE2 LYS 7 1HE LYS 7 -17.784 1.912 6.923 58 HE3 LYS 7 2HE LYS 7 -17.711 3.233 5.771 59 HZ1 LYS 7 3HZ LYS 7 -19.053 1.471 4.915 60 HZ2 LYS 7 1HZ LYS 7 -17.813 0.338 5.097 61 HZ3 LYS 7 2HZ LYS 7 -17.685 1.594 3.973 62 H ILE 8 H ILE 8 -13.275 -0.383 6.056 63 HA ILE 8 HA ILE 8 -10.432 -0.316 5.956 64 HB ILE 8 HB ILE 8 -10.671 -1.588 8.099 65 HG12 ILE 8 1HG1 ILE 8 -13.639 -1.183 7.713 66 HG13 ILE 8 2HG1 ILE 8 -12.868 -2.712 7.316 67 HG21 ILE 8 1HG2 ILE 8 -10.601 0.848 8.074 68 HG22 ILE 8 2HG2 ILE 8 -11.717 0.280 9.318 69 HG23 ILE 8 3HG2 ILE 8 -12.342 0.912 7.795 70 HD11 ILE 8 3HD1 ILE 8 -13.014 -1.341 10.014 71 HD12 ILE 8 1HD1 ILE 8 -12.175 -2.860 9.707 72 HD13 ILE 8 2HD1 ILE 8 -13.926 -2.763 9.510 73 H ASN 9 H ASN 9 -11.347 -1.904 3.848 74 HA ASN 9 HA ASN 9 -10.758 -4.679 4.660 75 HB2 ASN 9 1HB ASN 9 -11.944 -5.401 2.733 76 HB3 ASN 9 2HB ASN 9 -12.844 -4.008 3.284 77 HD21 ASN 9 1HD2 ASN 9 -11.206 -1.812 2.084 78 HD22 ASN 9 2HD2 ASN 9 -11.348 -2.171 0.407 79 H LEU 10 H LEU 10 -8.541 -3.001 4.591 80 HA LEU 10 HA LEU 10 -7.449 -2.559 1.987 81 HG LEU 10 HG LEU 10 -7.723 -0.473 3.576 82 HB2 LEU 10 1HB LEU 10 -5.737 -2.517 4.503 83 HB3 LEU 10 2HB LEU 10 -5.471 -1.730 2.993 84 HD11 LEU 10 1HD1 LEU 10 -6.600 -1.218 6.249 85 HD12 LEU 10 2HD1 LEU 10 -8.264 -1.479 5.689 86 HD13 LEU 10 3HD1 LEU 10 -7.660 0.147 5.975 87 HD21 LEU 10 3HD2 LEU 10 -4.987 0.106 4.593 88 HD22 LEU 10 1HD2 LEU 10 -6.320 1.283 4.593 89 HD23 LEU 10 2HD2 LEU 10 -5.732 0.629 3.060 90 H GLN 11 H GLN 11 -6.987 -4.963 4.388 91 HA GLN 11 HA GLN 11 -4.890 -6.300 2.980 92 HB2 GLN 11 1HB GLN 11 -6.346 -6.754 5.521 93 HB3 GLN 11 2HB GLN 11 -5.485 -8.097 4.798 94 HG2 GLN 11 1HG GLN 11 -4.214 -6.803 6.523 95 HG3 GLN 11 2HG GLN 11 -3.409 -6.975 4.971 96 HE21 GLN 11 1HE2 GLN 11 -3.032 -5.173 3.738 97 HE22 GLN 11 2HE2 GLN 11 -3.254 -3.561 4.335 98 H GLU 12 H GLU 12 -8.345 -6.473 3.037 99 HA GLU 12 HA GLU 12 -8.456 -9.163 2.023 100 HB2 GLU 12 1HB GLU 12 -10.591 -7.022 1.959 101 HB3 GLU 12 2HB GLU 12 -10.828 -8.759 1.827 102 HG2 GLU 12 1HG GLU 12 -9.965 -7.223 4.266 103 HG3 GLU 12 2HG GLU 12 -11.494 -8.063 4.017 104 H ILE 13 H ILE 13 -8.308 -5.925 1.011 105 HA ILE 13 HA ILE 13 -8.698 -6.336 -1.732 106 HB ILE 13 HB ILE 13 -7.197 -4.171 -0.283 107 HG12 ILE 13 1HG1 ILE 13 -9.574 -4.015 0.199 108 HG13 ILE 13 2HG1 ILE 13 -9.096 -2.738 -0.917 109 HG21 ILE 13 1HG2 ILE 13 -7.279 -2.940 -2.375 110 HG22 ILE 13 2HG2 ILE 13 -7.958 -4.375 -3.149 111 HG23 ILE 13 3HG2 ILE 13 -6.324 -4.423 -2.476 112 HD11 ILE 13 3HD1 ILE 13 -11.199 -3.574 -1.590 113 HD12 ILE 13 1HD1 ILE 13 -10.595 -5.233 -1.572 114 HD13 ILE 13 2HD1 ILE 13 -9.987 -4.087 -2.769 115 H LEU 14 H LEU 14 -5.792 -5.554 0.102 116 HA LEU 14 HA LEU 14 -3.822 -5.736 -1.699 117 HG LEU 14 HG LEU 14 -1.463 -6.677 -0.091 118 HB2 LEU 14 1HB LEU 14 -3.871 -5.077 0.729 119 HB3 LEU 14 2HB LEU 14 -3.625 -6.765 1.092 120 HD11 LEU 14 1HD1 LEU 14 -0.564 -4.475 -0.687 121 HD12 LEU 14 2HD1 LEU 14 -2.130 -3.744 -0.340 122 HD13 LEU 14 3HD1 LEU 14 -1.963 -4.894 -1.668 123 HD21 LEU 14 3HD2 LEU 14 -1.601 -6.305 2.345 124 HD22 LEU 14 1HD2 LEU 14 -1.892 -4.598 2.036 125 HD23 LEU 14 2HD2 LEU 14 -0.348 -5.323 1.604 126 H GLU 15 H GLU 15 -5.416 -8.387 -0.195 127 HA GLU 15 HA GLU 15 -3.553 -10.420 -0.813 128 HB2 GLU 15 1HB GLU 15 -4.913 -10.617 1.045 129 HB3 GLU 15 2HB GLU 15 -6.390 -10.328 0.139 130 HG2 GLU 15 1HG GLU 15 -6.166 -12.509 -0.917 131 HG3 GLU 15 2HG GLU 15 -4.646 -12.771 -0.058 132 H ASN 16 H ASN 16 -6.092 -8.930 -2.657 133 HA ASN 16 HA ASN 16 -6.007 -11.105 -4.668 134 HB2 ASN 16 1HB ASN 16 -8.479 -9.630 -3.759 135 HB3 ASN 16 2HB ASN 16 -8.410 -10.882 -4.985 136 HD21 ASN 16 1HD2 ASN 16 -8.487 -10.172 -1.579 137 HD22 ASN 16 2HD2 ASN 16 -8.676 -11.795 -1.061 138 H LYS 17 H LYS 17 -5.217 -10.084 -6.550 139 HA LYS 17 HA LYS 17 -5.138 -7.351 -6.935 140 HB2 LYS 17 1HB LYS 17 -4.506 -7.666 -9.231 141 HB3 LYS 17 2HB LYS 17 -3.736 -8.896 -8.259 142 HG2 LYS 17 1HG LYS 17 -6.230 -9.391 -9.871 143 HG3 LYS 17 2HG LYS 17 -4.611 -9.591 -10.529 144 HD2 LYS 17 1HD LYS 17 -4.153 -11.297 -8.816 145 HD3 LYS 17 2HD LYS 17 -5.789 -11.062 -8.177 146 HE2 LYS 17 1HE LYS 17 -6.739 -11.767 -10.289 147 HE3 LYS 17 2HE LYS 17 -5.139 -11.928 -10.986 148 HZ1 LYS 17 3HZ LYS 17 -6.087 -13.553 -8.677 149 HZ2 LYS 17 1HZ LYS 17 -4.662 -13.764 -9.548 150 HZ3 LYS 17 2HZ LYS 17 -6.157 -14.059 -10.260 151 H ARG 18 H ARG 18 -7.731 -9.464 -7.811 152 HA ARG 18 HA ARG 18 -9.182 -7.540 -9.297 153 HE ARG 18 HE ARG 18 -9.683 -12.000 -5.617 154 HB2 ARG 18 1HB ARG 18 -11.262 -8.903 -8.842 155 HB3 ARG 18 2HB ARG 18 -9.935 -9.804 -9.533 156 HG2 ARG 18 1HG ARG 18 -10.280 -9.845 -6.571 157 HG3 ARG 18 2HG ARG 18 -11.395 -10.782 -7.566 158 HD2 ARG 18 1HD ARG 18 -9.547 -12.013 -8.524 159 HD3 ARG 18 2HD ARG 18 -8.374 -11.016 -7.676 160 HH11 ARG 18 1HH1 ARG 18 -8.967 -13.824 -8.545 161 HH12 ARG 18 2HH1 ARG 18 -8.477 -15.224 -7.727 162 HH21 ARG 18 1HH2 ARG 18 -8.952 -13.946 -4.475 163 HH22 ARG 18 2HH2 ARG 18 -8.484 -15.297 -5.380 164 H LEU 19 H LEU 19 -8.885 -8.090 -5.896 165 HA LEU 19 HA LEU 19 -10.924 -6.193 -5.289 166 HG LEU 19 HG LEU 19 -10.880 -8.508 -2.312 167 HB2 LEU 19 1HB LEU 19 -8.979 -7.704 -3.532 168 HB3 LEU 19 2HB LEU 19 -9.929 -6.325 -3.016 169 HD11 LEU 19 1HD1 LEU 19 -12.207 -6.529 -2.332 170 HD12 LEU 19 2HD1 LEU 19 -13.176 -7.911 -2.833 171 HD13 LEU 19 3HD1 LEU 19 -12.603 -6.757 -4.037 172 HD21 LEU 19 3HD2 LEU 19 -10.454 -9.828 -4.332 173 HD22 LEU 19 1HD2 LEU 19 -11.559 -8.794 -5.236 174 HD23 LEU 19 2HD2 LEU 19 -12.170 -9.810 -3.928 175 H LEU 20 H LEU 20 -7.458 -6.180 -5.805 176 HA LEU 20 HA LEU 20 -6.964 -3.609 -4.726 177 HG LEU 20 HG LEU 20 -4.575 -3.955 -4.298 178 HB2 LEU 20 1HB LEU 20 -5.583 -5.281 -6.791 179 HB3 LEU 20 2HB LEU 20 -5.196 -3.563 -6.747 180 HD11 LEU 20 1HD1 LEU 20 -3.936 -6.184 -3.673 181 HD12 LEU 20 2HD1 LEU 20 -4.587 -6.817 -5.172 182 HD13 LEU 20 3HD1 LEU 20 -5.666 -6.075 -3.984 183 HD21 LEU 20 3HD2 LEU 20 -2.974 -5.310 -6.438 184 HD22 LEU 20 1HD2 LEU 20 -2.371 -4.810 -4.858 185 HD23 LEU 20 2HD2 LEU 20 -2.928 -3.598 -6.014 186 H GLU 21 H GLU 21 -7.944 -4.719 -7.851 187 HA GLU 21 HA GLU 21 -8.407 -2.255 -9.025 188 HB2 GLU 21 1HB GLU 21 -9.468 -4.998 -9.460 189 HB3 GLU 21 2HB GLU 21 -10.088 -3.653 -10.397 190 HG2 GLU 21 1HG GLU 21 -7.207 -4.526 -10.241 191 HG3 GLU 21 2HG GLU 21 -8.312 -4.827 -11.583 192 H SER 22 H SER 22 -10.274 -4.005 -6.668 193 HA SER 22 HA SER 22 -12.687 -2.576 -7.125 194 HG SER 22 HG SER 22 -12.056 -5.066 -6.948 195 HB2 SER 22 1HB SER 22 -11.872 -4.081 -4.623 196 HB3 SER 22 2HB SER 22 -13.508 -3.610 -5.087 197 H TYR 23 H TYR 23 -10.073 -2.126 -4.616 198 HA TYR 23 HA TYR 23 -11.452 0.396 -4.006 199 HD1 TYR 23 2HD TYR 23 -7.914 -1.024 -4.044 200 HD2 TYR 23 1HD TYR 23 -8.892 -0.005 -0.035 201 HE1 TYR 23 2HE TYR 23 -5.550 -1.285 -3.405 202 HE2 TYR 23 1HE TYR 23 -6.537 -0.237 0.632 203 HH TYR 23 HH TYR 23 -4.044 -0.597 -1.741 204 HB2 TYR 23 1HB TYR 23 -10.333 0.647 -1.979 205 HB3 TYR 23 2HB TYR 23 -10.678 -1.038 -1.936 206 H MET 24 H MET 24 -9.652 -0.390 -6.274 207 HA MET 24 HA MET 24 -7.417 1.218 -6.306 208 HB2 MET 24 1HB MET 24 -8.219 -0.566 -7.970 209 HB3 MET 24 2HB MET 24 -9.036 0.759 -8.789 210 HG2 MET 24 1HG MET 24 -6.891 0.306 -9.819 211 HG3 MET 24 2HG MET 24 -6.885 1.898 -9.060 212 HE1 MET 24 3HE MET 24 -4.302 0.084 -10.017 213 HE2 MET 24 1HE MET 24 -4.173 1.740 -9.436 214 HE3 MET 24 2HE MET 24 -3.182 0.468 -8.713 215 H ASP 25 H ASP 25 -10.717 2.162 -6.564 216 HA ASP 25 HA ASP 25 -10.520 4.765 -7.604 217 HB2 ASP 25 1HB ASP 25 -12.677 4.030 -7.150 218 HB3 ASP 25 2HB ASP 25 -12.298 3.609 -5.487 219 H CYS 26 H CYS 26 -10.290 3.731 -4.245 220 HA CYS 26 HA CYS 26 -9.653 6.347 -3.508 221 HB2 CYS 26 1HB CYS 26 -9.078 5.055 -1.256 222 HB3 CYS 26 2HB CYS 26 -10.722 5.398 -1.744 223 H VAL 27 H VAL 27 -7.727 3.587 -4.307 224 HA VAL 27 HA VAL 27 -5.349 4.967 -3.465 225 HB VAL 27 HB VAL 27 -5.613 2.391 -5.022 226 HG11 VAL 27 1HG1 VAL 27 -3.169 3.621 -3.731 227 HG12 VAL 27 2HG1 VAL 27 -3.247 2.022 -4.470 228 HG13 VAL 27 3HG1 VAL 27 -3.442 3.466 -5.466 229 HG21 VAL 27 3HG2 VAL 27 -4.992 1.384 -2.855 230 HG22 VAL 27 1HG2 VAL 27 -6.519 2.265 -2.790 231 HG23 VAL 27 2HG2 VAL 27 -5.068 2.997 -2.129 232 H LEU 28 H LEU 28 -6.599 4.113 -6.813 233 HA LEU 28 HA LEU 28 -4.560 5.982 -7.794 234 HG LEU 28 HG LEU 28 -4.092 3.767 -10.849 235 HB2 LEU 28 1HB LEU 28 -4.563 3.562 -8.526 236 HB3 LEU 28 2HB LEU 28 -6.073 3.874 -9.341 237 HD11 LEU 28 1HD1 LEU 28 -5.457 6.436 -10.833 238 HD12 LEU 28 2HD1 LEU 28 -6.026 4.963 -11.623 239 HD13 LEU 28 3HD1 LEU 28 -4.542 5.748 -12.178 240 HD21 LEU 28 3HD2 LEU 28 -3.249 6.298 -9.451 241 HD22 LEU 28 1HD2 LEU 28 -2.511 5.620 -10.905 242 HD23 LEU 28 2HD2 LEU 28 -2.431 4.732 -9.377 243 H GLY 29 H GLY 29 -7.963 5.255 -7.792 244 HA2 GLY 29 1HA GLY 29 -9.542 7.092 -7.982 245 HA3 GLY 29 2HA GLY 29 -8.462 7.818 -9.167 246 H LYS 30 H LYS 30 -9.592 4.451 -8.953 247 HA LYS 30 HA LYS 30 -10.507 4.700 -11.703 248 HB2 LYS 30 1HB LYS 30 -10.108 2.252 -10.006 249 HB3 LYS 30 2HB LYS 30 -10.744 2.198 -11.640 250 HG2 LYS 30 1HG LYS 30 -8.542 3.351 -12.309 251 HG3 LYS 30 2HG LYS 30 -7.991 2.904 -10.687 252 HD2 LYS 30 1HD LYS 30 -8.498 0.548 -11.155 253 HD3 LYS 30 2HD LYS 30 -9.085 0.986 -12.752 254 HE2 LYS 30 1HE LYS 30 -6.832 1.796 -13.346 255 HE3 LYS 30 2HE LYS 30 -6.251 1.307 -11.755 256 HZ1 LYS 30 3HZ LYS 30 -7.398 -0.509 -13.804 257 HZ2 LYS 30 1HZ LYS 30 -6.834 -1.005 -12.305 258 HZ3 LYS 30 2HZ LYS 30 -5.766 -0.383 -13.459 259 H GLY 31 H GLY 31 -11.878 2.871 -8.950 260 HA2 GLY 31 1HA GLY 31 -14.507 3.159 -10.228 261 HA3 GLY 31 2HA GLY 31 -14.088 1.972 -9.012 262 H LYS 32 H LYS 32 -15.054 2.312 -7.059 263 HA LYS 32 HA LYS 32 -15.081 4.982 -6.029 264 HB2 LYS 32 1HB LYS 32 -17.515 5.096 -5.562 265 HB3 LYS 32 2HB LYS 32 -17.123 5.155 -7.269 266 HG2 LYS 32 1HG LYS 32 -17.790 2.820 -7.506 267 HG3 LYS 32 2HG LYS 32 -18.108 2.750 -5.770 268 HD2 LYS 32 1HD LYS 32 -19.836 4.475 -6.026 269 HD3 LYS 32 2HD LYS 32 -19.536 4.495 -7.767 270 HE2 LYS 32 1HE LYS 32 -21.490 3.130 -7.204 271 HE3 LYS 32 2HE LYS 32 -20.211 2.160 -7.929 272 HZ1 LYS 32 3HZ LYS 32 -21.165 1.026 -6.012 273 HZ2 LYS 32 1HZ LYS 32 -20.818 2.337 -5.019 274 HZ3 LYS 32 2HZ LYS 32 -19.582 1.416 -5.694 275 H CYS 33 H CYS 33 -14.000 4.539 -4.239 276 HA CYS 33 HA CYS 33 -15.130 2.787 -2.198 277 HB2 CYS 33 1HB CYS 33 -12.853 4.806 -1.923 278 HB3 CYS 33 2HB CYS 33 -13.147 3.405 -0.904 279 H THR 34 H THR 34 -15.355 4.188 0.102 280 HA THR 34 HA THR 34 -16.900 6.546 -0.553 281 HB THR 34 HB THR 34 -17.385 6.393 1.950 282 HG1 THR 34 1HG THR 34 -16.928 3.812 2.300 283 HG21 THR 34 3HG2 THR 34 -18.209 4.090 0.157 284 HG22 THR 34 1HG2 THR 34 -19.015 5.650 0.286 285 HG23 THR 34 2HG2 THR 34 -19.018 4.542 1.656 286 HA PRO 35 HA PRO 35 -13.835 9.546 0.644 287 HB2 PRO 35 1HB PRO 35 -15.328 10.842 2.705 288 HB3 PRO 35 2HB PRO 35 -15.107 11.367 1.038 289 HG2 PRO 35 1HG PRO 35 -17.393 9.980 2.277 290 HG3 PRO 35 2HG PRO 35 -17.329 10.970 0.815 291 HD2 PRO 35 1HD PRO 35 -17.636 8.274 0.761 292 HD3 PRO 35 2HD PRO 35 -16.837 9.183 -0.534 293 H GLU 36 H GLU 36 -15.513 7.992 3.371 294 HA GLU 36 HA GLU 36 -13.699 8.406 5.457 295 HB2 GLU 36 1HB GLU 36 -15.942 7.274 5.584 296 HB3 GLU 36 2HB GLU 36 -15.219 5.852 4.847 297 HG2 GLU 36 1HG GLU 36 -15.355 5.460 7.172 298 HG3 GLU 36 2HG GLU 36 -13.658 5.786 6.815 299 H GLY 37 H GLY 37 -13.846 5.870 3.031 300 HA2 GLY 37 1HA GLY 37 -11.484 4.523 3.837 301 HA3 GLY 37 2HA GLY 37 -12.381 4.275 2.350 302 H LYS 38 H LYS 38 -12.270 6.900 1.397 303 HA LYS 38 HA LYS 38 -9.830 6.778 -0.026 304 HB2 LYS 38 1HB LYS 38 -11.606 9.233 0.186 305 HB3 LYS 38 2HB LYS 38 -10.440 8.886 -1.085 306 HG2 LYS 38 1HG LYS 38 -11.815 6.847 -1.616 307 HG3 LYS 38 2HG LYS 38 -13.026 7.468 -0.520 308 HD2 LYS 38 1HD LYS 38 -13.691 8.061 -2.737 309 HD3 LYS 38 2HD LYS 38 -13.136 9.534 -1.943 310 HE2 LYS 38 1HE LYS 38 -11.071 9.490 -3.127 311 HE3 LYS 38 2HE LYS 38 -11.374 7.859 -3.725 312 HZ1 LYS 38 3HZ LYS 38 -11.739 9.587 -5.387 313 HZ2 LYS 38 1HZ LYS 38 -12.966 10.265 -4.471 314 HZ3 LYS 38 2HZ LYS 38 -13.129 8.701 -5.112 315 H GLU 39 H GLU 39 -10.647 8.280 2.942 316 HA GLU 39 HA GLU 39 -8.440 10.101 2.962 317 HB2 GLU 39 1HB GLU 39 -10.550 10.578 4.151 318 HB3 GLU 39 2HB GLU 39 -10.262 9.160 5.156 319 HG2 GLU 39 1HG GLU 39 -8.249 10.131 6.015 320 HG3 GLU 39 2HG GLU 39 -8.478 11.524 4.961 321 H LEU 40 H LEU 40 -9.396 7.114 4.592 322 HA LEU 40 HA LEU 40 -7.018 6.923 6.063 323 HG LEU 40 HG LEU 40 -9.391 4.495 4.368 324 HB2 LEU 40 1HB LEU 40 -7.765 4.842 6.834 325 HB3 LEU 40 2HB LEU 40 -9.195 5.800 6.686 326 HD11 LEU 40 1HD1 LEU 40 -7.258 3.310 4.645 327 HD12 LEU 40 2HD1 LEU 40 -8.606 2.188 4.562 328 HD13 LEU 40 3HD1 LEU 40 -7.868 2.563 6.115 329 HD21 LEU 40 3HD2 LEU 40 -11.067 4.487 6.144 330 HD22 LEU 40 1HD2 LEU 40 -10.104 3.326 7.059 331 HD23 LEU 40 2HD2 LEU 40 -10.813 2.858 5.515 332 H LYS 41 H LYS 41 -7.932 5.759 2.953 333 HA LYS 41 HA LYS 41 -5.596 4.152 2.676 334 HB2 LYS 41 1HB LYS 41 -7.756 4.911 0.749 335 HB3 LYS 41 2HB LYS 41 -6.368 3.927 0.279 336 HG2 LYS 41 1HG LYS 41 -7.065 2.127 1.434 337 HG3 LYS 41 2HG LYS 41 -7.776 3.062 2.734 338 HD2 LYS 41 1HD LYS 41 -9.569 3.697 1.115 339 HD3 LYS 41 2HD LYS 41 -8.910 2.448 0.054 340 HE2 LYS 41 1HE LYS 41 -9.259 0.774 1.766 341 HE3 LYS 41 2HE LYS 41 -9.750 2.024 2.898 342 HZ1 LYS 41 3HZ LYS 41 -11.681 2.485 1.568 343 HZ2 LYS 41 1HZ LYS 41 -11.612 0.871 1.990 344 HZ3 LYS 41 2HZ LYS 41 -11.241 1.343 0.420 345 H ASP 42 H ASP 42 -6.407 7.438 1.865 346 HA ASP 42 HA ASP 42 -4.185 7.918 0.203 347 HB2 ASP 42 1HB ASP 42 -5.790 9.668 0.352 348 HB3 ASP 42 2HB ASP 42 -5.674 9.737 2.108 349 H HIS 43 H HIS 43 -4.597 7.895 3.642 350 HA HIS 43 HA HIS 43 -1.925 8.815 4.144 351 HD1 HIS 43 1HD HIS 43 -5.703 9.383 6.723 352 HD2 HIS 43 2HD HIS 43 -2.457 11.192 4.889 353 HE1 HIS 43 1HE HIS 43 -6.304 11.790 6.544 354 HE2 HIS 43 2HE HIS 43 -4.538 12.712 5.055 355 HB2 HIS 43 1HB HIS 43 -4.004 7.728 6.045 356 HB3 HIS 43 2HB HIS 43 -2.465 8.424 6.532 357 H LEU 44 H LEU 44 -3.586 5.686 4.597 358 HA LEU 44 HA LEU 44 -1.236 4.432 5.587 359 HG LEU 44 HG LEU 44 -1.691 2.034 6.384 360 HB2 LEU 44 1HB LEU 44 -3.592 3.780 6.167 361 HB3 LEU 44 2HB LEU 44 -3.779 3.177 4.544 362 HD11 LEU 44 1HD1 LEU 44 -3.362 0.306 6.985 363 HD12 LEU 44 2HD1 LEU 44 -4.609 1.286 6.201 364 HD13 LEU 44 3HD1 LEU 44 -3.754 1.904 7.608 365 HD21 LEU 44 3HD2 LEU 44 -2.067 0.006 5.000 366 HD22 LEU 44 1HD2 LEU 44 -1.526 1.383 4.038 367 HD23 LEU 44 2HD2 LEU 44 -3.216 0.918 4.013 368 H GLN 45 H GLN 45 -2.908 4.343 2.430 369 HA GLN 45 HA GLN 45 -0.957 2.635 1.383 370 HB2 GLN 45 1HB GLN 45 -3.222 4.106 0.124 371 HB3 GLN 45 2HB GLN 45 -1.934 3.524 -0.915 372 HG2 GLN 45 1HG GLN 45 -3.843 1.959 -0.803 373 HG3 GLN 45 2HG GLN 45 -2.348 1.246 -0.231 374 HE21 GLN 45 1HE2 GLN 45 -3.599 -0.367 0.789 375 HE22 GLN 45 2HE2 GLN 45 -4.365 -0.028 2.297 376 H GLU 46 H GLU 46 -0.999 6.134 1.695 377 HA GLU 46 HA GLU 46 1.162 6.424 -0.097 378 HB2 GLU 46 1HB GLU 46 -0.125 8.396 0.680 379 HB3 GLU 46 2HB GLU 46 0.517 8.169 2.295 380 HG2 GLU 46 1HG GLU 46 2.485 8.568 0.086 381 HG3 GLU 46 2HG GLU 46 1.542 9.968 0.612 382 H ALA 47 H ALA 47 0.956 5.574 3.284 383 HA ALA 47 HA ALA 47 3.730 5.601 3.831 384 HB1 ALA 47 3HB ALA 47 1.666 3.803 5.090 385 HB2 ALA 47 1HB ALA 47 3.239 4.276 5.743 386 HB3 ALA 47 2HB ALA 47 1.963 5.486 5.566 387 H LEU 48 H LEU 48 1.749 3.428 2.171 388 HA LEU 48 HA LEU 48 3.685 1.288 1.948 389 HG LEU 48 HG LEU 48 2.492 0.210 -0.723 390 HB2 LEU 48 1HB LEU 48 1.252 0.899 1.925 391 HB3 LEU 48 2HB LEU 48 1.117 1.884 0.487 392 HD11 LEU 48 1HD1 LEU 48 2.752 -2.015 0.300 393 HD12 LEU 48 2HD1 LEU 48 2.154 -1.355 1.818 394 HD13 LEU 48 3HD1 LEU 48 3.662 -0.759 1.133 395 HD21 LEU 48 3HD2 LEU 48 0.088 0.206 -0.934 396 HD22 LEU 48 1HD2 LEU 48 -0.081 -0.740 0.541 397 HD23 LEU 48 2HD2 LEU 48 0.664 -1.458 -0.881 398 H GLU 49 H GLU 49 2.242 3.698 -0.188 399 HA GLU 49 HA GLU 49 3.563 3.185 -2.595 400 HB2 GLU 49 1HB GLU 49 1.447 4.386 -2.393 401 HB3 GLU 49 2HB GLU 49 2.257 5.665 -1.517 402 HG2 GLU 49 1HG GLU 49 3.557 6.166 -3.571 403 HG3 GLU 49 2HG GLU 49 2.563 4.985 -4.428 404 H THR 50 H THR 50 4.044 5.756 -0.286 405 HA THR 50 HA THR 50 6.590 6.495 -1.555 406 HB THR 50 HB THR 50 4.785 8.147 0.219 407 HG1 THR 50 1HG THR 50 4.264 7.421 -2.087 408 HG21 THR 50 3HG2 THR 50 6.141 10.026 -0.578 409 HG22 THR 50 1HG2 THR 50 7.174 8.913 -1.472 410 HG23 THR 50 2HG2 THR 50 7.128 8.850 0.290 411 H GLY 51 H GLY 51 5.035 6.502 1.678 412 HA2 GLY 51 1HA GLY 51 6.210 4.835 3.170 413 HA3 GLY 51 2HA GLY 51 7.665 5.691 2.720 414 H CYS 52 H CYS 52 4.565 7.269 3.545 415 HA CYS 52 HA CYS 52 5.585 8.791 5.596 416 HB2 CYS 52 1HB CYS 52 3.352 8.916 4.291 417 HB3 CYS 52 2HB CYS 52 2.730 7.826 5.510 418 H GLU 53 H GLU 53 6.791 6.633 6.466 419 HA GLU 53 HA GLU 53 5.232 4.963 8.301 420 HB2 GLU 53 1HB GLU 53 7.354 3.761 8.614 421 HB3 GLU 53 2HB GLU 53 6.885 3.872 6.925 422 HG2 GLU 53 1HG GLU 53 8.483 5.662 6.574 423 HG3 GLU 53 2HG GLU 53 8.926 5.620 8.278 424 H LYS 54 H LYS 54 7.112 7.763 8.343 425 HA LYS 54 HA LYS 54 7.979 7.705 11.126 426 HB2 LYS 54 1HB LYS 54 8.701 10.014 10.630 427 HB3 LYS 54 2HB LYS 54 9.288 8.873 9.426 428 HG2 LYS 54 1HG LYS 54 7.613 9.566 7.846 429 HG3 LYS 54 2HG LYS 54 6.808 10.544 9.061 430 HD2 LYS 54 1HD LYS 54 8.642 12.018 9.176 431 HD3 LYS 54 2HD LYS 54 9.604 11.036 8.049 432 HE2 LYS 54 1HE LYS 54 7.871 11.464 6.319 433 HE3 LYS 54 2HE LYS 54 7.003 12.464 7.469 434 HZ1 LYS 54 3HZ LYS 54 9.752 12.998 6.515 435 HZ2 LYS 54 1HZ LYS 54 8.828 13.984 7.530 436 HZ3 LYS 54 2HZ LYS 54 8.356 13.756 5.932 437 H CYS 55 H CYS 55 5.131 7.886 9.825 438 HA CYS 55 HA CYS 55 4.214 10.386 10.832 439 HB2 CYS 55 1HB CYS 55 2.932 8.299 9.097 440 HB3 CYS 55 2HB CYS 55 2.255 9.903 9.401 441 H THR 56 H THR 56 1.371 8.782 10.904 442 HA THR 56 HA THR 56 1.451 8.689 13.792 443 HB THR 56 HB THR 56 -1.063 8.491 13.496 444 HG1 THR 56 1HG THR 56 -1.620 9.253 11.250 445 HG21 THR 56 3HG2 THR 56 0.285 10.859 12.179 446 HG22 THR 56 1HG2 THR 56 0.016 10.668 13.909 447 HG23 THR 56 2HG2 THR 56 -1.358 10.838 12.818 448 H GLU 57 H GLU 57 0.057 6.885 14.818 449 HA GLU 57 HA GLU 57 1.310 4.460 14.457 450 HB2 GLU 57 1HB GLU 57 0.028 5.057 16.475 451 HB3 GLU 57 2HB GLU 57 -1.461 4.880 15.552 452 HG2 GLU 57 1HG GLU 57 -0.787 2.515 15.082 453 HG3 GLU 57 2HG GLU 57 0.528 2.772 16.235 454 H ALA 58 H ALA 58 -1.898 5.380 13.306 455 HA ALA 58 HA ALA 58 -2.592 2.970 12.077 456 HB1 ALA 58 3HB ALA 58 -4.255 4.245 10.817 457 HB2 ALA 58 1HB ALA 58 -4.236 4.724 12.511 458 HB3 ALA 58 2HB ALA 58 -3.470 5.749 11.292 459 H GLN 59 H GLN 59 -0.690 5.648 10.878 460 HA GLN 59 HA GLN 59 -0.679 4.561 8.221 461 HB2 GLN 59 1HB GLN 59 0.962 6.829 9.330 462 HB3 GLN 59 2HB GLN 59 0.784 6.397 7.634 463 HG2 GLN 59 1HG GLN 59 -1.664 6.825 7.862 464 HG3 GLN 59 2HG GLN 59 -1.347 7.436 9.480 465 HE21 GLN 59 1HE2 GLN 59 0.725 7.900 6.708 466 HE22 GLN 59 2HE2 GLN 59 0.487 9.583 6.557 467 H GLU 60 H GLU 60 1.670 4.900 10.860 468 HA GLU 60 HA GLU 60 3.720 3.769 9.423 469 HB2 GLU 60 1HB GLU 60 4.892 3.357 11.626 470 HB3 GLU 60 2HB GLU 60 4.347 4.999 11.356 471 HG2 GLU 60 1HG GLU 60 2.518 4.698 12.828 472 HG3 GLU 60 2HG GLU 60 2.852 2.987 13.037 473 H LYS 61 H LYS 61 1.518 2.260 11.773 474 HA LYS 61 HA LYS 61 2.556 -0.382 11.396 475 HB2 LYS 61 1HB LYS 61 0.213 0.738 12.917 476 HB3 LYS 61 2HB LYS 61 0.487 -0.993 12.793 477 HG2 LYS 61 1HG LYS 61 2.552 -0.855 13.943 478 HG3 LYS 61 2HG LYS 61 2.590 0.897 13.803 479 HD2 LYS 61 1HD LYS 61 1.998 0.119 16.083 480 HD3 LYS 61 2HD LYS 61 0.752 1.104 15.325 481 HE2 LYS 61 1HE LYS 61 -0.551 -0.860 14.822 482 HE3 LYS 61 2HE LYS 61 0.719 -1.904 15.448 483 HZ1 LYS 61 3HZ LYS 61 -1.112 -1.530 17.030 484 HZ2 LYS 61 1HZ LYS 61 -0.752 0.113 17.105 485 HZ3 LYS 61 2HZ LYS 61 0.363 -1.025 17.643 486 H GLY 62 H GLY 62 0.006 1.530 10.053 487 HA2 GLY 62 1HA GLY 62 -1.380 -0.559 8.765 488 HA3 GLY 62 2HA GLY 62 -1.353 1.160 8.268 489 H ALA 63 H ALA 63 1.402 1.408 7.907 490 HA ALA 63 HA ALA 63 1.830 0.393 5.326 491 HB1 ALA 63 3HB ALA 63 3.854 1.397 7.320 492 HB2 ALA 63 1HB ALA 63 4.119 1.205 5.584 493 HB3 ALA 63 2HB ALA 63 2.947 2.386 6.181 494 H GLU 64 H GLU 64 2.968 -0.604 8.485 495 HA GLU 64 HA GLU 64 4.556 -2.801 7.780 496 HB2 GLU 64 1HB GLU 64 2.709 -2.532 10.165 497 HB3 GLU 64 2HB GLU 64 3.947 -3.765 9.986 498 HG2 GLU 64 1HG GLU 64 4.482 -0.796 10.077 499 HG3 GLU 64 2HG GLU 64 4.642 -1.896 11.444 500 H THR 65 H THR 65 1.036 -2.910 8.297 501 HA THR 65 HA THR 65 0.896 -5.663 7.434 502 HB THR 65 HB THR 65 -1.360 -3.656 7.682 503 HG1 THR 65 1HG THR 65 0.120 -5.154 9.557 504 HG21 THR 65 3HG2 THR 65 -1.906 -5.802 6.629 505 HG22 THR 65 1HG2 THR 65 -2.678 -5.634 8.194 506 HG23 THR 65 2HG2 THR 65 -1.251 -6.664 8.031 507 H SER 66 H SER 66 0.208 -2.596 5.707 508 HA SER 66 HA SER 66 -0.624 -3.907 3.410 509 HG SER 66 HG SER 66 0.247 -0.653 4.826 510 HB2 SER 66 1HB SER 66 -0.092 -1.709 2.269 511 HB3 SER 66 2HB SER 66 -1.219 -1.636 3.624 512 H ILE 67 H ILE 67 2.639 -2.859 4.324 513 HA ILE 67 HA ILE 67 3.890 -3.627 1.928 514 HB ILE 67 HB ILE 67 4.958 -3.368 4.757 515 HG12 ILE 67 1HG1 ILE 67 5.513 -1.686 2.321 516 HG13 ILE 67 2HG1 ILE 67 4.236 -1.310 3.486 517 HG21 ILE 67 1HG2 ILE 67 6.371 -5.015 3.615 518 HG22 ILE 67 2HG2 ILE 67 7.243 -3.502 3.865 519 HG23 ILE 67 3HG2 ILE 67 6.599 -3.893 2.272 520 HD11 ILE 67 3HD1 ILE 67 6.182 0.043 3.854 521 HD12 ILE 67 1HD1 ILE 67 7.211 -1.400 3.958 522 HD13 ILE 67 2HD1 ILE 67 5.983 -1.086 5.197 523 H ASP 68 H ASP 68 2.999 -5.427 4.788 524 HA ASP 68 HA ASP 68 4.425 -7.772 4.381 525 HB2 ASP 68 1HB ASP 68 3.307 -7.408 6.461 526 HB3 ASP 68 2HB ASP 68 1.741 -7.318 5.676 527 H TYR 69 H TYR 69 0.988 -7.186 3.324 528 HA TYR 69 HA TYR 69 1.273 -9.708 1.933 529 HD1 TYR 69 2HD TYR 69 -0.845 -9.717 -0.710 530 HD2 TYR 69 1HD TYR 69 -1.769 -10.924 3.255 531 HE1 TYR 69 2HE TYR 69 -1.654 -11.881 -1.561 532 HE2 TYR 69 1HE TYR 69 -2.577 -13.079 2.416 533 HH TYR 69 HH TYR 69 -3.447 -14.035 0.346 534 HB2 TYR 69 1HB TYR 69 -1.073 -8.777 2.905 535 HB3 TYR 69 2HB TYR 69 -1.156 -8.058 1.302 536 H LEU 70 H LEU 70 1.583 -6.350 1.042 537 HA LEU 70 HA LEU 70 1.206 -6.622 -1.702 538 HG LEU 70 HG LEU 70 3.265 -4.902 -2.713 539 HB2 LEU 70 1HB LEU 70 1.364 -4.434 -0.486 540 HB3 LEU 70 2HB LEU 70 3.072 -4.732 -0.280 541 HD11 LEU 70 1HD1 LEU 70 0.504 -3.704 -2.683 542 HD12 LEU 70 2HD1 LEU 70 0.993 -5.255 -3.372 543 HD13 LEU 70 3HD1 LEU 70 1.551 -3.752 -4.101 544 HD21 LEU 70 3HD2 LEU 70 2.397 -2.232 -1.643 545 HD22 LEU 70 1HD2 LEU 70 3.342 -2.483 -3.101 546 HD23 LEU 70 2HD2 LEU 70 4.018 -2.924 -1.529 547 H ILE 71 H ILE 71 4.155 -6.729 0.289 548 HA ILE 71 HA ILE 71 5.805 -7.211 -1.941 549 HB ILE 71 HB ILE 71 6.428 -7.706 0.986 550 HG12 ILE 71 1HG1 ILE 71 5.861 -5.365 0.521 551 HG13 ILE 71 2HG1 ILE 71 7.565 -5.534 0.910 552 HG21 ILE 71 1HG2 ILE 71 8.793 -7.608 0.308 553 HG22 ILE 71 2HG2 ILE 71 8.300 -7.461 -1.378 554 HG23 ILE 71 3HG2 ILE 71 7.953 -8.942 -0.490 555 HD11 ILE 71 3HD1 ILE 71 8.092 -5.402 -1.479 556 HD12 ILE 71 1HD1 ILE 71 7.240 -3.971 -0.885 557 HD13 ILE 71 2HD1 ILE 71 6.369 -5.183 -1.827 558 H LYS 72 H LYS 72 4.143 -9.427 0.304 559 HA LYS 72 HA LYS 72 5.652 -11.547 -0.895 560 HB2 LYS 72 1HB LYS 72 4.497 -13.149 0.503 561 HB3 LYS 72 2HB LYS 72 5.113 -11.828 1.457 562 HG2 LYS 72 1HG LYS 72 2.789 -10.892 1.462 563 HG3 LYS 72 2HG LYS 72 2.248 -12.399 0.707 564 HD2 LYS 72 1HD LYS 72 3.274 -13.648 2.612 565 HD3 LYS 72 2HD LYS 72 3.652 -12.110 3.374 566 HE2 LYS 72 1HE LYS 72 1.681 -12.879 4.409 567 HE3 LYS 72 2HE LYS 72 1.156 -11.624 3.290 568 HZ1 LYS 72 3HZ LYS 72 -0.287 -13.575 3.180 569 HZ2 LYS 72 1HZ LYS 72 1.028 -14.545 2.850 570 HZ3 LYS 72 2HZ LYS 72 0.554 -13.443 1.706 571 H ASN 73 H ASN 73 2.954 -9.933 -2.033 572 HA ASN 73 HA ASN 73 2.610 -12.221 -3.831 573 HB2 ASN 73 1HB ASN 73 0.846 -12.318 -2.048 574 HB3 ASN 73 2HB ASN 73 0.194 -10.822 -2.703 575 HD21 ASN 73 1HD2 ASN 73 -1.045 -10.909 -4.619 576 HD22 ASN 73 2HD2 ASN 73 -1.434 -12.398 -5.360 577 H GLU 74 H GLU 74 1.452 -8.837 -3.426 578 HA GLU 74 HA GLU 74 1.287 -8.653 -6.354 579 HB2 GLU 74 1HB GLU 74 0.175 -6.906 -4.161 580 HB3 GLU 74 2HB GLU 74 0.063 -6.499 -5.867 581 HG2 GLU 74 1HG GLU 74 -1.154 -8.890 -4.496 582 HG3 GLU 74 2HG GLU 74 -2.004 -7.456 -5.066 583 H LEU 75 H LEU 75 3.865 -8.639 -5.314 584 HA LEU 75 HA LEU 75 4.809 -6.076 -4.694 585 HG LEU 75 HG LEU 75 7.626 -9.291 -5.041 586 HB2 LEU 75 1HB LEU 75 7.103 -6.916 -4.817 587 HB3 LEU 75 2HB LEU 75 6.063 -7.952 -3.885 588 HD11 LEU 75 1HD1 LEU 75 6.303 -10.801 -6.377 589 HD12 LEU 75 2HD1 LEU 75 5.010 -9.604 -6.449 590 HD13 LEU 75 3HD1 LEU 75 5.478 -10.307 -4.898 591 HD21 LEU 75 3HD2 LEU 75 6.777 -7.991 -7.619 592 HD22 LEU 75 1HD2 LEU 75 7.883 -9.357 -7.475 593 HD23 LEU 75 2HD2 LEU 75 8.322 -7.791 -6.796 594 H GLU 76 H GLU 76 4.005 -7.192 -7.753 595 HA GLU 76 HA GLU 76 5.849 -5.708 -9.299 596 HB2 GLU 76 1HB GLU 76 2.996 -6.466 -9.924 597 HB3 GLU 76 2HB GLU 76 4.115 -5.780 -11.089 598 HG2 GLU 76 1HG GLU 76 4.368 -8.433 -9.695 599 HG3 GLU 76 2HG GLU 76 3.929 -8.170 -11.381 600 H ILE 77 H ILE 77 2.779 -4.913 -7.801 601 HA ILE 77 HA ILE 77 2.680 -2.309 -8.923 602 HB ILE 77 HB ILE 77 1.104 -3.520 -6.619 603 HG12 ILE 77 1HG1 ILE 77 0.446 -2.982 -9.521 604 HG13 ILE 77 2HG1 ILE 77 0.740 -4.554 -8.767 605 HG21 ILE 77 1HG2 ILE 77 0.632 -0.882 -8.045 606 HG22 ILE 77 2HG2 ILE 77 1.173 -1.060 -6.376 607 HG23 ILE 77 3HG2 ILE 77 -0.435 -1.610 -6.844 608 HD11 ILE 77 3HD1 ILE 77 -1.552 -2.703 -8.168 609 HD12 ILE 77 1HD1 ILE 77 -1.281 -4.291 -7.455 610 HD13 ILE 77 2HD1 ILE 77 -1.621 -4.145 -9.181 611 H TRP 78 H TRP 78 4.175 -3.689 -6.167 612 HA TRP 78 HA TRP 78 4.706 -1.320 -4.725 613 HD1 TRP 78 HD TRP 78 5.969 -1.158 -2.198 614 HE1 TRP 78 1HE TRP 78 8.319 -0.653 -1.335 615 HE3 TRP 78 3HE TRP 78 8.625 -4.253 -5.281 616 HZ2 TRP 78 2HZ TRP 78 10.986 -1.477 -1.888 617 HZ3 TRP 78 3HZ TRP 78 11.070 -4.338 -5.044 618 HH2 TRP 78 HH TRP 78 12.221 -2.977 -3.383 619 HB2 TRP 78 1HB TRP 78 5.143 -3.455 -3.669 620 HB3 TRP 78 2HB TRP 78 6.282 -3.894 -4.936 621 H LYS 79 H LYS 79 6.399 -2.954 -7.342 622 HA LYS 79 HA LYS 79 8.648 -1.302 -7.662 623 HB2 LYS 79 1HB LYS 79 6.965 -2.634 -9.780 624 HB3 LYS 79 2HB LYS 79 8.589 -2.018 -10.025 625 HG2 LYS 79 1HG LYS 79 9.512 -3.693 -8.535 626 HG3 LYS 79 2HG LYS 79 7.889 -4.261 -8.124 627 HD2 LYS 79 1HD LYS 79 7.516 -4.918 -10.441 628 HD3 LYS 79 2HD LYS 79 9.100 -4.308 -10.886 629 HE2 LYS 79 1HE LYS 79 8.616 -6.542 -8.916 630 HE3 LYS 79 2HE LYS 79 8.970 -6.782 -10.620 631 HZ1 LYS 79 3HZ LYS 79 10.794 -5.505 -8.629 632 HZ2 LYS 79 1HZ LYS 79 11.104 -5.677 -10.272 633 HZ3 LYS 79 2HZ LYS 79 10.954 -7.032 -9.303 634 H GLU 80 H GLU 80 5.436 -1.128 -8.948 635 HA GLU 80 HA GLU 80 5.703 1.155 -10.563 636 HB2 GLU 80 1HB GLU 80 3.252 -0.043 -9.279 637 HB3 GLU 80 2HB GLU 80 3.267 1.048 -10.663 638 HG2 GLU 80 1HG GLU 80 4.766 -1.522 -10.703 639 HG3 GLU 80 2HG GLU 80 3.073 -1.537 -11.098 640 H LEU 81 H LEU 81 4.671 0.728 -7.186 641 HA LEU 81 HA LEU 81 4.019 3.488 -6.818 642 HG LEU 81 HG LEU 81 2.814 0.612 -5.863 643 HB2 LEU 81 1HB LEU 81 4.740 1.624 -4.512 644 HB3 LEU 81 2HB LEU 81 3.844 3.093 -4.524 645 HD11 LEU 81 1HD1 LEU 81 1.314 0.399 -3.965 646 HD12 LEU 81 2HD1 LEU 81 2.094 1.772 -3.175 647 HD13 LEU 81 3HD1 LEU 81 3.001 0.279 -3.454 648 HD21 LEU 81 3HD2 LEU 81 0.689 1.823 -5.878 649 HD22 LEU 81 1HD2 LEU 81 1.924 2.696 -6.783 650 HD23 LEU 81 2HD2 LEU 81 1.476 3.230 -5.163 651 H THR 82 H THR 82 6.901 1.574 -6.482 652 HA THR 82 HA THR 82 8.465 3.516 -5.163 653 HB THR 82 HB THR 82 9.467 1.474 -7.183 654 HG1 THR 82 1HG THR 82 8.167 0.802 -5.128 655 HG21 THR 82 3HG2 THR 82 10.836 2.842 -4.855 656 HG22 THR 82 1HG2 THR 82 11.118 3.184 -6.566 657 HG23 THR 82 2HG2 THR 82 11.567 1.610 -5.893 658 H ALA 83 H ALA 83 7.763 2.868 -8.544 659 HA ALA 83 HA ALA 83 9.387 4.916 -9.631 660 HB1 ALA 83 3HB ALA 83 8.566 3.021 -10.966 661 HB2 ALA 83 1HB ALA 83 6.920 3.626 -10.793 662 HB3 ALA 83 2HB ALA 83 8.114 4.565 -11.687 663 H HIS 84 H HIS 84 6.273 4.868 -8.206 664 HA HIS 84 HA HIS 84 5.336 7.342 -9.216 665 HD1 HIS 84 1HD HIS 84 1.624 6.863 -8.542 666 HD2 HIS 84 2HD HIS 84 4.077 8.678 -5.724 667 HE1 HIS 84 1HE HIS 84 0.251 8.682 -7.526 668 HE2 HIS 84 2HE HIS 84 1.623 9.404 -5.564 669 HB2 HIS 84 1HB HIS 84 3.790 5.654 -8.290 670 HB3 HIS 84 2HB HIS 84 4.525 5.833 -6.711 671 H PHE 85 H PHE 85 7.191 6.465 -6.284 672 HA PHE 85 HA PHE 85 7.129 9.298 -5.676 673 HD1 PHE 85 2HD PHE 85 7.385 5.296 -4.070 674 HD2 PHE 85 1HD PHE 85 10.120 8.332 -2.913 675 HE1 PHE 85 2HE PHE 85 8.955 3.577 -3.235 676 HE2 PHE 85 1HE PHE 85 11.681 6.627 -2.081 677 HZ PHE 85 HZ PHE 85 11.098 4.246 -2.248 678 HB2 PHE 85 1HB PHE 85 7.892 8.885 -3.453 679 HB3 PHE 85 2HB PHE 85 6.676 7.680 -3.794 680 H ASP 86 H ASP 86 9.572 6.798 -6.314 681 HA ASP 86 HA ASP 86 11.296 8.585 -7.579 682 HB2 ASP 86 1HB ASP 86 11.722 9.524 -5.391 683 HB3 ASP 86 2HB ASP 86 12.003 7.929 -4.713 684 HA PRO 87 HA PRO 87 12.120 4.210 -8.485 685 HB2 PRO 87 1HB PRO 87 12.715 4.592 -11.101 686 HB3 PRO 87 2HB PRO 87 11.064 4.403 -10.522 687 HG2 PRO 87 1HG PRO 87 12.542 6.866 -11.312 688 HG3 PRO 87 2HG PRO 87 10.824 6.479 -11.504 689 HD2 PRO 87 1HD PRO 87 11.849 8.139 -9.563 690 HD3 PRO 87 2HD PRO 87 10.298 7.295 -9.436 691 H ASP 88 H ASP 88 14.120 6.973 -8.522 692 HA ASP 88 HA ASP 88 16.425 5.442 -9.475 693 HB2 ASP 88 1HB ASP 88 16.070 7.774 -10.307 694 HB3 ASP 88 2HB ASP 88 16.312 8.347 -8.663 695 H GLY 89 H GLY 89 14.946 6.502 -6.617 696 HA2 GLY 89 1HA GLY 89 17.237 6.568 -4.953 697 HA3 GLY 89 2HA GLY 89 15.558 6.522 -4.440 698 H LYS 90 H LYS 90 18.124 5.070 -3.724 699 HA LYS 90 HA LYS 90 17.679 2.299 -4.259 700 HB2 LYS 90 1HB LYS 90 19.437 1.907 -2.629 701 HB3 LYS 90 2HB LYS 90 19.909 3.138 -3.792 702 HG2 LYS 90 1HG LYS 90 19.688 4.868 -2.229 703 HG3 LYS 90 2HG LYS 90 18.718 3.871 -1.145 704 HD2 LYS 90 1HD LYS 90 20.536 2.492 -0.697 705 HD3 LYS 90 2HD LYS 90 21.603 3.362 -1.813 706 HE2 LYS 90 1HE LYS 90 21.316 5.394 -0.450 707 HE3 LYS 90 2HE LYS 90 20.300 4.496 0.677 708 HZ1 LYS 90 3HZ LYS 90 22.163 3.097 1.206 709 HZ2 LYS 90 1HZ LYS 90 22.576 4.704 1.455 710 HZ3 LYS 90 2HZ LYS 90 23.147 3.878 0.094 711 H TRP 91 H TRP 91 16.050 4.389 -2.290 712 HA TRP 91 HA TRP 91 15.883 2.914 0.085 713 HD1 TRP 91 HD TRP 91 15.879 4.881 2.427 714 HE1 TRP 91 1HE TRP 91 17.697 6.676 2.567 715 HE3 TRP 91 3HE TRP 91 15.667 6.608 -2.369 716 HZ2 TRP 91 2HZ TRP 91 18.902 8.591 0.862 717 HZ3 TRP 91 3HZ TRP 91 17.187 8.425 -3.041 718 HH2 TRP 91 HH TRP 91 18.770 9.394 -1.456 719 HB2 TRP 91 1HB TRP 91 14.120 5.125 -0.955 720 HB3 TRP 91 2HB TRP 91 13.938 4.415 0.651 721 H ARG 92 H ARG 92 14.836 2.054 -2.702 722 HA ARG 92 HA ARG 92 12.336 0.783 -2.171 723 HE ARG 92 HE ARG 92 15.251 1.854 -5.565 724 HB2 ARG 92 1HB ARG 92 12.730 -0.425 -4.220 725 HB3 ARG 92 2HB ARG 92 13.375 1.191 -4.464 726 HG2 ARG 92 1HG ARG 92 15.635 0.201 -3.811 727 HG3 ARG 92 2HG ARG 92 14.877 -1.372 -4.029 728 HD2 ARG 92 1HD ARG 92 15.915 -0.905 -6.065 729 HD3 ARG 92 2HD ARG 92 14.211 -0.527 -6.330 730 HH11 ARG 92 1HH1 ARG 92 15.996 -0.423 -8.164 731 HH12 ARG 92 2HH1 ARG 92 16.830 0.718 -9.108 732 HH21 ARG 92 1HH2 ARG 92 16.379 3.396 -6.854 733 HH22 ARG 92 2HH2 ARG 92 17.062 2.946 -8.352 734 H LYS 93 H LYS 93 15.733 0.091 -1.605 735 HA LYS 93 HA LYS 93 15.344 -2.623 -0.860 736 HB2 LYS 93 1HB LYS 93 17.464 -1.667 -1.842 737 HB3 LYS 93 2HB LYS 93 17.746 -0.886 -0.291 738 HG2 LYS 93 1HG LYS 93 17.867 -3.011 0.814 739 HG3 LYS 93 2HG LYS 93 17.435 -3.851 -0.674 740 HD2 LYS 93 1HD LYS 93 19.503 -2.857 -1.701 741 HD3 LYS 93 2HD LYS 93 19.941 -2.306 -0.079 742 HE2 LYS 93 1HE LYS 93 21.032 -4.417 -0.577 743 HE3 LYS 93 2HE LYS 93 19.849 -4.607 0.718 744 HZ1 LYS 93 3HZ LYS 93 18.296 -5.600 -0.874 745 HZ2 LYS 93 1HZ LYS 93 19.780 -6.411 -0.945 746 HZ3 LYS 93 2HZ LYS 93 19.372 -5.295 -2.126 747 H LYS 94 H LYS 94 15.277 0.465 0.699 748 HA LYS 94 HA LYS 94 15.477 -0.306 3.384 749 HB2 LYS 94 1HB LYS 94 15.492 2.014 2.596 750 HB3 LYS 94 2HB LYS 94 13.835 1.845 2.049 751 HG2 LYS 94 1HG LYS 94 13.389 1.255 4.552 752 HG3 LYS 94 2HG LYS 94 14.910 2.123 4.800 753 HD2 LYS 94 1HD LYS 94 14.005 3.975 3.469 754 HD3 LYS 94 2HD LYS 94 12.456 3.144 3.406 755 HE2 LYS 94 1HE LYS 94 12.532 3.081 5.941 756 HE3 LYS 94 2HE LYS 94 13.848 4.252 5.822 757 HZ1 LYS 94 3HZ LYS 94 12.185 5.631 4.444 758 HZ2 LYS 94 1HZ LYS 94 11.880 5.465 6.101 759 HZ3 LYS 94 2HZ LYS 94 11.032 4.534 5.065 760 H TYR 95 H TYR 95 12.785 -0.110 1.084 761 HA TYR 95 HA TYR 95 10.910 -1.062 3.005 762 HD1 TYR 95 1HD TYR 95 9.043 0.426 3.176 763 HD2 TYR 95 2HD TYR 95 10.890 1.499 -0.490 764 HE1 TYR 95 1HE TYR 95 8.748 2.802 3.731 765 HE2 TYR 95 2HE TYR 95 10.595 3.879 0.054 766 HH TYR 95 HH TYR 95 9.078 5.216 1.498 767 HB2 TYR 95 1HB TYR 95 10.600 -0.759 0.013 768 HB3 TYR 95 2HB TYR 95 9.280 -1.180 1.114 769 H GLU 96 H GLU 96 12.939 -2.558 0.680 770 HA GLU 96 HA GLU 96 11.897 -5.176 0.761 771 HB2 GLU 96 1HB GLU 96 13.571 -4.453 -0.888 772 HB3 GLU 96 2HB GLU 96 14.722 -4.149 0.397 773 HG2 GLU 96 1HG GLU 96 14.922 -6.509 0.837 774 HG3 GLU 96 2HG GLU 96 13.646 -6.863 -0.330 775 H ASP 97 H ASP 97 14.329 -3.509 2.702 776 HA ASP 97 HA ASP 97 14.953 -5.479 4.591 777 HB2 ASP 97 1HB ASP 97 16.221 -3.395 4.381 778 HB3 ASP 97 2HB ASP 97 14.821 -2.471 4.896 779 H ARG 98 H ARG 98 12.570 -2.865 4.727 780 HA ARG 98 HA ARG 98 11.398 -3.563 7.159 781 HE ARG 98 HE ARG 98 8.817 -0.504 7.657 782 HB2 ARG 98 1HB ARG 98 10.018 -2.181 4.823 783 HB3 ARG 98 2HB ARG 98 9.353 -2.357 6.424 784 HG2 ARG 98 1HG ARG 98 11.204 -1.049 7.363 785 HG3 ARG 98 2HG ARG 98 11.852 -0.825 5.737 786 HD2 ARG 98 1HD ARG 98 10.562 1.144 6.398 787 HD3 ARG 98 2HD ARG 98 9.767 0.305 5.076 788 HH11 ARG 98 1HH1 ARG 98 8.487 2.130 5.344 789 HH12 ARG 98 2HH1 ARG 98 6.824 2.377 5.584 790 HH21 ARG 98 1HH2 ARG 98 6.565 -0.148 8.113 791 HH22 ARG 98 2HH2 ARG 98 5.692 1.067 7.296 792 H ALA 99 H ALA 99 10.705 -4.794 3.931 793 HA ALA 99 HA ALA 99 8.425 -6.301 4.666 794 HB1 ALA 99 3HB ALA 99 8.994 -5.692 2.346 795 HB2 ALA 99 1HB ALA 99 10.378 -6.783 2.427 796 HB3 ALA 99 2HB ALA 99 8.744 -7.431 2.548 797 H LYS 100 H LYS 100 11.827 -7.147 4.247 798 HA LYS 100 HA LYS 100 11.649 -9.847 4.812 799 HB2 LYS 100 1HB LYS 100 13.609 -8.591 3.852 800 HB3 LYS 100 2HB LYS 100 13.969 -8.031 5.474 801 HG2 LYS 100 1HG LYS 100 15.400 -9.878 4.904 802 HG3 LYS 100 2HG LYS 100 14.279 -10.367 6.179 803 HD2 LYS 100 1HD LYS 100 12.870 -11.478 4.528 804 HD3 LYS 100 2HD LYS 100 13.949 -10.946 3.240 805 HE2 LYS 100 1HE LYS 100 14.820 -12.685 5.538 806 HE3 LYS 100 2HE LYS 100 14.274 -13.310 3.985 807 HZ1 LYS 100 3HZ LYS 100 16.060 -12.380 2.906 808 HZ2 LYS 100 1HZ LYS 100 16.727 -13.061 4.269 809 HZ3 LYS 100 2HZ LYS 100 16.526 -11.371 4.156 810 H ALA 101 H ALA 101 11.917 -7.108 6.977 811 HA ALA 101 HA ALA 101 12.359 -8.582 9.364 812 HB1 ALA 101 3HB ALA 101 13.009 -6.257 9.127 813 HB2 ALA 101 1HB ALA 101 11.318 -5.783 8.998 814 HB3 ALA 101 2HB ALA 101 11.929 -6.472 10.505 815 H LYS 102 H LYS 102 9.568 -8.190 7.513 816 HA LYS 102 HA LYS 102 7.696 -8.508 9.762 817 HB2 LYS 102 1HB LYS 102 7.246 -8.122 6.793 818 HB3 LYS 102 2HB LYS 102 5.945 -8.242 7.968 819 HG2 LYS 102 1HG LYS 102 6.516 -6.300 8.992 820 HG3 LYS 102 2HG LYS 102 8.067 -6.219 8.151 821 HD2 LYS 102 1HD LYS 102 6.987 -5.864 6.065 822 HD3 LYS 102 2HD LYS 102 5.399 -6.156 6.786 823 HE2 LYS 102 1HE LYS 102 5.969 -3.750 6.494 824 HE3 LYS 102 2HE LYS 102 5.563 -4.298 8.131 825 HZ1 LYS 102 3HZ LYS 102 7.753 -4.289 8.756 826 HZ2 LYS 102 1HZ LYS 102 7.439 -2.800 8.089 827 HZ3 LYS 102 2HZ LYS 102 8.376 -4.009 7.245 828 H GLY 103 H GLY 103 9.664 -10.465 8.250 829 HA2 GLY 103 1HA GLY 103 9.648 -12.784 8.330 830 HA3 GLY 103 2HA GLY 103 7.904 -12.745 8.559 831 H ILE 104 H ILE 104 8.747 -10.679 6.105 832 HA ILE 104 HA ILE 104 7.643 -12.414 4.104 833 HB ILE 104 HB ILE 104 8.974 -9.705 3.778 834 HG12 ILE 104 1HG1 ILE 104 7.073 -9.526 5.294 835 HG13 ILE 104 2HG1 ILE 104 6.703 -8.748 3.758 836 HG21 ILE 104 1HG2 ILE 104 7.746 -9.555 1.673 837 HG22 ILE 104 2HG2 ILE 104 7.124 -11.191 1.919 838 HG23 ILE 104 3HG2 ILE 104 8.856 -10.927 1.694 839 HD11 ILE 104 3HD1 ILE 104 4.848 -10.010 4.693 840 HD12 ILE 104 1HD1 ILE 104 5.800 -11.489 4.585 841 HD13 ILE 104 2HD1 ILE 104 5.348 -10.601 3.116 842 H VAL 105 H VAL 105 8.809 -13.808 2.979 843 HA VAL 105 HA VAL 105 11.680 -13.513 3.135 844 HB VAL 105 HB VAL 105 10.907 -15.653 3.935 845 HG11 VAL 105 1HG1 VAL 105 9.756 -17.293 2.548 846 HG12 VAL 105 2HG1 VAL 105 8.796 -15.836 2.780 847 HG13 VAL 105 3HG1 VAL 105 9.632 -16.105 1.249 848 HG21 VAL 105 3HG2 VAL 105 12.200 -17.197 2.507 849 HG22 VAL 105 1HG2 VAL 105 13.052 -15.679 2.801 850 HG23 VAL 105 2HG2 VAL 105 12.258 -15.959 1.254 851 H ILE 106 H ILE 106 12.464 -12.298 1.635 852 HA ILE 106 HA ILE 106 11.925 -13.112 -1.087 853 HB ILE 106 HB ILE 106 12.317 -10.848 -1.933 854 HG12 ILE 106 1HG1 ILE 106 13.699 -10.042 -0.019 855 HG13 ILE 106 2HG1 ILE 106 12.543 -8.855 -0.607 856 HG21 ILE 106 1HG2 ILE 106 10.065 -10.919 0.028 857 HG22 ILE 106 2HG2 ILE 106 10.057 -11.490 -1.640 858 HG23 ILE 106 3HG2 ILE 106 10.227 -9.766 -1.301 859 HD11 ILE 106 3HD1 ILE 106 12.672 -8.804 1.821 860 HD12 ILE 106 1HD1 ILE 106 12.285 -10.522 1.905 861 HD13 ILE 106 2HD1 ILE 106 11.082 -9.373 1.319 862 HA PRO 107 HA PRO 107 16.258 -13.870 -0.914 863 HB2 PRO 107 1HB PRO 107 16.319 -13.484 -3.826 864 HB3 PRO 107 2HB PRO 107 16.711 -14.903 -2.844 865 HG2 PRO 107 1HG PRO 107 14.476 -14.785 -4.362 866 HG3 PRO 107 2HG PRO 107 14.547 -15.668 -2.827 867 HD2 PRO 107 1HD PRO 107 13.368 -12.993 -3.419 868 HD3 PRO 107 2HD PRO 107 12.794 -14.289 -2.341 869 H GLU 108 H GLU 108 17.225 -12.187 -0.041 870 HA GLU 108 HA GLU 108 17.675 -9.821 -1.640 871 HB2 GLU 108 1HB GLU 108 18.549 -8.810 0.478 872 HB3 GLU 108 2HB GLU 108 16.877 -9.321 0.594 873 HG2 GLU 108 1HG GLU 108 17.557 -11.311 1.817 874 HG3 GLU 108 2HG GLU 108 19.248 -10.842 1.655 Start of MODEL 8 1 HA TYR 1 HA TYR 1 -22.092 0.303 1.707 2 HD1 TYR 1 2HD TYR 1 -24.598 -1.192 1.865 3 HD2 TYR 1 1HD TYR 1 -22.424 -2.248 -1.627 4 HE1 TYR 1 2HE TYR 1 -26.685 -1.168 0.564 5 HE2 TYR 1 1HE TYR 1 -24.508 -2.230 -2.938 6 HH TYR 1 HH TYR 1 -26.880 -2.465 -2.576 7 H1 TYR 1 1HT TYR 1 -21.879 0.335 -0.701 8 H2 TYR 1 2HT TYR 1 -20.380 -0.453 -0.566 9 H3 TYR 1 3HT TYR 1 -20.581 1.100 0.074 10 HB2 TYR 1 1HB TYR 1 -21.403 -2.409 0.523 11 HB3 TYR 1 2HB TYR 1 -22.320 -2.144 1.998 12 H THR 2 H THR 2 -21.172 -1.331 3.519 13 HA THR 2 HA THR 2 -18.381 -0.668 3.811 14 HB THR 2 HB THR 2 -20.284 -2.222 5.612 15 HG1 THR 2 1HG THR 2 -19.463 0.486 5.860 16 HG21 THR 2 3HG2 THR 2 -18.685 -1.579 7.406 17 HG22 THR 2 1HG2 THR 2 -17.623 -0.902 6.178 18 HG23 THR 2 2HG2 THR 2 -17.950 -2.635 6.198 19 H ASP 3 H ASP 3 -16.767 -2.334 4.073 20 HA ASP 3 HA ASP 3 -15.686 -4.224 3.660 21 HB2 ASP 3 1HB ASP 3 -17.222 -5.723 4.674 22 HB3 ASP 3 2HB ASP 3 -18.443 -5.450 3.448 23 H LYS 4 H LYS 4 -14.631 -3.437 2.181 24 HA LYS 4 HA LYS 4 -13.519 -3.520 0.251 25 HB2 LYS 4 1HB LYS 4 -15.967 -4.687 -1.111 26 HB3 LYS 4 2HB LYS 4 -14.595 -4.095 -2.016 27 HG2 LYS 4 1HG LYS 4 -14.299 -6.410 -1.934 28 HG3 LYS 4 2HG LYS 4 -13.221 -5.800 -0.674 29 HD2 LYS 4 1HD LYS 4 -14.830 -6.272 0.991 30 HD3 LYS 4 2HD LYS 4 -15.994 -6.730 -0.261 31 HE2 LYS 4 1HE LYS 4 -14.534 -8.618 -0.887 32 HE3 LYS 4 2HE LYS 4 -13.415 -8.166 0.398 33 HZ1 LYS 4 3HZ LYS 4 -14.814 -9.899 1.257 34 HZ2 LYS 4 1HZ LYS 4 -16.204 -9.115 0.712 35 HZ3 LYS 4 2HZ LYS 4 -15.350 -8.436 1.951 36 H TYR 5 H TYR 5 -12.953 -1.950 -0.809 37 HA TYR 5 HA TYR 5 -12.720 0.047 -1.621 38 HD1 TYR 5 2HD TYR 5 -16.514 1.760 -1.922 39 HD2 TYR 5 1HD TYR 5 -15.917 -2.074 -3.678 40 HE1 TYR 5 2HE TYR 5 -18.938 1.361 -1.869 41 HE2 TYR 5 1HE TYR 5 -18.332 -2.486 -3.629 42 HH TYR 5 HH TYR 5 -20.583 -0.089 -3.185 43 HB2 TYR 5 1HB TYR 5 -14.313 1.082 -3.198 44 HB3 TYR 5 2HB TYR 5 -14.100 -0.588 -3.525 45 H ASP 6 H ASP 6 -14.747 -0.415 0.834 46 HA ASP 6 HA ASP 6 -15.550 2.259 1.250 47 HB2 ASP 6 1HB ASP 6 -16.470 1.406 3.346 48 HB3 ASP 6 2HB ASP 6 -16.907 0.360 2.010 49 H LYS 7 H LYS 7 -13.417 0.168 3.111 50 HA LYS 7 HA LYS 7 -11.590 2.213 3.896 51 HB2 LYS 7 1HB LYS 7 -13.576 3.149 5.011 52 HB3 LYS 7 2HB LYS 7 -13.854 1.596 5.780 53 HG2 LYS 7 1HG LYS 7 -11.687 1.871 7.025 54 HG3 LYS 7 2HG LYS 7 -11.559 3.485 6.318 55 HD2 LYS 7 1HD LYS 7 -13.564 4.203 7.428 56 HD3 LYS 7 2HD LYS 7 -13.876 2.573 8.011 57 HE2 LYS 7 1HE LYS 7 -12.962 3.983 9.790 58 HE3 LYS 7 2HE LYS 7 -11.865 2.669 9.397 59 HZ1 LYS 7 3HZ LYS 7 -11.553 5.486 8.430 60 HZ2 LYS 7 1HZ LYS 7 -10.467 4.204 8.194 61 HZ3 LYS 7 2HZ LYS 7 -10.724 4.777 9.730 62 H ILE 8 H ILE 8 -13.491 -0.263 5.627 63 HA ILE 8 HA ILE 8 -11.094 -1.431 6.678 64 HB ILE 8 HB ILE 8 -12.677 -2.920 7.967 65 HG12 ILE 8 1HG1 ILE 8 -14.794 -1.041 6.883 66 HG13 ILE 8 2HG1 ILE 8 -14.605 -2.720 6.387 67 HG21 ILE 8 1HG2 ILE 8 -12.995 0.061 8.290 68 HG22 ILE 8 2HG2 ILE 8 -11.712 -0.937 8.973 69 HG23 ILE 8 3HG2 ILE 8 -13.376 -1.142 9.520 70 HD11 ILE 8 3HD1 ILE 8 -15.093 -3.414 8.701 71 HD12 ILE 8 1HD1 ILE 8 -16.411 -2.473 8.001 72 HD13 ILE 8 2HD1 ILE 8 -15.301 -1.723 9.150 73 H ASN 9 H ASN 9 -10.435 -1.952 4.665 74 HA ASN 9 HA ASN 9 -11.128 -4.643 3.807 75 HB2 ASN 9 1HB ASN 9 -11.870 -4.067 1.627 76 HB3 ASN 9 2HB ASN 9 -12.735 -2.974 2.697 77 HD21 ASN 9 1HD2 ASN 9 -10.548 -1.068 3.099 78 HD22 ASN 9 2HD2 ASN 9 -10.077 -0.489 1.569 79 H LEU 10 H LEU 10 -8.716 -2.657 4.640 80 HA LEU 10 HA LEU 10 -7.164 -2.014 2.378 81 HG LEU 10 HG LEU 10 -7.970 -0.677 4.862 82 HB2 LEU 10 1HB LEU 10 -6.129 -2.564 5.169 83 HB3 LEU 10 2HB LEU 10 -5.347 -1.688 3.890 84 HD11 LEU 10 1HD1 LEU 10 -6.565 -1.015 6.844 85 HD12 LEU 10 2HD1 LEU 10 -6.731 0.697 6.458 86 HD13 LEU 10 3HD1 LEU 10 -5.249 -0.174 6.039 87 HD21 LEU 10 3HD2 LEU 10 -6.912 1.432 4.139 88 HD22 LEU 10 1HD2 LEU 10 -7.071 0.231 2.842 89 HD23 LEU 10 2HD2 LEU 10 -5.504 0.491 3.616 90 H GLN 11 H GLN 11 -7.015 -4.713 4.549 91 HA GLN 11 HA GLN 11 -4.865 -5.962 3.066 92 HB2 GLN 11 1HB GLN 11 -4.999 -5.849 5.588 93 HB3 GLN 11 2HB GLN 11 -6.366 -6.941 5.481 94 HG2 GLN 11 1HG GLN 11 -4.318 -8.094 6.075 95 HG3 GLN 11 2HG GLN 11 -4.963 -8.660 4.538 96 HE21 GLN 11 1HE2 GLN 11 -3.315 -5.572 4.620 97 HE22 GLN 11 2HE2 GLN 11 -1.864 -6.101 3.904 98 H GLU 12 H GLU 12 -8.292 -5.958 3.371 99 HA GLU 12 HA GLU 12 -8.844 -8.703 2.740 100 HB2 GLU 12 1HB GLU 12 -10.473 -7.238 3.864 101 HB3 GLU 12 2HB GLU 12 -10.488 -6.176 2.466 102 HG2 GLU 12 1HG GLU 12 -12.467 -7.485 2.463 103 HG3 GLU 12 2HG GLU 12 -11.431 -8.008 1.131 104 H ILE 13 H ILE 13 -8.633 -5.713 1.112 105 HA ILE 13 HA ILE 13 -9.253 -6.525 -1.487 106 HB ILE 13 HB ILE 13 -7.892 -4.164 -0.290 107 HG12 ILE 13 1HG1 ILE 13 -10.222 -4.315 0.184 108 HG13 ILE 13 2HG1 ILE 13 -9.932 -3.017 -0.961 109 HG21 ILE 13 1HG2 ILE 13 -8.649 -4.575 -3.125 110 HG22 ILE 13 2HG2 ILE 13 -7.017 -4.588 -2.467 111 HG23 ILE 13 3HG2 ILE 13 -7.979 -3.098 -2.419 112 HD11 ILE 13 3HD1 ILE 13 -11.895 -4.126 -1.636 113 HD12 ILE 13 1HD1 ILE 13 -11.111 -5.712 -1.492 114 HD13 ILE 13 2HD1 ILE 13 -10.585 -4.587 -2.739 115 H LEU 14 H LEU 14 -6.184 -5.616 0.096 116 HA LEU 14 HA LEU 14 -4.412 -5.885 -1.888 117 HG LEU 14 HG LEU 14 -2.032 -7.120 -0.410 118 HB2 LEU 14 1HB LEU 14 -4.066 -5.054 0.377 119 HB3 LEU 14 2HB LEU 14 -4.045 -6.702 0.957 120 HD11 LEU 14 1HD1 LEU 14 -0.836 -5.230 -1.359 121 HD12 LEU 14 2HD1 LEU 14 -2.148 -4.145 -0.907 122 HD13 LEU 14 3HD1 LEU 14 -2.413 -5.399 -2.120 123 HD21 LEU 14 3HD2 LEU 14 -1.949 -4.835 1.519 124 HD22 LEU 14 1HD2 LEU 14 -0.553 -5.803 1.062 125 HD23 LEU 14 2HD2 LEU 14 -1.880 -6.543 1.935 126 H GLU 15 H GLU 15 -5.853 -8.508 -0.090 127 HA GLU 15 HA GLU 15 -4.047 -10.490 -0.838 128 HB2 GLU 15 1HB GLU 15 -5.366 -10.835 1.022 129 HB3 GLU 15 2HB GLU 15 -6.892 -10.617 0.153 130 HG2 GLU 15 1HG GLU 15 -6.408 -12.718 -1.078 131 HG3 GLU 15 2HG GLU 15 -4.948 -12.913 -0.114 132 H ASN 16 H ASN 16 -6.615 -9.075 -2.716 133 HA ASN 16 HA ASN 16 -6.074 -11.118 -4.746 134 HB2 ASN 16 1HB ASN 16 -8.775 -10.058 -3.992 135 HB3 ASN 16 2HB ASN 16 -8.472 -10.894 -5.508 136 HD21 ASN 16 1HD2 ASN 16 -8.852 -11.170 -2.118 137 HD22 ASN 16 2HD2 ASN 16 -8.865 -12.883 -2.053 138 H LYS 17 H LYS 17 -5.492 -10.331 -6.671 139 HA LYS 17 HA LYS 17 -5.144 -7.622 -7.158 140 HB2 LYS 17 1HB LYS 17 -4.769 -8.089 -9.535 141 HB3 LYS 17 2HB LYS 17 -3.965 -9.284 -8.546 142 HG2 LYS 17 1HG LYS 17 -6.652 -9.803 -9.787 143 HG3 LYS 17 2HG LYS 17 -5.164 -10.023 -10.689 144 HD2 LYS 17 1HD LYS 17 -5.629 -11.403 -8.050 145 HD3 LYS 17 2HD LYS 17 -6.256 -12.060 -9.548 146 HE2 LYS 17 1HE LYS 17 -4.221 -13.180 -9.347 147 HE3 LYS 17 2HE LYS 17 -3.802 -11.841 -10.393 148 HZ1 LYS 17 3HZ LYS 17 -2.925 -10.693 -8.263 149 HZ2 LYS 17 1HZ LYS 17 -2.116 -12.085 -8.764 150 HZ3 LYS 17 2HZ LYS 17 -3.199 -12.170 -7.520 151 H ARG 18 H ARG 18 -7.856 -9.576 -7.958 152 HA ARG 18 HA ARG 18 -9.303 -7.571 -9.340 153 HE ARG 18 HE ARG 18 -9.846 -12.719 -6.415 154 HB2 ARG 18 1HB ARG 18 -11.322 -9.041 -9.020 155 HB3 ARG 18 2HB ARG 18 -9.978 -9.782 -9.857 156 HG2 ARG 18 1HG ARG 18 -10.510 -10.249 -6.918 157 HG3 ARG 18 2HG ARG 18 -11.269 -11.213 -8.181 158 HD2 ARG 18 1HD ARG 18 -8.920 -11.745 -9.006 159 HD3 ARG 18 2HD ARG 18 -8.292 -11.040 -7.522 160 HH11 ARG 18 1HH1 ARG 18 -8.212 -13.326 -9.529 161 HH12 ARG 18 2HH1 ARG 18 -7.946 -14.968 -9.219 162 HH21 ARG 18 1HH2 ARG 18 -9.476 -14.982 -6.030 163 HH22 ARG 18 2HH2 ARG 18 -8.700 -15.937 -7.204 164 H LEU 19 H LEU 19 -9.157 -8.442 -5.953 165 HA LEU 19 HA LEU 19 -11.279 -6.670 -5.321 166 HG LEU 19 HG LEU 19 -10.805 -9.634 -4.287 167 HB2 LEU 19 1HB LEU 19 -9.212 -7.945 -3.531 168 HB3 LEU 19 2HB LEU 19 -10.526 -6.932 -2.976 169 HD11 LEU 19 1HD1 LEU 19 -11.481 -8.692 -1.514 170 HD12 LEU 19 2HD1 LEU 19 -10.045 -9.602 -1.940 171 HD13 LEU 19 3HD1 LEU 19 -11.642 -10.334 -2.143 172 HD21 LEU 19 3HD2 LEU 19 -13.200 -9.373 -3.789 173 HD22 LEU 19 1HD2 LEU 19 -12.635 -8.203 -4.982 174 HD23 LEU 19 2HD2 LEU 19 -12.901 -7.703 -3.314 175 H LEU 20 H LEU 20 -7.891 -6.480 -5.808 176 HA LEU 20 HA LEU 20 -7.339 -4.041 -4.498 177 HG LEU 20 HG LEU 20 -4.956 -2.977 -5.708 178 HB2 LEU 20 1HB LEU 20 -5.823 -5.876 -5.725 179 HB3 LEU 20 2HB LEU 20 -5.998 -4.768 -7.068 180 HD11 LEU 20 1HD1 LEU 20 -5.635 -3.779 -3.494 181 HD12 LEU 20 2HD1 LEU 20 -3.874 -3.622 -3.573 182 HD13 LEU 20 3HD1 LEU 20 -4.629 -5.208 -3.710 183 HD21 LEU 20 3HD2 LEU 20 -2.717 -3.900 -5.708 184 HD22 LEU 20 1HD2 LEU 20 -3.586 -4.425 -7.156 185 HD23 LEU 20 2HD2 LEU 20 -3.378 -5.530 -5.786 186 H GLU 21 H GLU 21 -8.320 -4.902 -7.708 187 HA GLU 21 HA GLU 21 -8.735 -2.403 -8.820 188 HB2 GLU 21 1HB GLU 21 -10.146 -5.020 -9.237 189 HB3 GLU 21 2HB GLU 21 -10.361 -3.619 -10.268 190 HG2 GLU 21 1HG GLU 21 -7.741 -5.013 -9.780 191 HG3 GLU 21 2HG GLU 21 -8.779 -5.266 -11.182 192 H SER 22 H SER 22 -10.721 -4.264 -6.590 193 HA SER 22 HA SER 22 -13.021 -2.664 -6.852 194 HG SER 22 HG SER 22 -12.637 -5.168 -6.800 195 HB2 SER 22 1HB SER 22 -12.363 -4.294 -4.324 196 HB3 SER 22 2HB SER 22 -13.907 -3.712 -4.885 197 H TYR 23 H TYR 23 -10.197 -2.224 -4.602 198 HA TYR 23 HA TYR 23 -11.556 0.325 -4.009 199 HD1 TYR 23 2HD TYR 23 -8.049 -1.096 -3.850 200 HD2 TYR 23 1HD TYR 23 -9.231 -0.178 0.120 201 HE1 TYR 23 2HE TYR 23 -5.760 -1.549 -3.061 202 HE2 TYR 23 1HE TYR 23 -6.977 -0.584 0.941 203 HH TYR 23 HH TYR 23 -5.003 -1.954 0.182 204 HB2 TYR 23 1HB TYR 23 -10.434 0.683 -1.950 205 HB3 TYR 23 2HB TYR 23 -10.917 -0.966 -1.797 206 H MET 24 H MET 24 -9.846 -0.485 -6.225 207 HA MET 24 HA MET 24 -7.548 1.051 -6.329 208 HB2 MET 24 1HB MET 24 -9.202 -0.239 -8.346 209 HB3 MET 24 2HB MET 24 -8.297 1.156 -8.924 210 HG2 MET 24 1HG MET 24 -7.098 -1.190 -7.474 211 HG3 MET 24 2HG MET 24 -7.093 -0.972 -9.221 212 HE1 MET 24 3HE MET 24 -4.449 -1.484 -7.530 213 HE2 MET 24 1HE MET 24 -4.462 -1.253 -9.277 214 HE3 MET 24 2HE MET 24 -3.359 -0.314 -8.271 215 H ASP 25 H ASP 25 -10.750 2.253 -6.538 216 HA ASP 25 HA ASP 25 -10.290 4.749 -7.777 217 HB2 ASP 25 1HB ASP 25 -12.504 4.237 -7.334 218 HB3 ASP 25 2HB ASP 25 -12.200 3.918 -5.635 219 H CYS 26 H CYS 26 -10.026 3.825 -4.471 220 HA CYS 26 HA CYS 26 -9.210 6.460 -3.812 221 HB2 CYS 26 1HB CYS 26 -8.907 5.272 -1.483 222 HB3 CYS 26 2HB CYS 26 -10.497 5.716 -2.116 223 H VAL 27 H VAL 27 -7.597 3.441 -4.424 224 HA VAL 27 HA VAL 27 -5.119 4.567 -3.506 225 HB VAL 27 HB VAL 27 -5.621 2.022 -5.081 226 HG11 VAL 27 1HG1 VAL 27 -3.082 2.993 -3.746 227 HG12 VAL 27 2HG1 VAL 27 -3.314 1.408 -4.488 228 HG13 VAL 27 3HG1 VAL 27 -3.343 2.865 -5.484 229 HG21 VAL 27 3HG2 VAL 27 -4.998 2.503 -2.173 230 HG22 VAL 27 1HG2 VAL 27 -5.175 0.928 -2.942 231 HG23 VAL 27 2HG2 VAL 27 -6.559 2.016 -2.835 232 H LEU 28 H LEU 28 -6.372 3.747 -6.832 233 HA LEU 28 HA LEU 28 -4.219 5.482 -7.819 234 HG LEU 28 HG LEU 28 -4.862 5.091 -10.849 235 HB2 LEU 28 1HB LEU 28 -4.192 3.161 -8.630 236 HB3 LEU 28 2HB LEU 28 -5.787 3.383 -9.310 237 HD11 LEU 28 1HD1 LEU 28 -2.961 5.831 -9.542 238 HD12 LEU 28 2HD1 LEU 28 -2.430 5.249 -11.124 239 HD13 LEU 28 3HD1 LEU 28 -2.212 4.238 -9.693 240 HD21 LEU 28 3HD2 LEU 28 -3.511 2.396 -10.939 241 HD22 LEU 28 1HD2 LEU 28 -3.672 3.518 -12.294 242 HD23 LEU 28 2HD2 LEU 28 -5.111 2.792 -11.579 243 H GLY 29 H GLY 29 -7.647 4.966 -7.905 244 HA2 GLY 29 1HA GLY 29 -9.089 6.927 -8.165 245 HA3 GLY 29 2HA GLY 29 -7.960 7.512 -9.382 246 H LYS 30 H LYS 30 -9.296 4.223 -9.045 247 HA LYS 30 HA LYS 30 -10.113 4.412 -11.824 248 HB2 LYS 30 1HB LYS 30 -10.073 2.017 -10.011 249 HB3 LYS 30 2HB LYS 30 -10.482 1.978 -11.718 250 HG2 LYS 30 1HG LYS 30 -8.143 2.919 -12.122 251 HG3 LYS 30 2HG LYS 30 -7.863 2.539 -10.412 252 HD2 LYS 30 1HD LYS 30 -8.432 0.186 -10.823 253 HD3 LYS 30 2HD LYS 30 -8.746 0.553 -12.516 254 HE2 LYS 30 1HE LYS 30 -6.389 1.221 -12.780 255 HE3 LYS 30 2HE LYS 30 -6.095 0.792 -11.097 256 HZ1 LYS 30 3HZ LYS 30 -7.013 -1.089 -13.202 257 HZ2 LYS 30 1HZ LYS 30 -6.692 -1.511 -11.618 258 HZ3 LYS 30 2HZ LYS 30 -5.440 -1.015 -12.605 259 H GLY 31 H GLY 31 -11.754 2.916 -8.995 260 HA2 GLY 31 1HA GLY 31 -14.301 3.352 -10.413 261 HA3 GLY 31 2HA GLY 31 -14.053 2.233 -9.089 262 H LYS 32 H LYS 32 -14.893 2.811 -7.198 263 HA LYS 32 HA LYS 32 -14.837 5.530 -6.327 264 HB2 LYS 32 1HB LYS 32 -17.272 5.643 -5.809 265 HB3 LYS 32 2HB LYS 32 -16.890 5.710 -7.519 266 HG2 LYS 32 1HG LYS 32 -17.563 3.394 -7.791 267 HG3 LYS 32 2HG LYS 32 -17.830 3.255 -6.054 268 HD2 LYS 32 1HD LYS 32 -19.300 5.182 -7.843 269 HD3 LYS 32 2HD LYS 32 -19.921 3.586 -7.411 270 HE2 LYS 32 1HE LYS 32 -19.918 4.223 -5.050 271 HE3 LYS 32 2HE LYS 32 -19.262 5.802 -5.442 272 HZ1 LYS 32 3HZ LYS 32 -21.890 4.734 -6.289 273 HZ2 LYS 32 1HZ LYS 32 -21.291 6.244 -6.727 274 HZ3 LYS 32 2HZ LYS 32 -21.636 5.911 -5.109 275 H CYS 33 H CYS 33 -13.997 5.360 -4.432 276 HA CYS 33 HA CYS 33 -14.943 3.374 -2.479 277 HB2 CYS 33 1HB CYS 33 -12.603 5.336 -2.285 278 HB3 CYS 33 2HB CYS 33 -12.977 4.014 -1.169 279 H THR 34 H THR 34 -15.059 4.535 -0.125 280 HA THR 34 HA THR 34 -16.746 6.844 -0.448 281 HB THR 34 HB THR 34 -16.987 6.610 2.045 282 HG1 THR 34 1HG THR 34 -16.050 4.576 2.875 283 HG21 THR 34 3HG2 THR 34 -18.223 4.513 2.003 284 HG22 THR 34 1HG2 THR 34 -17.368 4.018 0.537 285 HG23 THR 34 2HG2 THR 34 -18.470 5.390 0.492 286 HA PRO 35 HA PRO 35 -13.663 10.025 0.283 287 HB2 PRO 35 1HB PRO 35 -14.887 11.336 2.464 288 HB3 PRO 35 2HB PRO 35 -15.095 11.741 0.761 289 HG2 PRO 35 1HG PRO 35 -16.830 10.096 2.542 290 HG3 PRO 35 2HG PRO 35 -17.292 11.176 1.213 291 HD2 PRO 35 1HD PRO 35 -17.365 8.527 0.931 292 HD3 PRO 35 2HD PRO 35 -16.817 9.563 -0.403 293 H GLU 36 H GLU 36 -14.996 8.638 3.210 294 HA GLU 36 HA GLU 36 -13.013 8.898 5.096 295 HB2 GLU 36 1HB GLU 36 -15.149 7.976 5.612 296 HB3 GLU 36 2HB GLU 36 -14.958 6.693 4.440 297 HG2 GLU 36 1HG GLU 36 -14.796 5.790 6.634 298 HG3 GLU 36 2HG GLU 36 -13.221 5.700 5.859 299 H GLY 37 H GLY 37 -13.404 6.368 2.681 300 HA2 GLY 37 1HA GLY 37 -11.054 4.939 3.453 301 HA3 GLY 37 2HA GLY 37 -12.081 4.599 2.073 302 H LYS 38 H LYS 38 -11.935 7.149 0.940 303 HA LYS 38 HA LYS 38 -9.716 6.972 -0.773 304 HB2 LYS 38 1HB LYS 38 -11.268 9.450 -0.016 305 HB3 LYS 38 2HB LYS 38 -10.115 9.370 -1.334 306 HG2 LYS 38 1HG LYS 38 -11.505 7.750 -2.455 307 HG3 LYS 38 2HG LYS 38 -12.682 7.797 -1.144 308 HD2 LYS 38 1HD LYS 38 -12.937 10.268 -1.529 309 HD3 LYS 38 2HD LYS 38 -11.887 10.109 -2.920 310 HE2 LYS 38 1HE LYS 38 -14.458 8.561 -2.672 311 HE3 LYS 38 2HE LYS 38 -14.401 10.176 -3.355 312 HZ1 LYS 38 3HZ LYS 38 -14.315 8.565 -5.091 313 HZ2 LYS 38 1HZ LYS 38 -12.992 7.763 -4.433 314 HZ3 LYS 38 2HZ LYS 38 -12.824 9.321 -5.015 315 H GLU 39 H GLU 39 -10.093 8.642 2.208 316 HA GLU 39 HA GLU 39 -7.602 10.050 1.940 317 HB2 GLU 39 1HB GLU 39 -9.576 11.057 3.036 318 HB3 GLU 39 2HB GLU 39 -9.453 9.840 4.281 319 HG2 GLU 39 1HG GLU 39 -7.386 10.557 5.032 320 HG3 GLU 39 2HG GLU 39 -7.160 11.585 3.621 321 H LEU 40 H LEU 40 -8.987 7.598 4.008 322 HA LEU 40 HA LEU 40 -6.939 6.871 5.650 323 HG LEU 40 HG LEU 40 -7.139 3.958 4.565 324 HB2 LEU 40 1HB LEU 40 -8.966 5.769 5.943 325 HB3 LEU 40 2HB LEU 40 -9.090 5.348 4.245 326 HD11 LEU 40 1HD1 LEU 40 -6.279 4.669 6.682 327 HD12 LEU 40 2HD1 LEU 40 -6.755 2.978 6.858 328 HD13 LEU 40 3HD1 LEU 40 -7.787 4.256 7.498 329 HD21 LEU 40 3HD2 LEU 40 -8.405 1.991 5.410 330 HD22 LEU 40 1HD2 LEU 40 -9.243 2.935 4.198 331 HD23 LEU 40 2HD2 LEU 40 -9.691 3.088 5.903 332 H LYS 41 H LYS 41 -7.600 5.602 2.425 333 HA LYS 41 HA LYS 41 -5.350 3.846 2.514 334 HB2 LYS 41 1HB LYS 41 -7.171 4.489 0.219 335 HB3 LYS 41 2HB LYS 41 -6.110 3.086 0.377 336 HG2 LYS 41 1HG LYS 41 -7.369 2.156 2.089 337 HG3 LYS 41 2HG LYS 41 -8.231 3.662 2.399 338 HD2 LYS 41 1HD LYS 41 -9.107 3.444 0.054 339 HD3 LYS 41 2HD LYS 41 -8.474 1.803 0.095 340 HE2 LYS 41 1HE LYS 41 -9.878 1.281 2.000 341 HE3 LYS 41 2HE LYS 41 -10.435 2.954 2.068 342 HZ1 LYS 41 3HZ LYS 41 -12.120 1.771 0.930 343 HZ2 LYS 41 1HZ LYS 41 -11.008 0.981 -0.089 344 HZ3 LYS 41 2HZ LYS 41 -11.270 2.615 -0.234 345 H ASP 42 H ASP 42 -6.002 7.008 1.257 346 HA ASP 42 HA ASP 42 -3.909 7.224 -0.570 347 HB2 ASP 42 1HB ASP 42 -5.609 8.975 -0.270 348 HB3 ASP 42 2HB ASP 42 -4.972 9.322 1.333 349 H HIS 43 H HIS 43 -4.000 7.971 2.881 350 HA HIS 43 HA HIS 43 -1.154 8.397 2.912 351 HD1 HIS 43 1HD HIS 43 -0.522 10.838 3.657 352 HD2 HIS 43 2HD HIS 43 -4.582 10.695 4.554 353 HE1 HIS 43 1HE HIS 43 -1.395 13.140 3.221 354 HE2 HIS 43 2HE HIS 43 -3.771 13.080 4.057 355 HB2 HIS 43 1HB HIS 43 -3.159 8.495 5.116 356 HB3 HIS 43 2HB HIS 43 -1.442 8.804 5.368 357 H LEU 44 H LEU 44 -3.218 5.751 3.731 358 HA LEU 44 HA LEU 44 -1.189 4.453 5.273 359 HG LEU 44 HG LEU 44 -1.906 2.302 6.279 360 HB2 LEU 44 1HB LEU 44 -3.647 4.172 5.600 361 HB3 LEU 44 2HB LEU 44 -3.698 3.281 4.099 362 HD11 LEU 44 1HD1 LEU 44 -3.873 1.064 7.181 363 HD12 LEU 44 2HD1 LEU 44 -4.890 2.029 6.120 364 HD13 LEU 44 3HD1 LEU 44 -3.971 2.811 7.402 365 HD21 LEU 44 3HD2 LEU 44 -2.563 0.127 5.331 366 HD22 LEU 44 1HD2 LEU 44 -1.907 1.185 4.081 367 HD23 LEU 44 2HD2 LEU 44 -3.645 0.938 4.199 368 H GLN 45 H GLN 45 -2.573 3.822 2.031 369 HA GLN 45 HA GLN 45 -0.503 2.089 1.395 370 HB2 GLN 45 1HB GLN 45 -2.658 3.400 -0.208 371 HB3 GLN 45 2HB GLN 45 -1.284 2.757 -1.095 372 HG2 GLN 45 1HG GLN 45 -3.182 1.159 -0.974 373 HG3 GLN 45 2HG GLN 45 -1.712 0.520 -0.269 374 HE21 GLN 45 1HE2 GLN 45 -2.825 -1.051 0.940 375 HE22 GLN 45 2HE2 GLN 45 -3.734 -0.669 2.338 376 H GLU 46 H GLU 46 -0.644 5.547 1.329 377 HA GLU 46 HA GLU 46 1.686 6.322 -0.005 378 HB2 GLU 46 1HB GLU 46 0.236 7.910 1.129 379 HB3 GLU 46 2HB GLU 46 0.549 7.143 2.669 380 HG2 GLU 46 1HG GLU 46 2.952 7.895 2.348 381 HG3 GLU 46 2HG GLU 46 2.326 8.948 1.073 382 H ALA 47 H ALA 47 1.272 5.203 3.322 383 HA ALA 47 HA ALA 47 3.999 5.105 4.023 384 HB1 ALA 47 3HB ALA 47 3.192 3.835 5.955 385 HB2 ALA 47 1HB ALA 47 2.266 5.324 5.689 386 HB3 ALA 47 2HB ALA 47 1.597 3.750 5.218 387 H LEU 48 H LEU 48 1.798 2.800 2.653 388 HA LEU 48 HA LEU 48 3.249 0.424 2.758 389 HG LEU 48 HG LEU 48 2.694 0.078 -0.556 390 HB2 LEU 48 1HB LEU 48 1.050 0.297 1.962 391 HB3 LEU 48 2HB LEU 48 1.322 1.593 0.817 392 HD11 LEU 48 1HD1 LEU 48 2.693 -2.296 -0.162 393 HD12 LEU 48 2HD1 LEU 48 1.742 -2.077 1.301 394 HD13 LEU 48 3HD1 LEU 48 3.386 -1.444 1.214 395 HD21 LEU 48 3HD2 LEU 48 0.315 0.490 -0.941 396 HD22 LEU 48 1HD2 LEU 48 -0.081 -0.933 0.012 397 HD23 LEU 48 2HD2 LEU 48 0.820 -1.087 -1.510 398 H GLU 49 H GLU 49 3.365 3.020 0.366 399 HA GLU 49 HA GLU 49 5.290 2.020 -1.394 400 HB2 GLU 49 1HB GLU 49 3.919 4.028 -1.797 401 HB3 GLU 49 2HB GLU 49 4.681 4.842 -0.461 402 HG2 GLU 49 1HG GLU 49 6.175 4.021 -2.942 403 HG3 GLU 49 2HG GLU 49 5.351 5.565 -2.775 404 H THR 50 H THR 50 5.645 4.239 1.189 405 HA THR 50 HA THR 50 7.436 3.173 2.880 406 HB THR 50 HB THR 50 8.886 5.004 0.878 407 HG1 THR 50 1HG THR 50 8.706 2.492 0.941 408 HG21 THR 50 3HG2 THR 50 9.443 5.656 3.190 409 HG22 THR 50 1HG2 THR 50 10.834 4.921 2.388 410 HG23 THR 50 2HG2 THR 50 9.892 3.987 3.548 411 H GLY 51 H GLY 51 6.682 6.099 1.065 412 HA2 GLY 51 1HA GLY 51 6.048 8.237 1.723 413 HA3 GLY 51 2HA GLY 51 4.755 7.246 2.362 414 H CYS 52 H CYS 52 4.470 7.081 4.449 415 HA CYS 52 HA CYS 52 6.587 7.747 6.241 416 HB2 CYS 52 1HB CYS 52 5.488 9.918 5.943 417 HB3 CYS 52 2HB CYS 52 3.942 9.196 6.374 418 H GLU 53 H GLU 53 6.442 5.499 6.429 419 HA GLU 53 HA GLU 53 4.253 4.087 7.483 420 HB2 GLU 53 1HB GLU 53 6.172 2.934 6.497 421 HB3 GLU 53 2HB GLU 53 7.232 3.580 7.735 422 HG2 GLU 53 1HG GLU 53 6.046 2.284 9.431 423 HG3 GLU 53 2HG GLU 53 4.978 1.635 8.191 424 H LYS 54 H LYS 54 6.925 5.695 9.079 425 HA LYS 54 HA LYS 54 5.915 5.012 11.659 426 HB2 LYS 54 1HB LYS 54 7.767 6.524 12.539 427 HB3 LYS 54 2HB LYS 54 8.240 5.103 11.648 428 HG2 LYS 54 1HG LYS 54 9.669 6.948 11.084 429 HG3 LYS 54 2HG LYS 54 8.713 6.523 9.680 430 HD2 LYS 54 1HD LYS 54 7.293 8.443 10.017 431 HD3 LYS 54 2HD LYS 54 8.062 8.786 11.565 432 HE2 LYS 54 1HE LYS 54 8.900 10.302 9.877 433 HE3 LYS 54 2HE LYS 54 10.183 9.227 10.406 434 HZ1 LYS 54 3HZ LYS 54 9.742 7.897 8.327 435 HZ2 LYS 54 1HZ LYS 54 10.269 9.480 8.059 436 HZ3 LYS 54 2HZ LYS 54 8.671 9.133 7.856 437 H CYS 55 H CYS 55 4.229 6.721 9.932 438 HA CYS 55 HA CYS 55 4.030 9.170 11.371 439 HB2 CYS 55 1HB CYS 55 2.644 8.091 9.035 440 HB3 CYS 55 2HB CYS 55 1.708 9.208 10.008 441 H THR 56 H THR 56 0.848 7.733 10.879 442 HA THR 56 HA THR 56 0.473 8.074 13.732 443 HB THR 56 HB THR 56 -1.947 7.925 13.131 444 HG1 THR 56 1HG THR 56 -1.832 8.412 10.544 445 HG21 THR 56 3HG2 THR 56 -2.060 10.134 12.030 446 HG22 THR 56 1HG2 THR 56 -0.353 10.000 11.612 447 HG23 THR 56 2HG2 THR 56 -0.841 10.118 13.303 448 H GLU 57 H GLU 57 -1.062 6.477 14.740 449 HA GLU 57 HA GLU 57 -0.151 3.884 14.726 450 HB2 GLU 57 1HB GLU 57 -2.231 3.319 15.961 451 HB3 GLU 57 2HB GLU 57 -1.439 4.762 16.570 452 HG2 GLU 57 1HG GLU 57 -3.055 6.137 15.292 453 HG3 GLU 57 2HG GLU 57 -3.877 4.660 14.807 454 H ALA 58 H ALA 58 -2.759 5.260 12.844 455 HA ALA 58 HA ALA 58 -3.708 2.812 11.744 456 HB1 ALA 58 3HB ALA 58 -5.111 4.830 11.825 457 HB2 ALA 58 1HB ALA 58 -4.020 5.628 10.694 458 HB3 ALA 58 2HB ALA 58 -4.952 4.225 10.175 459 H GLN 59 H GLN 59 -1.510 5.335 10.635 460 HA GLN 59 HA GLN 59 -1.003 4.174 8.128 461 HB2 GLN 59 1HB GLN 59 0.455 6.253 9.728 462 HB3 GLN 59 2HB GLN 59 1.046 5.692 8.170 463 HG2 GLN 59 1HG GLN 59 -0.917 6.477 7.059 464 HG3 GLN 59 2HG GLN 59 -1.700 6.844 8.593 465 HE21 GLN 59 1HE2 GLN 59 0.885 7.786 6.420 466 HE22 GLN 59 2HE2 GLN 59 0.997 9.402 6.980 467 H GLU 60 H GLU 60 0.940 4.127 11.120 468 HA GLU 60 HA GLU 60 3.050 2.613 10.121 469 HB2 GLU 60 1HB GLU 60 3.546 1.994 12.504 470 HB3 GLU 60 2HB GLU 60 3.303 3.713 12.242 471 HG2 GLU 60 1HG GLU 60 1.053 3.542 13.106 472 HG3 GLU 60 2HG GLU 60 1.241 1.814 13.340 473 H LYS 61 H LYS 61 0.200 1.403 11.837 474 HA LYS 61 HA LYS 61 0.903 -1.335 11.739 475 HB2 LYS 61 1HB LYS 61 -0.624 -0.409 13.387 476 HB3 LYS 61 2HB LYS 61 -1.733 0.076 12.124 477 HG2 LYS 61 1HG LYS 61 -2.162 -2.272 11.604 478 HG3 LYS 61 2HG LYS 61 -1.047 -2.751 12.890 479 HD2 LYS 61 1HD LYS 61 -2.416 -1.598 14.533 480 HD3 LYS 61 2HD LYS 61 -3.514 -1.065 13.263 481 HE2 LYS 61 1HE LYS 61 -4.107 -3.374 12.791 482 HE3 LYS 61 2HE LYS 61 -2.970 -3.927 14.016 483 HZ1 LYS 61 3HZ LYS 61 -5.247 -3.865 14.855 484 HZ2 LYS 61 1HZ LYS 61 -5.333 -2.209 14.552 485 HZ3 LYS 61 2HZ LYS 61 -4.260 -2.787 15.696 486 H GLY 62 H GLY 62 -1.238 0.713 9.840 487 HA2 GLY 62 1HA GLY 62 -2.239 -1.279 8.142 488 HA3 GLY 62 2HA GLY 62 -2.192 0.482 7.844 489 H ALA 63 H ALA 63 0.522 0.925 7.854 490 HA ALA 63 HA ALA 63 1.274 0.448 5.247 491 HB1 ALA 63 3HB ALA 63 2.273 2.148 6.716 492 HB2 ALA 63 1HB ALA 63 3.104 0.865 7.588 493 HB3 ALA 63 2HB ALA 63 3.491 1.166 5.894 494 H GLU 64 H GLU 64 2.557 -1.122 8.161 495 HA GLU 64 HA GLU 64 4.065 -2.907 6.628 496 HB2 GLU 64 1HB GLU 64 4.349 -4.229 8.723 497 HB3 GLU 64 2HB GLU 64 4.865 -2.552 8.775 498 HG2 GLU 64 1HG GLU 64 2.831 -1.990 9.988 499 HG3 GLU 64 2HG GLU 64 2.328 -3.682 9.916 500 H THR 65 H THR 65 0.817 -3.195 7.751 501 HA THR 65 HA THR 65 0.533 -6.009 7.071 502 HB THR 65 HB THR 65 -1.663 -3.910 7.179 503 HG1 THR 65 1HG THR 65 -0.570 -3.700 9.150 504 HG21 THR 65 3HG2 THR 65 -2.276 -6.174 6.398 505 HG22 THR 65 1HG2 THR 65 -3.032 -5.785 7.940 506 HG23 THR 65 2HG2 THR 65 -1.629 -6.854 7.893 507 H SER 66 H SER 66 -0.104 -2.988 5.343 508 HA SER 66 HA SER 66 -0.945 -4.356 3.073 509 HG SER 66 HG SER 66 -0.266 -2.619 1.078 510 HB2 SER 66 1HB SER 66 -1.447 -1.941 3.566 511 HB3 SER 66 2HB SER 66 0.222 -1.565 3.143 512 H ILE 67 H ILE 67 2.230 -3.285 4.165 513 HA ILE 67 HA ILE 67 3.661 -3.881 1.823 514 HB ILE 67 HB ILE 67 4.560 -3.927 4.734 515 HG12 ILE 67 1HG1 ILE 67 4.959 -1.844 2.571 516 HG13 ILE 67 2HG1 ILE 67 3.828 -1.728 3.911 517 HG21 ILE 67 1HG2 ILE 67 6.065 -5.331 3.436 518 HG22 ILE 67 2HG2 ILE 67 6.874 -3.840 3.915 519 HG23 ILE 67 3HG2 ILE 67 6.296 -4.034 2.263 520 HD11 ILE 67 3HD1 ILE 67 5.698 -1.701 5.484 521 HD12 ILE 67 1HD1 ILE 67 5.806 -0.385 4.306 522 HD13 ILE 67 2HD1 ILE 67 6.832 -1.818 4.128 523 H ASP 68 H ASP 68 2.805 -5.801 4.635 524 HA ASP 68 HA ASP 68 4.222 -8.082 4.214 525 HB2 ASP 68 1HB ASP 68 2.956 -7.675 6.237 526 HB3 ASP 68 2HB ASP 68 1.446 -7.773 5.353 527 H TYR 69 H TYR 69 0.812 -7.610 3.103 528 HA TYR 69 HA TYR 69 1.069 -10.108 1.692 529 HD1 TYR 69 2HD TYR 69 -1.293 -11.566 2.611 530 HD2 TYR 69 1HD TYR 69 -1.618 -9.429 -1.057 531 HE1 TYR 69 2HE TYR 69 -2.118 -13.586 1.527 532 HE2 TYR 69 1HE TYR 69 -2.430 -11.472 -2.149 533 HH TYR 69 HH TYR 69 -3.454 -14.185 -0.416 534 HB2 TYR 69 1HB TYR 69 -1.270 -9.174 2.563 535 HB3 TYR 69 2HB TYR 69 -1.222 -8.291 1.041 536 H LEU 70 H LEU 70 1.171 -6.743 0.751 537 HA LEU 70 HA LEU 70 1.145 -7.126 -2.019 538 HG LEU 70 HG LEU 70 1.816 -5.254 -3.295 539 HB2 LEU 70 1HB LEU 70 0.984 -4.950 -0.759 540 HB3 LEU 70 2HB LEU 70 2.703 -5.067 -0.518 541 HD11 LEU 70 1HD1 LEU 70 0.313 -3.555 -2.651 542 HD12 LEU 70 2HD1 LEU 70 1.725 -2.643 -3.251 543 HD13 LEU 70 3HD1 LEU 70 1.475 -2.892 -1.531 544 HD21 LEU 70 3HD2 LEU 70 3.969 -3.653 -1.897 545 HD22 LEU 70 1HD2 LEU 70 3.761 -3.779 -3.642 546 HD23 LEU 70 2HD2 LEU 70 4.195 -5.209 -2.700 547 H ILE 71 H ILE 71 3.956 -7.122 0.175 548 HA ILE 71 HA ILE 71 5.789 -7.464 -1.934 549 HB ILE 71 HB ILE 71 6.113 -8.238 0.989 550 HG12 ILE 71 1HG1 ILE 71 5.739 -5.857 0.749 551 HG13 ILE 71 2HG1 ILE 71 7.419 -6.146 1.175 552 HG21 ILE 71 1HG2 ILE 71 8.544 -8.223 0.581 553 HG22 ILE 71 2HG2 ILE 71 8.239 -7.966 -1.135 554 HG23 ILE 71 3HG2 ILE 71 7.720 -9.462 -0.368 555 HD11 ILE 71 3HD1 ILE 71 8.039 -5.808 -1.178 556 HD12 ILE 71 1HD1 ILE 71 7.241 -4.396 -0.469 557 HD13 ILE 71 2HD1 ILE 71 6.342 -5.462 -1.551 558 H LYS 72 H LYS 72 3.985 -9.818 0.020 559 HA LYS 72 HA LYS 72 5.446 -11.876 -1.352 560 HB2 LYS 72 1HB LYS 72 4.245 -13.515 0.023 561 HB3 LYS 72 2HB LYS 72 5.036 -12.271 0.969 562 HG2 LYS 72 1HG LYS 72 2.786 -11.134 1.086 563 HG3 LYS 72 2HG LYS 72 2.109 -12.636 0.447 564 HD2 LYS 72 1HD LYS 72 3.163 -13.864 2.329 565 HD3 LYS 72 2HD LYS 72 3.735 -12.323 2.970 566 HE2 LYS 72 1HE LYS 72 1.402 -11.555 3.132 567 HE3 LYS 72 2HE LYS 72 0.860 -13.140 2.579 568 HZ1 LYS 72 3HZ LYS 72 1.998 -14.081 4.548 569 HZ2 LYS 72 1HZ LYS 72 0.733 -13.036 4.932 570 HZ3 LYS 72 2HZ LYS 72 2.304 -12.495 5.081 571 H ASN 73 H ASN 73 2.552 -10.245 -2.121 572 HA ASN 73 HA ASN 73 1.822 -12.490 -3.917 573 HB2 ASN 73 1HB ASN 73 -0.062 -11.812 -2.495 574 HB3 ASN 73 2HB ASN 73 0.072 -10.157 -3.074 575 HD21 ASN 73 1HD2 ASN 73 -2.220 -10.162 -3.955 576 HD22 ASN 73 2HD2 ASN 73 -2.492 -11.046 -5.371 577 H GLU 74 H GLU 74 1.933 -8.890 -4.002 578 HA GLU 74 HA GLU 74 2.708 -9.115 -6.763 579 HB2 GLU 74 1HB GLU 74 0.200 -7.640 -5.942 580 HB3 GLU 74 2HB GLU 74 0.990 -7.424 -7.501 581 HG2 GLU 74 1HG GLU 74 0.696 -9.818 -7.966 582 HG3 GLU 74 2HG GLU 74 -0.125 -10.002 -6.427 583 H LEU 75 H LEU 75 4.574 -8.453 -6.036 584 HA LEU 75 HA LEU 75 5.185 -6.063 -4.719 585 HG LEU 75 HG LEU 75 6.266 -9.001 -6.729 586 HB2 LEU 75 1HB LEU 75 7.524 -6.483 -5.617 587 HB3 LEU 75 2HB LEU 75 6.813 -7.715 -4.603 588 HD11 LEU 75 1HD1 LEU 75 6.418 -7.190 -8.331 589 HD12 LEU 75 2HD1 LEU 75 7.528 -8.507 -8.723 590 HD13 LEU 75 3HD1 LEU 75 8.140 -7.032 -7.977 591 HD21 LEU 75 3HD2 LEU 75 9.150 -8.440 -6.132 592 HD22 LEU 75 1HD2 LEU 75 8.533 -9.849 -6.995 593 HD23 LEU 75 2HD2 LEU 75 8.119 -9.602 -5.296 594 H GLU 76 H GLU 76 4.095 -6.421 -7.843 595 HA GLU 76 HA GLU 76 5.420 -4.502 -9.356 596 HB2 GLU 76 1HB GLU 76 2.522 -5.303 -9.386 597 HB3 GLU 76 2HB GLU 76 3.278 -4.303 -10.617 598 HG2 GLU 76 1HG GLU 76 4.057 -7.106 -9.909 599 HG3 GLU 76 2HG GLU 76 3.100 -6.630 -11.315 600 H ILE 77 H ILE 77 2.802 -4.156 -7.070 601 HA ILE 77 HA ILE 77 2.229 -1.459 -7.645 602 HB ILE 77 HB ILE 77 1.717 -3.032 -5.118 603 HG12 ILE 77 1HG1 ILE 77 0.732 -4.048 -7.095 604 HG13 ILE 77 2HG1 ILE 77 -0.528 -3.429 -6.013 605 HG21 ILE 77 1HG2 ILE 77 0.437 -0.454 -6.078 606 HG22 ILE 77 2HG2 ILE 77 1.516 -0.626 -4.692 607 HG23 ILE 77 3HG2 ILE 77 -0.077 -1.379 -4.667 608 HD11 ILE 77 3HD1 ILE 77 -0.759 -1.466 -7.500 609 HD12 ILE 77 1HD1 ILE 77 -1.092 -2.989 -8.324 610 HD13 ILE 77 2HD1 ILE 77 0.447 -2.170 -8.578 611 H TRP 78 H TRP 78 4.540 -2.998 -5.481 612 HA TRP 78 HA TRP 78 5.293 -0.700 -4.014 613 HD1 TRP 78 HD TRP 78 9.222 -1.488 -4.758 614 HE1 TRP 78 1HE TRP 78 10.620 -0.620 -2.793 615 HE3 TRP 78 3HE TRP 78 5.885 -2.278 -0.969 616 HZ2 TRP 78 2HZ TRP 78 10.349 -0.307 0.001 617 HZ3 TRP 78 3HZ TRP 78 6.549 -1.675 1.317 618 HH2 TRP 78 HH TRP 78 8.729 -0.714 1.789 619 HB2 TRP 78 1HB TRP 78 5.956 -3.002 -3.339 620 HB3 TRP 78 2HB TRP 78 6.985 -3.113 -4.761 621 H LYS 79 H LYS 79 6.414 -2.144 -7.005 622 HA LYS 79 HA LYS 79 8.556 -0.419 -7.609 623 HB2 LYS 79 1HB LYS 79 6.649 -1.801 -9.501 624 HB3 LYS 79 2HB LYS 79 8.149 -1.041 -9.986 625 HG2 LYS 79 1HG LYS 79 9.422 -2.661 -8.721 626 HG3 LYS 79 2HG LYS 79 7.930 -3.377 -8.101 627 HD2 LYS 79 1HD LYS 79 7.266 -4.000 -10.368 628 HD3 LYS 79 2HD LYS 79 8.715 -3.237 -11.015 629 HE2 LYS 79 1HE LYS 79 10.123 -4.815 -9.922 630 HE3 LYS 79 2HE LYS 79 8.762 -5.487 -9.028 631 HZ1 LYS 79 3HZ LYS 79 7.831 -6.295 -11.092 632 HZ2 LYS 79 1HZ LYS 79 9.405 -6.881 -10.904 633 HZ3 LYS 79 2HZ LYS 79 9.094 -5.625 -11.986 634 H GLU 80 H GLU 80 5.187 -0.292 -8.574 635 HA GLU 80 HA GLU 80 5.388 2.091 -10.048 636 HB2 GLU 80 1HB GLU 80 3.012 0.622 -8.949 637 HB3 GLU 80 2HB GLU 80 2.912 1.977 -10.072 638 HG2 GLU 80 1HG GLU 80 4.130 0.757 -11.751 639 HG3 GLU 80 2HG GLU 80 4.434 -0.562 -10.624 640 H LEU 81 H LEU 81 4.243 1.520 -6.711 641 HA LEU 81 HA LEU 81 3.508 4.199 -6.264 642 HG LEU 81 HG LEU 81 2.396 1.396 -5.200 643 HB2 LEU 81 1HB LEU 81 4.504 2.195 -4.218 644 HB3 LEU 81 2HB LEU 81 3.759 3.727 -3.867 645 HD11 LEU 81 1HD1 LEU 81 2.827 1.029 -2.849 646 HD12 LEU 81 2HD1 LEU 81 1.105 1.291 -3.142 647 HD13 LEU 81 3HD1 LEU 81 2.094 2.586 -2.458 648 HD21 LEU 81 3HD2 LEU 81 1.496 3.512 -6.032 649 HD22 LEU 81 1HD2 LEU 81 1.310 4.097 -4.377 650 HD23 LEU 81 2HD2 LEU 81 0.345 2.739 -4.948 651 H THR 82 H THR 82 6.567 2.504 -5.812 652 HA THR 82 HA THR 82 7.963 4.722 -4.759 653 HB THR 82 HB THR 82 9.075 2.409 -6.386 654 HG1 THR 82 1HG THR 82 8.148 1.534 -4.626 655 HG21 THR 82 3HG2 THR 82 10.627 4.318 -6.186 656 HG22 THR 82 1HG2 THR 82 11.196 2.915 -5.271 657 HG23 THR 82 2HG2 THR 82 10.437 4.274 -4.429 658 H ALA 83 H ALA 83 7.325 3.665 -8.064 659 HA ALA 83 HA ALA 83 8.967 5.512 -9.373 660 HB1 ALA 83 3HB ALA 83 7.979 3.555 -10.475 661 HB2 ALA 83 1HB ALA 83 6.386 4.308 -10.359 662 HB3 ALA 83 2HB ALA 83 7.639 5.048 -11.355 663 H HIS 84 H HIS 84 5.912 5.921 -7.835 664 HA HIS 84 HA HIS 84 5.631 8.544 -9.070 665 HD1 HIS 84 1HD HIS 84 2.536 9.316 -9.929 666 HD2 HIS 84 2HD HIS 84 3.646 5.326 -9.775 667 HE1 HIS 84 1HE HIS 84 1.725 8.305 -12.088 668 HE2 HIS 84 2HE HIS 84 2.724 5.995 -12.074 669 HB2 HIS 84 1HB HIS 84 3.722 6.943 -7.411 670 HB3 HIS 84 2HB HIS 84 3.458 8.660 -7.702 671 H PHE 85 H PHE 85 6.052 7.255 -5.810 672 HA PHE 85 HA PHE 85 6.062 9.921 -4.749 673 HD1 PHE 85 2HD PHE 85 4.370 6.624 -4.502 674 HD2 PHE 85 1HD PHE 85 4.841 9.742 -1.655 675 HE1 PHE 85 2HE PHE 85 1.974 6.502 -3.987 676 HE2 PHE 85 1HE PHE 85 2.438 9.624 -1.132 677 HZ PHE 85 HZ PHE 85 1.004 8.006 -2.296 678 HB2 PHE 85 1HB PHE 85 6.627 7.252 -3.469 679 HB3 PHE 85 2HB PHE 85 6.739 8.770 -2.594 680 H ASP 86 H ASP 86 8.593 7.427 -5.080 681 HA ASP 86 HA ASP 86 10.574 9.584 -5.138 682 HB2 ASP 86 1HB ASP 86 10.680 7.165 -3.337 683 HB3 ASP 86 2HB ASP 86 12.127 8.033 -3.805 684 HA PRO 87 HA PRO 87 11.120 6.332 -8.444 685 HB2 PRO 87 1HB PRO 87 11.321 8.002 -10.563 686 HB3 PRO 87 2HB PRO 87 9.769 7.438 -9.914 687 HG2 PRO 87 1HG PRO 87 11.181 10.031 -9.410 688 HG3 PRO 87 2HG PRO 87 9.475 9.758 -9.820 689 HD2 PRO 87 1HD PRO 87 10.265 10.183 -7.285 690 HD3 PRO 87 2HD PRO 87 8.944 9.072 -7.674 691 H ASP 88 H ASP 88 12.836 8.973 -7.254 692 HA ASP 88 HA ASP 88 15.232 8.478 -8.810 693 HB2 ASP 88 1HB ASP 88 16.199 10.351 -7.689 694 HB3 ASP 88 2HB ASP 88 14.531 10.799 -8.013 695 H GLY 89 H GLY 89 13.690 7.102 -6.247 696 HA2 GLY 89 1HA GLY 89 15.906 6.469 -4.563 697 HA3 GLY 89 2HA GLY 89 14.306 5.736 -4.517 698 H LYS 90 H LYS 90 16.469 4.174 -4.155 699 HA LYS 90 HA LYS 90 17.386 3.031 -6.622 700 HB2 LYS 90 1HB LYS 90 17.782 2.070 -3.791 701 HB3 LYS 90 2HB LYS 90 18.618 1.457 -5.207 702 HG2 LYS 90 1HG LYS 90 18.801 4.271 -4.133 703 HG3 LYS 90 2HG LYS 90 20.021 3.011 -3.946 704 HD2 LYS 90 1HD LYS 90 20.304 2.948 -6.387 705 HD3 LYS 90 2HD LYS 90 19.064 4.186 -6.546 706 HE2 LYS 90 1HE LYS 90 21.654 4.567 -5.050 707 HE3 LYS 90 2HE LYS 90 21.368 5.083 -6.708 708 HZ1 LYS 90 3HZ LYS 90 19.907 6.074 -4.299 709 HZ2 LYS 90 1HZ LYS 90 19.606 6.546 -5.881 710 HZ3 LYS 90 2HZ LYS 90 21.067 6.901 -5.166 711 H TRP 91 H TRP 91 14.552 2.597 -4.917 712 HA TRP 91 HA TRP 91 12.842 1.101 -4.932 713 HD1 TRP 91 HD TRP 91 10.524 0.136 -6.847 714 HE1 TRP 91 1HE TRP 91 9.471 1.840 -8.470 715 HE3 TRP 91 3HE TRP 91 14.796 2.245 -8.694 716 HZ2 TRP 91 2HZ TRP 91 10.331 3.802 -10.284 717 HZ3 TRP 91 3HZ TRP 91 14.588 4.022 -10.382 718 HH2 TRP 91 HH TRP 91 12.404 4.783 -11.158 719 HB2 TRP 91 1HB TRP 91 14.298 0.124 -7.369 720 HB3 TRP 91 2HB TRP 91 13.011 -0.862 -6.702 721 H ARG 92 H ARG 92 15.724 -0.794 -5.537 722 HA ARG 92 HA ARG 92 14.996 -3.145 -4.213 723 HE ARG 92 HE ARG 92 14.313 -3.959 -6.521 724 HB2 ARG 92 1HB ARG 92 17.698 -1.947 -4.737 725 HB3 ARG 92 2HB ARG 92 17.459 -3.564 -4.108 726 HG2 ARG 92 1HG ARG 92 16.345 -2.624 -6.738 727 HG3 ARG 92 2HG ARG 92 17.918 -3.398 -6.558 728 HD2 ARG 92 1HD ARG 92 16.475 -5.140 -7.172 729 HD3 ARG 92 2HD ARG 92 16.681 -5.310 -5.438 730 HH11 ARG 92 1HH1 ARG 92 15.661 -6.376 -4.338 731 HH12 ARG 92 2HH1 ARG 92 14.244 -7.293 -4.184 732 HH21 ARG 92 1HH2 ARG 92 12.302 -5.136 -6.263 733 HH22 ARG 92 2HH2 ARG 92 12.241 -6.571 -5.328 734 H LYS 93 H LYS 93 17.016 -0.486 -3.056 735 HA LYS 93 HA LYS 93 17.778 -1.372 -0.569 736 HB2 LYS 93 1HB LYS 93 18.597 0.704 -1.560 737 HB3 LYS 93 2HB LYS 93 17.013 1.434 -1.365 738 HG2 LYS 93 1HG LYS 93 17.268 1.153 1.103 739 HG3 LYS 93 2HG LYS 93 18.927 0.630 0.816 740 HD2 LYS 93 1HD LYS 93 19.404 2.781 -0.280 741 HD3 LYS 93 2HD LYS 93 17.745 3.294 0.031 742 HE2 LYS 93 1HE LYS 93 18.142 3.038 2.446 743 HE3 LYS 93 2HE LYS 93 19.813 2.595 2.113 744 HZ1 LYS 93 3HZ LYS 93 19.604 4.919 2.717 745 HZ2 LYS 93 1HZ LYS 93 18.543 5.190 1.451 746 HZ3 LYS 93 2HZ LYS 93 20.149 4.794 1.134 747 H LYS 94 H LYS 94 14.946 0.632 -1.240 748 HA LYS 94 HA LYS 94 13.954 0.533 1.404 749 HB2 LYS 94 1HB LYS 94 11.962 1.661 0.459 750 HB3 LYS 94 2HB LYS 94 13.466 2.415 -0.046 751 HG2 LYS 94 1HG LYS 94 13.203 0.902 -2.151 752 HG3 LYS 94 2HG LYS 94 11.520 0.812 -1.649 753 HD2 LYS 94 1HD LYS 94 13.054 3.353 -2.199 754 HD3 LYS 94 2HD LYS 94 11.937 2.574 -3.306 755 HE2 LYS 94 1HE LYS 94 11.214 3.659 -0.589 756 HE3 LYS 94 2HE LYS 94 10.981 4.500 -2.117 757 HZ1 LYS 94 3HZ LYS 94 8.979 3.587 -1.592 758 HZ2 LYS 94 1HZ LYS 94 9.553 2.062 -1.160 759 HZ3 LYS 94 2HZ LYS 94 9.513 2.588 -2.790 760 H TYR 95 H TYR 95 13.320 -1.402 -1.464 761 HA TYR 95 HA TYR 95 10.969 -2.714 -0.603 762 HD1 TYR 95 1HD TYR 95 12.888 -6.055 -1.869 763 HD2 TYR 95 2HD TYR 95 9.618 -3.751 -3.309 764 HE1 TYR 95 1HE TYR 95 11.649 -8.121 -2.338 765 HE2 TYR 95 2HE TYR 95 8.376 -5.810 -3.772 766 HH TYR 95 HH TYR 95 9.298 -8.840 -2.595 767 HB2 TYR 95 1HB TYR 95 11.733 -2.710 -2.950 768 HB3 TYR 95 2HB TYR 95 13.147 -3.645 -2.498 769 H GLU 96 H GLU 96 14.341 -3.707 -0.617 770 HA GLU 96 HA GLU 96 13.846 -6.158 0.673 771 HB2 GLU 96 1HB GLU 96 16.404 -4.675 0.059 772 HB3 GLU 96 2HB GLU 96 16.347 -6.316 0.699 773 HG2 GLU 96 1HG GLU 96 15.181 -7.103 -1.263 774 HG3 GLU 96 2HG GLU 96 15.029 -5.462 -1.874 775 H ASP 97 H ASP 97 14.687 -2.982 1.822 776 HA ASP 97 HA ASP 97 15.483 -3.853 4.431 777 HB2 ASP 97 1HB ASP 97 16.187 -1.644 3.630 778 HB3 ASP 97 2HB ASP 97 14.507 -1.130 3.574 779 H ARG 98 H ARG 98 12.495 -2.335 3.232 780 HA ARG 98 HA ARG 98 11.264 -2.469 5.760 781 HE ARG 98 HE ARG 98 12.385 -0.475 5.937 782 HB2 ARG 98 1HB ARG 98 10.034 -2.102 3.034 783 HB3 ARG 98 2HB ARG 98 9.118 -2.035 4.525 784 HG2 ARG 98 1HG ARG 98 11.383 -0.167 3.800 785 HG3 ARG 98 2HG ARG 98 9.670 0.203 3.634 786 HD2 ARG 98 1HD ARG 98 10.341 1.243 5.649 787 HD3 ARG 98 2HD ARG 98 9.498 -0.217 6.153 788 HH11 ARG 98 1HH1 ARG 98 9.713 0.358 8.205 789 HH12 ARG 98 2HH1 ARG 98 10.669 0.018 9.557 790 HH21 ARG 98 1HH2 ARG 98 13.598 -0.832 7.779 791 HH22 ARG 98 2HH2 ARG 98 12.939 -0.640 9.355 792 H ALA 99 H ALA 99 11.079 -4.648 2.956 793 HA ALA 99 HA ALA 99 9.120 -6.326 4.034 794 HB1 ALA 99 3HB ALA 99 9.836 -6.396 1.678 795 HB2 ALA 99 1HB ALA 99 11.392 -7.055 2.179 796 HB3 ALA 99 2HB ALA 99 9.920 -7.992 2.425 797 H LYS 100 H LYS 100 12.672 -6.442 4.312 798 HA LYS 100 HA LYS 100 12.763 -8.831 5.769 799 HB2 LYS 100 1HB LYS 100 14.709 -7.753 4.602 800 HB3 LYS 100 2HB LYS 100 14.732 -6.536 5.862 801 HG2 LYS 100 1HG LYS 100 16.441 -8.165 6.296 802 HG3 LYS 100 2HG LYS 100 15.174 -8.294 7.520 803 HD2 LYS 100 1HD LYS 100 14.191 -10.167 6.265 804 HD3 LYS 100 2HD LYS 100 15.518 -10.075 5.111 805 HE2 LYS 100 1HE LYS 100 17.117 -10.535 6.913 806 HE3 LYS 100 2HE LYS 100 15.783 -10.629 8.061 807 HZ1 LYS 100 3HZ LYS 100 16.140 -12.440 5.729 808 HZ2 LYS 100 1HZ LYS 100 14.927 -12.544 6.879 809 HZ3 LYS 100 2HZ LYS 100 16.522 -12.829 7.305 810 H ALA 101 H ALA 101 12.557 -5.460 6.753 811 HA ALA 101 HA ALA 101 12.854 -5.882 9.537 812 HB1 ALA 101 3HB ALA 101 11.477 -3.594 8.140 813 HB2 ALA 101 1HB ALA 101 12.062 -3.604 9.802 814 HB3 ALA 101 2HB ALA 101 13.205 -3.698 8.463 815 H LYS 102 H LYS 102 9.971 -5.567 7.480 816 HA LYS 102 HA LYS 102 8.098 -5.748 9.559 817 HB2 LYS 102 1HB LYS 102 8.006 -5.987 6.596 818 HB3 LYS 102 2HB LYS 102 6.624 -6.534 7.521 819 HG2 LYS 102 1HG LYS 102 6.261 -4.242 6.740 820 HG3 LYS 102 2HG LYS 102 6.391 -4.374 8.491 821 HD2 LYS 102 1HD LYS 102 8.894 -3.679 7.120 822 HD3 LYS 102 2HD LYS 102 7.623 -2.465 7.017 823 HE2 LYS 102 1HE LYS 102 8.574 -3.693 9.613 824 HE3 LYS 102 2HE LYS 102 9.217 -2.198 8.947 825 HZ1 LYS 102 3HZ LYS 102 6.422 -2.637 9.974 826 HZ2 LYS 102 1HZ LYS 102 6.901 -1.328 8.986 827 HZ3 LYS 102 2HZ LYS 102 7.613 -1.565 10.469 828 H GLY 103 H GLY 103 9.891 -8.180 7.905 829 HA2 GLY 103 1HA GLY 103 10.101 -10.311 9.064 830 HA3 GLY 103 2HA GLY 103 8.405 -10.171 9.502 831 H ILE 104 H ILE 104 9.567 -9.432 6.308 832 HA ILE 104 HA ILE 104 8.030 -11.663 5.274 833 HB ILE 104 HB ILE 104 9.279 -9.249 3.938 834 HG12 ILE 104 1HG1 ILE 104 7.321 -8.707 5.244 835 HG13 ILE 104 2HG1 ILE 104 6.944 -8.559 3.531 836 HG21 ILE 104 1HG2 ILE 104 8.183 -9.909 1.875 837 HG22 ILE 104 2HG2 ILE 104 7.600 -11.390 2.637 838 HG23 ILE 104 3HG2 ILE 104 9.334 -11.145 2.395 839 HD11 ILE 104 3HD1 ILE 104 5.793 -10.701 3.587 840 HD12 ILE 104 1HD1 ILE 104 5.119 -9.620 4.801 841 HD13 ILE 104 2HD1 ILE 104 6.207 -10.897 5.290 842 H VAL 105 H VAL 105 8.944 -13.350 4.275 843 HA VAL 105 HA VAL 105 11.795 -13.520 4.576 844 HB VAL 105 HB VAL 105 11.509 -15.969 3.981 845 HG11 VAL 105 1HG1 VAL 105 9.919 -14.922 6.322 846 HG12 VAL 105 2HG1 VAL 105 10.516 -16.570 6.147 847 HG13 VAL 105 3HG1 VAL 105 11.652 -15.231 6.297 848 HG21 VAL 105 3HG2 VAL 105 9.395 -15.806 2.737 849 HG22 VAL 105 1HG2 VAL 105 8.561 -15.303 4.207 850 HG23 VAL 105 2HG2 VAL 105 9.243 -16.928 4.090 851 H ILE 106 H ILE 106 12.812 -12.538 3.072 852 HA ILE 106 HA ILE 106 12.375 -13.402 0.316 853 HB ILE 106 HB ILE 106 13.478 -11.329 -0.489 854 HG12 ILE 106 1HG1 ILE 106 14.791 -10.812 1.642 855 HG13 ILE 106 2HG1 ILE 106 14.051 -9.426 0.861 856 HG21 ILE 106 1HG2 ILE 106 11.102 -11.338 -0.481 857 HG22 ILE 106 2HG2 ILE 106 11.684 -9.718 -0.093 858 HG23 ILE 106 3HG2 ILE 106 11.066 -10.760 1.185 859 HD11 ILE 106 3HD1 ILE 106 13.054 -10.838 3.335 860 HD12 ILE 106 1HD1 ILE 106 12.258 -9.479 2.537 861 HD13 ILE 106 2HD1 ILE 106 13.852 -9.269 3.255 862 HA PRO 107 HA PRO 107 16.318 -15.276 0.519 863 HB2 PRO 107 1HB PRO 107 17.399 -13.766 -1.792 864 HB3 PRO 107 2HB PRO 107 17.194 -15.510 -1.600 865 HG2 PRO 107 1HG PRO 107 15.592 -14.107 -3.216 866 HG3 PRO 107 2HG PRO 107 14.963 -15.449 -2.243 867 HD2 PRO 107 1HD PRO 107 14.755 -12.500 -1.770 868 HD3 PRO 107 2HD PRO 107 13.522 -13.757 -1.547 869 H GLU 108 H GLU 108 17.328 -14.551 2.344 870 HA GLU 108 HA GLU 108 19.436 -12.685 2.126 871 HB2 GLU 108 1HB GLU 108 17.505 -11.233 2.590 872 HB3 GLU 108 2HB GLU 108 17.012 -12.282 3.906 873 HG2 GLU 108 1HG GLU 108 18.037 -10.453 4.911 874 HG3 GLU 108 2HG GLU 108 19.175 -11.813 4.937 Start of MODEL 9 1 HA TYR 1 HA TYR 1 -19.532 0.501 1.224 2 HD1 TYR 1 1HD TYR 1 -21.431 2.459 0.847 3 HD2 TYR 1 2HD TYR 1 -21.687 -0.656 -2.023 4 HE1 TYR 1 1HE TYR 1 -21.533 4.136 -0.945 5 HE2 TYR 1 2HE TYR 1 -21.794 1.013 -3.836 6 HH TYR 1 HH TYR 1 -22.411 3.376 -4.129 7 H1 TYR 1 1HT TYR 1 -19.202 -0.713 -0.806 8 H2 TYR 1 2HT TYR 1 -19.534 -2.149 0.025 9 H3 TYR 1 3HT TYR 1 -18.224 -1.195 0.503 10 HB2 TYR 1 1HB TYR 1 -21.859 -1.180 0.292 11 HB3 TYR 1 2HB TYR 1 -22.038 0.108 1.485 12 H THR 2 H THR 2 -19.829 -2.991 1.737 13 HA THR 2 HA THR 2 -18.994 -2.274 4.374 14 HB THR 2 HB THR 2 -21.287 -2.986 4.739 15 HG1 THR 2 1HG THR 2 -19.300 -4.838 5.589 16 HG21 THR 2 3HG2 THR 2 -22.117 -5.239 4.113 17 HG22 THR 2 1HG2 THR 2 -20.610 -5.538 3.247 18 HG23 THR 2 2HG2 THR 2 -21.710 -4.272 2.695 19 H ASP 3 H ASP 3 -16.971 -2.650 4.224 20 HA ASP 3 HA ASP 3 -14.996 -3.828 4.288 21 HB2 ASP 3 1HB ASP 3 -16.711 -6.298 3.854 22 HB3 ASP 3 2HB ASP 3 -15.026 -6.280 4.347 23 H LYS 4 H LYS 4 -16.180 -2.736 1.867 24 HA LYS 4 HA LYS 4 -14.742 -4.262 -0.138 25 HB2 LYS 4 1HB LYS 4 -17.723 -3.859 -0.355 26 HB3 LYS 4 2HB LYS 4 -16.700 -4.278 -1.718 27 HG2 LYS 4 1HG LYS 4 -17.003 -5.930 0.771 28 HG3 LYS 4 2HG LYS 4 -17.892 -6.204 -0.729 29 HD2 LYS 4 1HD LYS 4 -15.809 -6.640 -1.905 30 HD3 LYS 4 2HD LYS 4 -14.881 -6.250 -0.457 31 HE2 LYS 4 1HE LYS 4 -15.108 -8.672 -0.800 32 HE3 LYS 4 2HE LYS 4 -15.833 -8.127 0.709 33 HZ1 LYS 4 3HZ LYS 4 -17.176 -9.735 -0.540 34 HZ2 LYS 4 1HZ LYS 4 -17.368 -8.625 -1.779 35 HZ3 LYS 4 2HZ LYS 4 -17.999 -8.314 -0.235 36 H TYR 5 H TYR 5 -13.508 -2.650 -0.389 37 HA TYR 5 HA TYR 5 -12.555 -1.015 -1.285 38 HD1 TYR 5 2HD TYR 5 -15.835 1.167 -3.158 39 HD2 TYR 5 1HD TYR 5 -15.019 -2.926 -3.968 40 HE1 TYR 5 2HE TYR 5 -18.134 0.871 -3.963 41 HE2 TYR 5 1HE TYR 5 -17.311 -3.227 -4.777 42 HH TYR 5 HH TYR 5 -19.366 -0.606 -5.434 43 HB2 TYR 5 1HB TYR 5 -13.588 0.373 -3.222 44 HB3 TYR 5 2HB TYR 5 -13.149 -1.255 -3.574 45 H ASP 6 H ASP 6 -15.519 -0.166 -0.082 46 HA ASP 6 HA ASP 6 -15.776 2.511 -0.207 47 HB2 ASP 6 1HB ASP 6 -17.015 2.213 2.017 48 HB3 ASP 6 2HB ASP 6 -17.566 1.272 0.640 49 H LYS 7 H LYS 7 -14.296 0.787 2.409 50 HA LYS 7 HA LYS 7 -12.675 2.952 3.114 51 HB2 LYS 7 1HB LYS 7 -14.559 4.124 3.882 52 HB3 LYS 7 2HB LYS 7 -15.295 2.667 4.534 53 HG2 LYS 7 1HG LYS 7 -13.463 2.649 6.273 54 HG3 LYS 7 2HG LYS 7 -13.011 4.254 5.702 55 HD2 LYS 7 1HD LYS 7 -15.081 5.173 6.369 56 HD3 LYS 7 2HD LYS 7 -15.804 3.581 6.591 57 HE2 LYS 7 1HE LYS 7 -15.264 4.625 8.739 58 HE3 LYS 7 2HE LYS 7 -14.333 3.153 8.489 59 HZ1 LYS 7 3HZ LYS 7 -12.413 4.509 7.910 60 HZ2 LYS 7 1HZ LYS 7 -13.015 4.973 9.407 61 HZ3 LYS 7 2HZ LYS 7 -13.359 5.915 8.061 62 H ILE 8 H ILE 8 -14.630 0.421 4.646 63 HA ILE 8 HA ILE 8 -12.632 -0.004 6.658 64 HB ILE 8 HB ILE 8 -14.251 -1.700 7.577 65 HG12 ILE 8 1HG1 ILE 8 -16.051 -0.579 5.412 66 HG13 ILE 8 2HG1 ILE 8 -15.412 -2.214 5.458 67 HG21 ILE 8 1HG2 ILE 8 -14.140 0.566 8.430 68 HG22 ILE 8 2HG2 ILE 8 -15.816 0.017 8.396 69 HG23 ILE 8 3HG2 ILE 8 -15.226 1.122 7.155 70 HD11 ILE 8 3HD1 ILE 8 -16.685 -2.619 7.524 71 HD12 ILE 8 1HD1 ILE 8 -17.724 -2.158 6.175 72 HD13 ILE 8 2HD1 ILE 8 -17.327 -0.979 7.424 73 H ASN 9 H ASN 9 -11.612 -0.637 4.282 74 HA ASN 9 HA ASN 9 -10.689 -3.220 4.975 75 HB2 ASN 9 1HB ASN 9 -10.808 -4.229 2.772 76 HB3 ASN 9 2HB ASN 9 -12.427 -3.889 3.366 77 HD21 ASN 9 1HD2 ASN 9 -10.523 -1.315 1.851 78 HD22 ASN 9 2HD2 ASN 9 -11.322 -1.558 0.342 79 H LEU 10 H LEU 10 -8.543 -3.464 4.584 80 HA LEU 10 HA LEU 10 -7.240 -1.665 2.714 81 HG LEU 10 HG LEU 10 -5.771 -0.010 5.825 82 HB2 LEU 10 1HB LEU 10 -6.084 -2.481 5.432 83 HB3 LEU 10 2HB LEU 10 -5.254 -1.613 4.185 84 HD11 LEU 10 1HD1 LEU 10 -7.731 0.350 3.644 85 HD12 LEU 10 2HD1 LEU 10 -6.014 0.757 3.615 86 HD13 LEU 10 3HD1 LEU 10 -7.104 1.595 4.723 87 HD21 LEU 10 3HD2 LEU 10 -7.505 -1.170 7.078 88 HD22 LEU 10 1HD2 LEU 10 -8.642 -0.927 5.740 89 HD23 LEU 10 2HD2 LEU 10 -8.025 0.467 6.652 90 H GLN 11 H GLN 11 -6.686 -4.376 4.828 91 HA GLN 11 HA GLN 11 -4.815 -5.637 3.151 92 HB2 GLN 11 1HB GLN 11 -4.750 -5.816 5.575 93 HB3 GLN 11 2HB GLN 11 -6.303 -6.631 5.569 94 HG2 GLN 11 1HG GLN 11 -4.462 -8.188 5.878 95 HG3 GLN 11 2HG GLN 11 -5.352 -8.516 4.390 96 HE21 GLN 11 1HE2 GLN 11 -3.069 -5.924 4.775 97 HE22 GLN 11 2HE2 GLN 11 -1.838 -6.531 3.770 98 H GLU 12 H GLU 12 -8.351 -5.871 3.378 99 HA GLU 12 HA GLU 12 -8.132 -8.499 2.283 100 HB2 GLU 12 1HB GLU 12 -10.771 -8.397 2.340 101 HB3 GLU 12 2HB GLU 12 -9.845 -8.693 3.791 102 HG2 GLU 12 1HG GLU 12 -10.998 -6.044 2.980 103 HG3 GLU 12 2HG GLU 12 -11.755 -7.172 4.084 104 H ILE 13 H ILE 13 -8.162 -5.541 1.184 105 HA ILE 13 HA ILE 13 -9.140 -6.126 -1.459 106 HB ILE 13 HB ILE 13 -7.569 -3.852 -0.262 107 HG12 ILE 13 1HG1 ILE 13 -9.875 -3.716 0.336 108 HG13 ILE 13 2HG1 ILE 13 -9.550 -2.556 -0.956 109 HG21 ILE 13 1HG2 ILE 13 -7.682 -2.699 -2.360 110 HG22 ILE 13 2HG2 ILE 13 -8.514 -4.077 -3.068 111 HG23 ILE 13 3HG2 ILE 13 -6.823 -4.243 -2.534 112 HD11 ILE 13 3HD1 ILE 13 -11.623 -3.549 -1.437 113 HD12 ILE 13 1HD1 ILE 13 -10.934 -5.174 -1.216 114 HD13 ILE 13 2HD1 ILE 13 -10.389 -4.170 -2.555 115 H LEU 14 H LEU 14 -6.060 -5.441 0.104 116 HA LEU 14 HA LEU 14 -4.330 -5.871 -1.971 117 HG LEU 14 HG LEU 14 -2.004 -7.154 -0.361 118 HB2 LEU 14 1HB LEU 14 -3.816 -4.808 0.147 119 HB3 LEU 14 2HB LEU 14 -3.925 -6.358 0.950 120 HD11 LEU 14 1HD1 LEU 14 -2.304 -5.713 -2.320 121 HD12 LEU 14 2HD1 LEU 14 -0.690 -5.573 -1.647 122 HD13 LEU 14 3HD1 LEU 14 -1.882 -4.306 -1.340 123 HD21 LEU 14 3HD2 LEU 14 -1.691 -6.218 1.858 124 HD22 LEU 14 1HD2 LEU 14 -1.593 -4.600 1.182 125 HD23 LEU 14 2HD2 LEU 14 -0.346 -5.790 0.830 126 H GLU 15 H GLU 15 -5.747 -8.190 0.199 127 HA GLU 15 HA GLU 15 -4.015 -10.299 -0.501 128 HB2 GLU 15 1HB GLU 15 -5.210 -10.133 1.650 129 HB3 GLU 15 2HB GLU 15 -6.728 -10.436 0.817 130 HG2 GLU 15 1HG GLU 15 -5.971 -12.654 0.211 131 HG3 GLU 15 2HG GLU 15 -4.395 -12.336 0.929 132 H ASN 16 H ASN 16 -6.766 -8.986 -2.123 133 HA ASN 16 HA ASN 16 -6.942 -11.446 -3.736 134 HB2 ASN 16 1HB ASN 16 -9.280 -9.675 -2.980 135 HB3 ASN 16 2HB ASN 16 -9.363 -11.107 -3.986 136 HD21 ASN 16 1HD2 ASN 16 -9.251 -9.838 -0.800 137 HD22 ASN 16 2HD2 ASN 16 -9.423 -11.336 0.028 138 H LYS 17 H LYS 17 -6.384 -10.974 -5.811 139 HA LYS 17 HA LYS 17 -5.881 -8.389 -6.644 140 HB2 LYS 17 1HB LYS 17 -5.597 -9.176 -8.965 141 HB3 LYS 17 2HB LYS 17 -4.738 -10.165 -7.815 142 HG2 LYS 17 1HG LYS 17 -7.410 -10.944 -8.948 143 HG3 LYS 17 2HG LYS 17 -5.898 -11.326 -9.762 144 HD2 LYS 17 1HD LYS 17 -5.174 -12.573 -7.745 145 HD3 LYS 17 2HD LYS 17 -6.730 -12.210 -7.003 146 HE2 LYS 17 1HE LYS 17 -7.882 -13.455 -8.744 147 HE3 LYS 17 2HE LYS 17 -6.354 -13.753 -9.570 148 HZ1 LYS 17 3HZ LYS 17 -7.098 -14.791 -6.870 149 HZ2 LYS 17 1HZ LYS 17 -5.627 -15.056 -7.633 150 HZ3 LYS 17 2HZ LYS 17 -7.028 -15.674 -8.290 151 H ARG 18 H ARG 18 -8.906 -10.147 -7.164 152 HA ARG 18 HA ARG 18 -9.986 -8.178 -8.909 153 HE ARG 18 HE ARG 18 -12.403 -12.179 -5.062 154 HB2 ARG 18 1HB ARG 18 -12.202 -9.150 -8.449 155 HB3 ARG 18 2HB ARG 18 -11.021 -10.418 -8.728 156 HG2 ARG 18 1HG ARG 18 -10.876 -10.792 -6.295 157 HG3 ARG 18 2HG ARG 18 -12.058 -9.519 -6.051 158 HD2 ARG 18 1HD ARG 18 -13.734 -10.768 -7.253 159 HD3 ARG 18 2HD ARG 18 -12.560 -12.029 -7.638 160 HH11 ARG 18 1HH1 ARG 18 -15.436 -11.556 -6.834 161 HH12 ARG 18 2HH1 ARG 18 -16.391 -12.357 -5.681 162 HH21 ARG 18 1HH2 ARG 18 -13.753 -13.312 -3.548 163 HH22 ARG 18 2HH2 ARG 18 -15.427 -13.394 -3.798 164 H LEU 19 H LEU 19 -9.888 -8.464 -5.436 165 HA LEU 19 HA LEU 19 -11.639 -6.250 -5.049 166 HG LEU 19 HG LEU 19 -11.680 -9.192 -3.802 167 HB2 LEU 19 1HB LEU 19 -9.877 -7.704 -3.077 168 HB3 LEU 19 2HB LEU 19 -11.045 -6.465 -2.670 169 HD11 LEU 19 1HD1 LEU 19 -11.076 -9.246 -1.458 170 HD12 LEU 19 2HD1 LEU 19 -12.799 -9.555 -1.668 171 HD13 LEU 19 3HD1 LEU 19 -12.248 -7.975 -1.112 172 HD21 LEU 19 3HD2 LEU 19 -13.245 -7.569 -4.709 173 HD22 LEU 19 1HD2 LEU 19 -13.538 -6.916 -3.092 174 HD23 LEU 19 2HD2 LEU 19 -14.039 -8.556 -3.486 175 H LEU 20 H LEU 20 -8.314 -6.770 -5.539 176 HA LEU 20 HA LEU 20 -7.278 -4.380 -4.456 177 HG LEU 20 HG LEU 20 -4.945 -3.901 -6.372 178 HB2 LEU 20 1HB LEU 20 -6.003 -6.448 -5.149 179 HB3 LEU 20 2HB LEU 20 -6.241 -5.937 -6.807 180 HD11 LEU 20 1HD1 LEU 20 -4.570 -5.154 -3.682 181 HD12 LEU 20 2HD1 LEU 20 -5.493 -3.681 -3.975 182 HD13 LEU 20 3HD1 LEU 20 -3.735 -3.702 -4.228 183 HD21 LEU 20 3HD2 LEU 20 -2.786 -5.011 -6.064 184 HD22 LEU 20 1HD2 LEU 20 -3.833 -5.897 -7.184 185 HD23 LEU 20 2HD2 LEU 20 -3.640 -6.455 -5.518 186 H GLU 21 H GLU 21 -8.354 -5.359 -7.598 187 HA GLU 21 HA GLU 21 -8.113 -2.996 -9.017 188 HB2 GLU 21 1HB GLU 21 -10.192 -5.168 -9.166 189 HB3 GLU 21 2HB GLU 21 -9.928 -3.964 -10.409 190 HG2 GLU 21 1HG GLU 21 -7.837 -5.918 -9.486 191 HG3 GLU 21 2HG GLU 21 -8.901 -6.210 -10.855 192 H SER 22 H SER 22 -10.548 -4.082 -6.705 193 HA SER 22 HA SER 22 -12.469 -2.118 -7.257 194 HG SER 22 HG SER 22 -12.757 -4.386 -7.165 195 HB2 SER 22 1HB SER 22 -12.041 -3.639 -4.691 196 HB3 SER 22 2HB SER 22 -13.515 -2.805 -5.201 197 H TYR 23 H TYR 23 -10.142 -2.114 -4.376 198 HA TYR 23 HA TYR 23 -10.926 0.671 -4.264 199 HD1 TYR 23 1HD TYR 23 -7.481 -0.625 -3.167 200 HD2 TYR 23 2HD TYR 23 -9.885 0.037 0.250 201 HE1 TYR 23 1HE TYR 23 -5.507 -0.932 -1.698 202 HE2 TYR 23 2HE TYR 23 -7.984 -0.241 1.688 203 HH TYR 23 HH TYR 23 -4.874 -0.168 0.686 204 HB2 TYR 23 1HB TYR 23 -10.389 0.977 -2.076 205 HB3 TYR 23 2HB TYR 23 -10.911 -0.638 -1.916 206 H MET 24 H MET 24 -8.926 -0.668 -6.024 207 HA MET 24 HA MET 24 -6.592 0.783 -5.926 208 HB2 MET 24 1HB MET 24 -7.250 -1.075 -7.564 209 HB3 MET 24 2HB MET 24 -8.037 0.180 -8.510 210 HG2 MET 24 1HG MET 24 -5.800 -0.364 -9.354 211 HG3 MET 24 2HG MET 24 -5.916 1.314 -8.820 212 HE1 MET 24 3HE MET 24 -2.194 0.141 -8.034 213 HE2 MET 24 1HE MET 24 -3.204 -0.449 -9.354 214 HE3 MET 24 2HE MET 24 -3.180 1.268 -8.967 215 H ASP 25 H ASP 25 -9.770 1.874 -6.500 216 HA ASP 25 HA ASP 25 -9.400 4.390 -7.720 217 HB2 ASP 25 1HB ASP 25 -11.599 3.688 -7.331 218 HB3 ASP 25 2HB ASP 25 -11.316 3.526 -5.601 219 H CYS 26 H CYS 26 -9.306 3.598 -4.266 220 HA CYS 26 HA CYS 26 -8.592 6.273 -3.823 221 HB2 CYS 26 1HB CYS 26 -8.221 5.269 -1.378 222 HB3 CYS 26 2HB CYS 26 -9.809 5.671 -2.020 223 H VAL 27 H VAL 27 -6.803 3.372 -4.287 224 HA VAL 27 HA VAL 27 -4.386 4.661 -3.402 225 HB VAL 27 HB VAL 27 -4.700 2.148 -5.073 226 HG11 VAL 27 1HG1 VAL 27 -2.287 3.195 -3.588 227 HG12 VAL 27 2HG1 VAL 27 -2.395 1.636 -4.406 228 HG13 VAL 27 3HG1 VAL 27 -2.479 3.132 -5.338 229 HG21 VAL 27 3HG2 VAL 27 -4.271 0.956 -2.970 230 HG22 VAL 27 1HG2 VAL 27 -5.739 1.929 -2.884 231 HG23 VAL 27 2HG2 VAL 27 -4.261 2.496 -2.109 232 H LEU 28 H LEU 28 -5.555 3.728 -6.738 233 HA LEU 28 HA LEU 28 -3.614 5.663 -7.797 234 HG LEU 28 HG LEU 28 -4.045 5.255 -10.711 235 HB2 LEU 28 1HB LEU 28 -3.454 3.291 -8.507 236 HB3 LEU 28 2HB LEU 28 -5.027 3.447 -9.260 237 HD11 LEU 28 1HD1 LEU 28 -1.460 4.231 -9.540 238 HD12 LEU 28 2HD1 LEU 28 -2.134 5.845 -9.333 239 HD13 LEU 28 3HD1 LEU 28 -1.600 5.310 -10.930 240 HD21 LEU 28 3HD2 LEU 28 -2.801 2.518 -10.894 241 HD22 LEU 28 1HD2 LEU 28 -2.946 3.687 -12.210 242 HD23 LEU 28 2HD2 LEU 28 -4.399 2.972 -11.504 243 H GLY 29 H GLY 29 -6.993 4.792 -7.832 244 HA2 GLY 29 1HA GLY 29 -8.604 6.678 -8.097 245 HA3 GLY 29 2HA GLY 29 -7.598 7.222 -9.425 246 H LYS 30 H LYS 30 -8.434 3.832 -8.980 247 HA LYS 30 HA LYS 30 -9.610 3.893 -11.610 248 HB2 LYS 30 1HB LYS 30 -8.963 1.545 -9.860 249 HB3 LYS 30 2HB LYS 30 -9.591 1.437 -11.501 250 HG2 LYS 30 1HG LYS 30 -7.576 2.749 -12.237 251 HG3 LYS 30 2HG LYS 30 -6.947 2.527 -10.599 252 HD2 LYS 30 1HD LYS 30 -6.000 0.823 -12.034 253 HD3 LYS 30 2HD LYS 30 -7.140 0.072 -10.919 254 HE2 LYS 30 1HE LYS 30 -7.386 -0.860 -13.143 255 HE3 LYS 30 2HE LYS 30 -8.843 0.005 -12.698 256 HZ1 LYS 30 3HZ LYS 30 -8.154 0.464 -14.989 257 HZ2 LYS 30 1HZ LYS 30 -6.680 1.040 -14.453 258 HZ3 LYS 30 2HZ LYS 30 -8.077 1.887 -14.096 259 H GLY 31 H GLY 31 -10.791 2.173 -8.672 260 HA2 GLY 31 1HA GLY 31 -13.456 1.978 -9.843 261 HA3 GLY 31 2HA GLY 31 -12.944 1.302 -8.305 262 H LYS 32 H LYS 32 -14.012 2.165 -6.574 263 HA LYS 32 HA LYS 32 -14.022 4.959 -6.210 264 HB2 LYS 32 1HB LYS 32 -16.454 5.306 -5.961 265 HB3 LYS 32 2HB LYS 32 -15.948 5.003 -7.610 266 HG2 LYS 32 1HG LYS 32 -16.771 2.722 -7.480 267 HG3 LYS 32 2HG LYS 32 -17.213 2.962 -5.789 268 HD2 LYS 32 1HD LYS 32 -18.267 4.580 -8.069 269 HD3 LYS 32 2HD LYS 32 -19.106 3.165 -7.407 270 HE2 LYS 32 1HE LYS 32 -19.264 4.303 -5.233 271 HE3 LYS 32 2HE LYS 32 -18.400 5.696 -5.885 272 HZ1 LYS 32 3HZ LYS 32 -21.048 4.728 -6.828 273 HZ2 LYS 32 1HZ LYS 32 -20.207 6.051 -7.421 274 HZ3 LYS 32 2HZ LYS 32 -20.793 6.075 -5.859 275 H CYS 33 H CYS 33 -13.106 4.790 -4.348 276 HA CYS 33 HA CYS 33 -14.413 3.401 -2.095 277 HB2 CYS 33 1HB CYS 33 -11.969 5.183 -1.848 278 HB3 CYS 33 2HB CYS 33 -12.422 3.776 -0.881 279 H THR 34 H THR 34 -14.507 5.025 0.030 280 HA THR 34 HA THR 34 -15.940 7.350 -0.857 281 HB THR 34 HB THR 34 -16.376 7.625 1.607 282 HG1 THR 34 1HG THR 34 -15.696 5.991 2.984 283 HG21 THR 34 3HG2 THR 34 -17.774 5.623 1.868 284 HG22 THR 34 1HG2 THR 34 -16.919 4.850 0.532 285 HG23 THR 34 2HG2 THR 34 -17.904 6.282 0.237 286 HA PRO 35 HA PRO 35 -12.775 10.497 -0.376 287 HB2 PRO 35 1HB PRO 35 -13.921 12.110 1.626 288 HB3 PRO 35 2HB PRO 35 -14.113 12.315 -0.112 289 HG2 PRO 35 1HG PRO 35 -15.911 11.006 1.848 290 HG3 PRO 35 2HG PRO 35 -16.312 11.919 0.390 291 HD2 PRO 35 1HD PRO 35 -16.531 9.262 0.451 292 HD3 PRO 35 2HD PRO 35 -15.947 10.094 -1.002 293 H GLU 36 H GLU 36 -14.095 9.449 2.776 294 HA GLU 36 HA GLU 36 -11.765 10.115 4.228 295 HB2 GLU 36 1HB GLU 36 -13.957 9.736 5.297 296 HB3 GLU 36 2HB GLU 36 -13.880 8.042 4.844 297 HG2 GLU 36 1HG GLU 36 -11.966 7.713 6.289 298 HG3 GLU 36 2HG GLU 36 -11.970 9.428 6.708 299 H GLY 37 H GLY 37 -12.861 7.239 2.570 300 HA2 GLY 37 1HA GLY 37 -10.744 5.514 3.252 301 HA3 GLY 37 2HA GLY 37 -11.750 5.380 1.812 302 H LYS 38 H LYS 38 -11.206 7.809 0.631 303 HA LYS 38 HA LYS 38 -8.929 7.466 -0.913 304 HB2 LYS 38 1HB LYS 38 -10.504 9.928 -0.203 305 HB3 LYS 38 2HB LYS 38 -9.077 10.044 -1.208 306 HG2 LYS 38 1HG LYS 38 -11.329 8.202 -1.929 307 HG3 LYS 38 2HG LYS 38 -11.380 9.921 -2.332 308 HD2 LYS 38 1HD LYS 38 -9.253 9.695 -3.537 309 HD3 LYS 38 2HD LYS 38 -9.217 7.979 -3.143 310 HE2 LYS 38 1HE LYS 38 -11.248 7.611 -4.412 311 HE3 LYS 38 2HE LYS 38 -11.394 9.339 -4.732 312 HZ1 LYS 38 3HZ LYS 38 -9.055 7.746 -5.625 313 HZ2 LYS 38 1HZ LYS 38 -9.527 9.262 -6.168 314 HZ3 LYS 38 2HZ LYS 38 -10.434 7.865 -6.551 315 H GLU 39 H GLU 39 -9.259 9.205 2.138 316 HA GLU 39 HA GLU 39 -6.672 10.470 1.925 317 HB2 GLU 39 1HB GLU 39 -8.718 11.430 3.079 318 HB3 GLU 39 2HB GLU 39 -8.488 10.143 4.263 319 HG2 GLU 39 1HG GLU 39 -7.594 12.182 5.150 320 HG3 GLU 39 2HG GLU 39 -6.292 11.042 4.791 321 H LEU 40 H LEU 40 -8.258 8.093 3.960 322 HA LEU 40 HA LEU 40 -6.268 7.254 5.645 323 HG LEU 40 HG LEU 40 -7.066 4.283 4.839 324 HB2 LEU 40 1HB LEU 40 -8.435 6.546 6.077 325 HB3 LEU 40 2HB LEU 40 -8.692 6.006 4.433 326 HD11 LEU 40 1HD1 LEU 40 -6.703 3.511 7.217 327 HD12 LEU 40 2HD1 LEU 40 -7.461 5.008 7.760 328 HD13 LEU 40 3HD1 LEU 40 -5.949 5.063 6.850 329 HD21 LEU 40 3HD2 LEU 40 -8.664 2.743 5.991 330 HD22 LEU 40 1HD2 LEU 40 -9.361 3.718 4.708 331 HD23 LEU 40 2HD2 LEU 40 -9.648 4.154 6.392 332 H LYS 41 H LYS 41 -7.191 5.797 2.553 333 HA LYS 41 HA LYS 41 -5.193 3.772 2.747 334 HB2 LYS 41 1HB LYS 41 -7.085 4.520 0.554 335 HB3 LYS 41 2HB LYS 41 -6.070 3.072 0.575 336 HG2 LYS 41 1HG LYS 41 -7.209 2.088 2.218 337 HG3 LYS 41 2HG LYS 41 -7.791 3.579 2.937 338 HD2 LYS 41 1HD LYS 41 -9.256 3.876 0.962 339 HD3 LYS 41 2HD LYS 41 -8.701 2.311 0.367 340 HE2 LYS 41 1HE LYS 41 -9.610 1.235 2.339 341 HE3 LYS 41 2HE LYS 41 -10.122 2.802 2.969 342 HZ1 LYS 41 3HZ LYS 41 -11.652 3.054 1.190 343 HZ2 LYS 41 1HZ LYS 41 -11.903 1.547 1.851 344 HZ3 LYS 41 2HZ LYS 41 -11.099 1.703 0.377 345 H ASP 42 H ASP 42 -5.494 6.813 1.045 346 HA ASP 42 HA ASP 42 -3.403 6.459 -0.764 347 HB2 ASP 42 1HB ASP 42 -4.881 8.318 -1.012 348 HB3 ASP 42 2HB ASP 42 -4.455 8.969 0.560 349 H HIS 43 H HIS 43 -3.475 7.661 2.516 350 HA HIS 43 HA HIS 43 -0.639 8.191 2.576 351 HD1 HIS 43 1HD HIS 43 -1.219 11.023 5.591 352 HD2 HIS 43 2HD HIS 43 -3.230 10.052 2.100 353 HE1 HIS 43 1HE HIS 43 -1.999 13.202 4.627 354 HE2 HIS 43 2HE HIS 43 -3.666 12.393 2.917 355 HB2 HIS 43 1HB HIS 43 -2.717 8.217 4.766 356 HB3 HIS 43 2HB HIS 43 -1.024 8.598 5.032 357 H LEU 44 H LEU 44 -2.719 5.570 3.473 358 HA LEU 44 HA LEU 44 -0.856 4.246 5.159 359 HG LEU 44 HG LEU 44 -1.848 2.061 6.126 360 HB2 LEU 44 1HB LEU 44 -3.334 4.022 5.260 361 HB3 LEU 44 2HB LEU 44 -3.294 3.177 3.738 362 HD11 LEU 44 1HD1 LEU 44 -4.086 2.516 6.899 363 HD12 LEU 44 2HD1 LEU 44 -3.961 0.784 6.556 364 HD13 LEU 44 3HD1 LEU 44 -4.761 1.860 5.416 365 HD21 LEU 44 3HD2 LEU 44 -2.315 -0.053 5.005 366 HD22 LEU 44 1HD2 LEU 44 -1.470 1.039 3.911 367 HD23 LEU 44 2HD2 LEU 44 -3.209 0.792 3.740 368 H GLN 45 H GLN 45 -1.960 3.475 1.794 369 HA GLN 45 HA GLN 45 0.201 1.692 1.543 370 HB2 GLN 45 1HB GLN 45 -1.843 2.684 -0.385 371 HB3 GLN 45 2HB GLN 45 -0.349 2.074 -1.071 372 HG2 GLN 45 1HG GLN 45 -1.877 0.254 -1.077 373 HG3 GLN 45 2HG GLN 45 -0.733 -0.066 0.211 374 HE21 GLN 45 1HE2 GLN 45 -2.142 -1.520 1.190 375 HE22 GLN 45 2HE2 GLN 45 -3.590 -1.116 2.026 376 H GLU 46 H GLU 46 -0.023 5.111 1.076 377 HA GLU 46 HA GLU 46 2.388 5.637 -0.304 378 HB2 GLU 46 1HB GLU 46 0.703 7.361 0.427 379 HB3 GLU 46 2HB GLU 46 1.272 7.144 2.072 380 HG2 GLU 46 1HG GLU 46 2.320 9.091 1.329 381 HG3 GLU 46 2HG GLU 46 3.545 7.843 1.216 382 H ALA 47 H ALA 47 1.655 5.029 3.084 383 HA ALA 47 HA ALA 47 4.134 5.458 4.284 384 HB1 ALA 47 3HB ALA 47 3.322 4.016 6.069 385 HB2 ALA 47 1HB ALA 47 2.111 5.219 5.590 386 HB3 ALA 47 2HB ALA 47 1.965 3.530 5.064 387 H LEU 48 H LEU 48 2.763 2.626 2.780 388 HA LEU 48 HA LEU 48 4.735 0.741 3.369 389 HG LEU 48 HG LEU 48 4.250 -1.527 2.017 390 HB2 LEU 48 1HB LEU 48 2.537 0.327 2.247 391 HB3 LEU 48 2HB LEU 48 3.174 1.034 0.789 392 HD11 LEU 48 1HD1 LEU 48 1.948 -1.807 1.445 393 HD12 LEU 48 2HD1 LEU 48 2.963 -2.640 0.261 394 HD13 LEU 48 3HD1 LEU 48 2.229 -1.081 -0.133 395 HD21 LEU 48 3HD2 LEU 48 5.176 -1.927 -0.210 396 HD22 LEU 48 1HD2 LEU 48 5.801 -0.412 0.447 397 HD23 LEU 48 2HD2 LEU 48 4.528 -0.387 -0.772 398 H GLU 49 H GLU 49 4.704 3.299 0.945 399 HA GLU 49 HA GLU 49 7.271 2.381 0.002 400 HB2 GLU 49 1HB GLU 49 5.788 2.922 -1.812 401 HB3 GLU 49 2HB GLU 49 5.384 4.471 -1.108 402 HG2 GLU 49 1HG GLU 49 6.847 4.644 -3.090 403 HG3 GLU 49 2HG GLU 49 7.553 5.358 -1.649 404 H THR 50 H THR 50 6.423 5.792 0.265 405 HA THR 50 HA THR 50 8.681 6.043 2.142 406 HB THR 50 HB THR 50 8.400 7.930 -0.235 407 HG1 THR 50 1HG THR 50 9.099 5.378 -0.356 408 HG21 THR 50 3HG2 THR 50 9.760 8.726 1.671 409 HG22 THR 50 1HG2 THR 50 10.762 8.417 0.253 410 HG23 THR 50 2HG2 THR 50 10.740 7.260 1.581 411 H GLY 51 H GLY 51 5.679 6.293 2.216 412 HA2 GLY 51 1HA GLY 51 5.177 9.065 2.788 413 HA3 GLY 51 2HA GLY 51 4.083 7.714 3.062 414 H CYS 52 H CYS 52 3.586 7.436 5.056 415 HA CYS 52 HA CYS 52 5.672 7.803 6.993 416 HB2 CYS 52 1HB CYS 52 4.578 9.954 6.967 417 HB3 CYS 52 2HB CYS 52 3.006 9.196 7.196 418 H GLU 53 H GLU 53 5.738 5.691 7.457 419 HA GLU 53 HA GLU 53 3.545 3.964 7.998 420 HB2 GLU 53 1HB GLU 53 5.804 3.184 7.384 421 HB3 GLU 53 2HB GLU 53 6.432 3.847 8.885 422 HG2 GLU 53 1HG GLU 53 4.861 2.297 10.089 423 HG3 GLU 53 2HG GLU 53 4.561 1.539 8.524 424 H LYS 54 H LYS 54 5.874 5.550 10.008 425 HA LYS 54 HA LYS 54 4.747 4.727 12.460 426 HB2 LYS 54 1HB LYS 54 6.530 6.241 13.438 427 HB3 LYS 54 2HB LYS 54 7.062 4.930 12.411 428 HG2 LYS 54 1HG LYS 54 8.386 6.825 11.874 429 HG3 LYS 54 2HG LYS 54 7.289 6.573 10.526 430 HD2 LYS 54 1HD LYS 54 7.382 8.925 10.961 431 HD3 LYS 54 2HD LYS 54 5.813 8.350 11.529 432 HE2 LYS 54 1HE LYS 54 6.743 9.861 13.165 433 HE3 LYS 54 2HE LYS 54 6.738 8.237 13.833 434 HZ1 LYS 54 3HZ LYS 54 8.832 9.351 14.260 435 HZ2 LYS 54 1HZ LYS 54 9.061 9.602 12.615 436 HZ3 LYS 54 2HZ LYS 54 9.090 8.039 13.254 437 H CYS 55 H CYS 55 3.046 6.496 10.754 438 HA CYS 55 HA CYS 55 2.769 8.901 12.275 439 HB2 CYS 55 1HB CYS 55 1.606 7.831 9.824 440 HB3 CYS 55 2HB CYS 55 0.537 8.890 10.714 441 H THR 56 H THR 56 -0.329 7.588 11.499 442 HA THR 56 HA THR 56 -0.855 7.435 14.356 443 HB THR 56 HB THR 56 -2.764 7.554 11.998 444 HG1 THR 56 1HG THR 56 -1.347 9.472 12.572 445 HG21 THR 56 3HG2 THR 56 -3.771 6.542 14.013 446 HG22 THR 56 1HG2 THR 56 -4.476 8.126 13.688 447 HG23 THR 56 2HG2 THR 56 -3.273 7.942 14.961 448 H GLU 57 H GLU 57 -1.934 5.572 15.158 449 HA GLU 57 HA GLU 57 -0.884 3.181 14.556 450 HB2 GLU 57 1HB GLU 57 -2.714 2.149 15.832 451 HB3 GLU 57 2HB GLU 57 -2.021 3.565 16.611 452 HG2 GLU 57 1HG GLU 57 -3.883 4.910 15.881 453 HG3 GLU 57 2HG GLU 57 -4.567 3.535 15.022 454 H ALA 58 H ALA 58 -3.949 4.346 13.093 455 HA ALA 58 HA ALA 58 -4.600 1.902 11.870 456 HB1 ALA 58 3HB ALA 58 -6.174 3.855 12.095 457 HB2 ALA 58 1HB ALA 58 -5.295 4.614 10.770 458 HB3 ALA 58 2HB ALA 58 -6.148 3.108 10.494 459 H GLN 59 H GLN 59 -2.624 4.577 10.801 460 HA GLN 59 HA GLN 59 -2.065 3.329 8.286 461 HB2 GLN 59 1HB GLN 59 -0.910 5.763 9.620 462 HB3 GLN 59 2HB GLN 59 -0.300 5.137 8.094 463 HG2 GLN 59 1HG GLN 59 -2.476 5.439 7.073 464 HG3 GLN 59 2HG GLN 59 -3.133 6.016 8.599 465 HE21 GLN 59 1HE2 GLN 59 0.093 6.851 7.457 466 HE22 GLN 59 2HE2 GLN 59 -0.289 8.511 7.163 467 H GLU 60 H GLU 60 -0.359 3.716 11.351 468 HA GLU 60 HA GLU 60 2.066 2.526 10.776 469 HB2 GLU 60 1HB GLU 60 0.387 2.081 13.230 470 HB3 GLU 60 2HB GLU 60 2.078 1.641 13.088 471 HG2 GLU 60 1HG GLU 60 2.547 3.939 12.584 472 HG3 GLU 60 2HG GLU 60 0.897 4.378 13.006 473 H LYS 61 H LYS 61 -0.701 0.931 12.056 474 HA LYS 61 HA LYS 61 0.287 -1.730 11.681 475 HB2 LYS 61 1HB LYS 61 -2.584 -0.903 12.168 476 HB3 LYS 61 2HB LYS 61 -1.946 -2.528 12.334 477 HG2 LYS 61 1HG LYS 61 -1.225 -0.133 14.022 478 HG3 LYS 61 2HG LYS 61 -2.210 -1.505 14.512 479 HD2 LYS 61 1HD LYS 61 0.722 -1.635 13.751 480 HD3 LYS 61 2HD LYS 61 0.086 -1.621 15.392 481 HE2 LYS 61 1HE LYS 61 -1.039 -3.741 15.009 482 HE3 LYS 61 2HE LYS 61 -0.506 -3.745 13.329 483 HZ1 LYS 61 3HZ LYS 61 1.752 -3.871 14.047 484 HZ2 LYS 61 1HZ LYS 61 0.888 -5.146 14.718 485 HZ3 LYS 61 2HZ LYS 61 1.325 -3.831 15.680 486 H GLY 62 H GLY 62 -1.717 0.386 9.839 487 HA2 GLY 62 1HA GLY 62 -2.642 -1.442 7.912 488 HA3 GLY 62 2HA GLY 62 -2.471 0.326 7.732 489 H ALA 63 H ALA 63 0.221 0.615 8.074 490 HA ALA 63 HA ALA 63 1.214 0.075 5.541 491 HB1 ALA 63 3HB ALA 63 2.023 1.912 6.923 492 HB2 ALA 63 1HB ALA 63 2.720 0.751 8.052 493 HB3 ALA 63 2HB ALA 63 3.353 0.873 6.404 494 H GLU 64 H GLU 64 1.947 -1.464 8.669 495 HA GLU 64 HA GLU 64 3.797 -3.252 7.524 496 HB2 GLU 64 1HB GLU 64 3.669 -4.566 9.597 497 HB3 GLU 64 2HB GLU 64 3.926 -2.854 9.887 498 HG2 GLU 64 1HG GLU 64 1.647 -2.579 10.526 499 HG3 GLU 64 2HG GLU 64 1.279 -4.248 10.103 500 H THR 65 H THR 65 0.320 -3.579 7.919 501 HA THR 65 HA THR 65 0.344 -6.343 7.001 502 HB THR 65 HB THR 65 -1.466 -5.387 8.522 503 HG1 THR 65 1HG THR 65 -1.836 -7.292 7.325 504 HG21 THR 65 3HG2 THR 65 -2.438 -4.079 5.981 505 HG22 THR 65 1HG2 THR 65 -1.827 -3.253 7.414 506 HG23 THR 65 2HG2 THR 65 -3.336 -4.164 7.498 507 H SER 66 H SER 66 -0.104 -3.230 5.444 508 HA SER 66 HA SER 66 -0.664 -4.445 2.997 509 HG SER 66 HG SER 66 0.285 -2.758 1.213 510 HB2 SER 66 1HB SER 66 -1.142 -2.033 3.546 511 HB3 SER 66 2HB SER 66 0.583 -1.715 3.390 512 H ILE 67 H ILE 67 2.341 -3.524 4.563 513 HA ILE 67 HA ILE 67 4.064 -3.995 2.395 514 HB ILE 67 HB ILE 67 4.574 -4.197 5.385 515 HG12 ILE 67 1HG1 ILE 67 5.492 -2.118 3.395 516 HG13 ILE 67 2HG1 ILE 67 4.045 -1.938 4.391 517 HG21 ILE 67 1HG2 ILE 67 6.178 -5.637 4.251 518 HG22 ILE 67 2HG2 ILE 67 6.983 -4.198 4.874 519 HG23 ILE 67 3HG2 ILE 67 6.607 -4.326 3.156 520 HD11 ILE 67 3HD1 ILE 67 5.880 -0.687 5.300 521 HD12 ILE 67 1HD1 ILE 67 6.902 -2.135 5.325 522 HD13 ILE 67 2HD1 ILE 67 5.487 -2.034 6.383 523 H ASP 68 H ASP 68 2.912 -6.136 4.957 524 HA ASP 68 HA ASP 68 4.341 -8.425 4.368 525 HB2 ASP 68 1HB ASP 68 3.093 -8.444 6.363 526 HB3 ASP 68 2HB ASP 68 1.612 -7.977 5.549 527 H TYR 69 H TYR 69 1.054 -7.677 3.181 528 HA TYR 69 HA TYR 69 1.300 -10.032 1.579 529 HD1 TYR 69 1HD TYR 69 -0.677 -11.559 2.703 530 HD2 TYR 69 2HD TYR 69 -1.711 -9.421 -0.811 531 HE1 TYR 69 1HE TYR 69 -1.500 -13.631 1.709 532 HE2 TYR 69 2HE TYR 69 -2.545 -11.500 -1.819 533 HH TYR 69 HH TYR 69 -3.021 -14.352 -0.017 534 HB2 TYR 69 1HB TYR 69 -0.870 -9.116 2.715 535 HB3 TYR 69 2HB TYR 69 -1.036 -8.254 1.184 536 H LEU 70 H LEU 70 1.414 -6.584 0.889 537 HA LEU 70 HA LEU 70 1.207 -6.936 -1.903 538 HG LEU 70 HG LEU 70 1.441 -4.899 -3.143 539 HB2 LEU 70 1HB LEU 70 0.821 -4.789 -0.587 540 HB3 LEU 70 2HB LEU 70 2.549 -4.689 -0.421 541 HD11 LEU 70 1HD1 LEU 70 1.449 -2.372 -1.463 542 HD12 LEU 70 2HD1 LEU 70 0.017 -3.194 -2.078 543 HD13 LEU 70 3HD1 LEU 70 1.142 -2.426 -3.198 544 HD21 LEU 70 3HD2 LEU 70 3.839 -4.860 -2.804 545 HD22 LEU 70 1HD2 LEU 70 3.704 -3.339 -1.917 546 HD23 LEU 70 2HD2 LEU 70 3.300 -3.400 -3.635 547 H ILE 71 H ILE 71 4.035 -6.756 0.248 548 HA ILE 71 HA ILE 71 5.826 -6.880 -1.929 549 HB ILE 71 HB ILE 71 6.259 -7.535 0.998 550 HG12 ILE 71 1HG1 ILE 71 5.743 -5.175 0.567 551 HG13 ILE 71 2HG1 ILE 71 7.405 -5.364 1.100 552 HG21 ILE 71 1HG2 ILE 71 8.359 -7.265 -1.146 553 HG22 ILE 71 2HG2 ILE 71 7.900 -8.752 -0.320 554 HG23 ILE 71 3HG2 ILE 71 8.665 -7.448 0.582 555 HD11 ILE 71 3HD1 ILE 71 6.484 -4.904 -1.737 556 HD12 ILE 71 1HD1 ILE 71 8.164 -5.123 -1.221 557 HD13 ILE 71 2HD1 ILE 71 7.244 -3.722 -0.665 558 H LYS 72 H LYS 72 4.289 -9.443 0.014 559 HA LYS 72 HA LYS 72 5.921 -11.343 -1.443 560 HB2 LYS 72 1HB LYS 72 5.114 -13.065 0.014 561 HB3 LYS 72 2HB LYS 72 5.570 -11.670 0.974 562 HG2 LYS 72 1HG LYS 72 3.130 -11.058 1.008 563 HG3 LYS 72 2HG LYS 72 2.812 -12.656 0.325 564 HD2 LYS 72 1HD LYS 72 4.019 -13.665 2.234 565 HD3 LYS 72 2HD LYS 72 4.215 -12.056 2.925 566 HE2 LYS 72 1HE LYS 72 1.730 -11.826 2.896 567 HE3 LYS 72 2HE LYS 72 1.636 -13.517 2.410 568 HZ1 LYS 72 3HZ LYS 72 2.658 -12.392 4.945 569 HZ2 LYS 72 1HZ LYS 72 2.935 -14.008 4.501 570 HZ3 LYS 72 2HZ LYS 72 1.364 -13.446 4.716 571 H ASN 73 H ASN 73 3.051 -9.855 -2.194 572 HA ASN 73 HA ASN 73 2.295 -12.162 -3.907 573 HB2 ASN 73 1HB ASN 73 0.582 -11.938 -2.164 574 HB3 ASN 73 2HB ASN 73 0.360 -10.244 -2.581 575 HD21 ASN 73 1HD2 ASN 73 -1.805 -10.323 -3.247 576 HD22 ASN 73 2HD2 ASN 73 -2.288 -11.190 -4.641 577 H GLU 74 H GLU 74 1.755 -8.632 -3.570 578 HA GLU 74 HA GLU 74 1.585 -8.507 -6.491 579 HB2 GLU 74 1HB GLU 74 0.208 -6.836 -4.396 580 HB3 GLU 74 2HB GLU 74 0.224 -6.415 -6.097 581 HG2 GLU 74 1HG GLU 74 -0.945 -8.928 -4.919 582 HG3 GLU 74 2HG GLU 74 -1.855 -7.506 -5.428 583 H LEU 75 H LEU 75 3.875 -8.319 -6.426 584 HA LEU 75 HA LEU 75 5.132 -6.141 -5.062 585 HG LEU 75 HG LEU 75 7.763 -6.046 -6.698 586 HB2 LEU 75 1HB LEU 75 6.226 -8.330 -5.466 587 HB3 LEU 75 2HB LEU 75 6.280 -7.957 -7.175 588 HD11 LEU 75 1HD1 LEU 75 7.648 -7.079 -3.870 589 HD12 LEU 75 2HD1 LEU 75 7.058 -5.520 -4.447 590 HD13 LEU 75 3HD1 LEU 75 8.782 -5.869 -4.464 591 HD21 LEU 75 3HD2 LEU 75 8.715 -8.220 -7.286 592 HD22 LEU 75 1HD2 LEU 75 8.715 -8.687 -5.587 593 HD23 LEU 75 2HD2 LEU 75 9.749 -7.370 -6.139 594 H GLU 76 H GLU 76 3.699 -6.525 -8.156 595 HA GLU 76 HA GLU 76 5.187 -4.519 -9.534 596 HB2 GLU 76 1HB GLU 76 2.396 -5.535 -10.136 597 HB3 GLU 76 2HB GLU 76 3.393 -4.538 -11.159 598 HG2 GLU 76 1HG GLU 76 4.162 -7.293 -10.283 599 HG3 GLU 76 2HG GLU 76 3.392 -6.904 -11.820 600 H ILE 77 H ILE 77 2.430 -4.542 -7.464 601 HA ILE 77 HA ILE 77 1.527 -1.908 -7.992 602 HB ILE 77 HB ILE 77 1.184 -3.541 -5.453 603 HG12 ILE 77 1HG1 ILE 77 0.328 -4.730 -7.408 604 HG13 ILE 77 2HG1 ILE 77 -0.999 -4.185 -6.372 605 HG21 ILE 77 1HG2 ILE 77 -0.406 -1.176 -6.461 606 HG22 ILE 77 2HG2 ILE 77 0.703 -1.170 -5.092 607 HG23 ILE 77 3HG2 ILE 77 -0.779 -2.127 -5.023 608 HD11 ILE 77 3HD1 ILE 77 -1.539 -3.915 -8.718 609 HD12 ILE 77 1HD1 ILE 77 -0.095 -2.933 -8.965 610 HD13 ILE 77 2HD1 ILE 77 -1.402 -2.332 -7.946 611 H TRP 78 H TRP 78 3.921 -3.288 -5.837 612 HA TRP 78 HA TRP 78 4.474 -0.960 -4.343 613 HD1 TRP 78 HD TRP 78 6.172 -0.546 -2.290 614 HE1 TRP 78 1HE TRP 78 8.599 0.149 -1.848 615 HE3 TRP 78 3HE TRP 78 8.502 -3.649 -5.597 616 HZ2 TRP 78 2HZ TRP 78 11.141 -0.544 -2.763 617 HZ3 TRP 78 3HZ TRP 78 10.946 -3.577 -5.747 618 HH2 TRP 78 HH TRP 78 12.248 -2.055 -4.360 619 HB2 TRP 78 1HB TRP 78 5.349 -3.066 -3.532 620 HB3 TRP 78 2HB TRP 78 6.245 -3.317 -5.026 621 H LYS 79 H LYS 79 5.789 -2.231 -7.332 622 HA LYS 79 HA LYS 79 7.726 -0.275 -7.849 623 HB2 LYS 79 1HB LYS 79 5.990 -1.794 -9.788 624 HB3 LYS 79 2HB LYS 79 7.409 -0.869 -10.248 625 HG2 LYS 79 1HG LYS 79 8.817 -2.362 -8.955 626 HG3 LYS 79 2HG LYS 79 7.392 -3.259 -8.419 627 HD2 LYS 79 1HD LYS 79 6.890 -3.860 -10.729 628 HD3 LYS 79 2HD LYS 79 8.274 -2.924 -11.284 629 HE2 LYS 79 1HE LYS 79 9.781 -4.394 -10.106 630 HE3 LYS 79 2HE LYS 79 8.422 -5.293 -9.432 631 HZ1 LYS 79 3HZ LYS 79 9.428 -6.381 -11.340 632 HZ2 LYS 79 1HZ LYS 79 9.038 -5.075 -12.326 633 HZ3 LYS 79 2HZ LYS 79 7.806 -5.996 -11.612 634 H GLU 80 H GLU 80 4.272 -0.268 -8.321 635 HA GLU 80 HA GLU 80 4.296 2.191 -9.752 636 HB2 GLU 80 1HB GLU 80 2.002 0.696 -8.510 637 HB3 GLU 80 2HB GLU 80 1.840 2.131 -9.518 638 HG2 GLU 80 1HG GLU 80 3.087 0.884 -11.304 639 HG3 GLU 80 2HG GLU 80 2.931 -0.551 -10.300 640 H LEU 81 H LEU 81 3.960 1.325 -6.382 641 HA LEU 81 HA LEU 81 3.264 3.984 -5.553 642 HG LEU 81 HG LEU 81 2.533 0.920 -4.710 643 HB2 LEU 81 1HB LEU 81 4.678 1.893 -3.845 644 HB3 LEU 81 2HB LEU 81 3.782 3.274 -3.310 645 HD11 LEU 81 1HD1 LEU 81 2.479 1.727 -1.812 646 HD12 LEU 81 2HD1 LEU 81 3.288 0.317 -2.507 647 HD13 LEU 81 3HD1 LEU 81 1.524 0.433 -2.544 648 HD21 LEU 81 3HD2 LEU 81 1.309 2.987 -5.168 649 HD22 LEU 81 1HD2 LEU 81 1.278 3.367 -3.445 650 HD23 LEU 81 2HD2 LEU 81 0.396 1.973 -4.062 651 H THR 82 H THR 82 6.166 2.187 -6.105 652 HA THR 82 HA THR 82 8.054 4.069 -5.376 653 HB THR 82 HB THR 82 7.991 1.871 -7.444 654 HG1 THR 82 1HG THR 82 8.564 2.028 -4.805 655 HG21 THR 82 3HG2 THR 82 10.357 3.613 -6.743 656 HG22 THR 82 1HG2 THR 82 9.606 3.392 -8.329 657 HG23 THR 82 2HG2 THR 82 10.484 2.052 -7.573 658 H ALA 83 H ALA 83 6.465 3.542 -8.535 659 HA ALA 83 HA ALA 83 7.546 5.762 -9.858 660 HB1 ALA 83 3HB ALA 83 5.713 5.503 -11.458 661 HB2 ALA 83 1HB ALA 83 6.386 3.931 -11.016 662 HB3 ALA 83 2HB ALA 83 4.857 4.466 -10.319 663 H HIS 84 H HIS 84 4.922 5.532 -7.624 664 HA HIS 84 HA HIS 84 3.655 8.009 -8.097 665 HD1 HIS 84 1HD HIS 84 0.464 7.590 -6.074 666 HD2 HIS 84 2HD HIS 84 3.879 8.732 -4.026 667 HE1 HIS 84 1HE HIS 84 -0.308 9.122 -4.257 668 HE2 HIS 84 2HE HIS 84 1.753 9.295 -2.807 669 HB2 HIS 84 1HB HIS 84 2.473 6.324 -6.859 670 HB3 HIS 84 2HB HIS 84 3.757 6.197 -5.677 671 H PHE 85 H PHE 85 6.175 7.112 -5.738 672 HA PHE 85 HA PHE 85 6.354 9.981 -5.064 673 HD1 PHE 85 1HD PHE 85 9.227 8.961 -2.593 674 HD2 PHE 85 2HD PHE 85 5.282 10.483 -2.188 675 HE1 PHE 85 1HE PHE 85 10.046 10.637 -0.994 676 HE2 PHE 85 2HE PHE 85 6.090 12.162 -0.579 677 HZ PHE 85 HZ PHE 85 8.479 12.239 0.017 678 HB2 PHE 85 1HB PHE 85 5.662 8.370 -3.230 679 HB3 PHE 85 2HB PHE 85 7.268 7.680 -3.342 680 H ASP 86 H ASP 86 8.410 7.093 -5.410 681 HA ASP 86 HA ASP 86 10.647 8.823 -6.110 682 HB2 ASP 86 1HB ASP 86 10.922 8.642 -3.745 683 HB3 ASP 86 2HB ASP 86 10.589 6.919 -3.768 684 HA PRO 87 HA PRO 87 10.148 5.150 -8.837 685 HB2 PRO 87 1HB PRO 87 11.153 7.010 -10.875 686 HB3 PRO 87 2HB PRO 87 9.666 6.057 -10.867 687 HG2 PRO 87 1HG PRO 87 9.628 8.714 -10.549 688 HG3 PRO 87 2HG PRO 87 8.489 7.665 -9.689 689 HD2 PRO 87 1HD PRO 87 10.999 8.955 -8.696 690 HD3 PRO 87 2HD PRO 87 9.419 8.797 -7.896 691 H ASP 88 H ASP 88 12.826 7.429 -8.785 692 HA ASP 88 HA ASP 88 14.563 5.343 -9.814 693 HB2 ASP 88 1HB ASP 88 14.754 8.322 -9.868 694 HB3 ASP 88 2HB ASP 88 16.206 7.343 -10.066 695 H GLY 89 H GLY 89 13.625 5.410 -7.179 696 HA2 GLY 89 1HA GLY 89 15.668 6.196 -5.381 697 HA3 GLY 89 2HA GLY 89 14.376 5.061 -5.040 698 H LYS 90 H LYS 90 16.374 4.244 -3.801 699 HA LYS 90 HA LYS 90 18.477 2.991 -5.215 700 HB2 LYS 90 1HB LYS 90 18.518 3.775 -2.814 701 HB3 LYS 90 2HB LYS 90 17.496 2.406 -2.416 702 HG2 LYS 90 1HG LYS 90 19.807 1.962 -1.840 703 HG3 LYS 90 2HG LYS 90 19.275 0.876 -3.128 704 HD2 LYS 90 1HD LYS 90 20.400 2.218 -4.780 705 HD3 LYS 90 2HD LYS 90 20.830 3.423 -3.561 706 HE2 LYS 90 1HE LYS 90 22.226 1.833 -2.430 707 HE3 LYS 90 2HE LYS 90 21.735 0.543 -3.522 708 HZ1 LYS 90 3HZ LYS 90 23.266 2.981 -4.239 709 HZ2 LYS 90 1HZ LYS 90 22.744 1.803 -5.335 710 HZ3 LYS 90 2HZ LYS 90 23.869 1.409 -4.138 711 H TRP 91 H TRP 91 15.333 2.072 -4.305 712 HA TRP 91 HA TRP 91 13.901 0.423 -4.921 713 HD1 TRP 91 HD TRP 91 12.832 0.487 -8.192 714 HE1 TRP 91 1HE TRP 91 11.307 -1.446 -8.878 715 HE3 TRP 91 3HE TRP 91 15.263 -3.391 -5.853 716 HZ2 TRP 91 2HZ TRP 91 11.134 -4.232 -8.501 717 HZ3 TRP 91 3HZ TRP 91 14.339 -5.645 -6.077 718 HH2 TRP 91 HH TRP 91 12.316 -6.060 -7.369 719 HB2 TRP 91 1HB TRP 91 15.170 0.678 -7.156 720 HB3 TRP 91 2HB TRP 91 16.012 -0.793 -6.702 721 H ARG 92 H ARG 92 17.011 -1.182 -4.945 722 HA ARG 92 HA ARG 92 16.105 -3.607 -3.826 723 HE ARG 92 HE ARG 92 19.230 -1.600 -5.939 724 HB2 ARG 92 1HB ARG 92 18.853 -2.398 -4.065 725 HB3 ARG 92 2HB ARG 92 18.603 -3.931 -3.258 726 HG2 ARG 92 1HG ARG 92 19.335 -4.322 -5.511 727 HG3 ARG 92 2HG ARG 92 17.670 -4.849 -5.344 728 HD2 ARG 92 1HD ARG 92 18.012 -3.723 -7.474 729 HD3 ARG 92 2HD ARG 92 16.921 -2.786 -6.473 730 HH11 ARG 92 1HH1 ARG 92 17.793 -2.551 -9.029 731 HH12 ARG 92 2HH1 ARG 92 18.564 -1.322 -9.920 732 HH21 ARG 92 1HH2 ARG 92 20.289 0.073 -7.170 733 HH22 ARG 92 2HH2 ARG 92 20.029 0.182 -8.852 734 H LYS 93 H LYS 93 17.698 -0.842 -2.367 735 HA LYS 93 HA LYS 93 17.837 -1.783 0.245 736 HB2 LYS 93 1HB LYS 93 19.016 0.214 -0.533 737 HB3 LYS 93 2HB LYS 93 17.483 1.057 -0.694 738 HG2 LYS 93 1HG LYS 93 17.139 0.952 1.704 739 HG3 LYS 93 2HG LYS 93 18.633 0.035 1.899 740 HD2 LYS 93 1HD LYS 93 19.871 1.922 0.921 741 HD3 LYS 93 2HD LYS 93 18.369 2.843 0.845 742 HE2 LYS 93 1HE LYS 93 18.160 2.717 3.271 743 HE3 LYS 93 2HE LYS 93 19.627 1.746 3.359 744 HZ1 LYS 93 3HZ LYS 93 19.436 4.549 2.422 745 HZ2 LYS 93 1HZ LYS 93 20.835 3.621 2.388 746 HZ3 LYS 93 2HZ LYS 93 20.145 4.023 3.859 747 H LYS 94 H LYS 94 15.257 -0.112 -1.438 748 HA LYS 94 HA LYS 94 13.489 0.338 0.731 749 HB2 LYS 94 1HB LYS 94 12.906 -0.350 -2.106 750 HB3 LYS 94 2HB LYS 94 11.711 0.246 -0.960 751 HG2 LYS 94 1HG LYS 94 12.967 2.371 -0.901 752 HG3 LYS 94 2HG LYS 94 14.058 1.705 -2.138 753 HD2 LYS 94 1HD LYS 94 12.202 1.352 -3.640 754 HD3 LYS 94 2HD LYS 94 11.071 1.904 -2.411 755 HE2 LYS 94 1HE LYS 94 12.121 4.105 -2.478 756 HE3 LYS 94 2HE LYS 94 13.194 3.538 -3.765 757 HZ1 LYS 94 3HZ LYS 94 11.220 3.063 -5.103 758 HZ2 LYS 94 1HZ LYS 94 11.263 4.700 -4.672 759 HZ3 LYS 94 2HZ LYS 94 10.240 3.597 -3.873 760 H TYR 95 H TYR 95 13.783 -2.239 -1.627 761 HA TYR 95 HA TYR 95 11.644 -3.826 -0.891 762 HD1 TYR 95 1HD TYR 95 10.598 -5.233 -2.341 763 HD2 TYR 95 2HD TYR 95 14.501 -6.864 -2.686 764 HE1 TYR 95 1HE TYR 95 9.633 -7.413 -2.931 765 HE2 TYR 95 2HE TYR 95 13.542 -9.050 -3.264 766 HH TYR 95 HH TYR 95 11.494 -10.252 -2.995 767 HB2 TYR 95 1HB TYR 95 12.980 -3.910 -2.996 768 HB3 TYR 95 2HB TYR 95 14.289 -4.663 -2.104 769 H GLU 96 H GLU 96 15.050 -3.988 0.088 770 HA GLU 96 HA GLU 96 14.783 -6.104 1.931 771 HB2 GLU 96 1HB GLU 96 16.760 -3.816 1.870 772 HB3 GLU 96 2HB GLU 96 16.901 -5.231 2.899 773 HG2 GLU 96 1HG GLU 96 17.074 -6.644 0.901 774 HG3 GLU 96 2HG GLU 96 16.964 -5.206 -0.115 775 H ASP 97 H ASP 97 14.852 -2.608 2.391 776 HA ASP 97 HA ASP 97 14.642 -2.356 5.127 777 HB2 ASP 97 1HB ASP 97 15.137 -0.495 3.717 778 HB3 ASP 97 2HB ASP 97 13.589 -0.624 2.906 779 H ARG 98 H ARG 98 11.915 -2.304 2.843 780 HA ARG 98 HA ARG 98 9.959 -2.031 4.904 781 HE ARG 98 HE ARG 98 9.255 1.353 1.223 782 HB2 ARG 98 1HB ARG 98 9.708 -2.745 1.984 783 HB3 ARG 98 2HB ARG 98 8.320 -2.769 3.045 784 HG2 ARG 98 1HG ARG 98 8.420 -0.715 1.710 785 HG3 ARG 98 2HG ARG 98 8.554 -0.367 3.427 786 HD2 ARG 98 1HD ARG 98 10.833 0.122 3.256 787 HD3 ARG 98 2HD ARG 98 10.975 -0.668 1.693 788 HH11 ARG 98 1HH1 ARG 98 12.275 1.425 3.005 789 HH12 ARG 98 2HH1 ARG 98 12.946 2.757 2.178 790 HH21 ARG 98 1HH2 ARG 98 10.187 3.224 -0.004 791 HH22 ARG 98 2HH2 ARG 98 11.701 3.834 0.475 792 H ALA 99 H ALA 99 11.044 -4.791 2.964 793 HA ALA 99 HA ALA 99 9.113 -6.558 4.013 794 HB1 ALA 99 3HB ALA 99 10.156 -6.868 1.851 795 HB2 ALA 99 1HB ALA 99 11.707 -7.139 2.631 796 HB3 ALA 99 2HB ALA 99 10.393 -8.292 2.865 797 H LYS 100 H LYS 100 12.569 -6.123 4.734 798 HA LYS 100 HA LYS 100 12.587 -8.311 6.531 799 HB2 LYS 100 1HB LYS 100 14.608 -6.113 6.188 800 HB3 LYS 100 2HB LYS 100 14.826 -7.588 7.123 801 HG2 LYS 100 1HG LYS 100 14.351 -7.475 4.144 802 HG3 LYS 100 2HG LYS 100 15.911 -7.717 4.909 803 HD2 LYS 100 1HD LYS 100 13.533 -9.561 5.171 804 HD3 LYS 100 2HD LYS 100 14.915 -9.805 4.111 805 HE2 LYS 100 1HE LYS 100 14.903 -9.749 7.132 806 HE3 LYS 100 2HE LYS 100 15.217 -11.139 6.100 807 HZ1 LYS 100 3HZ LYS 100 17.306 -10.318 6.865 808 HZ2 LYS 100 1HZ LYS 100 16.932 -8.740 6.420 809 HZ3 LYS 100 2HZ LYS 100 17.177 -9.874 5.232 810 H ALA 101 H ALA 101 12.027 -4.880 6.983 811 HA ALA 101 HA ALA 101 12.402 -4.922 9.791 812 HB1 ALA 101 3HB ALA 101 11.240 -2.785 9.824 813 HB2 ALA 101 1HB ALA 101 12.384 -2.834 8.485 814 HB3 ALA 101 2HB ALA 101 10.663 -3.052 8.180 815 H LYS 102 H LYS 102 9.706 -5.742 7.729 816 HA LYS 102 HA LYS 102 7.989 -6.030 10.076 817 HB2 LYS 102 1HB LYS 102 7.297 -6.333 7.163 818 HB3 LYS 102 2HB LYS 102 6.159 -6.320 8.504 819 HG2 LYS 102 1HG LYS 102 7.924 -4.051 7.630 820 HG3 LYS 102 2HG LYS 102 6.182 -4.195 7.400 821 HD2 LYS 102 1HD LYS 102 5.859 -4.128 9.847 822 HD3 LYS 102 2HD LYS 102 7.605 -4.052 10.078 823 HE2 LYS 102 1HE LYS 102 7.638 -1.922 8.829 824 HE3 LYS 102 2HE LYS 102 5.882 -1.987 8.728 825 HZ1 LYS 102 3HZ LYS 102 7.446 -1.874 11.252 826 HZ2 LYS 102 1HZ LYS 102 5.765 -1.833 11.164 827 HZ3 LYS 102 2HZ LYS 102 6.695 -0.562 10.551 828 H GLY 103 H GLY 103 9.913 -7.834 8.103 829 HA2 GLY 103 1HA GLY 103 10.645 -10.007 8.768 830 HA3 GLY 103 2HA GLY 103 9.111 -10.236 9.599 831 H ILE 104 H ILE 104 9.866 -9.292 6.282 832 HA ILE 104 HA ILE 104 8.304 -11.588 5.342 833 HB ILE 104 HB ILE 104 8.899 -8.964 3.941 834 HG12 ILE 104 1HG1 ILE 104 7.353 -8.565 5.756 835 HG13 ILE 104 2HG1 ILE 104 6.490 -8.461 4.227 836 HG21 ILE 104 1HG2 ILE 104 7.265 -9.667 2.255 837 HG22 ILE 104 2HG2 ILE 104 7.095 -11.223 3.071 838 HG23 ILE 104 3HG2 ILE 104 8.638 -10.770 2.344 839 HD11 ILE 104 3HD1 ILE 104 5.179 -9.620 5.917 840 HD12 ILE 104 1HD1 ILE 104 6.469 -10.802 6.123 841 HD13 ILE 104 2HD1 ILE 104 5.596 -10.709 4.593 842 H VAL 105 H VAL 105 9.382 -13.058 4.139 843 HA VAL 105 HA VAL 105 12.201 -12.615 3.701 844 HB VAL 105 HB VAL 105 12.256 -15.005 2.894 845 HG11 VAL 105 1HG1 VAL 105 11.900 -15.978 5.135 846 HG12 VAL 105 2HG1 VAL 105 12.809 -14.465 5.173 847 HG13 VAL 105 3HG1 VAL 105 11.109 -14.477 5.623 848 HG21 VAL 105 3HG2 VAL 105 9.371 -15.006 3.801 849 HG22 VAL 105 1HG2 VAL 105 10.308 -16.423 3.332 850 HG23 VAL 105 2HG2 VAL 105 9.927 -15.184 2.138 851 H ILE 106 H ILE 106 13.161 -12.101 1.913 852 HA ILE 106 HA ILE 106 11.796 -12.385 -0.640 853 HB ILE 106 HB ILE 106 12.294 -10.126 -1.360 854 HG12 ILE 106 1HG1 ILE 106 14.317 -9.679 0.030 855 HG13 ILE 106 2HG1 ILE 106 13.190 -8.339 0.065 856 HG21 ILE 106 1HG2 ILE 106 10.734 -10.094 1.193 857 HG22 ILE 106 2HG2 ILE 106 10.131 -10.419 -0.432 858 HG23 ILE 106 3HG2 ILE 106 10.729 -8.810 -0.016 859 HD11 ILE 106 3HD1 ILE 106 13.644 -10.375 2.215 860 HD12 ILE 106 1HD1 ILE 106 12.437 -9.093 2.270 861 HD13 ILE 106 2HD1 ILE 106 14.152 -8.685 2.215 862 HA PRO 107 HA PRO 107 15.992 -13.272 -2.014 863 HB2 PRO 107 1HB PRO 107 15.406 -11.664 -4.441 864 HB3 PRO 107 2HB PRO 107 15.926 -13.350 -4.323 865 HG2 PRO 107 1HG PRO 107 13.421 -12.743 -4.999 866 HG3 PRO 107 2HG PRO 107 13.766 -14.119 -3.935 867 HD2 PRO 107 1HD PRO 107 12.785 -11.385 -3.241 868 HD3 PRO 107 2HD PRO 107 12.267 -12.964 -2.602 869 H GLU 108 H GLU 108 17.380 -12.095 -0.822 870 HA GLU 108 HA GLU 108 17.532 -9.201 -1.141 871 HB2 GLU 108 1HB GLU 108 18.928 -11.044 0.830 872 HB3 GLU 108 2HB GLU 108 18.870 -9.285 0.903 873 HG2 GLU 108 1HG GLU 108 16.559 -9.284 1.387 874 HG3 GLU 108 2HG GLU 108 16.428 -11.008 1.055 Start of MODEL 10 1 HA TYR 1 HA TYR 1 -21.766 -0.582 0.616 2 HD1 TYR 1 1HD TYR 1 -20.580 -0.090 -2.033 3 HD2 TYR 1 2HD TYR 1 -21.881 3.638 -0.448 4 HE1 TYR 1 1HE TYR 1 -21.300 0.629 -4.282 5 HE2 TYR 1 2HE TYR 1 -22.605 4.347 -2.665 6 HH TYR 1 HH TYR 1 -22.082 3.841 -4.983 7 H1 TYR 1 1HT TYR 1 -22.997 1.898 1.641 8 H2 TYR 1 2HT TYR 1 -23.639 0.360 1.745 9 H3 TYR 1 3HT TYR 1 -23.488 1.085 0.227 10 HB2 TYR 1 1HB TYR 1 -20.571 2.203 0.887 11 HB3 TYR 1 2HB TYR 1 -19.786 0.786 0.219 12 H THR 2 H THR 2 -20.660 -1.671 2.239 13 HA THR 2 HA THR 2 -19.713 -0.113 4.414 14 HB THR 2 HB THR 2 -21.889 -0.703 5.321 15 HG1 THR 2 1HG THR 2 -19.696 -2.062 6.455 16 HG21 THR 2 3HG2 THR 2 -22.438 -2.682 3.974 17 HG22 THR 2 1HG2 THR 2 -22.616 -3.039 5.692 18 HG23 THR 2 2HG2 THR 2 -21.199 -3.610 4.814 19 H ASP 3 H ASP 3 -17.763 -0.431 3.837 20 HA ASP 3 HA ASP 3 -15.771 -1.265 3.824 21 HB2 ASP 3 1HB ASP 3 -16.930 -3.650 5.250 22 HB3 ASP 3 2HB ASP 3 -15.200 -3.421 4.956 23 H LYS 4 H LYS 4 -14.368 -3.272 3.120 24 HA LYS 4 HA LYS 4 -13.342 -3.719 1.213 25 HB2 LYS 4 1HB LYS 4 -16.068 -4.766 0.416 26 HB3 LYS 4 2HB LYS 4 -14.657 -4.944 -0.618 27 HG2 LYS 4 1HG LYS 4 -13.536 -6.151 1.235 28 HG3 LYS 4 2HG LYS 4 -15.056 -6.078 2.127 29 HD2 LYS 4 1HD LYS 4 -16.158 -7.263 0.247 30 HD3 LYS 4 2HD LYS 4 -14.583 -7.393 -0.527 31 HE2 LYS 4 1HE LYS 4 -13.715 -8.708 1.273 32 HE3 LYS 4 2HE LYS 4 -15.172 -8.462 2.227 33 HZ1 LYS 4 3HZ LYS 4 -16.417 -9.738 0.636 34 HZ2 LYS 4 1HZ LYS 4 -15.090 -10.634 1.150 35 HZ3 LYS 4 2HZ LYS 4 -15.058 -9.902 -0.361 36 H TYR 5 H TYR 5 -12.541 -2.346 -0.180 37 HA TYR 5 HA TYR 5 -12.190 -0.415 -1.174 38 HD1 TYR 5 1HD TYR 5 -16.192 0.679 -2.244 39 HD2 TYR 5 2HD TYR 5 -14.550 -3.009 -3.592 40 HE1 TYR 5 1HE TYR 5 -18.458 -0.170 -2.672 41 HE2 TYR 5 2HE TYR 5 -16.805 -3.864 -4.018 42 HH TYR 5 HH TYR 5 -19.554 -1.867 -4.065 43 HB2 TYR 5 1HB TYR 5 -13.784 0.423 -3.002 44 HB3 TYR 5 2HB TYR 5 -13.115 -1.159 -3.258 45 H ASP 6 H ASP 6 -15.176 -0.411 0.324 46 HA ASP 6 HA ASP 6 -15.478 2.360 0.535 47 HB2 ASP 6 1HB ASP 6 -17.426 1.107 0.631 48 HB3 ASP 6 2HB ASP 6 -16.765 -0.019 1.803 49 H LYS 7 H LYS 7 -13.722 0.028 2.630 50 HA LYS 7 HA LYS 7 -12.878 2.231 4.130 51 HB2 LYS 7 1HB LYS 7 -15.174 2.325 4.948 52 HB3 LYS 7 2HB LYS 7 -14.980 0.750 5.691 53 HG2 LYS 7 1HG LYS 7 -13.304 1.649 7.211 54 HG3 LYS 7 2HG LYS 7 -13.404 3.209 6.414 55 HD2 LYS 7 1HD LYS 7 -14.661 3.368 8.449 56 HD3 LYS 7 2HD LYS 7 -15.806 3.353 7.124 57 HE2 LYS 7 1HE LYS 7 -15.103 0.927 8.800 58 HE3 LYS 7 2HE LYS 7 -16.451 1.995 9.147 59 HZ1 LYS 7 3HZ LYS 7 -17.322 1.375 6.883 60 HZ2 LYS 7 1HZ LYS 7 -17.259 0.117 7.996 61 HZ3 LYS 7 2HZ LYS 7 -16.102 0.165 6.836 62 H ILE 8 H ILE 8 -13.437 -0.627 6.208 63 HA ILE 8 HA ILE 8 -10.560 -0.458 6.850 64 HB ILE 8 HB ILE 8 -11.109 -2.051 8.702 65 HG12 ILE 8 1HG1 ILE 8 -13.961 -1.637 7.829 66 HG13 ILE 8 2HG1 ILE 8 -13.064 -3.101 7.496 67 HG21 ILE 8 1HG2 ILE 8 -12.312 -0.466 10.084 68 HG22 ILE 8 2HG2 ILE 8 -12.857 0.399 8.658 69 HG23 ILE 8 3HG2 ILE 8 -11.140 0.379 9.071 70 HD11 ILE 8 3HD1 ILE 8 -12.893 -3.466 9.946 71 HD12 ILE 8 1HD1 ILE 8 -14.563 -3.375 9.389 72 HD13 ILE 8 2HD1 ILE 8 -13.826 -1.991 10.201 73 H ASN 9 H ASN 9 -10.994 -1.471 4.459 74 HA ASN 9 HA ASN 9 -10.927 -4.413 4.543 75 HB2 ASN 9 1HB ASN 9 -11.304 -4.214 2.147 76 HB3 ASN 9 2HB ASN 9 -12.521 -3.366 3.095 77 HD21 ASN 9 1HD2 ASN 9 -9.579 -2.851 1.309 78 HD22 ASN 9 2HD2 ASN 9 -9.845 -1.261 0.794 79 H LEU 10 H LEU 10 -8.467 -2.905 5.313 80 HA LEU 10 HA LEU 10 -7.021 -2.422 2.886 81 HG LEU 10 HG LEU 10 -5.725 0.127 5.226 82 HB2 LEU 10 1HB LEU 10 -5.917 -2.393 5.704 83 HB3 LEU 10 2HB LEU 10 -5.079 -1.858 4.270 84 HD11 LEU 10 1HD1 LEU 10 -7.919 -0.444 3.308 85 HD12 LEU 10 2HD1 LEU 10 -6.296 0.144 2.947 86 HD13 LEU 10 3HD1 LEU 10 -7.406 1.144 3.880 87 HD21 LEU 10 3HD2 LEU 10 -7.820 0.622 6.286 88 HD22 LEU 10 1HD2 LEU 10 -7.128 -0.848 6.986 89 HD23 LEU 10 2HD2 LEU 10 -8.481 -0.958 5.831 90 H GLN 11 H GLN 11 -7.185 -4.927 5.196 91 HA GLN 11 HA GLN 11 -5.070 -6.316 3.838 92 HB2 GLN 11 1HB GLN 11 -6.641 -6.933 6.293 93 HB3 GLN 11 2HB GLN 11 -5.525 -8.084 5.563 94 HG2 GLN 11 1HG GLN 11 -4.811 -5.310 6.475 95 HG3 GLN 11 2HG GLN 11 -4.484 -6.795 7.369 96 HE21 GLN 11 1HE2 GLN 11 -3.595 -4.906 4.465 97 HE22 GLN 11 2HE2 GLN 11 -2.117 -5.723 4.249 98 H GLU 12 H GLU 12 -8.541 -6.236 3.849 99 HA GLU 12 HA GLU 12 -8.964 -8.952 3.040 100 HB2 GLU 12 1HB GLU 12 -10.716 -6.489 2.904 101 HB3 GLU 12 2HB GLU 12 -11.249 -8.072 2.383 102 HG2 GLU 12 1HG GLU 12 -12.111 -7.532 4.579 103 HG3 GLU 12 2HG GLU 12 -11.012 -8.903 4.673 104 H ILE 13 H ILE 13 -8.889 -5.868 1.557 105 HA ILE 13 HA ILE 13 -9.346 -6.777 -1.068 106 HB ILE 13 HB ILE 13 -8.488 -4.197 0.151 107 HG12 ILE 13 1HG1 ILE 13 -10.857 -4.660 0.315 108 HG13 ILE 13 2HG1 ILE 13 -10.583 -3.349 -0.834 109 HG21 ILE 13 1HG2 ILE 13 -8.631 -4.740 -2.763 110 HG22 ILE 13 2HG2 ILE 13 -7.237 -4.260 -1.780 111 HG23 ILE 13 3HG2 ILE 13 -8.572 -3.135 -2.024 112 HD11 ILE 13 3HD1 ILE 13 -10.767 -5.039 -2.622 113 HD12 ILE 13 1HD1 ILE 13 -12.264 -4.717 -1.719 114 HD13 ILE 13 2HD1 ILE 13 -11.337 -6.166 -1.369 115 H LEU 14 H LEU 14 -6.411 -5.727 0.700 116 HA LEU 14 HA LEU 14 -4.670 -5.863 -1.463 117 HG LEU 14 HG LEU 14 -2.078 -6.602 0.047 118 HB2 LEU 14 1HB LEU 14 -4.304 -4.667 0.642 119 HB3 LEU 14 2HB LEU 14 -4.082 -6.198 1.450 120 HD11 LEU 14 1HD1 LEU 14 -2.655 -3.820 -0.924 121 HD12 LEU 14 2HD1 LEU 14 -2.557 -5.317 -1.881 122 HD13 LEU 14 3HD1 LEU 14 -1.122 -4.665 -1.117 123 HD21 LEU 14 3HD2 LEU 14 -1.882 -5.681 2.256 124 HD22 LEU 14 1HD2 LEU 14 -2.155 -4.059 1.617 125 HD23 LEU 14 2HD2 LEU 14 -0.694 -4.945 1.181 126 H GLU 15 H GLU 15 -5.897 -8.397 0.527 127 HA GLU 15 HA GLU 15 -3.831 -10.229 0.032 128 HB2 GLU 15 1HB GLU 15 -5.236 -10.526 1.892 129 HB3 GLU 15 2HB GLU 15 -6.696 -10.629 0.903 130 HG2 GLU 15 1HG GLU 15 -5.868 -12.738 -0.040 131 HG3 GLU 15 2HG GLU 15 -4.421 -12.606 0.954 132 H ASN 16 H ASN 16 -6.276 -9.079 -2.057 133 HA ASN 16 HA ASN 16 -5.657 -11.239 -3.965 134 HB2 ASN 16 1HB ASN 16 -8.391 -10.087 -3.391 135 HB3 ASN 16 2HB ASN 16 -8.021 -11.032 -4.820 136 HD21 ASN 16 1HD2 ASN 16 -8.569 -11.077 -1.424 137 HD22 ASN 16 2HD2 ASN 16 -8.696 -12.787 -1.259 138 H LYS 17 H LYS 17 -4.950 -10.354 -5.940 139 HA LYS 17 HA LYS 17 -4.983 -7.534 -6.131 140 HB2 LYS 17 1HB LYS 17 -3.887 -7.593 -8.248 141 HB3 LYS 17 2HB LYS 17 -3.200 -8.886 -7.289 142 HG2 LYS 17 1HG LYS 17 -5.385 -9.366 -9.288 143 HG3 LYS 17 2HG LYS 17 -3.689 -9.319 -9.757 144 HD2 LYS 17 1HD LYS 17 -4.868 -11.142 -7.686 145 HD3 LYS 17 2HD LYS 17 -4.608 -11.581 -9.366 146 HE2 LYS 17 1HE LYS 17 -2.488 -10.860 -7.319 147 HE3 LYS 17 2HE LYS 17 -2.760 -12.428 -8.067 148 HZ1 LYS 17 3HZ LYS 17 -2.194 -11.315 -10.251 149 HZ2 LYS 17 1HZ LYS 17 -0.932 -11.431 -9.137 150 HZ3 LYS 17 2HZ LYS 17 -1.690 -9.977 -9.329 151 H ARG 18 H ARG 18 -7.142 -9.847 -7.115 152 HA ARG 18 HA ARG 18 -8.619 -8.213 -8.910 153 HE ARG 18 HE ARG 18 -8.635 -13.091 -5.531 154 HB2 ARG 18 1HB ARG 18 -10.537 -9.854 -8.502 155 HB3 ARG 18 2HB ARG 18 -9.070 -10.490 -9.212 156 HG2 ARG 18 1HG ARG 18 -9.559 -10.744 -6.261 157 HG3 ARG 18 2HG ARG 18 -10.328 -11.856 -7.388 158 HD2 ARG 18 1HD ARG 18 -8.018 -12.367 -8.300 159 HD3 ARG 18 2HD ARG 18 -7.343 -11.445 -6.965 160 HH11 ARG 18 1HH1 ARG 18 -7.312 -13.981 -8.702 161 HH12 ARG 18 2HH1 ARG 18 -6.954 -15.575 -8.251 162 HH21 ARG 18 1HH2 ARG 18 -8.126 -15.262 -4.921 163 HH22 ARG 18 2HH2 ARG 18 -7.437 -16.323 -6.046 164 H LEU 19 H LEU 19 -8.683 -8.691 -5.465 165 HA LEU 19 HA LEU 19 -10.960 -7.017 -5.191 166 HG LEU 19 HG LEU 19 -10.474 -9.874 -3.921 167 HB2 LEU 19 1HB LEU 19 -9.023 -8.080 -3.145 168 HB3 LEU 19 2HB LEU 19 -10.410 -7.085 -2.770 169 HD11 LEU 19 1HD1 LEU 19 -9.991 -9.709 -1.519 170 HD12 LEU 19 2HD1 LEU 19 -11.554 -10.456 -1.847 171 HD13 LEU 19 3HD1 LEU 19 -11.475 -8.781 -1.299 172 HD21 LEU 19 3HD2 LEU 19 -12.267 -8.595 -4.930 173 HD22 LEU 19 1HD2 LEU 19 -12.735 -7.963 -3.347 174 HD23 LEU 19 2HD2 LEU 19 -12.921 -9.672 -3.700 175 H LEU 20 H LEU 20 -7.551 -6.679 -5.363 176 HA LEU 20 HA LEU 20 -7.285 -4.044 -4.409 177 HG LEU 20 HG LEU 20 -5.314 -6.266 -4.119 178 HB2 LEU 20 1HB LEU 20 -5.746 -5.645 -6.448 179 HB3 LEU 20 2HB LEU 20 -5.317 -3.974 -6.091 180 HD11 LEU 20 1HD1 LEU 20 -3.470 -6.393 -5.797 181 HD12 LEU 20 2HD1 LEU 20 -2.897 -6.036 -4.174 182 HD13 LEU 20 3HD1 LEU 20 -3.027 -4.746 -5.363 183 HD21 LEU 20 3HD2 LEU 20 -5.856 -4.222 -3.037 184 HD22 LEU 20 1HD2 LEU 20 -4.576 -3.372 -3.899 185 HD23 LEU 20 2HD2 LEU 20 -4.148 -4.572 -2.705 186 H GLU 21 H GLU 21 -7.954 -5.367 -7.554 187 HA GLU 21 HA GLU 21 -8.416 -3.063 -8.979 188 HB2 GLU 21 1HB GLU 21 -9.518 -5.821 -9.109 189 HB3 GLU 21 2HB GLU 21 -10.098 -4.580 -10.202 190 HG2 GLU 21 1HG GLU 21 -7.214 -5.363 -9.894 191 HG3 GLU 21 2HG GLU 21 -8.300 -6.003 -11.131 192 H SER 22 H SER 22 -10.519 -4.712 -6.689 193 HA SER 22 HA SER 22 -12.809 -3.205 -7.298 194 HG SER 22 HG SER 22 -12.420 -5.579 -7.067 195 HB2 SER 22 1HB SER 22 -12.156 -4.544 -4.646 196 HB3 SER 22 2HB SER 22 -13.744 -4.084 -5.261 197 H TYR 23 H TYR 23 -10.273 -2.629 -4.752 198 HA TYR 23 HA TYR 23 -11.600 -0.062 -4.351 199 HD1 TYR 23 2HD TYR 23 -8.034 -1.458 -4.244 200 HD2 TYR 23 1HD TYR 23 -9.113 -0.185 -0.353 201 HE1 TYR 23 2HE TYR 23 -5.691 -1.663 -3.523 202 HE2 TYR 23 1HE TYR 23 -6.832 -0.343 0.410 203 HH TYR 23 HH TYR 23 -4.231 -0.757 -1.799 204 HB2 TYR 23 1HB TYR 23 -10.441 0.370 -2.368 205 HB3 TYR 23 2HB TYR 23 -10.829 -1.281 -2.108 206 H MET 24 H MET 24 -9.817 -0.984 -6.594 207 HA MET 24 HA MET 24 -7.726 0.803 -6.743 208 HB2 MET 24 1HB MET 24 -9.162 -0.731 -8.804 209 HB3 MET 24 2HB MET 24 -8.246 0.685 -9.325 210 HG2 MET 24 1HG MET 24 -7.152 -1.613 -7.734 211 HG3 MET 24 2HG MET 24 -6.884 -1.320 -9.456 212 HE1 MET 24 3HE MET 24 -4.500 -1.728 -7.382 213 HE2 MET 24 1HE MET 24 -4.271 -1.433 -9.103 214 HE3 MET 24 2HE MET 24 -3.398 -0.462 -7.917 215 H ASP 25 H ASP 25 -11.007 1.559 -6.974 216 HA ASP 25 HA ASP 25 -10.816 3.995 -8.415 217 HB2 ASP 25 1HB ASP 25 -12.963 3.174 -7.974 218 HB3 ASP 25 2HB ASP 25 -12.671 3.104 -6.244 219 H CYS 26 H CYS 26 -10.431 3.251 -5.026 220 HA CYS 26 HA CYS 26 -9.955 5.984 -4.504 221 HB2 CYS 26 1HB CYS 26 -9.371 4.903 -2.151 222 HB3 CYS 26 2HB CYS 26 -11.031 5.169 -2.695 223 H VAL 27 H VAL 27 -7.954 3.212 -5.088 224 HA VAL 27 HA VAL 27 -5.607 4.655 -4.247 225 HB VAL 27 HB VAL 27 -5.865 2.020 -5.719 226 HG11 VAL 27 1HG1 VAL 27 -3.751 3.076 -6.234 227 HG12 VAL 27 2HG1 VAL 27 -3.410 3.313 -4.516 228 HG13 VAL 27 3HG1 VAL 27 -3.497 1.678 -5.191 229 HG21 VAL 27 3HG2 VAL 27 -5.239 1.046 -3.559 230 HG22 VAL 27 1HG2 VAL 27 -6.735 1.973 -3.448 231 HG23 VAL 27 2HG2 VAL 27 -5.229 2.659 -2.841 232 H LEU 28 H LEU 28 -6.799 3.512 -7.417 233 HA LEU 28 HA LEU 28 -4.972 5.392 -8.724 234 HG LEU 28 HG LEU 28 -4.020 2.464 -10.756 235 HB2 LEU 28 1HB LEU 28 -6.041 2.761 -9.435 236 HB3 LEU 28 2HB LEU 28 -5.972 3.907 -10.743 237 HD11 LEU 28 1HD1 LEU 28 -3.288 5.246 -9.901 238 HD12 LEU 28 2HD1 LEU 28 -3.747 4.735 -11.523 239 HD13 LEU 28 3HD1 LEU 28 -2.259 4.119 -10.792 240 HD21 LEU 28 3HD2 LEU 28 -3.331 3.612 -8.079 241 HD22 LEU 28 1HD2 LEU 28 -2.400 2.435 -9.001 242 HD23 LEU 28 2HD2 LEU 28 -3.977 1.979 -8.330 243 H GLY 29 H GLY 29 -8.339 4.612 -8.457 244 HA2 GLY 29 1HA GLY 29 -10.027 6.295 -8.895 245 HA3 GLY 29 2HA GLY 29 -9.001 6.921 -10.183 246 H LYS 30 H LYS 30 -9.627 3.524 -9.625 247 HA LYS 30 HA LYS 30 -10.607 3.361 -12.367 248 HB2 LYS 30 1HB LYS 30 -9.703 1.127 -10.572 249 HB3 LYS 30 2HB LYS 30 -10.072 1.012 -12.287 250 HG2 LYS 30 1HG LYS 30 -8.203 2.533 -12.797 251 HG3 LYS 30 2HG LYS 30 -7.888 2.645 -11.059 252 HD2 LYS 30 1HD LYS 30 -6.322 1.100 -12.162 253 HD3 LYS 30 2HD LYS 30 -7.314 0.263 -10.984 254 HE2 LYS 30 1HE LYS 30 -8.766 -0.530 -12.817 255 HE3 LYS 30 2HE LYS 30 -7.707 0.274 -13.976 256 HZ1 LYS 30 3HZ LYS 30 -5.877 -1.170 -13.119 257 HZ2 LYS 30 1HZ LYS 30 -7.138 -2.048 -13.812 258 HZ3 LYS 30 2HZ LYS 30 -7.012 -1.978 -12.163 259 H GLY 31 H GLY 31 -11.472 1.259 -9.563 260 HA2 GLY 31 1HA GLY 31 -14.058 0.701 -10.691 261 HA3 GLY 31 2HA GLY 31 -13.450 0.115 -9.158 262 H LYS 32 H LYS 32 -14.483 0.873 -7.337 263 HA LYS 32 HA LYS 32 -15.339 3.591 -7.229 264 HB2 LYS 32 1HB LYS 32 -17.707 3.040 -6.611 265 HB3 LYS 32 2HB LYS 32 -17.306 2.799 -8.302 266 HG2 LYS 32 1HG LYS 32 -17.165 0.401 -7.953 267 HG3 LYS 32 2HG LYS 32 -17.471 0.619 -6.228 268 HD2 LYS 32 1HD LYS 32 -19.661 1.466 -6.653 269 HD3 LYS 32 2HD LYS 32 -19.357 1.513 -8.390 270 HE2 LYS 32 1HE LYS 32 -19.412 -0.978 -6.698 271 HE3 LYS 32 2HE LYS 32 -20.749 -0.415 -7.699 272 HZ1 LYS 32 3HZ LYS 32 -19.536 -2.077 -8.869 273 HZ2 LYS 32 1HZ LYS 32 -18.071 -1.288 -8.618 274 HZ3 LYS 32 2HZ LYS 32 -19.208 -0.601 -9.629 275 H CYS 33 H CYS 33 -14.686 4.261 -5.338 276 HA CYS 33 HA CYS 33 -15.188 2.621 -2.948 277 HB2 CYS 33 1HB CYS 33 -13.014 4.685 -3.419 278 HB3 CYS 33 2HB CYS 33 -13.262 3.767 -1.942 279 H THR 34 H THR 34 -15.614 4.116 -0.993 280 HA THR 34 HA THR 34 -17.263 6.303 -1.786 281 HB THR 34 HB THR 34 -17.579 6.360 0.754 282 HG1 THR 34 1HG THR 34 -16.841 4.152 1.593 283 HG21 THR 34 3HG2 THR 34 -19.147 5.204 -0.766 284 HG22 THR 34 1HG2 THR 34 -18.963 4.323 0.750 285 HG23 THR 34 2HG2 THR 34 -18.136 3.761 -0.700 286 HA PRO 35 HA PRO 35 -14.475 9.736 -0.973 287 HB2 PRO 35 1HB PRO 35 -16.052 10.481 1.435 288 HB3 PRO 35 2HB PRO 35 -15.603 11.470 0.041 289 HG2 PRO 35 1HG PRO 35 -18.084 10.568 0.354 290 HG3 PRO 35 2HG PRO 35 -17.347 10.645 -1.254 291 HD2 PRO 35 1HD PRO 35 -17.861 8.316 0.496 292 HD3 PRO 35 2HD PRO 35 -17.883 8.440 -1.277 293 H GLU 36 H GLU 36 -15.632 8.230 1.979 294 HA GLU 36 HA GLU 36 -13.518 8.835 3.695 295 HB2 GLU 36 1HB GLU 36 -15.814 7.877 4.250 296 HB3 GLU 36 2HB GLU 36 -15.191 6.327 3.735 297 HG2 GLU 36 1HG GLU 36 -15.112 6.515 6.152 298 HG3 GLU 36 2HG GLU 36 -13.488 6.392 5.475 299 H GLY 37 H GLY 37 -14.154 6.076 1.584 300 HA2 GLY 37 1HA GLY 37 -11.919 4.541 2.254 301 HA3 GLY 37 2HA GLY 37 -12.861 4.411 0.776 302 H LYS 38 H LYS 38 -12.470 6.912 -0.290 303 HA LYS 38 HA LYS 38 -10.134 6.629 -1.740 304 HB2 LYS 38 1HB LYS 38 -11.888 9.011 -1.256 305 HB3 LYS 38 2HB LYS 38 -10.466 9.105 -2.277 306 HG2 LYS 38 1HG LYS 38 -11.413 7.296 -3.656 307 HG3 LYS 38 2HG LYS 38 -12.886 7.363 -2.696 308 HD2 LYS 38 1HD LYS 38 -13.343 9.608 -3.336 309 HD3 LYS 38 2HD LYS 38 -11.755 9.804 -4.070 310 HE2 LYS 38 1HE LYS 38 -13.515 9.598 -5.765 311 HE3 LYS 38 2HE LYS 38 -12.388 8.255 -5.855 312 HZ1 LYS 38 3HZ LYS 38 -13.924 6.790 -5.120 313 HZ2 LYS 38 1HZ LYS 38 -14.860 7.796 -6.033 314 HZ3 LYS 38 2HZ LYS 38 -14.939 7.934 -4.352 315 H GLU 39 H GLU 39 -10.666 8.702 1.011 316 HA GLU 39 HA GLU 39 -8.059 9.866 0.651 317 HB2 GLU 39 1HB GLU 39 -10.104 10.328 2.805 318 HB3 GLU 39 2HB GLU 39 -8.699 11.342 2.470 319 HG2 GLU 39 1HG GLU 39 -9.590 11.835 0.246 320 HG3 GLU 39 2HG GLU 39 -10.986 10.819 0.592 321 H LEU 40 H LEU 40 -9.549 7.502 2.720 322 HA LEU 40 HA LEU 40 -7.460 7.561 4.645 323 HG LEU 40 HG LEU 40 -9.764 4.805 3.231 324 HB2 LEU 40 1HB LEU 40 -8.590 5.890 5.795 325 HB3 LEU 40 2HB LEU 40 -9.859 6.731 4.988 326 HD11 LEU 40 1HD1 LEU 40 -8.429 3.385 5.558 327 HD12 LEU 40 2HD1 LEU 40 -7.706 3.707 3.984 328 HD13 LEU 40 3HD1 LEU 40 -9.053 2.613 4.101 329 HD21 LEU 40 3HD2 LEU 40 -10.806 4.359 6.022 330 HD22 LEU 40 1HD2 LEU 40 -11.297 3.463 4.584 331 HD23 LEU 40 2HD2 LEU 40 -11.639 5.188 4.702 332 H LYS 41 H LYS 41 -8.152 5.602 1.810 333 HA LYS 41 HA LYS 41 -5.934 3.863 2.252 334 HB2 LYS 41 1HB LYS 41 -7.760 4.286 -0.106 335 HB3 LYS 41 2HB LYS 41 -6.477 3.079 -0.064 336 HG2 LYS 41 1HG LYS 41 -7.541 1.762 1.404 337 HG3 LYS 41 2HG LYS 41 -8.473 3.009 2.179 338 HD2 LYS 41 1HD LYS 41 -9.768 3.211 0.068 339 HD3 LYS 41 2HD LYS 41 -8.884 1.814 -0.536 340 HE2 LYS 41 1HE LYS 41 -10.948 1.013 0.344 341 HE3 LYS 41 2HE LYS 41 -9.697 0.578 1.506 342 HZ1 LYS 41 3HZ LYS 41 -10.365 2.662 2.732 343 HZ2 LYS 41 1HZ LYS 41 -11.492 1.395 2.709 344 HZ3 LYS 41 2HZ LYS 41 -11.714 2.702 1.691 345 H ASP 42 H ASP 42 -6.485 6.832 0.569 346 HA ASP 42 HA ASP 42 -4.209 6.900 -1.035 347 HB2 ASP 42 1HB ASP 42 -5.868 8.610 -1.305 348 HB3 ASP 42 2HB ASP 42 -5.705 9.116 0.370 349 H HIS 43 H HIS 43 -4.635 8.039 2.310 350 HA HIS 43 HA HIS 43 -1.807 8.518 2.511 351 HD1 HIS 43 1HD HIS 43 -0.841 10.764 3.490 352 HD2 HIS 43 2HD HIS 43 -4.975 11.234 3.558 353 HE1 HIS 43 1HE HIS 43 -1.258 13.136 2.824 354 HE2 HIS 43 2HE HIS 43 -3.727 13.469 3.089 355 HB2 HIS 43 1HB HIS 43 -4.024 8.871 4.448 356 HB3 HIS 43 2HB HIS 43 -2.350 8.961 4.997 357 H LEU 44 H LEU 44 -3.844 5.871 3.447 358 HA LEU 44 HA LEU 44 -1.922 4.789 5.264 359 HG LEU 44 HG LEU 44 -2.749 2.629 6.377 360 HB2 LEU 44 1HB LEU 44 -4.386 4.442 5.416 361 HB3 LEU 44 2HB LEU 44 -4.315 3.479 3.964 362 HD11 LEU 44 1HD1 LEU 44 -4.732 1.336 7.083 363 HD12 LEU 44 2HD1 LEU 44 -5.691 2.172 5.854 364 HD13 LEU 44 3HD1 LEU 44 -4.998 3.075 7.198 365 HD21 LEU 44 3HD2 LEU 44 -3.217 0.412 5.449 366 HD22 LEU 44 1HD2 LEU 44 -2.418 1.445 4.265 367 HD23 LEU 44 2HD2 LEU 44 -4.149 1.152 4.145 368 H GLN 45 H GLN 45 -2.937 3.899 1.954 369 HA GLN 45 HA GLN 45 -0.816 2.094 1.647 370 HB2 GLN 45 1HB GLN 45 -2.801 3.322 -0.219 371 HB3 GLN 45 2HB GLN 45 -1.357 2.613 -0.928 372 HG2 GLN 45 1HG GLN 45 -3.268 1.045 -0.914 373 HG3 GLN 45 2HG GLN 45 -1.905 0.442 0.006 374 HE21 GLN 45 1HE2 GLN 45 -3.258 -1.029 1.105 375 HE22 GLN 45 2HE2 GLN 45 -4.274 -0.539 2.388 376 H GLU 46 H GLU 46 -1.016 5.532 1.344 377 HA GLU 46 HA GLU 46 1.472 6.044 0.145 378 HB2 GLU 46 1HB GLU 46 -0.091 7.807 0.591 379 HB3 GLU 46 2HB GLU 46 -0.030 7.498 2.320 380 HG2 GLU 46 1HG GLU 46 2.376 8.153 2.220 381 HG3 GLU 46 2HG GLU 46 2.100 8.697 0.574 382 H ALA 47 H ALA 47 0.559 5.508 3.559 383 HA ALA 47 HA ALA 47 3.028 5.860 4.806 384 HB1 ALA 47 3HB ALA 47 0.904 3.908 5.626 385 HB2 ALA 47 1HB ALA 47 2.192 4.543 6.632 386 HB3 ALA 47 2HB ALA 47 0.907 5.634 6.055 387 H LEU 48 H LEU 48 1.782 3.204 3.065 388 HA LEU 48 HA LEU 48 3.428 1.110 3.742 389 HG LEU 48 HG LEU 48 2.971 -0.909 2.091 390 HB2 LEU 48 1HB LEU 48 1.537 1.174 2.079 391 HB3 LEU 48 2HB LEU 48 2.636 1.871 0.929 392 HD11 LEU 48 1HD1 LEU 48 0.859 -0.644 0.868 393 HD12 LEU 48 2HD1 LEU 48 1.989 -1.714 0.051 394 HD13 LEU 48 3HD1 LEU 48 1.760 -0.062 -0.529 395 HD21 LEU 48 3HD2 LEU 48 4.411 -1.286 0.158 396 HD22 LEU 48 1HD2 LEU 48 5.030 0.063 1.110 397 HD23 LEU 48 2HD2 LEU 48 4.152 0.370 -0.391 398 H GLU 49 H GLU 49 4.294 3.955 1.722 399 HA GLU 49 HA GLU 49 7.078 3.476 2.262 400 HB2 GLU 49 1HB GLU 49 6.301 1.932 0.239 401 HB3 GLU 49 2HB GLU 49 6.504 3.418 -0.671 402 HG2 GLU 49 1HG GLU 49 8.598 2.166 1.043 403 HG3 GLU 49 2HG GLU 49 8.491 1.894 -0.703 404 H THR 50 H THR 50 4.920 5.016 -0.088 405 HA THR 50 HA THR 50 6.517 7.157 -0.793 406 HB THR 50 HB THR 50 3.501 7.040 -0.839 407 HG1 THR 50 1HG THR 50 5.238 6.014 -2.854 408 HG21 THR 50 3HG2 THR 50 4.536 9.158 -1.599 409 HG22 THR 50 1HG2 THR 50 3.766 8.294 -2.930 410 HG23 THR 50 2HG2 THR 50 5.518 8.257 -2.757 411 H GLY 51 H GLY 51 4.733 6.703 2.059 412 HA2 GLY 51 1HA GLY 51 4.896 9.593 2.699 413 HA3 GLY 51 2HA GLY 51 3.703 8.526 3.423 414 H CYS 52 H CYS 52 4.177 7.384 5.169 415 HA CYS 52 HA CYS 52 6.871 6.879 5.824 416 HB2 CYS 52 1HB CYS 52 6.913 8.091 7.978 417 HB3 CYS 52 2HB CYS 52 6.833 9.150 6.578 418 H GLU 53 H GLU 53 6.961 5.001 6.614 419 HA GLU 53 HA GLU 53 4.689 3.653 7.770 420 HB2 GLU 53 1HB GLU 53 7.372 2.405 7.901 421 HB3 GLU 53 2HB GLU 53 5.869 1.729 7.312 422 HG2 GLU 53 1HG GLU 53 7.222 1.706 5.434 423 HG3 GLU 53 2HG GLU 53 6.310 3.194 5.213 424 H LYS 54 H LYS 54 7.710 5.012 8.497 425 HA LYS 54 HA LYS 54 7.948 4.160 11.217 426 HB2 LYS 54 1HB LYS 54 9.947 5.723 11.201 427 HB3 LYS 54 2HB LYS 54 9.962 4.415 10.034 428 HG2 LYS 54 1HG LYS 54 10.780 6.263 8.850 429 HG3 LYS 54 2HG LYS 54 9.118 6.127 8.317 430 HD2 LYS 54 1HD LYS 54 9.512 8.433 8.670 431 HD3 LYS 54 2HD LYS 54 8.575 7.902 10.064 432 HE2 LYS 54 1HE LYS 54 10.400 9.351 10.761 433 HE3 LYS 54 2HE LYS 54 10.639 7.713 11.365 434 HZ1 LYS 54 3HZ LYS 54 12.010 8.928 9.009 435 HZ2 LYS 54 1HZ LYS 54 12.218 7.334 9.514 436 HZ3 LYS 54 2HZ LYS 54 12.713 8.593 10.489 437 H CYS 55 H CYS 55 5.619 5.932 10.405 438 HA CYS 55 HA CYS 55 6.114 8.188 12.151 439 HB2 CYS 55 1HB CYS 55 4.017 7.667 10.106 440 HB3 CYS 55 2HB CYS 55 3.724 8.885 11.336 441 H THR 56 H THR 56 2.769 7.749 12.302 442 HA THR 56 HA THR 56 3.039 7.228 15.115 443 HB THR 56 HB THR 56 0.577 7.952 14.909 444 HG1 THR 56 1HG THR 56 0.184 9.104 12.975 445 HG21 THR 56 3HG2 THR 56 2.380 9.401 15.789 446 HG22 THR 56 1HG2 THR 56 1.241 10.326 14.813 447 HG23 THR 56 2HG2 THR 56 2.803 9.864 14.141 448 H GLU 57 H GLU 57 1.072 6.025 16.030 449 HA GLU 57 HA GLU 57 1.246 3.353 15.508 450 HB2 GLU 57 1HB GLU 57 0.358 4.243 17.559 451 HB3 GLU 57 2HB GLU 57 -1.030 4.891 16.703 452 HG2 GLU 57 1HG GLU 57 -1.765 2.628 16.179 453 HG3 GLU 57 2HG GLU 57 -0.372 1.983 17.049 454 H ALA 58 H ALA 58 -1.409 5.460 14.410 455 HA ALA 58 HA ALA 58 -2.800 3.359 13.132 456 HB1 ALA 58 3HB ALA 58 -3.891 5.476 13.808 457 HB2 ALA 58 1HB ALA 58 -3.011 6.300 12.518 458 HB3 ALA 58 2HB ALA 58 -4.192 5.063 12.117 459 H GLN 59 H GLN 59 -0.387 5.620 12.036 460 HA GLN 59 HA GLN 59 -0.664 4.861 9.304 461 HB2 GLN 59 1HB GLN 59 1.564 6.368 10.657 462 HB3 GLN 59 2HB GLN 59 1.429 6.105 8.924 463 HG2 GLN 59 1HG GLN 59 -0.742 7.321 8.982 464 HG3 GLN 59 2HG GLN 59 -0.427 7.690 10.679 465 HE21 GLN 59 1HE2 GLN 59 2.047 7.582 8.189 466 HE22 GLN 59 2HE2 GLN 59 2.392 9.253 8.196 467 H GLU 60 H GLU 60 1.669 4.078 11.879 468 HA GLU 60 HA GLU 60 3.231 2.504 10.213 469 HB2 GLU 60 1HB GLU 60 4.255 1.510 12.219 470 HB3 GLU 60 2HB GLU 60 4.161 3.254 12.308 471 HG2 GLU 60 1HG GLU 60 2.522 3.202 13.921 472 HG3 GLU 60 2HG GLU 60 2.093 1.521 13.632 473 H LYS 61 H LYS 61 0.453 1.618 12.218 474 HA LYS 61 HA LYS 61 0.718 -1.155 11.696 475 HB2 LYS 61 1HB LYS 61 -1.709 0.390 12.627 476 HB3 LYS 61 2HB LYS 61 -1.625 -1.363 12.532 477 HG2 LYS 61 1HG LYS 61 0.041 0.425 14.300 478 HG3 LYS 61 2HG LYS 61 -1.262 -0.652 14.805 479 HD2 LYS 61 1HD LYS 61 0.050 -2.589 14.029 480 HD3 LYS 61 2HD LYS 61 1.356 -1.502 13.555 481 HE2 LYS 61 1HE LYS 61 1.876 -2.488 15.682 482 HE3 LYS 61 2HE LYS 61 1.556 -0.767 15.892 483 HZ1 LYS 61 3HZ LYS 61 -0.695 -1.350 16.646 484 HZ2 LYS 61 1HZ LYS 61 0.499 -2.057 17.609 485 HZ3 LYS 61 2HZ LYS 61 -0.326 -2.984 16.479 486 H GLY 62 H GLY 62 -1.067 1.438 10.146 487 HA2 GLY 62 1HA GLY 62 -2.380 -0.225 8.254 488 HA3 GLY 62 2HA GLY 62 -2.109 1.536 8.120 489 H ALA 63 H ALA 63 0.715 1.341 8.399 490 HA ALA 63 HA ALA 63 1.457 0.894 5.738 491 HB1 ALA 63 3HB ALA 63 2.582 2.515 7.187 492 HB2 ALA 63 1HB ALA 63 3.218 1.188 8.158 493 HB3 ALA 63 2HB ALA 63 3.714 1.364 6.476 494 H GLU 64 H GLU 64 1.984 -0.991 8.738 495 HA GLU 64 HA GLU 64 3.767 -2.728 7.388 496 HB2 GLU 64 1HB GLU 64 3.793 -4.127 9.385 497 HB3 GLU 64 2HB GLU 64 4.023 -2.440 9.791 498 HG2 GLU 64 1HG GLU 64 1.842 -2.272 10.641 499 HG3 GLU 64 2HG GLU 64 1.397 -3.867 10.032 500 H THR 65 H THR 65 0.379 -2.819 8.089 501 HA THR 65 HA THR 65 -0.116 -5.458 7.263 502 HB THR 65 HB THR 65 -2.369 -4.333 6.611 503 HG1 THR 65 1HG THR 65 -1.566 -2.323 8.363 504 HG21 THR 65 3HG2 THR 65 -2.168 -5.729 8.574 505 HG22 THR 65 1HG2 THR 65 -3.127 -4.293 8.925 506 HG23 THR 65 2HG2 THR 65 -1.449 -4.386 9.486 507 H SER 66 H SER 66 -0.178 -2.390 5.521 508 HA SER 66 HA SER 66 -0.875 -3.529 3.070 509 HG SER 66 HG SER 66 -1.424 -0.749 4.652 510 HB2 SER 66 1HB SER 66 0.431 -0.862 3.604 511 HB3 SER 66 2HB SER 66 -0.425 -1.352 2.134 512 H ILE 67 H ILE 67 2.260 -2.670 4.415 513 HA ILE 67 HA ILE 67 3.803 -3.227 2.125 514 HB ILE 67 HB ILE 67 4.591 -3.397 5.070 515 HG12 ILE 67 1HG1 ILE 67 5.114 -1.155 3.110 516 HG13 ILE 67 2HG1 ILE 67 3.710 -1.190 4.167 517 HG21 ILE 67 1HG2 ILE 67 6.353 -3.197 2.614 518 HG22 ILE 67 2HG2 ILE 67 6.166 -4.622 3.632 519 HG23 ILE 67 3HG2 ILE 67 6.903 -3.160 4.291 520 HD11 ILE 67 3HD1 ILE 67 6.610 -1.007 4.985 521 HD12 ILE 67 1HD1 ILE 67 5.243 -1.197 6.109 522 HD13 ILE 67 2HD1 ILE 67 5.338 0.236 5.101 523 H ASP 68 H ASP 68 2.721 -5.236 4.822 524 HA ASP 68 HA ASP 68 4.206 -7.542 4.342 525 HB2 ASP 68 1HB ASP 68 2.995 -7.132 6.408 526 HB3 ASP 68 2HB ASP 68 1.464 -7.191 5.558 527 H TYR 69 H TYR 69 0.781 -6.925 3.360 528 HA TYR 69 HA TYR 69 1.017 -9.349 1.902 529 HD1 TYR 69 1HD TYR 69 -1.303 -9.751 -0.426 530 HD2 TYR 69 2HD TYR 69 -1.533 -10.584 3.734 531 HE1 TYR 69 1HE TYR 69 -1.873 -12.096 -0.932 532 HE2 TYR 69 2HE TYR 69 -2.106 -12.911 3.245 533 HH TYR 69 HH TYR 69 -1.676 -14.323 0.235 534 HB2 TYR 69 1HB TYR 69 -1.272 -8.388 3.042 535 HB3 TYR 69 2HB TYR 69 -1.512 -7.928 1.356 536 H LEU 70 H LEU 70 1.193 -5.986 0.991 537 HA LEU 70 HA LEU 70 0.831 -6.459 -1.776 538 HG LEU 70 HG LEU 70 2.545 -4.640 -2.978 539 HB2 LEU 70 1HB LEU 70 0.807 -4.198 -0.616 540 HB3 LEU 70 2HB LEU 70 2.553 -4.324 -0.557 541 HD11 LEU 70 1HD1 LEU 70 0.177 -5.276 -3.254 542 HD12 LEU 70 2HD1 LEU 70 0.613 -3.945 -4.290 543 HD13 LEU 70 3HD1 LEU 70 -0.308 -3.634 -2.815 544 HD21 LEU 70 3HD2 LEU 70 2.313 -2.264 -3.516 545 HD22 LEU 70 1HD2 LEU 70 3.146 -2.505 -1.983 546 HD23 LEU 70 2HD2 LEU 70 1.451 -2.010 -1.999 547 H ILE 71 H ILE 71 3.784 -6.544 0.237 548 HA ILE 71 HA ILE 71 5.438 -6.975 -2.028 549 HB ILE 71 HB ILE 71 6.001 -7.763 0.863 550 HG12 ILE 71 1HG1 ILE 71 5.665 -5.336 0.606 551 HG13 ILE 71 2HG1 ILE 71 7.337 -5.712 0.994 552 HG21 ILE 71 1HG2 ILE 71 7.428 -8.999 -0.713 553 HG22 ILE 71 2HG2 ILE 71 8.368 -7.846 0.229 554 HG23 ILE 71 3HG2 ILE 71 7.940 -7.474 -1.439 555 HD11 ILE 71 3HD1 ILE 71 7.937 -5.404 -1.360 556 HD12 ILE 71 1HD1 ILE 71 7.199 -3.958 -0.661 557 HD13 ILE 71 2HD1 ILE 71 6.250 -5.006 -1.722 558 H LYS 72 H LYS 72 3.639 -9.168 0.069 559 HA LYS 72 HA LYS 72 4.838 -11.429 -1.278 560 HB2 LYS 72 1HB LYS 72 3.498 -12.855 0.169 561 HB3 LYS 72 2HB LYS 72 4.387 -11.649 1.091 562 HG2 LYS 72 1HG LYS 72 2.379 -10.293 1.137 563 HG3 LYS 72 2HG LYS 72 1.464 -11.608 0.397 564 HD2 LYS 72 1HD LYS 72 2.925 -11.702 3.044 565 HD3 LYS 72 2HD LYS 72 1.181 -11.572 2.845 566 HE2 LYS 72 1HE LYS 72 1.185 -13.764 1.711 567 HE3 LYS 72 2HE LYS 72 2.920 -13.892 2.010 568 HZ1 LYS 72 3HZ LYS 72 0.835 -13.672 4.115 569 HZ2 LYS 72 1HZ LYS 72 2.482 -13.837 4.388 570 HZ3 LYS 72 2HZ LYS 72 1.610 -15.091 3.675 571 H ASN 73 H ASN 73 2.303 -9.422 -2.203 572 HA ASN 73 HA ASN 73 1.358 -11.647 -3.914 573 HB2 ASN 73 1HB ASN 73 -0.439 -11.069 -2.287 574 HB3 ASN 73 2HB ASN 73 -0.456 -9.426 -2.909 575 HD21 ASN 73 1HD2 ASN 73 -2.734 -11.314 -2.851 576 HD22 ASN 73 2HD2 ASN 73 -3.161 -11.568 -4.482 577 H GLU 74 H GLU 74 1.371 -8.022 -3.809 578 HA GLU 74 HA GLU 74 1.717 -8.273 -6.679 579 HB2 GLU 74 1HB GLU 74 -0.706 -7.792 -5.947 580 HB3 GLU 74 2HB GLU 74 -0.124 -6.165 -5.617 581 HG2 GLU 74 1HG GLU 74 -1.105 -6.257 -7.820 582 HG3 GLU 74 2HG GLU 74 0.636 -5.984 -7.949 583 H LEU 75 H LEU 75 3.819 -7.883 -6.123 584 HA LEU 75 HA LEU 75 4.928 -5.623 -4.924 585 HG LEU 75 HG LEU 75 7.461 -5.297 -6.676 586 HB2 LEU 75 1HB LEU 75 6.139 -7.701 -5.430 587 HB3 LEU 75 2HB LEU 75 6.073 -7.321 -7.136 588 HD11 LEU 75 1HD1 LEU 75 7.714 -6.529 -3.942 589 HD12 LEU 75 2HD1 LEU 75 6.924 -5.002 -4.328 590 HD13 LEU 75 3HD1 LEU 75 8.664 -5.179 -4.560 591 HD21 LEU 75 3HD2 LEU 75 8.458 -7.357 -7.517 592 HD22 LEU 75 1HD2 LEU 75 8.638 -7.948 -5.864 593 HD23 LEU 75 2HD2 LEU 75 9.549 -6.534 -6.400 594 H GLU 76 H GLU 76 3.461 -5.933 -7.997 595 HA GLU 76 HA GLU 76 4.758 -3.993 -9.524 596 HB2 GLU 76 1HB GLU 76 1.868 -4.845 -9.602 597 HB3 GLU 76 2HB GLU 76 2.675 -3.904 -10.847 598 HG2 GLU 76 1HG GLU 76 3.393 -6.702 -10.005 599 HG3 GLU 76 2HG GLU 76 2.542 -6.240 -11.478 600 H ILE 77 H ILE 77 2.159 -3.626 -7.174 601 HA ILE 77 HA ILE 77 1.730 -0.867 -7.836 602 HB ILE 77 HB ILE 77 0.837 -2.365 -5.360 603 HG12 ILE 77 1HG1 ILE 77 -0.598 -1.881 -7.980 604 HG13 ILE 77 2HG1 ILE 77 0.062 -3.427 -7.425 605 HG21 ILE 77 1HG2 ILE 77 -0.884 -0.608 -5.187 606 HG22 ILE 77 2HG2 ILE 77 -0.188 0.209 -6.584 607 HG23 ILE 77 3HG2 ILE 77 0.739 0.077 -5.088 608 HD11 ILE 77 3HD1 ILE 77 -1.501 -3.382 -5.555 609 HD12 ILE 77 1HD1 ILE 77 -2.322 -3.341 -7.126 610 HD13 ILE 77 2HD1 ILE 77 -2.155 -1.860 -6.176 611 H TRP 78 H TRP 78 3.622 -2.654 -5.526 612 HA TRP 78 HA TRP 78 4.501 -0.534 -3.900 613 HD1 TRP 78 HD TRP 78 6.084 -1.496 -1.273 614 HE1 TRP 78 1HE TRP 78 8.533 -0.971 -0.724 615 HE3 TRP 78 3HE TRP 78 8.185 -2.552 -5.811 616 HZ2 TRP 78 2HZ TRP 78 11.027 -0.994 -2.041 617 HZ3 TRP 78 3HZ TRP 78 10.609 -2.266 -6.089 618 HH2 TRP 78 HH TRP 78 12.001 -1.504 -4.240 619 HB2 TRP 78 1HB TRP 78 4.967 -2.869 -3.297 620 HB3 TRP 78 2HB TRP 78 5.923 -3.075 -4.757 621 H LYS 79 H LYS 79 5.613 -1.860 -6.926 622 HA LYS 79 HA LYS 79 7.823 -0.213 -7.324 623 HB2 LYS 79 1HB LYS 79 6.042 -1.663 -9.266 624 HB3 LYS 79 2HB LYS 79 7.481 -0.784 -9.768 625 HG2 LYS 79 1HG LYS 79 8.868 -2.214 -8.380 626 HG3 LYS 79 2HG LYS 79 7.433 -3.056 -7.798 627 HD2 LYS 79 1HD LYS 79 7.001 -3.980 -9.932 628 HD3 LYS 79 2HD LYS 79 8.183 -2.933 -10.712 629 HE2 LYS 79 1HE LYS 79 8.789 -5.093 -8.695 630 HE3 LYS 79 2HE LYS 79 9.035 -5.219 -10.433 631 HZ1 LYS 79 3HZ LYS 79 10.501 -3.433 -8.546 632 HZ2 LYS 79 1HZ LYS 79 10.577 -3.289 -10.235 633 HZ3 LYS 79 2HZ LYS 79 11.098 -4.673 -9.492 634 H GLU 80 H GLU 80 4.412 0.315 -8.028 635 HA GLU 80 HA GLU 80 4.818 2.727 -9.493 636 HB2 GLU 80 1HB GLU 80 2.373 1.952 -7.918 637 HB3 GLU 80 2HB GLU 80 2.457 3.115 -9.231 638 HG2 GLU 80 1HG GLU 80 3.126 1.207 -10.720 639 HG3 GLU 80 2HG GLU 80 2.718 0.140 -9.369 640 H LEU 81 H LEU 81 4.086 1.999 -6.127 641 HA LEU 81 HA LEU 81 3.822 4.645 -5.208 642 HG LEU 81 HG LEU 81 2.422 1.904 -4.605 643 HB2 LEU 81 1HB LEU 81 4.701 2.177 -3.709 644 HB3 LEU 81 2HB LEU 81 4.224 3.682 -2.960 645 HD11 LEU 81 1HD1 LEU 81 1.316 1.430 -2.487 646 HD12 LEU 81 2HD1 LEU 81 2.539 2.388 -1.637 647 HD13 LEU 81 3HD1 LEU 81 3.003 0.905 -2.475 648 HD21 LEU 81 3HD2 LEU 81 0.618 3.367 -3.797 649 HD22 LEU 81 1HD2 LEU 81 1.777 4.255 -4.786 650 HD23 LEU 81 2HD2 LEU 81 1.812 4.412 -3.032 651 H THR 82 H THR 82 6.623 2.487 -5.304 652 HA THR 82 HA THR 82 8.372 4.372 -4.162 653 HB THR 82 HB THR 82 10.179 2.852 -5.109 654 HG1 THR 82 1HG THR 82 8.072 1.053 -5.584 655 HG21 THR 82 3HG2 THR 82 8.005 1.627 -3.421 656 HG22 THR 82 1HG2 THR 82 9.321 2.653 -2.838 657 HG23 THR 82 2HG2 THR 82 9.675 1.058 -3.521 658 H ALA 83 H ALA 83 7.347 3.734 -7.423 659 HA ALA 83 HA ALA 83 9.309 5.299 -8.736 660 HB1 ALA 83 3HB ALA 83 7.818 5.255 -10.651 661 HB2 ALA 83 1HB ALA 83 7.875 3.660 -9.889 662 HB3 ALA 83 2HB ALA 83 6.490 4.714 -9.623 663 H HIS 84 H HIS 84 6.439 6.060 -7.015 664 HA HIS 84 HA HIS 84 6.401 8.784 -8.010 665 HD1 HIS 84 1HD HIS 84 3.315 9.486 -8.736 666 HD2 HIS 84 2HD HIS 84 4.239 10.202 -4.748 667 HE1 HIS 84 1HE HIS 84 2.229 11.658 -8.180 668 HE2 HIS 84 2HE HIS 84 2.735 12.060 -5.766 669 HB2 HIS 84 1HB HIS 84 4.294 7.434 -7.518 670 HB3 HIS 84 2HB HIS 84 4.682 7.599 -5.813 671 H PHE 85 H PHE 85 7.794 6.974 -5.466 672 HA PHE 85 HA PHE 85 8.252 9.416 -3.941 673 HD1 PHE 85 1HD PHE 85 7.620 9.776 -1.549 674 HD2 PHE 85 2HD PHE 85 10.485 6.642 -1.448 675 HE1 PHE 85 1HE PHE 85 8.587 10.730 0.491 676 HE2 PHE 85 2HE PHE 85 11.458 7.592 0.597 677 HZ PHE 85 HZ PHE 85 10.507 9.639 1.574 678 HB2 PHE 85 1HB PHE 85 7.322 7.434 -2.723 679 HB3 PHE 85 2HB PHE 85 8.823 6.586 -3.050 680 H ASP 86 H ASP 86 10.333 6.532 -4.272 681 HA ASP 86 HA ASP 86 12.439 8.237 -5.287 682 HB2 ASP 86 1HB ASP 86 12.909 8.482 -2.986 683 HB3 ASP 86 2HB ASP 86 12.620 6.783 -2.651 684 HA PRO 87 HA PRO 87 12.793 4.195 -7.321 685 HB2 PRO 87 1HB PRO 87 12.843 5.152 -9.850 686 HB3 PRO 87 2HB PRO 87 11.344 4.767 -9.003 687 HG2 PRO 87 1HG PRO 87 12.587 7.408 -9.554 688 HG3 PRO 87 2HG PRO 87 10.876 6.975 -9.444 689 HD2 PRO 87 1HD PRO 87 12.388 8.227 -7.464 690 HD3 PRO 87 2HD PRO 87 10.824 7.431 -7.215 691 H ASP 88 H ASP 88 14.504 7.224 -7.548 692 HA ASP 88 HA ASP 88 16.661 6.049 -9.138 693 HB2 ASP 88 1HB ASP 88 16.250 8.910 -8.285 694 HB3 ASP 88 2HB ASP 88 17.509 8.333 -9.362 695 H GLY 89 H GLY 89 16.098 6.998 -5.811 696 HA2 GLY 89 1HA GLY 89 18.944 7.296 -5.359 697 HA3 GLY 89 2HA GLY 89 17.649 7.589 -4.209 698 H LYS 90 H LYS 90 16.723 5.842 -3.111 699 HA LYS 90 HA LYS 90 18.654 3.756 -2.637 700 HB2 LYS 90 1HB LYS 90 15.932 4.239 -1.384 701 HB3 LYS 90 2HB LYS 90 17.061 2.995 -0.886 702 HG2 LYS 90 1HG LYS 90 17.493 5.971 -0.720 703 HG3 LYS 90 2HG LYS 90 17.100 4.896 0.619 704 HD2 LYS 90 1HD LYS 90 19.219 3.655 0.147 705 HD3 LYS 90 2HD LYS 90 19.614 4.893 -1.045 706 HE2 LYS 90 1HE LYS 90 19.475 6.612 0.722 707 HE3 LYS 90 2HE LYS 90 19.154 5.342 1.896 708 HZ1 LYS 90 3HZ LYS 90 21.632 5.701 0.315 709 HZ2 LYS 90 1HZ LYS 90 21.332 4.375 1.316 710 HZ3 LYS 90 2HZ LYS 90 21.451 5.922 1.965 711 H TRP 91 H TRP 91 15.190 3.684 -3.119 712 HA TRP 91 HA TRP 91 13.710 2.205 -3.919 713 HD1 TRP 91 HD TRP 91 11.999 2.575 -6.078 714 HE1 TRP 91 1HE TRP 91 10.745 0.834 -7.474 715 HE3 TRP 91 3HE TRP 91 15.908 -0.522 -7.175 716 HZ2 TRP 91 2HZ TRP 91 11.339 -1.560 -8.854 717 HZ3 TRP 91 3HZ TRP 91 15.480 -2.516 -8.546 718 HH2 TRP 91 HH TRP 91 13.245 -3.018 -9.370 719 HB2 TRP 91 1HB TRP 91 14.732 3.106 -6.034 720 HB3 TRP 91 2HB TRP 91 15.751 1.670 -6.083 721 H ARG 92 H ARG 92 16.768 0.656 -4.402 722 HA ARG 92 HA ARG 92 16.031 -2.040 -4.247 723 HE ARG 92 HE ARG 92 19.051 1.132 -5.136 724 HB2 ARG 92 1HB ARG 92 18.636 -0.644 -3.652 725 HB3 ARG 92 2HB ARG 92 18.448 -2.374 -3.911 726 HG2 ARG 92 1HG ARG 92 18.030 -2.130 -6.160 727 HG3 ARG 92 2HG ARG 92 17.500 -0.456 -5.969 728 HD2 ARG 92 1HD ARG 92 20.337 -1.325 -5.499 729 HD3 ARG 92 2HD ARG 92 19.740 -0.781 -7.068 730 HH11 ARG 92 1HH1 ARG 92 22.004 -0.137 -6.626 731 HH12 ARG 92 2HH1 ARG 92 22.806 1.366 -6.641 732 HH21 ARG 92 1HH2 ARG 92 20.171 3.217 -5.159 733 HH22 ARG 92 2HH2 ARG 92 21.759 3.280 -5.766 734 H LYS 93 H LYS 93 17.470 0.107 -1.781 735 HA LYS 93 HA LYS 93 17.508 -1.657 0.365 736 HB2 LYS 93 1HB LYS 93 18.632 0.510 0.504 737 HB3 LYS 93 2HB LYS 93 17.083 1.340 0.425 738 HG2 LYS 93 1HG LYS 93 16.448 0.310 2.571 739 HG3 LYS 93 2HG LYS 93 18.030 -0.453 2.654 740 HD2 LYS 93 1HD LYS 93 19.094 1.748 2.694 741 HD3 LYS 93 2HD LYS 93 17.513 2.523 2.583 742 HE2 LYS 93 1HE LYS 93 18.433 0.720 4.827 743 HE3 LYS 93 2HE LYS 93 18.374 2.477 4.893 744 HZ1 LYS 93 3HZ LYS 93 16.458 1.374 5.943 745 HZ2 LYS 93 1HZ LYS 93 15.977 0.746 4.464 746 HZ3 LYS 93 2HZ LYS 93 15.981 2.404 4.702 747 H LYS 94 H LYS 94 14.913 0.337 -0.857 748 HA LYS 94 HA LYS 94 13.118 0.182 1.307 749 HB2 LYS 94 1HB LYS 94 12.521 0.365 -1.639 750 HB3 LYS 94 2HB LYS 94 11.383 0.714 -0.347 751 HG2 LYS 94 1HG LYS 94 12.703 2.625 0.319 752 HG3 LYS 94 2HG LYS 94 13.928 2.223 -0.896 753 HD2 LYS 94 1HD LYS 94 12.263 2.507 -2.670 754 HD3 LYS 94 2HD LYS 94 11.048 2.856 -1.456 755 HE2 LYS 94 1HE LYS 94 13.519 4.506 -1.909 756 HE3 LYS 94 2HE LYS 94 11.908 4.869 -2.539 757 HZ1 LYS 94 3HZ LYS 94 12.689 4.731 0.325 758 HZ2 LYS 94 1HZ LYS 94 11.112 4.913 -0.239 759 HZ3 LYS 94 2HZ LYS 94 12.289 6.103 -0.525 760 H TYR 95 H TYR 95 13.544 -1.807 -1.581 761 HA TYR 95 HA TYR 95 11.419 -3.571 -1.134 762 HD1 TYR 95 1HD TYR 95 10.490 -5.083 -3.152 763 HD2 TYR 95 2HD TYR 95 14.545 -6.256 -2.648 764 HE1 TYR 95 1HE TYR 95 9.877 -7.414 -3.643 765 HE2 TYR 95 2HE TYR 95 13.935 -8.586 -3.134 766 HH TYR 95 HH TYR 95 10.868 -9.428 -4.385 767 HB2 TYR 95 1HB TYR 95 12.477 -3.441 -3.306 768 HB3 TYR 95 2HB TYR 95 14.011 -3.981 -2.634 769 H GLU 96 H GLU 96 14.868 -3.979 -0.398 770 HA GLU 96 HA GLU 96 14.570 -6.575 0.711 771 HB2 GLU 96 1HB GLU 96 16.766 -4.597 1.260 772 HB3 GLU 96 2HB GLU 96 16.834 -6.336 1.476 773 HG2 GLU 96 1HG GLU 96 16.627 -6.636 -0.934 774 HG3 GLU 96 2HG GLU 96 16.562 -4.884 -1.139 775 H ASP 97 H ASP 97 15.095 -3.421 2.199 776 HA ASP 97 HA ASP 97 15.236 -4.348 4.836 777 HB2 ASP 97 1HB ASP 97 16.228 -2.261 4.276 778 HB3 ASP 97 2HB ASP 97 14.698 -1.619 3.707 779 H ARG 98 H ARG 98 12.494 -2.885 3.088 780 HA ARG 98 HA ARG 98 10.914 -3.048 5.439 781 HE ARG 98 HE ARG 98 10.079 1.494 5.116 782 HB2 ARG 98 1HB ARG 98 10.052 -2.510 2.600 783 HB3 ARG 98 2HB ARG 98 8.971 -2.476 3.982 784 HG2 ARG 98 1HG ARG 98 11.331 -0.669 3.489 785 HG3 ARG 98 2HG ARG 98 9.623 -0.225 3.446 786 HD2 ARG 98 1HD ARG 98 9.475 -0.863 5.870 787 HD3 ARG 98 2HD ARG 98 11.221 -1.107 5.853 788 HH11 ARG 98 1HH1 ARG 98 12.173 -0.384 7.274 789 HH12 ARG 98 2HH1 ARG 98 12.736 0.989 8.106 790 HH21 ARG 98 1HH2 ARG 98 10.851 3.287 6.200 791 HH22 ARG 98 2HH2 ARG 98 12.010 3.149 7.470 792 H ALA 99 H ALA 99 11.347 -5.226 2.720 793 HA ALA 99 HA ALA 99 9.185 -6.890 3.440 794 HB1 ALA 99 3HB ALA 99 10.253 -6.958 1.229 795 HB2 ALA 99 1HB ALA 99 11.723 -7.586 1.968 796 HB3 ALA 99 2HB ALA 99 10.246 -8.548 1.991 797 H LYS 100 H LYS 100 12.666 -6.981 4.196 798 HA LYS 100 HA LYS 100 12.555 -9.345 5.741 799 HB2 LYS 100 1HB LYS 100 14.552 -7.087 5.824 800 HB3 LYS 100 2HB LYS 100 14.755 -8.610 6.667 801 HG2 LYS 100 1HG LYS 100 14.573 -8.243 3.680 802 HG3 LYS 100 2HG LYS 100 16.048 -8.519 4.592 803 HD2 LYS 100 1HD LYS 100 13.721 -10.427 4.309 804 HD3 LYS 100 2HD LYS 100 15.277 -10.564 3.506 805 HE2 LYS 100 1HE LYS 100 16.333 -10.727 5.787 806 HE3 LYS 100 2HE LYS 100 14.709 -10.779 6.463 807 HZ1 LYS 100 3HZ LYS 100 14.287 -12.779 5.117 808 HZ2 LYS 100 1HZ LYS 100 15.559 -13.016 6.193 809 HZ3 LYS 100 2HZ LYS 100 15.883 -12.729 4.577 810 H ALA 101 H ALA 101 12.157 -5.959 6.604 811 HA ALA 101 HA ALA 101 12.162 -6.393 9.406 812 HB1 ALA 101 3HB ALA 101 11.289 -4.130 9.589 813 HB2 ALA 101 1HB ALA 101 12.596 -4.196 8.405 814 HB3 ALA 101 2HB ALA 101 10.920 -4.120 7.863 815 H LYS 102 H LYS 102 9.742 -6.824 7.003 816 HA LYS 102 HA LYS 102 7.642 -7.018 9.038 817 HB2 LYS 102 1HB LYS 102 7.532 -7.366 6.054 818 HB3 LYS 102 2HB LYS 102 6.141 -7.409 7.122 819 HG2 LYS 102 1HG LYS 102 7.935 -5.011 6.852 820 HG3 LYS 102 2HG LYS 102 6.561 -5.295 5.801 821 HD2 LYS 102 1HD LYS 102 5.438 -4.057 7.301 822 HD3 LYS 102 2HD LYS 102 5.406 -5.528 8.253 823 HE2 LYS 102 1HE LYS 102 7.613 -3.481 8.534 824 HE3 LYS 102 2HE LYS 102 6.097 -3.308 9.389 825 HZ1 LYS 102 3HZ LYS 102 7.655 -4.279 10.837 826 HZ2 LYS 102 1HZ LYS 102 8.102 -5.510 9.787 827 HZ3 LYS 102 2HZ LYS 102 6.565 -5.462 10.487 828 H GLY 103 H GLY 103 9.884 -8.965 7.438 829 HA2 GLY 103 1HA GLY 103 10.351 -11.195 8.110 830 HA3 GLY 103 2HA GLY 103 8.683 -11.354 8.642 831 H ILE 104 H ILE 104 9.033 -9.879 5.648 832 HA ILE 104 HA ILE 104 7.611 -11.981 4.345 833 HB ILE 104 HB ILE 104 8.795 -9.419 3.250 834 HG12 ILE 104 1HG1 ILE 104 7.079 -9.003 4.933 835 HG13 ILE 104 2HG1 ILE 104 6.508 -8.533 3.336 836 HG21 ILE 104 1HG2 ILE 104 8.482 -11.048 1.477 837 HG22 ILE 104 2HG2 ILE 104 7.346 -9.710 1.330 838 HG23 ILE 104 3HG2 ILE 104 6.793 -11.267 1.956 839 HD11 ILE 104 3HD1 ILE 104 4.764 -9.636 4.603 840 HD12 ILE 104 1HD1 ILE 104 5.788 -11.054 4.814 841 HD13 ILE 104 2HD1 ILE 104 5.221 -10.607 3.204 842 H VAL 105 H VAL 105 8.501 -13.630 3.303 843 HA VAL 105 HA VAL 105 11.327 -13.750 2.954 844 HB VAL 105 HB VAL 105 10.123 -15.809 3.562 845 HG11 VAL 105 1HG1 VAL 105 8.019 -15.484 2.426 846 HG12 VAL 105 2HG1 VAL 105 8.812 -15.644 0.861 847 HG13 VAL 105 3HG1 VAL 105 8.730 -17.027 1.951 848 HG21 VAL 105 3HG2 VAL 105 11.425 -15.963 0.850 849 HG22 VAL 105 1HG2 VAL 105 11.119 -17.348 1.902 850 HG23 VAL 105 2HG2 VAL 105 12.223 -16.073 2.418 851 H ILE 106 H ILE 106 12.406 -12.945 1.368 852 HA ILE 106 HA ILE 106 11.307 -12.987 -1.330 853 HB ILE 106 HB ILE 106 12.143 -10.779 -1.890 854 HG12 ILE 106 1HG1 ILE 106 14.051 -10.656 -0.272 855 HG13 ILE 106 2HG1 ILE 106 13.122 -9.173 -0.336 856 HG21 ILE 106 1HG2 ILE 106 10.624 -9.315 -0.676 857 HG22 ILE 106 2HG2 ILE 106 10.351 -10.606 0.494 858 HG23 ILE 106 3HG2 ILE 106 9.874 -10.829 -1.189 859 HD11 ILE 106 3HD1 ILE 106 13.760 -9.674 1.916 860 HD12 ILE 106 1HD1 ILE 106 13.022 -11.276 1.808 861 HD13 ILE 106 2HD1 ILE 106 12.008 -9.839 1.749 862 HA PRO 107 HA PRO 107 15.372 -14.478 -2.214 863 HB2 PRO 107 1HB PRO 107 15.700 -13.561 -4.766 864 HB3 PRO 107 2HB PRO 107 14.744 -14.988 -4.363 865 HG2 PRO 107 1HG PRO 107 13.860 -12.207 -4.973 866 HG3 PRO 107 2HG PRO 107 13.113 -13.747 -5.438 867 HD2 PRO 107 1HD PRO 107 12.186 -12.205 -3.411 868 HD3 PRO 107 2HD PRO 107 12.039 -13.973 -3.423 869 H GLU 108 H GLU 108 16.854 -13.417 -1.073 870 HA GLU 108 HA GLU 108 17.428 -10.661 -1.757 871 HB2 GLU 108 1HB GLU 108 18.617 -10.662 0.494 872 HB3 GLU 108 2HB GLU 108 16.871 -10.836 0.550 873 HG2 GLU 108 1HG GLU 108 17.149 -13.259 0.888 874 HG3 GLU 108 2HG GLU 108 18.897 -13.055 0.863
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