NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
632573 | 6ews | 34193 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.688 0.665 -0.105 2 HA MET 1 HA MET 1 3.707 -0.682 -1.793 3 HB2 MET 1 HB2 MET 1 1.537 -1.836 -0.018 4 HB3 MET 1 HB3 MET 1 2.109 -2.689 -1.442 5 HG2 MET 1 HG2 MET 1 3.866 -1.814 0.865 6 HG3 MET 1 HG3 MET 1 3.288 -3.449 0.542 7 HE1 MET 1 HE1 MET 1 7.072 -3.825 -0.162 8 HE2 MET 1 HE2 MET 1 6.160 -3.050 1.153 9 HE3 MET 1 HE3 MET 1 5.634 -4.626 0.520 10 H LYS 2 H LYS 2 3.221 0.481 -3.679 11 HA LYS 2 HA LYS 2 0.645 -0.252 -4.912 12 HB2 LYS 2 HB2 LYS 2 0.486 2.124 -4.001 13 HB3 LYS 2 HB3 LYS 2 1.783 2.544 -5.146 14 HG2 LYS 2 HG2 LYS 2 0.386 1.784 -7.019 15 HG3 LYS 2 HG3 LYS 2 -0.940 1.393 -5.914 16 HD2 LYS 2 HD2 LYS 2 -0.645 3.951 -5.179 17 HD3 LYS 2 HD3 LYS 2 0.213 4.079 -6.697 18 HE2 LYS 2 HE2 LYS 2 -2.039 4.742 -7.099 19 HE3 LYS 2 HE3 LYS 2 -1.787 3.203 -7.902 20 HZ1 LYS 2 HZ1 LYS 2 -2.959 2.150 -6.014 21 HZ2 LYS 2 HZ2 LYS 2 -3.885 3.235 -6.764 22 HZ3 LYS 2 HZ3 LYS 2 -3.184 3.636 -5.321 23 H ASN 3 H ASN 3 1.144 -1.341 -6.572 24 HA ASN 3 HA ASN 3 3.777 -1.456 -7.767 25 HB2 ASN 3 HB2 ASN 3 2.549 -3.018 -9.326 26 HB3 ASN 3 HB3 ASN 3 2.687 -3.527 -7.679 27 HD21 ASN 3 HD21 ASN 3 0.614 -4.065 -9.990 28 HD22 ASN 3 HD22 ASN 3 -0.908 -3.863 -9.123 29 H ALA 4 H ALA 4 4.070 -1.140 -9.924 30 HA ALA 4 HA ALA 4 3.613 1.324 -11.014 31 HB1 ALA 4 HB1 ALA 4 4.199 -1.276 -12.467 32 HB2 ALA 4 HB2 ALA 4 4.394 0.343 -13.159 33 HB3 ALA 4 HB3 ALA 4 5.374 -0.160 -11.758 34 H ALA 5 H ALA 5 1.885 -1.676 -11.863 35 HA ALA 5 HA ALA 5 0.249 -0.677 -13.807 36 HB1 ALA 5 HB1 ALA 5 -1.190 -2.601 -13.407 37 HB2 ALA 5 HB2 ALA 5 0.499 -3.075 -13.193 38 HB3 ALA 5 HB3 ALA 5 -0.531 -2.794 -11.771 39 H GLN 6 H GLN 6 -0.363 -0.524 -10.258 40 HA GLN 6 HA GLN 6 -2.997 0.628 -10.536 41 HB2 GLN 6 HB2 GLN 6 -0.928 0.654 -8.315 42 HB3 GLN 6 HB3 GLN 6 -2.512 1.442 -8.213 43 HG2 GLN 6 HG2 GLN 6 -3.594 -0.723 -8.528 44 HG3 GLN 6 HG3 GLN 6 -2.030 -1.518 -8.419 45 HE21 GLN 6 HE21 GLN 6 -1.094 -1.677 -6.337 46 HE22 GLN 6 HE22 GLN 6 -1.759 -0.935 -4.884 47 H ILE 7 H ILE 7 0.325 1.944 -10.274 48 HA ILE 7 HA ILE 7 -0.457 4.670 -9.868 49 HB ILE 7 HB ILE 7 2.113 3.848 -11.286 50 HG12 ILE 7 HG12 ILE 7 1.333 3.346 -8.446 51 HG13 ILE 7 HG13 ILE 7 2.258 2.391 -9.587 52 HG21 ILE 7 HG21 ILE 7 2.964 5.905 -10.215 53 HG22 ILE 7 HG22 ILE 7 1.456 6.296 -11.037 54 HG23 ILE 7 HG23 ILE 7 1.465 6.068 -9.272 55 HD11 ILE 7 HD11 ILE 7 4.166 3.900 -9.377 56 HD12 ILE 7 HD12 ILE 7 3.295 4.803 -8.099 57 HD13 ILE 7 HD13 ILE 7 3.729 3.097 -7.852 58 H VAL 8 H VAL 8 0.222 2.769 -12.822 59 HA VAL 8 HA VAL 8 -0.271 4.955 -14.616 60 HB VAL 8 HB VAL 8 -0.391 1.975 -15.093 61 HG11 VAL 8 HG11 VAL 8 -1.563 3.196 -16.933 62 HG12 VAL 8 HG12 VAL 8 -0.036 4.058 -17.249 63 HG13 VAL 8 HG13 VAL 8 -0.132 2.303 -17.446 64 HG21 VAL 8 HG21 VAL 8 1.878 2.420 -16.194 65 HG22 VAL 8 HG22 VAL 8 1.829 3.952 -15.287 66 HG23 VAL 8 HG23 VAL 8 1.793 2.407 -14.440 67 H ASP 9 H ASP 9 -2.451 2.415 -13.264 68 HA ASP 9 HA ASP 9 -4.742 3.131 -14.753 69 HB2 ASP 9 HB2 ASP 9 -4.200 1.629 -12.240 70 HB3 ASP 9 HB3 ASP 9 -5.784 2.403 -12.283 71 H GLU 10 H GLU 10 -3.525 4.476 -11.673 72 HA GLU 10 HA GLU 10 -5.677 6.283 -11.175 73 HB2 GLU 10 HB2 GLU 10 -2.743 6.122 -10.384 74 HB3 GLU 10 HB3 GLU 10 -3.678 7.543 -9.952 75 HG2 GLU 10 HG2 GLU 10 -4.673 4.760 -9.273 76 HG3 GLU 10 HG3 GLU 10 -3.517 5.616 -8.249 77 H ALA 11 H ALA 11 -2.651 6.638 -13.063 78 HA ALA 11 HA ALA 11 -3.094 9.454 -13.553 79 HB1 ALA 11 HB1 ALA 11 -1.445 7.600 -15.282 80 HB2 ALA 11 HB2 ALA 11 -1.142 9.305 -14.880 81 HB3 ALA 11 HB3 ALA 11 -0.910 8.048 -13.657 82 H LEU 12 H LEU 12 -3.769 6.490 -15.366 83 HA LEU 12 HA LEU 12 -4.582 7.517 -17.847 84 HB2 LEU 12 HB2 LEU 12 -4.218 5.174 -17.549 85 HB3 LEU 12 HB3 LEU 12 -5.370 5.088 -16.217 86 HG LEU 12 HG LEU 12 -7.218 5.548 -17.708 87 HD11 LEU 12 HD11 LEU 12 -6.174 6.799 -19.579 88 HD12 LEU 12 HD12 LEU 12 -6.756 5.275 -20.263 89 HD13 LEU 12 HD13 LEU 12 -5.047 5.474 -19.887 90 HD21 LEU 12 HD21 LEU 12 -5.386 3.261 -18.573 91 HD22 LEU 12 HD22 LEU 12 -7.126 3.323 -18.896 92 HD23 LEU 12 HD23 LEU 12 -6.545 3.231 -17.218 93 H ASN 13 H ASN 13 -6.375 7.188 -14.843 94 HA ASN 13 HA ASN 13 -8.970 7.797 -15.625 95 HB2 ASN 13 HB2 ASN 13 -7.803 7.139 -13.329 96 HB3 ASN 13 HB3 ASN 13 -7.804 8.884 -13.069 97 HD21 ASN 13 HD21 ASN 13 -9.244 6.720 -11.694 98 HD22 ASN 13 HD22 ASN 13 -10.953 7.040 -11.834 99 H GLN 14 H GLN 14 -6.179 9.960 -15.168 100 HA GLN 14 HA GLN 14 -7.826 12.401 -15.412 101 HB2 GLN 14 HB2 GLN 14 -4.830 12.299 -15.037 102 HB3 GLN 14 HB3 GLN 14 -5.978 13.580 -14.639 103 HG2 GLN 14 HG2 GLN 14 -6.917 11.731 -12.968 104 HG3 GLN 14 HG3 GLN 14 -5.349 10.985 -13.250 105 HE21 GLN 14 HE21 GLN 14 -4.644 11.214 -11.104 106 HE22 GLN 14 HE22 GLN 14 -4.156 12.774 -10.487 107 H GLY 15 H GLY 15 -6.745 10.254 -17.572 108 HA2 GLY 15 HA2 GLY 15 -6.497 10.388 -19.859 109 HA3 GLY 15 HA3 GLY 15 -6.671 12.144 -19.768 110 H ILE 16 H ILE 16 -4.165 10.078 -18.120 111 HA ILE 16 HA ILE 16 -2.116 11.112 -19.933 112 HB ILE 16 HB ILE 16 -2.018 12.740 -18.290 113 HG12 ILE 16 HG12 ILE 16 0.122 11.542 -18.938 114 HG13 ILE 16 HG13 ILE 16 0.148 12.710 -17.644 115 HG21 ILE 16 HG21 ILE 16 -1.828 12.481 -15.898 116 HG22 ILE 16 HG22 ILE 16 -3.393 11.974 -16.547 117 HG23 ILE 16 HG23 ILE 16 -2.202 10.751 -16.081 118 HD11 ILE 16 HD11 ILE 16 1.522 10.864 -17.053 119 HD12 ILE 16 HD12 ILE 16 0.128 10.892 -15.979 120 HD13 ILE 16 HD13 ILE 16 0.193 9.712 -17.306 121 H THR 17 H THR 17 -0.747 9.545 -20.484 122 HA THR 17 HA THR 17 -0.887 6.955 -19.055 123 HB THR 17 HB THR 17 -0.022 7.328 -21.925 124 HG1 THR 17 HG1 THR 17 -2.117 6.804 -22.544 125 HG21 THR 17 HG21 THR 17 0.495 5.162 -21.024 126 HG22 THR 17 HG22 THR 17 -0.956 4.945 -22.012 127 HG23 THR 17 HG23 THR 17 -1.105 5.014 -20.249 128 H LEU 18 H LEU 18 1.026 5.718 -18.882 129 HA LEU 18 HA LEU 18 3.461 7.412 -18.725 130 HB2 LEU 18 HB2 LEU 18 2.723 5.035 -16.864 131 HB3 LEU 18 HB3 LEU 18 4.217 5.961 -16.933 132 HG LEU 18 HG LEU 18 3.014 6.671 -15.088 133 HD11 LEU 18 HD11 LEU 18 2.644 8.842 -17.148 134 HD12 LEU 18 HD12 LEU 18 4.208 8.455 -16.384 135 HD13 LEU 18 HD13 LEU 18 2.837 9.052 -15.405 136 HD21 LEU 18 HD21 LEU 18 0.869 7.339 -14.911 137 HD22 LEU 18 HD22 LEU 18 0.750 6.001 -16.071 138 HD23 LEU 18 HD23 LEU 18 0.662 7.650 -16.656 139 H PHE 19 H PHE 19 5.058 6.707 -20.017 140 HA PHE 19 HA PHE 19 5.168 3.849 -20.828 141 HB2 PHE 19 HB2 PHE 19 5.327 6.093 -22.838 142 HB3 PHE 19 HB3 PHE 19 5.600 4.400 -23.169 143 HD1 PHE 19 HD1 PHE 19 3.371 6.843 -23.888 144 HD2 PHE 19 HD2 PHE 19 3.435 2.885 -22.134 145 HE1 PHE 19 HE1 PHE 19 1.068 6.485 -24.600 146 HE2 PHE 19 HE2 PHE 19 1.129 2.512 -22.933 147 HZ PHE 19 HZ PHE 19 -0.061 4.298 -24.199 148 H VAL 20 H VAL 20 7.383 3.621 -22.228 149 HA VAL 20 HA VAL 20 9.493 5.195 -20.850 150 HB VAL 20 HB VAL 20 9.007 2.236 -20.910 151 HG11 VAL 20 HG11 VAL 20 11.884 3.262 -21.053 152 HG12 VAL 20 HG12 VAL 20 11.317 1.599 -20.777 153 HG13 VAL 20 HG13 VAL 20 11.070 2.339 -22.338 154 HG21 VAL 20 HG21 VAL 20 8.963 3.725 -18.878 155 HG22 VAL 20 HG22 VAL 20 10.037 2.316 -18.792 156 HG23 VAL 20 HG23 VAL 20 10.706 3.933 -19.079 157 H ALA 21 H ALA 21 11.283 5.660 -21.982 158 HA ALA 21 HA ALA 21 11.942 4.767 -24.591 159 HB1 ALA 21 HB1 ALA 21 10.958 7.633 -24.238 160 HB2 ALA 21 HB2 ALA 21 11.766 6.974 -25.669 161 HB3 ALA 21 HB3 ALA 21 10.149 6.398 -25.228 162 H ASP 22 H ASP 22 14.047 5.478 -24.977 163 HA ASP 22 HA ASP 22 16.175 5.835 -24.394 164 HB2 ASP 22 HB2 ASP 22 14.727 8.241 -24.410 165 HB3 ASP 22 HB3 ASP 22 15.768 8.395 -23.033 166 H ASN 23 H ASN 23 14.721 4.333 -22.437 167 HA ASN 23 HA ASN 23 15.013 3.320 -20.508 168 HB2 ASN 23 HB2 ASN 23 17.436 3.294 -21.354 169 HB3 ASN 23 HB3 ASN 23 17.738 4.619 -20.222 170 HD21 ASN 23 HD21 ASN 23 16.178 1.366 -20.273 171 HD22 ASN 23 HD22 ASN 23 16.889 0.836 -18.757 172 H ARG 24 H ARG 24 13.816 6.019 -20.574 173 HA ARG 24 HA ARG 24 13.987 6.594 -17.660 174 HB2 ARG 24 HB2 ARG 24 14.310 8.850 -18.006 175 HB3 ARG 24 HB3 ARG 24 15.223 8.195 -19.368 176 HG2 ARG 24 HG2 ARG 24 13.221 8.552 -20.817 177 HG3 ARG 24 HG3 ARG 24 12.434 9.395 -19.455 178 HD2 ARG 24 HD2 ARG 24 14.633 10.766 -19.474 179 HD3 ARG 24 HD3 ARG 24 14.820 10.123 -21.123 180 HE ARG 24 HE ARG 24 12.394 11.035 -21.342 181 HH11 ARG 24 HH11 ARG 24 15.103 12.728 -19.750 182 HH12 ARG 24 HH12 ARG 24 14.810 14.212 -20.586 183 HH21 ARG 24 HH21 ARG 24 11.600 13.193 -21.718 184 HH22 ARG 24 HH22 ARG 24 12.683 14.535 -21.583 185 H LEU 25 H LEU 25 12.009 7.874 -16.948 186 HA LEU 25 HA LEU 25 9.611 6.470 -17.864 187 HB2 LEU 25 HB2 LEU 25 10.242 6.906 -15.436 188 HB3 LEU 25 HB3 LEU 25 10.077 8.613 -15.722 189 HG LEU 25 HG LEU 25 8.220 7.465 -14.507 190 HD11 LEU 25 HD11 LEU 25 6.989 8.711 -16.943 191 HD12 LEU 25 HD12 LEU 25 7.989 9.668 -15.838 192 HD13 LEU 25 HD13 LEU 25 6.542 8.827 -15.238 193 HD21 LEU 25 HD21 LEU 25 8.061 5.401 -15.857 194 HD22 LEU 25 HD22 LEU 25 7.408 6.353 -17.213 195 HD23 LEU 25 HD23 LEU 25 6.510 6.239 -15.701 196 H GLN 26 H GLN 26 7.981 7.457 -19.201 197 HA GLN 26 HA GLN 26 8.091 10.380 -19.591 198 HB2 GLN 26 HB2 GLN 26 8.270 8.264 -21.764 199 HB3 GLN 26 HB3 GLN 26 7.328 9.711 -22.030 200 HG2 GLN 26 HG2 GLN 26 9.138 10.741 -22.700 201 HG3 GLN 26 HG3 GLN 26 9.606 10.857 -21.008 202 HE21 GLN 26 HE21 GLN 26 10.157 7.809 -20.963 203 HE22 GLN 26 HE22 GLN 26 11.721 7.779 -21.747 204 H TYR 27 H TYR 27 6.079 11.169 -20.526 205 HA TYR 27 HA TYR 27 3.766 9.518 -19.836 206 HB2 TYR 27 HB2 TYR 27 2.959 11.960 -18.891 207 HB3 TYR 27 HB3 TYR 27 3.522 10.602 -17.949 208 HD1 TYR 27 HD1 TYR 27 5.434 10.661 -16.605 209 HD2 TYR 27 HD2 TYR 27 4.746 13.797 -19.473 210 HE1 TYR 27 HE1 TYR 27 7.419 11.886 -15.739 211 HE2 TYR 27 HE2 TYR 27 6.715 15.024 -18.627 212 HH TYR 27 HH TYR 27 8.422 15.069 -17.008 213 H GLU 28 H GLU 28 1.937 9.970 -20.979 214 HA GLU 28 HA GLU 28 2.153 11.922 -23.224 215 HB2 GLU 28 HB2 GLU 28 2.733 9.454 -23.681 216 HB3 GLU 28 HB3 GLU 28 1.030 9.102 -23.463 217 HG2 GLU 28 HG2 GLU 28 0.447 10.513 -25.356 218 HG3 GLU 28 HG3 GLU 28 2.090 11.171 -25.439 219 H THR 29 H THR 29 0.525 13.398 -22.822 220 HA THR 29 HA THR 29 -2.129 12.335 -21.977 221 HB THR 29 HB THR 29 -0.927 13.212 -20.047 222 HG1 THR 29 HG1 THR 29 -3.187 13.537 -20.185 223 HG21 THR 29 HG21 THR 29 -0.848 15.916 -21.404 224 HG22 THR 29 HG22 THR 29 0.556 14.868 -21.063 225 HG23 THR 29 HG23 THR 29 -0.388 15.546 -19.736 226 H SER 30 H SER 30 -3.853 13.990 -22.270 227 HA SER 30 HA SER 30 -3.538 15.397 -24.880 228 HB2 SER 30 HB2 SER 30 -5.433 13.461 -23.918 229 HB3 SER 30 HB3 SER 30 -6.285 15.002 -24.064 230 HG SER 30 HG SER 30 -5.510 15.164 -26.194 231 H ARG 31 H ARG 31 -3.396 16.082 -21.643 232 HA ARG 31 HA ARG 31 -5.256 18.307 -21.439 233 HB2 ARG 31 HB2 ARG 31 -2.752 17.551 -19.858 234 HB3 ARG 31 HB3 ARG 31 -3.913 18.800 -19.387 235 HG2 ARG 31 HG2 ARG 31 -5.670 17.173 -19.035 236 HG3 ARG 31 HG3 ARG 31 -4.711 15.877 -19.745 237 HD2 ARG 31 HD2 ARG 31 -4.592 15.591 -17.397 238 HD3 ARG 31 HD3 ARG 31 -3.011 16.151 -17.932 239 HE ARG 31 HE ARG 31 -3.753 18.461 -17.250 240 HH11 ARG 31 HH11 ARG 31 -5.083 15.607 -15.519 241 HH12 ARG 31 HH12 ARG 31 -5.334 16.509 -14.055 242 HH21 ARG 31 HH21 ARG 31 -4.506 19.634 -15.461 243 HH22 ARG 31 HH22 ARG 31 -5.170 18.807 -14.074 244 H ASP 32 H ASP 32 -4.414 20.615 -21.129 245 HA ASP 32 HA ASP 32 -2.692 21.314 -23.384 246 HB2 ASP 32 HB2 ASP 32 -3.828 22.997 -21.122 247 HB3 ASP 32 HB3 ASP 32 -2.978 23.646 -22.514 248 H ASN 33 H ASN 33 -2.228 20.537 -20.072 249 HA ASN 33 HA ASN 33 0.617 20.755 -20.094 250 HB2 ASN 33 HB2 ASN 33 0.719 22.317 -18.137 251 HB3 ASN 33 HB3 ASN 33 0.146 23.126 -19.580 252 HD21 ASN 33 HD21 ASN 33 -0.625 22.298 -16.244 253 HD22 ASN 33 HD22 ASN 33 -2.258 22.958 -16.293 254 H ILE 34 H ILE 34 1.432 19.662 -18.187 255 HA ILE 34 HA ILE 34 -0.615 17.956 -16.862 256 HB ILE 34 HB ILE 34 1.077 16.739 -18.149 257 HG12 ILE 34 HG12 ILE 34 2.010 15.332 -16.110 258 HG13 ILE 34 HG13 ILE 34 1.065 16.419 -15.098 259 HG21 ILE 34 HG21 ILE 34 2.963 18.360 -17.900 260 HG22 ILE 34 HG22 ILE 34 3.156 17.776 -16.230 261 HG23 ILE 34 HG23 ILE 34 3.389 16.676 -17.608 262 HD11 ILE 34 HD11 ILE 34 -1.008 15.784 -16.373 263 HD12 ILE 34 HD12 ILE 34 -0.034 14.807 -17.450 264 HD13 ILE 34 HD13 ILE 34 -0.183 14.345 -15.735 265 HA PRO 35 HA PRO 35 0.279 20.619 -13.441 266 HB2 PRO 35 HB2 PRO 35 -0.727 19.048 -11.376 267 HB3 PRO 35 HB3 PRO 35 -1.708 20.158 -12.423 268 HG2 PRO 35 HG2 PRO 35 -1.242 17.243 -12.483 269 HG3 PRO 35 HG3 PRO 35 -2.778 18.088 -12.876 270 HD2 PRO 35 HD2 PRO 35 -1.030 17.024 -14.694 271 HD3 PRO 35 HD3 PRO 35 -2.011 18.460 -15.105 272 H GLU 36 H GLU 36 1.782 20.792 -11.742 273 HA GLU 36 HA GLU 36 4.074 19.134 -11.932 274 HB2 GLU 36 HB2 GLU 36 4.782 20.312 -9.817 275 HB3 GLU 36 HB3 GLU 36 4.413 21.285 -11.251 276 HG2 GLU 36 HG2 GLU 36 2.051 21.649 -10.159 277 HG3 GLU 36 HG3 GLU 36 2.795 21.014 -8.708 278 H GLU 37 H GLU 37 1.418 19.073 -9.541 279 HA GLU 37 HA GLU 37 2.554 17.226 -7.763 280 HB2 GLU 37 HB2 GLU 37 0.103 16.423 -7.470 281 HB3 GLU 37 HB3 GLU 37 0.521 18.017 -6.930 282 HG2 GLU 37 HG2 GLU 37 -0.595 17.598 -9.710 283 HG3 GLU 37 HG3 GLU 37 -1.651 17.599 -8.304 284 H LEU 38 H LEU 38 0.836 16.590 -10.836 285 HA LEU 38 HA LEU 38 0.743 13.739 -10.582 286 HB2 LEU 38 HB2 LEU 38 0.582 15.720 -12.845 287 HB3 LEU 38 HB3 LEU 38 0.796 14.050 -13.259 288 HG LEU 38 HG LEU 38 -1.587 15.080 -13.220 289 HD11 LEU 38 HD11 LEU 38 -1.222 12.446 -11.807 290 HD12 LEU 38 HD12 LEU 38 -1.024 12.667 -13.570 291 HD13 LEU 38 HD13 LEU 38 -2.587 12.956 -12.819 292 HD21 LEU 38 HD21 LEU 38 -2.823 14.888 -11.130 293 HD22 LEU 38 HD22 LEU 38 -1.446 15.953 -10.828 294 HD23 LEU 38 HD23 LEU 38 -1.389 14.286 -10.273 295 H LEU 39 H LEU 39 3.046 15.986 -12.167 296 HA LEU 39 HA LEU 39 4.826 13.928 -13.035 297 HB2 LEU 39 HB2 LEU 39 5.433 16.834 -12.289 298 HB3 LEU 39 HB3 LEU 39 6.570 15.728 -13.047 299 HG LEU 39 HG LEU 39 4.003 16.821 -14.255 300 HD11 LEU 39 HD11 LEU 39 6.947 17.036 -15.061 301 HD12 LEU 39 HD12 LEU 39 5.980 18.305 -14.276 302 HD13 LEU 39 HD13 LEU 39 5.577 17.770 -15.914 303 HD21 LEU 39 HD21 LEU 39 5.833 14.596 -15.197 304 HD22 LEU 39 HD22 LEU 39 4.826 15.516 -16.327 305 HD23 LEU 39 HD23 LEU 39 4.065 14.566 -15.049 306 H ASN 40 H ASN 40 4.782 15.851 -10.062 307 HA ASN 40 HA ASN 40 7.068 14.743 -8.857 308 HB2 ASN 40 HB2 ASN 40 4.633 16.226 -7.887 309 HB3 ASN 40 HB3 ASN 40 5.680 15.440 -6.698 310 HD21 ASN 40 HD21 ASN 40 5.511 17.925 -9.179 311 HD22 ASN 40 HD22 ASN 40 7.017 18.735 -8.782 312 H GLU 41 H GLU 41 3.692 13.589 -8.755 313 HA GLU 41 HA GLU 41 4.220 11.467 -6.893 314 HB2 GLU 41 HB2 GLU 41 2.037 12.377 -8.693 315 HB3 GLU 41 HB3 GLU 41 2.010 10.660 -8.335 316 HG2 GLU 41 HG2 GLU 41 0.638 11.968 -6.732 317 HG3 GLU 41 HG3 GLU 41 1.919 11.068 -5.952 318 H TRP 42 H TRP 42 4.058 11.589 -10.469 319 HA TRP 42 HA TRP 42 4.746 8.801 -10.798 320 HB2 TRP 42 HB2 TRP 42 5.164 11.082 -12.741 321 HB3 TRP 42 HB3 TRP 42 5.080 9.360 -13.090 322 HD1 TRP 42 HD1 TRP 42 3.238 11.523 -14.461 323 HE1 TRP 42 HE1 TRP 42 0.685 11.415 -14.289 324 HE3 TRP 42 HE3 TRP 42 2.729 8.645 -10.187 325 HZ2 TRP 42 HZ2 TRP 42 -1.300 10.323 -12.522 326 HZ3 TRP 42 HZ3 TRP 42 0.502 8.144 -9.318 327 HH2 TRP 42 HH2 TRP 42 -1.532 8.930 -10.498 328 H LYS 43 H LYS 43 6.736 11.709 -10.305 329 HA LYS 43 HA LYS 43 9.253 10.542 -11.115 330 HB2 LYS 43 HB2 LYS 43 8.292 12.995 -9.587 331 HB3 LYS 43 HB3 LYS 43 10.017 12.584 -9.653 332 HG2 LYS 43 HG2 LYS 43 10.012 12.638 -12.005 333 HG3 LYS 43 HG3 LYS 43 8.298 12.809 -12.156 334 HD2 LYS 43 HD2 LYS 43 8.357 15.030 -11.106 335 HD3 LYS 43 HD3 LYS 43 10.118 14.910 -10.914 336 HE2 LYS 43 HE2 LYS 43 8.724 14.621 -13.600 337 HE3 LYS 43 HE3 LYS 43 9.240 16.191 -12.956 338 HZ1 LYS 43 HZ1 LYS 43 11.045 13.901 -13.441 339 HZ2 LYS 43 HZ2 LYS 43 11.480 15.374 -12.850 340 HZ3 LYS 43 HZ3 LYS 43 10.951 15.223 -14.401 341 H TYR 44 H TYR 44 7.303 10.614 -8.138 342 HA TYR 44 HA TYR 44 9.479 9.728 -6.511 343 HB2 TYR 44 HB2 TYR 44 7.384 10.767 -5.656 344 HB3 TYR 44 HB3 TYR 44 6.534 9.268 -5.997 345 HD1 TYR 44 HD1 TYR 44 10.001 9.719 -4.471 346 HD2 TYR 44 HD2 TYR 44 5.881 8.608 -3.818 347 HE1 TYR 44 HE1 TYR 44 10.576 8.907 -2.257 348 HE2 TYR 44 HE2 TYR 44 6.449 7.816 -1.554 349 HH TYR 44 HH TYR 44 9.833 7.819 -0.346 350 H TYR 45 H TYR 45 7.068 7.914 -8.379 351 HA TYR 45 HA TYR 45 8.400 5.342 -7.722 352 HB2 TYR 45 HB2 TYR 45 5.596 6.022 -8.684 353 HB3 TYR 45 HB3 TYR 45 6.250 4.408 -8.630 354 HD1 TYR 45 HD1 TYR 45 6.494 3.097 -6.700 355 HD2 TYR 45 HD2 TYR 45 5.231 7.204 -6.384 356 HE1 TYR 45 HE1 TYR 45 5.831 2.711 -4.368 357 HE2 TYR 45 HE2 TYR 45 4.551 6.814 -4.036 358 HH TYR 45 HH TYR 45 4.397 5.228 -2.295 359 H ARG 46 H ARG 46 9.295 7.407 -9.918 360 HA ARG 46 HA ARG 46 8.608 6.392 -12.422 361 HB2 ARG 46 HB2 ARG 46 10.293 7.537 -13.402 362 HB3 ARG 46 HB3 ARG 46 9.945 8.508 -11.999 363 HG2 ARG 46 HG2 ARG 46 12.249 6.500 -12.177 364 HG3 ARG 46 HG3 ARG 46 12.384 8.197 -12.670 365 HD2 ARG 46 HD2 ARG 46 11.889 9.057 -10.576 366 HD3 ARG 46 HD3 ARG 46 11.251 7.505 -10.001 367 HE ARG 46 HE ARG 46 14.014 7.186 -10.419 368 HH11 ARG 46 HH11 ARG 46 11.740 8.941 -8.233 369 HH12 ARG 46 HH12 ARG 46 12.691 8.620 -6.827 370 HH21 ARG 46 HH21 ARG 46 15.256 6.882 -8.490 371 HH22 ARG 46 HH22 ARG 46 14.674 7.511 -6.963 372 H GLN 47 H GLN 47 11.200 5.114 -10.245 373 HA GLN 47 HA GLN 47 12.110 3.293 -12.270 374 HB2 GLN 47 HB2 GLN 47 13.449 4.096 -10.270 375 HB3 GLN 47 HB3 GLN 47 12.454 3.037 -9.256 376 HG2 GLN 47 HG2 GLN 47 14.640 2.021 -9.868 377 HG3 GLN 47 HG3 GLN 47 13.285 1.056 -10.429 378 HE21 GLN 47 HE21 GLN 47 13.205 0.569 -12.638 379 HE22 GLN 47 HE22 GLN 47 14.297 1.275 -13.822 380 H ASP 48 H ASP 48 9.577 3.165 -9.801 381 HA ASP 48 HA ASP 48 9.179 0.305 -9.902 382 HB2 ASP 48 HB2 ASP 48 8.284 2.188 -8.214 383 HB3 ASP 48 HB3 ASP 48 6.915 2.237 -9.330 384 H LEU 49 H LEU 49 7.729 3.107 -11.404 385 HA LEU 49 HA LEU 49 5.880 1.895 -13.145 386 HB2 LEU 49 HB2 LEU 49 7.400 4.513 -13.192 387 HB3 LEU 49 HB3 LEU 49 6.470 4.034 -14.596 388 HG LEU 49 HG LEU 49 5.065 4.034 -11.942 389 HD11 LEU 49 HD11 LEU 49 5.560 6.535 -13.596 390 HD12 LEU 49 HD12 LEU 49 6.212 6.217 -11.972 391 HD13 LEU 49 HD13 LEU 49 4.471 6.398 -12.207 392 HD21 LEU 49 HD21 LEU 49 4.176 4.630 -14.743 393 HD22 LEU 49 HD22 LEU 49 3.164 4.662 -13.269 394 HD23 LEU 49 HD23 LEU 49 3.904 3.140 -13.799 395 H ILE 50 H ILE 50 9.131 3.184 -14.089 396 HA ILE 50 HA ILE 50 9.309 2.164 -16.637 397 HB ILE 50 HB ILE 50 11.471 2.432 -14.515 398 HG12 ILE 50 HG12 ILE 50 11.224 4.207 -16.950 399 HG13 ILE 50 HG13 ILE 50 10.118 4.482 -15.625 400 HG21 ILE 50 HG21 ILE 50 13.049 2.438 -16.587 401 HG22 ILE 50 HG22 ILE 50 12.396 0.878 -16.072 402 HG23 ILE 50 HG23 ILE 50 11.672 1.689 -17.457 403 HD11 ILE 50 HD11 ILE 50 12.034 4.868 -14.074 404 HD12 ILE 50 HD12 ILE 50 13.159 4.392 -15.354 405 HD13 ILE 50 HD13 ILE 50 12.222 5.880 -15.497 406 H ASP 51 H ASP 51 10.162 0.272 -13.714 407 HA ASP 51 HA ASP 51 11.162 -1.955 -14.938 408 HB2 ASP 51 HB2 ASP 51 10.844 -1.380 -12.462 409 HB3 ASP 51 HB3 ASP 51 9.186 -1.944 -12.604 410 H PHE 52 H PHE 52 7.698 -1.238 -14.428 411 HA PHE 52 HA PHE 52 6.901 -3.665 -15.912 412 HB2 PHE 52 HB2 PHE 52 5.554 -1.533 -14.285 413 HB3 PHE 52 HB3 PHE 52 4.596 -2.322 -15.518 414 HD1 PHE 52 HD1 PHE 52 7.000 -3.343 -12.762 415 HD2 PHE 52 HD2 PHE 52 3.377 -4.216 -14.954 416 HE1 PHE 52 HE1 PHE 52 6.648 -5.381 -11.410 417 HE2 PHE 52 HE2 PHE 52 3.046 -6.244 -13.598 418 HZ PHE 52 HZ PHE 52 4.697 -6.849 -11.834 419 H LEU 53 H LEU 53 7.178 -0.187 -16.465 420 HA LEU 53 HA LEU 53 5.492 0.054 -18.739 421 HB2 LEU 53 HB2 LEU 53 7.997 1.611 -18.173 422 HB3 LEU 53 HB3 LEU 53 6.793 2.037 -19.355 423 HG LEU 53 HG LEU 53 6.847 2.489 -16.472 424 HD11 LEU 53 HD11 LEU 53 7.005 4.221 -18.098 425 HD12 LEU 53 HD12 LEU 53 5.645 4.414 -16.976 426 HD13 LEU 53 HD13 LEU 53 5.351 3.802 -18.622 427 HD21 LEU 53 HD21 LEU 53 4.398 2.583 -16.155 428 HD22 LEU 53 HD22 LEU 53 4.939 0.935 -16.359 429 HD23 LEU 53 HD23 LEU 53 4.162 1.786 -17.715 430 H GLN 54 H GLN 54 8.869 -0.911 -18.446 431 HA GLN 54 HA GLN 54 9.720 -0.844 -21.117 432 HB2 GLN 54 HB2 GLN 54 10.233 -2.768 -18.842 433 HB3 GLN 54 HB3 GLN 54 11.188 -2.801 -20.317 434 HG2 GLN 54 HG2 GLN 54 10.897 -0.135 -18.923 435 HG3 GLN 54 HG3 GLN 54 11.708 -1.341 -18.025 436 HE21 GLN 54 HE21 GLN 54 13.069 0.990 -18.801 437 HE22 GLN 54 HE22 GLN 54 14.088 0.724 -20.209 438 H GLN 55 H GLN 55 8.313 -3.439 -19.291 439 HA GLN 55 HA GLN 55 7.905 -5.412 -21.338 440 HB2 GLN 55 HB2 GLN 55 6.181 -5.148 -18.876 441 HB3 GLN 55 HB3 GLN 55 6.669 -6.617 -19.701 442 HG2 GLN 55 HG2 GLN 55 8.995 -6.280 -18.830 443 HG3 GLN 55 HG3 GLN 55 8.460 -4.823 -17.987 444 HE21 GLN 55 HE21 GLN 55 8.652 -8.253 -17.900 445 HE22 GLN 55 HE22 GLN 55 7.825 -8.510 -16.369 446 H LEU 56 H LEU 56 5.807 -2.836 -20.100 447 HA LEU 56 HA LEU 56 3.347 -3.561 -21.313 448 HB2 LEU 56 HB2 LEU 56 4.546 -1.266 -19.994 449 HB3 LEU 56 HB3 LEU 56 3.551 -0.747 -21.345 450 HG LEU 56 HG LEU 56 1.700 -2.248 -20.417 451 HD11 LEU 56 HD11 LEU 56 1.766 -2.740 -18.002 452 HD12 LEU 56 HD12 LEU 56 3.420 -2.112 -17.896 453 HD13 LEU 56 HD13 LEU 56 3.083 -3.586 -18.832 454 HD21 LEU 56 HD21 LEU 56 1.692 0.197 -20.262 455 HD22 LEU 56 HD22 LEU 56 2.637 0.126 -18.758 456 HD23 LEU 56 HD23 LEU 56 0.980 -0.532 -18.813 457 H ASP 57 H ASP 57 6.245 -2.040 -22.640 458 HA ASP 57 HA ASP 57 4.886 -1.391 -25.187 459 HB2 ASP 57 HB2 ASP 57 6.513 0.116 -23.895 460 HB3 ASP 57 HB3 ASP 57 7.795 -0.933 -24.486 461 H ALA 58 H ALA 58 6.863 -3.848 -23.831 462 HA ALA 58 HA ALA 58 8.158 -5.537 -24.646 463 HB1 ALA 58 HB1 ALA 58 5.570 -5.803 -26.186 464 HB2 ALA 58 HB2 ALA 58 6.748 -7.114 -25.893 465 HB3 ALA 58 HB3 ALA 58 5.918 -6.352 -24.522 466 H LYS 59 H LYS 59 9.260 -3.510 -25.713 467 HA LYS 59 HA LYS 59 9.559 -3.577 -28.594 468 HB2 LYS 59 HB2 LYS 59 11.248 -1.746 -28.064 469 HB3 LYS 59 HB3 LYS 59 9.609 -1.471 -27.530 470 HG2 LYS 59 HG2 LYS 59 11.117 -0.680 -25.876 471 HG3 LYS 59 HG3 LYS 59 10.213 -2.032 -25.206 472 HD2 LYS 59 HD2 LYS 59 12.203 -3.512 -25.599 473 HD3 LYS 59 HD3 LYS 59 13.092 -2.118 -26.227 474 HE2 LYS 59 HE2 LYS 59 11.974 -2.502 -23.409 475 HE3 LYS 59 HE3 LYS 59 13.655 -2.675 -23.907 476 HZ1 LYS 59 HZ1 LYS 59 13.628 -0.617 -23.076 477 HZ2 LYS 59 HZ2 LYS 59 12.098 -0.244 -23.600 478 HZ3 LYS 59 HZ3 LYS 59 13.380 -0.247 -24.658 479 H GLU 60 H GLU 60 12.134 -3.223 -29.070 480 HA GLU 60 HA GLU 60 13.325 -5.753 -29.354 481 HB2 GLU 60 HB2 GLU 60 14.236 -2.867 -29.518 482 HB3 GLU 60 HB3 GLU 60 15.447 -4.118 -29.610 483 HG2 GLU 60 HG2 GLU 60 13.043 -4.319 -31.440 484 HG3 GLU 60 HG3 GLU 60 14.317 -3.145 -31.788 485 H GLU 61 H GLU 61 14.103 -7.070 -27.689 486 HA GLU 61 HA GLU 61 15.948 -5.864 -25.748 487 HB2 GLU 61 HB2 GLU 61 14.830 -6.720 -23.831 488 HB3 GLU 61 HB3 GLU 61 13.667 -5.758 -24.738 489 HG2 GLU 61 HG2 GLU 61 12.824 -7.974 -25.737 490 HG3 GLU 61 HG3 GLU 61 13.830 -8.798 -24.533 491 H THR 62 H THR 62 16.849 -7.674 -24.308 492 HA THR 62 HA THR 62 18.036 -9.680 -26.012 493 HB THR 62 HB THR 62 19.065 -10.122 -23.575 494 HG1 THR 62 HG1 THR 62 17.711 -8.775 -22.374 495 HG21 THR 62 HG21 THR 62 20.273 -9.182 -25.506 496 HG22 THR 62 HG22 THR 62 20.687 -8.311 -24.026 497 HG23 THR 62 HG23 THR 62 19.570 -7.581 -25.197 498 H GLN 63 H GLN 63 16.330 -11.016 -26.627 499 HA GLN 63 HA GLN 63 14.545 -12.199 -24.635 500 HB2 GLN 63 HB2 GLN 63 13.892 -11.476 -27.007 501 HB3 GLN 63 HB3 GLN 63 14.815 -12.854 -27.602 502 HG2 GLN 63 HG2 GLN 63 13.326 -14.327 -26.142 503 HG3 GLN 63 HG3 GLN 63 12.360 -12.902 -25.800 504 HE21 GLN 63 HE21 GLN 63 10.579 -12.661 -27.156 505 HE22 GLN 63 HE22 GLN 63 10.457 -13.377 -28.766 Start of MODEL 2 1 H1 MET 1 H MET 1 2.174 -0.613 0.310 2 HA MET 1 HA MET 1 3.113 0.413 -1.681 3 HB2 MET 1 HB2 MET 1 2.796 -2.516 -2.312 4 HB3 MET 1 HB3 MET 1 4.144 -1.460 -2.711 5 HG2 MET 1 HG2 MET 1 3.409 -2.091 0.125 6 HG3 MET 1 HG3 MET 1 4.470 -3.130 -0.823 7 HE1 MET 1 HE1 MET 1 5.314 0.556 1.450 8 HE2 MET 1 HE2 MET 1 3.973 -0.589 1.466 9 HE3 MET 1 HE3 MET 1 5.552 -1.070 2.090 10 H LYS 2 H LYS 2 2.958 0.835 -3.900 11 HA LYS 2 HA LYS 2 0.430 0.032 -5.177 12 HB2 LYS 2 HB2 LYS 2 0.335 2.378 -4.337 13 HB3 LYS 2 HB3 LYS 2 1.702 2.768 -5.374 14 HG2 LYS 2 HG2 LYS 2 0.382 2.210 -7.343 15 HG3 LYS 2 HG3 LYS 2 -0.987 1.787 -6.313 16 HD2 LYS 2 HD2 LYS 2 -0.713 4.197 -5.392 17 HD3 LYS 2 HD3 LYS 2 0.203 4.477 -6.875 18 HE2 LYS 2 HE2 LYS 2 -1.867 5.034 -7.633 19 HE3 LYS 2 HE3 LYS 2 -1.924 3.300 -7.947 20 HZ1 LYS 2 HZ1 LYS 2 -3.928 4.021 -6.847 21 HZ2 LYS 2 HZ2 LYS 2 -3.041 4.684 -5.569 22 HZ3 LYS 2 HZ3 LYS 2 -3.051 3.010 -5.812 23 H ASN 3 H ASN 3 1.245 -1.452 -6.577 24 HA ASN 3 HA ASN 3 3.684 -1.277 -7.942 25 HB2 ASN 3 HB2 ASN 3 2.256 -2.834 -9.614 26 HB3 ASN 3 HB3 ASN 3 2.918 -3.416 -8.090 27 HD21 ASN 3 HD21 ASN 3 0.212 -3.273 -9.947 28 HD22 ASN 3 HD22 ASN 3 -0.986 -3.546 -8.732 29 H ALA 4 H ALA 4 4.050 -0.960 -10.241 30 HA ALA 4 HA ALA 4 3.300 1.500 -11.197 31 HB1 ALA 4 HB1 ALA 4 4.103 -0.934 -12.786 32 HB2 ALA 4 HB2 ALA 4 4.049 0.712 -13.419 33 HB3 ALA 4 HB3 ALA 4 5.174 0.302 -12.125 34 H ALA 5 H ALA 5 1.764 -1.626 -11.841 35 HA ALA 5 HA ALA 5 -0.059 -0.892 -13.782 36 HB1 ALA 5 HB1 ALA 5 -1.478 -2.665 -12.214 37 HB2 ALA 5 HB2 ALA 5 -0.374 -3.084 -13.525 38 HB3 ALA 5 HB3 ALA 5 0.206 -3.053 -11.860 39 H GLN 6 H GLN 6 -0.204 -0.394 -10.301 40 HA GLN 6 HA GLN 6 -2.904 0.594 -10.348 41 HB2 GLN 6 HB2 GLN 6 -0.759 0.489 -8.240 42 HB3 GLN 6 HB3 GLN 6 -2.285 1.317 -7.964 43 HG2 GLN 6 HG2 GLN 6 -3.432 -0.845 -8.555 44 HG3 GLN 6 HG3 GLN 6 -1.842 -1.604 -8.498 45 HE21 GLN 6 HE21 GLN 6 -0.644 -1.405 -6.472 46 HE22 GLN 6 HE22 GLN 6 -1.525 -1.388 -4.985 47 H ILE 7 H ILE 7 0.332 1.991 -10.247 48 HA ILE 7 HA ILE 7 -0.453 4.669 -9.827 49 HB ILE 7 HB ILE 7 2.001 3.861 -11.368 50 HG12 ILE 7 HG12 ILE 7 1.370 3.512 -8.462 51 HG13 ILE 7 HG13 ILE 7 2.239 2.435 -9.551 52 HG21 ILE 7 HG21 ILE 7 2.947 5.859 -10.541 53 HG22 ILE 7 HG22 ILE 7 1.320 6.282 -11.073 54 HG23 ILE 7 HG23 ILE 7 1.658 6.068 -9.356 55 HD11 ILE 7 HD11 ILE 7 3.982 4.399 -9.564 56 HD12 ILE 7 HD12 ILE 7 3.214 4.784 -8.024 57 HD13 ILE 7 HD13 ILE 7 3.955 3.202 -8.270 58 H VAL 8 H VAL 8 0.467 2.969 -12.824 59 HA VAL 8 HA VAL 8 0.008 5.063 -14.600 60 HB VAL 8 HB VAL 8 -0.331 2.099 -15.078 61 HG11 VAL 8 HG11 VAL 8 -1.068 2.616 -17.108 62 HG12 VAL 8 HG12 VAL 8 -0.907 4.339 -16.762 63 HG13 VAL 8 HG13 VAL 8 0.458 3.439 -17.425 64 HG21 VAL 8 HG21 VAL 8 1.961 2.516 -16.204 65 HG22 VAL 8 HG22 VAL 8 2.008 3.965 -15.200 66 HG23 VAL 8 HG23 VAL 8 1.887 2.375 -14.447 67 H ASP 9 H ASP 9 -2.220 2.631 -13.328 68 HA ASP 9 HA ASP 9 -4.430 3.255 -14.942 69 HB2 ASP 9 HB2 ASP 9 -3.900 1.651 -12.590 70 HB3 ASP 9 HB3 ASP 9 -5.459 2.460 -12.461 71 H GLU 10 H GLU 10 -3.314 4.603 -11.878 72 HA GLU 10 HA GLU 10 -5.578 6.221 -11.381 73 HB2 GLU 10 HB2 GLU 10 -2.782 6.096 -10.365 74 HB3 GLU 10 HB3 GLU 10 -3.690 7.573 -10.072 75 HG2 GLU 10 HG2 GLU 10 -4.804 4.882 -9.372 76 HG3 GLU 10 HG3 GLU 10 -3.735 5.760 -8.279 77 H ALA 11 H ALA 11 -2.543 6.798 -13.092 78 HA ALA 11 HA ALA 11 -2.991 9.565 -13.557 79 HB1 ALA 11 HB1 ALA 11 -0.846 7.932 -13.817 80 HB2 ALA 11 HB2 ALA 11 -1.321 8.135 -15.504 81 HB3 ALA 11 HB3 ALA 11 -0.958 9.549 -14.513 82 H LEU 12 H LEU 12 -3.606 6.639 -15.450 83 HA LEU 12 HA LEU 12 -4.372 7.794 -17.853 84 HB2 LEU 12 HB2 LEU 12 -4.147 5.496 -17.916 85 HB3 LEU 12 HB3 LEU 12 -5.098 5.261 -16.451 86 HG LEU 12 HG LEU 12 -7.134 5.872 -17.762 87 HD11 LEU 12 HD11 LEU 12 -6.417 5.336 -20.355 88 HD12 LEU 12 HD12 LEU 12 -5.101 6.364 -19.790 89 HD13 LEU 12 HD13 LEU 12 -6.767 6.932 -19.690 90 HD21 LEU 12 HD21 LEU 12 -6.266 3.631 -19.335 91 HD22 LEU 12 HD22 LEU 12 -7.418 3.684 -18.001 92 HD23 LEU 12 HD23 LEU 12 -5.698 3.469 -17.673 93 H ASN 13 H ASN 13 -6.186 7.378 -14.874 94 HA ASN 13 HA ASN 13 -8.756 7.920 -15.801 95 HB2 ASN 13 HB2 ASN 13 -7.699 7.350 -13.373 96 HB3 ASN 13 HB3 ASN 13 -8.046 9.064 -13.167 97 HD21 ASN 13 HD21 ASN 13 -9.244 6.212 -12.469 98 HD22 ASN 13 HD22 ASN 13 -10.940 6.511 -12.601 99 H GLN 14 H GLN 14 -6.104 10.082 -15.031 100 HA GLN 14 HA GLN 14 -7.735 12.454 -15.311 101 HB2 GLN 14 HB2 GLN 14 -4.738 12.477 -15.272 102 HB3 GLN 14 HB3 GLN 14 -5.864 13.671 -14.640 103 HG2 GLN 14 HG2 GLN 14 -6.525 11.679 -13.041 104 HG3 GLN 14 HG3 GLN 14 -4.889 11.148 -13.426 105 HE21 GLN 14 HE21 GLN 14 -4.403 11.469 -11.194 106 HE22 GLN 14 HE22 GLN 14 -4.063 13.052 -10.594 107 H GLY 15 H GLY 15 -6.411 10.312 -17.447 108 HA2 GLY 15 HA2 GLY 15 -6.595 10.529 -19.790 109 HA3 GLY 15 HA3 GLY 15 -6.573 12.276 -19.607 110 H ILE 16 H ILE 16 -4.197 10.619 -17.808 111 HA ILE 16 HA ILE 16 -2.177 11.255 -19.860 112 HB ILE 16 HB ILE 16 -1.931 12.834 -18.073 113 HG12 ILE 16 HG12 ILE 16 0.088 11.328 -19.008 114 HG13 ILE 16 HG13 ILE 16 0.328 12.624 -17.841 115 HG21 ILE 16 HG21 ILE 16 -1.499 12.074 -15.742 116 HG22 ILE 16 HG22 ILE 16 -3.131 11.736 -16.315 117 HG23 ILE 16 HG23 ILE 16 -1.937 10.441 -16.243 118 HD11 ILE 16 HD11 ILE 16 0.586 11.145 -16.072 119 HD12 ILE 16 HD12 ILE 16 -0.177 9.816 -16.946 120 HD13 ILE 16 HD13 ILE 16 1.436 10.361 -17.403 121 H THR 17 H THR 17 -0.958 9.612 -20.513 122 HA THR 17 HA THR 17 -1.001 7.130 -18.937 123 HB THR 17 HB THR 17 -0.247 7.458 -21.846 124 HG1 THR 17 HG1 THR 17 -2.311 6.953 -22.325 125 HG21 THR 17 HG21 THR 17 0.751 5.484 -20.984 126 HG22 THR 17 HG22 THR 17 -0.703 4.967 -21.838 127 HG23 THR 17 HG23 THR 17 -0.701 5.062 -20.077 128 H LEU 18 H LEU 18 0.944 5.884 -18.748 129 HA LEU 18 HA LEU 18 3.361 7.562 -18.788 130 HB2 LEU 18 HB2 LEU 18 2.648 5.176 -17.093 131 HB3 LEU 18 HB3 LEU 18 4.230 5.952 -17.092 132 HG LEU 18 HG LEU 18 3.101 6.748 -15.181 133 HD11 LEU 18 HD11 LEU 18 2.730 8.865 -17.291 134 HD12 LEU 18 HD12 LEU 18 4.272 8.456 -16.542 135 HD13 LEU 18 HD13 LEU 18 2.963 9.113 -15.561 136 HD21 LEU 18 HD21 LEU 18 0.890 6.874 -15.003 137 HD22 LEU 18 HD22 LEU 18 0.783 6.271 -16.658 138 HD23 LEU 18 HD23 LEU 18 0.788 8.009 -16.350 139 H PHE 19 H PHE 19 5.110 6.946 -19.923 140 HA PHE 19 HA PHE 19 5.245 4.214 -20.967 141 HB2 PHE 19 HB2 PHE 19 4.958 6.706 -22.554 142 HB3 PHE 19 HB3 PHE 19 6.123 5.526 -23.145 143 HD1 PHE 19 HD1 PHE 19 2.973 6.606 -23.679 144 HD2 PHE 19 HD2 PHE 19 5.025 2.980 -22.806 145 HE1 PHE 19 HE1 PHE 19 1.143 5.325 -24.711 146 HE2 PHE 19 HE2 PHE 19 3.199 1.694 -23.838 147 HZ PHE 19 HZ PHE 19 1.255 2.867 -24.793 148 H VAL 20 H VAL 20 7.396 3.721 -21.918 149 HA VAL 20 HA VAL 20 9.506 5.213 -20.500 150 HB VAL 20 HB VAL 20 9.014 2.330 -20.839 151 HG11 VAL 20 HG11 VAL 20 11.765 3.502 -21.198 152 HG12 VAL 20 HG12 VAL 20 11.471 1.825 -20.733 153 HG13 VAL 20 HG13 VAL 20 10.898 2.423 -22.291 154 HG21 VAL 20 HG21 VAL 20 10.596 3.966 -18.857 155 HG22 VAL 20 HG22 VAL 20 8.929 3.420 -18.666 156 HG23 VAL 20 HG23 VAL 20 10.242 2.244 -18.712 157 H ALA 21 H ALA 21 11.329 5.830 -21.584 158 HA ALA 21 HA ALA 21 11.930 4.895 -24.231 159 HB1 ALA 21 HB1 ALA 21 11.575 7.796 -24.351 160 HB2 ALA 21 HB2 ALA 21 11.142 6.548 -25.520 161 HB3 ALA 21 HB3 ALA 21 10.071 6.894 -24.162 162 H ASP 22 H ASP 22 14.043 5.190 -24.713 163 HA ASP 22 HA ASP 22 16.234 5.753 -24.474 164 HB2 ASP 22 HB2 ASP 22 15.028 8.110 -24.565 165 HB3 ASP 22 HB3 ASP 22 15.561 8.192 -22.888 166 H ASN 23 H ASN 23 14.779 4.230 -22.406 167 HA ASN 23 HA ASN 23 15.231 3.234 -20.412 168 HB2 ASN 23 HB2 ASN 23 17.571 3.249 -21.372 169 HB3 ASN 23 HB3 ASN 23 17.861 4.721 -20.450 170 HD21 ASN 23 HD21 ASN 23 16.644 1.420 -20.013 171 HD22 ASN 23 HD22 ASN 23 17.390 1.166 -18.476 172 H ARG 24 H ARG 24 13.821 5.716 -20.464 173 HA ARG 24 HA ARG 24 14.268 6.533 -17.698 174 HB2 ARG 24 HB2 ARG 24 14.631 8.749 -18.095 175 HB3 ARG 24 HB3 ARG 24 15.346 8.101 -19.565 176 HG2 ARG 24 HG2 ARG 24 13.091 8.446 -20.657 177 HG3 ARG 24 HG3 ARG 24 12.648 9.371 -19.220 178 HD2 ARG 24 HD2 ARG 24 15.226 10.135 -20.362 179 HD3 ARG 24 HD3 ARG 24 13.869 10.379 -21.460 180 HE ARG 24 HE ARG 24 13.125 11.426 -19.000 181 HH11 ARG 24 HH11 ARG 24 15.534 12.011 -21.445 182 HH12 ARG 24 HH12 ARG 24 15.648 13.707 -21.111 183 HH21 ARG 24 HH21 ARG 24 13.266 13.658 -18.552 184 HH22 ARG 24 HH22 ARG 24 14.359 14.643 -19.465 185 H LEU 25 H LEU 25 12.429 7.699 -16.784 186 HA LEU 25 HA LEU 25 9.951 6.546 -17.654 187 HB2 LEU 25 HB2 LEU 25 10.584 6.883 -15.271 188 HB3 LEU 25 HB3 LEU 25 10.422 8.621 -15.519 189 HG LEU 25 HG LEU 25 8.490 7.445 -14.378 190 HD11 LEU 25 HD11 LEU 25 7.310 9.222 -14.992 191 HD12 LEU 25 HD12 LEU 25 7.165 8.631 -16.647 192 HD13 LEU 25 HD13 LEU 25 8.575 9.577 -16.169 193 HD21 LEU 25 HD21 LEU 25 8.426 5.455 -15.779 194 HD22 LEU 25 HD22 LEU 25 8.025 6.441 -17.185 195 HD23 LEU 25 HD23 LEU 25 6.887 6.314 -15.843 196 H GLN 26 H GLN 26 8.318 7.465 -18.761 197 HA GLN 26 HA GLN 26 8.438 10.347 -19.308 198 HB2 GLN 26 HB2 GLN 26 8.694 8.150 -21.229 199 HB3 GLN 26 HB3 GLN 26 7.451 9.318 -21.660 200 HG2 GLN 26 HG2 GLN 26 8.972 10.754 -22.368 201 HG3 GLN 26 HG3 GLN 26 9.815 10.693 -20.821 202 HE21 GLN 26 HE21 GLN 26 10.560 8.005 -20.835 203 HE22 GLN 26 HE22 GLN 26 11.741 7.768 -22.073 204 H TYR 27 H TYR 27 6.311 10.912 -20.640 205 HA TYR 27 HA TYR 27 3.999 9.382 -19.836 206 HB2 TYR 27 HB2 TYR 27 3.126 11.736 -18.844 207 HB3 TYR 27 HB3 TYR 27 3.842 10.473 -17.850 208 HD1 TYR 27 HD1 TYR 27 5.957 10.786 -16.790 209 HD2 TYR 27 HD2 TYR 27 4.486 13.700 -19.520 210 HE1 TYR 27 HE1 TYR 27 7.707 12.350 -16.054 211 HE2 TYR 27 HE2 TYR 27 6.232 15.271 -18.793 212 HH TYR 27 HH TYR 27 8.210 15.432 -17.660 213 H GLU 28 H GLU 28 2.200 9.831 -21.059 214 HA GLU 28 HA GLU 28 2.403 12.053 -22.975 215 HB2 GLU 28 HB2 GLU 28 3.033 10.112 -24.224 216 HB3 GLU 28 HB3 GLU 28 1.696 9.180 -23.564 217 HG2 GLU 28 HG2 GLU 28 0.339 9.848 -25.178 218 HG3 GLU 28 HG3 GLU 28 0.725 11.542 -24.882 219 H THR 29 H THR 29 0.721 13.357 -22.773 220 HA THR 29 HA THR 29 -1.916 12.203 -22.181 221 HB THR 29 HB THR 29 -1.016 13.134 -20.084 222 HG1 THR 29 HG1 THR 29 -3.208 13.302 -20.213 223 HG21 THR 29 HG21 THR 29 -1.196 15.888 -20.448 224 HG22 THR 29 HG22 THR 29 -0.280 15.316 -21.842 225 HG23 THR 29 HG23 THR 29 0.278 14.951 -20.209 226 H SER 30 H SER 30 -3.718 13.568 -22.804 227 HA SER 30 HA SER 30 -3.026 15.280 -25.093 228 HB2 SER 30 HB2 SER 30 -4.696 13.113 -25.026 229 HB3 SER 30 HB3 SER 30 -5.833 14.442 -24.804 230 HG SER 30 HG SER 30 -5.654 14.748 -26.864 231 H ARG 31 H ARG 31 -3.265 15.943 -22.132 232 HA ARG 31 HA ARG 31 -5.524 17.762 -22.065 233 HB2 ARG 31 HB2 ARG 31 -3.326 17.406 -20.022 234 HB3 ARG 31 HB3 ARG 31 -4.872 18.208 -19.780 235 HG2 ARG 31 HG2 ARG 31 -6.057 16.174 -19.871 236 HG3 ARG 31 HG3 ARG 31 -4.662 15.305 -20.513 237 HD2 ARG 31 HD2 ARG 31 -4.860 14.724 -18.214 238 HD3 ARG 31 HD3 ARG 31 -3.476 15.806 -18.364 239 HE ARG 31 HE ARG 31 -5.638 17.411 -17.767 240 HH11 ARG 31 HH11 ARG 31 -3.961 14.748 -16.279 241 HH12 ARG 31 HH12 ARG 31 -4.319 15.256 -14.661 242 HH21 ARG 31 HH21 ARG 31 -6.116 18.091 -15.643 243 HH22 ARG 31 HH22 ARG 31 -5.546 17.157 -14.301 244 H ASP 32 H ASP 32 -5.073 20.034 -21.211 245 HA ASP 32 HA ASP 32 -3.470 21.398 -23.107 246 HB2 ASP 32 HB2 ASP 32 -5.527 22.085 -21.373 247 HB3 ASP 32 HB3 ASP 32 -4.141 22.975 -20.750 248 H ASN 33 H ASN 33 -2.869 20.179 -19.925 249 HA ASN 33 HA ASN 33 -0.088 20.499 -20.116 250 HB2 ASN 33 HB2 ASN 33 -1.019 22.916 -19.648 251 HB3 ASN 33 HB3 ASN 33 -1.143 22.328 -17.993 252 HD21 ASN 33 HD21 ASN 33 0.733 24.071 -19.914 253 HD22 ASN 33 HD22 ASN 33 2.290 23.738 -19.243 254 H ILE 34 H ILE 34 1.044 19.717 -18.229 255 HA ILE 34 HA ILE 34 -0.683 18.028 -16.552 256 HB ILE 34 HB ILE 34 1.073 16.936 -18.007 257 HG12 ILE 34 HG12 ILE 34 1.988 15.575 -15.956 258 HG13 ILE 34 HG13 ILE 34 0.862 16.571 -15.040 259 HG21 ILE 34 HG21 ILE 34 3.357 17.082 -17.464 260 HG22 ILE 34 HG22 ILE 34 2.777 18.746 -17.489 261 HG23 ILE 34 HG23 ILE 34 3.026 17.923 -15.949 262 HD11 ILE 34 HD11 ILE 34 -0.822 15.272 -15.634 263 HD12 ILE 34 HD12 ILE 34 -0.451 15.500 -17.343 264 HD13 ILE 34 HD13 ILE 34 0.330 14.205 -16.437 265 HA PRO 35 HA PRO 35 0.389 20.632 -13.124 266 HB2 PRO 35 HB2 PRO 35 -0.701 19.069 -11.190 267 HB3 PRO 35 HB3 PRO 35 -1.671 20.078 -12.270 268 HG2 PRO 35 HG2 PRO 35 -1.093 17.145 -12.429 269 HG3 PRO 35 HG3 PRO 35 -2.625 18.000 -12.692 270 HD2 PRO 35 HD2 PRO 35 -1.060 17.152 -14.733 271 HD3 PRO 35 HD3 PRO 35 -2.056 18.618 -14.838 272 H GLU 36 H GLU 36 1.964 20.716 -11.560 273 HA GLU 36 HA GLU 36 4.152 19.009 -11.729 274 HB2 GLU 36 HB2 GLU 36 4.887 20.075 -9.582 275 HB3 GLU 36 HB3 GLU 36 4.445 21.212 -10.847 276 HG2 GLU 36 HG2 GLU 36 2.167 21.332 -9.748 277 HG3 GLU 36 HG3 GLU 36 2.892 20.476 -8.389 278 H GLU 37 H GLU 37 1.475 19.034 -9.411 279 HA GLU 37 HA GLU 37 2.367 17.122 -7.624 280 HB2 GLU 37 HB2 GLU 37 -0.139 16.580 -7.377 281 HB3 GLU 37 HB3 GLU 37 0.394 18.218 -7.022 282 HG2 GLU 37 HG2 GLU 37 -0.367 18.967 -9.196 283 HG3 GLU 37 HG3 GLU 37 -0.838 17.322 -9.618 284 H LEU 38 H LEU 38 0.987 16.709 -10.819 285 HA LEU 38 HA LEU 38 0.609 13.888 -10.614 286 HB2 LEU 38 HB2 LEU 38 0.446 15.938 -12.733 287 HB3 LEU 38 HB3 LEU 38 0.772 14.291 -13.269 288 HG LEU 38 HG LEU 38 -1.682 15.221 -13.124 289 HD11 LEU 38 HD11 LEU 38 -0.512 12.562 -12.715 290 HD12 LEU 38 HD12 LEU 38 -1.732 13.105 -13.866 291 HD13 LEU 38 HD13 LEU 38 -2.194 12.721 -12.208 292 HD21 LEU 38 HD21 LEU 38 -2.768 15.044 -11.096 293 HD22 LEU 38 HD22 LEU 38 -1.209 15.711 -10.611 294 HD23 LEU 38 HD23 LEU 38 -1.535 13.989 -10.406 295 H LEU 39 H LEU 39 3.124 15.948 -12.036 296 HA LEU 39 HA LEU 39 4.709 13.826 -13.033 297 HB2 LEU 39 HB2 LEU 39 5.496 16.632 -12.260 298 HB3 LEU 39 HB3 LEU 39 6.493 15.516 -13.191 299 HG LEU 39 HG LEU 39 3.802 16.508 -14.117 300 HD11 LEU 39 HD11 LEU 39 4.716 18.451 -14.656 301 HD12 LEU 39 HD12 LEU 39 5.926 17.614 -15.629 302 HD13 LEU 39 HD13 LEU 39 6.243 17.950 -13.927 303 HD21 LEU 39 HD21 LEU 39 4.121 14.782 -15.517 304 HD22 LEU 39 HD22 LEU 39 5.843 14.669 -15.151 305 HD23 LEU 39 HD23 LEU 39 5.264 15.865 -16.312 306 H ASN 40 H ASN 40 4.838 15.709 -10.028 307 HA ASN 40 HA ASN 40 7.158 14.541 -8.970 308 HB2 ASN 40 HB2 ASN 40 4.795 15.941 -7.753 309 HB3 ASN 40 HB3 ASN 40 6.028 15.220 -6.721 310 HD21 ASN 40 HD21 ASN 40 5.126 17.920 -8.484 311 HD22 ASN 40 HD22 ASN 40 6.628 18.774 -8.435 312 H GLU 41 H GLU 41 3.825 13.481 -9.008 313 HA GLU 41 HA GLU 41 4.099 11.449 -7.037 314 HB2 GLU 41 HB2 GLU 41 2.022 12.495 -8.697 315 HB3 GLU 41 HB3 GLU 41 2.055 10.747 -8.883 316 HG2 GLU 41 HG2 GLU 41 0.826 10.654 -7.043 317 HG3 GLU 41 HG3 GLU 41 2.284 11.105 -6.161 318 H TRP 42 H TRP 42 4.010 11.339 -10.596 319 HA TRP 42 HA TRP 42 4.551 8.566 -10.773 320 HB2 TRP 42 HB2 TRP 42 5.197 10.598 -12.907 321 HB3 TRP 42 HB3 TRP 42 4.764 8.903 -13.114 322 HD1 TRP 42 HD1 TRP 42 3.224 11.537 -14.383 323 HE1 TRP 42 HE1 TRP 42 0.680 11.691 -14.023 324 HE3 TRP 42 HE3 TRP 42 2.775 8.376 -10.390 325 HZ2 TRP 42 HZ2 TRP 42 -1.260 10.615 -12.278 326 HZ3 TRP 42 HZ3 TRP 42 0.540 7.993 -9.434 327 HH2 TRP 42 HH2 TRP 42 -1.434 9.090 -10.360 328 H LYS 43 H LYS 43 6.609 11.436 -10.870 329 HA LYS 43 HA LYS 43 9.013 10.168 -11.567 330 HB2 LYS 43 HB2 LYS 43 8.441 12.686 -10.009 331 HB3 LYS 43 HB3 LYS 43 10.075 12.168 -10.401 332 HG2 LYS 43 HG2 LYS 43 9.719 12.442 -12.711 333 HG3 LYS 43 HG3 LYS 43 7.970 12.568 -12.504 334 HD2 LYS 43 HD2 LYS 43 8.354 14.782 -12.629 335 HD3 LYS 43 HD3 LYS 43 8.825 14.611 -10.937 336 HE2 LYS 43 HE2 LYS 43 11.129 13.945 -12.259 337 HE3 LYS 43 HE3 LYS 43 10.451 15.198 -13.297 338 HZ1 LYS 43 HZ1 LYS 43 11.393 15.388 -10.527 339 HZ2 LYS 43 HZ2 LYS 43 10.144 16.415 -11.023 340 HZ3 LYS 43 HZ3 LYS 43 11.634 16.450 -11.822 341 H TYR 44 H TYR 44 7.351 10.495 -8.508 342 HA TYR 44 HA TYR 44 9.446 9.850 -6.768 343 HB2 TYR 44 HB2 TYR 44 7.053 10.666 -6.238 344 HB3 TYR 44 HB3 TYR 44 6.608 8.964 -6.301 345 HD1 TYR 44 HD1 TYR 44 8.422 11.533 -4.433 346 HD2 TYR 44 HD2 TYR 44 7.392 7.408 -4.598 347 HE1 TYR 44 HE1 TYR 44 9.138 11.267 -2.095 348 HE2 TYR 44 HE2 TYR 44 8.104 7.131 -2.261 349 HH TYR 44 HH TYR 44 8.872 8.136 -0.438 350 H TYR 45 H TYR 45 7.312 7.819 -8.685 351 HA TYR 45 HA TYR 45 8.846 5.465 -7.792 352 HB2 TYR 45 HB2 TYR 45 5.950 5.710 -8.601 353 HB3 TYR 45 HB3 TYR 45 6.781 4.161 -8.520 354 HD1 TYR 45 HD1 TYR 45 7.723 3.404 -6.307 355 HD2 TYR 45 HD2 TYR 45 5.106 6.740 -6.653 356 HE1 TYR 45 HE1 TYR 45 7.232 3.261 -3.901 357 HE2 TYR 45 HE2 TYR 45 4.609 6.608 -4.248 358 HH TYR 45 HH TYR 45 4.812 5.341 -2.394 359 H ARG 46 H ARG 46 9.429 7.349 -9.985 360 HA ARG 46 HA ARG 46 8.763 6.449 -12.503 361 HB2 ARG 46 HB2 ARG 46 10.475 7.764 -13.296 362 HB3 ARG 46 HB3 ARG 46 10.282 8.438 -11.683 363 HG2 ARG 46 HG2 ARG 46 12.266 6.265 -12.256 364 HG3 ARG 46 HG3 ARG 46 12.649 7.971 -12.498 365 HD2 ARG 46 HD2 ARG 46 12.410 8.462 -10.218 366 HD3 ARG 46 HD3 ARG 46 11.541 6.961 -9.899 367 HE ARG 46 HE ARG 46 13.981 6.122 -10.738 368 HH11 ARG 46 HH11 ARG 46 12.900 8.330 -8.273 369 HH12 ARG 46 HH12 ARG 46 14.247 8.026 -7.226 370 HH21 ARG 46 HH21 ARG 46 15.759 5.714 -9.369 371 HH22 ARG 46 HH22 ARG 46 15.873 6.538 -7.851 372 H GLN 47 H GLN 47 11.105 5.139 -10.242 373 HA GLN 47 HA GLN 47 12.352 3.355 -12.069 374 HB2 GLN 47 HB2 GLN 47 13.344 4.112 -9.902 375 HB3 GLN 47 HB3 GLN 47 12.173 3.103 -9.064 376 HG2 GLN 47 HG2 GLN 47 14.477 2.133 -9.359 377 HG3 GLN 47 HG3 GLN 47 13.131 1.122 -9.885 378 HE21 GLN 47 HE21 GLN 47 12.858 0.689 -12.051 379 HE22 GLN 47 HE22 GLN 47 14.064 1.044 -13.236 380 H ASP 48 H ASP 48 9.763 2.968 -9.676 381 HA ASP 48 HA ASP 48 9.366 0.200 -10.144 382 HB2 ASP 48 HB2 ASP 48 8.555 1.797 -8.191 383 HB3 ASP 48 HB3 ASP 48 7.119 1.926 -9.203 384 H LEU 49 H LEU 49 8.119 3.106 -11.635 385 HA LEU 49 HA LEU 49 6.013 1.818 -13.074 386 HB2 LEU 49 HB2 LEU 49 7.280 4.504 -13.069 387 HB3 LEU 49 HB3 LEU 49 6.358 4.032 -14.495 388 HG LEU 49 HG LEU 49 4.879 3.538 -12.051 389 HD11 LEU 49 HD11 LEU 49 5.113 6.439 -12.532 390 HD12 LEU 49 HD12 LEU 49 6.464 5.675 -11.694 391 HD13 LEU 49 HD13 LEU 49 4.833 5.551 -11.034 392 HD21 LEU 49 HD21 LEU 49 3.240 3.877 -13.506 393 HD22 LEU 49 HD22 LEU 49 4.441 4.247 -14.744 394 HD23 LEU 49 HD23 LEU 49 3.764 5.542 -13.756 395 H ILE 50 H ILE 50 9.196 3.093 -14.044 396 HA ILE 50 HA ILE 50 9.209 2.423 -16.698 397 HB ILE 50 HB ILE 50 11.447 2.382 -14.688 398 HG12 ILE 50 HG12 ILE 50 11.272 4.222 -17.031 399 HG13 ILE 50 HG13 ILE 50 10.170 4.490 -15.685 400 HG21 ILE 50 HG21 ILE 50 12.721 2.517 -17.084 401 HG22 ILE 50 HG22 ILE 50 12.554 1.053 -16.116 402 HG23 ILE 50 HG23 ILE 50 11.431 1.368 -17.439 403 HD11 ILE 50 HD11 ILE 50 11.764 5.483 -14.522 404 HD12 ILE 50 HD12 ILE 50 12.831 4.091 -14.706 405 HD13 ILE 50 HD13 ILE 50 12.812 5.356 -15.934 406 H ASP 51 H ASP 51 10.027 0.319 -13.962 407 HA ASP 51 HA ASP 51 10.890 -1.930 -15.290 408 HB2 ASP 51 HB2 ASP 51 10.492 -1.390 -12.714 409 HB3 ASP 51 HB3 ASP 51 9.028 -2.329 -12.995 410 H PHE 52 H PHE 52 7.540 -1.015 -14.545 411 HA PHE 52 HA PHE 52 6.455 -3.307 -15.900 412 HB2 PHE 52 HB2 PHE 52 5.444 -1.123 -14.251 413 HB3 PHE 52 HB3 PHE 52 4.381 -1.491 -15.605 414 HD1 PHE 52 HD1 PHE 52 6.352 -3.323 -13.017 415 HD2 PHE 52 HD2 PHE 52 2.730 -3.032 -15.234 416 HE1 PHE 52 HE1 PHE 52 5.440 -5.239 -11.772 417 HE2 PHE 52 HE2 PHE 52 1.812 -4.947 -13.991 418 HZ PHE 52 HZ PHE 52 3.167 -6.052 -12.257 419 H LEU 53 H LEU 53 6.896 0.117 -16.614 420 HA LEU 53 HA LEU 53 5.396 0.336 -18.933 421 HB2 LEU 53 HB2 LEU 53 8.040 1.642 -18.306 422 HB3 LEU 53 HB3 LEU 53 6.915 2.163 -19.559 423 HG LEU 53 HG LEU 53 6.868 2.630 -16.650 424 HD11 LEU 53 HD11 LEU 53 6.181 4.747 -17.268 425 HD12 LEU 53 HD12 LEU 53 5.444 4.185 -18.768 426 HD13 LEU 53 HD13 LEU 53 7.200 4.272 -18.627 427 HD21 LEU 53 HD21 LEU 53 4.408 1.887 -18.205 428 HD22 LEU 53 HD22 LEU 53 4.344 2.927 -16.783 429 HD23 LEU 53 HD23 LEU 53 4.948 1.275 -16.642 430 H GLN 54 H GLN 54 8.768 -0.711 -18.562 431 HA GLN 54 HA GLN 54 9.415 -1.026 -21.244 432 HB2 GLN 54 HB2 GLN 54 10.356 -2.844 -19.026 433 HB3 GLN 54 HB3 GLN 54 11.195 -2.462 -20.523 434 HG2 GLN 54 HG2 GLN 54 10.700 -0.014 -19.229 435 HG3 GLN 54 HG3 GLN 54 11.302 -1.130 -18.004 436 HE21 GLN 54 HE21 GLN 54 12.605 1.202 -19.077 437 HE22 GLN 54 HE22 GLN 54 14.081 0.663 -19.796 438 H GLN 55 H GLN 55 7.798 -3.264 -19.035 439 HA GLN 55 HA GLN 55 7.645 -5.376 -20.969 440 HB2 GLN 55 HB2 GLN 55 5.888 -5.194 -18.544 441 HB3 GLN 55 HB3 GLN 55 6.554 -6.624 -19.321 442 HG2 GLN 55 HG2 GLN 55 8.837 -5.510 -18.586 443 HG3 GLN 55 HG3 GLN 55 7.794 -4.767 -17.374 444 HE21 GLN 55 HE21 GLN 55 9.866 -7.155 -17.723 445 HE22 GLN 55 HE22 GLN 55 9.184 -8.352 -16.680 446 H LEU 56 H LEU 56 5.505 -2.828 -19.823 447 HA LEU 56 HA LEU 56 3.112 -3.671 -20.965 448 HB2 LEU 56 HB2 LEU 56 4.189 -1.245 -19.848 449 HB3 LEU 56 HB3 LEU 56 3.170 -0.887 -21.241 450 HG LEU 56 HG LEU 56 1.413 -2.359 -20.071 451 HD11 LEU 56 HD11 LEU 56 2.351 -1.630 -17.455 452 HD12 LEU 56 HD12 LEU 56 3.517 -2.681 -18.258 453 HD13 LEU 56 HD13 LEU 56 1.843 -3.204 -18.067 454 HD21 LEU 56 HD21 LEU 56 2.164 0.266 -18.792 455 HD22 LEU 56 HD22 LEU 56 0.562 -0.470 -18.852 456 HD23 LEU 56 HD23 LEU 56 1.324 0.108 -20.335 457 H ASP 57 H ASP 57 5.845 -1.984 -22.394 458 HA ASP 57 HA ASP 57 4.460 -1.838 -24.969 459 HB2 ASP 57 HB2 ASP 57 5.773 0.124 -23.982 460 HB3 ASP 57 HB3 ASP 57 7.225 -0.797 -24.366 461 H ALA 58 H ALA 58 6.749 -3.726 -23.281 462 HA ALA 58 HA ALA 58 8.198 -5.389 -23.893 463 HB1 ALA 58 HB1 ALA 58 6.641 -6.260 -26.197 464 HB2 ALA 58 HB2 ALA 58 7.010 -7.103 -24.692 465 HB3 ALA 58 HB3 ALA 58 5.659 -5.972 -24.760 466 H LYS 59 H LYS 59 8.819 -2.859 -25.059 467 HA LYS 59 HA LYS 59 9.968 -3.701 -27.639 468 HB2 LYS 59 HB2 LYS 59 8.550 -1.924 -28.175 469 HB3 LYS 59 HB3 LYS 59 8.923 -1.052 -26.694 470 HG2 LYS 59 HG2 LYS 59 9.909 0.085 -28.565 471 HG3 LYS 59 HG3 LYS 59 11.187 -0.605 -27.562 472 HD2 LYS 59 HD2 LYS 59 11.972 -1.741 -29.304 473 HD3 LYS 59 HD3 LYS 59 10.408 -2.529 -29.522 474 HE2 LYS 59 HE2 LYS 59 11.331 0.084 -30.704 475 HE3 LYS 59 HE3 LYS 59 10.968 -1.414 -31.562 476 HZ1 LYS 59 HZ1 LYS 59 8.695 -0.780 -30.128 477 HZ2 LYS 59 HZ2 LYS 59 8.913 -0.663 -31.801 478 HZ3 LYS 59 HZ3 LYS 59 9.213 0.677 -30.813 479 H GLU 60 H GLU 60 12.122 -3.217 -28.072 480 HA GLU 60 HA GLU 60 13.707 -2.435 -25.715 481 HB2 GLU 60 HB2 GLU 60 14.093 -4.520 -27.796 482 HB3 GLU 60 HB3 GLU 60 15.533 -3.693 -27.218 483 HG2 GLU 60 HG2 GLU 60 13.551 -4.948 -25.349 484 HG3 GLU 60 HG3 GLU 60 14.889 -5.852 -26.057 485 H GLU 61 H GLU 61 15.178 -0.825 -25.892 486 HA GLU 61 HA GLU 61 15.831 0.230 -28.538 487 HB2 GLU 61 HB2 GLU 61 14.612 1.850 -26.299 488 HB3 GLU 61 HB3 GLU 61 15.411 2.562 -27.693 489 HG2 GLU 61 HG2 GLU 61 13.219 0.616 -28.167 490 HG3 GLU 61 HG3 GLU 61 12.804 2.236 -27.610 491 H THR 62 H THR 62 17.975 0.051 -28.555 492 HA THR 62 HA THR 62 19.536 0.367 -26.140 493 HB THR 62 HB THR 62 21.410 -0.375 -27.380 494 HG1 THR 62 HG1 THR 62 21.277 0.898 -29.218 495 HG21 THR 62 HG21 THR 62 19.359 -1.901 -28.893 496 HG22 THR 62 HG22 THR 62 19.258 -1.927 -27.133 497 HG23 THR 62 HG23 THR 62 20.725 -2.479 -27.940 498 H GLN 63 H GLN 63 21.841 1.536 -26.934 499 HA GLN 63 HA GLN 63 21.100 4.203 -27.915 500 HB2 GLN 63 HB2 GLN 63 22.987 3.847 -25.599 501 HB3 GLN 63 HB3 GLN 63 22.190 5.317 -26.146 502 HG2 GLN 63 HG2 GLN 63 20.684 4.964 -24.563 503 HG3 GLN 63 HG3 GLN 63 20.102 3.610 -25.529 504 HE21 GLN 63 HE21 GLN 63 22.376 1.952 -25.196 505 HE22 GLN 63 HE22 GLN 63 22.388 1.399 -23.560 Start of MODEL 3 1 H1 MET 1 H MET 1 1.947 -0.381 -0.006 2 HA MET 1 HA MET 1 4.051 0.501 -1.907 3 HB2 MET 1 HB2 MET 1 3.007 -2.275 -1.233 4 HB3 MET 1 HB3 MET 1 3.836 -1.922 -2.757 5 HG2 MET 1 HG2 MET 1 5.031 -1.594 0.008 6 HG3 MET 1 HG3 MET 1 5.333 -2.906 -1.128 7 HE1 MET 1 HE1 MET 1 8.762 -1.272 -1.175 8 HE2 MET 1 HE2 MET 1 7.655 -1.865 0.078 9 HE3 MET 1 HE3 MET 1 7.894 -2.806 -1.408 10 H LYS 2 H LYS 2 3.457 0.399 -4.175 11 HA LYS 2 HA LYS 2 0.652 -0.156 -4.870 12 HB2 LYS 2 HB2 LYS 2 0.682 2.240 -4.106 13 HB3 LYS 2 HB3 LYS 2 1.893 2.547 -5.373 14 HG2 LYS 2 HG2 LYS 2 0.304 1.884 -7.107 15 HG3 LYS 2 HG3 LYS 2 -0.928 1.523 -5.865 16 HD2 LYS 2 HD2 LYS 2 -0.440 4.024 -5.131 17 HD3 LYS 2 HD3 LYS 2 0.219 4.209 -6.739 18 HE2 LYS 2 HE2 LYS 2 -1.912 3.647 -7.760 19 HE3 LYS 2 HE3 LYS 2 -2.541 3.050 -6.214 20 HZ1 LYS 2 HZ1 LYS 2 -2.031 5.820 -6.997 21 HZ2 LYS 2 HZ2 LYS 2 -2.183 5.440 -5.423 22 HZ3 LYS 2 HZ3 LYS 2 -3.445 5.160 -6.436 23 H ASN 3 H ASN 3 1.139 -1.592 -6.349 24 HA ASN 3 HA ASN 3 3.577 -1.787 -7.794 25 HB2 ASN 3 HB2 ASN 3 1.294 -2.871 -9.277 26 HB3 ASN 3 HB3 ASN 3 2.751 -3.671 -8.710 27 HD21 ASN 3 HD21 ASN 3 -0.149 -4.476 -8.775 28 HD22 ASN 3 HD22 ASN 3 -0.589 -4.880 -7.133 29 H ALA 4 H ALA 4 4.054 -1.199 -9.958 30 HA ALA 4 HA ALA 4 3.573 1.236 -10.928 31 HB1 ALA 4 HB1 ALA 4 5.240 -0.457 -11.650 32 HB2 ALA 4 HB2 ALA 4 3.971 -1.338 -12.511 33 HB3 ALA 4 HB3 ALA 4 4.425 0.299 -13.023 34 H ALA 5 H ALA 5 1.742 -1.710 -11.772 35 HA ALA 5 HA ALA 5 0.132 -0.783 -13.752 36 HB1 ALA 5 HB1 ALA 5 -0.577 -2.724 -11.509 37 HB2 ALA 5 HB2 ALA 5 -1.444 -2.588 -13.044 38 HB3 ALA 5 HB3 ALA 5 0.240 -3.131 -13.035 39 H GLN 6 H GLN 6 -0.419 -0.441 -10.217 40 HA GLN 6 HA GLN 6 -3.060 0.727 -10.384 41 HB2 GLN 6 HB2 GLN 6 -0.913 0.549 -8.238 42 HB3 GLN 6 HB3 GLN 6 -2.415 1.372 -7.950 43 HG2 GLN 6 HG2 GLN 6 -3.683 -0.654 -8.299 44 HG3 GLN 6 HG3 GLN 6 -2.216 -1.558 -8.714 45 HE21 GLN 6 HE21 GLN 6 -0.586 -1.777 -7.000 46 HE22 GLN 6 HE22 GLN 6 -1.115 -1.882 -5.326 47 H ILE 7 H ILE 7 0.268 1.991 -10.374 48 HA ILE 7 HA ILE 7 -0.451 4.739 -9.885 49 HB ILE 7 HB ILE 7 2.085 3.782 -11.305 50 HG12 ILE 7 HG12 ILE 7 1.306 3.433 -8.443 51 HG13 ILE 7 HG13 ILE 7 2.110 2.324 -9.524 52 HG21 ILE 7 HG21 ILE 7 1.562 6.260 -11.098 53 HG22 ILE 7 HG22 ILE 7 1.579 6.048 -9.324 54 HG23 ILE 7 HG23 ILE 7 3.052 5.810 -10.288 55 HD11 ILE 7 HD11 ILE 7 4.163 3.717 -9.419 56 HD12 ILE 7 HD12 ILE 7 3.366 4.741 -8.184 57 HD13 ILE 7 HD13 ILE 7 3.685 3.032 -7.853 58 H VAL 8 H VAL 8 0.266 2.832 -12.842 59 HA VAL 8 HA VAL 8 -0.250 5.078 -14.561 60 HB VAL 8 HB VAL 8 -0.412 2.151 -15.330 61 HG11 VAL 8 HG11 VAL 8 -0.047 4.603 -17.073 62 HG12 VAL 8 HG12 VAL 8 0.016 2.911 -17.612 63 HG13 VAL 8 HG13 VAL 8 -1.494 3.576 -16.995 64 HG21 VAL 8 HG21 VAL 8 1.890 2.529 -16.235 65 HG22 VAL 8 HG22 VAL 8 1.911 4.032 -15.284 66 HG23 VAL 8 HG23 VAL 8 1.748 2.467 -14.476 67 H ASP 9 H ASP 9 -2.387 2.566 -13.280 68 HA ASP 9 HA ASP 9 -4.697 3.257 -14.810 69 HB2 ASP 9 HB2 ASP 9 -4.214 1.832 -12.225 70 HB3 ASP 9 HB3 ASP 9 -5.803 2.513 -12.445 71 H GLU 10 H GLU 10 -3.547 4.563 -11.659 72 HA GLU 10 HA GLU 10 -5.696 6.400 -11.310 73 HB2 GLU 10 HB2 GLU 10 -2.839 6.226 -10.332 74 HB3 GLU 10 HB3 GLU 10 -3.680 7.725 -10.113 75 HG2 GLU 10 HG2 GLU 10 -4.489 5.014 -9.044 76 HG3 GLU 10 HG3 GLU 10 -3.834 6.364 -8.129 77 H ALA 11 H ALA 11 -2.557 6.746 -13.065 78 HA ALA 11 HA ALA 11 -2.947 9.509 -13.664 79 HB1 ALA 11 HB1 ALA 11 -1.367 7.583 -15.396 80 HB2 ALA 11 HB2 ALA 11 -1.016 9.285 -15.028 81 HB3 ALA 11 HB3 ALA 11 -0.809 8.043 -13.782 82 H LEU 12 H LEU 12 -3.637 6.566 -15.507 83 HA LEU 12 HA LEU 12 -4.537 7.629 -17.911 84 HB2 LEU 12 HB2 LEU 12 -4.097 5.301 -17.690 85 HB3 LEU 12 HB3 LEU 12 -5.249 5.132 -16.358 86 HG LEU 12 HG LEU 12 -7.116 5.636 -17.826 87 HD11 LEU 12 HD11 LEU 12 -6.662 5.496 -20.383 88 HD12 LEU 12 HD12 LEU 12 -4.946 5.701 -20.002 89 HD13 LEU 12 HD13 LEU 12 -6.091 6.983 -19.637 90 HD21 LEU 12 HD21 LEU 12 -7.043 3.485 -19.092 91 HD22 LEU 12 HD22 LEU 12 -6.431 3.304 -17.440 92 HD23 LEU 12 HD23 LEU 12 -5.298 3.380 -18.811 93 H ASN 13 H ASN 13 -6.331 7.187 -14.897 94 HA ASN 13 HA ASN 13 -8.946 7.782 -15.752 95 HB2 ASN 13 HB2 ASN 13 -7.903 7.096 -13.409 96 HB3 ASN 13 HB3 ASN 13 -7.851 8.839 -13.131 97 HD21 ASN 13 HD21 ASN 13 -9.453 6.519 -12.052 98 HD22 ASN 13 HD22 ASN 13 -11.147 6.992 -12.161 99 H GLN 14 H GLN 14 -6.192 9.960 -15.083 100 HA GLN 14 HA GLN 14 -7.841 12.356 -15.431 101 HB2 GLN 14 HB2 GLN 14 -4.845 12.306 -15.202 102 HB3 GLN 14 HB3 GLN 14 -6.023 13.544 -14.713 103 HG2 GLN 14 HG2 GLN 14 -6.755 11.718 -12.975 104 HG3 GLN 14 HG3 GLN 14 -5.232 10.943 -13.387 105 HE21 GLN 14 HE21 GLN 14 -4.833 11.292 -11.030 106 HE22 GLN 14 HE22 GLN 14 -3.992 12.767 -10.597 107 H GLY 15 H GLY 15 -6.590 10.177 -17.578 108 HA2 GLY 15 HA2 GLY 15 -6.436 10.287 -19.860 109 HA3 GLY 15 HA3 GLY 15 -6.608 12.040 -19.816 110 H ILE 16 H ILE 16 -4.072 10.076 -18.071 111 HA ILE 16 HA ILE 16 -2.061 11.023 -19.967 112 HB ILE 16 HB ILE 16 -1.942 12.743 -18.403 113 HG12 ILE 16 HG12 ILE 16 0.159 11.550 -19.084 114 HG13 ILE 16 HG13 ILE 16 0.239 12.752 -17.827 115 HG21 ILE 16 HG21 ILE 16 -1.667 12.545 -15.986 116 HG22 ILE 16 HG22 ILE 16 -3.266 12.031 -16.572 117 HG23 ILE 16 HG23 ILE 16 -2.071 10.823 -16.117 118 HD11 ILE 16 HD11 ILE 16 0.279 10.944 -16.122 119 HD12 ILE 16 HD12 ILE 16 0.353 9.763 -17.451 120 HD13 ILE 16 HD13 ILE 16 1.646 10.959 -17.247 121 H THR 17 H THR 17 -0.760 9.422 -20.445 122 HA THR 17 HA THR 17 -0.836 6.918 -18.776 123 HB THR 17 HB THR 17 -0.532 7.312 -21.793 124 HG1 THR 17 HG1 THR 17 -2.564 5.734 -20.988 125 HG21 THR 17 HG21 THR 17 -0.743 4.853 -21.976 126 HG22 THR 17 HG22 THR 17 -0.644 4.717 -20.209 127 HG23 THR 17 HG23 THR 17 0.739 5.325 -21.155 128 H LEU 18 H LEU 18 1.149 5.695 -18.702 129 HA LEU 18 HA LEU 18 3.528 7.479 -18.765 130 HB2 LEU 18 HB2 LEU 18 2.917 5.099 -16.882 131 HB3 LEU 18 HB3 LEU 18 4.437 5.960 -17.045 132 HG LEU 18 HG LEU 18 3.397 6.817 -15.156 133 HD11 LEU 18 HD11 LEU 18 3.164 9.159 -15.519 134 HD12 LEU 18 HD12 LEU 18 2.697 8.908 -17.196 135 HD13 LEU 18 HD13 LEU 18 4.382 8.578 -16.683 136 HD21 LEU 18 HD21 LEU 18 1.243 7.609 -14.849 137 HD22 LEU 18 HD22 LEU 18 1.080 6.083 -15.725 138 HD23 LEU 18 HD23 LEU 18 0.864 7.602 -16.587 139 H PHE 19 H PHE 19 5.306 6.822 -19.863 140 HA PHE 19 HA PHE 19 5.374 4.112 -21.081 141 HB2 PHE 19 HB2 PHE 19 5.450 6.740 -22.608 142 HB3 PHE 19 HB3 PHE 19 6.037 5.225 -23.272 143 HD1 PHE 19 HD1 PHE 19 3.187 7.317 -23.084 144 HD2 PHE 19 HD2 PHE 19 4.409 3.180 -23.216 145 HE1 PHE 19 HE1 PHE 19 0.975 6.673 -24.037 146 HE2 PHE 19 HE2 PHE 19 2.179 2.553 -24.108 147 HZ PHE 19 HZ PHE 19 0.499 4.309 -24.571 148 H VAL 20 H VAL 20 7.565 3.666 -22.123 149 HA VAL 20 HA VAL 20 9.735 5.193 -20.775 150 HB VAL 20 HB VAL 20 9.215 2.216 -20.904 151 HG11 VAL 20 HG11 VAL 20 12.066 3.314 -21.023 152 HG12 VAL 20 HG12 VAL 20 11.564 1.643 -20.680 153 HG13 VAL 20 HG13 VAL 20 11.288 2.319 -22.277 154 HG21 VAL 20 HG21 VAL 20 9.128 3.794 -18.915 155 HG22 VAL 20 HG22 VAL 20 10.098 2.312 -18.759 156 HG23 VAL 20 HG23 VAL 20 10.891 3.890 -19.032 157 H ALA 21 H ALA 21 11.547 5.720 -21.930 158 HA ALA 21 HA ALA 21 12.135 4.905 -24.596 159 HB1 ALA 21 HB1 ALA 21 10.973 7.690 -24.110 160 HB2 ALA 21 HB2 ALA 21 12.020 7.265 -25.471 161 HB3 ALA 21 HB3 ALA 21 10.436 6.487 -25.305 162 H ASP 22 H ASP 22 14.291 5.472 -24.916 163 HA ASP 22 HA ASP 22 16.456 5.927 -24.239 164 HB2 ASP 22 HB2 ASP 22 15.180 8.170 -24.451 165 HB3 ASP 22 HB3 ASP 22 15.247 8.262 -22.720 166 H ASN 23 H ASN 23 14.966 4.126 -22.491 167 HA ASN 23 HA ASN 23 15.021 3.128 -20.492 168 HB2 ASN 23 HB2 ASN 23 17.407 2.929 -21.176 169 HB3 ASN 23 HB3 ASN 23 17.775 4.444 -20.350 170 HD21 ASN 23 HD21 ASN 23 16.492 1.128 -19.745 171 HD22 ASN 23 HD22 ASN 23 17.106 1.058 -18.119 172 H ARG 24 H ARG 24 14.051 6.042 -20.607 173 HA ARG 24 HA ARG 24 14.133 6.582 -17.664 174 HB2 ARG 24 HB2 ARG 24 14.573 8.808 -18.022 175 HB3 ARG 24 HB3 ARG 24 15.438 8.093 -19.396 176 HG2 ARG 24 HG2 ARG 24 13.436 8.568 -20.807 177 HG3 ARG 24 HG3 ARG 24 12.772 9.532 -19.471 178 HD2 ARG 24 HD2 ARG 24 14.828 10.913 -19.577 179 HD3 ARG 24 HD3 ARG 24 15.410 9.890 -20.919 180 HE ARG 24 HE ARG 24 13.296 10.593 -22.105 181 HH11 ARG 24 HH11 ARG 24 15.109 12.894 -20.023 182 HH12 ARG 24 HH12 ARG 24 14.603 14.264 -20.934 183 HH21 ARG 24 HH21 ARG 24 12.716 12.435 -23.305 184 HH22 ARG 24 HH22 ARG 24 13.332 13.994 -22.870 185 H LEU 25 H LEU 25 12.233 7.870 -16.888 186 HA LEU 25 HA LEU 25 9.778 6.568 -17.760 187 HB2 LEU 25 HB2 LEU 25 10.456 7.088 -15.328 188 HB3 LEU 25 HB3 LEU 25 10.291 8.777 -15.697 189 HG LEU 25 HG LEU 25 8.418 7.659 -14.456 190 HD11 LEU 25 HD11 LEU 25 6.754 9.028 -15.202 191 HD12 LEU 25 HD12 LEU 25 7.175 8.853 -16.897 192 HD13 LEU 25 HD13 LEU 25 8.192 9.856 -15.870 193 HD21 LEU 25 HD21 LEU 25 8.192 5.585 -15.669 194 HD22 LEU 25 HD22 LEU 25 7.622 6.463 -17.112 195 HD23 LEU 25 HD23 LEU 25 6.667 6.472 -15.629 196 H GLN 26 H GLN 26 8.137 7.602 -19.022 197 HA GLN 26 HA GLN 26 8.205 10.469 -19.532 198 HB2 GLN 26 HB2 GLN 26 8.493 8.301 -21.660 199 HB3 GLN 26 HB3 GLN 26 7.565 9.735 -21.997 200 HG2 GLN 26 HG2 GLN 26 9.373 10.801 -22.576 201 HG3 GLN 26 HG3 GLN 26 9.862 10.859 -20.886 202 HE21 GLN 26 HE21 GLN 26 10.384 7.827 -20.844 203 HE22 GLN 26 HE22 GLN 26 11.894 7.756 -21.723 204 H TYR 27 H TYR 27 6.107 10.890 -20.943 205 HA TYR 27 HA TYR 27 3.895 9.180 -20.160 206 HB2 TYR 27 HB2 TYR 27 2.811 11.533 -19.369 207 HB3 TYR 27 HB3 TYR 27 3.602 10.455 -18.255 208 HD1 TYR 27 HD1 TYR 27 5.658 11.016 -17.158 209 HD2 TYR 27 HD2 TYR 27 4.126 13.548 -20.286 210 HE1 TYR 27 HE1 TYR 27 7.366 12.692 -16.633 211 HE2 TYR 27 HE2 TYR 27 5.738 15.329 -19.650 212 HH TYR 27 HH TYR 27 8.347 14.703 -17.328 213 H GLU 28 H GLU 28 1.995 9.814 -21.137 214 HA GLU 28 HA GLU 28 2.161 11.750 -23.377 215 HB2 GLU 28 HB2 GLU 28 2.725 9.548 -24.319 216 HB3 GLU 28 HB3 GLU 28 1.198 8.883 -23.699 217 HG2 GLU 28 HG2 GLU 28 -0.094 10.421 -25.087 218 HG3 GLU 28 HG3 GLU 28 1.360 11.304 -25.545 219 H THR 29 H THR 29 0.490 13.085 -23.170 220 HA THR 29 HA THR 29 -2.108 12.099 -22.186 221 HB THR 29 HB THR 29 -0.843 13.081 -20.296 222 HG1 THR 29 HG1 THR 29 -3.134 13.340 -20.442 223 HG21 THR 29 HG21 THR 29 0.552 14.709 -21.440 224 HG22 THR 29 HG22 THR 29 -0.379 15.455 -20.130 225 HG23 THR 29 HG23 THR 29 -0.876 15.718 -21.812 226 H SER 30 H SER 30 -3.470 14.331 -22.319 227 HA SER 30 HA SER 30 -3.085 15.739 -24.810 228 HB2 SER 30 HB2 SER 30 -4.364 13.467 -25.209 229 HB3 SER 30 HB3 SER 30 -5.741 14.339 -24.518 230 HG SER 30 HG SER 30 -5.874 14.908 -26.556 231 H ARG 31 H ARG 31 -3.100 16.170 -21.855 232 HA ARG 31 HA ARG 31 -5.475 17.800 -21.242 233 HB2 ARG 31 HB2 ARG 31 -2.808 17.209 -19.856 234 HB3 ARG 31 HB3 ARG 31 -4.006 18.308 -19.182 235 HG2 ARG 31 HG2 ARG 31 -5.625 16.555 -18.873 236 HG3 ARG 31 HG3 ARG 31 -4.729 15.445 -19.893 237 HD2 ARG 31 HD2 ARG 31 -4.220 14.620 -17.838 238 HD3 ARG 31 HD3 ARG 31 -2.808 15.638 -18.135 239 HE ARG 31 HE ARG 31 -4.566 17.315 -16.813 240 HH11 ARG 31 HH11 ARG 31 -3.305 14.095 -15.986 241 HH12 ARG 31 HH12 ARG 31 -3.679 14.283 -14.288 242 HH21 ARG 31 HH21 ARG 31 -4.845 17.562 -14.505 243 HH22 ARG 31 HH22 ARG 31 -4.563 16.196 -13.480 244 H ASP 32 H ASP 32 -4.969 20.182 -20.589 245 HA ASP 32 HA ASP 32 -3.700 21.475 -22.836 246 HB2 ASP 32 HB2 ASP 32 -5.584 22.464 -21.526 247 HB3 ASP 32 HB3 ASP 32 -4.499 22.667 -20.148 248 H ASN 33 H ASN 33 -2.546 20.293 -19.791 249 HA ASN 33 HA ASN 33 0.179 20.482 -20.260 250 HB2 ASN 33 HB2 ASN 33 -0.945 22.980 -19.190 251 HB3 ASN 33 HB3 ASN 33 0.033 22.195 -17.961 252 HD21 ASN 33 HD21 ASN 33 0.259 22.629 -21.503 253 HD22 ASN 33 HD22 ASN 33 1.943 23.107 -21.550 254 H ILE 34 H ILE 34 1.267 19.395 -18.420 255 HA ILE 34 HA ILE 34 -0.641 17.909 -16.783 256 HB ILE 34 HB ILE 34 1.137 16.782 -18.056 257 HG12 ILE 34 HG12 ILE 34 2.103 15.404 -16.038 258 HG13 ILE 34 HG13 ILE 34 1.079 16.418 -15.019 259 HG21 ILE 34 HG21 ILE 34 2.933 18.486 -17.794 260 HG22 ILE 34 HG22 ILE 34 3.128 17.956 -16.111 261 HG23 ILE 34 HG23 ILE 34 3.447 16.829 -17.454 262 HD11 ILE 34 HD11 ILE 34 0.063 14.839 -17.463 263 HD12 ILE 34 HD12 ILE 34 0.006 14.241 -15.792 264 HD13 ILE 34 HD13 ILE 34 -0.938 15.663 -16.283 265 HA PRO 35 HA PRO 35 0.191 20.656 -13.338 266 HB2 PRO 35 HB2 PRO 35 -0.748 19.002 -11.286 267 HB3 PRO 35 HB3 PRO 35 -1.798 20.059 -12.312 268 HG2 PRO 35 HG2 PRO 35 -1.194 17.151 -12.399 269 HG3 PRO 35 HG3 PRO 35 -2.748 17.949 -12.760 270 HD2 PRO 35 HD2 PRO 35 -0.972 16.980 -14.622 271 HD3 PRO 35 HD3 PRO 35 -2.047 18.356 -14.987 272 H GLU 36 H GLU 36 1.621 20.784 -11.489 273 HA GLU 36 HA GLU 36 4.010 19.238 -11.761 274 HB2 GLU 36 HB2 GLU 36 4.657 20.332 -9.603 275 HB3 GLU 36 HB3 GLU 36 4.218 21.431 -10.933 276 HG2 GLU 36 HG2 GLU 36 1.978 21.794 -9.925 277 HG3 GLU 36 HG3 GLU 36 2.404 20.718 -8.585 278 H GLU 37 H GLU 37 1.303 19.008 -9.467 279 HA GLU 37 HA GLU 37 2.476 17.240 -7.630 280 HB2 GLU 37 HB2 GLU 37 0.033 16.609 -7.174 281 HB3 GLU 37 HB3 GLU 37 0.536 18.280 -6.933 282 HG2 GLU 37 HG2 GLU 37 -0.416 18.949 -9.103 283 HG3 GLU 37 HG3 GLU 37 -0.891 17.287 -9.424 284 H LEU 38 H LEU 38 0.853 16.584 -10.745 285 HA LEU 38 HA LEU 38 0.837 13.725 -10.521 286 HB2 LEU 38 HB2 LEU 38 0.677 15.725 -12.727 287 HB3 LEU 38 HB3 LEU 38 0.962 14.081 -13.191 288 HG LEU 38 HG LEU 38 -1.473 15.031 -13.196 289 HD11 LEU 38 HD11 LEU 38 -0.789 12.661 -13.661 290 HD12 LEU 38 HD12 LEU 38 -2.398 12.836 -12.985 291 HD13 LEU 38 HD13 LEU 38 -1.072 12.344 -11.926 292 HD21 LEU 38 HD21 LEU 38 -1.450 15.757 -10.775 293 HD22 LEU 38 HD22 LEU 38 -1.343 14.067 -10.300 294 HD23 LEU 38 HD23 LEU 38 -2.772 14.671 -11.164 295 H LEU 39 H LEU 39 3.124 16.091 -12.043 296 HA LEU 39 HA LEU 39 4.952 14.112 -12.949 297 HB2 LEU 39 HB2 LEU 39 5.410 17.024 -12.146 298 HB3 LEU 39 HB3 LEU 39 6.641 16.004 -12.866 299 HG LEU 39 HG LEU 39 4.029 16.814 -14.202 300 HD11 LEU 39 HD11 LEU 39 5.655 18.658 -13.990 301 HD12 LEU 39 HD12 LEU 39 5.526 18.137 -15.675 302 HD13 LEU 39 HD13 LEU 39 6.928 17.642 -14.711 303 HD21 LEU 39 HD21 LEU 39 6.354 15.099 -15.182 304 HD22 LEU 39 HD22 LEU 39 5.147 15.826 -16.254 305 HD23 LEU 39 HD23 LEU 39 4.636 14.633 -15.063 306 H ASN 40 H ASN 40 4.779 15.913 -9.901 307 HA ASN 40 HA ASN 40 7.139 14.911 -8.734 308 HB2 ASN 40 HB2 ASN 40 4.614 16.214 -7.740 309 HB3 ASN 40 HB3 ASN 40 5.638 15.384 -6.556 310 HD21 ASN 40 HD21 ASN 40 5.375 18.094 -8.747 311 HD22 ASN 40 HD22 ASN 40 6.829 18.928 -8.221 312 H GLU 41 H GLU 41 3.842 13.552 -8.684 313 HA GLU 41 HA GLU 41 4.574 11.387 -6.930 314 HB2 GLU 41 HB2 GLU 41 2.210 12.364 -8.283 315 HB3 GLU 41 HB3 GLU 41 2.345 10.631 -8.588 316 HG2 GLU 41 HG2 GLU 41 0.994 11.028 -6.603 317 HG3 GLU 41 HG3 GLU 41 2.468 10.154 -6.197 318 H TRP 42 H TRP 42 4.189 11.558 -10.513 319 HA TRP 42 HA TRP 42 5.039 8.860 -10.966 320 HB2 TRP 42 HB2 TRP 42 5.411 11.249 -12.786 321 HB3 TRP 42 HB3 TRP 42 5.386 9.550 -13.243 322 HD1 TRP 42 HD1 TRP 42 3.529 11.711 -14.567 323 HE1 TRP 42 HE1 TRP 42 0.981 11.527 -14.465 324 HE3 TRP 42 HE3 TRP 42 3.026 8.598 -10.491 325 HZ2 TRP 42 HZ2 TRP 42 -1.017 10.322 -12.757 326 HZ3 TRP 42 HZ3 TRP 42 0.783 8.107 -9.595 327 HH2 TRP 42 HH2 TRP 42 -1.234 8.924 -10.729 328 H LYS 43 H LYS 43 6.951 11.883 -10.527 329 HA LYS 43 HA LYS 43 9.493 10.821 -11.348 330 HB2 LYS 43 HB2 LYS 43 8.537 13.128 -9.639 331 HB3 LYS 43 HB3 LYS 43 10.268 12.707 -9.750 332 HG2 LYS 43 HG2 LYS 43 10.204 12.934 -12.183 333 HG3 LYS 43 HG3 LYS 43 8.489 13.153 -12.171 334 HD2 LYS 43 HD2 LYS 43 9.237 15.294 -12.480 335 HD3 LYS 43 HD3 LYS 43 8.798 15.265 -10.784 336 HE2 LYS 43 HE2 LYS 43 11.652 14.784 -11.814 337 HE3 LYS 43 HE3 LYS 43 11.018 16.392 -11.477 338 HZ1 LYS 43 HZ1 LYS 43 11.360 14.269 -9.446 339 HZ2 LYS 43 HZ2 LYS 43 10.672 15.757 -9.203 340 HZ3 LYS 43 HZ3 LYS 43 12.240 15.637 -9.623 341 H TYR 44 H TYR 44 7.660 10.784 -8.315 342 HA TYR 44 HA TYR 44 9.799 9.769 -6.740 343 HB2 TYR 44 HB2 TYR 44 7.569 10.733 -5.974 344 HB3 TYR 44 HB3 TYR 44 6.847 9.177 -6.289 345 HD1 TYR 44 HD1 TYR 44 8.136 11.195 -3.777 346 HD2 TYR 44 HD2 TYR 44 8.238 7.074 -5.118 347 HE1 TYR 44 HE1 TYR 44 8.704 10.469 -1.517 348 HE2 TYR 44 HE2 TYR 44 8.836 6.356 -2.860 349 HH TYR 44 HH TYR 44 9.333 8.684 -0.174 350 H TYR 45 H TYR 45 7.007 7.851 -7.974 351 HA TYR 45 HA TYR 45 8.369 5.355 -7.744 352 HB2 TYR 45 HB2 TYR 45 5.608 6.227 -8.633 353 HB3 TYR 45 HB3 TYR 45 6.149 4.553 -8.604 354 HD1 TYR 45 HD1 TYR 45 6.541 3.306 -6.574 355 HD2 TYR 45 HD2 TYR 45 5.307 7.447 -6.406 356 HE1 TYR 45 HE1 TYR 45 6.191 3.097 -4.160 357 HE2 TYR 45 HE2 TYR 45 4.951 7.247 -3.987 358 HH TYR 45 HH TYR 45 4.816 5.741 -2.172 359 H ARG 46 H ARG 46 9.448 7.370 -9.872 360 HA ARG 46 HA ARG 46 8.711 6.487 -12.416 361 HB2 ARG 46 HB2 ARG 46 10.435 7.655 -13.259 362 HB3 ARG 46 HB3 ARG 46 10.298 8.452 -11.725 363 HG2 ARG 46 HG2 ARG 46 12.337 6.259 -12.363 364 HG3 ARG 46 HG3 ARG 46 12.629 7.975 -12.593 365 HD2 ARG 46 HD2 ARG 46 12.653 8.503 -10.406 366 HD3 ARG 46 HD3 ARG 46 11.632 7.151 -9.903 367 HE ARG 46 HE ARG 46 14.124 6.131 -10.884 368 HH11 ARG 46 HH11 ARG 46 12.735 7.767 -7.996 369 HH12 ARG 46 HH12 ARG 46 13.629 6.795 -6.896 370 HH21 ARG 46 HH21 ARG 46 15.472 4.993 -9.326 371 HH22 ARG 46 HH22 ARG 46 15.135 5.199 -7.648 372 H GLN 47 H GLN 47 11.088 5.073 -10.151 373 HA GLN 47 HA GLN 47 12.172 3.136 -11.894 374 HB2 GLN 47 HB2 GLN 47 12.761 4.071 -9.420 375 HB3 GLN 47 HB3 GLN 47 11.870 2.646 -8.934 376 HG2 GLN 47 HG2 GLN 47 14.397 2.798 -10.566 377 HG3 GLN 47 HG3 GLN 47 14.210 2.149 -8.938 378 HE21 GLN 47 HE21 GLN 47 14.246 1.430 -12.280 379 HE22 GLN 47 HE22 GLN 47 13.539 -0.161 -12.212 380 H ASP 48 H ASP 48 9.398 3.073 -9.574 381 HA ASP 48 HA ASP 48 8.840 0.267 -9.866 382 HB2 ASP 48 HB2 ASP 48 8.013 2.235 -8.188 383 HB3 ASP 48 HB3 ASP 48 6.658 2.304 -9.303 384 H LEU 49 H LEU 49 7.516 3.124 -11.352 385 HA LEU 49 HA LEU 49 5.684 2.033 -13.135 386 HB2 LEU 49 HB2 LEU 49 7.364 4.558 -13.152 387 HB3 LEU 49 HB3 LEU 49 6.382 4.165 -14.553 388 HG LEU 49 HG LEU 49 5.055 4.211 -11.851 389 HD11 LEU 49 HD11 LEU 49 5.624 6.672 -13.539 390 HD12 LEU 49 HD12 LEU 49 6.315 6.312 -11.937 391 HD13 LEU 49 HD13 LEU 49 4.581 6.600 -12.107 392 HD21 LEU 49 HD21 LEU 49 3.721 3.372 -13.575 393 HD22 LEU 49 HD22 LEU 49 4.139 4.696 -14.670 394 HD23 LEU 49 HD23 LEU 49 3.141 5.001 -13.222 395 H ILE 50 H ILE 50 8.922 3.215 -14.109 396 HA ILE 50 HA ILE 50 9.042 2.277 -16.634 397 HB ILE 50 HB ILE 50 11.225 2.308 -14.492 398 HG12 ILE 50 HG12 ILE 50 11.134 4.215 -16.851 399 HG13 ILE 50 HG13 ILE 50 10.080 4.481 -15.492 400 HG21 ILE 50 HG21 ILE 50 12.991 2.199 -16.222 401 HG22 ILE 50 HG22 ILE 50 12.034 0.733 -16.212 402 HG23 ILE 50 HG23 ILE 50 11.752 1.932 -17.474 403 HD11 ILE 50 HD11 ILE 50 12.122 5.725 -15.081 404 HD12 ILE 50 HD12 ILE 50 12.170 4.339 -13.987 405 HD13 ILE 50 HD13 ILE 50 13.128 4.319 -15.478 406 H ASP 51 H ASP 51 9.843 0.265 -13.734 407 HA ASP 51 HA ASP 51 10.832 -1.951 -15.057 408 HB2 ASP 51 HB2 ASP 51 10.475 -1.451 -12.499 409 HB3 ASP 51 HB3 ASP 51 8.878 -2.149 -12.704 410 H PHE 52 H PHE 52 7.424 -1.132 -14.473 411 HA PHE 52 HA PHE 52 6.509 -3.523 -15.933 412 HB2 PHE 52 HB2 PHE 52 5.477 -2.368 -13.881 413 HB3 PHE 52 HB3 PHE 52 4.855 -1.177 -15.004 414 HD1 PHE 52 HD1 PHE 52 5.091 -4.963 -14.864 415 HD2 PHE 52 HD2 PHE 52 2.540 -1.504 -15.376 416 HE1 PHE 52 HE1 PHE 52 3.137 -6.435 -15.170 417 HE2 PHE 52 HE2 PHE 52 0.595 -3.004 -15.666 418 HZ PHE 52 HZ PHE 52 0.883 -5.471 -15.559 419 H LEU 53 H LEU 53 7.037 -0.093 -16.568 420 HA LEU 53 HA LEU 53 5.522 0.215 -18.958 421 HB2 LEU 53 HB2 LEU 53 8.116 1.524 -18.206 422 HB3 LEU 53 HB3 LEU 53 7.117 2.054 -19.527 423 HG LEU 53 HG LEU 53 6.329 2.099 -16.605 424 HD11 LEU 53 HD11 LEU 53 7.780 3.892 -17.247 425 HD12 LEU 53 HD12 LEU 53 6.131 4.466 -16.965 426 HD13 LEU 53 HD13 LEU 53 6.704 4.234 -18.631 427 HD21 LEU 53 HD21 LEU 53 4.391 1.503 -17.798 428 HD22 LEU 53 HD22 LEU 53 4.724 2.739 -19.033 429 HD23 LEU 53 HD23 LEU 53 4.300 3.193 -17.350 430 H GLN 54 H GLN 54 8.864 -0.862 -18.494 431 HA GLN 54 HA GLN 54 9.657 -0.965 -21.182 432 HB2 GLN 54 HB2 GLN 54 10.305 -2.883 -18.932 433 HB3 GLN 54 HB3 GLN 54 11.257 -2.709 -20.406 434 HG2 GLN 54 HG2 GLN 54 10.967 -0.129 -19.047 435 HG3 GLN 54 HG3 GLN 54 11.395 -1.307 -17.876 436 HE21 GLN 54 HE21 GLN 54 12.963 0.960 -18.877 437 HE22 GLN 54 HE22 GLN 54 14.459 0.262 -19.518 438 H GLN 55 H GLN 55 7.968 -3.314 -19.158 439 HA GLN 55 HA GLN 55 7.725 -5.451 -21.045 440 HB2 GLN 55 HB2 GLN 55 5.893 -4.971 -18.657 441 HB3 GLN 55 HB3 GLN 55 6.253 -6.490 -19.459 442 HG2 GLN 55 HG2 GLN 55 8.601 -6.356 -18.672 443 HG3 GLN 55 HG3 GLN 55 8.236 -4.799 -17.912 444 HE21 GLN 55 HE21 GLN 55 8.135 -4.998 -15.713 445 HE22 GLN 55 HE22 GLN 55 7.471 -6.412 -14.883 446 H LEU 56 H LEU 56 5.504 -2.859 -20.023 447 HA LEU 56 HA LEU 56 3.235 -3.561 -21.458 448 HB2 LEU 56 HB2 LEU 56 4.322 -1.108 -20.231 449 HB3 LEU 56 HB3 LEU 56 3.321 -0.776 -21.638 450 HG LEU 56 HG LEU 56 1.559 -2.337 -20.597 451 HD11 LEU 56 HD11 LEU 56 1.592 -2.554 -18.142 452 HD12 LEU 56 HD12 LEU 56 3.192 -1.797 -18.071 453 HD13 LEU 56 HD13 LEU 56 2.994 -3.386 -18.839 454 HD21 LEU 56 HD21 LEU 56 2.268 0.285 -19.226 455 HD22 LEU 56 HD22 LEU 56 0.689 -0.525 -19.153 456 HD23 LEU 56 HD23 LEU 56 1.295 0.074 -20.699 457 H ASP 57 H ASP 57 6.048 -1.721 -22.693 458 HA ASP 57 HA ASP 57 4.715 -1.539 -25.347 459 HB2 ASP 57 HB2 ASP 57 6.148 0.305 -24.325 460 HB3 ASP 57 HB3 ASP 57 7.549 -0.694 -24.715 461 H ALA 58 H ALA 58 7.162 -3.403 -23.685 462 HA ALA 58 HA ALA 58 8.444 -5.103 -24.132 463 HB1 ALA 58 HB1 ALA 58 6.261 -6.172 -24.582 464 HB2 ALA 58 HB2 ALA 58 6.443 -5.804 -26.309 465 HB3 ALA 58 HB3 ALA 58 7.576 -6.919 -25.512 466 H LYS 59 H LYS 59 8.859 -2.582 -25.719 467 HA LYS 59 HA LYS 59 10.329 -3.483 -28.068 468 HB2 LYS 59 HB2 LYS 59 8.824 -1.220 -27.600 469 HB3 LYS 59 HB3 LYS 59 10.405 -0.635 -27.101 470 HG2 LYS 59 HG2 LYS 59 10.241 -0.073 -29.393 471 HG3 LYS 59 HG3 LYS 59 11.297 -1.479 -29.339 472 HD2 LYS 59 HD2 LYS 59 9.894 -1.958 -31.125 473 HD3 LYS 59 HD3 LYS 59 9.137 -2.889 -29.860 474 HE2 LYS 59 HE2 LYS 59 8.228 -0.038 -30.456 475 HE3 LYS 59 HE3 LYS 59 7.748 -1.377 -31.501 476 HZ1 LYS 59 HZ1 LYS 59 7.028 -1.045 -28.662 477 HZ2 LYS 59 HZ2 LYS 59 6.849 -2.475 -29.495 478 HZ3 LYS 59 HZ3 LYS 59 6.066 -1.083 -29.943 479 H GLU 60 H GLU 60 12.463 -3.141 -28.264 480 HA GLU 60 HA GLU 60 14.218 -2.393 -26.000 481 HB2 GLU 60 HB2 GLU 60 13.830 -5.169 -27.125 482 HB3 GLU 60 HB3 GLU 60 15.487 -4.673 -26.821 483 HG2 GLU 60 HG2 GLU 60 13.304 -4.636 -24.720 484 HG3 GLU 60 HG3 GLU 60 14.517 -5.898 -24.921 485 H GLU 61 H GLU 61 14.578 -0.579 -27.443 486 HA GLU 61 HA GLU 61 16.216 -1.261 -29.864 487 HB2 GLU 61 HB2 GLU 61 15.472 1.037 -30.649 488 HB3 GLU 61 HB3 GLU 61 14.314 -0.276 -30.725 489 HG2 GLU 61 HG2 GLU 61 13.063 0.522 -28.844 490 HG3 GLU 61 HG3 GLU 61 14.316 1.699 -28.429 491 H THR 62 H THR 62 17.966 0.300 -30.379 492 HA THR 62 HA THR 62 18.956 1.774 -28.012 493 HB THR 62 HB THR 62 21.279 0.926 -28.838 494 HG1 THR 62 HG1 THR 62 21.311 -1.064 -29.637 495 HG21 THR 62 HG21 THR 62 19.400 -0.890 -27.272 496 HG22 THR 62 HG22 THR 62 20.246 0.527 -26.622 497 HG23 THR 62 HG23 THR 62 21.178 -0.874 -27.188 498 H GLN 63 H GLN 63 18.688 3.724 -28.584 499 HA GLN 63 HA GLN 63 18.902 4.856 -31.192 500 HB2 GLN 63 HB2 GLN 63 17.611 5.729 -29.137 501 HB3 GLN 63 HB3 GLN 63 19.156 6.163 -28.442 502 HG2 GLN 63 HG2 GLN 63 19.566 7.698 -30.392 503 HG3 GLN 63 HG3 GLN 63 17.973 7.267 -31.037 504 HE21 GLN 63 HE21 GLN 63 19.646 8.568 -28.168 505 HE22 GLN 63 HE22 GLN 63 18.286 9.508 -27.546 Start of MODEL 4 1 H1 MET 1 H MET 1 4.674 -0.838 -1.368 2 HA MET 1 HA MET 1 2.472 -1.636 -1.360 3 HB2 MET 1 HB2 MET 1 1.319 -0.201 0.094 4 HB3 MET 1 HB3 MET 1 3.037 -0.056 0.464 5 HG2 MET 1 HG2 MET 1 3.158 2.123 -0.575 6 HG3 MET 1 HG3 MET 1 1.578 1.924 -1.336 7 HE1 MET 1 HE1 MET 1 3.538 2.622 1.920 8 HE2 MET 1 HE2 MET 1 2.271 2.725 3.164 9 HE3 MET 1 HE3 MET 1 2.676 1.156 2.436 10 H LYS 2 H LYS 2 2.984 0.381 -4.042 11 HA LYS 2 HA LYS 2 0.289 -0.151 -4.955 12 HB2 LYS 2 HB2 LYS 2 0.156 2.189 -4.012 13 HB3 LYS 2 HB3 LYS 2 1.415 2.663 -5.176 14 HG2 LYS 2 HG2 LYS 2 -0.022 1.888 -7.039 15 HG3 LYS 2 HG3 LYS 2 -1.278 1.394 -5.908 16 HD2 LYS 2 HD2 LYS 2 -1.221 3.889 -5.132 17 HD3 LYS 2 HD3 LYS 2 -0.320 4.180 -6.610 18 HE2 LYS 2 HE2 LYS 2 -2.573 4.645 -7.164 19 HE3 LYS 2 HE3 LYS 2 -2.176 3.102 -7.911 20 HZ1 LYS 2 HZ1 LYS 2 -4.349 3.154 -6.910 21 HZ2 LYS 2 HZ2 LYS 2 -3.745 3.425 -5.406 22 HZ3 LYS 2 HZ3 LYS 2 -3.479 1.988 -6.183 23 H ASN 3 H ASN 3 0.989 -1.504 -6.455 24 HA ASN 3 HA ASN 3 3.600 -1.463 -7.661 25 HB2 ASN 3 HB2 ASN 3 1.382 -2.742 -9.219 26 HB3 ASN 3 HB3 ASN 3 2.979 -3.339 -8.854 27 HD21 ASN 3 HD21 ASN 3 -0.196 -4.068 -8.375 28 HD22 ASN 3 HD22 ASN 3 -0.131 -4.699 -6.751 29 H ALA 4 H ALA 4 4.145 -0.907 -9.886 30 HA ALA 4 HA ALA 4 3.536 1.454 -10.928 31 HB1 ALA 4 HB1 ALA 4 4.217 -1.157 -12.340 32 HB2 ALA 4 HB2 ALA 4 4.297 0.430 -13.115 33 HB3 ALA 4 HB3 ALA 4 5.346 0.056 -11.722 34 H ALA 5 H ALA 5 1.957 -1.574 -11.830 35 HA ALA 5 HA ALA 5 0.353 -0.737 -13.830 36 HB1 ALA 5 HB1 ALA 5 -1.128 -2.628 -13.228 37 HB2 ALA 5 HB2 ALA 5 0.580 -3.083 -13.082 38 HB3 ALA 5 HB3 ALA 5 -0.366 -2.718 -11.626 39 H GLN 6 H GLN 6 -0.412 -0.557 -10.328 40 HA GLN 6 HA GLN 6 -3.034 0.553 -10.647 41 HB2 GLN 6 HB2 GLN 6 -1.001 0.540 -8.389 42 HB3 GLN 6 HB3 GLN 6 -2.571 1.311 -8.281 43 HG2 GLN 6 HG2 GLN 6 -3.665 -0.860 -8.657 44 HG3 GLN 6 HG3 GLN 6 -2.071 -1.635 -8.576 45 HE21 GLN 6 HE21 GLN 6 -1.087 -1.753 -6.460 46 HE22 GLN 6 HE22 GLN 6 -1.983 -1.298 -5.042 47 H ILE 7 H ILE 7 0.228 1.987 -10.319 48 HA ILE 7 HA ILE 7 -0.691 4.651 -9.842 49 HB ILE 7 HB ILE 7 2.005 4.046 -11.098 50 HG12 ILE 7 HG12 ILE 7 1.050 3.318 -8.343 51 HG13 ILE 7 HG13 ILE 7 2.045 2.413 -9.480 52 HG21 ILE 7 HG21 ILE 7 1.150 6.004 -8.896 53 HG22 ILE 7 HG22 ILE 7 2.644 6.072 -9.873 54 HG23 ILE 7 HG23 ILE 7 1.076 6.413 -10.602 55 HD11 ILE 7 HD11 ILE 7 2.892 4.740 -7.769 56 HD12 ILE 7 HD12 ILE 7 3.452 3.071 -7.684 57 HD13 ILE 7 HD13 ILE 7 3.886 4.048 -9.102 58 H VAL 8 H VAL 8 0.143 2.849 -12.788 59 HA VAL 8 HA VAL 8 -0.267 5.148 -14.516 60 HB VAL 8 HB VAL 8 -0.386 2.203 -15.292 61 HG11 VAL 8 HG11 VAL 8 -1.435 3.876 -16.936 62 HG12 VAL 8 HG12 VAL 8 0.170 4.592 -17.104 63 HG13 VAL 8 HG13 VAL 8 -0.112 2.909 -17.551 64 HG21 VAL 8 HG21 VAL 8 1.857 4.230 -15.281 65 HG22 VAL 8 HG22 VAL 8 1.793 2.694 -14.384 66 HG23 VAL 8 HG23 VAL 8 1.944 2.683 -16.133 67 H ASP 9 H ASP 9 -2.361 2.427 -13.471 68 HA ASP 9 HA ASP 9 -4.660 3.098 -14.930 69 HB2 ASP 9 HB2 ASP 9 -4.001 1.606 -12.415 70 HB3 ASP 9 HB3 ASP 9 -5.635 2.143 -12.579 71 H GLU 10 H GLU 10 -3.488 4.357 -11.904 72 HA GLU 10 HA GLU 10 -5.775 6.051 -11.320 73 HB2 GLU 10 HB2 GLU 10 -3.151 5.483 -10.077 74 HB3 GLU 10 HB3 GLU 10 -3.561 7.175 -10.005 75 HG2 GLU 10 HG2 GLU 10 -4.290 5.937 -8.003 76 HG3 GLU 10 HG3 GLU 10 -5.614 6.758 -8.830 77 H ALA 11 H ALA 11 -2.632 6.626 -13.020 78 HA ALA 11 HA ALA 11 -3.042 9.440 -13.405 79 HB1 ALA 11 HB1 ALA 11 -1.134 9.273 -14.925 80 HB2 ALA 11 HB2 ALA 11 -0.833 8.112 -13.639 81 HB3 ALA 11 HB3 ALA 11 -1.444 7.567 -15.213 82 H LEU 12 H LEU 12 -3.807 6.531 -15.272 83 HA LEU 12 HA LEU 12 -4.787 7.600 -17.665 84 HB2 LEU 12 HB2 LEU 12 -4.372 5.279 -17.484 85 HB3 LEU 12 HB3 LEU 12 -5.272 5.121 -16.003 86 HG LEU 12 HG LEU 12 -7.394 5.485 -17.178 87 HD11 LEU 12 HD11 LEU 12 -7.533 5.538 -19.575 88 HD12 LEU 12 HD12 LEU 12 -5.784 5.165 -19.744 89 HD13 LEU 12 HD13 LEU 12 -6.343 6.737 -19.164 90 HD21 LEU 12 HD21 LEU 12 -5.715 3.184 -18.257 91 HD22 LEU 12 HD22 LEU 12 -7.491 3.239 -18.120 92 HD23 LEU 12 HD23 LEU 12 -6.503 3.238 -16.675 93 H ASN 13 H ASN 13 -6.310 7.246 -14.498 94 HA ASN 13 HA ASN 13 -8.993 7.814 -15.206 95 HB2 ASN 13 HB2 ASN 13 -7.821 7.115 -12.911 96 HB3 ASN 13 HB3 ASN 13 -7.824 8.859 -12.640 97 HD21 ASN 13 HD21 ASN 13 -9.629 6.025 -12.252 98 HD22 ASN 13 HD22 ASN 13 -11.169 6.832 -11.915 99 H GLN 14 H GLN 14 -6.185 9.922 -14.895 100 HA GLN 14 HA GLN 14 -7.762 12.404 -15.033 101 HB2 GLN 14 HB2 GLN 14 -4.765 12.331 -14.804 102 HB3 GLN 14 HB3 GLN 14 -5.929 13.512 -14.220 103 HG2 GLN 14 HG2 GLN 14 -6.692 11.619 -12.609 104 HG3 GLN 14 HG3 GLN 14 -5.167 10.837 -13.072 105 HE21 GLN 14 HE21 GLN 14 -3.955 10.972 -11.246 106 HE22 GLN 14 HE22 GLN 14 -3.546 12.464 -10.461 107 H GLY 15 H GLY 15 -7.014 10.192 -17.213 108 HA2 GLY 15 HA2 GLY 15 -6.790 10.226 -19.481 109 HA3 GLY 15 HA3 GLY 15 -6.924 11.990 -19.429 110 H ILE 16 H ILE 16 -4.312 10.038 -17.803 111 HA ILE 16 HA ILE 16 -2.433 10.941 -19.867 112 HB ILE 16 HB ILE 16 -2.199 12.661 -18.345 113 HG12 ILE 16 HG12 ILE 16 -0.143 11.336 -19.090 114 HG13 ILE 16 HG13 ILE 16 0.001 12.706 -18.029 115 HG21 ILE 16 HG21 ILE 16 -3.435 12.003 -16.439 116 HG22 ILE 16 HG22 ILE 16 -2.214 10.798 -16.004 117 HG23 ILE 16 HG23 ILE 16 -1.830 12.536 -15.956 118 HD11 ILE 16 HD11 ILE 16 1.425 10.852 -17.400 119 HD12 ILE 16 HD12 ILE 16 0.299 11.277 -16.102 120 HD13 ILE 16 HD13 ILE 16 0.002 9.835 -17.108 121 H THR 17 H THR 17 -1.082 9.465 -20.481 122 HA THR 17 HA THR 17 -1.024 6.820 -19.123 123 HB THR 17 HB THR 17 -0.233 7.663 -21.971 124 HG1 THR 17 HG1 THR 17 -2.235 6.710 -22.548 125 HG21 THR 17 HG21 THR 17 0.758 5.515 -21.448 126 HG22 THR 17 HG22 THR 17 -0.632 5.219 -22.481 127 HG23 THR 17 HG23 THR 17 -0.765 4.932 -20.734 128 H LEU 18 H LEU 18 1.084 5.724 -19.135 129 HA LEU 18 HA LEU 18 3.383 7.591 -18.936 130 HB2 LEU 18 HB2 LEU 18 2.740 5.198 -17.109 131 HB3 LEU 18 HB3 LEU 18 4.231 6.116 -17.173 132 HG LEU 18 HG LEU 18 3.040 6.867 -15.317 133 HD11 LEU 18 HD11 LEU 18 2.670 9.011 -17.357 134 HD12 LEU 18 HD12 LEU 18 4.272 8.552 -16.667 135 HD13 LEU 18 HD13 LEU 18 2.989 9.203 -15.628 136 HD21 LEU 18 HD21 LEU 18 0.754 6.307 -15.863 137 HD22 LEU 18 HD22 LEU 18 0.650 7.686 -16.958 138 HD23 LEU 18 HD23 LEU 18 0.957 7.947 -15.246 139 H PHE 19 H PHE 19 5.199 6.952 -19.942 140 HA PHE 19 HA PHE 19 5.328 4.238 -21.155 141 HB2 PHE 19 HB2 PHE 19 5.379 6.906 -22.590 142 HB3 PHE 19 HB3 PHE 19 6.091 5.482 -23.305 143 HD1 PHE 19 HD1 PHE 19 3.368 7.391 -23.722 144 HD2 PHE 19 HD2 PHE 19 4.308 3.265 -22.864 145 HE1 PHE 19 HE1 PHE 19 1.317 6.685 -24.866 146 HE2 PHE 19 HE2 PHE 19 2.230 2.560 -23.967 147 HZ PHE 19 HZ PHE 19 0.741 4.216 -25.011 148 H VAL 20 H VAL 20 7.526 3.883 -22.277 149 HA VAL 20 HA VAL 20 9.738 5.267 -20.861 150 HB VAL 20 HB VAL 20 9.090 2.322 -20.859 151 HG11 VAL 20 HG11 VAL 20 11.445 1.706 -20.484 152 HG12 VAL 20 HG12 VAL 20 11.208 2.258 -22.118 153 HG13 VAL 20 HG13 VAL 20 11.980 3.340 -20.933 154 HG21 VAL 20 HG21 VAL 20 8.983 3.860 -18.845 155 HG22 VAL 20 HG22 VAL 20 10.043 2.447 -18.664 156 HG23 VAL 20 HG23 VAL 20 10.730 4.046 -18.982 157 H ALA 21 H ALA 21 11.432 5.749 -22.024 158 HA ALA 21 HA ALA 21 12.185 4.630 -24.589 159 HB1 ALA 21 HB1 ALA 21 11.016 7.428 -24.286 160 HB2 ALA 21 HB2 ALA 21 12.076 6.939 -25.632 161 HB3 ALA 21 HB3 ALA 21 10.500 6.160 -25.407 162 H ASP 22 H ASP 22 14.376 5.381 -24.972 163 HA ASP 22 HA ASP 22 16.504 5.883 -24.198 164 HB2 ASP 22 HB2 ASP 22 14.952 8.119 -24.287 165 HB3 ASP 22 HB3 ASP 22 15.382 8.194 -22.607 166 H ASN 23 H ASN 23 14.847 4.073 -22.494 167 HA ASN 23 HA ASN 23 14.835 2.959 -20.594 168 HB2 ASN 23 HB2 ASN 23 17.326 2.935 -21.157 169 HB3 ASN 23 HB3 ASN 23 17.538 4.180 -19.928 170 HD21 ASN 23 HD21 ASN 23 16.346 0.898 -20.528 171 HD22 ASN 23 HD22 ASN 23 16.550 0.291 -18.882 172 H ARG 24 H ARG 24 14.101 5.995 -20.594 173 HA ARG 24 HA ARG 24 13.993 6.358 -17.632 174 HB2 ARG 24 HB2 ARG 24 14.373 8.616 -17.933 175 HB3 ARG 24 HB3 ARG 24 15.342 7.928 -19.236 176 HG2 ARG 24 HG2 ARG 24 13.464 8.397 -20.818 177 HG3 ARG 24 HG3 ARG 24 12.594 9.199 -19.500 178 HD2 ARG 24 HD2 ARG 24 14.644 10.707 -19.281 179 HD3 ARG 24 HD3 ARG 24 15.241 9.933 -20.764 180 HE ARG 24 HE ARG 24 13.853 11.234 -21.997 181 HH11 ARG 24 HH11 ARG 24 12.399 11.109 -18.742 182 HH12 ARG 24 HH12 ARG 24 11.287 12.389 -19.060 183 HH21 ARG 24 HH21 ARG 24 12.240 12.809 -22.424 184 HH22 ARG 24 HH22 ARG 24 11.196 13.369 -21.151 185 H LEU 25 H LEU 25 12.159 7.667 -16.782 186 HA LEU 25 HA LEU 25 9.637 6.570 -17.724 187 HB2 LEU 25 HB2 LEU 25 10.332 6.999 -15.261 188 HB3 LEU 25 HB3 LEU 25 10.198 8.692 -15.583 189 HG LEU 25 HG LEU 25 8.321 7.649 -14.338 190 HD11 LEU 25 HD11 LEU 25 6.652 8.973 -15.079 191 HD12 LEU 25 HD12 LEU 25 7.038 8.753 -16.785 192 HD13 LEU 25 HD13 LEU 25 8.067 9.787 -15.788 193 HD21 LEU 25 HD21 LEU 25 8.123 5.513 -15.535 194 HD22 LEU 25 HD22 LEU 25 7.490 6.368 -16.964 195 HD23 LEU 25 HD23 LEU 25 6.585 6.384 -15.443 196 H GLN 26 H GLN 26 8.116 7.590 -18.974 197 HA GLN 26 HA GLN 26 8.195 10.489 -19.396 198 HB2 GLN 26 HB2 GLN 26 8.337 8.339 -21.545 199 HB3 GLN 26 HB3 GLN 26 7.559 9.895 -21.831 200 HG2 GLN 26 HG2 GLN 26 9.452 10.951 -22.145 201 HG3 GLN 26 HG3 GLN 26 10.078 10.468 -20.588 202 HE21 GLN 26 HE21 GLN 26 10.480 7.659 -20.955 203 HE22 GLN 26 HE22 GLN 26 11.800 7.587 -22.071 204 H TYR 27 H TYR 27 6.105 11.136 -20.512 205 HA TYR 27 HA TYR 27 3.792 9.488 -19.710 206 HB2 TYR 27 HB2 TYR 27 2.912 11.941 -18.960 207 HB3 TYR 27 HB3 TYR 27 3.583 10.793 -17.837 208 HD1 TYR 27 HD1 TYR 27 5.913 11.029 -16.988 209 HD2 TYR 27 HD2 TYR 27 4.128 14.000 -19.558 210 HE1 TYR 27 HE1 TYR 27 7.749 12.611 -16.427 211 HE2 TYR 27 HE2 TYR 27 5.932 15.589 -18.984 212 HH TYR 27 HH TYR 27 7.793 15.961 -17.738 213 H GLU 28 H GLU 28 1.890 10.084 -20.807 214 HA GLU 28 HA GLU 28 2.153 12.030 -23.030 215 HB2 GLU 28 HB2 GLU 28 2.873 9.742 -23.783 216 HB3 GLU 28 HB3 GLU 28 1.228 9.162 -23.461 217 HG2 GLU 28 HG2 GLU 28 0.328 10.841 -25.055 218 HG3 GLU 28 HG3 GLU 28 1.960 11.478 -25.327 219 H THR 29 H THR 29 0.412 13.251 -23.090 220 HA THR 29 HA THR 29 -2.265 12.235 -22.513 221 HB THR 29 HB THR 29 -1.372 12.830 -20.318 222 HG1 THR 29 HG1 THR 29 -3.533 13.255 -20.568 223 HG21 THR 29 HG21 THR 29 -0.945 15.644 -21.375 224 HG22 THR 29 HG22 THR 29 0.322 14.520 -20.843 225 HG23 THR 29 HG23 THR 29 -0.847 15.154 -19.678 226 H SER 30 H SER 30 -3.915 13.623 -23.296 227 HA SER 30 HA SER 30 -3.048 15.513 -25.376 228 HB2 SER 30 HB2 SER 30 -4.493 13.591 -25.863 229 HB3 SER 30 HB3 SER 30 -5.730 14.231 -24.777 230 HG SER 30 HG SER 30 -5.721 16.110 -26.194 231 H ARG 31 H ARG 31 -3.310 15.870 -22.223 232 HA ARG 31 HA ARG 31 -5.287 17.904 -21.785 233 HB2 ARG 31 HB2 ARG 31 -2.769 16.957 -20.352 234 HB3 ARG 31 HB3 ARG 31 -3.646 18.360 -19.769 235 HG2 ARG 31 HG2 ARG 31 -5.646 17.160 -19.389 236 HG3 ARG 31 HG3 ARG 31 -5.060 15.703 -20.195 237 HD2 ARG 31 HD2 ARG 31 -3.710 15.077 -18.420 238 HD3 ARG 31 HD3 ARG 31 -3.434 16.725 -17.881 239 HE ARG 31 HE ARG 31 -6.118 15.450 -17.588 240 HH11 ARG 31 HH11 ARG 31 -3.204 16.615 -15.902 241 HH12 ARG 31 HH12 ARG 31 -4.018 16.495 -14.349 242 HH21 ARG 31 HH21 ARG 31 -7.117 15.583 -15.621 243 HH22 ARG 31 HH22 ARG 31 -6.220 15.978 -14.184 244 H ASP 32 H ASP 32 -4.451 20.166 -20.963 245 HA ASP 32 HA ASP 32 -3.135 21.411 -23.274 246 HB2 ASP 32 HB2 ASP 32 -4.155 22.655 -20.697 247 HB3 ASP 32 HB3 ASP 32 -3.735 23.506 -22.183 248 H ASN 33 H ASN 33 -2.274 20.337 -20.111 249 HA ASN 33 HA ASN 33 0.498 20.493 -20.268 250 HB2 ASN 33 HB2 ASN 33 0.998 22.123 -18.514 251 HB3 ASN 33 HB3 ASN 33 0.190 22.948 -19.834 252 HD21 ASN 33 HD21 ASN 33 0.231 22.892 -16.425 253 HD22 ASN 33 HD22 ASN 33 -1.433 23.348 -16.214 254 H ILE 34 H ILE 34 1.350 19.519 -18.234 255 HA ILE 34 HA ILE 34 -0.740 17.961 -16.804 256 HB ILE 34 HB ILE 34 0.940 16.682 -18.067 257 HG12 ILE 34 HG12 ILE 34 1.940 15.324 -16.044 258 HG13 ILE 34 HG13 ILE 34 0.982 16.383 -15.028 259 HG21 ILE 34 HG21 ILE 34 3.266 16.608 -17.501 260 HG22 ILE 34 HG22 ILE 34 2.833 18.260 -17.913 261 HG23 ILE 34 HG23 ILE 34 3.035 17.812 -16.203 262 HD11 ILE 34 HD11 ILE 34 -0.204 14.257 -15.634 263 HD12 ILE 34 HD12 ILE 34 -1.086 15.664 -16.272 264 HD13 ILE 34 HD13 ILE 34 -0.084 14.702 -17.350 265 HA PRO 35 HA PRO 35 0.208 20.626 -13.394 266 HB2 PRO 35 HB2 PRO 35 -0.696 19.017 -11.267 267 HB3 PRO 35 HB3 PRO 35 -1.734 20.106 -12.246 268 HG2 PRO 35 HG2 PRO 35 -1.270 17.190 -12.379 269 HG3 PRO 35 HG3 PRO 35 -2.790 18.061 -12.731 270 HD2 PRO 35 HD2 PRO 35 -1.072 16.998 -14.603 271 HD3 PRO 35 HD3 PRO 35 -2.092 18.413 -14.963 272 H GLU 36 H GLU 36 1.673 20.796 -11.630 273 HA GLU 36 HA GLU 36 4.019 19.199 -11.900 274 HB2 GLU 36 HB2 GLU 36 4.798 20.385 -9.848 275 HB3 GLU 36 HB3 GLU 36 4.249 21.432 -11.175 276 HG2 GLU 36 HG2 GLU 36 1.955 21.492 -9.879 277 HG3 GLU 36 HG3 GLU 36 2.860 20.829 -8.543 278 H GLU 37 H GLU 37 1.346 19.004 -9.595 279 HA GLU 37 HA GLU 37 2.676 17.261 -7.762 280 HB2 GLU 37 HB2 GLU 37 0.477 16.680 -6.913 281 HB3 GLU 37 HB3 GLU 37 0.688 18.413 -7.147 282 HG2 GLU 37 HG2 GLU 37 -0.512 17.857 -9.497 283 HG3 GLU 37 HG3 GLU 37 -1.099 16.478 -8.592 284 H LEU 38 H LEU 38 0.843 16.588 -10.761 285 HA LEU 38 HA LEU 38 0.868 13.735 -10.545 286 HB2 LEU 38 HB2 LEU 38 0.609 15.757 -12.771 287 HB3 LEU 38 HB3 LEU 38 0.914 14.118 -13.233 288 HG LEU 38 HG LEU 38 -1.533 15.053 -13.147 289 HD11 LEU 38 HD11 LEU 38 -0.794 12.722 -13.663 290 HD12 LEU 38 HD12 LEU 38 -2.391 12.881 -12.974 291 HD13 LEU 38 HD13 LEU 38 -1.042 12.355 -11.938 292 HD21 LEU 38 HD21 LEU 38 -1.433 15.813 -10.739 293 HD22 LEU 38 HD22 LEU 38 -1.333 14.120 -10.249 294 HD23 LEU 38 HD23 LEU 38 -2.763 14.712 -11.107 295 H LEU 39 H LEU 39 3.072 16.094 -12.047 296 HA LEU 39 HA LEU 39 4.951 14.195 -13.044 297 HB2 LEU 39 HB2 LEU 39 5.371 17.078 -12.126 298 HB3 LEU 39 HB3 LEU 39 6.593 16.114 -12.934 299 HG LEU 39 HG LEU 39 3.894 16.849 -14.145 300 HD11 LEU 39 HD11 LEU 39 5.352 18.793 -13.892 301 HD12 LEU 39 HD12 LEU 39 5.283 18.333 -15.597 302 HD13 LEU 39 HD13 LEU 39 6.706 17.916 -14.617 303 HD21 LEU 39 HD21 LEU 39 6.284 15.294 -15.182 304 HD22 LEU 39 HD22 LEU 39 5.100 16.048 -16.261 305 HD23 LEU 39 HD23 LEU 39 4.576 14.789 -15.144 306 H ASN 40 H ASN 40 4.944 16.031 -10.001 307 HA ASN 40 HA ASN 40 7.241 14.949 -8.818 308 HB2 ASN 40 HB2 ASN 40 4.771 16.349 -7.810 309 HB3 ASN 40 HB3 ASN 40 5.842 15.579 -6.646 310 HD21 ASN 40 HD21 ASN 40 5.528 18.151 -8.983 311 HD22 ASN 40 HD22 ASN 40 7.015 19.006 -8.600 312 H GLU 41 H GLU 41 3.950 13.652 -8.857 313 HA GLU 41 HA GLU 41 4.361 11.587 -6.895 314 HB2 GLU 41 HB2 GLU 41 2.335 12.338 -8.952 315 HB3 GLU 41 HB3 GLU 41 2.258 10.738 -8.259 316 HG2 GLU 41 HG2 GLU 41 2.401 12.015 -5.952 317 HG3 GLU 41 HG3 GLU 41 1.833 13.394 -6.863 318 H TRP 42 H TRP 42 4.057 11.545 -10.446 319 HA TRP 42 HA TRP 42 4.827 8.872 -10.921 320 HB2 TRP 42 HB2 TRP 42 4.889 11.370 -12.608 321 HB3 TRP 42 HB3 TRP 42 5.092 9.802 -13.265 322 HD1 TRP 42 HD1 TRP 42 2.924 11.295 -14.524 323 HE1 TRP 42 HE1 TRP 42 0.411 10.989 -14.178 324 HE3 TRP 42 HE3 TRP 42 2.908 8.875 -9.941 325 HZ2 TRP 42 HZ2 TRP 42 -1.367 10.113 -12.112 326 HZ3 TRP 42 HZ3 TRP 42 0.790 8.472 -8.798 327 HH2 TRP 42 HH2 TRP 42 -1.365 9.056 -9.871 328 H LYS 43 H LYS 43 6.810 11.767 -10.464 329 HA LYS 43 HA LYS 43 9.337 10.669 -11.269 330 HB2 LYS 43 HB2 LYS 43 8.346 13.015 -9.605 331 HB3 LYS 43 HB3 LYS 43 10.072 12.603 -9.648 332 HG2 LYS 43 HG2 LYS 43 10.117 12.805 -12.033 333 HG3 LYS 43 HG3 LYS 43 8.426 13.090 -12.147 334 HD2 LYS 43 HD2 LYS 43 8.585 15.294 -11.723 335 HD3 LYS 43 HD3 LYS 43 9.554 14.993 -10.282 336 HE2 LYS 43 HE2 LYS 43 10.791 16.394 -11.831 337 HE3 LYS 43 HE3 LYS 43 11.600 14.842 -11.592 338 HZ1 LYS 43 HZ1 LYS 43 9.960 15.586 -13.944 339 HZ2 LYS 43 HZ2 LYS 43 10.697 14.127 -13.742 340 HZ3 LYS 43 HZ3 LYS 43 11.576 15.506 -13.904 341 H TYR 44 H TYR 44 7.422 10.513 -8.297 342 HA TYR 44 HA TYR 44 9.518 9.663 -6.557 343 HB2 TYR 44 HB2 TYR 44 7.146 10.494 -5.996 344 HB3 TYR 44 HB3 TYR 44 6.578 8.879 -6.332 345 HD1 TYR 44 HD1 TYR 44 8.088 11.054 -3.927 346 HD2 TYR 44 HD2 TYR 44 7.402 6.907 -4.901 347 HE1 TYR 44 HE1 TYR 44 8.471 10.454 -1.588 348 HE2 TYR 44 HE2 TYR 44 7.716 6.286 -2.536 349 HH TYR 44 HH TYR 44 8.060 7.106 -0.340 350 H TYR 45 H TYR 45 6.860 7.606 -7.941 351 HA TYR 45 HA TYR 45 8.464 5.219 -7.633 352 HB2 TYR 45 HB2 TYR 45 5.635 5.726 -8.621 353 HB3 TYR 45 HB3 TYR 45 6.339 4.145 -8.436 354 HD1 TYR 45 HD1 TYR 45 7.509 3.638 -6.111 355 HD2 TYR 45 HD2 TYR 45 4.292 6.446 -6.741 356 HE1 TYR 45 HE1 TYR 45 6.768 3.297 -3.786 357 HE2 TYR 45 HE2 TYR 45 3.504 6.064 -4.447 358 HH TYR 45 HH TYR 45 3.716 4.715 -2.525 359 H ARG 46 H ARG 46 9.162 7.337 -9.874 360 HA ARG 46 HA ARG 46 8.546 6.340 -12.358 361 HB2 ARG 46 HB2 ARG 46 10.223 7.592 -13.226 362 HB3 ARG 46 HB3 ARG 46 9.963 8.422 -11.713 363 HG2 ARG 46 HG2 ARG 46 12.177 6.383 -12.239 364 HG3 ARG 46 HG3 ARG 46 12.359 8.113 -12.445 365 HD2 ARG 46 HD2 ARG 46 12.212 8.598 -10.263 366 HD3 ARG 46 HD3 ARG 46 11.258 7.191 -9.810 367 HE ARG 46 HE ARG 46 13.940 6.550 -10.701 368 HH11 ARG 46 HH11 ARG 46 11.879 7.316 -7.817 369 HH12 ARG 46 HH12 ARG 46 13.071 6.809 -6.706 370 HH21 ARG 46 HH21 ARG 46 15.405 5.696 -9.152 371 HH22 ARG 46 HH22 ARG 46 15.144 6.002 -7.455 372 H GLN 47 H GLN 47 10.975 5.048 -10.069 373 HA GLN 47 HA GLN 47 12.144 3.202 -11.871 374 HB2 GLN 47 HB2 GLN 47 13.123 3.930 -9.658 375 HB3 GLN 47 HB3 GLN 47 11.880 2.997 -8.824 376 HG2 GLN 47 HG2 GLN 47 14.003 1.750 -8.951 377 HG3 GLN 47 HG3 GLN 47 12.743 0.905 -9.856 378 HE21 GLN 47 HE21 GLN 47 13.421 0.224 -11.900 379 HE22 GLN 47 HE22 GLN 47 14.595 1.034 -12.909 380 H ASP 48 H ASP 48 9.354 2.865 -9.503 381 HA ASP 48 HA ASP 48 9.112 0.052 -10.056 382 HB2 ASP 48 HB2 ASP 48 7.898 1.574 -8.186 383 HB3 ASP 48 HB3 ASP 48 6.631 1.652 -9.398 384 H LEU 49 H LEU 49 7.593 2.944 -11.340 385 HA LEU 49 HA LEU 49 5.843 1.798 -13.200 386 HB2 LEU 49 HB2 LEU 49 7.211 4.497 -13.077 387 HB3 LEU 49 HB3 LEU 49 6.334 3.997 -14.498 388 HG LEU 49 HG LEU 49 4.644 3.319 -12.269 389 HD11 LEU 49 HD11 LEU 49 5.904 6.070 -11.958 390 HD12 LEU 49 HD12 LEU 49 5.592 4.800 -10.765 391 HD13 LEU 49 HD13 LEU 49 4.243 5.697 -11.416 392 HD21 LEU 49 HD21 LEU 49 4.489 5.345 -14.475 393 HD22 LEU 49 HD22 LEU 49 3.148 4.891 -13.368 394 HD23 LEU 49 HD23 LEU 49 3.911 3.683 -14.415 395 H ILE 50 H ILE 50 9.088 3.114 -13.990 396 HA ILE 50 HA ILE 50 9.221 2.315 -16.589 397 HB ILE 50 HB ILE 50 11.368 2.453 -14.434 398 HG12 ILE 50 HG12 ILE 50 11.287 4.248 -16.865 399 HG13 ILE 50 HG13 ILE 50 10.111 4.522 -15.605 400 HG21 ILE 50 HG21 ILE 50 13.071 2.458 -16.361 401 HG22 ILE 50 HG22 ILE 50 12.340 0.902 -15.950 402 HG23 ILE 50 HG23 ILE 50 11.756 1.790 -17.364 403 HD11 ILE 50 HD11 ILE 50 12.093 4.660 -13.951 404 HD12 ILE 50 HD12 ILE 50 13.172 4.484 -15.337 405 HD13 ILE 50 HD13 ILE 50 12.152 5.905 -15.194 406 H ASP 51 H ASP 51 10.098 0.268 -13.789 407 HA ASP 51 HA ASP 51 11.074 -1.939 -15.109 408 HB2 ASP 51 HB2 ASP 51 10.638 -1.255 -12.553 409 HB3 ASP 51 HB3 ASP 51 9.200 -2.262 -12.743 410 H PHE 52 H PHE 52 7.704 -0.999 -14.720 411 HA PHE 52 HA PHE 52 6.683 -3.447 -16.015 412 HB2 PHE 52 HB2 PHE 52 5.614 -1.268 -14.290 413 HB3 PHE 52 HB3 PHE 52 4.550 -1.720 -15.601 414 HD1 PHE 52 HD1 PHE 52 6.638 -3.293 -12.889 415 HD2 PHE 52 HD2 PHE 52 3.129 -3.567 -15.395 416 HE1 PHE 52 HE1 PHE 52 5.977 -5.393 -11.752 417 HE2 PHE 52 HE2 PHE 52 2.473 -5.620 -14.295 418 HZ PHE 52 HZ PHE 52 3.939 -6.591 -12.418 419 H LEU 53 H LEU 53 7.147 0.012 -16.650 420 HA LEU 53 HA LEU 53 5.520 0.114 -18.979 421 HB2 LEU 53 HB2 LEU 53 7.990 1.738 -18.265 422 HB3 LEU 53 HB3 LEU 53 6.868 2.211 -19.502 423 HG LEU 53 HG LEU 53 6.764 2.568 -16.596 424 HD11 LEU 53 HD11 LEU 53 7.029 4.381 -18.163 425 HD12 LEU 53 HD12 LEU 53 5.655 4.554 -17.073 426 HD13 LEU 53 HD13 LEU 53 5.390 4.030 -18.754 427 HD21 LEU 53 HD21 LEU 53 4.291 2.724 -16.459 428 HD22 LEU 53 HD22 LEU 53 4.845 1.068 -16.634 429 HD23 LEU 53 HD23 LEU 53 4.165 1.928 -18.039 430 H GLN 54 H GLN 54 8.952 -0.687 -18.563 431 HA GLN 54 HA GLN 54 9.681 -0.715 -21.283 432 HB2 GLN 54 HB2 GLN 54 10.613 -2.783 -19.266 433 HB3 GLN 54 HB3 GLN 54 11.454 -2.232 -20.697 434 HG2 GLN 54 HG2 GLN 54 11.024 0.059 -19.019 435 HG3 GLN 54 HG3 GLN 54 11.504 -1.246 -17.960 436 HE21 GLN 54 HE21 GLN 54 12.872 1.275 -18.852 437 HE22 GLN 54 HE22 GLN 54 14.487 0.711 -19.296 438 H GLN 55 H GLN 55 8.048 -3.126 -19.270 439 HA GLN 55 HA GLN 55 7.914 -5.295 -21.181 440 HB2 GLN 55 HB2 GLN 55 6.374 -4.805 -18.586 441 HB3 GLN 55 HB3 GLN 55 6.573 -6.346 -19.394 442 HG2 GLN 55 HG2 GLN 55 8.928 -4.736 -18.292 443 HG3 GLN 55 HG3 GLN 55 8.030 -5.885 -17.326 444 HE21 GLN 55 HE21 GLN 55 7.769 -8.165 -18.308 445 HE22 GLN 55 HE22 GLN 55 8.979 -8.705 -19.472 446 H LEU 56 H LEU 56 5.940 -2.473 -20.550 447 HA LEU 56 HA LEU 56 3.480 -3.697 -21.556 448 HB2 LEU 56 HB2 LEU 56 4.295 -1.115 -20.362 449 HB3 LEU 56 HB3 LEU 56 3.271 -0.896 -21.773 450 HG LEU 56 HG LEU 56 1.835 -2.867 -20.552 451 HD11 LEU 56 HD11 LEU 56 1.765 -2.463 -18.121 452 HD12 LEU 56 HD12 LEU 56 3.156 -1.355 -18.252 453 HD13 LEU 56 HD13 LEU 56 3.341 -3.074 -18.636 454 HD21 LEU 56 HD21 LEU 56 0.444 -0.998 -19.578 455 HD22 LEU 56 HD22 LEU 56 0.835 -0.880 -21.289 456 HD23 LEU 56 HD23 LEU 56 1.733 0.119 -20.156 457 H ASP 57 H ASP 57 5.989 -1.437 -22.746 458 HA ASP 57 HA ASP 57 4.798 -1.372 -25.430 459 HB2 ASP 57 HB2 ASP 57 6.074 0.515 -24.306 460 HB3 ASP 57 HB3 ASP 57 7.555 -0.400 -24.609 461 H ALA 58 H ALA 58 7.202 -3.276 -23.702 462 HA ALA 58 HA ALA 58 8.507 -5.013 -24.201 463 HB1 ALA 58 HB1 ALA 58 6.501 -5.486 -26.409 464 HB2 ALA 58 HB2 ALA 58 7.596 -6.678 -25.697 465 HB3 ALA 58 HB3 ALA 58 6.317 -5.970 -24.688 466 H LYS 59 H LYS 59 9.107 -2.468 -25.545 467 HA LYS 59 HA LYS 59 9.990 -2.649 -28.130 468 HB2 LYS 59 HB2 LYS 59 9.878 -0.573 -26.779 469 HB3 LYS 59 HB3 LYS 59 11.219 -1.126 -25.783 470 HG2 LYS 59 HG2 LYS 59 11.953 0.512 -27.430 471 HG3 LYS 59 HG3 LYS 59 12.731 -1.043 -27.729 472 HD2 LYS 59 HD2 LYS 59 11.131 -1.495 -29.577 473 HD3 LYS 59 HD3 LYS 59 10.286 0.021 -29.207 474 HE2 LYS 59 HE2 LYS 59 12.625 1.144 -29.484 475 HE3 LYS 59 HE3 LYS 59 13.134 -0.382 -30.218 476 HZ1 LYS 59 HZ1 LYS 59 11.155 -0.011 -31.742 477 HZ2 LYS 59 HZ2 LYS 59 12.480 0.937 -31.969 478 HZ3 LYS 59 HZ3 LYS 59 11.171 1.569 -31.198 479 H GLU 60 H GLU 60 11.342 -4.012 -29.049 480 HA GLU 60 HA GLU 60 13.206 -5.679 -27.653 481 HB2 GLU 60 HB2 GLU 60 12.950 -4.915 -30.598 482 HB3 GLU 60 HB3 GLU 60 14.209 -6.003 -30.021 483 HG2 GLU 60 HG2 GLU 60 11.229 -6.485 -29.676 484 HG3 GLU 60 HG3 GLU 60 12.232 -7.184 -30.954 485 H GLU 61 H GLU 61 15.224 -5.230 -26.921 486 HA GLU 61 HA GLU 61 16.686 -2.893 -28.010 487 HB2 GLU 61 HB2 GLU 61 16.117 -3.602 -25.097 488 HB3 GLU 61 HB3 GLU 61 17.483 -2.596 -25.565 489 HG2 GLU 61 HG2 GLU 61 14.552 -1.959 -26.062 490 HG3 GLU 61 HG3 GLU 61 15.617 -1.194 -24.886 491 H THR 62 H THR 62 18.995 -2.984 -27.562 492 HA THR 62 HA THR 62 19.999 -5.655 -28.078 493 HB THR 62 HB THR 62 20.570 -3.334 -29.162 494 HG1 THR 62 HG1 THR 62 21.483 -5.009 -29.875 495 HG21 THR 62 HG21 THR 62 22.513 -2.190 -28.307 496 HG22 THR 62 HG22 THR 62 22.622 -3.304 -26.937 497 HG23 THR 62 HG23 THR 62 21.258 -2.178 -27.061 498 H GLN 63 H GLN 63 22.013 -6.374 -26.867 499 HA GLN 63 HA GLN 63 22.212 -5.598 -24.055 500 HB2 GLN 63 HB2 GLN 63 21.694 -8.457 -25.039 501 HB3 GLN 63 HB3 GLN 63 22.117 -7.984 -23.390 502 HG2 GLN 63 HG2 GLN 63 20.014 -6.605 -23.287 503 HG3 GLN 63 HG3 GLN 63 19.576 -7.187 -24.895 504 HE21 GLN 63 HE21 GLN 63 17.950 -8.673 -24.752 505 HE22 GLN 63 HE22 GLN 63 17.855 -9.951 -23.586 Start of MODEL 5 1 H1 MET 1 H MET 1 1.104 0.802 -0.015 2 HA MET 1 HA MET 1 3.440 -0.180 -1.555 3 HB2 MET 1 HB2 MET 1 1.249 -1.733 -0.128 4 HB3 MET 1 HB3 MET 1 2.268 -2.431 -1.387 5 HG2 MET 1 HG2 MET 1 3.117 -2.976 0.822 6 HG3 MET 1 HG3 MET 1 4.278 -2.051 -0.101 7 HE1 MET 1 HE1 MET 1 5.242 -0.906 3.438 8 HE2 MET 1 HE2 MET 1 4.804 -2.533 2.890 9 HE3 MET 1 HE3 MET 1 5.812 -1.488 1.860 10 H LYS 2 H LYS 2 3.064 0.560 -3.650 11 HA LYS 2 HA LYS 2 0.464 -0.146 -4.843 12 HB2 LYS 2 HB2 LYS 2 0.321 2.203 -3.952 13 HB3 LYS 2 HB3 LYS 2 1.645 2.632 -5.050 14 HG2 LYS 2 HG2 LYS 2 0.239 1.920 -6.963 15 HG3 LYS 2 HG3 LYS 2 -1.085 1.557 -5.839 16 HD2 LYS 2 HD2 LYS 2 -0.816 4.012 -5.051 17 HD3 LYS 2 HD3 LYS 2 0.156 4.249 -6.521 18 HE2 LYS 2 HE2 LYS 2 -1.720 3.612 -7.931 19 HE3 LYS 2 HE3 LYS 2 -2.642 3.069 -6.528 20 HZ1 LYS 2 HZ1 LYS 2 -3.417 5.116 -7.254 21 HZ2 LYS 2 HZ2 LYS 2 -1.950 5.866 -7.137 22 HZ3 LYS 2 HZ3 LYS 2 -2.749 5.373 -5.775 23 H ASN 3 H ASN 3 1.141 -1.421 -6.439 24 HA ASN 3 HA ASN 3 3.781 -1.248 -7.618 25 HB2 ASN 3 HB2 ASN 3 1.730 -2.783 -9.138 26 HB3 ASN 3 HB3 ASN 3 3.348 -3.260 -8.630 27 HD21 ASN 3 HD21 ASN 3 0.124 -4.004 -8.247 28 HD22 ASN 3 HD22 ASN 3 0.092 -4.610 -6.642 29 H ALA 4 H ALA 4 4.179 -0.892 -9.901 30 HA ALA 4 HA ALA 4 3.504 1.468 -11.017 31 HB1 ALA 4 HB1 ALA 4 4.200 -1.111 -12.405 32 HB2 ALA 4 HB2 ALA 4 4.349 0.509 -13.107 33 HB3 ALA 4 HB3 ALA 4 5.351 0.047 -11.698 34 H ALA 5 H ALA 5 1.915 -1.581 -11.682 35 HA ALA 5 HA ALA 5 0.231 -0.787 -13.690 36 HB1 ALA 5 HB1 ALA 5 -1.287 -2.645 -12.883 37 HB2 ALA 5 HB2 ALA 5 0.419 -3.128 -12.954 38 HB3 ALA 5 HB3 ALA 5 -0.340 -2.730 -11.393 39 H GLN 6 H GLN 6 -0.390 -0.526 -10.166 40 HA GLN 6 HA GLN 6 -2.996 0.676 -10.403 41 HB2 GLN 6 HB2 GLN 6 -0.905 0.601 -8.208 42 HB3 GLN 6 HB3 GLN 6 -2.499 1.358 -8.006 43 HG2 GLN 6 HG2 GLN 6 -3.571 -0.812 -8.374 44 HG3 GLN 6 HG3 GLN 6 -1.988 -1.586 -8.555 45 HE21 GLN 6 HE21 GLN 6 -0.657 -1.816 -6.619 46 HE22 GLN 6 HE22 GLN 6 -1.432 -1.660 -5.033 47 H ILE 7 H ILE 7 0.337 1.994 -10.197 48 HA ILE 7 HA ILE 7 -0.509 4.686 -9.724 49 HB ILE 7 HB ILE 7 2.098 3.985 -11.118 50 HG12 ILE 7 HG12 ILE 7 1.277 3.332 -8.307 51 HG13 ILE 7 HG13 ILE 7 2.369 2.506 -9.397 52 HG21 ILE 7 HG21 ILE 7 2.838 6.045 -10.025 53 HG22 ILE 7 HG22 ILE 7 1.339 6.361 -10.882 54 HG23 ILE 7 HG23 ILE 7 1.311 6.152 -9.115 55 HD11 ILE 7 HD11 ILE 7 4.006 4.401 -8.968 56 HD12 ILE 7 HD12 ILE 7 2.905 4.953 -7.683 57 HD13 ILE 7 HD13 ILE 7 3.654 3.350 -7.578 58 H VAL 8 H VAL 8 0.420 2.942 -12.736 59 HA VAL 8 HA VAL 8 -0.167 5.163 -14.437 60 HB VAL 8 HB VAL 8 -0.256 2.218 -15.197 61 HG11 VAL 8 HG11 VAL 8 -1.318 3.677 -16.889 62 HG12 VAL 8 HG12 VAL 8 0.139 4.686 -16.938 63 HG13 VAL 8 HG13 VAL 8 0.193 2.994 -17.488 64 HG21 VAL 8 HG21 VAL 8 2.023 4.163 -15.153 65 HG22 VAL 8 HG22 VAL 8 1.905 2.599 -14.337 66 HG23 VAL 8 HG23 VAL 8 2.044 2.643 -16.091 67 H ASP 9 H ASP 9 -2.234 2.567 -13.192 68 HA ASP 9 HA ASP 9 -4.514 3.161 -14.777 69 HB2 ASP 9 HB2 ASP 9 -3.995 1.613 -12.310 70 HB3 ASP 9 HB3 ASP 9 -5.559 2.408 -12.275 71 H GLU 10 H GLU 10 -3.384 4.584 -11.725 72 HA GLU 10 HA GLU 10 -5.671 6.264 -11.322 73 HB2 GLU 10 HB2 GLU 10 -3.156 5.734 -9.998 74 HB3 GLU 10 HB3 GLU 10 -3.195 7.456 -10.327 75 HG2 GLU 10 HG2 GLU 10 -4.157 7.123 -8.177 76 HG3 GLU 10 HG3 GLU 10 -5.479 7.565 -9.268 77 H ALA 11 H ALA 11 -2.528 6.783 -12.989 78 HA ALA 11 HA ALA 11 -3.034 9.544 -13.592 79 HB1 ALA 11 HB1 ALA 11 -1.234 7.714 -15.203 80 HB2 ALA 11 HB2 ALA 11 -1.034 9.452 -14.899 81 HB3 ALA 11 HB3 ALA 11 -0.785 8.298 -13.591 82 H LEU 12 H LEU 12 -3.604 6.526 -15.376 83 HA LEU 12 HA LEU 12 -4.376 7.493 -17.863 84 HB2 LEU 12 HB2 LEU 12 -4.114 5.125 -17.539 85 HB3 LEU 12 HB3 LEU 12 -5.301 5.100 -16.237 86 HG LEU 12 HG LEU 12 -7.106 5.657 -17.833 87 HD11 LEU 12 HD11 LEU 12 -6.840 5.710 -20.153 88 HD12 LEU 12 HD12 LEU 12 -5.217 5.016 -20.120 89 HD13 LEU 12 HD13 LEU 12 -5.487 6.688 -19.607 90 HD21 LEU 12 HD21 LEU 12 -7.281 3.454 -18.844 91 HD22 LEU 12 HD22 LEU 12 -6.650 3.321 -17.200 92 HD23 LEU 12 HD23 LEU 12 -5.548 3.158 -18.591 93 H ASN 13 H ASN 13 -6.327 7.150 -14.901 94 HA ASN 13 HA ASN 13 -8.842 7.862 -15.859 95 HB2 ASN 13 HB2 ASN 13 -7.976 6.921 -13.600 96 HB3 ASN 13 HB3 ASN 13 -7.690 8.605 -13.146 97 HD21 ASN 13 HD21 ASN 13 -9.485 6.575 -12.060 98 HD22 ASN 13 HD22 ASN 13 -11.064 7.362 -12.024 99 H GLN 14 H GLN 14 -6.051 9.864 -14.968 100 HA GLN 14 HA GLN 14 -7.538 12.393 -15.180 101 HB2 GLN 14 HB2 GLN 14 -4.551 12.169 -14.763 102 HB3 GLN 14 HB3 GLN 14 -5.663 13.473 -14.342 103 HG2 GLN 14 HG2 GLN 14 -6.727 11.590 -12.808 104 HG3 GLN 14 HG3 GLN 14 -5.160 10.813 -13.048 105 HE21 GLN 14 HE21 GLN 14 -4.731 10.919 -10.859 106 HE22 GLN 14 HE22 GLN 14 -4.203 12.378 -10.053 107 H GLY 15 H GLY 15 -6.748 10.338 -17.487 108 HA2 GLY 15 HA2 GLY 15 -6.550 10.605 -19.749 109 HA3 GLY 15 HA3 GLY 15 -6.487 12.348 -19.527 110 H ILE 16 H ILE 16 -4.027 10.605 -17.683 111 HA ILE 16 HA ILE 16 -2.024 11.205 -19.791 112 HB ILE 16 HB ILE 16 -1.840 12.909 -18.202 113 HG12 ILE 16 HG12 ILE 16 0.220 11.618 -18.862 114 HG13 ILE 16 HG13 ILE 16 0.287 12.937 -17.723 115 HG21 ILE 16 HG21 ILE 16 -1.597 12.618 -15.761 116 HG22 ILE 16 HG22 ILE 16 -3.206 12.267 -16.387 117 HG23 ILE 16 HG23 ILE 16 -2.121 10.946 -15.957 118 HD11 ILE 16 HD11 ILE 16 0.350 9.992 -17.015 119 HD12 ILE 16 HD12 ILE 16 1.702 11.140 -17.015 120 HD13 ILE 16 HD13 ILE 16 0.397 11.341 -15.847 121 H THR 17 H THR 17 -0.684 9.603 -20.316 122 HA THR 17 HA THR 17 -0.744 7.154 -18.569 123 HB THR 17 HB THR 17 -0.251 7.368 -21.577 124 HG1 THR 17 HG1 THR 17 -2.318 7.573 -21.443 125 HG21 THR 17 HG21 THR 17 0.910 5.429 -20.775 126 HG22 THR 17 HG22 THR 17 -0.624 4.832 -21.397 127 HG23 THR 17 HG23 THR 17 -0.391 5.000 -19.648 128 H LEU 18 H LEU 18 1.263 5.928 -18.558 129 HA LEU 18 HA LEU 18 3.649 7.683 -18.532 130 HB2 LEU 18 HB2 LEU 18 2.957 5.327 -16.666 131 HB3 LEU 18 HB3 LEU 18 4.478 6.197 -16.775 132 HG LEU 18 HG LEU 18 3.427 6.999 -14.883 133 HD11 LEU 18 HD11 LEU 18 2.799 9.172 -16.874 134 HD12 LEU 18 HD12 LEU 18 4.490 8.714 -16.441 135 HD13 LEU 18 HD13 LEU 18 3.380 9.329 -15.213 136 HD21 LEU 18 HD21 LEU 18 0.959 7.851 -16.389 137 HD22 LEU 18 HD22 LEU 18 1.279 7.864 -14.637 138 HD23 LEU 18 HD23 LEU 18 1.110 6.332 -15.511 139 H PHE 19 H PHE 19 5.197 6.986 -19.885 140 HA PHE 19 HA PHE 19 5.234 4.139 -20.751 141 HB2 PHE 19 HB2 PHE 19 5.373 6.552 -22.584 142 HB3 PHE 19 HB3 PHE 19 5.691 4.910 -23.084 143 HD1 PHE 19 HD1 PHE 19 3.392 7.265 -23.650 144 HD2 PHE 19 HD2 PHE 19 3.539 3.279 -22.004 145 HE1 PHE 19 HE1 PHE 19 1.060 6.866 -24.388 146 HE2 PHE 19 HE2 PHE 19 1.204 2.910 -22.702 147 HZ PHE 19 HZ PHE 19 -0.031 4.687 -23.942 148 H VAL 20 H VAL 20 7.330 3.715 -21.978 149 HA VAL 20 HA VAL 20 9.621 5.217 -20.808 150 HB VAL 20 HB VAL 20 8.989 2.275 -20.838 151 HG11 VAL 20 HG11 VAL 20 11.336 1.626 -20.587 152 HG12 VAL 20 HG12 VAL 20 11.082 2.274 -22.195 153 HG13 VAL 20 HG13 VAL 20 11.876 3.279 -20.959 154 HG21 VAL 20 HG21 VAL 20 10.712 3.951 -18.993 155 HG22 VAL 20 HG22 VAL 20 8.962 3.803 -18.826 156 HG23 VAL 20 HG23 VAL 20 9.993 2.363 -18.686 157 H ALA 21 H ALA 21 11.316 5.515 -22.027 158 HA ALA 21 HA ALA 21 11.939 4.611 -24.648 159 HB1 ALA 21 HB1 ALA 21 11.838 6.896 -25.631 160 HB2 ALA 21 HB2 ALA 21 10.214 6.233 -25.347 161 HB3 ALA 21 HB3 ALA 21 10.897 7.454 -24.236 162 H ASP 22 H ASP 22 14.121 5.472 -25.061 163 HA ASP 22 HA ASP 22 16.217 6.004 -24.393 164 HB2 ASP 22 HB2 ASP 22 14.594 8.185 -24.304 165 HB3 ASP 22 HB3 ASP 22 15.179 8.239 -22.681 166 H ASN 23 H ASN 23 14.763 4.133 -22.588 167 HA ASN 23 HA ASN 23 14.961 3.023 -20.712 168 HB2 ASN 23 HB2 ASN 23 17.320 2.887 -21.470 169 HB3 ASN 23 HB3 ASN 23 17.709 4.319 -20.524 170 HD21 ASN 23 HD21 ASN 23 16.391 1.004 -20.188 171 HD22 ASN 23 HD22 ASN 23 17.095 0.688 -18.627 172 H ARG 24 H ARG 24 13.959 5.906 -20.627 173 HA ARG 24 HA ARG 24 14.118 6.301 -17.671 174 HB2 ARG 24 HB2 ARG 24 14.431 8.616 -18.001 175 HB3 ARG 24 HB3 ARG 24 15.419 7.901 -19.284 176 HG2 ARG 24 HG2 ARG 24 13.454 8.183 -20.835 177 HG3 ARG 24 HG3 ARG 24 12.676 9.179 -19.606 178 HD2 ARG 24 HD2 ARG 24 15.397 9.685 -20.851 179 HD3 ARG 24 HD3 ARG 24 13.885 10.370 -21.434 180 HE ARG 24 HE ARG 24 14.277 10.882 -18.620 181 HH11 ARG 24 HH11 ARG 24 15.251 11.962 -21.863 182 HH12 ARG 24 HH12 ARG 24 15.729 13.532 -21.363 183 HH21 ARG 24 HH21 ARG 24 14.668 13.035 -17.976 184 HH22 ARG 24 HH22 ARG 24 15.132 14.223 -19.181 185 H LEU 25 H LEU 25 12.270 7.622 -16.834 186 HA LEU 25 HA LEU 25 9.718 6.489 -17.718 187 HB2 LEU 25 HB2 LEU 25 10.364 6.798 -15.330 188 HB3 LEU 25 HB3 LEU 25 10.482 8.522 -15.557 189 HG LEU 25 HG LEU 25 8.491 7.607 -14.323 190 HD11 LEU 25 HD11 LEU 25 8.551 9.921 -15.138 191 HD12 LEU 25 HD12 LEU 25 6.932 9.222 -15.018 192 HD13 LEU 25 HD13 LEU 25 7.688 9.404 -16.604 193 HD21 LEU 25 HD21 LEU 25 7.981 5.726 -15.771 194 HD22 LEU 25 HD22 LEU 25 7.407 6.848 -17.037 195 HD23 LEU 25 HD23 LEU 25 6.582 6.771 -15.478 196 H GLN 26 H GLN 26 8.101 7.672 -18.847 197 HA GLN 26 HA GLN 26 8.360 10.531 -19.371 198 HB2 GLN 26 HB2 GLN 26 8.357 8.350 -21.504 199 HB3 GLN 26 HB3 GLN 26 7.573 9.876 -21.780 200 HG2 GLN 26 HG2 GLN 26 9.427 10.735 -22.488 201 HG3 GLN 26 HG3 GLN 26 10.020 10.757 -20.830 202 HE21 GLN 26 HE21 GLN 26 10.237 7.628 -20.936 203 HE22 GLN 26 HE22 GLN 26 11.749 7.511 -21.801 204 H TYR 27 H TYR 27 6.219 11.126 -20.567 205 HA TYR 27 HA TYR 27 3.940 9.506 -19.750 206 HB2 TYR 27 HB2 TYR 27 2.953 11.867 -18.951 207 HB3 TYR 27 HB3 TYR 27 3.744 10.793 -17.838 208 HD1 TYR 27 HD1 TYR 27 6.108 11.182 -17.128 209 HD2 TYR 27 HD2 TYR 27 3.945 14.040 -19.530 210 HE1 TYR 27 HE1 TYR 27 7.842 12.870 -16.657 211 HE2 TYR 27 HE2 TYR 27 5.681 15.738 -19.085 212 HH TYR 27 HH TYR 27 7.820 16.086 -18.250 213 H GLU 28 H GLU 28 2.019 10.181 -20.863 214 HA GLU 28 HA GLU 28 2.349 12.134 -23.028 215 HB2 GLU 28 HB2 GLU 28 3.161 9.974 -23.945 216 HB3 GLU 28 HB3 GLU 28 1.621 9.223 -23.520 217 HG2 GLU 28 HG2 GLU 28 1.675 9.816 -25.891 218 HG3 GLU 28 HG3 GLU 28 0.438 10.731 -25.037 219 H THR 29 H THR 29 0.623 13.389 -22.839 220 HA THR 29 HA THR 29 -2.047 12.258 -22.278 221 HB THR 29 HB THR 29 -1.053 13.174 -20.205 222 HG1 THR 29 HG1 THR 29 -3.291 13.214 -20.540 223 HG21 THR 29 HG21 THR 29 -1.110 15.875 -21.589 224 HG22 THR 29 HG22 THR 29 0.317 14.999 -20.989 225 HG23 THR 29 HG23 THR 29 -0.888 15.598 -19.850 226 H SER 30 H SER 30 -3.745 14.151 -22.858 227 HA SER 30 HA SER 30 -2.806 15.504 -25.356 228 HB2 SER 30 HB2 SER 30 -5.519 14.237 -24.926 229 HB3 SER 30 HB3 SER 30 -4.830 14.864 -26.426 230 HG SER 30 HG SER 30 -4.707 12.600 -26.306 231 H ARG 31 H ARG 31 -3.590 16.095 -22.314 232 HA ARG 31 HA ARG 31 -5.663 18.089 -22.403 233 HB2 ARG 31 HB2 ARG 31 -3.356 17.620 -20.460 234 HB3 ARG 31 HB3 ARG 31 -4.816 18.539 -20.088 235 HG2 ARG 31 HG2 ARG 31 -6.160 16.530 -20.004 236 HG3 ARG 31 HG3 ARG 31 -4.912 15.571 -20.768 237 HD2 ARG 31 HD2 ARG 31 -4.804 15.039 -18.478 238 HD3 ARG 31 HD3 ARG 31 -3.383 16.003 -18.839 239 HE ARG 31 HE ARG 31 -5.038 17.946 -17.986 240 HH11 ARG 31 HH11 ARG 31 -4.680 14.750 -16.504 241 HH12 ARG 31 HH12 ARG 31 -4.360 15.425 -14.911 242 HH21 ARG 31 HH21 ARG 31 -5.078 18.715 -15.895 243 HH22 ARG 31 HH22 ARG 31 -4.770 17.659 -14.531 244 H ASP 32 H ASP 32 -5.049 20.370 -21.516 245 HA ASP 32 HA ASP 32 -3.329 21.676 -23.394 246 HB2 ASP 32 HB2 ASP 32 -3.663 23.678 -21.917 247 HB3 ASP 32 HB3 ASP 32 -5.162 22.933 -22.468 248 H ASN 33 H ASN 33 -2.800 20.327 -20.104 249 HA ASN 33 HA ASN 33 -0.002 20.375 -20.417 250 HB2 ASN 33 HB2 ASN 33 -0.868 22.864 -19.580 251 HB3 ASN 33 HB3 ASN 33 -0.732 22.055 -18.032 252 HD21 ASN 33 HD21 ASN 33 1.079 22.300 -21.167 253 HD22 ASN 33 HD22 ASN 33 2.637 22.600 -20.426 254 H ILE 34 H ILE 34 0.810 20.006 -17.777 255 HA ILE 34 HA ILE 34 -1.049 18.085 -16.586 256 HB ILE 34 HB ILE 34 0.605 16.868 -17.988 257 HG12 ILE 34 HG12 ILE 34 1.672 15.460 -16.080 258 HG13 ILE 34 HG13 ILE 34 0.833 16.531 -14.955 259 HG21 ILE 34 HG21 ILE 34 2.956 16.872 -17.561 260 HG22 ILE 34 HG22 ILE 34 2.465 18.536 -17.854 261 HG23 ILE 34 HG23 ILE 34 2.766 17.989 -16.186 262 HD11 ILE 34 HD11 ILE 34 -0.498 14.509 -15.450 263 HD12 ILE 34 HD12 ILE 34 -1.341 15.927 -16.130 264 HD13 ILE 34 HD13 ILE 34 -0.432 14.871 -17.195 265 HA PRO 35 HA PRO 35 0.192 20.724 -13.190 266 HB2 PRO 35 HB2 PRO 35 -0.687 19.127 -11.082 267 HB3 PRO 35 HB3 PRO 35 -1.775 20.184 -12.068 268 HG2 PRO 35 HG2 PRO 35 -1.126 17.283 -12.163 269 HG3 PRO 35 HG3 PRO 35 -2.746 18.016 -12.350 270 HD2 PRO 35 HD2 PRO 35 -1.198 17.097 -14.400 271 HD3 PRO 35 HD3 PRO 35 -2.272 18.503 -14.633 272 H GLU 36 H GLU 36 1.841 20.773 -11.533 273 HA GLU 36 HA GLU 36 4.022 18.972 -12.000 274 HB2 GLU 36 HB2 GLU 36 5.121 20.014 -10.080 275 HB3 GLU 36 HB3 GLU 36 4.443 21.216 -11.209 276 HG2 GLU 36 HG2 GLU 36 2.431 21.361 -9.607 277 HG3 GLU 36 HG3 GLU 36 3.366 20.401 -8.471 278 H GLU 37 H GLU 37 1.478 19.018 -9.528 279 HA GLU 37 HA GLU 37 2.663 17.270 -7.679 280 HB2 GLU 37 HB2 GLU 37 0.460 16.906 -6.807 281 HB3 GLU 37 HB3 GLU 37 0.634 18.612 -7.263 282 HG2 GLU 37 HG2 GLU 37 -0.475 17.716 -9.528 283 HG3 GLU 37 HG3 GLU 37 -0.998 16.403 -8.484 284 H LEU 38 H LEU 38 0.841 16.603 -10.672 285 HA LEU 38 HA LEU 38 0.669 13.794 -10.367 286 HB2 LEU 38 HB2 LEU 38 0.457 15.798 -12.631 287 HB3 LEU 38 HB3 LEU 38 0.656 14.142 -13.078 288 HG LEU 38 HG LEU 38 -1.695 15.167 -12.913 289 HD11 LEU 38 HD11 LEU 38 -2.626 12.979 -12.516 290 HD12 LEU 38 HD12 LEU 38 -1.159 12.510 -11.629 291 HD13 LEU 38 HD13 LEU 38 -1.117 12.805 -13.393 292 HD21 LEU 38 HD21 LEU 38 -2.901 14.835 -10.788 293 HD22 LEU 38 HD22 LEU 38 -1.591 15.989 -10.563 294 HD23 LEU 38 HD23 LEU 38 -1.409 14.333 -9.979 295 H LEU 39 H LEU 39 2.921 15.949 -12.121 296 HA LEU 39 HA LEU 39 4.543 13.858 -13.179 297 HB2 LEU 39 HB2 LEU 39 5.323 16.715 -12.412 298 HB3 LEU 39 HB3 LEU 39 6.364 15.599 -13.290 299 HG LEU 39 HG LEU 39 3.725 16.756 -14.267 300 HD11 LEU 39 HD11 LEU 39 5.675 18.269 -14.373 301 HD12 LEU 39 HD12 LEU 39 5.171 17.778 -15.993 302 HD13 LEU 39 HD13 LEU 39 6.602 17.028 -15.259 303 HD21 LEU 39 HD21 LEU 39 3.774 14.506 -15.123 304 HD22 LEU 39 HD22 LEU 39 5.520 14.619 -15.471 305 HD23 LEU 39 HD23 LEU 39 4.344 15.541 -16.421 306 H ASN 40 H ASN 40 4.957 15.778 -10.184 307 HA ASN 40 HA ASN 40 7.172 14.335 -9.247 308 HB2 ASN 40 HB2 ASN 40 4.997 15.996 -7.966 309 HB3 ASN 40 HB3 ASN 40 6.327 15.290 -7.006 310 HD21 ASN 40 HD21 ASN 40 5.838 17.976 -7.114 311 HD22 ASN 40 HD22 ASN 40 7.177 18.777 -7.951 312 H GLU 41 H GLU 41 3.697 13.633 -8.822 313 HA GLU 41 HA GLU 41 3.980 11.580 -6.888 314 HB2 GLU 41 HB2 GLU 41 1.930 12.503 -8.822 315 HB3 GLU 41 HB3 GLU 41 1.777 10.807 -8.352 316 HG2 GLU 41 HG2 GLU 41 1.604 11.308 -6.035 317 HG3 GLU 41 HG3 GLU 41 2.113 12.979 -6.281 318 H TRP 42 H TRP 42 3.843 11.380 -10.486 319 HA TRP 42 HA TRP 42 4.314 8.498 -10.446 320 HB2 TRP 42 HB2 TRP 42 4.709 10.429 -12.735 321 HB3 TRP 42 HB3 TRP 42 4.372 8.701 -12.818 322 HD1 TRP 42 HD1 TRP 42 2.662 11.119 -14.187 323 HE1 TRP 42 HE1 TRP 42 0.142 11.225 -13.814 324 HE3 TRP 42 HE3 TRP 42 2.292 8.481 -9.781 325 HZ2 TRP 42 HZ2 TRP 42 -1.769 10.409 -11.870 326 HZ3 TRP 42 HZ3 TRP 42 0.098 8.277 -8.647 327 HH2 TRP 42 HH2 TRP 42 -1.928 9.257 -9.672 328 H LYS 43 H LYS 43 6.438 11.352 -10.931 329 HA LYS 43 HA LYS 43 8.787 9.917 -11.524 330 HB2 LYS 43 HB2 LYS 43 8.298 12.588 -10.187 331 HB3 LYS 43 HB3 LYS 43 9.929 11.979 -10.503 332 HG2 LYS 43 HG2 LYS 43 9.632 11.990 -12.854 333 HG3 LYS 43 HG3 LYS 43 7.891 12.128 -12.747 334 HD2 LYS 43 HD2 LYS 43 8.852 14.261 -13.431 335 HD3 LYS 43 HD3 LYS 43 8.069 14.404 -11.843 336 HE2 LYS 43 HE2 LYS 43 10.216 14.231 -10.702 337 HE3 LYS 43 HE3 LYS 43 11.057 14.015 -12.246 338 HZ1 LYS 43 HZ1 LYS 43 11.159 16.252 -11.352 339 HZ2 LYS 43 HZ2 LYS 43 9.524 16.455 -11.551 340 HZ3 LYS 43 HZ3 LYS 43 10.506 16.228 -12.846 341 H TYR 44 H TYR 44 7.227 10.547 -8.423 342 HA TYR 44 HA TYR 44 9.246 9.931 -6.608 343 HB2 TYR 44 HB2 TYR 44 6.795 10.699 -6.240 344 HB3 TYR 44 HB3 TYR 44 6.369 9.006 -6.293 345 HD1 TYR 44 HD1 TYR 44 7.373 11.733 -4.242 346 HD2 TYR 44 HD2 TYR 44 7.520 7.425 -4.534 347 HE1 TYR 44 HE1 TYR 44 7.634 11.587 -1.802 348 HE2 TYR 44 HE2 TYR 44 7.823 7.286 -2.076 349 HH TYR 44 HH TYR 44 7.755 10.118 0.068 350 H TYR 45 H TYR 45 7.300 7.682 -8.617 351 HA TYR 45 HA TYR 45 8.837 5.365 -7.584 352 HB2 TYR 45 HB2 TYR 45 6.022 5.503 -8.688 353 HB3 TYR 45 HB3 TYR 45 6.790 4.062 -8.180 354 HD1 TYR 45 HD1 TYR 45 7.296 3.583 -5.779 355 HD2 TYR 45 HD2 TYR 45 4.947 6.977 -7.050 356 HE1 TYR 45 HE1 TYR 45 6.300 3.734 -3.520 357 HE2 TYR 45 HE2 TYR 45 3.965 7.145 -4.784 358 HH TYR 45 HH TYR 45 3.521 5.469 -2.896 359 H ARG 46 H ARG 46 9.486 7.355 -9.928 360 HA ARG 46 HA ARG 46 8.804 6.296 -12.354 361 HB2 ARG 46 HB2 ARG 46 10.427 7.508 -13.333 362 HB3 ARG 46 HB3 ARG 46 10.196 8.406 -11.873 363 HG2 ARG 46 HG2 ARG 46 12.448 6.407 -12.379 364 HG3 ARG 46 HG3 ARG 46 12.554 8.132 -12.722 365 HD2 ARG 46 HD2 ARG 46 12.222 8.766 -10.469 366 HD3 ARG 46 HD3 ARG 46 11.789 7.121 -9.973 367 HE ARG 46 HE ARG 46 14.402 7.025 -11.059 368 HH11 ARG 46 HH11 ARG 46 12.685 8.319 -8.166 369 HH12 ARG 46 HH12 ARG 46 14.091 8.309 -7.199 370 HH21 ARG 46 HH21 ARG 46 16.255 6.949 -9.673 371 HH22 ARG 46 HH22 ARG 46 15.989 7.199 -7.973 372 H GLN 47 H GLN 47 11.414 5.105 -10.250 373 HA GLN 47 HA GLN 47 12.510 3.234 -12.050 374 HB2 GLN 47 HB2 GLN 47 13.165 4.204 -9.577 375 HB3 GLN 47 HB3 GLN 47 12.520 2.637 -9.098 376 HG2 GLN 47 HG2 GLN 47 14.756 3.155 -11.110 377 HG3 GLN 47 HG3 GLN 47 14.967 2.630 -9.446 378 HE21 GLN 47 HE21 GLN 47 14.294 1.557 -12.701 379 HE22 GLN 47 HE22 GLN 47 13.980 -0.124 -12.305 380 H ASP 48 H ASP 48 9.918 2.861 -9.547 381 HA ASP 48 HA ASP 48 9.496 0.074 -9.982 382 HB2 ASP 48 HB2 ASP 48 8.692 1.617 -8.011 383 HB3 ASP 48 HB3 ASP 48 7.474 2.143 -9.106 384 H LEU 49 H LEU 49 8.056 3.002 -11.307 385 HA LEU 49 HA LEU 49 6.034 1.843 -12.928 386 HB2 LEU 49 HB2 LEU 49 7.527 4.487 -13.041 387 HB3 LEU 49 HB3 LEU 49 6.594 3.991 -14.409 388 HG LEU 49 HG LEU 49 5.138 3.794 -11.822 389 HD11 LEU 49 HD11 LEU 49 4.674 6.204 -11.742 390 HD12 LEU 49 HD12 LEU 49 5.878 6.486 -13.029 391 HD13 LEU 49 HD13 LEU 49 6.372 5.846 -11.439 392 HD21 LEU 49 HD21 LEU 49 3.329 4.698 -13.159 393 HD22 LEU 49 HD22 LEU 49 4.073 3.272 -13.896 394 HD23 LEU 49 HD23 LEU 49 4.436 4.891 -14.541 395 H ILE 50 H ILE 50 9.240 3.055 -13.986 396 HA ILE 50 HA ILE 50 9.260 2.180 -16.570 397 HB ILE 50 HB ILE 50 11.512 2.235 -14.520 398 HG12 ILE 50 HG12 ILE 50 11.312 4.129 -16.868 399 HG13 ILE 50 HG13 ILE 50 10.234 4.387 -15.516 400 HG21 ILE 50 HG21 ILE 50 11.669 1.638 -17.491 401 HG22 ILE 50 HG22 ILE 50 13.081 2.232 -16.562 402 HG23 ILE 50 HG23 ILE 50 12.305 0.706 -16.143 403 HD11 ILE 50 HD11 ILE 50 13.296 4.268 -15.431 404 HD12 ILE 50 HD12 ILE 50 12.280 5.701 -15.161 405 HD13 ILE 50 HD13 ILE 50 12.294 4.394 -13.983 406 H ASP 51 H ASP 51 10.195 0.114 -13.782 407 HA ASP 51 HA ASP 51 11.048 -2.114 -15.090 408 HB2 ASP 51 HB2 ASP 51 10.761 -1.580 -12.586 409 HB3 ASP 51 HB3 ASP 51 9.114 -2.158 -12.738 410 H PHE 52 H PHE 52 7.647 -1.310 -14.430 411 HA PHE 52 HA PHE 52 6.594 -3.539 -16.020 412 HB2 PHE 52 HB2 PHE 52 5.362 -1.187 -14.516 413 HB3 PHE 52 HB3 PHE 52 4.408 -2.243 -15.530 414 HD1 PHE 52 HD1 PHE 52 6.736 -2.377 -12.571 415 HD2 PHE 52 HD2 PHE 52 3.445 -4.203 -14.671 416 HE1 PHE 52 HE1 PHE 52 6.356 -3.907 -10.655 417 HE2 PHE 52 HE2 PHE 52 3.052 -5.707 -12.748 418 HZ PHE 52 HZ PHE 52 4.488 -5.554 -10.731 419 H LEU 53 H LEU 53 7.068 -0.029 -16.443 420 HA LEU 53 HA LEU 53 5.364 0.328 -18.723 421 HB2 LEU 53 HB2 LEU 53 7.949 1.780 -18.170 422 HB3 LEU 53 HB3 LEU 53 6.717 2.306 -19.292 423 HG LEU 53 HG LEU 53 6.804 2.474 -16.342 424 HD11 LEU 53 HD11 LEU 53 5.909 4.634 -16.650 425 HD12 LEU 53 HD12 LEU 53 5.773 4.327 -18.391 426 HD13 LEU 53 HD13 LEU 53 7.363 4.400 -17.616 427 HD21 LEU 53 HD21 LEU 53 4.762 1.247 -16.511 428 HD22 LEU 53 HD22 LEU 53 4.187 2.302 -17.837 429 HD23 LEU 53 HD23 LEU 53 4.392 2.933 -16.184 430 H GLN 54 H GLN 54 8.679 -0.792 -18.441 431 HA GLN 54 HA GLN 54 9.528 -0.699 -21.119 432 HB2 GLN 54 HB2 GLN 54 9.966 -2.720 -18.866 433 HB3 GLN 54 HB3 GLN 54 10.880 -2.764 -20.355 434 HG2 GLN 54 HG2 GLN 54 10.849 -0.113 -18.974 435 HG3 GLN 54 HG3 GLN 54 11.471 -1.420 -18.002 436 HE21 GLN 54 HE21 GLN 54 13.080 0.853 -18.899 437 HE22 GLN 54 HE22 GLN 54 14.232 0.223 -20.075 438 H GLN 55 H GLN 55 7.961 -3.265 -19.310 439 HA GLN 55 HA GLN 55 7.637 -5.180 -21.376 440 HB2 GLN 55 HB2 GLN 55 5.806 -5.026 -18.974 441 HB3 GLN 55 HB3 GLN 55 6.431 -6.448 -19.802 442 HG2 GLN 55 HG2 GLN 55 7.947 -4.529 -18.003 443 HG3 GLN 55 HG3 GLN 55 7.467 -6.181 -17.603 444 HE21 GLN 55 HE21 GLN 55 10.110 -4.754 -17.753 445 HE22 GLN 55 HE22 GLN 55 11.122 -5.773 -18.778 446 H LEU 56 H LEU 56 5.614 -2.511 -20.285 447 HA LEU 56 HA LEU 56 3.173 -3.289 -21.491 448 HB2 LEU 56 HB2 LEU 56 4.347 -0.916 -20.245 449 HB3 LEU 56 HB3 LEU 56 3.343 -0.467 -21.622 450 HG LEU 56 HG LEU 56 1.520 -2.008 -20.602 451 HD11 LEU 56 HD11 LEU 56 2.962 -3.156 -18.927 452 HD12 LEU 56 HD12 LEU 56 1.657 -2.254 -18.125 453 HD13 LEU 56 HD13 LEU 56 3.291 -1.597 -18.143 454 HD21 LEU 56 HD21 LEU 56 2.344 0.555 -19.173 455 HD22 LEU 56 HD22 LEU 56 0.733 -0.201 -19.125 456 HD23 LEU 56 HD23 LEU 56 1.364 0.425 -20.652 457 H ASP 57 H ASP 57 6.037 -1.776 -22.863 458 HA ASP 57 HA ASP 57 4.675 -1.524 -25.525 459 HB2 ASP 57 HB2 ASP 57 6.048 0.353 -24.354 460 HB3 ASP 57 HB3 ASP 57 7.459 -0.589 -24.807 461 H ALA 58 H ALA 58 7.241 -3.200 -23.731 462 HA ALA 58 HA ALA 58 8.669 -4.846 -24.208 463 HB1 ALA 58 HB1 ALA 58 7.849 -6.721 -25.491 464 HB2 ALA 58 HB2 ALA 58 6.508 -6.030 -24.543 465 HB3 ALA 58 HB3 ALA 58 6.630 -5.705 -26.293 466 H LYS 59 H LYS 59 9.169 -2.313 -25.497 467 HA LYS 59 HA LYS 59 10.771 -3.226 -27.809 468 HB2 LYS 59 HB2 LYS 59 8.725 -2.106 -28.687 469 HB3 LYS 59 HB3 LYS 59 9.100 -0.695 -27.710 470 HG2 LYS 59 HG2 LYS 59 9.866 -0.045 -29.761 471 HG3 LYS 59 HG3 LYS 59 11.359 -0.593 -29.023 472 HD2 LYS 59 HD2 LYS 59 9.667 -2.340 -30.863 473 HD3 LYS 59 HD3 LYS 59 10.945 -1.249 -31.435 474 HE2 LYS 59 HE2 LYS 59 12.532 -2.451 -29.812 475 HE3 LYS 59 HE3 LYS 59 11.255 -3.673 -29.635 476 HZ1 LYS 59 HZ1 LYS 59 12.826 -4.314 -31.273 477 HZ2 LYS 59 HZ2 LYS 59 12.636 -2.944 -32.134 478 HZ3 LYS 59 HZ3 LYS 59 11.378 -4.023 -32.027 479 H GLU 60 H GLU 60 12.737 -3.134 -26.827 480 HA GLU 60 HA GLU 60 13.482 -0.665 -25.373 481 HB2 GLU 60 HB2 GLU 60 13.869 -2.879 -24.376 482 HB3 GLU 60 HB3 GLU 60 14.852 -3.354 -25.764 483 HG2 GLU 60 HG2 GLU 60 16.568 -1.763 -25.180 484 HG3 GLU 60 HG3 GLU 60 15.504 -0.905 -24.066 485 H GLU 61 H GLU 61 15.105 0.697 -26.165 486 HA GLU 61 HA GLU 61 16.399 0.090 -28.731 487 HB2 GLU 61 HB2 GLU 61 14.954 2.690 -28.198 488 HB3 GLU 61 HB3 GLU 61 15.774 2.200 -29.675 489 HG2 GLU 61 HG2 GLU 61 13.980 0.543 -30.124 490 HG3 GLU 61 HG3 GLU 61 13.149 1.050 -28.645 491 H THR 62 H THR 62 17.878 2.210 -29.199 492 HA THR 62 HA THR 62 18.934 3.412 -26.772 493 HB THR 62 HB THR 62 20.124 1.251 -27.023 494 HG1 THR 62 HG1 THR 62 22.267 2.268 -27.091 495 HG21 THR 62 HG21 THR 62 20.065 1.076 -29.477 496 HG22 THR 62 HG22 THR 62 21.692 0.878 -28.842 497 HG23 THR 62 HG23 THR 62 21.205 2.416 -29.604 498 H GLN 63 H GLN 63 21.013 4.768 -27.768 499 HA GLN 63 HA GLN 63 19.715 6.793 -29.337 500 HB2 GLN 63 HB2 GLN 63 21.801 8.052 -29.116 501 HB3 GLN 63 HB3 GLN 63 21.170 7.467 -27.591 502 HG2 GLN 63 HG2 GLN 63 23.390 7.100 -27.272 503 HG3 GLN 63 HG3 GLN 63 22.899 5.519 -27.818 504 HE21 GLN 63 HE21 GLN 63 23.885 8.641 -29.529 505 HE22 GLN 63 HE22 GLN 63 25.178 7.828 -30.404 Start of MODEL 6 1 H1 MET 1 H MET 1 2.819 -0.655 0.057 2 HA MET 1 HA MET 1 3.904 -0.646 -2.219 3 HB2 MET 1 HB2 MET 1 2.470 -3.107 -1.187 4 HB3 MET 1 HB3 MET 1 3.587 -3.156 -2.557 5 HG2 MET 1 HG2 MET 1 5.421 -2.384 -1.215 6 HG3 MET 1 HG3 MET 1 4.368 -2.059 0.165 7 HE1 MET 1 HE1 MET 1 7.154 -3.876 0.006 8 HE2 MET 1 HE2 MET 1 6.343 -3.426 1.526 9 HE3 MET 1 HE3 MET 1 6.721 -5.132 1.184 10 H LYS 2 H LYS 2 2.650 0.854 -3.613 11 HA LYS 2 HA LYS 2 0.338 -0.339 -5.005 12 HB2 LYS 2 HB2 LYS 2 0.193 1.986 -4.060 13 HB3 LYS 2 HB3 LYS 2 1.444 2.471 -5.208 14 HG2 LYS 2 HG2 LYS 2 -0.010 1.696 -7.071 15 HG3 LYS 2 HG3 LYS 2 -1.297 1.337 -5.904 16 HD2 LYS 2 HD2 LYS 2 -1.097 3.838 -5.223 17 HD3 LYS 2 HD3 LYS 2 -0.046 4.023 -6.620 18 HE2 LYS 2 HE2 LYS 2 -2.028 4.655 -7.555 19 HE3 LYS 2 HE3 LYS 2 -2.021 2.928 -7.949 20 HZ1 LYS 2 HZ1 LYS 2 -3.420 4.097 -5.611 21 HZ2 LYS 2 HZ2 LYS 2 -3.575 2.544 -6.192 22 HZ3 LYS 2 HZ3 LYS 2 -4.169 3.788 -7.013 23 H ASN 3 H ASN 3 1.090 -1.712 -6.532 24 HA ASN 3 HA ASN 3 3.629 -1.462 -7.845 25 HB2 ASN 3 HB2 ASN 3 1.500 -2.859 -9.420 26 HB3 ASN 3 HB3 ASN 3 3.140 -3.364 -9.053 27 HD21 ASN 3 HD21 ASN 3 0.101 -4.348 -8.663 28 HD22 ASN 3 HD22 ASN 3 0.028 -4.922 -7.035 29 H ALA 4 H ALA 4 4.039 -1.011 -10.109 30 HA ALA 4 HA ALA 4 3.395 1.415 -11.104 31 HB1 ALA 4 HB1 ALA 4 4.144 -1.100 -12.574 32 HB2 ALA 4 HB2 ALA 4 4.279 0.537 -13.219 33 HB3 ALA 4 HB3 ALA 4 5.256 0.062 -11.799 34 H ALA 5 H ALA 5 1.782 -1.589 -11.955 35 HA ALA 5 HA ALA 5 0.092 -0.626 -13.879 36 HB1 ALA 5 HB1 ALA 5 -1.378 -2.563 -13.326 37 HB2 ALA 5 HB2 ALA 5 0.340 -3.025 -13.297 38 HB3 ALA 5 HB3 ALA 5 -0.539 -2.742 -11.774 39 H GLN 6 H GLN 6 -0.499 -0.599 -10.364 40 HA GLN 6 HA GLN 6 -3.164 0.512 -10.502 41 HB2 GLN 6 HB2 GLN 6 -1.054 0.344 -8.341 42 HB3 GLN 6 HB3 GLN 6 -2.638 1.055 -8.063 43 HG2 GLN 6 HG2 GLN 6 -3.730 -1.068 -8.455 44 HG3 GLN 6 HG3 GLN 6 -2.197 -1.828 -8.879 45 HE21 GLN 6 HE21 GLN 6 -0.557 -1.936 -7.225 46 HE22 GLN 6 HE22 GLN 6 -1.033 -2.039 -5.522 47 H ILE 7 H ILE 7 0.144 1.901 -10.372 48 HA ILE 7 HA ILE 7 -0.744 4.579 -9.813 49 HB ILE 7 HB ILE 7 1.876 3.912 -11.196 50 HG12 ILE 7 HG12 ILE 7 1.040 3.234 -8.405 51 HG13 ILE 7 HG13 ILE 7 2.137 2.412 -9.503 52 HG21 ILE 7 HG21 ILE 7 2.611 5.966 -10.089 53 HG22 ILE 7 HG22 ILE 7 1.120 6.290 -10.957 54 HG23 ILE 7 HG23 ILE 7 1.079 6.075 -9.195 55 HD11 ILE 7 HD11 ILE 7 3.394 3.265 -7.640 56 HD12 ILE 7 HD12 ILE 7 3.791 4.274 -9.051 57 HD13 ILE 7 HD13 ILE 7 2.666 4.869 -7.802 58 H VAL 8 H VAL 8 0.229 2.857 -12.847 59 HA VAL 8 HA VAL 8 -0.269 5.118 -14.512 60 HB VAL 8 HB VAL 8 -0.436 2.199 -15.342 61 HG11 VAL 8 HG11 VAL 8 0.082 3.040 -17.608 62 HG12 VAL 8 HG12 VAL 8 -1.453 3.672 -17.011 63 HG13 VAL 8 HG13 VAL 8 -0.015 4.713 -17.003 64 HG21 VAL 8 HG21 VAL 8 1.900 4.081 -15.171 65 HG22 VAL 8 HG22 VAL 8 1.734 2.466 -14.475 66 HG23 VAL 8 HG23 VAL 8 1.909 2.630 -16.211 67 H ASP 9 H ASP 9 -2.464 2.575 -13.369 68 HA ASP 9 HA ASP 9 -4.744 3.323 -14.883 69 HB2 ASP 9 HB2 ASP 9 -4.236 1.887 -12.299 70 HB3 ASP 9 HB3 ASP 9 -5.831 2.557 -12.491 71 H GLU 10 H GLU 10 -3.555 4.620 -11.790 72 HA GLU 10 HA GLU 10 -5.722 6.437 -11.313 73 HB2 GLU 10 HB2 GLU 10 -2.851 6.233 -10.360 74 HB3 GLU 10 HB3 GLU 10 -3.763 7.681 -10.026 75 HG2 GLU 10 HG2 GLU 10 -4.562 4.867 -9.207 76 HG3 GLU 10 HG3 GLU 10 -3.799 6.063 -8.158 77 H ALA 11 H ALA 11 -2.593 6.790 -13.065 78 HA ALA 11 HA ALA 11 -2.994 9.604 -13.574 79 HB1 ALA 11 HB1 ALA 11 -0.788 8.277 -13.570 80 HB2 ALA 11 HB2 ALA 11 -1.247 7.705 -15.186 81 HB3 ALA 11 HB3 ALA 11 -0.986 9.431 -14.891 82 H LEU 12 H LEU 12 -3.560 6.631 -15.428 83 HA LEU 12 HA LEU 12 -4.292 7.613 -17.908 84 HB2 LEU 12 HB2 LEU 12 -3.927 5.256 -17.503 85 HB3 LEU 12 HB3 LEU 12 -5.247 5.198 -16.323 86 HG LEU 12 HG LEU 12 -6.858 5.760 -18.079 87 HD11 LEU 12 HD11 LEU 12 -4.438 5.406 -19.938 88 HD12 LEU 12 HD12 LEU 12 -5.393 6.883 -19.745 89 HD13 LEU 12 HD13 LEU 12 -6.109 5.467 -20.505 90 HD21 LEU 12 HD21 LEU 12 -5.223 3.291 -18.822 91 HD22 LEU 12 HD22 LEU 12 -6.954 3.550 -19.078 92 HD23 LEU 12 HD23 LEU 12 -6.350 3.379 -17.433 93 H ASN 13 H ASN 13 -6.255 7.178 -15.039 94 HA ASN 13 HA ASN 13 -8.824 7.828 -15.870 95 HB2 ASN 13 HB2 ASN 13 -7.780 7.049 -13.605 96 HB3 ASN 13 HB3 ASN 13 -7.562 8.762 -13.257 97 HD21 ASN 13 HD21 ASN 13 -9.184 6.699 -11.944 98 HD22 ASN 13 HD22 ASN 13 -10.793 7.420 -11.849 99 H GLN 14 H GLN 14 -6.052 9.992 -15.184 100 HA GLN 14 HA GLN 14 -7.699 12.426 -15.405 101 HB2 GLN 14 HB2 GLN 14 -4.712 12.304 -15.079 102 HB3 GLN 14 HB3 GLN 14 -5.868 13.565 -14.619 103 HG2 GLN 14 HG2 GLN 14 -6.700 11.626 -12.967 104 HG3 GLN 14 HG3 GLN 14 -5.074 10.992 -13.298 105 HE21 GLN 14 HE21 GLN 14 -4.597 11.239 -10.985 106 HE22 GLN 14 HE22 GLN 14 -4.140 12.826 -10.433 107 H GLY 15 H GLY 15 -6.660 10.345 -17.647 108 HA2 GLY 15 HA2 GLY 15 -6.452 10.572 -19.914 109 HA3 GLY 15 HA3 GLY 15 -6.456 12.331 -19.744 110 H ILE 16 H ILE 16 -4.032 10.395 -17.863 111 HA ILE 16 HA ILE 16 -1.984 11.104 -19.861 112 HB ILE 16 HB ILE 16 -1.778 12.841 -18.292 113 HG12 ILE 16 HG12 ILE 16 0.256 11.452 -18.959 114 HG13 ILE 16 HG13 ILE 16 0.400 12.758 -17.825 115 HG21 ILE 16 HG21 ILE 16 -1.546 12.654 -15.899 116 HG22 ILE 16 HG22 ILE 16 -3.149 12.218 -16.498 117 HG23 ILE 16 HG23 ILE 16 -2.027 10.946 -16.006 118 HD11 ILE 16 HD11 ILE 16 0.378 11.160 -15.949 119 HD12 ILE 16 HD12 ILE 16 0.338 9.832 -17.132 120 HD13 ILE 16 HD13 ILE 16 1.711 10.951 -17.079 121 H THR 17 H THR 17 -0.739 9.434 -20.373 122 HA THR 17 HA THR 17 -0.811 7.026 -18.572 123 HB THR 17 HB THR 17 -0.281 7.185 -21.582 124 HG1 THR 17 HG1 THR 17 -2.412 7.740 -21.209 125 HG21 THR 17 HG21 THR 17 -0.816 4.726 -21.469 126 HG22 THR 17 HG22 THR 17 -0.824 4.838 -19.700 127 HG23 THR 17 HG23 THR 17 0.669 5.162 -20.628 128 H LEU 18 H LEU 18 1.194 5.774 -18.516 129 HA LEU 18 HA LEU 18 3.585 7.540 -18.581 130 HB2 LEU 18 HB2 LEU 18 2.935 5.205 -16.661 131 HB3 LEU 18 HB3 LEU 18 4.455 6.077 -16.813 132 HG LEU 18 HG LEU 18 3.401 6.907 -14.926 133 HD11 LEU 18 HD11 LEU 18 3.296 9.264 -15.323 134 HD12 LEU 18 HD12 LEU 18 2.850 9.018 -17.012 135 HD13 LEU 18 HD13 LEU 18 4.500 8.601 -16.448 136 HD21 LEU 18 HD21 LEU 18 0.926 7.745 -16.418 137 HD22 LEU 18 HD22 LEU 18 1.274 7.810 -14.678 138 HD23 LEU 18 HD23 LEU 18 1.087 6.253 -15.496 139 H PHE 19 H PHE 19 5.155 6.867 -19.906 140 HA PHE 19 HA PHE 19 5.196 4.045 -20.834 141 HB2 PHE 19 HB2 PHE 19 5.369 6.518 -22.593 142 HB3 PHE 19 HB3 PHE 19 5.619 4.862 -23.124 143 HD1 PHE 19 HD1 PHE 19 3.495 7.273 -23.792 144 HD2 PHE 19 HD2 PHE 19 3.363 3.353 -21.991 145 HE1 PHE 19 HE1 PHE 19 1.152 6.984 -24.554 146 HE2 PHE 19 HE2 PHE 19 1.045 3.077 -22.759 147 HZ PHE 19 HZ PHE 19 -0.091 4.911 -24.027 148 H VAL 20 H VAL 20 7.328 3.610 -22.032 149 HA VAL 20 HA VAL 20 9.583 5.167 -20.846 150 HB VAL 20 HB VAL 20 9.050 2.217 -20.802 151 HG11 VAL 20 HG11 VAL 20 10.994 2.193 -22.339 152 HG12 VAL 20 HG12 VAL 20 11.887 3.285 -21.251 153 HG13 VAL 20 HG13 VAL 20 11.454 1.637 -20.736 154 HG21 VAL 20 HG21 VAL 20 9.188 3.822 -18.829 155 HG22 VAL 20 HG22 VAL 20 10.164 2.345 -18.745 156 HG23 VAL 20 HG23 VAL 20 10.931 3.895 -19.125 157 H ALA 21 H ALA 21 11.142 5.784 -22.115 158 HA ALA 21 HA ALA 21 11.725 4.911 -24.812 159 HB1 ALA 21 HB1 ALA 21 10.746 7.742 -24.218 160 HB2 ALA 21 HB2 ALA 21 11.534 7.188 -25.701 161 HB3 ALA 21 HB3 ALA 21 9.928 6.567 -25.275 162 H ASP 22 H ASP 22 13.917 5.559 -25.204 163 HA ASP 22 HA ASP 22 16.038 5.927 -24.576 164 HB2 ASP 22 HB2 ASP 22 14.718 8.210 -24.449 165 HB3 ASP 22 HB3 ASP 22 15.118 8.146 -22.765 166 H ASN 23 H ASN 23 14.450 4.110 -22.840 167 HA ASN 23 HA ASN 23 14.608 2.897 -20.963 168 HB2 ASN 23 HB2 ASN 23 16.977 2.840 -21.795 169 HB3 ASN 23 HB3 ASN 23 17.378 4.149 -20.686 170 HD21 ASN 23 HD21 ASN 23 16.032 0.895 -20.761 171 HD22 ASN 23 HD22 ASN 23 16.728 0.338 -19.237 172 H ARG 24 H ARG 24 13.934 5.988 -20.818 173 HA ARG 24 HA ARG 24 14.028 6.251 -17.853 174 HB2 ARG 24 HB2 ARG 24 14.486 8.534 -18.095 175 HB3 ARG 24 HB3 ARG 24 15.397 7.809 -19.429 176 HG2 ARG 24 HG2 ARG 24 13.462 8.274 -20.915 177 HG3 ARG 24 HG3 ARG 24 12.736 9.256 -19.649 178 HD2 ARG 24 HD2 ARG 24 15.470 9.686 -20.874 179 HD3 ARG 24 HD3 ARG 24 14.000 10.396 -21.500 180 HE ARG 24 HE ARG 24 14.233 10.976 -18.717 181 HH11 ARG 24 HH11 ARG 24 15.177 11.978 -22.008 182 HH12 ARG 24 HH12 ARG 24 15.335 13.646 -21.634 183 HH21 ARG 24 HH21 ARG 24 14.623 13.201 -18.163 184 HH22 ARG 24 HH22 ARG 24 14.953 14.376 -19.431 185 H LEU 25 H LEU 25 12.271 7.754 -16.991 186 HA LEU 25 HA LEU 25 9.686 6.653 -17.767 187 HB2 LEU 25 HB2 LEU 25 10.444 7.107 -15.363 188 HB3 LEU 25 HB3 LEU 25 10.342 8.815 -15.702 189 HG LEU 25 HG LEU 25 8.455 7.634 -14.422 190 HD11 LEU 25 HD11 LEU 25 6.748 9.067 -15.114 191 HD12 LEU 25 HD12 LEU 25 7.489 9.337 -16.705 192 HD13 LEU 25 HD13 LEU 25 8.283 9.937 -15.225 193 HD21 LEU 25 HD21 LEU 25 6.656 6.605 -15.566 194 HD22 LEU 25 HD22 LEU 25 8.143 5.716 -15.920 195 HD23 LEU 25 HD23 LEU 25 7.436 6.809 -17.139 196 H GLN 26 H GLN 26 8.134 7.631 -19.053 197 HA GLN 26 HA GLN 26 8.217 10.507 -19.653 198 HB2 GLN 26 HB2 GLN 26 8.417 8.210 -21.618 199 HB3 GLN 26 HB3 GLN 26 7.329 9.526 -21.985 200 HG2 GLN 26 HG2 GLN 26 9.069 10.598 -22.866 201 HG3 GLN 26 HG3 GLN 26 9.459 11.008 -21.204 202 HE21 GLN 26 HE21 GLN 26 10.257 7.774 -21.307 203 HE22 GLN 26 HE22 GLN 26 11.902 8.116 -21.748 204 H TYR 27 H TYR 27 6.079 11.068 -20.724 205 HA TYR 27 HA TYR 27 3.837 9.425 -19.813 206 HB2 TYR 27 HB2 TYR 27 2.811 11.733 -19.006 207 HB3 TYR 27 HB3 TYR 27 3.731 10.745 -17.904 208 HD1 TYR 27 HD1 TYR 27 6.200 11.280 -17.519 209 HD2 TYR 27 HD2 TYR 27 3.530 13.979 -19.588 210 HE1 TYR 27 HE1 TYR 27 7.924 13.033 -17.444 211 HE2 TYR 27 HE2 TYR 27 5.205 15.781 -19.387 212 HH TYR 27 HH TYR 27 8.512 15.182 -18.320 213 H GLU 28 H GLU 28 1.896 9.971 -20.904 214 HA GLU 28 HA GLU 28 2.152 11.849 -23.183 215 HB2 GLU 28 HB2 GLU 28 2.819 9.622 -24.009 216 HB3 GLU 28 HB3 GLU 28 1.303 8.941 -23.407 217 HG2 GLU 28 HG2 GLU 28 1.305 9.449 -25.877 218 HG3 GLU 28 HG3 GLU 28 0.017 10.207 -24.946 219 H THR 29 H THR 29 0.526 13.195 -22.929 220 HA THR 29 HA THR 29 -2.145 12.230 -22.111 221 HB THR 29 HB THR 29 -0.898 13.066 -20.164 222 HG1 THR 29 HG1 THR 29 -3.170 13.333 -20.299 223 HG21 THR 29 HG21 THR 29 0.553 14.758 -20.971 224 HG22 THR 29 HG22 THR 29 -0.553 15.500 -19.811 225 HG23 THR 29 HG23 THR 29 -0.814 15.752 -21.541 226 H SER 30 H SER 30 -3.749 14.026 -22.248 227 HA SER 30 HA SER 30 -3.480 15.666 -24.698 228 HB2 SER 30 HB2 SER 30 -5.253 13.440 -24.146 229 HB3 SER 30 HB3 SER 30 -6.212 14.909 -24.337 230 HG SER 30 HG SER 30 -5.482 15.189 -26.305 231 H ARG 31 H ARG 31 -3.452 15.922 -21.465 232 HA ARG 31 HA ARG 31 -5.559 17.833 -20.958 233 HB2 ARG 31 HB2 ARG 31 -2.860 17.278 -19.620 234 HB3 ARG 31 HB3 ARG 31 -4.048 18.418 -18.994 235 HG2 ARG 31 HG2 ARG 31 -5.695 16.620 -18.661 236 HG3 ARG 31 HG3 ARG 31 -4.608 15.459 -19.398 237 HD2 ARG 31 HD2 ARG 31 -4.263 15.079 -17.165 238 HD3 ARG 31 HD3 ARG 31 -2.906 16.128 -17.554 239 HE ARG 31 HE ARG 31 -4.792 17.924 -16.746 240 HH11 ARG 31 HH11 ARG 31 -3.985 14.840 -15.249 241 HH12 ARG 31 HH12 ARG 31 -4.359 15.326 -13.629 242 HH21 ARG 31 HH21 ARG 31 -5.038 18.700 -14.527 243 HH22 ARG 31 HH22 ARG 31 -5.007 17.545 -13.247 244 H ASP 32 H ASP 32 -4.905 20.230 -20.453 245 HA ASP 32 HA ASP 32 -3.781 21.367 -22.858 246 HB2 ASP 32 HB2 ASP 32 -5.422 22.617 -21.664 247 HB3 ASP 32 HB3 ASP 32 -4.539 22.498 -20.147 248 H ASN 33 H ASN 33 -2.444 20.436 -19.740 249 HA ASN 33 HA ASN 33 0.235 20.352 -20.639 250 HB2 ASN 33 HB2 ASN 33 -0.228 22.911 -19.998 251 HB3 ASN 33 HB3 ASN 33 -0.188 22.291 -18.347 252 HD21 ASN 33 HD21 ASN 33 1.696 22.344 -21.428 253 HD22 ASN 33 HD22 ASN 33 3.249 22.282 -20.633 254 H ILE 34 H ILE 34 1.563 19.511 -18.606 255 HA ILE 34 HA ILE 34 -0.340 17.944 -16.987 256 HB ILE 34 HB ILE 34 1.335 16.730 -18.291 257 HG12 ILE 34 HG12 ILE 34 2.234 15.367 -16.215 258 HG13 ILE 34 HG13 ILE 34 1.279 16.485 -15.243 259 HG21 ILE 34 HG21 ILE 34 3.640 16.653 -17.682 260 HG22 ILE 34 HG22 ILE 34 3.228 18.341 -18.029 261 HG23 ILE 34 HG23 ILE 34 3.382 17.791 -16.341 262 HD11 ILE 34 HD11 ILE 34 -0.787 15.778 -16.436 263 HD12 ILE 34 HD12 ILE 34 0.176 14.826 -17.550 264 HD13 ILE 34 HD13 ILE 34 0.084 14.355 -15.828 265 HA PRO 35 HA PRO 35 0.625 20.766 -13.646 266 HB2 PRO 35 HB2 PRO 35 -0.494 19.254 -11.611 267 HB3 PRO 35 HB3 PRO 35 -1.445 20.333 -12.707 268 HG2 PRO 35 HG2 PRO 35 -0.871 17.423 -12.688 269 HG3 PRO 35 HG3 PRO 35 -2.462 18.165 -13.047 270 HD2 PRO 35 HD2 PRO 35 -0.779 17.162 -14.900 271 HD3 PRO 35 HD3 PRO 35 -1.763 18.603 -15.283 272 H GLU 36 H GLU 36 2.202 20.799 -11.942 273 HA GLU 36 HA GLU 36 4.270 18.831 -12.187 274 HB2 GLU 36 HB2 GLU 36 5.291 19.973 -10.225 275 HB3 GLU 36 HB3 GLU 36 4.880 20.988 -11.648 276 HG2 GLU 36 HG2 GLU 36 2.801 21.726 -10.473 277 HG3 GLU 36 HG3 GLU 36 3.313 20.821 -9.048 278 H GLU 37 H GLU 37 1.591 19.190 -9.960 279 HA GLU 37 HA GLU 37 2.614 17.393 -7.950 280 HB2 GLU 37 HB2 GLU 37 0.345 17.085 -7.166 281 HB3 GLU 37 HB3 GLU 37 0.695 18.787 -7.493 282 HG2 GLU 37 HG2 GLU 37 -0.433 18.028 -9.878 283 HG3 GLU 37 HG3 GLU 37 -1.257 16.935 -8.777 284 H LEU 38 H LEU 38 0.921 16.749 -10.993 285 HA LEU 38 HA LEU 38 0.700 13.921 -10.635 286 HB2 LEU 38 HB2 LEU 38 0.696 15.814 -12.980 287 HB3 LEU 38 HB3 LEU 38 0.823 14.132 -13.320 288 HG LEU 38 HG LEU 38 -1.498 15.264 -13.359 289 HD11 LEU 38 HD11 LEU 38 -2.589 13.198 -12.850 290 HD12 LEU 38 HD12 LEU 38 -1.231 12.697 -11.823 291 HD13 LEU 38 HD13 LEU 38 -1.044 12.833 -13.595 292 HD21 LEU 38 HD21 LEU 38 -1.403 14.627 -10.372 293 HD22 LEU 38 HD22 LEU 38 -2.786 15.273 -11.284 294 HD23 LEU 38 HD23 LEU 38 -1.338 16.261 -11.013 295 H LEU 39 H LEU 39 3.167 16.042 -12.131 296 HA LEU 39 HA LEU 39 4.862 13.932 -13.004 297 HB2 LEU 39 HB2 LEU 39 5.554 16.792 -12.193 298 HB3 LEU 39 HB3 LEU 39 6.698 15.683 -12.934 299 HG LEU 39 HG LEU 39 4.128 16.658 -14.256 300 HD11 LEU 39 HD11 LEU 39 5.773 18.478 -13.979 301 HD12 LEU 39 HD12 LEU 39 5.664 18.003 -15.670 302 HD13 LEU 39 HD13 LEU 39 7.046 17.461 -14.707 303 HD21 LEU 39 HD21 LEU 39 5.167 15.709 -16.308 304 HD22 LEU 39 HD22 LEU 39 4.794 14.459 -15.130 305 HD23 LEU 39 HD23 LEU 39 6.477 15.037 -15.336 306 H ASN 40 H ASN 40 4.810 15.825 -9.968 307 HA ASN 40 HA ASN 40 7.000 14.632 -8.684 308 HB2 ASN 40 HB2 ASN 40 4.538 16.185 -7.874 309 HB3 ASN 40 HB3 ASN 40 5.408 15.318 -6.602 310 HD21 ASN 40 HD21 ASN 40 5.137 18.346 -7.622 311 HD22 ASN 40 HD22 ASN 40 6.818 18.869 -7.603 312 H GLU 41 H GLU 41 3.581 13.636 -8.757 313 HA GLU 41 HA GLU 41 3.875 11.507 -6.878 314 HB2 GLU 41 HB2 GLU 41 1.832 12.560 -8.715 315 HB3 GLU 41 HB3 GLU 41 1.819 10.801 -8.687 316 HG2 GLU 41 HG2 GLU 41 0.269 11.512 -7.064 317 HG3 GLU 41 HG3 GLU 41 1.639 10.778 -6.238 318 H TRP 42 H TRP 42 3.808 11.497 -10.488 319 HA TRP 42 HA TRP 42 4.387 8.656 -10.586 320 HB2 TRP 42 HB2 TRP 42 4.858 10.698 -12.760 321 HB3 TRP 42 HB3 TRP 42 4.619 8.961 -12.923 322 HD1 TRP 42 HD1 TRP 42 2.869 11.328 -14.298 323 HE1 TRP 42 HE1 TRP 42 0.333 11.418 -13.987 324 HE3 TRP 42 HE3 TRP 42 2.374 8.463 -10.027 325 HZ2 TRP 42 HZ2 TRP 42 -1.621 10.557 -12.092 326 HZ3 TRP 42 HZ3 TRP 42 0.160 8.227 -8.969 327 HH2 TRP 42 HH2 TRP 42 -1.844 9.267 -9.982 328 H LYS 43 H LYS 43 6.544 11.529 -10.592 329 HA LYS 43 HA LYS 43 8.888 10.071 -11.248 330 HB2 LYS 43 HB2 LYS 43 8.397 12.658 -9.765 331 HB3 LYS 43 HB3 LYS 43 10.031 11.985 -9.981 332 HG2 LYS 43 HG2 LYS 43 9.863 12.040 -12.366 333 HG3 LYS 43 HG3 LYS 43 8.159 12.423 -12.325 334 HD2 LYS 43 HD2 LYS 43 9.330 14.430 -12.851 335 HD3 LYS 43 HD3 LYS 43 8.639 14.597 -11.244 336 HE2 LYS 43 HE2 LYS 43 11.497 13.597 -11.551 337 HE3 LYS 43 HE3 LYS 43 11.168 15.312 -11.817 338 HZ1 LYS 43 HZ1 LYS 43 10.536 13.905 -9.278 339 HZ2 LYS 43 HZ2 LYS 43 10.238 15.463 -9.636 340 HZ3 LYS 43 HZ3 LYS 43 11.795 14.941 -9.561 341 H TYR 44 H TYR 44 7.146 10.581 -8.233 342 HA TYR 44 HA TYR 44 9.122 9.771 -6.389 343 HB2 TYR 44 HB2 TYR 44 6.869 10.734 -5.856 344 HB3 TYR 44 HB3 TYR 44 6.154 9.178 -6.233 345 HD1 TYR 44 HD1 TYR 44 8.990 10.488 -4.086 346 HD2 TYR 44 HD2 TYR 44 5.538 7.938 -4.422 347 HE1 TYR 44 HE1 TYR 44 9.212 9.882 -1.708 348 HE2 TYR 44 HE2 TYR 44 5.787 7.264 -2.054 349 HH TYR 44 HH TYR 44 8.450 8.450 -0.011 350 H TYR 45 H TYR 45 7.140 7.744 -8.527 351 HA TYR 45 HA TYR 45 8.597 5.319 -7.580 352 HB2 TYR 45 HB2 TYR 45 5.757 5.589 -8.608 353 HB3 TYR 45 HB3 TYR 45 6.529 4.087 -8.255 354 HD1 TYR 45 HD1 TYR 45 7.640 3.946 -5.754 355 HD2 TYR 45 HD2 TYR 45 4.251 6.329 -6.949 356 HE1 TYR 45 HE1 TYR 45 6.766 3.863 -3.450 357 HE2 TYR 45 HE2 TYR 45 3.345 6.211 -4.674 358 HH TYR 45 HH TYR 45 3.579 5.182 -2.597 359 H ARG 46 H ARG 46 9.305 7.371 -9.826 360 HA ARG 46 HA ARG 46 8.625 6.361 -12.305 361 HB2 ARG 46 HB2 ARG 46 10.240 7.586 -13.269 362 HB3 ARG 46 HB3 ARG 46 9.951 8.481 -11.816 363 HG2 ARG 46 HG2 ARG 46 12.276 6.574 -12.274 364 HG3 ARG 46 HG3 ARG 46 12.318 8.307 -12.601 365 HD2 ARG 46 HD2 ARG 46 12.043 8.897 -10.343 366 HD3 ARG 46 HD3 ARG 46 11.486 7.289 -9.902 367 HE ARG 46 HE ARG 46 13.579 6.706 -9.412 368 HH11 ARG 46 HH11 ARG 46 13.873 9.551 -11.499 369 HH12 ARG 46 HH12 ARG 46 15.603 9.513 -11.469 370 HH21 ARG 46 HH21 ARG 46 15.797 6.683 -9.444 371 HH22 ARG 46 HH22 ARG 46 16.758 7.658 -10.497 372 H GLN 47 H GLN 47 11.189 5.173 -10.131 373 HA GLN 47 HA GLN 47 12.324 3.389 -12.041 374 HB2 GLN 47 HB2 GLN 47 13.398 4.300 -9.939 375 HB3 GLN 47 HB3 GLN 47 12.338 3.243 -8.989 376 HG2 GLN 47 HG2 GLN 47 14.583 2.278 -9.289 377 HG3 GLN 47 HG3 GLN 47 13.353 1.261 -10.035 378 HE21 GLN 47 HE21 GLN 47 13.945 0.513 -12.016 379 HE22 GLN 47 HE22 GLN 47 14.982 1.296 -13.190 380 H ASP 48 H ASP 48 9.797 2.966 -9.513 381 HA ASP 48 HA ASP 48 9.460 0.145 -9.828 382 HB2 ASP 48 HB2 ASP 48 8.581 1.814 -7.975 383 HB3 ASP 48 HB3 ASP 48 7.315 2.130 -9.127 384 H LEU 49 H LEU 49 8.047 2.971 -11.295 385 HA LEU 49 HA LEU 49 6.044 1.784 -12.943 386 HB2 LEU 49 HB2 LEU 49 7.447 4.460 -12.935 387 HB3 LEU 49 HB3 LEU 49 6.581 3.978 -14.363 388 HG LEU 49 HG LEU 49 5.080 3.688 -11.791 389 HD11 LEU 49 HD11 LEU 49 5.652 6.388 -13.083 390 HD12 LEU 49 HD12 LEU 49 6.167 5.847 -11.465 391 HD13 LEU 49 HD13 LEU 49 4.450 6.071 -11.804 392 HD21 LEU 49 HD21 LEU 49 3.224 4.416 -13.179 393 HD22 LEU 49 HD22 LEU 49 4.066 3.036 -13.890 394 HD23 LEU 49 HD23 LEU 49 4.325 4.665 -14.553 395 H ILE 50 H ILE 50 9.192 3.173 -13.949 396 HA ILE 50 HA ILE 50 9.316 2.362 -16.528 397 HB ILE 50 HB ILE 50 11.528 2.534 -14.437 398 HG12 ILE 50 HG12 ILE 50 11.311 4.303 -16.883 399 HG13 ILE 50 HG13 ILE 50 10.204 4.588 -15.558 400 HG21 ILE 50 HG21 ILE 50 13.155 2.543 -16.461 401 HG22 ILE 50 HG22 ILE 50 12.489 0.985 -15.975 402 HG23 ILE 50 HG23 ILE 50 11.808 1.813 -17.375 403 HD11 ILE 50 HD11 ILE 50 12.306 5.975 -15.389 404 HD12 ILE 50 HD12 ILE 50 12.140 4.918 -13.998 405 HD13 ILE 50 HD13 ILE 50 13.270 4.501 -15.297 406 H ASP 51 H ASP 51 10.348 0.272 -13.772 407 HA ASP 51 HA ASP 51 11.270 -1.929 -15.123 408 HB2 ASP 51 HB2 ASP 51 11.097 -1.482 -12.636 409 HB3 ASP 51 HB3 ASP 51 9.401 -1.926 -12.735 410 H PHE 52 H PHE 52 7.818 -1.301 -14.325 411 HA PHE 52 HA PHE 52 6.855 -3.571 -15.890 412 HB2 PHE 52 HB2 PHE 52 5.515 -1.240 -14.458 413 HB3 PHE 52 HB3 PHE 52 4.622 -2.365 -15.448 414 HD1 PHE 52 HD1 PHE 52 6.949 -2.353 -12.485 415 HD2 PHE 52 HD2 PHE 52 3.690 -4.304 -14.522 416 HE1 PHE 52 HE1 PHE 52 6.623 -3.856 -10.536 417 HE2 PHE 52 HE2 PHE 52 3.356 -5.781 -12.571 418 HZ PHE 52 HZ PHE 52 4.806 -5.564 -10.571 419 H LEU 53 H LEU 53 7.304 -0.087 -16.429 420 HA LEU 53 HA LEU 53 5.626 0.095 -18.736 421 HB2 LEU 53 HB2 LEU 53 8.112 1.728 -18.143 422 HB3 LEU 53 HB3 LEU 53 6.897 2.158 -19.317 423 HG LEU 53 HG LEU 53 6.864 2.428 -16.373 424 HD11 LEU 53 HD11 LEU 53 5.958 4.551 -16.797 425 HD12 LEU 53 HD12 LEU 53 5.800 4.145 -18.516 426 HD13 LEU 53 HD13 LEU 53 7.403 4.309 -17.792 427 HD21 LEU 53 HD21 LEU 53 4.315 2.117 -17.963 428 HD22 LEU 53 HD22 LEU 53 4.428 2.789 -16.316 429 HD23 LEU 53 HD23 LEU 53 4.869 1.105 -16.595 430 H GLN 54 H GLN 54 9.009 -0.810 -18.351 431 HA GLN 54 HA GLN 54 9.764 -0.744 -21.064 432 HB2 GLN 54 HB2 GLN 54 10.605 -2.791 -18.964 433 HB3 GLN 54 HB3 GLN 54 11.457 -2.425 -20.467 434 HG2 GLN 54 HG2 GLN 54 11.101 0.046 -19.004 435 HG3 GLN 54 HG3 GLN 54 11.607 -1.204 -17.871 436 HE21 GLN 54 HE21 GLN 54 13.051 1.211 -18.752 437 HE22 GLN 54 HE22 GLN 54 14.570 0.629 -19.417 438 H GLN 55 H GLN 55 8.114 -3.132 -19.125 439 HA GLN 55 HA GLN 55 7.964 -5.245 -21.119 440 HB2 GLN 55 HB2 GLN 55 6.305 -4.884 -18.591 441 HB3 GLN 55 HB3 GLN 55 6.509 -6.366 -19.505 442 HG2 GLN 55 HG2 GLN 55 8.819 -4.903 -18.152 443 HG3 GLN 55 HG3 GLN 55 7.848 -6.126 -17.363 444 HE21 GLN 55 HE21 GLN 55 8.723 -8.140 -17.373 445 HE22 GLN 55 HE22 GLN 55 9.717 -8.836 -18.615 446 H LEU 56 H LEU 56 5.842 -2.575 -20.122 447 HA LEU 56 HA LEU 56 3.442 -3.409 -21.405 448 HB2 LEU 56 HB2 LEU 56 4.512 -0.899 -20.279 449 HB3 LEU 56 HB3 LEU 56 3.499 -0.640 -21.686 450 HG LEU 56 HG LEU 56 1.739 -2.124 -20.591 451 HD11 LEU 56 HD11 LEU 56 3.160 -3.207 -18.861 452 HD12 LEU 56 HD12 LEU 56 1.822 -2.306 -18.111 453 HD13 LEU 56 HD13 LEU 56 3.460 -1.626 -18.123 454 HD21 LEU 56 HD21 LEU 56 1.561 0.310 -20.716 455 HD22 LEU 56 HD22 LEU 56 2.509 0.482 -19.225 456 HD23 LEU 56 HD23 LEU 56 0.902 -0.283 -19.186 457 H ASP 57 H ASP 57 6.113 -1.342 -22.598 458 HA ASP 57 HA ASP 57 5.027 -1.289 -25.319 459 HB2 ASP 57 HB2 ASP 57 6.354 0.583 -24.254 460 HB3 ASP 57 HB3 ASP 57 7.792 -0.435 -24.358 461 H ALA 58 H ALA 58 7.423 -3.143 -23.551 462 HA ALA 58 HA ALA 58 8.790 -4.841 -24.012 463 HB1 ALA 58 HB1 ALA 58 6.649 -5.951 -24.508 464 HB2 ALA 58 HB2 ALA 58 6.778 -5.460 -26.216 465 HB3 ALA 58 HB3 ALA 58 7.958 -6.588 -25.520 466 H LYS 59 H LYS 59 9.269 -2.216 -25.374 467 HA LYS 59 HA LYS 59 11.429 -3.031 -27.149 468 HB2 LYS 59 HB2 LYS 59 9.150 -2.847 -28.426 469 HB3 LYS 59 HB3 LYS 59 9.246 -1.123 -28.128 470 HG2 LYS 59 HG2 LYS 59 11.307 -0.967 -29.431 471 HG3 LYS 59 HG3 LYS 59 11.360 -2.727 -29.621 472 HD2 LYS 59 HD2 LYS 59 8.897 -1.235 -30.531 473 HD3 LYS 59 HD3 LYS 59 10.362 -1.092 -31.474 474 HE2 LYS 59 HE2 LYS 59 8.883 -2.850 -32.330 475 HE3 LYS 59 HE3 LYS 59 10.486 -3.437 -31.905 476 HZ1 LYS 59 HZ1 LYS 59 9.619 -4.489 -29.986 477 HZ2 LYS 59 HZ2 LYS 59 8.607 -4.883 -31.202 478 HZ3 LYS 59 HZ3 LYS 59 8.144 -3.748 -30.117 479 H GLU 60 H GLU 60 12.528 -0.818 -27.910 480 HA GLU 60 HA GLU 60 12.143 1.380 -26.048 481 HB2 GLU 60 HB2 GLU 60 14.444 1.451 -25.308 482 HB3 GLU 60 HB3 GLU 60 13.702 -0.095 -24.886 483 HG2 GLU 60 HG2 GLU 60 14.850 -0.907 -27.173 484 HG3 GLU 60 HG3 GLU 60 15.907 0.478 -26.862 485 H GLU 61 H GLU 61 14.169 3.079 -26.832 486 HA GLU 61 HA GLU 61 14.170 3.048 -29.765 487 HB2 GLU 61 HB2 GLU 61 11.980 4.062 -28.946 488 HB3 GLU 61 HB3 GLU 61 12.915 5.399 -28.299 489 HG2 GLU 61 HG2 GLU 61 13.876 5.693 -30.664 490 HG3 GLU 61 HG3 GLU 61 12.737 4.459 -31.200 491 H THR 62 H THR 62 16.445 2.635 -28.698 492 HA THR 62 HA THR 62 17.807 4.916 -27.629 493 HB THR 62 HB THR 62 18.734 2.742 -27.254 494 HG1 THR 62 HG1 THR 62 20.464 4.050 -29.071 495 HG21 THR 62 HG21 THR 62 18.038 1.529 -29.260 496 HG22 THR 62 HG22 THR 62 19.768 1.362 -28.980 497 HG23 THR 62 HG23 THR 62 19.206 2.457 -30.241 498 H GLN 63 H GLN 63 18.885 6.536 -28.609 499 HA GLN 63 HA GLN 63 18.158 7.378 -31.252 500 HB2 GLN 63 HB2 GLN 63 20.198 8.364 -29.223 501 HB3 GLN 63 HB3 GLN 63 19.812 9.224 -30.721 502 HG2 GLN 63 HG2 GLN 63 17.580 8.512 -28.754 503 HG3 GLN 63 HG3 GLN 63 18.668 9.855 -28.425 504 HE21 GLN 63 HE21 GLN 63 18.741 11.624 -29.822 505 HE22 GLN 63 HE22 GLN 63 17.402 12.030 -30.901 Start of MODEL 7 1 H1 MET 1 H MET 1 3.149 -2.053 -0.955 2 HA MET 1 HA MET 1 4.028 0.585 -1.944 3 HB2 MET 1 HB2 MET 1 5.491 -0.568 -3.510 4 HB3 MET 1 HB3 MET 1 5.906 -0.883 -1.835 5 HG2 MET 1 HG2 MET 1 4.756 -3.102 -2.004 6 HG3 MET 1 HG3 MET 1 4.502 -2.785 -3.731 7 HE1 MET 1 HE1 MET 1 5.887 -5.377 -2.455 8 HE2 MET 1 HE2 MET 1 5.587 -5.153 -4.197 9 HE3 MET 1 HE3 MET 1 7.204 -5.613 -3.623 10 H LYS 2 H LYS 2 2.816 1.472 -3.504 11 HA LYS 2 HA LYS 2 0.541 0.023 -4.727 12 HB2 LYS 2 HB2 LYS 2 0.448 2.448 -3.983 13 HB3 LYS 2 HB3 LYS 2 1.683 2.799 -5.205 14 HG2 LYS 2 HG2 LYS 2 0.178 2.016 -6.978 15 HG3 LYS 2 HG3 LYS 2 -1.109 1.714 -5.801 16 HD2 LYS 2 HD2 LYS 2 -0.884 4.225 -5.170 17 HD3 LYS 2 HD3 LYS 2 0.212 4.378 -6.539 18 HE2 LYS 2 HE2 LYS 2 -1.803 4.987 -7.521 19 HE3 LYS 2 HE3 LYS 2 -1.646 3.281 -7.942 20 HZ1 LYS 2 HZ1 LYS 2 -3.321 4.433 -5.805 21 HZ2 LYS 2 HZ2 LYS 2 -3.101 2.825 -5.990 22 HZ3 LYS 2 HZ3 LYS 2 -3.848 3.666 -7.168 23 H ASN 3 H ASN 3 1.097 -1.407 -6.177 24 HA ASN 3 HA ASN 3 3.553 -1.513 -7.618 25 HB2 ASN 3 HB2 ASN 3 1.858 -2.987 -9.185 26 HB3 ASN 3 HB3 ASN 3 2.816 -3.569 -7.853 27 HD21 ASN 3 HD21 ASN 3 -0.266 -3.840 -9.061 28 HD22 ASN 3 HD22 ASN 3 -1.102 -4.122 -7.564 29 H ALA 4 H ALA 4 4.022 -0.970 -9.789 30 HA ALA 4 HA ALA 4 3.369 1.494 -10.705 31 HB1 ALA 4 HB1 ALA 4 5.247 0.241 -11.475 32 HB2 ALA 4 HB2 ALA 4 4.185 -0.919 -12.317 33 HB3 ALA 4 HB3 ALA 4 4.235 0.786 -12.828 34 H ALA 5 H ALA 5 1.750 -1.553 -11.616 35 HA ALA 5 HA ALA 5 0.155 -0.635 -13.643 36 HB1 ALA 5 HB1 ALA 5 -1.373 -2.488 -13.021 37 HB2 ALA 5 HB2 ALA 5 0.325 -2.991 -12.960 38 HB3 ALA 5 HB3 ALA 5 -0.555 -2.633 -11.456 39 H GLN 6 H GLN 6 -0.439 -0.341 -10.099 40 HA GLN 6 HA GLN 6 -3.110 0.743 -10.336 41 HB2 GLN 6 HB2 GLN 6 -0.989 0.615 -8.146 42 HB3 GLN 6 HB3 GLN 6 -2.490 1.452 -7.903 43 HG2 GLN 6 HG2 GLN 6 -3.756 -0.565 -8.272 44 HG3 GLN 6 HG3 GLN 6 -2.254 -1.503 -8.467 45 HE21 GLN 6 HE21 GLN 6 -0.826 -1.607 -6.550 46 HE22 GLN 6 HE22 GLN 6 -1.510 -1.449 -4.943 47 H ILE 7 H ILE 7 0.189 2.072 -10.298 48 HA ILE 7 HA ILE 7 -0.597 4.787 -9.735 49 HB ILE 7 HB ILE 7 1.983 3.967 -11.155 50 HG12 ILE 7 HG12 ILE 7 1.195 3.556 -8.283 51 HG13 ILE 7 HG13 ILE 7 2.008 2.466 -9.359 52 HG21 ILE 7 HG21 ILE 7 1.206 6.173 -9.197 53 HG22 ILE 7 HG22 ILE 7 2.789 6.005 -9.956 54 HG23 ILE 7 HG23 ILE 7 1.389 6.365 -10.959 55 HD11 ILE 7 HD11 ILE 7 4.058 3.912 -9.251 56 HD12 ILE 7 HD12 ILE 7 3.234 4.879 -7.988 57 HD13 ILE 7 HD13 ILE 7 3.590 3.181 -7.707 58 H VAL 8 H VAL 8 0.251 2.950 -12.704 59 HA VAL 8 HA VAL 8 -0.231 5.110 -14.503 60 HB VAL 8 HB VAL 8 -0.153 2.104 -14.872 61 HG11 VAL 8 HG11 VAL 8 -0.275 4.196 -17.067 62 HG12 VAL 8 HG12 VAL 8 0.080 2.465 -17.285 63 HG13 VAL 8 HG13 VAL 8 -1.507 2.965 -16.720 64 HG21 VAL 8 HG21 VAL 8 1.952 2.872 -14.230 65 HG22 VAL 8 HG22 VAL 8 2.028 2.676 -15.984 66 HG23 VAL 8 HG23 VAL 8 1.847 4.296 -15.271 67 H ASP 9 H ASP 9 -2.451 2.561 -13.241 68 HA ASP 9 HA ASP 9 -4.631 3.218 -14.942 69 HB2 ASP 9 HB2 ASP 9 -4.266 1.778 -12.332 70 HB3 ASP 9 HB3 ASP 9 -5.852 2.459 -12.588 71 H GLU 10 H GLU 10 -3.665 4.576 -11.815 72 HA GLU 10 HA GLU 10 -5.849 6.408 -11.503 73 HB2 GLU 10 HB2 GLU 10 -2.997 6.188 -10.455 74 HB3 GLU 10 HB3 GLU 10 -3.856 7.680 -10.192 75 HG2 GLU 10 HG2 GLU 10 -4.848 4.926 -9.346 76 HG3 GLU 10 HG3 GLU 10 -3.979 6.027 -8.299 77 H ALA 11 H ALA 11 -2.614 6.763 -13.086 78 HA ALA 11 HA ALA 11 -2.991 9.540 -13.702 79 HB1 ALA 11 HB1 ALA 11 -1.317 7.655 -15.376 80 HB2 ALA 11 HB2 ALA 11 -0.974 9.344 -14.964 81 HB3 ALA 11 HB3 ALA 11 -0.821 8.082 -13.730 82 H LEU 12 H LEU 12 -3.563 6.553 -15.569 83 HA LEU 12 HA LEU 12 -4.327 7.656 -18.012 84 HB2 LEU 12 HB2 LEU 12 -3.850 5.309 -17.762 85 HB3 LEU 12 HB3 LEU 12 -5.122 5.121 -16.545 86 HG LEU 12 HG LEU 12 -6.825 5.720 -18.195 87 HD11 LEU 12 HD11 LEU 12 -6.186 5.605 -20.668 88 HD12 LEU 12 HD12 LEU 12 -4.485 5.558 -20.193 89 HD13 LEU 12 HD13 LEU 12 -5.469 6.999 -19.868 90 HD21 LEU 12 HD21 LEU 12 -5.071 3.351 -18.942 91 HD22 LEU 12 HD22 LEU 12 -6.754 3.581 -19.432 92 HD23 LEU 12 HD23 LEU 12 -6.358 3.393 -17.715 93 H ASN 13 H ASN 13 -6.216 7.084 -15.129 94 HA ASN 13 HA ASN 13 -8.841 7.606 -15.966 95 HB2 ASN 13 HB2 ASN 13 -7.859 6.874 -13.652 96 HB3 ASN 13 HB3 ASN 13 -7.684 8.597 -13.340 97 HD21 ASN 13 HD21 ASN 13 -9.725 5.986 -13.041 98 HD22 ASN 13 HD22 ASN 13 -11.225 6.836 -12.734 99 H GLN 14 H GLN 14 -6.158 9.894 -15.185 100 HA GLN 14 HA GLN 14 -7.870 12.236 -15.533 101 HB2 GLN 14 HB2 GLN 14 -4.888 12.262 -15.207 102 HB3 GLN 14 HB3 GLN 14 -6.133 13.439 -14.729 103 HG2 GLN 14 HG2 GLN 14 -6.830 11.530 -13.062 104 HG3 GLN 14 HG3 GLN 14 -5.247 10.870 -13.420 105 HE21 GLN 14 HE21 GLN 14 -4.821 11.260 -11.003 106 HE22 GLN 14 HE22 GLN 14 -4.130 12.808 -10.642 107 H GLY 15 H GLY 15 -6.639 10.189 -17.730 108 HA2 GLY 15 HA2 GLY 15 -6.394 10.416 -20.008 109 HA3 GLY 15 HA3 GLY 15 -6.467 12.169 -19.852 110 H ILE 16 H ILE 16 -4.020 10.278 -17.981 111 HA ILE 16 HA ILE 16 -1.972 11.183 -19.911 112 HB ILE 16 HB ILE 16 -1.879 12.839 -18.314 113 HG12 ILE 16 HG12 ILE 16 0.235 11.611 -18.994 114 HG13 ILE 16 HG13 ILE 16 0.308 12.836 -17.752 115 HG21 ILE 16 HG21 ILE 16 -2.031 10.855 -16.088 116 HG22 ILE 16 HG22 ILE 16 -1.645 12.572 -15.894 117 HG23 ILE 16 HG23 ILE 16 -3.226 12.075 -16.519 118 HD11 ILE 16 HD11 ILE 16 1.705 11.019 -17.146 119 HD12 ILE 16 HD12 ILE 16 0.345 11.076 -16.021 120 HD13 ILE 16 HD13 ILE 16 0.378 9.855 -17.313 121 H THR 17 H THR 17 -0.743 9.653 -20.577 122 HA THR 17 HA THR 17 -0.842 6.971 -19.254 123 HB THR 17 HB THR 17 -0.158 7.925 -22.077 124 HG1 THR 17 HG1 THR 17 -2.317 6.264 -21.482 125 HG21 THR 17 HG21 THR 17 -0.577 5.050 -21.232 126 HG22 THR 17 HG22 THR 17 1.012 5.769 -21.596 127 HG23 THR 17 HG23 THR 17 -0.199 5.657 -22.855 128 H LEU 18 H LEU 18 1.118 5.759 -19.074 129 HA LEU 18 HA LEU 18 3.576 7.437 -18.893 130 HB2 LEU 18 HB2 LEU 18 2.765 5.038 -17.112 131 HB3 LEU 18 HB3 LEU 18 4.300 5.889 -17.133 132 HG LEU 18 HG LEU 18 3.075 6.677 -15.310 133 HD11 LEU 18 HD11 LEU 18 4.324 8.430 -16.616 134 HD12 LEU 18 HD12 LEU 18 3.001 9.039 -15.585 135 HD13 LEU 18 HD13 LEU 18 2.747 8.878 -17.323 136 HD21 LEU 18 HD21 LEU 18 0.788 6.073 -16.203 137 HD22 LEU 18 HD22 LEU 18 0.757 7.685 -16.906 138 HD23 LEU 18 HD23 LEU 18 0.981 7.487 -15.155 139 H PHE 19 H PHE 19 5.265 6.817 -20.101 140 HA PHE 19 HA PHE 19 5.357 4.008 -21.112 141 HB2 PHE 19 HB2 PHE 19 4.452 6.140 -22.686 142 HB3 PHE 19 HB3 PHE 19 6.126 6.009 -23.129 143 HD1 PHE 19 HD1 PHE 19 2.953 4.064 -22.759 144 HD2 PHE 19 HD2 PHE 19 6.797 4.337 -24.706 145 HE1 PHE 19 HE1 PHE 19 2.264 2.311 -24.370 146 HE2 PHE 19 HE2 PHE 19 6.131 2.555 -26.262 147 HZ PHE 19 HZ PHE 19 3.863 1.527 -26.115 148 H VAL 20 H VAL 20 7.498 3.521 -22.209 149 HA VAL 20 HA VAL 20 9.718 5.095 -21.024 150 HB VAL 20 HB VAL 20 9.170 2.135 -20.874 151 HG11 VAL 20 HG11 VAL 20 11.532 1.576 -20.618 152 HG12 VAL 20 HG12 VAL 20 11.237 2.106 -22.265 153 HG13 VAL 20 HG13 VAL 20 12.025 3.210 -21.119 154 HG21 VAL 20 HG21 VAL 20 9.127 3.881 -19.014 155 HG22 VAL 20 HG22 VAL 20 10.090 2.411 -18.745 156 HG23 VAL 20 HG23 VAL 20 10.887 3.939 -19.166 157 H ALA 21 H ALA 21 11.311 5.600 -22.212 158 HA ALA 21 HA ALA 21 11.989 4.602 -24.843 159 HB1 ALA 21 HB1 ALA 21 11.825 6.895 -25.839 160 HB2 ALA 21 HB2 ALA 21 10.225 6.236 -25.468 161 HB3 ALA 21 HB3 ALA 21 10.955 7.455 -24.395 162 H ASP 22 H ASP 22 14.239 5.427 -25.209 163 HA ASP 22 HA ASP 22 16.336 5.976 -24.400 164 HB2 ASP 22 HB2 ASP 22 14.573 8.169 -24.179 165 HB3 ASP 22 HB3 ASP 22 15.373 8.158 -22.641 166 H ASN 23 H ASN 23 14.596 4.135 -22.643 167 HA ASN 23 HA ASN 23 14.700 3.033 -20.782 168 HB2 ASN 23 HB2 ASN 23 17.179 3.049 -21.687 169 HB3 ASN 23 HB3 ASN 23 17.514 4.015 -20.262 170 HD21 ASN 23 HD21 ASN 23 15.813 1.099 -21.358 171 HD22 ASN 23 HD22 ASN 23 16.423 0.005 -20.143 172 H ARG 24 H ARG 24 13.917 5.948 -20.675 173 HA ARG 24 HA ARG 24 14.052 6.325 -17.714 174 HB2 ARG 24 HB2 ARG 24 14.283 8.678 -18.030 175 HB3 ARG 24 HB3 ARG 24 15.434 7.919 -19.149 176 HG2 ARG 24 HG2 ARG 24 13.698 8.152 -20.940 177 HG3 ARG 24 HG3 ARG 24 12.736 9.144 -19.841 178 HD2 ARG 24 HD2 ARG 24 15.596 9.863 -20.490 179 HD3 ARG 24 HD3 ARG 24 14.334 10.141 -21.669 180 HE ARG 24 HE ARG 24 13.334 11.748 -20.449 181 HH11 ARG 24 HH11 ARG 24 16.215 10.606 -18.716 182 HH12 ARG 24 HH12 ARG 24 16.212 11.866 -17.540 183 HH21 ARG 24 HH21 ARG 24 13.323 13.427 -19.006 184 HH22 ARG 24 HH22 ARG 24 14.443 13.537 -17.660 185 H LEU 25 H LEU 25 12.183 7.656 -16.872 186 HA LEU 25 HA LEU 25 9.701 6.526 -17.851 187 HB2 LEU 25 HB2 LEU 25 10.389 6.961 -15.365 188 HB3 LEU 25 HB3 LEU 25 10.251 8.654 -15.701 189 HG LEU 25 HG LEU 25 8.373 7.596 -14.465 190 HD11 LEU 25 HD11 LEU 25 8.117 9.760 -15.868 191 HD12 LEU 25 HD12 LEU 25 6.651 8.896 -15.301 192 HD13 LEU 25 HD13 LEU 25 7.184 8.750 -16.969 193 HD21 LEU 25 HD21 LEU 25 7.553 6.376 -17.085 194 HD22 LEU 25 HD22 LEU 25 6.625 6.384 -15.577 195 HD23 LEU 25 HD23 LEU 25 8.150 5.500 -15.644 196 H GLN 26 H GLN 26 8.217 7.588 -19.162 197 HA GLN 26 HA GLN 26 8.379 10.491 -19.528 198 HB2 GLN 26 HB2 GLN 26 8.578 8.377 -21.713 199 HB3 GLN 26 HB3 GLN 26 7.727 9.874 -22.000 200 HG2 GLN 26 HG2 GLN 26 9.596 10.887 -22.519 201 HG3 GLN 26 HG3 GLN 26 10.112 10.792 -20.838 202 HE21 GLN 26 HE21 GLN 26 10.497 7.707 -21.072 203 HE22 GLN 26 HE22 GLN 26 11.967 7.676 -21.997 204 H TYR 27 H TYR 27 6.296 11.184 -20.638 205 HA TYR 27 HA TYR 27 4.019 9.448 -20.017 206 HB2 TYR 27 HB2 TYR 27 3.017 11.774 -19.086 207 HB3 TYR 27 HB3 TYR 27 3.738 10.607 -18.020 208 HD1 TYR 27 HD1 TYR 27 5.927 10.994 -17.005 209 HD2 TYR 27 HD2 TYR 27 4.309 13.822 -19.824 210 HE1 TYR 27 HE1 TYR 27 7.760 12.561 -16.487 211 HE2 TYR 27 HE2 TYR 27 6.052 15.457 -19.199 212 HH TYR 27 HH TYR 27 8.290 15.472 -18.301 213 H GLU 28 H GLU 28 2.160 10.127 -21.100 214 HA GLU 28 HA GLU 28 2.432 12.296 -22.993 215 HB2 GLU 28 HB2 GLU 28 3.276 10.200 -24.193 216 HB3 GLU 28 HB3 GLU 28 1.657 9.503 -23.972 217 HG2 GLU 28 HG2 GLU 28 1.826 10.547 -26.175 218 HG3 GLU 28 HG3 GLU 28 0.664 11.407 -25.139 219 H THR 29 H THR 29 0.616 13.425 -22.935 220 HA THR 29 HA THR 29 -1.927 12.150 -22.097 221 HB THR 29 HB THR 29 -0.792 13.267 -20.207 222 HG1 THR 29 HG1 THR 29 -3.108 13.308 -20.434 223 HG21 THR 29 HG21 THR 29 0.464 15.013 -21.377 224 HG22 THR 29 HG22 THR 29 -0.522 15.671 -20.070 225 HG23 THR 29 HG23 THR 29 -1.042 15.877 -21.752 226 H SER 30 H SER 30 -3.581 14.113 -22.363 227 HA SER 30 HA SER 30 -3.286 15.362 -25.009 228 HB2 SER 30 HB2 SER 30 -4.691 13.232 -25.104 229 HB3 SER 30 HB3 SER 30 -5.873 14.101 -24.099 230 HG SER 30 HG SER 30 -5.655 15.811 -25.772 231 H ARG 31 H ARG 31 -3.188 15.903 -21.896 232 HA ARG 31 HA ARG 31 -5.303 17.752 -21.273 233 HB2 ARG 31 HB2 ARG 31 -2.631 16.837 -20.104 234 HB3 ARG 31 HB3 ARG 31 -3.436 18.212 -19.423 235 HG2 ARG 31 HG2 ARG 31 -5.439 16.901 -18.876 236 HG3 ARG 31 HG3 ARG 31 -4.770 15.502 -19.711 237 HD2 ARG 31 HD2 ARG 31 -4.133 14.881 -17.690 238 HD3 ARG 31 HD3 ARG 31 -2.716 15.891 -17.996 239 HE ARG 31 HE ARG 31 -4.274 17.732 -16.829 240 HH11 ARG 31 HH11 ARG 31 -3.778 14.381 -15.776 241 HH12 ARG 31 HH12 ARG 31 -4.296 14.689 -14.147 242 HH21 ARG 31 HH21 ARG 31 -4.933 18.107 -14.739 243 HH22 ARG 31 HH22 ARG 31 -5.194 16.823 -13.598 244 H ASP 32 H ASP 32 -4.828 20.014 -20.799 245 HA ASP 32 HA ASP 32 -3.586 21.379 -23.012 246 HB2 ASP 32 HB2 ASP 32 -5.577 22.155 -21.714 247 HB3 ASP 32 HB3 ASP 32 -4.559 22.368 -20.288 248 H ASN 33 H ASN 33 -2.696 20.486 -19.755 249 HA ASN 33 HA ASN 33 0.117 20.632 -20.039 250 HB2 ASN 33 HB2 ASN 33 0.512 22.275 -18.181 251 HB3 ASN 33 HB3 ASN 33 -0.023 22.986 -19.694 252 HD21 ASN 33 HD21 ASN 33 -2.240 21.524 -17.147 253 HD22 ASN 33 HD22 ASN 33 -2.953 23.077 -16.788 254 H ILE 34 H ILE 34 1.092 19.649 -18.033 255 HA ILE 34 HA ILE 34 -0.897 18.016 -16.579 256 HB ILE 34 HB ILE 34 0.894 16.903 -17.882 257 HG12 ILE 34 HG12 ILE 34 1.885 15.476 -15.917 258 HG13 ILE 34 HG13 ILE 34 0.888 16.456 -14.862 259 HG21 ILE 34 HG21 ILE 34 3.207 16.945 -17.240 260 HG22 ILE 34 HG22 ILE 34 2.689 18.597 -17.561 261 HG23 ILE 34 HG23 ILE 34 2.871 18.048 -15.891 262 HD11 ILE 34 HD11 ILE 34 -0.209 14.316 -15.605 263 HD12 ILE 34 HD12 ILE 34 -1.158 15.728 -16.117 264 HD13 ILE 34 HD13 ILE 34 -0.155 14.877 -17.285 265 HA PRO 35 HA PRO 35 0.010 20.644 -13.067 266 HB2 PRO 35 HB2 PRO 35 -0.872 18.965 -11.042 267 HB3 PRO 35 HB3 PRO 35 -1.979 19.983 -12.012 268 HG2 PRO 35 HG2 PRO 35 -1.307 17.115 -12.175 269 HG3 PRO 35 HG3 PRO 35 -2.897 17.874 -12.482 270 HD2 PRO 35 HD2 PRO 35 -1.145 16.976 -14.398 271 HD3 PRO 35 HD3 PRO 35 -2.268 18.334 -14.712 272 H GLU 36 H GLU 36 1.687 20.765 -11.514 273 HA GLU 36 HA GLU 36 3.921 19.075 -11.871 274 HB2 GLU 36 HB2 GLU 36 4.734 20.223 -9.766 275 HB3 GLU 36 HB3 GLU 36 4.310 21.241 -11.174 276 HG2 GLU 36 HG2 GLU 36 2.191 21.890 -10.143 277 HG3 GLU 36 HG3 GLU 36 2.447 20.777 -8.810 278 H GLU 37 H GLU 37 1.349 19.001 -9.464 279 HA GLU 37 HA GLU 37 2.524 17.292 -7.556 280 HB2 GLU 37 HB2 GLU 37 0.052 16.737 -7.036 281 HB3 GLU 37 HB3 GLU 37 0.627 18.394 -6.832 282 HG2 GLU 37 HG2 GLU 37 -0.304 19.067 -8.973 283 HG3 GLU 37 HG3 GLU 37 -0.858 17.422 -9.298 284 H LEU 38 H LEU 38 0.771 16.550 -10.585 285 HA LEU 38 HA LEU 38 0.685 13.693 -10.302 286 HB2 LEU 38 HB2 LEU 38 0.517 15.669 -12.551 287 HB3 LEU 38 HB3 LEU 38 0.782 14.027 -12.987 288 HG LEU 38 HG LEU 38 -1.617 15.019 -12.970 289 HD11 LEU 38 HD11 LEU 38 -1.324 12.321 -11.677 290 HD12 LEU 38 HD12 LEU 38 -0.945 12.618 -13.396 291 HD13 LEU 38 HD13 LEU 38 -2.573 12.867 -12.815 292 HD21 LEU 38 HD21 LEU 38 -1.471 15.778 -10.528 293 HD22 LEU 38 HD22 LEU 38 -1.470 14.089 -10.055 294 HD23 LEU 38 HD23 LEU 38 -2.882 14.777 -10.898 295 H LEU 39 H LEU 39 2.899 15.936 -11.983 296 HA LEU 39 HA LEU 39 4.715 13.964 -12.909 297 HB2 LEU 39 HB2 LEU 39 5.215 16.882 -12.158 298 HB3 LEU 39 HB3 LEU 39 6.420 15.848 -12.902 299 HG LEU 39 HG LEU 39 3.772 16.661 -14.162 300 HD11 LEU 39 HD11 LEU 39 6.667 17.423 -14.782 301 HD12 LEU 39 HD12 LEU 39 5.451 18.476 -14.026 302 HD13 LEU 39 HD13 LEU 39 5.247 17.946 -15.701 303 HD21 LEU 39 HD21 LEU 39 4.327 14.454 -15.010 304 HD22 LEU 39 HD22 LEU 39 6.042 14.901 -15.191 305 HD23 LEU 39 HD23 LEU 39 4.810 15.621 -16.239 306 H ASN 40 H ASN 40 4.740 15.843 -9.898 307 HA ASN 40 HA ASN 40 7.108 14.824 -8.772 308 HB2 ASN 40 HB2 ASN 40 4.634 16.186 -7.744 309 HB3 ASN 40 HB3 ASN 40 5.634 15.332 -6.562 310 HD21 ASN 40 HD21 ASN 40 5.509 17.931 -8.895 311 HD22 ASN 40 HD22 ASN 40 6.880 18.829 -8.298 312 H GLU 41 H GLU 41 3.800 13.544 -8.587 313 HA GLU 41 HA GLU 41 4.411 11.441 -6.768 314 HB2 GLU 41 HB2 GLU 41 2.109 12.443 -8.237 315 HB3 GLU 41 HB3 GLU 41 2.227 10.727 -8.546 316 HG2 GLU 41 HG2 GLU 41 0.791 10.972 -6.701 317 HG3 GLU 41 HG3 GLU 41 2.293 10.294 -6.085 318 H TRP 42 H TRP 42 4.038 11.481 -10.317 319 HA TRP 42 HA TRP 42 4.838 8.756 -10.675 320 HB2 TRP 42 HB2 TRP 42 5.222 11.026 -12.643 321 HB3 TRP 42 HB3 TRP 42 5.108 9.311 -12.996 322 HD1 TRP 42 HD1 TRP 42 3.328 11.395 -14.422 323 HE1 TRP 42 HE1 TRP 42 0.780 11.300 -14.291 324 HE3 TRP 42 HE3 TRP 42 2.745 8.740 -10.018 325 HZ2 TRP 42 HZ2 TRP 42 -1.237 10.236 -12.549 326 HZ3 TRP 42 HZ3 TRP 42 0.494 8.283 -9.165 327 HH2 TRP 42 HH2 TRP 42 -1.511 8.915 -10.497 328 H LYS 43 H LYS 43 6.796 11.749 -10.385 329 HA LYS 43 HA LYS 43 9.293 10.625 -11.241 330 HB2 LYS 43 HB2 LYS 43 8.393 13.050 -9.680 331 HB3 LYS 43 HB3 LYS 43 10.119 12.663 -9.871 332 HG2 LYS 43 HG2 LYS 43 9.959 12.715 -12.259 333 HG3 LYS 43 HG3 LYS 43 8.225 12.728 -12.251 334 HD2 LYS 43 HD2 LYS 43 8.566 14.907 -12.711 335 HD3 LYS 43 HD3 LYS 43 8.453 15.014 -10.957 336 HE2 LYS 43 HE2 LYS 43 11.042 14.837 -12.590 337 HE3 LYS 43 HE3 LYS 43 10.304 16.333 -12.019 338 HZ1 LYS 43 HZ1 LYS 43 11.437 14.226 -10.286 339 HZ2 LYS 43 HZ2 LYS 43 10.579 15.533 -9.754 340 HZ3 LYS 43 HZ3 LYS 43 11.999 15.737 -10.543 341 H TYR 44 H TYR 44 7.528 10.650 -8.177 342 HA TYR 44 HA TYR 44 9.735 9.843 -6.570 343 HB2 TYR 44 HB2 TYR 44 7.395 10.594 -5.852 344 HB3 TYR 44 HB3 TYR 44 6.907 8.923 -6.094 345 HD1 TYR 44 HD1 TYR 44 7.950 11.231 -3.694 346 HD2 TYR 44 HD2 TYR 44 8.583 7.114 -4.849 347 HE1 TYR 44 HE1 TYR 44 8.683 10.691 -1.408 348 HE2 TYR 44 HE2 TYR 44 9.334 6.592 -2.578 349 HH TYR 44 HH TYR 44 9.719 7.371 -0.462 350 H TYR 45 H TYR 45 7.179 7.729 -8.085 351 HA TYR 45 HA TYR 45 8.843 5.356 -7.704 352 HB2 TYR 45 HB2 TYR 45 5.920 5.782 -8.419 353 HB3 TYR 45 HB3 TYR 45 6.686 4.217 -8.406 354 HD1 TYR 45 HD1 TYR 45 7.588 3.171 -6.399 355 HD2 TYR 45 HD2 TYR 45 5.480 6.929 -6.177 356 HE1 TYR 45 HE1 TYR 45 7.606 3.029 -3.954 357 HE2 TYR 45 HE2 TYR 45 5.510 6.804 -3.716 358 HH TYR 45 HH TYR 45 6.421 5.702 -1.866 359 H ARG 46 H ARG 46 9.521 7.449 -9.914 360 HA ARG 46 HA ARG 46 8.727 6.545 -12.389 361 HB2 ARG 46 HB2 ARG 46 10.371 7.774 -13.330 362 HB3 ARG 46 HB3 ARG 46 10.208 8.580 -11.796 363 HG2 ARG 46 HG2 ARG 46 12.371 6.511 -12.419 364 HG3 ARG 46 HG3 ARG 46 12.550 8.239 -12.707 365 HD2 ARG 46 HD2 ARG 46 12.392 8.850 -10.521 366 HD3 ARG 46 HD3 ARG 46 11.677 7.330 -9.984 367 HE ARG 46 HE ARG 46 14.261 6.743 -10.963 368 HH11 ARG 46 HH11 ARG 46 12.573 8.112 -8.083 369 HH12 ARG 46 HH12 ARG 46 13.793 7.596 -7.024 370 HH21 ARG 46 HH21 ARG 46 16.005 6.325 -9.484 371 HH22 ARG 46 HH22 ARG 46 15.727 6.540 -7.797 372 H GLN 47 H GLN 47 11.350 5.144 -10.341 373 HA GLN 47 HA GLN 47 12.220 3.323 -12.353 374 HB2 GLN 47 HB2 GLN 47 13.540 4.062 -10.314 375 HB3 GLN 47 HB3 GLN 47 12.476 3.062 -9.318 376 HG2 GLN 47 HG2 GLN 47 14.562 1.878 -9.830 377 HG3 GLN 47 HG3 GLN 47 13.200 1.032 -10.556 378 HE21 GLN 47 HE21 GLN 47 13.421 0.528 -12.798 379 HE22 GLN 47 HE22 GLN 47 14.523 1.328 -13.868 380 H ASP 48 H ASP 48 9.809 3.072 -9.661 381 HA ASP 48 HA ASP 48 9.422 0.249 -10.061 382 HB2 ASP 48 HB2 ASP 48 8.597 1.870 -8.107 383 HB3 ASP 48 HB3 ASP 48 7.180 2.042 -9.116 384 H LEU 49 H LEU 49 7.951 3.163 -11.355 385 HA LEU 49 HA LEU 49 5.898 1.980 -12.898 386 HB2 LEU 49 HB2 LEU 49 7.311 4.638 -12.950 387 HB3 LEU 49 HB3 LEU 49 6.387 4.147 -14.350 388 HG LEU 49 HG LEU 49 4.677 3.577 -12.126 389 HD11 LEU 49 HD11 LEU 49 4.428 6.014 -11.330 390 HD12 LEU 49 HD12 LEU 49 6.076 6.278 -11.913 391 HD13 LEU 49 HD13 LEU 49 5.744 5.062 -10.646 392 HD21 LEU 49 HD21 LEU 49 4.603 5.775 -14.145 393 HD22 LEU 49 HD22 LEU 49 3.234 5.166 -13.153 394 HD23 LEU 49 HD23 LEU 49 4.006 4.093 -14.327 395 H ILE 50 H ILE 50 9.081 3.237 -14.016 396 HA ILE 50 HA ILE 50 9.033 2.373 -16.605 397 HB ILE 50 HB ILE 50 11.292 2.454 -14.530 398 HG12 ILE 50 HG12 ILE 50 11.231 4.193 -16.993 399 HG13 ILE 50 HG13 ILE 50 10.143 4.565 -15.676 400 HG21 ILE 50 HG21 ILE 50 12.135 0.794 -16.058 401 HG22 ILE 50 HG22 ILE 50 11.680 1.766 -17.456 402 HG23 ILE 50 HG23 ILE 50 12.994 2.286 -16.393 403 HD11 ILE 50 HD11 ILE 50 12.279 5.808 -15.475 404 HD12 ILE 50 HD12 ILE 50 12.097 4.728 -14.113 405 HD13 ILE 50 HD13 ILE 50 13.185 4.297 -15.442 406 H ASP 51 H ASP 51 9.848 0.330 -13.757 407 HA ASP 51 HA ASP 51 10.734 -1.897 -15.037 408 HB2 ASP 51 HB2 ASP 51 10.015 -1.266 -12.457 409 HB3 ASP 51 HB3 ASP 51 8.720 -2.391 -12.841 410 H PHE 52 H PHE 52 7.323 -1.178 -14.351 411 HA PHE 52 HA PHE 52 6.284 -3.403 -15.849 412 HB2 PHE 52 HB2 PHE 52 5.305 -2.126 -13.868 413 HB3 PHE 52 HB3 PHE 52 4.931 -0.808 -14.949 414 HD1 PHE 52 HD1 PHE 52 4.498 -4.579 -15.063 415 HD2 PHE 52 HD2 PHE 52 2.599 -0.699 -15.292 416 HE1 PHE 52 HE1 PHE 52 2.333 -5.662 -15.383 417 HE2 PHE 52 HE2 PHE 52 0.413 -1.807 -15.662 418 HZ PHE 52 HZ PHE 52 0.245 -4.260 -15.675 419 H LEU 53 H LEU 53 7.014 -0.025 -16.602 420 HA LEU 53 HA LEU 53 5.549 0.250 -19.034 421 HB2 LEU 53 HB2 LEU 53 8.120 1.601 -18.282 422 HB3 LEU 53 HB3 LEU 53 7.072 2.086 -19.597 423 HG LEU 53 HG LEU 53 6.433 2.159 -16.654 424 HD11 LEU 53 HD11 LEU 53 6.514 4.307 -18.703 425 HD12 LEU 53 HD12 LEU 53 7.716 4.010 -17.413 426 HD13 LEU 53 HD13 LEU 53 6.059 4.481 -16.996 427 HD21 LEU 53 HD21 LEU 53 4.267 3.127 -17.318 428 HD22 LEU 53 HD22 LEU 53 4.454 1.400 -17.629 429 HD23 LEU 53 HD23 LEU 53 4.606 2.551 -18.984 430 H GLN 54 H GLN 54 8.870 -0.853 -18.478 431 HA GLN 54 HA GLN 54 9.717 -1.034 -21.154 432 HB2 GLN 54 HB2 GLN 54 10.350 -2.909 -18.849 433 HB3 GLN 54 HB3 GLN 54 11.335 -2.699 -20.287 434 HG2 GLN 54 HG2 GLN 54 10.953 -0.113 -19.022 435 HG3 GLN 54 HG3 GLN 54 11.331 -1.266 -17.767 436 HE21 GLN 54 HE21 GLN 54 12.900 1.029 -18.825 437 HE22 GLN 54 HE22 GLN 54 14.398 0.391 -19.503 438 H GLN 55 H GLN 55 7.994 -3.373 -19.094 439 HA GLN 55 HA GLN 55 7.727 -5.407 -21.095 440 HB2 GLN 55 HB2 GLN 55 5.903 -5.144 -18.684 441 HB3 GLN 55 HB3 GLN 55 6.450 -6.588 -19.541 442 HG2 GLN 55 HG2 GLN 55 8.841 -5.897 -18.704 443 HG3 GLN 55 HG3 GLN 55 7.958 -4.868 -17.584 444 HE21 GLN 55 HE21 GLN 55 9.050 -8.074 -18.208 445 HE22 GLN 55 HE22 GLN 55 8.164 -8.871 -16.890 446 H LEU 56 H LEU 56 5.587 -2.754 -20.022 447 HA LEU 56 HA LEU 56 3.204 -3.421 -21.332 448 HB2 LEU 56 HB2 LEU 56 4.394 -1.079 -20.109 449 HB3 LEU 56 HB3 LEU 56 3.586 -0.603 -21.584 450 HG LEU 56 HG LEU 56 1.548 -1.971 -20.701 451 HD11 LEU 56 HD11 LEU 56 1.413 -2.101 -18.220 452 HD12 LEU 56 HD12 LEU 56 3.093 -1.556 -18.093 453 HD13 LEU 56 HD13 LEU 56 2.730 -3.129 -18.825 454 HD21 LEU 56 HD21 LEU 56 0.799 -0.022 -19.369 455 HD22 LEU 56 HD22 LEU 56 1.594 0.462 -20.875 456 HD23 LEU 56 HD23 LEU 56 2.469 0.587 -19.334 457 H ASP 57 H ASP 57 6.161 -1.987 -22.678 458 HA ASP 57 HA ASP 57 4.856 -1.694 -25.343 459 HB2 ASP 57 HB2 ASP 57 6.234 0.125 -24.328 460 HB3 ASP 57 HB3 ASP 57 7.670 -0.883 -24.575 461 H ALA 58 H ALA 58 6.998 -3.774 -23.565 462 HA ALA 58 HA ALA 58 8.252 -5.578 -24.038 463 HB1 ALA 58 HB1 ALA 58 7.137 -7.270 -25.385 464 HB2 ALA 58 HB2 ALA 58 5.936 -6.382 -24.422 465 HB3 ALA 58 HB3 ALA 58 6.115 -6.020 -26.149 466 H LYS 59 H LYS 59 9.232 -3.266 -25.213 467 HA LYS 59 HA LYS 59 10.910 -4.291 -27.382 468 HB2 LYS 59 HB2 LYS 59 8.792 -3.339 -28.389 469 HB3 LYS 59 HB3 LYS 59 9.163 -1.807 -27.609 470 HG2 LYS 59 HG2 LYS 59 11.189 -1.576 -29.059 471 HG3 LYS 59 HG3 LYS 59 10.872 -3.188 -29.735 472 HD2 LYS 59 HD2 LYS 59 9.991 -1.572 -31.295 473 HD3 LYS 59 HD3 LYS 59 8.614 -2.332 -30.483 474 HE2 LYS 59 HE2 LYS 59 8.732 -0.333 -28.820 475 HE3 LYS 59 HE3 LYS 59 9.809 0.423 -29.994 476 HZ1 LYS 59 HZ1 LYS 59 7.008 -0.420 -30.403 477 HZ2 LYS 59 HZ2 LYS 59 7.965 0.159 -31.620 478 HZ3 LYS 59 HZ3 LYS 59 7.553 1.092 -30.297 479 H GLU 60 H GLU 60 12.644 -2.517 -27.802 480 HA GLU 60 HA GLU 60 13.175 -0.677 -25.580 481 HB2 GLU 60 HB2 GLU 60 14.261 -2.843 -25.029 482 HB3 GLU 60 HB3 GLU 60 15.006 -2.898 -26.637 483 HG2 GLU 60 HG2 GLU 60 16.258 -0.811 -26.079 484 HG3 GLU 60 HG3 GLU 60 15.525 -0.830 -24.473 485 H GLU 61 H GLU 61 14.421 1.136 -26.421 486 HA GLU 61 HA GLU 61 15.205 1.065 -29.262 487 HB2 GLU 61 HB2 GLU 61 13.188 3.038 -28.100 488 HB3 GLU 61 HB3 GLU 61 14.072 3.276 -29.617 489 HG2 GLU 61 HG2 GLU 61 13.163 0.960 -30.308 490 HG3 GLU 61 HG3 GLU 61 12.037 1.115 -28.960 491 H THR 62 H THR 62 17.346 1.121 -28.613 492 HA THR 62 HA THR 62 18.362 3.102 -26.748 493 HB THR 62 HB THR 62 20.582 2.310 -27.645 494 HG1 THR 62 HG1 THR 62 19.612 1.667 -29.710 495 HG21 THR 62 HG21 THR 62 20.444 0.066 -26.655 496 HG22 THR 62 HG22 THR 62 18.673 0.092 -26.775 497 HG23 THR 62 HG23 THR 62 19.508 1.221 -25.692 498 H GLN 63 H GLN 63 18.278 5.226 -27.260 499 HA GLN 63 HA GLN 63 18.898 6.126 -30.022 500 HB2 GLN 63 HB2 GLN 63 16.992 7.665 -29.854 501 HB3 GLN 63 HB3 GLN 63 16.488 5.973 -29.761 502 HG2 GLN 63 HG2 GLN 63 16.536 6.356 -27.140 503 HG3 GLN 63 HG3 GLN 63 16.545 8.062 -27.574 504 HE21 GLN 63 HE21 GLN 63 14.724 5.046 -27.618 505 HE22 GLN 63 HE22 GLN 63 13.156 5.736 -27.993 Start of MODEL 8 1 H1 MET 1 H MET 1 1.394 -2.699 -1.826 2 HA MET 1 HA MET 1 2.409 0.026 -1.312 3 HB2 MET 1 HB2 MET 1 3.830 -2.323 -2.625 4 HB3 MET 1 HB3 MET 1 4.353 -0.639 -2.783 5 HG2 MET 1 HG2 MET 1 5.621 -1.627 -1.031 6 HG3 MET 1 HG3 MET 1 4.531 -0.442 -0.326 7 HE1 MET 1 HE1 MET 1 6.160 -2.379 1.435 8 HE2 MET 1 HE2 MET 1 4.937 -1.291 2.124 9 HE3 MET 1 HE3 MET 1 4.959 -3.015 2.571 10 H LYS 2 H LYS 2 2.438 1.479 -3.280 11 HA LYS 2 HA LYS 2 0.326 0.592 -5.082 12 HB2 LYS 2 HB2 LYS 2 0.450 2.941 -4.218 13 HB3 LYS 2 HB3 LYS 2 1.820 3.176 -5.339 14 HG2 LYS 2 HG2 LYS 2 0.380 2.348 -7.202 15 HG3 LYS 2 HG3 LYS 2 -0.994 2.237 -6.097 16 HD2 LYS 2 HD2 LYS 2 -0.603 4.742 -5.631 17 HD3 LYS 2 HD3 LYS 2 0.619 4.712 -6.897 18 HE2 LYS 2 HE2 LYS 2 -1.216 5.406 -8.113 19 HE3 LYS 2 HE3 LYS 2 -1.290 3.634 -8.330 20 HZ1 LYS 2 HZ1 LYS 2 -2.949 3.543 -6.593 21 HZ2 LYS 2 HZ2 LYS 2 -3.438 4.554 -7.744 22 HZ3 LYS 2 HZ3 LYS 2 -2.851 5.193 -6.358 23 H ASN 3 H ASN 3 1.135 -1.049 -6.284 24 HA ASN 3 HA ASN 3 3.709 -1.156 -7.542 25 HB2 ASN 3 HB2 ASN 3 1.595 -2.548 -9.030 26 HB3 ASN 3 HB3 ASN 3 3.096 -3.166 -8.380 27 HD21 ASN 3 HD21 ASN 3 0.008 -3.935 -8.354 28 HD22 ASN 3 HD22 ASN 3 -0.265 -4.365 -6.694 29 H ALA 4 H ALA 4 4.182 -0.868 -9.830 30 HA ALA 4 HA ALA 4 3.700 1.462 -11.054 31 HB1 ALA 4 HB1 ALA 4 5.432 -0.094 -11.725 32 HB2 ALA 4 HB2 ALA 4 4.229 -1.234 -12.342 33 HB3 ALA 4 HB3 ALA 4 4.456 0.335 -13.136 34 H ALA 5 H ALA 5 1.923 -1.540 -11.674 35 HA ALA 5 HA ALA 5 0.314 -0.754 -13.704 36 HB1 ALA 5 HB1 ALA 5 -0.317 -2.603 -11.357 37 HB2 ALA 5 HB2 ALA 5 -1.270 -2.523 -12.847 38 HB3 ALA 5 HB3 ALA 5 0.426 -3.059 -12.912 39 H GLN 6 H GLN 6 -0.329 -0.264 -10.218 40 HA GLN 6 HA GLN 6 -2.948 0.911 -10.530 41 HB2 GLN 6 HB2 GLN 6 -0.861 0.905 -8.310 42 HB3 GLN 6 HB3 GLN 6 -2.399 1.736 -8.157 43 HG2 GLN 6 HG2 GLN 6 -3.641 -0.277 -8.331 44 HG3 GLN 6 HG3 GLN 6 -2.206 -1.236 -8.724 45 HE21 GLN 6 HE21 GLN 6 -0.473 -1.206 -7.062 46 HE22 GLN 6 HE22 GLN 6 -0.892 -1.117 -5.349 47 H ILE 7 H ILE 7 0.401 2.175 -10.426 48 HA ILE 7 HA ILE 7 -0.329 4.925 -10.088 49 HB ILE 7 HB ILE 7 2.188 4.006 -11.520 50 HG12 ILE 7 HG12 ILE 7 1.480 3.656 -8.642 51 HG13 ILE 7 HG13 ILE 7 2.293 2.581 -9.746 52 HG21 ILE 7 HG21 ILE 7 1.577 6.474 -11.349 53 HG22 ILE 7 HG22 ILE 7 1.636 6.332 -9.589 54 HG23 ILE 7 HG23 ILE 7 3.096 6.084 -10.550 55 HD11 ILE 7 HD11 ILE 7 3.504 4.999 -8.400 56 HD12 ILE 7 HD12 ILE 7 3.890 3.295 -8.130 57 HD13 ILE 7 HD13 ILE 7 4.309 4.040 -9.685 58 H VAL 8 H VAL 8 0.339 2.897 -12.990 59 HA VAL 8 HA VAL 8 -0.247 5.059 -14.777 60 HB VAL 8 HB VAL 8 -0.318 2.100 -15.419 61 HG11 VAL 8 HG11 VAL 8 0.094 2.767 -17.727 62 HG12 VAL 8 HG12 VAL 8 -1.405 3.485 -17.145 63 HG13 VAL 8 HG13 VAL 8 0.052 4.483 -17.266 64 HG21 VAL 8 HG21 VAL 8 1.983 2.521 -16.315 65 HG22 VAL 8 HG22 VAL 8 1.951 4.039 -15.378 66 HG23 VAL 8 HG23 VAL 8 1.809 2.473 -14.567 67 H ASP 9 H ASP 9 -2.322 2.574 -13.373 68 HA ASP 9 HA ASP 9 -4.704 3.224 -14.882 69 HB2 ASP 9 HB2 ASP 9 -4.165 1.832 -12.266 70 HB3 ASP 9 HB3 ASP 9 -5.782 2.440 -12.552 71 H GLU 10 H GLU 10 -3.570 4.506 -11.752 72 HA GLU 10 HA GLU 10 -5.738 6.337 -11.517 73 HB2 GLU 10 HB2 GLU 10 -3.177 5.825 -10.108 74 HB3 GLU 10 HB3 GLU 10 -3.524 7.538 -10.234 75 HG2 GLU 10 HG2 GLU 10 -4.490 6.757 -8.207 76 HG3 GLU 10 HG3 GLU 10 -5.783 7.203 -9.307 77 H ALA 11 H ALA 11 -2.611 6.657 -13.234 78 HA ALA 11 HA ALA 11 -2.965 9.492 -13.688 79 HB1 ALA 11 HB1 ALA 11 -0.771 8.151 -13.771 80 HB2 ALA 11 HB2 ALA 11 -1.293 7.605 -15.378 81 HB3 ALA 11 HB3 ALA 11 -1.007 9.329 -15.057 82 H LEU 12 H LEU 12 -3.640 6.540 -15.593 83 HA LEU 12 HA LEU 12 -4.491 7.692 -17.982 84 HB2 LEU 12 HB2 LEU 12 -4.131 5.336 -17.847 85 HB3 LEU 12 HB3 LEU 12 -5.260 5.168 -16.498 86 HG LEU 12 HG LEU 12 -7.149 5.779 -17.958 87 HD11 LEU 12 HD11 LEU 12 -5.908 7.064 -19.738 88 HD12 LEU 12 HD12 LEU 12 -6.831 5.746 -20.437 89 HD13 LEU 12 HD13 LEU 12 -5.079 5.578 -20.226 90 HD21 LEU 12 HD21 LEU 12 -7.197 3.630 -19.182 91 HD22 LEU 12 HD22 LEU 12 -6.609 3.443 -17.518 92 HD23 LEU 12 HD23 LEU 12 -5.480 3.432 -18.883 93 H ASN 13 H ASN 13 -6.260 7.177 -14.988 94 HA ASN 13 HA ASN 13 -8.892 7.756 -15.762 95 HB2 ASN 13 HB2 ASN 13 -7.789 7.054 -13.453 96 HB3 ASN 13 HB3 ASN 13 -7.750 8.795 -13.158 97 HD21 ASN 13 HD21 ASN 13 -9.648 5.972 -12.898 98 HD22 ASN 13 HD22 ASN 13 -11.175 6.773 -12.574 99 H GLN 14 H GLN 14 -6.204 9.980 -15.069 100 HA GLN 14 HA GLN 14 -7.844 12.374 -15.434 101 HB2 GLN 14 HB2 GLN 14 -4.847 12.323 -15.138 102 HB3 GLN 14 HB3 GLN 14 -6.032 13.555 -14.664 103 HG2 GLN 14 HG2 GLN 14 -6.796 11.656 -12.970 104 HG3 GLN 14 HG3 GLN 14 -5.233 10.951 -13.341 105 HE21 GLN 14 HE21 GLN 14 -4.859 11.302 -10.966 106 HE22 GLN 14 HE22 GLN 14 -4.007 12.774 -10.561 107 H GLY 15 H GLY 15 -6.626 10.256 -17.609 108 HA2 GLY 15 HA2 GLY 15 -6.391 10.418 -19.882 109 HA3 GLY 15 HA3 GLY 15 -6.525 12.171 -19.780 110 H ILE 16 H ILE 16 -4.021 10.199 -18.003 111 HA ILE 16 HA ILE 16 -2.000 11.164 -19.891 112 HB ILE 16 HB ILE 16 -1.857 12.836 -18.281 113 HG12 ILE 16 HG12 ILE 16 0.238 11.521 -18.944 114 HG13 ILE 16 HG13 ILE 16 0.327 12.776 -17.744 115 HG21 ILE 16 HG21 ILE 16 -1.629 12.598 -15.881 116 HG22 ILE 16 HG22 ILE 16 -3.233 12.128 -16.494 117 HG23 ILE 16 HG23 ILE 16 -2.067 10.885 -16.038 118 HD11 ILE 16 HD11 ILE 16 1.687 10.974 -17.061 119 HD12 ILE 16 HD12 ILE 16 0.316 11.090 -15.949 120 HD13 ILE 16 HD13 ILE 16 0.340 9.819 -17.193 121 H THR 17 H THR 17 -0.777 9.535 -20.534 122 HA THR 17 HA THR 17 -0.810 7.039 -18.873 123 HB THR 17 HB THR 17 -0.151 7.354 -21.834 124 HG1 THR 17 HG1 THR 17 -2.212 6.637 -22.213 125 HG21 THR 17 HG21 THR 17 0.737 5.262 -20.936 126 HG22 THR 17 HG22 THR 17 -0.701 4.894 -21.856 127 HG23 THR 17 HG23 THR 17 -0.799 4.923 -20.092 128 H LEU 18 H LEU 18 1.189 5.817 -18.825 129 HA LEU 18 HA LEU 18 3.590 7.559 -18.763 130 HB2 LEU 18 HB2 LEU 18 2.932 5.154 -16.932 131 HB3 LEU 18 HB3 LEU 18 4.424 6.089 -17.017 132 HG LEU 18 HG LEU 18 3.296 6.768 -15.123 133 HD11 LEU 18 HD11 LEU 18 2.762 8.986 -17.083 134 HD12 LEU 18 HD12 LEU 18 4.396 8.587 -16.514 135 HD13 LEU 18 HD13 LEU 18 3.146 9.138 -15.371 136 HD21 LEU 18 HD21 LEU 18 1.007 6.096 -15.980 137 HD22 LEU 18 HD22 LEU 18 0.872 7.722 -16.617 138 HD23 LEU 18 HD23 LEU 18 1.135 7.476 -14.875 139 H PHE 19 H PHE 19 5.172 6.906 -20.119 140 HA PHE 19 HA PHE 19 5.217 4.105 -21.144 141 HB2 PHE 19 HB2 PHE 19 5.389 6.628 -22.827 142 HB3 PHE 19 HB3 PHE 19 5.789 5.007 -23.381 143 HD1 PHE 19 HD1 PHE 19 3.290 7.361 -23.641 144 HD2 PHE 19 HD2 PHE 19 3.818 3.168 -22.736 145 HE1 PHE 19 HE1 PHE 19 0.975 6.879 -24.431 146 HE2 PHE 19 HE2 PHE 19 1.507 2.723 -23.474 147 HZ PHE 19 HZ PHE 19 0.094 4.558 -24.349 148 H VAL 20 H VAL 20 7.458 3.656 -22.230 149 HA VAL 20 HA VAL 20 9.584 5.123 -20.737 150 HB VAL 20 HB VAL 20 9.014 2.199 -20.969 151 HG11 VAL 20 HG11 VAL 20 11.293 1.448 -21.021 152 HG12 VAL 20 HG12 VAL 20 10.978 2.285 -22.530 153 HG13 VAL 20 HG13 VAL 20 11.930 3.087 -21.253 154 HG21 VAL 20 HG21 VAL 20 10.907 3.690 -19.165 155 HG22 VAL 20 HG22 VAL 20 9.156 3.613 -18.885 156 HG23 VAL 20 HG23 VAL 20 10.109 2.119 -18.920 157 H ALA 21 H ALA 21 11.441 5.736 -21.834 158 HA ALA 21 HA ALA 21 12.038 5.003 -24.543 159 HB1 ALA 21 HB1 ALA 21 11.012 7.822 -23.978 160 HB2 ALA 21 HB2 ALA 21 11.920 7.327 -25.406 161 HB3 ALA 21 HB3 ALA 21 10.316 6.659 -25.118 162 H ASP 22 H ASP 22 14.161 5.685 -24.937 163 HA ASP 22 HA ASP 22 16.322 6.063 -24.318 164 HB2 ASP 22 HB2 ASP 22 14.939 8.382 -24.230 165 HB3 ASP 22 HB3 ASP 22 15.441 8.363 -22.567 166 H ASN 23 H ASN 23 14.946 4.170 -22.629 167 HA ASN 23 HA ASN 23 15.086 3.083 -20.696 168 HB2 ASN 23 HB2 ASN 23 17.496 3.083 -21.590 169 HB3 ASN 23 HB3 ASN 23 17.817 4.362 -20.431 170 HD21 ASN 23 HD21 ASN 23 16.716 0.970 -20.726 171 HD22 ASN 23 HD22 ASN 23 17.413 0.485 -19.195 172 H ARG 24 H ARG 24 13.840 5.699 -20.547 173 HA ARG 24 HA ARG 24 14.054 6.185 -17.653 174 HB2 ARG 24 HB2 ARG 24 14.537 8.434 -17.829 175 HB3 ARG 24 HB3 ARG 24 15.453 7.811 -19.219 176 HG2 ARG 24 HG2 ARG 24 13.679 8.502 -20.735 177 HG3 ARG 24 HG3 ARG 24 12.712 9.087 -19.378 178 HD2 ARG 24 HD2 ARG 24 13.661 10.895 -20.456 179 HD3 ARG 24 HD3 ARG 24 14.470 10.718 -18.881 180 HE ARG 24 HE ARG 24 15.992 9.353 -20.843 181 HH11 ARG 24 HH11 ARG 24 15.112 12.712 -20.062 182 HH12 ARG 24 HH12 ARG 24 16.190 13.403 -21.230 183 HH21 ARG 24 HH21 ARG 24 17.485 10.269 -22.315 184 HH22 ARG 24 HH22 ARG 24 17.570 11.956 -22.577 185 H LEU 25 H LEU 25 12.138 7.631 -16.965 186 HA LEU 25 HA LEU 25 9.692 6.436 -18.034 187 HB2 LEU 25 HB2 LEU 25 10.310 6.821 -15.542 188 HB3 LEU 25 HB3 LEU 25 10.122 8.513 -15.829 189 HG LEU 25 HG LEU 25 8.244 7.217 -14.717 190 HD11 LEU 25 HD11 LEU 25 8.048 9.544 -15.738 191 HD12 LEU 25 HD12 LEU 25 6.539 8.640 -15.472 192 HD13 LEU 25 HD13 LEU 25 7.222 8.784 -17.083 193 HD21 LEU 25 HD21 LEU 25 8.135 5.298 -16.277 194 HD22 LEU 25 HD22 LEU 25 7.445 6.378 -17.510 195 HD23 LEU 25 HD23 LEU 25 6.582 6.096 -15.999 196 H GLN 26 H GLN 26 8.108 7.557 -19.235 197 HA GLN 26 HA GLN 26 8.242 10.446 -19.629 198 HB2 GLN 26 HB2 GLN 26 8.555 8.380 -21.838 199 HB3 GLN 26 HB3 GLN 26 7.624 9.829 -22.121 200 HG2 GLN 26 HG2 GLN 26 9.506 10.854 -22.675 201 HG3 GLN 26 HG3 GLN 26 9.797 10.976 -20.945 202 HE21 GLN 26 HE21 GLN 26 10.269 7.847 -21.089 203 HE22 GLN 26 HE22 GLN 26 11.966 7.888 -21.512 204 H TYR 27 H TYR 27 6.125 10.940 -21.023 205 HA TYR 27 HA TYR 27 3.915 9.216 -20.270 206 HB2 TYR 27 HB2 TYR 27 2.842 11.563 -19.399 207 HB3 TYR 27 HB3 TYR 27 3.611 10.433 -18.335 208 HD1 TYR 27 HD1 TYR 27 5.663 10.938 -17.186 209 HD2 TYR 27 HD2 TYR 27 4.297 13.525 -20.353 210 HE1 TYR 27 HE1 TYR 27 7.427 12.562 -16.623 211 HE2 TYR 27 HE2 TYR 27 5.925 15.248 -19.661 212 HH TYR 27 HH TYR 27 8.133 14.816 -16.851 213 H GLU 28 H GLU 28 1.946 10.050 -21.179 214 HA GLU 28 HA GLU 28 2.209 11.874 -23.492 215 HB2 GLU 28 HB2 GLU 28 2.780 9.640 -24.352 216 HB3 GLU 28 HB3 GLU 28 1.259 8.989 -23.709 217 HG2 GLU 28 HG2 GLU 28 -0.048 10.285 -25.255 218 HG3 GLU 28 HG3 GLU 28 1.339 11.305 -25.670 219 H THR 29 H THR 29 0.702 13.347 -22.863 220 HA THR 29 HA THR 29 -1.986 12.346 -22.085 221 HB THR 29 HB THR 29 -0.736 13.132 -20.120 222 HG1 THR 29 HG1 THR 29 -3.022 13.397 -20.290 223 HG21 THR 29 HG21 THR 29 -0.344 15.512 -19.716 224 HG22 THR 29 HG22 THR 29 -0.717 15.880 -21.414 225 HG23 THR 29 HG23 THR 29 0.682 14.869 -20.991 226 H SER 30 H SER 30 -3.691 13.736 -22.481 227 HA SER 30 HA SER 30 -3.357 15.514 -24.825 228 HB2 SER 30 HB2 SER 30 -4.795 13.463 -25.054 229 HB3 SER 30 HB3 SER 30 -5.846 14.115 -23.783 230 HG SER 30 HG SER 30 -5.858 16.072 -25.201 231 H ARG 31 H ARG 31 -3.273 15.853 -21.590 232 HA ARG 31 HA ARG 31 -5.398 17.741 -21.030 233 HB2 ARG 31 HB2 ARG 31 -2.721 17.118 -19.682 234 HB3 ARG 31 HB3 ARG 31 -3.880 18.278 -19.027 235 HG2 ARG 31 HG2 ARG 31 -5.566 16.570 -18.694 236 HG3 ARG 31 HG3 ARG 31 -4.615 15.378 -19.568 237 HD2 ARG 31 HD2 ARG 31 -4.188 14.768 -17.401 238 HD3 ARG 31 HD3 ARG 31 -2.784 15.776 -17.746 239 HE ARG 31 HE ARG 31 -4.550 17.581 -16.690 240 HH11 ARG 31 HH11 ARG 31 -3.447 14.450 -15.449 241 HH12 ARG 31 HH12 ARG 31 -3.949 14.800 -13.817 242 HH21 ARG 31 HH21 ARG 31 -5.126 18.032 -14.609 243 HH22 ARG 31 HH22 ARG 31 -4.749 16.994 -13.263 244 H ASP 32 H ASP 32 -4.804 20.018 -20.370 245 HA ASP 32 HA ASP 32 -3.769 21.423 -22.652 246 HB2 ASP 32 HB2 ASP 32 -4.685 22.221 -19.887 247 HB3 ASP 32 HB3 ASP 32 -3.741 23.369 -20.840 248 H ASN 33 H ASN 33 -2.375 20.450 -19.611 249 HA ASN 33 HA ASN 33 0.332 20.370 -20.406 250 HB2 ASN 33 HB2 ASN 33 -0.052 22.899 -19.736 251 HB3 ASN 33 HB3 ASN 33 -0.209 22.265 -18.089 252 HD21 ASN 33 HD21 ASN 33 1.845 21.092 -17.116 253 HD22 ASN 33 HD22 ASN 33 3.356 21.472 -17.887 254 H ILE 34 H ILE 34 1.454 19.325 -18.464 255 HA ILE 34 HA ILE 34 -0.529 17.832 -16.895 256 HB ILE 34 HB ILE 34 1.241 16.680 -18.099 257 HG12 ILE 34 HG12 ILE 34 2.114 15.311 -16.052 258 HG13 ILE 34 HG13 ILE 34 1.173 16.410 -15.053 259 HG21 ILE 34 HG21 ILE 34 3.080 18.320 -17.878 260 HG22 ILE 34 HG22 ILE 34 3.210 17.907 -16.158 261 HG23 ILE 34 HG23 ILE 34 3.554 16.692 -17.407 262 HD11 ILE 34 HD11 ILE 34 -0.912 15.697 -16.228 263 HD12 ILE 34 HD12 ILE 34 0.026 14.811 -17.391 264 HD13 ILE 34 HD13 ILE 34 -0.011 14.268 -15.703 265 HA PRO 35 HA PRO 35 0.266 20.681 -13.522 266 HB2 PRO 35 HB2 PRO 35 -0.771 19.112 -11.449 267 HB3 PRO 35 HB3 PRO 35 -1.779 20.176 -12.535 268 HG2 PRO 35 HG2 PRO 35 -1.288 17.270 -12.501 269 HG3 PRO 35 HG3 PRO 35 -2.773 18.139 -12.986 270 HD2 PRO 35 HD2 PRO 35 -0.904 16.985 -14.663 271 HD3 PRO 35 HD3 PRO 35 -1.981 18.311 -15.177 272 H GLU 36 H GLU 36 1.674 20.769 -11.674 273 HA GLU 36 HA GLU 36 3.942 19.018 -11.858 274 HB2 GLU 36 HB2 GLU 36 4.714 20.262 -9.838 275 HB3 GLU 36 HB3 GLU 36 4.264 21.216 -11.288 276 HG2 GLU 36 HG2 GLU 36 2.030 21.717 -10.176 277 HG3 GLU 36 HG3 GLU 36 2.648 20.951 -8.723 278 H GLU 37 H GLU 37 1.170 19.109 -9.619 279 HA GLU 37 HA GLU 37 2.277 17.408 -7.636 280 HB2 GLU 37 HB2 GLU 37 0.052 17.026 -6.884 281 HB3 GLU 37 HB3 GLU 37 0.158 18.720 -7.414 282 HG2 GLU 37 HG2 GLU 37 -0.778 17.765 -9.684 283 HG3 GLU 37 HG3 GLU 37 -1.213 16.350 -8.707 284 H LEU 38 H LEU 38 0.931 16.680 -10.800 285 HA LEU 38 HA LEU 38 0.591 13.835 -10.354 286 HB2 LEU 38 HB2 LEU 38 0.596 15.729 -12.699 287 HB3 LEU 38 HB3 LEU 38 0.842 14.064 -13.073 288 HG LEU 38 HG LEU 38 -1.524 15.081 -13.217 289 HD11 LEU 38 HD11 LEU 38 -0.918 12.676 -13.507 290 HD12 LEU 38 HD12 LEU 38 -2.527 12.929 -12.865 291 HD13 LEU 38 HD13 LEU 38 -1.224 12.461 -11.763 292 HD21 LEU 38 HD21 LEU 38 -1.567 15.984 -10.870 293 HD22 LEU 38 HD22 LEU 38 -1.517 14.336 -10.260 294 HD23 LEU 38 HD23 LEU 38 -2.908 14.898 -11.201 295 H LEU 39 H LEU 39 2.897 15.910 -12.121 296 HA LEU 39 HA LEU 39 4.720 13.866 -12.828 297 HB2 LEU 39 HB2 LEU 39 5.185 16.825 -12.261 298 HB3 LEU 39 HB3 LEU 39 6.430 15.748 -12.868 299 HG LEU 39 HG LEU 39 3.871 16.518 -14.308 300 HD11 LEU 39 HD11 LEU 39 5.496 17.512 -15.920 301 HD12 LEU 39 HD12 LEU 39 6.838 16.974 -14.898 302 HD13 LEU 39 HD13 LEU 39 5.688 18.191 -14.293 303 HD21 LEU 39 HD21 LEU 39 6.028 14.498 -15.095 304 HD22 LEU 39 HD22 LEU 39 4.859 15.200 -16.236 305 HD23 LEU 39 HD23 LEU 39 4.272 14.197 -14.917 306 H ASN 40 H ASN 40 4.571 15.850 -9.866 307 HA ASN 40 HA ASN 40 6.941 14.860 -8.691 308 HB2 ASN 40 HB2 ASN 40 4.475 16.281 -7.698 309 HB3 ASN 40 HB3 ASN 40 5.513 15.487 -6.512 310 HD21 ASN 40 HD21 ASN 40 5.316 18.031 -8.898 311 HD22 ASN 40 HD22 ASN 40 6.789 18.857 -8.442 312 H GLU 41 H GLU 41 3.622 13.576 -8.548 313 HA GLU 41 HA GLU 41 4.293 11.507 -6.643 314 HB2 GLU 41 HB2 GLU 41 1.944 12.492 -8.037 315 HB3 GLU 41 HB3 GLU 41 2.014 10.737 -8.249 316 HG2 GLU 41 HG2 GLU 41 0.706 11.383 -6.244 317 HG3 GLU 41 HG3 GLU 41 2.101 10.392 -5.850 318 H TRP 42 H TRP 42 3.918 11.601 -10.210 319 HA TRP 42 HA TRP 42 4.598 8.833 -10.565 320 HB2 TRP 42 HB2 TRP 42 5.093 11.085 -12.531 321 HB3 TRP 42 HB3 TRP 42 4.949 9.375 -12.880 322 HD1 TRP 42 HD1 TRP 42 3.187 11.479 -14.334 323 HE1 TRP 42 HE1 TRP 42 0.639 11.342 -14.229 324 HE3 TRP 42 HE3 TRP 42 2.584 8.791 -9.942 325 HZ2 TRP 42 HZ2 TRP 42 -1.385 10.297 -12.482 326 HZ3 TRP 42 HZ3 TRP 42 0.346 8.299 -9.125 327 HH2 TRP 42 HH2 TRP 42 -1.654 8.993 -10.400 328 H LYS 43 H LYS 43 6.702 11.773 -10.512 329 HA LYS 43 HA LYS 43 9.129 10.494 -11.215 330 HB2 LYS 43 HB2 LYS 43 8.434 12.990 -9.632 331 HB3 LYS 43 HB3 LYS 43 10.119 12.496 -9.880 332 HG2 LYS 43 HG2 LYS 43 9.951 12.667 -12.254 333 HG3 LYS 43 HG3 LYS 43 8.214 12.673 -12.209 334 HD2 LYS 43 HD2 LYS 43 8.423 14.815 -12.661 335 HD3 LYS 43 HD3 LYS 43 8.503 14.967 -10.903 336 HE2 LYS 43 HE2 LYS 43 11.017 15.031 -11.112 337 HE3 LYS 43 HE3 LYS 43 10.836 14.933 -12.878 338 HZ1 LYS 43 HZ1 LYS 43 11.075 17.219 -12.195 339 HZ2 LYS 43 HZ2 LYS 43 9.857 17.103 -11.124 340 HZ3 LYS 43 HZ3 LYS 43 9.535 17.052 -12.727 341 H TYR 44 H TYR 44 7.392 10.743 -8.098 342 HA TYR 44 HA TYR 44 9.481 9.776 -6.480 343 HB2 TYR 44 HB2 TYR 44 7.146 10.669 -5.831 344 HB3 TYR 44 HB3 TYR 44 6.570 9.030 -6.046 345 HD1 TYR 44 HD1 TYR 44 7.766 11.351 -3.698 346 HD2 TYR 44 HD2 TYR 44 8.063 7.147 -4.691 347 HE1 TYR 44 HE1 TYR 44 8.484 10.837 -1.404 348 HE2 TYR 44 HE2 TYR 44 8.815 6.655 -2.418 349 HH TYR 44 HH TYR 44 9.357 7.525 -0.321 350 H TYR 45 H TYR 45 7.132 7.873 -8.436 351 HA TYR 45 HA TYR 45 8.687 5.404 -7.807 352 HB2 TYR 45 HB2 TYR 45 5.822 5.673 -8.715 353 HB3 TYR 45 HB3 TYR 45 6.668 4.175 -8.422 354 HD1 TYR 45 HD1 TYR 45 7.016 3.247 -6.254 355 HD2 TYR 45 HD2 TYR 45 5.365 7.195 -6.721 356 HE1 TYR 45 HE1 TYR 45 6.432 3.277 -3.851 357 HE2 TYR 45 HE2 TYR 45 4.853 7.272 -4.315 358 HH TYR 45 HH TYR 45 5.020 6.209 -2.321 359 H ARG 46 H ARG 46 9.474 7.385 -9.998 360 HA ARG 46 HA ARG 46 8.684 6.332 -12.501 361 HB2 ARG 46 HB2 ARG 46 10.307 7.536 -13.510 362 HB3 ARG 46 HB3 ARG 46 10.064 8.475 -12.068 363 HG2 ARG 46 HG2 ARG 46 12.324 6.448 -12.398 364 HG3 ARG 46 HG3 ARG 46 12.453 8.142 -12.868 365 HD2 ARG 46 HD2 ARG 46 12.178 8.975 -10.758 366 HD3 ARG 46 HD3 ARG 46 11.448 7.487 -10.141 367 HE ARG 46 HE ARG 46 14.051 6.751 -10.781 368 HH11 ARG 46 HH11 ARG 46 12.299 8.790 -8.441 369 HH12 ARG 46 HH12 ARG 46 13.532 8.712 -7.238 370 HH21 ARG 46 HH21 ARG 46 15.524 6.398 -9.074 371 HH22 ARG 46 HH22 ARG 46 15.400 7.233 -7.597 372 H GLN 47 H GLN 47 11.165 5.210 -10.200 373 HA GLN 47 HA GLN 47 12.373 3.316 -11.902 374 HB2 GLN 47 HB2 GLN 47 13.244 4.213 -9.713 375 HB3 GLN 47 HB3 GLN 47 12.036 3.248 -8.854 376 HG2 GLN 47 HG2 GLN 47 14.232 2.138 -8.832 377 HG3 GLN 47 HG3 GLN 47 13.059 1.173 -9.697 378 HE21 GLN 47 HE21 GLN 47 13.364 0.777 -11.954 379 HE22 GLN 47 HE22 GLN 47 14.639 1.403 -12.895 380 H ASP 48 H ASP 48 9.500 3.066 -9.760 381 HA ASP 48 HA ASP 48 9.303 0.204 -10.101 382 HB2 ASP 48 HB2 ASP 48 8.296 1.652 -8.179 383 HB3 ASP 48 HB3 ASP 48 7.025 2.060 -9.328 384 H LEU 49 H LEU 49 7.779 3.035 -11.450 385 HA LEU 49 HA LEU 49 5.906 1.931 -13.211 386 HB2 LEU 49 HB2 LEU 49 7.515 4.471 -13.225 387 HB3 LEU 49 HB3 LEU 49 6.605 4.046 -14.641 388 HG LEU 49 HG LEU 49 5.193 4.121 -11.985 389 HD11 LEU 49 HD11 LEU 49 5.756 6.515 -13.774 390 HD12 LEU 49 HD12 LEU 49 6.356 6.265 -12.107 391 HD13 LEU 49 HD13 LEU 49 4.629 6.490 -12.400 392 HD21 LEU 49 HD21 LEU 49 3.288 4.730 -13.398 393 HD22 LEU 49 HD22 LEU 49 3.987 3.157 -13.817 394 HD23 LEU 49 HD23 LEU 49 4.323 4.579 -14.840 395 H ILE 50 H ILE 50 9.185 3.089 -14.106 396 HA ILE 50 HA ILE 50 9.278 2.182 -16.701 397 HB ILE 50 HB ILE 50 11.479 2.330 -14.586 398 HG12 ILE 50 HG12 ILE 50 11.282 4.143 -17.003 399 HG13 ILE 50 HG13 ILE 50 10.182 4.415 -15.671 400 HG21 ILE 50 HG21 ILE 50 13.062 2.339 -16.668 401 HG22 ILE 50 HG22 ILE 50 12.407 0.791 -16.106 402 HG23 ILE 50 HG23 ILE 50 11.683 1.574 -17.515 403 HD11 ILE 50 HD11 ILE 50 13.244 4.344 -15.525 404 HD12 ILE 50 HD12 ILE 50 12.228 5.782 -15.378 405 HD13 ILE 50 HD13 ILE 50 12.205 4.572 -14.106 406 H ASP 51 H ASP 51 10.115 0.176 -13.843 407 HA ASP 51 HA ASP 51 11.019 -2.012 -15.229 408 HB2 ASP 51 HB2 ASP 51 10.669 -1.551 -12.638 409 HB3 ASP 51 HB3 ASP 51 9.147 -2.419 -12.862 410 H PHE 52 H PHE 52 7.588 -1.287 -14.496 411 HA PHE 52 HA PHE 52 6.677 -3.647 -15.998 412 HB2 PHE 52 HB2 PHE 52 5.379 -1.352 -14.495 413 HB3 PHE 52 HB3 PHE 52 4.434 -2.288 -15.635 414 HD1 PHE 52 HD1 PHE 52 7.090 -3.537 -13.207 415 HD2 PHE 52 HD2 PHE 52 2.929 -3.543 -14.409 416 HE1 PHE 52 HE1 PHE 52 6.606 -5.272 -11.549 417 HE2 PHE 52 HE2 PHE 52 2.465 -5.287 -12.723 418 HZ PHE 52 HZ PHE 52 4.276 -6.139 -11.269 419 H LEU 53 H LEU 53 7.139 -0.173 -16.597 420 HA LEU 53 HA LEU 53 5.467 0.013 -18.881 421 HB2 LEU 53 HB2 LEU 53 8.028 1.498 -18.225 422 HB3 LEU 53 HB3 LEU 53 6.971 1.961 -19.504 423 HG LEU 53 HG LEU 53 6.839 2.578 -16.662 424 HD11 LEU 53 HD11 LEU 53 5.629 4.455 -17.447 425 HD12 LEU 53 HD12 LEU 53 5.470 3.681 -19.032 426 HD13 LEU 53 HD13 LEU 53 7.069 4.175 -18.432 427 HD21 LEU 53 HD21 LEU 53 4.189 1.819 -17.962 428 HD22 LEU 53 HD22 LEU 53 4.391 2.714 -16.438 429 HD23 LEU 53 HD23 LEU 53 4.909 1.033 -16.531 430 H GLN 54 H GLN 54 8.859 -0.935 -18.576 431 HA GLN 54 HA GLN 54 9.495 -1.006 -21.312 432 HB2 GLN 54 HB2 GLN 54 10.341 -2.882 -19.099 433 HB3 GLN 54 HB3 GLN 54 11.188 -2.728 -20.627 434 HG2 GLN 54 HG2 GLN 54 10.835 -0.147 -19.192 435 HG3 GLN 54 HG3 GLN 54 11.550 -1.355 -18.180 436 HE21 GLN 54 HE21 GLN 54 12.771 1.062 -19.059 437 HE22 GLN 54 HE22 GLN 54 14.222 0.640 -19.955 438 H GLN 55 H GLN 55 8.009 -3.349 -19.177 439 HA GLN 55 HA GLN 55 7.707 -5.551 -21.004 440 HB2 GLN 55 HB2 GLN 55 6.042 -5.035 -18.500 441 HB3 GLN 55 HB3 GLN 55 6.298 -6.563 -19.324 442 HG2 GLN 55 HG2 GLN 55 8.738 -6.429 -18.753 443 HG3 GLN 55 HG3 GLN 55 8.414 -4.894 -17.927 444 HE21 GLN 55 HE21 GLN 55 6.735 -8.171 -17.890 445 HE22 GLN 55 HE22 GLN 55 6.679 -8.205 -16.144 446 H LEU 56 H LEU 56 5.480 -2.972 -19.973 447 HA LEU 56 HA LEU 56 3.063 -3.844 -21.184 448 HB2 LEU 56 HB2 LEU 56 4.203 -1.333 -20.087 449 HB3 LEU 56 HB3 LEU 56 3.070 -1.077 -21.399 450 HG LEU 56 HG LEU 56 1.417 -2.578 -20.193 451 HD11 LEU 56 HD11 LEU 56 1.686 -2.847 -17.774 452 HD12 LEU 56 HD12 LEU 56 3.274 -2.057 -17.823 453 HD13 LEU 56 HD13 LEU 56 3.036 -3.635 -18.594 454 HD21 LEU 56 HD21 LEU 56 1.200 -0.168 -20.292 455 HD22 LEU 56 HD22 LEU 56 2.329 0.042 -18.937 456 HD23 LEU 56 HD23 LEU 56 0.745 -0.723 -18.680 457 H ASP 57 H ASP 57 5.629 -1.643 -22.361 458 HA ASP 57 HA ASP 57 4.435 -1.449 -24.996 459 HB2 ASP 57 HB2 ASP 57 5.688 0.311 -23.759 460 HB3 ASP 57 HB3 ASP 57 7.178 -0.601 -23.999 461 H ALA 58 H ALA 58 6.796 -3.476 -23.476 462 HA ALA 58 HA ALA 58 8.167 -5.077 -24.034 463 HB1 ALA 58 HB1 ALA 58 6.006 -5.717 -26.068 464 HB2 ALA 58 HB2 ALA 58 7.176 -6.884 -25.394 465 HB3 ALA 58 HB3 ALA 58 5.953 -6.137 -24.349 466 H LYS 59 H LYS 59 8.367 -2.631 -25.782 467 HA LYS 59 HA LYS 59 9.455 -3.275 -28.260 468 HB2 LYS 59 HB2 LYS 59 10.003 -0.994 -28.366 469 HB3 LYS 59 HB3 LYS 59 8.600 -1.010 -27.327 470 HG2 LYS 59 HG2 LYS 59 11.497 -0.866 -26.411 471 HG3 LYS 59 HG3 LYS 59 10.485 0.527 -26.659 472 HD2 LYS 59 HD2 LYS 59 9.650 0.442 -24.599 473 HD3 LYS 59 HD3 LYS 59 9.182 -1.242 -24.767 474 HE2 LYS 59 HE2 LYS 59 10.724 -1.017 -22.901 475 HE3 LYS 59 HE3 LYS 59 11.439 -1.987 -24.190 476 HZ1 LYS 59 HZ1 LYS 59 12.127 0.861 -23.651 477 HZ2 LYS 59 HZ2 LYS 59 12.687 -0.012 -24.895 478 HZ3 LYS 59 HZ3 LYS 59 13.070 -0.457 -23.404 479 H GLU 60 H GLU 60 11.617 -2.757 -28.821 480 HA GLU 60 HA GLU 60 13.769 -3.653 -26.925 481 HB2 GLU 60 HB2 GLU 60 13.339 -4.624 -29.783 482 HB3 GLU 60 HB3 GLU 60 14.860 -4.801 -28.899 483 HG2 GLU 60 HG2 GLU 60 13.576 -6.035 -27.089 484 HG3 GLU 60 HG3 GLU 60 12.194 -6.083 -28.199 485 H GLU 61 H GLU 61 15.924 -2.934 -27.534 486 HA GLU 61 HA GLU 61 16.215 -0.752 -29.465 487 HB2 GLU 61 HB2 GLU 61 16.738 -0.472 -26.451 488 HB3 GLU 61 HB3 GLU 61 17.338 0.621 -27.661 489 HG2 GLU 61 HG2 GLU 61 15.579 1.834 -27.032 490 HG3 GLU 61 HG3 GLU 61 14.860 0.948 -28.364 491 H THR 62 H THR 62 18.645 0.012 -29.041 492 HA THR 62 HA THR 62 20.375 -2.370 -28.728 493 HB THR 62 HB THR 62 20.031 -1.477 -31.080 494 HG1 THR 62 HG1 THR 62 22.217 -1.608 -31.560 495 HG21 THR 62 HG21 THR 62 21.725 0.850 -30.109 496 HG22 THR 62 HG22 THR 62 20.021 0.952 -30.609 497 HG23 THR 62 HG23 THR 62 21.273 0.484 -31.774 498 H GLN 63 H GLN 63 22.745 -1.306 -28.306 499 HA GLN 63 HA GLN 63 22.563 -0.293 -25.669 500 HB2 GLN 63 HB2 GLN 63 24.428 -1.650 -26.737 501 HB3 GLN 63 HB3 GLN 63 24.979 -0.161 -27.526 502 HG2 GLN 63 HG2 GLN 63 25.498 0.844 -25.369 503 HG3 GLN 63 HG3 GLN 63 24.651 -0.451 -24.502 504 HE21 GLN 63 HE21 GLN 63 27.358 0.085 -26.778 505 HE22 GLN 63 HE22 GLN 63 28.184 -1.431 -26.415 Start of MODEL 9 1 H1 MET 1 H MET 1 4.811 -1.537 -1.698 2 HA MET 1 HA MET 1 2.446 -1.595 -1.313 3 HB2 MET 1 HB2 MET 1 3.577 1.223 -1.332 4 HB3 MET 1 HB3 MET 1 1.925 0.856 -0.830 5 HG2 MET 1 HG2 MET 1 2.995 -0.929 0.735 6 HG3 MET 1 HG3 MET 1 4.495 -0.026 0.473 7 HE1 MET 1 HE1 MET 1 4.688 0.591 3.164 8 HE2 MET 1 HE2 MET 1 5.204 1.751 1.914 9 HE3 MET 1 HE3 MET 1 4.292 2.316 3.327 10 H LYS 2 H LYS 2 3.190 0.802 -4.000 11 HA LYS 2 HA LYS 2 0.566 0.037 -5.103 12 HB2 LYS 2 HB2 LYS 2 0.704 2.403 -4.087 13 HB3 LYS 2 HB3 LYS 2 1.820 2.784 -5.415 14 HG2 LYS 2 HG2 LYS 2 0.102 2.078 -7.030 15 HG3 LYS 2 HG3 LYS 2 -0.990 1.653 -5.710 16 HD2 LYS 2 HD2 LYS 2 -0.764 4.132 -4.983 17 HD3 LYS 2 HD3 LYS 2 -0.052 4.400 -6.578 18 HE2 LYS 2 HE2 LYS 2 -2.396 4.888 -6.760 19 HE3 LYS 2 HE3 LYS 2 -2.080 3.355 -7.607 20 HZ1 LYS 2 HZ1 LYS 2 -4.073 3.172 -6.297 21 HZ2 LYS 2 HZ2 LYS 2 -3.342 3.654 -4.930 22 HZ3 LYS 2 HZ3 LYS 2 -2.988 2.206 -5.611 23 H ASN 3 H ASN 3 1.105 -1.386 -6.497 24 HA ASN 3 HA ASN 3 3.604 -1.508 -7.896 25 HB2 ASN 3 HB2 ASN 3 2.214 -3.040 -9.444 26 HB3 ASN 3 HB3 ASN 3 2.561 -3.560 -7.826 27 HD21 ASN 3 HD21 ASN 3 0.146 -3.800 -10.047 28 HD22 ASN 3 HD22 ASN 3 -1.267 -3.575 -9.036 29 H ALA 4 H ALA 4 3.917 -1.138 -10.048 30 HA ALA 4 HA ALA 4 3.446 1.324 -11.073 31 HB1 ALA 4 HB1 ALA 4 4.196 0.365 -13.265 32 HB2 ALA 4 HB2 ALA 4 5.195 -0.179 -11.904 33 HB3 ALA 4 HB3 ALA 4 3.975 -1.267 -12.588 34 H ALA 5 H ALA 5 1.634 -1.623 -11.916 35 HA ALA 5 HA ALA 5 -0.028 -0.553 -13.793 36 HB1 ALA 5 HB1 ALA 5 -1.583 -2.382 -13.268 37 HB2 ALA 5 HB2 ALA 5 0.101 -2.954 -13.175 38 HB3 ALA 5 HB3 ALA 5 -0.803 -2.599 -11.687 39 H GLN 6 H GLN 6 -0.554 -0.492 -10.231 40 HA GLN 6 HA GLN 6 -3.135 0.771 -10.323 41 HB2 GLN 6 HB2 GLN 6 -0.968 0.707 -8.184 42 HB3 GLN 6 HB3 GLN 6 -2.484 1.565 -8.004 43 HG2 GLN 6 HG2 GLN 6 -3.744 -0.487 -8.183 44 HG3 GLN 6 HG3 GLN 6 -2.209 -1.399 -8.230 45 HE21 GLN 6 HE21 GLN 6 -0.992 -1.543 -6.312 46 HE22 GLN 6 HE22 GLN 6 -1.455 -0.821 -4.766 47 H ILE 7 H ILE 7 0.195 2.004 -10.337 48 HA ILE 7 HA ILE 7 -0.563 4.741 -9.810 49 HB ILE 7 HB ILE 7 2.062 3.959 -11.151 50 HG12 ILE 7 HG12 ILE 7 1.249 3.297 -8.352 51 HG13 ILE 7 HG13 ILE 7 2.174 2.380 -9.539 52 HG21 ILE 7 HG21 ILE 7 1.307 5.966 -8.938 53 HG22 ILE 7 HG22 ILE 7 2.786 5.993 -9.914 54 HG23 ILE 7 HG23 ILE 7 1.238 6.363 -10.646 55 HD11 ILE 7 HD11 ILE 7 3.166 4.732 -7.916 56 HD12 ILE 7 HD12 ILE 7 3.702 3.059 -7.822 57 HD13 ILE 7 HD13 ILE 7 4.054 3.989 -9.281 58 H VAL 8 H VAL 8 0.109 2.810 -12.737 59 HA VAL 8 HA VAL 8 -0.263 5.039 -14.557 60 HB VAL 8 HB VAL 8 -0.333 2.038 -14.997 61 HG11 VAL 8 HG11 VAL 8 -0.227 4.120 -17.184 62 HG12 VAL 8 HG12 VAL 8 -0.267 2.338 -17.337 63 HG13 VAL 8 HG13 VAL 8 -1.683 3.182 -16.762 64 HG21 VAL 8 HG21 VAL 8 1.853 2.484 -16.121 65 HG22 VAL 8 HG22 VAL 8 1.778 4.114 -15.400 66 HG23 VAL 8 HG23 VAL 8 1.829 2.682 -14.371 67 H ASP 9 H ASP 9 -2.443 2.542 -13.200 68 HA ASP 9 HA ASP 9 -4.767 3.110 -14.659 69 HB2 ASP 9 HB2 ASP 9 -4.086 1.932 -11.969 70 HB3 ASP 9 HB3 ASP 9 -5.728 2.466 -12.196 71 H GLU 10 H GLU 10 -3.478 4.632 -11.778 72 HA GLU 10 HA GLU 10 -5.662 6.451 -11.219 73 HB2 GLU 10 HB2 GLU 10 -2.706 6.285 -10.518 74 HB3 GLU 10 HB3 GLU 10 -3.585 7.745 -10.142 75 HG2 GLU 10 HG2 GLU 10 -4.653 5.056 -9.232 76 HG3 GLU 10 HG3 GLU 10 -3.330 5.836 -8.372 77 H ALA 11 H ALA 11 -2.602 6.750 -13.113 78 HA ALA 11 HA ALA 11 -3.070 9.522 -13.772 79 HB1 ALA 11 HB1 ALA 11 -1.108 9.391 -15.046 80 HB2 ALA 11 HB2 ALA 11 -0.868 8.106 -13.881 81 HB3 ALA 11 HB3 ALA 11 -1.424 7.707 -15.525 82 H LEU 12 H LEU 12 -3.894 6.472 -15.330 83 HA LEU 12 HA LEU 12 -4.832 7.388 -17.833 84 HB2 LEU 12 HB2 LEU 12 -4.534 5.068 -17.535 85 HB3 LEU 12 HB3 LEU 12 -5.400 5.050 -16.016 86 HG LEU 12 HG LEU 12 -7.544 5.400 -17.173 87 HD11 LEU 12 HD11 LEU 12 -5.795 5.137 -19.661 88 HD12 LEU 12 HD12 LEU 12 -6.860 6.490 -19.262 89 HD13 LEU 12 HD13 LEU 12 -7.565 4.927 -19.681 90 HD21 LEU 12 HD21 LEU 12 -7.592 3.084 -18.136 91 HD22 LEU 12 HD22 LEU 12 -6.784 3.157 -16.564 92 HD23 LEU 12 HD23 LEU 12 -5.822 3.040 -18.041 93 H ASN 13 H ASN 13 -6.356 7.314 -14.640 94 HA ASN 13 HA ASN 13 -8.999 8.017 -15.374 95 HB2 ASN 13 HB2 ASN 13 -7.781 7.426 -13.021 96 HB3 ASN 13 HB3 ASN 13 -7.775 9.178 -12.873 97 HD21 ASN 13 HD21 ASN 13 -9.587 6.358 -12.529 98 HD22 ASN 13 HD22 ASN 13 -11.105 7.145 -12.125 99 H GLN 14 H GLN 14 -6.072 9.931 -15.097 100 HA GLN 14 HA GLN 14 -7.502 12.504 -15.357 101 HB2 GLN 14 HB2 GLN 14 -4.526 12.085 -14.967 102 HB3 GLN 14 HB3 GLN 14 -5.496 13.529 -14.696 103 HG2 GLN 14 HG2 GLN 14 -6.722 11.929 -12.944 104 HG3 GLN 14 HG3 GLN 14 -5.227 10.986 -13.113 105 HE21 GLN 14 HE21 GLN 14 -4.517 11.349 -10.901 106 HE22 GLN 14 HE22 GLN 14 -3.795 12.896 -10.516 107 H GLY 15 H GLY 15 -6.829 10.222 -17.488 108 HA2 GLY 15 HA2 GLY 15 -6.625 10.270 -19.790 109 HA3 GLY 15 HA3 GLY 15 -6.634 12.047 -19.701 110 H ILE 16 H ILE 16 -4.153 10.199 -17.933 111 HA ILE 16 HA ILE 16 -2.179 11.006 -20.007 112 HB ILE 16 HB ILE 16 -2.020 12.645 -18.451 113 HG12 ILE 16 HG12 ILE 16 0.092 11.507 -19.144 114 HG13 ILE 16 HG13 ILE 16 0.145 12.701 -17.843 115 HG21 ILE 16 HG21 ILE 16 -1.669 12.446 -16.039 116 HG22 ILE 16 HG22 ILE 16 -3.289 12.092 -16.634 117 HG23 ILE 16 HG23 ILE 16 -2.221 10.767 -16.167 118 HD11 ILE 16 HD11 ILE 16 1.578 10.845 -17.318 119 HD12 ILE 16 HD12 ILE 16 0.223 10.823 -16.203 120 HD13 ILE 16 HD13 ILE 16 0.276 9.678 -17.572 121 H THR 17 H THR 17 -0.693 9.568 -20.559 122 HA THR 17 HA THR 17 -0.890 6.842 -19.385 123 HB THR 17 HB THR 17 -0.129 7.717 -22.217 124 HG1 THR 17 HG1 THR 17 -2.323 7.954 -21.932 125 HG21 THR 17 HG21 THR 17 -0.541 4.914 -21.099 126 HG22 THR 17 HG22 THR 17 0.971 5.602 -21.729 127 HG23 THR 17 HG23 THR 17 -0.372 5.316 -22.823 128 H LEU 18 H LEU 18 0.997 5.695 -19.054 129 HA LEU 18 HA LEU 18 3.473 7.361 -18.960 130 HB2 LEU 18 HB2 LEU 18 2.676 4.958 -17.148 131 HB3 LEU 18 HB3 LEU 18 4.193 5.850 -17.185 132 HG LEU 18 HG LEU 18 2.958 6.639 -15.371 133 HD11 LEU 18 HD11 LEU 18 2.917 8.985 -15.701 134 HD12 LEU 18 HD12 LEU 18 2.713 8.796 -17.450 135 HD13 LEU 18 HD13 LEU 18 4.252 8.327 -16.660 136 HD21 LEU 18 HD21 LEU 18 0.660 7.542 -17.115 137 HD22 LEU 18 HD22 LEU 18 0.860 7.617 -15.375 138 HD23 LEU 18 HD23 LEU 18 0.675 6.047 -16.173 139 H PHE 19 H PHE 19 5.212 6.765 -20.085 140 HA PHE 19 HA PHE 19 5.446 3.957 -21.080 141 HB2 PHE 19 HB2 PHE 19 5.572 6.404 -22.870 142 HB3 PHE 19 HB3 PHE 19 6.197 4.841 -23.338 143 HD1 PHE 19 HD1 PHE 19 3.669 6.766 -24.292 144 HD2 PHE 19 HD2 PHE 19 4.290 2.832 -22.628 145 HE1 PHE 19 HE1 PHE 19 1.495 6.030 -25.183 146 HE2 PHE 19 HE2 PHE 19 2.117 2.110 -23.522 147 HZ PHE 19 HZ PHE 19 0.697 3.703 -24.793 148 H VAL 20 H VAL 20 7.688 3.677 -22.231 149 HA VAL 20 HA VAL 20 9.773 5.150 -20.739 150 HB VAL 20 HB VAL 20 9.265 2.158 -20.858 151 HG11 VAL 20 HG11 VAL 20 12.105 3.330 -20.800 152 HG12 VAL 20 HG12 VAL 20 11.620 1.645 -20.475 153 HG13 VAL 20 HG13 VAL 20 11.436 2.298 -22.086 154 HG21 VAL 20 HG21 VAL 20 10.751 3.919 -18.912 155 HG22 VAL 20 HG22 VAL 20 9.001 3.651 -18.852 156 HG23 VAL 20 HG23 VAL 20 10.098 2.278 -18.666 157 H ALA 21 H ALA 21 11.560 5.659 -21.857 158 HA ALA 21 HA ALA 21 12.281 4.806 -24.507 159 HB1 ALA 21 HB1 ALA 21 10.386 6.474 -24.937 160 HB2 ALA 21 HB2 ALA 21 11.391 7.701 -24.133 161 HB3 ALA 21 HB3 ALA 21 11.968 6.900 -25.600 162 H ASP 22 H ASP 22 14.408 5.565 -24.851 163 HA ASP 22 HA ASP 22 16.529 6.049 -24.179 164 HB2 ASP 22 HB2 ASP 22 15.078 8.284 -24.341 165 HB3 ASP 22 HB3 ASP 22 15.468 8.432 -22.660 166 H ASN 23 H ASN 23 15.095 4.245 -22.414 167 HA ASN 23 HA ASN 23 15.194 3.261 -20.425 168 HB2 ASN 23 HB2 ASN 23 17.679 3.412 -21.191 169 HB3 ASN 23 HB3 ASN 23 17.851 4.648 -19.944 170 HD21 ASN 23 HD21 ASN 23 16.303 1.398 -20.257 171 HD22 ASN 23 HD22 ASN 23 17.178 0.711 -18.877 172 H ARG 24 H ARG 24 14.087 6.085 -20.519 173 HA ARG 24 HA ARG 24 14.146 6.622 -17.598 174 HB2 ARG 24 HB2 ARG 24 14.393 8.882 -17.958 175 HB3 ARG 24 HB3 ARG 24 15.377 8.222 -19.279 176 HG2 ARG 24 HG2 ARG 24 13.315 8.504 -20.727 177 HG3 ARG 24 HG3 ARG 24 12.649 9.528 -19.459 178 HD2 ARG 24 HD2 ARG 24 15.276 9.917 -20.956 179 HD3 ARG 24 HD3 ARG 24 13.757 10.710 -21.354 180 HE ARG 24 HE ARG 24 14.941 11.031 -18.658 181 HH11 ARG 24 HH11 ARG 24 14.080 12.614 -21.781 182 HH12 ARG 24 HH12 ARG 24 14.794 14.122 -21.291 183 HH21 ARG 24 HH21 ARG 24 15.755 13.103 -18.104 184 HH22 ARG 24 HH22 ARG 24 15.501 14.443 -19.170 185 H LEU 25 H LEU 25 12.187 7.864 -16.880 186 HA LEU 25 HA LEU 25 9.762 6.459 -17.764 187 HB2 LEU 25 HB2 LEU 25 10.362 6.850 -15.371 188 HB3 LEU 25 HB3 LEU 25 10.281 8.570 -15.604 189 HG LEU 25 HG LEU 25 8.382 7.409 -14.402 190 HD11 LEU 25 HD11 LEU 25 7.439 9.106 -16.714 191 HD12 LEU 25 HD12 LEU 25 8.204 9.728 -15.230 192 HD13 LEU 25 HD13 LEU 25 6.669 8.858 -15.144 193 HD21 LEU 25 HD21 LEU 25 8.086 5.487 -15.924 194 HD22 LEU 25 HD22 LEU 25 7.422 6.585 -17.160 195 HD23 LEU 25 HD23 LEU 25 6.591 6.382 -15.613 196 H GLN 26 H GLN 26 8.111 7.470 -19.021 197 HA GLN 26 HA GLN 26 8.195 10.361 -19.463 198 HB2 GLN 26 HB2 GLN 26 8.355 8.222 -21.625 199 HB3 GLN 26 HB3 GLN 26 7.432 9.678 -21.895 200 HG2 GLN 26 HG2 GLN 26 9.276 10.685 -22.553 201 HG3 GLN 26 HG3 GLN 26 9.735 10.796 -20.859 202 HE21 GLN 26 HE21 GLN 26 10.205 7.641 -21.017 203 HE22 GLN 26 HE22 GLN 26 11.820 7.719 -21.696 204 H TYR 27 H TYR 27 6.119 11.041 -20.521 205 HA TYR 27 HA TYR 27 3.811 9.446 -19.781 206 HB2 TYR 27 HB2 TYR 27 2.957 11.699 -18.716 207 HB3 TYR 27 HB3 TYR 27 3.888 10.573 -17.735 208 HD1 TYR 27 HD1 TYR 27 6.275 11.042 -17.212 209 HD2 TYR 27 HD2 TYR 27 3.834 13.894 -19.345 210 HE1 TYR 27 HE1 TYR 27 8.034 12.720 -16.936 211 HE2 TYR 27 HE2 TYR 27 5.539 15.631 -18.982 212 HH TYR 27 HH TYR 27 7.504 16.160 -17.873 213 H GLU 28 H GLU 28 2.077 10.067 -21.016 214 HA GLU 28 HA GLU 28 2.333 12.445 -22.753 215 HB2 GLU 28 HB2 GLU 28 3.115 10.551 -24.084 216 HB3 GLU 28 HB3 GLU 28 1.657 9.632 -23.712 217 HG2 GLU 28 HG2 GLU 28 1.515 10.542 -25.961 218 HG3 GLU 28 HG3 GLU 28 0.291 11.282 -24.948 219 H THR 29 H THR 29 0.473 13.559 -22.987 220 HA THR 29 HA THR 29 -2.103 12.301 -22.354 221 HB THR 29 HB THR 29 -1.146 13.153 -20.260 222 HG1 THR 29 HG1 THR 29 -3.391 13.213 -20.485 223 HG21 THR 29 HG21 THR 29 0.232 14.996 -20.965 224 HG22 THR 29 HG22 THR 29 -0.956 15.550 -19.783 225 HG23 THR 29 HG23 THR 29 -1.188 15.917 -21.507 226 H SER 30 H SER 30 -3.805 14.060 -22.572 227 HA SER 30 HA SER 30 -3.466 15.581 -25.102 228 HB2 SER 30 HB2 SER 30 -4.927 13.428 -24.990 229 HB3 SER 30 HB3 SER 30 -6.046 14.388 -24.022 230 HG SER 30 HG SER 30 -6.325 15.762 -25.740 231 H ARG 31 H ARG 31 -3.533 15.969 -21.811 232 HA ARG 31 HA ARG 31 -5.575 17.986 -21.435 233 HB2 ARG 31 HB2 ARG 31 -3.027 17.211 -19.911 234 HB3 ARG 31 HB3 ARG 31 -4.166 18.435 -19.353 235 HG2 ARG 31 HG2 ARG 31 -5.949 16.841 -19.160 236 HG3 ARG 31 HG3 ARG 31 -4.986 15.545 -19.854 237 HD2 ARG 31 HD2 ARG 31 -3.927 15.091 -17.919 238 HD3 ARG 31 HD3 ARG 31 -3.610 16.780 -17.560 239 HE ARG 31 HE ARG 31 -6.363 15.717 -17.188 240 HH11 ARG 31 HH11 ARG 31 -3.406 16.834 -15.542 241 HH12 ARG 31 HH12 ARG 31 -4.189 16.748 -13.963 242 HH21 ARG 31 HH21 ARG 31 -7.279 15.695 -15.162 243 HH22 ARG 31 HH22 ARG 31 -6.372 16.179 -13.758 244 H ASP 32 H ASP 32 -5.023 20.281 -20.958 245 HA ASP 32 HA ASP 32 -3.524 21.546 -23.030 246 HB2 ASP 32 HB2 ASP 32 -5.320 22.734 -22.025 247 HB3 ASP 32 HB3 ASP 32 -4.755 22.393 -20.395 248 H ASN 33 H ASN 33 -2.712 20.581 -19.714 249 HA ASN 33 HA ASN 33 0.106 20.607 -20.158 250 HB2 ASN 33 HB2 ASN 33 0.722 22.208 -18.444 251 HB3 ASN 33 HB3 ASN 33 -0.214 23.033 -19.672 252 HD21 ASN 33 HD21 ASN 33 -1.754 24.437 -18.833 253 HD22 ASN 33 HD22 ASN 33 -2.271 24.413 -17.153 254 H ILE 34 H ILE 34 1.152 19.788 -18.014 255 HA ILE 34 HA ILE 34 -0.816 18.052 -16.638 256 HB ILE 34 HB ILE 34 0.854 16.843 -18.036 257 HG12 ILE 34 HG12 ILE 34 1.690 15.331 -16.064 258 HG13 ILE 34 HG13 ILE 34 0.777 16.402 -15.018 259 HG21 ILE 34 HG21 ILE 34 3.163 16.650 -17.378 260 HG22 ILE 34 HG22 ILE 34 2.802 18.358 -17.633 261 HG23 ILE 34 HG23 ILE 34 2.891 17.741 -15.990 262 HD11 ILE 34 HD11 ILE 34 -1.298 15.873 -16.369 263 HD12 ILE 34 HD12 ILE 34 -0.325 14.828 -17.410 264 HD13 ILE 34 HD13 ILE 34 -0.543 14.417 -15.695 265 HA PRO 35 HA PRO 35 0.208 20.688 -13.212 266 HB2 PRO 35 HB2 PRO 35 -0.729 19.027 -11.162 267 HB3 PRO 35 HB3 PRO 35 -1.757 20.138 -12.148 268 HG2 PRO 35 HG2 PRO 35 -1.228 17.242 -12.311 269 HG3 PRO 35 HG3 PRO 35 -2.800 18.075 -12.568 270 HD2 PRO 35 HD2 PRO 35 -1.206 17.131 -14.568 271 HD3 PRO 35 HD3 PRO 35 -2.176 18.617 -14.797 272 H GLU 36 H GLU 36 1.714 20.752 -11.428 273 HA GLU 36 HA GLU 36 4.003 19.096 -11.812 274 HB2 GLU 36 HB2 GLU 36 4.868 20.214 -9.784 275 HB3 GLU 36 HB3 GLU 36 4.262 21.321 -11.037 276 HG2 GLU 36 HG2 GLU 36 2.191 21.701 -9.794 277 HG3 GLU 36 HG3 GLU 36 2.694 20.574 -8.546 278 H GLU 37 H GLU 37 1.313 18.891 -9.549 279 HA GLU 37 HA GLU 37 2.551 17.101 -7.680 280 HB2 GLU 37 HB2 GLU 37 0.114 16.311 -7.314 281 HB3 GLU 37 HB3 GLU 37 0.546 17.960 -6.861 282 HG2 GLU 37 HG2 GLU 37 -0.550 18.955 -8.683 283 HG3 GLU 37 HG3 GLU 37 -0.571 17.454 -9.619 284 H LEU 38 H LEU 38 0.781 16.538 -10.741 285 HA LEU 38 HA LEU 38 0.811 13.701 -10.703 286 HB2 LEU 38 HB2 LEU 38 0.580 15.830 -12.807 287 HB3 LEU 38 HB3 LEU 38 0.871 14.200 -13.339 288 HG LEU 38 HG LEU 38 -1.550 15.132 -13.202 289 HD11 LEU 38 HD11 LEU 38 -0.894 12.808 -13.766 290 HD12 LEU 38 HD12 LEU 38 -2.421 12.895 -12.900 291 HD13 LEU 38 HD13 LEU 38 -0.951 12.420 -12.025 292 HD21 LEU 38 HD21 LEU 38 -2.779 14.782 -11.166 293 HD22 LEU 38 HD22 LEU 38 -1.429 15.821 -10.753 294 HD23 LEU 38 HD23 LEU 38 -1.360 14.113 -10.340 295 H LEU 39 H LEU 39 2.983 16.119 -12.149 296 HA LEU 39 HA LEU 39 4.869 14.331 -13.222 297 HB2 LEU 39 HB2 LEU 39 5.170 17.170 -12.150 298 HB3 LEU 39 HB3 LEU 39 6.541 16.317 -12.839 299 HG LEU 39 HG LEU 39 3.956 16.690 -14.371 300 HD11 LEU 39 HD11 LEU 39 5.005 18.635 -15.514 301 HD12 LEU 39 HD12 LEU 39 6.376 18.556 -14.379 302 HD13 LEU 39 HD13 LEU 39 4.747 18.954 -13.809 303 HD21 LEU 39 HD21 LEU 39 6.843 16.316 -15.304 304 HD22 LEU 39 HD22 LEU 39 5.379 16.320 -16.320 305 HD23 LEU 39 HD23 LEU 39 5.684 15.009 -15.174 306 H ASN 40 H ASN 40 4.899 15.922 -10.070 307 HA ASN 40 HA ASN 40 7.230 14.728 -9.038 308 HB2 ASN 40 HB2 ASN 40 4.827 16.130 -7.859 309 HB3 ASN 40 HB3 ASN 40 5.934 15.295 -6.795 310 HD21 ASN 40 HD21 ASN 40 5.704 17.946 -9.137 311 HD22 ASN 40 HD22 ASN 40 7.143 18.783 -8.538 312 H GLU 41 H GLU 41 3.867 13.534 -8.961 313 HA GLU 41 HA GLU 41 4.434 11.377 -7.108 314 HB2 GLU 41 HB2 GLU 41 2.186 12.405 -8.695 315 HB3 GLU 41 HB3 GLU 41 2.279 10.670 -8.831 316 HG2 GLU 41 HG2 GLU 41 0.763 11.323 -7.059 317 HG3 GLU 41 HG3 GLU 41 2.086 10.297 -6.515 318 H TRP 42 H TRP 42 4.032 11.495 -10.665 319 HA TRP 42 HA TRP 42 4.709 8.784 -11.158 320 HB2 TRP 42 HB2 TRP 42 4.857 11.246 -12.888 321 HB3 TRP 42 HB3 TRP 42 4.930 9.628 -13.499 322 HD1 TRP 42 HD1 TRP 42 2.846 11.344 -14.698 323 HE1 TRP 42 HE1 TRP 42 0.328 11.172 -14.320 324 HE3 TRP 42 HE3 TRP 42 2.782 8.720 -10.248 325 HZ2 TRP 42 HZ2 TRP 42 -1.482 10.169 -12.312 326 HZ3 TRP 42 HZ3 TRP 42 0.652 8.310 -9.109 327 HH2 TRP 42 HH2 TRP 42 -1.491 8.995 -10.141 328 H LYS 43 H LYS 43 6.780 11.705 -11.049 329 HA LYS 43 HA LYS 43 9.179 10.348 -11.842 330 HB2 LYS 43 HB2 LYS 43 8.625 12.909 -10.292 331 HB3 LYS 43 HB3 LYS 43 10.266 12.353 -10.698 332 HG2 LYS 43 HG2 LYS 43 9.906 12.526 -13.030 333 HG3 LYS 43 HG3 LYS 43 8.183 12.652 -12.848 334 HD2 LYS 43 HD2 LYS 43 8.888 14.807 -13.401 335 HD3 LYS 43 HD3 LYS 43 8.488 14.883 -11.687 336 HE2 LYS 43 HE2 LYS 43 11.331 14.377 -12.634 337 HE3 LYS 43 HE3 LYS 43 10.670 16.012 -12.607 338 HZ1 LYS 43 HZ1 LYS 43 10.825 14.284 -10.192 339 HZ2 LYS 43 HZ2 LYS 43 10.357 15.856 -10.240 340 HZ3 LYS 43 HZ3 LYS 43 11.896 15.409 -10.599 341 H TYR 44 H TYR 44 7.521 10.688 -8.708 342 HA TYR 44 HA TYR 44 9.777 9.914 -7.113 343 HB2 TYR 44 HB2 TYR 44 7.796 11.017 -6.176 344 HB3 TYR 44 HB3 TYR 44 6.801 9.612 -6.533 345 HD1 TYR 44 HD1 TYR 44 10.024 10.445 -4.784 346 HD2 TYR 44 HD2 TYR 44 6.389 8.147 -4.760 347 HE1 TYR 44 HE1 TYR 44 10.631 9.552 -2.560 348 HE2 TYR 44 HE2 TYR 44 7.006 7.186 -2.559 349 HH TYR 44 HH TYR 44 10.045 8.034 -0.866 350 H TYR 45 H TYR 45 7.007 7.897 -8.414 351 HA TYR 45 HA TYR 45 8.429 5.469 -7.614 352 HB2 TYR 45 HB2 TYR 45 5.650 6.059 -8.721 353 HB3 TYR 45 HB3 TYR 45 6.252 4.435 -8.502 354 HD1 TYR 45 HD1 TYR 45 7.468 4.031 -6.072 355 HD2 TYR 45 HD2 TYR 45 4.288 6.845 -6.894 356 HE1 TYR 45 HE1 TYR 45 6.877 4.062 -3.672 357 HE2 TYR 45 HE2 TYR 45 3.642 6.806 -4.514 358 HH TYR 45 HH TYR 45 3.955 5.156 -2.473 359 H ARG 46 H ARG 46 9.227 7.398 -10.047 360 HA ARG 46 HA ARG 46 8.726 6.177 -12.406 361 HB2 ARG 46 HB2 ARG 46 10.415 7.302 -13.341 362 HB3 ARG 46 HB3 ARG 46 10.158 8.271 -11.939 363 HG2 ARG 46 HG2 ARG 46 12.370 6.157 -12.209 364 HG3 ARG 46 HG3 ARG 46 12.536 7.809 -12.709 365 HD2 ARG 46 HD2 ARG 46 12.614 8.657 -10.612 366 HD3 ARG 46 HD3 ARG 46 11.503 7.448 -9.969 367 HE ARG 46 HE ARG 46 13.151 6.078 -9.368 368 HH11 ARG 46 HH11 ARG 46 14.690 8.662 -11.318 369 HH12 ARG 46 HH12 ARG 46 16.262 8.355 -10.671 370 HH21 ARG 46 HH21 ARG 46 15.253 5.580 -8.687 371 HH22 ARG 46 HH22 ARG 46 16.611 6.458 -9.266 372 H GLN 47 H GLN 47 11.218 5.006 -10.082 373 HA GLN 47 HA GLN 47 12.241 3.063 -11.898 374 HB2 GLN 47 HB2 GLN 47 13.433 3.918 -9.878 375 HB3 GLN 47 HB3 GLN 47 12.251 3.095 -8.853 376 HG2 GLN 47 HG2 GLN 47 14.379 1.854 -9.032 377 HG3 GLN 47 HG3 GLN 47 13.008 0.916 -9.620 378 HE21 GLN 47 HE21 GLN 47 12.901 0.373 -11.838 379 HE22 GLN 47 HE22 GLN 47 14.242 0.591 -12.934 380 H ASP 48 H ASP 48 9.452 3.035 -9.634 381 HA ASP 48 HA ASP 48 9.122 0.136 -9.778 382 HB2 ASP 48 HB2 ASP 48 8.151 2.103 -8.095 383 HB3 ASP 48 HB3 ASP 48 6.804 1.983 -9.212 384 H LEU 49 H LEU 49 7.804 2.971 -11.355 385 HA LEU 49 HA LEU 49 5.961 1.639 -13.049 386 HB2 LEU 49 HB2 LEU 49 7.268 4.366 -13.115 387 HB3 LEU 49 HB3 LEU 49 6.384 3.776 -14.505 388 HG LEU 49 HG LEU 49 4.676 3.201 -12.292 389 HD11 LEU 49 HD11 LEU 49 5.907 5.964 -12.058 390 HD12 LEU 49 HD12 LEU 49 5.796 4.666 -10.843 391 HD13 LEU 49 HD13 LEU 49 4.334 5.481 -11.361 392 HD21 LEU 49 HD21 LEU 49 3.944 3.600 -14.450 393 HD22 LEU 49 HD22 LEU 49 4.560 5.253 -14.471 394 HD23 LEU 49 HD23 LEU 49 3.206 4.793 -13.388 395 H ILE 50 H ILE 50 9.134 3.038 -14.013 396 HA ILE 50 HA ILE 50 9.283 2.155 -16.579 397 HB ILE 50 HB ILE 50 11.471 2.316 -14.473 398 HG12 ILE 50 HG12 ILE 50 11.271 4.148 -16.865 399 HG13 ILE 50 HG13 ILE 50 10.153 4.393 -15.559 400 HG21 ILE 50 HG21 ILE 50 12.451 0.815 -15.988 401 HG22 ILE 50 HG22 ILE 50 11.680 1.549 -17.394 402 HG23 ILE 50 HG23 ILE 50 13.032 2.376 -16.594 403 HD11 ILE 50 HD11 ILE 50 12.159 4.601 -13.984 404 HD12 ILE 50 HD12 ILE 50 13.222 4.316 -15.370 405 HD13 ILE 50 HD13 ILE 50 12.246 5.774 -15.300 406 H ASP 51 H ASP 51 10.265 0.164 -13.793 407 HA ASP 51 HA ASP 51 11.219 -2.047 -15.090 408 HB2 ASP 51 HB2 ASP 51 10.998 -1.385 -12.577 409 HB3 ASP 51 HB3 ASP 51 9.364 -2.025 -12.627 410 H PHE 52 H PHE 52 7.837 -1.269 -14.424 411 HA PHE 52 HA PHE 52 6.824 -3.708 -15.735 412 HB2 PHE 52 HB2 PHE 52 5.858 -2.606 -13.670 413 HB3 PHE 52 HB3 PHE 52 5.419 -1.223 -14.663 414 HD1 PHE 52 HD1 PHE 52 5.045 -4.991 -15.002 415 HD2 PHE 52 HD2 PHE 52 3.115 -1.121 -15.052 416 HE1 PHE 52 HE1 PHE 52 2.881 -6.064 -15.534 417 HE2 PHE 52 HE2 PHE 52 0.948 -2.218 -15.520 418 HZ PHE 52 HZ PHE 52 0.823 -4.671 -15.774 419 H LEU 53 H LEU 53 7.164 -0.241 -16.422 420 HA LEU 53 HA LEU 53 5.444 -0.040 -18.695 421 HB2 LEU 53 HB2 LEU 53 8.003 1.512 -18.137 422 HB3 LEU 53 HB3 LEU 53 6.838 1.962 -19.321 423 HG LEU 53 HG LEU 53 6.835 2.415 -16.439 424 HD11 LEU 53 HD11 LEU 53 5.721 4.400 -16.961 425 HD12 LEU 53 HD12 LEU 53 5.397 3.822 -18.618 426 HD13 LEU 53 HD13 LEU 53 7.052 4.177 -18.088 427 HD21 LEU 53 HD21 LEU 53 4.213 1.642 -17.748 428 HD22 LEU 53 HD22 LEU 53 4.329 2.608 -16.285 429 HD23 LEU 53 HD23 LEU 53 4.936 0.953 -16.280 430 H GLN 54 H GLN 54 8.871 -0.937 -18.458 431 HA GLN 54 HA GLN 54 9.472 -1.007 -21.221 432 HB2 GLN 54 HB2 GLN 54 10.352 -3.032 -19.153 433 HB3 GLN 54 HB3 GLN 54 11.159 -2.626 -20.674 434 HG2 GLN 54 HG2 GLN 54 10.976 -0.237 -19.082 435 HG3 GLN 54 HG3 GLN 54 11.385 -1.516 -17.989 436 HE21 GLN 54 HE21 GLN 54 12.960 0.827 -19.121 437 HE22 GLN 54 HE22 GLN 54 14.340 0.180 -19.960 438 H GLN 55 H GLN 55 7.802 -3.331 -19.137 439 HA GLN 55 HA GLN 55 7.575 -5.450 -21.127 440 HB2 GLN 55 HB2 GLN 55 5.858 -5.103 -18.633 441 HB3 GLN 55 HB3 GLN 55 6.175 -6.565 -19.549 442 HG2 GLN 55 HG2 GLN 55 8.539 -6.530 -18.849 443 HG3 GLN 55 HG3 GLN 55 8.240 -5.044 -17.920 444 HE21 GLN 55 HE21 GLN 55 8.766 -5.958 -15.906 445 HE22 GLN 55 HE22 GLN 55 7.840 -7.226 -15.141 446 H LEU 56 H LEU 56 5.674 -2.602 -20.324 447 HA LEU 56 HA LEU 56 3.200 -3.548 -21.527 448 HB2 LEU 56 HB2 LEU 56 4.180 -1.080 -20.182 449 HB3 LEU 56 HB3 LEU 56 3.166 -0.736 -21.561 450 HG LEU 56 HG LEU 56 1.594 -2.628 -20.460 451 HD11 LEU 56 HD11 LEU 56 3.259 -3.114 -18.614 452 HD12 LEU 56 HD12 LEU 56 1.668 -2.588 -18.023 453 HD13 LEU 56 HD13 LEU 56 3.042 -1.463 -18.031 454 HD21 LEU 56 HD21 LEU 56 1.708 0.132 -19.251 455 HD22 LEU 56 HD22 LEU 56 0.295 -0.937 -19.366 456 HD23 LEU 56 HD23 LEU 56 0.991 -0.231 -20.842 457 H ASP 57 H ASP 57 5.919 -1.479 -22.517 458 HA ASP 57 HA ASP 57 4.865 -1.053 -25.232 459 HB2 ASP 57 HB2 ASP 57 6.224 0.535 -23.876 460 HB3 ASP 57 HB3 ASP 57 7.607 -0.546 -24.045 461 H ALA 58 H ALA 58 7.057 -3.237 -23.560 462 HA ALA 58 HA ALA 58 8.396 -4.946 -24.140 463 HB1 ALA 58 HB1 ALA 58 5.952 -5.575 -25.821 464 HB2 ALA 58 HB2 ALA 58 7.207 -6.746 -25.345 465 HB3 ALA 58 HB3 ALA 58 6.188 -5.969 -24.115 466 H LYS 59 H LYS 59 9.362 -2.783 -25.384 467 HA LYS 59 HA LYS 59 10.508 -3.879 -27.825 468 HB2 LYS 59 HB2 LYS 59 8.335 -2.603 -28.439 469 HB3 LYS 59 HB3 LYS 59 9.040 -1.194 -27.700 470 HG2 LYS 59 HG2 LYS 59 9.273 -1.059 -30.101 471 HG3 LYS 59 HG3 LYS 59 10.867 -1.200 -29.375 472 HD2 LYS 59 HD2 LYS 59 10.667 -2.527 -31.391 473 HD3 LYS 59 HD3 LYS 59 10.954 -3.601 -30.031 474 HE2 LYS 59 HE2 LYS 59 8.100 -3.005 -30.868 475 HE3 LYS 59 HE3 LYS 59 9.072 -4.053 -31.905 476 HZ1 LYS 59 HZ1 LYS 59 7.767 -5.263 -30.272 477 HZ2 LYS 59 HZ2 LYS 59 8.620 -4.618 -29.034 478 HZ3 LYS 59 HZ3 LYS 59 9.389 -5.566 -30.137 479 H GLU 60 H GLU 60 12.556 -2.861 -28.250 480 HA GLU 60 HA GLU 60 13.460 -0.953 -26.171 481 HB2 GLU 60 HB2 GLU 60 15.010 -3.319 -27.315 482 HB3 GLU 60 HB3 GLU 60 15.611 -2.099 -26.193 483 HG2 GLU 60 HG2 GLU 60 15.110 -3.612 -24.617 484 HG3 GLU 60 HG3 GLU 60 13.485 -2.946 -24.728 485 H GLU 61 H GLU 61 15.319 0.227 -26.794 486 HA GLU 61 HA GLU 61 15.935 0.619 -29.651 487 HB2 GLU 61 HB2 GLU 61 15.401 3.153 -29.284 488 HB3 GLU 61 HB3 GLU 61 14.112 2.047 -29.680 489 HG2 GLU 61 HG2 GLU 61 13.007 2.351 -27.730 490 HG3 GLU 61 HG3 GLU 61 14.471 2.319 -26.756 491 H THR 62 H THR 62 17.086 0.343 -26.537 492 HA THR 62 HA THR 62 19.362 2.203 -26.944 493 HB THR 62 HB THR 62 19.629 1.836 -24.451 494 HG1 THR 62 HG1 THR 62 18.126 0.827 -23.361 495 HG21 THR 62 HG21 THR 62 17.813 3.380 -23.839 496 HG22 THR 62 HG22 THR 62 16.991 3.069 -25.379 497 HG23 THR 62 HG23 THR 62 18.566 3.877 -25.358 498 H GLN 63 H GLN 63 21.375 1.233 -25.638 499 HA GLN 63 HA GLN 63 22.217 -1.052 -27.186 500 HB2 GLN 63 HB2 GLN 63 23.692 0.904 -26.541 501 HB3 GLN 63 HB3 GLN 63 23.662 0.325 -24.869 502 HG2 GLN 63 HG2 GLN 63 24.644 -1.832 -25.617 503 HG3 GLN 63 HG3 GLN 63 24.652 -1.258 -27.282 504 HE21 GLN 63 HE21 GLN 63 26.834 -2.152 -25.493 505 HE22 GLN 63 HE22 GLN 63 28.036 -0.866 -25.569 Start of MODEL 10 1 H1 MET 1 H MET 1 2.283 -0.302 -0.034 2 HA MET 1 HA MET 1 4.009 0.831 -2.153 3 HB2 MET 1 HB2 MET 1 3.380 -2.048 -1.389 4 HB3 MET 1 HB3 MET 1 4.163 -1.592 -2.904 5 HG2 MET 1 HG2 MET 1 5.259 -0.960 -0.138 6 HG3 MET 1 HG3 MET 1 5.769 -2.272 -1.189 7 HE1 MET 1 HE1 MET 1 7.099 2.119 -1.436 8 HE2 MET 1 HE2 MET 1 5.391 1.770 -1.211 9 HE3 MET 1 HE3 MET 1 6.577 1.201 -0.015 10 H LYS 2 H LYS 2 3.410 0.742 -4.284 11 HA LYS 2 HA LYS 2 0.681 -0.071 -5.016 12 HB2 LYS 2 HB2 LYS 2 0.548 2.345 -4.214 13 HB3 LYS 2 HB3 LYS 2 1.797 2.757 -5.399 14 HG2 LYS 2 HG2 LYS 2 0.275 1.952 -7.220 15 HG3 LYS 2 HG3 LYS 2 -1.007 1.690 -6.026 16 HD2 LYS 2 HD2 LYS 2 -0.604 4.216 -5.392 17 HD3 LYS 2 HD3 LYS 2 0.372 4.297 -6.843 18 HE2 LYS 2 HE2 LYS 2 -1.746 5.010 -7.583 19 HE3 LYS 2 HE3 LYS 2 -1.634 3.323 -8.095 20 HZ1 LYS 2 HZ1 LYS 2 -3.263 4.517 -6.013 21 HZ2 LYS 2 HZ2 LYS 2 -2.826 2.968 -5.776 22 HZ3 LYS 2 HZ3 LYS 2 -3.706 3.390 -7.110 23 H ASN 3 H ASN 3 1.188 -1.449 -6.489 24 HA ASN 3 HA ASN 3 3.624 -1.520 -7.963 25 HB2 ASN 3 HB2 ASN 3 2.235 -3.104 -9.427 26 HB3 ASN 3 HB3 ASN 3 2.639 -3.596 -7.822 27 HD21 ASN 3 HD21 ASN 3 0.195 -3.956 -9.908 28 HD22 ASN 3 HD22 ASN 3 -1.197 -3.819 -8.828 29 H ALA 4 H ALA 4 3.884 -1.205 -10.133 30 HA ALA 4 HA ALA 4 3.354 1.250 -11.224 31 HB1 ALA 4 HB1 ALA 4 4.082 0.325 -13.376 32 HB2 ALA 4 HB2 ALA 4 5.082 -0.285 -12.047 33 HB3 ALA 4 HB3 ALA 4 3.818 -1.325 -12.756 34 H ALA 5 H ALA 5 1.540 -1.751 -11.878 35 HA ALA 5 HA ALA 5 -0.169 -0.836 -13.786 36 HB1 ALA 5 HB1 ALA 5 -0.818 -2.789 -11.547 37 HB2 ALA 5 HB2 ALA 5 -1.703 -2.632 -13.066 38 HB3 ALA 5 HB3 ALA 5 -0.019 -3.184 -13.082 39 H GLN 6 H GLN 6 -0.551 -0.460 -10.251 40 HA GLN 6 HA GLN 6 -3.163 0.794 -10.372 41 HB2 GLN 6 HB2 GLN 6 -1.005 0.509 -8.229 42 HB3 GLN 6 HB3 GLN 6 -2.452 1.462 -7.977 43 HG2 GLN 6 HG2 GLN 6 -3.849 -0.479 -8.386 44 HG3 GLN 6 HG3 GLN 6 -2.411 -1.514 -8.497 45 HE21 GLN 6 HE21 GLN 6 -1.005 -1.524 -6.484 46 HE22 GLN 6 HE22 GLN 6 -1.707 -1.241 -4.916 47 H ILE 7 H ILE 7 0.227 1.922 -10.455 48 HA ILE 7 HA ILE 7 -0.373 4.694 -9.928 49 HB ILE 7 HB ILE 7 2.052 3.693 -11.474 50 HG12 ILE 7 HG12 ILE 7 1.410 3.347 -8.574 51 HG13 ILE 7 HG13 ILE 7 2.232 2.282 -9.678 52 HG21 ILE 7 HG21 ILE 7 3.099 5.694 -10.565 53 HG22 ILE 7 HG22 ILE 7 1.576 6.162 -11.305 54 HG23 ILE 7 HG23 ILE 7 1.691 5.992 -9.529 55 HD11 ILE 7 HD11 ILE 7 3.824 3.027 -8.059 56 HD12 ILE 7 HD12 ILE 7 4.233 3.770 -9.607 57 HD13 ILE 7 HD13 ILE 7 3.414 4.718 -8.326 58 H VAL 8 H VAL 8 0.311 2.859 -12.973 59 HA VAL 8 HA VAL 8 -0.214 5.106 -14.635 60 HB VAL 8 HB VAL 8 -0.420 2.168 -15.359 61 HG11 VAL 8 HG11 VAL 8 -1.515 3.579 -17.039 62 HG12 VAL 8 HG12 VAL 8 -0.058 4.573 -17.175 63 HG13 VAL 8 HG13 VAL 8 -0.032 2.863 -17.670 64 HG21 VAL 8 HG21 VAL 8 1.874 2.520 -16.295 65 HG22 VAL 8 HG22 VAL 8 1.904 4.053 -15.378 66 HG23 VAL 8 HG23 VAL 8 1.746 2.500 -14.546 67 H ASP 9 H ASP 9 -2.371 2.694 -13.259 68 HA ASP 9 HA ASP 9 -4.753 3.370 -14.717 69 HB2 ASP 9 HB2 ASP 9 -4.196 2.147 -12.012 70 HB3 ASP 9 HB3 ASP 9 -5.800 2.814 -12.295 71 H GLU 10 H GLU 10 -3.465 4.729 -11.646 72 HA GLU 10 HA GLU 10 -5.614 6.574 -11.344 73 HB2 GLU 10 HB2 GLU 10 -2.964 6.074 -10.071 74 HB3 GLU 10 HB3 GLU 10 -3.503 7.763 -10.009 75 HG2 GLU 10 HG2 GLU 10 -5.682 7.084 -9.099 76 HG3 GLU 10 HG3 GLU 10 -5.286 5.383 -9.339 77 H ALA 11 H ALA 11 -2.603 6.793 -13.178 78 HA ALA 11 HA ALA 11 -2.899 9.642 -13.690 79 HB1 ALA 11 HB1 ALA 11 -1.315 7.649 -15.353 80 HB2 ALA 11 HB2 ALA 11 -0.946 9.350 -15.066 81 HB3 ALA 11 HB3 ALA 11 -0.754 8.179 -13.762 82 H LEU 12 H LEU 12 -3.560 6.634 -15.508 83 HA LEU 12 HA LEU 12 -4.481 7.698 -17.908 84 HB2 LEU 12 HB2 LEU 12 -3.959 5.393 -17.735 85 HB3 LEU 12 HB3 LEU 12 -5.079 5.155 -16.387 86 HG LEU 12 HG LEU 12 -6.989 5.591 -17.807 87 HD11 LEU 12 HD11 LEU 12 -4.969 5.651 -20.139 88 HD12 LEU 12 HD12 LEU 12 -5.917 7.037 -19.593 89 HD13 LEU 12 HD13 LEU 12 -6.740 5.655 -20.294 90 HD21 LEU 12 HD21 LEU 12 -6.104 3.273 -17.506 91 HD22 LEU 12 HD22 LEU 12 -5.096 3.477 -18.956 92 HD23 LEU 12 HD23 LEU 12 -6.857 3.471 -19.100 93 H ASN 13 H ASN 13 -6.224 7.160 -14.882 94 HA ASN 13 HA ASN 13 -8.875 7.670 -15.629 95 HB2 ASN 13 HB2 ASN 13 -7.659 7.097 -13.332 96 HB3 ASN 13 HB3 ASN 13 -7.676 8.845 -13.108 97 HD21 ASN 13 HD21 ASN 13 -9.011 6.644 -11.670 98 HD22 ASN 13 HD22 ASN 13 -10.748 6.934 -11.762 99 H GLN 14 H GLN 14 -6.172 9.960 -15.100 100 HA GLN 14 HA GLN 14 -7.879 12.319 -15.426 101 HB2 GLN 14 HB2 GLN 14 -4.873 12.310 -15.206 102 HB3 GLN 14 HB3 GLN 14 -6.057 13.532 -14.710 103 HG2 GLN 14 HG2 GLN 14 -6.775 11.689 -12.984 104 HG3 GLN 14 HG3 GLN 14 -5.248 10.927 -13.420 105 HE21 GLN 14 HE21 GLN 14 -4.611 11.159 -11.169 106 HE22 GLN 14 HE22 GLN 14 -3.886 12.628 -10.622 107 H GLY 15 H GLY 15 -6.644 10.186 -17.596 108 HA2 GLY 15 HA2 GLY 15 -6.507 10.336 -19.888 109 HA3 GLY 15 HA3 GLY 15 -6.623 12.090 -19.796 110 H ILE 16 H ILE 16 -4.083 10.166 -18.013 111 HA ILE 16 HA ILE 16 -2.107 11.106 -19.969 112 HB ILE 16 HB ILE 16 -1.978 12.785 -18.365 113 HG12 ILE 16 HG12 ILE 16 0.124 11.627 -19.118 114 HG13 ILE 16 HG13 ILE 16 0.212 12.804 -17.827 115 HG21 ILE 16 HG21 ILE 16 -3.256 12.037 -16.538 116 HG22 ILE 16 HG22 ILE 16 -2.040 10.820 -16.135 117 HG23 ILE 16 HG23 ILE 16 -1.647 12.541 -15.972 118 HD11 ILE 16 HD11 ILE 16 0.317 9.814 -17.505 119 HD12 ILE 16 HD12 ILE 16 1.648 10.966 -17.423 120 HD13 ILE 16 HD13 ILE 16 0.390 11.003 -16.177 121 H THR 17 H THR 17 -0.771 9.580 -20.525 122 HA THR 17 HA THR 17 -0.837 6.954 -19.086 123 HB THR 17 HB THR 17 -0.205 7.643 -22.004 124 HG1 THR 17 HG1 THR 17 -2.201 7.256 -22.506 125 HG21 THR 17 HG21 THR 17 -0.766 4.942 -20.707 126 HG22 THR 17 HG22 THR 17 0.780 5.494 -21.426 127 HG23 THR 17 HG23 THR 17 -0.623 5.232 -22.452 128 H LEU 18 H LEU 18 1.095 5.781 -18.887 129 HA LEU 18 HA LEU 18 3.538 7.466 -18.926 130 HB2 LEU 18 HB2 LEU 18 2.857 5.144 -16.968 131 HB3 LEU 18 HB3 LEU 18 4.354 6.056 -17.133 132 HG LEU 18 HG LEU 18 3.238 6.866 -15.284 133 HD11 LEU 18 HD11 LEU 18 3.086 9.228 -15.712 134 HD12 LEU 18 HD12 LEU 18 2.784 8.942 -17.419 135 HD13 LEU 18 HD13 LEU 18 4.389 8.561 -16.720 136 HD21 LEU 18 HD21 LEU 18 1.126 7.724 -15.078 137 HD22 LEU 18 HD22 LEU 18 0.940 6.195 -15.941 138 HD23 LEU 18 HD23 LEU 18 0.807 7.711 -16.831 139 H PHE 19 H PHE 19 5.129 6.840 -20.180 140 HA PHE 19 HA PHE 19 5.343 4.000 -21.107 141 HB2 PHE 19 HB2 PHE 19 5.481 6.492 -22.854 142 HB3 PHE 19 HB3 PHE 19 6.141 4.948 -23.343 143 HD1 PHE 19 HD1 PHE 19 3.682 6.858 -24.367 144 HD2 PHE 19 HD2 PHE 19 4.178 2.921 -22.643 145 HE1 PHE 19 HE1 PHE 19 1.572 6.122 -25.423 146 HE2 PHE 19 HE2 PHE 19 2.093 2.193 -23.728 147 HZ PHE 19 HZ PHE 19 0.770 3.788 -25.106 148 H VAL 20 H VAL 20 7.582 3.590 -22.094 149 HA VAL 20 HA VAL 20 9.678 5.174 -20.722 150 HB VAL 20 HB VAL 20 9.174 2.212 -20.784 151 HG11 VAL 20 HG11 VAL 20 11.226 2.227 -22.152 152 HG12 VAL 20 HG12 VAL 20 12.030 3.288 -20.963 153 HG13 VAL 20 HG13 VAL 20 11.541 1.628 -20.531 154 HG21 VAL 20 HG21 VAL 20 10.850 3.952 -18.968 155 HG22 VAL 20 HG22 VAL 20 9.107 3.750 -18.774 156 HG23 VAL 20 HG23 VAL 20 10.168 2.340 -18.634 157 H ALA 21 H ALA 21 11.447 5.766 -21.879 158 HA ALA 21 HA ALA 21 12.079 4.782 -24.500 159 HB1 ALA 21 HB1 ALA 21 10.889 7.573 -24.080 160 HB2 ALA 21 HB2 ALA 21 11.902 7.141 -25.453 161 HB3 ALA 21 HB3 ALA 21 10.346 6.329 -25.224 162 H ASP 22 H ASP 22 14.314 5.465 -24.859 163 HA ASP 22 HA ASP 22 16.394 6.030 -24.152 164 HB2 ASP 22 HB2 ASP 22 14.721 8.324 -23.972 165 HB3 ASP 22 HB3 ASP 22 15.706 8.379 -22.552 166 H ASN 23 H ASN 23 14.850 4.209 -22.388 167 HA ASN 23 HA ASN 23 14.954 3.132 -20.438 168 HB2 ASN 23 HB2 ASN 23 17.400 3.100 -21.161 169 HB3 ASN 23 HB3 ASN 23 17.670 4.418 -20.016 170 HD21 ASN 23 HD21 ASN 23 16.393 1.042 -20.254 171 HD22 ASN 23 HD22 ASN 23 16.869 0.639 -18.611 172 H ARG 24 H ARG 24 13.995 6.042 -20.476 173 HA ARG 24 HA ARG 24 13.945 6.406 -17.506 174 HB2 ARG 24 HB2 ARG 24 14.320 8.699 -17.702 175 HB3 ARG 24 HB3 ARG 24 15.393 8.019 -18.936 176 HG2 ARG 24 HG2 ARG 24 13.465 8.435 -20.575 177 HG3 ARG 24 HG3 ARG 24 12.773 9.486 -19.327 178 HD2 ARG 24 HD2 ARG 24 14.876 10.805 -19.379 179 HD3 ARG 24 HD3 ARG 24 15.503 9.679 -20.624 180 HE ARG 24 HE ARG 24 13.354 10.380 -21.881 181 HH11 ARG 24 HH11 ARG 24 15.450 12.719 -20.104 182 HH12 ARG 24 HH12 ARG 24 14.762 14.066 -20.911 183 HH21 ARG 24 HH21 ARG 24 12.667 12.125 -23.035 184 HH22 ARG 24 HH22 ARG 24 13.260 13.733 -22.722 185 H LEU 25 H LEU 25 12.054 7.693 -16.762 186 HA LEU 25 HA LEU 25 9.621 6.505 -17.791 187 HB2 LEU 25 HB2 LEU 25 10.220 6.882 -15.356 188 HB3 LEU 25 HB3 LEU 25 10.151 8.603 -15.624 189 HG LEU 25 HG LEU 25 8.203 7.410 -14.470 190 HD11 LEU 25 HD11 LEU 25 8.096 9.748 -15.129 191 HD12 LEU 25 HD12 LEU 25 6.535 8.934 -15.280 192 HD13 LEU 25 HD13 LEU 25 7.478 9.279 -16.734 193 HD21 LEU 25 HD21 LEU 25 7.321 6.735 -17.290 194 HD22 LEU 25 HD22 LEU 25 6.430 6.484 -15.797 195 HD23 LEU 25 HD23 LEU 25 7.920 5.571 -16.081 196 H GLN 26 H GLN 26 8.075 7.609 -19.075 197 HA GLN 26 HA GLN 26 8.315 10.496 -19.494 198 HB2 GLN 26 HB2 GLN 26 8.489 8.371 -21.666 199 HB3 GLN 26 HB3 GLN 26 7.539 9.804 -21.951 200 HG2 GLN 26 HG2 GLN 26 9.344 10.860 -22.613 201 HG3 GLN 26 HG3 GLN 26 9.836 10.955 -20.925 202 HE21 GLN 26 HE21 GLN 26 10.360 7.951 -20.854 203 HE22 GLN 26 HE22 GLN 26 11.900 7.842 -21.664 204 H TYR 27 H TYR 27 6.238 11.150 -20.725 205 HA TYR 27 HA TYR 27 3.931 9.572 -19.939 206 HB2 TYR 27 HB2 TYR 27 3.044 11.950 -19.056 207 HB3 TYR 27 HB3 TYR 27 3.757 10.744 -18.013 208 HD1 TYR 27 HD1 TYR 27 5.881 11.036 -16.973 209 HD2 TYR 27 HD2 TYR 27 4.475 13.960 -19.792 210 HE1 TYR 27 HE1 TYR 27 7.721 12.540 -16.331 211 HE2 TYR 27 HE2 TYR 27 6.209 15.545 -19.052 212 HH TYR 27 HH TYR 27 8.055 15.846 -17.654 213 H GLU 28 H GLU 28 2.099 10.261 -20.991 214 HA GLU 28 HA GLU 28 2.324 12.292 -23.135 215 HB2 GLU 28 HB2 GLU 28 2.975 10.100 -24.123 216 HB3 GLU 28 HB3 GLU 28 1.463 9.383 -23.527 217 HG2 GLU 28 HG2 GLU 28 0.169 11.030 -24.902 218 HG3 GLU 28 HG3 GLU 28 1.698 11.723 -25.465 219 H THR 29 H THR 29 0.464 13.469 -23.133 220 HA THR 29 HA THR 29 -2.044 12.302 -22.215 221 HB THR 29 HB THR 29 -0.908 13.173 -20.199 222 HG1 THR 29 HG1 THR 29 -3.198 13.295 -20.438 223 HG21 THR 29 HG21 THR 29 -0.562 15.512 -19.780 224 HG22 THR 29 HG22 THR 29 -1.086 15.947 -21.426 225 HG23 THR 29 HG23 THR 29 0.395 15.002 -21.169 226 H SER 30 H SER 30 -3.823 13.701 -22.651 227 HA SER 30 HA SER 30 -3.363 15.538 -24.925 228 HB2 SER 30 HB2 SER 30 -4.676 13.464 -25.360 229 HB3 SER 30 HB3 SER 30 -5.917 14.060 -24.237 230 HG SER 30 HG SER 30 -6.189 15.840 -25.546 231 H ARG 31 H ARG 31 -3.420 15.797 -21.746 232 HA ARG 31 HA ARG 31 -5.580 17.662 -21.161 233 HB2 ARG 31 HB2 ARG 31 -2.900 17.046 -19.813 234 HB3 ARG 31 HB3 ARG 31 -4.075 18.171 -19.144 235 HG2 ARG 31 HG2 ARG 31 -5.681 16.455 -18.717 236 HG3 ARG 31 HG3 ARG 31 -4.837 15.297 -19.723 237 HD2 ARG 31 HD2 ARG 31 -4.198 14.548 -17.664 238 HD3 ARG 31 HD3 ARG 31 -2.841 15.610 -18.023 239 HE ARG 31 HE ARG 31 -4.569 17.283 -16.704 240 HH11 ARG 31 HH11 ARG 31 -3.200 14.140 -15.759 241 HH12 ARG 31 HH12 ARG 31 -3.693 14.347 -14.088 242 HH21 ARG 31 HH21 ARG 31 -5.173 17.484 -14.570 243 HH22 ARG 31 HH22 ARG 31 -4.782 16.251 -13.396 244 H ASP 32 H ASP 32 -5.050 19.950 -20.581 245 HA ASP 32 HA ASP 32 -3.898 21.325 -22.795 246 HB2 ASP 32 HB2 ASP 32 -5.245 22.042 -20.376 247 HB3 ASP 32 HB3 ASP 32 -3.823 23.059 -20.564 248 H ASN 33 H ASN 33 -2.663 20.512 -19.619 249 HA ASN 33 HA ASN 33 0.113 20.482 -20.291 250 HB2 ASN 33 HB2 ASN 33 0.865 22.172 -18.783 251 HB3 ASN 33 HB3 ASN 33 -0.382 22.983 -19.714 252 HD21 ASN 33 HD21 ASN 33 0.619 21.977 -16.449 253 HD22 ASN 33 HD22 ASN 33 -0.817 22.598 -15.685 254 H ILE 34 H ILE 34 1.230 19.573 -18.258 255 HA ILE 34 HA ILE 34 -0.724 17.959 -16.724 256 HB ILE 34 HB ILE 34 1.057 16.833 -18.040 257 HG12 ILE 34 HG12 ILE 34 1.936 15.367 -16.108 258 HG13 ILE 34 HG13 ILE 34 1.032 16.416 -15.020 259 HG21 ILE 34 HG21 ILE 34 2.877 18.533 -17.626 260 HG22 ILE 34 HG22 ILE 34 3.030 17.888 -15.998 261 HG23 ILE 34 HG23 ILE 34 3.355 16.845 -17.411 262 HD11 ILE 34 HD11 ILE 34 -0.217 14.345 -15.702 263 HD12 ILE 34 HD12 ILE 34 -1.086 15.798 -16.231 264 HD13 ILE 34 HD13 ILE 34 -0.151 14.877 -17.396 265 HA PRO 35 HA PRO 35 0.177 20.681 -13.287 266 HB2 PRO 35 HB2 PRO 35 -0.682 18.998 -11.219 267 HB3 PRO 35 HB3 PRO 35 -1.771 20.085 -12.182 268 HG2 PRO 35 HG2 PRO 35 -1.213 17.186 -12.298 269 HG3 PRO 35 HG3 PRO 35 -2.764 18.008 -12.660 270 HD2 PRO 35 HD2 PRO 35 -0.983 16.998 -14.522 271 HD3 PRO 35 HD3 PRO 35 -2.103 18.335 -14.880 272 H GLU 36 H GLU 36 1.661 20.750 -11.433 273 HA GLU 36 HA GLU 36 4.025 19.171 -11.876 274 HB2 GLU 36 HB2 GLU 36 4.852 20.137 -9.741 275 HB3 GLU 36 HB3 GLU 36 4.350 21.351 -10.962 276 HG2 GLU 36 HG2 GLU 36 2.166 21.592 -9.742 277 HG3 GLU 36 HG3 GLU 36 2.758 20.500 -8.495 278 H GLU 37 H GLU 37 1.441 18.920 -9.468 279 HA GLU 37 HA GLU 37 2.661 17.071 -7.729 280 HB2 GLU 37 HB2 GLU 37 0.226 16.419 -7.270 281 HB3 GLU 37 HB3 GLU 37 0.746 18.067 -6.909 282 HG2 GLU 37 HG2 GLU 37 -0.262 18.921 -8.947 283 HG3 GLU 37 HG3 GLU 37 -0.706 17.302 -9.470 284 H LEU 38 H LEU 38 0.850 16.542 -10.755 285 HA LEU 38 HA LEU 38 0.843 13.681 -10.659 286 HB2 LEU 38 HB2 LEU 38 0.587 15.791 -12.778 287 HB3 LEU 38 HB3 LEU 38 0.873 14.168 -13.327 288 HG LEU 38 HG LEU 38 -1.563 15.069 -13.155 289 HD11 LEU 38 HD11 LEU 38 -0.936 12.354 -12.017 290 HD12 LEU 38 HD12 LEU 38 -0.869 12.746 -13.753 291 HD13 LEU 38 HD13 LEU 38 -2.405 12.802 -12.899 292 HD21 LEU 38 HD21 LEU 38 -1.464 15.762 -10.736 293 HD22 LEU 38 HD22 LEU 38 -1.285 14.077 -10.290 294 HD23 LEU 38 HD23 LEU 38 -2.762 14.624 -11.084 295 H LEU 39 H LEU 39 3.087 16.071 -12.072 296 HA LEU 39 HA LEU 39 4.894 14.113 -13.123 297 HB2 LEU 39 HB2 LEU 39 5.439 16.980 -12.221 298 HB3 LEU 39 HB3 LEU 39 6.624 15.950 -13.019 299 HG LEU 39 HG LEU 39 4.014 16.942 -14.216 300 HD11 LEU 39 HD11 LEU 39 5.503 18.196 -15.732 301 HD12 LEU 39 HD12 LEU 39 6.929 17.543 -14.901 302 HD13 LEU 39 HD13 LEU 39 5.816 18.638 -14.053 303 HD21 LEU 39 HD21 LEU 39 5.056 15.900 -16.342 304 HD22 LEU 39 HD22 LEU 39 4.336 14.787 -15.181 305 HD23 LEU 39 HD23 LEU 39 6.104 14.994 -15.234 306 H ASN 40 H ASN 40 4.910 15.875 -10.067 307 HA ASN 40 HA ASN 40 7.191 14.738 -8.917 308 HB2 ASN 40 HB2 ASN 40 4.676 16.006 -7.808 309 HB3 ASN 40 HB3 ASN 40 5.989 15.436 -6.748 310 HD21 ASN 40 HD21 ASN 40 5.148 18.135 -6.877 311 HD22 ASN 40 HD22 ASN 40 6.403 19.112 -7.611 312 H GLU 41 H GLU 41 3.840 13.577 -8.840 313 HA GLU 41 HA GLU 41 4.334 11.394 -7.071 314 HB2 GLU 41 HB2 GLU 41 2.193 12.297 -8.924 315 HB3 GLU 41 HB3 GLU 41 2.298 10.557 -8.803 316 HG2 GLU 41 HG2 GLU 41 0.692 11.063 -7.258 317 HG3 GLU 41 HG3 GLU 41 2.132 10.738 -6.307 318 H TRP 42 H TRP 42 4.165 11.473 -10.662 319 HA TRP 42 HA TRP 42 5.008 8.732 -10.911 320 HB2 TRP 42 HB2 TRP 42 5.173 10.874 -13.011 321 HB3 TRP 42 HB3 TRP 42 5.091 9.139 -13.247 322 HD1 TRP 42 HD1 TRP 42 3.124 11.338 -14.511 323 HE1 TRP 42 HE1 TRP 42 0.597 11.227 -14.136 324 HE3 TRP 42 HE3 TRP 42 2.979 8.366 -10.312 325 HZ2 TRP 42 HZ2 TRP 42 -1.240 10.198 -12.159 326 HZ3 TRP 42 HZ3 TRP 42 0.815 8.010 -9.134 327 HH2 TRP 42 HH2 TRP 42 -1.269 8.912 -10.048 328 H LYS 43 H LYS 43 6.868 11.794 -10.679 329 HA LYS 43 HA LYS 43 9.394 10.775 -11.481 330 HB2 LYS 43 HB2 LYS 43 8.371 13.042 -9.728 331 HB3 LYS 43 HB3 LYS 43 10.103 12.701 -9.773 332 HG2 LYS 43 HG2 LYS 43 10.137 13.049 -12.171 333 HG3 LYS 43 HG3 LYS 43 8.436 13.243 -12.238 334 HD2 LYS 43 HD2 LYS 43 9.015 15.418 -12.310 335 HD3 LYS 43 HD3 LYS 43 8.745 15.259 -10.579 336 HE2 LYS 43 HE2 LYS 43 11.508 14.737 -11.703 337 HE3 LYS 43 HE3 LYS 43 10.929 16.400 -11.706 338 HZ1 LYS 43 HZ1 LYS 43 10.748 16.406 -9.384 339 HZ2 LYS 43 HZ2 LYS 43 12.221 15.790 -9.739 340 HZ3 LYS 43 HZ3 LYS 43 11.041 14.785 -9.233 341 H TYR 44 H TYR 44 7.501 10.622 -8.467 342 HA TYR 44 HA TYR 44 9.663 9.796 -6.812 343 HB2 TYR 44 HB2 TYR 44 7.516 10.670 -5.957 344 HB3 TYR 44 HB3 TYR 44 6.758 9.128 -6.332 345 HD1 TYR 44 HD1 TYR 44 8.945 10.941 -4.029 346 HD2 TYR 44 HD2 TYR 44 7.610 7.009 -5.157 347 HE1 TYR 44 HE1 TYR 44 9.685 10.061 -1.849 348 HE2 TYR 44 HE2 TYR 44 8.268 6.133 -2.966 349 HH TYR 44 HH TYR 44 10.092 8.071 -0.634 350 H TYR 45 H TYR 45 6.930 7.684 -7.934 351 HA TYR 45 HA TYR 45 8.500 5.283 -7.684 352 HB2 TYR 45 HB2 TYR 45 5.640 5.823 -8.593 353 HB3 TYR 45 HB3 TYR 45 6.365 4.239 -8.512 354 HD1 TYR 45 HD1 TYR 45 6.926 3.060 -6.500 355 HD2 TYR 45 HD2 TYR 45 5.096 6.964 -6.325 356 HE1 TYR 45 HE1 TYR 45 6.495 2.742 -4.107 357 HE2 TYR 45 HE2 TYR 45 4.681 6.673 -3.929 358 HH TYR 45 HH TYR 45 5.335 5.360 -2.012 359 H ARG 46 H ARG 46 9.373 7.310 -9.877 360 HA ARG 46 HA ARG 46 8.627 6.319 -12.363 361 HB2 ARG 46 HB2 ARG 46 10.210 7.565 -13.335 362 HB3 ARG 46 HB3 ARG 46 10.013 8.432 -11.845 363 HG2 ARG 46 HG2 ARG 46 12.259 6.425 -12.387 364 HG3 ARG 46 HG3 ARG 46 12.365 8.149 -12.718 365 HD2 ARG 46 HD2 ARG 46 12.366 8.792 -10.585 366 HD3 ARG 46 HD3 ARG 46 11.416 7.425 -9.997 367 HE ARG 46 HE ARG 46 14.035 6.572 -10.837 368 HH11 ARG 46 HH11 ARG 46 12.118 7.967 -8.163 369 HH12 ARG 46 HH12 ARG 46 13.204 7.467 -6.932 370 HH21 ARG 46 HH21 ARG 46 15.422 5.762 -9.141 371 HH22 ARG 46 HH22 ARG 46 15.154 6.263 -7.506 372 H GLN 47 H GLN 47 11.245 5.019 -10.230 373 HA GLN 47 HA GLN 47 12.202 3.157 -12.189 374 HB2 GLN 47 HB2 GLN 47 13.488 3.935 -10.190 375 HB3 GLN 47 HB3 GLN 47 12.343 3.095 -9.146 376 HG2 GLN 47 HG2 GLN 47 14.308 1.773 -9.308 377 HG3 GLN 47 HG3 GLN 47 13.011 0.930 -10.103 378 HE21 GLN 47 HE21 GLN 47 13.328 0.342 -12.370 379 HE22 GLN 47 HE22 GLN 47 14.769 0.717 -13.202 380 H ASP 48 H ASP 48 9.529 3.110 -9.773 381 HA ASP 48 HA ASP 48 9.155 0.261 -10.042 382 HB2 ASP 48 HB2 ASP 48 8.215 2.224 -8.294 383 HB3 ASP 48 HB3 ASP 48 6.791 1.875 -9.241 384 H LEU 49 H LEU 49 7.739 3.111 -11.447 385 HA LEU 49 HA LEU 49 5.760 1.926 -13.121 386 HB2 LEU 49 HB2 LEU 49 7.372 4.508 -13.215 387 HB3 LEU 49 HB3 LEU 49 6.426 4.054 -14.611 388 HG LEU 49 HG LEU 49 5.019 4.121 -11.967 389 HD11 LEU 49 HD11 LEU 49 5.697 6.593 -13.602 390 HD12 LEU 49 HD12 LEU 49 6.258 6.238 -11.951 391 HD13 LEU 49 HD13 LEU 49 4.543 6.529 -12.261 392 HD21 LEU 49 HD21 LEU 49 3.160 4.830 -13.274 393 HD22 LEU 49 HD22 LEU 49 3.835 3.284 -13.823 394 HD23 LEU 49 HD23 LEU 49 4.161 4.765 -14.754 395 H ILE 50 H ILE 50 9.026 3.118 -13.997 396 HA ILE 50 HA ILE 50 9.246 2.214 -16.511 397 HB ILE 50 HB ILE 50 11.360 2.376 -14.336 398 HG12 ILE 50 HG12 ILE 50 11.251 4.079 -16.847 399 HG13 ILE 50 HG13 ILE 50 10.141 4.431 -15.556 400 HG21 ILE 50 HG21 ILE 50 11.775 1.665 -17.261 401 HG22 ILE 50 HG22 ILE 50 13.092 2.263 -16.224 402 HG23 ILE 50 HG23 ILE 50 12.289 0.743 -15.848 403 HD11 ILE 50 HD11 ILE 50 12.182 5.805 -15.315 404 HD12 ILE 50 HD12 ILE 50 12.180 4.637 -13.995 405 HD13 ILE 50 HD13 ILE 50 13.212 4.375 -15.406 406 H ASP 51 H ASP 51 10.043 0.180 -13.620 407 HA ASP 51 HA ASP 51 10.983 -2.028 -14.923 408 HB2 ASP 51 HB2 ASP 51 10.609 -1.540 -12.374 409 HB3 ASP 51 HB3 ASP 51 9.027 -2.252 -12.569 410 H PHE 52 H PHE 52 7.567 -1.153 -14.569 411 HA PHE 52 HA PHE 52 6.736 -3.663 -15.955 412 HB2 PHE 52 HB2 PHE 52 5.283 -1.394 -14.588 413 HB3 PHE 52 HB3 PHE 52 4.449 -2.541 -15.603 414 HD1 PHE 52 HD1 PHE 52 6.816 -2.571 -12.646 415 HD2 PHE 52 HD2 PHE 52 3.487 -4.437 -14.668 416 HE1 PHE 52 HE1 PHE 52 6.552 -4.174 -10.758 417 HE2 PHE 52 HE2 PHE 52 3.192 -5.971 -12.757 418 HZ PHE 52 HZ PHE 52 4.697 -5.811 -10.776 419 H LEU 53 H LEU 53 7.139 -0.157 -16.494 420 HA LEU 53 HA LEU 53 5.541 0.038 -18.841 421 HB2 LEU 53 HB2 LEU 53 8.050 1.588 -18.167 422 HB3 LEU 53 HB3 LEU 53 6.927 2.026 -19.414 423 HG LEU 53 HG LEU 53 6.805 2.487 -16.526 424 HD11 LEU 53 HD11 LEU 53 5.734 4.479 -17.114 425 HD12 LEU 53 HD12 LEU 53 5.557 3.908 -18.789 426 HD13 LEU 53 HD13 LEU 53 7.162 4.260 -18.118 427 HD21 LEU 53 HD21 LEU 53 4.842 1.024 -16.576 428 HD22 LEU 53 HD22 LEU 53 4.206 1.906 -17.986 429 HD23 LEU 53 HD23 LEU 53 4.351 2.697 -16.400 430 H GLN 54 H GLN 54 8.956 -0.821 -18.426 431 HA GLN 54 HA GLN 54 9.709 -0.804 -21.116 432 HB2 GLN 54 HB2 GLN 54 10.575 -2.895 -19.075 433 HB3 GLN 54 HB3 GLN 54 11.483 -2.381 -20.485 434 HG2 GLN 54 HG2 GLN 54 11.040 -0.060 -18.840 435 HG3 GLN 54 HG3 GLN 54 11.488 -1.383 -17.775 436 HE21 GLN 54 HE21 GLN 54 12.920 1.113 -18.666 437 HE22 GLN 54 HE22 GLN 54 14.503 0.541 -19.190 438 H GLN 55 H GLN 55 8.087 -3.261 -19.259 439 HA GLN 55 HA GLN 55 7.935 -5.298 -21.311 440 HB2 GLN 55 HB2 GLN 55 6.457 -5.173 -18.639 441 HB3 GLN 55 HB3 GLN 55 6.914 -6.593 -19.575 442 HG2 GLN 55 HG2 GLN 55 9.348 -5.994 -19.167 443 HG3 GLN 55 HG3 GLN 55 8.797 -4.711 -18.090 444 HE21 GLN 55 HE21 GLN 55 8.208 -5.233 -15.979 445 HE22 GLN 55 HE22 GLN 55 8.282 -6.865 -15.347 446 H LEU 56 H LEU 56 5.672 -2.906 -19.868 447 HA LEU 56 HA LEU 56 3.303 -3.765 -21.122 448 HB2 LEU 56 HB2 LEU 56 4.247 -1.300 -19.775 449 HB3 LEU 56 HB3 LEU 56 3.128 -0.970 -21.072 450 HG LEU 56 HG LEU 56 1.610 -2.788 -20.048 451 HD11 LEU 56 HD11 LEU 56 3.328 -2.220 -17.594 452 HD12 LEU 56 HD12 LEU 56 3.281 -3.767 -18.472 453 HD13 LEU 56 HD13 LEU 56 1.836 -3.181 -17.626 454 HD21 LEU 56 HD21 LEU 56 2.100 -0.206 -18.511 455 HD22 LEU 56 HD22 LEU 56 0.602 -1.206 -18.471 456 HD23 LEU 56 HD23 LEU 56 1.101 -0.409 -19.953 457 H ASP 57 H ASP 57 6.004 -1.811 -22.437 458 HA ASP 57 HA ASP 57 4.430 -1.388 -24.935 459 HB2 ASP 57 HB2 ASP 57 5.807 0.386 -23.786 460 HB3 ASP 57 HB3 ASP 57 7.247 -0.476 -24.367 461 H ALA 58 H ALA 58 6.874 -3.457 -23.619 462 HA ALA 58 HA ALA 58 8.162 -5.112 -24.356 463 HB1 ALA 58 HB1 ALA 58 5.767 -5.451 -26.179 464 HB2 ALA 58 HB2 ALA 58 7.038 -6.676 -25.996 465 HB3 ALA 58 HB3 ALA 58 6.076 -6.190 -24.589 466 H LYS 59 H LYS 59 8.854 -2.534 -25.552 467 HA LYS 59 HA LYS 59 10.483 -3.574 -27.764 468 HB2 LYS 59 HB2 LYS 59 8.463 -2.458 -28.771 469 HB3 LYS 59 HB3 LYS 59 8.816 -1.014 -27.824 470 HG2 LYS 59 HG2 LYS 59 9.594 -0.588 -30.021 471 HG3 LYS 59 HG3 LYS 59 11.023 -0.815 -29.042 472 HD2 LYS 59 HD2 LYS 59 10.583 -3.398 -29.974 473 HD3 LYS 59 HD3 LYS 59 9.860 -2.450 -31.254 474 HE2 LYS 59 HE2 LYS 59 12.743 -2.604 -30.376 475 HE3 LYS 59 HE3 LYS 59 12.056 -2.821 -31.981 476 HZ1 LYS 59 HZ1 LYS 59 13.087 -0.789 -32.052 477 HZ2 LYS 59 HZ2 LYS 59 12.631 -0.330 -30.565 478 HZ3 LYS 59 HZ3 LYS 59 11.534 -0.338 -31.824 479 H GLU 60 H GLU 60 12.471 -2.439 -27.968 480 HA GLU 60 HA GLU 60 13.201 -0.274 -26.224 481 HB2 GLU 60 HB2 GLU 60 14.974 -1.501 -25.105 482 HB3 GLU 60 HB3 GLU 60 13.449 -2.288 -24.775 483 HG2 GLU 60 HG2 GLU 60 14.028 -3.942 -26.663 484 HG3 GLU 60 HG3 GLU 60 15.649 -3.232 -26.647 485 H GLU 61 H GLU 61 15.841 -0.122 -26.730 486 HA GLU 61 HA GLU 61 16.658 -1.077 -29.269 487 HB2 GLU 61 HB2 GLU 61 15.062 1.258 -29.454 488 HB3 GLU 61 HB3 GLU 61 16.707 1.862 -29.555 489 HG2 GLU 61 HG2 GLU 61 15.481 -0.334 -31.289 490 HG3 GLU 61 HG3 GLU 61 15.736 1.333 -31.772 491 H THR 62 H THR 62 18.796 0.342 -29.872 492 HA THR 62 HA THR 62 20.400 0.459 -27.382 493 HB THR 62 HB THR 62 20.849 -1.066 -29.493 494 HG1 THR 62 HG1 THR 62 22.218 -0.985 -27.805 495 HG21 THR 62 HG21 THR 62 20.814 0.830 -31.161 496 HG22 THR 62 HG22 THR 62 22.311 -0.122 -31.183 497 HG23 THR 62 HG23 THR 62 22.298 1.458 -30.411 498 H GLN 63 H GLN 63 22.279 2.233 -27.723 499 HA GLN 63 HA GLN 63 21.026 4.733 -28.751 500 HB2 GLN 63 HB2 GLN 63 21.870 5.930 -26.889 501 HB3 GLN 63 HB3 GLN 63 20.893 4.595 -26.332 502 HG2 GLN 63 HG2 GLN 63 22.537 4.248 -24.854 503 HG3 GLN 63 HG3 GLN 63 23.328 3.388 -26.153 504 HE21 GLN 63 HE21 GLN 63 25.550 3.867 -25.645 505 HE22 GLN 63 HE22 GLN 63 26.097 5.530 -25.440 Start of MODEL 11 1 H1 MET 1 H MET 1 2.836 -2.463 -0.351 2 HA MET 1 HA MET 1 3.561 -0.727 -1.996 3 HB2 MET 1 HB2 MET 1 4.581 -2.263 -3.614 4 HB3 MET 1 HB3 MET 1 4.852 -2.748 -1.948 5 HG2 MET 1 HG2 MET 1 3.079 -4.462 -2.147 6 HG3 MET 1 HG3 MET 1 2.786 -3.991 -3.822 7 HE1 MET 1 HE1 MET 1 5.971 -5.142 -5.688 8 HE2 MET 1 HE2 MET 1 4.235 -4.813 -5.896 9 HE3 MET 1 HE3 MET 1 5.318 -3.558 -5.257 10 H LYS 2 H LYS 2 2.915 0.510 -3.761 11 HA LYS 2 HA LYS 2 0.397 -0.412 -5.125 12 HB2 LYS 2 HB2 LYS 2 0.417 1.920 -4.085 13 HB3 LYS 2 HB3 LYS 2 1.665 2.343 -5.292 14 HG2 LYS 2 HG2 LYS 2 0.122 1.725 -7.105 15 HG3 LYS 2 HG3 LYS 2 -1.124 1.300 -5.919 16 HD2 LYS 2 HD2 LYS 2 -0.775 3.803 -5.114 17 HD3 LYS 2 HD3 LYS 2 -0.014 4.017 -6.669 18 HE2 LYS 2 HE2 LYS 2 -2.334 4.683 -6.798 19 HE3 LYS 2 HE3 LYS 2 -2.057 3.265 -7.818 20 HZ1 LYS 2 HZ1 LYS 2 -3.189 1.910 -6.171 21 HZ2 LYS 2 HZ2 LYS 2 -4.135 3.192 -6.500 22 HZ3 LYS 2 HZ3 LYS 2 -3.287 3.141 -5.112 23 H ASN 3 H ASN 3 0.946 -1.725 -6.625 24 HA ASN 3 HA ASN 3 3.475 -1.830 -7.972 25 HB2 ASN 3 HB2 ASN 3 2.088 -3.239 -9.619 26 HB3 ASN 3 HB3 ASN 3 2.367 -3.857 -8.025 27 HD21 ASN 3 HD21 ASN 3 0.050 -4.023 -10.268 28 HD22 ASN 3 HD22 ASN 3 -1.400 -3.781 -9.321 29 H ALA 4 H ALA 4 3.854 -1.400 -10.118 30 HA ALA 4 HA ALA 4 3.474 1.134 -11.051 31 HB1 ALA 4 HB1 ALA 4 5.171 -0.440 -11.835 32 HB2 ALA 4 HB2 ALA 4 3.937 -1.386 -12.670 33 HB3 ALA 4 HB3 ALA 4 4.293 0.271 -13.210 34 H ALA 5 H ALA 5 1.601 -1.749 -11.990 35 HA ALA 5 HA ALA 5 0.034 -0.643 -13.954 36 HB1 ALA 5 HB1 ALA 5 -1.570 -2.419 -13.511 37 HB2 ALA 5 HB2 ALA 5 0.065 -3.070 -13.238 38 HB3 ALA 5 HB3 ALA 5 -0.961 -2.617 -11.859 39 H GLN 6 H GLN 6 -0.594 -0.594 -10.412 40 HA GLN 6 HA GLN 6 -3.100 0.777 -10.564 41 HB2 GLN 6 HB2 GLN 6 -1.027 0.435 -8.370 42 HB3 GLN 6 HB3 GLN 6 -2.455 1.424 -8.177 43 HG2 GLN 6 HG2 GLN 6 -3.896 -0.474 -8.647 44 HG3 GLN 6 HG3 GLN 6 -2.468 -1.540 -8.659 45 HE21 GLN 6 HE21 GLN 6 -1.310 -1.747 -6.668 46 HE22 GLN 6 HE22 GLN 6 -2.013 -1.368 -5.108 47 H ILE 7 H ILE 7 0.279 1.892 -10.452 48 HA ILE 7 HA ILE 7 -0.390 4.634 -9.871 49 HB ILE 7 HB ILE 7 2.178 3.745 -11.247 50 HG12 ILE 7 HG12 ILE 7 1.285 3.125 -8.449 51 HG13 ILE 7 HG13 ILE 7 2.237 2.197 -9.582 52 HG21 ILE 7 HG21 ILE 7 1.554 6.190 -10.840 53 HG22 ILE 7 HG22 ILE 7 1.568 5.849 -9.105 54 HG23 ILE 7 HG23 ILE 7 3.056 5.714 -10.089 55 HD11 ILE 7 HD11 ILE 7 4.152 3.711 -9.274 56 HD12 ILE 7 HD12 ILE 7 3.244 4.565 -7.989 57 HD13 ILE 7 HD13 ILE 7 3.679 2.858 -7.784 58 H VAL 8 H VAL 8 0.254 2.767 -12.873 59 HA VAL 8 HA VAL 8 -0.090 5.058 -14.586 60 HB VAL 8 HB VAL 8 -0.423 2.125 -15.297 61 HG11 VAL 8 HG11 VAL 8 -1.510 3.539 -16.989 62 HG12 VAL 8 HG12 VAL 8 -0.030 4.509 -17.141 63 HG13 VAL 8 HG13 VAL 8 -0.041 2.797 -17.610 64 HG21 VAL 8 HG21 VAL 8 1.808 2.469 -14.531 65 HG22 VAL 8 HG22 VAL 8 1.846 2.381 -16.288 66 HG23 VAL 8 HG23 VAL 8 1.943 3.962 -15.469 67 H ASP 9 H ASP 9 -2.355 2.602 -13.348 68 HA ASP 9 HA ASP 9 -4.687 3.334 -14.700 69 HB2 ASP 9 HB2 ASP 9 -3.979 1.977 -12.135 70 HB3 ASP 9 HB3 ASP 9 -5.593 2.625 -12.223 71 H GLU 10 H GLU 10 -3.291 4.728 -11.763 72 HA GLU 10 HA GLU 10 -5.399 6.569 -11.087 73 HB2 GLU 10 HB2 GLU 10 -2.410 6.437 -10.545 74 HB3 GLU 10 HB3 GLU 10 -3.346 7.815 -10.036 75 HG2 GLU 10 HG2 GLU 10 -4.096 4.955 -9.280 76 HG3 GLU 10 HG3 GLU 10 -2.963 5.917 -8.342 77 H ALA 11 H ALA 11 -2.567 6.805 -13.234 78 HA ALA 11 HA ALA 11 -2.980 9.605 -13.837 79 HB1 ALA 11 HB1 ALA 11 -0.870 8.000 -13.992 80 HB2 ALA 11 HB2 ALA 11 -1.474 7.688 -15.632 81 HB3 ALA 11 HB3 ALA 11 -1.028 9.333 -15.121 82 H LEU 12 H LEU 12 -3.865 6.523 -15.343 83 HA LEU 12 HA LEU 12 -4.963 7.443 -17.780 84 HB2 LEU 12 HB2 LEU 12 -4.634 5.126 -17.592 85 HB3 LEU 12 HB3 LEU 12 -5.356 5.057 -16.002 86 HG LEU 12 HG LEU 12 -7.623 5.439 -16.979 87 HD11 LEU 12 HD11 LEU 12 -6.178 4.939 -19.636 88 HD12 LEU 12 HD12 LEU 12 -6.946 6.470 -19.162 89 HD13 LEU 12 HD13 LEU 12 -7.939 5.029 -19.390 90 HD21 LEU 12 HD21 LEU 12 -6.835 3.219 -16.364 91 HD22 LEU 12 HD22 LEU 12 -6.026 3.033 -17.938 92 HD23 LEU 12 HD23 LEU 12 -7.802 3.133 -17.841 93 H ASN 13 H ASN 13 -6.287 7.356 -14.523 94 HA ASN 13 HA ASN 13 -8.997 7.977 -15.024 95 HB2 ASN 13 HB2 ASN 13 -7.521 7.429 -12.835 96 HB3 ASN 13 HB3 ASN 13 -7.554 9.190 -12.696 97 HD21 ASN 13 HD21 ASN 13 -8.988 6.674 -11.314 98 HD22 ASN 13 HD22 ASN 13 -10.659 7.250 -11.235 99 H GLN 14 H GLN 14 -6.129 10.003 -15.228 100 HA GLN 14 HA GLN 14 -7.743 12.474 -15.454 101 HB2 GLN 14 HB2 GLN 14 -4.752 12.447 -15.092 102 HB3 GLN 14 HB3 GLN 14 -5.967 13.677 -14.696 103 HG2 GLN 14 HG2 GLN 14 -6.777 12.007 -12.938 104 HG3 GLN 14 HG3 GLN 14 -5.308 11.106 -13.240 105 HE21 GLN 14 HE21 GLN 14 -4.449 11.375 -11.172 106 HE22 GLN 14 HE22 GLN 14 -3.746 12.856 -10.651 107 H GLY 15 H GLY 15 -6.911 10.178 -17.396 108 HA2 GLY 15 HA2 GLY 15 -6.629 10.056 -19.690 109 HA3 GLY 15 HA3 GLY 15 -6.753 11.817 -19.752 110 H ILE 16 H ILE 16 -4.165 10.180 -17.870 111 HA ILE 16 HA ILE 16 -2.238 10.994 -19.975 112 HB ILE 16 HB ILE 16 -2.031 12.636 -18.392 113 HG12 ILE 16 HG12 ILE 16 0.056 11.491 -19.140 114 HG13 ILE 16 HG13 ILE 16 0.146 12.670 -17.853 115 HG21 ILE 16 HG21 ILE 16 -2.181 10.744 -16.135 116 HG22 ILE 16 HG22 ILE 16 -1.672 12.440 -16.010 117 HG23 ILE 16 HG23 ILE 16 -3.304 12.027 -16.564 118 HD11 ILE 16 HD11 ILE 16 0.286 10.854 -16.200 119 HD12 ILE 16 HD12 ILE 16 0.244 9.675 -17.529 120 HD13 ILE 16 HD13 ILE 16 1.584 10.825 -17.397 121 H THR 17 H THR 17 -0.679 9.538 -20.516 122 HA THR 17 HA THR 17 -0.874 6.821 -19.301 123 HB THR 17 HB THR 17 -0.177 7.700 -22.165 124 HG1 THR 17 HG1 THR 17 -2.228 7.918 -22.315 125 HG21 THR 17 HG21 THR 17 0.786 5.490 -21.636 126 HG22 THR 17 HG22 THR 17 -0.562 5.321 -22.758 127 HG23 THR 17 HG23 THR 17 -0.795 4.930 -21.040 128 H LEU 18 H LEU 18 1.119 5.664 -19.147 129 HA LEU 18 HA LEU 18 3.510 7.416 -18.990 130 HB2 LEU 18 HB2 LEU 18 2.787 5.075 -17.072 131 HB3 LEU 18 HB3 LEU 18 4.294 5.971 -17.184 132 HG LEU 18 HG LEU 18 3.065 6.782 -15.365 133 HD11 LEU 18 HD11 LEU 18 3.042 9.131 -15.753 134 HD12 LEU 18 HD12 LEU 18 2.827 8.881 -17.486 135 HD13 LEU 18 HD13 LEU 18 4.375 8.434 -16.707 136 HD21 LEU 18 HD21 LEU 18 0.786 6.257 -15.994 137 HD22 LEU 18 HD22 LEU 18 0.751 7.595 -17.132 138 HD23 LEU 18 HD23 LEU 18 0.991 7.917 -15.431 139 H PHE 19 H PHE 19 5.259 6.805 -20.101 140 HA PHE 19 HA PHE 19 5.388 4.042 -21.232 141 HB2 PHE 19 HB2 PHE 19 4.711 6.453 -22.632 142 HB3 PHE 19 HB3 PHE 19 6.314 6.031 -23.133 143 HD1 PHE 19 HD1 PHE 19 2.779 4.921 -22.976 144 HD2 PHE 19 HD2 PHE 19 6.682 4.113 -24.627 145 HE1 PHE 19 HE1 PHE 19 1.755 3.501 -24.726 146 HE2 PHE 19 HE2 PHE 19 5.656 2.700 -26.366 147 HZ PHE 19 HZ PHE 19 3.192 2.402 -26.446 148 H VAL 20 H VAL 20 7.630 3.695 -22.344 149 HA VAL 20 HA VAL 20 9.793 5.163 -20.935 150 HB VAL 20 HB VAL 20 9.279 2.173 -20.913 151 HG11 VAL 20 HG11 VAL 20 11.648 1.725 -20.397 152 HG12 VAL 20 HG12 VAL 20 11.482 2.242 -22.065 153 HG13 VAL 20 HG13 VAL 20 12.101 3.393 -20.844 154 HG21 VAL 20 HG21 VAL 20 8.920 3.749 -19.012 155 HG22 VAL 20 HG22 VAL 20 10.032 2.408 -18.705 156 HG23 VAL 20 HG23 VAL 20 10.666 4.050 -19.013 157 H ALA 21 H ALA 21 11.517 5.694 -21.987 158 HA ALA 21 HA ALA 21 12.486 4.610 -24.483 159 HB1 ALA 21 HB1 ALA 21 12.390 6.904 -25.561 160 HB2 ALA 21 HB2 ALA 21 10.854 6.036 -25.539 161 HB3 ALA 21 HB3 ALA 21 11.144 7.343 -24.381 162 H ASP 22 H ASP 22 14.639 5.348 -24.781 163 HA ASP 22 HA ASP 22 16.687 5.988 -24.044 164 HB2 ASP 22 HB2 ASP 22 15.213 8.145 -24.392 165 HB3 ASP 22 HB3 ASP 22 15.375 8.349 -22.662 166 H ASN 23 H ASN 23 15.096 4.215 -22.235 167 HA ASN 23 HA ASN 23 15.173 3.266 -20.214 168 HB2 ASN 23 HB2 ASN 23 17.630 3.291 -20.718 169 HB3 ASN 23 HB3 ASN 23 17.777 4.803 -19.829 170 HD21 ASN 23 HD21 ASN 23 16.704 1.423 -19.383 171 HD22 ASN 23 HD22 ASN 23 17.734 1.281 -17.997 172 H ARG 24 H ARG 24 14.072 6.177 -20.539 173 HA ARG 24 HA ARG 24 13.986 6.857 -17.630 174 HB2 ARG 24 HB2 ARG 24 14.161 9.087 -18.074 175 HB3 ARG 24 HB3 ARG 24 15.189 8.422 -19.346 176 HG2 ARG 24 HG2 ARG 24 13.317 8.676 -20.946 177 HG3 ARG 24 HG3 ARG 24 12.328 9.426 -19.689 178 HD2 ARG 24 HD2 ARG 24 14.959 10.440 -20.808 179 HD3 ARG 24 HD3 ARG 24 13.354 11.052 -21.232 180 HE ARG 24 HE ARG 24 13.305 11.405 -18.569 181 HH11 ARG 24 HH11 ARG 24 15.536 12.535 -21.145 182 HH12 ARG 24 HH12 ARG 24 16.324 13.657 -20.093 183 HH21 ARG 24 HH21 ARG 24 14.447 12.991 -17.217 184 HH22 ARG 24 HH22 ARG 24 15.722 13.929 -17.967 185 H LEU 25 H LEU 25 12.066 7.922 -16.842 186 HA LEU 25 HA LEU 25 9.636 6.561 -17.733 187 HB2 LEU 25 HB2 LEU 25 10.240 6.953 -15.299 188 HB3 LEU 25 HB3 LEU 25 10.177 8.665 -15.572 189 HG LEU 25 HG LEU 25 8.260 7.659 -14.352 190 HD11 LEU 25 HD11 LEU 25 7.125 8.918 -16.823 191 HD12 LEU 25 HD12 LEU 25 8.090 9.848 -15.666 192 HD13 LEU 25 HD13 LEU 25 6.600 9.032 -15.148 193 HD21 LEU 25 HD21 LEU 25 6.487 6.475 -15.500 194 HD22 LEU 25 HD22 LEU 25 7.999 5.572 -15.625 195 HD23 LEU 25 HD23 LEU 25 7.391 6.500 -17.017 196 H GLN 26 H GLN 26 8.136 7.487 -19.161 197 HA GLN 26 HA GLN 26 8.165 10.426 -19.532 198 HB2 GLN 26 HB2 GLN 26 8.350 8.250 -21.625 199 HB3 GLN 26 HB3 GLN 26 7.534 9.770 -21.962 200 HG2 GLN 26 HG2 GLN 26 9.391 10.836 -22.339 201 HG3 GLN 26 HG3 GLN 26 10.024 10.491 -20.738 202 HE21 GLN 26 HE21 GLN 26 10.380 7.580 -21.105 203 HE22 GLN 26 HE22 GLN 26 11.773 7.546 -22.156 204 H TYR 27 H TYR 27 6.149 11.059 -20.733 205 HA TYR 27 HA TYR 27 3.802 9.495 -20.014 206 HB2 TYR 27 HB2 TYR 27 2.926 11.850 -19.056 207 HB3 TYR 27 HB3 TYR 27 3.720 10.684 -18.032 208 HD1 TYR 27 HD1 TYR 27 6.023 10.945 -17.268 209 HD2 TYR 27 HD2 TYR 27 4.090 13.980 -19.636 210 HE1 TYR 27 HE1 TYR 27 7.963 12.455 -16.905 211 HE2 TYR 27 HE2 TYR 27 5.960 15.528 -19.199 212 HH TYR 27 HH TYR 27 8.930 14.394 -18.304 213 H GLU 28 H GLU 28 2.067 9.992 -21.208 214 HA GLU 28 HA GLU 28 2.195 12.172 -23.253 215 HB2 GLU 28 HB2 GLU 28 2.840 9.932 -24.258 216 HB3 GLU 28 HB3 GLU 28 1.230 9.347 -23.828 217 HG2 GLU 28 HG2 GLU 28 0.288 11.282 -25.188 218 HG3 GLU 28 HG3 GLU 28 1.930 11.618 -25.749 219 H THR 29 H THR 29 0.388 13.434 -23.067 220 HA THR 29 HA THR 29 -2.173 12.225 -22.291 221 HB THR 29 HB THR 29 -1.061 13.026 -20.231 222 HG1 THR 29 HG1 THR 29 -3.371 12.984 -20.452 223 HG21 THR 29 HG21 THR 29 -1.011 15.399 -19.636 224 HG22 THR 29 HG22 THR 29 -1.423 15.849 -21.296 225 HG23 THR 29 HG23 THR 29 0.115 15.028 -20.941 226 H SER 30 H SER 30 -3.902 14.068 -22.359 227 HA SER 30 HA SER 30 -3.675 15.555 -24.916 228 HB2 SER 30 HB2 SER 30 -6.160 15.173 -24.936 229 HB3 SER 30 HB3 SER 30 -5.238 13.666 -24.989 230 HG SER 30 HG SER 30 -7.031 13.753 -23.468 231 H ARG 31 H ARG 31 -3.558 16.011 -21.620 232 HA ARG 31 HA ARG 31 -5.518 18.082 -21.152 233 HB2 ARG 31 HB2 ARG 31 -2.896 17.446 -19.724 234 HB3 ARG 31 HB3 ARG 31 -4.162 18.525 -19.115 235 HG2 ARG 31 HG2 ARG 31 -5.757 16.649 -18.984 236 HG3 ARG 31 HG3 ARG 31 -4.579 15.560 -19.669 237 HD2 ARG 31 HD2 ARG 31 -4.089 15.028 -17.561 238 HD3 ARG 31 HD3 ARG 31 -3.127 16.516 -17.545 239 HE ARG 31 HE ARG 31 -5.794 17.200 -16.887 240 HH11 ARG 31 HH11 ARG 31 -3.302 15.172 -15.375 241 HH12 ARG 31 HH12 ARG 31 -4.180 15.108 -13.859 242 HH21 ARG 31 HH21 ARG 31 -6.834 17.118 -14.974 243 HH22 ARG 31 HH22 ARG 31 -6.256 16.158 -13.651 244 H ASP 32 H ASP 32 -5.040 20.311 -20.759 245 HA ASP 32 HA ASP 32 -3.691 21.606 -22.909 246 HB2 ASP 32 HB2 ASP 32 -4.609 22.597 -20.173 247 HB3 ASP 32 HB3 ASP 32 -3.831 23.660 -21.347 248 H ASN 33 H ASN 33 -2.634 20.620 -19.675 249 HA ASN 33 HA ASN 33 0.127 20.613 -20.325 250 HB2 ASN 33 HB2 ASN 33 -0.302 23.100 -19.667 251 HB3 ASN 33 HB3 ASN 33 -0.703 22.450 -18.054 252 HD21 ASN 33 HD21 ASN 33 1.145 23.171 -16.796 253 HD22 ASN 33 HD22 ASN 33 2.746 22.651 -17.220 254 H ILE 34 H ILE 34 1.286 19.681 -18.397 255 HA ILE 34 HA ILE 34 -0.557 18.002 -16.830 256 HB ILE 34 HB ILE 34 1.170 16.957 -18.193 257 HG12 ILE 34 HG12 ILE 34 2.208 15.519 -16.204 258 HG13 ILE 34 HG13 ILE 34 1.193 16.506 -15.167 259 HG21 ILE 34 HG21 ILE 34 3.506 16.956 -17.613 260 HG22 ILE 34 HG22 ILE 34 2.989 18.621 -17.900 261 HG23 ILE 34 HG23 ILE 34 3.198 18.029 -16.227 262 HD11 ILE 34 HD11 ILE 34 -0.824 15.762 -16.497 263 HD12 ILE 34 HD12 ILE 34 0.247 14.839 -17.553 264 HD13 ILE 34 HD13 ILE 34 0.079 14.379 -15.843 265 HA PRO 35 HA PRO 35 0.303 20.693 -13.367 266 HB2 PRO 35 HB2 PRO 35 -0.619 19.002 -11.354 267 HB3 PRO 35 HB3 PRO 35 -1.700 20.043 -12.379 268 HG2 PRO 35 HG2 PRO 35 -0.874 17.197 -12.502 269 HG3 PRO 35 HG3 PRO 35 -2.539 17.813 -12.758 270 HD2 PRO 35 HD2 PRO 35 -0.875 17.050 -14.757 271 HD3 PRO 35 HD3 PRO 35 -1.956 18.445 -15.011 272 H GLU 36 H GLU 36 1.812 20.785 -11.592 273 HA GLU 36 HA GLU 36 4.096 19.084 -11.947 274 HB2 GLU 36 HB2 GLU 36 5.036 20.177 -10.018 275 HB3 GLU 36 HB3 GLU 36 4.296 21.369 -11.128 276 HG2 GLU 36 HG2 GLU 36 2.373 21.600 -9.631 277 HG3 GLU 36 HG3 GLU 36 2.982 20.347 -8.572 278 H GLU 37 H GLU 37 1.324 18.866 -9.804 279 HA GLU 37 HA GLU 37 2.556 17.179 -7.829 280 HB2 GLU 37 HB2 GLU 37 0.350 16.670 -7.067 281 HB3 GLU 37 HB3 GLU 37 0.463 18.403 -7.436 282 HG2 GLU 37 HG2 GLU 37 -0.491 17.515 -9.801 283 HG3 GLU 37 HG3 GLU 37 -1.101 16.225 -8.768 284 H LEU 38 H LEU 38 0.858 16.518 -10.902 285 HA LEU 38 HA LEU 38 0.867 13.686 -10.689 286 HB2 LEU 38 HB2 LEU 38 0.699 15.713 -12.948 287 HB3 LEU 38 HB3 LEU 38 0.933 14.058 -13.374 288 HG LEU 38 HG LEU 38 -1.450 15.078 -13.329 289 HD11 LEU 38 HD11 LEU 38 -1.109 12.403 -11.988 290 HD12 LEU 38 HD12 LEU 38 -0.818 12.667 -13.731 291 HD13 LEU 38 HD13 LEU 38 -2.421 12.923 -13.059 292 HD21 LEU 38 HD21 LEU 38 -2.735 14.758 -11.271 293 HD22 LEU 38 HD22 LEU 38 -1.440 15.889 -10.971 294 HD23 LEU 38 HD23 LEU 38 -1.295 14.224 -10.404 295 H LEU 39 H LEU 39 3.101 16.052 -12.145 296 HA LEU 39 HA LEU 39 5.002 14.146 -13.105 297 HB2 LEU 39 HB2 LEU 39 5.394 17.028 -12.197 298 HB3 LEU 39 HB3 LEU 39 6.666 16.058 -12.927 299 HG LEU 39 HG LEU 39 4.031 16.768 -14.295 300 HD11 LEU 39 HD11 LEU 39 5.449 18.285 -15.665 301 HD12 LEU 39 HD12 LEU 39 6.849 17.873 -14.663 302 HD13 LEU 39 HD13 LEU 39 5.471 18.739 -13.959 303 HD21 LEU 39 HD21 LEU 39 4.889 14.683 -15.220 304 HD22 LEU 39 HD22 LEU 39 6.539 15.351 -15.312 305 HD23 LEU 39 HD23 LEU 39 5.246 15.976 -16.352 306 H ASN 40 H ASN 40 4.821 15.909 -10.006 307 HA ASN 40 HA ASN 40 7.107 14.809 -8.779 308 HB2 ASN 40 HB2 ASN 40 4.640 16.246 -7.833 309 HB3 ASN 40 HB3 ASN 40 5.559 15.341 -6.631 310 HD21 ASN 40 HD21 ASN 40 5.670 18.023 -8.919 311 HD22 ASN 40 HD22 ASN 40 7.193 18.721 -8.314 312 H GLU 41 H GLU 41 3.804 13.525 -8.934 313 HA GLU 41 HA GLU 41 4.192 11.360 -7.114 314 HB2 GLU 41 HB2 GLU 41 2.227 12.169 -9.200 315 HB3 GLU 41 HB3 GLU 41 2.212 10.483 -8.673 316 HG2 GLU 41 HG2 GLU 41 2.134 11.444 -6.258 317 HG3 GLU 41 HG3 GLU 41 1.680 12.974 -7.005 318 H TRP 42 H TRP 42 4.042 11.417 -10.744 319 HA TRP 42 HA TRP 42 4.962 8.754 -11.018 320 HB2 TRP 42 HB2 TRP 42 5.412 10.934 -13.031 321 HB3 TRP 42 HB3 TRP 42 5.214 9.210 -13.314 322 HD1 TRP 42 HD1 TRP 42 3.508 11.551 -14.707 323 HE1 TRP 42 HE1 TRP 42 0.951 11.503 -14.566 324 HE3 TRP 42 HE3 TRP 42 2.894 8.526 -10.584 325 HZ2 TRP 42 HZ2 TRP 42 -1.083 10.356 -12.873 326 HZ3 TRP 42 HZ3 TRP 42 0.642 8.067 -9.715 327 HH2 TRP 42 HH2 TRP 42 -1.353 8.941 -10.887 328 H LYS 43 H LYS 43 6.871 11.736 -10.555 329 HA LYS 43 HA LYS 43 9.411 10.617 -11.276 330 HB2 LYS 43 HB2 LYS 43 8.376 12.956 -9.648 331 HB3 LYS 43 HB3 LYS 43 10.107 12.591 -9.687 332 HG2 LYS 43 HG2 LYS 43 10.168 12.858 -12.090 333 HG3 LYS 43 HG3 LYS 43 8.446 12.952 -12.195 334 HD2 LYS 43 HD2 LYS 43 9.042 15.162 -12.400 335 HD3 LYS 43 HD3 LYS 43 8.554 15.042 -10.704 336 HE2 LYS 43 HE2 LYS 43 10.992 14.802 -10.087 337 HE3 LYS 43 HE3 LYS 43 11.399 15.020 -11.797 338 HZ1 LYS 43 HZ1 LYS 43 10.127 16.970 -10.002 339 HZ2 LYS 43 HZ2 LYS 43 10.196 17.191 -11.637 340 HZ3 LYS 43 HZ3 LYS 43 11.576 17.113 -10.722 341 H TYR 44 H TYR 44 7.393 10.514 -8.371 342 HA TYR 44 HA TYR 44 9.453 9.699 -6.581 343 HB2 TYR 44 HB2 TYR 44 7.125 10.577 -6.035 344 HB3 TYR 44 HB3 TYR 44 6.522 8.954 -6.336 345 HD1 TYR 44 HD1 TYR 44 8.089 11.163 -3.943 346 HD2 TYR 44 HD2 TYR 44 7.536 7.004 -4.956 347 HE1 TYR 44 HE1 TYR 44 8.532 10.543 -1.614 348 HE2 TYR 44 HE2 TYR 44 8.000 6.360 -2.667 349 HH TYR 44 HH TYR 44 8.646 7.083 -0.585 350 H TYR 45 H TYR 45 6.926 7.628 -8.205 351 HA TYR 45 HA TYR 45 8.563 5.232 -7.719 352 HB2 TYR 45 HB2 TYR 45 5.701 5.639 -8.713 353 HB3 TYR 45 HB3 TYR 45 6.489 4.096 -8.520 354 HD1 TYR 45 HD1 TYR 45 7.029 3.066 -6.383 355 HD2 TYR 45 HD2 TYR 45 5.028 6.885 -6.589 356 HE1 TYR 45 HE1 TYR 45 6.434 2.883 -4.008 357 HE2 TYR 45 HE2 TYR 45 4.434 6.713 -4.229 358 HH TYR 45 HH TYR 45 5.447 3.996 -2.117 359 H ARG 46 H ARG 46 9.423 7.322 -9.840 360 HA ARG 46 HA ARG 46 8.646 6.502 -12.354 361 HB2 ARG 46 HB2 ARG 46 10.266 7.767 -13.237 362 HB3 ARG 46 HB3 ARG 46 10.190 8.486 -11.659 363 HG2 ARG 46 HG2 ARG 46 12.274 6.393 -12.463 364 HG3 ARG 46 HG3 ARG 46 12.486 8.114 -12.718 365 HD2 ARG 46 HD2 ARG 46 12.382 8.637 -10.447 366 HD3 ARG 46 HD3 ARG 46 11.787 7.058 -9.984 367 HE ARG 46 HE ARG 46 13.932 6.084 -10.268 368 HH11 ARG 46 HH11 ARG 46 13.984 9.608 -10.402 369 HH12 ARG 46 HH12 ARG 46 15.716 9.729 -10.380 370 HH21 ARG 46 HH21 ARG 46 16.156 6.197 -10.147 371 HH22 ARG 46 HH22 ARG 46 16.979 7.723 -10.026 372 H GLN 47 H GLN 47 11.139 4.989 -10.271 373 HA GLN 47 HA GLN 47 12.022 3.180 -12.312 374 HB2 GLN 47 HB2 GLN 47 13.075 3.978 -10.025 375 HB3 GLN 47 HB3 GLN 47 12.206 2.616 -9.342 376 HG2 GLN 47 HG2 GLN 47 14.442 2.629 -11.398 377 HG3 GLN 47 HG3 GLN 47 14.444 1.906 -9.799 378 HE21 GLN 47 HE21 GLN 47 13.831 1.349 -13.173 379 HE22 GLN 47 HE22 GLN 47 13.194 -0.268 -12.989 380 H ASP 48 H ASP 48 9.598 2.945 -9.597 381 HA ASP 48 HA ASP 48 9.071 0.184 -9.927 382 HB2 ASP 48 HB2 ASP 48 8.222 2.038 -8.161 383 HB3 ASP 48 HB3 ASP 48 6.796 1.994 -9.199 384 H LEU 49 H LEU 49 7.702 3.056 -11.382 385 HA LEU 49 HA LEU 49 5.738 1.899 -13.076 386 HB2 LEU 49 HB2 LEU 49 7.294 4.505 -13.033 387 HB3 LEU 49 HB3 LEU 49 6.439 4.083 -14.489 388 HG LEU 49 HG LEU 49 4.777 3.872 -12.040 389 HD11 LEU 49 HD11 LEU 49 5.738 6.567 -13.105 390 HD12 LEU 49 HD12 LEU 49 6.027 5.916 -11.470 391 HD13 LEU 49 HD13 LEU 49 4.382 6.329 -11.980 392 HD21 LEU 49 HD21 LEU 49 4.329 5.054 -14.737 393 HD22 LEU 49 HD22 LEU 49 3.132 4.843 -13.427 394 HD23 LEU 49 HD23 LEU 49 3.900 3.420 -14.170 395 H ILE 50 H ILE 50 8.896 3.264 -14.106 396 HA ILE 50 HA ILE 50 9.056 2.358 -16.633 397 HB ILE 50 HB ILE 50 11.233 2.524 -14.504 398 HG12 ILE 50 HG12 ILE 50 11.153 4.273 -16.967 399 HG13 ILE 50 HG13 ILE 50 10.033 4.600 -15.668 400 HG21 ILE 50 HG21 ILE 50 12.954 2.449 -16.402 401 HG22 ILE 50 HG22 ILE 50 12.178 0.928 -15.991 402 HG23 ILE 50 HG23 ILE 50 11.649 1.798 -17.423 403 HD11 ILE 50 HD11 ILE 50 12.128 5.909 -15.343 404 HD12 ILE 50 HD12 ILE 50 12.080 4.667 -14.093 405 HD13 ILE 50 HD13 ILE 50 13.104 4.454 -15.513 406 H ASP 51 H ASP 51 10.089 0.405 -13.819 407 HA ASP 51 HA ASP 51 11.110 -1.812 -15.023 408 HB2 ASP 51 HB2 ASP 51 10.960 -1.254 -12.620 409 HB3 ASP 51 HB3 ASP 51 9.232 -1.527 -12.631 410 H PHE 52 H PHE 52 7.650 -1.111 -14.531 411 HA PHE 52 HA PHE 52 6.809 -3.618 -15.822 412 HB2 PHE 52 HB2 PHE 52 5.778 -2.579 -13.767 413 HB3 PHE 52 HB3 PHE 52 5.298 -1.209 -14.762 414 HD1 PHE 52 HD1 PHE 52 5.026 -4.981 -15.093 415 HD2 PHE 52 HD2 PHE 52 2.991 -1.166 -15.075 416 HE1 PHE 52 HE1 PHE 52 2.861 -6.121 -15.482 417 HE2 PHE 52 HE2 PHE 52 0.836 -2.323 -15.454 418 HZ PHE 52 HZ PHE 52 0.765 -4.785 -15.660 419 H LEU 53 H LEU 53 7.088 -0.160 -16.467 420 HA LEU 53 HA LEU 53 5.451 0.028 -18.812 421 HB2 LEU 53 HB2 LEU 53 7.961 1.610 -18.218 422 HB3 LEU 53 HB3 LEU 53 6.809 2.040 -19.419 423 HG LEU 53 HG LEU 53 6.577 2.281 -16.476 424 HD11 LEU 53 HD11 LEU 53 5.884 4.109 -18.695 425 HD12 LEU 53 HD12 LEU 53 7.352 4.166 -17.690 426 HD13 LEU 53 HD13 LEU 53 5.777 4.460 -16.955 427 HD21 LEU 53 HD21 LEU 53 4.563 1.077 -16.911 428 HD22 LEU 53 HD22 LEU 53 4.170 2.162 -18.282 429 HD23 LEU 53 HD23 LEU 53 4.202 2.769 -16.602 430 H GLN 54 H GLN 54 8.858 -0.859 -18.414 431 HA GLN 54 HA GLN 54 9.578 -0.956 -21.163 432 HB2 GLN 54 HB2 GLN 54 10.507 -2.916 -19.029 433 HB3 GLN 54 HB3 GLN 54 11.374 -2.452 -20.485 434 HG2 GLN 54 HG2 GLN 54 11.013 -0.065 -19.031 435 HG3 GLN 54 HG3 GLN 54 11.313 -1.286 -17.801 436 HE21 GLN 54 HE21 GLN 54 12.964 1.007 -19.051 437 HE22 GLN 54 HE22 GLN 54 14.465 0.223 -19.546 438 H GLN 55 H GLN 55 7.948 -3.280 -19.032 439 HA GLN 55 HA GLN 55 7.896 -5.471 -20.944 440 HB2 GLN 55 HB2 GLN 55 6.066 -5.143 -18.529 441 HB3 GLN 55 HB3 GLN 55 6.500 -6.617 -19.389 442 HG2 GLN 55 HG2 GLN 55 8.917 -6.163 -18.652 443 HG3 GLN 55 HG3 GLN 55 8.239 -4.930 -17.581 444 HE21 GLN 55 HE21 GLN 55 8.832 -8.318 -17.984 445 HE22 GLN 55 HE22 GLN 55 7.992 -8.846 -16.538 446 H LEU 56 H LEU 56 5.627 -2.903 -19.919 447 HA LEU 56 HA LEU 56 3.305 -3.838 -21.206 448 HB2 LEU 56 HB2 LEU 56 4.228 -1.231 -20.126 449 HB3 LEU 56 HB3 LEU 56 3.107 -1.110 -21.470 450 HG LEU 56 HG LEU 56 1.573 -2.724 -20.300 451 HD11 LEU 56 HD11 LEU 56 3.269 -3.683 -18.699 452 HD12 LEU 56 HD12 LEU 56 1.803 -3.061 -17.928 453 HD13 LEU 56 HD13 LEU 56 3.303 -2.116 -17.876 454 HD21 LEU 56 HD21 LEU 56 2.181 -0.104 -18.881 455 HD22 LEU 56 HD22 LEU 56 0.668 -1.030 -18.754 456 HD23 LEU 56 HD23 LEU 56 1.144 -0.327 -20.303 457 H ASP 57 H ASP 57 5.820 -1.621 -22.437 458 HA ASP 57 HA ASP 57 4.670 -1.659 -25.115 459 HB2 ASP 57 HB2 ASP 57 5.861 0.263 -24.065 460 HB3 ASP 57 HB3 ASP 57 7.367 -0.655 -24.180 461 H ALA 58 H ALA 58 7.024 -3.479 -23.340 462 HA ALA 58 HA ALA 58 8.373 -5.182 -23.718 463 HB1 ALA 58 HB1 ALA 58 6.571 -5.795 -26.087 464 HB2 ALA 58 HB2 ALA 58 7.573 -6.944 -25.182 465 HB3 ALA 58 HB3 ALA 58 6.184 -6.170 -24.405 466 H LYS 59 H LYS 59 9.148 -2.619 -25.075 467 HA LYS 59 HA LYS 59 11.408 -3.672 -26.553 468 HB2 LYS 59 HB2 LYS 59 10.959 -2.859 -28.704 469 HB3 LYS 59 HB3 LYS 59 9.471 -3.665 -28.228 470 HG2 LYS 59 HG2 LYS 59 8.722 -1.267 -27.412 471 HG3 LYS 59 HG3 LYS 59 10.061 -0.692 -28.419 472 HD2 LYS 59 HD2 LYS 59 8.337 -0.599 -29.892 473 HD3 LYS 59 HD3 LYS 59 9.001 -2.220 -30.257 474 HE2 LYS 59 HE2 LYS 59 7.279 -3.226 -28.744 475 HE3 LYS 59 HE3 LYS 59 6.705 -1.609 -28.336 476 HZ1 LYS 59 HZ1 LYS 59 6.513 -2.880 -30.985 477 HZ2 LYS 59 HZ2 LYS 59 6.139 -1.318 -30.693 478 HZ3 LYS 59 HZ3 LYS 59 5.277 -2.531 -29.962 479 H GLU 60 H GLU 60 12.522 -1.614 -27.669 480 HA GLU 60 HA GLU 60 12.176 0.964 -26.678 481 HB2 GLU 60 HB2 GLU 60 14.072 -0.783 -25.155 482 HB3 GLU 60 HB3 GLU 60 14.767 0.720 -25.779 483 HG2 GLU 60 HG2 GLU 60 12.863 2.013 -24.764 484 HG3 GLU 60 HG3 GLU 60 12.271 0.544 -24.025 485 H GLU 61 H GLU 61 13.387 2.332 -28.138 486 HA GLU 61 HA GLU 61 15.333 1.178 -29.946 487 HB2 GLU 61 HB2 GLU 61 12.757 0.748 -30.724 488 HB3 GLU 61 HB3 GLU 61 12.932 2.402 -31.299 489 HG2 GLU 61 HG2 GLU 61 15.044 1.610 -32.516 490 HG3 GLU 61 HG3 GLU 61 14.588 -0.037 -32.064 491 H THR 62 H THR 62 15.827 3.132 -31.666 492 HA THR 62 HA THR 62 16.860 5.279 -30.308 493 HB THR 62 HB THR 62 15.904 5.241 -33.195 494 HG1 THR 62 HG1 THR 62 17.889 3.816 -31.916 495 HG21 THR 62 HG21 THR 62 16.782 7.447 -32.461 496 HG22 THR 62 HG22 THR 62 17.803 6.685 -33.680 497 HG23 THR 62 HG23 THR 62 18.299 6.671 -31.972 498 H GLN 63 H GLN 63 15.806 6.823 -29.092 499 HA GLN 63 HA GLN 63 13.086 7.643 -29.822 500 HB2 GLN 63 HB2 GLN 63 13.774 7.143 -27.448 501 HB3 GLN 63 HB3 GLN 63 14.921 8.468 -27.526 502 HG2 GLN 63 HG2 GLN 63 13.006 9.263 -26.360 503 HG3 GLN 63 HG3 GLN 63 13.015 10.060 -27.924 504 HE21 GLN 63 HE21 GLN 63 11.925 6.844 -28.333 505 HE22 GLN 63 HE22 GLN 63 10.206 7.131 -28.273 Start of MODEL 12 1 H1 MET 1 H MET 1 1.706 -0.870 -0.231 2 HA MET 1 HA MET 1 3.629 0.545 -1.957 3 HB2 MET 1 HB2 MET 1 4.315 -1.510 -2.878 4 HB3 MET 1 HB3 MET 1 4.274 -1.781 -1.130 5 HG2 MET 1 HG2 MET 1 2.008 -2.856 -1.429 6 HG3 MET 1 HG3 MET 1 2.239 -2.719 -3.181 7 HE1 MET 1 HE1 MET 1 1.457 -5.370 -2.088 8 HE2 MET 1 HE2 MET 1 1.996 -5.220 -3.773 9 HE3 MET 1 HE3 MET 1 2.645 -6.519 -2.745 10 H LYS 2 H LYS 2 3.207 0.548 -4.228 11 HA LYS 2 HA LYS 2 0.545 -0.204 -5.183 12 HB2 LYS 2 HB2 LYS 2 0.281 2.174 -4.299 13 HB3 LYS 2 HB3 LYS 2 1.569 2.658 -5.406 14 HG2 LYS 2 HG2 LYS 2 0.226 1.837 -7.324 15 HG3 LYS 2 HG3 LYS 2 -1.100 1.409 -6.248 16 HD2 LYS 2 HD2 LYS 2 -0.949 3.936 -5.482 17 HD3 LYS 2 HD3 LYS 2 0.077 4.165 -6.890 18 HE2 LYS 2 HE2 LYS 2 -2.032 4.687 -7.728 19 HE3 LYS 2 HE3 LYS 2 -1.809 3.016 -8.228 20 HZ1 LYS 2 HZ1 LYS 2 -3.933 3.047 -7.318 21 HZ2 LYS 2 HZ2 LYS 2 -3.511 4.063 -6.084 22 HZ3 LYS 2 HZ3 LYS 2 -3.041 2.507 -6.042 23 H ASN 3 H ASN 3 1.266 -1.528 -6.640 24 HA ASN 3 HA ASN 3 3.806 -1.376 -7.948 25 HB2 ASN 3 HB2 ASN 3 2.662 -3.028 -9.493 26 HB3 ASN 3 HB3 ASN 3 2.900 -3.514 -7.840 27 HD21 ASN 3 HD21 ASN 3 0.735 -3.891 -10.265 28 HD22 ASN 3 HD22 ASN 3 -0.740 -3.896 -9.366 29 H ALA 4 H ALA 4 4.096 -1.081 -10.139 30 HA ALA 4 HA ALA 4 3.479 1.339 -11.252 31 HB1 ALA 4 HB1 ALA 4 3.973 -1.228 -12.741 32 HB2 ALA 4 HB2 ALA 4 4.202 0.399 -13.392 33 HB3 ALA 4 HB3 ALA 4 5.222 -0.181 -12.039 34 H ALA 5 H ALA 5 1.895 -1.719 -12.012 35 HA ALA 5 HA ALA 5 0.125 -0.891 -13.896 36 HB1 ALA 5 HB1 ALA 5 0.570 -3.266 -13.186 37 HB2 ALA 5 HB2 ALA 5 -0.526 -2.997 -11.799 38 HB3 ALA 5 HB3 ALA 5 -1.136 -2.890 -13.435 39 H GLN 6 H GLN 6 -0.328 -0.574 -10.348 40 HA GLN 6 HA GLN 6 -3.055 0.410 -10.606 41 HB2 GLN 6 HB2 GLN 6 -0.983 0.284 -8.382 42 HB3 GLN 6 HB3 GLN 6 -2.529 1.120 -8.196 43 HG2 GLN 6 HG2 GLN 6 -3.706 -0.952 -8.700 44 HG3 GLN 6 HG3 GLN 6 -2.173 -1.847 -8.682 45 HE21 GLN 6 HE21 GLN 6 -0.967 -1.777 -6.583 46 HE22 GLN 6 HE22 GLN 6 -1.850 -1.513 -5.076 47 H ILE 7 H ILE 7 0.237 1.820 -10.525 48 HA ILE 7 HA ILE 7 -0.622 4.521 -9.974 49 HB ILE 7 HB ILE 7 1.918 3.798 -11.469 50 HG12 ILE 7 HG12 ILE 7 1.243 3.347 -8.598 51 HG13 ILE 7 HG13 ILE 7 2.177 2.365 -9.711 52 HG21 ILE 7 HG21 ILE 7 2.759 5.878 -10.459 53 HG22 ILE 7 HG22 ILE 7 1.237 6.210 -11.275 54 HG23 ILE 7 HG23 ILE 7 1.267 6.025 -9.508 55 HD11 ILE 7 HD11 ILE 7 3.113 4.845 -8.266 56 HD12 ILE 7 HD12 ILE 7 3.640 3.185 -8.008 57 HD13 ILE 7 HD13 ILE 7 4.058 3.998 -9.533 58 H VAL 8 H VAL 8 0.182 2.757 -12.997 59 HA VAL 8 HA VAL 8 -0.410 4.980 -14.683 60 HB VAL 8 HB VAL 8 -0.527 2.030 -15.340 61 HG11 VAL 8 HG11 VAL 8 -1.632 3.302 -17.099 62 HG12 VAL 8 HG12 VAL 8 -0.233 4.390 -17.233 63 HG13 VAL 8 HG13 VAL 8 -0.089 2.677 -17.684 64 HG21 VAL 8 HG21 VAL 8 1.797 2.500 -16.322 65 HG22 VAL 8 HG22 VAL 8 1.760 3.956 -15.288 66 HG23 VAL 8 HG23 VAL 8 1.638 2.344 -14.578 67 H ASP 9 H ASP 9 -2.493 2.494 -13.336 68 HA ASP 9 HA ASP 9 -4.859 3.094 -14.873 69 HB2 ASP 9 HB2 ASP 9 -4.382 1.951 -12.104 70 HB3 ASP 9 HB3 ASP 9 -5.999 2.282 -12.691 71 H GLU 10 H GLU 10 -3.771 4.266 -11.690 72 HA GLU 10 HA GLU 10 -5.885 6.069 -11.242 73 HB2 GLU 10 HB2 GLU 10 -2.997 5.886 -10.322 74 HB3 GLU 10 HB3 GLU 10 -3.958 7.276 -9.863 75 HG2 GLU 10 HG2 GLU 10 -4.899 4.406 -9.359 76 HG3 GLU 10 HG3 GLU 10 -3.841 5.285 -8.264 77 H ALA 11 H ALA 11 -2.760 6.572 -13.015 78 HA ALA 11 HA ALA 11 -3.199 9.380 -13.370 79 HB1 ALA 11 HB1 ALA 11 -1.024 8.015 -13.416 80 HB2 ALA 11 HB2 ALA 11 -1.454 7.587 -15.088 81 HB3 ALA 11 HB3 ALA 11 -1.191 9.285 -14.640 82 H LEU 12 H LEU 12 -3.830 6.464 -15.342 83 HA LEU 12 HA LEU 12 -4.562 7.654 -17.763 84 HB2 LEU 12 HB2 LEU 12 -4.253 5.276 -17.632 85 HB3 LEU 12 HB3 LEU 12 -5.456 5.122 -16.348 86 HG LEU 12 HG LEU 12 -7.226 5.853 -17.918 87 HD11 LEU 12 HD11 LEU 12 -5.042 5.486 -20.038 88 HD12 LEU 12 HD12 LEU 12 -5.751 7.030 -19.556 89 HD13 LEU 12 HD13 LEU 12 -6.761 5.834 -20.348 90 HD21 LEU 12 HD21 LEU 12 -7.318 3.703 -19.173 91 HD22 LEU 12 HD22 LEU 12 -6.921 3.494 -17.458 92 HD23 LEU 12 HD23 LEU 12 -5.645 3.376 -18.687 93 H ASN 13 H ASN 13 -6.407 7.107 -14.867 94 HA ASN 13 HA ASN 13 -9.007 7.845 -15.676 95 HB2 ASN 13 HB2 ASN 13 -7.886 7.013 -13.331 96 HB3 ASN 13 HB3 ASN 13 -8.058 8.727 -12.966 97 HD21 ASN 13 HD21 ASN 13 -9.630 5.727 -13.000 98 HD22 ASN 13 HD22 ASN 13 -11.240 6.330 -12.664 99 H GLN 14 H GLN 14 -6.193 9.872 -14.781 100 HA GLN 14 HA GLN 14 -7.720 12.369 -14.917 101 HB2 GLN 14 HB2 GLN 14 -4.715 12.157 -14.669 102 HB3 GLN 14 HB3 GLN 14 -5.809 13.427 -14.145 103 HG2 GLN 14 HG2 GLN 14 -6.660 11.386 -12.568 104 HG3 GLN 14 HG3 GLN 14 -4.981 10.904 -12.835 105 HE21 GLN 14 HE21 GLN 14 -3.715 11.610 -11.158 106 HE22 GLN 14 HE22 GLN 14 -3.832 13.199 -10.436 107 H GLY 15 H GLY 15 -6.840 10.384 -17.307 108 HA2 GLY 15 HA2 GLY 15 -6.666 10.782 -19.572 109 HA3 GLY 15 HA3 GLY 15 -6.570 12.506 -19.264 110 H ILE 16 H ILE 16 -4.203 10.304 -17.679 111 HA ILE 16 HA ILE 16 -2.198 11.046 -19.726 112 HB ILE 16 HB ILE 16 -1.999 12.742 -18.169 113 HG12 ILE 16 HG12 ILE 16 0.081 11.508 -18.860 114 HG13 ILE 16 HG13 ILE 16 0.172 12.710 -17.595 115 HG21 ILE 16 HG21 ILE 16 -3.306 12.080 -16.299 116 HG22 ILE 16 HG22 ILE 16 -2.168 10.801 -15.876 117 HG23 ILE 16 HG23 ILE 16 -1.687 12.514 -15.754 118 HD11 ILE 16 HD11 ILE 16 0.124 10.830 -15.906 119 HD12 ILE 16 HD12 ILE 16 0.311 9.732 -17.291 120 HD13 ILE 16 HD13 ILE 16 1.546 10.952 -16.947 121 H THR 17 H THR 17 -0.934 9.432 -20.288 122 HA THR 17 HA THR 17 -1.008 6.861 -18.777 123 HB THR 17 HB THR 17 -0.237 7.383 -21.690 124 HG1 THR 17 HG1 THR 17 -2.798 6.833 -20.624 125 HG21 THR 17 HG21 THR 17 0.453 5.177 -20.972 126 HG22 THR 17 HG22 THR 17 -0.964 5.006 -22.007 127 HG23 THR 17 HG23 THR 17 -1.148 4.855 -20.245 128 H LEU 18 H LEU 18 1.051 5.610 -18.803 129 HA LEU 18 HA LEU 18 3.426 7.393 -18.677 130 HB2 LEU 18 HB2 LEU 18 2.780 5.023 -16.831 131 HB3 LEU 18 HB3 LEU 18 4.267 5.947 -16.914 132 HG LEU 18 HG LEU 18 3.091 6.642 -15.022 133 HD11 LEU 18 HD11 LEU 18 2.888 9.007 -15.308 134 HD12 LEU 18 HD12 LEU 18 2.628 8.824 -17.037 135 HD13 LEU 18 HD13 LEU 18 4.232 8.450 -16.341 136 HD21 LEU 18 HD21 LEU 18 0.921 7.301 -14.795 137 HD22 LEU 18 HD22 LEU 18 0.796 5.983 -15.977 138 HD23 LEU 18 HD23 LEU 18 0.692 7.646 -16.521 139 H PHE 19 H PHE 19 5.059 6.760 -19.948 140 HA PHE 19 HA PHE 19 5.252 3.951 -20.896 141 HB2 PHE 19 HB2 PHE 19 5.165 6.429 -22.663 142 HB3 PHE 19 HB3 PHE 19 5.755 4.871 -23.194 143 HD1 PHE 19 HD1 PHE 19 2.990 6.925 -23.399 144 HD2 PHE 19 HD2 PHE 19 4.030 2.814 -22.625 145 HE1 PHE 19 HE1 PHE 19 0.762 6.212 -24.208 146 HE2 PHE 19 HE2 PHE 19 1.794 2.103 -23.408 147 HZ PHE 19 HZ PHE 19 0.153 3.796 -24.219 148 H VAL 20 H VAL 20 7.445 3.732 -22.137 149 HA VAL 20 HA VAL 20 9.556 5.353 -20.809 150 HB VAL 20 HB VAL 20 9.165 2.348 -20.909 151 HG11 VAL 20 HG11 VAL 20 11.964 3.565 -21.022 152 HG12 VAL 20 HG12 VAL 20 11.523 1.873 -20.702 153 HG13 VAL 20 HG13 VAL 20 11.222 2.559 -22.294 154 HG21 VAL 20 HG21 VAL 20 10.739 4.080 -19.036 155 HG22 VAL 20 HG22 VAL 20 8.982 3.904 -18.935 156 HG23 VAL 20 HG23 VAL 20 10.020 2.473 -18.783 157 H ALA 21 H ALA 21 11.404 5.690 -21.938 158 HA ALA 21 HA ALA 21 12.091 5.086 -24.627 159 HB1 ALA 21 HB1 ALA 21 10.735 7.752 -24.074 160 HB2 ALA 21 HB2 ALA 21 11.938 7.529 -25.356 161 HB3 ALA 21 HB3 ALA 21 10.416 6.620 -25.389 162 H ASP 22 H ASP 22 14.185 5.853 -24.931 163 HA ASP 22 HA ASP 22 16.308 6.232 -24.243 164 HB2 ASP 22 HB2 ASP 22 14.968 8.495 -24.341 165 HB3 ASP 22 HB3 ASP 22 15.338 8.588 -22.635 166 H ASN 23 H ASN 23 14.868 4.391 -22.476 167 HA ASN 23 HA ASN 23 14.980 3.400 -20.566 168 HB2 ASN 23 HB2 ASN 23 17.413 3.372 -21.360 169 HB3 ASN 23 HB3 ASN 23 17.739 4.681 -20.228 170 HD21 ASN 23 HD21 ASN 23 16.159 1.480 -20.303 171 HD22 ASN 23 HD22 ASN 23 16.842 0.849 -18.819 172 H ARG 24 H ARG 24 13.868 6.151 -20.494 173 HA ARG 24 HA ARG 24 14.082 6.711 -17.589 174 HB2 ARG 24 HB2 ARG 24 14.352 9.011 -17.948 175 HB3 ARG 24 HB3 ARG 24 15.299 8.325 -19.288 176 HG2 ARG 24 HG2 ARG 24 13.245 8.569 -20.709 177 HG3 ARG 24 HG3 ARG 24 12.516 9.540 -19.442 178 HD2 ARG 24 HD2 ARG 24 15.158 10.134 -20.830 179 HD3 ARG 24 HD3 ARG 24 13.588 10.703 -21.400 180 HE ARG 24 HE ARG 24 14.492 11.337 -18.630 181 HH11 ARG 24 HH11 ARG 24 13.908 12.518 -21.934 182 HH12 ARG 24 HH12 ARG 24 14.099 14.187 -21.480 183 HH21 ARG 24 HH21 ARG 24 14.481 13.548 -18.025 184 HH22 ARG 24 HH22 ARG 24 14.318 14.764 -19.266 185 H LEU 25 H LEU 25 12.163 7.975 -16.786 186 HA LEU 25 HA LEU 25 9.713 6.626 -17.631 187 HB2 LEU 25 HB2 LEU 25 10.314 7.047 -15.232 188 HB3 LEU 25 HB3 LEU 25 10.292 8.770 -15.512 189 HG LEU 25 HG LEU 25 8.344 7.692 -14.289 190 HD11 LEU 25 HD11 LEU 25 6.683 9.181 -15.094 191 HD12 LEU 25 HD12 LEU 25 7.515 9.400 -16.632 192 HD13 LEU 25 HD13 LEU 25 8.257 9.989 -15.122 193 HD21 LEU 25 HD21 LEU 25 7.964 5.757 -15.712 194 HD22 LEU 25 HD22 LEU 25 7.419 6.811 -17.038 195 HD23 LEU 25 HD23 LEU 25 6.505 6.739 -15.537 196 H GLN 26 H GLN 26 8.128 7.504 -18.975 197 HA GLN 26 HA GLN 26 8.062 10.418 -19.425 198 HB2 GLN 26 HB2 GLN 26 8.282 8.255 -21.566 199 HB3 GLN 26 HB3 GLN 26 7.332 9.685 -21.850 200 HG2 GLN 26 HG2 GLN 26 9.127 10.737 -22.518 201 HG3 GLN 26 HG3 GLN 26 9.633 10.838 -20.841 202 HE21 GLN 26 HE21 GLN 26 10.161 7.817 -20.771 203 HE22 GLN 26 HE22 GLN 26 11.703 7.748 -21.601 204 H TYR 27 H TYR 27 5.942 10.815 -20.710 205 HA TYR 27 HA TYR 27 3.737 9.161 -19.797 206 HB2 TYR 27 HB2 TYR 27 2.791 11.692 -19.173 207 HB3 TYR 27 HB3 TYR 27 3.321 10.528 -18.016 208 HD1 TYR 27 HD1 TYR 27 5.519 10.664 -16.945 209 HD2 TYR 27 HD2 TYR 27 4.275 13.589 -19.853 210 HE1 TYR 27 HE1 TYR 27 7.583 11.961 -16.520 211 HE2 TYR 27 HE2 TYR 27 6.250 14.980 -19.324 212 HH TYR 27 HH TYR 27 8.933 13.694 -17.538 213 H GLU 28 H GLU 28 1.774 9.900 -20.806 214 HA GLU 28 HA GLU 28 2.086 11.560 -23.208 215 HB2 GLU 28 HB2 GLU 28 2.693 9.318 -23.955 216 HB3 GLU 28 HB3 GLU 28 1.227 8.637 -23.239 217 HG2 GLU 28 HG2 GLU 28 1.067 8.959 -25.703 218 HG3 GLU 28 HG3 GLU 28 -0.164 9.848 -24.780 219 H THR 29 H THR 29 0.538 12.947 -22.987 220 HA THR 29 HA THR 29 -2.187 12.206 -22.169 221 HB THR 29 HB THR 29 -0.989 13.051 -20.145 222 HG1 THR 29 HG1 THR 29 -3.203 13.379 -20.339 223 HG21 THR 29 HG21 THR 29 -0.412 15.393 -19.889 224 HG22 THR 29 HG22 THR 29 -0.844 15.736 -21.568 225 HG23 THR 29 HG23 THR 29 0.544 14.685 -21.201 226 H SER 30 H SER 30 -3.607 14.228 -22.610 227 HA SER 30 HA SER 30 -2.689 15.692 -25.021 228 HB2 SER 30 HB2 SER 30 -3.951 13.503 -25.498 229 HB3 SER 30 HB3 SER 30 -5.392 14.321 -24.874 230 HG SER 30 HG SER 30 -4.966 14.409 -27.216 231 H ARG 31 H ARG 31 -3.123 16.217 -22.066 232 HA ARG 31 HA ARG 31 -5.392 18.030 -21.821 233 HB2 ARG 31 HB2 ARG 31 -2.918 17.393 -20.137 234 HB3 ARG 31 HB3 ARG 31 -4.160 18.536 -19.628 235 HG2 ARG 31 HG2 ARG 31 -5.856 16.848 -19.508 236 HG3 ARG 31 HG3 ARG 31 -4.856 15.675 -20.364 237 HD2 ARG 31 HD2 ARG 31 -4.821 15.049 -18.112 238 HD3 ARG 31 HD3 ARG 31 -3.224 15.702 -18.464 239 HE ARG 31 HE ARG 31 -4.262 17.901 -17.479 240 HH11 ARG 31 HH11 ARG 31 -4.932 14.654 -16.125 241 HH12 ARG 31 HH12 ARG 31 -4.667 15.258 -14.482 242 HH21 ARG 31 HH21 ARG 31 -4.283 18.590 -15.376 243 HH22 ARG 31 HH22 ARG 31 -4.549 17.444 -14.052 244 H ASP 32 H ASP 32 -4.771 20.406 -21.014 245 HA ASP 32 HA ASP 32 -3.378 21.644 -23.211 246 HB2 ASP 32 HB2 ASP 32 -4.455 22.764 -20.607 247 HB3 ASP 32 HB3 ASP 32 -3.625 23.737 -21.815 248 H ASN 33 H ASN 33 -2.361 20.442 -20.065 249 HA ASN 33 HA ASN 33 0.394 20.506 -20.594 250 HB2 ASN 33 HB2 ASN 33 -0.040 23.024 -20.045 251 HB3 ASN 33 HB3 ASN 33 -0.467 22.472 -18.426 252 HD21 ASN 33 HD21 ASN 33 2.189 22.105 -20.894 253 HD22 ASN 33 HD22 ASN 33 3.459 22.141 -19.690 254 H ILE 34 H ILE 34 1.500 19.851 -18.243 255 HA ILE 34 HA ILE 34 -0.453 18.078 -16.889 256 HB ILE 34 HB ILE 34 1.300 16.964 -18.186 257 HG12 ILE 34 HG12 ILE 34 2.284 15.546 -16.195 258 HG13 ILE 34 HG13 ILE 34 1.279 16.545 -15.168 259 HG21 ILE 34 HG21 ILE 34 3.612 16.954 -17.519 260 HG22 ILE 34 HG22 ILE 34 3.140 18.619 -17.889 261 HG23 ILE 34 HG23 ILE 34 3.286 18.084 -16.198 262 HD11 ILE 34 HD11 ILE 34 -0.745 15.831 -16.512 263 HD12 ILE 34 HD12 ILE 34 0.323 14.887 -17.556 264 HD13 ILE 34 HD13 ILE 34 0.135 14.439 -15.844 265 HA PRO 35 HA PRO 35 0.428 20.745 -13.409 266 HB2 PRO 35 HB2 PRO 35 -0.574 19.091 -11.425 267 HB3 PRO 35 HB3 PRO 35 -1.594 20.188 -12.426 268 HG2 PRO 35 HG2 PRO 35 -1.098 17.265 -12.523 269 HG3 PRO 35 HG3 PRO 35 -2.607 18.140 -12.946 270 HD2 PRO 35 HD2 PRO 35 -0.787 17.101 -14.726 271 HD3 PRO 35 HD3 PRO 35 -1.855 18.487 -15.114 272 H GLU 36 H GLU 36 1.923 20.875 -11.637 273 HA GLU 36 HA GLU 36 4.221 19.240 -11.828 274 HB2 GLU 36 HB2 GLU 36 4.826 20.313 -9.597 275 HB3 GLU 36 HB3 GLU 36 4.575 21.401 -10.989 276 HG2 GLU 36 HG2 GLU 36 2.392 22.063 -10.173 277 HG3 GLU 36 HG3 GLU 36 2.382 20.819 -8.943 278 H GLU 37 H GLU 37 1.456 19.088 -9.701 279 HA GLU 37 HA GLU 37 2.397 17.352 -7.685 280 HB2 GLU 37 HB2 GLU 37 -0.175 16.802 -7.530 281 HB3 GLU 37 HB3 GLU 37 0.437 18.411 -7.132 282 HG2 GLU 37 HG2 GLU 37 -0.176 19.277 -9.312 283 HG3 GLU 37 HG3 GLU 37 -0.712 17.663 -9.824 284 H LEU 38 H LEU 38 0.987 16.663 -10.901 285 HA LEU 38 HA LEU 38 0.898 13.784 -10.597 286 HB2 LEU 38 HB2 LEU 38 0.746 15.768 -12.880 287 HB3 LEU 38 HB3 LEU 38 1.012 14.107 -13.266 288 HG LEU 38 HG LEU 38 -1.384 15.123 -13.304 289 HD11 LEU 38 HD11 LEU 38 -1.086 12.447 -11.956 290 HD12 LEU 38 HD12 LEU 38 -0.771 12.707 -13.689 291 HD13 LEU 38 HD13 LEU 38 -2.387 12.975 -13.042 292 HD21 LEU 38 HD21 LEU 38 -1.324 14.193 -10.394 293 HD22 LEU 38 HD22 LEU 38 -2.693 14.862 -11.312 294 HD23 LEU 38 HD23 LEU 38 -1.341 15.890 -10.877 295 H LEU 39 H LEU 39 3.218 16.127 -12.097 296 HA LEU 39 HA LEU 39 5.027 14.167 -13.047 297 HB2 LEU 39 HB2 LEU 39 5.483 17.037 -12.118 298 HB3 LEU 39 HB3 LEU 39 6.723 16.055 -12.887 299 HG LEU 39 HG LEU 39 4.060 16.731 -14.222 300 HD11 LEU 39 HD11 LEU 39 5.403 18.388 -15.507 301 HD12 LEU 39 HD12 LEU 39 6.792 18.074 -14.446 302 HD13 LEU 39 HD13 LEU 39 5.304 18.786 -13.796 303 HD21 LEU 39 HD21 LEU 39 5.301 16.095 -16.297 304 HD22 LEU 39 HD22 LEU 39 5.116 14.742 -15.197 305 HD23 LEU 39 HD23 LEU 39 6.683 15.607 -15.312 306 H ASN 40 H ASN 40 4.826 15.902 -9.958 307 HA ASN 40 HA ASN 40 7.122 14.873 -8.714 308 HB2 ASN 40 HB2 ASN 40 4.573 16.176 -7.800 309 HB3 ASN 40 HB3 ASN 40 5.468 15.262 -6.589 310 HD21 ASN 40 HD21 ASN 40 5.527 18.063 -8.698 311 HD22 ASN 40 HD22 ASN 40 6.828 18.888 -7.856 312 H GLU 41 H GLU 41 3.843 13.537 -8.830 313 HA GLU 41 HA GLU 41 4.311 11.337 -7.072 314 HB2 GLU 41 HB2 GLU 41 2.226 12.260 -8.988 315 HB3 GLU 41 HB3 GLU 41 2.166 10.563 -8.549 316 HG2 GLU 41 HG2 GLU 41 2.222 11.239 -6.124 317 HG3 GLU 41 HG3 GLU 41 2.291 12.909 -6.612 318 H TRP 42 H TRP 42 4.104 11.462 -10.666 319 HA TRP 42 HA TRP 42 5.006 8.793 -11.026 320 HB2 TRP 42 HB2 TRP 42 5.406 11.058 -12.978 321 HB3 TRP 42 HB3 TRP 42 5.238 9.331 -13.312 322 HD1 TRP 42 HD1 TRP 42 3.395 11.634 -14.570 323 HE1 TRP 42 HE1 TRP 42 0.853 11.529 -14.299 324 HE3 TRP 42 HE3 TRP 42 3.050 8.601 -10.385 325 HZ2 TRP 42 HZ2 TRP 42 -1.072 10.340 -12.491 326 HZ3 TRP 42 HZ3 TRP 42 0.875 8.167 -9.382 327 HH2 TRP 42 HH2 TRP 42 -1.181 8.910 -10.493 328 H LYS 43 H LYS 43 6.919 11.719 -10.523 329 HA LYS 43 HA LYS 43 9.436 10.528 -11.328 330 HB2 LYS 43 HB2 LYS 43 8.553 12.972 -9.744 331 HB3 LYS 43 HB3 LYS 43 10.264 12.542 -9.854 332 HG2 LYS 43 HG2 LYS 43 10.162 12.560 -12.300 333 HG3 LYS 43 HG3 LYS 43 8.442 12.792 -12.260 334 HD2 LYS 43 HD2 LYS 43 9.262 14.961 -12.685 335 HD3 LYS 43 HD3 LYS 43 8.863 14.958 -10.958 336 HE2 LYS 43 HE2 LYS 43 11.332 14.137 -10.609 337 HE3 LYS 43 HE3 LYS 43 11.614 14.597 -12.285 338 HZ1 LYS 43 HZ1 LYS 43 12.257 16.287 -10.717 339 HZ2 LYS 43 HZ2 LYS 43 10.777 16.379 -10.080 340 HZ3 LYS 43 HZ3 LYS 43 11.036 16.892 -11.628 341 H TYR 44 H TYR 44 7.506 10.582 -8.395 342 HA TYR 44 HA TYR 44 9.593 9.791 -6.567 343 HB2 TYR 44 HB2 TYR 44 7.241 10.740 -6.083 344 HB3 TYR 44 HB3 TYR 44 6.644 9.115 -6.294 345 HD1 TYR 44 HD1 TYR 44 8.354 11.448 -4.091 346 HD2 TYR 44 HD2 TYR 44 7.389 7.290 -4.700 347 HE1 TYR 44 HE1 TYR 44 8.716 11.020 -1.697 348 HE2 TYR 44 HE2 TYR 44 7.700 6.861 -2.291 349 HH TYR 44 HH TYR 44 8.639 7.792 -0.262 350 H TYR 45 H TYR 45 6.965 7.820 -8.102 351 HA TYR 45 HA TYR 45 8.464 5.344 -7.659 352 HB2 TYR 45 HB2 TYR 45 5.632 5.881 -8.637 353 HB3 TYR 45 HB3 TYR 45 6.328 4.302 -8.348 354 HD1 TYR 45 HD1 TYR 45 7.466 3.855 -6.025 355 HD2 TYR 45 HD2 TYR 45 4.447 6.870 -6.742 356 HE1 TYR 45 HE1 TYR 45 6.996 3.941 -3.621 357 HE2 TYR 45 HE2 TYR 45 3.933 6.911 -4.340 358 HH TYR 45 HH TYR 45 4.430 6.073 -2.242 359 H ARG 46 H ARG 46 9.400 7.308 -9.767 360 HA ARG 46 HA ARG 46 8.648 6.451 -12.300 361 HB2 ARG 46 HB2 ARG 46 10.329 7.654 -13.197 362 HB3 ARG 46 HB3 ARG 46 10.149 8.457 -11.674 363 HG2 ARG 46 HG2 ARG 46 12.280 6.348 -12.268 364 HG3 ARG 46 HG3 ARG 46 12.506 8.070 -12.530 365 HD2 ARG 46 HD2 ARG 46 12.448 8.627 -10.337 366 HD3 ARG 46 HD3 ARG 46 11.472 7.238 -9.842 367 HE ARG 46 HE ARG 46 14.060 6.357 -10.722 368 HH11 ARG 46 HH11 ARG 46 12.329 7.884 -8.005 369 HH12 ARG 46 HH12 ARG 46 13.385 7.329 -6.781 370 HH21 ARG 46 HH21 ARG 46 15.358 5.368 -9.049 371 HH22 ARG 46 HH22 ARG 46 15.227 5.942 -7.419 372 H GLN 47 H GLN 47 11.163 4.940 -10.189 373 HA GLN 47 HA GLN 47 11.911 3.095 -12.278 374 HB2 GLN 47 HB2 GLN 47 13.475 3.789 -10.552 375 HB3 GLN 47 HB3 GLN 47 12.464 3.088 -9.296 376 HG2 GLN 47 HG2 GLN 47 14.420 1.684 -9.843 377 HG3 GLN 47 HG3 GLN 47 12.900 0.848 -10.084 378 HE21 GLN 47 HE21 GLN 47 12.290 0.222 -12.177 379 HE22 GLN 47 HE22 GLN 47 13.386 0.180 -13.547 380 H ASP 48 H ASP 48 9.428 3.091 -9.686 381 HA ASP 48 HA ASP 48 8.905 0.231 -9.818 382 HB2 ASP 48 HB2 ASP 48 8.069 2.247 -8.166 383 HB3 ASP 48 HB3 ASP 48 6.712 2.237 -9.272 384 H LEU 49 H LEU 49 7.561 3.079 -11.310 385 HA LEU 49 HA LEU 49 5.742 1.920 -13.109 386 HB2 LEU 49 HB2 LEU 49 7.294 4.520 -13.030 387 HB3 LEU 49 HB3 LEU 49 6.399 4.119 -14.485 388 HG LEU 49 HG LEU 49 4.959 4.038 -11.837 389 HD11 LEU 49 HD11 LEU 49 5.468 6.540 -13.488 390 HD12 LEU 49 HD12 LEU 49 6.105 6.209 -11.859 391 HD13 LEU 49 HD13 LEU 49 4.364 6.410 -12.109 392 HD21 LEU 49 HD21 LEU 49 3.765 3.139 -13.681 393 HD22 LEU 49 HD22 LEU 49 4.111 4.568 -14.673 394 HD23 LEU 49 HD23 LEU 49 3.064 4.703 -13.241 395 H ILE 50 H ILE 50 8.902 3.300 -14.103 396 HA ILE 50 HA ILE 50 9.082 2.377 -16.621 397 HB ILE 50 HB ILE 50 11.279 2.522 -14.520 398 HG12 ILE 50 HG12 ILE 50 11.092 4.353 -16.914 399 HG13 ILE 50 HG13 ILE 50 10.009 4.630 -15.565 400 HG21 ILE 50 HG21 ILE 50 12.918 2.562 -16.530 401 HG22 ILE 50 HG22 ILE 50 12.230 1.000 -16.096 402 HG23 ILE 50 HG23 ILE 50 11.588 1.890 -17.471 403 HD11 ILE 50 HD11 ILE 50 12.059 4.728 -14.042 404 HD12 ILE 50 HD12 ILE 50 13.092 4.477 -15.454 405 HD13 ILE 50 HD13 ILE 50 12.128 5.947 -15.324 406 H ASP 51 H ASP 51 10.069 0.376 -13.766 407 HA ASP 51 HA ASP 51 11.075 -1.746 -15.170 408 HB2 ASP 51 HB2 ASP 51 10.752 -1.299 -12.566 409 HB3 ASP 51 HB3 ASP 51 9.365 -2.375 -12.761 410 H PHE 52 H PHE 52 7.631 -1.149 -14.476 411 HA PHE 52 HA PHE 52 6.845 -3.578 -15.980 412 HB2 PHE 52 HB2 PHE 52 5.316 -1.289 -14.716 413 HB3 PHE 52 HB3 PHE 52 4.539 -2.475 -15.734 414 HD1 PHE 52 HD1 PHE 52 6.741 -2.395 -12.645 415 HD2 PHE 52 HD2 PHE 52 3.487 -4.290 -14.771 416 HE1 PHE 52 HE1 PHE 52 6.243 -3.781 -10.662 417 HE2 PHE 52 HE2 PHE 52 2.986 -5.661 -12.773 418 HZ PHE 52 HZ PHE 52 4.341 -5.397 -10.713 419 H LEU 53 H LEU 53 7.058 -0.051 -16.522 420 HA LEU 53 HA LEU 53 5.501 0.193 -18.877 421 HB2 LEU 53 HB2 LEU 53 8.010 1.711 -18.247 422 HB3 LEU 53 HB3 LEU 53 6.840 2.178 -19.436 423 HG LEU 53 HG LEU 53 6.598 2.240 -16.471 424 HD11 LEU 53 HD11 LEU 53 5.882 4.489 -16.778 425 HD12 LEU 53 HD12 LEU 53 6.028 4.276 -18.528 426 HD13 LEU 53 HD13 LEU 53 7.464 4.191 -17.487 427 HD21 LEU 53 HD21 LEU 53 4.236 2.306 -18.318 428 HD22 LEU 53 HD22 LEU 53 4.237 2.835 -16.610 429 HD23 LEU 53 HD23 LEU 53 4.572 1.153 -16.992 430 H GLN 54 H GLN 54 8.891 -0.787 -18.534 431 HA GLN 54 HA GLN 54 9.560 -0.803 -21.311 432 HB2 GLN 54 HB2 GLN 54 10.570 -2.792 -19.275 433 HB3 GLN 54 HB3 GLN 54 11.387 -2.222 -20.716 434 HG2 GLN 54 HG2 GLN 54 11.010 0.084 -19.146 435 HG3 GLN 54 HG3 GLN 54 11.331 -1.203 -17.969 436 HE21 GLN 54 HE21 GLN 54 12.919 1.173 -19.119 437 HE22 GLN 54 HE22 GLN 54 14.486 0.489 -19.528 438 H GLN 55 H GLN 55 8.125 -3.272 -19.193 439 HA GLN 55 HA GLN 55 7.987 -5.402 -21.110 440 HB2 GLN 55 HB2 GLN 55 6.156 -5.144 -18.702 441 HB3 GLN 55 HB3 GLN 55 6.813 -6.600 -19.446 442 HG2 GLN 55 HG2 GLN 55 9.114 -5.821 -18.644 443 HG3 GLN 55 HG3 GLN 55 8.273 -4.544 -17.775 444 HE21 GLN 55 HE21 GLN 55 9.707 -7.434 -17.207 445 HE22 GLN 55 HE22 GLN 55 8.779 -7.847 -15.775 446 H LEU 56 H LEU 56 5.738 -2.869 -20.075 447 HA LEU 56 HA LEU 56 3.354 -3.763 -21.268 448 HB2 LEU 56 HB2 LEU 56 4.438 -1.179 -20.294 449 HB3 LEU 56 HB3 LEU 56 3.268 -1.025 -21.589 450 HG LEU 56 HG LEU 56 1.697 -2.530 -20.232 451 HD11 LEU 56 HD11 LEU 56 2.046 -2.768 -17.854 452 HD12 LEU 56 HD12 LEU 56 3.602 -1.899 -17.950 453 HD13 LEU 56 HD13 LEU 56 3.417 -3.501 -18.688 454 HD21 LEU 56 HD21 LEU 56 2.566 0.117 -19.005 455 HD22 LEU 56 HD22 LEU 56 0.985 -0.687 -18.791 456 HD23 LEU 56 HD23 LEU 56 1.466 -0.097 -20.382 457 H ASP 57 H ASP 57 6.030 -1.893 -22.648 458 HA ASP 57 HA ASP 57 4.834 -1.689 -25.300 459 HB2 ASP 57 HB2 ASP 57 6.366 -0.081 -24.017 460 HB3 ASP 57 HB3 ASP 57 7.694 -1.157 -24.465 461 H ALA 58 H ALA 58 7.330 -3.613 -23.679 462 HA ALA 58 HA ALA 58 8.502 -5.498 -24.151 463 HB1 ALA 58 HB1 ALA 58 6.256 -6.484 -24.413 464 HB2 ALA 58 HB2 ALA 58 6.282 -6.039 -26.149 465 HB3 ALA 58 HB3 ALA 58 7.422 -7.240 -25.510 466 H LYS 59 H LYS 59 8.994 -3.059 -25.687 467 HA LYS 59 HA LYS 59 9.987 -3.974 -28.307 468 HB2 LYS 59 HB2 LYS 59 8.508 -2.129 -28.150 469 HB3 LYS 59 HB3 LYS 59 9.486 -1.303 -26.953 470 HG2 LYS 59 HG2 LYS 59 10.855 -0.405 -28.443 471 HG3 LYS 59 HG3 LYS 59 11.024 -1.880 -29.408 472 HD2 LYS 59 HD2 LYS 59 9.099 -1.482 -30.653 473 HD3 LYS 59 HD3 LYS 59 8.394 -0.394 -29.469 474 HE2 LYS 59 HE2 LYS 59 10.929 0.293 -31.041 475 HE3 LYS 59 HE3 LYS 59 9.302 0.777 -31.531 476 HZ1 LYS 59 HZ1 LYS 59 10.764 1.672 -29.121 477 HZ2 LYS 59 HZ2 LYS 59 9.132 1.875 -29.298 478 HZ3 LYS 59 HZ3 LYS 59 10.187 2.562 -30.355 479 H GLU 60 H GLU 60 11.978 -4.786 -28.327 480 HA GLU 60 HA GLU 60 14.017 -4.501 -26.442 481 HB2 GLU 60 HB2 GLU 60 13.809 -6.350 -28.062 482 HB3 GLU 60 HB3 GLU 60 14.059 -5.235 -29.397 483 HG2 GLU 60 HG2 GLU 60 16.091 -6.423 -29.071 484 HG3 GLU 60 HG3 GLU 60 16.385 -4.775 -28.531 485 H GLU 61 H GLU 61 14.741 -2.538 -25.891 486 HA GLU 61 HA GLU 61 15.871 -0.747 -27.990 487 HB2 GLU 61 HB2 GLU 61 14.042 -0.072 -25.669 488 HB3 GLU 61 HB3 GLU 61 15.127 1.128 -26.403 489 HG2 GLU 61 HG2 GLU 61 14.170 0.698 -28.629 490 HG3 GLU 61 HG3 GLU 61 13.093 -0.524 -27.965 491 H THR 62 H THR 62 17.987 -1.366 -27.740 492 HA THR 62 HA THR 62 19.181 -1.937 -25.202 493 HB THR 62 HB THR 62 21.284 -1.915 -26.477 494 HG1 THR 62 HG1 THR 62 21.245 -0.518 -28.033 495 HG21 THR 62 HG21 THR 62 20.747 -3.823 -27.829 496 HG22 THR 62 HG22 THR 62 19.058 -3.297 -28.046 497 HG23 THR 62 HG23 THR 62 19.643 -3.848 -26.473 498 H GLN 63 H GLN 63 20.898 -0.672 -24.164 499 HA GLN 63 HA GLN 63 20.103 1.979 -23.557 500 HB2 GLN 63 HB2 GLN 63 21.293 0.499 -21.988 501 HB3 GLN 63 HB3 GLN 63 22.706 0.476 -23.049 502 HG2 GLN 63 HG2 GLN 63 22.888 3.000 -22.713 503 HG3 GLN 63 HG3 GLN 63 21.526 2.881 -21.592 504 HE21 GLN 63 HE21 GLN 63 24.691 1.288 -22.185 505 HE22 GLN 63 HE22 GLN 63 25.251 1.529 -20.542 Start of MODEL 13 1 H1 MET 1 H MET 1 3.646 -2.969 -0.910 2 HA MET 1 HA MET 1 3.293 -0.692 -1.616 3 HB2 MET 1 HB2 MET 1 5.277 -2.184 -3.375 4 HB3 MET 1 HB3 MET 1 5.141 -0.422 -3.355 5 HG2 MET 1 HG2 MET 1 5.623 -2.027 -0.841 6 HG3 MET 1 HG3 MET 1 6.947 -1.498 -1.877 7 HE1 MET 1 HE1 MET 1 7.913 0.777 -2.040 8 HE2 MET 1 HE2 MET 1 6.428 1.414 -2.783 9 HE3 MET 1 HE3 MET 1 7.182 2.270 -1.415 10 H LYS 2 H LYS 2 2.502 0.787 -3.248 11 HA LYS 2 HA LYS 2 0.601 -0.436 -5.072 12 HB2 LYS 2 HB2 LYS 2 0.242 1.786 -3.941 13 HB3 LYS 2 HB3 LYS 2 1.531 2.455 -4.964 14 HG2 LYS 2 HG2 LYS 2 0.203 1.780 -6.992 15 HG3 LYS 2 HG3 LYS 2 -1.096 1.227 -5.918 16 HD2 LYS 2 HD2 LYS 2 -0.854 3.708 -4.952 17 HD3 LYS 2 HD3 LYS 2 -0.154 4.041 -6.520 18 HE2 LYS 2 HE2 LYS 2 -2.186 3.625 -7.661 19 HE3 LYS 2 HE3 LYS 2 -2.761 2.536 -6.372 20 HZ1 LYS 2 HZ1 LYS 2 -2.678 5.466 -6.283 21 HZ2 LYS 2 HZ2 LYS 2 -2.944 4.499 -4.942 22 HZ3 LYS 2 HZ3 LYS 2 -3.978 4.502 -6.204 23 H ASN 3 H ASN 3 1.337 -1.576 -6.599 24 HA ASN 3 HA ASN 3 3.857 -1.247 -7.915 25 HB2 ASN 3 HB2 ASN 3 2.822 -2.849 -9.575 26 HB3 ASN 3 HB3 ASN 3 3.015 -3.419 -7.928 27 HD21 ASN 3 HD21 ASN 3 0.874 -3.562 -10.517 28 HD22 ASN 3 HD22 ASN 3 -0.611 -3.708 -9.612 29 H ALA 4 H ALA 4 4.127 -0.850 -10.105 30 HA ALA 4 HA ALA 4 3.503 1.582 -11.065 31 HB1 ALA 4 HB1 ALA 4 4.221 0.712 -13.267 32 HB2 ALA 4 HB2 ALA 4 5.253 0.092 -11.941 33 HB3 ALA 4 HB3 ALA 4 4.000 -0.931 -12.666 34 H ALA 5 H ALA 5 1.907 -1.407 -11.949 35 HA ALA 5 HA ALA 5 0.148 -0.493 -13.845 36 HB1 ALA 5 HB1 ALA 5 -0.651 -2.600 -11.797 37 HB2 ALA 5 HB2 ALA 5 -1.156 -2.471 -13.480 38 HB3 ALA 5 HB3 ALA 5 0.532 -2.905 -13.091 39 H GLN 6 H GLN 6 -0.363 -0.502 -10.296 40 HA GLN 6 HA GLN 6 -3.059 0.507 -10.409 41 HB2 GLN 6 HB2 GLN 6 -0.937 0.379 -8.241 42 HB3 GLN 6 HB3 GLN 6 -2.497 1.134 -7.978 43 HG2 GLN 6 HG2 GLN 6 -3.595 -1.011 -8.570 44 HG3 GLN 6 HG3 GLN 6 -1.997 -1.774 -8.656 45 HE21 GLN 6 HE21 GLN 6 -0.769 -1.952 -6.628 46 HE22 GLN 6 HE22 GLN 6 -1.505 -1.621 -5.061 47 H ILE 7 H ILE 7 0.193 1.989 -10.066 48 HA ILE 7 HA ILE 7 -0.762 4.642 -9.631 49 HB ILE 7 HB ILE 7 1.851 4.067 -11.077 50 HG12 ILE 7 HG12 ILE 7 1.151 3.337 -8.260 51 HG13 ILE 7 HG13 ILE 7 2.210 2.547 -9.410 52 HG21 ILE 7 HG21 ILE 7 0.992 6.115 -9.001 53 HG22 ILE 7 HG22 ILE 7 2.522 6.118 -9.923 54 HG23 ILE 7 HG23 ILE 7 1.005 6.389 -10.760 55 HD11 ILE 7 HD11 ILE 7 3.954 4.247 -9.015 56 HD12 ILE 7 HD12 ILE 7 2.879 5.095 -7.858 57 HD13 ILE 7 HD13 ILE 7 3.451 3.481 -7.488 58 H VAL 8 H VAL 8 0.187 2.966 -12.643 59 HA VAL 8 HA VAL 8 -0.331 5.129 -14.393 60 HB VAL 8 HB VAL 8 -0.242 2.123 -14.786 61 HG11 VAL 8 HG11 VAL 8 0.101 2.507 -17.168 62 HG12 VAL 8 HG12 VAL 8 -1.512 3.019 -16.653 63 HG13 VAL 8 HG13 VAL 8 -0.269 4.233 -16.973 64 HG21 VAL 8 HG21 VAL 8 1.885 3.036 -14.078 65 HG22 VAL 8 HG22 VAL 8 1.977 2.592 -15.781 66 HG23 VAL 8 HG23 VAL 8 1.783 4.295 -15.289 67 H ASP 9 H ASP 9 -2.510 2.565 -13.106 68 HA ASP 9 HA ASP 9 -4.725 3.250 -14.751 69 HB2 ASP 9 HB2 ASP 9 -4.226 1.385 -12.713 70 HB3 ASP 9 HB3 ASP 9 -5.495 2.386 -12.036 71 H GLU 10 H GLU 10 -3.454 4.665 -11.825 72 HA GLU 10 HA GLU 10 -5.767 6.317 -11.145 73 HB2 GLU 10 HB2 GLU 10 -3.285 5.586 -9.945 74 HB3 GLU 10 HB3 GLU 10 -3.094 7.293 -10.280 75 HG2 GLU 10 HG2 GLU 10 -5.190 7.777 -9.032 76 HG3 GLU 10 HG3 GLU 10 -5.397 6.051 -8.724 77 H ALA 11 H ALA 11 -2.718 6.753 -12.966 78 HA ALA 11 HA ALA 11 -3.129 9.542 -13.549 79 HB1 ALA 11 HB1 ALA 11 -0.951 8.099 -13.674 80 HB2 ALA 11 HB2 ALA 11 -1.529 7.638 -15.285 81 HB3 ALA 11 HB3 ALA 11 -1.175 9.338 -14.916 82 H LEU 12 H LEU 12 -3.865 6.513 -15.245 83 HA LEU 12 HA LEU 12 -4.863 7.413 -17.699 84 HB2 LEU 12 HB2 LEU 12 -4.531 5.071 -17.317 85 HB3 LEU 12 HB3 LEU 12 -5.555 5.093 -15.894 86 HG LEU 12 HG LEU 12 -7.549 5.536 -17.290 87 HD11 LEU 12 HD11 LEU 12 -7.356 5.028 -19.748 88 HD12 LEU 12 HD12 LEU 12 -5.595 5.073 -19.603 89 HD13 LEU 12 HD13 LEU 12 -6.562 6.536 -19.303 90 HD21 LEU 12 HD21 LEU 12 -6.014 3.033 -18.041 91 HD22 LEU 12 HD22 LEU 12 -7.762 3.242 -18.109 92 HD23 LEU 12 HD23 LEU 12 -6.912 3.261 -16.545 93 H ASN 13 H ASN 13 -6.442 7.207 -14.557 94 HA ASN 13 HA ASN 13 -9.098 7.824 -15.188 95 HB2 ASN 13 HB2 ASN 13 -7.781 7.261 -12.906 96 HB3 ASN 13 HB3 ASN 13 -7.753 9.015 -12.778 97 HD21 ASN 13 HD21 ASN 13 -9.673 6.165 -12.679 98 HD22 ASN 13 HD22 ASN 13 -11.196 6.889 -12.163 99 H GLN 14 H GLN 14 -6.268 10.009 -15.093 100 HA GLN 14 HA GLN 14 -7.992 12.399 -15.115 101 HB2 GLN 14 HB2 GLN 14 -4.981 12.311 -15.129 102 HB3 GLN 14 HB3 GLN 14 -6.082 13.594 -14.597 103 HG2 GLN 14 HG2 GLN 14 -6.744 11.800 -12.761 104 HG3 GLN 14 HG3 GLN 14 -5.245 11.015 -13.225 105 HE21 GLN 14 HE21 GLN 14 -4.523 11.477 -10.881 106 HE22 GLN 14 HE22 GLN 14 -3.893 13.046 -10.565 107 H GLY 15 H GLY 15 -6.801 10.204 -17.337 108 HA2 GLY 15 HA2 GLY 15 -6.913 10.371 -19.648 109 HA3 GLY 15 HA3 GLY 15 -7.010 12.132 -19.543 110 H ILE 16 H ILE 16 -4.396 10.183 -17.983 111 HA ILE 16 HA ILE 16 -2.490 11.069 -20.054 112 HB ILE 16 HB ILE 16 -2.202 12.676 -18.412 113 HG12 ILE 16 HG12 ILE 16 -0.127 11.457 -19.183 114 HG13 ILE 16 HG13 ILE 16 -0.093 12.715 -17.961 115 HG21 ILE 16 HG21 ILE 16 -1.863 12.374 -16.030 116 HG22 ILE 16 HG22 ILE 16 -3.482 11.938 -16.574 117 HG23 ILE 16 HG23 ILE 16 -2.307 10.662 -16.217 118 HD11 ILE 16 HD11 ILE 16 -0.098 9.739 -17.329 119 HD12 ILE 16 HD12 ILE 16 1.354 10.747 -17.473 120 HD13 ILE 16 HD13 ILE 16 0.190 11.080 -16.190 121 H THR 17 H THR 17 -0.720 9.618 -20.369 122 HA THR 17 HA THR 17 -1.065 6.919 -19.166 123 HB THR 17 HB THR 17 -0.638 7.835 -22.037 124 HG1 THR 17 HG1 THR 17 -2.505 6.665 -22.351 125 HG21 THR 17 HG21 THR 17 0.843 5.928 -21.786 126 HG22 THR 17 HG22 THR 17 -0.586 5.463 -22.717 127 HG23 THR 17 HG23 THR 17 -0.451 4.990 -21.013 128 H LEU 18 H LEU 18 0.929 5.686 -19.176 129 HA LEU 18 HA LEU 18 3.367 7.380 -18.967 130 HB2 LEU 18 HB2 LEU 18 2.624 5.012 -17.140 131 HB3 LEU 18 HB3 LEU 18 4.120 5.914 -17.173 132 HG LEU 18 HG LEU 18 2.914 6.625 -15.309 133 HD11 LEU 18 HD11 LEU 18 2.522 8.824 -17.330 134 HD12 LEU 18 HD12 LEU 18 4.110 8.395 -16.578 135 HD13 LEU 18 HD13 LEU 18 2.748 8.987 -15.602 136 HD21 LEU 18 HD21 LEU 18 0.569 7.609 -16.924 137 HD22 LEU 18 HD22 LEU 18 0.789 7.478 -15.166 138 HD23 LEU 18 HD23 LEU 18 0.605 6.027 -16.154 139 H PHE 19 H PHE 19 5.031 6.678 -20.141 140 HA PHE 19 HA PHE 19 5.285 3.807 -20.842 141 HB2 PHE 19 HB2 PHE 19 4.813 5.963 -22.861 142 HB3 PHE 19 HB3 PHE 19 5.932 4.692 -23.275 143 HD1 PHE 19 HD1 PHE 19 2.528 5.577 -23.453 144 HD2 PHE 19 HD2 PHE 19 5.135 2.201 -22.801 145 HE1 PHE 19 HE1 PHE 19 0.733 4.039 -24.181 146 HE2 PHE 19 HE2 PHE 19 3.343 0.681 -23.583 147 HZ PHE 19 HZ PHE 19 1.140 1.580 -24.258 148 H VAL 20 H VAL 20 7.457 3.491 -22.180 149 HA VAL 20 HA VAL 20 9.603 5.120 -20.919 150 HB VAL 20 HB VAL 20 9.114 2.147 -20.801 151 HG11 VAL 20 HG11 VAL 20 11.955 3.275 -20.909 152 HG12 VAL 20 HG12 VAL 20 11.477 1.647 -20.393 153 HG13 VAL 20 HG13 VAL 20 11.233 2.123 -22.060 154 HG21 VAL 20 HG21 VAL 20 10.706 4.022 -19.031 155 HG22 VAL 20 HG22 VAL 20 8.963 3.790 -18.872 156 HG23 VAL 20 HG23 VAL 20 10.065 2.405 -18.642 157 H ALA 21 H ALA 21 11.235 5.555 -22.037 158 HA ALA 21 HA ALA 21 12.160 4.314 -24.510 159 HB1 ALA 21 HB1 ALA 21 12.004 6.548 -25.705 160 HB2 ALA 21 HB2 ALA 21 10.422 5.800 -25.435 161 HB3 ALA 21 HB3 ALA 21 10.956 7.120 -24.389 162 H ASP 22 H ASP 22 14.392 5.319 -24.920 163 HA ASP 22 HA ASP 22 16.399 6.085 -24.170 164 HB2 ASP 22 HB2 ASP 22 14.550 8.073 -24.369 165 HB3 ASP 22 HB3 ASP 22 14.946 8.271 -22.685 166 H ASN 23 H ASN 23 15.026 4.175 -22.326 167 HA ASN 23 HA ASN 23 15.113 3.302 -20.333 168 HB2 ASN 23 HB2 ASN 23 17.562 3.257 -20.992 169 HB3 ASN 23 HB3 ASN 23 17.814 4.659 -19.962 170 HD21 ASN 23 HD21 ASN 23 16.723 1.245 -19.973 171 HD22 ASN 23 HD22 ASN 23 16.866 0.964 -18.272 172 H ARG 24 H ARG 24 13.925 6.011 -20.541 173 HA ARG 24 HA ARG 24 14.056 6.805 -17.667 174 HB2 ARG 24 HB2 ARG 24 14.136 9.078 -18.208 175 HB3 ARG 24 HB3 ARG 24 15.264 8.330 -19.334 176 HG2 ARG 24 HG2 ARG 24 13.445 8.379 -21.078 177 HG3 ARG 24 HG3 ARG 24 12.440 9.285 -19.961 178 HD2 ARG 24 HD2 ARG 24 15.167 10.157 -20.991 179 HD3 ARG 24 HD3 ARG 24 13.606 10.701 -21.632 180 HE ARG 24 HE ARG 24 13.386 11.208 -18.948 181 HH11 ARG 24 HH11 ARG 24 15.704 12.344 -21.472 182 HH12 ARG 24 HH12 ARG 24 16.047 13.786 -20.581 183 HH21 ARG 24 HH21 ARG 24 13.864 13.101 -17.906 184 HH22 ARG 24 HH22 ARG 24 14.937 14.272 -18.658 185 H LEU 25 H LEU 25 12.209 7.905 -16.828 186 HA LEU 25 HA LEU 25 9.739 6.624 -17.658 187 HB2 LEU 25 HB2 LEU 25 10.462 7.112 -15.220 188 HB3 LEU 25 HB3 LEU 25 10.361 8.806 -15.567 189 HG LEU 25 HG LEU 25 8.492 7.755 -14.238 190 HD11 LEU 25 HD11 LEU 25 7.472 9.266 -16.645 191 HD12 LEU 25 HD12 LEU 25 8.321 10.011 -15.269 192 HD13 LEU 25 HD13 LEU 25 6.781 9.175 -15.024 193 HD21 LEU 25 HD21 LEU 25 7.463 6.744 -16.912 194 HD22 LEU 25 HD22 LEU 25 6.654 6.669 -15.343 195 HD23 LEU 25 HD23 LEU 25 8.129 5.734 -15.600 196 H GLN 26 H GLN 26 8.177 7.518 -18.961 197 HA GLN 26 HA GLN 26 8.168 10.422 -19.486 198 HB2 GLN 26 HB2 GLN 26 8.319 8.119 -21.444 199 HB3 GLN 26 HB3 GLN 26 7.424 9.562 -21.874 200 HG2 GLN 26 HG2 GLN 26 9.237 10.755 -22.304 201 HG3 GLN 26 HG3 GLN 26 10.026 10.341 -20.787 202 HE21 GLN 26 HE21 GLN 26 10.472 7.582 -21.069 203 HE22 GLN 26 HE22 GLN 26 11.654 7.455 -22.311 204 H TYR 27 H TYR 27 6.103 10.973 -20.508 205 HA TYR 27 HA TYR 27 3.763 9.364 -19.850 206 HB2 TYR 27 HB2 TYR 27 2.838 11.630 -18.836 207 HB3 TYR 27 HB3 TYR 27 3.677 10.498 -17.810 208 HD1 TYR 27 HD1 TYR 27 5.945 10.949 -16.996 209 HD2 TYR 27 HD2 TYR 27 3.853 13.804 -19.453 210 HE1 TYR 27 HE1 TYR 27 7.724 12.612 -16.553 211 HE2 TYR 27 HE2 TYR 27 5.565 15.502 -18.954 212 HH TYR 27 HH TYR 27 7.803 15.752 -18.208 213 H GLU 28 H GLU 28 2.009 10.068 -21.036 214 HA GLU 28 HA GLU 28 2.366 12.347 -22.911 215 HB2 GLU 28 HB2 GLU 28 3.178 10.339 -24.121 216 HB3 GLU 28 HB3 GLU 28 1.663 9.527 -23.769 217 HG2 GLU 28 HG2 GLU 28 1.353 10.260 -25.949 218 HG3 GLU 28 HG3 GLU 28 0.514 11.477 -25.012 219 H THR 29 H THR 29 0.528 13.488 -23.049 220 HA THR 29 HA THR 29 -2.078 12.281 -22.554 221 HB THR 29 HB THR 29 -1.241 12.968 -20.339 222 HG1 THR 29 HG1 THR 29 -3.430 13.203 -20.648 223 HG21 THR 29 HG21 THR 29 -1.031 15.798 -21.427 224 HG22 THR 29 HG22 THR 29 0.312 14.783 -20.865 225 HG23 THR 29 HG23 THR 29 -0.924 15.327 -19.722 226 H SER 30 H SER 30 -3.754 13.645 -23.446 227 HA SER 30 HA SER 30 -2.779 15.398 -25.588 228 HB2 SER 30 HB2 SER 30 -5.635 14.689 -24.831 229 HB3 SER 30 HB3 SER 30 -5.025 15.252 -26.400 230 HG SER 30 HG SER 30 -4.020 13.306 -26.718 231 H ARG 31 H ARG 31 -3.452 15.756 -22.346 232 HA ARG 31 HA ARG 31 -5.200 17.987 -22.161 233 HB2 ARG 31 HB2 ARG 31 -2.982 16.910 -20.353 234 HB3 ARG 31 HB3 ARG 31 -4.044 18.231 -19.898 235 HG2 ARG 31 HG2 ARG 31 -6.033 16.743 -20.267 236 HG3 ARG 31 HG3 ARG 31 -4.966 15.410 -20.612 237 HD2 ARG 31 HD2 ARG 31 -5.064 14.914 -18.412 238 HD3 ARG 31 HD3 ARG 31 -3.983 16.272 -18.139 239 HE ARG 31 HE ARG 31 -6.818 17.000 -18.402 240 HH11 ARG 31 HH11 ARG 31 -4.559 15.828 -15.837 241 HH12 ARG 31 HH12 ARG 31 -5.419 16.708 -14.625 242 HH21 ARG 31 HH21 ARG 31 -7.920 17.934 -16.778 243 HH22 ARG 31 HH22 ARG 31 -7.483 17.736 -15.113 244 H ASP 32 H ASP 32 -4.612 20.151 -21.516 245 HA ASP 32 HA ASP 32 -2.896 21.461 -23.385 246 HB2 ASP 32 HB2 ASP 32 -4.838 22.503 -22.347 247 HB3 ASP 32 HB3 ASP 32 -4.132 22.304 -20.742 248 H ASN 33 H ASN 33 -2.458 20.520 -19.969 249 HA ASN 33 HA ASN 33 0.418 20.444 -20.222 250 HB2 ASN 33 HB2 ASN 33 -0.586 22.912 -19.451 251 HB3 ASN 33 HB3 ASN 33 -0.459 22.112 -17.889 252 HD21 ASN 33 HD21 ASN 33 1.229 23.919 -20.160 253 HD22 ASN 33 HD22 ASN 33 2.871 23.443 -19.763 254 H ILE 34 H ILE 34 1.227 19.872 -17.800 255 HA ILE 34 HA ILE 34 -0.734 18.042 -16.566 256 HB ILE 34 HB ILE 34 0.912 16.841 -17.958 257 HG12 ILE 34 HG12 ILE 34 1.903 15.391 -16.013 258 HG13 ILE 34 HG13 ILE 34 0.972 16.432 -14.946 259 HG21 ILE 34 HG21 ILE 34 3.252 16.739 -17.449 260 HG22 ILE 34 HG22 ILE 34 2.821 18.434 -17.732 261 HG23 ILE 34 HG23 ILE 34 3.047 17.848 -16.070 262 HD11 ILE 34 HD11 ILE 34 -1.112 15.835 -16.245 263 HD12 ILE 34 HD12 ILE 34 -0.131 14.821 -17.301 264 HD13 ILE 34 HD13 ILE 34 -0.308 14.390 -15.586 265 HA PRO 35 HA PRO 35 0.324 20.633 -13.095 266 HB2 PRO 35 HB2 PRO 35 -0.633 18.964 -11.072 267 HB3 PRO 35 HB3 PRO 35 -1.638 20.122 -12.009 268 HG2 PRO 35 HG2 PRO 35 -1.261 17.186 -12.209 269 HG3 PRO 35 HG3 PRO 35 -2.748 18.129 -12.534 270 HD2 PRO 35 HD2 PRO 35 -1.081 17.080 -14.464 271 HD3 PRO 35 HD3 PRO 35 -2.053 18.542 -14.753 272 H GLU 36 H GLU 36 1.778 20.715 -11.300 273 HA GLU 36 HA GLU 36 4.070 19.047 -11.568 274 HB2 GLU 36 HB2 GLU 36 4.825 20.109 -9.427 275 HB3 GLU 36 HB3 GLU 36 4.346 21.280 -10.687 276 HG2 GLU 36 HG2 GLU 36 2.163 21.598 -9.598 277 HG3 GLU 36 HG3 GLU 36 2.558 20.421 -8.356 278 H GLU 37 H GLU 37 1.290 18.811 -9.504 279 HA GLU 37 HA GLU 37 2.406 17.014 -7.551 280 HB2 GLU 37 HB2 GLU 37 -0.077 16.294 -7.317 281 HB3 GLU 37 HB3 GLU 37 0.412 17.923 -6.835 282 HG2 GLU 37 HG2 GLU 37 -0.557 18.935 -8.742 283 HG3 GLU 37 HG3 GLU 37 -0.703 17.389 -9.585 284 H LEU 38 H LEU 38 0.770 16.473 -10.676 285 HA LEU 38 HA LEU 38 0.792 13.609 -10.590 286 HB2 LEU 38 HB2 LEU 38 0.611 15.731 -12.731 287 HB3 LEU 38 HB3 LEU 38 0.899 14.103 -13.251 288 HG LEU 38 HG LEU 38 -1.505 15.105 -13.148 289 HD11 LEU 38 HD11 LEU 38 -0.894 12.790 -13.848 290 HD12 LEU 38 HD12 LEU 38 -2.432 12.817 -12.985 291 HD13 LEU 38 HD13 LEU 38 -0.963 12.324 -12.138 292 HD21 LEU 38 HD21 LEU 38 -1.436 13.923 -10.349 293 HD22 LEU 38 HD22 LEU 38 -2.786 14.714 -11.192 294 HD23 LEU 38 HD23 LEU 38 -1.408 15.658 -10.676 295 H LEU 39 H LEU 39 3.026 16.029 -11.912 296 HA LEU 39 HA LEU 39 4.859 14.136 -13.024 297 HB2 LEU 39 HB2 LEU 39 5.306 16.972 -11.947 298 HB3 LEU 39 HB3 LEU 39 6.558 16.048 -12.751 299 HG LEU 39 HG LEU 39 3.916 16.883 -14.028 300 HD11 LEU 39 HD11 LEU 39 5.440 18.779 -13.580 301 HD12 LEU 39 HD12 LEU 39 5.310 18.445 -15.302 302 HD13 LEU 39 HD13 LEU 39 6.761 17.921 -14.407 303 HD21 LEU 39 HD21 LEU 39 5.136 16.196 -16.148 304 HD22 LEU 39 HD22 LEU 39 4.676 14.856 -15.102 305 HD23 LEU 39 HD23 LEU 39 6.361 15.423 -15.122 306 H ASN 40 H ASN 40 4.870 15.849 -9.897 307 HA ASN 40 HA ASN 40 7.137 14.630 -8.808 308 HB2 ASN 40 HB2 ASN 40 4.679 15.951 -7.657 309 HB3 ASN 40 HB3 ASN 40 5.717 15.043 -6.566 310 HD21 ASN 40 HD21 ASN 40 5.343 17.948 -8.330 311 HD22 ASN 40 HD22 ASN 40 6.756 18.778 -7.698 312 H GLU 41 H GLU 41 3.779 13.478 -8.761 313 HA GLU 41 HA GLU 41 4.178 11.308 -6.989 314 HB2 GLU 41 HB2 GLU 41 2.145 12.183 -8.985 315 HB3 GLU 41 HB3 GLU 41 1.952 10.607 -8.201 316 HG2 GLU 41 HG2 GLU 41 1.943 11.549 -6.026 317 HG3 GLU 41 HG3 GLU 41 2.446 13.126 -6.573 318 H TRP 42 H TRP 42 3.955 11.282 -10.577 319 HA TRP 42 HA TRP 42 4.668 8.521 -10.774 320 HB2 TRP 42 HB2 TRP 42 4.940 10.638 -12.912 321 HB3 TRP 42 HB3 TRP 42 4.733 8.904 -13.138 322 HD1 TRP 42 HD1 TRP 42 2.895 10.981 -14.508 323 HE1 TRP 42 HE1 TRP 42 0.374 10.992 -14.159 324 HE3 TRP 42 HE3 TRP 42 2.636 8.628 -9.919 325 HZ2 TRP 42 HZ2 TRP 42 -1.515 10.179 -12.139 326 HZ3 TRP 42 HZ3 TRP 42 0.469 8.402 -8.789 327 HH2 TRP 42 HH2 TRP 42 -1.611 9.110 -9.902 328 H LYS 43 H LYS 43 6.621 11.509 -10.812 329 HA LYS 43 HA LYS 43 9.058 10.241 -11.655 330 HB2 LYS 43 HB2 LYS 43 8.471 12.772 -10.083 331 HB3 LYS 43 HB3 LYS 43 10.110 12.283 -10.511 332 HG2 LYS 43 HG2 LYS 43 9.668 12.403 -12.875 333 HG3 LYS 43 HG3 LYS 43 7.946 12.534 -12.646 334 HD2 LYS 43 HD2 LYS 43 8.529 14.757 -13.073 335 HD3 LYS 43 HD3 LYS 43 8.411 14.709 -11.317 336 HE2 LYS 43 HE2 LYS 43 10.414 15.905 -11.788 337 HE3 LYS 43 HE3 LYS 43 10.937 14.295 -11.268 338 HZ1 LYS 43 HZ1 LYS 43 11.095 13.722 -13.650 339 HZ2 LYS 43 HZ2 LYS 43 12.112 14.930 -13.230 340 HZ3 LYS 43 HZ3 LYS 43 10.692 15.267 -14.038 341 H TYR 44 H TYR 44 7.348 10.400 -8.556 342 HA TYR 44 HA TYR 44 9.537 9.851 -6.846 343 HB2 TYR 44 HB2 TYR 44 7.106 10.476 -6.243 344 HB3 TYR 44 HB3 TYR 44 6.713 8.784 -6.425 345 HD1 TYR 44 HD1 TYR 44 8.077 11.329 -4.300 346 HD2 TYR 44 HD2 TYR 44 7.956 7.054 -4.923 347 HE1 TYR 44 HE1 TYR 44 8.877 10.980 -2.034 348 HE2 TYR 44 HE2 TYR 44 8.729 6.690 -2.608 349 HH TYR 44 HH TYR 44 9.138 9.403 -0.312 350 H TYR 45 H TYR 45 7.079 7.542 -8.152 351 HA TYR 45 HA TYR 45 8.778 5.240 -7.696 352 HB2 TYR 45 HB2 TYR 45 5.916 5.696 -8.680 353 HB3 TYR 45 HB3 TYR 45 6.635 4.112 -8.460 354 HD1 TYR 45 HD1 TYR 45 7.715 3.545 -6.174 355 HD2 TYR 45 HD2 TYR 45 4.818 6.695 -6.757 356 HE1 TYR 45 HE1 TYR 45 7.284 3.573 -3.758 357 HE2 TYR 45 HE2 TYR 45 4.342 6.700 -4.323 358 HH TYR 45 HH TYR 45 6.230 4.738 -2.011 359 H ARG 46 H ARG 46 9.515 7.347 -9.830 360 HA ARG 46 HA ARG 46 8.827 6.498 -12.333 361 HB2 ARG 46 HB2 ARG 46 10.538 7.712 -13.230 362 HB3 ARG 46 HB3 ARG 46 10.328 8.509 -11.721 363 HG2 ARG 46 HG2 ARG 46 12.474 6.417 -12.310 364 HG3 ARG 46 HG3 ARG 46 12.692 8.146 -12.506 365 HD2 ARG 46 HD2 ARG 46 12.701 8.631 -10.342 366 HD3 ARG 46 HD3 ARG 46 11.600 7.339 -9.877 367 HE ARG 46 HE ARG 46 14.318 6.492 -10.640 368 HH11 ARG 46 HH11 ARG 46 11.923 6.975 -7.909 369 HH12 ARG 46 HH12 ARG 46 12.880 6.004 -6.864 370 HH21 ARG 46 HH21 ARG 46 15.431 5.133 -9.094 371 HH22 ARG 46 HH22 ARG 46 14.588 4.758 -7.630 372 H GLN 47 H GLN 47 11.493 4.981 -10.401 373 HA GLN 47 HA GLN 47 12.114 3.236 -12.602 374 HB2 GLN 47 HB2 GLN 47 13.510 3.979 -10.437 375 HB3 GLN 47 HB3 GLN 47 12.891 2.448 -9.826 376 HG2 GLN 47 HG2 GLN 47 14.490 2.903 -12.387 377 HG3 GLN 47 HG3 GLN 47 15.102 2.201 -10.887 378 HE21 GLN 47 HE21 GLN 47 14.285 1.272 -13.947 379 HE22 GLN 47 HE22 GLN 47 13.595 -0.289 -13.583 380 H ASP 48 H ASP 48 9.937 2.996 -9.681 381 HA ASP 48 HA ASP 48 9.442 0.228 -9.939 382 HB2 ASP 48 HB2 ASP 48 8.694 2.214 -8.216 383 HB3 ASP 48 HB3 ASP 48 7.214 2.077 -9.170 384 H LEU 49 H LEU 49 8.029 3.062 -11.371 385 HA LEU 49 HA LEU 49 5.966 1.903 -12.955 386 HB2 LEU 49 HB2 LEU 49 7.333 4.616 -12.962 387 HB3 LEU 49 HB3 LEU 49 6.524 4.088 -14.394 388 HG LEU 49 HG LEU 49 4.715 3.564 -12.226 389 HD11 LEU 49 HD11 LEU 49 5.877 5.281 -10.921 390 HD12 LEU 49 HD12 LEU 49 4.314 5.887 -11.463 391 HD13 LEU 49 HD13 LEU 49 5.798 6.415 -12.289 392 HD21 LEU 49 HD21 LEU 49 4.122 3.903 -14.524 393 HD22 LEU 49 HD22 LEU 49 4.666 5.602 -14.431 394 HD23 LEU 49 HD23 LEU 49 3.283 5.046 -13.452 395 H ILE 50 H ILE 50 9.088 3.307 -14.027 396 HA ILE 50 HA ILE 50 9.151 2.500 -16.579 397 HB ILE 50 HB ILE 50 11.401 2.613 -14.537 398 HG12 ILE 50 HG12 ILE 50 11.306 4.356 -16.991 399 HG13 ILE 50 HG13 ILE 50 10.186 4.703 -15.700 400 HG21 ILE 50 HG21 ILE 50 11.715 1.790 -17.435 401 HG22 ILE 50 HG22 ILE 50 13.038 2.564 -16.554 402 HG23 ILE 50 HG23 ILE 50 12.371 1.034 -15.990 403 HD11 ILE 50 HD11 ILE 50 12.142 4.938 -14.113 404 HD12 ILE 50 HD12 ILE 50 13.236 4.446 -15.400 405 HD13 ILE 50 HD13 ILE 50 12.375 5.980 -15.512 406 H ASP 51 H ASP 51 10.260 0.374 -13.892 407 HA ASP 51 HA ASP 51 11.144 -1.721 -15.411 408 HB2 ASP 51 HB2 ASP 51 11.081 -1.352 -12.847 409 HB3 ASP 51 HB3 ASP 51 9.433 -1.950 -12.874 410 H PHE 52 H PHE 52 7.723 -1.162 -14.414 411 HA PHE 52 HA PHE 52 6.689 -3.461 -15.888 412 HB2 PHE 52 HB2 PHE 52 5.482 -1.025 -14.520 413 HB3 PHE 52 HB3 PHE 52 4.511 -1.952 -15.625 414 HD1 PHE 52 HD1 PHE 52 6.623 -2.448 -12.543 415 HD2 PHE 52 HD2 PHE 52 3.233 -3.759 -14.883 416 HE1 PHE 52 HE1 PHE 52 5.903 -3.942 -10.703 417 HE2 PHE 52 HE2 PHE 52 2.539 -5.252 -13.054 418 HZ PHE 52 HZ PHE 52 3.877 -5.346 -10.933 419 H LEU 53 H LEU 53 7.162 0.025 -16.523 420 HA LEU 53 HA LEU 53 5.569 0.199 -18.863 421 HB2 LEU 53 HB2 LEU 53 8.026 1.786 -18.218 422 HB3 LEU 53 HB3 LEU 53 6.858 2.237 -19.422 423 HG LEU 53 HG LEU 53 6.681 2.371 -16.457 424 HD11 LEU 53 HD11 LEU 53 5.836 4.289 -18.529 425 HD12 LEU 53 HD12 LEU 53 7.367 4.335 -17.628 426 HD13 LEU 53 HD13 LEU 53 5.836 4.552 -16.779 427 HD21 LEU 53 HD21 LEU 53 4.273 2.820 -16.546 428 HD22 LEU 53 HD22 LEU 53 4.700 1.145 -16.869 429 HD23 LEU 53 HD23 LEU 53 4.253 2.226 -18.228 430 H GLN 54 H GLN 54 8.918 -0.793 -18.426 431 HA GLN 54 HA GLN 54 9.693 -0.917 -21.169 432 HB2 GLN 54 HB2 GLN 54 10.541 -2.927 -19.045 433 HB3 GLN 54 HB3 GLN 54 11.459 -2.410 -20.450 434 HG2 GLN 54 HG2 GLN 54 11.076 -0.066 -19.017 435 HG3 GLN 54 HG3 GLN 54 11.226 -1.267 -17.738 436 HE21 GLN 54 HE21 GLN 54 12.845 0.647 -19.798 437 HE22 GLN 54 HE22 GLN 54 14.491 0.061 -19.702 438 H GLN 55 H GLN 55 7.758 -3.022 -19.171 439 HA GLN 55 HA GLN 55 7.632 -5.249 -21.109 440 HB2 GLN 55 HB2 GLN 55 6.041 -4.850 -18.546 441 HB3 GLN 55 HB3 GLN 55 6.238 -6.342 -19.450 442 HG2 GLN 55 HG2 GLN 55 8.437 -4.850 -17.970 443 HG3 GLN 55 HG3 GLN 55 7.599 -6.284 -17.391 444 HE21 GLN 55 HE21 GLN 55 9.991 -5.107 -19.762 445 HE22 GLN 55 HE22 GLN 55 10.422 -6.699 -20.361 446 H LEU 56 H LEU 56 5.737 -2.396 -20.214 447 HA LEU 56 HA LEU 56 3.222 -3.297 -21.331 448 HB2 LEU 56 HB2 LEU 56 4.323 -0.738 -20.286 449 HB3 LEU 56 HB3 LEU 56 3.196 -0.552 -21.616 450 HG LEU 56 HG LEU 56 1.578 -2.077 -20.358 451 HD11 LEU 56 HD11 LEU 56 3.226 -3.072 -18.780 452 HD12 LEU 56 HD12 LEU 56 1.870 -2.311 -17.935 453 HD13 LEU 56 HD13 LEU 56 3.442 -1.481 -18.015 454 HD21 LEU 56 HD21 LEU 56 0.845 -0.264 -18.831 455 HD22 LEU 56 HD22 LEU 56 1.236 0.303 -20.458 456 HD23 LEU 56 HD23 LEU 56 2.381 0.586 -19.124 457 H ASP 57 H ASP 57 5.914 -1.257 -22.539 458 HA ASP 57 HA ASP 57 4.821 -1.273 -25.283 459 HB2 ASP 57 HB2 ASP 57 6.139 0.609 -24.141 460 HB3 ASP 57 HB3 ASP 57 7.582 -0.370 -24.382 461 H ALA 58 H ALA 58 6.738 -3.274 -23.306 462 HA ALA 58 HA ALA 58 8.105 -5.065 -23.551 463 HB1 ALA 58 HB1 ALA 58 6.300 -5.484 -25.962 464 HB2 ALA 58 HB2 ALA 58 7.257 -6.742 -25.149 465 HB3 ALA 58 HB3 ALA 58 5.928 -5.938 -24.285 466 H LYS 59 H LYS 59 9.171 -2.621 -24.640 467 HA LYS 59 HA LYS 59 10.938 -3.651 -26.809 468 HB2 LYS 59 HB2 LYS 59 9.012 -2.034 -27.466 469 HB3 LYS 59 HB3 LYS 59 9.780 -0.855 -26.431 470 HG2 LYS 59 HG2 LYS 59 10.398 -0.269 -28.602 471 HG3 LYS 59 HG3 LYS 59 11.818 -0.984 -27.924 472 HD2 LYS 59 HD2 LYS 59 11.706 -1.892 -30.089 473 HD3 LYS 59 HD3 LYS 59 11.108 -3.192 -29.055 474 HE2 LYS 59 HE2 LYS 59 9.707 -3.016 -31.022 475 HE3 LYS 59 HE3 LYS 59 8.772 -2.540 -29.593 476 HZ1 LYS 59 HZ1 LYS 59 9.048 -0.254 -30.196 477 HZ2 LYS 59 HZ2 LYS 59 8.477 -1.062 -31.496 478 HZ3 LYS 59 HZ3 LYS 59 10.074 -0.647 -31.447 479 H GLU 60 H GLU 60 12.921 -2.431 -26.971 480 HA GLU 60 HA GLU 60 13.917 -0.863 -24.753 481 HB2 GLU 60 HB2 GLU 60 14.994 -3.605 -25.542 482 HB3 GLU 60 HB3 GLU 60 16.077 -2.367 -24.903 483 HG2 GLU 60 HG2 GLU 60 13.632 -3.259 -23.396 484 HG3 GLU 60 HG3 GLU 60 15.203 -4.027 -23.232 485 H GLU 61 H GLU 61 16.265 -0.156 -25.468 486 HA GLU 61 HA GLU 61 16.524 0.103 -28.377 487 HB2 GLU 61 HB2 GLU 61 15.093 1.991 -27.002 488 HB3 GLU 61 HB3 GLU 61 16.710 2.611 -26.738 489 HG2 GLU 61 HG2 GLU 61 15.835 1.879 -29.550 490 HG3 GLU 61 HG3 GLU 61 15.180 3.328 -28.813 491 H THR 62 H THR 62 18.839 1.623 -28.538 492 HA THR 62 HA THR 62 20.660 0.564 -26.433 493 HB THR 62 HB THR 62 22.235 0.027 -28.389 494 HG1 THR 62 HG1 THR 62 21.292 0.950 -30.109 495 HG21 THR 62 HG21 THR 62 19.695 -1.634 -28.212 496 HG22 THR 62 HG22 THR 62 21.068 -1.723 -27.088 497 HG23 THR 62 HG23 THR 62 21.291 -2.173 -28.780 498 H GLN 63 H GLN 63 22.991 1.450 -27.065 499 HA GLN 63 HA GLN 63 22.806 4.373 -27.510 500 HB2 GLN 63 HB2 GLN 63 23.168 3.852 -25.078 501 HB3 GLN 63 HB3 GLN 63 24.539 2.832 -25.513 502 HG2 GLN 63 HG2 GLN 63 25.595 4.881 -26.620 503 HG3 GLN 63 HG3 GLN 63 24.248 5.813 -25.970 504 HE21 GLN 63 HE21 GLN 63 27.145 3.957 -25.170 505 HE22 GLN 63 HE22 GLN 63 27.280 4.516 -23.504 Start of MODEL 14 1 H1 MET 1 H MET 1 4.628 -1.301 -1.011 2 HA MET 1 HA MET 1 2.262 -1.479 -0.920 3 HB2 MET 1 HB2 MET 1 3.446 0.573 0.133 4 HB3 MET 1 HB3 MET 1 2.715 1.495 -1.202 5 HG2 MET 1 HG2 MET 1 1.287 1.607 0.737 6 HG3 MET 1 HG3 MET 1 0.470 0.614 -0.461 7 HE1 MET 1 HE1 MET 1 -0.275 0.876 2.492 8 HE2 MET 1 HE2 MET 1 -1.162 -0.289 1.493 9 HE3 MET 1 HE3 MET 1 -0.520 -0.782 3.083 10 H LYS 2 H LYS 2 3.293 0.255 -4.003 11 HA LYS 2 HA LYS 2 0.638 -0.464 -5.017 12 HB2 LYS 2 HB2 LYS 2 0.466 1.852 -4.071 13 HB3 LYS 2 HB3 LYS 2 1.727 2.357 -5.198 14 HG2 LYS 2 HG2 LYS 2 0.269 1.672 -7.090 15 HG3 LYS 2 HG3 LYS 2 -1.013 1.235 -5.972 16 HD2 LYS 2 HD2 LYS 2 -0.761 3.703 -5.076 17 HD3 LYS 2 HD3 LYS 2 0.200 3.992 -6.516 18 HE2 LYS 2 HE2 LYS 2 -1.781 4.606 -7.389 19 HE3 LYS 2 HE3 LYS 2 -1.924 2.869 -7.724 20 HZ1 LYS 2 HZ1 LYS 2 -3.882 3.837 -6.655 21 HZ2 LYS 2 HZ2 LYS 2 -3.012 4.288 -5.367 22 HZ3 LYS 2 HZ3 LYS 2 -3.247 2.674 -5.695 23 H ASN 3 H ASN 3 1.214 -1.699 -6.625 24 HA ASN 3 HA ASN 3 3.751 -1.626 -7.983 25 HB2 ASN 3 HB2 ASN 3 1.445 -2.735 -9.529 26 HB3 ASN 3 HB3 ASN 3 3.041 -3.408 -9.252 27 HD21 ASN 3 HD21 ASN 3 -0.045 -4.215 -8.851 28 HD22 ASN 3 HD22 ASN 3 0.047 -5.010 -7.304 29 H ALA 4 H ALA 4 4.120 -1.013 -10.195 30 HA ALA 4 HA ALA 4 3.481 1.488 -11.006 31 HB1 ALA 4 HB1 ALA 4 4.056 -0.974 -12.704 32 HB2 ALA 4 HB2 ALA 4 4.225 0.699 -13.255 33 HB3 ALA 4 HB3 ALA 4 5.255 0.081 -11.933 34 H ALA 5 H ALA 5 1.880 -1.482 -11.971 35 HA ALA 5 HA ALA 5 0.141 -0.588 -13.905 36 HB1 ALA 5 HB1 ALA 5 -0.446 -2.739 -11.810 37 HB2 ALA 5 HB2 ALA 5 -1.282 -2.541 -13.362 38 HB3 ALA 5 HB3 ALA 5 0.436 -2.969 -13.338 39 H GLN 6 H GLN 6 -0.377 -0.514 -10.377 40 HA GLN 6 HA GLN 6 -3.068 0.510 -10.492 41 HB2 GLN 6 HB2 GLN 6 -0.930 0.345 -8.330 42 HB3 GLN 6 HB3 GLN 6 -2.542 1.022 -8.045 43 HG2 GLN 6 HG2 GLN 6 -3.600 -1.020 -8.527 44 HG3 GLN 6 HG3 GLN 6 -2.100 -1.790 -9.085 45 HE21 GLN 6 HE21 GLN 6 -0.359 -1.931 -7.343 46 HE22 GLN 6 HE22 GLN 6 -0.892 -2.236 -5.681 47 H ILE 7 H ILE 7 0.197 1.971 -10.217 48 HA ILE 7 HA ILE 7 -0.707 4.616 -9.651 49 HB ILE 7 HB ILE 7 1.895 3.952 -11.111 50 HG12 ILE 7 HG12 ILE 7 1.098 3.309 -8.318 51 HG13 ILE 7 HG13 ILE 7 2.172 2.463 -9.417 52 HG21 ILE 7 HG21 ILE 7 1.173 6.328 -10.890 53 HG22 ILE 7 HG22 ILE 7 1.062 6.121 -9.128 54 HG23 ILE 7 HG23 ILE 7 2.630 6.020 -9.956 55 HD11 ILE 7 HD11 ILE 7 2.837 4.998 -7.833 56 HD12 ILE 7 HD12 ILE 7 3.364 3.364 -7.462 57 HD13 ILE 7 HD13 ILE 7 3.932 4.148 -8.951 58 H VAL 8 H VAL 8 0.251 2.971 -12.703 59 HA VAL 8 HA VAL 8 -0.205 5.151 -14.431 60 HB VAL 8 HB VAL 8 -0.182 2.147 -14.891 61 HG11 VAL 8 HG11 VAL 8 -1.423 3.107 -16.758 62 HG12 VAL 8 HG12 VAL 8 -0.153 4.304 -17.037 63 HG13 VAL 8 HG13 VAL 8 0.176 2.577 -17.271 64 HG21 VAL 8 HG21 VAL 8 2.045 2.581 -15.843 65 HG22 VAL 8 HG22 VAL 8 1.889 4.284 -15.340 66 HG23 VAL 8 HG23 VAL 8 1.944 3.003 -14.136 67 H ASP 9 H ASP 9 -2.484 2.617 -13.251 68 HA ASP 9 HA ASP 9 -4.582 3.434 -14.980 69 HB2 ASP 9 HB2 ASP 9 -4.294 1.456 -13.075 70 HB3 ASP 9 HB3 ASP 9 -5.476 2.498 -12.309 71 H GLU 10 H GLU 10 -3.552 4.639 -11.857 72 HA GLU 10 HA GLU 10 -5.854 6.377 -11.470 73 HB2 GLU 10 HB2 GLU 10 -3.237 5.924 -10.093 74 HB3 GLU 10 HB3 GLU 10 -3.795 7.599 -10.045 75 HG2 GLU 10 HG2 GLU 10 -6.045 6.781 -9.241 76 HG3 GLU 10 HG3 GLU 10 -5.405 5.136 -9.209 77 H ALA 11 H ALA 11 -2.738 6.743 -13.148 78 HA ALA 11 HA ALA 11 -3.094 9.597 -13.601 79 HB1 ALA 11 HB1 ALA 11 -1.374 7.808 -15.327 80 HB2 ALA 11 HB2 ALA 11 -1.072 9.487 -14.841 81 HB3 ALA 11 HB3 ALA 11 -0.890 8.189 -13.655 82 H LEU 12 H LEU 12 -3.712 6.588 -15.399 83 HA LEU 12 HA LEU 12 -4.671 7.611 -17.832 84 HB2 LEU 12 HB2 LEU 12 -4.246 5.266 -17.625 85 HB3 LEU 12 HB3 LEU 12 -5.301 5.117 -16.231 86 HG LEU 12 HG LEU 12 -7.295 5.545 -17.598 87 HD11 LEU 12 HD11 LEU 12 -6.358 6.874 -19.445 88 HD12 LEU 12 HD12 LEU 12 -7.040 5.391 -20.103 89 HD13 LEU 12 HD13 LEU 12 -5.281 5.533 -19.898 90 HD21 LEU 12 HD21 LEU 12 -5.544 3.291 -18.667 91 HD22 LEU 12 HD22 LEU 12 -7.305 3.404 -18.787 92 HD23 LEU 12 HD23 LEU 12 -6.542 3.238 -17.197 93 H ASN 13 H ASN 13 -6.281 7.097 -14.753 94 HA ASN 13 HA ASN 13 -8.941 7.706 -15.370 95 HB2 ASN 13 HB2 ASN 13 -7.656 6.941 -13.143 96 HB3 ASN 13 HB3 ASN 13 -7.689 8.675 -12.822 97 HD21 ASN 13 HD21 ASN 13 -9.614 5.747 -13.213 98 HD22 ASN 13 HD22 ASN 13 -11.121 6.412 -12.605 99 H GLN 14 H GLN 14 -6.173 9.906 -15.107 100 HA GLN 14 HA GLN 14 -7.881 12.324 -15.068 101 HB2 GLN 14 HB2 GLN 14 -4.864 12.250 -14.979 102 HB3 GLN 14 HB3 GLN 14 -5.975 13.515 -14.467 103 HG2 GLN 14 HG2 GLN 14 -6.683 11.579 -12.730 104 HG3 GLN 14 HG3 GLN 14 -5.073 10.993 -13.121 105 HE21 GLN 14 HE21 GLN 14 -4.474 11.336 -10.806 106 HE22 GLN 14 HE22 GLN 14 -3.959 12.942 -10.389 107 H GLY 15 H GLY 15 -6.728 10.166 -17.310 108 HA2 GLY 15 HA2 GLY 15 -6.704 10.349 -19.586 109 HA3 GLY 15 HA3 GLY 15 -6.812 12.114 -19.475 110 H ILE 16 H ILE 16 -4.227 10.147 -17.832 111 HA ILE 16 HA ILE 16 -2.320 11.055 -19.895 112 HB ILE 16 HB ILE 16 -2.088 12.744 -18.361 113 HG12 ILE 16 HG12 ILE 16 -0.036 11.519 -19.125 114 HG13 ILE 16 HG13 ILE 16 0.104 12.773 -17.924 115 HG21 ILE 16 HG21 ILE 16 -1.702 12.573 -15.963 116 HG22 ILE 16 HG22 ILE 16 -3.330 12.101 -16.457 117 HG23 ILE 16 HG23 ILE 16 -2.147 10.858 -16.054 118 HD11 ILE 16 HD11 ILE 16 0.105 9.819 -17.294 119 HD12 ILE 16 HD12 ILE 16 1.518 10.864 -17.476 120 HD13 ILE 16 HD13 ILE 16 0.384 11.159 -16.149 121 H THR 17 H THR 17 -0.951 9.558 -20.514 122 HA THR 17 HA THR 17 -1.011 6.899 -19.183 123 HB THR 17 HB THR 17 -0.084 7.583 -22.013 124 HG1 THR 17 HG1 THR 17 -1.998 7.927 -22.560 125 HG21 THR 17 HG21 THR 17 -1.128 5.012 -20.728 126 HG22 THR 17 HG22 THR 17 0.521 5.321 -21.333 127 HG23 THR 17 HG23 THR 17 -0.828 5.216 -22.463 128 H LEU 18 H LEU 18 1.052 5.717 -19.167 129 HA LEU 18 HA LEU 18 3.435 7.490 -18.956 130 HB2 LEU 18 HB2 LEU 18 2.656 5.090 -17.211 131 HB3 LEU 18 HB3 LEU 18 4.186 5.952 -17.199 132 HG LEU 18 HG LEU 18 3.007 6.669 -15.338 133 HD11 LEU 18 HD11 LEU 18 2.641 8.913 -17.316 134 HD12 LEU 18 HD12 LEU 18 4.225 8.455 -16.602 135 HD13 LEU 18 HD13 LEU 18 2.892 9.053 -15.581 136 HD21 LEU 18 HD21 LEU 18 0.899 7.550 -15.164 137 HD22 LEU 18 HD22 LEU 18 0.700 6.100 -16.147 138 HD23 LEU 18 HD23 LEU 18 0.659 7.681 -16.914 139 H PHE 19 H PHE 19 5.151 6.820 -20.118 140 HA PHE 19 HA PHE 19 5.322 3.991 -21.049 141 HB2 PHE 19 HB2 PHE 19 5.300 6.454 -22.802 142 HB3 PHE 19 HB3 PHE 19 5.974 4.924 -23.344 143 HD1 PHE 19 HD1 PHE 19 3.062 6.897 -23.398 144 HD2 PHE 19 HD2 PHE 19 4.397 2.800 -23.055 145 HE1 PHE 19 HE1 PHE 19 0.877 6.099 -24.262 146 HE2 PHE 19 HE2 PHE 19 2.212 2.025 -23.871 147 HZ PHE 19 HZ PHE 19 0.435 3.656 -24.461 148 H VAL 20 H VAL 20 7.562 3.738 -22.343 149 HA VAL 20 HA VAL 20 9.712 5.258 -21.020 150 HB VAL 20 HB VAL 20 9.162 2.296 -20.890 151 HG11 VAL 20 HG11 VAL 20 11.473 1.728 -20.457 152 HG12 VAL 20 HG12 VAL 20 11.358 2.326 -22.100 153 HG13 VAL 20 HG13 VAL 20 12.025 3.377 -20.833 154 HG21 VAL 20 HG21 VAL 20 10.066 2.549 -18.688 155 HG22 VAL 20 HG22 VAL 20 10.682 4.169 -19.049 156 HG23 VAL 20 HG23 VAL 20 8.943 3.899 -18.957 157 H ALA 21 H ALA 21 11.428 5.534 -22.119 158 HA ALA 21 HA ALA 21 12.390 4.450 -24.610 159 HB1 ALA 21 HB1 ALA 21 11.238 7.277 -24.587 160 HB2 ALA 21 HB2 ALA 21 12.147 6.500 -25.894 161 HB3 ALA 21 HB3 ALA 21 10.533 5.919 -25.478 162 H ASP 22 H ASP 22 14.513 5.323 -24.942 163 HA ASP 22 HA ASP 22 16.547 5.952 -24.176 164 HB2 ASP 22 HB2 ASP 22 15.073 8.032 -24.617 165 HB3 ASP 22 HB3 ASP 22 15.177 8.321 -22.901 166 H ASN 23 H ASN 23 15.172 4.163 -22.398 167 HA ASN 23 HA ASN 23 15.234 3.247 -20.384 168 HB2 ASN 23 HB2 ASN 23 17.636 3.226 -20.991 169 HB3 ASN 23 HB3 ASN 23 17.855 4.797 -20.230 170 HD21 ASN 23 HD21 ASN 23 16.801 1.416 -19.401 171 HD22 ASN 23 HD22 ASN 23 17.590 1.481 -17.842 172 H ARG 24 H ARG 24 14.061 6.073 -20.649 173 HA ARG 24 HA ARG 24 14.071 6.826 -17.773 174 HB2 ARG 24 HB2 ARG 24 14.054 9.079 -18.381 175 HB3 ARG 24 HB3 ARG 24 15.164 8.370 -19.556 176 HG2 ARG 24 HG2 ARG 24 13.547 8.489 -21.295 177 HG3 ARG 24 HG3 ARG 24 12.276 9.015 -20.174 178 HD2 ARG 24 HD2 ARG 24 14.791 10.568 -20.755 179 HD3 ARG 24 HD3 ARG 24 13.271 10.777 -21.644 180 HE ARG 24 HE ARG 24 12.384 10.972 -19.126 181 HH11 ARG 24 HH11 ARG 24 14.779 12.798 -20.971 182 HH12 ARG 24 HH12 ARG 24 14.923 14.084 -19.819 183 HH21 ARG 24 HH21 ARG 24 12.612 12.569 -17.560 184 HH22 ARG 24 HH22 ARG 24 13.623 13.956 -17.815 185 H LEU 25 H LEU 25 12.198 7.841 -16.964 186 HA LEU 25 HA LEU 25 9.733 6.547 -17.805 187 HB2 LEU 25 HB2 LEU 25 10.417 7.058 -15.358 188 HB3 LEU 25 HB3 LEU 25 10.317 8.743 -15.720 189 HG LEU 25 HG LEU 25 8.426 7.618 -14.428 190 HD11 LEU 25 HD11 LEU 25 8.294 9.919 -15.270 191 HD12 LEU 25 HD12 LEU 25 6.738 9.085 -15.193 192 HD13 LEU 25 HD13 LEU 25 7.533 9.313 -16.761 193 HD21 LEU 25 HD21 LEU 25 6.606 6.610 -15.595 194 HD22 LEU 25 HD22 LEU 25 8.078 5.683 -15.904 195 HD23 LEU 25 HD23 LEU 25 7.420 6.769 -17.154 196 H GLN 26 H GLN 26 8.111 7.540 -19.069 197 HA GLN 26 HA GLN 26 8.249 10.411 -19.700 198 HB2 GLN 26 HB2 GLN 26 8.329 8.072 -21.640 199 HB3 GLN 26 HB3 GLN 26 7.344 9.449 -22.027 200 HG2 GLN 26 HG2 GLN 26 9.035 10.499 -22.892 201 HG3 GLN 26 HG3 GLN 26 9.744 10.681 -21.291 202 HE21 GLN 26 HE21 GLN 26 10.176 7.539 -21.386 203 HE22 GLN 26 HE22 GLN 26 11.715 7.558 -22.219 204 H TYR 27 H TYR 27 6.067 10.997 -20.749 205 HA TYR 27 HA TYR 27 3.788 9.416 -19.868 206 HB2 TYR 27 HB2 TYR 27 2.971 11.817 -18.946 207 HB3 TYR 27 HB3 TYR 27 3.714 10.649 -17.888 208 HD1 TYR 27 HD1 TYR 27 5.890 11.080 -16.899 209 HD2 TYR 27 HD2 TYR 27 4.327 13.739 -19.912 210 HE1 TYR 27 HE1 TYR 27 7.823 12.611 -16.550 211 HE2 TYR 27 HE2 TYR 27 6.215 15.275 -19.552 212 HH TYR 27 HH TYR 27 8.330 15.484 -18.609 213 H GLU 28 H GLU 28 1.943 10.036 -21.044 214 HA GLU 28 HA GLU 28 2.214 12.239 -23.010 215 HB2 GLU 28 HB2 GLU 28 2.958 10.150 -24.104 216 HB3 GLU 28 HB3 GLU 28 1.416 9.393 -23.706 217 HG2 GLU 28 HG2 GLU 28 1.327 10.107 -25.997 218 HG3 GLU 28 HG3 GLU 28 0.243 11.118 -25.071 219 H THR 29 H THR 29 0.362 13.385 -23.119 220 HA THR 29 HA THR 29 -2.222 12.255 -22.369 221 HB THR 29 HB THR 29 -1.215 13.104 -20.282 222 HG1 THR 29 HG1 THR 29 -3.440 13.337 -20.503 223 HG21 THR 29 HG21 THR 29 -1.091 15.845 -21.599 224 HG22 THR 29 HG22 THR 29 0.299 14.857 -21.096 225 HG23 THR 29 HG23 THR 29 -0.824 15.489 -19.884 226 H SER 30 H SER 30 -3.854 14.175 -22.729 227 HA SER 30 HA SER 30 -3.113 15.703 -25.179 228 HB2 SER 30 HB2 SER 30 -5.906 14.720 -24.596 229 HB3 SER 30 HB3 SER 30 -5.208 15.312 -26.102 230 HG SER 30 HG SER 30 -4.681 12.846 -24.798 231 H ARG 31 H ARG 31 -3.470 16.026 -21.992 232 HA ARG 31 HA ARG 31 -5.486 18.052 -21.589 233 HB2 ARG 31 HB2 ARG 31 -3.004 17.169 -20.054 234 HB3 ARG 31 HB3 ARG 31 -4.116 18.399 -19.467 235 HG2 ARG 31 HG2 ARG 31 -5.973 16.808 -19.395 236 HG3 ARG 31 HG3 ARG 31 -4.998 15.563 -20.168 237 HD2 ARG 31 HD2 ARG 31 -4.882 14.965 -17.918 238 HD3 ARG 31 HD3 ARG 31 -3.368 15.811 -18.168 239 HE ARG 31 HE ARG 31 -4.171 17.682 -16.956 240 HH11 ARG 31 HH11 ARG 31 -6.531 15.016 -16.868 241 HH12 ARG 31 HH12 ARG 31 -7.513 15.754 -15.667 242 HH21 ARG 31 HH21 ARG 31 -5.409 18.614 -15.349 243 HH22 ARG 31 HH22 ARG 31 -6.809 17.813 -14.716 244 H ASP 32 H ASP 32 -4.998 20.317 -21.111 245 HA ASP 32 HA ASP 32 -3.481 21.608 -23.095 246 HB2 ASP 32 HB2 ASP 32 -4.586 22.504 -20.412 247 HB3 ASP 32 HB3 ASP 32 -3.745 23.604 -21.510 248 H ASN 33 H ASN 33 -2.541 20.527 -19.897 249 HA ASN 33 HA ASN 33 0.245 20.576 -20.368 250 HB2 ASN 33 HB2 ASN 33 0.874 22.132 -18.549 251 HB3 ASN 33 HB3 ASN 33 0.083 22.993 -19.854 252 HD21 ASN 33 HD21 ASN 33 -1.480 24.449 -19.169 253 HD22 ASN 33 HD22 ASN 33 -2.100 24.506 -17.559 254 H ILE 34 H ILE 34 1.344 19.785 -18.274 255 HA ILE 34 HA ILE 34 -0.573 18.057 -16.805 256 HB ILE 34 HB ILE 34 1.075 16.841 -18.198 257 HG12 ILE 34 HG12 ILE 34 2.061 15.431 -16.211 258 HG13 ILE 34 HG13 ILE 34 1.148 16.494 -15.158 259 HG21 ILE 34 HG21 ILE 34 3.195 17.874 -16.301 260 HG22 ILE 34 HG22 ILE 34 3.420 16.747 -17.657 261 HG23 ILE 34 HG23 ILE 34 2.992 18.437 -17.982 262 HD11 ILE 34 HD11 ILE 34 -0.092 14.397 -15.778 263 HD12 ILE 34 HD12 ILE 34 -0.960 15.836 -16.363 264 HD13 ILE 34 HD13 ILE 34 -0.011 14.870 -17.488 265 HA PRO 35 HA PRO 35 0.622 20.753 -13.427 266 HB2 PRO 35 HB2 PRO 35 -0.390 19.189 -11.362 267 HB3 PRO 35 HB3 PRO 35 -1.389 20.314 -12.357 268 HG2 PRO 35 HG2 PRO 35 -0.968 17.378 -12.408 269 HG3 PRO 35 HG3 PRO 35 -2.500 18.252 -12.733 270 HD2 PRO 35 HD2 PRO 35 -0.863 17.159 -14.652 271 HD3 PRO 35 HD3 PRO 35 -1.873 18.580 -14.976 272 H GLU 36 H GLU 36 2.263 20.781 -11.753 273 HA GLU 36 HA GLU 36 4.315 18.841 -12.074 274 HB2 GLU 36 HB2 GLU 36 5.444 19.902 -10.231 275 HB3 GLU 36 HB3 GLU 36 4.720 21.139 -11.301 276 HG2 GLU 36 HG2 GLU 36 2.720 21.091 -9.612 277 HG3 GLU 36 HG3 GLU 36 3.805 20.204 -8.543 278 H GLU 37 H GLU 37 1.574 18.968 -9.824 279 HA GLU 37 HA GLU 37 2.724 17.195 -7.869 280 HB2 GLU 37 HB2 GLU 37 0.439 16.836 -7.079 281 HB3 GLU 37 HB3 GLU 37 0.871 18.522 -7.244 282 HG2 GLU 37 HG2 GLU 37 -0.334 17.937 -9.716 283 HG3 GLU 37 HG3 GLU 37 -1.280 17.007 -8.578 284 H LEU 38 H LEU 38 0.892 16.622 -10.891 285 HA LEU 38 HA LEU 38 0.643 13.784 -10.584 286 HB2 LEU 38 HB2 LEU 38 0.617 15.771 -12.859 287 HB3 LEU 38 HB3 LEU 38 0.756 14.097 -13.268 288 HG LEU 38 HG LEU 38 -1.544 15.279 -13.205 289 HD11 LEU 38 HD11 LEU 38 -1.342 12.560 -11.915 290 HD12 LEU 38 HD12 LEU 38 -1.065 12.840 -13.656 291 HD13 LEU 38 HD13 LEU 38 -2.642 13.161 -12.968 292 HD21 LEU 38 HD21 LEU 38 -1.473 14.351 -10.299 293 HD22 LEU 38 HD22 LEU 38 -2.846 15.065 -11.161 294 HD23 LEU 38 HD23 LEU 38 -1.426 16.041 -10.795 295 H LEU 39 H LEU 39 3.027 15.916 -12.160 296 HA LEU 39 HA LEU 39 4.714 13.829 -13.097 297 HB2 LEU 39 HB2 LEU 39 5.307 16.715 -12.304 298 HB3 LEU 39 HB3 LEU 39 6.539 15.656 -12.966 299 HG LEU 39 HG LEU 39 3.942 16.286 -14.432 300 HD11 LEU 39 HD11 LEU 39 5.164 18.361 -14.168 301 HD12 LEU 39 HD12 LEU 39 5.459 17.766 -15.812 302 HD13 LEU 39 HD13 LEU 39 6.701 17.562 -14.566 303 HD21 LEU 39 HD21 LEU 39 5.142 14.187 -15.157 304 HD22 LEU 39 HD22 LEU 39 6.605 15.150 -15.402 305 HD23 LEU 39 HD23 LEU 39 5.169 15.452 -16.395 306 H ASN 40 H ASN 40 4.893 15.739 -10.097 307 HA ASN 40 HA ASN 40 7.127 14.462 -8.951 308 HB2 ASN 40 HB2 ASN 40 4.813 16.078 -7.880 309 HB3 ASN 40 HB3 ASN 40 5.878 15.244 -6.755 310 HD21 ASN 40 HD21 ASN 40 5.544 17.953 -8.842 311 HD22 ASN 40 HD22 ASN 40 7.037 18.756 -8.329 312 H GLU 41 H GLU 41 3.677 13.558 -8.787 313 HA GLU 41 HA GLU 41 3.985 11.518 -6.821 314 HB2 GLU 41 HB2 GLU 41 1.939 12.459 -8.755 315 HB3 GLU 41 HB3 GLU 41 1.851 10.751 -8.409 316 HG2 GLU 41 HG2 GLU 41 0.336 11.904 -6.989 317 HG3 GLU 41 HG3 GLU 41 1.584 11.099 -6.048 318 H TRP 42 H TRP 42 3.798 11.355 -10.414 319 HA TRP 42 HA TRP 42 4.366 8.540 -10.507 320 HB2 TRP 42 HB2 TRP 42 4.854 10.583 -12.686 321 HB3 TRP 42 HB3 TRP 42 4.588 8.852 -12.874 322 HD1 TRP 42 HD1 TRP 42 2.899 11.063 -14.351 323 HE1 TRP 42 HE1 TRP 42 0.372 11.208 -14.092 324 HE3 TRP 42 HE3 TRP 42 2.330 8.569 -9.865 325 HZ2 TRP 42 HZ2 TRP 42 -1.638 10.405 -12.188 326 HZ3 TRP 42 HZ3 TRP 42 0.102 8.313 -8.884 327 HH2 TRP 42 HH2 TRP 42 -1.899 9.189 -10.044 328 H LYS 43 H LYS 43 6.482 11.420 -10.702 329 HA LYS 43 HA LYS 43 8.873 10.085 -11.338 330 HB2 LYS 43 HB2 LYS 43 8.306 12.656 -9.862 331 HB3 LYS 43 HB3 LYS 43 9.954 12.101 -10.164 332 HG2 LYS 43 HG2 LYS 43 9.712 12.201 -12.531 333 HG3 LYS 43 HG3 LYS 43 7.977 12.335 -12.460 334 HD2 LYS 43 HD2 LYS 43 8.615 14.544 -12.915 335 HD3 LYS 43 HD3 LYS 43 8.321 14.567 -11.177 336 HE2 LYS 43 HE2 LYS 43 10.354 15.712 -11.376 337 HE3 LYS 43 HE3 LYS 43 10.872 14.072 -10.938 338 HZ1 LYS 43 HZ1 LYS 43 11.099 13.713 -13.410 339 HZ2 LYS 43 HZ2 LYS 43 12.172 14.800 -12.791 340 HZ3 LYS 43 HZ3 LYS 43 10.832 15.304 -13.618 341 H TYR 44 H TYR 44 7.168 10.440 -8.227 342 HA TYR 44 HA TYR 44 9.257 9.789 -6.490 343 HB2 TYR 44 HB2 TYR 44 6.900 10.473 -5.889 344 HB3 TYR 44 HB3 TYR 44 6.392 8.835 -6.229 345 HD1 TYR 44 HD1 TYR 44 7.680 11.050 -3.737 346 HD2 TYR 44 HD2 TYR 44 7.542 6.887 -4.869 347 HE1 TYR 44 HE1 TYR 44 7.935 10.404 -1.377 348 HE2 TYR 44 HE2 TYR 44 7.798 6.229 -2.523 349 HH TYR 44 HH TYR 44 7.543 8.586 0.084 350 H TYR 45 H TYR 45 7.095 7.611 -8.344 351 HA TYR 45 HA TYR 45 8.592 5.185 -7.611 352 HB2 TYR 45 HB2 TYR 45 5.792 5.761 -8.608 353 HB3 TYR 45 HB3 TYR 45 6.464 4.157 -8.642 354 HD1 TYR 45 HD1 TYR 45 6.651 2.763 -6.745 355 HD2 TYR 45 HD2 TYR 45 5.271 6.830 -6.375 356 HE1 TYR 45 HE1 TYR 45 5.959 2.314 -4.421 357 HE2 TYR 45 HE2 TYR 45 4.646 6.409 -4.027 358 HH TYR 45 HH TYR 45 4.933 4.852 -2.177 359 H ARG 46 H ARG 46 9.241 7.405 -9.895 360 HA ARG 46 HA ARG 46 8.649 6.404 -12.342 361 HB2 ARG 46 HB2 ARG 46 10.296 7.626 -13.293 362 HB3 ARG 46 HB3 ARG 46 10.026 8.497 -11.818 363 HG2 ARG 46 HG2 ARG 46 12.305 6.525 -12.266 364 HG3 ARG 46 HG3 ARG 46 12.387 8.242 -12.609 365 HD2 ARG 46 HD2 ARG 46 12.344 8.912 -10.466 366 HD3 ARG 46 HD3 ARG 46 11.376 7.534 -9.929 367 HE ARG 46 HE ARG 46 13.209 6.830 -8.942 368 HH11 ARG 46 HH11 ARG 46 14.420 7.908 -12.121 369 HH12 ARG 46 HH12 ARG 46 15.723 6.757 -12.068 370 HH21 ARG 46 HH21 ARG 46 15.119 5.774 -8.739 371 HH22 ARG 46 HH22 ARG 46 16.228 5.622 -10.074 372 H GLN 47 H GLN 47 11.336 5.107 -10.313 373 HA GLN 47 HA GLN 47 12.174 3.366 -12.418 374 HB2 GLN 47 HB2 GLN 47 13.529 4.187 -10.410 375 HB3 GLN 47 HB3 GLN 47 12.687 2.983 -9.446 376 HG2 GLN 47 HG2 GLN 47 14.875 2.144 -10.250 377 HG3 GLN 47 HG3 GLN 47 13.550 1.207 -10.943 378 HE21 GLN 47 HE21 GLN 47 14.224 0.611 -13.019 379 HE22 GLN 47 HE22 GLN 47 14.919 1.755 -14.177 380 H ASP 48 H ASP 48 9.901 2.981 -9.658 381 HA ASP 48 HA ASP 48 9.501 0.174 -9.946 382 HB2 ASP 48 HB2 ASP 48 8.674 2.019 -8.153 383 HB3 ASP 48 HB3 ASP 48 7.261 2.044 -9.180 384 H LEU 49 H LEU 49 8.130 3.035 -11.448 385 HA LEU 49 HA LEU 49 6.093 1.739 -13.002 386 HB2 LEU 49 HB2 LEU 49 7.326 4.509 -13.066 387 HB3 LEU 49 HB3 LEU 49 6.500 3.905 -14.471 388 HG LEU 49 HG LEU 49 4.700 3.258 -12.423 389 HD11 LEU 49 HD11 LEU 49 5.800 4.576 -10.785 390 HD12 LEU 49 HD12 LEU 49 4.330 5.419 -11.274 391 HD13 LEU 49 HD13 LEU 49 5.903 5.991 -11.870 392 HD21 LEU 49 HD21 LEU 49 3.326 4.999 -13.415 393 HD22 LEU 49 HD22 LEU 49 4.163 4.020 -14.624 394 HD23 LEU 49 HD23 LEU 49 4.756 5.659 -14.254 395 H ILE 50 H ILE 50 9.252 3.122 -14.012 396 HA ILE 50 HA ILE 50 9.349 2.240 -16.619 397 HB ILE 50 HB ILE 50 11.572 2.465 -14.545 398 HG12 ILE 50 HG12 ILE 50 11.334 4.280 -16.938 399 HG13 ILE 50 HG13 ILE 50 10.192 4.531 -15.641 400 HG21 ILE 50 HG21 ILE 50 13.128 2.522 -16.607 401 HG22 ILE 50 HG22 ILE 50 12.484 0.949 -16.139 402 HG23 ILE 50 HG23 ILE 50 11.762 1.803 -17.505 403 HD11 ILE 50 HD11 ILE 50 13.237 4.424 -15.252 404 HD12 ILE 50 HD12 ILE 50 12.328 5.918 -15.481 405 HD13 ILE 50 HD13 ILE 50 12.052 4.954 -14.044 406 H ASP 51 H ASP 51 10.364 0.324 -13.784 407 HA ASP 51 HA ASP 51 11.314 -1.923 -14.975 408 HB2 ASP 51 HB2 ASP 51 10.846 -1.225 -12.451 409 HB3 ASP 51 HB3 ASP 51 9.313 -2.054 -12.650 410 H PHE 52 H PHE 52 7.930 -1.091 -14.511 411 HA PHE 52 HA PHE 52 6.857 -3.477 -15.832 412 HB2 PHE 52 HB2 PHE 52 5.966 -1.343 -14.004 413 HB3 PHE 52 HB3 PHE 52 4.870 -1.439 -15.344 414 HD1 PHE 52 HD1 PHE 52 6.740 -3.835 -13.093 415 HD2 PHE 52 HD2 PHE 52 3.031 -2.913 -15.113 416 HE1 PHE 52 HE1 PHE 52 5.716 -5.890 -12.181 417 HE2 PHE 52 HE2 PHE 52 2.028 -4.974 -14.184 418 HZ PHE 52 HZ PHE 52 3.380 -6.486 -12.737 419 H LEU 53 H LEU 53 7.242 0.013 -16.476 420 HA LEU 53 HA LEU 53 5.533 0.205 -18.743 421 HB2 LEU 53 HB2 LEU 53 8.061 1.770 -18.246 422 HB3 LEU 53 HB3 LEU 53 6.824 2.199 -19.405 423 HG LEU 53 HG LEU 53 6.870 2.520 -16.460 424 HD11 LEU 53 HD11 LEU 53 5.810 4.582 -16.859 425 HD12 LEU 53 HD12 LEU 53 5.596 4.163 -18.575 426 HD13 LEU 53 HD13 LEU 53 7.217 4.419 -17.904 427 HD21 LEU 53 HD21 LEU 53 4.280 1.996 -17.942 428 HD22 LEU 53 HD22 LEU 53 4.385 2.796 -16.368 429 HD23 LEU 53 HD23 LEU 53 4.928 1.135 -16.515 430 H GLN 54 H GLN 54 8.912 -0.732 -18.493 431 HA GLN 54 HA GLN 54 9.653 -0.859 -21.192 432 HB2 GLN 54 HB2 GLN 54 10.220 -2.767 -18.887 433 HB3 GLN 54 HB3 GLN 54 11.146 -2.748 -20.371 434 HG2 GLN 54 HG2 GLN 54 10.947 -0.109 -18.960 435 HG3 GLN 54 HG3 GLN 54 11.623 -1.346 -18.003 436 HE21 GLN 54 HE21 GLN 54 13.025 0.983 -18.901 437 HE22 GLN 54 HE22 GLN 54 14.318 0.469 -20.001 438 H GLN 55 H GLN 55 8.034 -3.187 -19.116 439 HA GLN 55 HA GLN 55 7.700 -5.322 -21.057 440 HB2 GLN 55 HB2 GLN 55 6.140 -5.050 -18.462 441 HB3 GLN 55 HB3 GLN 55 6.595 -6.515 -19.333 442 HG2 GLN 55 HG2 GLN 55 9.031 -5.947 -18.799 443 HG3 GLN 55 HG3 GLN 55 8.420 -4.646 -17.779 444 HE21 GLN 55 HE21 GLN 55 8.724 -8.124 -18.118 445 HE22 GLN 55 HE22 GLN 55 8.566 -8.415 -16.398 446 H LEU 56 H LEU 56 5.740 -2.578 -20.041 447 HA LEU 56 HA LEU 56 3.220 -3.574 -21.105 448 HB2 LEU 56 HB2 LEU 56 4.250 -1.065 -19.867 449 HB3 LEU 56 HB3 LEU 56 3.018 -0.813 -21.093 450 HG LEU 56 HG LEU 56 1.639 -2.642 -19.845 451 HD11 LEU 56 HD11 LEU 56 3.499 -1.823 -17.573 452 HD12 LEU 56 HD12 LEU 56 3.559 -3.385 -18.399 453 HD13 LEU 56 HD13 LEU 56 2.116 -2.931 -17.484 454 HD21 LEU 56 HD21 LEU 56 2.138 0.065 -18.555 455 HD22 LEU 56 HD22 LEU 56 0.751 -0.993 -18.222 456 HD23 LEU 56 HD23 LEU 56 0.973 -0.321 -19.842 457 H ASP 57 H ASP 57 5.975 -1.790 -22.363 458 HA ASP 57 HA ASP 57 4.580 -1.271 -24.925 459 HB2 ASP 57 HB2 ASP 57 5.852 0.478 -23.676 460 HB3 ASP 57 HB3 ASP 57 7.346 -0.411 -24.016 461 H ALA 58 H ALA 58 6.992 -3.341 -23.515 462 HA ALA 58 HA ALA 58 8.351 -4.951 -24.254 463 HB1 ALA 58 HB1 ALA 58 6.008 -5.440 -26.122 464 HB2 ALA 58 HB2 ALA 58 7.250 -6.629 -25.671 465 HB3 ALA 58 HB3 ALA 58 6.138 -5.988 -24.435 466 H LYS 59 H LYS 59 9.249 -2.597 -25.227 467 HA LYS 59 HA LYS 59 10.479 -3.335 -27.795 468 HB2 LYS 59 HB2 LYS 59 8.342 -1.569 -27.795 469 HB3 LYS 59 HB3 LYS 59 9.669 -0.464 -27.470 470 HG2 LYS 59 HG2 LYS 59 9.526 -0.465 -29.824 471 HG3 LYS 59 HG3 LYS 59 10.871 -1.527 -29.469 472 HD2 LYS 59 HD2 LYS 59 9.803 -2.788 -31.020 473 HD3 LYS 59 HD3 LYS 59 8.989 -3.444 -29.597 474 HE2 LYS 59 HE2 LYS 59 8.011 -1.284 -31.508 475 HE3 LYS 59 HE3 LYS 59 7.425 -2.944 -31.449 476 HZ1 LYS 59 HZ1 LYS 59 6.512 -2.448 -29.257 477 HZ2 LYS 59 HZ2 LYS 59 5.938 -1.400 -30.389 478 HZ3 LYS 59 HZ3 LYS 59 7.077 -0.891 -29.351 479 H GLU 60 H GLU 60 12.586 -2.287 -28.000 480 HA GLU 60 HA GLU 60 13.556 -0.660 -25.742 481 HB2 GLU 60 HB2 GLU 60 14.580 -3.442 -26.439 482 HB3 GLU 60 HB3 GLU 60 15.580 -2.222 -25.639 483 HG2 GLU 60 HG2 GLU 60 13.964 -2.069 -23.778 484 HG3 GLU 60 HG3 GLU 60 12.934 -3.279 -24.561 485 H GLU 61 H GLU 61 14.083 1.056 -27.008 486 HA GLU 61 HA GLU 61 15.458 0.679 -29.586 487 HB2 GLU 61 HB2 GLU 61 13.872 2.837 -28.212 488 HB3 GLU 61 HB3 GLU 61 15.103 3.347 -29.356 489 HG2 GLU 61 HG2 GLU 61 12.892 3.046 -30.447 490 HG3 GLU 61 HG3 GLU 61 14.156 2.030 -31.141 491 H THR 62 H THR 62 17.576 0.614 -29.678 492 HA THR 62 HA THR 62 19.283 2.115 -27.774 493 HB THR 62 HB THR 62 20.804 0.042 -27.950 494 HG1 THR 62 HG1 THR 62 19.829 -1.086 -29.587 495 HG21 THR 62 HG21 THR 62 18.117 -0.256 -26.532 496 HG22 THR 62 HG22 THR 62 19.547 0.595 -25.899 497 HG23 THR 62 HG23 THR 62 19.605 -1.153 -26.178 498 H GLN 63 H GLN 63 21.534 2.175 -28.515 499 HA GLN 63 HA GLN 63 21.766 3.413 -31.101 500 HB2 GLN 63 HB2 GLN 63 24.042 3.837 -30.455 501 HB3 GLN 63 HB3 GLN 63 22.967 4.266 -29.148 502 HG2 GLN 63 HG2 GLN 63 24.615 1.712 -29.200 503 HG3 GLN 63 HG3 GLN 63 25.159 3.224 -28.495 504 HE21 GLN 63 HE21 GLN 63 24.616 3.658 -26.301 505 HE22 GLN 63 HE22 GLN 63 23.442 2.680 -25.437 Start of MODEL 15 1 H1 MET 1 H MET 1 4.284 -0.041 -2.170 2 HA MET 1 HA MET 1 3.220 -2.788 -2.204 3 HB2 MET 1 HB2 MET 1 1.722 -0.392 -1.102 4 HB3 MET 1 HB3 MET 1 1.197 -2.067 -1.158 5 HG2 MET 1 HG2 MET 1 1.785 -1.609 1.063 6 HG3 MET 1 HG3 MET 1 3.069 -2.635 0.431 7 HE1 MET 1 HE1 MET 1 4.684 -0.183 3.143 8 HE2 MET 1 HE2 MET 1 2.969 -0.649 3.142 9 HE3 MET 1 HE3 MET 1 4.219 -1.863 2.792 10 H LYS 2 H LYS 2 2.223 0.638 -3.182 11 HA LYS 2 HA LYS 2 0.542 -0.440 -5.213 12 HB2 LYS 2 HB2 LYS 2 0.391 1.888 -4.061 13 HB3 LYS 2 HB3 LYS 2 1.630 2.385 -5.237 14 HG2 LYS 2 HG2 LYS 2 0.157 1.691 -7.080 15 HG3 LYS 2 HG3 LYS 2 -1.081 1.206 -5.914 16 HD2 LYS 2 HD2 LYS 2 -0.923 3.728 -5.129 17 HD3 LYS 2 HD3 LYS 2 -0.159 4.003 -6.686 18 HE2 LYS 2 HE2 LYS 2 -2.100 3.085 -7.872 19 HE3 LYS 2 HE3 LYS 2 -2.795 2.518 -6.345 20 HZ1 LYS 2 HZ1 LYS 2 -2.905 4.944 -5.742 21 HZ2 LYS 2 HZ2 LYS 2 -3.958 4.421 -6.909 22 HZ3 LYS 2 HZ3 LYS 2 -2.640 5.308 -7.287 23 H ASN 3 H ASN 3 1.301 -1.697 -6.676 24 HA ASN 3 HA ASN 3 3.844 -1.415 -7.975 25 HB2 ASN 3 HB2 ASN 3 2.747 -2.945 -9.678 26 HB3 ASN 3 HB3 ASN 3 2.976 -3.598 -8.069 27 HD21 ASN 3 HD21 ASN 3 0.748 -3.654 -10.611 28 HD22 ASN 3 HD22 ASN 3 -0.685 -3.776 -9.657 29 H ALA 4 H ALA 4 4.084 -1.011 -10.228 30 HA ALA 4 HA ALA 4 3.462 1.474 -11.082 31 HB1 ALA 4 HB1 ALA 4 3.956 -0.985 -12.778 32 HB2 ALA 4 HB2 ALA 4 4.164 0.681 -13.321 33 HB3 ALA 4 HB3 ALA 4 5.214 0.028 -12.027 34 H ALA 5 H ALA 5 1.821 -1.477 -12.060 35 HA ALA 5 HA ALA 5 0.070 -0.394 -13.894 36 HB1 ALA 5 HB1 ALA 5 -1.279 -2.404 -13.613 37 HB2 ALA 5 HB2 ALA 5 0.445 -2.827 -13.483 38 HB3 ALA 5 HB3 ALA 5 -0.559 -2.687 -12.022 39 H GLN 6 H GLN 6 -0.411 -0.634 -10.347 40 HA GLN 6 HA GLN 6 -3.089 0.435 -10.396 41 HB2 GLN 6 HB2 GLN 6 -0.938 0.259 -8.251 42 HB3 GLN 6 HB3 GLN 6 -2.495 1.038 -7.978 43 HG2 GLN 6 HG2 GLN 6 -3.645 -1.071 -8.457 44 HG3 GLN 6 HG3 GLN 6 -2.074 -1.878 -8.616 45 HE21 GLN 6 HE21 GLN 6 -0.738 -2.078 -6.648 46 HE22 GLN 6 HE22 GLN 6 -1.494 -1.981 -5.077 47 H ILE 7 H ILE 7 0.171 1.894 -10.381 48 HA ILE 7 HA ILE 7 -0.785 4.567 -9.808 49 HB ILE 7 HB ILE 7 1.844 3.934 -11.212 50 HG12 ILE 7 HG12 ILE 7 1.072 3.264 -8.405 51 HG13 ILE 7 HG13 ILE 7 2.170 2.468 -9.516 52 HG21 ILE 7 HG21 ILE 7 1.008 6.289 -10.964 53 HG22 ILE 7 HG22 ILE 7 0.991 6.055 -9.200 54 HG23 ILE 7 HG23 ILE 7 2.525 6.011 -10.122 55 HD11 ILE 7 HD11 ILE 7 3.332 3.428 -7.572 56 HD12 ILE 7 HD12 ILE 7 3.868 4.191 -9.093 57 HD13 ILE 7 HD13 ILE 7 2.761 5.035 -7.973 58 H VAL 8 H VAL 8 0.198 2.867 -12.835 59 HA VAL 8 HA VAL 8 -0.331 5.069 -14.547 60 HB VAL 8 HB VAL 8 -0.388 2.103 -15.189 61 HG11 VAL 8 HG11 VAL 8 0.053 2.755 -17.539 62 HG12 VAL 8 HG12 VAL 8 -1.530 3.265 -16.969 63 HG13 VAL 8 HG13 VAL 8 -0.221 4.460 -17.096 64 HG21 VAL 8 HG21 VAL 8 1.834 4.116 -15.240 65 HG22 VAL 8 HG22 VAL 8 1.771 2.559 -14.413 66 HG23 VAL 8 HG23 VAL 8 1.898 2.587 -16.162 67 H ASP 9 H ASP 9 -2.499 2.511 -13.312 68 HA ASP 9 HA ASP 9 -4.773 3.168 -14.895 69 HB2 ASP 9 HB2 ASP 9 -4.305 1.895 -12.183 70 HB3 ASP 9 HB3 ASP 9 -5.924 2.377 -12.612 71 H GLU 10 H GLU 10 -3.640 4.370 -11.755 72 HA GLU 10 HA GLU 10 -5.767 6.138 -11.275 73 HB2 GLU 10 HB2 GLU 10 -3.466 5.543 -9.868 74 HB3 GLU 10 HB3 GLU 10 -3.010 7.113 -10.479 75 HG2 GLU 10 HG2 GLU 10 -5.229 8.029 -9.640 76 HG3 GLU 10 HG3 GLU 10 -5.488 6.492 -8.817 77 H ALA 11 H ALA 11 -2.688 6.656 -12.969 78 HA ALA 11 HA ALA 11 -3.099 9.425 -13.554 79 HB1 ALA 11 HB1 ALA 11 -1.337 7.656 -15.244 80 HB2 ALA 11 HB2 ALA 11 -1.027 9.307 -14.654 81 HB3 ALA 11 HB3 ALA 11 -0.945 7.944 -13.528 82 H LEU 12 H LEU 12 -3.871 6.449 -15.359 83 HA LEU 12 HA LEU 12 -4.658 7.533 -17.820 84 HB2 LEU 12 HB2 LEU 12 -4.438 5.139 -17.439 85 HB3 LEU 12 HB3 LEU 12 -5.736 5.157 -16.262 86 HG LEU 12 HG LEU 12 -7.377 5.704 -17.877 87 HD11 LEU 12 HD11 LEU 12 -6.680 5.624 -20.390 88 HD12 LEU 12 HD12 LEU 12 -5.036 5.926 -19.817 89 HD13 LEU 12 HD13 LEU 12 -6.342 7.105 -19.515 90 HD21 LEU 12 HD21 LEU 12 -5.570 3.455 -18.888 91 HD22 LEU 12 HD22 LEU 12 -7.315 3.611 -19.199 92 HD23 LEU 12 HD23 LEU 12 -6.720 3.323 -17.553 93 H ASN 13 H ASN 13 -6.471 7.065 -14.897 94 HA ASN 13 HA ASN 13 -9.007 8.040 -15.636 95 HB2 ASN 13 HB2 ASN 13 -7.759 7.071 -13.323 96 HB3 ASN 13 HB3 ASN 13 -8.209 8.721 -12.876 97 HD21 ASN 13 HD21 ASN 13 -9.293 5.477 -13.427 98 HD22 ASN 13 HD22 ASN 13 -10.970 5.729 -13.210 99 H GLN 14 H GLN 14 -6.059 9.798 -14.967 100 HA GLN 14 HA GLN 14 -7.434 12.412 -14.708 101 HB2 GLN 14 HB2 GLN 14 -4.440 11.894 -14.564 102 HB3 GLN 14 HB3 GLN 14 -5.346 13.309 -14.072 103 HG2 GLN 14 HG2 GLN 14 -6.503 11.387 -12.516 104 HG3 GLN 14 HG3 GLN 14 -4.900 10.690 -12.732 105 HE21 GLN 14 HE21 GLN 14 -4.147 10.983 -10.596 106 HE22 GLN 14 HE22 GLN 14 -3.800 12.578 -9.967 107 H GLY 15 H GLY 15 -6.803 10.475 -17.205 108 HA2 GLY 15 HA2 GLY 15 -6.673 10.869 -19.428 109 HA3 GLY 15 HA3 GLY 15 -6.616 12.608 -19.134 110 H ILE 16 H ILE 16 -4.198 10.191 -17.873 111 HA ILE 16 HA ILE 16 -2.223 11.143 -19.846 112 HB ILE 16 HB ILE 16 -1.973 12.715 -18.118 113 HG12 ILE 16 HG12 ILE 16 0.079 11.495 -19.028 114 HG13 ILE 16 HG13 ILE 16 0.222 12.674 -17.738 115 HG21 ILE 16 HG21 ILE 16 -1.965 10.516 -16.081 116 HG22 ILE 16 HG22 ILE 16 -1.567 12.211 -15.736 117 HG23 ILE 16 HG23 ILE 16 -3.197 11.725 -16.256 118 HD11 ILE 16 HD11 ILE 16 0.052 9.702 -17.181 119 HD12 ILE 16 HD12 ILE 16 1.547 10.569 -17.525 120 HD13 ILE 16 HD13 ILE 16 0.594 11.012 -16.105 121 H THR 17 H THR 17 -0.603 9.572 -20.226 122 HA THR 17 HA THR 17 -0.868 6.954 -18.830 123 HB THR 17 HB THR 17 -0.546 7.671 -21.783 124 HG1 THR 17 HG1 THR 17 -2.462 6.197 -20.322 125 HG21 THR 17 HG21 THR 17 0.833 5.696 -21.444 126 HG22 THR 17 HG22 THR 17 -0.661 5.253 -22.281 127 HG23 THR 17 HG23 THR 17 -0.460 4.884 -20.551 128 H LEU 18 H LEU 18 1.100 5.703 -18.824 129 HA LEU 18 HA LEU 18 3.521 7.441 -18.729 130 HB2 LEU 18 HB2 LEU 18 2.870 5.046 -16.884 131 HB3 LEU 18 HB3 LEU 18 4.369 5.952 -16.999 132 HG LEU 18 HG LEU 18 3.254 6.721 -15.106 133 HD11 LEU 18 HD11 LEU 18 2.781 8.835 -17.195 134 HD12 LEU 18 HD12 LEU 18 4.386 8.468 -16.494 135 HD13 LEU 18 HD13 LEU 18 3.053 9.086 -15.484 136 HD21 LEU 18 HD21 LEU 18 0.916 6.067 -15.874 137 HD22 LEU 18 HD22 LEU 18 0.818 7.653 -16.615 138 HD23 LEU 18 HD23 LEU 18 1.104 7.513 -14.870 139 H PHE 19 H PHE 19 5.257 6.876 -19.871 140 HA PHE 19 HA PHE 19 5.417 4.144 -21.073 141 HB2 PHE 19 HB2 PHE 19 5.609 6.801 -22.534 142 HB3 PHE 19 HB3 PHE 19 6.159 5.277 -23.212 143 HD1 PHE 19 HD1 PHE 19 3.403 7.486 -23.086 144 HD2 PHE 19 HD2 PHE 19 4.458 3.306 -23.328 145 HE1 PHE 19 HE1 PHE 19 1.199 6.981 -24.121 146 HE2 PHE 19 HE2 PHE 19 2.251 2.818 -24.344 147 HZ PHE 19 HZ PHE 19 0.616 4.652 -24.728 148 H VAL 20 H VAL 20 7.567 3.768 -22.119 149 HA VAL 20 HA VAL 20 9.788 5.177 -20.750 150 HB VAL 20 HB VAL 20 9.147 2.239 -20.864 151 HG11 VAL 20 HG11 VAL 20 12.047 3.196 -21.056 152 HG12 VAL 20 HG12 VAL 20 11.486 1.548 -20.675 153 HG13 VAL 20 HG13 VAL 20 11.199 2.212 -22.265 154 HG21 VAL 20 HG21 VAL 20 10.942 3.837 -19.034 155 HG22 VAL 20 HG22 VAL 20 9.182 3.798 -18.846 156 HG23 VAL 20 HG23 VAL 20 10.110 2.293 -18.725 157 H ALA 21 H ALA 21 11.430 5.840 -21.898 158 HA ALA 21 HA ALA 21 12.171 4.908 -24.549 159 HB1 ALA 21 HB1 ALA 21 11.321 7.816 -24.075 160 HB2 ALA 21 HB2 ALA 21 11.997 7.125 -25.557 161 HB3 ALA 21 HB3 ALA 21 10.373 6.660 -25.025 162 H ASP 22 H ASP 22 14.391 5.543 -24.856 163 HA ASP 22 HA ASP 22 16.490 6.046 -24.175 164 HB2 ASP 22 HB2 ASP 22 15.045 8.297 -24.166 165 HB3 ASP 22 HB3 ASP 22 15.380 8.284 -22.464 166 H ASN 23 H ASN 23 14.904 4.233 -22.407 167 HA ASN 23 HA ASN 23 15.044 3.113 -20.482 168 HB2 ASN 23 HB2 ASN 23 17.493 3.053 -21.118 169 HB3 ASN 23 HB3 ASN 23 17.769 4.410 -20.020 170 HD21 ASN 23 HD21 ASN 23 16.167 1.209 -20.080 171 HD22 ASN 23 HD22 ASN 23 16.675 0.693 -18.485 172 H ARG 24 H ARG 24 13.946 5.954 -20.516 173 HA ARG 24 HA ARG 24 13.980 6.343 -17.570 174 HB2 ARG 24 HB2 ARG 24 14.417 8.551 -17.746 175 HB3 ARG 24 HB3 ARG 24 15.355 7.937 -19.120 176 HG2 ARG 24 HG2 ARG 24 13.584 8.610 -20.657 177 HG3 ARG 24 HG3 ARG 24 12.670 9.327 -19.312 178 HD2 ARG 24 HD2 ARG 24 15.418 10.106 -20.313 179 HD3 ARG 24 HD3 ARG 24 13.916 10.997 -20.563 180 HE ARG 24 HE ARG 24 14.736 10.473 -17.766 181 HH11 ARG 24 HH11 ARG 24 15.015 12.837 -20.338 182 HH12 ARG 24 HH12 ARG 24 14.755 14.227 -19.355 183 HH21 ARG 24 HH21 ARG 24 14.522 12.248 -16.365 184 HH22 ARG 24 HH22 ARG 24 14.485 13.858 -16.998 185 H LEU 25 H LEU 25 12.226 7.738 -16.791 186 HA LEU 25 HA LEU 25 9.671 6.642 -17.617 187 HB2 LEU 25 HB2 LEU 25 10.431 6.954 -15.226 188 HB3 LEU 25 HB3 LEU 25 10.413 8.681 -15.459 189 HG LEU 25 HG LEU 25 8.486 7.639 -14.211 190 HD11 LEU 25 HD11 LEU 25 8.386 9.947 -15.142 191 HD12 LEU 25 HD12 LEU 25 6.824 9.141 -14.929 192 HD13 LEU 25 HD13 LEU 25 7.511 9.290 -16.546 193 HD21 LEU 25 HD21 LEU 25 6.645 6.625 -15.372 194 HD22 LEU 25 HD22 LEU 25 8.115 5.696 -15.696 195 HD23 LEU 25 HD23 LEU 25 7.453 6.783 -16.937 196 H GLN 26 H GLN 26 8.268 7.623 -18.985 197 HA GLN 26 HA GLN 26 8.240 10.541 -19.298 198 HB2 GLN 26 HB2 GLN 26 8.527 8.439 -21.490 199 HB3 GLN 26 HB3 GLN 26 7.556 9.864 -21.768 200 HG2 GLN 26 HG2 GLN 26 9.376 10.974 -22.361 201 HG3 GLN 26 HG3 GLN 26 9.810 11.013 -20.652 202 HE21 GLN 26 HE21 GLN 26 10.380 7.853 -21.035 203 HE22 GLN 26 HE22 GLN 26 12.012 8.052 -21.626 204 H TYR 27 H TYR 27 6.115 11.128 -20.411 205 HA TYR 27 HA TYR 27 3.877 9.419 -19.636 206 HB2 TYR 27 HB2 TYR 27 2.936 11.815 -18.805 207 HB3 TYR 27 HB3 TYR 27 3.687 10.692 -17.691 208 HD1 TYR 27 HD1 TYR 27 5.867 11.180 -16.710 209 HD2 TYR 27 HD2 TYR 27 4.232 13.758 -19.759 210 HE1 TYR 27 HE1 TYR 27 7.804 12.696 -16.461 211 HE2 TYR 27 HE2 TYR 27 6.136 15.296 -19.489 212 HH TYR 27 HH TYR 27 8.470 15.148 -18.795 213 H GLU 28 H GLU 28 1.999 10.030 -20.803 214 HA GLU 28 HA GLU 28 2.344 12.025 -22.984 215 HB2 GLU 28 HB2 GLU 28 2.830 9.832 -23.958 216 HB3 GLU 28 HB3 GLU 28 1.311 9.171 -23.307 217 HG2 GLU 28 HG2 GLU 28 -0.007 10.664 -24.684 218 HG3 GLU 28 HG3 GLU 28 1.407 11.619 -25.096 219 H THR 29 H THR 29 0.621 13.390 -23.008 220 HA THR 29 HA THR 29 -2.004 12.468 -22.148 221 HB THR 29 HB THR 29 -0.921 13.153 -20.050 222 HG1 THR 29 HG1 THR 29 -3.130 13.594 -20.278 223 HG21 THR 29 HG21 THR 29 -0.677 15.955 -21.197 224 HG22 THR 29 HG22 THR 29 0.691 14.856 -20.885 225 HG23 THR 29 HG23 THR 29 -0.317 15.438 -19.547 226 H SER 30 H SER 30 -3.540 13.437 -23.386 227 HA SER 30 HA SER 30 -2.634 15.463 -25.306 228 HB2 SER 30 HB2 SER 30 -5.369 14.173 -24.973 229 HB3 SER 30 HB3 SER 30 -4.755 15.029 -26.397 230 HG SER 30 HG SER 30 -3.382 13.337 -26.834 231 H ARG 31 H ARG 31 -3.182 15.903 -22.237 232 HA ARG 31 HA ARG 31 -5.394 17.750 -22.037 233 HB2 ARG 31 HB2 ARG 31 -2.984 17.130 -20.278 234 HB3 ARG 31 HB3 ARG 31 -4.226 18.298 -19.826 235 HG2 ARG 31 HG2 ARG 31 -5.972 16.551 -19.982 236 HG3 ARG 31 HG3 ARG 31 -4.782 15.373 -20.435 237 HD2 ARG 31 HD2 ARG 31 -4.827 14.918 -18.241 238 HD3 ARG 31 HD3 ARG 31 -3.559 16.126 -18.175 239 HE ARG 31 HE ARG 31 -6.375 17.004 -17.807 240 HH11 ARG 31 HH11 ARG 31 -3.483 16.000 -16.031 241 HH12 ARG 31 HH12 ARG 31 -4.087 16.611 -14.539 242 HH21 ARG 31 HH21 ARG 31 -7.172 17.492 -15.634 243 HH22 ARG 31 HH22 ARG 31 -6.046 17.430 -14.340 244 H ASP 32 H ASP 32 -4.925 19.955 -21.136 245 HA ASP 32 HA ASP 32 -3.732 21.595 -23.149 246 HB2 ASP 32 HB2 ASP 32 -4.580 22.148 -20.275 247 HB3 ASP 32 HB3 ASP 32 -4.057 23.401 -21.405 248 H ASN 33 H ASN 33 -2.662 20.450 -19.947 249 HA ASN 33 HA ASN 33 0.123 20.473 -20.469 250 HB2 ASN 33 HB2 ASN 33 -0.459 22.977 -19.966 251 HB3 ASN 33 HB3 ASN 33 -0.798 22.431 -18.323 252 HD21 ASN 33 HD21 ASN 33 1.033 24.346 -18.517 253 HD22 ASN 33 HD22 ASN 33 2.648 23.759 -18.335 254 H ILE 34 H ILE 34 1.120 19.898 -18.083 255 HA ILE 34 HA ILE 34 -0.842 18.151 -16.695 256 HB ILE 34 HB ILE 34 0.857 16.977 -18.042 257 HG12 ILE 34 HG12 ILE 34 1.879 15.576 -16.119 258 HG13 ILE 34 HG13 ILE 34 0.954 16.593 -15.028 259 HG21 ILE 34 HG21 ILE 34 2.914 18.136 -16.143 260 HG22 ILE 34 HG22 ILE 34 3.196 16.956 -17.440 261 HG23 ILE 34 HG23 ILE 34 2.707 18.610 -17.843 262 HD11 ILE 34 HD11 ILE 34 -1.131 15.914 -16.344 263 HD12 ILE 34 HD12 ILE 34 -0.103 14.842 -17.295 264 HD13 ILE 34 HD13 ILE 34 -0.303 14.548 -15.554 265 HA PRO 35 HA PRO 35 0.091 20.761 -13.191 266 HB2 PRO 35 HB2 PRO 35 -0.801 19.031 -11.178 267 HB3 PRO 35 HB3 PRO 35 -1.876 20.112 -12.132 268 HG2 PRO 35 HG2 PRO 35 -1.222 17.224 -12.347 269 HG3 PRO 35 HG3 PRO 35 -2.811 17.987 -12.626 270 HD2 PRO 35 HD2 PRO 35 -1.116 17.138 -14.594 271 HD3 PRO 35 HD3 PRO 35 -2.191 18.537 -14.837 272 H GLU 36 H GLU 36 1.618 20.835 -11.431 273 HA GLU 36 HA GLU 36 3.926 19.215 -11.837 274 HB2 GLU 36 HB2 GLU 36 4.702 20.276 -9.687 275 HB3 GLU 36 HB3 GLU 36 4.236 21.393 -10.998 276 HG2 GLU 36 HG2 GLU 36 2.183 21.995 -9.898 277 HG3 GLU 36 HG3 GLU 36 2.333 20.690 -8.723 278 H GLU 37 H GLU 37 1.289 18.947 -9.540 279 HA GLU 37 HA GLU 37 2.468 17.146 -7.680 280 HB2 GLU 37 HB2 GLU 37 -0.008 16.411 -7.399 281 HB3 GLU 37 HB3 GLU 37 0.457 18.050 -6.936 282 HG2 GLU 37 HG2 GLU 37 -0.506 19.028 -8.863 283 HG3 GLU 37 HG3 GLU 37 -0.613 17.483 -9.702 284 H LEU 38 H LEU 38 0.761 16.560 -10.768 285 HA LEU 38 HA LEU 38 0.773 13.719 -10.662 286 HB2 LEU 38 HB2 LEU 38 0.501 15.826 -12.811 287 HB3 LEU 38 HB3 LEU 38 0.760 14.186 -13.313 288 HG LEU 38 HG LEU 38 -1.643 15.108 -13.152 289 HD11 LEU 38 HD11 LEU 38 -1.031 12.458 -11.887 290 HD12 LEU 38 HD12 LEU 38 -0.980 12.776 -13.643 291 HD13 LEU 38 HD13 LEU 38 -2.508 12.896 -12.771 292 HD21 LEU 38 HD21 LEU 38 -2.852 14.752 -11.080 293 HD22 LEU 38 HD22 LEU 38 -1.549 15.863 -10.726 294 HD23 LEU 38 HD23 LEU 38 -1.401 14.171 -10.247 295 H LEU 39 H LEU 39 2.989 16.103 -12.136 296 HA LEU 39 HA LEU 39 4.754 14.154 -13.249 297 HB2 LEU 39 HB2 LEU 39 5.277 17.004 -12.260 298 HB3 LEU 39 HB3 LEU 39 6.511 16.039 -13.050 299 HG LEU 39 HG LEU 39 3.865 16.776 -14.360 300 HD11 LEU 39 HD11 LEU 39 5.157 18.469 -15.593 301 HD12 LEU 39 HD12 LEU 39 6.625 18.046 -14.694 302 HD13 LEU 39 HD13 LEU 39 5.233 18.787 -13.864 303 HD21 LEU 39 HD21 LEU 39 4.940 14.768 -15.351 304 HD22 LEU 39 HD22 LEU 39 6.485 15.630 -15.464 305 HD23 LEU 39 HD23 LEU 39 5.103 16.138 -16.450 306 H ASN 40 H ASN 40 4.822 15.874 -10.156 307 HA ASN 40 HA ASN 40 7.164 14.618 -9.168 308 HB2 ASN 40 HB2 ASN 40 4.865 16.124 -7.889 309 HB3 ASN 40 HB3 ASN 40 6.110 15.359 -6.894 310 HD21 ASN 40 HD21 ASN 40 5.378 18.092 -8.866 311 HD22 ASN 40 HD22 ASN 40 6.915 18.928 -8.641 312 H GLU 41 H GLU 41 3.771 13.558 -8.962 313 HA GLU 41 HA GLU 41 4.176 11.451 -7.100 314 HB2 GLU 41 HB2 GLU 41 2.129 12.246 -9.111 315 HB3 GLU 41 HB3 GLU 41 2.112 10.575 -8.580 316 HG2 GLU 41 HG2 GLU 41 2.142 11.513 -6.171 317 HG3 GLU 41 HG3 GLU 41 1.542 13.006 -6.919 318 H TRP 42 H TRP 42 3.909 11.327 -10.687 319 HA TRP 42 HA TRP 42 4.591 8.557 -10.835 320 HB2 TRP 42 HB2 TRP 42 4.870 10.611 -13.029 321 HB3 TRP 42 HB3 TRP 42 4.610 8.878 -13.203 322 HD1 TRP 42 HD1 TRP 42 2.807 11.137 -14.494 323 HE1 TRP 42 HE1 TRP 42 0.300 11.211 -14.085 324 HE3 TRP 42 HE3 TRP 42 2.559 8.520 -10.050 325 HZ2 TRP 42 HZ2 TRP 42 -1.574 10.336 -12.107 326 HZ3 TRP 42 HZ3 TRP 42 0.401 8.312 -8.887 327 HH2 TRP 42 HH2 TRP 42 -1.668 9.181 -9.891 328 H LYS 43 H LYS 43 6.604 11.480 -10.920 329 HA LYS 43 HA LYS 43 8.981 10.042 -11.761 330 HB2 LYS 43 HB2 LYS 43 8.530 12.731 -10.443 331 HB3 LYS 43 HB3 LYS 43 10.149 12.141 -10.873 332 HG2 LYS 43 HG2 LYS 43 9.538 11.911 -13.228 333 HG3 LYS 43 HG3 LYS 43 7.861 12.239 -12.898 334 HD2 LYS 43 HD2 LYS 43 8.531 14.282 -13.694 335 HD3 LYS 43 HD3 LYS 43 8.580 14.504 -11.945 336 HE2 LYS 43 HE2 LYS 43 10.531 15.501 -13.189 337 HE3 LYS 43 HE3 LYS 43 10.990 14.366 -11.909 338 HZ1 LYS 43 HZ1 LYS 43 11.469 12.724 -13.473 339 HZ2 LYS 43 HZ2 LYS 43 12.199 14.027 -14.066 340 HZ3 LYS 43 HZ3 LYS 43 10.784 13.494 -14.740 341 H TYR 44 H TYR 44 7.375 10.534 -8.700 342 HA TYR 44 HA TYR 44 9.509 9.966 -6.926 343 HB2 TYR 44 HB2 TYR 44 7.127 10.669 -6.317 344 HB3 TYR 44 HB3 TYR 44 6.646 9.003 -6.536 345 HD1 TYR 44 HD1 TYR 44 7.689 11.384 -4.176 346 HD2 TYR 44 HD2 TYR 44 7.959 7.173 -5.119 347 HE1 TYR 44 HE1 TYR 44 8.120 10.886 -1.819 348 HE2 TYR 44 HE2 TYR 44 8.408 6.664 -2.772 349 HH TYR 44 HH TYR 44 8.149 7.614 -0.598 350 H TYR 45 H TYR 45 7.095 7.646 -8.272 351 HA TYR 45 HA TYR 45 8.708 5.303 -7.646 352 HB2 TYR 45 HB2 TYR 45 5.869 5.793 -8.717 353 HB3 TYR 45 HB3 TYR 45 6.545 4.209 -8.430 354 HD1 TYR 45 HD1 TYR 45 7.228 3.435 -6.194 355 HD2 TYR 45 HD2 TYR 45 5.017 7.097 -6.742 356 HE1 TYR 45 HE1 TYR 45 6.759 3.521 -3.763 357 HE2 TYR 45 HE2 TYR 45 4.527 7.163 -4.319 358 HH TYR 45 HH TYR 45 4.599 5.820 -2.240 359 H ARG 46 H ARG 46 9.625 7.274 -9.809 360 HA ARG 46 HA ARG 46 8.879 6.390 -12.304 361 HB2 ARG 46 HB2 ARG 46 10.571 7.529 -13.247 362 HB3 ARG 46 HB3 ARG 46 10.402 8.388 -11.770 363 HG2 ARG 46 HG2 ARG 46 12.522 6.255 -12.330 364 HG3 ARG 46 HG3 ARG 46 12.736 7.968 -12.605 365 HD2 ARG 46 HD2 ARG 46 12.845 8.535 -10.456 366 HD3 ARG 46 HD3 ARG 46 11.710 7.295 -9.921 367 HE ARG 46 HE ARG 46 14.327 6.265 -10.758 368 HH11 ARG 46 HH11 ARG 46 12.151 7.155 -7.999 369 HH12 ARG 46 HH12 ARG 46 13.072 6.249 -6.869 370 HH21 ARG 46 HH21 ARG 46 15.431 4.962 -9.164 371 HH22 ARG 46 HH22 ARG 46 14.649 4.770 -7.619 372 H GLN 47 H GLN 47 11.504 4.820 -10.319 373 HA GLN 47 HA GLN 47 12.115 3.072 -12.533 374 HB2 GLN 47 HB2 GLN 47 13.504 3.745 -10.329 375 HB3 GLN 47 HB3 GLN 47 12.815 2.231 -9.748 376 HG2 GLN 47 HG2 GLN 47 14.470 2.649 -12.282 377 HG3 GLN 47 HG3 GLN 47 15.060 1.968 -10.769 378 HE21 GLN 47 HE21 GLN 47 14.229 1.066 -13.841 379 HE22 GLN 47 HE22 GLN 47 13.584 -0.505 -13.557 380 H ASP 48 H ASP 48 9.818 3.012 -9.770 381 HA ASP 48 HA ASP 48 9.263 0.197 -9.961 382 HB2 ASP 48 HB2 ASP 48 8.528 2.281 -8.276 383 HB3 ASP 48 HB3 ASP 48 7.077 2.107 -9.240 384 H LEU 49 H LEU 49 7.860 3.073 -11.366 385 HA LEU 49 HA LEU 49 5.886 1.922 -13.019 386 HB2 LEU 49 HB2 LEU 49 7.408 4.518 -12.948 387 HB3 LEU 49 HB3 LEU 49 6.561 4.124 -14.428 388 HG LEU 49 HG LEU 49 4.972 3.809 -11.911 389 HD11 LEU 49 HD11 LEU 49 6.117 5.931 -11.482 390 HD12 LEU 49 HD12 LEU 49 4.410 6.202 -11.858 391 HD13 LEU 49 HD13 LEU 49 5.649 6.527 -13.093 392 HD21 LEU 49 HD21 LEU 49 3.991 3.232 -13.985 393 HD22 LEU 49 HD22 LEU 49 4.347 4.838 -14.652 394 HD23 LEU 49 HD23 LEU 49 3.202 4.660 -13.294 395 H ILE 50 H ILE 50 9.086 3.196 -14.045 396 HA ILE 50 HA ILE 50 9.194 2.306 -16.586 397 HB ILE 50 HB ILE 50 11.399 2.411 -14.497 398 HG12 ILE 50 HG12 ILE 50 11.294 4.178 -16.944 399 HG13 ILE 50 HG13 ILE 50 10.189 4.516 -15.641 400 HG21 ILE 50 HG21 ILE 50 12.336 0.829 -15.981 401 HG22 ILE 50 HG22 ILE 50 11.685 1.629 -17.407 402 HG23 ILE 50 HG23 ILE 50 13.037 2.355 -16.513 403 HD11 ILE 50 HD11 ILE 50 12.348 5.800 -15.410 404 HD12 ILE 50 HD12 ILE 50 12.201 4.674 -14.067 405 HD13 ILE 50 HD13 ILE 50 13.250 4.281 -15.418 406 H ASP 51 H ASP 51 10.174 0.232 -13.782 407 HA ASP 51 HA ASP 51 11.084 -1.942 -15.221 408 HB2 ASP 51 HB2 ASP 51 10.894 -1.379 -12.648 409 HB3 ASP 51 HB3 ASP 51 9.421 -2.341 -12.716 410 H PHE 52 H PHE 52 7.718 -1.066 -14.566 411 HA PHE 52 HA PHE 52 6.694 -3.538 -15.899 412 HB2 PHE 52 HB2 PHE 52 5.456 -1.150 -14.514 413 HB3 PHE 52 HB3 PHE 52 4.494 -2.183 -15.539 414 HD1 PHE 52 HD1 PHE 52 6.511 -2.177 -12.387 415 HD2 PHE 52 HD2 PHE 52 3.743 -4.321 -14.896 416 HE1 PHE 52 HE1 PHE 52 5.983 -3.715 -10.504 417 HE2 PHE 52 HE2 PHE 52 3.253 -5.878 -13.033 418 HZ PHE 52 HZ PHE 52 4.329 -5.552 -10.834 419 H LEU 53 H LEU 53 7.089 -0.039 -16.481 420 HA LEU 53 HA LEU 53 5.453 0.183 -18.807 421 HB2 LEU 53 HB2 LEU 53 8.016 1.694 -18.239 422 HB3 LEU 53 HB3 LEU 53 6.821 2.173 -19.408 423 HG LEU 53 HG LEU 53 6.747 2.369 -16.455 424 HD11 LEU 53 HD11 LEU 53 5.986 4.562 -16.812 425 HD12 LEU 53 HD12 LEU 53 5.890 4.246 -18.557 426 HD13 LEU 53 HD13 LEU 53 7.459 4.264 -17.725 427 HD21 LEU 53 HD21 LEU 53 4.349 2.884 -16.439 428 HD22 LEU 53 HD22 LEU 53 4.688 1.195 -16.767 429 HD23 LEU 53 HD23 LEU 53 4.230 2.277 -18.113 430 H GLN 54 H GLN 54 8.833 -0.841 -18.488 431 HA GLN 54 HA GLN 54 9.439 -0.869 -21.282 432 HB2 GLN 54 HB2 GLN 54 10.503 -2.940 -19.338 433 HB3 GLN 54 HB3 GLN 54 11.266 -2.272 -20.781 434 HG2 GLN 54 HG2 GLN 54 10.962 -0.060 -19.129 435 HG3 GLN 54 HG3 GLN 54 11.257 -1.372 -17.975 436 HE21 GLN 54 HE21 GLN 54 12.901 0.995 -19.171 437 HE22 GLN 54 HE22 GLN 54 14.401 0.227 -19.669 438 H GLN 55 H GLN 55 7.839 -3.214 -19.172 439 HA GLN 55 HA GLN 55 7.726 -5.349 -21.151 440 HB2 GLN 55 HB2 GLN 55 5.984 -5.075 -18.664 441 HB3 GLN 55 HB3 GLN 55 6.401 -6.539 -19.546 442 HG2 GLN 55 HG2 GLN 55 8.254 -4.815 -17.873 443 HG3 GLN 55 HG3 GLN 55 7.631 -6.420 -17.467 444 HE21 GLN 55 HE21 GLN 55 10.533 -5.253 -17.991 445 HE22 GLN 55 HE22 GLN 55 11.156 -6.411 -19.145 446 H LEU 56 H LEU 56 5.504 -2.814 -19.948 447 HA LEU 56 HA LEU 56 3.139 -3.647 -21.209 448 HB2 LEU 56 HB2 LEU 56 4.166 -1.080 -20.090 449 HB3 LEU 56 HB3 LEU 56 2.998 -0.887 -21.380 450 HG LEU 56 HG LEU 56 1.501 -2.546 -20.165 451 HD11 LEU 56 HD11 LEU 56 3.323 -1.897 -17.811 452 HD12 LEU 56 HD12 LEU 56 3.199 -3.479 -18.600 453 HD13 LEU 56 HD13 LEU 56 1.801 -2.817 -17.750 454 HD21 LEU 56 HD21 LEU 56 0.566 -0.830 -18.713 455 HD22 LEU 56 HD22 LEU 56 1.079 -0.139 -20.244 456 HD23 LEU 56 HD23 LEU 56 2.088 0.113 -18.812 457 H ASP 57 H ASP 57 5.790 -1.664 -22.548 458 HA ASP 57 HA ASP 57 4.434 -1.670 -25.198 459 HB2 ASP 57 HB2 ASP 57 5.593 0.349 -24.022 460 HB3 ASP 57 HB3 ASP 57 7.092 -0.392 -24.577 461 H ALA 58 H ALA 58 6.929 -3.374 -23.474 462 HA ALA 58 HA ALA 58 8.484 -4.835 -23.948 463 HB1 ALA 58 HB1 ALA 58 7.835 -6.645 -25.468 464 HB2 ALA 58 HB2 ALA 58 6.441 -6.080 -24.515 465 HB3 ALA 58 HB3 ALA 58 6.611 -5.587 -26.211 466 H LYS 59 H LYS 59 8.695 -2.238 -25.448 467 HA LYS 59 HA LYS 59 10.069 -2.681 -27.909 468 HB2 LYS 59 HB2 LYS 59 8.925 -0.599 -27.227 469 HB3 LYS 59 HB3 LYS 59 10.154 -0.308 -26.011 470 HG2 LYS 59 HG2 LYS 59 10.647 1.103 -27.788 471 HG3 LYS 59 HG3 LYS 59 11.855 -0.173 -27.899 472 HD2 LYS 59 HD2 LYS 59 10.773 -1.150 -29.817 473 HD3 LYS 59 HD3 LYS 59 9.283 -0.202 -29.557 474 HE2 LYS 59 HE2 LYS 59 10.447 1.891 -30.007 475 HE3 LYS 59 HE3 LYS 59 11.998 1.063 -30.056 476 HZ1 LYS 59 HZ1 LYS 59 9.853 0.877 -32.069 477 HZ2 LYS 59 HZ2 LYS 59 11.212 -0.093 -32.077 478 HZ3 LYS 59 HZ3 LYS 59 11.326 1.536 -32.234 479 H GLU 60 H GLU 60 11.920 -3.690 -28.121 480 HA GLU 60 HA GLU 60 13.916 -4.082 -26.036 481 HB2 GLU 60 HB2 GLU 60 13.707 -4.658 -29.036 482 HB3 GLU 60 HB3 GLU 60 15.245 -4.787 -28.219 483 HG2 GLU 60 HG2 GLU 60 14.345 -6.964 -28.433 484 HG3 GLU 60 HG3 GLU 60 14.416 -6.533 -26.732 485 H GLU 61 H GLU 61 15.593 -2.559 -25.567 486 HA GLU 61 HA GLU 61 16.651 -0.970 -27.766 487 HB2 GLU 61 HB2 GLU 61 16.360 1.185 -26.502 488 HB3 GLU 61 HB3 GLU 61 14.915 0.533 -27.273 489 HG2 GLU 61 HG2 GLU 61 13.998 -0.177 -25.172 490 HG3 GLU 61 HG3 GLU 61 15.529 0.119 -24.331 491 H THR 62 H THR 62 18.637 0.082 -27.278 492 HA THR 62 HA THR 62 19.888 0.039 -24.783 493 HB THR 62 HB THR 62 19.987 -2.450 -25.371 494 HG1 THR 62 HG1 THR 62 21.230 -1.665 -23.841 495 HG21 THR 62 HG21 THR 62 22.020 -1.547 -27.438 496 HG22 THR 62 HG22 THR 62 20.533 -2.527 -27.664 497 HG23 THR 62 HG23 THR 62 21.893 -3.180 -26.763 498 H GLN 63 H GLN 63 22.287 0.660 -25.078 499 HA GLN 63 HA GLN 63 22.593 2.520 -27.371 500 HB2 GLN 63 HB2 GLN 63 23.810 3.951 -25.673 501 HB3 GLN 63 HB3 GLN 63 22.069 3.840 -25.455 502 HG2 GLN 63 HG2 GLN 63 22.283 2.371 -23.565 503 HG3 GLN 63 HG3 GLN 63 23.989 2.083 -23.883 504 HE21 GLN 63 HE21 GLN 63 25.511 3.486 -23.074 505 HE22 GLN 63 HE22 GLN 63 25.113 4.932 -22.143 Start of MODEL 16 1 H1 MET 1 H MET 1 2.722 0.636 0.448 2 HA MET 1 HA MET 1 3.515 0.796 -1.822 3 HB2 MET 1 HB2 MET 1 2.684 -2.005 -1.037 4 HB3 MET 1 HB3 MET 1 3.615 -1.634 -2.488 5 HG2 MET 1 HG2 MET 1 4.466 -0.963 0.354 6 HG3 MET 1 HG3 MET 1 5.101 -2.239 -0.668 7 HE1 MET 1 HE1 MET 1 4.756 1.799 -0.414 8 HE2 MET 1 HE2 MET 1 5.830 1.052 0.786 9 HE3 MET 1 HE3 MET 1 6.499 2.087 -0.486 10 H LYS 2 H LYS 2 3.043 0.957 -3.969 11 HA LYS 2 HA LYS 2 0.392 0.094 -4.954 12 HB2 LYS 2 HB2 LYS 2 0.197 2.490 -4.196 13 HB3 LYS 2 HB3 LYS 2 1.552 2.895 -5.264 14 HG2 LYS 2 HG2 LYS 2 0.207 2.078 -7.209 15 HG3 LYS 2 HG3 LYS 2 -1.169 1.821 -6.140 16 HD2 LYS 2 HD2 LYS 2 -0.815 4.358 -5.487 17 HD3 LYS 2 HD3 LYS 2 0.249 4.429 -6.875 18 HE2 LYS 2 HE2 LYS 2 -1.825 5.127 -7.750 19 HE3 LYS 2 HE3 LYS 2 -1.669 3.431 -8.239 20 HZ1 LYS 2 HZ1 LYS 2 -3.810 3.536 -7.394 21 HZ2 LYS 2 HZ2 LYS 2 -3.399 4.600 -6.211 22 HZ3 LYS 2 HZ3 LYS 2 -2.976 3.021 -6.065 23 H ASN 3 H ASN 3 1.007 -1.297 -6.355 24 HA ASN 3 HA ASN 3 3.534 -1.455 -7.668 25 HB2 ASN 3 HB2 ASN 3 2.166 -3.040 -9.203 26 HB3 ASN 3 HB3 ASN 3 2.499 -3.513 -7.565 27 HD21 ASN 3 HD21 ASN 3 0.107 -3.722 -9.776 28 HD22 ASN 3 HD22 ASN 3 -1.335 -3.553 -8.775 29 H ALA 4 H ALA 4 3.928 -1.212 -9.854 30 HA ALA 4 HA ALA 4 3.542 1.230 -11.003 31 HB1 ALA 4 HB1 ALA 4 5.248 -0.465 -11.614 32 HB2 ALA 4 HB2 ALA 4 4.003 -1.341 -12.529 33 HB3 ALA 4 HB3 ALA 4 4.478 0.297 -13.011 34 H ALA 5 H ALA 5 1.716 -1.715 -11.788 35 HA ALA 5 HA ALA 5 0.119 -0.745 -13.756 36 HB1 ALA 5 HB1 ALA 5 -1.429 -2.591 -13.215 37 HB2 ALA 5 HB2 ALA 5 0.255 -3.118 -13.105 38 HB3 ALA 5 HB3 ALA 5 -0.669 -2.778 -11.627 39 H GLN 6 H GLN 6 -0.460 -0.398 -10.235 40 HA GLN 6 HA GLN 6 -3.090 0.797 -10.535 41 HB2 GLN 6 HB2 GLN 6 -1.063 0.601 -8.266 42 HB3 GLN 6 HB3 GLN 6 -2.527 1.568 -8.146 43 HG2 GLN 6 HG2 GLN 6 -3.892 -0.384 -8.600 44 HG3 GLN 6 HG3 GLN 6 -2.451 -1.419 -8.550 45 HE21 GLN 6 HE21 GLN 6 -1.223 -1.384 -6.441 46 HE22 GLN 6 HE22 GLN 6 -2.066 -1.003 -4.953 47 H ILE 7 H ILE 7 0.278 1.991 -10.381 48 HA ILE 7 HA ILE 7 -0.383 4.748 -9.948 49 HB ILE 7 HB ILE 7 2.097 3.746 -11.409 50 HG12 ILE 7 HG12 ILE 7 1.376 3.450 -8.530 51 HG13 ILE 7 HG13 ILE 7 2.247 2.380 -9.594 52 HG21 ILE 7 HG21 ILE 7 1.622 6.210 -11.300 53 HG22 ILE 7 HG22 ILE 7 1.674 6.084 -9.521 54 HG23 ILE 7 HG23 ILE 7 3.123 5.757 -10.498 55 HD11 ILE 7 HD11 ILE 7 4.230 3.875 -9.453 56 HD12 ILE 7 HD12 ILE 7 3.348 4.827 -8.214 57 HD13 ILE 7 HD13 ILE 7 3.754 3.137 -7.906 58 H VAL 8 H VAL 8 0.317 2.840 -12.926 59 HA VAL 8 HA VAL 8 -0.235 5.099 -14.618 60 HB VAL 8 HB VAL 8 -0.386 2.181 -15.377 61 HG11 VAL 8 HG11 VAL 8 0.095 2.958 -17.669 62 HG12 VAL 8 HG12 VAL 8 -1.435 3.585 -17.054 63 HG13 VAL 8 HG13 VAL 8 -0.010 4.651 -17.097 64 HG21 VAL 8 HG21 VAL 8 1.968 4.015 -15.276 65 HG22 VAL 8 HG22 VAL 8 1.757 2.439 -14.504 66 HG23 VAL 8 HG23 VAL 8 1.937 2.523 -16.249 67 H ASP 9 H ASP 9 -2.350 2.630 -13.283 68 HA ASP 9 HA ASP 9 -4.692 3.305 -14.804 69 HB2 ASP 9 HB2 ASP 9 -4.188 1.882 -12.206 70 HB3 ASP 9 HB3 ASP 9 -5.787 2.589 -12.401 71 H GLU 10 H GLU 10 -3.498 4.617 -11.701 72 HA GLU 10 HA GLU 10 -5.665 6.449 -11.317 73 HB2 GLU 10 HB2 GLU 10 -2.819 6.195 -10.313 74 HB3 GLU 10 HB3 GLU 10 -3.624 7.719 -10.076 75 HG2 GLU 10 HG2 GLU 10 -4.578 5.007 -9.100 76 HG3 GLU 10 HG3 GLU 10 -3.887 6.290 -8.124 77 H ALA 11 H ALA 11 -2.542 6.764 -13.076 78 HA ALA 11 HA ALA 11 -2.943 9.549 -13.638 79 HB1 ALA 11 HB1 ALA 11 -0.789 8.074 -13.769 80 HB2 ALA 11 HB2 ALA 11 -1.333 7.693 -15.409 81 HB3 ALA 11 HB3 ALA 11 -1.003 9.384 -14.943 82 H LEU 12 H LEU 12 -3.629 6.608 -15.502 83 HA LEU 12 HA LEU 12 -4.585 7.747 -17.868 84 HB2 LEU 12 HB2 LEU 12 -4.125 5.412 -17.766 85 HB3 LEU 12 HB3 LEU 12 -5.225 5.172 -16.399 86 HG LEU 12 HG LEU 12 -7.140 5.748 -17.786 87 HD11 LEU 12 HD11 LEU 12 -6.842 5.737 -20.322 88 HD12 LEU 12 HD12 LEU 12 -5.082 5.811 -20.069 89 HD13 LEU 12 HD13 LEU 12 -6.111 7.148 -19.567 90 HD21 LEU 12 HD21 LEU 12 -7.184 3.665 -19.121 91 HD22 LEU 12 HD22 LEU 12 -6.513 3.409 -17.504 92 HD23 LEU 12 HD23 LEU 12 -5.429 3.496 -18.916 93 H ASN 13 H ASN 13 -6.233 7.197 -14.836 94 HA ASN 13 HA ASN 13 -8.912 7.741 -15.505 95 HB2 ASN 13 HB2 ASN 13 -7.629 7.093 -13.223 96 HB3 ASN 13 HB3 ASN 13 -7.821 8.815 -12.917 97 HD21 ASN 13 HD21 ASN 13 -9.066 6.211 -11.811 98 HD22 ASN 13 HD22 ASN 13 -10.780 6.528 -11.814 99 H GLN 14 H GLN 14 -6.167 9.990 -14.961 100 HA GLN 14 HA GLN 14 -7.868 12.369 -15.203 101 HB2 GLN 14 HB2 GLN 14 -4.857 12.353 -15.065 102 HB3 GLN 14 HB3 GLN 14 -6.021 13.560 -14.522 103 HG2 GLN 14 HG2 GLN 14 -6.687 11.676 -12.791 104 HG3 GLN 14 HG3 GLN 14 -5.150 10.964 -13.244 105 HE21 GLN 14 HE21 GLN 14 -4.591 11.305 -10.901 106 HE22 GLN 14 HE22 GLN 14 -3.891 12.839 -10.474 107 H GLY 15 H GLY 15 -6.612 10.231 -17.381 108 HA2 GLY 15 HA2 GLY 15 -6.551 10.366 -19.655 109 HA3 GLY 15 HA3 GLY 15 -6.669 12.129 -19.581 110 H ILE 16 H ILE 16 -4.097 10.246 -17.856 111 HA ILE 16 HA ILE 16 -2.125 11.073 -19.885 112 HB ILE 16 HB ILE 16 -1.899 12.796 -18.330 113 HG12 ILE 16 HG12 ILE 16 0.175 11.502 -18.954 114 HG13 ILE 16 HG13 ILE 16 0.248 12.749 -17.738 115 HG21 ILE 16 HG21 ILE 16 -3.278 12.176 -16.503 116 HG22 ILE 16 HG22 ILE 16 -2.147 10.908 -16.030 117 HG23 ILE 16 HG23 ILE 16 -1.672 12.604 -15.907 118 HD11 ILE 16 HD11 ILE 16 0.270 11.072 -15.953 119 HD12 ILE 16 HD12 ILE 16 0.281 9.787 -17.176 120 HD13 ILE 16 HD13 ILE 16 1.622 10.943 -17.078 121 H THR 17 H THR 17 -0.741 9.458 -20.349 122 HA THR 17 HA THR 17 -0.819 7.032 -18.580 123 HB THR 17 HB THR 17 -0.464 7.182 -21.613 124 HG1 THR 17 HG1 THR 17 -2.527 6.333 -21.654 125 HG21 THR 17 HG21 THR 17 -0.940 4.699 -21.458 126 HG22 THR 17 HG22 THR 17 -0.760 4.806 -19.708 127 HG23 THR 17 HG23 THR 17 0.621 5.155 -20.793 128 H LEU 18 H LEU 18 1.203 5.727 -18.749 129 HA LEU 18 HA LEU 18 3.569 7.515 -18.731 130 HB2 LEU 18 HB2 LEU 18 2.975 5.147 -16.825 131 HB3 LEU 18 HB3 LEU 18 4.502 5.994 -17.030 132 HG LEU 18 HG LEU 18 3.539 6.874 -15.120 133 HD11 LEU 18 HD11 LEU 18 2.755 8.968 -17.143 134 HD12 LEU 18 HD12 LEU 18 4.451 8.648 -16.671 135 HD13 LEU 18 HD13 LEU 18 3.255 9.214 -15.478 136 HD21 LEU 18 HD21 LEU 18 1.369 7.678 -14.766 137 HD22 LEU 18 HD22 LEU 18 1.217 6.113 -15.572 138 HD23 LEU 18 HD23 LEU 18 0.941 7.602 -16.483 139 H PHE 19 H PHE 19 5.357 6.825 -19.823 140 HA PHE 19 HA PHE 19 5.413 4.166 -21.108 141 HB2 PHE 19 HB2 PHE 19 5.010 6.786 -22.507 142 HB3 PHE 19 HB3 PHE 19 6.206 5.712 -23.229 143 HD1 PHE 19 HD1 PHE 19 3.714 6.816 -24.527 144 HD2 PHE 19 HD2 PHE 19 4.540 3.016 -22.607 145 HE1 PHE 19 HE1 PHE 19 1.897 5.747 -25.818 146 HE2 PHE 19 HE2 PHE 19 2.757 1.980 -23.914 147 HZ PHE 19 HZ PHE 19 1.387 3.331 -25.486 148 H VAL 20 H VAL 20 7.585 3.832 -22.256 149 HA VAL 20 HA VAL 20 9.760 5.285 -20.849 150 HB VAL 20 HB VAL 20 9.164 2.318 -20.978 151 HG11 VAL 20 HG11 VAL 20 11.486 1.674 -20.775 152 HG12 VAL 20 HG12 VAL 20 11.245 2.366 -22.361 153 HG13 VAL 20 HG13 VAL 20 12.061 3.331 -21.098 154 HG21 VAL 20 HG21 VAL 20 10.900 3.927 -19.122 155 HG22 VAL 20 HG22 VAL 20 9.136 3.916 -18.996 156 HG23 VAL 20 HG23 VAL 20 10.036 2.397 -18.853 157 H ALA 21 H ALA 21 11.463 5.858 -21.916 158 HA ALA 21 HA ALA 21 12.300 5.029 -24.530 159 HB1 ALA 21 HB1 ALA 21 11.039 7.795 -24.139 160 HB2 ALA 21 HB2 ALA 21 12.069 7.317 -25.513 161 HB3 ALA 21 HB3 ALA 21 10.507 6.534 -25.276 162 H ASP 22 H ASP 22 14.427 5.982 -24.854 163 HA ASP 22 HA ASP 22 16.486 6.587 -24.113 164 HB2 ASP 22 HB2 ASP 22 14.753 8.707 -23.917 165 HB3 ASP 22 HB3 ASP 22 15.350 8.681 -22.290 166 H ASN 23 H ASN 23 15.018 4.527 -22.430 167 HA ASN 23 HA ASN 23 15.181 3.431 -20.549 168 HB2 ASN 23 HB2 ASN 23 17.590 3.397 -21.344 169 HB3 ASN 23 HB3 ASN 23 17.910 4.754 -20.257 170 HD21 ASN 23 HD21 ASN 23 16.646 1.319 -20.236 171 HD22 ASN 23 HD22 ASN 23 17.445 0.977 -18.729 172 H ARG 24 H ARG 24 13.889 6.096 -20.408 173 HA ARG 24 HA ARG 24 14.081 6.475 -17.473 174 HB2 ARG 24 HB2 ARG 24 14.429 8.774 -17.614 175 HB3 ARG 24 HB3 ARG 24 15.471 8.147 -18.902 176 HG2 ARG 24 HG2 ARG 24 13.640 8.635 -20.524 177 HG3 ARG 24 HG3 ARG 24 12.773 9.509 -19.247 178 HD2 ARG 24 HD2 ARG 24 15.586 10.073 -20.228 179 HD3 ARG 24 HD3 ARG 24 14.145 10.885 -20.822 180 HE ARG 24 HE ARG 24 14.429 11.036 -17.925 181 HH11 ARG 24 HH11 ARG 24 15.480 12.548 -20.970 182 HH12 ARG 24 HH12 ARG 24 15.344 14.172 -20.385 183 HH21 ARG 24 HH21 ARG 24 14.426 13.252 -17.089 184 HH22 ARG 24 HH22 ARG 24 14.814 14.542 -18.182 185 H LEU 25 H LEU 25 12.184 7.877 -16.672 186 HA LEU 25 HA LEU 25 9.724 6.640 -17.611 187 HB2 LEU 25 HB2 LEU 25 10.328 7.026 -15.200 188 HB3 LEU 25 HB3 LEU 25 10.303 8.755 -15.464 189 HG LEU 25 HG LEU 25 8.356 7.633 -14.276 190 HD11 LEU 25 HD11 LEU 25 6.693 9.137 -15.049 191 HD12 LEU 25 HD12 LEU 25 7.538 9.415 -16.579 192 HD13 LEU 25 HD13 LEU 25 8.263 9.952 -15.042 193 HD21 LEU 25 HD21 LEU 25 6.537 6.709 -15.594 194 HD22 LEU 25 HD22 LEU 25 8.011 5.751 -15.776 195 HD23 LEU 25 HD23 LEU 25 7.474 6.841 -17.077 196 H GLN 26 H GLN 26 8.251 7.590 -19.000 197 HA GLN 26 HA GLN 26 8.228 10.503 -19.371 198 HB2 GLN 26 HB2 GLN 26 8.611 8.408 -21.543 199 HB3 GLN 26 HB3 GLN 26 7.602 9.798 -21.848 200 HG2 GLN 26 HG2 GLN 26 9.395 10.983 -22.387 201 HG3 GLN 26 HG3 GLN 26 9.789 11.014 -20.670 202 HE21 GLN 26 HE21 GLN 26 10.479 7.955 -20.851 203 HE22 GLN 26 HE22 GLN 26 12.068 8.082 -21.533 204 H TYR 27 H TYR 27 6.109 10.947 -20.768 205 HA TYR 27 HA TYR 27 3.881 9.290 -19.888 206 HB2 TYR 27 HB2 TYR 27 2.858 11.697 -19.185 207 HB3 TYR 27 HB3 TYR 27 3.676 10.673 -18.035 208 HD1 TYR 27 HD1 TYR 27 5.896 11.113 -17.221 209 HD2 TYR 27 HD2 TYR 27 4.062 13.751 -20.095 210 HE1 TYR 27 HE1 TYR 27 7.766 12.707 -16.975 211 HE2 TYR 27 HE2 TYR 27 5.845 15.443 -19.679 212 HH TYR 27 HH TYR 27 8.782 14.536 -18.002 213 H GLU 28 H GLU 28 2.009 9.799 -20.987 214 HA GLU 28 HA GLU 28 2.209 11.667 -23.293 215 HB2 GLU 28 HB2 GLU 28 2.812 9.401 -24.046 216 HB3 GLU 28 HB3 GLU 28 1.260 8.783 -23.454 217 HG2 GLU 28 HG2 GLU 28 0.009 10.088 -25.025 218 HG3 GLU 28 HG3 GLU 28 1.425 11.051 -25.459 219 H THR 29 H THR 29 0.627 13.100 -22.973 220 HA THR 29 HA THR 29 -2.061 12.141 -22.233 221 HB THR 29 HB THR 29 -0.910 13.077 -20.237 222 HG1 THR 29 HG1 THR 29 -3.159 13.267 -20.465 223 HG21 THR 29 HG21 THR 29 -0.904 15.740 -21.728 224 HG22 THR 29 HG22 THR 29 0.524 14.763 -21.310 225 HG23 THR 29 HG23 THR 29 -0.476 15.454 -20.026 226 H SER 30 H SER 30 -3.650 13.853 -22.754 227 HA SER 30 HA SER 30 -2.971 15.352 -25.227 228 HB2 SER 30 HB2 SER 30 -4.352 13.144 -25.407 229 HB3 SER 30 HB3 SER 30 -5.692 14.118 -24.771 230 HG SER 30 HG SER 30 -5.830 14.490 -26.891 231 H ARG 31 H ARG 31 -3.343 15.834 -22.104 232 HA ARG 31 HA ARG 31 -5.523 17.725 -21.811 233 HB2 ARG 31 HB2 ARG 31 -2.942 17.102 -20.288 234 HB3 ARG 31 HB3 ARG 31 -4.121 18.275 -19.717 235 HG2 ARG 31 HG2 ARG 31 -5.807 16.584 -19.357 236 HG3 ARG 31 HG3 ARG 31 -4.830 15.359 -20.164 237 HD2 ARG 31 HD2 ARG 31 -4.427 14.962 -17.875 238 HD3 ARG 31 HD3 ARG 31 -3.000 15.822 -18.412 239 HE ARG 31 HE ARG 31 -3.694 17.792 -17.288 240 HH11 ARG 31 HH11 ARG 31 -5.963 15.079 -16.691 241 HH12 ARG 31 HH12 ARG 31 -6.705 15.855 -15.343 242 HH21 ARG 31 HH21 ARG 31 -4.650 18.728 -15.480 243 HH22 ARG 31 HH22 ARG 31 -5.889 17.889 -14.553 244 H ASP 32 H ASP 32 -4.908 20.026 -21.100 245 HA ASP 32 HA ASP 32 -3.546 21.336 -23.259 246 HB2 ASP 32 HB2 ASP 32 -5.337 22.346 -21.802 247 HB3 ASP 32 HB3 ASP 32 -4.160 22.453 -20.488 248 H ASN 33 H ASN 33 -2.584 20.332 -19.994 249 HA ASN 33 HA ASN 33 0.179 20.120 -20.584 250 HB2 ASN 33 HB2 ASN 33 -0.027 22.603 -20.219 251 HB3 ASN 33 HB3 ASN 33 -0.708 22.260 -18.631 252 HD21 ASN 33 HD21 ASN 33 2.194 20.439 -19.980 253 HD22 ASN 33 HD22 ASN 33 3.248 21.194 -18.797 254 H ILE 34 H ILE 34 1.147 19.804 -17.921 255 HA ILE 34 HA ILE 34 -0.798 17.990 -16.642 256 HB ILE 34 HB ILE 34 0.873 16.767 -17.994 257 HG12 ILE 34 HG12 ILE 34 1.909 15.366 -16.018 258 HG13 ILE 34 HG13 ILE 34 0.985 16.414 -14.962 259 HG21 ILE 34 HG21 ILE 34 3.225 16.722 -17.474 260 HG22 ILE 34 HG22 ILE 34 2.753 18.376 -17.861 261 HG23 ILE 34 HG23 ILE 34 3.004 17.904 -16.167 262 HD11 ILE 34 HD11 ILE 34 -1.120 15.773 -16.175 263 HD12 ILE 34 HD12 ILE 34 -0.186 14.818 -17.319 264 HD13 ILE 34 HD13 ILE 34 -0.250 14.330 -15.609 265 HA PRO 35 HA PRO 35 0.319 20.655 -13.231 266 HB2 PRO 35 HB2 PRO 35 -0.575 19.031 -11.126 267 HB3 PRO 35 HB3 PRO 35 -1.620 20.166 -12.075 268 HG2 PRO 35 HG2 PRO 35 -1.219 17.238 -12.185 269 HG3 PRO 35 HG3 PRO 35 -2.723 18.141 -12.536 270 HD2 PRO 35 HD2 PRO 35 -1.054 17.038 -14.436 271 HD3 PRO 35 HD3 PRO 35 -2.086 18.436 -14.771 272 H GLU 36 H GLU 36 1.837 20.699 -11.424 273 HA GLU 36 HA GLU 36 4.111 18.996 -11.880 274 HB2 GLU 36 HB2 GLU 36 5.146 20.149 -10.070 275 HB3 GLU 36 HB3 GLU 36 4.212 21.310 -11.079 276 HG2 GLU 36 HG2 GLU 36 2.334 20.895 -9.264 277 HG3 GLU 36 HG3 GLU 36 3.652 20.262 -8.291 278 H GLU 37 H GLU 37 1.462 18.872 -9.499 279 HA GLU 37 HA GLU 37 2.746 17.147 -7.656 280 HB2 GLU 37 HB2 GLU 37 0.523 16.676 -6.814 281 HB3 GLU 37 HB3 GLU 37 0.731 18.409 -7.147 282 HG2 GLU 37 HG2 GLU 37 -0.356 17.595 -9.527 283 HG3 GLU 37 HG3 GLU 37 -1.021 16.366 -8.459 284 H LEU 38 H LEU 38 1.017 16.545 -10.691 285 HA LEU 38 HA LEU 38 0.858 13.697 -10.457 286 HB2 LEU 38 HB2 LEU 38 0.591 15.768 -12.637 287 HB3 LEU 38 HB3 LEU 38 0.891 14.147 -13.156 288 HG LEU 38 HG LEU 38 -1.520 15.079 -12.990 289 HD11 LEU 38 HD11 LEU 38 -0.964 12.344 -11.864 290 HD12 LEU 38 HD12 LEU 38 -0.839 12.746 -13.599 291 HD13 LEU 38 HD13 LEU 38 -2.390 12.825 -12.794 292 HD21 LEU 38 HD21 LEU 38 -2.746 14.601 -10.939 293 HD22 LEU 38 HD22 LEU 38 -1.462 15.748 -10.591 294 HD23 LEU 38 HD23 LEU 38 -1.278 14.047 -10.123 295 H LEU 39 H LEU 39 3.076 15.971 -12.136 296 HA LEU 39 HA LEU 39 4.883 13.969 -13.092 297 HB2 LEU 39 HB2 LEU 39 5.395 16.876 -12.282 298 HB3 LEU 39 HB3 LEU 39 6.610 15.844 -13.033 299 HG LEU 39 HG LEU 39 3.959 16.615 -14.330 300 HD11 LEU 39 HD11 LEU 39 5.381 18.049 -15.775 301 HD12 LEU 39 HD12 LEU 39 6.811 17.605 -14.821 302 HD13 LEU 39 HD13 LEU 39 5.489 18.534 -14.082 303 HD21 LEU 39 HD21 LEU 39 5.070 15.729 -16.405 304 HD22 LEU 39 HD22 LEU 39 4.722 14.475 -15.225 305 HD23 LEU 39 HD23 LEU 39 6.387 15.104 -15.406 306 H ASN 40 H ASN 40 4.820 15.750 -10.027 307 HA ASN 40 HA ASN 40 7.156 14.621 -8.902 308 HB2 ASN 40 HB2 ASN 40 4.798 16.201 -7.906 309 HB3 ASN 40 HB3 ASN 40 5.736 15.315 -6.711 310 HD21 ASN 40 HD21 ASN 40 5.749 17.968 -8.960 311 HD22 ASN 40 HD22 ASN 40 7.268 18.680 -8.427 312 H GLU 41 H GLU 41 3.783 13.465 -8.816 313 HA GLU 41 HA GLU 41 4.323 11.349 -6.934 314 HB2 GLU 41 HB2 GLU 41 2.127 12.236 -8.728 315 HB3 GLU 41 HB3 GLU 41 2.124 10.515 -8.366 316 HG2 GLU 41 HG2 GLU 41 2.356 11.097 -5.904 317 HG3 GLU 41 HG3 GLU 41 2.068 12.776 -6.347 318 H TRP 42 H TRP 42 4.199 11.505 -10.510 319 HA TRP 42 HA TRP 42 4.819 8.702 -10.846 320 HB2 TRP 42 HB2 TRP 42 5.241 10.960 -12.800 321 HB3 TRP 42 HB3 TRP 42 5.084 9.249 -13.156 322 HD1 TRP 42 HD1 TRP 42 3.258 11.510 -14.431 323 HE1 TRP 42 HE1 TRP 42 0.717 11.397 -14.217 324 HE3 TRP 42 HE3 TRP 42 2.820 8.530 -10.223 325 HZ2 TRP 42 HZ2 TRP 42 -1.237 10.221 -12.487 326 HZ3 TRP 42 HZ3 TRP 42 0.580 7.979 -9.355 327 HH2 TRP 42 HH2 TRP 42 -1.443 8.709 -10.555 328 H LYS 43 H LYS 43 6.835 11.646 -10.712 329 HA LYS 43 HA LYS 43 9.296 10.369 -11.388 330 HB2 LYS 43 HB2 LYS 43 8.531 12.890 -9.879 331 HB3 LYS 43 HB3 LYS 43 10.231 12.404 -10.053 332 HG2 LYS 43 HG2 LYS 43 10.082 12.486 -12.479 333 HG3 LYS 43 HG3 LYS 43 8.366 12.635 -12.413 334 HD2 LYS 43 HD2 LYS 43 9.012 14.770 -12.921 335 HD3 LYS 43 HD3 LYS 43 8.676 14.896 -11.198 336 HE2 LYS 43 HE2 LYS 43 11.479 14.363 -12.300 337 HE3 LYS 43 HE3 LYS 43 10.812 15.990 -12.182 338 HZ1 LYS 43 HZ1 LYS 43 10.634 15.755 -9.801 339 HZ2 LYS 43 HZ2 LYS 43 12.141 15.422 -10.264 340 HZ3 LYS 43 HZ3 LYS 43 11.187 14.188 -9.857 341 H TYR 44 H TYR 44 7.484 10.656 -8.347 342 HA TYR 44 HA TYR 44 9.640 9.800 -6.681 343 HB2 TYR 44 HB2 TYR 44 7.663 11.099 -5.924 344 HB3 TYR 44 HB3 TYR 44 6.642 9.678 -6.174 345 HD1 TYR 44 HD1 TYR 44 10.056 10.164 -4.571 346 HD2 TYR 44 HD2 TYR 44 5.927 9.023 -4.019 347 HE1 TYR 44 HE1 TYR 44 10.587 9.380 -2.337 348 HE2 TYR 44 HE2 TYR 44 6.449 8.233 -1.745 349 HH TYR 44 HH TYR 44 9.846 8.125 -0.552 350 H TYR 45 H TYR 45 7.381 7.966 -8.705 351 HA TYR 45 HA TYR 45 8.541 5.429 -7.679 352 HB2 TYR 45 HB2 TYR 45 5.679 6.059 -8.495 353 HB3 TYR 45 HB3 TYR 45 6.335 4.447 -8.501 354 HD1 TYR 45 HD1 TYR 45 6.890 3.134 -6.642 355 HD2 TYR 45 HD2 TYR 45 5.506 7.197 -6.117 356 HE1 TYR 45 HE1 TYR 45 6.610 2.724 -4.237 357 HE2 TYR 45 HE2 TYR 45 5.208 6.772 -3.688 358 HH TYR 45 HH TYR 45 5.794 5.224 -1.860 359 H ARG 46 H ARG 46 9.509 7.264 -9.862 360 HA ARG 46 HA ARG 46 8.791 6.324 -12.379 361 HB2 ARG 46 HB2 ARG 46 10.493 7.553 -13.207 362 HB3 ARG 46 HB3 ARG 46 10.291 8.339 -11.689 363 HG2 ARG 46 HG2 ARG 46 12.429 6.233 -12.296 364 HG3 ARG 46 HG3 ARG 46 12.654 7.967 -12.466 365 HD2 ARG 46 HD2 ARG 46 12.325 8.397 -10.182 366 HD3 ARG 46 HD3 ARG 46 11.691 6.815 -9.837 367 HE ARG 46 HE ARG 46 13.729 6.234 -9.234 368 HH11 ARG 46 HH11 ARG 46 14.233 8.950 -11.410 369 HH12 ARG 46 HH12 ARG 46 15.974 8.862 -11.293 370 HH21 ARG 46 HH21 ARG 46 15.937 5.903 -9.335 371 HH22 ARG 46 HH22 ARG 46 16.984 7.055 -10.066 372 H GLN 47 H GLN 47 11.232 4.942 -10.129 373 HA GLN 47 HA GLN 47 12.297 3.089 -11.990 374 HB2 GLN 47 HB2 GLN 47 13.295 3.889 -9.769 375 HB3 GLN 47 HB3 GLN 47 12.149 2.832 -8.955 376 HG2 GLN 47 HG2 GLN 47 14.308 1.748 -9.098 377 HG3 GLN 47 HG3 GLN 47 13.151 0.856 -10.073 378 HE21 GLN 47 HE21 GLN 47 13.545 0.633 -12.283 379 HE22 GLN 47 HE22 GLN 47 14.721 1.468 -13.199 380 H ASP 48 H ASP 48 9.543 2.957 -9.743 381 HA ASP 48 HA ASP 48 9.056 0.131 -10.031 382 HB2 ASP 48 HB2 ASP 48 8.234 2.041 -8.283 383 HB3 ASP 48 HB3 ASP 48 6.824 2.067 -9.380 384 H LEU 49 H LEU 49 7.751 3.064 -11.421 385 HA LEU 49 HA LEU 49 5.809 1.964 -13.162 386 HB2 LEU 49 HB2 LEU 49 7.441 4.526 -13.160 387 HB3 LEU 49 HB3 LEU 49 6.450 4.151 -14.555 388 HG LEU 49 HG LEU 49 5.158 4.122 -11.837 389 HD11 LEU 49 HD11 LEU 49 5.681 6.609 -13.505 390 HD12 LEU 49 HD12 LEU 49 6.371 6.247 -11.906 391 HD13 LEU 49 HD13 LEU 49 4.636 6.519 -12.082 392 HD21 LEU 49 HD21 LEU 49 3.825 3.281 -13.586 393 HD22 LEU 49 HD22 LEU 49 4.167 4.694 -14.614 394 HD23 LEU 49 HD23 LEU 49 3.220 4.874 -13.108 395 H ILE 50 H ILE 50 9.039 3.210 -14.144 396 HA ILE 50 HA ILE 50 9.036 2.299 -16.693 397 HB ILE 50 HB ILE 50 11.321 2.433 -14.657 398 HG12 ILE 50 HG12 ILE 50 11.031 4.343 -16.988 399 HG13 ILE 50 HG13 ILE 50 10.028 4.554 -15.575 400 HG21 ILE 50 HG21 ILE 50 11.613 1.778 -17.609 401 HG22 ILE 50 HG22 ILE 50 12.922 2.524 -16.701 402 HG23 ILE 50 HG23 ILE 50 12.299 0.957 -16.204 403 HD11 ILE 50 HD11 ILE 50 12.095 5.873 -15.300 404 HD12 ILE 50 HD12 ILE 50 12.150 4.535 -14.159 405 HD13 ILE 50 HD13 ILE 50 13.080 4.461 -15.663 406 H ASP 51 H ASP 51 10.125 0.294 -13.888 407 HA ASP 51 HA ASP 51 11.045 -1.862 -15.265 408 HB2 ASP 51 HB2 ASP 51 10.763 -1.433 -12.686 409 HB3 ASP 51 HB3 ASP 51 9.135 -2.020 -12.845 410 H PHE 52 H PHE 52 7.621 -1.069 -14.690 411 HA PHE 52 HA PHE 52 6.737 -3.547 -16.069 412 HB2 PHE 52 HB2 PHE 52 5.392 -1.293 -14.560 413 HB3 PHE 52 HB3 PHE 52 4.470 -2.314 -15.647 414 HD1 PHE 52 HD1 PHE 52 7.086 -2.980 -12.958 415 HD2 PHE 52 HD2 PHE 52 3.168 -3.858 -14.559 416 HE1 PHE 52 HE1 PHE 52 6.710 -4.607 -11.143 417 HE2 PHE 52 HE2 PHE 52 2.790 -5.468 -12.723 418 HZ PHE 52 HZ PHE 52 4.548 -5.829 -10.990 419 H LEU 53 H LEU 53 7.107 -0.072 -16.635 420 HA LEU 53 HA LEU 53 5.464 0.304 -18.933 421 HB2 LEU 53 HB2 LEU 53 8.091 1.586 -18.309 422 HB3 LEU 53 HB3 LEU 53 7.042 2.105 -19.585 423 HG LEU 53 HG LEU 53 6.313 2.136 -16.651 424 HD11 LEU 53 HD11 LEU 53 6.198 4.518 -16.933 425 HD12 LEU 53 HD12 LEU 53 6.735 4.317 -18.616 426 HD13 LEU 53 HD13 LEU 53 7.827 3.916 -17.262 427 HD21 LEU 53 HD21 LEU 53 4.740 2.923 -19.038 428 HD22 LEU 53 HD22 LEU 53 4.324 3.313 -17.335 429 HD23 LEU 53 HD23 LEU 53 4.340 1.639 -17.901 430 H GLN 54 H GLN 54 8.836 -0.774 -18.716 431 HA GLN 54 HA GLN 54 9.432 -0.916 -21.451 432 HB2 GLN 54 HB2 GLN 54 10.282 -2.888 -19.329 433 HB3 GLN 54 HB3 GLN 54 11.162 -2.490 -20.810 434 HG2 GLN 54 HG2 GLN 54 10.865 -0.063 -19.260 435 HG3 GLN 54 HG3 GLN 54 11.241 -1.309 -18.113 436 HE21 GLN 54 HE21 GLN 54 12.832 1.012 -19.291 437 HE22 GLN 54 HE22 GLN 54 14.279 0.304 -20.035 438 H GLN 55 H GLN 55 7.769 -3.224 -19.348 439 HA GLN 55 HA GLN 55 7.450 -5.332 -21.303 440 HB2 GLN 55 HB2 GLN 55 5.955 -5.024 -18.668 441 HB3 GLN 55 HB3 GLN 55 6.353 -6.500 -19.537 442 HG2 GLN 55 HG2 GLN 55 8.791 -6.078 -19.074 443 HG3 GLN 55 HG3 GLN 55 8.320 -4.676 -18.110 444 HE21 GLN 55 HE21 GLN 55 9.139 -7.912 -17.814 445 HE22 GLN 55 HE22 GLN 55 8.330 -8.223 -16.282 446 H LEU 56 H LEU 56 5.347 -2.803 -19.905 447 HA LEU 56 HA LEU 56 2.870 -3.485 -21.072 448 HB2 LEU 56 HB2 LEU 56 4.095 -1.067 -19.875 449 HB3 LEU 56 HB3 LEU 56 2.853 -0.742 -21.066 450 HG LEU 56 HG LEU 56 1.310 -2.288 -19.872 451 HD11 LEU 56 HD11 LEU 56 3.382 -2.275 -17.649 452 HD12 LEU 56 HD12 LEU 56 2.971 -3.687 -18.636 453 HD13 LEU 56 HD13 LEU 56 1.754 -2.984 -17.566 454 HD21 LEU 56 HD21 LEU 56 2.434 0.011 -18.239 455 HD22 LEU 56 HD22 LEU 56 0.822 -0.743 -18.011 456 HD23 LEU 56 HD23 LEU 56 1.206 0.102 -19.516 457 H ASP 57 H ASP 57 5.666 -1.796 -22.418 458 HA ASP 57 HA ASP 57 4.286 -1.290 -24.989 459 HB2 ASP 57 HB2 ASP 57 5.650 0.399 -23.741 460 HB3 ASP 57 HB3 ASP 57 7.099 -0.557 -24.137 461 H ALA 58 H ALA 58 6.496 -3.491 -23.478 462 HA ALA 58 HA ALA 58 7.714 -5.234 -24.078 463 HB1 ALA 58 HB1 ALA 58 6.726 -6.696 -25.899 464 HB2 ALA 58 HB2 ALA 58 5.611 -6.199 -24.621 465 HB3 ALA 58 HB3 ALA 58 5.565 -5.396 -26.213 466 H LYS 59 H LYS 59 8.618 -2.652 -25.119 467 HA LYS 59 HA LYS 59 10.573 -3.666 -27.020 468 HB2 LYS 59 HB2 LYS 59 8.801 -3.029 -28.558 469 HB3 LYS 59 HB3 LYS 59 8.508 -1.514 -27.701 470 HG2 LYS 59 HG2 LYS 59 10.627 -0.601 -28.411 471 HG3 LYS 59 HG3 LYS 59 11.122 -2.167 -29.085 472 HD2 LYS 59 HD2 LYS 59 9.514 -1.960 -30.859 473 HD3 LYS 59 HD3 LYS 59 8.748 -0.565 -30.082 474 HE2 LYS 59 HE2 LYS 59 10.267 0.191 -31.890 475 HE3 LYS 59 HE3 LYS 59 10.799 0.761 -30.304 476 HZ1 LYS 59 HZ1 LYS 59 12.399 -1.053 -30.255 477 HZ2 LYS 59 HZ2 LYS 59 12.690 -0.110 -31.524 478 HZ3 LYS 59 HZ3 LYS 59 11.924 -1.533 -31.790 479 H GLU 60 H GLU 60 12.262 -2.137 -27.341 480 HA GLU 60 HA GLU 60 12.583 0.190 -25.636 481 HB2 GLU 60 HB2 GLU 60 14.529 -2.164 -25.673 482 HB3 GLU 60 HB3 GLU 60 14.793 -0.630 -24.851 483 HG2 GLU 60 HG2 GLU 60 13.224 -1.121 -23.136 484 HG3 GLU 60 HG3 GLU 60 12.592 -2.542 -24.010 485 H GLU 61 H GLU 61 15.138 0.635 -26.230 486 HA GLU 61 HA GLU 61 16.018 0.160 -28.892 487 HB2 GLU 61 HB2 GLU 61 14.761 2.806 -28.056 488 HB3 GLU 61 HB3 GLU 61 16.212 2.870 -29.049 489 HG2 GLU 61 HG2 GLU 61 13.563 1.627 -29.792 490 HG3 GLU 61 HG3 GLU 61 14.366 3.004 -30.538 491 H THR 62 H THR 62 18.061 2.135 -28.787 492 HA THR 62 HA THR 62 19.374 1.603 -26.177 493 HB THR 62 HB THR 62 20.217 0.058 -27.888 494 HG1 THR 62 HG1 THR 62 22.279 0.398 -27.307 495 HG21 THR 62 HG21 THR 62 21.703 0.957 -29.679 496 HG22 THR 62 HG22 THR 62 21.108 2.588 -29.321 497 HG23 THR 62 HG23 THR 62 19.996 1.350 -29.945 498 H GLN 63 H GLN 63 21.536 3.310 -26.474 499 HA GLN 63 HA GLN 63 20.525 5.929 -27.317 500 HB2 GLN 63 HB2 GLN 63 20.803 7.002 -25.157 501 HB3 GLN 63 HB3 GLN 63 19.555 5.769 -25.112 502 HG2 GLN 63 HG2 GLN 63 20.677 5.538 -23.074 503 HG3 GLN 63 HG3 GLN 63 21.250 4.181 -24.050 504 HE21 GLN 63 HE21 GLN 63 23.352 3.845 -23.374 505 HE22 GLN 63 HE22 GLN 63 24.603 5.066 -23.319 Start of MODEL 17 1 H1 MET 1 H MET 1 4.973 0.006 -2.402 2 HA MET 1 HA MET 1 3.062 -2.067 -1.570 3 HB2 MET 1 HB2 MET 1 3.393 -0.026 -0.079 4 HB3 MET 1 HB3 MET 1 2.535 0.892 -1.310 5 HG2 MET 1 HG2 MET 1 0.898 0.168 0.267 6 HG3 MET 1 HG3 MET 1 0.679 -0.861 -1.141 7 HE1 MET 1 HE1 MET 1 1.520 -0.610 2.655 8 HE2 MET 1 HE2 MET 1 2.376 -2.126 2.996 9 HE3 MET 1 HE3 MET 1 3.167 -0.867 2.032 10 H LYS 2 H LYS 2 1.849 0.874 -3.062 11 HA LYS 2 HA LYS 2 0.405 -0.433 -5.048 12 HB2 LYS 2 HB2 LYS 2 0.168 1.939 -4.088 13 HB3 LYS 2 HB3 LYS 2 1.519 2.402 -5.135 14 HG2 LYS 2 HG2 LYS 2 0.165 1.732 -7.110 15 HG3 LYS 2 HG3 LYS 2 -1.205 1.379 -6.035 16 HD2 LYS 2 HD2 LYS 2 -0.892 3.866 -5.205 17 HD3 LYS 2 HD3 LYS 2 0.159 4.051 -6.595 18 HE2 LYS 2 HE2 LYS 2 -1.923 4.800 -7.381 19 HE3 LYS 2 HE3 LYS 2 -1.761 3.154 -8.018 20 HZ1 LYS 2 HZ1 LYS 2 -3.869 3.129 -7.150 21 HZ2 LYS 2 HZ2 LYS 2 -3.530 4.156 -5.927 22 HZ3 LYS 2 HZ3 LYS 2 -3.052 2.598 -5.806 23 H ASN 3 H ASN 3 1.008 -1.639 -6.588 24 HA ASN 3 HA ASN 3 3.593 -1.578 -7.823 25 HB2 ASN 3 HB2 ASN 3 2.417 -3.046 -9.546 26 HB3 ASN 3 HB3 ASN 3 2.605 -3.680 -7.940 27 HD21 ASN 3 HD21 ASN 3 0.345 -3.469 -10.492 28 HD22 ASN 3 HD22 ASN 3 -1.097 -3.622 -9.510 29 H ALA 4 H ALA 4 3.988 -1.150 -10.007 30 HA ALA 4 HA ALA 4 3.534 1.331 -10.975 31 HB1 ALA 4 HB1 ALA 4 5.279 -0.126 -11.795 32 HB2 ALA 4 HB2 ALA 4 4.083 -1.209 -12.532 33 HB3 ALA 4 HB3 ALA 4 4.299 0.428 -13.172 34 H ALA 5 H ALA 5 1.782 -1.571 -11.942 35 HA ALA 5 HA ALA 5 0.163 -0.542 -13.873 36 HB1 ALA 5 HB1 ALA 5 0.366 -2.956 -13.074 37 HB2 ALA 5 HB2 ALA 5 -0.849 -2.558 -11.835 38 HB3 ALA 5 HB3 ALA 5 -1.271 -2.433 -13.532 39 H GLN 6 H GLN 6 -0.487 -0.508 -10.345 40 HA GLN 6 HA GLN 6 -3.107 0.671 -10.552 41 HB2 GLN 6 HB2 GLN 6 -1.072 0.377 -8.318 42 HB3 GLN 6 HB3 GLN 6 -2.573 1.275 -8.095 43 HG2 GLN 6 HG2 GLN 6 -3.882 -0.688 -8.654 44 HG3 GLN 6 HG3 GLN 6 -2.396 -1.641 -8.835 45 HE21 GLN 6 HE21 GLN 6 -1.008 -1.809 -6.874 46 HE22 GLN 6 HE22 GLN 6 -1.653 -1.561 -5.262 47 H ILE 7 H ILE 7 0.219 1.952 -10.324 48 HA ILE 7 HA ILE 7 -0.567 4.656 -9.772 49 HB ILE 7 HB ILE 7 2.009 3.863 -11.203 50 HG12 ILE 7 HG12 ILE 7 1.184 3.303 -8.381 51 HG13 ILE 7 HG13 ILE 7 2.207 2.395 -9.469 52 HG21 ILE 7 HG21 ILE 7 2.812 5.915 -10.096 53 HG22 ILE 7 HG22 ILE 7 1.338 6.270 -10.991 54 HG23 ILE 7 HG23 ILE 7 1.267 6.067 -9.228 55 HD11 ILE 7 HD11 ILE 7 4.048 3.967 -9.121 56 HD12 ILE 7 HD12 ILE 7 3.043 4.915 -7.985 57 HD13 ILE 7 HD13 ILE 7 3.484 3.262 -7.585 58 H VAL 8 H VAL 8 0.241 2.877 -12.791 59 HA VAL 8 HA VAL 8 -0.270 5.080 -14.526 60 HB VAL 8 HB VAL 8 -0.383 2.089 -15.080 61 HG11 VAL 8 HG11 VAL 8 -1.656 3.251 -16.820 62 HG12 VAL 8 HG12 VAL 8 -0.290 4.334 -17.130 63 HG13 VAL 8 HG13 VAL 8 -0.150 2.592 -17.455 64 HG21 VAL 8 HG21 VAL 8 1.797 4.129 -15.363 65 HG22 VAL 8 HG22 VAL 8 1.800 2.643 -14.411 66 HG23 VAL 8 HG23 VAL 8 1.837 2.537 -16.167 67 H ASP 9 H ASP 9 -2.476 2.553 -13.236 68 HA ASP 9 HA ASP 9 -4.765 3.319 -14.694 69 HB2 ASP 9 HB2 ASP 9 -4.171 1.544 -12.489 70 HB3 ASP 9 HB3 ASP 9 -5.559 2.523 -12.044 71 H GLU 10 H GLU 10 -3.359 4.724 -11.737 72 HA GLU 10 HA GLU 10 -5.646 6.415 -11.157 73 HB2 GLU 10 HB2 GLU 10 -2.788 6.155 -10.187 74 HB3 GLU 10 HB3 GLU 10 -3.570 7.705 -9.932 75 HG2 GLU 10 HG2 GLU 10 -4.853 5.097 -9.061 76 HG3 GLU 10 HG3 GLU 10 -3.702 5.977 -8.054 77 H ALA 11 H ALA 11 -2.721 6.727 -13.139 78 HA ALA 11 HA ALA 11 -3.092 9.575 -13.583 79 HB1 ALA 11 HB1 ALA 11 -1.180 9.390 -14.950 80 HB2 ALA 11 HB2 ALA 11 -0.946 8.112 -13.763 81 HB3 ALA 11 HB3 ALA 11 -1.543 7.702 -15.389 82 H LEU 12 H LEU 12 -3.940 6.591 -15.293 83 HA LEU 12 HA LEU 12 -4.987 7.540 -17.709 84 HB2 LEU 12 HB2 LEU 12 -4.713 5.185 -17.300 85 HB3 LEU 12 HB3 LEU 12 -5.734 5.254 -15.877 86 HG LEU 12 HG LEU 12 -7.712 5.734 -17.239 87 HD11 LEU 12 HD11 LEU 12 -7.611 5.320 -19.698 88 HD12 LEU 12 HD12 LEU 12 -5.844 5.197 -19.615 89 HD13 LEU 12 HD13 LEU 12 -6.661 6.739 -19.265 90 HD21 LEU 12 HD21 LEU 12 -7.928 3.442 -18.108 91 HD22 LEU 12 HD22 LEU 12 -7.113 3.461 -16.538 92 HD23 LEU 12 HD23 LEU 12 -6.163 3.236 -18.015 93 H ASN 13 H ASN 13 -6.493 7.398 -14.542 94 HA ASN 13 HA ASN 13 -9.134 8.066 -15.001 95 HB2 ASN 13 HB2 ASN 13 -7.703 7.570 -12.810 96 HB3 ASN 13 HB3 ASN 13 -7.546 9.315 -12.736 97 HD21 ASN 13 HD21 ASN 13 -9.654 6.602 -12.351 98 HD22 ASN 13 HD22 ASN 13 -11.048 7.497 -11.727 99 H GLN 14 H GLN 14 -6.314 10.188 -14.986 100 HA GLN 14 HA GLN 14 -7.939 12.647 -15.191 101 HB2 GLN 14 HB2 GLN 14 -4.921 12.484 -15.087 102 HB3 GLN 14 HB3 GLN 14 -5.999 13.798 -14.616 103 HG2 GLN 14 HG2 GLN 14 -6.809 12.021 -12.812 104 HG3 GLN 14 HG3 GLN 14 -5.311 11.213 -13.203 105 HE21 GLN 14 HE21 GLN 14 -4.826 11.596 -10.937 106 HE22 GLN 14 HE22 GLN 14 -3.891 13.041 -10.545 107 H GLY 15 H GLY 15 -6.870 10.383 -17.355 108 HA2 GLY 15 HA2 GLY 15 -6.873 10.504 -19.647 109 HA3 GLY 15 HA3 GLY 15 -6.944 12.268 -19.576 110 H ILE 16 H ILE 16 -4.419 10.142 -18.036 111 HA ILE 16 HA ILE 16 -2.454 11.029 -20.030 112 HB ILE 16 HB ILE 16 -2.149 12.657 -18.427 113 HG12 ILE 16 HG12 ILE 16 -0.120 11.392 -19.177 114 HG13 ILE 16 HG13 ILE 16 0.013 12.612 -17.935 115 HG21 ILE 16 HG21 ILE 16 -3.464 11.983 -16.559 116 HG22 ILE 16 HG22 ILE 16 -2.302 10.716 -16.173 117 HG23 ILE 16 HG23 ILE 16 -1.839 12.418 -16.030 118 HD11 ILE 16 HD11 ILE 16 1.346 10.590 -17.557 119 HD12 ILE 16 HD12 ILE 16 0.265 10.985 -16.210 120 HD13 ILE 16 HD13 ILE 16 -0.150 9.659 -17.328 121 H THR 17 H THR 17 -0.707 9.579 -20.283 122 HA THR 17 HA THR 17 -1.024 6.871 -19.119 123 HB THR 17 HB THR 17 -0.333 7.670 -21.999 124 HG1 THR 17 HG1 THR 17 -2.304 7.634 -22.481 125 HG21 THR 17 HG21 THR 17 -0.850 5.267 -22.492 126 HG22 THR 17 HG22 THR 17 -1.009 4.980 -20.751 127 HG23 THR 17 HG23 THR 17 0.559 5.469 -21.436 128 H LEU 18 H LEU 18 1.001 5.645 -19.098 129 HA LEU 18 HA LEU 18 3.395 7.401 -18.938 130 HB2 LEU 18 HB2 LEU 18 2.705 5.014 -17.094 131 HB3 LEU 18 HB3 LEU 18 4.196 5.944 -17.162 132 HG LEU 18 HG LEU 18 3.001 6.661 -15.291 133 HD11 LEU 18 HD11 LEU 18 4.182 8.432 -16.541 134 HD12 LEU 18 HD12 LEU 18 2.768 9.039 -15.639 135 HD13 LEU 18 HD13 LEU 18 2.634 8.812 -17.371 136 HD21 LEU 18 HD21 LEU 18 0.703 6.009 -16.145 137 HD22 LEU 18 HD22 LEU 18 0.625 7.611 -16.870 138 HD23 LEU 18 HD23 LEU 18 0.856 7.439 -15.119 139 H PHE 19 H PHE 19 5.146 6.758 -20.043 140 HA PHE 19 HA PHE 19 5.364 3.958 -21.012 141 HB2 PHE 19 HB2 PHE 19 5.403 6.375 -22.823 142 HB3 PHE 19 HB3 PHE 19 6.037 4.821 -23.294 143 HD1 PHE 19 HD1 PHE 19 3.074 6.849 -23.077 144 HD2 PHE 19 HD2 PHE 19 4.539 2.808 -23.466 145 HE1 PHE 19 HE1 PHE 19 0.887 6.131 -24.022 146 HE2 PHE 19 HE2 PHE 19 2.349 2.090 -24.353 147 HZ PHE 19 HZ PHE 19 0.514 3.738 -24.626 148 H VAL 20 H VAL 20 7.558 3.659 -22.210 149 HA VAL 20 HA VAL 20 9.717 5.213 -20.894 150 HB VAL 20 HB VAL 20 9.282 2.214 -20.909 151 HG11 VAL 20 HG11 VAL 20 12.074 3.504 -20.782 152 HG12 VAL 20 HG12 VAL 20 11.651 1.808 -20.432 153 HG13 VAL 20 HG13 VAL 20 11.496 2.412 -22.063 154 HG21 VAL 20 HG21 VAL 20 10.664 4.080 -18.994 155 HG22 VAL 20 HG22 VAL 20 8.934 3.726 -18.932 156 HG23 VAL 20 HG23 VAL 20 10.103 2.406 -18.700 157 H ALA 21 H ALA 21 11.411 5.676 -21.996 158 HA ALA 21 HA ALA 21 12.364 4.584 -24.477 159 HB1 ALA 21 HB1 ALA 21 12.087 6.775 -25.691 160 HB2 ALA 21 HB2 ALA 21 10.535 5.953 -25.424 161 HB3 ALA 21 HB3 ALA 21 10.995 7.317 -24.392 162 H ASP 22 H ASP 22 14.502 5.679 -24.837 163 HA ASP 22 HA ASP 22 16.477 6.501 -24.073 164 HB2 ASP 22 HB2 ASP 22 14.552 8.463 -24.188 165 HB3 ASP 22 HB3 ASP 22 15.133 8.716 -22.574 166 H ASN 23 H ASN 23 15.177 4.523 -22.288 167 HA ASN 23 HA ASN 23 15.355 3.590 -20.304 168 HB2 ASN 23 HB2 ASN 23 17.776 3.752 -20.895 169 HB3 ASN 23 HB3 ASN 23 17.871 5.304 -20.074 170 HD21 ASN 23 HD21 ASN 23 17.016 1.823 -19.387 171 HD22 ASN 23 HD22 ASN 23 17.693 1.881 -17.798 172 H ARG 24 H ARG 24 13.970 6.334 -20.477 173 HA ARG 24 HA ARG 24 13.936 6.953 -17.555 174 HB2 ARG 24 HB2 ARG 24 13.789 9.254 -18.001 175 HB3 ARG 24 HB3 ARG 24 14.996 8.674 -19.148 176 HG2 ARG 24 HG2 ARG 24 13.105 8.579 -20.860 177 HG3 ARG 24 HG3 ARG 24 12.130 9.495 -19.699 178 HD2 ARG 24 HD2 ARG 24 13.889 11.266 -19.753 179 HD3 ARG 24 HD3 ARG 24 14.750 10.309 -20.988 180 HE ARG 24 HE ARG 24 12.464 10.471 -22.230 181 HH11 ARG 24 HH11 ARG 24 14.255 13.112 -20.770 182 HH12 ARG 24 HH12 ARG 24 13.348 14.358 -21.572 183 HH21 ARG 24 HH21 ARG 24 11.200 12.085 -23.274 184 HH22 ARG 24 HH22 ARG 24 11.474 13.736 -22.953 185 H LEU 25 H LEU 25 12.003 7.937 -16.785 186 HA LEU 25 HA LEU 25 9.606 6.523 -17.691 187 HB2 LEU 25 HB2 LEU 25 10.214 6.875 -15.231 188 HB3 LEU 25 HB3 LEU 25 10.151 8.596 -15.475 189 HG LEU 25 HG LEU 25 8.230 7.484 -14.276 190 HD11 LEU 25 HD11 LEU 25 6.552 8.975 -15.032 191 HD12 LEU 25 HD12 LEU 25 7.319 9.189 -16.605 192 HD13 LEU 25 HD13 LEU 25 8.108 9.809 -15.136 193 HD21 LEU 25 HD21 LEU 25 6.430 6.477 -15.495 194 HD22 LEU 25 HD22 LEU 25 7.917 5.564 -15.798 195 HD23 LEU 25 HD23 LEU 25 7.269 6.672 -17.037 196 H GLN 26 H GLN 26 8.037 7.508 -19.001 197 HA GLN 26 HA GLN 26 8.114 10.438 -19.392 198 HB2 GLN 26 HB2 GLN 26 8.169 8.248 -21.494 199 HB3 GLN 26 HB3 GLN 26 7.388 9.780 -21.818 200 HG2 GLN 26 HG2 GLN 26 9.241 10.801 -22.283 201 HG3 GLN 26 HG3 GLN 26 9.935 10.456 -20.709 202 HE21 GLN 26 HE21 GLN 26 10.089 7.486 -21.126 203 HE22 GLN 26 HE22 GLN 26 11.513 7.435 -22.149 204 H TYR 27 H TYR 27 6.030 11.011 -20.581 205 HA TYR 27 HA TYR 27 3.747 9.417 -19.782 206 HB2 TYR 27 HB2 TYR 27 2.886 11.848 -18.931 207 HB3 TYR 27 HB3 TYR 27 3.598 10.616 -17.894 208 HD1 TYR 27 HD1 TYR 27 5.540 10.969 -16.656 209 HD2 TYR 27 HD2 TYR 27 4.540 13.697 -19.854 210 HE1 TYR 27 HE1 TYR 27 7.504 12.352 -16.080 211 HE2 TYR 27 HE2 TYR 27 6.498 15.103 -19.254 212 HH TYR 27 HH TYR 27 8.749 14.163 -16.632 213 H GLU 28 H GLU 28 1.950 9.962 -20.959 214 HA GLU 28 HA GLU 28 2.248 11.884 -23.195 215 HB2 GLU 28 HB2 GLU 28 2.851 9.853 -24.228 216 HB3 GLU 28 HB3 GLU 28 1.724 8.915 -23.258 217 HG2 GLU 28 HG2 GLU 28 0.926 8.977 -25.499 218 HG3 GLU 28 HG3 GLU 28 -0.182 9.842 -24.448 219 H THR 29 H THR 29 0.566 13.183 -23.194 220 HA THR 29 HA THR 29 -2.107 12.306 -22.502 221 HB THR 29 HB THR 29 -1.151 12.990 -20.330 222 HG1 THR 29 HG1 THR 29 -3.320 13.365 -20.562 223 HG21 THR 29 HG21 THR 29 -0.636 15.324 -19.806 224 HG22 THR 29 HG22 THR 29 -0.807 15.776 -21.503 225 HG23 THR 29 HG23 THR 29 0.505 14.681 -21.000 226 H SER 30 H SER 30 -3.659 13.938 -23.119 227 HA SER 30 HA SER 30 -2.750 15.647 -25.366 228 HB2 SER 30 HB2 SER 30 -4.291 13.691 -25.782 229 HB3 SER 30 HB3 SER 30 -5.485 14.490 -24.742 230 HG SER 30 HG SER 30 -4.307 15.712 -27.017 231 H ARG 31 H ARG 31 -3.420 15.885 -22.114 232 HA ARG 31 HA ARG 31 -5.339 17.977 -21.914 233 HB2 ARG 31 HB2 ARG 31 -2.947 17.177 -20.207 234 HB3 ARG 31 HB3 ARG 31 -4.115 18.405 -19.736 235 HG2 ARG 31 HG2 ARG 31 -5.925 16.810 -19.597 236 HG3 ARG 31 HG3 ARG 31 -4.935 15.541 -20.323 237 HD2 ARG 31 HD2 ARG 31 -4.908 15.111 -17.992 238 HD3 ARG 31 HD3 ARG 31 -3.327 15.753 -18.383 239 HE ARG 31 HE ARG 31 -3.978 17.905 -17.449 240 HH11 ARG 31 HH11 ARG 31 -6.448 15.365 -16.721 241 HH12 ARG 31 HH12 ARG 31 -7.039 16.305 -15.371 242 HH21 ARG 31 HH21 ARG 31 -4.676 18.847 -15.438 243 HH22 ARG 31 HH22 ARG 31 -5.986 18.064 -14.588 244 H ASP 32 H ASP 32 -4.827 20.208 -21.264 245 HA ASP 32 HA ASP 32 -3.227 21.518 -23.210 246 HB2 ASP 32 HB2 ASP 32 -4.000 23.487 -22.254 247 HB3 ASP 32 HB3 ASP 32 -5.300 22.347 -21.917 248 H ASN 33 H ASN 33 -2.529 20.372 -19.975 249 HA ASN 33 HA ASN 33 0.330 20.802 -20.113 250 HB2 ASN 33 HB2 ASN 33 -1.493 22.259 -18.102 251 HB3 ASN 33 HB3 ASN 33 0.220 22.011 -17.836 252 HD21 ASN 33 HD21 ASN 33 -2.119 24.157 -19.326 253 HD22 ASN 33 HD22 ASN 33 -0.848 25.265 -19.803 254 H ILE 34 H ILE 34 1.097 19.963 -17.720 255 HA ILE 34 HA ILE 34 -0.764 17.978 -16.673 256 HB ILE 34 HB ILE 34 0.864 16.819 -18.135 257 HG12 ILE 34 HG12 ILE 34 1.886 15.358 -16.198 258 HG13 ILE 34 HG13 ILE 34 0.960 16.387 -15.100 259 HG21 ILE 34 HG21 ILE 34 3.016 17.808 -16.255 260 HG22 ILE 34 HG22 ILE 34 3.219 16.724 -17.651 261 HG23 ILE 34 HG23 ILE 34 2.766 18.417 -17.905 262 HD11 ILE 34 HD11 ILE 34 -0.305 14.338 -15.773 263 HD12 ILE 34 HD12 ILE 34 -1.115 15.800 -16.405 264 HD13 ILE 34 HD13 ILE 34 -0.138 14.801 -17.490 265 HA PRO 35 HA PRO 35 0.381 20.639 -13.279 266 HB2 PRO 35 HB2 PRO 35 -0.514 18.999 -11.210 267 HB3 PRO 35 HB3 PRO 35 -1.554 20.169 -12.120 268 HG2 PRO 35 HG2 PRO 35 -1.218 17.232 -12.262 269 HG3 PRO 35 HG3 PRO 35 -2.696 18.173 -12.602 270 HD2 PRO 35 HD2 PRO 35 -1.044 17.036 -14.509 271 HD3 PRO 35 HD3 PRO 35 -2.061 18.454 -14.838 272 H GLU 36 H GLU 36 1.980 20.716 -11.596 273 HA GLU 36 HA GLU 36 4.155 18.910 -11.984 274 HB2 GLU 36 HB2 GLU 36 5.226 20.032 -10.139 275 HB3 GLU 36 HB3 GLU 36 4.416 21.219 -11.204 276 HG2 GLU 36 HG2 GLU 36 2.418 20.980 -9.496 277 HG3 GLU 36 HG3 GLU 36 3.614 20.238 -8.439 278 H GLU 37 H GLU 37 1.449 18.850 -9.656 279 HA GLU 37 HA GLU 37 2.738 17.051 -7.822 280 HB2 GLU 37 HB2 GLU 37 0.407 16.321 -7.203 281 HB3 GLU 37 HB3 GLU 37 0.803 18.018 -6.963 282 HG2 GLU 37 HG2 GLU 37 -0.412 17.480 -9.629 283 HG3 GLU 37 HG3 GLU 37 -1.445 17.027 -8.289 284 H LEU 38 H LEU 38 0.860 16.470 -10.819 285 HA LEU 38 HA LEU 38 0.780 13.623 -10.651 286 HB2 LEU 38 HB2 LEU 38 0.558 15.739 -12.807 287 HB3 LEU 38 HB3 LEU 38 0.791 14.101 -13.326 288 HG LEU 38 HG LEU 38 -1.601 15.117 -13.127 289 HD11 LEU 38 HD11 LEU 38 -0.974 12.780 -13.739 290 HD12 LEU 38 HD12 LEU 38 -2.481 12.864 -12.837 291 HD13 LEU 38 HD13 LEU 38 -0.991 12.385 -11.997 292 HD21 LEU 38 HD21 LEU 38 -2.801 14.788 -11.071 293 HD22 LEU 38 HD22 LEU 38 -1.408 15.767 -10.672 294 HD23 LEU 38 HD23 LEU 38 -1.405 14.045 -10.274 295 H LEU 39 H LEU 39 3.037 15.921 -12.174 296 HA LEU 39 HA LEU 39 4.800 13.951 -13.240 297 HB2 LEU 39 HB2 LEU 39 5.280 16.817 -12.298 298 HB3 LEU 39 HB3 LEU 39 6.524 15.862 -13.082 299 HG LEU 39 HG LEU 39 3.829 16.419 -14.405 300 HD11 LEU 39 HD11 LEU 39 4.795 18.581 -14.057 301 HD12 LEU 39 HD12 LEU 39 5.211 18.146 -15.715 302 HD13 LEU 39 HD13 LEU 39 6.425 17.982 -14.426 303 HD21 LEU 39 HD21 LEU 39 5.148 14.511 -15.325 304 HD22 LEU 39 HD22 LEU 39 6.553 15.582 -15.487 305 HD23 LEU 39 HD23 LEU 39 5.101 15.866 -16.461 306 H ASN 40 H ASN 40 4.938 15.773 -10.205 307 HA ASN 40 HA ASN 40 7.221 14.573 -9.087 308 HB2 ASN 40 HB2 ASN 40 4.845 16.076 -7.969 309 HB3 ASN 40 HB3 ASN 40 5.942 15.264 -6.863 310 HD21 ASN 40 HD21 ASN 40 5.484 17.987 -8.867 311 HD22 ASN 40 HD22 ASN 40 6.862 18.872 -8.252 312 H GLU 41 H GLU 41 3.830 13.490 -8.938 313 HA GLU 41 HA GLU 41 4.202 11.429 -6.996 314 HB2 GLU 41 HB2 GLU 41 2.179 12.214 -9.035 315 HB3 GLU 41 HB3 GLU 41 2.092 10.579 -8.392 316 HG2 GLU 41 HG2 GLU 41 2.226 11.698 -6.058 317 HG3 GLU 41 HG3 GLU 41 1.726 13.171 -6.877 318 H TRP 42 H TRP 42 3.883 11.266 -10.600 319 HA TRP 42 HA TRP 42 4.573 8.516 -10.714 320 HB2 TRP 42 HB2 TRP 42 4.959 10.580 -12.884 321 HB3 TRP 42 HB3 TRP 42 4.747 8.844 -13.073 322 HD1 TRP 42 HD1 TRP 42 2.932 11.035 -14.470 323 HE1 TRP 42 HE1 TRP 42 0.417 11.081 -14.150 324 HE3 TRP 42 HE3 TRP 42 2.571 8.532 -9.962 325 HZ2 TRP 42 HZ2 TRP 42 -1.507 10.244 -12.192 326 HZ3 TRP 42 HZ3 TRP 42 0.390 8.310 -8.871 327 HH2 TRP 42 HH2 TRP 42 -1.663 9.139 -9.969 328 H LYS 43 H LYS 43 6.642 11.415 -10.840 329 HA LYS 43 HA LYS 43 9.053 10.042 -11.481 330 HB2 LYS 43 HB2 LYS 43 8.441 12.668 -10.113 331 HB3 LYS 43 HB3 LYS 43 10.090 12.140 -10.389 332 HG2 LYS 43 HG2 LYS 43 9.823 12.107 -12.781 333 HG3 LYS 43 HG3 LYS 43 8.083 12.189 -12.677 334 HD2 LYS 43 HD2 LYS 43 8.640 14.346 -13.316 335 HD3 LYS 43 HD3 LYS 43 8.358 14.496 -11.580 336 HE2 LYS 43 HE2 LYS 43 10.843 14.299 -11.220 337 HE3 LYS 43 HE3 LYS 43 11.057 14.323 -12.980 338 HZ1 LYS 43 HZ1 LYS 43 9.929 16.489 -12.982 339 HZ2 LYS 43 HZ2 LYS 43 11.287 16.531 -12.058 340 HZ3 LYS 43 HZ3 LYS 43 9.807 16.439 -11.338 341 H TYR 44 H TYR 44 7.304 10.478 -8.416 342 HA TYR 44 HA TYR 44 9.454 9.791 -6.705 343 HB2 TYR 44 HB2 TYR 44 7.284 10.877 -6.026 344 HB3 TYR 44 HB3 TYR 44 6.503 9.318 -6.202 345 HD1 TYR 44 HD1 TYR 44 9.871 10.064 -4.618 346 HD2 TYR 44 HD2 TYR 44 5.744 8.962 -4.017 347 HE1 TYR 44 HE1 TYR 44 10.340 9.619 -2.266 348 HE2 TYR 44 HE2 TYR 44 6.207 8.480 -1.648 349 HH TYR 44 HH TYR 44 9.453 9.108 -0.209 350 H TYR 45 H TYR 45 7.409 7.761 -8.732 351 HA TYR 45 HA TYR 45 8.695 5.293 -7.687 352 HB2 TYR 45 HB2 TYR 45 5.885 5.736 -8.806 353 HB3 TYR 45 HB3 TYR 45 6.585 4.185 -8.409 354 HD1 TYR 45 HD1 TYR 45 7.029 3.460 -6.104 355 HD2 TYR 45 HD2 TYR 45 5.045 7.201 -6.969 356 HE1 TYR 45 HE1 TYR 45 6.314 3.621 -3.745 357 HE2 TYR 45 HE2 TYR 45 4.313 7.348 -4.610 358 HH TYR 45 HH TYR 45 4.776 4.799 -2.254 359 H ARG 46 H ARG 46 9.541 7.313 -9.908 360 HA ARG 46 HA ARG 46 8.808 6.402 -12.344 361 HB2 ARG 46 HB2 ARG 46 10.366 7.722 -13.256 362 HB3 ARG 46 HB3 ARG 46 10.312 8.420 -11.681 363 HG2 ARG 46 HG2 ARG 46 12.433 6.413 -12.541 364 HG3 ARG 46 HG3 ARG 46 12.558 8.147 -12.762 365 HD2 ARG 46 HD2 ARG 46 12.647 8.630 -10.534 366 HD3 ARG 46 HD3 ARG 46 11.857 7.128 -10.028 367 HE ARG 46 HE ARG 46 14.541 6.897 -11.250 368 HH11 ARG 46 HH11 ARG 46 12.680 6.980 -8.214 369 HH12 ARG 46 HH12 ARG 46 13.696 5.865 -7.389 370 HH21 ARG 46 HH21 ARG 46 15.931 5.319 -10.077 371 HH22 ARG 46 HH22 ARG 46 15.372 4.813 -8.525 372 H GLN 47 H GLN 47 11.508 4.872 -10.449 373 HA GLN 47 HA GLN 47 12.087 3.152 -12.696 374 HB2 GLN 47 HB2 GLN 47 13.586 3.870 -10.616 375 HB3 GLN 47 HB3 GLN 47 12.962 2.362 -9.954 376 HG2 GLN 47 HG2 GLN 47 14.409 2.729 -12.620 377 HG3 GLN 47 HG3 GLN 47 15.130 2.088 -11.141 378 HE21 GLN 47 HE21 GLN 47 13.959 1.107 -14.108 379 HE22 GLN 47 HE22 GLN 47 13.282 -0.445 -13.624 380 H ASP 48 H ASP 48 10.039 2.968 -9.777 381 HA ASP 48 HA ASP 48 9.368 0.204 -9.906 382 HB2 ASP 48 HB2 ASP 48 8.699 2.428 -8.331 383 HB3 ASP 48 HB3 ASP 48 7.202 2.114 -9.182 384 H LEU 49 H LEU 49 7.992 3.063 -11.435 385 HA LEU 49 HA LEU 49 5.988 1.776 -13.003 386 HB2 LEU 49 HB2 LEU 49 7.355 4.488 -13.113 387 HB3 LEU 49 HB3 LEU 49 6.500 3.927 -14.513 388 HG LEU 49 HG LEU 49 4.793 3.562 -12.175 389 HD11 LEU 49 HD11 LEU 49 4.402 5.997 -11.753 390 HD12 LEU 49 HD12 LEU 49 5.830 6.388 -12.732 391 HD13 LEU 49 HD13 LEU 49 5.998 5.484 -11.213 392 HD21 LEU 49 HD21 LEU 49 4.540 5.212 -14.664 393 HD22 LEU 49 HD22 LEU 49 3.250 4.853 -13.481 394 HD23 LEU 49 HD23 LEU 49 3.998 3.535 -14.396 395 H ILE 50 H ILE 50 9.153 3.120 -14.061 396 HA ILE 50 HA ILE 50 9.265 2.191 -16.625 397 HB ILE 50 HB ILE 50 11.487 2.415 -14.574 398 HG12 ILE 50 HG12 ILE 50 11.268 4.193 -16.995 399 HG13 ILE 50 HG13 ILE 50 10.176 4.489 -15.668 400 HG21 ILE 50 HG21 ILE 50 13.114 2.412 -16.551 401 HG22 ILE 50 HG22 ILE 50 12.403 0.854 -16.134 402 HG23 ILE 50 HG23 ILE 50 11.776 1.750 -17.512 403 HD11 ILE 50 HD11 ILE 50 13.240 4.416 -15.550 404 HD12 ILE 50 HD12 ILE 50 12.231 5.867 -15.467 405 HD13 ILE 50 HD13 ILE 50 12.208 4.703 -14.151 406 H ASP 51 H ASP 51 10.274 0.234 -13.788 407 HA ASP 51 HA ASP 51 11.292 -1.937 -15.123 408 HB2 ASP 51 HB2 ASP 51 11.067 -1.333 -12.599 409 HB3 ASP 51 HB3 ASP 51 9.505 -2.144 -12.645 410 H PHE 52 H PHE 52 7.904 -1.192 -14.495 411 HA PHE 52 HA PHE 52 6.896 -3.646 -15.819 412 HB2 PHE 52 HB2 PHE 52 5.731 -1.283 -14.322 413 HB3 PHE 52 HB3 PHE 52 4.721 -2.077 -15.499 414 HD1 PHE 52 HD1 PHE 52 7.084 -3.302 -12.792 415 HD2 PHE 52 HD2 PHE 52 3.168 -3.509 -14.615 416 HE1 PHE 52 HE1 PHE 52 6.369 -4.953 -11.098 417 HE2 PHE 52 HE2 PHE 52 2.449 -5.125 -12.910 418 HZ PHE 52 HZ PHE 52 4.047 -5.859 -11.120 419 H LEU 53 H LEU 53 7.236 -0.138 -16.449 420 HA LEU 53 HA LEU 53 5.579 0.008 -18.745 421 HB2 LEU 53 HB2 LEU 53 8.053 1.641 -18.200 422 HB3 LEU 53 HB3 LEU 53 6.839 2.030 -19.378 423 HG LEU 53 HG LEU 53 6.789 2.396 -16.456 424 HD11 LEU 53 HD11 LEU 53 5.561 3.945 -18.654 425 HD12 LEU 53 HD12 LEU 53 7.158 4.250 -17.937 426 HD13 LEU 53 HD13 LEU 53 5.709 4.427 -16.951 427 HD21 LEU 53 HD21 LEU 53 4.242 1.820 -17.992 428 HD22 LEU 53 HD22 LEU 53 4.313 2.605 -16.403 429 HD23 LEU 53 HD23 LEU 53 4.872 0.948 -16.560 430 H GLN 54 H GLN 54 8.974 -0.867 -18.481 431 HA GLN 54 HA GLN 54 9.611 -0.903 -21.245 432 HB2 GLN 54 HB2 GLN 54 10.559 -2.910 -19.169 433 HB3 GLN 54 HB3 GLN 54 11.364 -2.503 -20.678 434 HG2 GLN 54 HG2 GLN 54 11.054 -0.095 -19.100 435 HG3 GLN 54 HG3 GLN 54 11.560 -1.361 -18.034 436 HE21 GLN 54 HE21 GLN 54 12.984 1.075 -19.068 437 HE22 GLN 54 HE22 GLN 54 14.517 0.427 -19.683 438 H GLN 55 H GLN 55 8.005 -3.230 -19.186 439 HA GLN 55 HA GLN 55 7.808 -5.405 -21.123 440 HB2 GLN 55 HB2 GLN 55 6.185 -5.069 -18.566 441 HB3 GLN 55 HB3 GLN 55 6.538 -6.539 -19.458 442 HG2 GLN 55 HG2 GLN 55 8.914 -6.375 -18.830 443 HG3 GLN 55 HG3 GLN 55 8.594 -4.864 -17.968 444 HE21 GLN 55 HE21 GLN 55 9.057 -5.483 -15.851 445 HE22 GLN 55 HE22 GLN 55 8.374 -6.878 -15.060 446 H LEU 56 H LEU 56 5.760 -2.708 -20.039 447 HA LEU 56 HA LEU 56 3.264 -3.608 -21.118 448 HB2 LEU 56 HB2 LEU 56 4.328 -1.079 -20.025 449 HB3 LEU 56 HB3 LEU 56 3.142 -0.869 -21.300 450 HG LEU 56 HG LEU 56 1.575 -2.405 -20.092 451 HD11 LEU 56 HD11 LEU 56 1.959 -2.915 -17.715 452 HD12 LEU 56 HD12 LEU 56 3.570 -2.181 -17.789 453 HD13 LEU 56 HD13 LEU 56 3.220 -3.665 -18.698 454 HD21 LEU 56 HD21 LEU 56 0.958 -0.769 -18.359 455 HD22 LEU 56 HD22 LEU 56 1.403 0.024 -19.877 456 HD23 LEU 56 HD23 LEU 56 2.553 0.010 -18.518 457 H ASP 57 H ASP 57 5.789 -1.430 -22.459 458 HA ASP 57 HA ASP 57 4.422 -1.326 -25.061 459 HB2 ASP 57 HB2 ASP 57 5.841 0.490 -23.996 460 HB3 ASP 57 HB3 ASP 57 7.263 -0.454 -24.445 461 H ALA 58 H ALA 58 6.975 -3.177 -23.512 462 HA ALA 58 HA ALA 58 8.161 -4.969 -24.012 463 HB1 ALA 58 HB1 ALA 58 7.159 -6.755 -25.247 464 HB2 ALA 58 HB2 ALA 58 5.851 -5.895 -24.408 465 HB3 ALA 58 HB3 ALA 58 6.125 -5.646 -26.148 466 H LYS 59 H LYS 59 8.450 -2.425 -25.570 467 HA LYS 59 HA LYS 59 10.326 -3.352 -27.662 468 HB2 LYS 59 HB2 LYS 59 8.234 -2.374 -28.645 469 HB3 LYS 59 HB3 LYS 59 8.467 -0.926 -27.668 470 HG2 LYS 59 HG2 LYS 59 9.148 -0.526 -29.951 471 HG3 LYS 59 HG3 LYS 59 10.548 -0.393 -28.904 472 HD2 LYS 59 HD2 LYS 59 11.411 -2.532 -29.659 473 HD3 LYS 59 HD3 LYS 59 9.848 -2.944 -30.420 474 HE2 LYS 59 HE2 LYS 59 10.072 -1.106 -31.989 475 HE3 LYS 59 HE3 LYS 59 11.587 -0.574 -31.245 476 HZ1 LYS 59 HZ1 LYS 59 11.840 -1.852 -33.276 477 HZ2 LYS 59 HZ2 LYS 59 11.199 -3.190 -32.578 478 HZ3 LYS 59 HZ3 LYS 59 12.622 -2.543 -32.002 479 H GLU 60 H GLU 60 12.219 -1.957 -27.809 480 HA GLU 60 HA GLU 60 12.685 0.182 -26.002 481 HB2 GLU 60 HB2 GLU 60 14.624 -1.160 -24.908 482 HB3 GLU 60 HB3 GLU 60 13.005 -1.341 -24.272 483 HG2 GLU 60 HG2 GLU 60 12.738 -3.506 -25.480 484 HG3 GLU 60 HG3 GLU 60 14.419 -3.377 -26.027 485 H GLU 61 H GLU 61 14.943 0.938 -26.325 486 HA GLU 61 HA GLU 61 16.542 -0.191 -28.414 487 HB2 GLU 61 HB2 GLU 61 16.377 1.711 -29.943 488 HB3 GLU 61 HB3 GLU 61 14.824 0.904 -29.794 489 HG2 GLU 61 HG2 GLU 61 13.984 2.703 -28.350 490 HG3 GLU 61 HG3 GLU 61 15.568 3.470 -28.322 491 H THR 62 H THR 62 18.415 1.060 -28.740 492 HA THR 62 HA THR 62 19.315 3.364 -27.590 493 HB THR 62 HB THR 62 19.164 2.199 -25.397 494 HG1 THR 62 HG1 THR 62 21.493 2.584 -24.963 495 HG21 THR 62 HG21 THR 62 21.278 0.292 -26.495 496 HG22 THR 62 HG22 THR 62 19.595 -0.134 -26.089 497 HG23 THR 62 HG23 THR 62 20.706 0.402 -24.817 498 H GLN 63 H GLN 63 21.927 3.089 -27.764 499 HA GLN 63 HA GLN 63 22.511 1.485 -30.212 500 HB2 GLN 63 HB2 GLN 63 22.214 3.614 -31.078 501 HB3 GLN 63 HB3 GLN 63 22.910 4.425 -29.682 502 HG2 GLN 63 HG2 GLN 63 24.366 4.695 -31.527 503 HG3 GLN 63 HG3 GLN 63 25.183 3.671 -30.358 504 HE21 GLN 63 HE21 GLN 63 24.760 1.175 -30.844 505 HE22 GLN 63 HE22 GLN 63 24.587 0.708 -32.518 Start of MODEL 18 1 H1 MET 1 H MET 1 2.785 -3.206 -1.460 2 HA MET 1 HA MET 1 3.289 -0.296 -1.466 3 HB2 MET 1 HB2 MET 1 4.799 -2.480 -2.950 4 HB3 MET 1 HB3 MET 1 4.968 -0.760 -3.289 5 HG2 MET 1 HG2 MET 1 6.822 -1.556 -1.982 6 HG3 MET 1 HG3 MET 1 5.913 -0.359 -1.078 7 HE1 MET 1 HE1 MET 1 7.422 -1.053 0.974 8 HE2 MET 1 HE2 MET 1 7.553 -2.724 1.577 9 HE3 MET 1 HE3 MET 1 8.208 -2.301 -0.019 10 H LYS 2 H LYS 2 2.620 0.831 -3.373 11 HA LYS 2 HA LYS 2 0.398 -0.418 -4.853 12 HB2 LYS 2 HB2 LYS 2 0.445 1.990 -4.063 13 HB3 LYS 2 HB3 LYS 2 1.766 2.255 -5.215 14 HG2 LYS 2 HG2 LYS 2 0.348 1.675 -7.087 15 HG3 LYS 2 HG3 LYS 2 -1.027 1.394 -6.001 16 HD2 LYS 2 HD2 LYS 2 -0.298 3.917 -5.197 17 HD3 LYS 2 HD3 LYS 2 0.361 3.957 -6.799 18 HE2 LYS 2 HE2 LYS 2 -1.768 4.801 -7.139 19 HE3 LYS 2 HE3 LYS 2 -1.979 3.093 -7.575 20 HZ1 LYS 2 HZ1 LYS 2 -3.724 3.776 -6.062 21 HZ2 LYS 2 HZ2 LYS 2 -2.632 4.393 -4.996 22 HZ3 LYS 2 HZ3 LYS 2 -2.734 2.774 -5.204 23 H ASN 3 H ASN 3 0.828 -1.696 -6.526 24 HA ASN 3 HA ASN 3 3.434 -1.955 -7.727 25 HB2 ASN 3 HB2 ASN 3 1.058 -2.861 -9.286 26 HB3 ASN 3 HB3 ASN 3 2.576 -3.686 -8.974 27 HD21 ASN 3 HD21 ASN 3 -0.610 -4.133 -8.550 28 HD22 ASN 3 HD22 ASN 3 -0.669 -4.785 -6.936 29 H ALA 4 H ALA 4 4.039 -1.270 -9.884 30 HA ALA 4 HA ALA 4 3.608 1.266 -10.779 31 HB1 ALA 4 HB1 ALA 4 4.136 -1.204 -12.413 32 HB2 ALA 4 HB2 ALA 4 4.497 0.451 -12.914 33 HB3 ALA 4 HB3 ALA 4 5.358 -0.275 -11.525 34 H ALA 5 H ALA 5 1.869 -1.679 -11.774 35 HA ALA 5 HA ALA 5 0.273 -0.768 -13.797 36 HB1 ALA 5 HB1 ALA 5 -1.171 -2.686 -13.180 37 HB2 ALA 5 HB2 ALA 5 0.537 -3.117 -13.053 38 HB3 ALA 5 HB3 ALA 5 -0.416 -2.739 -11.595 39 H GLN 6 H GLN 6 -0.341 -0.390 -10.273 40 HA GLN 6 HA GLN 6 -3.024 0.688 -10.630 41 HB2 GLN 6 HB2 GLN 6 -0.995 0.561 -8.372 42 HB3 GLN 6 HB3 GLN 6 -2.565 1.378 -8.204 43 HG2 GLN 6 HG2 GLN 6 -3.739 -0.670 -8.588 44 HG3 GLN 6 HG3 GLN 6 -2.232 -1.566 -8.857 45 HE21 GLN 6 HE21 GLN 6 -0.857 -1.901 -7.048 46 HE22 GLN 6 HE22 GLN 6 -1.423 -1.741 -5.375 47 H ILE 7 H ILE 7 0.302 1.964 -10.369 48 HA ILE 7 HA ILE 7 -0.366 4.694 -9.923 49 HB ILE 7 HB ILE 7 2.147 3.707 -11.372 50 HG12 ILE 7 HG12 ILE 7 1.410 3.438 -8.498 51 HG13 ILE 7 HG13 ILE 7 2.111 2.261 -9.557 52 HG21 ILE 7 HG21 ILE 7 3.139 5.704 -10.358 53 HG22 ILE 7 HG22 ILE 7 1.646 6.190 -11.155 54 HG23 ILE 7 HG23 ILE 7 1.679 5.975 -9.385 55 HD11 ILE 7 HD11 ILE 7 4.265 3.552 -9.548 56 HD12 ILE 7 HD12 ILE 7 3.554 4.619 -8.305 57 HD13 ILE 7 HD13 ILE 7 3.788 2.893 -7.970 58 H VAL 8 H VAL 8 0.308 2.820 -12.889 59 HA VAL 8 HA VAL 8 -0.153 5.081 -14.618 60 HB VAL 8 HB VAL 8 -0.325 2.159 -15.380 61 HG11 VAL 8 HG11 VAL 8 0.245 2.933 -17.660 62 HG12 VAL 8 HG12 VAL 8 -1.308 3.567 -17.109 63 HG13 VAL 8 HG13 VAL 8 0.125 4.619 -17.099 64 HG21 VAL 8 HG21 VAL 8 1.817 2.472 -14.437 65 HG22 VAL 8 HG22 VAL 8 2.000 2.429 -16.183 66 HG23 VAL 8 HG23 VAL 8 2.038 3.994 -15.324 67 H ASP 9 H ASP 9 -2.352 2.571 -13.424 68 HA ASP 9 HA ASP 9 -4.611 3.245 -15.034 69 HB2 ASP 9 HB2 ASP 9 -4.199 1.951 -12.325 70 HB3 ASP 9 HB3 ASP 9 -5.817 2.502 -12.756 71 H GLU 10 H GLU 10 -3.571 4.504 -11.869 72 HA GLU 10 HA GLU 10 -5.714 6.316 -11.424 73 HB2 GLU 10 HB2 GLU 10 -2.802 6.114 -10.556 74 HB3 GLU 10 HB3 GLU 10 -3.714 7.528 -10.112 75 HG2 GLU 10 HG2 GLU 10 -4.626 4.674 -9.488 76 HG3 GLU 10 HG3 GLU 10 -3.595 5.612 -8.415 77 H ALA 11 H ALA 11 -2.611 6.695 -13.152 78 HA ALA 11 HA ALA 11 -2.888 9.487 -13.681 79 HB1 ALA 11 HB1 ALA 11 -0.927 9.151 -15.060 80 HB2 ALA 11 HB2 ALA 11 -0.792 7.965 -13.740 81 HB3 ALA 11 HB3 ALA 11 -1.331 7.453 -15.340 82 H LEU 12 H LEU 12 -3.589 6.587 -15.648 83 HA LEU 12 HA LEU 12 -4.338 7.750 -18.036 84 HB2 LEU 12 HB2 LEU 12 -4.085 5.389 -17.847 85 HB3 LEU 12 HB3 LEU 12 -5.325 5.281 -16.593 86 HG LEU 12 HG LEU 12 -7.069 5.924 -18.194 87 HD11 LEU 12 HD11 LEU 12 -4.868 5.703 -20.319 88 HD12 LEU 12 HD12 LEU 12 -5.634 7.218 -19.837 89 HD13 LEU 12 HD13 LEU 12 -6.600 5.974 -20.618 90 HD21 LEU 12 HD21 LEU 12 -7.072 3.790 -19.434 91 HD22 LEU 12 HD22 LEU 12 -6.547 3.571 -17.754 92 HD23 LEU 12 HD23 LEU 12 -5.352 3.565 -19.053 93 H ASN 13 H ASN 13 -6.357 7.281 -15.167 94 HA ASN 13 HA ASN 13 -8.828 8.116 -16.189 95 HB2 ASN 13 HB2 ASN 13 -7.860 7.177 -13.797 96 HB3 ASN 13 HB3 ASN 13 -8.119 8.865 -13.373 97 HD21 ASN 13 HD21 ASN 13 -9.417 6.742 -12.217 98 HD22 ASN 13 HD22 ASN 13 -11.128 6.741 -12.590 99 H GLN 14 H GLN 14 -6.059 10.038 -15.196 100 HA GLN 14 HA GLN 14 -7.570 12.568 -15.216 101 HB2 GLN 14 HB2 GLN 14 -4.568 12.296 -14.851 102 HB3 GLN 14 HB3 GLN 14 -5.651 13.575 -14.294 103 HG2 GLN 14 HG2 GLN 14 -6.741 11.640 -12.919 104 HG3 GLN 14 HG3 GLN 14 -5.270 10.765 -13.289 105 HE21 GLN 14 HE21 GLN 14 -4.207 10.610 -11.457 106 HE22 GLN 14 HE22 GLN 14 -3.667 11.939 -10.452 107 H GLY 15 H GLY 15 -6.549 10.609 -17.593 108 HA2 GLY 15 HA2 GLY 15 -6.437 11.039 -19.854 109 HA3 GLY 15 HA3 GLY 15 -6.315 12.768 -19.539 110 H ILE 16 H ILE 16 -4.039 10.464 -17.936 111 HA ILE 16 HA ILE 16 -1.962 11.164 -19.905 112 HB ILE 16 HB ILE 16 -1.783 12.865 -18.303 113 HG12 ILE 16 HG12 ILE 16 0.267 11.429 -18.934 114 HG13 ILE 16 HG13 ILE 16 0.417 12.737 -17.805 115 HG21 ILE 16 HG21 ILE 16 -2.025 10.898 -16.035 116 HG22 ILE 16 HG22 ILE 16 -1.615 12.610 -15.880 117 HG23 ILE 16 HG23 ILE 16 -3.196 12.136 -16.480 118 HD11 ILE 16 HD11 ILE 16 1.690 10.918 -16.995 119 HD12 ILE 16 HD12 ILE 16 0.307 11.105 -15.925 120 HD13 ILE 16 HD13 ILE 16 0.322 9.797 -17.128 121 H THR 17 H THR 17 -0.785 9.441 -20.472 122 HA THR 17 HA THR 17 -0.858 7.021 -18.671 123 HB THR 17 HB THR 17 -0.454 7.149 -21.704 124 HG1 THR 17 HG1 THR 17 -2.608 5.791 -20.957 125 HG21 THR 17 HG21 THR 17 0.609 5.142 -20.831 126 HG22 THR 17 HG22 THR 17 -0.913 4.673 -21.563 127 HG23 THR 17 HG23 THR 17 -0.802 4.783 -19.799 128 H LEU 18 H LEU 18 1.162 5.717 -18.711 129 HA LEU 18 HA LEU 18 3.536 7.496 -18.817 130 HB2 LEU 18 HB2 LEU 18 2.969 5.180 -16.856 131 HB3 LEU 18 HB3 LEU 18 4.469 6.072 -17.075 132 HG LEU 18 HG LEU 18 3.470 6.908 -15.166 133 HD11 LEU 18 HD11 LEU 18 2.872 8.968 -17.270 134 HD12 LEU 18 HD12 LEU 18 4.513 8.615 -16.663 135 HD13 LEU 18 HD13 LEU 18 3.258 9.258 -15.576 136 HD21 LEU 18 HD21 LEU 18 1.333 7.777 -14.863 137 HD22 LEU 18 HD22 LEU 18 1.156 6.208 -15.653 138 HD23 LEU 18 HD23 LEU 18 0.931 7.683 -16.589 139 H PHE 19 H PHE 19 5.243 6.834 -19.999 140 HA PHE 19 HA PHE 19 5.354 4.075 -21.081 141 HB2 PHE 19 HB2 PHE 19 5.037 6.617 -22.688 142 HB3 PHE 19 HB3 PHE 19 6.026 5.313 -23.324 143 HD1 PHE 19 HD1 PHE 19 2.606 6.416 -22.732 144 HD2 PHE 19 HD2 PHE 19 5.099 3.032 -23.729 145 HE1 PHE 19 HE1 PHE 19 0.620 5.163 -23.524 146 HE2 PHE 19 HE2 PHE 19 3.108 1.775 -24.459 147 HZ PHE 19 HZ PHE 19 0.859 2.831 -24.377 148 H VAL 20 H VAL 20 7.497 3.759 -22.274 149 HA VAL 20 HA VAL 20 9.686 5.301 -20.994 150 HB VAL 20 HB VAL 20 9.092 2.351 -20.906 151 HG11 VAL 20 HG11 VAL 20 11.205 2.269 -22.206 152 HG12 VAL 20 HG12 VAL 20 11.984 3.340 -21.019 153 HG13 VAL 20 HG13 VAL 20 11.415 1.718 -20.563 154 HG21 VAL 20 HG21 VAL 20 10.761 4.123 -19.120 155 HG22 VAL 20 HG22 VAL 20 9.003 4.003 -19.008 156 HG23 VAL 20 HG23 VAL 20 9.993 2.552 -18.745 157 H ALA 21 H ALA 21 11.319 5.787 -22.133 158 HA ALA 21 HA ALA 21 12.167 4.590 -24.648 159 HB1 ALA 21 HB1 ALA 21 12.093 6.916 -25.736 160 HB2 ALA 21 HB2 ALA 21 10.521 6.106 -25.607 161 HB3 ALA 21 HB3 ALA 21 10.962 7.392 -24.460 162 H ASP 22 H ASP 22 14.389 5.495 -25.072 163 HA ASP 22 HA ASP 22 16.456 6.166 -24.307 164 HB2 ASP 22 HB2 ASP 22 14.571 8.318 -24.245 165 HB3 ASP 22 HB3 ASP 22 15.503 8.524 -22.807 166 H ASN 23 H ASN 23 14.988 4.347 -22.498 167 HA ASN 23 HA ASN 23 15.071 3.399 -20.519 168 HB2 ASN 23 HB2 ASN 23 17.499 3.332 -21.166 169 HB3 ASN 23 HB3 ASN 23 17.763 4.788 -20.181 170 HD21 ASN 23 HD21 ASN 23 16.291 1.531 -19.983 171 HD22 ASN 23 HD22 ASN 23 16.786 1.144 -18.363 172 H ARG 24 H ARG 24 13.854 6.143 -20.665 173 HA ARG 24 HA ARG 24 13.873 6.684 -17.737 174 HB2 ARG 24 HB2 ARG 24 14.024 9.002 -18.090 175 HB3 ARG 24 HB3 ARG 24 15.232 8.303 -19.180 176 HG2 ARG 24 HG2 ARG 24 13.540 8.514 -21.032 177 HG3 ARG 24 HG3 ARG 24 12.510 9.435 -19.924 178 HD2 ARG 24 HD2 ARG 24 15.357 10.120 -20.778 179 HD3 ARG 24 HD3 ARG 24 13.862 10.828 -21.424 180 HE ARG 24 HE ARG 24 13.980 11.112 -18.559 181 HH11 ARG 24 HH11 ARG 24 15.274 12.429 -21.609 182 HH12 ARG 24 HH12 ARG 24 15.438 14.043 -20.979 183 HH21 ARG 24 HH21 ARG 24 14.267 13.286 -17.737 184 HH22 ARG 24 HH22 ARG 24 14.799 14.532 -18.829 185 H LEU 25 H LEU 25 12.071 7.781 -16.874 186 HA LEU 25 HA LEU 25 9.582 6.643 -17.802 187 HB2 LEU 25 HB2 LEU 25 10.196 6.978 -15.385 188 HB3 LEU 25 HB3 LEU 25 10.274 8.703 -15.624 189 HG LEU 25 HG LEU 25 8.281 7.757 -14.402 190 HD11 LEU 25 HD11 LEU 25 6.697 9.316 -15.161 191 HD12 LEU 25 HD12 LEU 25 7.451 9.447 -16.755 192 HD13 LEU 25 HD13 LEU 25 8.298 10.054 -15.309 193 HD21 LEU 25 HD21 LEU 25 6.409 6.851 -15.619 194 HD22 LEU 25 HD22 LEU 25 7.844 5.837 -15.827 195 HD23 LEU 25 HD23 LEU 25 7.301 6.911 -17.142 196 H GLN 26 H GLN 26 8.168 7.586 -19.215 197 HA GLN 26 HA GLN 26 8.157 10.521 -19.576 198 HB2 GLN 26 HB2 GLN 26 8.367 8.321 -21.653 199 HB3 GLN 26 HB3 GLN 26 7.547 9.828 -22.046 200 HG2 GLN 26 HG2 GLN 26 9.422 11.031 -22.155 201 HG3 GLN 26 HG3 GLN 26 10.112 10.370 -20.681 202 HE21 GLN 26 HE21 GLN 26 10.623 7.757 -21.121 203 HE22 GLN 26 HE22 GLN 26 11.767 7.711 -22.419 204 H TYR 27 H TYR 27 6.064 11.041 -20.849 205 HA TYR 27 HA TYR 27 3.828 9.395 -19.937 206 HB2 TYR 27 HB2 TYR 27 2.879 11.895 -19.353 207 HB3 TYR 27 HB3 TYR 27 3.517 10.768 -18.190 208 HD1 TYR 27 HD1 TYR 27 5.818 10.995 -17.273 209 HD2 TYR 27 HD2 TYR 27 4.178 13.902 -19.967 210 HE1 TYR 27 HE1 TYR 27 7.637 12.580 -16.683 211 HE2 TYR 27 HE2 TYR 27 5.837 15.572 -19.224 212 HH TYR 27 HH TYR 27 7.475 16.041 -17.602 213 H GLU 28 H GLU 28 1.913 9.862 -21.030 214 HA GLU 28 HA GLU 28 2.109 11.421 -23.542 215 HB2 GLU 28 HB2 GLU 28 2.672 9.070 -23.978 216 HB3 GLU 28 HB3 GLU 28 1.127 8.553 -23.292 217 HG2 GLU 28 HG2 GLU 28 -0.121 9.589 -25.058 218 HG3 GLU 28 HG3 GLU 28 1.260 10.555 -25.581 219 H THR 29 H THR 29 0.712 13.004 -22.940 220 HA THR 29 HA THR 29 -1.989 12.212 -21.986 221 HB THR 29 HB THR 29 -0.648 13.169 -20.186 222 HG1 THR 29 HG1 THR 29 -2.894 13.569 -20.350 223 HG21 THR 29 HG21 THR 29 -0.037 15.527 -20.163 224 HG22 THR 29 HG22 THR 29 -0.466 15.682 -21.882 225 HG23 THR 29 HG23 THR 29 0.870 14.614 -21.380 226 H SER 30 H SER 30 -3.667 13.620 -22.596 227 HA SER 30 HA SER 30 -3.259 14.999 -25.211 228 HB2 SER 30 HB2 SER 30 -4.793 12.894 -24.864 229 HB3 SER 30 HB3 SER 30 -5.859 14.019 -24.022 230 HG SER 30 HG SER 30 -6.466 13.874 -26.122 231 H ARG 31 H ARG 31 -3.448 15.657 -21.965 232 HA ARG 31 HA ARG 31 -5.452 17.719 -21.725 233 HB2 ARG 31 HB2 ARG 31 -2.856 17.153 -20.224 234 HB3 ARG 31 HB3 ARG 31 -4.131 18.227 -19.672 235 HG2 ARG 31 HG2 ARG 31 -5.642 16.395 -19.243 236 HG3 ARG 31 HG3 ARG 31 -4.581 15.235 -20.036 237 HD2 ARG 31 HD2 ARG 31 -4.136 15.061 -17.636 238 HD3 ARG 31 HD3 ARG 31 -2.750 15.835 -18.375 239 HE ARG 31 HE ARG 31 -3.287 17.868 -17.448 240 HH11 ARG 31 HH11 ARG 31 -5.911 15.520 -16.690 241 HH12 ARG 31 HH12 ARG 31 -6.910 16.726 -15.958 242 HH21 ARG 31 HH21 ARG 31 -4.732 19.399 -16.581 243 HH22 ARG 31 HH22 ARG 31 -6.111 18.893 -15.649 244 H ASP 32 H ASP 32 -4.787 20.024 -21.155 245 HA ASP 32 HA ASP 32 -3.140 21.155 -23.254 246 HB2 ASP 32 HB2 ASP 32 -4.584 22.240 -20.832 247 HB3 ASP 32 HB3 ASP 32 -3.293 23.209 -21.548 248 H ASN 33 H ASN 33 -2.524 20.034 -19.969 249 HA ASN 33 HA ASN 33 0.262 20.051 -20.314 250 HB2 ASN 33 HB2 ASN 33 -0.724 22.584 -19.396 251 HB3 ASN 33 HB3 ASN 33 -0.105 21.781 -17.967 252 HD21 ASN 33 HD21 ASN 33 0.699 22.567 -21.350 253 HD22 ASN 33 HD22 ASN 33 2.450 22.677 -21.088 254 H ILE 34 H ILE 34 1.261 19.640 -17.923 255 HA ILE 34 HA ILE 34 -0.611 17.756 -16.613 256 HB ILE 34 HB ILE 34 1.148 16.699 -17.905 257 HG12 ILE 34 HG12 ILE 34 2.126 15.279 -15.961 258 HG13 ILE 34 HG13 ILE 34 1.129 16.271 -14.889 259 HG21 ILE 34 HG21 ILE 34 2.958 18.399 -17.620 260 HG22 ILE 34 HG22 ILE 34 3.149 17.852 -15.938 261 HG23 ILE 34 HG23 ILE 34 3.481 16.745 -17.285 262 HD11 ILE 34 HD11 ILE 34 -0.909 15.542 -16.141 263 HD12 ILE 34 HD12 ILE 34 0.094 14.754 -17.342 264 HD13 ILE 34 HD13 ILE 34 0.055 14.122 -15.677 265 HA PRO 35 HA PRO 35 0.142 20.470 -13.175 266 HB2 PRO 35 HB2 PRO 35 -0.821 18.804 -11.184 267 HB3 PRO 35 HB3 PRO 35 -1.865 19.884 -12.181 268 HG2 PRO 35 HG2 PRO 35 -1.324 16.970 -12.312 269 HG3 PRO 35 HG3 PRO 35 -2.844 17.823 -12.754 270 HD2 PRO 35 HD2 PRO 35 -0.973 16.814 -14.492 271 HD3 PRO 35 HD3 PRO 35 -2.056 18.165 -14.921 272 H GLU 36 H GLU 36 1.549 20.578 -11.351 273 HA GLU 36 HA GLU 36 3.935 19.004 -11.634 274 HB2 GLU 36 HB2 GLU 36 4.547 20.205 -9.480 275 HB3 GLU 36 HB3 GLU 36 4.213 21.172 -10.935 276 HG2 GLU 36 HG2 GLU 36 1.982 21.762 -10.115 277 HG3 GLU 36 HG3 GLU 36 2.187 20.706 -8.720 278 H GLU 37 H GLU 37 1.180 18.863 -9.404 279 HA GLU 37 HA GLU 37 2.320 17.145 -7.471 280 HB2 GLU 37 HB2 GLU 37 -0.041 16.476 -6.986 281 HB3 GLU 37 HB3 GLU 37 0.232 18.205 -7.043 282 HG2 GLU 37 HG2 GLU 37 -0.547 17.225 -9.687 283 HG3 GLU 37 HG3 GLU 37 -1.685 16.664 -8.480 284 H LEU 38 H LEU 38 0.839 16.394 -10.617 285 HA LEU 38 HA LEU 38 0.824 13.541 -10.399 286 HB2 LEU 38 HB2 LEU 38 0.624 15.601 -12.577 287 HB3 LEU 38 HB3 LEU 38 0.938 13.967 -13.065 288 HG LEU 38 HG LEU 38 -1.500 14.842 -13.073 289 HD11 LEU 38 HD11 LEU 38 -0.789 12.531 -13.510 290 HD12 LEU 38 HD12 LEU 38 -2.358 12.647 -12.731 291 HD13 LEU 38 HD13 LEU 38 -0.933 12.216 -11.756 292 HD21 LEU 38 HD21 LEU 38 -2.815 14.449 -11.044 293 HD22 LEU 38 HD22 LEU 38 -1.589 15.655 -10.685 294 HD23 LEU 38 HD23 LEU 38 -1.367 13.997 -10.132 295 H LEU 39 H LEU 39 3.019 15.966 -11.841 296 HA LEU 39 HA LEU 39 4.941 14.111 -12.821 297 HB2 LEU 39 HB2 LEU 39 5.311 16.988 -11.869 298 HB3 LEU 39 HB3 LEU 39 6.595 16.040 -12.588 299 HG LEU 39 HG LEU 39 4.007 16.831 -13.979 300 HD11 LEU 39 HD11 LEU 39 6.895 17.753 -14.382 301 HD12 LEU 39 HD12 LEU 39 5.608 18.691 -13.591 302 HD13 LEU 39 HD13 LEU 39 5.476 18.296 -15.307 303 HD21 LEU 39 HD21 LEU 39 4.715 14.721 -14.927 304 HD22 LEU 39 HD22 LEU 39 6.426 15.249 -14.951 305 HD23 LEU 39 HD23 LEU 39 5.235 15.984 -16.032 306 H ASN 40 H ASN 40 4.877 15.915 -9.727 307 HA ASN 40 HA ASN 40 7.150 14.837 -8.538 308 HB2 ASN 40 HB2 ASN 40 4.607 16.129 -7.563 309 HB3 ASN 40 HB3 ASN 40 5.563 15.248 -6.371 310 HD21 ASN 40 HD21 ASN 40 5.159 18.341 -7.523 311 HD22 ASN 40 HD22 ASN 40 6.762 18.926 -7.240 312 H GLU 41 H GLU 41 3.860 13.498 -8.568 313 HA GLU 41 HA GLU 41 4.391 11.318 -6.799 314 HB2 GLU 41 HB2 GLU 41 2.289 12.160 -8.734 315 HB3 GLU 41 HB3 GLU 41 2.271 10.459 -8.270 316 HG2 GLU 41 HG2 GLU 41 2.055 11.015 -5.930 317 HG3 GLU 41 HG3 GLU 41 2.425 12.707 -6.222 318 H TRP 42 H TRP 42 4.081 11.402 -10.383 319 HA TRP 42 HA TRP 42 4.953 8.732 -10.745 320 HB2 TRP 42 HB2 TRP 42 5.247 11.024 -12.694 321 HB3 TRP 42 HB3 TRP 42 5.175 9.306 -13.060 322 HD1 TRP 42 HD1 TRP 42 3.293 11.427 -14.377 323 HE1 TRP 42 HE1 TRP 42 0.750 11.238 -14.202 324 HE3 TRP 42 HE3 TRP 42 2.877 8.530 -10.109 325 HZ2 TRP 42 HZ2 TRP 42 -1.197 10.081 -12.461 326 HZ3 TRP 42 HZ3 TRP 42 0.624 7.963 -9.257 327 HH2 TRP 42 HH2 TRP 42 -1.393 8.683 -10.414 328 H LYS 43 H LYS 43 6.866 11.680 -10.288 329 HA LYS 43 HA LYS 43 9.348 10.490 -11.189 330 HB2 LYS 43 HB2 LYS 43 8.576 13.006 -9.679 331 HB3 LYS 43 HB3 LYS 43 10.270 12.601 -9.993 332 HG2 LYS 43 HG2 LYS 43 9.924 12.511 -12.381 333 HG3 LYS 43 HG3 LYS 43 8.207 12.545 -12.200 334 HD2 LYS 43 HD2 LYS 43 8.608 14.691 -12.900 335 HD3 LYS 43 HD3 LYS 43 8.399 14.835 -11.162 336 HE2 LYS 43 HE2 LYS 43 10.251 16.206 -11.744 337 HE3 LYS 43 HE3 LYS 43 10.936 14.798 -10.928 338 HZ1 LYS 43 HZ1 LYS 43 10.739 15.111 -13.875 339 HZ2 LYS 43 HZ2 LYS 43 11.562 13.911 -13.064 340 HZ3 LYS 43 HZ3 LYS 43 12.083 15.461 -13.004 341 H TYR 44 H TYR 44 7.548 10.580 -8.195 342 HA TYR 44 HA TYR 44 9.737 9.847 -6.452 343 HB2 TYR 44 HB2 TYR 44 7.434 10.784 -5.817 344 HB3 TYR 44 HB3 TYR 44 6.808 9.158 -6.032 345 HD1 TYR 44 HD1 TYR 44 8.482 11.463 -3.793 346 HD2 TYR 44 HD2 TYR 44 7.835 7.265 -4.564 347 HE1 TYR 44 HE1 TYR 44 9.004 10.948 -1.437 348 HE2 TYR 44 HE2 TYR 44 8.298 6.749 -2.202 349 HH TYR 44 HH TYR 44 8.909 7.603 -0.119 350 H TYR 45 H TYR 45 7.208 7.963 -8.216 351 HA TYR 45 HA TYR 45 8.641 5.430 -7.715 352 HB2 TYR 45 HB2 TYR 45 5.789 6.026 -8.598 353 HB3 TYR 45 HB3 TYR 45 6.470 4.432 -8.331 354 HD1 TYR 45 HD1 TYR 45 7.571 3.893 -6.069 355 HD2 TYR 45 HD2 TYR 45 4.852 7.191 -6.661 356 HE1 TYR 45 HE1 TYR 45 7.185 3.973 -3.657 357 HE2 TYR 45 HE2 TYR 45 4.398 7.234 -4.211 358 HH TYR 45 HH TYR 45 4.591 5.972 -2.226 359 H ARG 46 H ARG 46 9.481 7.448 -9.879 360 HA ARG 46 HA ARG 46 8.627 6.554 -12.385 361 HB2 ARG 46 HB2 ARG 46 10.269 7.719 -13.389 362 HB3 ARG 46 HB3 ARG 46 10.065 8.613 -11.921 363 HG2 ARG 46 HG2 ARG 46 12.276 6.555 -12.403 364 HG3 ARG 46 HG3 ARG 46 12.434 8.264 -12.783 365 HD2 ARG 46 HD2 ARG 46 12.275 8.981 -10.624 366 HD3 ARG 46 HD3 ARG 46 11.429 7.533 -10.059 367 HE ARG 46 HE ARG 46 14.105 6.861 -10.799 368 HH11 ARG 46 HH11 ARG 46 12.068 8.387 -8.283 369 HH12 ARG 46 HH12 ARG 46 13.064 7.928 -6.962 370 HH21 ARG 46 HH21 ARG 46 15.354 6.053 -8.934 371 HH22 ARG 46 HH22 ARG 46 15.062 6.788 -7.389 372 H GLN 47 H GLN 47 11.243 5.206 -10.312 373 HA GLN 47 HA GLN 47 12.147 3.406 -12.333 374 HB2 GLN 47 HB2 GLN 47 13.546 4.045 -10.430 375 HB3 GLN 47 HB3 GLN 47 12.367 3.371 -9.308 376 HG2 GLN 47 HG2 GLN 47 14.213 1.861 -9.495 377 HG3 GLN 47 HG3 GLN 47 12.802 1.085 -10.171 378 HE21 GLN 47 HE21 GLN 47 12.615 1.045 -12.601 379 HE22 GLN 47 HE22 GLN 47 14.070 1.084 -13.574 380 H ASP 48 H ASP 48 9.667 3.207 -9.748 381 HA ASP 48 HA ASP 48 9.227 0.387 -10.045 382 HB2 ASP 48 HB2 ASP 48 8.507 2.173 -8.182 383 HB3 ASP 48 HB3 ASP 48 7.077 2.359 -9.193 384 H LEU 49 H LEU 49 7.766 3.241 -11.384 385 HA LEU 49 HA LEU 49 5.788 2.101 -13.045 386 HB2 LEU 49 HB2 LEU 49 7.382 4.651 -13.059 387 HB3 LEU 49 HB3 LEU 49 6.461 4.264 -14.494 388 HG LEU 49 HG LEU 49 5.065 4.196 -11.825 389 HD11 LEU 49 HD11 LEU 49 4.527 6.600 -12.068 390 HD12 LEU 49 HD12 LEU 49 5.672 6.714 -13.417 391 HD13 LEU 49 HD13 LEU 49 6.253 6.324 -11.781 392 HD21 LEU 49 HD21 LEU 49 3.856 3.366 -13.680 393 HD22 LEU 49 HD22 LEU 49 4.200 4.822 -14.632 394 HD23 LEU 49 HD23 LEU 49 3.167 4.922 -13.184 395 H ILE 50 H ILE 50 8.999 3.318 -14.103 396 HA ILE 50 HA ILE 50 9.098 2.348 -16.628 397 HB ILE 50 HB ILE 50 11.321 2.533 -14.555 398 HG12 ILE 50 HG12 ILE 50 11.109 4.308 -16.992 399 HG13 ILE 50 HG13 ILE 50 10.034 4.610 -15.655 400 HG21 ILE 50 HG21 ILE 50 12.217 0.952 -16.113 401 HG22 ILE 50 HG22 ILE 50 11.613 1.847 -17.499 402 HG23 ILE 50 HG23 ILE 50 12.953 2.493 -16.540 403 HD11 ILE 50 HD11 ILE 50 13.104 4.511 -15.551 404 HD12 ILE 50 HD12 ILE 50 12.112 5.962 -15.446 405 HD13 ILE 50 HD13 ILE 50 12.077 4.798 -14.134 406 H ASP 51 H ASP 51 9.970 0.369 -13.753 407 HA ASP 51 HA ASP 51 10.935 -1.815 -15.115 408 HB2 ASP 51 HB2 ASP 51 10.721 -1.325 -12.569 409 HB3 ASP 51 HB3 ASP 51 9.099 -1.980 -12.665 410 H PHE 52 H PHE 52 7.538 -0.961 -14.567 411 HA PHE 52 HA PHE 52 6.601 -3.444 -15.934 412 HB2 PHE 52 HB2 PHE 52 5.248 -1.121 -14.527 413 HB3 PHE 52 HB3 PHE 52 4.349 -2.154 -15.614 414 HD1 PHE 52 HD1 PHE 52 6.779 -2.642 -12.738 415 HD2 PHE 52 HD2 PHE 52 3.092 -3.837 -14.663 416 HE1 PHE 52 HE1 PHE 52 6.328 -4.213 -10.910 417 HE2 PHE 52 HE2 PHE 52 2.647 -5.406 -12.804 418 HZ PHE 52 HZ PHE 52 4.242 -5.594 -10.915 419 H LEU 53 H LEU 53 7.031 0.038 -16.500 420 HA LEU 53 HA LEU 53 5.377 0.306 -18.803 421 HB2 LEU 53 HB2 LEU 53 7.960 1.767 -18.301 422 HB3 LEU 53 HB3 LEU 53 6.746 2.230 -19.464 423 HG LEU 53 HG LEU 53 6.642 2.409 -16.499 424 HD11 LEU 53 HD11 LEU 53 7.537 4.280 -17.591 425 HD12 LEU 53 HD12 LEU 53 5.981 4.647 -16.870 426 HD13 LEU 53 HD13 LEU 53 6.096 4.368 -18.626 427 HD21 LEU 53 HD21 LEU 53 4.301 3.080 -16.546 428 HD22 LEU 53 HD22 LEU 53 4.531 1.377 -16.918 429 HD23 LEU 53 HD23 LEU 53 4.199 2.524 -18.242 430 H GLN 54 H GLN 54 8.765 -0.698 -18.522 431 HA GLN 54 HA GLN 54 9.358 -0.752 -21.261 432 HB2 GLN 54 HB2 GLN 54 10.260 -2.783 -19.146 433 HB3 GLN 54 HB3 GLN 54 11.088 -2.432 -20.650 434 HG2 GLN 54 HG2 GLN 54 10.884 0.003 -19.105 435 HG3 GLN 54 HG3 GLN 54 11.355 -1.244 -18.006 436 HE21 GLN 54 HE21 GLN 54 12.824 1.060 -19.094 437 HE22 GLN 54 HE22 GLN 54 14.232 0.486 -20.005 438 H GLN 55 H GLN 55 7.919 -3.218 -19.213 439 HA GLN 55 HA GLN 55 7.640 -5.193 -21.279 440 HB2 GLN 55 HB2 GLN 55 6.260 -5.165 -18.580 441 HB3 GLN 55 HB3 GLN 55 6.789 -6.557 -19.540 442 HG2 GLN 55 HG2 GLN 55 9.198 -5.538 -19.200 443 HG3 GLN 55 HG3 GLN 55 8.437 -4.612 -17.910 444 HE21 GLN 55 HE21 GLN 55 6.703 -6.630 -16.774 445 HE22 GLN 55 HE22 GLN 55 7.757 -7.841 -16.105 446 H LEU 56 H LEU 56 5.596 -2.607 -20.044 447 HA LEU 56 HA LEU 56 3.070 -3.614 -20.883 448 HB2 LEU 56 HB2 LEU 56 4.157 -1.094 -19.881 449 HB3 LEU 56 HB3 LEU 56 3.134 -0.784 -21.266 450 HG LEU 56 HG LEU 56 1.386 -2.316 -20.165 451 HD11 LEU 56 HD11 LEU 56 3.076 -1.711 -17.694 452 HD12 LEU 56 HD12 LEU 56 2.915 -3.303 -18.446 453 HD13 LEU 56 HD13 LEU 56 1.495 -2.535 -17.717 454 HD21 LEU 56 HD21 LEU 56 1.212 0.151 -20.325 455 HD22 LEU 56 HD22 LEU 56 2.056 0.309 -18.782 456 HD23 LEU 56 HD23 LEU 56 0.454 -0.491 -18.873 457 H ASP 57 H ASP 57 5.624 -1.719 -22.531 458 HA ASP 57 HA ASP 57 4.064 -1.804 -25.051 459 HB2 ASP 57 HB2 ASP 57 5.461 0.190 -24.052 460 HB3 ASP 57 HB3 ASP 57 6.818 -0.660 -24.742 461 H ALA 58 H ALA 58 6.868 -3.305 -23.540 462 HA ALA 58 HA ALA 58 8.180 -5.041 -24.004 463 HB1 ALA 58 HB1 ALA 58 5.995 -5.885 -25.913 464 HB2 ALA 58 HB2 ALA 58 7.252 -6.927 -25.219 465 HB3 ALA 58 HB3 ALA 58 6.011 -6.204 -24.163 466 H LYS 59 H LYS 59 8.848 -2.735 -25.323 467 HA LYS 59 HA LYS 59 9.994 -3.630 -27.919 468 HB2 LYS 59 HB2 LYS 59 9.875 -1.269 -28.579 469 HB3 LYS 59 HB3 LYS 59 8.290 -1.846 -28.043 470 HG2 LYS 59 HG2 LYS 59 8.785 -0.850 -25.756 471 HG3 LYS 59 HG3 LYS 59 10.274 -0.208 -26.422 472 HD2 LYS 59 HD2 LYS 59 7.857 0.469 -27.967 473 HD3 LYS 59 HD3 LYS 59 7.841 1.083 -26.322 474 HE2 LYS 59 HE2 LYS 59 10.276 1.461 -28.094 475 HE3 LYS 59 HE3 LYS 59 8.863 2.521 -28.244 476 HZ1 LYS 59 HZ1 LYS 59 10.490 3.423 -26.717 477 HZ2 LYS 59 HZ2 LYS 59 10.361 2.122 -25.728 478 HZ3 LYS 59 HZ3 LYS 59 9.077 3.122 -25.944 479 H GLU 60 H GLU 60 11.918 -2.092 -28.454 480 HA GLU 60 HA GLU 60 13.994 -2.560 -26.461 481 HB2 GLU 60 HB2 GLU 60 14.371 -1.155 -29.132 482 HB3 GLU 60 HB3 GLU 60 15.524 -2.086 -28.202 483 HG2 GLU 60 HG2 GLU 60 15.052 -3.401 -30.073 484 HG3 GLU 60 HG3 GLU 60 14.177 -4.172 -28.756 485 H GLU 61 H GLU 61 15.736 -0.764 -26.319 486 HA GLU 61 HA GLU 61 15.357 1.931 -26.595 487 HB2 GLU 61 HB2 GLU 61 15.112 2.645 -24.183 488 HB3 GLU 61 HB3 GLU 61 13.680 2.114 -25.007 489 HG2 GLU 61 HG2 GLU 61 13.450 1.203 -22.913 490 HG3 GLU 61 HG3 GLU 61 14.003 -0.178 -23.849 491 H THR 62 H THR 62 17.074 2.920 -24.637 492 HA THR 62 HA THR 62 19.245 1.303 -23.995 493 HB THR 62 HB THR 62 19.568 1.388 -26.511 494 HG1 THR 62 HG1 THR 62 21.749 2.255 -26.332 495 HG21 THR 62 HG21 THR 62 20.094 4.360 -26.105 496 HG22 THR 62 HG22 THR 62 18.658 3.674 -26.894 497 HG23 THR 62 HG23 THR 62 20.267 3.431 -27.601 498 H GLN 63 H GLN 63 21.114 3.041 -23.410 499 HA GLN 63 HA GLN 63 19.957 5.567 -22.419 500 HB2 GLN 63 HB2 GLN 63 20.005 4.018 -20.506 501 HB3 GLN 63 HB3 GLN 63 21.653 3.540 -20.896 502 HG2 GLN 63 HG2 GLN 63 21.622 5.008 -18.963 503 HG3 GLN 63 HG3 GLN 63 22.501 5.756 -20.286 504 HE21 GLN 63 HE21 GLN 63 21.245 7.351 -21.631 505 HE22 GLN 63 HE22 GLN 63 20.050 8.376 -20.866 Start of MODEL 19 1 H1 MET 1 H MET 1 2.688 -2.010 -0.613 2 HA MET 1 HA MET 1 3.779 0.522 -1.668 3 HB2 MET 1 HB2 MET 1 4.608 -2.343 -2.272 4 HB3 MET 1 HB3 MET 1 5.060 -0.967 -3.280 5 HG2 MET 1 HG2 MET 1 5.770 -1.384 -0.356 6 HG3 MET 1 HG3 MET 1 6.865 -1.392 -1.737 7 HE1 MET 1 HE1 MET 1 8.010 1.837 0.164 8 HE2 MET 1 HE2 MET 1 7.226 0.520 1.045 9 HE3 MET 1 HE3 MET 1 8.372 0.150 -0.257 10 H LYS 2 H LYS 2 3.363 0.945 -3.926 11 HA LYS 2 HA LYS 2 0.853 -0.294 -4.975 12 HB2 LYS 2 HB2 LYS 2 0.510 2.070 -4.069 13 HB3 LYS 2 HB3 LYS 2 1.756 2.602 -5.218 14 HG2 LYS 2 HG2 LYS 2 0.372 1.732 -7.088 15 HG3 LYS 2 HG3 LYS 2 -0.956 1.402 -5.959 16 HD2 LYS 2 HD2 LYS 2 -0.674 3.960 -5.317 17 HD3 LYS 2 HD3 LYS 2 0.340 4.038 -6.740 18 HE2 LYS 2 HE2 LYS 2 -1.705 4.729 -7.577 19 HE3 LYS 2 HE3 LYS 2 -1.584 3.036 -8.059 20 HZ1 LYS 2 HZ1 LYS 2 -2.931 2.608 -5.937 21 HZ2 LYS 2 HZ2 LYS 2 -3.737 3.313 -7.181 22 HZ3 LYS 2 HZ3 LYS 2 -3.205 4.215 -5.908 23 H ASN 3 H ASN 3 1.380 -1.410 -6.613 24 HA ASN 3 HA ASN 3 3.913 -1.239 -7.979 25 HB2 ASN 3 HB2 ASN 3 2.757 -2.918 -9.503 26 HB3 ASN 3 HB3 ASN 3 3.068 -3.400 -7.861 27 HD21 ASN 3 HD21 ASN 3 0.835 -3.883 -10.186 28 HD22 ASN 3 HD22 ASN 3 -0.607 -3.944 -9.242 29 H ALA 4 H ALA 4 4.110 -0.947 -10.202 30 HA ALA 4 HA ALA 4 3.387 1.445 -11.282 31 HB1 ALA 4 HB1 ALA 4 5.149 -0.003 -12.132 32 HB2 ALA 4 HB2 ALA 4 3.951 -1.149 -12.740 33 HB3 ALA 4 HB3 ALA 4 4.059 0.476 -13.456 34 H ALA 5 H ALA 5 1.803 -1.666 -11.956 35 HA ALA 5 HA ALA 5 0.009 -0.898 -13.824 36 HB1 ALA 5 HB1 ALA 5 -1.375 -2.826 -13.125 37 HB2 ALA 5 HB2 ALA 5 0.356 -3.229 -13.068 38 HB3 ALA 5 HB3 ALA 5 -0.542 -2.865 -11.576 39 H GLN 6 H GLN 6 -0.360 -0.476 -10.285 40 HA GLN 6 HA GLN 6 -3.071 0.560 -10.438 41 HB2 GLN 6 HB2 GLN 6 -0.891 0.517 -8.318 42 HB3 GLN 6 HB3 GLN 6 -2.455 1.262 -8.063 43 HG2 GLN 6 HG2 GLN 6 -3.539 -0.903 -8.483 44 HG3 GLN 6 HG3 GLN 6 -1.939 -1.675 -8.511 45 HE21 GLN 6 HE21 GLN 6 -0.789 -1.804 -6.486 46 HE22 GLN 6 HE22 GLN 6 -1.560 -1.433 -4.947 47 H ILE 7 H ILE 7 0.251 1.937 -10.326 48 HA ILE 7 HA ILE 7 -0.557 4.654 -9.874 49 HB ILE 7 HB ILE 7 1.956 3.898 -11.419 50 HG12 ILE 7 HG12 ILE 7 1.343 3.398 -8.525 51 HG13 ILE 7 HG13 ILE 7 2.172 2.407 -9.703 52 HG21 ILE 7 HG21 ILE 7 1.392 6.096 -9.400 53 HG22 ILE 7 HG22 ILE 7 2.854 5.924 -10.370 54 HG23 ILE 7 HG23 ILE 7 1.330 6.309 -11.155 55 HD11 ILE 7 HD11 ILE 7 4.148 3.885 -9.582 56 HD12 ILE 7 HD12 ILE 7 3.327 4.794 -8.276 57 HD13 ILE 7 HD13 ILE 7 3.735 3.100 -8.043 58 H VAL 8 H VAL 8 0.225 2.861 -12.912 59 HA VAL 8 HA VAL 8 -0.344 5.090 -14.605 60 HB VAL 8 HB VAL 8 -0.413 2.132 -15.272 61 HG11 VAL 8 HG11 VAL 8 0.021 2.789 -17.598 62 HG12 VAL 8 HG12 VAL 8 -1.507 3.463 -17.034 63 HG13 VAL 8 HG13 VAL 8 -0.083 4.505 -17.154 64 HG21 VAL 8 HG21 VAL 8 1.897 2.572 -16.191 65 HG22 VAL 8 HG22 VAL 8 1.845 4.111 -15.289 66 HG23 VAL 8 HG23 VAL 8 1.742 2.561 -14.443 67 H ASP 9 H ASP 9 -2.420 2.553 -13.290 68 HA ASP 9 HA ASP 9 -4.728 3.156 -14.882 69 HB2 ASP 9 HB2 ASP 9 -4.249 1.820 -12.190 70 HB3 ASP 9 HB3 ASP 9 -5.876 2.349 -12.560 71 H GLU 10 H GLU 10 -3.683 4.453 -11.746 72 HA GLU 10 HA GLU 10 -5.871 6.277 -11.412 73 HB2 GLU 10 HB2 GLU 10 -3.049 6.025 -10.323 74 HB3 GLU 10 HB3 GLU 10 -3.860 7.549 -10.091 75 HG2 GLU 10 HG2 GLU 10 -4.849 4.809 -9.175 76 HG3 GLU 10 HG3 GLU 10 -4.143 6.072 -8.147 77 H ALA 11 H ALA 11 -2.647 6.700 -13.024 78 HA ALA 11 HA ALA 11 -3.000 9.475 -13.565 79 HB1 ALA 11 HB1 ALA 11 -1.022 9.222 -14.940 80 HB2 ALA 11 HB2 ALA 11 -0.846 8.044 -13.622 81 HB3 ALA 11 HB3 ALA 11 -1.372 7.516 -15.227 82 H LEU 12 H LEU 12 -3.697 6.519 -15.469 83 HA LEU 12 HA LEU 12 -4.397 7.695 -17.884 84 HB2 LEU 12 HB2 LEU 12 -4.049 5.335 -17.655 85 HB3 LEU 12 HB3 LEU 12 -5.346 5.194 -16.459 86 HG LEU 12 HG LEU 12 -7.006 5.827 -18.124 87 HD11 LEU 12 HD11 LEU 12 -5.640 7.164 -19.710 88 HD12 LEU 12 HD12 LEU 12 -6.377 5.820 -20.559 89 HD13 LEU 12 HD13 LEU 12 -4.659 5.744 -20.101 90 HD21 LEU 12 HD21 LEU 12 -5.183 3.483 -18.854 91 HD22 LEU 12 HD22 LEU 12 -6.848 3.675 -19.431 92 HD23 LEU 12 HD23 LEU 12 -6.521 3.464 -17.704 93 H ASN 13 H ASN 13 -6.421 7.102 -15.025 94 HA ASN 13 HA ASN 13 -8.923 7.943 -15.979 95 HB2 ASN 13 HB2 ASN 13 -8.049 6.902 -13.692 96 HB3 ASN 13 HB3 ASN 13 -7.976 8.587 -13.178 97 HD21 ASN 13 HD21 ASN 13 -9.617 6.360 -12.270 98 HD22 ASN 13 HD22 ASN 13 -11.305 6.800 -12.460 99 H GLN 14 H GLN 14 -6.103 9.888 -15.001 100 HA GLN 14 HA GLN 14 -7.632 12.405 -14.930 101 HB2 GLN 14 HB2 GLN 14 -4.613 12.122 -14.811 102 HB3 GLN 14 HB3 GLN 14 -5.641 13.435 -14.222 103 HG2 GLN 14 HG2 GLN 14 -6.624 11.457 -12.731 104 HG3 GLN 14 HG3 GLN 14 -5.075 10.711 -13.103 105 HE21 GLN 14 HE21 GLN 14 -4.390 10.721 -10.915 106 HE22 GLN 14 HE22 GLN 14 -4.084 12.233 -10.062 107 H GLY 15 H GLY 15 -6.458 10.460 -17.344 108 HA2 GLY 15 HA2 GLY 15 -6.519 10.879 -19.593 109 HA3 GLY 15 HA3 GLY 15 -6.472 12.623 -19.326 110 H ILE 16 H ILE 16 -4.037 10.430 -17.767 111 HA ILE 16 HA ILE 16 -2.049 11.244 -19.788 112 HB ILE 16 HB ILE 16 -1.842 12.913 -18.177 113 HG12 ILE 16 HG12 ILE 16 0.220 11.570 -18.899 114 HG13 ILE 16 HG13 ILE 16 0.351 12.864 -17.736 115 HG21 ILE 16 HG21 ILE 16 -2.025 10.886 -15.955 116 HG22 ILE 16 HG22 ILE 16 -1.560 12.586 -15.756 117 HG23 ILE 16 HG23 ILE 16 -3.164 12.181 -16.343 118 HD11 ILE 16 HD11 ILE 16 0.391 11.241 -15.895 119 HD12 ILE 16 HD12 ILE 16 0.323 9.919 -17.080 120 HD13 ILE 16 HD13 ILE 16 1.707 11.036 -17.043 121 H THR 17 H THR 17 -0.858 9.611 -20.427 122 HA THR 17 HA THR 17 -0.922 7.028 -18.900 123 HB THR 17 HB THR 17 0.002 7.588 -21.757 124 HG1 THR 17 HG1 THR 17 -1.944 7.128 -22.540 125 HG21 THR 17 HG21 THR 17 -1.078 5.047 -20.470 126 HG22 THR 17 HG22 THR 17 0.607 5.355 -20.972 127 HG23 THR 17 HG23 THR 17 -0.653 5.240 -22.177 128 H LEU 18 H LEU 18 1.127 5.784 -18.987 129 HA LEU 18 HA LEU 18 3.504 7.537 -18.729 130 HB2 LEU 18 HB2 LEU 18 2.815 5.126 -16.921 131 HB3 LEU 18 HB3 LEU 18 4.318 6.026 -17.008 132 HG LEU 18 HG LEU 18 3.164 6.721 -15.119 133 HD11 LEU 18 HD11 LEU 18 4.342 8.502 -16.515 134 HD12 LEU 18 HD12 LEU 18 3.147 9.059 -15.323 135 HD13 LEU 18 HD13 LEU 18 2.696 8.985 -17.021 136 HD21 LEU 18 HD21 LEU 18 1.059 7.538 -14.875 137 HD22 LEU 18 HD22 LEU 18 0.866 6.126 -15.924 138 HD23 LEU 18 HD23 LEU 18 0.778 7.743 -16.616 139 H PHE 19 H PHE 19 5.183 6.877 -19.963 140 HA PHE 19 HA PHE 19 5.304 4.116 -21.030 141 HB2 PHE 19 HB2 PHE 19 5.249 6.675 -22.686 142 HB3 PHE 19 HB3 PHE 19 6.080 5.241 -23.253 143 HD1 PHE 19 HD1 PHE 19 3.643 6.859 -24.448 144 HD2 PHE 19 HD2 PHE 19 4.135 3.040 -22.473 145 HE1 PHE 19 HE1 PHE 19 1.631 5.988 -25.596 146 HE2 PHE 19 HE2 PHE 19 2.179 2.184 -23.661 147 HZ PHE 19 HZ PHE 19 0.907 3.637 -25.225 148 H VAL 20 H VAL 20 7.450 3.710 -22.018 149 HA VAL 20 HA VAL 20 9.634 5.251 -20.706 150 HB VAL 20 HB VAL 20 9.073 2.306 -20.906 151 HG11 VAL 20 HG11 VAL 20 11.934 3.317 -21.147 152 HG12 VAL 20 HG12 VAL 20 11.403 1.642 -20.844 153 HG13 VAL 20 HG13 VAL 20 11.048 2.394 -22.392 154 HG21 VAL 20 HG21 VAL 20 10.917 3.826 -19.050 155 HG22 VAL 20 HG22 VAL 20 9.165 3.783 -18.829 156 HG23 VAL 20 HG23 VAL 20 10.083 2.268 -18.818 157 H ALA 21 H ALA 21 11.480 5.659 -21.891 158 HA ALA 21 HA ALA 21 12.061 4.946 -24.543 159 HB1 ALA 21 HB1 ALA 21 10.811 7.700 -24.038 160 HB2 ALA 21 HB2 ALA 21 11.881 7.332 -25.407 161 HB3 ALA 21 HB3 ALA 21 10.339 6.488 -25.263 162 H ASP 22 H ASP 22 14.175 5.909 -24.939 163 HA ASP 22 HA ASP 22 16.290 6.472 -24.224 164 HB2 ASP 22 HB2 ASP 22 14.515 8.616 -23.933 165 HB3 ASP 22 HB3 ASP 22 15.348 8.617 -22.428 166 H ASN 23 H ASN 23 14.803 4.497 -22.529 167 HA ASN 23 HA ASN 23 14.948 3.393 -20.618 168 HB2 ASN 23 HB2 ASN 23 17.399 3.450 -21.618 169 HB3 ASN 23 HB3 ASN 23 17.748 4.477 -20.232 170 HD21 ASN 23 HD21 ASN 23 16.694 1.306 -21.333 171 HD22 ASN 23 HD22 ASN 23 17.065 0.435 -19.863 172 H ARG 24 H ARG 24 13.805 5.960 -20.374 173 HA ARG 24 HA ARG 24 14.157 6.450 -17.482 174 HB2 ARG 24 HB2 ARG 24 14.345 8.809 -17.754 175 HB3 ARG 24 HB3 ARG 24 15.467 8.102 -18.936 176 HG2 ARG 24 HG2 ARG 24 13.802 8.433 -20.707 177 HG3 ARG 24 HG3 ARG 24 12.720 9.204 -19.548 178 HD2 ARG 24 HD2 ARG 24 13.803 10.789 -20.936 179 HD3 ARG 24 HD3 ARG 24 14.312 10.999 -19.224 180 HE ARG 24 HE ARG 24 16.300 9.412 -20.281 181 HH11 ARG 24 HH11 ARG 24 14.966 12.622 -21.231 182 HH12 ARG 24 HH12 ARG 24 16.333 12.991 -22.199 183 HH21 ARG 24 HH21 ARG 24 17.980 9.993 -21.745 184 HH22 ARG 24 HH22 ARG 24 18.257 11.664 -22.118 185 H LEU 25 H LEU 25 12.233 7.926 -16.718 186 HA LEU 25 HA LEU 25 9.756 6.650 -17.615 187 HB2 LEU 25 HB2 LEU 25 10.416 7.093 -15.194 188 HB3 LEU 25 HB3 LEU 25 10.302 8.789 -15.497 189 HG LEU 25 HG LEU 25 8.398 7.587 -14.284 190 HD11 LEU 25 HD11 LEU 25 6.667 9.033 -15.091 191 HD12 LEU 25 HD12 LEU 25 7.573 9.398 -16.562 192 HD13 LEU 25 HD13 LEU 25 8.200 9.896 -14.975 193 HD21 LEU 25 HD21 LEU 25 8.114 5.708 -15.847 194 HD22 LEU 25 HD22 LEU 25 7.470 6.831 -17.074 195 HD23 LEU 25 HD23 LEU 25 6.614 6.601 -15.550 196 H GLN 26 H GLN 26 8.149 7.670 -18.865 197 HA GLN 26 HA GLN 26 8.194 10.544 -19.374 198 HB2 GLN 26 HB2 GLN 26 8.389 8.411 -21.556 199 HB3 GLN 26 HB3 GLN 26 7.602 9.954 -21.809 200 HG2 GLN 26 HG2 GLN 26 9.529 10.806 -22.383 201 HG3 GLN 26 HG3 GLN 26 9.939 10.851 -20.679 202 HE21 GLN 26 HE21 GLN 26 10.127 7.728 -20.776 203 HE22 GLN 26 HE22 GLN 26 11.743 7.579 -21.403 204 H TYR 27 H TYR 27 6.041 10.814 -20.872 205 HA TYR 27 HA TYR 27 3.847 9.152 -20.016 206 HB2 TYR 27 HB2 TYR 27 2.734 11.490 -19.290 207 HB3 TYR 27 HB3 TYR 27 3.569 10.502 -18.130 208 HD1 TYR 27 HD1 TYR 27 5.711 11.152 -17.199 209 HD2 TYR 27 HD2 TYR 27 3.897 13.502 -20.327 210 HE1 TYR 27 HE1 TYR 27 7.378 12.914 -16.834 211 HE2 TYR 27 HE2 TYR 27 5.434 15.373 -19.825 212 HH TYR 27 HH TYR 27 7.102 16.178 -18.378 213 H GLU 28 H GLU 28 1.885 9.954 -20.984 214 HA GLU 28 HA GLU 28 2.165 11.660 -23.398 215 HB2 GLU 28 HB2 GLU 28 2.613 9.360 -24.139 216 HB3 GLU 28 HB3 GLU 28 1.118 8.795 -23.371 217 HG2 GLU 28 HG2 GLU 28 -0.235 10.205 -24.852 218 HG3 GLU 28 HG3 GLU 28 1.222 10.849 -25.604 219 H THR 29 H THR 29 0.653 13.199 -22.906 220 HA THR 29 HA THR 29 -2.036 12.262 -22.012 221 HB THR 29 HB THR 29 -0.840 13.301 -20.138 222 HG1 THR 29 HG1 THR 29 -3.081 13.579 -20.318 223 HG21 THR 29 HG21 THR 29 -0.772 15.839 -21.824 224 HG22 THR 29 HG22 THR 29 0.622 14.848 -21.331 225 HG23 THR 29 HG23 THR 29 -0.343 15.685 -20.104 226 H SER 30 H SER 30 -3.703 13.869 -22.527 227 HA SER 30 HA SER 30 -3.286 15.186 -25.161 228 HB2 SER 30 HB2 SER 30 -4.644 13.010 -25.104 229 HB3 SER 30 HB3 SER 30 -5.855 13.909 -24.180 230 HG SER 30 HG SER 30 -4.832 14.512 -26.768 231 H ARG 31 H ARG 31 -3.334 15.910 -22.053 232 HA ARG 31 HA ARG 31 -5.500 17.849 -21.795 233 HB2 ARG 31 HB2 ARG 31 -2.981 17.179 -20.207 234 HB3 ARG 31 HB3 ARG 31 -4.142 18.395 -19.690 235 HG2 ARG 31 HG2 ARG 31 -5.890 16.745 -19.391 236 HG3 ARG 31 HG3 ARG 31 -4.901 15.491 -20.126 237 HD2 ARG 31 HD2 ARG 31 -4.311 14.941 -18.037 238 HD3 ARG 31 HD3 ARG 31 -3.191 16.288 -18.125 239 HE ARG 31 HE ARG 31 -5.615 16.008 -16.561 240 HH11 ARG 31 HH11 ARG 31 -3.203 18.429 -17.702 241 HH12 ARG 31 HH12 ARG 31 -3.623 19.537 -16.435 242 HH21 ARG 31 HH21 ARG 31 -6.144 17.625 -14.964 243 HH22 ARG 31 HH22 ARG 31 -5.318 19.130 -14.981 244 H ASP 32 H ASP 32 -4.786 20.065 -21.066 245 HA ASP 32 HA ASP 32 -3.493 21.506 -23.209 246 HB2 ASP 32 HB2 ASP 32 -5.222 22.542 -21.829 247 HB3 ASP 32 HB3 ASP 32 -4.287 22.265 -20.361 248 H ASN 33 H ASN 33 -2.552 20.432 -19.968 249 HA ASN 33 HA ASN 33 0.252 20.275 -20.477 250 HB2 ASN 33 HB2 ASN 33 -0.780 22.771 -19.362 251 HB3 ASN 33 HB3 ASN 33 0.106 21.941 -18.104 252 HD21 ASN 33 HD21 ASN 33 0.366 22.642 -21.602 253 HD22 ASN 33 HD22 ASN 33 2.101 22.853 -21.643 254 H ILE 34 H ILE 34 1.059 19.979 -17.740 255 HA ILE 34 HA ILE 34 -0.842 18.021 -16.610 256 HB ILE 34 HB ILE 34 0.889 16.914 -17.974 257 HG12 ILE 34 HG12 ILE 34 1.917 15.456 -16.068 258 HG13 ILE 34 HG13 ILE 34 0.999 16.464 -14.958 259 HG21 ILE 34 HG21 ILE 34 3.218 16.946 -17.440 260 HG22 ILE 34 HG22 ILE 34 2.705 18.608 -17.715 261 HG23 ILE 34 HG23 ILE 34 2.944 18.031 -16.055 262 HD11 ILE 34 HD11 ILE 34 -0.161 14.905 -17.325 263 HD12 ILE 34 HD12 ILE 34 -0.241 14.409 -15.619 264 HD13 ILE 34 HD13 ILE 34 -1.119 15.841 -16.201 265 HA PRO 35 HA PRO 35 0.110 20.604 -13.106 266 HB2 PRO 35 HB2 PRO 35 -0.769 18.908 -11.098 267 HB3 PRO 35 HB3 PRO 35 -1.844 19.979 -12.052 268 HG2 PRO 35 HG2 PRO 35 -1.273 17.081 -12.228 269 HG3 PRO 35 HG3 PRO 35 -2.830 17.903 -12.551 270 HD2 PRO 35 HD2 PRO 35 -1.060 16.958 -14.431 271 HD3 PRO 35 HD3 PRO 35 -2.187 18.311 -14.763 272 H GLU 36 H GLU 36 1.719 20.684 -11.475 273 HA GLU 36 HA GLU 36 4.051 19.086 -11.956 274 HB2 GLU 36 HB2 GLU 36 4.835 20.157 -9.763 275 HB3 GLU 36 HB3 GLU 36 4.483 21.219 -11.141 276 HG2 GLU 36 HG2 GLU 36 2.510 22.053 -10.203 277 HG3 GLU 36 HG3 GLU 36 2.320 20.703 -9.074 278 H GLU 37 H GLU 37 1.555 18.954 -9.470 279 HA GLU 37 HA GLU 37 2.734 17.159 -7.658 280 HB2 GLU 37 HB2 GLU 37 0.244 16.577 -7.195 281 HB3 GLU 37 HB3 GLU 37 0.828 18.208 -6.880 282 HG2 GLU 37 HG2 GLU 37 -0.106 19.035 -8.973 283 HG3 GLU 37 HG3 GLU 37 -0.619 17.410 -9.423 284 H LEU 38 H LEU 38 0.936 16.502 -10.678 285 HA LEU 38 HA LEU 38 0.900 13.637 -10.447 286 HB2 LEU 38 HB2 LEU 38 0.602 15.657 -12.666 287 HB3 LEU 38 HB3 LEU 38 0.875 14.017 -13.126 288 HG LEU 38 HG LEU 38 -1.522 14.965 -13.026 289 HD11 LEU 38 HD11 LEU 38 -2.435 12.761 -12.658 290 HD12 LEU 38 HD12 LEU 38 -0.993 12.284 -11.746 291 HD13 LEU 38 HD13 LEU 38 -0.902 12.606 -13.496 292 HD21 LEU 38 HD21 LEU 38 -1.401 15.725 -10.584 293 HD22 LEU 38 HD22 LEU 38 -1.304 14.031 -10.107 294 HD23 LEU 38 HD23 LEU 38 -2.751 14.643 -10.930 295 H LEU 39 H LEU 39 3.069 15.965 -12.098 296 HA LEU 39 HA LEU 39 4.866 14.010 -13.158 297 HB2 LEU 39 HB2 LEU 39 5.394 16.897 -12.326 298 HB3 LEU 39 HB3 LEU 39 6.553 15.875 -13.152 299 HG LEU 39 HG LEU 39 3.860 16.748 -14.272 300 HD11 LEU 39 HD11 LEU 39 5.544 18.548 -14.157 301 HD12 LEU 39 HD12 LEU 39 5.268 18.073 -15.835 302 HD13 LEU 39 HD13 LEU 39 6.728 17.520 -15.004 303 HD21 LEU 39 HD21 LEU 39 4.810 15.765 -16.416 304 HD22 LEU 39 HD22 LEU 39 4.353 14.575 -15.211 305 HD23 LEU 39 HD23 LEU 39 6.072 15.006 -15.442 306 H ASN 40 H ASN 40 5.035 15.846 -10.107 307 HA ASN 40 HA ASN 40 7.388 14.636 -9.144 308 HB2 ASN 40 HB2 ASN 40 5.108 16.081 -7.787 309 HB3 ASN 40 HB3 ASN 40 6.517 15.458 -6.888 310 HD21 ASN 40 HD21 ASN 40 5.568 18.305 -7.574 311 HD22 ASN 40 HD22 ASN 40 6.962 19.054 -8.292 312 H GLU 41 H GLU 41 4.024 13.562 -8.826 313 HA GLU 41 HA GLU 41 4.619 11.438 -6.994 314 HB2 GLU 41 HB2 GLU 41 2.366 12.283 -8.749 315 HB3 GLU 41 HB3 GLU 41 2.345 10.590 -8.267 316 HG2 GLU 41 HG2 GLU 41 2.746 11.323 -5.875 317 HG3 GLU 41 HG3 GLU 41 2.646 13.021 -6.415 318 H TRP 42 H TRP 42 4.168 11.457 -10.558 319 HA TRP 42 HA TRP 42 4.957 8.731 -10.876 320 HB2 TRP 42 HB2 TRP 42 5.203 10.959 -12.894 321 HB3 TRP 42 HB3 TRP 42 5.073 9.230 -13.206 322 HD1 TRP 42 HD1 TRP 42 3.135 11.363 -14.470 323 HE1 TRP 42 HE1 TRP 42 0.610 11.199 -14.139 324 HE3 TRP 42 HE3 TRP 42 2.956 8.674 -10.047 325 HZ2 TRP 42 HZ2 TRP 42 -1.235 10.087 -12.273 326 HZ3 TRP 42 HZ3 TRP 42 0.820 8.179 -9.022 327 HH2 TRP 42 HH2 TRP 42 -1.328 8.779 -10.185 328 H LYS 43 H LYS 43 6.892 11.679 -10.598 329 HA LYS 43 HA LYS 43 9.398 10.593 -11.465 330 HB2 LYS 43 HB2 LYS 43 8.415 12.970 -9.845 331 HB3 LYS 43 HB3 LYS 43 10.128 12.651 -9.917 332 HG2 LYS 43 HG2 LYS 43 10.102 12.753 -12.331 333 HG3 LYS 43 HG3 LYS 43 8.402 12.912 -12.391 334 HD2 LYS 43 HD2 LYS 43 8.446 15.101 -11.326 335 HD3 LYS 43 HD3 LYS 43 10.205 14.952 -11.051 336 HE2 LYS 43 HE2 LYS 43 10.528 14.679 -13.521 337 HE3 LYS 43 HE3 LYS 43 8.803 14.961 -13.773 338 HZ1 LYS 43 HZ1 LYS 43 9.093 17.213 -12.977 339 HZ2 LYS 43 HZ2 LYS 43 10.262 16.922 -14.080 340 HZ3 LYS 43 HZ3 LYS 43 10.623 16.920 -12.490 341 H TYR 44 H TYR 44 7.597 10.519 -8.418 342 HA TYR 44 HA TYR 44 9.888 9.712 -6.805 343 HB2 TYR 44 HB2 TYR 44 7.997 10.926 -5.841 344 HB3 TYR 44 HB3 TYR 44 6.902 9.624 -6.266 345 HD1 TYR 44 HD1 TYR 44 10.156 10.071 -4.326 346 HD2 TYR 44 HD2 TYR 44 6.318 8.140 -4.627 347 HE1 TYR 44 HE1 TYR 44 10.442 9.147 -2.056 348 HE2 TYR 44 HE2 TYR 44 6.643 7.115 -2.418 349 HH TYR 44 HH TYR 44 7.815 7.259 -0.480 350 H TYR 45 H TYR 45 7.059 7.896 -8.228 351 HA TYR 45 HA TYR 45 8.325 5.345 -7.520 352 HB2 TYR 45 HB2 TYR 45 5.583 6.038 -8.672 353 HB3 TYR 45 HB3 TYR 45 6.165 4.432 -8.278 354 HD1 TYR 45 HD1 TYR 45 7.011 3.948 -5.896 355 HD2 TYR 45 HD2 TYR 45 4.372 7.209 -6.894 356 HE1 TYR 45 HE1 TYR 45 6.188 3.992 -3.559 357 HE2 TYR 45 HE2 TYR 45 3.569 7.271 -4.559 358 HH TYR 45 HH TYR 45 3.826 6.409 -2.367 359 H ARG 46 H ARG 46 9.307 7.302 -9.714 360 HA ARG 46 HA ARG 46 8.647 6.350 -12.230 361 HB2 ARG 46 HB2 ARG 46 10.347 7.506 -13.124 362 HB3 ARG 46 HB3 ARG 46 10.105 8.389 -11.646 363 HG2 ARG 46 HG2 ARG 46 12.281 6.283 -12.076 364 HG3 ARG 46 HG3 ARG 46 12.493 7.993 -12.421 365 HD2 ARG 46 HD2 ARG 46 12.483 8.655 -10.266 366 HD3 ARG 46 HD3 ARG 46 11.424 7.342 -9.737 367 HE ARG 46 HE ARG 46 13.153 6.038 -9.219 368 HH11 ARG 46 HH11 ARG 46 14.537 9.026 -10.498 369 HH12 ARG 46 HH12 ARG 46 16.072 8.338 -10.884 370 HH21 ARG 46 HH21 ARG 46 15.389 5.195 -9.400 371 HH22 ARG 46 HH22 ARG 46 16.615 6.247 -9.914 372 H GLN 47 H GLN 47 10.990 4.953 -9.930 373 HA GLN 47 HA GLN 47 12.067 3.070 -11.775 374 HB2 GLN 47 HB2 GLN 47 12.883 3.924 -9.410 375 HB3 GLN 47 HB3 GLN 47 11.906 2.595 -8.788 376 HG2 GLN 47 HG2 GLN 47 14.345 2.545 -10.594 377 HG3 GLN 47 HG3 GLN 47 14.182 1.880 -8.966 378 HE21 GLN 47 HE21 GLN 47 13.947 1.193 -12.356 379 HE22 GLN 47 HE22 GLN 47 13.194 -0.352 -12.216 380 H ASP 48 H ASP 48 9.251 2.910 -9.422 381 HA ASP 48 HA ASP 48 8.788 0.133 -9.896 382 HB2 ASP 48 HB2 ASP 48 7.664 1.939 -8.195 383 HB3 ASP 48 HB3 ASP 48 6.418 1.961 -9.427 384 H LEU 49 H LEU 49 7.577 3.018 -11.332 385 HA LEU 49 HA LEU 49 5.742 2.023 -13.224 386 HB2 LEU 49 HB2 LEU 49 7.405 4.531 -12.998 387 HB3 LEU 49 HB3 LEU 49 6.558 4.228 -14.503 388 HG LEU 49 HG LEU 49 4.987 4.057 -11.938 389 HD11 LEU 49 HD11 LEU 49 5.688 6.643 -13.381 390 HD12 LEU 49 HD12 LEU 49 6.192 6.186 -11.737 391 HD13 LEU 49 HD13 LEU 49 4.482 6.466 -12.092 392 HD21 LEU 49 HD21 LEU 49 3.904 3.318 -13.898 393 HD22 LEU 49 HD22 LEU 49 4.296 4.821 -14.750 394 HD23 LEU 49 HD23 LEU 49 3.193 4.842 -13.345 395 H ILE 50 H ILE 50 9.015 3.246 -14.070 396 HA ILE 50 HA ILE 50 9.192 2.361 -16.632 397 HB ILE 50 HB ILE 50 11.333 2.343 -14.478 398 HG12 ILE 50 HG12 ILE 50 11.302 4.336 -16.755 399 HG13 ILE 50 HG13 ILE 50 10.125 4.530 -15.482 400 HG21 ILE 50 HG21 ILE 50 13.010 2.470 -16.500 401 HG22 ILE 50 HG22 ILE 50 12.291 0.902 -16.112 402 HG23 ILE 50 HG23 ILE 50 11.667 1.832 -17.454 403 HD11 ILE 50 HD11 ILE 50 12.185 4.277 -13.820 404 HD12 ILE 50 HD12 ILE 50 13.185 4.448 -15.253 405 HD13 ILE 50 HD13 ILE 50 12.113 5.770 -14.758 406 H ASP 51 H ASP 51 10.026 0.327 -13.784 407 HA ASP 51 HA ASP 51 10.992 -1.827 -15.136 408 HB2 ASP 51 HB2 ASP 51 10.675 -1.433 -12.588 409 HB3 ASP 51 HB3 ASP 51 9.033 -2.007 -12.792 410 H PHE 52 H PHE 52 7.556 -1.064 -14.611 411 HA PHE 52 HA PHE 52 6.641 -3.503 -16.051 412 HB2 PHE 52 HB2 PHE 52 5.378 -1.189 -14.601 413 HB3 PHE 52 HB3 PHE 52 4.432 -1.987 -15.827 414 HD1 PHE 52 HD1 PHE 52 6.744 -3.436 -13.200 415 HD2 PHE 52 HD2 PHE 52 2.755 -3.224 -14.855 416 HE1 PHE 52 HE1 PHE 52 5.990 -5.171 -11.640 417 HE2 PHE 52 HE2 PHE 52 2.016 -4.979 -13.265 418 HZ PHE 52 HZ PHE 52 3.625 -5.956 -11.650 419 H LEU 53 H LEU 53 7.091 -0.013 -16.603 420 HA LEU 53 HA LEU 53 5.474 0.228 -18.946 421 HB2 LEU 53 HB2 LEU 53 8.030 1.701 -18.231 422 HB3 LEU 53 HB3 LEU 53 6.954 2.243 -19.458 423 HG LEU 53 HG LEU 53 6.742 2.471 -16.548 424 HD11 LEU 53 HD11 LEU 53 5.917 4.608 -16.929 425 HD12 LEU 53 HD12 LEU 53 5.809 4.264 -18.665 426 HD13 LEU 53 HD13 LEU 53 7.385 4.358 -17.863 427 HD21 LEU 53 HD21 LEU 53 4.234 2.260 -18.211 428 HD22 LEU 53 HD22 LEU 53 4.330 2.902 -16.542 429 HD23 LEU 53 HD23 LEU 53 4.718 1.208 -16.847 430 H GLN 54 H GLN 54 8.879 -0.747 -18.580 431 HA GLN 54 HA GLN 54 9.536 -0.842 -21.352 432 HB2 GLN 54 HB2 GLN 54 10.524 -2.816 -19.274 433 HB3 GLN 54 HB3 GLN 54 11.363 -2.286 -20.724 434 HG2 GLN 54 HG2 GLN 54 10.953 0.031 -19.114 435 HG3 GLN 54 HG3 GLN 54 11.377 -1.248 -17.994 436 HE21 GLN 54 HE21 GLN 54 12.786 1.208 -19.028 437 HE22 GLN 54 HE22 GLN 54 14.379 0.644 -19.563 438 H GLN 55 H GLN 55 8.094 -3.276 -19.197 439 HA GLN 55 HA GLN 55 7.907 -5.398 -21.105 440 HB2 GLN 55 HB2 GLN 55 6.230 -5.051 -18.599 441 HB3 GLN 55 HB3 GLN 55 6.703 -6.549 -19.374 442 HG2 GLN 55 HG2 GLN 55 8.510 -4.618 -17.902 443 HG3 GLN 55 HG3 GLN 55 7.910 -6.143 -17.274 444 HE21 GLN 55 HE21 GLN 55 8.734 -8.120 -18.183 445 HE22 GLN 55 HE22 GLN 55 10.253 -8.175 -19.067 446 H LEU 56 H LEU 56 5.679 -2.847 -20.039 447 HA LEU 56 HA LEU 56 3.286 -3.840 -21.171 448 HB2 LEU 56 HB2 LEU 56 4.294 -1.263 -20.093 449 HB3 LEU 56 HB3 LEU 56 3.147 -1.051 -21.414 450 HG LEU 56 HG LEU 56 1.624 -2.692 -20.235 451 HD11 LEU 56 HD11 LEU 56 3.360 -2.113 -17.813 452 HD12 LEU 56 HD12 LEU 56 3.288 -3.673 -18.647 453 HD13 LEU 56 HD13 LEU 56 1.849 -3.048 -17.830 454 HD21 LEU 56 HD21 LEU 56 0.709 -1.028 -18.675 455 HD22 LEU 56 HD22 LEU 56 1.155 -0.324 -20.230 456 HD23 LEU 56 HD23 LEU 56 2.211 -0.072 -18.832 457 H ASP 57 H ASP 57 5.763 -1.635 -22.537 458 HA ASP 57 HA ASP 57 4.501 -1.649 -25.166 459 HB2 ASP 57 HB2 ASP 57 5.883 0.186 -24.120 460 HB3 ASP 57 HB3 ASP 57 7.320 -0.786 -24.453 461 H ALA 58 H ALA 58 6.966 -3.553 -23.497 462 HA ALA 58 HA ALA 58 8.174 -5.338 -24.018 463 HB1 ALA 58 HB1 ALA 58 7.188 -7.078 -25.397 464 HB2 ALA 58 HB2 ALA 58 5.939 -6.315 -24.394 465 HB3 ALA 58 HB3 ALA 58 6.052 -5.911 -26.119 466 H LYS 59 H LYS 59 8.830 -2.835 -25.265 467 HA LYS 59 HA LYS 59 10.509 -3.781 -27.483 468 HB2 LYS 59 HB2 LYS 59 8.652 -2.695 -28.637 469 HB3 LYS 59 HB3 LYS 59 8.652 -1.353 -27.491 470 HG2 LYS 59 HG2 LYS 59 9.643 -0.628 -29.578 471 HG3 LYS 59 HG3 LYS 59 10.851 -0.601 -28.297 472 HD2 LYS 59 HD2 LYS 59 11.582 -2.942 -29.194 473 HD3 LYS 59 HD3 LYS 59 10.599 -2.564 -30.608 474 HE2 LYS 59 HE2 LYS 59 12.885 -0.886 -29.465 475 HE3 LYS 59 HE3 LYS 59 13.031 -1.985 -30.830 476 HZ1 LYS 59 HZ1 LYS 59 12.763 0.217 -31.613 477 HZ2 LYS 59 HZ2 LYS 59 11.431 0.500 -30.723 478 HZ3 LYS 59 HZ3 LYS 59 11.376 -0.570 -31.986 479 H GLU 60 H GLU 60 12.567 -3.000 -27.259 480 HA GLU 60 HA GLU 60 13.163 -0.815 -25.397 481 HB2 GLU 60 HB2 GLU 60 14.293 -3.651 -25.418 482 HB3 GLU 60 HB3 GLU 60 15.017 -2.302 -24.546 483 HG2 GLU 60 HG2 GLU 60 13.157 -2.145 -23.024 484 HG3 GLU 60 HG3 GLU 60 12.163 -3.189 -24.012 485 H GLU 61 H GLU 61 15.445 0.002 -25.972 486 HA GLU 61 HA GLU 61 16.584 -0.993 -28.444 487 HB2 GLU 61 HB2 GLU 61 16.405 1.009 -29.750 488 HB3 GLU 61 HB3 GLU 61 14.778 0.492 -29.311 489 HG2 GLU 61 HG2 GLU 61 14.713 2.209 -27.520 490 HG3 GLU 61 HG3 GLU 61 16.352 2.729 -27.956 491 H THR 62 H THR 62 18.485 0.727 -29.028 492 HA THR 62 HA THR 62 20.337 0.574 -26.946 493 HB THR 62 HB THR 62 20.454 2.506 -29.294 494 HG1 THR 62 HG1 THR 62 20.706 0.949 -30.660 495 HG21 THR 62 HG21 THR 62 22.831 1.561 -29.398 496 HG22 THR 62 HG22 THR 62 22.496 0.733 -27.873 497 HG23 THR 62 HG23 THR 62 22.452 2.504 -27.963 498 H GLN 63 H GLN 63 21.458 2.273 -25.759 499 HA GLN 63 HA GLN 63 19.591 4.346 -24.789 500 HB2 GLN 63 HB2 GLN 63 22.285 3.336 -23.750 501 HB3 GLN 63 HB3 GLN 63 21.360 4.665 -23.055 502 HG2 GLN 63 HG2 GLN 63 19.402 2.919 -22.896 503 HG3 GLN 63 HG3 GLN 63 20.698 1.718 -23.029 504 HE21 GLN 63 HE21 GLN 63 19.839 4.743 -21.284 505 HE22 GLN 63 HE22 GLN 63 20.510 4.340 -19.742 Start of MODEL 20 1 H1 MET 1 H MET 1 3.025 1.413 0.027 2 HA MET 1 HA MET 1 3.388 -0.245 -1.773 3 HB2 MET 1 HB2 MET 1 1.746 -2.007 -0.851 4 HB3 MET 1 HB3 MET 1 2.939 -1.306 0.229 5 HG2 MET 1 HG2 MET 1 1.213 0.282 1.077 6 HG3 MET 1 HG3 MET 1 -0.005 -0.552 0.117 7 HE1 MET 1 HE1 MET 1 0.329 0.295 3.251 8 HE2 MET 1 HE2 MET 1 -1.185 -0.331 2.564 9 HE3 MET 1 HE3 MET 1 -0.511 -1.045 4.047 10 H LYS 2 H LYS 2 2.862 0.952 -3.745 11 HA LYS 2 HA LYS 2 0.273 0.058 -4.893 12 HB2 LYS 2 HB2 LYS 2 0.135 2.408 -4.066 13 HB3 LYS 2 HB3 LYS 2 1.471 2.831 -5.142 14 HG2 LYS 2 HG2 LYS 2 0.104 2.206 -7.087 15 HG3 LYS 2 HG3 LYS 2 -1.259 1.756 -6.051 16 HD2 LYS 2 HD2 LYS 2 -0.789 4.250 -5.090 17 HD3 LYS 2 HD3 LYS 2 -0.069 4.485 -6.673 18 HE2 LYS 2 HE2 LYS 2 -2.121 4.119 -7.797 19 HE3 LYS 2 HE3 LYS 2 -2.873 3.373 -6.371 20 HZ1 LYS 2 HZ1 LYS 2 -2.862 5.492 -5.262 21 HZ2 LYS 2 HZ2 LYS 2 -3.588 5.709 -6.718 22 HZ3 LYS 2 HZ3 LYS 2 -2.060 6.227 -6.473 23 H ASN 3 H ASN 3 0.913 -1.334 -6.384 24 HA ASN 3 HA ASN 3 3.465 -1.468 -7.618 25 HB2 ASN 3 HB2 ASN 3 1.208 -2.606 -9.190 26 HB3 ASN 3 HB3 ASN 3 2.695 -3.364 -8.656 27 HD21 ASN 3 HD21 ASN 3 -0.681 -3.170 -8.154 28 HD22 ASN 3 HD22 ASN 3 -0.762 -3.882 -6.567 29 H ALA 4 H ALA 4 4.047 -0.968 -9.848 30 HA ALA 4 HA ALA 4 3.608 1.497 -10.839 31 HB1 ALA 4 HB1 ALA 4 4.162 -1.070 -12.331 32 HB2 ALA 4 HB2 ALA 4 4.365 0.553 -13.013 33 HB3 ALA 4 HB3 ALA 4 5.346 0.034 -11.623 34 H ALA 5 H ALA 5 1.871 -1.428 -11.763 35 HA ALA 5 HA ALA 5 0.283 -0.409 -13.776 36 HB1 ALA 5 HB1 ALA 5 -1.272 -2.309 -13.285 37 HB2 ALA 5 HB2 ALA 5 0.434 -2.795 -13.348 38 HB3 ALA 5 HB3 ALA 5 -0.377 -2.596 -11.778 39 H GLN 6 H GLN 6 -0.408 -0.316 -10.247 40 HA GLN 6 HA GLN 6 -3.037 0.796 -10.518 41 HB2 GLN 6 HB2 GLN 6 -0.972 0.857 -8.295 42 HB3 GLN 6 HB3 GLN 6 -2.613 1.529 -8.135 43 HG2 GLN 6 HG2 GLN 6 -3.442 -0.764 -8.745 44 HG3 GLN 6 HG3 GLN 6 -1.785 -1.352 -8.552 45 HE21 GLN 6 HE21 GLN 6 -1.006 -1.598 -6.401 46 HE22 GLN 6 HE22 GLN 6 -1.968 -1.208 -4.984 47 H ILE 7 H ILE 7 0.244 2.155 -10.290 48 HA ILE 7 HA ILE 7 -0.597 4.868 -9.906 49 HB ILE 7 HB ILE 7 2.066 4.028 -11.156 50 HG12 ILE 7 HG12 ILE 7 1.088 3.609 -8.365 51 HG13 ILE 7 HG13 ILE 7 2.136 2.618 -9.373 52 HG21 ILE 7 HG21 ILE 7 1.366 6.465 -11.055 53 HG22 ILE 7 HG22 ILE 7 1.188 6.299 -9.293 54 HG23 ILE 7 HG23 ILE 7 2.781 6.153 -10.059 55 HD11 ILE 7 HD11 ILE 7 2.941 5.203 -7.958 56 HD12 ILE 7 HD12 ILE 7 3.359 3.572 -7.472 57 HD13 ILE 7 HD13 ILE 7 3.982 4.214 -9.015 58 H VAL 8 H VAL 8 0.266 2.913 -12.725 59 HA VAL 8 HA VAL 8 -0.085 4.993 -14.661 60 HB VAL 8 HB VAL 8 -0.165 1.973 -14.929 61 HG11 VAL 8 HG11 VAL 8 -1.341 2.966 -16.861 62 HG12 VAL 8 HG12 VAL 8 0.091 3.972 -17.202 63 HG13 VAL 8 HG13 VAL 8 0.176 2.203 -17.318 64 HG21 VAL 8 HG21 VAL 8 2.012 2.701 -14.238 65 HG22 VAL 8 HG22 VAL 8 2.096 2.316 -15.954 66 HG23 VAL 8 HG23 VAL 8 1.988 4.011 -15.405 67 H ASP 9 H ASP 9 -2.355 2.475 -13.413 68 HA ASP 9 HA ASP 9 -4.577 3.163 -15.012 69 HB2 ASP 9 HB2 ASP 9 -4.138 1.707 -12.440 70 HB3 ASP 9 HB3 ASP 9 -5.734 2.391 -12.658 71 H GLU 10 H GLU 10 -3.518 4.471 -11.878 72 HA GLU 10 HA GLU 10 -5.694 6.271 -11.433 73 HB2 GLU 10 HB2 GLU 10 -2.809 6.072 -10.525 74 HB3 GLU 10 HB3 GLU 10 -3.761 7.463 -10.071 75 HG2 GLU 10 HG2 GLU 10 -5.017 4.709 -9.701 76 HG3 GLU 10 HG3 GLU 10 -3.677 5.140 -8.665 77 H ALA 11 H ALA 11 -2.634 6.667 -13.258 78 HA ALA 11 HA ALA 11 -3.116 9.514 -13.682 79 HB1 ALA 11 HB1 ALA 11 -0.898 8.168 -13.700 80 HB2 ALA 11 HB2 ALA 11 -1.355 7.749 -15.370 81 HB3 ALA 11 HB3 ALA 11 -1.079 9.443 -14.915 82 H LEU 12 H LEU 12 -3.705 6.500 -15.454 83 HA LEU 12 HA LEU 12 -4.596 7.545 -17.935 84 HB2 LEU 12 HB2 LEU 12 -4.148 5.183 -17.784 85 HB3 LEU 12 HB3 LEU 12 -5.214 4.995 -16.400 86 HG LEU 12 HG LEU 12 -7.158 5.500 -17.799 87 HD11 LEU 12 HD11 LEU 12 -5.941 6.836 -19.592 88 HD12 LEU 12 HD12 LEU 12 -6.967 5.578 -20.232 89 HD13 LEU 12 HD13 LEU 12 -5.208 5.321 -20.156 90 HD21 LEU 12 HD21 LEU 12 -5.415 3.219 -18.879 91 HD22 LEU 12 HD22 LEU 12 -7.183 3.339 -19.006 92 HD23 LEU 12 HD23 LEU 12 -6.424 3.151 -17.423 93 H ASN 13 H ASN 13 -6.209 6.974 -14.886 94 HA ASN 13 HA ASN 13 -8.886 7.412 -15.432 95 HB2 ASN 13 HB2 ASN 13 -7.525 6.888 -13.207 96 HB3 ASN 13 HB3 ASN 13 -7.576 8.633 -12.999 97 HD21 ASN 13 HD21 ASN 13 -9.350 5.682 -12.755 98 HD22 ASN 13 HD22 ASN 13 -10.834 6.368 -12.128 99 H GLN 14 H GLN 14 -6.243 9.823 -15.061 100 HA GLN 14 HA GLN 14 -8.078 12.103 -15.251 101 HB2 GLN 14 HB2 GLN 14 -5.060 12.170 -15.331 102 HB3 GLN 14 HB3 GLN 14 -6.197 13.403 -14.808 103 HG2 GLN 14 HG2 GLN 14 -6.758 11.494 -12.962 104 HG3 GLN 14 HG3 GLN 14 -5.154 10.944 -13.422 105 HE21 GLN 14 HE21 GLN 14 -4.671 11.337 -11.148 106 HE22 GLN 14 HE22 GLN 14 -4.191 12.938 -10.651 107 H GLY 15 H GLY 15 -6.337 10.060 -17.411 108 HA2 GLY 15 HA2 GLY 15 -6.617 10.207 -19.759 109 HA3 GLY 15 HA3 GLY 15 -6.744 11.966 -19.666 110 H ILE 16 H ILE 16 -4.136 10.220 -17.871 111 HA ILE 16 HA ILE 16 -2.209 11.091 -19.931 112 HB ILE 16 HB ILE 16 -2.020 12.766 -18.371 113 HG12 ILE 16 HG12 ILE 16 0.072 11.613 -19.131 114 HG13 ILE 16 HG13 ILE 16 0.155 12.834 -17.883 115 HG21 ILE 16 HG21 ILE 16 -3.264 12.112 -16.510 116 HG22 ILE 16 HG22 ILE 16 -2.110 10.838 -16.115 117 HG23 ILE 16 HG23 ILE 16 -1.636 12.547 -15.972 118 HD11 ILE 16 HD11 ILE 16 0.360 11.113 -16.155 119 HD12 ILE 16 HD12 ILE 16 0.264 9.853 -17.411 120 HD13 ILE 16 HD13 ILE 16 1.609 11.000 -17.397 121 H THR 17 H THR 17 -0.825 9.665 -20.532 122 HA THR 17 HA THR 17 -0.854 6.955 -19.356 123 HB THR 17 HB THR 17 0.452 7.553 -21.987 124 HG1 THR 17 HG1 THR 17 -1.364 7.678 -23.129 125 HG21 THR 17 HG21 THR 17 -0.805 5.467 -22.607 126 HG22 THR 17 HG22 THR 17 -1.522 5.454 -21.002 127 HG23 THR 17 HG23 THR 17 0.241 5.247 -21.188 128 H LEU 18 H LEU 18 1.117 5.762 -19.189 129 HA LEU 18 HA LEU 18 3.530 7.443 -18.805 130 HB2 LEU 18 HB2 LEU 18 2.683 5.037 -17.081 131 HB3 LEU 18 HB3 LEU 18 4.189 5.922 -17.021 132 HG LEU 18 HG LEU 18 2.871 6.597 -15.224 133 HD11 LEU 18 HD11 LEU 18 2.601 8.895 -17.150 134 HD12 LEU 18 HD12 LEU 18 4.173 8.388 -16.453 135 HD13 LEU 18 HD13 LEU 18 2.846 8.955 -15.404 136 HD21 LEU 18 HD21 LEU 18 0.668 6.007 -16.365 137 HD22 LEU 18 HD22 LEU 18 0.637 7.701 -16.844 138 HD23 LEU 18 HD23 LEU 18 0.769 7.260 -15.116 139 H PHE 19 H PHE 19 5.094 6.770 -20.124 140 HA PHE 19 HA PHE 19 5.301 3.886 -20.828 141 HB2 PHE 19 HB2 PHE 19 5.095 6.156 -22.821 142 HB3 PHE 19 HB3 PHE 19 5.764 4.595 -23.247 143 HD1 PHE 19 HD1 PHE 19 3.020 6.302 -23.963 144 HD2 PHE 19 HD2 PHE 19 4.003 2.617 -21.923 145 HE1 PHE 19 HE1 PHE 19 0.751 5.422 -24.393 146 HE2 PHE 19 HE2 PHE 19 1.718 1.803 -22.283 147 HZ PHE 19 HZ PHE 19 0.069 3.210 -23.517 148 H VAL 20 H VAL 20 7.470 3.521 -22.139 149 HA VAL 20 HA VAL 20 9.603 5.074 -20.776 150 HB VAL 20 HB VAL 20 9.121 2.103 -20.815 151 HG11 VAL 20 HG11 VAL 20 11.969 3.146 -21.156 152 HG12 VAL 20 HG12 VAL 20 11.437 1.488 -20.779 153 HG13 VAL 20 HG13 VAL 20 11.079 2.171 -22.351 154 HG21 VAL 20 HG21 VAL 20 9.224 3.732 -18.840 155 HG22 VAL 20 HG22 VAL 20 10.142 2.218 -18.757 156 HG23 VAL 20 HG23 VAL 20 10.972 3.750 -19.106 157 H ALA 21 H ALA 21 11.321 5.677 -21.933 158 HA ALA 21 HA ALA 21 11.998 4.909 -24.600 159 HB1 ALA 21 HB1 ALA 21 10.799 7.678 -24.086 160 HB2 ALA 21 HB2 ALA 21 11.722 7.215 -25.521 161 HB3 ALA 21 HB3 ALA 21 10.163 6.438 -25.188 162 H ASP 22 H ASP 22 14.177 6.027 -25.006 163 HA ASP 22 HA ASP 22 16.229 6.673 -24.195 164 HB2 ASP 22 HB2 ASP 22 14.299 8.654 -23.841 165 HB3 ASP 22 HB3 ASP 22 15.010 8.590 -22.258 166 H ASN 23 H ASN 23 14.788 4.446 -22.665 167 HA ASN 23 HA ASN 23 14.829 3.256 -20.836 168 HB2 ASN 23 HB2 ASN 23 17.255 3.248 -21.681 169 HB3 ASN 23 HB3 ASN 23 17.616 4.354 -20.350 170 HD21 ASN 23 HD21 ASN 23 16.100 1.134 -21.100 171 HD22 ASN 23 HD22 ASN 23 16.592 0.428 -19.565 172 H ARG 24 H ARG 24 13.729 5.967 -20.535 173 HA ARG 24 HA ARG 24 13.862 6.172 -17.573 174 HB2 ARG 24 HB2 ARG 24 14.191 8.520 -17.655 175 HB3 ARG 24 HB3 ARG 24 15.290 7.905 -18.884 176 HG2 ARG 24 HG2 ARG 24 13.463 8.324 -20.572 177 HG3 ARG 24 HG3 ARG 24 12.557 9.199 -19.322 178 HD2 ARG 24 HD2 ARG 24 15.351 9.840 -20.272 179 HD3 ARG 24 HD3 ARG 24 13.887 10.567 -20.933 180 HE ARG 24 HE ARG 24 13.869 10.893 -18.110 181 HH11 ARG 24 HH11 ARG 24 15.536 11.978 -20.995 182 HH12 ARG 24 HH12 ARG 24 15.920 13.552 -20.446 183 HH21 ARG 24 HH21 ARG 24 14.310 13.011 -17.269 184 HH22 ARG 24 HH22 ARG 24 14.979 14.235 -18.331 185 H LEU 25 H LEU 25 12.048 7.671 -16.825 186 HA LEU 25 HA LEU 25 9.535 6.535 -17.672 187 HB2 LEU 25 HB2 LEU 25 10.369 7.098 -15.315 188 HB3 LEU 25 HB3 LEU 25 10.155 8.785 -15.698 189 HG LEU 25 HG LEU 25 8.383 7.918 -14.306 190 HD11 LEU 25 HD11 LEU 25 6.969 8.311 -16.924 191 HD12 LEU 25 HD12 LEU 25 7.824 9.646 -16.129 192 HD13 LEU 25 HD13 LEU 25 6.505 8.796 -15.284 193 HD21 LEU 25 HD21 LEU 25 8.397 5.572 -15.007 194 HD22 LEU 25 HD22 LEU 25 7.682 6.036 -16.569 195 HD23 LEU 25 HD23 LEU 25 6.766 6.259 -15.069 196 H GLN 26 H GLN 26 8.144 7.426 -19.197 197 HA GLN 26 HA GLN 26 8.235 10.310 -19.800 198 HB2 GLN 26 HB2 GLN 26 8.481 7.977 -21.696 199 HB3 GLN 26 HB3 GLN 26 7.345 9.241 -22.106 200 HG2 GLN 26 HG2 GLN 26 9.092 10.297 -23.021 201 HG3 GLN 26 HG3 GLN 26 9.328 10.849 -21.389 202 HE21 GLN 26 HE21 GLN 26 10.304 7.700 -21.198 203 HE22 GLN 26 HE22 GLN 26 11.966 8.085 -21.532 204 H TYR 27 H TYR 27 6.169 11.020 -20.746 205 HA TYR 27 HA TYR 27 3.854 9.381 -20.037 206 HB2 TYR 27 HB2 TYR 27 2.945 11.700 -19.035 207 HB3 TYR 27 HB3 TYR 27 3.697 10.481 -18.033 208 HD1 TYR 27 HD1 TYR 27 5.983 10.773 -17.161 209 HD2 TYR 27 HD2 TYR 27 4.086 13.807 -19.547 210 HE1 TYR 27 HE1 TYR 27 7.757 12.378 -16.511 211 HE2 TYR 27 HE2 TYR 27 5.821 15.440 -18.874 212 HH TYR 27 HH TYR 27 7.744 15.779 -17.663 213 H GLU 28 H GLU 28 1.964 10.080 -21.017 214 HA GLU 28 HA GLU 28 2.209 12.176 -23.131 215 HB2 GLU 28 HB2 GLU 28 2.798 9.964 -24.121 216 HB3 GLU 28 HB3 GLU 28 1.267 9.299 -23.564 217 HG2 GLU 28 HG2 GLU 28 1.158 9.904 -25.947 218 HG3 GLU 28 HG3 GLU 28 0.010 10.835 -24.988 219 H THR 29 H THR 29 0.393 13.485 -23.098 220 HA THR 29 HA THR 29 -2.204 12.344 -22.368 221 HB THR 29 HB THR 29 -1.136 13.153 -20.281 222 HG1 THR 29 HG1 THR 29 -3.415 13.212 -20.513 223 HG21 THR 29 HG21 THR 29 -0.957 15.564 -19.804 224 HG22 THR 29 HG22 THR 29 -1.291 15.926 -21.505 225 HG23 THR 29 HG23 THR 29 0.186 15.052 -21.052 226 H SER 30 H SER 30 -3.911 14.053 -22.639 227 HA SER 30 HA SER 30 -3.448 15.681 -25.087 228 HB2 SER 30 HB2 SER 30 -5.600 13.785 -24.232 229 HB3 SER 30 HB3 SER 30 -6.157 15.282 -24.985 230 HG SER 30 HG SER 30 -5.246 14.809 -26.790 231 H ARG 31 H ARG 31 -3.343 16.189 -21.906 232 HA ARG 31 HA ARG 31 -5.363 18.299 -21.590 233 HB2 ARG 31 HB2 ARG 31 -2.934 17.435 -19.965 234 HB3 ARG 31 HB3 ARG 31 -4.041 18.697 -19.454 235 HG2 ARG 31 HG2 ARG 31 -5.880 17.148 -19.254 236 HG3 ARG 31 HG3 ARG 31 -4.939 15.839 -19.975 237 HD2 ARG 31 HD2 ARG 31 -4.802 15.286 -17.791 238 HD3 ARG 31 HD3 ARG 31 -3.312 16.226 -17.948 239 HE ARG 31 HE ARG 31 -5.214 18.092 -17.186 240 HH11 ARG 31 HH11 ARG 31 -4.158 15.017 -15.737 241 HH12 ARG 31 HH12 ARG 31 -4.650 15.451 -14.126 242 HH21 ARG 31 HH21 ARG 31 -5.842 18.650 -15.050 243 HH22 ARG 31 HH22 ARG 31 -5.499 17.594 -13.723 244 H ASP 32 H ASP 32 -4.681 20.539 -21.198 245 HA ASP 32 HA ASP 32 -3.036 21.627 -23.194 246 HB2 ASP 32 HB2 ASP 32 -3.465 23.716 -22.091 247 HB3 ASP 32 HB3 ASP 32 -4.917 22.719 -21.968 248 H ASN 33 H ASN 33 -2.350 20.771 -19.856 249 HA ASN 33 HA ASN 33 0.570 20.961 -20.119 250 HB2 ASN 33 HB2 ASN 33 -1.155 22.506 -18.096 251 HB3 ASN 33 HB3 ASN 33 0.538 22.161 -17.820 252 HD21 ASN 33 HD21 ASN 33 -1.674 24.311 -19.572 253 HD22 ASN 33 HD22 ASN 33 -0.340 25.352 -20.062 254 H ILE 34 H ILE 34 1.222 20.206 -17.537 255 HA ILE 34 HA ILE 34 -0.633 18.163 -16.679 256 HB ILE 34 HB ILE 34 1.035 16.993 -18.088 257 HG12 ILE 34 HG12 ILE 34 1.997 15.493 -16.133 258 HG13 ILE 34 HG13 ILE 34 1.068 16.534 -15.046 259 HG21 ILE 34 HG21 ILE 34 3.137 17.968 -16.152 260 HG22 ILE 34 HG22 ILE 34 3.362 16.900 -17.559 261 HG23 ILE 34 HG23 ILE 34 2.928 18.594 -17.806 262 HD11 ILE 34 HD11 ILE 34 -0.249 14.541 -15.746 263 HD12 ILE 34 HD12 ILE 34 -0.991 16.013 -16.433 264 HD13 ILE 34 HD13 ILE 34 -0.011 14.967 -17.459 265 HA PRO 35 HA PRO 35 0.436 20.688 -13.203 266 HB2 PRO 35 HB2 PRO 35 -0.604 19.085 -11.198 267 HB3 PRO 35 HB3 PRO 35 -1.590 20.209 -12.212 268 HG2 PRO 35 HG2 PRO 35 -1.172 17.275 -12.323 269 HG3 PRO 35 HG3 PRO 35 -2.678 18.174 -12.688 270 HD2 PRO 35 HD2 PRO 35 -0.960 17.128 -14.555 271 HD3 PRO 35 HD3 PRO 35 -1.976 18.558 -14.875 272 H GLU 36 H GLU 36 1.989 20.733 -11.530 273 HA GLU 36 HA GLU 36 4.200 18.966 -11.820 274 HB2 GLU 36 HB2 GLU 36 5.121 20.126 -9.861 275 HB3 GLU 36 HB3 GLU 36 4.462 21.219 -11.118 276 HG2 GLU 36 HG2 GLU 36 2.304 21.286 -9.650 277 HG3 GLU 36 HG3 GLU 36 3.249 20.487 -8.408 278 H GLU 37 H GLU 37 1.454 18.894 -9.636 279 HA GLU 37 HA GLU 37 2.562 17.142 -7.650 280 HB2 GLU 37 HB2 GLU 37 0.022 16.687 -7.250 281 HB3 GLU 37 HB3 GLU 37 0.707 18.271 -6.884 282 HG2 GLU 37 HG2 GLU 37 -0.149 19.215 -8.954 283 HG3 GLU 37 HG3 GLU 37 -0.669 17.620 -9.512 284 H LEU 38 H LEU 38 0.869 16.600 -10.769 285 HA LEU 38 HA LEU 38 0.648 13.729 -10.476 286 HB2 LEU 38 HB2 LEU 38 0.566 15.730 -12.733 287 HB3 LEU 38 HB3 LEU 38 0.753 14.069 -13.157 288 HG LEU 38 HG LEU 38 -1.586 15.196 -13.156 289 HD11 LEU 38 HD11 LEU 38 -1.468 12.477 -11.908 290 HD12 LEU 38 HD12 LEU 38 -1.020 12.765 -13.612 291 HD13 LEU 38 HD13 LEU 38 -2.649 13.101 -13.071 292 HD21 LEU 38 HD21 LEU 38 -2.912 14.937 -11.121 293 HD22 LEU 38 HD22 LEU 38 -1.493 15.900 -10.700 294 HD23 LEU 38 HD23 LEU 38 -1.543 14.195 -10.260 295 H LEU 39 H LEU 39 2.930 15.962 -12.112 296 HA LEU 39 HA LEU 39 4.695 13.925 -13.045 297 HB2 LEU 39 HB2 LEU 39 5.289 16.821 -12.286 298 HB3 LEU 39 HB3 LEU 39 6.442 15.732 -13.056 299 HG LEU 39 HG LEU 39 3.847 16.778 -14.244 300 HD11 LEU 39 HD11 LEU 39 6.781 17.050 -15.057 301 HD12 LEU 39 HD12 LEU 39 5.793 18.315 -14.281 302 HD13 LEU 39 HD13 LEU 39 5.411 17.759 -15.914 303 HD21 LEU 39 HD21 LEU 39 4.608 15.514 -16.312 304 HD22 LEU 39 HD22 LEU 39 3.997 14.493 -15.020 305 HD23 LEU 39 HD23 LEU 39 5.759 14.653 -15.281 306 H ASN 40 H ASN 40 4.755 15.730 -9.964 307 HA ASN 40 HA ASN 40 7.143 14.476 -9.058 308 HB2 ASN 40 HB2 ASN 40 4.975 16.117 -7.774 309 HB3 ASN 40 HB3 ASN 40 6.126 15.242 -6.751 310 HD21 ASN 40 HD21 ASN 40 5.650 18.120 -8.395 311 HD22 ASN 40 HD22 ASN 40 7.326 18.697 -8.370 312 H GLU 41 H GLU 41 3.721 13.463 -8.747 313 HA GLU 41 HA GLU 41 4.397 11.411 -6.841 314 HB2 GLU 41 HB2 GLU 41 2.080 12.521 -7.849 315 HB3 GLU 41 HB3 GLU 41 2.056 10.957 -8.642 316 HG2 GLU 41 HG2 GLU 41 0.853 10.758 -6.567 317 HG3 GLU 41 HG3 GLU 41 2.349 9.835 -6.431 318 H TRP 42 H TRP 42 3.869 11.414 -10.395 319 HA TRP 42 HA TRP 42 4.501 8.643 -10.746 320 HB2 TRP 42 HB2 TRP 42 4.866 10.915 -12.693 321 HB3 TRP 42 HB3 TRP 42 4.749 9.204 -13.082 322 HD1 TRP 42 HD1 TRP 42 2.924 11.221 -14.467 323 HE1 TRP 42 HE1 TRP 42 0.375 11.197 -14.223 324 HE3 TRP 42 HE3 TRP 42 2.463 8.750 -9.950 325 HZ2 TRP 42 HZ2 TRP 42 -1.578 10.353 -12.323 326 HZ3 TRP 42 HZ3 TRP 42 0.241 8.448 -8.949 327 HH2 TRP 42 HH2 TRP 42 -1.793 9.223 -10.124 328 H LYS 43 H LYS 43 6.627 11.575 -10.724 329 HA LYS 43 HA LYS 43 9.048 10.303 -11.466 330 HB2 LYS 43 HB2 LYS 43 8.274 12.720 -9.822 331 HB3 LYS 43 HB3 LYS 43 9.966 12.229 -9.967 332 HG2 LYS 43 HG2 LYS 43 9.923 12.563 -12.344 333 HG3 LYS 43 HG3 LYS 43 8.227 12.805 -12.372 334 HD2 LYS 43 HD2 LYS 43 9.322 14.937 -12.569 335 HD3 LYS 43 HD3 LYS 43 8.382 14.870 -11.081 336 HE2 LYS 43 HE2 LYS 43 11.335 14.207 -11.023 337 HE3 LYS 43 HE3 LYS 43 10.826 15.894 -11.156 338 HZ1 LYS 43 HZ1 LYS 43 11.209 15.242 -8.896 339 HZ2 LYS 43 HZ2 LYS 43 10.024 14.111 -8.927 340 HZ3 LYS 43 HZ3 LYS 43 9.636 15.690 -9.074 341 H TYR 44 H TYR 44 7.318 10.571 -8.339 342 HA TYR 44 HA TYR 44 9.424 9.772 -6.672 343 HB2 TYR 44 HB2 TYR 44 7.078 10.585 -6.012 344 HB3 TYR 44 HB3 TYR 44 6.537 8.925 -6.226 345 HD1 TYR 44 HD1 TYR 44 7.842 11.263 -3.906 346 HD2 TYR 44 HD2 TYR 44 7.902 7.072 -4.913 347 HE1 TYR 44 HE1 TYR 44 8.757 10.733 -1.672 348 HE2 TYR 44 HE2 TYR 44 8.912 6.540 -2.735 349 HH TYR 44 HH TYR 44 9.906 9.067 -0.467 350 H TYR 45 H TYR 45 7.108 7.720 -8.515 351 HA TYR 45 HA TYR 45 8.647 5.306 -7.828 352 HB2 TYR 45 HB2 TYR 45 5.799 5.766 -8.742 353 HB3 TYR 45 HB3 TYR 45 6.538 4.187 -8.646 354 HD1 TYR 45 HD1 TYR 45 7.222 3.157 -6.541 355 HD2 TYR 45 HD2 TYR 45 5.155 6.949 -6.633 356 HE1 TYR 45 HE1 TYR 45 6.826 2.980 -4.128 357 HE2 TYR 45 HE2 TYR 45 4.712 6.764 -4.212 358 HH TYR 45 HH TYR 45 4.890 5.387 -2.304 359 H ARG 46 H ARG 46 9.398 7.438 -10.008 360 HA ARG 46 HA ARG 46 8.820 6.496 -12.519 361 HB2 ARG 46 HB2 ARG 46 10.583 7.684 -13.351 362 HB3 ARG 46 HB3 ARG 46 10.239 8.546 -11.890 363 HG2 ARG 46 HG2 ARG 46 12.452 6.465 -12.213 364 HG3 ARG 46 HG3 ARG 46 12.682 8.183 -12.485 365 HD2 ARG 46 HD2 ARG 46 12.120 8.800 -10.311 366 HD3 ARG 46 HD3 ARG 46 11.504 7.189 -9.886 367 HE ARG 46 HE ARG 46 14.361 7.431 -10.492 368 HH11 ARG 46 HH11 ARG 46 11.839 7.617 -7.917 369 HH12 ARG 46 HH12 ARG 46 12.986 7.358 -6.657 370 HH21 ARG 46 HH21 ARG 46 15.779 6.795 -8.697 371 HH22 ARG 46 HH22 ARG 46 15.174 6.911 -7.080 372 H GLN 47 H GLN 47 11.342 5.133 -10.313 373 HA GLN 47 HA GLN 47 12.277 3.303 -12.289 374 HB2 GLN 47 HB2 GLN 47 13.275 4.249 -9.943 375 HB3 GLN 47 HB3 GLN 47 12.633 2.710 -9.368 376 HG2 GLN 47 HG2 GLN 47 14.564 3.138 -11.674 377 HG3 GLN 47 HG3 GLN 47 15.000 2.562 -10.068 378 HE21 GLN 47 HE21 GLN 47 14.053 1.503 -13.251 379 HE22 GLN 47 HE22 GLN 47 13.637 -0.133 -12.771 380 H ASP 48 H ASP 48 9.956 3.039 -9.539 381 HA ASP 48 HA ASP 48 9.483 0.233 -9.830 382 HB2 ASP 48 HB2 ASP 48 8.751 2.115 -8.020 383 HB3 ASP 48 HB3 ASP 48 7.294 2.095 -8.984 384 H LEU 49 H LEU 49 8.133 3.025 -11.351 385 HA LEU 49 HA LEU 49 6.070 1.791 -12.905 386 HB2 LEU 49 HB2 LEU 49 7.397 4.509 -12.937 387 HB3 LEU 49 HB3 LEU 49 6.609 3.957 -14.377 388 HG LEU 49 HG LEU 49 4.773 3.504 -12.192 389 HD11 LEU 49 HD11 LEU 49 4.337 5.927 -11.676 390 HD12 LEU 49 HD12 LEU 49 5.882 6.342 -12.445 391 HD13 LEU 49 HD13 LEU 49 5.841 5.325 -10.988 392 HD21 LEU 49 HD21 LEU 49 4.686 5.401 -14.530 393 HD22 LEU 49 HD22 LEU 49 3.317 4.851 -13.527 394 HD23 LEU 49 HD23 LEU 49 4.206 3.684 -14.520 395 H ILE 50 H ILE 50 9.242 3.184 -13.968 396 HA ILE 50 HA ILE 50 9.245 2.351 -16.547 397 HB ILE 50 HB ILE 50 11.537 2.466 -14.541 398 HG12 ILE 50 HG12 ILE 50 11.378 4.238 -16.976 399 HG13 ILE 50 HG13 ILE 50 10.253 4.543 -15.683 400 HG21 ILE 50 HG21 ILE 50 11.756 1.704 -17.472 401 HG22 ILE 50 HG22 ILE 50 13.121 2.437 -16.608 402 HG23 ILE 50 HG23 ILE 50 12.443 0.896 -16.075 403 HD11 ILE 50 HD11 ILE 50 13.318 4.473 -15.487 404 HD12 ILE 50 HD12 ILE 50 12.272 5.892 -15.323 405 HD13 ILE 50 HD13 ILE 50 12.274 4.666 -14.074 406 H ASP 51 H ASP 51 10.300 0.270 -13.804 407 HA ASP 51 HA ASP 51 11.205 -1.890 -15.225 408 HB2 ASP 51 HB2 ASP 51 11.025 -1.540 -12.679 409 HB3 ASP 51 HB3 ASP 51 9.362 -2.071 -12.779 410 H PHE 52 H PHE 52 7.811 -1.307 -14.289 411 HA PHE 52 HA PHE 52 6.723 -3.536 -15.790 412 HB2 PHE 52 HB2 PHE 52 5.595 -1.130 -14.306 413 HB3 PHE 52 HB3 PHE 52 4.573 -2.065 -15.372 414 HD1 PHE 52 HD1 PHE 52 7.223 -3.294 -12.930 415 HD2 PHE 52 HD2 PHE 52 3.047 -3.188 -14.046 416 HE1 PHE 52 HE1 PHE 52 6.709 -4.953 -11.188 417 HE2 PHE 52 HE2 PHE 52 2.542 -4.810 -12.249 418 HZ PHE 52 HZ PHE 52 4.364 -5.709 -10.824 419 H LEU 53 H LEU 53 7.221 -0.071 -16.449 420 HA LEU 53 HA LEU 53 5.567 0.075 -18.777 421 HB2 LEU 53 HB2 LEU 53 8.092 1.633 -18.185 422 HB3 LEU 53 HB3 LEU 53 6.927 2.074 -19.404 423 HG LEU 53 HG LEU 53 6.792 2.360 -16.449 424 HD11 LEU 53 HD11 LEU 53 5.950 4.508 -16.885 425 HD12 LEU 53 HD12 LEU 53 5.787 4.115 -18.601 426 HD13 LEU 53 HD13 LEU 53 7.397 4.228 -17.872 427 HD21 LEU 53 HD21 LEU 53 4.795 1.095 -16.707 428 HD22 LEU 53 HD22 LEU 53 4.322 2.039 -18.154 429 HD23 LEU 53 HD23 LEU 53 4.348 2.792 -16.546 430 H GLN 54 H GLN 54 8.949 -0.930 -18.400 431 HA GLN 54 HA GLN 54 9.538 -1.120 -21.182 432 HB2 GLN 54 HB2 GLN 54 10.581 -2.992 -19.080 433 HB3 GLN 54 HB3 GLN 54 11.379 -2.521 -20.584 434 HG2 GLN 54 HG2 GLN 54 10.966 -0.121 -19.164 435 HG3 GLN 54 HG3 GLN 54 11.348 -1.314 -17.919 436 HE21 GLN 54 HE21 GLN 54 12.754 1.028 -19.318 437 HE22 GLN 54 HE22 GLN 54 14.354 0.491 -19.785 438 H GLN 55 H GLN 55 7.820 -3.254 -18.997 439 HA GLN 55 HA GLN 55 7.553 -5.447 -20.938 440 HB2 GLN 55 HB2 GLN 55 6.076 -5.100 -18.310 441 HB3 GLN 55 HB3 GLN 55 6.357 -6.599 -19.194 442 HG2 GLN 55 HG2 GLN 55 8.480 -4.905 -17.842 443 HG3 GLN 55 HG3 GLN 55 7.770 -6.384 -17.192 444 HE21 GLN 55 HE21 GLN 55 9.054 -8.252 -17.490 445 HE22 GLN 55 HE22 GLN 55 10.387 -8.226 -18.634 446 H LEU 56 H LEU 56 5.834 -2.505 -20.469 447 HA LEU 56 HA LEU 56 3.219 -3.596 -21.285 448 HB2 LEU 56 HB2 LEU 56 4.297 -1.057 -20.164 449 HB3 LEU 56 HB3 LEU 56 3.120 -0.814 -21.442 450 HG LEU 56 HG LEU 56 1.618 -2.490 -20.162 451 HD11 LEU 56 HD11 LEU 56 1.996 -2.560 -17.696 452 HD12 LEU 56 HD12 LEU 56 3.535 -1.738 -17.920 453 HD13 LEU 56 HD13 LEU 56 3.310 -3.368 -18.585 454 HD21 LEU 56 HD21 LEU 56 1.191 -0.075 -20.305 455 HD22 LEU 56 HD22 LEU 56 2.272 0.222 -18.928 456 HD23 LEU 56 HD23 LEU 56 0.758 -0.688 -18.707 457 H ASP 57 H ASP 57 6.052 -2.080 -22.650 458 HA ASP 57 HA ASP 57 4.705 -1.898 -25.316 459 HB2 ASP 57 HB2 ASP 57 5.908 0.119 -24.198 460 HB3 ASP 57 HB3 ASP 57 7.384 -0.692 -24.727 461 H ALA 58 H ALA 58 7.207 -3.568 -23.444 462 HA ALA 58 HA ALA 58 8.787 -5.050 -23.948 463 HB1 ALA 58 HB1 ALA 58 8.022 -6.941 -25.249 464 HB2 ALA 58 HB2 ALA 58 6.697 -6.333 -24.212 465 HB3 ALA 58 HB3 ALA 58 6.719 -5.964 -25.960 466 H LYS 59 H LYS 59 9.370 -2.604 -25.227 467 HA LYS 59 HA LYS 59 10.589 -3.594 -27.743 468 HB2 LYS 59 HB2 LYS 59 8.666 -1.879 -27.992 469 HB3 LYS 59 HB3 LYS 59 9.823 -0.695 -27.412 470 HG2 LYS 59 HG2 LYS 59 9.741 -2.241 -29.990 471 HG3 LYS 59 HG3 LYS 59 10.090 -0.524 -29.703 472 HD2 LYS 59 HD2 LYS 59 12.300 -1.221 -28.758 473 HD3 LYS 59 HD3 LYS 59 11.951 -2.879 -29.274 474 HE2 LYS 59 HE2 LYS 59 12.131 -0.456 -31.122 475 HE3 LYS 59 HE3 LYS 59 13.438 -1.595 -30.808 476 HZ1 LYS 59 HZ1 LYS 59 11.954 -3.359 -31.632 477 HZ2 LYS 59 HZ2 LYS 59 12.429 -2.271 -32.754 478 HZ3 LYS 59 HZ3 LYS 59 10.900 -2.202 -32.162 479 H GLU 60 H GLU 60 12.511 -3.988 -27.193 480 HA GLU 60 HA GLU 60 14.162 -3.174 -25.203 481 HB2 GLU 60 HB2 GLU 60 14.629 -3.869 -28.155 482 HB3 GLU 60 HB3 GLU 60 15.997 -3.675 -27.071 483 HG2 GLU 60 HG2 GLU 60 13.775 -5.699 -26.575 484 HG3 GLU 60 HG3 GLU 60 15.229 -6.046 -27.512 485 H GLU 61 H GLU 61 14.813 -1.475 -24.467 486 HA GLU 61 HA GLU 61 15.996 0.656 -26.047 487 HB2 GLU 61 HB2 GLU 61 13.729 1.368 -26.226 488 HB3 GLU 61 HB3 GLU 61 13.346 0.905 -24.568 489 HG2 GLU 61 HG2 GLU 61 13.593 3.363 -24.962 490 HG3 GLU 61 HG3 GLU 61 14.531 2.672 -23.640 491 H THR 62 H THR 62 17.891 0.325 -24.964 492 HA THR 62 HA THR 62 17.951 0.899 -22.086 493 HB THR 62 HB THR 62 19.678 -0.872 -21.809 494 HG1 THR 62 HG1 THR 62 18.509 -2.191 -23.992 495 HG21 THR 62 HG21 THR 62 17.475 -1.266 -20.889 496 HG22 THR 62 HG22 THR 62 18.133 -2.774 -21.534 497 HG23 THR 62 HG23 THR 62 16.884 -1.898 -22.438 498 H GLN 63 H GLN 63 19.970 1.755 -21.404 499 HA GLN 63 HA GLN 63 21.320 3.262 -23.542 500 HB2 GLN 63 HB2 GLN 63 22.329 4.495 -21.616 501 HB3 GLN 63 HB3 GLN 63 20.590 4.595 -21.754 502 HG2 GLN 63 HG2 GLN 63 20.531 4.243 -19.566 503 HG3 GLN 63 HG3 GLN 63 20.784 2.545 -19.909 504 HE21 GLN 63 HE21 GLN 63 23.165 1.887 -20.066 505 HE22 GLN 63 HE22 GLN 63 24.239 2.538 -18.834
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