NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
552560 | 2m0c | 18805 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H1 SER 1 11.559 -1.410 -16.979 2 H2 SER 1 H2 SER 1 13.000 -2.189 -17.395 3 H3 SER 1 H3 SER 1 12.119 -1.356 -18.573 4 HA SER 1 HA SER 1 12.514 0.728 -17.489 5 HB2 SER 1 HB2 SER 1 14.221 -0.880 -15.537 6 HB3 SER 1 HB3 SER 1 13.981 0.871 -15.516 7 HG SER 1 HG SER 1 12.569 0.013 -14.048 8 H HIS 2 H HIS 2 13.485 1.162 -19.461 9 HA HIS 2 HA HIS 2 16.379 0.855 -19.709 10 HB2 HIS 2 HB2 HIS 2 15.444 -1.294 -20.641 11 HB3 HIS 2 HB3 HIS 2 14.526 -0.362 -21.814 12 HD1 HIS 2 HD1 HIS 2 15.718 0.317 -23.929 13 HD2 HIS 2 HD2 HIS 2 18.315 -1.222 -21.075 14 HE1 HIS 2 HE1 HIS 2 17.898 -0.017 -25.115 15 HE2 HIS 2 HE2 HIS 2 19.389 -1.115 -23.422 16 H MET 3 H MET 3 16.448 3.090 -19.663 17 HA MET 3 HA MET 3 16.290 5.279 -20.212 18 HB2 MET 3 HB2 MET 3 16.066 4.171 -23.047 19 HB3 MET 3 HB3 MET 3 16.395 5.856 -22.656 20 HG2 MET 3 HG2 MET 3 18.483 5.133 -21.501 21 HG3 MET 3 HG3 MET 3 18.160 3.480 -22.033 22 HE1 MET 3 HE1 MET 3 21.160 4.548 -24.347 23 HE2 MET 3 HE2 MET 3 20.561 3.318 -23.235 24 HE3 MET 3 HE3 MET 3 20.919 4.943 -22.645 25 H SER 4 H SER 4 13.941 4.096 -19.336 26 HA SER 4 HA SER 4 11.665 4.873 -20.980 27 HB2 SER 4 HB2 SER 4 11.738 3.619 -18.198 28 HB3 SER 4 HB3 SER 4 10.336 3.709 -19.268 29 HG SER 4 HG SER 4 11.719 2.462 -20.780 30 H ASN 5 H ASN 5 9.763 5.830 -19.638 31 HA ASN 5 HA ASN 5 8.695 7.481 -18.545 32 HB2 ASN 5 HB2 ASN 5 11.047 7.336 -16.626 33 HB3 ASN 5 HB3 ASN 5 9.500 8.100 -16.273 34 HD21 ASN 5 HD21 ASN 5 7.946 5.937 -17.635 35 HD22 ASN 5 HD22 ASN 5 8.029 4.592 -16.566 36 H LYS 6 H LYS 6 10.102 8.323 -20.736 37 HA LYS 6 HA LYS 6 11.447 10.851 -20.181 38 HB2 LYS 6 HB2 LYS 6 10.657 9.553 -22.825 39 HB3 LYS 6 HB3 LYS 6 11.665 10.992 -22.657 40 HG2 LYS 6 HG2 LYS 6 12.368 8.231 -21.585 41 HG3 LYS 6 HG3 LYS 6 12.983 8.928 -23.088 42 HD2 LYS 6 HD2 LYS 6 14.135 10.697 -21.850 43 HD3 LYS 6 HD3 LYS 6 13.422 10.149 -20.329 44 HE2 LYS 6 HE2 LYS 6 15.779 9.428 -20.573 45 HE3 LYS 6 HE3 LYS 6 14.677 8.057 -20.453 46 HZ1 LYS 6 HZ1 LYS 6 14.821 7.723 -22.800 47 HZ2 LYS 6 HZ2 LYS 6 16.391 7.792 -22.175 48 HZ3 LYS 6 HZ3 LYS 6 15.755 9.115 -23.005 49 H GLY 7 H GLY 7 8.218 9.927 -20.375 50 HA2 GLY 7 HA2 GLY 7 7.043 12.299 -21.509 51 HA3 GLY 7 HA3 GLY 7 6.230 11.077 -20.543 52 H LYS 8 H LYS 8 7.747 14.178 -20.513 53 HA LYS 8 HA LYS 8 8.239 14.516 -17.741 54 HB2 LYS 8 HB2 LYS 8 9.311 15.907 -19.494 55 HB3 LYS 8 HB3 LYS 8 7.761 16.639 -19.878 56 HG2 LYS 8 HG2 LYS 8 9.042 18.188 -18.523 57 HG3 LYS 8 HG3 LYS 8 7.668 17.612 -17.582 58 HD2 LYS 8 HD2 LYS 8 9.637 17.680 -16.145 59 HD3 LYS 8 HD3 LYS 8 9.186 15.993 -16.409 60 HE2 LYS 8 HE2 LYS 8 10.964 15.800 -18.126 61 HE3 LYS 8 HE3 LYS 8 11.415 17.481 -17.851 62 HZ1 LYS 8 HZ1 LYS 8 12.860 15.946 -16.692 63 HZ2 LYS 8 HZ2 LYS 8 11.546 15.314 -15.836 64 HZ3 LYS 8 HZ3 LYS 8 12.015 16.919 -15.597 65 H LYS 9 H LYS 9 6.643 14.313 -16.260 66 HA LYS 9 HA LYS 9 3.908 15.153 -16.720 67 HB2 LYS 9 HB2 LYS 9 5.302 13.999 -14.273 68 HB3 LYS 9 HB3 LYS 9 3.590 14.415 -14.307 69 HG2 LYS 9 HG2 LYS 9 3.244 12.787 -16.146 70 HG3 LYS 9 HG3 LYS 9 4.952 12.352 -16.070 71 HD2 LYS 9 HD2 LYS 9 3.601 10.684 -14.897 72 HD3 LYS 9 HD3 LYS 9 4.642 11.526 -13.754 73 HE2 LYS 9 HE2 LYS 9 1.738 12.329 -14.157 74 HE3 LYS 9 HE3 LYS 9 2.200 11.052 -13.037 75 HZ1 LYS 9 HZ1 LYS 9 1.980 13.079 -11.839 76 HZ2 LYS 9 HZ2 LYS 9 2.988 13.912 -12.898 77 HZ3 LYS 9 HZ3 LYS 9 3.631 12.711 -11.900 78 H ARG 10 H ARG 10 3.386 17.242 -16.635 79 HA ARG 10 HA ARG 10 4.569 19.130 -14.744 80 HB2 ARG 10 HB2 ARG 10 2.315 19.472 -16.773 81 HB3 ARG 10 HB3 ARG 10 3.000 20.775 -15.806 82 HG2 ARG 10 HG2 ARG 10 4.708 19.132 -17.698 83 HG3 ARG 10 HG3 ARG 10 3.792 20.530 -18.250 84 HD2 ARG 10 HD2 ARG 10 6.093 21.186 -17.821 85 HD3 ARG 10 HD3 ARG 10 5.037 21.968 -16.653 86 HE ARG 10 HE ARG 10 5.801 20.227 -15.031 87 HH11 ARG 10 HH11 ARG 10 7.864 21.040 -17.683 88 HH12 ARG 10 HH12 ARG 10 9.295 20.629 -16.810 89 HH21 ARG 10 HH21 ARG 10 7.645 19.724 -13.962 90 HH22 ARG 10 HH22 ARG 10 9.170 19.899 -14.753 91 H ARG 11 H ARG 11 1.734 17.117 -15.021 92 HA ARG 11 HA ARG 11 0.195 18.347 -12.909 93 HB2 ARG 11 HB2 ARG 11 -0.056 15.631 -14.270 94 HB3 ARG 11 HB3 ARG 11 -1.194 16.236 -13.066 95 HG2 ARG 11 HG2 ARG 11 -1.714 18.155 -14.585 96 HG3 ARG 11 HG3 ARG 11 -0.648 17.448 -15.803 97 HD2 ARG 11 HD2 ARG 11 -3.060 16.927 -16.192 98 HD3 ARG 11 HD3 ARG 11 -2.073 15.474 -15.974 99 HE ARG 11 HE ARG 11 -3.679 16.643 -13.767 100 HH11 ARG 11 HH11 ARG 11 -2.827 13.879 -15.674 101 HH12 ARG 11 HH12 ARG 11 -3.700 12.792 -14.659 102 HH21 ARG 11 HH21 ARG 11 -4.747 15.207 -12.471 103 HH22 ARG 11 HH22 ARG 11 -4.752 13.525 -12.872 104 H ASN 12 H ASN 12 1.385 18.451 -11.062 105 HA ASN 12 HA ASN 12 1.971 17.922 -8.971 106 HB2 ASN 12 HB2 ASN 12 -0.102 16.545 -9.006 107 HB3 ASN 12 HB3 ASN 12 0.827 15.158 -9.557 108 HD21 ASN 12 HD21 ASN 12 0.129 13.997 -7.717 109 HD22 ASN 12 HD22 ASN 12 0.797 14.287 -6.153 110 H ARG 13 H ARG 13 3.878 17.559 -8.032 111 HA ARG 13 HA ARG 13 6.091 16.354 -9.366 112 HB2 ARG 13 HB2 ARG 13 6.397 18.242 -7.835 113 HB3 ARG 13 HB3 ARG 13 5.736 17.315 -6.492 114 HG2 ARG 13 HG2 ARG 13 7.696 15.783 -6.608 115 HG3 ARG 13 HG3 ARG 13 8.366 16.754 -7.925 116 HD2 ARG 13 HD2 ARG 13 7.786 17.779 -5.115 117 HD3 ARG 13 HD3 ARG 13 9.373 17.273 -5.699 118 HE ARG 13 HE ARG 13 8.882 19.128 -7.477 119 HH11 ARG 13 HH11 ARG 13 8.127 19.348 -4.113 120 HH12 ARG 13 HH12 ARG 13 8.380 21.051 -4.061 121 HH21 ARG 13 HH21 ARG 13 9.197 21.313 -7.382 122 HH22 ARG 13 HH22 ARG 13 8.964 22.148 -5.887 123 H THR 14 H THR 14 4.748 15.476 -6.155 124 HA THR 14 HA THR 14 5.443 12.627 -6.631 125 HB THR 14 HB THR 14 5.020 13.998 -3.925 126 HG1 THR 14 HG1 THR 14 7.061 14.551 -3.999 127 HG21 THR 14 HG21 THR 14 6.130 11.984 -3.004 128 HG22 THR 14 HG22 THR 14 6.232 11.287 -4.621 129 HG23 THR 14 HG23 THR 14 4.653 11.535 -3.866 130 H THR 15 H THR 15 3.734 11.384 -7.073 131 HA THR 15 HA THR 15 1.026 12.078 -7.019 132 HB THR 15 HB THR 15 2.246 9.274 -6.998 133 HG1 THR 15 HG1 THR 15 2.953 9.975 -8.877 134 HG21 THR 15 HG21 THR 15 0.164 8.548 -8.144 135 HG22 THR 15 HG22 THR 15 -0.521 10.160 -7.931 136 HG23 THR 15 HG23 THR 15 -0.180 9.153 -6.522 137 H PHE 16 H PHE 16 3.018 10.645 -4.522 138 HA PHE 16 HA PHE 16 0.731 10.258 -2.686 139 HB2 PHE 16 HB2 PHE 16 3.584 9.211 -2.406 140 HB3 PHE 16 HB3 PHE 16 2.194 8.755 -1.425 141 HD1 PHE 16 HD1 PHE 16 0.303 7.433 -2.506 142 HD2 PHE 16 HD2 PHE 16 4.035 8.084 -4.493 143 HE1 PHE 16 HE1 PHE 16 -0.198 5.595 -4.064 144 HE2 PHE 16 HE2 PHE 16 3.524 6.242 -6.044 145 HZ PHE 16 HZ PHE 16 1.407 4.997 -5.831 146 H THR 17 H THR 17 1.171 10.820 -0.348 147 HA THR 17 HA THR 17 3.072 13.083 0.031 148 HB THR 17 HB THR 17 0.705 13.902 0.085 149 HG1 THR 17 HG1 THR 17 1.085 15.189 1.804 150 HG21 THR 17 HG21 THR 17 -0.757 13.329 1.995 151 HG22 THR 17 HG22 THR 17 0.412 12.118 2.528 152 HG23 THR 17 HG23 THR 17 -0.433 11.914 0.992 153 H SER 18 H SER 18 3.318 13.402 2.608 154 HA SER 18 HA SER 18 4.993 11.395 3.531 155 HB2 SER 18 HB2 SER 18 3.529 13.466 5.225 156 HB3 SER 18 HB3 SER 18 4.975 12.577 5.708 157 HG SER 18 HG SER 18 5.500 14.637 4.919 158 H TYR 19 H TYR 19 1.645 12.063 4.714 159 HA TYR 19 HA TYR 19 1.494 9.950 6.578 160 HB2 TYR 19 HB2 TYR 19 -0.091 11.837 6.638 161 HB3 TYR 19 HB3 TYR 19 -0.782 11.344 5.095 162 HD1 TYR 19 HD2 TYR 19 -0.422 10.356 8.679 163 HD2 TYR 19 HD1 TYR 19 -2.497 9.594 5.013 164 HE1 TYR 19 HE2 TYR 19 -1.987 8.873 9.860 165 HE2 TYR 19 HE1 TYR 19 -4.043 8.103 6.201 166 HH TYR 19 HH TYR 19 -4.019 6.711 8.291 167 H GLN 20 H GLN 20 0.508 10.044 3.139 168 HA GLN 20 HA GLN 20 -0.690 7.490 2.979 169 HB2 GLN 20 HB2 GLN 20 0.719 9.103 0.807 170 HB3 GLN 20 HB3 GLN 20 -0.237 7.651 0.501 171 HG2 GLN 20 HG2 GLN 20 -2.239 8.749 1.378 172 HG3 GLN 20 HG3 GLN 20 -1.306 10.193 1.762 173 HE21 GLN 20 HE21 GLN 20 -3.622 10.039 0.046 174 HE22 GLN 20 HE22 GLN 20 -3.122 10.553 -1.518 175 H LEU 21 H LEU 21 2.691 8.500 2.334 176 HA LEU 21 HA LEU 21 3.671 5.888 1.746 177 HB2 LEU 21 HB2 LEU 21 5.162 8.402 2.587 178 HB3 LEU 21 HB3 LEU 21 5.948 6.923 2.044 179 HG LEU 21 HG LEU 21 4.139 8.724 0.379 180 HD11 LEU 21 HD11 LEU 21 7.107 8.146 0.123 181 HD12 LEU 21 HD12 LEU 21 6.376 9.647 0.702 182 HD13 LEU 21 HD13 LEU 21 6.141 9.146 -0.970 183 HD21 LEU 21 HD21 LEU 21 5.451 6.099 -0.422 184 HD22 LEU 21 HD22 LEU 21 4.637 7.214 -1.523 185 HD23 LEU 21 HD23 LEU 21 3.720 6.409 -0.255 186 H GLU 22 H GLU 22 3.255 7.629 4.804 187 HA GLU 22 HA GLU 22 4.720 5.930 6.516 188 HB2 GLU 22 HB2 GLU 22 2.178 7.537 6.987 189 HB3 GLU 22 HB3 GLU 22 2.919 6.586 8.271 190 HG2 GLU 22 HG2 GLU 22 4.268 8.859 6.773 191 HG3 GLU 22 HG3 GLU 22 3.526 8.984 8.366 192 H GLU 23 H GLU 23 1.272 5.781 5.620 193 HA GLU 23 HA GLU 23 0.648 3.368 6.957 194 HB2 GLU 23 HB2 GLU 23 -0.757 4.658 4.582 195 HB3 GLU 23 HB3 GLU 23 -1.460 3.450 5.657 196 HG2 GLU 23 HG2 GLU 23 -0.523 6.186 6.587 197 HG3 GLU 23 HG3 GLU 23 -2.172 5.850 6.055 198 H LEU 24 H LEU 24 1.450 4.001 3.544 199 HA LEU 24 HA LEU 24 1.089 1.441 2.460 200 HB2 LEU 24 HB2 LEU 24 2.899 3.732 1.625 201 HB3 LEU 24 HB3 LEU 24 2.733 2.270 0.665 202 HG LEU 24 HG LEU 24 0.373 4.081 1.342 203 HD11 LEU 24 HD11 LEU 24 0.546 5.014 -0.920 204 HD12 LEU 24 HD12 LEU 24 2.037 4.108 -1.196 205 HD13 LEU 24 HD13 LEU 24 1.985 5.374 0.034 206 HD21 LEU 24 HD21 LEU 24 -0.766 2.899 -0.485 207 HD22 LEU 24 HD22 LEU 24 -0.240 1.772 0.762 208 HD23 LEU 24 HD23 LEU 24 0.663 1.892 -0.750 209 H GLU 25 H GLU 25 4.125 2.969 3.686 210 HA GLU 25 HA GLU 25 5.804 0.712 3.354 211 HB2 GLU 25 HB2 GLU 25 6.044 3.164 5.128 212 HB3 GLU 25 HB3 GLU 25 7.263 1.899 5.135 213 HG2 GLU 25 HG2 GLU 25 6.453 3.434 2.660 214 HG3 GLU 25 HG3 GLU 25 7.790 3.893 3.710 215 H LYS 26 H LYS 26 3.837 1.764 6.167 216 HA LYS 26 HA LYS 26 4.808 -0.112 8.040 217 HB2 LYS 26 HB2 LYS 26 2.162 1.357 7.849 218 HB3 LYS 26 HB3 LYS 26 2.519 0.269 9.194 219 HG2 LYS 26 HG2 LYS 26 4.393 1.624 9.888 220 HG3 LYS 26 HG3 LYS 26 4.275 2.625 8.438 221 HD2 LYS 26 HD2 LYS 26 2.073 3.473 9.203 222 HD3 LYS 26 HD3 LYS 26 2.194 2.478 10.660 223 HE2 LYS 26 HE2 LYS 26 2.830 4.880 11.023 224 HE3 LYS 26 HE3 LYS 26 4.119 3.745 11.432 225 HZ1 LYS 26 HZ1 LYS 26 3.912 5.234 8.878 226 HZ2 LYS 26 HZ2 LYS 26 5.175 4.217 9.339 227 HZ3 LYS 26 HZ3 LYS 26 4.912 5.665 10.170 228 H VAL 27 H VAL 27 2.070 -0.374 5.771 229 HA VAL 27 HA VAL 27 1.340 -3.045 6.420 230 HB VAL 27 HB VAL 27 0.931 -1.495 3.821 231 HG11 VAL 27 HG11 VAL 27 -0.855 -3.160 3.285 232 HG12 VAL 27 HG12 VAL 27 -0.376 -4.112 4.692 233 HG13 VAL 27 HG13 VAL 27 0.744 -3.907 3.345 234 HG21 VAL 27 HG21 VAL 27 -1.373 -1.120 4.679 235 HG22 VAL 27 HG22 VAL 27 -0.162 -0.447 5.772 236 HG23 VAL 27 HG23 VAL 27 -0.956 -1.973 6.169 237 H PHE 28 H PHE 28 3.629 -1.690 4.038 238 HA PHE 28 HA PHE 28 4.317 -4.050 2.651 239 HB2 PHE 28 HB2 PHE 28 4.748 -1.769 1.799 240 HB3 PHE 28 HB3 PHE 28 5.944 -1.503 3.059 241 HD1 PHE 28 HD1 PHE 28 5.204 -3.794 0.171 242 HD2 PHE 28 HD2 PHE 28 8.230 -1.927 2.558 243 HE1 PHE 28 HE1 PHE 28 6.942 -4.676 -1.327 244 HE2 PHE 28 HE2 PHE 28 9.961 -2.818 1.047 245 HZ PHE 28 HZ PHE 28 9.319 -4.193 -0.896 246 H GLN 29 H GLN 29 5.713 -2.633 5.594 247 HA GLN 29 HA GLN 29 8.001 -4.436 5.653 248 HB2 GLN 29 HB2 GLN 29 7.098 -2.372 7.705 249 HB3 GLN 29 HB3 GLN 29 8.634 -3.235 7.735 250 HG2 GLN 29 HG2 GLN 29 7.747 -1.280 5.586 251 HG3 GLN 29 HG3 GLN 29 8.876 -0.926 6.887 252 HE21 GLN 29 HE21 GLN 29 9.191 -0.862 3.922 253 HE22 GLN 29 HE22 GLN 29 10.561 -1.864 3.596 254 H LYS 30 H LYS 30 4.810 -4.303 7.098 255 HA LYS 30 HA LYS 30 5.316 -6.520 8.939 256 HB2 LYS 30 HB2 LYS 30 2.748 -5.075 8.163 257 HB3 LYS 30 HB3 LYS 30 2.830 -6.366 9.357 258 HG2 LYS 30 HG2 LYS 30 4.280 -5.006 10.785 259 HG3 LYS 30 HG3 LYS 30 4.319 -3.731 9.571 260 HD2 LYS 30 HD2 LYS 30 2.770 -2.986 11.216 261 HD3 LYS 30 HD3 LYS 30 1.779 -3.535 9.867 262 HE2 LYS 30 HE2 LYS 30 2.356 -5.180 12.363 263 HE3 LYS 30 HE3 LYS 30 0.903 -4.218 12.121 264 HZ1 LYS 30 HZ1 LYS 30 1.748 -6.582 10.545 265 HZ2 LYS 30 HZ2 LYS 30 0.416 -5.617 10.171 266 HZ3 LYS 30 HZ3 LYS 30 0.453 -6.482 11.621 267 H THR 31 H THR 31 3.982 -6.028 5.723 268 HA THR 31 HA THR 31 4.337 -8.791 5.012 269 HB THR 31 HB THR 31 2.092 -9.049 5.936 270 HG1 THR 31 HG1 THR 31 1.047 -9.401 3.605 271 HG21 THR 31 HG21 THR 31 1.141 -6.913 3.985 272 HG22 THR 31 HG22 THR 31 1.245 -6.724 5.737 273 HG23 THR 31 HG23 THR 31 0.109 -7.883 5.040 274 H HIS 32 H HIS 32 5.194 -8.769 3.027 275 HA HIS 32 HA HIS 32 5.194 -6.421 1.357 276 HB2 HIS 32 HB2 HIS 32 6.248 -9.221 0.781 277 HB3 HIS 32 HB3 HIS 32 6.609 -7.781 -0.172 278 HD1 HIS 32 HD1 HIS 32 7.770 -9.690 2.725 279 HD2 HIS 32 HD2 HIS 32 8.154 -5.795 1.335 280 HE1 HIS 32 HE1 HIS 32 9.706 -8.712 3.987 281 HE2 HIS 32 HE2 HIS 32 9.804 -6.317 3.250 282 H TYR 33 H TYR 33 2.926 -8.840 1.737 283 HA TYR 33 HA TYR 33 1.703 -8.389 -0.915 284 HB2 TYR 33 HB2 TYR 33 0.834 -10.782 -0.761 285 HB3 TYR 33 HB3 TYR 33 2.554 -10.617 -1.056 286 HD1 TYR 33 HD2 TYR 33 4.164 -10.936 0.963 287 HD2 TYR 33 HD1 TYR 33 0.058 -12.123 1.082 288 HE1 TYR 33 HE2 TYR 33 4.649 -12.415 2.862 289 HE2 TYR 33 HE1 TYR 33 0.547 -13.604 2.983 290 HH TYR 33 HH TYR 33 3.463 -13.464 4.736 291 HA PRO 34 HA PRO 34 -1.643 -7.259 2.090 292 HB2 PRO 34 HB2 PRO 34 -2.642 -5.143 0.690 293 HB3 PRO 34 HB3 PRO 34 -1.211 -4.997 1.723 294 HG2 PRO 34 HG2 PRO 34 -1.363 -5.300 -1.272 295 HG3 PRO 34 HG3 PRO 34 -0.314 -4.237 -0.313 296 HD2 PRO 34 HD2 PRO 34 0.509 -6.655 -1.375 297 HD3 PRO 34 HD3 PRO 34 1.241 -5.917 0.067 298 H ASP 35 H ASP 35 -3.377 -8.608 1.975 299 HA ASP 35 HA ASP 35 -4.418 -9.744 -0.447 300 HB2 ASP 35 HB2 ASP 35 -6.119 -10.786 1.048 301 HB3 ASP 35 HB3 ASP 35 -4.478 -10.993 1.655 302 H VAL 36 H VAL 36 -6.988 -9.697 -0.751 303 HA VAL 36 HA VAL 36 -7.612 -7.246 -1.914 304 HB VAL 36 HB VAL 36 -8.685 -9.402 -2.549 305 HG11 VAL 36 HG11 VAL 36 -10.399 -9.063 -0.054 306 HG12 VAL 36 HG12 VAL 36 -9.182 -10.318 -0.315 307 HG13 VAL 36 HG13 VAL 36 -10.637 -10.285 -1.313 308 HG21 VAL 36 HG21 VAL 36 -9.683 -7.301 -3.363 309 HG22 VAL 36 HG22 VAL 36 -10.695 -7.203 -1.921 310 HG23 VAL 36 HG23 VAL 36 -10.939 -8.511 -3.081 311 H TYR 37 H TYR 37 -8.525 -8.410 1.315 312 HA TYR 37 HA TYR 37 -10.303 -6.244 1.958 313 HB2 TYR 37 HB2 TYR 37 -10.435 -8.522 3.004 314 HB3 TYR 37 HB3 TYR 37 -8.913 -8.216 3.829 315 HD1 TYR 37 HD2 TYR 37 -12.415 -6.957 3.496 316 HD2 TYR 37 HD1 TYR 37 -8.934 -7.128 5.975 317 HE1 TYR 37 HE2 TYR 37 -13.682 -5.950 5.355 318 HE2 TYR 37 HE1 TYR 37 -10.201 -6.127 7.831 319 HH TYR 37 HH TYR 37 -12.251 -4.661 8.084 320 H ALA 38 H ALA 38 -6.903 -7.021 2.686 321 HA ALA 38 HA ALA 38 -6.274 -4.781 4.307 322 HB1 ALA 38 HB1 ALA 38 -4.412 -6.400 2.535 323 HB2 ALA 38 HB2 ALA 38 -4.859 -6.799 4.195 324 HB3 ALA 38 HB3 ALA 38 -3.921 -5.341 3.863 325 H ARG 39 H ARG 39 -6.383 -5.173 0.799 326 HA ARG 39 HA ARG 39 -5.129 -2.787 -0.058 327 HB2 ARG 39 HB2 ARG 39 -7.420 -4.355 -1.321 328 HB3 ARG 39 HB3 ARG 39 -6.541 -3.066 -2.133 329 HG2 ARG 39 HG2 ARG 39 -5.314 -5.674 -1.185 330 HG3 ARG 39 HG3 ARG 39 -5.839 -5.337 -2.837 331 HD2 ARG 39 HD2 ARG 39 -4.208 -3.462 -2.936 332 HD3 ARG 39 HD3 ARG 39 -3.652 -3.885 -1.314 333 HE ARG 39 HE ARG 39 -3.017 -6.094 -2.296 334 HH11 ARG 39 HH11 ARG 39 -3.301 -3.410 -4.458 335 HH12 ARG 39 HH12 ARG 39 -2.041 -3.990 -5.491 336 HH21 ARG 39 HH21 ARG 39 -1.422 -6.807 -3.614 337 HH22 ARG 39 HH22 ARG 39 -0.995 -5.902 -5.023 338 H GLU 40 H GLU 40 -8.528 -3.526 0.715 339 HA GLU 40 HA GLU 40 -9.652 -0.984 0.093 340 HB2 GLU 40 HB2 GLU 40 -10.734 -3.142 1.957 341 HB3 GLU 40 HB3 GLU 40 -11.674 -1.840 1.227 342 HG2 GLU 40 HG2 GLU 40 -11.343 -2.801 -0.990 343 HG3 GLU 40 HG3 GLU 40 -10.276 -4.034 -0.331 344 H GLN 41 H GLN 41 -8.709 -2.485 3.212 345 HA GLN 41 HA GLN 41 -9.454 -0.404 4.962 346 HB2 GLN 41 HB2 GLN 41 -7.248 -2.488 5.278 347 HB3 GLN 41 HB3 GLN 41 -7.867 -1.480 6.587 348 HG2 GLN 41 HG2 GLN 41 -9.493 -3.510 5.017 349 HG3 GLN 41 HG3 GLN 41 -8.800 -3.774 6.609 350 HE21 GLN 41 HE21 GLN 41 -11.331 -2.187 4.825 351 HE22 GLN 41 HE22 GLN 41 -12.268 -1.700 6.187 352 H LEU 42 H LEU 42 -6.376 -1.056 3.320 353 HA LEU 42 HA LEU 42 -4.911 1.146 4.355 354 HB2 LEU 42 HB2 LEU 42 -3.880 -0.852 3.353 355 HB3 LEU 42 HB3 LEU 42 -4.562 -0.446 1.791 356 HG LEU 42 HG LEU 42 -3.086 1.519 1.611 357 HD11 LEU 42 HD11 LEU 42 -1.999 0.734 4.333 358 HD12 LEU 42 HD12 LEU 42 -2.943 2.179 3.960 359 HD13 LEU 42 HD13 LEU 42 -1.332 1.980 3.275 360 HD21 LEU 42 HD21 LEU 42 -1.564 -0.999 2.374 361 HD22 LEU 42 HD22 LEU 42 -0.941 0.336 1.401 362 HD23 LEU 42 HD23 LEU 42 -2.267 -0.647 0.791 363 H ALA 43 H ALA 43 -6.963 0.749 1.486 364 HA ALA 43 HA ALA 43 -6.358 3.116 0.088 365 HB1 ALA 43 HB1 ALA 43 -8.960 1.541 0.077 366 HB2 ALA 43 HB2 ALA 43 -7.543 1.202 -0.920 367 HB3 ALA 43 HB3 ALA 43 -8.443 2.702 -1.153 368 H MET 44 H MET 44 -9.112 2.492 2.330 369 HA MET 44 HA MET 44 -10.262 5.074 2.217 370 HB2 MET 44 HB2 MET 44 -11.518 4.435 4.260 371 HB3 MET 44 HB3 MET 44 -11.547 3.170 3.043 372 HG2 MET 44 HG2 MET 44 -9.889 1.887 4.292 373 HG3 MET 44 HG3 MET 44 -9.754 3.178 5.484 374 HE1 MET 44 HE1 MET 44 -13.222 3.010 7.302 375 HE2 MET 44 HE2 MET 44 -12.780 4.083 5.974 376 HE3 MET 44 HE3 MET 44 -11.629 3.765 7.273 377 H ARG 45 H ARG 45 -7.679 3.806 4.265 378 HA ARG 45 HA ARG 45 -7.569 6.038 6.085 379 HB2 ARG 45 HB2 ARG 45 -5.624 3.764 5.520 380 HB3 ARG 45 HB3 ARG 45 -5.377 4.956 6.799 381 HG2 ARG 45 HG2 ARG 45 -7.349 4.218 7.979 382 HG3 ARG 45 HG3 ARG 45 -7.845 3.191 6.633 383 HD2 ARG 45 HD2 ARG 45 -6.899 1.862 8.464 384 HD3 ARG 45 HD3 ARG 45 -5.910 1.730 7.012 385 HE ARG 45 HE ARG 45 -4.385 3.382 8.083 386 HH11 ARG 45 HH11 ARG 45 -6.463 1.552 10.142 387 HH12 ARG 45 HH12 ARG 45 -5.345 1.580 11.460 388 HH21 ARG 45 HH21 ARG 45 -2.976 3.409 9.774 389 HH22 ARG 45 HH22 ARG 45 -3.384 2.590 11.247 390 H THR 46 H THR 46 -5.801 5.137 3.121 391 HA THR 46 HA THR 46 -3.914 7.359 3.361 392 HB THR 46 HB THR 46 -2.995 6.547 1.173 393 HG1 THR 46 HG1 THR 46 -4.379 4.165 1.213 394 HG21 THR 46 HG21 THR 46 -3.292 4.363 3.263 395 HG22 THR 46 HG22 THR 46 -2.082 5.650 3.284 396 HG23 THR 46 HG23 THR 46 -2.054 4.432 2.004 397 H ASP 47 H ASP 47 -7.066 7.053 2.072 398 HA ASP 47 HA ASP 47 -8.400 8.386 0.816 399 HB2 ASP 47 HB2 ASP 47 -7.374 10.292 1.994 400 HB3 ASP 47 HB3 ASP 47 -6.033 10.311 0.868 401 H LEU 48 H LEU 48 -6.056 6.588 -0.307 402 HA LEU 48 HA LEU 48 -6.095 7.352 -3.164 403 HB2 LEU 48 HB2 LEU 48 -4.551 5.191 -1.659 404 HB3 LEU 48 HB3 LEU 48 -4.391 5.516 -3.383 405 HG LEU 48 HG LEU 48 -3.712 7.565 -1.227 406 HD11 LEU 48 HD11 LEU 48 -1.804 5.691 -2.671 407 HD12 LEU 48 HD12 LEU 48 -2.247 5.618 -0.962 408 HD13 LEU 48 HD13 LEU 48 -1.351 7.003 -1.577 409 HD21 LEU 48 HD21 LEU 48 -3.014 7.485 -4.194 410 HD22 LEU 48 HD22 LEU 48 -2.507 8.728 -3.043 411 HD23 LEU 48 HD23 LEU 48 -4.212 8.540 -3.440 412 H THR 49 H THR 49 -6.721 5.725 -4.769 413 HA THR 49 HA THR 49 -8.734 3.785 -3.869 414 HB THR 49 HB THR 49 -9.095 3.309 -6.278 415 HG1 THR 49 HG1 THR 49 -7.605 5.320 -7.330 416 HG21 THR 49 HG21 THR 49 -10.335 5.199 -5.280 417 HG22 THR 49 HG22 THR 49 -9.950 5.517 -6.972 418 HG23 THR 49 HG23 THR 49 -9.012 6.297 -5.698 419 H GLU 50 H GLU 50 -8.656 1.562 -4.881 420 HA GLU 50 HA GLU 50 -6.457 0.094 -3.940 421 HB2 GLU 50 HB2 GLU 50 -8.940 -0.614 -4.432 422 HB3 GLU 50 HB3 GLU 50 -8.375 -0.965 -6.056 423 HG2 GLU 50 HG2 GLU 50 -7.238 -2.235 -3.541 424 HG3 GLU 50 HG3 GLU 50 -8.538 -2.936 -4.493 425 H ALA 51 H ALA 51 -7.245 1.310 -7.171 426 HA ALA 51 HA ALA 51 -5.317 0.095 -8.783 427 HB1 ALA 51 HB1 ALA 51 -6.394 2.929 -8.991 428 HB2 ALA 51 HB2 ALA 51 -7.167 1.482 -9.639 429 HB3 ALA 51 HB3 ALA 51 -5.619 2.020 -10.294 430 H ARG 52 H ARG 52 -5.002 2.994 -6.722 431 HA ARG 52 HA ARG 52 -2.279 3.597 -7.513 432 HB2 ARG 52 HB2 ARG 52 -4.121 4.684 -5.360 433 HB3 ARG 52 HB3 ARG 52 -2.426 5.141 -5.385 434 HG2 ARG 52 HG2 ARG 52 -3.869 6.832 -6.469 435 HG3 ARG 52 HG3 ARG 52 -2.664 6.174 -7.576 436 HD2 ARG 52 HD2 ARG 52 -4.377 4.725 -8.593 437 HD3 ARG 52 HD3 ARG 52 -5.582 5.336 -7.462 438 HE ARG 52 HE ARG 52 -5.042 7.595 -8.549 439 HH11 ARG 52 HH11 ARG 52 -5.009 4.604 -10.314 440 HH12 ARG 52 HH12 ARG 52 -5.457 5.364 -11.797 441 HH21 ARG 52 HH21 ARG 52 -5.610 8.514 -10.445 442 HH22 ARG 52 HH22 ARG 52 -5.775 7.552 -11.871 443 H VAL 53 H VAL 53 -3.781 1.745 -4.925 444 HA VAL 53 HA VAL 53 -1.439 1.185 -3.391 445 HB VAL 53 HB VAL 53 -3.987 -0.489 -3.640 446 HG11 VAL 53 HG11 VAL 53 -2.162 -1.786 -2.619 447 HG12 VAL 53 HG12 VAL 53 -3.386 -1.401 -1.407 448 HG13 VAL 53 HG13 VAL 53 -1.870 -0.496 -1.450 449 HG21 VAL 53 HG21 VAL 53 -4.773 0.689 -1.599 450 HG22 VAL 53 HG22 VAL 53 -4.517 1.817 -2.932 451 HG23 VAL 53 HG23 VAL 53 -3.329 1.710 -1.631 452 H GLN 54 H GLN 54 -2.916 -0.358 -6.248 453 HA GLN 54 HA GLN 54 -1.234 -2.627 -6.489 454 HB2 GLN 54 HB2 GLN 54 -2.544 -1.018 -8.733 455 HB3 GLN 54 HB3 GLN 54 -1.828 -2.620 -8.918 456 HG2 GLN 54 HG2 GLN 54 -3.518 -3.547 -7.386 457 HG3 GLN 54 HG3 GLN 54 -4.234 -1.948 -7.201 458 HE21 GLN 54 HE21 GLN 54 -5.559 -4.298 -8.143 459 HE22 GLN 54 HE22 GLN 54 -6.088 -3.979 -9.756 460 H VAL 55 H VAL 55 -0.986 0.614 -8.010 461 HA VAL 55 HA VAL 55 1.371 0.200 -9.474 462 HB VAL 55 HB VAL 55 0.361 2.857 -8.335 463 HG11 VAL 55 HG11 VAL 55 2.286 2.369 -10.655 464 HG12 VAL 55 HG12 VAL 55 2.714 3.050 -9.085 465 HG13 VAL 55 HG13 VAL 55 1.646 3.943 -10.169 466 HG21 VAL 55 HG21 VAL 55 -1.356 1.742 -9.716 467 HG22 VAL 55 HG22 VAL 55 -0.206 1.581 -11.044 468 HG23 VAL 55 HG23 VAL 55 -0.743 3.183 -10.530 469 H TRP 56 H TRP 56 0.971 1.482 -6.146 470 HA TRP 56 HA TRP 56 3.681 2.156 -5.708 471 HB2 TRP 56 HB2 TRP 56 1.739 2.958 -4.278 472 HB3 TRP 56 HB3 TRP 56 1.706 1.368 -3.521 473 HD1 TRP 56 HD1 TRP 56 3.866 4.559 -3.718 474 HE1 TRP 56 HE1 TRP 56 5.522 4.578 -1.751 475 HE3 TRP 56 HE3 TRP 56 3.034 -0.141 -1.866 476 HZ2 TRP 56 HZ2 TRP 56 6.372 2.862 0.302 477 HZ3 TRP 56 HZ3 TRP 56 4.318 -0.877 0.095 478 HH2 TRP 56 HH2 TRP 56 5.958 0.593 1.157 479 H PHE 57 H PHE 57 1.855 -0.757 -4.562 480 HA PHE 57 HA PHE 57 4.095 -2.008 -3.364 481 HB2 PHE 57 HB2 PHE 57 1.318 -2.980 -4.063 482 HB3 PHE 57 HB3 PHE 57 2.526 -4.147 -3.535 483 HD1 PHE 57 HD1 PHE 57 3.397 -4.118 -1.240 484 HD2 PHE 57 HD2 PHE 57 0.437 -1.292 -2.482 485 HE1 PHE 57 HE1 PHE 57 2.966 -3.525 1.106 486 HE2 PHE 57 HE2 PHE 57 0.020 -0.709 -0.137 487 HZ PHE 57 HZ PHE 57 1.280 -1.821 1.663 488 H GLN 58 H GLN 58 2.782 -2.414 -6.674 489 HA GLN 58 HA GLN 58 4.413 -4.681 -7.348 490 HB2 GLN 58 HB2 GLN 58 3.033 -2.630 -9.122 491 HB3 GLN 58 HB3 GLN 58 3.818 -4.086 -9.731 492 HG2 GLN 58 HG2 GLN 58 2.230 -5.493 -8.532 493 HG3 GLN 58 HG3 GLN 58 1.491 -4.081 -7.782 494 HE21 GLN 58 HE21 GLN 58 0.222 -6.109 -9.439 495 HE22 GLN 58 HE22 GLN 58 -0.461 -5.268 -10.787 496 H ASN 59 H ASN 59 4.846 -1.176 -7.704 497 HA ASN 59 HA ASN 59 7.349 -1.297 -9.115 498 HB2 ASN 59 HB2 ASN 59 5.638 0.655 -9.005 499 HB3 ASN 59 HB3 ASN 59 6.342 1.047 -7.444 500 HD21 ASN 59 HD21 ASN 59 6.258 2.677 -9.817 501 HD22 ASN 59 HD22 ASN 59 7.891 3.024 -10.250 502 H ARG 60 H ARG 60 6.390 -1.078 -5.731 503 HA ARG 60 HA ARG 60 8.908 -0.398 -4.578 504 HB2 ARG 60 HB2 ARG 60 6.663 0.058 -3.552 505 HB3 ARG 60 HB3 ARG 60 6.454 -1.665 -3.282 506 HG2 ARG 60 HG2 ARG 60 7.091 -0.605 -1.217 507 HG3 ARG 60 HG3 ARG 60 8.412 -1.639 -1.757 508 HD2 ARG 60 HD2 ARG 60 9.635 0.322 -2.592 509 HD3 ARG 60 HD3 ARG 60 8.290 1.374 -2.127 510 HE ARG 60 HE ARG 60 8.736 0.846 0.184 511 HH11 ARG 60 HH11 ARG 60 11.289 -0.029 -1.991 512 HH12 ARG 60 HH12 ARG 60 12.474 -0.048 -0.739 513 HH21 ARG 60 HH21 ARG 60 10.251 0.829 1.746 514 HH22 ARG 60 HH22 ARG 60 11.895 0.423 1.370 515 H ARG 61 H ARG 61 7.138 -3.496 -4.879 516 HA ARG 61 HA ARG 61 9.093 -5.162 -3.650 517 HB2 ARG 61 HB2 ARG 61 6.871 -5.857 -5.604 518 HB3 ARG 61 HB3 ARG 61 7.877 -7.062 -4.803 519 HG2 ARG 61 HG2 ARG 61 7.037 -6.324 -2.610 520 HG3 ARG 61 HG3 ARG 61 6.054 -5.086 -3.396 521 HD2 ARG 61 HD2 ARG 61 4.658 -6.984 -2.830 522 HD3 ARG 61 HD3 ARG 61 4.794 -6.873 -4.583 523 HE ARG 61 HE ARG 61 6.706 -8.638 -4.094 524 HH11 ARG 61 HH11 ARG 61 3.547 -8.538 -2.668 525 HH12 ARG 61 HH12 ARG 61 3.453 -10.261 -2.555 526 HH21 ARG 61 HH21 ARG 61 6.549 -10.822 -3.891 527 HH22 ARG 61 HH22 ARG 61 5.109 -11.531 -3.248 528 H ALA 62 H ALA 62 8.833 -3.839 -6.875 529 HA ALA 62 HA ALA 62 10.544 -5.617 -8.272 530 HB1 ALA 62 HB1 ALA 62 9.047 -4.039 -9.421 531 HB2 ALA 62 HB2 ALA 62 10.715 -3.838 -9.964 532 HB3 ALA 62 HB3 ALA 62 10.007 -2.681 -8.832 533 H LYS 63 H LYS 63 11.274 -2.510 -6.571 534 HA LYS 63 HA LYS 63 14.118 -2.631 -6.846 535 HB2 LYS 63 HB2 LYS 63 12.387 -1.236 -4.762 536 HB3 LYS 63 HB3 LYS 63 14.139 -1.130 -4.746 537 HG2 LYS 63 HG2 LYS 63 13.461 0.849 -5.789 538 HG3 LYS 63 HG3 LYS 63 13.965 -0.188 -7.125 539 HD2 LYS 63 HD2 LYS 63 11.575 -0.747 -7.559 540 HD3 LYS 63 HD3 LYS 63 11.096 0.324 -6.237 541 HE2 LYS 63 HE2 LYS 63 10.801 1.493 -8.337 542 HE3 LYS 63 HE3 LYS 63 12.149 2.234 -7.478 543 HZ1 LYS 63 HZ1 LYS 63 12.618 1.912 -9.824 544 HZ2 LYS 63 HZ2 LYS 63 12.391 0.245 -9.669 545 HZ3 LYS 63 HZ3 LYS 63 13.670 1.001 -8.869 546 H TRP 64 H TRP 64 11.893 -3.788 -4.380 547 HA TRP 64 HA TRP 64 13.663 -4.744 -2.426 548 HB2 TRP 64 HB2 TRP 64 11.303 -4.319 -1.984 549 HB3 TRP 64 HB3 TRP 64 10.818 -5.530 -3.155 550 HD1 TRP 64 HD1 TRP 64 12.251 -5.234 0.416 551 HE1 TRP 64 HE1 TRP 64 11.770 -7.437 1.644 552 HE3 TRP 64 HE3 TRP 64 10.403 -7.956 -3.489 553 HZ2 TRP 64 HZ2 TRP 64 10.740 -9.992 1.059 554 HZ3 TRP 64 HZ3 TRP 64 9.691 -10.283 -3.084 555 HH2 TRP 64 HH2 TRP 64 9.859 -11.280 -0.847 556 H ARG 65 H ARG 65 12.647 -6.205 -5.463 557 HA ARG 65 HA ARG 65 13.374 -8.895 -5.038 558 HB2 ARG 65 HB2 ARG 65 13.097 -7.186 -7.515 559 HB3 ARG 65 HB3 ARG 65 13.772 -8.802 -7.666 560 HG2 ARG 65 HG2 ARG 65 11.028 -8.152 -6.544 561 HG3 ARG 65 HG3 ARG 65 11.369 -8.750 -8.172 562 HD2 ARG 65 HD2 ARG 65 12.473 -10.775 -7.045 563 HD3 ARG 65 HD3 ARG 65 11.752 -10.204 -5.534 564 HE ARG 65 HE ARG 65 9.623 -10.310 -7.174 565 HH11 ARG 65 HH11 ARG 65 12.018 -12.699 -6.396 566 HH12 ARG 65 HH12 ARG 65 10.962 -14.008 -6.789 567 HH21 ARG 65 HH21 ARG 65 8.339 -11.999 -7.699 568 HH22 ARG 65 HH22 ARG 65 8.917 -13.616 -7.516 569 H LYS 66 H LYS 66 15.412 -6.117 -5.986 570 HA LYS 66 HA LYS 66 17.747 -7.766 -6.479 571 HB2 LYS 66 HB2 LYS 66 17.372 -4.755 -6.381 572 HB3 LYS 66 HB3 LYS 66 18.968 -5.477 -6.499 573 HG2 LYS 66 HG2 LYS 66 18.490 -5.036 -8.725 574 HG3 LYS 66 HG3 LYS 66 18.029 -6.729 -8.582 575 HD2 LYS 66 HD2 LYS 66 16.326 -5.616 -9.864 576 HD3 LYS 66 HD3 LYS 66 15.630 -5.976 -8.280 577 HE2 LYS 66 HE2 LYS 66 15.812 -3.683 -7.584 578 HE3 LYS 66 HE3 LYS 66 16.852 -3.274 -8.951 579 HZ1 LYS 66 HZ1 LYS 66 14.552 -2.523 -9.216 580 HZ2 LYS 66 HZ2 LYS 66 14.028 -4.129 -9.199 581 HZ3 LYS 66 HZ3 LYS 66 15.036 -3.583 -10.439 582 H ARG 67 H ARG 67 17.996 -8.938 -4.568 583 HA ARG 67 HA ARG 67 18.647 -7.739 -2.040 584 HB2 ARG 67 HB2 ARG 67 19.488 -10.048 -1.449 585 HB3 ARG 67 HB3 ARG 67 17.819 -10.006 -2.008 586 HG2 ARG 67 HG2 ARG 67 18.453 -10.906 -4.172 587 HG3 ARG 67 HG3 ARG 67 20.167 -10.776 -3.771 588 HD2 ARG 67 HD2 ARG 67 19.847 -12.444 -1.957 589 HD3 ARG 67 HD3 ARG 67 18.151 -12.604 -2.429 590 HE ARG 67 HE ARG 67 19.430 -13.142 -4.732 591 HH11 ARG 67 HH11 ARG 67 19.893 -14.427 -1.554 592 HH12 ARG 67 HH12 ARG 67 20.440 -15.950 -2.153 593 HH21 ARG 67 HH21 ARG 67 20.111 -15.100 -5.450 594 HH22 ARG 67 HH22 ARG 67 20.556 -16.324 -4.317 595 H GLU 68 H GLU 68 20.382 -6.444 -1.833 596 HA GLU 68 HA GLU 68 22.562 -6.571 -3.770 597 HB2 GLU 68 HB2 GLU 68 21.419 -4.432 -3.249 598 HB3 GLU 68 HB3 GLU 68 21.993 -4.530 -1.588 599 HG2 GLU 68 HG2 GLU 68 23.373 -2.974 -2.817 600 HG3 GLU 68 HG3 GLU 68 24.331 -4.391 -2.397 601 H ARG 69 H ARG 69 22.261 -6.601 -0.193 602 HA ARG 69 HA ARG 69 23.631 -7.154 1.517 603 HB2 ARG 69 HB2 ARG 69 23.512 -9.383 0.318 604 HB3 ARG 69 HB3 ARG 69 25.044 -8.994 -0.453 605 HG2 ARG 69 HG2 ARG 69 26.187 -9.008 1.709 606 HG3 ARG 69 HG3 ARG 69 24.655 -9.241 2.554 607 HD2 ARG 69 HD2 ARG 69 25.994 -11.213 0.665 608 HD3 ARG 69 HD3 ARG 69 25.876 -11.351 2.425 609 HE ARG 69 HE ARG 69 23.381 -11.194 0.899 610 HH11 ARG 69 HH11 ARG 69 25.530 -13.214 2.690 611 HH12 ARG 69 HH12 ARG 69 24.374 -14.488 2.811 612 HH21 ARG 69 HH21 ARG 69 21.940 -12.814 1.084 613 HH22 ARG 69 HH22 ARG 69 22.379 -14.270 1.905 614 H PHE 70 H PHE 70 24.211 -4.803 0.382 615 HA PHE 70 HA PHE 70 26.936 -4.454 -0.453 616 HB2 PHE 70 HB2 PHE 70 24.997 -3.042 -1.218 617 HB3 PHE 70 HB3 PHE 70 24.912 -2.330 0.383 618 HD1 PHE 70 HD2 PHE 70 27.549 -2.985 -2.235 619 HD2 PHE 70 HD1 PHE 70 25.878 -0.186 0.546 620 HE1 PHE 70 HE2 PHE 70 29.174 -1.286 -2.955 621 HE2 PHE 70 HE1 PHE 70 27.510 1.505 -0.192 622 HZ PHE 70 HZ PHE 70 29.155 0.957 -1.940 623 H GLY 71 H GLY 71 25.182 -3.971 2.612 624 HA2 GLY 71 HA2 GLY 71 27.599 -4.044 4.167 625 HA3 GLY 71 HA3 GLY 71 26.952 -2.410 4.059 626 H GLN 72 H GLN 72 27.005 -2.851 6.442 627 HA GLN 72 HA GLN 72 25.113 -4.692 7.610 628 HB2 GLN 72 HB2 GLN 72 26.903 -2.569 8.860 629 HB3 GLN 72 HB3 GLN 72 25.928 -3.712 9.783 630 HG2 GLN 72 HG2 GLN 72 28.138 -4.499 7.852 631 HG3 GLN 72 HG3 GLN 72 28.329 -4.360 9.602 632 HE21 GLN 72 HE21 GLN 72 27.330 -5.904 10.947 633 HE22 GLN 72 HE22 GLN 72 26.776 -7.421 10.338 634 H MET 73 H MET 73 24.945 -1.347 6.646 635 HA MET 73 HA MET 73 22.498 -0.830 8.192 636 HB2 MET 73 HB2 MET 73 24.153 1.006 7.859 637 HB3 MET 73 HB3 MET 73 23.926 0.902 6.120 638 HG2 MET 73 HG2 MET 73 21.612 1.640 6.340 639 HG3 MET 73 HG3 MET 73 21.759 1.664 8.099 640 HE1 MET 73 HE1 MET 73 23.104 3.504 9.455 641 HE2 MET 73 HE2 MET 73 24.184 4.673 8.695 642 HE3 MET 73 HE3 MET 73 24.578 2.955 8.658 643 H GLN 74 H GLN 74 21.143 -2.426 7.378 644 HA GLN 74 HA GLN 74 19.666 -3.539 6.090 645 HB2 GLN 74 HB2 GLN 74 18.552 -1.340 6.015 646 HB3 GLN 74 HB3 GLN 74 19.505 -0.880 4.608 647 HG2 GLN 74 HG2 GLN 74 18.395 -2.672 3.288 648 HG3 GLN 74 HG3 GLN 74 17.423 -3.094 4.699 649 HE21 GLN 74 HE21 GLN 74 15.504 -2.644 3.563 650 HE22 GLN 74 HE22 GLN 74 14.998 -1.032 3.209 651 H GLN 75 H GLN 75 20.610 -5.204 5.010 652 HA GLN 75 HA GLN 75 22.838 -5.245 3.435 653 HB2 GLN 75 HB2 GLN 75 20.498 -7.192 3.409 654 HB3 GLN 75 HB3 GLN 75 22.035 -7.528 2.626 655 HG2 GLN 75 HG2 GLN 75 21.620 -7.079 5.602 656 HG3 GLN 75 HG3 GLN 75 21.874 -8.636 4.815 657 HE21 GLN 75 HE21 GLN 75 23.483 -7.355 6.915 658 HE22 GLN 75 HE22 GLN 75 25.082 -7.230 6.278 Start of MODEL 2 1 H1 SER 1 H1 SER 1 2.688 17.126 14.602 2 H2 SER 1 H2 SER 1 3.347 15.903 15.563 3 H3 SER 1 H3 SER 1 2.353 15.505 14.257 4 HA SER 1 HA SER 1 3.941 16.366 12.707 5 HB2 SER 1 HB2 SER 1 6.202 17.076 13.533 6 HB3 SER 1 HB3 SER 1 4.915 18.143 14.085 7 HG SER 1 HG SER 1 6.683 17.063 15.580 8 H HIS 2 H HIS 2 4.819 14.633 11.674 9 HA HIS 2 HA HIS 2 5.542 12.210 13.159 10 HB2 HIS 2 HB2 HIS 2 4.127 12.007 11.109 11 HB3 HIS 2 HB3 HIS 2 5.429 12.693 10.140 12 HD1 HIS 2 HD1 HIS 2 4.639 9.627 12.223 13 HD2 HIS 2 HD2 HIS 2 7.314 10.851 9.285 14 HE1 HIS 2 HE1 HIS 2 5.941 7.581 11.609 15 HE2 HIS 2 HE2 HIS 2 7.402 8.300 9.696 16 H MET 3 H MET 3 7.603 11.727 13.677 17 HA MET 3 HA MET 3 9.805 13.467 12.956 18 HB2 MET 3 HB2 MET 3 9.849 10.921 14.643 19 HB3 MET 3 HB3 MET 3 11.093 12.170 14.597 20 HG2 MET 3 HG2 MET 3 8.278 12.462 15.682 21 HG3 MET 3 HG3 MET 3 9.777 12.409 16.615 22 HE1 MET 3 HE1 MET 3 8.427 16.147 16.920 23 HE2 MET 3 HE2 MET 3 8.800 14.679 17.824 24 HE3 MET 3 HE3 MET 3 7.419 14.714 16.724 25 H SER 4 H SER 4 11.894 12.678 12.160 26 HA SER 4 HA SER 4 11.818 10.294 10.404 27 HB2 SER 4 HB2 SER 4 11.245 12.251 8.977 28 HB3 SER 4 HB3 SER 4 12.711 13.076 9.500 29 HG SER 4 HG SER 4 13.828 11.939 8.111 30 H ASN 5 H ASN 5 13.966 9.664 9.614 31 HA ASN 5 HA ASN 5 15.966 9.619 11.670 32 HB2 ASN 5 HB2 ASN 5 15.533 7.698 10.133 33 HB3 ASN 5 HB3 ASN 5 16.118 8.648 8.773 34 HD21 ASN 5 HD21 ASN 5 17.014 6.944 11.672 35 HD22 ASN 5 HD22 ASN 5 18.705 6.874 11.339 36 H LYS 6 H LYS 6 17.965 10.678 11.741 37 HA LYS 6 HA LYS 6 18.061 13.305 10.629 38 HB2 LYS 6 HB2 LYS 6 20.195 11.796 12.213 39 HB3 LYS 6 HB3 LYS 6 20.265 13.508 11.819 40 HG2 LYS 6 HG2 LYS 6 19.500 13.550 14.019 41 HG3 LYS 6 HG3 LYS 6 18.004 13.685 13.105 42 HD2 LYS 6 HD2 LYS 6 17.445 12.109 14.757 43 HD3 LYS 6 HD3 LYS 6 17.859 11.072 13.391 44 HE2 LYS 6 HE2 LYS 6 19.681 11.752 15.733 45 HE3 LYS 6 HE3 LYS 6 18.837 10.223 15.500 46 HZ1 LYS 6 HZ1 LYS 6 20.160 9.900 13.468 47 HZ2 LYS 6 HZ2 LYS 6 21.116 10.030 14.850 48 HZ3 LYS 6 HZ3 LYS 6 20.993 11.336 13.791 49 H GLY 7 H GLY 7 18.863 13.942 8.725 50 HA2 GLY 7 HA2 GLY 7 20.428 14.079 6.964 51 HA3 GLY 7 HA3 GLY 7 21.056 12.491 7.375 52 H LYS 8 H LYS 8 18.298 11.335 7.485 53 HA LYS 8 HA LYS 8 17.990 10.662 4.679 54 HB2 LYS 8 HB2 LYS 8 17.844 8.950 6.502 55 HB3 LYS 8 HB3 LYS 8 16.388 9.735 7.104 56 HG2 LYS 8 HG2 LYS 8 15.203 9.185 5.011 57 HG3 LYS 8 HG3 LYS 8 16.676 8.453 4.361 58 HD2 LYS 8 HD2 LYS 8 16.624 6.771 6.206 59 HD3 LYS 8 HD3 LYS 8 15.121 7.485 6.796 60 HE2 LYS 8 HE2 LYS 8 13.969 6.848 4.733 61 HE3 LYS 8 HE3 LYS 8 15.478 6.240 4.043 62 HZ1 LYS 8 HZ1 LYS 8 14.100 5.160 6.437 63 HZ2 LYS 8 HZ2 LYS 8 15.566 4.594 5.812 64 HZ3 LYS 8 HZ3 LYS 8 14.149 4.450 4.907 65 H LYS 9 H LYS 9 17.170 12.390 3.597 66 HA LYS 9 HA LYS 9 14.763 13.820 4.546 67 HB2 LYS 9 HB2 LYS 9 16.734 14.544 2.330 68 HB3 LYS 9 HB3 LYS 9 15.441 15.575 2.945 69 HG2 LYS 9 HG2 LYS 9 16.569 15.673 5.144 70 HG3 LYS 9 HG3 LYS 9 17.859 14.630 4.529 71 HD2 LYS 9 HD2 LYS 9 18.457 16.356 2.859 72 HD3 LYS 9 HD3 LYS 9 17.159 17.397 3.455 73 HE2 LYS 9 HE2 LYS 9 18.294 17.498 5.669 74 HE3 LYS 9 HE3 LYS 9 19.602 16.497 5.031 75 HZ1 LYS 9 HZ1 LYS 9 20.050 18.240 3.397 76 HZ2 LYS 9 HZ2 LYS 9 20.197 18.809 4.979 77 HZ3 LYS 9 HZ3 LYS 9 18.829 19.198 4.069 78 H ARG 10 H ARG 10 14.712 11.115 3.205 79 HA ARG 10 HA ARG 10 13.853 11.427 0.488 80 HB2 ARG 10 HB2 ARG 10 14.996 9.383 1.409 81 HB3 ARG 10 HB3 ARG 10 13.549 9.007 2.332 82 HG2 ARG 10 HG2 ARG 10 13.368 9.270 -0.677 83 HG3 ARG 10 HG3 ARG 10 14.050 7.805 0.025 84 HD2 ARG 10 HD2 ARG 10 11.257 8.890 0.575 85 HD3 ARG 10 HD3 ARG 10 11.641 7.548 -0.503 86 HE ARG 10 HE ARG 10 12.554 6.426 1.572 87 HH11 ARG 10 HH11 ARG 10 10.057 8.798 1.938 88 HH12 ARG 10 HH12 ARG 10 9.354 7.990 3.291 89 HH21 ARG 10 HH21 ARG 10 11.618 5.432 3.314 90 HH22 ARG 10 HH22 ARG 10 10.222 6.129 4.054 91 H ARG 11 H ARG 11 12.145 12.959 0.581 92 HA ARG 11 HA ARG 11 9.493 11.763 1.121 93 HB2 ARG 11 HB2 ARG 11 10.266 14.630 1.856 94 HB3 ARG 11 HB3 ARG 11 8.632 13.972 1.918 95 HG2 ARG 11 HG2 ARG 11 9.401 12.352 3.669 96 HG3 ARG 11 HG3 ARG 11 10.989 13.127 3.639 97 HD2 ARG 11 HD2 ARG 11 8.353 14.421 4.418 98 HD3 ARG 11 HD3 ARG 11 9.673 13.985 5.507 99 HE ARG 11 HE ARG 11 10.768 15.704 3.642 100 HH11 ARG 11 HH11 ARG 11 8.254 15.952 6.009 101 HH12 ARG 11 HH12 ARG 11 8.499 17.647 6.222 102 HH21 ARG 11 HH21 ARG 11 11.059 17.852 3.953 103 HH22 ARG 11 HH22 ARG 11 10.060 18.708 5.078 104 H ASN 12 H ASN 12 8.233 11.908 -0.664 105 HA ASN 12 HA ASN 12 9.043 13.664 -2.908 106 HB2 ASN 12 HB2 ASN 12 7.351 11.123 -2.927 107 HB3 ASN 12 HB3 ASN 12 7.797 12.064 -4.352 108 HD21 ASN 12 HD21 ASN 12 8.415 9.264 -3.698 109 HD22 ASN 12 HD22 ASN 12 10.135 9.142 -3.749 110 H ARG 13 H ARG 13 7.917 15.521 -2.902 111 HA ARG 13 HA ARG 13 5.162 15.714 -1.949 112 HB2 ARG 13 HB2 ARG 13 5.430 18.143 -2.265 113 HB3 ARG 13 HB3 ARG 13 6.784 17.475 -1.358 114 HG2 ARG 13 HG2 ARG 13 8.180 17.532 -3.418 115 HG3 ARG 13 HG3 ARG 13 6.822 18.228 -4.305 116 HD2 ARG 13 HD2 ARG 13 6.879 20.210 -2.816 117 HD3 ARG 13 HD3 ARG 13 8.244 19.505 -1.939 118 HE ARG 13 HE ARG 13 8.791 19.723 -4.733 119 HH11 ARG 13 HH11 ARG 13 8.714 21.644 -1.858 120 HH12 ARG 13 HH12 ARG 13 9.853 22.783 -2.478 121 HH21 ARG 13 HH21 ARG 13 10.215 21.192 -5.491 122 HH22 ARG 13 HH22 ARG 13 10.694 22.523 -4.499 123 H THR 14 H THR 14 6.508 14.849 -4.876 124 HA THR 14 HA THR 14 4.791 16.311 -6.714 125 HB THR 14 HB THR 14 5.893 14.950 -8.487 126 HG1 THR 14 HG1 THR 14 7.388 13.387 -7.964 127 HG21 THR 14 HG21 THR 14 8.189 15.795 -8.179 128 HG22 THR 14 HG22 THR 14 7.861 16.094 -6.472 129 HG23 THR 14 HG23 THR 14 7.005 17.017 -7.710 130 H THR 15 H THR 15 5.233 12.823 -6.010 131 HA THR 15 HA THR 15 2.322 12.354 -6.382 132 HB THR 15 HB THR 15 4.538 10.391 -7.172 133 HG1 THR 15 HG1 THR 15 4.591 11.565 -8.925 134 HG21 THR 15 HG21 THR 15 2.700 9.093 -8.232 135 HG22 THR 15 HG22 THR 15 1.523 10.258 -7.623 136 HG23 THR 15 HG23 THR 15 2.434 9.254 -6.493 137 H PHE 16 H PHE 16 1.381 11.068 -4.810 138 HA PHE 16 HA PHE 16 0.956 10.362 -2.710 139 HB2 PHE 16 HB2 PHE 16 3.847 9.382 -2.653 140 HB3 PHE 16 HB3 PHE 16 2.598 8.944 -1.496 141 HD1 PHE 16 HD1 PHE 16 0.578 7.593 -2.319 142 HD2 PHE 16 HD2 PHE 16 4.090 8.153 -4.695 143 HE1 PHE 16 HE1 PHE 16 -0.044 5.668 -3.722 144 HE2 PHE 16 HE2 PHE 16 3.453 6.233 -6.091 145 HZ PHE 16 HZ PHE 16 1.386 4.987 -5.603 146 H THR 17 H THR 17 1.388 10.787 -0.373 147 HA THR 17 HA THR 17 3.090 13.186 0.127 148 HB THR 17 HB THR 17 1.656 13.777 2.013 149 HG1 THR 17 HG1 THR 17 -0.416 12.360 2.090 150 HG21 THR 17 HG21 THR 17 0.887 14.598 -0.187 151 HG22 THR 17 HG22 THR 17 -0.479 14.275 0.881 152 HG23 THR 17 HG23 THR 17 -0.081 13.134 -0.404 153 H SER 18 H SER 18 3.856 13.277 2.481 154 HA SER 18 HA SER 18 5.479 11.079 3.159 155 HB2 SER 18 HB2 SER 18 5.903 12.289 5.305 156 HB3 SER 18 HB3 SER 18 6.005 13.363 3.910 157 HG SER 18 HG SER 18 4.650 14.521 5.032 158 H TYR 19 H TYR 19 2.395 12.171 4.613 159 HA TYR 19 HA TYR 19 1.981 10.178 6.529 160 HB2 TYR 19 HB2 TYR 19 0.527 12.087 6.559 161 HB3 TYR 19 HB3 TYR 19 0.014 11.825 4.898 162 HD1 TYR 19 HD2 TYR 19 -0.142 10.219 8.302 163 HD2 TYR 19 HD1 TYR 19 -2.029 10.651 4.482 164 HE1 TYR 19 HE2 TYR 19 -2.070 8.917 9.095 165 HE2 TYR 19 HE1 TYR 19 -3.943 9.337 5.279 166 HH TYR 19 HH TYR 19 -4.423 7.651 7.035 167 H GLN 20 H GLN 20 0.856 10.209 3.114 168 HA GLN 20 HA GLN 20 -0.495 7.740 3.121 169 HB2 GLN 20 HB2 GLN 20 0.838 9.211 0.805 170 HB3 GLN 20 HB3 GLN 20 -0.205 7.799 0.604 171 HG2 GLN 20 HG2 GLN 20 -2.094 9.007 1.565 172 HG3 GLN 20 HG3 GLN 20 -1.074 10.410 1.884 173 HE21 GLN 20 HE21 GLN 20 -3.473 10.343 0.313 174 HE22 GLN 20 HE22 GLN 20 -3.045 10.829 -1.284 175 H LEU 21 H LEU 21 2.881 8.474 2.156 176 HA LEU 21 HA LEU 21 3.697 5.865 1.506 177 HB2 LEU 21 HB2 LEU 21 5.321 8.218 2.535 178 HB3 LEU 21 HB3 LEU 21 6.052 6.715 1.987 179 HG LEU 21 HG LEU 21 4.422 8.636 0.271 180 HD11 LEU 21 HD11 LEU 21 7.393 8.009 0.220 181 HD12 LEU 21 HD12 LEU 21 6.646 9.507 0.790 182 HD13 LEU 21 HD13 LEU 21 6.531 9.062 -0.911 183 HD21 LEU 21 HD21 LEU 21 4.028 6.330 -0.451 184 HD22 LEU 21 HD22 LEU 21 5.765 6.028 -0.534 185 HD23 LEU 21 HD23 LEU 21 5.013 7.185 -1.637 186 H GLU 22 H GLU 22 3.501 7.455 4.689 187 HA GLU 22 HA GLU 22 4.913 5.498 6.198 188 HB2 GLU 22 HB2 GLU 22 2.716 7.436 7.047 189 HB3 GLU 22 HB3 GLU 22 3.566 6.387 8.179 190 HG2 GLU 22 HG2 GLU 22 4.769 8.605 6.507 191 HG3 GLU 22 HG3 GLU 22 4.520 8.599 8.251 192 H GLU 23 H GLU 23 1.389 5.913 5.621 193 HA GLU 23 HA GLU 23 0.489 3.625 7.006 194 HB2 GLU 23 HB2 GLU 23 -0.807 4.980 4.605 195 HB3 GLU 23 HB3 GLU 23 -1.619 3.882 5.718 196 HG2 GLU 23 HG2 GLU 23 -0.499 6.625 6.400 197 HG3 GLU 23 HG3 GLU 23 -2.197 6.224 6.157 198 H LEU 24 H LEU 24 1.229 4.064 3.561 199 HA LEU 24 HA LEU 24 0.690 1.517 2.542 200 HB2 LEU 24 HB2 LEU 24 2.753 3.584 1.705 201 HB3 LEU 24 HB3 LEU 24 2.374 2.165 0.744 202 HG LEU 24 HG LEU 24 0.280 4.270 1.445 203 HD11 LEU 24 HD11 LEU 24 0.593 5.234 -0.789 204 HD12 LEU 24 HD12 LEU 24 1.963 4.156 -1.077 205 HD13 LEU 24 HD13 LEU 24 2.054 5.385 0.187 206 HD21 LEU 24 HD21 LEU 24 -0.975 3.311 -0.437 207 HD22 LEU 24 HD22 LEU 24 -0.629 2.092 0.784 208 HD23 LEU 24 HD23 LEU 24 0.309 2.127 -0.709 209 H GLU 25 H GLU 25 3.768 2.823 3.820 210 HA GLU 25 HA GLU 25 5.350 0.487 3.625 211 HB2 GLU 25 HB2 GLU 25 5.575 3.081 5.151 212 HB3 GLU 25 HB3 GLU 25 6.659 1.769 5.592 213 HG2 GLU 25 HG2 GLU 25 6.413 2.831 2.767 214 HG3 GLU 25 HG3 GLU 25 7.566 3.459 3.946 215 H LYS 26 H LYS 26 3.207 1.621 6.234 216 HA LYS 26 HA LYS 26 3.986 -0.157 8.274 217 HB2 LYS 26 HB2 LYS 26 1.372 1.260 7.677 218 HB3 LYS 26 HB3 LYS 26 1.513 0.190 9.070 219 HG2 LYS 26 HG2 LYS 26 3.125 1.588 10.125 220 HG3 LYS 26 HG3 LYS 26 3.435 2.491 8.644 221 HD2 LYS 26 HD2 LYS 26 2.108 3.795 10.292 222 HD3 LYS 26 HD3 LYS 26 1.262 3.564 8.763 223 HE2 LYS 26 HE2 LYS 26 -0.116 1.786 9.780 224 HE3 LYS 26 HE3 LYS 26 0.756 1.969 11.305 225 HZ1 LYS 26 HZ1 LYS 26 -0.098 4.165 11.542 226 HZ2 LYS 26 HZ2 LYS 26 -1.398 3.130 11.233 227 HZ3 LYS 26 HZ3 LYS 26 -0.802 4.131 10.006 228 H VAL 27 H VAL 27 1.753 -0.640 5.562 229 HA VAL 27 HA VAL 27 1.014 -3.336 6.353 230 HB VAL 27 HB VAL 27 0.570 -1.924 3.683 231 HG11 VAL 27 HG11 VAL 27 -1.220 -3.613 3.311 232 HG12 VAL 27 HG12 VAL 27 -0.767 -4.425 4.810 233 HG13 VAL 27 HG13 VAL 27 0.368 -4.377 3.459 234 HG21 VAL 27 HG21 VAL 27 -1.716 -1.438 4.519 235 HG22 VAL 27 HG22 VAL 27 -0.487 -0.675 5.531 236 HG23 VAL 27 HG23 VAL 27 -1.298 -2.145 6.084 237 H PHE 28 H PHE 28 3.298 -1.855 4.057 238 HA PHE 28 HA PHE 28 4.100 -4.154 2.615 239 HB2 PHE 28 HB2 PHE 28 4.491 -1.838 1.848 240 HB3 PHE 28 HB3 PHE 28 5.642 -1.576 3.152 241 HD1 PHE 28 HD1 PHE 28 5.040 -3.720 0.130 242 HD2 PHE 28 HD2 PHE 28 7.955 -2.017 2.766 243 HE1 PHE 28 HE1 PHE 28 6.845 -4.512 -1.341 244 HE2 PHE 28 HE2 PHE 28 9.751 -2.813 1.283 245 HZ PHE 28 HZ PHE 28 9.198 -4.060 -0.769 246 H GLN 29 H GLN 29 5.407 -2.725 5.577 247 HA GLN 29 HA GLN 29 7.722 -4.407 5.758 248 HB2 GLN 29 HB2 GLN 29 6.438 -2.596 7.844 249 HB3 GLN 29 HB3 GLN 29 8.007 -3.381 8.025 250 HG2 GLN 29 HG2 GLN 29 7.293 -1.323 5.905 251 HG3 GLN 29 HG3 GLN 29 8.218 -1.001 7.370 252 HE21 GLN 29 HE21 GLN 29 8.939 -0.712 4.497 253 HE22 GLN 29 HE22 GLN 29 10.387 -1.629 4.302 254 H LYS 30 H LYS 30 4.417 -4.594 7.004 255 HA LYS 30 HA LYS 30 4.871 -6.873 8.717 256 HB2 LYS 30 HB2 LYS 30 2.289 -5.835 7.470 257 HB3 LYS 30 HB3 LYS 30 2.369 -7.132 8.663 258 HG2 LYS 30 HG2 LYS 30 3.377 -5.516 10.289 259 HG3 LYS 30 HG3 LYS 30 3.157 -4.228 9.101 260 HD2 LYS 30 HD2 LYS 30 0.961 -5.886 10.408 261 HD3 LYS 30 HD3 LYS 30 1.337 -4.196 10.750 262 HE2 LYS 30 HE2 LYS 30 0.677 -3.589 8.434 263 HE3 LYS 30 HE3 LYS 30 0.312 -5.282 8.098 264 HZ1 LYS 30 HZ1 LYS 30 -1.361 -5.183 9.877 265 HZ2 LYS 30 HZ2 LYS 30 -1.685 -4.132 8.595 266 HZ3 LYS 30 HZ3 LYS 30 -1.059 -3.527 10.044 267 H THR 31 H THR 31 3.596 -6.453 5.403 268 HA THR 31 HA THR 31 4.507 -9.117 4.640 269 HB THR 31 HB THR 31 2.249 -9.670 5.360 270 HG1 THR 31 HG1 THR 31 1.375 -10.286 3.192 271 HG21 THR 31 HG21 THR 31 0.221 -8.655 4.369 272 HG22 THR 31 HG22 THR 31 1.222 -7.520 3.460 273 HG23 THR 31 HG23 THR 31 1.175 -7.438 5.224 274 H HIS 32 H HIS 32 5.215 -9.180 2.605 275 HA HIS 32 HA HIS 32 5.151 -6.826 0.894 276 HB2 HIS 32 HB2 HIS 32 6.432 -9.569 0.492 277 HB3 HIS 32 HB3 HIS 32 6.655 -8.183 -0.579 278 HD1 HIS 32 HD1 HIS 32 7.512 -9.397 2.895 279 HD2 HIS 32 HD2 HIS 32 8.493 -6.301 0.307 280 HE1 HIS 32 HE1 HIS 32 9.425 -8.196 3.981 281 HE2 HIS 32 HE2 HIS 32 9.926 -6.270 2.454 282 H TYR 33 H TYR 33 3.146 -9.494 1.355 283 HA TYR 33 HA TYR 33 1.885 -9.240 -1.320 284 HB2 TYR 33 HB2 TYR 33 1.857 -11.682 0.520 285 HB3 TYR 33 HB3 TYR 33 1.125 -11.572 -1.077 286 HD1 TYR 33 HD2 TYR 33 2.547 -11.572 -3.119 287 HD2 TYR 33 HD1 TYR 33 4.291 -12.014 0.764 288 HE1 TYR 33 HE2 TYR 33 4.639 -12.360 -4.143 289 HE2 TYR 33 HE1 TYR 33 6.386 -12.794 -0.264 290 HH TYR 33 HH TYR 33 7.145 -13.823 -2.359 291 HA PRO 34 HA PRO 34 -1.145 -7.680 1.867 292 HB2 PRO 34 HB2 PRO 34 -2.127 -5.565 0.493 293 HB3 PRO 34 HB3 PRO 34 -0.539 -5.501 1.275 294 HG2 PRO 34 HG2 PRO 34 -1.194 -6.033 -1.630 295 HG3 PRO 34 HG3 PRO 34 0.030 -4.939 -0.949 296 HD2 PRO 34 HD2 PRO 34 0.634 -7.460 -1.858 297 HD3 PRO 34 HD3 PRO 34 1.541 -6.668 -0.551 298 H ASP 35 H ASP 35 -3.158 -8.501 2.094 299 HA ASP 35 HA ASP 35 -4.593 -9.902 0.082 300 HB2 ASP 35 HB2 ASP 35 -5.669 -8.795 2.711 301 HB3 ASP 35 HB3 ASP 35 -6.368 -10.106 1.760 302 H VAL 36 H VAL 36 -6.762 -9.385 -0.742 303 HA VAL 36 HA VAL 36 -7.092 -6.842 -1.870 304 HB VAL 36 HB VAL 36 -8.163 -8.861 -2.788 305 HG11 VAL 36 HG11 VAL 36 -8.846 -9.998 -0.721 306 HG12 VAL 36 HG12 VAL 36 -10.218 -9.837 -1.818 307 HG13 VAL 36 HG13 VAL 36 -10.076 -8.766 -0.422 308 HG21 VAL 36 HG21 VAL 36 -9.055 -6.673 -3.482 309 HG22 VAL 36 HG22 VAL 36 -10.202 -6.692 -2.140 310 HG23 VAL 36 HG23 VAL 36 -10.345 -7.880 -3.437 311 H TYR 37 H TYR 37 -8.323 -8.145 1.175 312 HA TYR 37 HA TYR 37 -10.018 -5.942 1.876 313 HB2 TYR 37 HB2 TYR 37 -10.125 -8.354 2.788 314 HB3 TYR 37 HB3 TYR 37 -8.780 -7.921 3.836 315 HD1 TYR 37 HD2 TYR 37 -12.327 -7.166 3.023 316 HD2 TYR 37 HD1 TYR 37 -9.177 -6.614 5.861 317 HE1 TYR 37 HE2 TYR 37 -13.936 -6.226 4.625 318 HE2 TYR 37 HE1 TYR 37 -10.792 -5.678 7.460 319 HH TYR 37 HH TYR 37 -13.019 -4.529 7.370 320 H ALA 38 H ALA 38 -6.631 -6.773 2.532 321 HA ALA 38 HA ALA 38 -5.952 -4.670 4.306 322 HB1 ALA 38 HB1 ALA 38 -3.612 -5.126 3.670 323 HB2 ALA 38 HB2 ALA 38 -4.163 -6.091 2.296 324 HB3 ALA 38 HB3 ALA 38 -4.498 -6.631 3.942 325 H ARG 39 H ARG 39 -5.989 -4.865 0.762 326 HA ARG 39 HA ARG 39 -4.875 -2.338 0.107 327 HB2 ARG 39 HB2 ARG 39 -6.885 -4.033 -1.440 328 HB3 ARG 39 HB3 ARG 39 -5.967 -2.687 -2.123 329 HG2 ARG 39 HG2 ARG 39 -3.887 -3.893 -1.894 330 HG3 ARG 39 HG3 ARG 39 -4.661 -5.161 -0.941 331 HD2 ARG 39 HD2 ARG 39 -6.083 -5.694 -2.972 332 HD3 ARG 39 HD3 ARG 39 -5.067 -4.578 -3.895 333 HE ARG 39 HE ARG 39 -3.195 -6.164 -2.939 334 HH11 ARG 39 HH11 ARG 39 -6.252 -7.116 -4.262 335 HH12 ARG 39 HH12 ARG 39 -5.654 -8.648 -4.788 336 HH21 ARG 39 HH21 ARG 39 -2.471 -8.121 -3.643 337 HH22 ARG 39 HH22 ARG 39 -3.552 -9.208 -4.440 338 H GLU 40 H GLU 40 -8.228 -3.390 0.721 339 HA GLU 40 HA GLU 40 -9.589 -0.990 0.105 340 HB2 GLU 40 HB2 GLU 40 -10.330 -3.244 2.016 341 HB3 GLU 40 HB3 GLU 40 -11.419 -1.918 1.608 342 HG2 GLU 40 HG2 GLU 40 -10.266 -3.915 -0.362 343 HG3 GLU 40 HG3 GLU 40 -11.890 -3.969 0.318 344 H GLN 41 H GLN 41 -8.660 -2.253 3.345 345 HA GLN 41 HA GLN 41 -9.440 -0.064 4.917 346 HB2 GLN 41 HB2 GLN 41 -7.133 -1.989 5.421 347 HB3 GLN 41 HB3 GLN 41 -7.861 -0.940 6.639 348 HG2 GLN 41 HG2 GLN 41 -9.994 -2.159 6.407 349 HG3 GLN 41 HG3 GLN 41 -9.273 -3.207 5.188 350 HE21 GLN 41 HE21 GLN 41 -7.634 -4.702 5.861 351 HE22 GLN 41 HE22 GLN 41 -7.507 -5.195 7.509 352 H LEU 42 H LEU 42 -6.359 -0.725 3.331 353 HA LEU 42 HA LEU 42 -4.876 1.477 4.334 354 HB2 LEU 42 HB2 LEU 42 -3.869 -0.582 3.439 355 HB3 LEU 42 HB3 LEU 42 -4.488 -0.211 1.840 356 HG LEU 42 HG LEU 42 -2.978 1.712 1.644 357 HD11 LEU 42 HD11 LEU 42 -2.957 2.459 3.978 358 HD12 LEU 42 HD12 LEU 42 -1.320 2.250 3.363 359 HD13 LEU 42 HD13 LEU 42 -2.013 1.037 4.441 360 HD21 LEU 42 HD21 LEU 42 -2.131 -0.487 0.955 361 HD22 LEU 42 HD22 LEU 42 -1.513 -0.780 2.582 362 HD23 LEU 42 HD23 LEU 42 -0.830 0.514 1.597 363 H ALA 43 H ALA 43 -6.776 1.029 1.345 364 HA ALA 43 HA ALA 43 -6.179 3.519 0.101 365 HB1 ALA 43 HB1 ALA 43 -8.136 3.064 -1.321 366 HB2 ALA 43 HB2 ALA 43 -8.655 1.782 -0.221 367 HB3 ALA 43 HB3 ALA 43 -7.149 1.614 -1.126 368 H MET 44 H MET 44 -8.585 2.583 2.517 369 HA MET 44 HA MET 44 -10.080 5.028 2.597 370 HB2 MET 44 HB2 MET 44 -9.691 2.920 4.768 371 HB3 MET 44 HB3 MET 44 -10.907 4.192 4.799 372 HG2 MET 44 HG2 MET 44 -12.074 3.213 2.936 373 HG3 MET 44 HG3 MET 44 -10.775 2.044 2.675 374 HE1 MET 44 HE1 MET 44 -12.364 -0.067 2.743 375 HE2 MET 44 HE2 MET 44 -13.759 1.006 2.887 376 HE3 MET 44 HE3 MET 44 -13.568 -0.349 4.002 377 H ARG 45 H ARG 45 -7.234 3.829 4.384 378 HA ARG 45 HA ARG 45 -6.911 5.980 6.219 379 HB2 ARG 45 HB2 ARG 45 -4.874 4.003 5.094 380 HB3 ARG 45 HB3 ARG 45 -4.514 5.125 6.403 381 HG2 ARG 45 HG2 ARG 45 -6.644 2.963 6.515 382 HG3 ARG 45 HG3 ARG 45 -5.016 2.819 7.184 383 HD2 ARG 45 HD2 ARG 45 -5.473 4.710 8.708 384 HD3 ARG 45 HD3 ARG 45 -7.103 4.861 8.038 385 HE ARG 45 HE ARG 45 -7.201 2.356 8.846 386 HH11 ARG 45 HH11 ARG 45 -5.824 5.015 10.571 387 HH12 ARG 45 HH12 ARG 45 -6.202 4.335 12.112 388 HH21 ARG 45 HH21 ARG 45 -7.673 1.523 10.813 389 HH22 ARG 45 HH22 ARG 45 -7.230 2.382 12.246 390 H THR 46 H THR 46 -5.580 5.403 2.985 391 HA THR 46 HA THR 46 -3.936 7.844 3.060 392 HB THR 46 HB THR 46 -2.950 6.964 0.944 393 HG1 THR 46 HG1 THR 46 -4.093 4.461 1.156 394 HG21 THR 46 HG21 THR 46 -3.018 4.880 3.164 395 HG22 THR 46 HG22 THR 46 -1.941 6.280 3.104 396 HG23 THR 46 HG23 THR 46 -1.798 5.003 1.892 397 H ASP 47 H ASP 47 -7.052 7.024 2.005 398 HA ASP 47 HA ASP 47 -8.622 7.911 0.642 399 HB2 ASP 47 HB2 ASP 47 -6.775 10.331 0.640 400 HB3 ASP 47 HB3 ASP 47 -8.394 10.343 -0.052 401 H LEU 48 H LEU 48 -6.192 6.480 -0.517 402 HA LEU 48 HA LEU 48 -6.154 7.430 -3.300 403 HB2 LEU 48 HB2 LEU 48 -4.690 5.084 -2.008 404 HB3 LEU 48 HB3 LEU 48 -4.416 5.703 -3.633 405 HG LEU 48 HG LEU 48 -3.827 7.206 -1.046 406 HD11 LEU 48 HD11 LEU 48 -2.269 5.361 -1.376 407 HD12 LEU 48 HD12 LEU 48 -1.456 6.906 -1.613 408 HD13 LEU 48 HD13 LEU 48 -1.903 5.922 -3.011 409 HD21 LEU 48 HD21 LEU 48 -2.719 8.894 -2.477 410 HD22 LEU 48 HD22 LEU 48 -4.447 8.783 -2.796 411 HD23 LEU 48 HD23 LEU 48 -3.299 8.049 -3.916 412 H THR 49 H THR 49 -6.297 5.603 -4.999 413 HA THR 49 HA THR 49 -8.692 3.962 -4.592 414 HB THR 49 HB THR 49 -8.423 3.355 -7.012 415 HG1 THR 49 HG1 THR 49 -6.585 5.163 -7.754 416 HG21 THR 49 HG21 THR 49 -9.744 5.366 -6.454 417 HG22 THR 49 HG22 THR 49 -8.870 5.596 -7.968 418 HG23 THR 49 HG23 THR 49 -8.281 6.355 -6.489 419 H GLU 50 H GLU 50 -8.724 1.687 -4.850 420 HA GLU 50 HA GLU 50 -6.685 0.126 -3.746 421 HB2 GLU 50 HB2 GLU 50 -9.115 -0.468 -3.902 422 HB3 GLU 50 HB3 GLU 50 -8.928 -0.753 -5.622 423 HG2 GLU 50 HG2 GLU 50 -7.316 -2.342 -3.617 424 HG3 GLU 50 HG3 GLU 50 -8.989 -2.767 -3.948 425 H ALA 51 H ALA 51 -7.369 0.920 -7.125 426 HA ALA 51 HA ALA 51 -5.473 -0.606 -8.493 427 HB1 ALA 51 HB1 ALA 51 -7.224 0.731 -9.594 428 HB2 ALA 51 HB2 ALA 51 -5.631 1.092 -10.262 429 HB3 ALA 51 HB3 ALA 51 -6.392 2.215 -9.129 430 H ARG 52 H ARG 52 -5.072 2.693 -7.109 431 HA ARG 52 HA ARG 52 -2.316 2.974 -7.808 432 HB2 ARG 52 HB2 ARG 52 -3.637 4.966 -7.506 433 HB3 ARG 52 HB3 ARG 52 -4.073 4.514 -5.861 434 HG2 ARG 52 HG2 ARG 52 -1.872 4.969 -5.042 435 HG3 ARG 52 HG3 ARG 52 -1.203 5.079 -6.673 436 HD2 ARG 52 HD2 ARG 52 -3.299 7.003 -5.620 437 HD3 ARG 52 HD3 ARG 52 -1.566 7.280 -5.435 438 HE ARG 52 HE ARG 52 -1.603 7.008 -8.019 439 HH11 ARG 52 HH11 ARG 52 -4.099 8.576 -6.216 440 HH12 ARG 52 HH12 ARG 52 -4.413 9.719 -7.468 441 HH21 ARG 52 HH21 ARG 52 -2.025 8.484 -9.585 442 HH22 ARG 52 HH22 ARG 52 -3.265 9.664 -9.347 443 H VAL 53 H VAL 53 -3.917 1.735 -4.902 444 HA VAL 53 HA VAL 53 -1.694 1.445 -3.191 445 HB VAL 53 HB VAL 53 -4.203 -0.286 -3.440 446 HG11 VAL 53 HG11 VAL 53 -2.463 -1.611 -2.311 447 HG12 VAL 53 HG12 VAL 53 -3.705 -1.134 -1.155 448 HG13 VAL 53 HG13 VAL 53 -2.155 -0.289 -1.182 449 HG21 VAL 53 HG21 VAL 53 -4.652 2.072 -2.833 450 HG22 VAL 53 HG22 VAL 53 -3.531 1.948 -1.477 451 HG23 VAL 53 HG23 VAL 53 -5.016 0.994 -1.483 452 H GLN 54 H GLN 54 -3.033 -0.811 -5.625 453 HA GLN 54 HA GLN 54 -1.054 -2.819 -5.458 454 HB2 GLN 54 HB2 GLN 54 -3.089 -2.058 -7.558 455 HB3 GLN 54 HB3 GLN 54 -1.895 -3.299 -7.921 456 HG2 GLN 54 HG2 GLN 54 -3.784 -3.408 -5.548 457 HG3 GLN 54 HG3 GLN 54 -4.088 -4.180 -7.106 458 HE21 GLN 54 HE21 GLN 54 -2.828 -5.971 -7.712 459 HE22 GLN 54 HE22 GLN 54 -1.904 -6.867 -6.562 460 H VAL 55 H VAL 55 -1.211 0.075 -7.585 461 HA VAL 55 HA VAL 55 1.097 -0.424 -9.128 462 HB VAL 55 HB VAL 55 -0.044 2.280 -8.279 463 HG11 VAL 55 HG11 VAL 55 2.004 1.695 -10.473 464 HG12 VAL 55 HG12 VAL 55 2.323 2.568 -8.972 465 HG13 VAL 55 HG13 VAL 55 1.241 3.260 -10.182 466 HG21 VAL 55 HG21 VAL 55 -0.424 0.700 -10.855 467 HG22 VAL 55 HG22 VAL 55 -1.085 2.305 -10.526 468 HG23 VAL 55 HG23 VAL 55 -1.632 0.917 -9.585 469 H TRP 56 H TRP 56 0.723 1.239 -5.989 470 HA TRP 56 HA TRP 56 3.394 2.022 -5.614 471 HB2 TRP 56 HB2 TRP 56 1.485 2.853 -4.200 472 HB3 TRP 56 HB3 TRP 56 1.413 1.279 -3.407 473 HD1 TRP 56 HD1 TRP 56 3.666 4.401 -3.681 474 HE1 TRP 56 HE1 TRP 56 5.275 4.445 -1.684 475 HE3 TRP 56 HE3 TRP 56 2.628 -0.189 -1.660 476 HZ2 TRP 56 HZ2 TRP 56 6.033 2.791 0.461 477 HZ3 TRP 56 HZ3 TRP 56 3.854 -0.888 0.357 478 HH2 TRP 56 HH2 TRP 56 5.522 0.569 1.391 479 H PHE 57 H PHE 57 1.685 -0.914 -4.408 480 HA PHE 57 HA PHE 57 3.877 -2.047 -3.053 481 HB2 PHE 57 HB2 PHE 57 1.234 -3.169 -3.997 482 HB3 PHE 57 HB3 PHE 57 2.462 -4.288 -3.414 483 HD1 PHE 57 HD1 PHE 57 3.437 -3.932 -1.080 484 HD2 PHE 57 HD2 PHE 57 -0.109 -1.963 -2.425 485 HE1 PHE 57 HE1 PHE 57 2.795 -3.478 1.245 486 HE2 PHE 57 HE2 PHE 57 -0.730 -1.509 -0.098 487 HZ PHE 57 HZ PHE 57 0.718 -2.260 1.741 488 H GLN 58 H GLN 58 2.762 -2.722 -6.409 489 HA GLN 58 HA GLN 58 4.666 -4.816 -6.844 490 HB2 GLN 58 HB2 GLN 58 3.114 -3.167 -8.879 491 HB3 GLN 58 HB3 GLN 58 4.008 -4.641 -9.237 492 HG2 GLN 58 HG2 GLN 58 1.531 -4.382 -7.501 493 HG3 GLN 58 HG3 GLN 58 1.647 -5.168 -9.077 494 HE21 GLN 58 HE21 GLN 58 2.703 -7.223 -9.197 495 HE22 GLN 58 HE22 GLN 58 2.928 -8.198 -7.792 496 H ASN 59 H ASN 59 4.680 -1.349 -7.594 497 HA ASN 59 HA ASN 59 7.226 -1.214 -8.888 498 HB2 ASN 59 HB2 ASN 59 5.512 0.534 -9.130 499 HB3 ASN 59 HB3 ASN 59 5.582 0.883 -7.411 500 HD21 ASN 59 HD21 ASN 59 5.947 3.054 -7.954 501 HD22 ASN 59 HD22 ASN 59 7.487 3.612 -8.479 502 H ARG 60 H ARG 60 6.196 -1.039 -5.530 503 HA ARG 60 HA ARG 60 8.645 -0.152 -4.342 504 HB2 ARG 60 HB2 ARG 60 6.345 0.083 -3.311 505 HB3 ARG 60 HB3 ARG 60 6.324 -1.652 -3.039 506 HG2 ARG 60 HG2 ARG 60 6.880 -0.572 -0.974 507 HG3 ARG 60 HG3 ARG 60 8.330 -1.390 -1.558 508 HD2 ARG 60 HD2 ARG 60 9.219 0.743 -2.396 509 HD3 ARG 60 HD3 ARG 60 7.744 1.575 -1.879 510 HE ARG 60 HE ARG 60 8.659 0.381 0.400 511 HH11 ARG 60 HH11 ARG 60 10.045 2.662 -1.814 512 HH12 ARG 60 HH12 ARG 60 11.065 3.344 -0.607 513 HH21 ARG 60 HH21 ARG 60 9.973 1.262 1.886 514 HH22 ARG 60 HH22 ARG 60 11.024 2.565 1.461 515 H ARG 61 H ARG 61 7.138 -3.314 -4.858 516 HA ARG 61 HA ARG 61 9.077 -4.956 -3.564 517 HB2 ARG 61 HB2 ARG 61 6.911 -5.534 -5.618 518 HB3 ARG 61 HB3 ARG 61 7.962 -6.806 -5.001 519 HG2 ARG 61 HG2 ARG 61 7.092 -6.603 -2.788 520 HG3 ARG 61 HG3 ARG 61 6.290 -5.075 -3.161 521 HD2 ARG 61 HD2 ARG 61 4.689 -6.948 -3.031 522 HD3 ARG 61 HD3 ARG 61 4.710 -6.210 -4.633 523 HE ARG 61 HE ARG 61 6.473 -8.358 -4.709 524 HH11 ARG 61 HH11 ARG 61 3.083 -7.946 -4.180 525 HH12 ARG 61 HH12 ARG 61 2.678 -9.458 -4.904 526 HH21 ARG 61 HH21 ARG 61 5.934 -10.271 -5.646 527 HH22 ARG 61 HH22 ARG 61 4.279 -10.758 -5.732 528 H ALA 62 H ALA 62 8.642 -3.862 -6.921 529 HA ALA 62 HA ALA 62 10.699 -5.312 -8.185 530 HB1 ALA 62 HB1 ALA 62 8.995 -4.026 -9.423 531 HB2 ALA 62 HB2 ALA 62 10.621 -3.558 -9.925 532 HB3 ALA 62 HB3 ALA 62 9.695 -2.515 -8.838 533 H LYS 63 H LYS 63 10.780 -2.080 -6.668 534 HA LYS 63 HA LYS 63 13.620 -1.697 -6.917 535 HB2 LYS 63 HB2 LYS 63 11.483 -0.258 -5.302 536 HB3 LYS 63 HB3 LYS 63 13.171 0.247 -5.331 537 HG2 LYS 63 HG2 LYS 63 13.019 0.585 -7.787 538 HG3 LYS 63 HG3 LYS 63 11.314 0.124 -7.734 539 HD2 LYS 63 HD2 LYS 63 11.641 2.597 -7.801 540 HD3 LYS 63 HD3 LYS 63 10.780 2.067 -6.354 541 HE2 LYS 63 HE2 LYS 63 12.492 3.820 -5.872 542 HE3 LYS 63 HE3 LYS 63 12.807 2.320 -5.006 543 HZ1 LYS 63 HZ1 LYS 63 14.800 3.299 -5.963 544 HZ2 LYS 63 HZ2 LYS 63 14.152 3.152 -7.515 545 HZ3 LYS 63 HZ3 LYS 63 14.499 1.768 -6.608 546 H TRP 64 H TRP 64 11.600 -3.210 -4.490 547 HA TRP 64 HA TRP 64 13.552 -3.278 -2.369 548 HB2 TRP 64 HB2 TRP 64 11.097 -3.444 -1.955 549 HB3 TRP 64 HB3 TRP 64 11.063 -4.995 -2.782 550 HD1 TRP 64 HD1 TRP 64 12.487 -3.380 0.447 551 HE1 TRP 64 HE1 TRP 64 12.807 -5.232 2.193 552 HE3 TRP 64 HE3 TRP 64 11.311 -7.421 -2.444 553 HZ2 TRP 64 HZ2 TRP 64 12.605 -8.042 2.338 554 HZ3 TRP 64 HZ3 TRP 64 11.394 -9.670 -1.432 555 HH2 TRP 64 HH2 TRP 64 12.031 -9.970 0.915 556 H ARG 65 H ARG 65 12.784 -5.277 -5.132 557 HA ARG 65 HA ARG 65 14.523 -7.493 -4.409 558 HB2 ARG 65 HB2 ARG 65 12.886 -6.838 -6.882 559 HB3 ARG 65 HB3 ARG 65 13.978 -8.217 -6.838 560 HG2 ARG 65 HG2 ARG 65 11.574 -7.789 -5.027 561 HG3 ARG 65 HG3 ARG 65 11.679 -8.911 -6.391 562 HD2 ARG 65 HD2 ARG 65 13.233 -9.044 -3.779 563 HD3 ARG 65 HD3 ARG 65 11.997 -10.172 -4.349 564 HE ARG 65 HE ARG 65 14.661 -9.834 -5.615 565 HH11 ARG 65 HH11 ARG 65 12.047 -11.914 -4.764 566 HH12 ARG 65 HH12 ARG 65 12.848 -13.324 -5.362 567 HH21 ARG 65 HH21 ARG 65 15.652 -11.640 -6.366 568 HH22 ARG 65 HH22 ARG 65 14.861 -13.170 -6.244 569 H LYS 66 H LYS 66 15.405 -4.487 -5.179 570 HA LYS 66 HA LYS 66 17.236 -4.771 -7.342 571 HB2 LYS 66 HB2 LYS 66 16.228 -2.594 -6.336 572 HB3 LYS 66 HB3 LYS 66 17.475 -2.707 -5.106 573 HG2 LYS 66 HG2 LYS 66 18.058 -2.529 -8.086 574 HG3 LYS 66 HG3 LYS 66 17.944 -1.122 -7.031 575 HD2 LYS 66 HD2 LYS 66 19.861 -1.904 -5.720 576 HD3 LYS 66 HD3 LYS 66 19.942 -3.389 -6.665 577 HE2 LYS 66 HE2 LYS 66 20.458 -2.024 -8.693 578 HE3 LYS 66 HE3 LYS 66 20.477 -0.578 -7.677 579 HZ1 LYS 66 HZ1 LYS 66 22.697 -1.395 -8.002 580 HZ2 LYS 66 HZ2 LYS 66 22.273 -2.927 -7.426 581 HZ3 LYS 66 HZ3 LYS 66 22.266 -1.601 -6.379 582 H ARG 67 H ARG 67 18.898 -6.123 -7.291 583 HA ARG 67 HA ARG 67 20.273 -7.003 -4.880 584 HB2 ARG 67 HB2 ARG 67 19.685 -8.549 -6.757 585 HB3 ARG 67 HB3 ARG 67 20.749 -7.647 -7.824 586 HG2 ARG 67 HG2 ARG 67 21.863 -9.677 -7.157 587 HG3 ARG 67 HG3 ARG 67 22.692 -8.318 -6.393 588 HD2 ARG 67 HD2 ARG 67 22.446 -10.195 -4.816 589 HD3 ARG 67 HD3 ARG 67 21.525 -8.794 -4.271 590 HE ARG 67 HE ARG 67 19.504 -9.896 -4.909 591 HH11 ARG 67 HH11 ARG 67 22.268 -11.986 -5.123 592 HH12 ARG 67 HH12 ARG 67 21.313 -13.419 -4.986 593 HH21 ARG 67 HH21 ARG 67 18.320 -11.756 -4.765 594 HH22 ARG 67 HH22 ARG 67 19.120 -13.292 -4.811 595 H GLU 68 H GLU 68 22.553 -6.740 -4.498 596 HA GLU 68 HA GLU 68 24.608 -5.812 -4.406 597 HB2 GLU 68 HB2 GLU 68 23.982 -4.673 -7.152 598 HB3 GLU 68 HB3 GLU 68 25.537 -4.486 -6.350 599 HG2 GLU 68 HG2 GLU 68 25.908 -6.894 -6.406 600 HG3 GLU 68 HG3 GLU 68 24.293 -7.162 -7.065 601 H ARG 69 H ARG 69 24.323 -4.552 -2.643 602 HA ARG 69 HA ARG 69 23.675 -1.676 -2.998 603 HB2 ARG 69 HB2 ARG 69 22.212 -2.895 -1.390 604 HB3 ARG 69 HB3 ARG 69 23.625 -3.393 -0.465 605 HG2 ARG 69 HG2 ARG 69 24.090 -0.969 0.028 606 HG3 ARG 69 HG3 ARG 69 22.591 -0.553 -0.814 607 HD2 ARG 69 HD2 ARG 69 22.179 -0.608 1.579 608 HD3 ARG 69 HD3 ARG 69 21.323 -1.952 0.819 609 HE ARG 69 HE ARG 69 23.897 -2.759 1.758 610 HH11 ARG 69 HH11 ARG 69 20.685 -2.147 2.890 611 HH12 ARG 69 HH12 ARG 69 20.890 -3.132 4.293 612 HH21 ARG 69 HH21 ARG 69 24.126 -3.991 3.559 613 HH22 ARG 69 HH22 ARG 69 22.813 -4.158 4.669 614 H PHE 70 H PHE 70 25.517 -0.482 -3.184 615 HA PHE 70 HA PHE 70 27.850 -0.988 -1.470 616 HB2 PHE 70 HB2 PHE 70 29.395 -0.917 -3.494 617 HB3 PHE 70 HB3 PHE 70 28.415 -2.370 -3.365 618 HD1 PHE 70 HD1 PHE 70 26.398 -2.656 -4.893 619 HD2 PHE 70 HD2 PHE 70 29.215 0.517 -5.455 620 HE1 PHE 70 HE1 PHE 70 25.576 -2.326 -7.184 621 HE2 PHE 70 HE2 PHE 70 28.381 0.840 -7.744 622 HZ PHE 70 HZ PHE 70 26.566 -0.578 -8.612 623 H GLY 71 H GLY 71 28.511 0.886 -0.637 624 HA2 GLY 71 HA2 GLY 71 28.988 3.112 -0.310 625 HA3 GLY 71 HA3 GLY 71 29.068 3.277 -2.052 626 H GLN 72 H GLN 72 27.156 3.762 -3.214 627 HA GLN 72 HA GLN 72 25.256 4.792 -3.769 628 HB2 GLN 72 HB2 GLN 72 24.281 4.036 -0.980 629 HB3 GLN 72 HB3 GLN 72 23.257 4.686 -2.259 630 HG2 GLN 72 HG2 GLN 72 24.750 2.036 -2.334 631 HG3 GLN 72 HG3 GLN 72 23.014 2.252 -2.085 632 HE21 GLN 72 HE21 GLN 72 25.600 2.300 -4.434 633 HE22 GLN 72 HE22 GLN 72 24.593 2.376 -5.833 634 H MET 73 H MET 73 25.066 5.797 -0.334 635 HA MET 73 HA MET 73 24.926 7.829 0.670 636 HB2 MET 73 HB2 MET 73 27.409 7.483 0.171 637 HB3 MET 73 HB3 MET 73 27.230 8.559 -1.206 638 HG2 MET 73 HG2 MET 73 26.612 10.396 0.308 639 HG3 MET 73 HG3 MET 73 26.769 9.312 1.697 640 HE1 MET 73 HE1 MET 73 28.516 10.982 2.885 641 HE2 MET 73 HE2 MET 73 28.316 12.100 1.534 642 HE3 MET 73 HE3 MET 73 29.933 11.636 2.064 643 H GLN 74 H GLN 74 23.067 7.554 -1.405 644 HA GLN 74 HA GLN 74 23.078 9.727 -3.289 645 HB2 GLN 74 HB2 GLN 74 20.902 7.728 -2.578 646 HB3 GLN 74 HB3 GLN 74 20.829 8.846 -3.940 647 HG2 GLN 74 HG2 GLN 74 22.803 7.746 -4.945 648 HG3 GLN 74 HG3 GLN 74 22.881 6.629 -3.579 649 HE21 GLN 74 HE21 GLN 74 21.283 5.007 -3.408 650 HE22 GLN 74 HE22 GLN 74 20.286 4.567 -4.743 651 H GLN 75 H GLN 75 23.214 11.535 -1.920 652 HA GLN 75 HA GLN 75 20.737 12.825 -1.324 653 HB2 GLN 75 HB2 GLN 75 20.985 11.457 0.756 654 HB3 GLN 75 HB3 GLN 75 22.554 12.184 1.051 655 HG2 GLN 75 HG2 GLN 75 20.805 13.156 2.488 656 HG3 GLN 75 HG3 GLN 75 21.526 14.364 1.421 657 HE21 GLN 75 HE21 GLN 75 18.672 12.408 1.998 658 HE22 GLN 75 HE22 GLN 75 17.590 13.362 1.049 Start of MODEL 3 1 H1 SER 1 H1 SER 1 23.849 -4.031 4.779 2 H2 SER 1 H2 SER 1 25.508 -3.745 4.676 3 H3 SER 1 H3 SER 1 24.643 -4.175 3.291 4 HA SER 1 HA SER 1 24.303 -1.686 4.863 5 HB2 SER 1 HB2 SER 1 25.569 -2.068 2.114 6 HB3 SER 1 HB3 SER 1 25.361 -0.527 2.949 7 HG SER 1 HG SER 1 27.368 -1.067 3.490 8 H HIS 2 H HIS 2 22.060 -1.734 4.928 9 HA HIS 2 HA HIS 2 20.732 -0.553 2.695 10 HB2 HIS 2 HB2 HIS 2 18.901 -2.208 2.373 11 HB3 HIS 2 HB3 HIS 2 20.462 -2.831 1.868 12 HD1 HIS 2 HD1 HIS 2 21.021 -5.093 2.692 13 HD2 HIS 2 HD2 HIS 2 18.088 -3.313 5.037 14 HE1 HIS 2 HE1 HIS 2 20.259 -6.877 4.284 15 HE2 HIS 2 HE2 HIS 2 18.375 -5.833 5.570 16 H MET 3 H MET 3 20.676 -1.791 5.967 17 HA MET 3 HA MET 3 18.125 -0.911 6.819 18 HB2 MET 3 HB2 MET 3 19.517 -2.537 8.079 19 HB3 MET 3 HB3 MET 3 20.685 -1.274 8.440 20 HG2 MET 3 HG2 MET 3 17.803 -1.148 9.363 21 HG3 MET 3 HG3 MET 3 19.084 -1.905 10.310 22 HE1 MET 3 HE1 MET 3 18.293 -0.222 12.324 23 HE2 MET 3 HE2 MET 3 17.130 0.581 11.266 24 HE3 MET 3 HE3 MET 3 18.310 1.534 12.164 25 H SER 4 H SER 4 21.334 0.645 7.143 26 HA SER 4 HA SER 4 20.047 3.318 7.193 27 HB2 SER 4 HB2 SER 4 21.404 2.922 9.217 28 HB3 SER 4 HB3 SER 4 22.806 2.513 8.226 29 HG SER 4 HG SER 4 23.189 4.582 8.466 30 H ASN 5 H ASN 5 20.562 4.748 5.566 31 HA ASN 5 HA ASN 5 22.371 3.827 3.407 32 HB2 ASN 5 HB2 ASN 5 21.158 5.448 1.948 33 HB3 ASN 5 HB3 ASN 5 20.093 4.240 2.654 34 HD21 ASN 5 HD21 ASN 5 18.724 4.893 4.425 35 HD22 ASN 5 HD22 ASN 5 18.244 6.543 4.581 36 H LYS 6 H LYS 6 21.563 6.786 5.256 37 HA LYS 6 HA LYS 6 22.722 8.534 6.036 38 HB2 LYS 6 HB2 LYS 6 24.219 6.881 7.025 39 HB3 LYS 6 HB3 LYS 6 25.138 6.760 5.534 40 HG2 LYS 6 HG2 LYS 6 26.375 8.048 7.188 41 HG3 LYS 6 HG3 LYS 6 25.934 9.080 5.826 42 HD2 LYS 6 HD2 LYS 6 24.030 9.991 7.179 43 HD3 LYS 6 HD3 LYS 6 24.548 8.993 8.543 44 HE2 LYS 6 HE2 LYS 6 26.214 11.178 7.237 45 HE3 LYS 6 HE3 LYS 6 25.309 11.345 8.742 46 HZ1 LYS 6 HZ1 LYS 6 27.647 10.893 9.143 47 HZ2 LYS 6 HZ2 LYS 6 27.541 9.442 8.288 48 HZ3 LYS 6 HZ3 LYS 6 26.682 9.636 9.731 49 H GLY 7 H GLY 7 23.428 10.526 5.320 50 HA2 GLY 7 HA2 GLY 7 24.743 12.025 4.060 51 HA3 GLY 7 HA3 GLY 7 25.052 10.763 2.877 52 H LYS 8 H LYS 8 24.447 11.830 1.032 53 HA LYS 8 HA LYS 8 22.147 13.531 0.836 54 HB2 LYS 8 HB2 LYS 8 23.934 12.402 -1.365 55 HB3 LYS 8 HB3 LYS 8 22.709 13.649 -1.598 56 HG2 LYS 8 HG2 LYS 8 23.983 15.089 0.051 57 HG3 LYS 8 HG3 LYS 8 25.255 13.867 0.040 58 HD2 LYS 8 HD2 LYS 8 25.990 15.528 -1.496 59 HD3 LYS 8 HD3 LYS 8 25.379 14.223 -2.509 60 HE2 LYS 8 HE2 LYS 8 23.777 16.715 -1.805 61 HE3 LYS 8 HE3 LYS 8 24.736 16.547 -3.269 62 HZ1 LYS 8 HZ1 LYS 8 23.327 14.680 -3.908 63 HZ2 LYS 8 HZ2 LYS 8 22.431 16.097 -3.691 64 HZ3 LYS 8 HZ3 LYS 8 22.393 14.893 -2.516 65 H LYS 9 H LYS 9 20.241 13.238 -0.251 66 HA LYS 9 HA LYS 9 19.486 10.749 -1.555 67 HB2 LYS 9 HB2 LYS 9 19.087 10.228 0.852 68 HB3 LYS 9 HB3 LYS 9 18.085 11.667 1.014 69 HG2 LYS 9 HG2 LYS 9 16.449 10.697 -0.585 70 HG3 LYS 9 HG3 LYS 9 17.456 9.253 -0.729 71 HD2 LYS 9 HD2 LYS 9 17.119 8.777 1.679 72 HD3 LYS 9 HD3 LYS 9 16.121 10.230 1.831 73 HE2 LYS 9 HE2 LYS 9 14.492 9.264 0.231 74 HE3 LYS 9 HE3 LYS 9 15.494 7.816 0.091 75 HZ1 LYS 9 HZ1 LYS 9 14.214 8.788 2.583 76 HZ2 LYS 9 HZ2 LYS 9 15.135 7.381 2.418 77 HZ3 LYS 9 HZ3 LYS 9 13.656 7.519 1.618 78 H ARG 10 H ARG 10 17.806 11.095 -3.024 79 HA ARG 10 HA ARG 10 17.106 13.750 -3.744 80 HB2 ARG 10 HB2 ARG 10 16.111 11.041 -4.682 81 HB3 ARG 10 HB3 ARG 10 15.382 12.531 -5.282 82 HG2 ARG 10 HG2 ARG 10 17.569 13.291 -6.114 83 HG3 ARG 10 HG3 ARG 10 18.330 11.823 -5.498 84 HD2 ARG 10 HD2 ARG 10 17.208 10.452 -7.104 85 HD3 ARG 10 HD3 ARG 10 16.101 11.756 -7.559 86 HE ARG 10 HE ARG 10 18.332 12.906 -8.280 87 HH11 ARG 10 HH11 ARG 10 17.736 9.518 -8.668 88 HH12 ARG 10 HH12 ARG 10 18.581 9.445 -10.171 89 HH21 ARG 10 HH21 ARG 10 19.412 12.771 -10.158 90 HH22 ARG 10 HH22 ARG 10 19.528 11.268 -11.004 91 H ARG 11 H ARG 11 16.124 14.909 -2.242 92 HA ARG 11 HA ARG 11 13.970 14.060 -0.542 93 HB2 ARG 11 HB2 ARG 11 15.700 15.765 0.093 94 HB3 ARG 11 HB3 ARG 11 15.029 16.868 -1.105 95 HG2 ARG 11 HG2 ARG 11 12.851 16.825 0.176 96 HG3 ARG 11 HG3 ARG 11 13.656 15.854 1.414 97 HD2 ARG 11 HD2 ARG 11 15.293 17.714 1.748 98 HD3 ARG 11 HD3 ARG 11 14.401 18.678 0.561 99 HE ARG 11 HE ARG 11 13.170 17.705 3.074 100 HH11 ARG 11 HH11 ARG 11 13.723 20.310 0.854 101 HH12 ARG 11 HH12 ARG 11 12.814 21.431 1.797 102 HH21 ARG 11 HH21 ARG 11 12.020 19.163 4.241 103 HH22 ARG 11 HH22 ARG 11 11.872 20.792 3.688 104 H ASN 12 H ASN 12 14.142 15.489 -3.708 105 HA ASN 12 HA ASN 12 11.694 16.883 -3.841 106 HB2 ASN 12 HB2 ASN 12 13.515 17.194 -5.492 107 HB3 ASN 12 HB3 ASN 12 13.262 15.560 -6.097 108 HD21 ASN 12 HD21 ASN 12 12.816 16.319 -8.190 109 HD22 ASN 12 HD22 ASN 12 11.343 17.119 -8.586 110 H ARG 13 H ARG 13 9.664 16.223 -4.021 111 HA ARG 13 HA ARG 13 8.966 13.374 -4.238 112 HB2 ARG 13 HB2 ARG 13 6.736 14.116 -3.427 113 HB3 ARG 13 HB3 ARG 13 8.032 14.643 -2.353 114 HG2 ARG 13 HG2 ARG 13 7.943 16.907 -3.349 115 HG3 ARG 13 HG3 ARG 13 6.633 16.390 -4.416 116 HD2 ARG 13 HD2 ARG 13 6.494 16.397 -1.377 117 HD3 ARG 13 HD3 ARG 13 5.859 17.673 -2.420 118 HE ARG 13 HE ARG 13 4.837 14.973 -2.891 119 HH11 ARG 13 HH11 ARG 13 4.268 18.055 -1.442 120 HH12 ARG 13 HH12 ARG 13 2.571 17.778 -1.280 121 HH21 ARG 13 HH21 ARG 13 2.642 14.660 -2.674 122 HH22 ARG 13 HH22 ARG 13 1.672 15.899 -1.964 123 H THR 14 H THR 14 7.167 12.692 -5.616 124 HA THR 14 HA THR 14 6.429 14.507 -7.846 125 HB THR 14 HB THR 14 6.338 12.524 -9.401 126 HG1 THR 14 HG1 THR 14 7.314 10.597 -8.799 127 HG21 THR 14 HG21 THR 14 8.763 12.349 -9.832 128 HG22 THR 14 HG22 THR 14 9.100 13.050 -8.248 129 HG23 THR 14 HG23 THR 14 8.303 14.021 -9.488 130 H THR 15 H THR 15 5.488 11.214 -6.753 131 HA THR 15 HA THR 15 2.625 12.028 -6.763 132 HB THR 15 HB THR 15 3.741 9.194 -7.101 133 HG1 THR 15 HG1 THR 15 4.226 10.721 -8.870 134 HG21 THR 15 HG21 THR 15 1.488 8.620 -7.944 135 HG22 THR 15 HG22 THR 15 0.938 10.273 -7.650 136 HG23 THR 15 HG23 THR 15 1.397 9.240 -6.294 137 H PHE 16 H PHE 16 1.267 11.011 -5.099 138 HA PHE 16 HA PHE 16 0.639 10.556 -2.984 139 HB2 PHE 16 HB2 PHE 16 3.373 9.271 -2.543 140 HB3 PHE 16 HB3 PHE 16 1.924 9.015 -1.580 141 HD1 PHE 16 HD1 PHE 16 -0.202 8.132 -3.018 142 HD2 PHE 16 HD2 PHE 16 3.906 7.622 -4.115 143 HE1 PHE 16 HE1 PHE 16 -0.809 6.225 -4.455 144 HE2 PHE 16 HE2 PHE 16 3.286 5.717 -5.543 145 HZ PHE 16 HZ PHE 16 0.930 5.017 -5.714 146 H THR 17 H THR 17 1.539 10.792 -0.505 147 HA THR 17 HA THR 17 3.280 13.172 -0.263 148 HB THR 17 HB THR 17 0.946 14.066 -0.344 149 HG1 THR 17 HG1 THR 17 1.165 15.329 1.531 150 HG21 THR 17 HG21 THR 17 -0.617 13.638 1.507 151 HG22 THR 17 HG22 THR 17 0.510 12.475 2.208 152 HG23 THR 17 HG23 THR 17 -0.252 12.135 0.651 153 H SER 18 H SER 18 3.581 13.680 2.217 154 HA SER 18 HA SER 18 5.100 11.661 3.363 155 HB2 SER 18 HB2 SER 18 5.371 14.014 3.991 156 HB3 SER 18 HB3 SER 18 3.792 14.021 4.777 157 HG SER 18 HG SER 18 5.424 13.730 6.307 158 H TYR 19 H TYR 19 1.767 12.599 4.262 159 HA TYR 19 HA TYR 19 1.346 10.746 6.346 160 HB2 TYR 19 HB2 TYR 19 -0.162 12.628 6.082 161 HB3 TYR 19 HB3 TYR 19 -0.651 12.087 4.481 162 HD1 TYR 19 HD2 TYR 19 -0.827 11.194 8.122 163 HD2 TYR 19 HD1 TYR 19 -2.486 10.556 4.226 164 HE1 TYR 19 HE2 TYR 19 -2.683 9.925 9.114 165 HE2 TYR 19 HE1 TYR 19 -4.326 9.282 5.221 166 HH TYR 19 HH TYR 19 -4.844 8.039 7.240 167 H GLN 20 H GLN 20 0.387 10.495 2.892 168 HA GLN 20 HA GLN 20 -0.833 7.971 2.977 169 HB2 GLN 20 HB2 GLN 20 0.551 9.410 0.679 170 HB3 GLN 20 HB3 GLN 20 -0.316 7.889 0.468 171 HG2 GLN 20 HG2 GLN 20 -2.399 8.944 1.219 172 HG3 GLN 20 HG3 GLN 20 -1.549 10.463 1.497 173 HE21 GLN 20 HE21 GLN 20 -3.810 9.867 -0.308 174 HE22 GLN 20 HE22 GLN 20 -3.287 10.342 -1.881 175 H LEU 21 H LEU 21 2.548 8.776 2.109 176 HA LEU 21 HA LEU 21 3.500 6.168 1.694 177 HB2 LEU 21 HB2 LEU 21 5.019 8.624 2.661 178 HB3 LEU 21 HB3 LEU 21 5.784 7.132 2.124 179 HG LEU 21 HG LEU 21 4.121 9.016 0.399 180 HD11 LEU 21 HD11 LEU 21 7.093 8.413 0.339 181 HD12 LEU 21 HD12 LEU 21 6.335 9.903 0.916 182 HD13 LEU 21 HD13 LEU 21 6.218 9.463 -0.785 183 HD21 LEU 21 HD21 LEU 21 3.754 6.709 -0.324 184 HD22 LEU 21 HD22 LEU 21 5.495 6.427 -0.406 185 HD23 LEU 21 HD23 LEU 21 4.729 7.579 -1.506 186 H GLU 22 H GLU 22 3.361 8.113 4.690 187 HA GLU 22 HA GLU 22 4.789 6.453 6.425 188 HB2 GLU 22 HB2 GLU 22 3.567 8.889 6.637 189 HB3 GLU 22 HB3 GLU 22 2.406 7.931 7.537 190 HG2 GLU 22 HG2 GLU 22 5.364 7.957 8.166 191 HG3 GLU 22 HG3 GLU 22 4.246 9.133 8.846 192 H GLU 23 H GLU 23 1.408 6.284 5.423 193 HA GLU 23 HA GLU 23 0.675 4.084 7.173 194 HB2 GLU 23 HB2 GLU 23 -0.781 5.299 4.792 195 HB3 GLU 23 HB3 GLU 23 -1.475 4.137 5.918 196 HG2 GLU 23 HG2 GLU 23 -0.569 6.959 6.583 197 HG3 GLU 23 HG3 GLU 23 -2.238 6.417 6.405 198 H LEU 24 H LEU 24 1.556 4.444 3.750 199 HA LEU 24 HA LEU 24 0.926 1.830 2.825 200 HB2 LEU 24 HB2 LEU 24 2.903 3.904 1.796 201 HB3 LEU 24 HB3 LEU 24 2.540 2.419 0.931 202 HG LEU 24 HG LEU 24 0.405 4.487 1.599 203 HD11 LEU 24 HD11 LEU 24 0.586 5.328 -0.683 204 HD12 LEU 24 HD12 LEU 24 1.961 4.263 -0.994 205 HD13 LEU 24 HD13 LEU 24 2.096 5.562 0.195 206 HD21 LEU 24 HD21 LEU 24 -0.898 3.367 -0.156 207 HD22 LEU 24 HD22 LEU 24 -0.458 2.244 1.125 208 HD23 LEU 24 HD23 LEU 24 0.412 2.208 -0.410 209 H GLU 25 H GLU 25 3.947 3.253 4.030 210 HA GLU 25 HA GLU 25 5.793 1.197 3.777 211 HB2 GLU 25 HB2 GLU 25 5.491 3.374 5.876 212 HB3 GLU 25 HB3 GLU 25 6.866 2.283 5.861 213 HG2 GLU 25 HG2 GLU 25 6.159 4.009 3.486 214 HG3 GLU 25 HG3 GLU 25 7.169 4.593 4.808 215 H LYS 26 H LYS 26 3.564 1.841 6.513 216 HA LYS 26 HA LYS 26 4.222 -0.124 8.352 217 HB2 LYS 26 HB2 LYS 26 1.426 0.834 7.611 218 HB3 LYS 26 HB3 LYS 26 1.788 -0.117 9.050 219 HG2 LYS 26 HG2 LYS 26 3.208 1.721 9.895 220 HG3 LYS 26 HG3 LYS 26 2.821 2.674 8.453 221 HD2 LYS 26 HD2 LYS 26 0.448 2.713 9.062 222 HD3 LYS 26 HD3 LYS 26 0.742 1.642 10.436 223 HE2 LYS 26 HE2 LYS 26 0.474 3.954 11.184 224 HE3 LYS 26 HE3 LYS 26 2.124 3.412 11.494 225 HZ1 LYS 26 HZ1 LYS 26 2.827 4.577 9.492 226 HZ2 LYS 26 HZ2 LYS 26 2.075 5.627 10.582 227 HZ3 LYS 26 HZ3 LYS 26 1.238 5.089 9.217 228 H VAL 27 H VAL 27 1.853 -0.433 5.717 229 HA VAL 27 HA VAL 27 1.123 -3.123 6.290 230 HB VAL 27 HB VAL 27 0.618 -1.502 3.751 231 HG11 VAL 27 HG11 VAL 27 -1.319 -3.029 3.400 232 HG12 VAL 27 HG12 VAL 27 -0.817 -3.983 4.797 233 HG13 VAL 27 HG13 VAL 27 0.214 -3.908 3.365 234 HG21 VAL 27 HG21 VAL 27 -0.227 -0.334 5.756 235 HG22 VAL 27 HG22 VAL 27 -1.100 -1.786 6.254 236 HG23 VAL 27 HG23 VAL 27 -1.571 -0.937 4.779 237 H PHE 28 H PHE 28 3.544 -1.709 4.090 238 HA PHE 28 HA PHE 28 4.174 -4.090 2.626 239 HB2 PHE 28 HB2 PHE 28 4.789 -1.731 1.944 240 HB3 PHE 28 HB3 PHE 28 6.021 -1.727 3.194 241 HD1 PHE 28 HD1 PHE 28 5.012 -3.338 -0.020 242 HD2 PHE 28 HD2 PHE 28 8.200 -2.720 2.754 243 HE1 PHE 28 HE1 PHE 28 6.610 -4.247 -1.654 244 HE2 PHE 28 HE2 PHE 28 9.797 -3.630 1.113 245 HZ PHE 28 HZ PHE 28 9.005 -4.388 -1.092 246 H GLN 29 H GLN 29 5.349 -2.731 5.674 247 HA GLN 29 HA GLN 29 7.450 -4.676 6.096 248 HB2 GLN 29 HB2 GLN 29 6.166 -2.753 8.078 249 HB3 GLN 29 HB3 GLN 29 7.661 -3.646 8.335 250 HG2 GLN 29 HG2 GLN 29 7.193 -1.393 6.354 251 HG3 GLN 29 HG3 GLN 29 8.189 -1.352 7.807 252 HE21 GLN 29 HE21 GLN 29 7.997 -2.354 4.507 253 HE22 GLN 29 HE22 GLN 29 9.644 -2.835 4.333 254 H LYS 30 H LYS 30 4.040 -4.460 6.913 255 HA LYS 30 HA LYS 30 4.005 -6.693 8.765 256 HB2 LYS 30 HB2 LYS 30 1.742 -5.296 7.264 257 HB3 LYS 30 HB3 LYS 30 1.505 -6.527 8.508 258 HG2 LYS 30 HG2 LYS 30 2.607 -5.045 10.164 259 HG3 LYS 30 HG3 LYS 30 2.802 -3.813 8.913 260 HD2 LYS 30 HD2 LYS 30 0.333 -3.680 8.672 261 HD3 LYS 30 HD3 LYS 30 0.148 -4.904 9.934 262 HE2 LYS 30 HE2 LYS 30 1.281 -3.359 11.540 263 HE3 LYS 30 HE3 LYS 30 1.357 -2.133 10.269 264 HZ1 LYS 30 HZ1 LYS 30 -1.093 -3.305 11.456 265 HZ2 LYS 30 HZ2 LYS 30 -1.077 -2.214 10.165 266 HZ3 LYS 30 HZ3 LYS 30 -0.508 -1.736 11.680 267 H THR 31 H THR 31 3.214 -6.197 5.344 268 HA THR 31 HA THR 31 3.737 -8.943 4.636 269 HB THR 31 HB THR 31 1.421 -9.286 5.241 270 HG1 THR 31 HG1 THR 31 0.572 -9.849 3.120 271 HG21 THR 31 HG21 THR 31 -0.471 -8.042 4.246 272 HG22 THR 31 HG22 THR 31 0.659 -6.979 3.406 273 HG23 THR 31 HG23 THR 31 0.573 -6.953 5.169 274 H HIS 32 H HIS 32 4.735 -8.925 2.713 275 HA HIS 32 HA HIS 32 5.007 -6.564 1.125 276 HB2 HIS 32 HB2 HIS 32 5.868 -9.435 0.567 277 HB3 HIS 32 HB3 HIS 32 6.350 -8.042 -0.404 278 HD1 HIS 32 HD1 HIS 32 7.377 -9.982 2.499 279 HD2 HIS 32 HD2 HIS 32 7.885 -6.074 1.183 280 HE1 HIS 32 HE1 HIS 32 9.273 -9.058 3.854 281 HE2 HIS 32 HE2 HIS 32 9.419 -6.649 3.181 282 H TYR 33 H TYR 33 2.572 -8.935 1.183 283 HA TYR 33 HA TYR 33 1.439 -7.969 -1.361 284 HB2 TYR 33 HB2 TYR 33 0.661 -10.274 -1.930 285 HB3 TYR 33 HB3 TYR 33 2.411 -10.121 -1.945 286 HD1 TYR 33 HD2 TYR 33 3.671 -10.919 0.245 287 HD2 TYR 33 HD1 TYR 33 -0.331 -12.083 -0.736 288 HE1 TYR 33 HE2 TYR 33 3.857 -12.842 1.767 289 HE2 TYR 33 HE1 TYR 33 -0.145 -14.003 0.788 290 HH TYR 33 HH TYR 33 2.229 -14.282 3.118 291 HA PRO 34 HA PRO 34 -1.982 -7.619 1.754 292 HB2 PRO 34 HB2 PRO 34 -2.711 -5.191 0.198 293 HB3 PRO 34 HB3 PRO 34 -2.357 -5.354 1.922 294 HG2 PRO 34 HG2 PRO 34 -0.664 -4.099 0.219 295 HG3 PRO 34 HG3 PRO 34 -0.080 -5.009 1.629 296 HD2 PRO 34 HD2 PRO 34 -0.192 -5.878 -1.271 297 HD3 PRO 34 HD3 PRO 34 1.125 -6.064 -0.086 298 H ASP 35 H ASP 35 -3.773 -8.800 1.336 299 HA ASP 35 HA ASP 35 -4.856 -9.354 -1.271 300 HB2 ASP 35 HB2 ASP 35 -6.746 -10.412 0.062 301 HB3 ASP 35 HB3 ASP 35 -5.136 -11.008 0.459 302 H VAL 36 H VAL 36 -7.321 -8.944 -1.662 303 HA VAL 36 HA VAL 36 -7.663 -6.254 -2.252 304 HB VAL 36 HB VAL 36 -8.847 -8.132 -3.380 305 HG11 VAL 36 HG11 VAL 36 -9.560 -9.447 -1.420 306 HG12 VAL 36 HG12 VAL 36 -10.938 -9.077 -2.457 307 HG13 VAL 36 HG13 VAL 36 -10.696 -8.174 -0.957 308 HG21 VAL 36 HG21 VAL 36 -10.711 -5.933 -2.408 309 HG22 VAL 36 HG22 VAL 36 -10.981 -6.955 -3.822 310 HG23 VAL 36 HG23 VAL 36 -9.618 -5.834 -3.794 311 H TYR 37 H TYR 37 -8.674 -7.963 0.660 312 HA TYR 37 HA TYR 37 -10.372 -5.851 1.715 313 HB2 TYR 37 HB2 TYR 37 -10.776 -8.293 2.137 314 HB3 TYR 37 HB3 TYR 37 -9.297 -8.358 3.083 315 HD1 TYR 37 HD2 TYR 37 -12.725 -6.956 2.940 316 HD2 TYR 37 HD1 TYR 37 -9.291 -7.615 5.400 317 HE1 TYR 37 HE2 TYR 37 -14.031 -6.354 4.938 318 HE2 TYR 37 HE1 TYR 37 -10.595 -7.022 7.389 319 HH TYR 37 HH TYR 37 -12.590 -5.703 7.940 320 H ALA 38 H ALA 38 -7.078 -7.068 2.299 321 HA ALA 38 HA ALA 38 -6.361 -5.339 4.439 322 HB1 ALA 38 HB1 ALA 38 -4.564 -6.639 2.370 323 HB2 ALA 38 HB2 ALA 38 -5.090 -7.374 3.886 324 HB3 ALA 38 HB3 ALA 38 -4.041 -5.954 3.911 325 H ARG 39 H ARG 39 -6.317 -4.933 0.929 326 HA ARG 39 HA ARG 39 -4.929 -2.424 0.825 327 HB2 ARG 39 HB2 ARG 39 -6.935 -3.552 -1.175 328 HB3 ARG 39 HB3 ARG 39 -5.793 -2.242 -1.476 329 HG2 ARG 39 HG2 ARG 39 -3.913 -3.803 -1.270 330 HG3 ARG 39 HG3 ARG 39 -5.028 -5.115 -0.879 331 HD2 ARG 39 HD2 ARG 39 -6.146 -4.579 -3.163 332 HD3 ARG 39 HD3 ARG 39 -4.666 -3.683 -3.522 333 HE ARG 39 HE ARG 39 -3.617 -6.019 -2.862 334 HH11 ARG 39 HH11 ARG 39 -6.424 -5.440 -4.777 335 HH12 ARG 39 HH12 ARG 39 -6.223 -6.884 -5.703 336 HH21 ARG 39 HH21 ARG 39 -3.392 -7.894 -4.037 337 HH22 ARG 39 HH22 ARG 39 -4.527 -8.263 -5.287 338 H GLU 40 H GLU 40 -8.357 -3.380 1.135 339 HA GLU 40 HA GLU 40 -9.597 -0.852 0.925 340 HB2 GLU 40 HB2 GLU 40 -10.368 -3.418 2.359 341 HB3 GLU 40 HB3 GLU 40 -11.384 -1.985 2.488 342 HG2 GLU 40 HG2 GLU 40 -10.620 -3.296 -0.135 343 HG3 GLU 40 HG3 GLU 40 -12.112 -3.613 0.749 344 H GLN 41 H GLN 41 -8.375 -2.529 3.843 345 HA GLN 41 HA GLN 41 -9.017 -0.609 5.808 346 HB2 GLN 41 HB2 GLN 41 -6.633 -2.508 5.679 347 HB3 GLN 41 HB3 GLN 41 -7.177 -1.678 7.139 348 HG2 GLN 41 HG2 GLN 41 -9.257 -2.926 7.132 349 HG3 GLN 41 HG3 GLN 41 -8.867 -3.646 5.569 350 HE21 GLN 41 HE21 GLN 41 -8.101 -3.655 8.990 351 HE22 GLN 41 HE22 GLN 41 -7.252 -5.158 8.985 352 H LEU 42 H LEU 42 -6.120 -0.988 3.818 353 HA LEU 42 HA LEU 42 -4.659 1.266 4.775 354 HB2 LEU 42 HB2 LEU 42 -3.583 -0.666 3.757 355 HB3 LEU 42 HB3 LEU 42 -4.449 -0.406 2.254 356 HG LEU 42 HG LEU 42 -3.149 1.641 1.813 357 HD11 LEU 42 HD11 LEU 42 -2.788 2.441 4.092 358 HD12 LEU 42 HD12 LEU 42 -1.258 2.308 3.230 359 HD13 LEU 42 HD13 LEU 42 -1.705 1.086 4.423 360 HD21 LEU 42 HD21 LEU 42 -2.287 -0.495 0.994 361 HD22 LEU 42 HD22 LEU 42 -1.402 -0.742 2.501 362 HD23 LEU 42 HD23 LEU 42 -0.961 0.583 1.425 363 H ALA 43 H ALA 43 -6.973 0.835 2.145 364 HA ALA 43 HA ALA 43 -6.579 3.354 0.833 365 HB1 ALA 43 HB1 ALA 43 -8.677 2.819 -0.346 366 HB2 ALA 43 HB2 ALA 43 -8.981 1.488 0.777 367 HB3 ALA 43 HB3 ALA 43 -7.592 1.428 -0.310 368 H MET 44 H MET 44 -8.690 2.244 3.463 369 HA MET 44 HA MET 44 -10.083 4.764 3.778 370 HB2 MET 44 HB2 MET 44 -9.889 2.353 5.631 371 HB3 MET 44 HB3 MET 44 -10.922 3.754 5.928 372 HG2 MET 44 HG2 MET 44 -11.122 1.822 3.603 373 HG3 MET 44 HG3 MET 44 -12.252 1.983 4.950 374 HE1 MET 44 HE1 MET 44 -14.140 2.099 2.866 375 HE2 MET 44 HE2 MET 44 -12.854 2.140 1.656 376 HE3 MET 44 HE3 MET 44 -14.107 3.379 1.653 377 H ARG 45 H ARG 45 -6.942 3.747 4.609 378 HA ARG 45 HA ARG 45 -6.524 5.872 6.581 379 HB2 ARG 45 HB2 ARG 45 -4.591 3.914 5.257 380 HB3 ARG 45 HB3 ARG 45 -4.102 5.133 6.430 381 HG2 ARG 45 HG2 ARG 45 -6.039 2.855 6.977 382 HG3 ARG 45 HG3 ARG 45 -4.334 2.893 7.438 383 HD2 ARG 45 HD2 ARG 45 -4.814 4.948 8.805 384 HD3 ARG 45 HD3 ARG 45 -6.529 4.736 8.443 385 HE ARG 45 HE ARG 45 -6.515 2.712 9.715 386 HH11 ARG 45 HH11 ARG 45 -3.537 4.471 10.024 387 HH12 ARG 45 HH12 ARG 45 -3.170 3.756 11.554 388 HH21 ARG 45 HH21 ARG 45 -5.992 1.807 11.658 389 HH22 ARG 45 HH22 ARG 45 -4.528 2.261 12.452 390 H THR 46 H THR 46 -5.703 5.175 3.152 391 HA THR 46 HA THR 46 -4.116 7.686 2.983 392 HB THR 46 HB THR 46 -3.001 6.628 1.026 393 HG1 THR 46 HG1 THR 46 -3.993 4.096 1.544 394 HG21 THR 46 HG21 THR 46 -1.739 4.901 2.234 395 HG22 THR 46 HG22 THR 46 -2.993 4.825 3.474 396 HG23 THR 46 HG23 THR 46 -2.029 6.292 3.282 397 H ASP 47 H ASP 47 -7.160 6.653 2.003 398 HA ASP 47 HA ASP 47 -8.727 7.292 0.487 399 HB2 ASP 47 HB2 ASP 47 -6.850 9.650 0.036 400 HB3 ASP 47 HB3 ASP 47 -8.459 9.543 -0.671 401 H LEU 48 H LEU 48 -6.195 5.690 -0.450 402 HA LEU 48 HA LEU 48 -6.006 6.405 -3.280 403 HB2 LEU 48 HB2 LEU 48 -4.570 4.258 -1.674 404 HB3 LEU 48 HB3 LEU 48 -4.267 4.606 -3.373 405 HG LEU 48 HG LEU 48 -3.773 6.543 -1.068 406 HD11 LEU 48 HD11 LEU 48 -1.385 6.193 -1.531 407 HD12 LEU 48 HD12 LEU 48 -1.786 4.972 -2.743 408 HD13 LEU 48 HD13 LEU 48 -2.177 4.696 -1.043 409 HD21 LEU 48 HD21 LEU 48 -4.376 7.747 -3.119 410 HD22 LEU 48 HD22 LEU 48 -3.143 6.867 -4.024 411 HD23 LEU 48 HD23 LEU 48 -2.669 7.983 -2.738 412 H THR 49 H THR 49 -6.616 5.168 -4.975 413 HA THR 49 HA THR 49 -8.734 3.231 -4.791 414 HB THR 49 HB THR 49 -7.005 4.106 -7.167 415 HG1 THR 49 HG1 THR 49 -9.640 4.967 -6.466 416 HG21 THR 49 HG21 THR 49 -8.145 1.969 -7.686 417 HG22 THR 49 HG22 THR 49 -8.841 3.292 -8.625 418 HG23 THR 49 HG23 THR 49 -9.695 2.666 -7.212 419 H GLU 50 H GLU 50 -8.635 0.942 -5.357 420 HA GLU 50 HA GLU 50 -6.686 -0.797 -4.665 421 HB2 GLU 50 HB2 GLU 50 -8.626 -0.900 -6.984 422 HB3 GLU 50 HB3 GLU 50 -7.516 -2.235 -6.716 423 HG2 GLU 50 HG2 GLU 50 -9.414 -1.262 -4.582 424 HG3 GLU 50 HG3 GLU 50 -9.880 -2.454 -5.789 425 H ALA 51 H ALA 51 -6.866 0.715 -7.903 426 HA ALA 51 HA ALA 51 -4.601 -0.309 -9.131 427 HB1 ALA 51 HB1 ALA 51 -5.712 2.505 -9.401 428 HB2 ALA 51 HB2 ALA 51 -6.278 1.085 -10.276 429 HB3 ALA 51 HB3 ALA 51 -4.649 1.696 -10.561 430 H ARG 52 H ARG 52 -4.746 2.806 -7.311 431 HA ARG 52 HA ARG 52 -1.981 3.415 -7.540 432 HB2 ARG 52 HB2 ARG 52 -4.107 4.473 -5.647 433 HB3 ARG 52 HB3 ARG 52 -2.455 5.095 -5.664 434 HG2 ARG 52 HG2 ARG 52 -2.744 5.743 -8.050 435 HG3 ARG 52 HG3 ARG 52 -4.416 5.176 -7.983 436 HD2 ARG 52 HD2 ARG 52 -4.976 6.859 -6.323 437 HD3 ARG 52 HD3 ARG 52 -3.286 7.360 -6.197 438 HE ARG 52 HE ARG 52 -3.796 7.787 -8.798 439 HH11 ARG 52 HH11 ARG 52 -5.594 8.752 -6.006 440 HH12 ARG 52 HH12 ARG 52 -6.185 10.186 -6.765 441 HH21 ARG 52 HH21 ARG 52 -4.543 9.621 -9.730 442 HH22 ARG 52 HH22 ARG 52 -5.594 10.673 -8.847 443 H VAL 53 H VAL 53 -3.758 1.691 -5.016 444 HA VAL 53 HA VAL 53 -1.699 1.457 -3.080 445 HB VAL 53 HB VAL 53 -3.995 -0.489 -3.669 446 HG11 VAL 53 HG11 VAL 53 -3.683 -1.281 -1.320 447 HG12 VAL 53 HG12 VAL 53 -2.252 -0.258 -1.175 448 HG13 VAL 53 HG13 VAL 53 -2.257 -1.604 -2.317 449 HG21 VAL 53 HG21 VAL 53 -4.811 1.784 -3.117 450 HG22 VAL 53 HG22 VAL 53 -3.841 1.786 -1.642 451 HG23 VAL 53 HG23 VAL 53 -5.184 0.653 -1.812 452 H GLN 54 H GLN 54 -2.747 -0.853 -5.623 453 HA GLN 54 HA GLN 54 -0.691 -2.745 -5.322 454 HB2 GLN 54 HB2 GLN 54 -2.320 -2.076 -7.812 455 HB3 GLN 54 HB3 GLN 54 -1.278 -3.490 -7.657 456 HG2 GLN 54 HG2 GLN 54 -2.665 -4.327 -5.799 457 HG3 GLN 54 HG3 GLN 54 -3.702 -2.908 -5.920 458 HE21 GLN 54 HE21 GLN 54 -2.409 -4.723 -8.671 459 HE22 GLN 54 HE22 GLN 54 -3.928 -5.321 -9.214 460 H VAL 55 H VAL 55 -0.791 0.176 -7.404 461 HA VAL 55 HA VAL 55 1.543 -0.218 -8.917 462 HB VAL 55 HB VAL 55 0.210 2.386 -8.041 463 HG11 VAL 55 HG11 VAL 55 2.470 2.056 -10.067 464 HG12 VAL 55 HG12 VAL 55 2.570 2.918 -8.530 465 HG13 VAL 55 HG13 VAL 55 1.539 3.535 -9.821 466 HG21 VAL 55 HG21 VAL 55 0.188 0.944 -10.721 467 HG22 VAL 55 HG22 VAL 55 -0.658 2.449 -10.349 468 HG23 VAL 55 HG23 VAL 55 -1.134 0.949 -9.554 469 H TRP 56 H TRP 56 1.148 1.519 -5.784 470 HA TRP 56 HA TRP 56 3.807 2.304 -5.365 471 HB2 TRP 56 HB2 TRP 56 1.864 3.073 -3.965 472 HB3 TRP 56 HB3 TRP 56 1.817 1.492 -3.193 473 HD1 TRP 56 HD1 TRP 56 3.884 4.724 -3.286 474 HE1 TRP 56 HE1 TRP 56 5.430 4.795 -1.235 475 HE3 TRP 56 HE3 TRP 56 3.166 -0.025 -1.520 476 HZ2 TRP 56 HZ2 TRP 56 6.253 3.103 0.855 477 HZ3 TRP 56 HZ3 TRP 56 4.386 -0.728 0.494 478 HH2 TRP 56 HH2 TRP 56 5.904 0.800 1.653 479 H PHE 57 H PHE 57 2.148 -0.613 -4.119 480 HA PHE 57 HA PHE 57 4.378 -1.841 -2.927 481 HB2 PHE 57 HB2 PHE 57 1.719 -2.944 -3.904 482 HB3 PHE 57 HB3 PHE 57 2.940 -4.011 -3.214 483 HD1 PHE 57 HD2 PHE 57 0.587 -1.264 -2.473 484 HD2 PHE 57 HD1 PHE 57 3.467 -3.945 -0.838 485 HE1 PHE 57 HE2 PHE 57 -0.145 -0.667 -0.216 486 HE2 PHE 57 HE1 PHE 57 2.722 -3.348 1.426 487 HZ PHE 57 HZ PHE 57 0.926 -1.704 1.740 488 H GLN 58 H GLN 58 3.184 -2.087 -6.280 489 HA GLN 58 HA GLN 58 4.740 -4.334 -7.048 490 HB2 GLN 58 HB2 GLN 58 3.208 -2.233 -8.600 491 HB3 GLN 58 HB3 GLN 58 4.236 -3.377 -9.455 492 HG2 GLN 58 HG2 GLN 58 1.983 -4.177 -7.598 493 HG3 GLN 58 HG3 GLN 58 1.840 -4.055 -9.350 494 HE21 GLN 58 HE21 GLN 58 2.925 -5.574 -10.653 495 HE22 GLN 58 HE22 GLN 58 3.488 -7.079 -10.027 496 H ASN 59 H ASN 59 5.357 -0.789 -7.508 497 HA ASN 59 HA ASN 59 7.844 -1.262 -8.859 498 HB2 ASN 59 HB2 ASN 59 8.257 1.083 -8.815 499 HB3 ASN 59 HB3 ASN 59 6.526 0.910 -9.037 500 HD21 ASN 59 HD21 ASN 59 5.147 1.664 -7.422 501 HD22 ASN 59 HD22 ASN 59 5.700 2.618 -6.100 502 H ARG 60 H ARG 60 6.945 -0.769 -5.456 503 HA ARG 60 HA ARG 60 9.531 -0.702 -4.321 504 HB2 ARG 60 HB2 ARG 60 6.786 -1.322 -3.276 505 HB3 ARG 60 HB3 ARG 60 8.122 -1.941 -2.320 506 HG2 ARG 60 HG2 ARG 60 7.362 0.234 -1.479 507 HG3 ARG 60 HG3 ARG 60 9.032 0.308 -2.039 508 HD2 ARG 60 HD2 ARG 60 8.265 1.357 -4.154 509 HD3 ARG 60 HD3 ARG 60 6.602 1.295 -3.568 510 HE ARG 60 HE ARG 60 8.044 2.689 -1.659 511 HH11 ARG 60 HH11 ARG 60 7.260 3.164 -5.000 512 HH12 ARG 60 HH12 ARG 60 7.309 4.887 -4.859 513 HH21 ARG 60 HH21 ARG 60 8.086 4.877 -1.525 514 HH22 ARG 60 HH22 ARG 60 7.776 5.839 -2.926 515 H ARG 61 H ARG 61 7.439 -3.511 -5.095 516 HA ARG 61 HA ARG 61 9.113 -5.576 -4.067 517 HB2 ARG 61 HB2 ARG 61 6.964 -5.693 -6.232 518 HB3 ARG 61 HB3 ARG 61 7.716 -7.115 -5.512 519 HG2 ARG 61 HG2 ARG 61 6.672 -6.725 -3.396 520 HG3 ARG 61 HG3 ARG 61 6.189 -5.089 -3.855 521 HD2 ARG 61 HD2 ARG 61 4.733 -6.120 -5.664 522 HD3 ARG 61 HD3 ARG 61 5.091 -7.699 -4.953 523 HE ARG 61 HE ARG 61 4.135 -6.227 -2.873 524 HH11 ARG 61 HH11 ARG 61 2.829 -7.014 -5.983 525 HH12 ARG 61 HH12 ARG 61 1.202 -6.944 -5.411 526 HH21 ARG 61 HH21 ARG 61 2.082 -6.151 -2.196 527 HH22 ARG 61 HH22 ARG 61 0.789 -6.465 -3.296 528 H ALA 62 H ALA 62 8.778 -4.107 -7.281 529 HA ALA 62 HA ALA 62 10.420 -5.924 -8.736 530 HB1 ALA 62 HB1 ALA 62 8.743 -4.464 -9.808 531 HB2 ALA 62 HB2 ALA 62 10.338 -4.246 -10.529 532 HB3 ALA 62 HB3 ALA 62 9.705 -3.040 -9.402 533 H LYS 63 H LYS 63 11.108 -2.863 -7.081 534 HA LYS 63 HA LYS 63 13.922 -2.804 -7.831 535 HB2 LYS 63 HB2 LYS 63 12.326 -1.115 -5.853 536 HB3 LYS 63 HB3 LYS 63 13.982 -0.778 -6.361 537 HG2 LYS 63 HG2 LYS 63 13.293 -0.284 -8.611 538 HG3 LYS 63 HG3 LYS 63 11.675 -0.935 -8.325 539 HD2 LYS 63 HD2 LYS 63 11.287 0.936 -6.669 540 HD3 LYS 63 HD3 LYS 63 12.844 1.625 -7.146 541 HE2 LYS 63 HE2 LYS 63 12.045 1.988 -9.417 542 HE3 LYS 63 HE3 LYS 63 10.552 1.108 -9.085 543 HZ1 LYS 63 HZ1 LYS 63 10.224 3.486 -9.058 544 HZ2 LYS 63 HZ2 LYS 63 11.362 3.665 -7.823 545 HZ3 LYS 63 HZ3 LYS 63 9.921 2.826 -7.531 546 H TRP 64 H TRP 64 12.037 -4.087 -5.220 547 HA TRP 64 HA TRP 64 14.118 -4.282 -3.222 548 HB2 TRP 64 HB2 TRP 64 11.804 -3.991 -2.548 549 HB3 TRP 64 HB3 TRP 64 11.312 -5.426 -3.426 550 HD1 TRP 64 HD1 TRP 64 13.392 -4.485 -0.253 551 HE1 TRP 64 HE1 TRP 64 13.114 -6.415 1.433 552 HE3 TRP 64 HE3 TRP 64 10.721 -7.694 -3.159 553 HZ2 TRP 64 HZ2 TRP 64 11.906 -8.970 1.519 554 HZ3 TRP 64 HZ3 TRP 64 10.022 -9.871 -2.218 555 HH2 TRP 64 HH2 TRP 64 10.607 -10.492 0.079 556 H ARG 65 H ARG 65 12.368 -6.665 -5.228 557 HA ARG 65 HA ARG 65 14.219 -8.800 -4.495 558 HB2 ARG 65 HB2 ARG 65 11.769 -9.214 -4.490 559 HB3 ARG 65 HB3 ARG 65 11.711 -8.878 -6.219 560 HG2 ARG 65 HG2 ARG 65 13.084 -10.848 -6.690 561 HG3 ARG 65 HG3 ARG 65 13.286 -11.158 -4.961 562 HD2 ARG 65 HD2 ARG 65 10.637 -11.203 -6.452 563 HD3 ARG 65 HD3 ARG 65 11.585 -12.629 -6.022 564 HE ARG 65 HE ARG 65 11.253 -11.526 -3.629 565 HH11 ARG 65 HH11 ARG 65 8.907 -11.968 -6.110 566 HH12 ARG 65 HH12 ARG 65 7.626 -12.263 -4.991 567 HH21 ARG 65 HH21 ARG 65 9.615 -11.903 -2.212 568 HH22 ARG 65 HH22 ARG 65 8.025 -12.214 -2.801 569 H LYS 66 H LYS 66 15.852 -7.294 -5.663 570 HA LYS 66 HA LYS 66 16.489 -8.702 -8.177 571 HB2 LYS 66 HB2 LYS 66 16.939 -5.711 -7.730 572 HB3 LYS 66 HB3 LYS 66 17.623 -6.634 -9.066 573 HG2 LYS 66 HG2 LYS 66 15.258 -7.164 -9.779 574 HG3 LYS 66 HG3 LYS 66 14.704 -6.026 -8.554 575 HD2 LYS 66 HD2 LYS 66 16.406 -5.384 -11.005 576 HD3 LYS 66 HD3 LYS 66 14.718 -4.952 -10.760 577 HE2 LYS 66 HE2 LYS 66 15.752 -2.925 -10.260 578 HE3 LYS 66 HE3 LYS 66 15.695 -3.641 -8.650 579 HZ1 LYS 66 HZ1 LYS 66 18.022 -3.611 -10.492 580 HZ2 LYS 66 HZ2 LYS 66 17.978 -4.407 -9.007 581 HZ3 LYS 66 HZ3 LYS 66 17.852 -2.731 -9.060 582 H ARG 67 H ARG 67 18.684 -9.207 -8.412 583 HA ARG 67 HA ARG 67 20.192 -9.465 -5.961 584 HB2 ARG 67 HB2 ARG 67 20.751 -10.269 -8.840 585 HB3 ARG 67 HB3 ARG 67 21.946 -10.503 -7.572 586 HG2 ARG 67 HG2 ARG 67 20.755 -12.584 -7.976 587 HG3 ARG 67 HG3 ARG 67 20.367 -11.995 -6.361 588 HD2 ARG 67 HD2 ARG 67 18.209 -11.109 -7.244 589 HD3 ARG 67 HD3 ARG 67 18.607 -11.774 -8.831 590 HE ARG 67 HE ARG 67 18.757 -13.964 -7.361 591 HH11 ARG 67 HH11 ARG 67 16.286 -11.522 -7.192 592 HH12 ARG 67 HH12 ARG 67 15.072 -12.667 -6.750 593 HH21 ARG 67 HH21 ARG 67 17.180 -15.359 -6.806 594 HH22 ARG 67 HH22 ARG 67 15.567 -14.799 -6.540 595 H GLU 68 H GLU 68 20.655 -7.632 -9.008 596 HA GLU 68 HA GLU 68 22.534 -5.742 -7.855 597 HB2 GLU 68 HB2 GLU 68 22.544 -6.052 -10.273 598 HB3 GLU 68 HB3 GLU 68 20.820 -5.765 -10.391 599 HG2 GLU 68 HG2 GLU 68 22.605 -3.530 -9.429 600 HG3 GLU 68 HG3 GLU 68 22.595 -3.928 -11.143 601 H ARG 69 H ARG 69 21.921 -4.075 -6.457 602 HA ARG 69 HA ARG 69 19.315 -2.837 -6.565 603 HB2 ARG 69 HB2 ARG 69 18.824 -4.985 -5.345 604 HB3 ARG 69 HB3 ARG 69 19.955 -4.497 -4.084 605 HG2 ARG 69 HG2 ARG 69 18.535 -2.497 -3.618 606 HG3 ARG 69 HG3 ARG 69 17.391 -3.046 -4.847 607 HD2 ARG 69 HD2 ARG 69 17.040 -5.133 -3.515 608 HD3 ARG 69 HD3 ARG 69 18.114 -4.478 -2.268 609 HE ARG 69 HE ARG 69 15.634 -3.084 -3.092 610 HH11 ARG 69 HH11 ARG 69 17.574 -4.410 -0.535 611 HH12 ARG 69 HH12 ARG 69 16.587 -3.709 0.696 612 HH21 ARG 69 HH21 ARG 69 14.391 -2.243 -1.495 613 HH22 ARG 69 HH22 ARG 69 14.813 -2.511 0.162 614 H PHE 70 H PHE 70 22.291 -3.320 -4.671 615 HA PHE 70 HA PHE 70 22.219 -1.252 -2.839 616 HB2 PHE 70 HB2 PHE 70 23.930 -3.005 -2.819 617 HB3 PHE 70 HB3 PHE 70 24.618 -2.409 -4.323 618 HD1 PHE 70 HD2 PHE 70 24.013 -1.449 -0.750 619 HD2 PHE 70 HD1 PHE 70 26.378 -0.803 -4.260 620 HE1 PHE 70 HE2 PHE 70 25.536 -0.001 0.531 621 HE2 PHE 70 HE1 PHE 70 27.896 0.642 -2.968 622 HZ PHE 70 HZ PHE 70 27.471 1.042 -0.576 623 H GLY 71 H GLY 71 23.817 -1.069 -6.034 624 HA2 GLY 71 HA2 GLY 71 23.364 1.875 -6.122 625 HA3 GLY 71 HA3 GLY 71 24.658 1.031 -6.966 626 H GLN 72 H GLN 72 21.091 1.119 -6.734 627 HA GLN 72 HA GLN 72 20.574 -0.111 -9.246 628 HB2 GLN 72 HB2 GLN 72 18.894 -0.014 -7.415 629 HB3 GLN 72 HB3 GLN 72 18.760 1.730 -7.622 630 HG2 GLN 72 HG2 GLN 72 17.859 1.402 -9.894 631 HG3 GLN 72 HG3 GLN 72 18.025 -0.345 -9.722 632 HE21 GLN 72 HE21 GLN 72 15.639 1.294 -10.225 633 HE22 GLN 72 HE22 GLN 72 14.533 0.890 -8.970 634 H MET 73 H MET 73 21.043 0.702 -11.188 635 HA MET 73 HA MET 73 22.114 3.301 -11.596 636 HB2 MET 73 HB2 MET 73 21.260 1.245 -13.678 637 HB3 MET 73 HB3 MET 73 22.342 2.605 -13.955 638 HG2 MET 73 HG2 MET 73 23.994 1.616 -12.428 639 HG3 MET 73 HG3 MET 73 22.906 0.264 -12.108 640 HE1 MET 73 HE1 MET 73 22.786 -1.478 -15.655 641 HE2 MET 73 HE2 MET 73 21.697 -0.192 -15.144 642 HE3 MET 73 HE3 MET 73 22.137 -1.475 -14.013 643 H GLN 74 H GLN 74 20.854 5.061 -11.489 644 HA GLN 74 HA GLN 74 18.627 5.403 -13.386 645 HB2 GLN 74 HB2 GLN 74 17.828 4.736 -10.997 646 HB3 GLN 74 HB3 GLN 74 18.367 6.322 -10.483 647 HG2 GLN 74 HG2 GLN 74 16.436 6.149 -12.782 648 HG3 GLN 74 HG3 GLN 74 15.832 5.826 -11.164 649 HE21 GLN 74 HE21 GLN 74 14.479 7.628 -11.209 650 HE22 GLN 74 HE22 GLN 74 15.074 9.242 -11.094 651 H GLN 75 H GLN 75 18.555 7.469 -14.244 652 HA GLN 75 HA GLN 75 20.997 8.881 -14.367 653 HB2 GLN 75 HB2 GLN 75 19.437 8.736 -16.265 654 HB3 GLN 75 HB3 GLN 75 18.239 9.678 -15.390 655 HG2 GLN 75 HG2 GLN 75 19.780 11.634 -15.443 656 HG3 GLN 75 HG3 GLN 75 20.933 10.678 -16.376 657 HE21 GLN 75 HE21 GLN 75 19.504 13.166 -17.084 658 HE22 GLN 75 HE22 GLN 75 18.668 12.813 -18.551 Start of MODEL 4 1 H1 SER 1 H1 SER 1 14.994 3.808 -23.437 2 H2 SER 1 H2 SER 1 16.603 3.466 -23.058 3 H3 SER 1 H3 SER 1 16.240 4.610 -24.248 4 HA SER 1 HA SER 1 15.585 4.847 -21.368 5 HB2 SER 1 HB2 SER 1 17.324 6.630 -21.322 6 HB3 SER 1 HB3 SER 1 18.021 5.078 -21.785 7 HG SER 1 HG SER 1 18.248 7.313 -23.078 8 H HIS 2 H HIS 2 14.684 6.919 -20.761 9 HA HIS 2 HA HIS 2 13.538 8.566 -22.948 10 HB2 HIS 2 HB2 HIS 2 11.689 7.336 -21.930 11 HB3 HIS 2 HB3 HIS 2 12.220 7.780 -20.311 12 HD1 HIS 2 HD1 HIS 2 11.024 9.699 -19.332 13 HD2 HIS 2 HD2 HIS 2 10.911 9.813 -23.482 14 HE1 HIS 2 HE1 HIS 2 9.612 11.681 -19.905 15 HE2 HIS 2 HE2 HIS 2 9.406 11.620 -22.407 16 H MET 3 H MET 3 14.198 10.603 -22.892 17 HA MET 3 HA MET 3 15.520 11.705 -20.492 18 HB2 MET 3 HB2 MET 3 16.738 13.198 -22.023 19 HB3 MET 3 HB3 MET 3 16.957 11.519 -22.497 20 HG2 MET 3 HG2 MET 3 15.064 13.474 -23.838 21 HG3 MET 3 HG3 MET 3 16.662 13.016 -24.439 22 HE1 MET 3 HE1 MET 3 13.917 12.809 -26.172 23 HE2 MET 3 HE2 MET 3 14.153 11.248 -26.958 24 HE3 MET 3 HE3 MET 3 15.495 12.387 -26.823 25 H SER 4 H SER 4 15.207 13.905 -19.949 26 HA SER 4 HA SER 4 13.091 15.477 -21.230 27 HB2 SER 4 HB2 SER 4 13.048 14.804 -18.250 28 HB3 SER 4 HB3 SER 4 12.055 16.052 -18.999 29 HG SER 4 HG SER 4 11.736 13.747 -20.348 30 H ASN 5 H ASN 5 14.326 17.180 -21.832 31 HA ASN 5 HA ASN 5 16.744 17.926 -20.439 32 HB2 ASN 5 HB2 ASN 5 17.106 19.505 -22.273 33 HB3 ASN 5 HB3 ASN 5 16.614 17.941 -22.905 34 HD21 ASN 5 HD21 ASN 5 16.495 20.535 -24.165 35 HD22 ASN 5 HD22 ASN 5 14.846 20.810 -24.578 36 H LYS 6 H LYS 6 13.561 18.837 -19.891 37 HA LYS 6 HA LYS 6 14.226 21.504 -18.791 38 HB2 LYS 6 HB2 LYS 6 11.510 20.203 -19.300 39 HB3 LYS 6 HB3 LYS 6 11.761 21.837 -18.680 40 HG2 LYS 6 HG2 LYS 6 12.891 22.461 -20.795 41 HG3 LYS 6 HG3 LYS 6 12.622 20.827 -21.419 42 HD2 LYS 6 HD2 LYS 6 10.164 21.191 -21.244 43 HD3 LYS 6 HD3 LYS 6 10.459 22.829 -20.646 44 HE2 LYS 6 HE2 LYS 6 11.296 21.790 -23.380 45 HE3 LYS 6 HE3 LYS 6 9.883 22.794 -23.058 46 HZ1 LYS 6 HZ1 LYS 6 11.780 24.071 -23.856 47 HZ2 LYS 6 HZ2 LYS 6 12.690 23.595 -22.515 48 HZ3 LYS 6 HZ3 LYS 6 11.315 24.557 -22.308 49 H GLY 7 H GLY 7 14.857 21.464 -16.710 50 HA2 GLY 7 HA2 GLY 7 14.049 19.443 -14.784 51 HA3 GLY 7 HA3 GLY 7 15.080 20.838 -14.486 52 H LYS 8 H LYS 8 11.691 19.960 -15.119 53 HA LYS 8 HA LYS 8 10.640 22.504 -14.264 54 HB2 LYS 8 HB2 LYS 8 9.626 21.182 -16.102 55 HB3 LYS 8 HB3 LYS 8 9.202 19.909 -14.966 56 HG2 LYS 8 HG2 LYS 8 7.683 21.486 -13.787 57 HG3 LYS 8 HG3 LYS 8 8.118 22.749 -14.944 58 HD2 LYS 8 HD2 LYS 8 7.189 21.320 -16.783 59 HD3 LYS 8 HD3 LYS 8 6.671 20.142 -15.572 60 HE2 LYS 8 HE2 LYS 8 4.792 21.567 -16.226 61 HE3 LYS 8 HE3 LYS 8 5.218 21.886 -14.544 62 HZ1 LYS 8 HZ1 LYS 8 6.404 23.861 -15.253 63 HZ2 LYS 8 HZ2 LYS 8 4.803 23.920 -15.782 64 HZ3 LYS 8 HZ3 LYS 8 6.037 23.542 -16.873 65 H LYS 9 H LYS 9 9.960 23.078 -12.271 66 HA LYS 9 HA LYS 9 10.028 21.288 -10.014 67 HB2 LYS 9 HB2 LYS 9 10.647 23.637 -9.696 68 HB3 LYS 9 HB3 LYS 9 9.066 24.168 -10.265 69 HG2 LYS 9 HG2 LYS 9 8.016 23.059 -8.286 70 HG3 LYS 9 HG3 LYS 9 9.628 22.617 -7.710 71 HD2 LYS 9 HD2 LYS 9 10.201 25.010 -7.493 72 HD3 LYS 9 HD3 LYS 9 8.600 25.458 -8.099 73 HE2 LYS 9 HE2 LYS 9 8.688 25.616 -5.641 74 HE3 LYS 9 HE3 LYS 9 7.556 24.359 -6.140 75 HZ1 LYS 9 HZ1 LYS 9 10.336 23.926 -5.176 76 HZ2 LYS 9 HZ2 LYS 9 9.292 22.706 -5.705 77 HZ3 LYS 9 HZ3 LYS 9 8.915 23.593 -4.315 78 H ARG 10 H ARG 10 8.472 19.732 -9.977 79 HA ARG 10 HA ARG 10 5.790 20.564 -9.297 80 HB2 ARG 10 HB2 ARG 10 5.805 20.273 -11.875 81 HB3 ARG 10 HB3 ARG 10 6.002 18.552 -11.578 82 HG2 ARG 10 HG2 ARG 10 3.661 19.027 -11.991 83 HG3 ARG 10 HG3 ARG 10 3.857 18.550 -10.301 84 HD2 ARG 10 HD2 ARG 10 3.818 20.950 -9.642 85 HD3 ARG 10 HD3 ARG 10 3.581 21.399 -11.336 86 HE ARG 10 HE ARG 10 1.597 19.582 -10.255 87 HH11 ARG 10 HH11 ARG 10 2.365 22.926 -10.807 88 HH12 ARG 10 HH12 ARG 10 0.712 23.416 -10.687 89 HH21 ARG 10 HH21 ARG 10 -0.487 20.254 -10.123 90 HH22 ARG 10 HH22 ARG 10 -0.872 21.927 -10.297 91 H ARG 11 H ARG 11 7.102 17.428 -10.448 92 HA ARG 11 HA ARG 11 7.009 16.306 -7.707 93 HB2 ARG 11 HB2 ARG 11 5.958 14.800 -10.145 94 HB3 ARG 11 HB3 ARG 11 5.896 14.277 -8.462 95 HG2 ARG 11 HG2 ARG 11 4.224 16.010 -7.982 96 HG3 ARG 11 HG3 ARG 11 4.335 16.604 -9.644 97 HD2 ARG 11 HD2 ARG 11 3.298 13.892 -8.726 98 HD3 ARG 11 HD3 ARG 11 2.354 15.208 -9.436 99 HE ARG 11 HE ARG 11 4.508 14.071 -11.057 100 HH11 ARG 11 HH11 ARG 11 1.094 14.209 -10.508 101 HH12 ARG 11 HH12 ARG 11 0.723 13.503 -12.039 102 HH21 ARG 11 HH21 ARG 11 4.004 13.175 -12.986 103 HH22 ARG 11 HH22 ARG 11 2.354 12.918 -13.417 104 H ASN 12 H ASN 12 8.725 14.922 -7.273 105 HA ASN 12 HA ASN 12 10.493 14.030 -9.457 106 HB2 ASN 12 HB2 ASN 12 11.468 15.072 -7.346 107 HB3 ASN 12 HB3 ASN 12 10.864 13.681 -6.450 108 HD21 ASN 12 HD21 ASN 12 13.151 14.724 -8.924 109 HD22 ASN 12 HD22 ASN 12 14.192 13.352 -8.793 110 H ARG 13 H ARG 13 8.422 12.876 -10.100 111 HA ARG 13 HA ARG 13 7.080 11.095 -10.427 112 HB2 ARG 13 HB2 ARG 13 9.298 9.935 -10.653 113 HB3 ARG 13 HB3 ARG 13 9.201 9.474 -8.958 114 HG2 ARG 13 HG2 ARG 13 7.187 8.104 -9.452 115 HG3 ARG 13 HG3 ARG 13 7.278 8.586 -11.149 116 HD2 ARG 13 HD2 ARG 13 9.407 7.009 -9.647 117 HD3 ARG 13 HD3 ARG 13 8.217 6.320 -10.754 118 HE ARG 13 HE ARG 13 9.276 7.877 -12.466 119 HH11 ARG 13 HH11 ARG 13 11.157 6.561 -9.873 120 HH12 ARG 13 HH12 ARG 13 12.601 6.519 -10.821 121 HH21 ARG 13 HH21 ARG 13 11.144 7.837 -13.635 122 HH22 ARG 13 HH22 ARG 13 12.593 7.240 -12.912 123 H THR 14 H THR 14 7.155 12.591 -7.690 124 HA THR 14 HA THR 14 6.030 10.744 -5.770 125 HB THR 14 HB THR 14 5.774 12.854 -4.342 126 HG1 THR 14 HG1 THR 14 7.048 14.683 -5.213 127 HG21 THR 14 HG21 THR 14 8.551 12.296 -5.448 128 HG22 THR 14 HG22 THR 14 7.771 11.411 -4.134 129 HG23 THR 14 HG23 THR 14 8.193 13.111 -3.923 130 H THR 15 H THR 15 4.092 10.002 -6.685 131 HA THR 15 HA THR 15 1.861 11.898 -7.037 132 HB THR 15 HB THR 15 0.535 9.895 -7.718 133 HG1 THR 15 HG1 THR 15 1.567 7.877 -7.844 134 HG21 THR 15 HG21 THR 15 3.212 10.059 -9.158 135 HG22 THR 15 HG22 THR 15 1.820 11.101 -9.465 136 HG23 THR 15 HG23 THR 15 1.722 9.374 -9.816 137 H PHE 16 H PHE 16 3.311 10.586 -4.440 138 HA PHE 16 HA PHE 16 0.844 10.212 -2.834 139 HB2 PHE 16 HB2 PHE 16 3.576 8.932 -2.374 140 HB3 PHE 16 HB3 PHE 16 2.136 8.673 -1.394 141 HD1 PHE 16 HD1 PHE 16 0.231 7.354 -2.298 142 HD2 PHE 16 HD2 PHE 16 3.882 7.769 -4.482 143 HE1 PHE 16 HE1 PHE 16 -0.388 5.444 -3.714 144 HE2 PHE 16 HE2 PHE 16 3.249 5.858 -5.896 145 HZ PHE 16 HZ PHE 16 1.114 4.695 -5.509 146 H THR 17 H THR 17 0.983 10.857 -0.597 147 HA THR 17 HA THR 17 2.815 13.121 -0.036 148 HB THR 17 HB THR 17 1.211 13.837 1.673 149 HG1 THR 17 HG1 THR 17 -0.909 12.371 1.424 150 HG21 THR 17 HG21 THR 17 -0.769 14.329 0.279 151 HG22 THR 17 HG22 THR 17 -0.250 13.123 -0.899 152 HG23 THR 17 HG23 THR 17 0.723 14.573 -0.634 153 H SER 18 H SER 18 3.021 13.303 2.589 154 HA SER 18 HA SER 18 4.890 11.383 3.415 155 HB2 SER 18 HB2 SER 18 4.846 13.630 4.404 156 HB3 SER 18 HB3 SER 18 3.276 13.312 5.141 157 HG SER 18 HG SER 18 4.250 11.792 6.493 158 H TYR 19 H TYR 19 1.631 11.860 4.863 159 HA TYR 19 HA TYR 19 1.564 9.621 6.519 160 HB2 TYR 19 HB2 TYR 19 -0.052 11.432 6.769 161 HB3 TYR 19 HB3 TYR 19 -0.743 11.098 5.187 162 HD1 TYR 19 HD2 TYR 19 -0.400 9.752 8.651 163 HD2 TYR 19 HD1 TYR 19 -2.478 9.413 4.930 164 HE1 TYR 19 HE2 TYR 19 -2.011 8.208 9.683 165 HE2 TYR 19 HE1 TYR 19 -4.079 7.868 5.967 166 HH TYR 19 HH TYR 19 -4.030 6.232 7.977 167 H GLN 20 H GLN 20 0.417 9.912 3.140 168 HA GLN 20 HA GLN 20 -0.742 7.380 2.806 169 HB2 GLN 20 HB2 GLN 20 0.634 9.166 0.751 170 HB3 GLN 20 HB3 GLN 20 -0.281 7.717 0.332 171 HG2 GLN 20 HG2 GLN 20 -2.312 8.716 1.325 172 HG3 GLN 20 HG3 GLN 20 -1.399 10.170 1.724 173 HE21 GLN 20 HE21 GLN 20 -3.760 9.828 -0.013 174 HE22 GLN 20 HE22 GLN 20 -3.304 10.471 -1.543 175 H LEU 21 H LEU 21 2.645 8.380 2.130 176 HA LEU 21 HA LEU 21 3.575 5.835 1.289 177 HB2 LEU 21 HB2 LEU 21 5.013 8.291 2.331 178 HB3 LEU 21 HB3 LEU 21 5.896 6.835 1.890 179 HG LEU 21 HG LEU 21 4.168 8.495 0.010 180 HD11 LEU 21 HD11 LEU 21 7.185 8.199 0.119 181 HD12 LEU 21 HD12 LEU 21 6.255 9.632 0.574 182 HD13 LEU 21 HD13 LEU 21 6.269 9.092 -1.103 183 HD21 LEU 21 HD21 LEU 21 5.830 6.018 -0.579 184 HD22 LEU 21 HD22 LEU 21 5.026 7.030 -1.783 185 HD23 LEU 21 HD23 LEU 21 4.066 6.134 -0.611 186 H GLU 22 H GLU 22 3.593 7.369 4.521 187 HA GLU 22 HA GLU 22 5.131 5.443 5.908 188 HB2 GLU 22 HB2 GLU 22 2.952 7.302 6.935 189 HB3 GLU 22 HB3 GLU 22 4.051 6.394 7.977 190 HG2 GLU 22 HG2 GLU 22 5.965 7.609 7.032 191 HG3 GLU 22 HG3 GLU 22 4.893 8.491 5.950 192 H GLU 23 H GLU 23 1.671 5.617 5.265 193 HA GLU 23 HA GLU 23 0.854 3.319 6.760 194 HB2 GLU 23 HB2 GLU 23 -0.403 4.975 4.560 195 HB3 GLU 23 HB3 GLU 23 -1.225 3.579 5.243 196 HG2 GLU 23 HG2 GLU 23 -0.258 5.818 7.021 197 HG3 GLU 23 HG3 GLU 23 -1.773 5.961 6.132 198 H LEU 24 H LEU 24 1.484 3.849 3.279 199 HA LEU 24 HA LEU 24 0.989 1.272 2.282 200 HB2 LEU 24 HB2 LEU 24 2.912 3.445 1.380 201 HB3 LEU 24 HB3 LEU 24 2.662 1.975 0.455 202 HG LEU 24 HG LEU 24 0.387 3.892 1.102 203 HD11 LEU 24 HD11 LEU 24 0.636 4.810 -1.160 204 HD12 LEU 24 HD12 LEU 24 2.096 3.847 -1.403 205 HD13 LEU 24 HD13 LEU 24 2.070 5.120 -0.180 206 HD21 LEU 24 HD21 LEU 24 0.637 1.724 -1.015 207 HD22 LEU 24 HD22 LEU 24 -0.766 2.765 -0.742 208 HD23 LEU 24 HD23 LEU 24 -0.287 1.599 0.486 209 H GLU 25 H GLU 25 4.039 2.698 3.453 210 HA GLU 25 HA GLU 25 5.728 0.462 3.215 211 HB2 GLU 25 HB2 GLU 25 5.893 2.928 4.978 212 HB3 GLU 25 HB3 GLU 25 7.152 1.701 4.952 213 HG2 GLU 25 HG2 GLU 25 6.261 3.213 2.498 214 HG3 GLU 25 HG3 GLU 25 7.556 3.767 3.550 215 H LYS 26 H LYS 26 3.644 1.563 5.894 216 HA LYS 26 HA LYS 26 4.435 -0.230 7.897 217 HB2 LYS 26 HB2 LYS 26 2.911 1.624 8.373 218 HB3 LYS 26 HB3 LYS 26 1.676 0.931 7.326 219 HG2 LYS 26 HG2 LYS 26 1.390 -0.956 8.864 220 HG3 LYS 26 HG3 LYS 26 2.693 -0.343 9.889 221 HD2 LYS 26 HD2 LYS 26 1.333 1.703 10.335 222 HD3 LYS 26 HD3 LYS 26 0.024 1.025 9.358 223 HE2 LYS 26 HE2 LYS 26 -0.345 0.688 11.790 224 HE3 LYS 26 HE3 LYS 26 -0.210 -0.843 10.922 225 HZ1 LYS 26 HZ1 LYS 26 2.025 -1.099 11.699 226 HZ2 LYS 26 HZ2 LYS 26 1.037 -0.780 13.035 227 HZ3 LYS 26 HZ3 LYS 26 2.022 0.440 12.402 228 H VAL 27 H VAL 27 1.812 -0.611 5.490 229 HA VAL 27 HA VAL 27 1.177 -3.320 6.105 230 HB VAL 27 HB VAL 27 0.601 -1.735 3.561 231 HG11 VAL 27 HG11 VAL 27 -1.270 -3.345 3.194 232 HG12 VAL 27 HG12 VAL 27 -0.698 -4.300 4.563 233 HG13 VAL 27 HG13 VAL 27 0.311 -4.132 3.127 234 HG21 VAL 27 HG21 VAL 27 -0.316 -0.623 5.557 235 HG22 VAL 27 HG22 VAL 27 -1.115 -2.118 6.050 236 HG23 VAL 27 HG23 VAL 27 -1.623 -1.291 4.575 237 H PHE 28 H PHE 28 3.548 -1.851 3.947 238 HA PHE 28 HA PHE 28 4.284 -4.163 2.453 239 HB2 PHE 28 HB2 PHE 28 4.857 -1.899 1.685 240 HB3 PHE 28 HB3 PHE 28 5.884 -1.644 3.090 241 HD1 PHE 28 HD1 PHE 28 5.509 -3.952 0.141 242 HD2 PHE 28 HD2 PHE 28 8.200 -2.050 2.873 243 HE1 PHE 28 HE1 PHE 28 7.425 -4.852 -1.105 244 HE2 PHE 28 HE2 PHE 28 10.113 -2.957 1.613 245 HZ PHE 28 HZ PHE 28 9.727 -4.359 -0.379 246 H GLN 29 H GLN 29 5.385 -2.861 5.571 247 HA GLN 29 HA GLN 29 7.484 -4.849 5.922 248 HB2 GLN 29 HB2 GLN 29 6.364 -2.856 7.935 249 HB3 GLN 29 HB3 GLN 29 7.828 -3.818 8.141 250 HG2 GLN 29 HG2 GLN 29 7.366 -1.588 6.137 251 HG3 GLN 29 HG3 GLN 29 8.423 -1.546 7.542 252 HE21 GLN 29 HE21 GLN 29 8.981 -1.105 4.666 253 HE22 GLN 29 HE22 GLN 29 10.251 -2.208 4.271 254 H LYS 30 H LYS 30 4.097 -4.578 6.704 255 HA LYS 30 HA LYS 30 3.963 -6.836 8.488 256 HB2 LYS 30 HB2 LYS 30 1.830 -5.575 6.712 257 HB3 LYS 30 HB3 LYS 30 1.511 -6.840 7.898 258 HG2 LYS 30 HG2 LYS 30 2.205 -5.331 9.714 259 HG3 LYS 30 HG3 LYS 30 2.586 -4.075 8.537 260 HD2 LYS 30 HD2 LYS 30 0.416 -3.620 9.566 261 HD3 LYS 30 HD3 LYS 30 0.202 -3.995 7.854 262 HE2 LYS 30 HE2 LYS 30 -0.441 -6.333 8.496 263 HE3 LYS 30 HE3 LYS 30 -0.312 -5.874 10.196 264 HZ1 LYS 30 HZ1 LYS 30 -2.199 -4.748 8.193 265 HZ2 LYS 30 HZ2 LYS 30 -2.045 -4.207 9.787 266 HZ3 LYS 30 HZ3 LYS 30 -2.583 -5.775 9.482 267 H THR 31 H THR 31 3.578 -6.356 4.992 268 HA THR 31 HA THR 31 4.196 -9.095 4.299 269 HB THR 31 HB THR 31 1.841 -9.450 4.852 270 HG1 THR 31 HG1 THR 31 1.981 -10.702 3.146 271 HG21 THR 31 HG21 THR 31 0.013 -8.266 3.703 272 HG22 THR 31 HG22 THR 31 1.178 -7.236 2.872 273 HG23 THR 31 HG23 THR 31 1.001 -7.131 4.626 274 H HIS 32 H HIS 32 4.645 -9.355 2.106 275 HA HIS 32 HA HIS 32 5.160 -6.955 0.547 276 HB2 HIS 32 HB2 HIS 32 5.703 -9.893 -0.041 277 HB3 HIS 32 HB3 HIS 32 6.240 -8.555 -1.048 278 HD1 HIS 32 HD1 HIS 32 7.355 -10.655 1.637 279 HD2 HIS 32 HD2 HIS 32 8.032 -6.718 0.501 280 HE1 HIS 32 HE1 HIS 32 9.429 -9.955 2.857 281 HE2 HIS 32 HE2 HIS 32 9.690 -7.519 2.320 282 H TYR 33 H TYR 33 2.753 -9.456 0.698 283 HA TYR 33 HA TYR 33 1.411 -8.452 -1.760 284 HB2 TYR 33 HB2 TYR 33 0.963 -11.171 -0.453 285 HB3 TYR 33 HB3 TYR 33 0.369 -10.628 -2.019 286 HD1 TYR 33 HD2 TYR 33 2.500 -9.696 -3.576 287 HD2 TYR 33 HD1 TYR 33 2.678 -12.774 -0.609 288 HE1 TYR 33 HE2 TYR 33 4.492 -10.632 -4.659 289 HE2 TYR 33 HE1 TYR 33 4.681 -13.703 -1.700 290 HH TYR 33 HH TYR 33 5.755 -13.705 -3.895 291 HA PRO 34 HA PRO 34 -1.382 -7.063 1.682 292 HB2 PRO 34 HB2 PRO 34 -2.688 -5.110 0.265 293 HB3 PRO 34 HB3 PRO 34 -1.088 -4.862 0.976 294 HG2 PRO 34 HG2 PRO 34 -1.809 -5.554 -1.873 295 HG3 PRO 34 HG3 PRO 34 -0.647 -4.348 -1.277 296 HD2 PRO 34 HD2 PRO 34 0.144 -6.802 -2.154 297 HD3 PRO 34 HD3 PRO 34 1.001 -5.949 -0.848 298 H ASP 35 H ASP 35 -3.268 -8.080 2.166 299 HA ASP 35 HA ASP 35 -4.726 -9.656 0.249 300 HB2 ASP 35 HB2 ASP 35 -5.362 -9.004 3.159 301 HB3 ASP 35 HB3 ASP 35 -6.171 -10.238 2.195 302 H VAL 36 H VAL 36 -7.121 -9.482 -0.041 303 HA VAL 36 HA VAL 36 -7.697 -7.118 -1.381 304 HB VAL 36 HB VAL 36 -8.742 -9.337 -1.847 305 HG11 VAL 36 HG11 VAL 36 -10.609 -8.753 0.486 306 HG12 VAL 36 HG12 VAL 36 -9.400 -10.039 0.410 307 HG13 VAL 36 HG13 VAL 36 -10.785 -10.073 -0.681 308 HG21 VAL 36 HG21 VAL 36 -10.737 -7.054 -1.601 309 HG22 VAL 36 HG22 VAL 36 -10.922 -8.476 -2.630 310 HG23 VAL 36 HG23 VAL 36 -9.623 -7.326 -2.944 311 H TYR 37 H TYR 37 -8.729 -8.037 1.896 312 HA TYR 37 HA TYR 37 -10.398 -5.694 2.259 313 HB2 TYR 37 HB2 TYR 37 -10.948 -7.895 3.336 314 HB3 TYR 37 HB3 TYR 37 -9.519 -7.728 4.353 315 HD1 TYR 37 HD2 TYR 37 -12.687 -5.962 3.439 316 HD2 TYR 37 HD1 TYR 37 -9.736 -6.615 6.461 317 HE1 TYR 37 HE2 TYR 37 -14.012 -4.628 5.023 318 HE2 TYR 37 HE1 TYR 37 -11.061 -5.276 8.047 319 HH TYR 37 HH TYR 37 -12.791 -3.397 7.852 320 H ALA 38 H ALA 38 -7.138 -6.701 3.224 321 HA ALA 38 HA ALA 38 -6.480 -4.579 4.981 322 HB1 ALA 38 HB1 ALA 38 -4.640 -6.141 3.138 323 HB2 ALA 38 HB2 ALA 38 -5.115 -6.620 4.768 324 HB3 ALA 38 HB3 ALA 38 -4.133 -5.173 4.527 325 H ARG 39 H ARG 39 -6.404 -4.827 1.465 326 HA ARG 39 HA ARG 39 -5.200 -2.349 0.788 327 HB2 ARG 39 HB2 ARG 39 -7.281 -3.979 -0.723 328 HB3 ARG 39 HB3 ARG 39 -6.344 -2.653 -1.414 329 HG2 ARG 39 HG2 ARG 39 -4.285 -3.912 -1.181 330 HG3 ARG 39 HG3 ARG 39 -5.120 -5.200 -0.308 331 HD2 ARG 39 HD2 ARG 39 -6.470 -5.684 -2.317 332 HD3 ARG 39 HD3 ARG 39 -5.632 -4.395 -3.191 333 HE ARG 39 HE ARG 39 -4.381 -6.893 -2.219 334 HH11 ARG 39 HH11 ARG 39 -4.506 -4.299 -4.501 335 HH12 ARG 39 HH12 ARG 39 -3.221 -4.941 -5.449 336 HH21 ARG 39 HH21 ARG 39 -2.738 -7.687 -3.414 337 HH22 ARG 39 HH22 ARG 39 -2.219 -6.854 -4.839 338 H GLU 40 H GLU 40 -8.577 -3.277 1.445 339 HA GLU 40 HA GLU 40 -9.814 -0.804 0.825 340 HB2 GLU 40 HB2 GLU 40 -10.708 -3.042 2.692 341 HB3 GLU 40 HB3 GLU 40 -11.728 -1.682 2.222 342 HG2 GLU 40 HG2 GLU 40 -10.564 -3.758 0.337 343 HG3 GLU 40 HG3 GLU 40 -12.222 -3.721 0.932 344 H GLN 41 H GLN 41 -8.691 -2.153 3.938 345 HA GLN 41 HA GLN 41 -9.348 -0.012 5.642 346 HB2 GLN 41 HB2 GLN 41 -6.970 -1.914 5.869 347 HB3 GLN 41 HB3 GLN 41 -7.624 -0.936 7.183 348 HG2 GLN 41 HG2 GLN 41 -9.730 -2.219 7.081 349 HG3 GLN 41 HG3 GLN 41 -9.086 -3.180 5.753 350 HE21 GLN 41 HE21 GLN 41 -8.952 -2.596 9.185 351 HE22 GLN 41 HE22 GLN 41 -7.991 -3.973 9.589 352 H LEU 42 H LEU 42 -6.342 -0.717 3.909 353 HA LEU 42 HA LEU 42 -4.832 1.534 4.621 354 HB2 LEU 42 HB2 LEU 42 -3.964 -0.560 3.603 355 HB3 LEU 42 HB3 LEU 42 -4.742 -0.150 2.087 356 HG LEU 42 HG LEU 42 -3.212 1.766 1.786 357 HD11 LEU 42 HD11 LEU 42 -1.961 0.909 4.410 358 HD12 LEU 42 HD12 LEU 42 -2.859 2.402 4.112 359 HD13 LEU 42 HD13 LEU 42 -1.318 2.127 3.305 360 HD21 LEU 42 HD21 LEU 42 -2.546 -0.418 0.886 361 HD22 LEU 42 HD22 LEU 42 -1.745 -0.821 2.406 362 HD23 LEU 42 HD23 LEU 42 -1.134 0.500 1.412 363 H ALA 43 H ALA 43 -7.013 1.012 1.859 364 HA ALA 43 HA ALA 43 -6.443 3.347 0.379 365 HB1 ALA 43 HB1 ALA 43 -7.519 1.360 -0.595 366 HB2 ALA 43 HB2 ALA 43 -8.472 2.815 -0.898 367 HB3 ALA 43 HB3 ALA 43 -8.974 1.671 0.353 368 H MET 44 H MET 44 -9.044 2.710 2.781 369 HA MET 44 HA MET 44 -10.333 5.243 2.393 370 HB2 MET 44 HB2 MET 44 -11.730 4.674 4.319 371 HB3 MET 44 HB3 MET 44 -11.610 3.324 3.206 372 HG2 MET 44 HG2 MET 44 -10.069 2.180 4.715 373 HG3 MET 44 HG3 MET 44 -10.081 3.568 5.811 374 HE1 MET 44 HE1 MET 44 -10.765 0.488 6.654 375 HE2 MET 44 HE2 MET 44 -12.139 0.745 7.729 376 HE3 MET 44 HE3 MET 44 -10.736 1.809 7.822 377 H ARG 45 H ARG 45 -7.802 4.157 4.607 378 HA ARG 45 HA ARG 45 -7.891 6.506 6.299 379 HB2 ARG 45 HB2 ARG 45 -5.679 4.427 6.024 380 HB3 ARG 45 HB3 ARG 45 -5.793 5.638 7.303 381 HG2 ARG 45 HG2 ARG 45 -7.970 4.566 8.005 382 HG3 ARG 45 HG3 ARG 45 -7.668 3.294 6.824 383 HD2 ARG 45 HD2 ARG 45 -6.901 2.389 8.871 384 HD3 ARG 45 HD3 ARG 45 -5.421 2.925 8.061 385 HE ARG 45 HE ARG 45 -6.733 4.714 9.988 386 HH11 ARG 45 HH11 ARG 45 -3.926 2.877 9.175 387 HH12 ARG 45 HH12 ARG 45 -3.094 3.339 10.612 388 HH21 ARG 45 HH21 ARG 45 -5.647 5.288 11.794 389 HH22 ARG 45 HH22 ARG 45 -4.056 4.684 12.073 390 H THR 46 H THR 46 -5.858 5.452 3.559 391 HA THR 46 HA THR 46 -4.068 7.740 3.698 392 HB THR 46 HB THR 46 -3.074 6.836 1.597 393 HG1 THR 46 HG1 THR 46 -4.373 4.452 1.571 394 HG21 THR 46 HG21 THR 46 -3.496 4.712 3.720 395 HG22 THR 46 HG22 THR 46 -2.257 5.971 3.747 396 HG23 THR 46 HG23 THR 46 -2.217 4.720 2.502 397 H ASP 47 H ASP 47 -7.063 7.020 2.110 398 HA ASP 47 HA ASP 47 -8.290 7.840 0.430 399 HB2 ASP 47 HB2 ASP 47 -8.117 9.990 1.658 400 HB3 ASP 47 HB3 ASP 47 -6.635 10.375 0.797 401 H LEU 48 H LEU 48 -6.898 6.085 -0.548 402 HA LEU 48 HA LEU 48 -5.751 7.046 -3.105 403 HB2 LEU 48 HB2 LEU 48 -4.632 4.833 -1.328 404 HB3 LEU 48 HB3 LEU 48 -4.174 5.024 -3.017 405 HG LEU 48 HG LEU 48 -3.695 7.117 -0.853 406 HD11 LEU 48 HD11 LEU 48 -2.330 5.144 -0.421 407 HD12 LEU 48 HD12 LEU 48 -1.329 6.487 -0.962 408 HD13 LEU 48 HD13 LEU 48 -1.713 5.171 -2.077 409 HD21 LEU 48 HD21 LEU 48 -2.264 8.228 -2.519 410 HD22 LEU 48 HD22 LEU 48 -3.929 8.112 -3.081 411 HD23 LEU 48 HD23 LEU 48 -2.704 7.015 -3.726 412 H THR 49 H THR 49 -6.235 5.802 -4.910 413 HA THR 49 HA THR 49 -8.505 4.031 -4.866 414 HB THR 49 HB THR 49 -6.605 4.776 -7.145 415 HG1 THR 49 HG1 THR 49 -9.228 5.799 -6.703 416 HG21 THR 49 HG21 THR 49 -8.430 4.072 -8.672 417 HG22 THR 49 HG22 THR 49 -9.368 3.498 -7.291 418 HG23 THR 49 HG23 THR 49 -7.843 2.713 -7.708 419 H GLU 50 H GLU 50 -8.565 1.787 -5.368 420 HA GLU 50 HA GLU 50 -6.704 0.034 -4.344 421 HB2 GLU 50 HB2 GLU 50 -8.726 -0.429 -6.571 422 HB3 GLU 50 HB3 GLU 50 -7.865 -1.729 -5.751 423 HG2 GLU 50 HG2 GLU 50 -8.930 -1.178 -3.638 424 HG3 GLU 50 HG3 GLU 50 -9.684 0.253 -4.344 425 H ALA 51 H ALA 51 -6.944 1.082 -7.760 426 HA ALA 51 HA ALA 51 -4.853 -0.459 -8.873 427 HB1 ALA 51 HB1 ALA 51 -5.820 2.301 -9.713 428 HB2 ALA 51 HB2 ALA 51 -6.501 0.761 -10.239 429 HB3 ALA 51 HB3 ALA 51 -4.858 1.197 -10.708 430 H ARG 52 H ARG 52 -4.787 2.770 -7.379 431 HA ARG 52 HA ARG 52 -2.083 3.440 -7.879 432 HB2 ARG 52 HB2 ARG 52 -3.916 5.045 -7.236 433 HB3 ARG 52 HB3 ARG 52 -3.861 4.404 -5.603 434 HG2 ARG 52 HG2 ARG 52 -2.674 6.474 -5.593 435 HG3 ARG 52 HG3 ARG 52 -1.472 5.194 -5.445 436 HD2 ARG 52 HD2 ARG 52 -2.150 6.609 -8.053 437 HD3 ARG 52 HD3 ARG 52 -0.825 7.082 -6.989 438 HE ARG 52 HE ARG 52 -0.028 4.658 -7.405 439 HH11 ARG 52 HH11 ARG 52 -1.618 6.594 -9.814 440 HH12 ARG 52 HH12 ARG 52 -0.794 5.809 -11.114 441 HH21 ARG 52 HH21 ARG 52 0.974 3.672 -9.110 442 HH22 ARG 52 HH22 ARG 52 0.646 4.197 -10.722 443 H VAL 53 H VAL 53 -3.639 1.786 -5.170 444 HA VAL 53 HA VAL 53 -1.381 1.484 -3.456 445 HB VAL 53 HB VAL 53 -3.978 -0.121 -3.621 446 HG11 VAL 53 HG11 VAL 53 -2.285 -1.444 -2.432 447 HG12 VAL 53 HG12 VAL 53 -3.502 -0.863 -1.294 448 HG13 VAL 53 HG13 VAL 53 -1.923 -0.076 -1.377 449 HG21 VAL 53 HG21 VAL 53 -4.736 1.288 -1.722 450 HG22 VAL 53 HG22 VAL 53 -4.363 2.270 -3.139 451 HG23 VAL 53 HG23 VAL 53 -3.223 2.198 -1.794 452 H GLN 54 H GLN 54 -2.912 -0.681 -5.844 453 HA GLN 54 HA GLN 54 -1.314 -2.972 -5.480 454 HB2 GLN 54 HB2 GLN 54 -3.425 -3.197 -6.581 455 HB3 GLN 54 HB3 GLN 54 -3.012 -2.000 -7.798 456 HG2 GLN 54 HG2 GLN 54 -3.075 -4.309 -8.690 457 HG3 GLN 54 HG3 GLN 54 -1.507 -3.543 -8.896 458 HE21 GLN 54 HE21 GLN 54 -0.630 -5.620 -9.224 459 HE22 GLN 54 HE22 GLN 54 -0.318 -6.686 -7.906 460 H VAL 55 H VAL 55 -0.960 -0.339 -7.910 461 HA VAL 55 HA VAL 55 1.374 -1.349 -9.156 462 HB VAL 55 HB VAL 55 0.458 1.559 -8.955 463 HG11 VAL 55 HG11 VAL 55 2.512 0.331 -10.851 464 HG12 VAL 55 HG12 VAL 55 2.853 1.479 -9.556 465 HG13 VAL 55 HG13 VAL 55 1.895 1.983 -10.948 466 HG21 VAL 55 HG21 VAL 55 -0.482 1.210 -11.223 467 HG22 VAL 55 HG22 VAL 55 -1.220 0.118 -10.051 468 HG23 VAL 55 HG23 VAL 55 0.006 -0.488 -11.169 469 H TRP 56 H TRP 56 0.954 0.665 -6.236 470 HA TRP 56 HA TRP 56 3.612 1.497 -5.887 471 HB2 TRP 56 HB2 TRP 56 1.683 2.408 -4.555 472 HB3 TRP 56 HB3 TRP 56 1.649 0.913 -3.623 473 HD1 TRP 56 HD1 TRP 56 3.710 4.118 -4.088 474 HE1 TRP 56 HE1 TRP 56 5.361 4.362 -2.137 475 HE3 TRP 56 HE3 TRP 56 3.066 -0.447 -1.857 476 HZ2 TRP 56 HZ2 TRP 56 6.289 2.855 0.053 477 HZ3 TRP 56 HZ3 TRP 56 4.383 -0.971 0.151 478 HH2 TRP 56 HH2 TRP 56 5.966 0.644 1.081 479 H PHE 57 H PHE 57 1.989 -1.387 -4.417 480 HA PHE 57 HA PHE 57 4.270 -2.347 -3.040 481 HB2 PHE 57 HB2 PHE 57 1.675 -3.685 -3.850 482 HB3 PHE 57 HB3 PHE 57 2.940 -4.594 -3.030 483 HD1 PHE 57 HD2 PHE 57 0.547 -1.772 -2.667 484 HD2 PHE 57 HD1 PHE 57 3.356 -4.300 -0.671 485 HE1 PHE 57 HE2 PHE 57 -0.240 -0.936 -0.493 486 HE2 PHE 57 HE1 PHE 57 2.557 -3.461 1.494 487 HZ PHE 57 HZ PHE 57 0.767 -1.778 1.587 488 H GLN 58 H GLN 58 3.273 -2.863 -6.369 489 HA GLN 58 HA GLN 58 5.172 -4.953 -6.974 490 HB2 GLN 58 HB2 GLN 58 3.694 -3.025 -8.810 491 HB3 GLN 58 HB3 GLN 58 4.603 -4.435 -9.353 492 HG2 GLN 58 HG2 GLN 58 3.034 -5.907 -8.129 493 HG3 GLN 58 HG3 GLN 58 2.132 -4.497 -7.585 494 HE21 GLN 58 HE21 GLN 58 0.876 -3.344 -9.114 495 HE22 GLN 58 HE22 GLN 58 0.445 -4.024 -10.639 496 H ASN 59 H ASN 59 5.065 -1.445 -7.517 497 HA ASN 59 HA ASN 59 7.543 -1.133 -8.876 498 HB2 ASN 59 HB2 ASN 59 5.429 0.459 -8.662 499 HB3 ASN 59 HB3 ASN 59 6.251 1.085 -7.244 500 HD21 ASN 59 HD21 ASN 59 7.533 0.068 -10.404 501 HD22 ASN 59 HD22 ASN 59 8.191 1.604 -10.808 502 H ARG 60 H ARG 60 6.608 -1.037 -5.527 503 HA ARG 60 HA ARG 60 8.993 -0.049 -4.332 504 HB2 ARG 60 HB2 ARG 60 6.814 0.125 -3.213 505 HB3 ARG 60 HB3 ARG 60 6.641 -1.622 -3.207 506 HG2 ARG 60 HG2 ARG 60 7.215 -0.800 -0.998 507 HG3 ARG 60 HG3 ARG 60 8.502 -1.828 -1.632 508 HD2 ARG 60 HD2 ARG 60 9.844 0.138 -2.180 509 HD3 ARG 60 HD3 ARG 60 8.529 1.208 -1.668 510 HE ARG 60 HE ARG 60 8.814 0.333 0.589 511 HH11 ARG 60 HH11 ARG 60 11.519 -0.142 -1.545 512 HH12 ARG 60 HH12 ARG 60 12.637 -0.268 -0.235 513 HH21 ARG 60 HH21 ARG 60 10.229 0.162 2.200 514 HH22 ARG 60 HH22 ARG 60 11.901 -0.129 1.876 515 H ARG 61 H ARG 61 7.610 -3.322 -4.797 516 HA ARG 61 HA ARG 61 9.856 -4.736 -3.734 517 HB2 ARG 61 HB2 ARG 61 7.379 -5.544 -5.230 518 HB3 ARG 61 HB3 ARG 61 8.715 -6.690 -5.191 519 HG2 ARG 61 HG2 ARG 61 8.689 -6.644 -2.719 520 HG3 ARG 61 HG3 ARG 61 7.330 -5.511 -2.763 521 HD2 ARG 61 HD2 ARG 61 7.223 -8.252 -4.063 522 HD3 ARG 61 HD3 ARG 61 6.772 -7.980 -2.384 523 HE ARG 61 HE ARG 61 5.034 -6.446 -3.202 524 HH11 ARG 61 HH11 ARG 61 6.302 -8.680 -5.515 525 HH12 ARG 61 HH12 ARG 61 4.817 -8.771 -6.389 526 HH21 ARG 61 HH21 ARG 61 3.148 -6.577 -4.337 527 HH22 ARG 61 HH22 ARG 61 3.051 -7.600 -5.726 528 H ALA 62 H ALA 62 9.227 -3.365 -6.883 529 HA ALA 62 HA ALA 62 11.219 -4.782 -8.372 530 HB1 ALA 62 HB1 ALA 62 9.462 -3.434 -9.463 531 HB2 ALA 62 HB2 ALA 62 11.066 -2.903 -9.968 532 HB3 ALA 62 HB3 ALA 62 10.156 -1.961 -8.783 533 H LYS 63 H LYS 63 11.288 -1.813 -6.432 534 HA LYS 63 HA LYS 63 14.119 -1.308 -6.764 535 HB2 LYS 63 HB2 LYS 63 12.480 0.526 -6.485 536 HB3 LYS 63 HB3 LYS 63 12.081 -0.065 -4.874 537 HG2 LYS 63 HG2 LYS 63 14.323 0.460 -4.081 538 HG3 LYS 63 HG3 LYS 63 14.827 0.907 -5.715 539 HD2 LYS 63 HD2 LYS 63 13.245 2.800 -5.690 540 HD3 LYS 63 HD3 LYS 63 12.714 2.343 -4.067 541 HE2 LYS 63 HE2 LYS 63 14.333 4.215 -4.023 542 HE3 LYS 63 HE3 LYS 63 14.953 2.795 -3.182 543 HZ1 LYS 63 HZ1 LYS 63 15.683 3.676 -5.927 544 HZ2 LYS 63 HZ2 LYS 63 16.226 2.258 -5.194 545 HZ3 LYS 63 HZ3 LYS 63 16.662 3.755 -4.550 546 H TRP 64 H TRP 64 12.115 -2.977 -4.435 547 HA TRP 64 HA TRP 64 14.077 -3.310 -2.364 548 HB2 TRP 64 HB2 TRP 64 11.658 -3.442 -1.889 549 HB3 TRP 64 HB3 TRP 64 11.497 -4.822 -2.963 550 HD1 TRP 64 HD1 TRP 64 12.974 -3.883 0.494 551 HE1 TRP 64 HE1 TRP 64 13.136 -6.030 1.897 552 HE3 TRP 64 HE3 TRP 64 11.661 -7.291 -3.079 553 HZ2 TRP 64 HZ2 TRP 64 12.766 -8.806 1.551 554 HZ3 TRP 64 HZ3 TRP 64 11.588 -9.684 -2.468 555 HH2 TRP 64 HH2 TRP 64 12.133 -10.424 -0.196 556 H ARG 65 H ARG 65 13.118 -5.106 -5.237 557 HA ARG 65 HA ARG 65 14.808 -7.422 -4.818 558 HB2 ARG 65 HB2 ARG 65 12.635 -7.379 -6.140 559 HB3 ARG 65 HB3 ARG 65 13.463 -6.442 -7.376 560 HG2 ARG 65 HG2 ARG 65 15.031 -8.386 -7.698 561 HG3 ARG 65 HG3 ARG 65 14.048 -9.305 -6.551 562 HD2 ARG 65 HD2 ARG 65 12.058 -8.913 -8.057 563 HD3 ARG 65 HD3 ARG 65 13.156 -8.179 -9.232 564 HE ARG 65 HE ARG 65 13.975 -10.813 -8.470 565 HH11 ARG 65 HH11 ARG 65 11.879 -9.114 -10.652 566 HH12 ARG 65 HH12 ARG 65 11.663 -10.488 -11.673 567 HH21 ARG 65 HH21 ARG 65 13.680 -12.543 -9.781 568 HH22 ARG 65 HH22 ARG 65 12.681 -12.409 -11.183 569 H LYS 66 H LYS 66 15.084 -4.305 -6.422 570 HA LYS 66 HA LYS 66 17.945 -4.747 -6.937 571 HB2 LYS 66 HB2 LYS 66 16.510 -5.247 -9.040 572 HB3 LYS 66 HB3 LYS 66 16.165 -3.521 -9.083 573 HG2 LYS 66 HG2 LYS 66 18.552 -3.022 -9.369 574 HG3 LYS 66 HG3 LYS 66 18.949 -4.740 -9.211 575 HD2 LYS 66 HD2 LYS 66 17.464 -5.126 -11.278 576 HD3 LYS 66 HD3 LYS 66 17.434 -3.370 -11.467 577 HE2 LYS 66 HE2 LYS 66 19.935 -5.098 -11.478 578 HE3 LYS 66 HE3 LYS 66 19.138 -4.442 -12.907 579 HZ1 LYS 66 HZ1 LYS 66 20.388 -2.852 -10.731 580 HZ2 LYS 66 HZ2 LYS 66 19.590 -2.211 -12.073 581 HZ3 LYS 66 HZ3 LYS 66 21.018 -3.092 -12.281 582 H ARG 67 H ARG 67 18.860 -3.200 -5.775 583 HA ARG 67 HA ARG 67 17.741 -1.195 -4.324 584 HB2 ARG 67 HB2 ARG 67 19.952 -2.009 -3.838 585 HB3 ARG 67 HB3 ARG 67 20.564 -1.467 -5.397 586 HG2 ARG 67 HG2 ARG 67 20.135 0.925 -4.604 587 HG3 ARG 67 HG3 ARG 67 19.822 0.249 -3.003 588 HD2 ARG 67 HD2 ARG 67 22.152 1.083 -3.262 589 HD3 ARG 67 HD3 ARG 67 22.095 -0.645 -2.894 590 HE ARG 67 HE ARG 67 22.200 -0.653 -5.577 591 HH11 ARG 67 HH11 ARG 67 24.192 1.085 -3.327 592 HH12 ARG 67 HH12 ARG 67 25.583 0.974 -4.347 593 HH21 ARG 67 HH21 ARG 67 23.950 -0.765 -6.823 594 HH22 ARG 67 HH22 ARG 67 25.437 -0.054 -6.312 595 H GLU 68 H GLU 68 19.639 -0.507 -7.279 596 HA GLU 68 HA GLU 68 19.910 1.279 -8.601 597 HB2 GLU 68 HB2 GLU 68 16.921 1.645 -8.217 598 HB3 GLU 68 HB3 GLU 68 17.881 2.299 -9.546 599 HG2 GLU 68 HG2 GLU 68 17.358 -0.639 -8.958 600 HG3 GLU 68 HG3 GLU 68 16.629 0.317 -10.249 601 H ARG 69 H ARG 69 21.107 2.080 -6.650 602 HA ARG 69 HA ARG 69 20.878 4.903 -6.583 603 HB2 ARG 69 HB2 ARG 69 19.132 4.302 -4.817 604 HB3 ARG 69 HB3 ARG 69 20.427 3.582 -3.864 605 HG2 ARG 69 HG2 ARG 69 21.564 5.815 -3.796 606 HG3 ARG 69 HG3 ARG 69 20.190 6.507 -4.665 607 HD2 ARG 69 HD2 ARG 69 18.709 5.798 -2.770 608 HD3 ARG 69 HD3 ARG 69 20.150 5.241 -1.900 609 HE ARG 69 HE ARG 69 19.910 8.052 -2.784 610 HH11 ARG 69 HH11 ARG 69 20.295 5.811 -0.165 611 HH12 ARG 69 HH12 ARG 69 20.583 7.061 0.989 612 HH21 ARG 69 HH21 ARG 69 20.260 9.613 -1.282 613 HH22 ARG 69 HH22 ARG 69 20.555 9.182 0.364 614 H PHE 70 H PHE 70 23.025 5.117 -7.076 615 HA PHE 70 HA PHE 70 25.096 3.570 -5.656 616 HB2 PHE 70 HB2 PHE 70 25.395 5.485 -8.019 617 HB3 PHE 70 HB3 PHE 70 26.614 4.362 -7.419 618 HD1 PHE 70 HD1 PHE 70 25.965 1.816 -7.448 619 HD2 PHE 70 HD2 PHE 70 23.969 4.796 -9.782 620 HE1 PHE 70 HE1 PHE 70 25.109 0.073 -8.954 621 HE2 PHE 70 HE2 PHE 70 23.119 3.038 -11.282 622 HZ PHE 70 HZ PHE 70 23.685 0.678 -10.866 623 H GLY 71 H GLY 71 23.659 6.691 -5.591 624 HA2 GLY 71 HA2 GLY 71 23.958 8.339 -3.956 625 HA3 GLY 71 HA3 GLY 71 25.517 7.648 -3.540 626 H GLN 72 H GLN 72 27.331 8.596 -4.357 627 HA GLN 72 HA GLN 72 27.069 10.720 -6.430 628 HB2 GLN 72 HB2 GLN 72 28.784 10.807 -3.907 629 HB3 GLN 72 HB3 GLN 72 28.777 12.030 -5.175 630 HG2 GLN 72 HG2 GLN 72 26.479 12.634 -4.644 631 HG3 GLN 72 HG3 GLN 72 26.379 11.317 -3.468 632 HE21 GLN 72 HE21 GLN 72 27.764 14.483 -4.104 633 HE22 GLN 72 HE22 GLN 72 28.194 14.824 -2.469 634 H MET 73 H MET 73 28.567 10.668 -8.053 635 HA MET 73 HA MET 73 30.589 8.599 -8.214 636 HB2 MET 73 HB2 MET 73 29.951 10.951 -10.043 637 HB3 MET 73 HB3 MET 73 31.144 9.711 -10.416 638 HG2 MET 73 HG2 MET 73 29.411 8.010 -10.517 639 HG3 MET 73 HG3 MET 73 28.192 9.162 -9.974 640 HE1 MET 73 HE1 MET 73 31.090 9.938 -12.556 641 HE2 MET 73 HE2 MET 73 30.303 9.552 -14.087 642 HE3 MET 73 HE3 MET 73 30.687 8.264 -12.945 643 H GLN 74 H GLN 74 32.260 8.869 -6.783 644 HA GLN 74 HA GLN 74 33.408 11.481 -6.199 645 HB2 GLN 74 HB2 GLN 74 32.984 9.830 -4.374 646 HB3 GLN 74 HB3 GLN 74 34.147 8.729 -5.105 647 HG2 GLN 74 HG2 GLN 74 35.923 10.473 -4.762 648 HG3 GLN 74 HG3 GLN 74 34.740 11.455 -3.903 649 HE21 GLN 74 HE21 GLN 74 35.948 11.404 -1.977 650 HE22 GLN 74 HE22 GLN 74 36.093 9.979 -1.014 651 H GLN 75 H GLN 75 34.513 12.097 -8.074 652 HA GLN 75 HA GLN 75 37.263 11.525 -8.078 653 HB2 GLN 75 HB2 GLN 75 36.573 9.470 -9.345 654 HB3 GLN 75 HB3 GLN 75 35.890 10.498 -10.603 655 HG2 GLN 75 HG2 GLN 75 38.146 11.423 -11.057 656 HG3 GLN 75 HG3 GLN 75 38.813 10.392 -9.790 657 HE21 GLN 75 HE21 GLN 75 37.383 10.432 -12.985 658 HE22 GLN 75 HE22 GLN 75 37.927 8.867 -13.456 Start of MODEL 5 1 H1 SER 1 H1 SER 1 4.530 25.099 0.783 2 H2 SER 1 H2 SER 1 5.917 25.897 0.239 3 H3 SER 1 H3 SER 1 4.793 26.715 1.204 4 HA SER 1 HA SER 1 5.259 25.314 3.066 5 HB2 SER 1 HB2 SER 1 7.322 23.983 1.252 6 HB3 SER 1 HB3 SER 1 7.057 23.612 2.958 7 HG SER 1 HG SER 1 5.904 22.458 0.956 8 H HIS 2 H HIS 2 5.811 27.353 3.866 9 HA HIS 2 HA HIS 2 8.147 28.828 3.113 10 HB2 HIS 2 HB2 HIS 2 6.323 29.075 5.534 11 HB3 HIS 2 HB3 HIS 2 7.605 30.221 5.162 12 HD1 HIS 2 HD1 HIS 2 4.190 30.253 5.032 13 HD2 HIS 2 HD2 HIS 2 7.062 30.956 2.107 14 HE1 HIS 2 HE1 HIS 2 3.041 31.649 3.293 15 HE2 HIS 2 HE2 HIS 2 4.852 32.230 1.647 16 H MET 3 H MET 3 9.874 29.485 4.656 17 HA MET 3 HA MET 3 11.686 29.125 5.946 18 HB2 MET 3 HB2 MET 3 10.070 28.600 7.754 19 HB3 MET 3 HB3 MET 3 10.058 26.917 7.271 20 HG2 MET 3 HG2 MET 3 12.436 26.725 7.931 21 HG3 MET 3 HG3 MET 3 12.422 28.419 8.424 22 HE1 MET 3 HE1 MET 3 9.797 25.204 10.511 23 HE2 MET 3 HE2 MET 3 10.812 24.851 9.115 24 HE3 MET 3 HE3 MET 3 9.398 25.890 8.935 25 H SER 4 H SER 4 10.658 27.028 3.640 26 HA SER 4 HA SER 4 13.154 25.419 3.650 27 HB2 SER 4 HB2 SER 4 11.102 24.005 3.829 28 HB3 SER 4 HB3 SER 4 10.476 24.711 2.342 29 HG SER 4 HG SER 4 12.632 22.933 2.708 30 H ASN 5 H ASN 5 14.309 27.106 2.642 31 HA ASN 5 HA ASN 5 13.496 27.924 -0.093 32 HB2 ASN 5 HB2 ASN 5 15.180 29.404 1.974 33 HB3 ASN 5 HB3 ASN 5 14.916 29.963 0.325 34 HD21 ASN 5 HD21 ASN 5 12.882 30.777 -0.243 35 HD22 ASN 5 HD22 ASN 5 11.685 31.183 0.928 36 H LYS 6 H LYS 6 14.461 26.293 -1.230 37 HA LYS 6 HA LYS 6 17.305 26.615 -1.786 38 HB2 LYS 6 HB2 LYS 6 17.119 24.747 -0.024 39 HB3 LYS 6 HB3 LYS 6 16.226 23.806 -1.213 40 HG2 LYS 6 HG2 LYS 6 18.285 24.038 -2.738 41 HG3 LYS 6 HG3 LYS 6 19.127 24.705 -1.341 42 HD2 LYS 6 HD2 LYS 6 19.741 22.433 -1.297 43 HD3 LYS 6 HD3 LYS 6 18.434 22.508 -0.114 44 HE2 LYS 6 HE2 LYS 6 18.056 20.551 -1.449 45 HE3 LYS 6 HE3 LYS 6 16.864 21.740 -1.974 46 HZ1 LYS 6 HZ1 LYS 6 17.822 20.710 -3.888 47 HZ2 LYS 6 HZ2 LYS 6 19.398 21.024 -3.360 48 HZ3 LYS 6 HZ3 LYS 6 18.393 22.300 -3.825 49 H GLY 7 H GLY 7 17.628 26.470 -3.990 50 HA2 GLY 7 HA2 GLY 7 15.530 25.831 -5.832 51 HA3 GLY 7 HA3 GLY 7 17.224 26.083 -6.234 52 H LYS 8 H LYS 8 15.737 24.152 -7.555 53 HA LYS 8 HA LYS 8 15.837 22.050 -8.355 54 HB2 LYS 8 HB2 LYS 8 18.275 21.552 -6.593 55 HB3 LYS 8 HB3 LYS 8 17.841 20.721 -8.085 56 HG2 LYS 8 HG2 LYS 8 18.735 23.618 -7.844 57 HG3 LYS 8 HG3 LYS 8 19.722 22.264 -8.405 58 HD2 LYS 8 HD2 LYS 8 18.286 21.984 -10.366 59 HD3 LYS 8 HD3 LYS 8 17.192 23.248 -9.787 60 HE2 LYS 8 HE2 LYS 8 18.683 24.113 -11.535 61 HE3 LYS 8 HE3 LYS 8 19.008 24.916 -10.000 62 HZ1 LYS 8 HZ1 LYS 8 21.058 24.336 -11.106 63 HZ2 LYS 8 HZ2 LYS 8 20.604 22.711 -11.203 64 HZ3 LYS 8 HZ3 LYS 8 20.910 23.413 -9.695 65 H LYS 9 H LYS 9 13.937 21.175 -7.554 66 HA LYS 9 HA LYS 9 13.940 19.725 -4.978 67 HB2 LYS 9 HB2 LYS 9 11.717 20.589 -6.870 68 HB3 LYS 9 HB3 LYS 9 11.425 19.361 -5.647 69 HG2 LYS 9 HG2 LYS 9 10.654 21.502 -4.831 70 HG3 LYS 9 HG3 LYS 9 12.037 20.973 -3.869 71 HD2 LYS 9 HD2 LYS 9 13.504 22.522 -5.121 72 HD3 LYS 9 HD3 LYS 9 12.136 23.027 -6.120 73 HE2 LYS 9 HE2 LYS 9 12.356 23.418 -3.110 74 HE3 LYS 9 HE3 LYS 9 12.641 24.663 -4.327 75 HZ1 LYS 9 HZ1 LYS 9 10.440 24.889 -3.443 76 HZ2 LYS 9 HZ2 LYS 9 10.069 23.277 -3.791 77 HZ3 LYS 9 HZ3 LYS 9 10.323 24.375 -5.051 78 H ARG 10 H ARG 10 13.717 17.445 -4.839 79 HA ARG 10 HA ARG 10 13.493 15.864 -7.311 80 HB2 ARG 10 HB2 ARG 10 15.963 16.486 -6.930 81 HB3 ARG 10 HB3 ARG 10 15.912 15.459 -5.501 82 HG2 ARG 10 HG2 ARG 10 15.301 13.519 -6.965 83 HG3 ARG 10 HG3 ARG 10 15.450 14.575 -8.375 84 HD2 ARG 10 HD2 ARG 10 17.872 15.005 -7.598 85 HD3 ARG 10 HD3 ARG 10 17.634 13.653 -6.477 86 HE ARG 10 HE ARG 10 17.076 13.163 -9.303 87 HH11 ARG 10 HH11 ARG 10 19.309 12.696 -6.695 88 HH12 ARG 10 HH12 ARG 10 20.236 11.538 -7.574 89 HH21 ARG 10 HH21 ARG 10 18.313 11.708 -10.404 90 HH22 ARG 10 HH22 ARG 10 19.686 10.994 -9.643 91 H ARG 11 H ARG 11 14.488 15.292 -3.868 92 HA ARG 11 HA ARG 11 12.910 12.836 -3.749 93 HB2 ARG 11 HB2 ARG 11 15.212 13.044 -2.719 94 HB3 ARG 11 HB3 ARG 11 14.538 14.136 -1.512 95 HG2 ARG 11 HG2 ARG 11 13.063 12.318 -0.699 96 HG3 ARG 11 HG3 ARG 11 13.713 11.236 -1.929 97 HD2 ARG 11 HD2 ARG 11 15.902 11.268 -0.870 98 HD3 ARG 11 HD3 ARG 11 15.368 12.492 0.290 99 HE ARG 11 HE ARG 11 13.636 10.644 0.902 100 HH11 ARG 11 HH11 ARG 11 16.949 9.998 0.108 101 HH12 ARG 11 HH12 ARG 11 17.016 8.613 1.137 102 HH21 ARG 11 HH21 ARG 11 13.773 8.870 2.202 103 HH22 ARG 11 HH22 ARG 11 15.252 7.983 2.298 104 H ASN 12 H ASN 12 12.071 16.019 -3.381 105 HA ASN 12 HA ASN 12 10.390 16.104 -1.125 106 HB2 ASN 12 HB2 ASN 12 10.133 17.644 -3.748 107 HB3 ASN 12 HB3 ASN 12 9.320 18.059 -2.241 108 HD21 ASN 12 HD21 ASN 12 10.536 18.981 -0.555 109 HD22 ASN 12 HD22 ASN 12 12.124 19.616 -0.809 110 H ARG 13 H ARG 13 8.180 15.727 -0.813 111 HA ARG 13 HA ARG 13 7.013 13.563 -2.268 112 HB2 ARG 13 HB2 ARG 13 6.047 15.283 0.030 113 HB3 ARG 13 HB3 ARG 13 4.918 14.201 -0.772 114 HG2 ARG 13 HG2 ARG 13 5.790 13.111 1.197 115 HG3 ARG 13 HG3 ARG 13 6.383 12.271 -0.235 116 HD2 ARG 13 HD2 ARG 13 8.545 13.582 0.028 117 HD3 ARG 13 HD3 ARG 13 7.917 14.160 1.579 118 HE ARG 13 HE ARG 13 8.334 11.287 0.961 119 HH11 ARG 13 HH11 ARG 13 8.609 13.906 3.221 120 HH12 ARG 13 HH12 ARG 13 9.369 12.917 4.415 121 HH21 ARG 13 HH21 ARG 13 9.322 10.066 2.513 122 HH22 ARG 13 HH22 ARG 13 9.772 10.785 4.018 123 H THR 14 H THR 14 6.424 13.862 -4.314 124 HA THR 14 HA THR 14 5.082 16.346 -5.198 125 HB THR 14 HB THR 14 6.364 14.164 -6.910 126 HG1 THR 14 HG1 THR 14 7.971 15.151 -5.694 127 HG21 THR 14 HG21 THR 14 6.357 15.855 -8.707 128 HG22 THR 14 HG22 THR 14 5.561 17.015 -7.639 129 HG23 THR 14 HG23 THR 14 4.712 15.551 -8.146 130 H THR 15 H THR 15 4.802 12.783 -5.494 131 HA THR 15 HA THR 15 2.128 13.004 -6.730 132 HB THR 15 HB THR 15 2.378 10.555 -7.215 133 HG1 THR 15 HG1 THR 15 4.750 9.866 -6.855 134 HG21 THR 15 HG21 THR 15 4.200 10.724 -8.878 135 HG22 THR 15 HG22 THR 15 4.773 12.207 -8.113 136 HG23 THR 15 HG23 THR 15 3.193 12.174 -8.900 137 H PHE 16 H PHE 16 3.622 10.867 -4.259 138 HA PHE 16 HA PHE 16 1.058 10.651 -2.802 139 HB2 PHE 16 HB2 PHE 16 3.675 9.135 -2.376 140 HB3 PHE 16 HB3 PHE 16 2.142 8.799 -1.578 141 HD1 PHE 16 HD1 PHE 16 0.166 8.025 -3.041 142 HD2 PHE 16 HD2 PHE 16 4.202 8.068 -4.447 143 HE1 PHE 16 HE1 PHE 16 -0.430 6.422 -4.807 144 HE2 PHE 16 HE2 PHE 16 3.596 6.466 -6.218 145 HZ PHE 16 HZ PHE 16 1.279 5.640 -6.399 146 H THR 17 H THR 17 0.766 11.581 -0.790 147 HA THR 17 HA THR 17 2.708 13.477 0.222 148 HB THR 17 HB THR 17 1.074 14.116 1.888 149 HG1 THR 17 HG1 THR 17 -0.503 12.838 2.575 150 HG21 THR 17 HG21 THR 17 -0.411 13.441 -0.679 151 HG22 THR 17 HG22 THR 17 0.542 14.901 -0.395 152 HG23 THR 17 HG23 THR 17 -0.930 14.612 0.535 153 H SER 18 H SER 18 3.099 13.509 2.703 154 HA SER 18 HA SER 18 4.830 11.396 3.344 155 HB2 SER 18 HB2 SER 18 5.027 12.488 5.579 156 HB3 SER 18 HB3 SER 18 5.129 13.647 4.259 157 HG SER 18 HG SER 18 3.105 13.274 6.154 158 H TYR 19 H TYR 19 1.572 12.098 4.720 159 HA TYR 19 HA TYR 19 1.450 9.931 6.536 160 HB2 TYR 19 HB2 TYR 19 -0.111 11.840 6.695 161 HB3 TYR 19 HB3 TYR 19 -0.865 11.378 5.174 162 HD1 TYR 19 HD2 TYR 19 -0.428 10.397 8.737 163 HD2 TYR 19 HD1 TYR 19 -2.539 9.571 5.108 164 HE1 TYR 19 HE2 TYR 19 -1.957 8.913 9.956 165 HE2 TYR 19 HE1 TYR 19 -4.058 8.077 6.329 166 HH TYR 19 HH TYR 19 -4.041 6.740 8.427 167 H GLN 20 H GLN 20 0.355 10.169 3.141 168 HA GLN 20 HA GLN 20 -0.884 7.650 2.882 169 HB2 GLN 20 HB2 GLN 20 0.595 9.272 0.763 170 HB3 GLN 20 HB3 GLN 20 -0.461 7.900 0.419 171 HG2 GLN 20 HG2 GLN 20 -2.369 9.130 1.392 172 HG3 GLN 20 HG3 GLN 20 -1.314 10.502 1.730 173 HE21 GLN 20 HE21 GLN 20 -3.708 10.458 0.098 174 HE22 GLN 20 HE22 GLN 20 -3.241 10.950 -1.487 175 H LEU 21 H LEU 21 2.486 8.604 2.288 176 HA LEU 21 HA LEU 21 3.531 6.065 1.588 177 HB2 LEU 21 HB2 LEU 21 4.874 8.527 2.758 178 HB3 LEU 21 HB3 LEU 21 5.762 7.120 2.184 179 HG LEU 21 HG LEU 21 3.955 8.839 0.433 180 HD11 LEU 21 HD11 LEU 21 6.983 8.845 0.601 181 HD12 LEU 21 HD12 LEU 21 5.902 10.134 1.143 182 HD13 LEU 21 HD13 LEU 21 6.003 9.734 -0.570 183 HD21 LEU 21 HD21 LEU 21 5.887 6.615 -0.318 184 HD22 LEU 21 HD22 LEU 21 4.971 7.615 -1.449 185 HD23 LEU 21 HD23 LEU 21 4.123 6.522 -0.361 186 H GLU 22 H GLU 22 2.987 7.564 4.777 187 HA GLU 22 HA GLU 22 4.528 5.816 6.393 188 HB2 GLU 22 HB2 GLU 22 1.986 7.368 7.027 189 HB3 GLU 22 HB3 GLU 22 2.864 6.443 8.240 190 HG2 GLU 22 HG2 GLU 22 3.979 8.791 6.679 191 HG3 GLU 22 HG3 GLU 22 3.360 8.854 8.327 192 H GLU 23 H GLU 23 1.104 5.602 5.379 193 HA GLU 23 HA GLU 23 0.621 3.130 6.787 194 HB2 GLU 23 HB2 GLU 23 -1.058 4.513 4.660 195 HB3 GLU 23 HB3 GLU 23 -1.592 3.161 5.661 196 HG2 GLU 23 HG2 GLU 23 -0.945 5.989 6.560 197 HG3 GLU 23 HG3 GLU 23 -2.517 5.194 6.550 198 H LEU 24 H LEU 24 1.201 3.972 3.358 199 HA LEU 24 HA LEU 24 0.896 1.433 2.177 200 HB2 LEU 24 HB2 LEU 24 2.720 3.744 1.414 201 HB3 LEU 24 HB3 LEU 24 2.498 2.328 0.398 202 HG LEU 24 HG LEU 24 0.255 4.239 1.180 203 HD11 LEU 24 HD11 LEU 24 0.367 5.098 -1.115 204 HD12 LEU 24 HD12 LEU 24 1.787 4.100 -1.434 205 HD13 LEU 24 HD13 LEU 24 1.867 5.397 -0.239 206 HD21 LEU 24 HD21 LEU 24 -1.056 3.102 -0.557 207 HD22 LEU 24 HD22 LEU 24 -0.549 1.972 0.696 208 HD23 LEU 24 HD23 LEU 24 0.284 1.990 -0.862 209 H GLU 25 H GLU 25 3.829 2.945 3.553 210 HA GLU 25 HA GLU 25 5.581 0.731 3.229 211 HB2 GLU 25 HB2 GLU 25 5.649 3.277 4.835 212 HB3 GLU 25 HB3 GLU 25 6.797 2.019 5.266 213 HG2 GLU 25 HG2 GLU 25 6.547 3.039 2.430 214 HG3 GLU 25 HG3 GLU 25 7.561 3.843 3.628 215 H LYS 26 H LYS 26 3.629 1.780 6.034 216 HA LYS 26 HA LYS 26 4.373 -0.009 8.004 217 HB2 LYS 26 HB2 LYS 26 2.814 1.810 8.438 218 HB3 LYS 26 HB3 LYS 26 1.616 1.106 7.361 219 HG2 LYS 26 HG2 LYS 26 1.339 -0.801 8.937 220 HG3 LYS 26 HG3 LYS 26 2.505 -0.050 10.033 221 HD2 LYS 26 HD2 LYS 26 -0.153 1.173 9.161 222 HD3 LYS 26 HD3 LYS 26 0.137 0.374 10.709 223 HE2 LYS 26 HE2 LYS 26 1.753 2.111 11.331 224 HE3 LYS 26 HE3 LYS 26 1.589 2.867 9.746 225 HZ1 LYS 26 HZ1 LYS 26 0.312 4.035 11.385 226 HZ2 LYS 26 HZ2 LYS 26 -0.543 2.637 11.792 227 HZ3 LYS 26 HZ3 LYS 26 -0.729 3.327 10.255 228 H VAL 27 H VAL 27 1.828 -0.523 5.562 229 HA VAL 27 HA VAL 27 1.166 -3.186 6.395 230 HB VAL 27 HB VAL 27 0.471 -1.748 3.789 231 HG11 VAL 27 HG11 VAL 27 -1.440 -3.328 3.646 232 HG12 VAL 27 HG12 VAL 27 -0.842 -4.174 5.077 233 HG13 VAL 27 HG13 VAL 27 0.111 -4.174 3.592 234 HG21 VAL 27 HG21 VAL 27 -1.674 -1.163 4.885 235 HG22 VAL 27 HG22 VAL 27 -0.307 -0.475 5.763 236 HG23 VAL 27 HG23 VAL 27 -1.120 -1.914 6.386 237 H PHE 28 H PHE 28 3.387 -1.845 3.940 238 HA PHE 28 HA PHE 28 4.062 -4.303 2.646 239 HB2 PHE 28 HB2 PHE 28 4.545 -2.076 1.642 240 HB3 PHE 28 HB3 PHE 28 5.733 -1.757 2.901 241 HD1 PHE 28 HD1 PHE 28 4.963 -4.210 0.149 242 HD2 PHE 28 HD2 PHE 28 8.013 -2.333 2.494 243 HE1 PHE 28 HE1 PHE 28 6.692 -5.282 -1.234 244 HE2 PHE 28 HE2 PHE 28 9.738 -3.410 1.103 245 HZ PHE 28 HZ PHE 28 9.081 -4.888 -0.761 246 H GLN 29 H GLN 29 5.293 -2.720 5.582 247 HA GLN 29 HA GLN 29 7.618 -4.380 5.918 248 HB2 GLN 29 HB2 GLN 29 6.159 -2.675 7.985 249 HB3 GLN 29 HB3 GLN 29 7.745 -3.401 8.209 250 HG2 GLN 29 HG2 GLN 29 6.983 -1.121 6.370 251 HG3 GLN 29 HG3 GLN 29 8.081 -1.088 7.745 252 HE21 GLN 29 HE21 GLN 29 7.735 -1.792 4.378 253 HE22 GLN 29 HE22 GLN 29 9.399 -2.118 4.054 254 H LYS 30 H LYS 30 4.250 -4.664 6.883 255 HA LYS 30 HA LYS 30 4.668 -6.952 8.642 256 HB2 LYS 30 HB2 LYS 30 2.097 -5.785 7.490 257 HB3 LYS 30 HB3 LYS 30 2.178 -7.042 8.726 258 HG2 LYS 30 HG2 LYS 30 3.299 -5.432 10.258 259 HG3 LYS 30 HG3 LYS 30 3.171 -4.182 9.018 260 HD2 LYS 30 HD2 LYS 30 1.382 -3.877 10.631 261 HD3 LYS 30 HD3 LYS 30 0.677 -4.406 9.101 262 HE2 LYS 30 HE2 LYS 30 0.557 -6.736 10.013 263 HE3 LYS 30 HE3 LYS 30 1.178 -6.141 11.556 264 HZ1 LYS 30 HZ1 LYS 30 -1.206 -6.329 11.613 265 HZ2 LYS 30 HZ2 LYS 30 -1.369 -5.336 10.256 266 HZ3 LYS 30 HZ3 LYS 30 -0.778 -4.696 11.705 267 H THR 31 H THR 31 3.080 -6.448 5.476 268 HA THR 31 HA THR 31 3.728 -9.197 4.626 269 HB THR 31 HB THR 31 1.449 -9.456 5.332 270 HG1 THR 31 HG1 THR 31 0.377 -9.799 3.247 271 HG21 THR 31 HG21 THR 31 -0.429 -8.041 4.570 272 HG22 THR 31 HG22 THR 31 0.704 -6.987 3.722 273 HG23 THR 31 HG23 THR 31 0.751 -7.094 5.484 274 H HIS 32 H HIS 32 4.630 -9.228 2.654 275 HA HIS 32 HA HIS 32 5.061 -6.826 1.141 276 HB2 HIS 32 HB2 HIS 32 5.656 -9.700 0.302 277 HB3 HIS 32 HB3 HIS 32 6.354 -8.242 -0.403 278 HD1 HIS 32 HD1 HIS 32 7.023 -10.772 2.066 279 HD2 HIS 32 HD2 HIS 32 7.972 -6.743 1.630 280 HE1 HIS 32 HE1 HIS 32 8.923 -10.357 3.653 281 HE2 HIS 32 HE2 HIS 32 9.336 -7.883 3.518 282 H TYR 33 H TYR 33 2.884 -9.580 0.821 283 HA TYR 33 HA TYR 33 1.447 -8.271 -1.429 284 HB2 TYR 33 HB2 TYR 33 1.521 -11.242 -0.715 285 HB3 TYR 33 HB3 TYR 33 0.589 -10.532 -2.028 286 HD1 TYR 33 HD2 TYR 33 1.741 -9.705 -4.088 287 HD2 TYR 33 HD1 TYR 33 3.939 -11.617 -0.953 288 HE1 TYR 33 HE2 TYR 33 3.637 -10.038 -5.614 289 HE2 TYR 33 HE1 TYR 33 5.835 -11.945 -2.487 290 HH TYR 33 HH TYR 33 6.206 -12.115 -4.952 291 HA PRO 34 HA PRO 34 -1.366 -8.008 2.314 292 HB2 PRO 34 HB2 PRO 34 -2.367 -5.605 0.827 293 HB3 PRO 34 HB3 PRO 34 -1.863 -5.757 2.515 294 HG2 PRO 34 HG2 PRO 34 -0.327 -4.483 0.731 295 HG3 PRO 34 HG3 PRO 34 0.400 -5.494 1.999 296 HD2 PRO 34 HD2 PRO 34 -0.081 -6.158 -0.908 297 HD3 PRO 34 HD3 PRO 34 1.361 -6.453 0.092 298 H ASP 35 H ASP 35 -3.311 -8.989 2.418 299 HA ASP 35 HA ASP 35 -4.729 -10.016 0.175 300 HB2 ASP 35 HB2 ASP 35 -6.406 -10.756 1.904 301 HB3 ASP 35 HB3 ASP 35 -4.748 -11.197 2.300 302 H VAL 36 H VAL 36 -7.173 -9.670 -0.104 303 HA VAL 36 HA VAL 36 -7.600 -7.120 -1.142 304 HB VAL 36 HB VAL 36 -8.792 -9.101 -1.974 305 HG11 VAL 36 HG11 VAL 36 -9.282 -10.255 0.139 306 HG12 VAL 36 HG12 VAL 36 -10.753 -10.059 -0.816 307 HG13 VAL 36 HG13 VAL 36 -10.455 -9.007 0.572 308 HG21 VAL 36 HG21 VAL 36 -9.730 -6.888 -2.524 309 HG22 VAL 36 HG22 VAL 36 -10.731 -6.933 -1.070 310 HG23 VAL 36 HG23 VAL 36 -11.014 -8.091 -2.373 311 H TYR 37 H TYR 37 -8.627 -8.373 2.040 312 HA TYR 37 HA TYR 37 -10.277 -6.138 2.771 313 HB2 TYR 37 HB2 TYR 37 -10.333 -8.499 3.802 314 HB3 TYR 37 HB3 TYR 37 -8.909 -8.039 4.729 315 HD1 TYR 37 HD2 TYR 37 -12.528 -7.508 4.270 316 HD2 TYR 37 HD1 TYR 37 -9.116 -6.417 6.610 317 HE1 TYR 37 HE2 TYR 37 -14.007 -6.508 5.962 318 HE2 TYR 37 HE1 TYR 37 -10.595 -5.417 8.301 319 HH TYR 37 HH TYR 37 -12.940 -4.418 8.334 320 H ALA 38 H ALA 38 -6.878 -6.969 3.333 321 HA ALA 38 HA ALA 38 -6.096 -4.744 4.898 322 HB1 ALA 38 HB1 ALA 38 -4.439 -6.361 2.929 323 HB2 ALA 38 HB2 ALA 38 -4.699 -6.758 4.628 324 HB3 ALA 38 HB3 ALA 38 -3.798 -5.304 4.193 325 H ARG 39 H ARG 39 -6.491 -5.151 1.402 326 HA ARG 39 HA ARG 39 -5.287 -2.666 0.585 327 HB2 ARG 39 HB2 ARG 39 -7.343 -4.319 -0.950 328 HB3 ARG 39 HB3 ARG 39 -6.239 -3.118 -1.624 329 HG2 ARG 39 HG2 ARG 39 -5.439 -5.772 -0.389 330 HG3 ARG 39 HG3 ARG 39 -5.523 -5.427 -2.113 331 HD2 ARG 39 HD2 ARG 39 -3.697 -3.911 -0.214 332 HD3 ARG 39 HD3 ARG 39 -3.204 -5.382 -1.061 333 HE ARG 39 HE ARG 39 -4.274 -3.351 -2.798 334 HH11 ARG 39 HH11 ARG 39 -1.342 -4.323 -1.216 335 HH12 ARG 39 HH12 ARG 39 -0.350 -3.702 -2.482 336 HH21 ARG 39 HH21 ARG 39 -2.992 -2.605 -4.379 337 HH22 ARG 39 HH22 ARG 39 -1.269 -2.738 -4.245 338 H GLU 40 H GLU 40 -8.588 -3.678 1.413 339 HA GLU 40 HA GLU 40 -10.044 -1.383 0.651 340 HB2 GLU 40 HB2 GLU 40 -10.581 -3.301 2.963 341 HB3 GLU 40 HB3 GLU 40 -11.747 -2.140 2.329 342 HG2 GLU 40 HG2 GLU 40 -10.556 -4.426 0.736 343 HG3 GLU 40 HG3 GLU 40 -12.093 -4.504 1.587 344 H GLN 41 H GLN 41 -8.882 -2.273 3.920 345 HA GLN 41 HA GLN 41 -9.503 0.136 5.224 346 HB2 GLN 41 HB2 GLN 41 -7.443 -2.001 5.903 347 HB3 GLN 41 HB3 GLN 41 -7.914 -0.705 7.001 348 HG2 GLN 41 HG2 GLN 41 -9.784 -2.830 5.896 349 HG3 GLN 41 HG3 GLN 41 -9.057 -2.840 7.499 350 HE21 GLN 41 HE21 GLN 41 -11.449 -1.314 5.454 351 HE22 GLN 41 HE22 GLN 41 -12.283 -0.470 6.707 352 H LEU 42 H LEU 42 -6.439 -0.914 3.723 353 HA LEU 42 HA LEU 42 -4.829 1.308 4.378 354 HB2 LEU 42 HB2 LEU 42 -3.928 -0.807 3.550 355 HB3 LEU 42 HB3 LEU 42 -4.726 -0.589 2.006 356 HG LEU 42 HG LEU 42 -3.206 1.230 1.409 357 HD11 LEU 42 HD11 LEU 42 -1.324 1.895 2.842 358 HD12 LEU 42 HD12 LEU 42 -1.945 0.878 4.146 359 HD13 LEU 42 HD13 LEU 42 -2.876 2.272 3.589 360 HD21 LEU 42 HD21 LEU 42 -2.492 -1.084 0.932 361 HD22 LEU 42 HD22 LEU 42 -1.667 -1.161 2.492 362 HD23 LEU 42 HD23 LEU 42 -1.108 -0.036 1.251 363 H ALA 43 H ALA 43 -7.008 0.785 1.603 364 HA ALA 43 HA ALA 43 -6.448 3.199 0.195 365 HB1 ALA 43 HB1 ALA 43 -8.523 2.723 -1.047 366 HB2 ALA 43 HB2 ALA 43 -8.978 1.513 0.158 367 HB3 ALA 43 HB3 ALA 43 -7.556 1.261 -0.854 368 H MET 44 H MET 44 -8.749 2.420 2.774 369 HA MET 44 HA MET 44 -10.221 4.876 2.774 370 HB2 MET 44 HB2 MET 44 -9.870 2.771 4.952 371 HB3 MET 44 HB3 MET 44 -11.020 4.102 5.038 372 HG2 MET 44 HG2 MET 44 -12.247 3.225 3.138 373 HG3 MET 44 HG3 MET 44 -11.037 1.966 2.893 374 HE1 MET 44 HE1 MET 44 -13.831 2.094 6.594 375 HE2 MET 44 HE2 MET 44 -13.856 3.320 5.327 376 HE3 MET 44 HE3 MET 44 -12.461 3.187 6.401 377 H ARG 45 H ARG 45 -7.272 3.823 4.407 378 HA ARG 45 HA ARG 45 -6.977 6.022 6.241 379 HB2 ARG 45 HB2 ARG 45 -4.907 4.093 5.085 380 HB3 ARG 45 HB3 ARG 45 -4.609 5.188 6.439 381 HG2 ARG 45 HG2 ARG 45 -6.155 4.009 7.843 382 HG3 ARG 45 HG3 ARG 45 -6.763 3.057 6.490 383 HD2 ARG 45 HD2 ARG 45 -4.524 1.981 6.280 384 HD3 ARG 45 HD3 ARG 45 -3.978 2.896 7.695 385 HE ARG 45 HE ARG 45 -6.221 0.960 7.778 386 HH11 ARG 45 HH11 ARG 45 -3.326 2.228 9.224 387 HH12 ARG 45 HH12 ARG 45 -3.445 1.168 10.587 388 HH21 ARG 45 HH21 ARG 45 -6.352 -0.330 9.515 389 HH22 ARG 45 HH22 ARG 45 -5.143 -0.271 10.745 390 H THR 46 H THR 46 -5.509 5.257 3.087 391 HA THR 46 HA THR 46 -3.889 7.685 3.051 392 HB THR 46 HB THR 46 -2.945 6.743 0.948 393 HG1 THR 46 HG1 THR 46 -4.093 4.276 1.080 394 HG21 THR 46 HG21 THR 46 -3.120 4.669 3.176 395 HG22 THR 46 HG22 THR 46 -1.978 6.018 3.121 396 HG23 THR 46 HG23 THR 46 -1.893 4.737 1.909 397 H ASP 47 H ASP 47 -7.009 6.867 1.921 398 HA ASP 47 HA ASP 47 -8.550 7.767 0.539 399 HB2 ASP 47 HB2 ASP 47 -7.914 9.920 1.625 400 HB3 ASP 47 HB3 ASP 47 -6.687 10.183 0.401 401 H LEU 48 H LEU 48 -5.854 6.462 -0.497 402 HA LEU 48 HA LEU 48 -5.868 7.230 -3.331 403 HB2 LEU 48 HB2 LEU 48 -4.163 5.226 -1.791 404 HB3 LEU 48 HB3 LEU 48 -3.948 5.629 -3.493 405 HG LEU 48 HG LEU 48 -3.637 7.631 -1.218 406 HD11 LEU 48 HD11 LEU 48 -1.929 5.902 -1.031 407 HD12 LEU 48 HD12 LEU 48 -1.219 7.424 -1.559 408 HD13 LEU 48 HD13 LEU 48 -1.480 6.123 -2.726 409 HD21 LEU 48 HD21 LEU 48 -2.898 7.848 -4.164 410 HD22 LEU 48 HD22 LEU 48 -2.572 9.063 -2.921 411 HD23 LEU 48 HD23 LEU 48 -4.234 8.680 -3.362 412 H THR 49 H THR 49 -6.674 5.937 -4.943 413 HA THR 49 HA THR 49 -8.520 3.838 -4.419 414 HB THR 49 HB THR 49 -7.150 4.481 -7.083 415 HG1 THR 49 HG1 THR 49 -9.358 5.632 -7.249 416 HG21 THR 49 HG21 THR 49 -8.400 2.332 -7.115 417 HG22 THR 49 HG22 THR 49 -9.197 3.547 -8.116 418 HG23 THR 49 HG23 THR 49 -9.842 3.163 -6.518 419 H GLU 50 H GLU 50 -8.325 1.572 -4.759 420 HA GLU 50 HA GLU 50 -6.029 0.232 -3.970 421 HB2 GLU 50 HB2 GLU 50 -8.524 -0.556 -4.186 422 HB3 GLU 50 HB3 GLU 50 -8.086 -1.047 -5.813 423 HG2 GLU 50 HG2 GLU 50 -6.742 -2.078 -3.291 424 HG3 GLU 50 HG3 GLU 50 -8.093 -2.876 -4.082 425 H ALA 51 H ALA 51 -7.016 1.099 -7.276 426 HA ALA 51 HA ALA 51 -5.063 -0.128 -8.842 427 HB1 ALA 51 HB1 ALA 51 -6.978 1.127 -9.741 428 HB2 ALA 51 HB2 ALA 51 -5.467 1.677 -10.466 429 HB3 ALA 51 HB3 ALA 51 -6.251 2.642 -9.206 430 H ARG 52 H ARG 52 -4.832 3.116 -7.282 431 HA ARG 52 HA ARG 52 -2.124 3.642 -8.013 432 HB2 ARG 52 HB2 ARG 52 -4.134 4.904 -6.200 433 HB3 ARG 52 HB3 ARG 52 -2.464 5.210 -5.763 434 HG2 ARG 52 HG2 ARG 52 -3.371 7.001 -7.160 435 HG3 ARG 52 HG3 ARG 52 -2.007 6.198 -7.937 436 HD2 ARG 52 HD2 ARG 52 -3.633 4.897 -9.333 437 HD3 ARG 52 HD3 ARG 52 -4.952 5.816 -8.592 438 HE ARG 52 HE ARG 52 -3.042 7.597 -9.679 439 HH11 ARG 52 HH11 ARG 52 -5.505 5.419 -10.811 440 HH12 ARG 52 HH12 ARG 52 -5.777 6.338 -12.247 441 HH21 ARG 52 HH21 ARG 52 -3.400 8.703 -11.510 442 HH22 ARG 52 HH22 ARG 52 -4.595 8.173 -12.639 443 H VAL 53 H VAL 53 -3.545 2.057 -5.210 444 HA VAL 53 HA VAL 53 -1.185 1.807 -3.629 445 HB VAL 53 HB VAL 53 -3.706 0.073 -3.573 446 HG11 VAL 53 HG11 VAL 53 -1.831 -0.968 -2.349 447 HG12 VAL 53 HG12 VAL 53 -3.086 -0.432 -1.232 448 HG13 VAL 53 HG13 VAL 53 -1.604 0.510 -1.412 449 HG21 VAL 53 HG21 VAL 53 -4.502 1.575 -1.763 450 HG22 VAL 53 HG22 VAL 53 -4.276 2.459 -3.272 451 HG23 VAL 53 HG23 VAL 53 -3.079 2.601 -1.982 452 H GLN 54 H GLN 54 -2.612 -0.217 -6.205 453 HA GLN 54 HA GLN 54 -0.849 -2.439 -6.077 454 HB2 GLN 54 HB2 GLN 54 -2.391 -1.230 -8.407 455 HB3 GLN 54 HB3 GLN 54 -1.380 -2.658 -8.601 456 HG2 GLN 54 HG2 GLN 54 -2.758 -3.904 -7.028 457 HG3 GLN 54 HG3 GLN 54 -3.728 -2.475 -6.693 458 HE21 GLN 54 HE21 GLN 54 -5.265 -1.820 -8.202 459 HE22 GLN 54 HE22 GLN 54 -5.746 -2.795 -9.542 460 H VAL 55 H VAL 55 -0.690 0.553 -8.013 461 HA VAL 55 HA VAL 55 1.688 0.097 -9.417 462 HB VAL 55 HB VAL 55 0.588 2.789 -8.470 463 HG11 VAL 55 HG11 VAL 55 2.562 2.200 -10.723 464 HG12 VAL 55 HG12 VAL 55 2.936 3.020 -9.206 465 HG13 VAL 55 HG13 VAL 55 1.853 3.780 -10.371 466 HG21 VAL 55 HG21 VAL 55 0.117 1.306 -11.088 467 HG22 VAL 55 HG22 VAL 55 -0.485 2.919 -10.696 468 HG23 VAL 55 HG23 VAL 55 -1.062 1.518 -9.791 469 H TRP 56 H TRP 56 1.258 1.725 -6.251 470 HA TRP 56 HA TRP 56 3.949 2.424 -5.800 471 HB2 TRP 56 HB2 TRP 56 1.966 3.280 -4.464 472 HB3 TRP 56 HB3 TRP 56 1.918 1.733 -3.626 473 HD1 TRP 56 HD1 TRP 56 3.966 4.971 -3.842 474 HE1 TRP 56 HE1 TRP 56 5.591 5.079 -1.862 475 HE3 TRP 56 HE3 TRP 56 3.313 0.251 -1.945 476 HZ2 TRP 56 HZ2 TRP 56 6.490 3.431 0.228 477 HZ3 TRP 56 HZ3 TRP 56 4.602 -0.405 0.046 478 HH2 TRP 56 HH2 TRP 56 6.157 1.150 1.108 479 H PHE 57 H PHE 57 2.122 -0.414 -4.570 480 HA PHE 57 HA PHE 57 4.254 -1.638 -3.193 481 HB2 PHE 57 HB2 PHE 57 1.533 -2.572 -4.095 482 HB3 PHE 57 HB3 PHE 57 2.682 -3.800 -3.575 483 HD1 PHE 57 HD2 PHE 57 0.890 -0.723 -2.448 484 HD2 PHE 57 HD1 PHE 57 3.132 -4.161 -1.263 485 HE1 PHE 57 HE2 PHE 57 0.350 -0.273 -0.098 486 HE2 PHE 57 HE1 PHE 57 2.590 -3.696 1.085 487 HZ PHE 57 HZ PHE 57 1.203 -1.752 1.672 488 H GLN 58 H GLN 58 3.189 -2.134 -6.582 489 HA GLN 58 HA GLN 58 4.836 -4.435 -7.019 490 HB2 GLN 58 HB2 GLN 58 3.452 -2.579 -8.994 491 HB3 GLN 58 HB3 GLN 58 4.301 -4.054 -9.460 492 HG2 GLN 58 HG2 GLN 58 2.742 -5.364 -8.008 493 HG3 GLN 58 HG3 GLN 58 1.871 -3.876 -7.652 494 HE21 GLN 58 HE21 GLN 58 2.556 -6.265 -10.093 495 HE22 GLN 58 HE22 GLN 58 1.295 -5.811 -11.178 496 H ASN 59 H ASN 59 5.347 -0.947 -7.756 497 HA ASN 59 HA ASN 59 7.973 -1.305 -8.885 498 HB2 ASN 59 HB2 ASN 59 6.530 1.129 -7.779 499 HB3 ASN 59 HB3 ASN 59 8.217 1.228 -8.278 500 HD21 ASN 59 HD21 ASN 59 4.940 1.037 -9.378 501 HD22 ASN 59 HD22 ASN 59 5.281 1.207 -11.055 502 H ARG 60 H ARG 60 6.768 -0.878 -5.613 503 HA ARG 60 HA ARG 60 9.236 -0.462 -4.251 504 HB2 ARG 60 HB2 ARG 60 6.973 0.054 -3.316 505 HB3 ARG 60 HB3 ARG 60 6.623 -1.663 -3.232 506 HG2 ARG 60 HG2 ARG 60 7.171 -0.804 -1.033 507 HG3 ARG 60 HG3 ARG 60 8.409 -1.949 -1.550 508 HD2 ARG 60 HD2 ARG 60 9.941 -0.136 -2.078 509 HD3 ARG 60 HD3 ARG 60 8.688 1.070 -1.768 510 HE ARG 60 HE ARG 60 8.720 0.293 0.591 511 HH11 ARG 60 HH11 ARG 60 11.581 -0.223 -1.314 512 HH12 ARG 60 HH12 ARG 60 12.610 -0.217 0.074 513 HH21 ARG 60 HH21 ARG 60 10.069 0.327 2.321 514 HH22 ARG 60 HH22 ARG 60 11.772 0.088 2.099 515 H ARG 61 H ARG 61 7.412 -3.400 -5.122 516 HA ARG 61 HA ARG 61 9.151 -5.319 -3.851 517 HB2 ARG 61 HB2 ARG 61 7.087 -5.658 -6.069 518 HB3 ARG 61 HB3 ARG 61 7.907 -6.998 -5.269 519 HG2 ARG 61 HG2 ARG 61 6.811 -6.495 -3.166 520 HG3 ARG 61 HG3 ARG 61 6.132 -5.006 -3.828 521 HD2 ARG 61 HD2 ARG 61 4.920 -6.460 -5.547 522 HD3 ARG 61 HD3 ARG 61 5.419 -7.857 -4.585 523 HE ARG 61 HE ARG 61 4.203 -6.492 -2.709 524 HH11 ARG 61 HH11 ARG 61 3.124 -6.816 -5.983 525 HH12 ARG 61 HH12 ARG 61 1.457 -6.716 -5.544 526 HH21 ARG 61 HH21 ARG 61 2.081 -6.347 -2.185 527 HH22 ARG 61 HH22 ARG 61 0.870 -6.433 -3.419 528 H ALA 62 H ALA 62 8.954 -3.859 -7.062 529 HA ALA 62 HA ALA 62 10.671 -5.656 -8.462 530 HB1 ALA 62 HB1 ALA 62 9.060 -4.185 -9.608 531 HB2 ALA 62 HB2 ALA 62 10.693 -3.944 -10.228 532 HB3 ALA 62 HB3 ALA 62 9.986 -2.766 -9.116 533 H LYS 63 H LYS 63 11.273 -2.579 -6.783 534 HA LYS 63 HA LYS 63 14.129 -2.577 -7.348 535 HB2 LYS 63 HB2 LYS 63 12.725 -0.488 -7.153 536 HB3 LYS 63 HB3 LYS 63 12.544 -0.811 -5.431 537 HG2 LYS 63 HG2 LYS 63 14.946 -0.525 -5.091 538 HG3 LYS 63 HG3 LYS 63 15.197 -0.345 -6.832 539 HD2 LYS 63 HD2 LYS 63 13.839 1.732 -6.808 540 HD3 LYS 63 HD3 LYS 63 13.594 1.553 -5.066 541 HE2 LYS 63 HE2 LYS 63 16.014 1.820 -4.688 542 HE3 LYS 63 HE3 LYS 63 16.289 1.933 -6.429 543 HZ1 LYS 63 HZ1 LYS 63 14.761 3.845 -4.748 544 HZ2 LYS 63 HZ2 LYS 63 14.880 3.936 -6.431 545 HZ3 LYS 63 HZ3 LYS 63 16.266 4.111 -5.475 546 H TRP 64 H TRP 64 12.014 -3.625 -4.742 547 HA TRP 64 HA TRP 64 13.972 -4.355 -2.798 548 HB2 TRP 64 HB2 TRP 64 11.678 -4.183 -2.107 549 HB3 TRP 64 HB3 TRP 64 11.140 -5.262 -3.378 550 HD1 TRP 64 HD1 TRP 64 12.890 -5.389 0.085 551 HE1 TRP 64 HE1 TRP 64 12.496 -7.729 1.073 552 HE3 TRP 64 HE3 TRP 64 10.660 -7.601 -3.938 553 HZ2 TRP 64 HZ2 TRP 64 11.384 -10.198 0.270 554 HZ3 TRP 64 HZ3 TRP 64 9.958 -9.966 -3.764 555 HH2 TRP 64 HH2 TRP 64 10.316 -11.236 -1.694 556 H ARG 65 H ARG 65 12.851 -5.875 -5.747 557 HA ARG 65 HA ARG 65 13.787 -8.541 -5.227 558 HB2 ARG 65 HB2 ARG 65 11.957 -7.573 -6.965 559 HB3 ARG 65 HB3 ARG 65 13.336 -7.524 -8.049 560 HG2 ARG 65 HG2 ARG 65 12.185 -9.581 -8.440 561 HG3 ARG 65 HG3 ARG 65 13.680 -9.992 -7.593 562 HD2 ARG 65 HD2 ARG 65 12.442 -10.218 -5.482 563 HD3 ARG 65 HD3 ARG 65 10.947 -9.712 -6.281 564 HE ARG 65 HE ARG 65 12.287 -12.091 -7.329 565 HH11 ARG 65 HH11 ARG 65 9.657 -10.861 -5.414 566 HH12 ARG 65 HH12 ARG 65 8.829 -12.377 -5.418 567 HH21 ARG 65 HH21 ARG 65 11.210 -13.997 -7.296 568 HH22 ARG 65 HH22 ARG 65 9.692 -14.127 -6.479 569 H LYS 66 H LYS 66 15.890 -9.174 -5.273 570 HA LYS 66 HA LYS 66 18.009 -7.399 -5.948 571 HB2 LYS 66 HB2 LYS 66 18.336 -8.961 -4.150 572 HB3 LYS 66 HB3 LYS 66 17.992 -10.340 -5.186 573 HG2 LYS 66 HG2 LYS 66 20.085 -10.150 -6.316 574 HG3 LYS 66 HG3 LYS 66 20.392 -8.546 -5.655 575 HD2 LYS 66 HD2 LYS 66 20.133 -10.898 -3.760 576 HD3 LYS 66 HD3 LYS 66 21.627 -10.684 -4.669 577 HE2 LYS 66 HE2 LYS 66 21.752 -9.672 -2.411 578 HE3 LYS 66 HE3 LYS 66 21.963 -8.471 -3.681 579 HZ1 LYS 66 HZ1 LYS 66 19.449 -8.947 -2.180 580 HZ2 LYS 66 HZ2 LYS 66 19.706 -7.750 -3.348 581 HZ3 LYS 66 HZ3 LYS 66 20.546 -7.696 -1.887 582 H ARG 67 H ARG 67 19.368 -7.271 -7.661 583 HA ARG 67 HA ARG 67 19.939 -7.119 -9.816 584 HB2 ARG 67 HB2 ARG 67 19.321 -10.101 -9.889 585 HB3 ARG 67 HB3 ARG 67 20.078 -9.217 -11.215 586 HG2 ARG 67 HG2 ARG 67 21.943 -8.599 -9.600 587 HG3 ARG 67 HG3 ARG 67 21.212 -9.719 -8.445 588 HD2 ARG 67 HD2 ARG 67 23.038 -10.816 -9.634 589 HD3 ARG 67 HD3 ARG 67 21.503 -11.569 -10.077 590 HE ARG 67 HE ARG 67 22.164 -9.542 -11.953 591 HH11 ARG 67 HH11 ARG 67 23.172 -12.743 -11.077 592 HH12 ARG 67 HH12 ARG 67 23.718 -13.103 -12.675 593 HH21 ARG 67 HH21 ARG 67 22.877 -10.053 -13.974 594 HH22 ARG 67 HH22 ARG 67 23.563 -11.607 -14.284 595 H GLU 68 H GLU 68 18.527 -5.725 -10.670 596 HA GLU 68 HA GLU 68 15.811 -6.265 -11.332 597 HB2 GLU 68 HB2 GLU 68 17.612 -4.017 -12.360 598 HB3 GLU 68 HB3 GLU 68 15.863 -4.073 -12.514 599 HG2 GLU 68 HG2 GLU 68 16.274 -2.571 -10.748 600 HG3 GLU 68 HG3 GLU 68 15.747 -4.054 -9.966 601 H ARG 69 H ARG 69 15.044 -7.370 -13.032 602 HA ARG 69 HA ARG 69 16.573 -8.604 -15.038 603 HB2 ARG 69 HB2 ARG 69 14.392 -9.466 -14.334 604 HB3 ARG 69 HB3 ARG 69 13.577 -8.028 -14.944 605 HG2 ARG 69 HG2 ARG 69 14.250 -8.659 -17.258 606 HG3 ARG 69 HG3 ARG 69 15.015 -10.119 -16.625 607 HD2 ARG 69 HD2 ARG 69 12.857 -10.956 -15.849 608 HD3 ARG 69 HD3 ARG 69 12.065 -9.452 -16.334 609 HE ARG 69 HE ARG 69 13.127 -10.294 -18.659 610 HH11 ARG 69 HH11 ARG 69 11.270 -12.084 -16.332 611 HH12 ARG 69 HH12 ARG 69 10.492 -13.030 -17.550 612 HH21 ARG 69 HH21 ARG 69 12.111 -11.514 -20.167 613 HH22 ARG 69 HH22 ARG 69 10.964 -12.715 -19.685 614 H PHE 70 H PHE 70 17.820 -7.332 -16.317 615 HA PHE 70 HA PHE 70 18.578 -5.781 -17.768 616 HB2 PHE 70 HB2 PHE 70 16.966 -7.091 -19.238 617 HB3 PHE 70 HB3 PHE 70 15.767 -5.836 -18.953 618 HD1 PHE 70 HD1 PHE 70 19.316 -6.202 -20.167 619 HD2 PHE 70 HD2 PHE 70 15.608 -4.101 -20.563 620 HE1 PHE 70 HE1 PHE 70 20.227 -4.943 -22.071 621 HE2 PHE 70 HE2 PHE 70 16.532 -2.848 -22.471 622 HZ PHE 70 HZ PHE 70 18.839 -3.268 -23.223 623 H GLY 71 H GLY 71 18.006 -4.685 -15.356 624 HA2 GLY 71 HA2 GLY 71 16.344 -2.308 -15.524 625 HA3 GLY 71 HA3 GLY 71 17.368 -2.789 -14.182 626 H GLN 72 H GLN 72 19.736 -2.488 -14.476 627 HA GLN 72 HA GLN 72 20.319 0.093 -15.789 628 HB2 GLN 72 HB2 GLN 72 21.912 -1.445 -13.693 629 HB3 GLN 72 HB3 GLN 72 22.308 0.159 -14.313 630 HG2 GLN 72 HG2 GLN 72 20.140 1.000 -13.380 631 HG3 GLN 72 HG3 GLN 72 19.866 -0.596 -12.673 632 HE21 GLN 72 HE21 GLN 72 21.789 2.319 -12.512 633 HE22 GLN 72 HE22 GLN 72 22.481 2.009 -10.963 634 H MET 73 H MET 73 20.495 -3.013 -16.708 635 HA MET 73 HA MET 73 21.468 -4.170 -18.387 636 HB2 MET 73 HB2 MET 73 22.976 -1.613 -19.060 637 HB3 MET 73 HB3 MET 73 22.837 -3.026 -20.097 638 HG2 MET 73 HG2 MET 73 20.452 -2.644 -20.361 639 HG3 MET 73 HG3 MET 73 20.507 -1.308 -19.212 640 HE1 MET 73 HE1 MET 73 21.835 1.013 -19.711 641 HE2 MET 73 HE2 MET 73 22.697 1.320 -21.221 642 HE3 MET 73 HE3 MET 73 23.299 0.105 -20.096 643 H GLN 74 H GLN 74 23.198 -5.557 -18.678 644 HA GLN 74 HA GLN 74 25.130 -6.685 -18.373 645 HB2 GLN 74 HB2 GLN 74 26.199 -4.641 -19.246 646 HB3 GLN 74 HB3 GLN 74 26.278 -3.961 -17.628 647 HG2 GLN 74 HG2 GLN 74 27.848 -5.778 -16.975 648 HG3 GLN 74 HG3 GLN 74 27.778 -6.397 -18.626 649 HE21 GLN 74 HE21 GLN 74 28.907 -3.759 -16.601 650 HE22 GLN 74 HE22 GLN 74 30.033 -3.119 -17.740 651 H GLN 75 H GLN 75 25.033 -8.149 -16.760 652 HA GLN 75 HA GLN 75 24.837 -9.186 -14.775 653 HB2 GLN 75 HB2 GLN 75 26.701 -6.949 -13.885 654 HB3 GLN 75 HB3 GLN 75 26.201 -8.237 -12.805 655 HG2 GLN 75 HG2 GLN 75 28.355 -8.855 -13.625 656 HG3 GLN 75 HG3 GLN 75 27.191 -9.902 -14.432 657 HE21 GLN 75 HE21 GLN 75 29.437 -7.249 -14.838 658 HE22 GLN 75 HE22 GLN 75 29.511 -7.317 -16.562 Start of MODEL 6 1 H1 SER 1 H1 SER 1 31.177 -3.741 -19.910 2 H2 SER 1 H2 SER 1 31.919 -3.067 -18.549 3 H3 SER 1 H3 SER 1 32.409 -2.601 -20.099 4 HA SER 1 HA SER 1 30.327 -1.574 -20.548 5 HB2 SER 1 HB2 SER 1 29.556 -2.462 -17.736 6 HB3 SER 1 HB3 SER 1 28.573 -1.435 -18.784 7 HG SER 1 HG SER 1 28.253 -3.881 -18.676 8 H HIS 2 H HIS 2 30.106 0.649 -20.139 9 HA HIS 2 HA HIS 2 31.953 1.868 -18.171 10 HB2 HIS 2 HB2 HIS 2 32.109 2.551 -20.607 11 HB3 HIS 2 HB3 HIS 2 30.485 3.217 -20.496 12 HD1 HIS 2 HD1 HIS 2 30.235 5.290 -18.760 13 HD2 HIS 2 HD2 HIS 2 34.111 4.243 -19.822 14 HE1 HIS 2 HE1 HIS 2 31.652 7.257 -18.127 15 HE2 HIS 2 HE2 HIS 2 34.004 6.533 -18.625 16 H MET 3 H MET 3 31.157 2.961 -16.423 17 HA MET 3 HA MET 3 28.433 2.830 -15.647 18 HB2 MET 3 HB2 MET 3 30.712 4.510 -14.517 19 HB3 MET 3 HB3 MET 3 29.136 4.334 -13.746 20 HG2 MET 3 HG2 MET 3 30.715 2.873 -12.663 21 HG3 MET 3 HG3 MET 3 29.554 1.885 -13.546 22 HE1 MET 3 HE1 MET 3 32.751 -0.305 -13.904 23 HE2 MET 3 HE2 MET 3 31.038 -0.272 -13.483 24 HE3 MET 3 HE3 MET 3 32.211 0.595 -12.485 25 H SER 4 H SER 4 26.745 4.136 -16.122 26 HA SER 4 HA SER 4 27.106 6.372 -17.936 27 HB2 SER 4 HB2 SER 4 24.567 6.355 -17.997 28 HB3 SER 4 HB3 SER 4 25.318 4.824 -18.453 29 HG SER 4 HG SER 4 23.555 5.302 -16.489 30 H ASN 5 H ASN 5 28.056 8.012 -16.720 31 HA ASN 5 HA ASN 5 26.450 9.248 -14.548 32 HB2 ASN 5 HB2 ASN 5 28.801 8.691 -13.963 33 HB3 ASN 5 HB3 ASN 5 29.380 9.662 -15.315 34 HD21 ASN 5 HD21 ASN 5 30.548 11.070 -14.040 35 HD22 ASN 5 HD22 ASN 5 29.816 12.200 -12.961 36 H LYS 6 H LYS 6 24.954 10.423 -15.746 37 HA LYS 6 HA LYS 6 25.956 12.602 -17.505 38 HB2 LYS 6 HB2 LYS 6 23.163 11.351 -17.440 39 HB3 LYS 6 HB3 LYS 6 23.686 12.644 -18.519 40 HG2 LYS 6 HG2 LYS 6 25.284 11.107 -19.603 41 HG3 LYS 6 HG3 LYS 6 24.799 9.818 -18.492 42 HD2 LYS 6 HD2 LYS 6 22.501 9.897 -19.404 43 HD3 LYS 6 HD3 LYS 6 22.975 11.187 -20.514 44 HE2 LYS 6 HE2 LYS 6 24.554 9.648 -21.628 45 HE3 LYS 6 HE3 LYS 6 24.109 8.363 -20.497 46 HZ1 LYS 6 HZ1 LYS 6 22.944 8.163 -22.590 47 HZ2 LYS 6 HZ2 LYS 6 22.268 9.696 -22.399 48 HZ3 LYS 6 HZ3 LYS 6 21.859 8.454 -21.330 49 H GLY 7 H GLY 7 25.983 14.524 -16.440 50 HA2 GLY 7 HA2 GLY 7 24.481 14.922 -13.966 51 HA3 GLY 7 HA3 GLY 7 25.726 15.969 -14.622 52 H LYS 8 H LYS 8 22.597 14.843 -15.961 53 HA LYS 8 HA LYS 8 21.775 17.644 -16.445 54 HB2 LYS 8 HB2 LYS 8 20.898 14.990 -17.651 55 HB3 LYS 8 HB3 LYS 8 19.904 16.429 -17.814 56 HG2 LYS 8 HG2 LYS 8 21.225 16.152 -19.817 57 HG3 LYS 8 HG3 LYS 8 21.775 17.593 -18.958 58 HD2 LYS 8 HD2 LYS 8 23.699 16.249 -18.050 59 HD3 LYS 8 HD3 LYS 8 23.163 14.873 -19.020 60 HE2 LYS 8 HE2 LYS 8 24.982 16.026 -20.161 61 HE3 LYS 8 HE3 LYS 8 23.496 16.244 -21.081 62 HZ1 LYS 8 HZ1 LYS 8 23.277 18.452 -20.125 63 HZ2 LYS 8 HZ2 LYS 8 24.765 18.295 -20.910 64 HZ3 LYS 8 HZ3 LYS 8 24.686 18.234 -19.226 65 H LYS 9 H LYS 9 21.277 18.102 -14.286 66 HA LYS 9 HA LYS 9 19.403 16.622 -12.690 67 HB2 LYS 9 HB2 LYS 9 21.266 18.136 -11.824 68 HB3 LYS 9 HB3 LYS 9 20.333 19.522 -12.349 69 HG2 LYS 9 HG2 LYS 9 19.264 17.532 -10.319 70 HG3 LYS 9 HG3 LYS 9 20.268 18.896 -9.845 71 HD2 LYS 9 HD2 LYS 9 17.590 19.136 -11.281 72 HD3 LYS 9 HD3 LYS 9 17.800 19.267 -9.538 73 HE2 LYS 9 HE2 LYS 9 17.641 21.489 -10.377 74 HE3 LYS 9 HE3 LYS 9 19.334 21.241 -9.973 75 HZ1 LYS 9 HZ1 LYS 9 18.218 21.036 -12.719 76 HZ2 LYS 9 HZ2 LYS 9 19.851 20.993 -12.286 77 HZ3 LYS 9 HZ3 LYS 9 18.962 22.413 -12.086 78 H ARG 10 H ARG 10 17.294 16.477 -13.310 79 HA ARG 10 HA ARG 10 15.958 18.681 -14.721 80 HB2 ARG 10 HB2 ARG 10 14.869 15.914 -14.040 81 HB3 ARG 10 HB3 ARG 10 14.162 17.080 -15.157 82 HG2 ARG 10 HG2 ARG 10 16.121 16.821 -16.657 83 HG3 ARG 10 HG3 ARG 10 16.821 15.646 -15.537 84 HD2 ARG 10 HD2 ARG 10 14.823 14.189 -15.894 85 HD3 ARG 10 HD3 ARG 10 14.209 15.358 -17.068 86 HE ARG 10 HE ARG 10 16.624 13.676 -17.393 87 HH11 ARG 10 HH11 ARG 10 14.239 15.719 -18.844 88 HH12 ARG 10 HH12 ARG 10 14.636 15.212 -20.447 89 HH21 ARG 10 HH21 ARG 10 17.083 13.021 -19.447 90 HH22 ARG 10 HH22 ARG 10 16.221 13.700 -20.783 91 H ARG 11 H ARG 11 14.214 16.545 -12.514 92 HA ARG 11 HA ARG 11 14.020 17.954 -10.151 93 HB2 ARG 11 HB2 ARG 11 11.843 19.157 -10.330 94 HB3 ARG 11 HB3 ARG 11 13.094 19.863 -11.347 95 HG2 ARG 11 HG2 ARG 11 11.980 18.315 -13.223 96 HG3 ARG 11 HG3 ARG 11 10.578 18.416 -12.149 97 HD2 ARG 11 HD2 ARG 11 10.502 20.170 -13.870 98 HD3 ARG 11 HD3 ARG 11 10.687 20.892 -12.266 99 HE ARG 11 HE ARG 11 13.139 21.032 -12.808 100 HH11 ARG 11 HH11 ARG 11 10.824 21.139 -15.385 101 HH12 ARG 11 HH12 ARG 11 11.930 21.910 -16.464 102 HH21 ARG 11 HH21 ARG 11 14.525 21.959 -14.213 103 HH22 ARG 11 HH22 ARG 11 13.996 22.370 -15.808 104 H ASN 12 H ASN 12 12.765 16.818 -8.689 105 HA ASN 12 HA ASN 12 11.432 14.384 -9.625 106 HB2 ASN 12 HB2 ASN 12 11.355 13.785 -7.182 107 HB3 ASN 12 HB3 ASN 12 12.978 14.052 -7.794 108 HD21 ASN 12 HD21 ASN 12 14.105 15.944 -7.133 109 HD22 ASN 12 HD22 ASN 12 13.626 16.841 -5.737 110 H ARG 13 H ARG 13 9.245 14.177 -9.759 111 HA ARG 13 HA ARG 13 7.485 16.287 -8.731 112 HB2 ARG 13 HB2 ARG 13 7.139 15.371 -11.035 113 HB3 ARG 13 HB3 ARG 13 6.781 13.790 -10.346 114 HG2 ARG 13 HG2 ARG 13 4.777 14.637 -9.272 115 HG3 ARG 13 HG3 ARG 13 5.188 16.297 -9.702 116 HD2 ARG 13 HD2 ARG 13 3.444 15.519 -11.176 117 HD3 ARG 13 HD3 ARG 13 4.932 15.709 -12.105 118 HE ARG 13 HE ARG 13 4.146 13.049 -11.103 119 HH11 ARG 13 HH11 ARG 13 4.800 15.106 -13.823 120 HH12 ARG 13 HH12 ARG 13 4.642 13.810 -14.956 121 HH21 ARG 13 HH21 ARG 13 3.973 11.438 -12.551 122 HH22 ARG 13 HH22 ARG 13 4.199 11.744 -14.238 123 H THR 14 H THR 14 6.478 16.101 -6.805 124 HA THR 14 HA THR 14 7.228 14.039 -4.996 125 HB THR 14 HB THR 14 5.845 15.254 -3.316 126 HG1 THR 14 HG1 THR 14 4.363 16.678 -3.895 127 HG21 THR 14 HG21 THR 14 7.048 17.405 -3.382 128 HG22 THR 14 HG22 THR 14 7.486 17.128 -5.069 129 HG23 THR 14 HG23 THR 14 8.132 16.077 -3.805 130 H THR 15 H THR 15 6.467 12.046 -5.308 131 HA THR 15 HA THR 15 3.839 11.363 -6.244 132 HB THR 15 HB THR 15 4.570 8.993 -5.811 133 HG1 THR 15 HG1 THR 15 6.231 10.095 -4.074 134 HG21 THR 15 HG21 THR 15 6.683 10.662 -7.230 135 HG22 THR 15 HG22 THR 15 5.191 10.057 -7.956 136 HG23 THR 15 HG23 THR 15 6.434 8.924 -7.422 137 H PHE 16 H PHE 16 2.030 11.223 -5.047 138 HA PHE 16 HA PHE 16 0.534 11.148 -3.345 139 HB2 PHE 16 HB2 PHE 16 2.627 9.440 -1.907 140 HB3 PHE 16 HB3 PHE 16 0.913 9.519 -1.516 141 HD1 PHE 16 HD1 PHE 16 -0.766 8.743 -3.354 142 HD2 PHE 16 HD2 PHE 16 3.404 7.801 -3.451 143 HE1 PHE 16 HE1 PHE 16 -1.211 6.877 -4.893 144 HE2 PHE 16 HE2 PHE 16 2.946 5.935 -4.983 145 HZ PHE 16 HZ PHE 16 0.639 5.471 -5.707 146 H THR 17 H THR 17 0.634 11.335 -0.570 147 HA THR 17 HA THR 17 2.478 13.599 0.038 148 HB THR 17 HB THR 17 0.086 14.208 0.408 149 HG1 THR 17 HG1 THR 17 0.801 15.382 2.026 150 HG21 THR 17 HG21 THR 17 -1.196 13.217 2.271 151 HG22 THR 17 HG22 THR 17 0.095 12.046 2.546 152 HG23 THR 17 HG23 THR 17 -0.831 11.999 1.045 153 H SER 18 H SER 18 3.135 13.657 2.416 154 HA SER 18 HA SER 18 4.889 11.532 2.927 155 HB2 SER 18 HB2 SER 18 5.208 13.856 3.780 156 HB3 SER 18 HB3 SER 18 3.895 13.600 4.929 157 HG SER 18 HG SER 18 5.140 11.971 5.908 158 H TYR 19 H TYR 19 1.706 12.237 4.371 159 HA TYR 19 HA TYR 19 1.661 10.186 6.323 160 HB2 TYR 19 HB2 TYR 19 0.095 12.076 6.413 161 HB3 TYR 19 HB3 TYR 19 -0.659 11.560 4.910 162 HD1 TYR 19 HD2 TYR 19 -0.087 10.505 8.463 163 HD2 TYR 19 HD1 TYR 19 -2.489 9.998 4.960 164 HE1 TYR 19 HE2 TYR 19 -1.662 9.118 9.737 165 HE2 TYR 19 HE1 TYR 19 -4.053 8.605 6.232 166 HH TYR 19 HH TYR 19 -3.969 7.159 8.319 167 H GLN 20 H GLN 20 0.359 10.245 2.969 168 HA GLN 20 HA GLN 20 -0.816 7.694 2.917 169 HB2 GLN 20 HB2 GLN 20 0.360 9.364 0.663 170 HB3 GLN 20 HB3 GLN 20 -0.472 7.834 0.377 171 HG2 GLN 20 HG2 GLN 20 -2.532 8.717 1.312 172 HG3 GLN 20 HG3 GLN 20 -1.727 10.216 1.768 173 HE21 GLN 20 HE21 GLN 20 -4.052 9.838 0.051 174 HE22 GLN 20 HE22 GLN 20 -3.650 10.541 -1.469 175 H LEU 21 H LEU 21 2.489 8.623 1.850 176 HA LEU 21 HA LEU 21 3.462 6.042 1.225 177 HB2 LEU 21 HB2 LEU 21 4.954 8.506 2.213 178 HB3 LEU 21 HB3 LEU 21 5.749 7.070 1.573 179 HG LEU 21 HG LEU 21 3.898 8.925 0.020 180 HD11 LEU 21 HD11 LEU 21 6.900 8.539 -0.200 181 HD12 LEU 21 HD12 LEU 21 6.069 9.940 0.486 182 HD13 LEU 21 HD13 LEU 21 5.898 9.574 -1.227 183 HD21 LEU 21 HD21 LEU 21 5.398 6.460 -0.937 184 HD22 LEU 21 HD22 LEU 21 4.515 7.593 -1.965 185 HD23 LEU 21 HD23 LEU 21 3.648 6.632 -0.773 186 H GLU 22 H GLU 22 3.357 7.784 4.303 187 HA GLU 22 HA GLU 22 4.924 6.050 5.886 188 HB2 GLU 22 HB2 GLU 22 3.558 8.478 6.262 189 HB3 GLU 22 HB3 GLU 22 2.708 7.394 7.343 190 HG2 GLU 22 HG2 GLU 22 5.719 7.695 7.381 191 HG3 GLU 22 HG3 GLU 22 4.660 8.771 8.286 192 H GLU 23 H GLU 23 1.446 6.034 5.160 193 HA GLU 23 HA GLU 23 0.747 3.804 6.851 194 HB2 GLU 23 HB2 GLU 23 -0.763 4.977 4.476 195 HB3 GLU 23 HB3 GLU 23 -1.432 3.883 5.683 196 HG2 GLU 23 HG2 GLU 23 -0.386 6.662 6.284 197 HG3 GLU 23 HG3 GLU 23 -2.077 6.291 5.954 198 H LEU 24 H LEU 24 1.302 4.174 3.334 199 HA LEU 24 HA LEU 24 0.698 1.603 2.409 200 HB2 LEU 24 HB2 LEU 24 2.774 3.583 1.377 201 HB3 LEU 24 HB3 LEU 24 2.300 2.139 0.496 202 HG LEU 24 HG LEU 24 0.374 4.400 1.194 203 HD11 LEU 24 HD11 LEU 24 2.105 5.242 -0.310 204 HD12 LEU 24 HD12 LEU 24 0.549 5.136 -1.130 205 HD13 LEU 24 HD13 LEU 24 1.794 3.921 -1.443 206 HD21 LEU 24 HD21 LEU 24 0.046 2.066 -0.720 207 HD22 LEU 24 HD22 LEU 24 -1.116 3.373 -0.462 208 HD23 LEU 24 HD23 LEU 24 -0.745 2.255 0.846 209 H GLU 25 H GLU 25 3.805 2.870 3.633 210 HA GLU 25 HA GLU 25 5.305 0.532 3.199 211 HB2 GLU 25 HB2 GLU 25 6.261 2.801 3.349 212 HB3 GLU 25 HB3 GLU 25 5.821 2.881 5.055 213 HG2 GLU 25 HG2 GLU 25 7.345 1.092 5.580 214 HG3 GLU 25 HG3 GLU 25 7.695 0.840 3.872 215 H LYS 26 H LYS 26 3.413 1.653 6.040 216 HA LYS 26 HA LYS 26 4.269 -0.155 8.008 217 HB2 LYS 26 HB2 LYS 26 1.470 0.936 7.540 218 HB3 LYS 26 HB3 LYS 26 1.922 0.011 8.970 219 HG2 LYS 26 HG2 LYS 26 3.570 1.780 9.554 220 HG3 LYS 26 HG3 LYS 26 3.019 2.713 8.157 221 HD2 LYS 26 HD2 LYS 26 0.718 2.775 9.125 222 HD3 LYS 26 HD3 LYS 26 1.303 1.884 10.536 223 HE2 LYS 26 HE2 LYS 26 1.170 4.247 11.073 224 HE3 LYS 26 HE3 LYS 26 2.869 3.770 11.023 225 HZ1 LYS 26 HZ1 LYS 26 3.073 4.746 8.850 226 HZ2 LYS 26 HZ2 LYS 26 2.429 5.893 9.910 227 HZ3 LYS 26 HZ3 LYS 26 1.423 5.106 8.802 228 H VAL 27 H VAL 27 1.640 -0.585 5.627 229 HA VAL 27 HA VAL 27 0.970 -3.269 6.282 230 HB VAL 27 HB VAL 27 0.561 -1.756 3.664 231 HG11 VAL 27 HG11 VAL 27 -1.246 -3.397 3.171 232 HG12 VAL 27 HG12 VAL 27 -0.798 -4.317 4.607 233 HG13 VAL 27 HG13 VAL 27 0.336 -4.180 3.262 234 HG21 VAL 27 HG21 VAL 27 -1.722 -1.308 4.518 235 HG22 VAL 27 HG22 VAL 27 -0.492 -0.623 5.583 236 HG23 VAL 27 HG23 VAL 27 -1.315 -2.121 6.033 237 H PHE 28 H PHE 28 3.263 -1.877 3.940 238 HA PHE 28 HA PHE 28 4.071 -4.233 2.604 239 HB2 PHE 28 HB2 PHE 28 4.503 -1.867 1.851 240 HB3 PHE 28 HB3 PHE 28 5.718 -1.714 3.109 241 HD1 PHE 28 HD1 PHE 28 4.859 -3.593 0.002 242 HD2 PHE 28 HD2 PHE 28 7.975 -2.434 2.692 243 HE1 PHE 28 HE1 PHE 28 6.533 -4.457 -1.565 244 HE2 PHE 28 HE2 PHE 28 9.649 -3.310 1.114 245 HZ PHE 28 HZ PHE 28 8.930 -4.323 -1.015 246 H GLN 29 H GLN 29 5.119 -2.851 5.697 247 HA GLN 29 HA GLN 29 7.436 -4.487 6.104 248 HB2 GLN 29 HB2 GLN 29 5.690 -3.017 8.123 249 HB3 GLN 29 HB3 GLN 29 7.229 -3.778 8.510 250 HG2 GLN 29 HG2 GLN 29 6.818 -1.454 6.617 251 HG3 GLN 29 HG3 GLN 29 7.456 -1.355 8.253 252 HE21 GLN 29 HE21 GLN 29 8.646 -0.574 5.679 253 HE22 GLN 29 HE22 GLN 29 10.144 -1.424 5.576 254 H LYS 30 H LYS 30 4.068 -4.728 7.291 255 HA LYS 30 HA LYS 30 4.472 -7.161 8.767 256 HB2 LYS 30 HB2 LYS 30 1.862 -5.904 7.806 257 HB3 LYS 30 HB3 LYS 30 2.002 -7.197 8.997 258 HG2 LYS 30 HG2 LYS 30 3.304 -5.625 10.467 259 HG3 LYS 30 HG3 LYS 30 2.986 -4.339 9.297 260 HD2 LYS 30 HD2 LYS 30 1.398 -4.186 11.145 261 HD3 LYS 30 HD3 LYS 30 0.535 -4.638 9.672 262 HE2 LYS 30 HE2 LYS 30 0.505 -7.001 10.418 263 HE3 LYS 30 HE3 LYS 30 1.392 -6.560 11.878 264 HZ1 LYS 30 HZ1 LYS 30 -0.942 -6.770 12.328 265 HZ2 LYS 30 HZ2 LYS 30 -1.329 -5.646 11.133 266 HZ3 LYS 30 HZ3 LYS 30 -0.479 -5.156 12.511 267 H THR 31 H THR 31 3.324 -6.419 5.516 268 HA THR 31 HA THR 31 3.728 -9.128 4.584 269 HB THR 31 HB THR 31 1.484 -9.461 5.392 270 HG1 THR 31 HG1 THR 31 0.559 -9.191 2.886 271 HG21 THR 31 HG21 THR 31 0.702 -7.120 5.572 272 HG22 THR 31 HG22 THR 31 -0.467 -8.116 4.704 273 HG23 THR 31 HG23 THR 31 0.589 -7.019 3.812 274 H HIS 32 H HIS 32 4.920 -8.766 2.825 275 HA HIS 32 HA HIS 32 4.983 -6.356 1.317 276 HB2 HIS 32 HB2 HIS 32 6.059 -9.106 0.555 277 HB3 HIS 32 HB3 HIS 32 6.503 -7.586 -0.220 278 HD1 HIS 32 HD1 HIS 32 7.115 -9.631 2.847 279 HD2 HIS 32 HD2 HIS 32 8.287 -5.970 1.269 280 HE1 HIS 32 HE1 HIS 32 9.024 -8.864 4.279 281 HE2 HIS 32 HE2 HIS 32 9.626 -6.596 3.399 282 H TYR 33 H TYR 33 3.116 -9.265 0.971 283 HA TYR 33 HA TYR 33 1.955 -8.471 -1.626 284 HB2 TYR 33 HB2 TYR 33 1.632 -11.041 -0.004 285 HB3 TYR 33 HB3 TYR 33 0.920 -10.742 -1.584 286 HD1 TYR 33 HD1 TYR 33 4.079 -11.453 0.220 287 HD2 TYR 33 HD2 TYR 33 2.283 -10.891 -3.621 288 HE1 TYR 33 HE1 TYR 33 6.079 -12.383 -0.853 289 HE2 TYR 33 HE2 TYR 33 4.292 -11.815 -4.694 290 HH TYR 33 HH TYR 33 6.711 -12.110 -4.162 291 HA PRO 34 HA PRO 34 -1.314 -6.939 1.273 292 HB2 PRO 34 HB2 PRO 34 -2.282 -4.918 -0.209 293 HB3 PRO 34 HB3 PRO 34 -0.698 -4.800 0.573 294 HG2 PRO 34 HG2 PRO 34 -1.327 -5.491 -2.306 295 HG3 PRO 34 HG3 PRO 34 -0.120 -4.347 -1.676 296 HD2 PRO 34 HD2 PRO 34 0.506 -6.926 -2.422 297 HD3 PRO 34 HD3 PRO 34 1.405 -6.029 -1.183 298 H ASP 35 H ASP 35 -3.018 -8.279 1.439 299 HA ASP 35 HA ASP 35 -4.534 -9.469 -0.656 300 HB2 ASP 35 HB2 ASP 35 -5.319 -9.045 2.261 301 HB3 ASP 35 HB3 ASP 35 -6.013 -10.225 1.150 302 H VAL 36 H VAL 36 -7.079 -9.145 -0.729 303 HA VAL 36 HA VAL 36 -7.583 -6.527 -1.668 304 HB VAL 36 HB VAL 36 -8.842 -8.483 -2.508 305 HG11 VAL 36 HG11 VAL 36 -10.791 -9.414 -1.308 306 HG12 VAL 36 HG12 VAL 36 -10.389 -8.438 0.109 307 HG13 VAL 36 HG13 VAL 36 -9.286 -9.706 -0.431 308 HG21 VAL 36 HG21 VAL 36 -9.709 -6.236 -2.977 309 HG22 VAL 36 HG22 VAL 36 -10.632 -6.247 -1.471 310 HG23 VAL 36 HG23 VAL 36 -11.049 -7.369 -2.767 311 H TYR 37 H TYR 37 -8.501 -8.056 1.424 312 HA TYR 37 HA TYR 37 -9.981 -5.829 2.445 313 HB2 TYR 37 HB2 TYR 37 -10.174 -8.255 3.220 314 HB3 TYR 37 HB3 TYR 37 -8.653 -8.042 4.077 315 HD1 TYR 37 HD2 TYR 37 -12.171 -6.818 3.861 316 HD2 TYR 37 HD1 TYR 37 -8.644 -7.016 6.280 317 HE1 TYR 37 HE2 TYR 37 -13.430 -5.928 5.772 318 HE2 TYR 37 HE1 TYR 37 -9.907 -6.124 8.190 319 HH TYR 37 HH TYR 37 -13.317 -5.894 8.198 320 H ALA 38 H ALA 38 -6.609 -6.891 2.691 321 HA ALA 38 HA ALA 38 -5.611 -4.990 4.519 322 HB1 ALA 38 HB1 ALA 38 -4.134 -6.297 2.207 323 HB2 ALA 38 HB2 ALA 38 -4.334 -6.985 3.820 324 HB3 ALA 38 HB3 ALA 38 -3.389 -5.510 3.604 325 H ARG 39 H ARG 39 -6.004 -4.814 0.962 326 HA ARG 39 HA ARG 39 -4.824 -2.194 0.657 327 HB2 ARG 39 HB2 ARG 39 -6.583 -3.811 -1.234 328 HB3 ARG 39 HB3 ARG 39 -5.786 -2.294 -1.665 329 HG2 ARG 39 HG2 ARG 39 -3.578 -3.393 -1.220 330 HG3 ARG 39 HG3 ARG 39 -4.434 -4.910 -0.932 331 HD2 ARG 39 HD2 ARG 39 -4.322 -3.333 -3.519 332 HD3 ARG 39 HD3 ARG 39 -3.589 -4.909 -3.200 333 HE ARG 39 HE ARG 39 -6.469 -4.345 -3.528 334 HH11 ARG 39 HH11 ARG 39 -3.976 -6.744 -3.212 335 HH12 ARG 39 HH12 ARG 39 -4.983 -7.999 -3.842 336 HH21 ARG 39 HH21 ARG 39 -7.735 -5.967 -4.239 337 HH22 ARG 39 HH22 ARG 39 -7.097 -7.574 -4.385 338 H GLU 40 H GLU 40 -8.105 -3.453 1.105 339 HA GLU 40 HA GLU 40 -9.562 -1.092 0.535 340 HB2 GLU 40 HB2 GLU 40 -10.157 -3.573 2.163 341 HB3 GLU 40 HB3 GLU 40 -11.288 -2.225 2.186 342 HG2 GLU 40 HG2 GLU 40 -10.390 -3.666 -0.327 343 HG3 GLU 40 HG3 GLU 40 -11.882 -4.001 0.546 344 H GLN 41 H GLN 41 -8.528 -2.396 3.720 345 HA GLN 41 HA GLN 41 -9.342 -0.193 5.301 346 HB2 GLN 41 HB2 GLN 41 -7.086 -2.172 5.841 347 HB3 GLN 41 HB3 GLN 41 -7.855 -1.140 7.045 348 HG2 GLN 41 HG2 GLN 41 -9.180 -3.394 5.510 349 HG3 GLN 41 HG3 GLN 41 -8.666 -3.443 7.188 350 HE21 GLN 41 HE21 GLN 41 -11.051 -2.247 4.957 351 HE22 GLN 41 HE22 GLN 41 -12.196 -1.729 6.138 352 H LEU 42 H LEU 42 -6.281 -0.895 3.661 353 HA LEU 42 HA LEU 42 -4.779 1.340 4.576 354 HB2 LEU 42 HB2 LEU 42 -3.756 -0.671 3.612 355 HB3 LEU 42 HB3 LEU 42 -4.521 -0.349 2.068 356 HG LEU 42 HG LEU 42 -3.110 1.633 1.729 357 HD11 LEU 42 HD11 LEU 42 -1.858 1.000 4.418 358 HD12 LEU 42 HD12 LEU 42 -2.872 2.393 4.033 359 HD13 LEU 42 HD13 LEU 42 -1.296 2.220 3.269 360 HD21 LEU 42 HD21 LEU 42 -2.288 -0.534 0.944 361 HD22 LEU 42 HD22 LEU 42 -1.487 -0.819 2.490 362 HD23 LEU 42 HD23 LEU 42 -0.948 0.498 1.446 363 H ALA 43 H ALA 43 -6.932 0.888 1.787 364 HA ALA 43 HA ALA 43 -6.406 3.435 0.542 365 HB1 ALA 43 HB1 ALA 43 -7.238 1.520 -0.758 366 HB2 ALA 43 HB2 ALA 43 -8.339 2.889 -0.893 367 HB3 ALA 43 HB3 ALA 43 -8.745 1.527 0.159 368 H MET 44 H MET 44 -8.549 2.355 3.106 369 HA MET 44 HA MET 44 -10.099 4.813 3.231 370 HB2 MET 44 HB2 MET 44 -9.749 2.614 5.329 371 HB3 MET 44 HB3 MET 44 -10.905 3.945 5.428 372 HG2 MET 44 HG2 MET 44 -10.882 1.713 3.391 373 HG3 MET 44 HG3 MET 44 -12.061 1.967 4.680 374 HE1 MET 44 HE1 MET 44 -13.988 1.702 2.694 375 HE2 MET 44 HE2 MET 44 -12.689 1.523 1.515 376 HE3 MET 44 HE3 MET 44 -13.971 2.703 1.243 377 H ARG 45 H ARG 45 -7.222 3.491 4.862 378 HA ARG 45 HA ARG 45 -6.644 5.537 6.705 379 HB2 ARG 45 HB2 ARG 45 -4.831 3.629 5.162 380 HB3 ARG 45 HB3 ARG 45 -4.168 4.782 6.312 381 HG2 ARG 45 HG2 ARG 45 -6.165 2.596 6.992 382 HG3 ARG 45 HG3 ARG 45 -4.420 2.518 7.262 383 HD2 ARG 45 HD2 ARG 45 -4.670 4.613 8.694 384 HD3 ARG 45 HD3 ARG 45 -6.414 4.381 8.584 385 HE ARG 45 HE ARG 45 -6.156 2.301 9.797 386 HH11 ARG 45 HH11 ARG 45 -3.292 4.258 9.771 387 HH12 ARG 45 HH12 ARG 45 -2.702 3.585 11.252 388 HH21 ARG 45 HH21 ARG 45 -5.350 1.446 11.677 389 HH22 ARG 45 HH22 ARG 45 -3.851 2.021 12.311 390 H THR 46 H THR 46 -5.704 5.213 3.301 391 HA THR 46 HA THR 46 -4.153 7.721 3.349 392 HB THR 46 HB THR 46 -3.287 6.946 1.139 393 HG1 THR 46 HG1 THR 46 -4.315 4.394 1.339 394 HG21 THR 46 HG21 THR 46 -2.129 6.231 3.217 395 HG22 THR 46 HG22 THR 46 -1.996 5.025 1.932 396 HG23 THR 46 HG23 THR 46 -3.130 4.773 3.263 397 H ASP 47 H ASP 47 -7.251 6.639 2.324 398 HA ASP 47 HA ASP 47 -8.887 7.329 0.932 399 HB2 ASP 47 HB2 ASP 47 -7.405 9.978 1.146 400 HB3 ASP 47 HB3 ASP 47 -8.931 9.818 0.279 401 H LEU 48 H LEU 48 -6.333 6.204 -0.171 402 HA LEU 48 HA LEU 48 -6.319 7.124 -2.953 403 HB2 LEU 48 HB2 LEU 48 -4.763 4.945 -1.507 404 HB3 LEU 48 HB3 LEU 48 -4.600 5.268 -3.227 405 HG LEU 48 HG LEU 48 -3.951 7.283 -1.036 406 HD11 LEU 48 HD11 LEU 48 -2.382 5.401 -0.955 407 HD12 LEU 48 HD12 LEU 48 -1.589 6.858 -1.547 408 HD13 LEU 48 HD13 LEU 48 -2.042 5.582 -2.682 409 HD21 LEU 48 HD21 LEU 48 -4.633 8.348 -3.139 410 HD22 LEU 48 HD22 LEU 48 -3.445 7.393 -4.031 411 HD23 LEU 48 HD23 LEU 48 -2.909 8.591 -2.848 412 H THR 49 H THR 49 -6.350 5.343 -4.648 413 HA THR 49 HA THR 49 -8.618 3.475 -4.279 414 HB THR 49 HB THR 49 -7.197 4.221 -6.890 415 HG1 THR 49 HG1 THR 49 -9.596 5.400 -5.875 416 HG21 THR 49 HG21 THR 49 -8.584 2.169 -7.027 417 HG22 THR 49 HG22 THR 49 -9.282 3.478 -7.984 418 HG23 THR 49 HG23 THR 49 -9.975 3.062 -6.413 419 H GLU 50 H GLU 50 -8.362 1.203 -4.984 420 HA GLU 50 HA GLU 50 -6.008 -0.126 -4.254 421 HB2 GLU 50 HB2 GLU 50 -8.228 -1.041 -6.114 422 HB3 GLU 50 HB3 GLU 50 -6.930 -2.098 -5.565 423 HG2 GLU 50 HG2 GLU 50 -7.698 -1.655 -3.193 424 HG3 GLU 50 HG3 GLU 50 -9.098 -0.821 -3.876 425 H ALA 51 H ALA 51 -6.776 1.352 -7.367 426 HA ALA 51 HA ALA 51 -4.802 0.219 -9.029 427 HB1 ALA 51 HB1 ALA 51 -4.994 2.303 -10.346 428 HB2 ALA 51 HB2 ALA 51 -5.847 3.077 -9.004 429 HB3 ALA 51 HB3 ALA 51 -6.582 1.711 -9.844 430 H ARG 52 H ARG 52 -4.597 3.149 -6.959 431 HA ARG 52 HA ARG 52 -1.825 3.664 -7.468 432 HB2 ARG 52 HB2 ARG 52 -3.863 4.785 -5.543 433 HB3 ARG 52 HB3 ARG 52 -2.165 5.158 -5.283 434 HG2 ARG 52 HG2 ARG 52 -3.209 6.960 -6.516 435 HG3 ARG 52 HG3 ARG 52 -2.030 6.148 -7.546 436 HD2 ARG 52 HD2 ARG 52 -3.978 4.868 -8.572 437 HD3 ARG 52 HD3 ARG 52 -5.060 5.924 -7.656 438 HE ARG 52 HE ARG 52 -3.185 6.825 -9.767 439 HH11 ARG 52 HH11 ARG 52 -6.127 7.331 -8.003 440 HH12 ARG 52 HH12 ARG 52 -6.626 8.631 -9.023 441 HH21 ARG 52 HH21 ARG 52 -3.847 8.494 -11.029 442 HH22 ARG 52 HH22 ARG 52 -5.347 9.282 -10.701 443 H VAL 53 H VAL 53 -3.528 1.904 -4.918 444 HA VAL 53 HA VAL 53 -1.295 1.394 -3.221 445 HB VAL 53 HB VAL 53 -3.855 -0.239 -3.542 446 HG11 VAL 53 HG11 VAL 53 -2.116 -1.555 -2.397 447 HG12 VAL 53 HG12 VAL 53 -3.378 -1.093 -1.252 448 HG13 VAL 53 HG13 VAL 53 -1.837 -0.233 -1.259 449 HG21 VAL 53 HG21 VAL 53 -3.234 2.010 -1.578 450 HG22 VAL 53 HG22 VAL 53 -4.699 1.024 -1.574 451 HG23 VAL 53 HG23 VAL 53 -4.363 2.098 -2.935 452 H GLN 54 H GLN 54 -2.703 -0.392 -5.980 453 HA GLN 54 HA GLN 54 -1.040 -2.692 -5.851 454 HB2 GLN 54 HB2 GLN 54 -3.113 -2.678 -7.201 455 HB3 GLN 54 HB3 GLN 54 -2.414 -1.491 -8.298 456 HG2 GLN 54 HG2 GLN 54 -0.695 -3.128 -8.998 457 HG3 GLN 54 HG3 GLN 54 -1.364 -4.318 -7.887 458 HE21 GLN 54 HE21 GLN 54 -3.318 -5.324 -8.424 459 HE22 GLN 54 HE22 GLN 54 -3.970 -5.277 -10.021 460 H VAL 55 H VAL 55 -0.767 0.237 -7.928 461 HA VAL 55 HA VAL 55 1.622 -0.408 -9.251 462 HB VAL 55 HB VAL 55 0.466 2.339 -8.610 463 HG11 VAL 55 HG11 VAL 55 2.685 1.660 -10.595 464 HG12 VAL 55 HG12 VAL 55 2.862 2.631 -9.130 465 HG13 VAL 55 HG13 VAL 55 1.879 3.227 -10.468 466 HG21 VAL 55 HG21 VAL 55 -1.009 0.905 -9.973 467 HG22 VAL 55 HG22 VAL 55 0.296 0.652 -11.135 468 HG23 VAL 55 HG23 VAL 55 -0.395 2.262 -10.922 469 H TRP 56 H TRP 56 1.187 1.305 -6.128 470 HA TRP 56 HA TRP 56 3.896 2.006 -5.721 471 HB2 TRP 56 HB2 TRP 56 1.936 2.909 -4.370 472 HB3 TRP 56 HB3 TRP 56 1.911 1.385 -3.487 473 HD1 TRP 56 HD1 TRP 56 3.985 4.599 -3.886 474 HE1 TRP 56 HE1 TRP 56 5.644 4.786 -1.939 475 HE3 TRP 56 HE3 TRP 56 3.313 -0.013 -1.743 476 HZ2 TRP 56 HZ2 TRP 56 6.561 3.234 0.210 477 HZ3 TRP 56 HZ3 TRP 56 4.624 -0.581 0.262 478 HH2 TRP 56 HH2 TRP 56 6.216 1.007 1.220 479 H PHE 57 H PHE 57 2.052 -0.793 -4.377 480 HA PHE 57 HA PHE 57 4.267 -2.040 -3.105 481 HB2 PHE 57 HB2 PHE 57 1.479 -2.974 -3.843 482 HB3 PHE 57 HB3 PHE 57 2.640 -4.127 -3.196 483 HD1 PHE 57 HD2 PHE 57 0.905 -0.902 -2.397 484 HD2 PHE 57 HD1 PHE 57 3.000 -4.293 -0.871 485 HE1 PHE 57 HE2 PHE 57 0.312 -0.243 -0.114 486 HE2 PHE 57 HE1 PHE 57 2.394 -3.628 1.409 487 HZ PHE 57 HZ PHE 57 1.053 -1.604 1.791 488 H GLN 58 H GLN 58 2.969 -2.486 -6.392 489 HA GLN 58 HA GLN 58 4.455 -4.829 -7.081 490 HB2 GLN 58 HB2 GLN 58 3.170 -2.656 -8.784 491 HB3 GLN 58 HB3 GLN 58 4.020 -4.017 -9.504 492 HG2 GLN 58 HG2 GLN 58 1.581 -4.230 -7.714 493 HG3 GLN 58 HG3 GLN 58 1.570 -4.311 -9.474 494 HE21 GLN 58 HE21 GLN 58 2.322 -6.012 -6.552 495 HE22 GLN 58 HE22 GLN 58 2.604 -7.553 -7.272 496 H ASN 59 H ASN 59 5.014 -1.368 -7.722 497 HA ASN 59 HA ASN 59 7.533 -1.684 -9.028 498 HB2 ASN 59 HB2 ASN 59 5.845 0.324 -9.087 499 HB3 ASN 59 HB3 ASN 59 6.647 0.869 -7.622 500 HD21 ASN 59 HD21 ASN 59 6.506 2.188 -10.181 501 HD22 ASN 59 HD22 ASN 59 8.124 2.399 -10.737 502 H ARG 60 H ARG 60 6.560 -1.151 -5.670 503 HA ARG 60 HA ARG 60 9.112 -0.557 -4.547 504 HB2 ARG 60 HB2 ARG 60 6.820 -0.102 -3.491 505 HB3 ARG 60 HB3 ARG 60 6.745 -1.809 -3.082 506 HG2 ARG 60 HG2 ARG 60 7.454 -0.599 -1.136 507 HG3 ARG 60 HG3 ARG 60 8.839 -1.521 -1.728 508 HD2 ARG 60 HD2 ARG 60 9.754 0.513 -2.770 509 HD3 ARG 60 HD3 ARG 60 8.340 1.435 -2.240 510 HE ARG 60 HE ARG 60 9.943 0.116 -0.180 511 HH11 ARG 60 HH11 ARG 60 9.146 3.109 -1.741 512 HH12 ARG 60 HH12 ARG 60 9.869 4.063 -0.500 513 HH21 ARG 60 HH21 ARG 60 10.853 1.348 1.366 514 HH22 ARG 60 HH22 ARG 60 10.818 3.070 1.252 515 H ARG 61 H ARG 61 7.301 -3.601 -4.991 516 HA ARG 61 HA ARG 61 9.271 -5.307 -3.774 517 HB2 ARG 61 HB2 ARG 61 6.767 -5.784 -5.388 518 HB3 ARG 61 HB3 ARG 61 7.899 -7.118 -5.192 519 HG2 ARG 61 HG2 ARG 61 7.683 -7.045 -2.781 520 HG3 ARG 61 HG3 ARG 61 6.705 -5.580 -2.863 521 HD2 ARG 61 HD2 ARG 61 5.810 -8.164 -4.174 522 HD3 ARG 61 HD3 ARG 61 5.486 -7.817 -2.474 523 HE ARG 61 HE ARG 61 4.527 -5.621 -3.702 524 HH11 ARG 61 HH11 ARG 61 4.021 -8.940 -4.493 525 HH12 ARG 61 HH12 ARG 61 2.346 -8.710 -4.853 526 HH21 ARG 61 HH21 ARG 61 2.395 -5.345 -4.191 527 HH22 ARG 61 HH22 ARG 61 1.436 -6.691 -4.690 528 H ALA 62 H ALA 62 8.790 -4.093 -7.049 529 HA ALA 62 HA ALA 62 10.765 -5.691 -8.356 530 HB1 ALA 62 HB1 ALA 62 9.041 -4.433 -9.589 531 HB2 ALA 62 HB2 ALA 62 10.662 -3.998 -10.137 532 HB3 ALA 62 HB3 ALA 62 9.766 -2.910 -9.067 533 H LYS 63 H LYS 63 10.922 -2.716 -6.466 534 HA LYS 63 HA LYS 63 13.780 -2.292 -6.834 535 HB2 LYS 63 HB2 LYS 63 11.844 -1.048 -4.836 536 HB3 LYS 63 HB3 LYS 63 13.478 -0.482 -5.171 537 HG2 LYS 63 HG2 LYS 63 12.845 0.193 -7.417 538 HG3 LYS 63 HG3 LYS 63 11.234 -0.511 -7.222 539 HD2 LYS 63 HD2 LYS 63 10.807 1.117 -5.357 540 HD3 LYS 63 HD3 LYS 63 12.383 1.849 -5.681 541 HE2 LYS 63 HE2 LYS 63 10.023 1.742 -7.594 542 HE3 LYS 63 HE3 LYS 63 10.615 3.164 -6.730 543 HZ1 LYS 63 HZ1 LYS 63 11.398 3.177 -8.979 544 HZ2 LYS 63 HZ2 LYS 63 12.082 1.642 -8.815 545 HZ3 LYS 63 HZ3 LYS 63 12.712 2.942 -7.946 546 H TRP 64 H TRP 64 11.690 -3.986 -4.561 547 HA TRP 64 HA TRP 64 13.344 -3.944 -2.255 548 HB2 TRP 64 HB2 TRP 64 10.878 -4.338 -2.203 549 HB3 TRP 64 HB3 TRP 64 11.120 -5.906 -2.963 550 HD1 TRP 64 HD1 TRP 64 11.939 -4.074 0.373 551 HE1 TRP 64 HE1 TRP 64 12.107 -5.846 2.229 552 HE3 TRP 64 HE3 TRP 64 11.449 -8.273 -2.474 553 HZ2 TRP 64 HZ2 TRP 64 12.036 -8.650 2.467 554 HZ3 TRP 64 HZ3 TRP 64 11.511 -10.477 -1.367 555 HH2 TRP 64 HH2 TRP 64 11.797 -10.658 1.062 556 H ARG 65 H ARG 65 12.824 -6.504 -4.734 557 HA ARG 65 HA ARG 65 15.088 -8.070 -3.754 558 HB2 ARG 65 HB2 ARG 65 13.643 -8.412 -6.416 559 HB3 ARG 65 HB3 ARG 65 14.642 -9.594 -5.579 560 HG2 ARG 65 HG2 ARG 65 12.942 -9.737 -3.774 561 HG3 ARG 65 HG3 ARG 65 11.937 -8.568 -4.643 562 HD2 ARG 65 HD2 ARG 65 12.721 -11.359 -5.563 563 HD3 ARG 65 HD3 ARG 65 11.112 -10.805 -5.088 564 HE ARG 65 HE ARG 65 11.998 -9.225 -7.246 565 HH11 ARG 65 HH11 ARG 65 10.910 -12.457 -6.661 566 HH12 ARG 65 HH12 ARG 65 10.470 -12.710 -8.312 567 HH21 ARG 65 HH21 ARG 65 11.417 -9.568 -9.331 568 HH22 ARG 65 HH22 ARG 65 10.760 -11.095 -9.806 569 H LYS 66 H LYS 66 16.877 -8.633 -5.441 570 HA LYS 66 HA LYS 66 18.207 -6.115 -5.929 571 HB2 LYS 66 HB2 LYS 66 19.194 -8.970 -6.281 572 HB3 LYS 66 HB3 LYS 66 20.207 -7.529 -6.408 573 HG2 LYS 66 HG2 LYS 66 19.678 -6.959 -4.054 574 HG3 LYS 66 HG3 LYS 66 18.684 -8.415 -3.933 575 HD2 LYS 66 HD2 LYS 66 20.682 -9.820 -4.301 576 HD3 LYS 66 HD3 LYS 66 21.686 -8.373 -4.472 577 HE2 LYS 66 HE2 LYS 66 21.130 -7.733 -2.136 578 HE3 LYS 66 HE3 LYS 66 20.146 -9.189 -1.976 579 HZ1 LYS 66 HZ1 LYS 66 22.299 -9.481 -0.994 580 HZ2 LYS 66 HZ2 LYS 66 23.071 -9.098 -2.443 581 HZ3 LYS 66 HZ3 LYS 66 22.144 -10.509 -2.325 582 H ARG 67 H ARG 67 16.800 -5.362 -7.627 583 HA ARG 67 HA ARG 67 17.478 -6.280 -10.354 584 HB2 ARG 67 HB2 ARG 67 15.103 -5.996 -10.130 585 HB3 ARG 67 HB3 ARG 67 15.275 -4.482 -9.252 586 HG2 ARG 67 HG2 ARG 67 15.985 -3.325 -11.296 587 HG3 ARG 67 HG3 ARG 67 15.965 -4.843 -12.197 588 HD2 ARG 67 HD2 ARG 67 13.474 -3.715 -10.870 589 HD3 ARG 67 HD3 ARG 67 13.956 -3.285 -12.514 590 HE ARG 67 HE ARG 67 13.907 -6.086 -12.282 591 HH11 ARG 67 HH11 ARG 67 11.654 -3.462 -12.353 592 HH12 ARG 67 HH12 ARG 67 10.422 -4.406 -13.108 593 HH21 ARG 67 HH21 ARG 67 12.340 -7.252 -13.283 594 HH22 ARG 67 HH22 ARG 67 10.803 -6.534 -13.615 595 H GLU 68 H GLU 68 19.016 -5.205 -11.461 596 HA GLU 68 HA GLU 68 20.175 -2.729 -10.408 597 HB2 GLU 68 HB2 GLU 68 21.680 -4.586 -11.043 598 HB3 GLU 68 HB3 GLU 68 21.065 -4.547 -12.691 599 HG2 GLU 68 HG2 GLU 68 21.997 -2.257 -12.962 600 HG3 GLU 68 HG3 GLU 68 22.645 -2.345 -11.323 601 H ARG 69 H ARG 69 18.995 -3.891 -13.609 602 HA ARG 69 HA ARG 69 18.103 -1.201 -14.362 603 HB2 ARG 69 HB2 ARG 69 20.508 -1.298 -14.974 604 HB3 ARG 69 HB3 ARG 69 20.204 -2.717 -15.971 605 HG2 ARG 69 HG2 ARG 69 18.777 -1.371 -17.470 606 HG3 ARG 69 HG3 ARG 69 19.027 0.050 -16.448 607 HD2 ARG 69 HD2 ARG 69 20.470 0.176 -18.397 608 HD3 ARG 69 HD3 ARG 69 21.464 -0.046 -16.955 609 HE ARG 69 HE ARG 69 20.782 -2.255 -18.821 610 HH11 ARG 69 HH11 ARG 69 23.133 -0.721 -16.786 611 HH12 ARG 69 HH12 ARG 69 24.397 -1.778 -17.307 612 HH21 ARG 69 HH21 ARG 69 22.428 -3.588 -19.440 613 HH22 ARG 69 HH22 ARG 69 24.006 -3.368 -18.765 614 H PHE 70 H PHE 70 18.387 -4.638 -15.203 615 HA PHE 70 HA PHE 70 16.725 -4.743 -17.464 616 HB2 PHE 70 HB2 PHE 70 18.242 -6.569 -16.870 617 HB3 PHE 70 HB3 PHE 70 17.341 -6.886 -15.391 618 HD1 PHE 70 HD2 PHE 70 16.811 -6.742 -19.121 619 HD2 PHE 70 HD1 PHE 70 15.745 -8.626 -15.424 620 HE1 PHE 70 HE2 PHE 70 15.408 -8.354 -20.338 621 HE2 PHE 70 HE1 PHE 70 14.347 -10.232 -16.654 622 HZ PHE 70 HZ PHE 70 14.176 -10.099 -19.109 623 H GLY 71 H GLY 71 14.569 -4.711 -17.742 624 HA2 GLY 71 HA2 GLY 71 12.300 -5.262 -16.900 625 HA3 GLY 71 HA3 GLY 71 12.782 -4.557 -15.364 626 H GLN 72 H GLN 72 13.963 -2.967 -18.182 627 HA GLN 72 HA GLN 72 12.367 -0.605 -17.633 628 HB2 GLN 72 HB2 GLN 72 14.712 -0.225 -18.040 629 HB3 GLN 72 HB3 GLN 72 14.672 -1.117 -19.553 630 HG2 GLN 72 HG2 GLN 72 14.835 1.252 -20.024 631 HG3 GLN 72 HG3 GLN 72 13.262 0.673 -20.557 632 HE21 GLN 72 HE21 GLN 72 14.037 3.386 -20.008 633 HE22 GLN 72 HE22 GLN 72 13.019 3.972 -18.747 634 H MET 73 H MET 73 10.781 0.242 -18.836 635 HA MET 73 HA MET 73 10.253 -0.460 -21.582 636 HB2 MET 73 HB2 MET 73 7.898 -1.238 -21.152 637 HB3 MET 73 HB3 MET 73 9.113 -2.349 -20.544 638 HG2 MET 73 HG2 MET 73 8.740 -1.535 -18.262 639 HG3 MET 73 HG3 MET 73 7.552 -0.374 -18.859 640 HE1 MET 73 HE1 MET 73 5.232 -2.932 -17.001 641 HE2 MET 73 HE2 MET 73 5.652 -1.233 -17.210 642 HE3 MET 73 HE3 MET 73 6.816 -2.348 -16.489 643 H GLN 74 H GLN 74 9.801 1.459 -22.513 644 HA GLN 74 HA GLN 74 8.893 3.739 -20.911 645 HB2 GLN 74 HB2 GLN 74 10.738 4.117 -22.474 646 HB3 GLN 74 HB3 GLN 74 9.763 3.560 -23.828 647 HG2 GLN 74 HG2 GLN 74 8.246 5.493 -23.530 648 HG3 GLN 74 HG3 GLN 74 9.221 6.058 -22.179 649 HE21 GLN 74 HE21 GLN 74 11.249 6.968 -22.613 650 HE22 GLN 74 HE22 GLN 74 11.681 7.527 -24.187 651 H GLN 75 H GLN 75 7.870 2.366 -24.068 652 HA GLN 75 HA GLN 75 5.244 3.639 -23.867 653 HB2 GLN 75 HB2 GLN 75 6.586 3.785 -25.978 654 HB3 GLN 75 HB3 GLN 75 6.460 2.040 -26.160 655 HG2 GLN 75 HG2 GLN 75 4.864 3.142 -27.627 656 HG3 GLN 75 HG3 GLN 75 4.000 2.241 -26.379 657 HE21 GLN 75 HE21 GLN 75 2.130 3.498 -26.613 658 HE22 GLN 75 HE22 GLN 75 2.037 5.133 -26.068 Start of MODEL 7 1 H1 SER 1 H1 SER 1 15.319 41.736 17.508 2 H2 SER 1 H2 SER 1 14.856 40.507 18.574 3 H3 SER 1 H3 SER 1 14.404 40.433 16.946 4 HA SER 1 HA SER 1 16.652 40.183 16.243 5 HB2 SER 1 HB2 SER 1 17.340 40.297 19.207 6 HB3 SER 1 HB3 SER 1 18.485 39.969 17.902 7 HG SER 1 HG SER 1 18.653 42.118 18.315 8 H HIS 2 H HIS 2 15.619 38.304 15.521 9 HA HIS 2 HA HIS 2 16.405 35.835 16.797 10 HB2 HIS 2 HB2 HIS 2 14.258 36.368 18.021 11 HB3 HIS 2 HB3 HIS 2 13.403 36.323 16.486 12 HD1 HIS 2 HD1 HIS 2 14.645 34.163 19.203 13 HD2 HIS 2 HD2 HIS 2 13.248 33.651 15.317 14 HE1 HIS 2 HE1 HIS 2 14.102 31.717 18.998 15 HE2 HIS 2 HE2 HIS 2 13.518 31.405 16.575 16 H MET 3 H MET 3 17.446 35.228 14.938 17 HA MET 3 HA MET 3 15.926 35.054 12.404 18 HB2 MET 3 HB2 MET 3 18.163 34.743 11.308 19 HB3 MET 3 HB3 MET 3 17.980 36.288 12.123 20 HG2 MET 3 HG2 MET 3 19.330 35.476 14.000 21 HG3 MET 3 HG3 MET 3 19.498 33.904 13.216 22 HE1 MET 3 HE1 MET 3 20.915 33.484 11.015 23 HE2 MET 3 HE2 MET 3 21.750 34.753 10.119 24 HE3 MET 3 HE3 MET 3 19.988 34.693 10.125 25 H SER 4 H SER 4 14.978 33.152 12.034 26 HA SER 4 HA SER 4 16.413 30.612 12.564 27 HB2 SER 4 HB2 SER 4 13.467 31.117 13.223 28 HB3 SER 4 HB3 SER 4 14.290 29.556 13.344 29 HG SER 4 HG SER 4 15.661 31.427 14.727 30 H ASN 5 H ASN 5 16.415 29.261 10.852 31 HA ASN 5 HA ASN 5 15.066 29.931 8.387 32 HB2 ASN 5 HB2 ASN 5 16.748 27.496 9.112 33 HB3 ASN 5 HB3 ASN 5 16.197 27.899 7.485 34 HD21 ASN 5 HD21 ASN 5 18.463 28.651 10.001 35 HD22 ASN 5 HD22 ASN 5 19.441 29.728 9.077 36 H LYS 6 H LYS 6 13.762 28.374 7.162 37 HA LYS 6 HA LYS 6 11.749 27.025 8.843 38 HB2 LYS 6 HB2 LYS 6 11.699 28.094 5.993 39 HB3 LYS 6 HB3 LYS 6 10.471 26.975 6.559 40 HG2 LYS 6 HG2 LYS 6 9.649 29.259 6.658 41 HG3 LYS 6 HG3 LYS 6 9.761 28.578 8.279 42 HD2 LYS 6 HD2 LYS 6 10.492 30.926 8.243 43 HD3 LYS 6 HD3 LYS 6 11.822 29.860 8.698 44 HE2 LYS 6 HE2 LYS 6 12.560 31.641 7.158 45 HE3 LYS 6 HE3 LYS 6 12.761 30.053 6.429 46 HZ1 LYS 6 HZ1 LYS 6 10.785 30.397 5.134 47 HZ2 LYS 6 HZ2 LYS 6 11.837 31.701 4.896 48 HZ3 LYS 6 HZ3 LYS 6 10.483 31.877 5.892 49 H GLY 7 H GLY 7 12.658 25.037 9.293 50 HA2 GLY 7 HA2 GLY 7 13.956 23.344 7.333 51 HA3 GLY 7 HA3 GLY 7 13.575 22.937 8.999 52 H LYS 8 H LYS 8 12.065 23.391 5.819 53 HA LYS 8 HA LYS 8 9.922 21.457 6.505 54 HB2 LYS 8 HB2 LYS 8 8.530 22.681 4.815 55 HB3 LYS 8 HB3 LYS 8 8.987 23.668 6.198 56 HG2 LYS 8 HG2 LYS 8 10.694 24.810 4.890 57 HG3 LYS 8 HG3 LYS 8 10.399 23.749 3.509 58 HD2 LYS 8 HD2 LYS 8 8.364 25.687 4.688 59 HD3 LYS 8 HD3 LYS 8 9.351 26.005 3.258 60 HE2 LYS 8 HE2 LYS 8 8.280 24.105 2.092 61 HE3 LYS 8 HE3 LYS 8 7.317 23.758 3.528 62 HZ1 LYS 8 HZ1 LYS 8 6.083 25.001 1.870 63 HZ2 LYS 8 HZ2 LYS 8 7.197 26.267 1.959 64 HZ3 LYS 8 HZ3 LYS 8 6.242 25.888 3.301 65 H LYS 9 H LYS 9 9.219 19.974 4.912 66 HA LYS 9 HA LYS 9 11.161 19.356 2.757 67 HB2 LYS 9 HB2 LYS 9 9.055 17.585 4.073 68 HB3 LYS 9 HB3 LYS 9 10.165 17.071 2.802 69 HG2 LYS 9 HG2 LYS 9 12.081 17.539 4.340 70 HG3 LYS 9 HG3 LYS 9 10.930 17.960 5.609 71 HD2 LYS 9 HD2 LYS 9 11.736 15.682 5.937 72 HD3 LYS 9 HD3 LYS 9 10.018 15.646 5.533 73 HE2 LYS 9 HE2 LYS 9 10.560 15.007 3.220 74 HE3 LYS 9 HE3 LYS 9 12.287 15.117 3.566 75 HZ1 LYS 9 HZ1 LYS 9 12.009 13.331 5.185 76 HZ2 LYS 9 HZ2 LYS 9 11.555 12.848 3.632 77 HZ3 LYS 9 HZ3 LYS 9 10.371 13.205 4.786 78 H ARG 10 H ARG 10 10.578 19.959 0.765 79 HA ARG 10 HA ARG 10 7.813 20.692 0.148 80 HB2 ARG 10 HB2 ARG 10 8.703 21.899 -1.753 81 HB3 ARG 10 HB3 ARG 10 9.664 22.293 -0.332 82 HG2 ARG 10 HG2 ARG 10 11.448 20.759 -1.123 83 HG3 ARG 10 HG3 ARG 10 10.476 20.365 -2.543 84 HD2 ARG 10 HD2 ARG 10 10.547 22.795 -3.187 85 HD3 ARG 10 HD3 ARG 10 11.653 23.079 -1.838 86 HE ARG 10 HE ARG 10 12.826 21.073 -3.323 87 HH11 ARG 10 HH11 ARG 10 11.820 24.323 -4.008 88 HH12 ARG 10 HH12 ARG 10 13.034 24.544 -5.216 89 HH21 ARG 10 HH21 ARG 10 14.355 21.405 -4.879 90 HH22 ARG 10 HH22 ARG 10 14.435 22.916 -5.707 91 H ARG 11 H ARG 11 6.719 20.022 -1.746 92 HA ARG 11 HA ARG 11 7.135 17.282 -2.604 93 HB2 ARG 11 HB2 ARG 11 5.060 19.369 -3.388 94 HB3 ARG 11 HB3 ARG 11 5.051 17.706 -3.965 95 HG2 ARG 11 HG2 ARG 11 4.691 16.884 -1.684 96 HG3 ARG 11 HG3 ARG 11 4.793 18.532 -1.051 97 HD2 ARG 11 HD2 ARG 11 2.691 17.560 -3.034 98 HD3 ARG 11 HD3 ARG 11 2.447 17.693 -1.291 99 HE ARG 11 HE ARG 11 2.687 20.086 -1.478 100 HH11 ARG 11 HH11 ARG 11 2.297 18.526 -4.566 101 HH12 ARG 11 HH12 ARG 11 1.666 19.955 -5.304 102 HH21 ARG 11 HH21 ARG 11 1.892 21.877 -2.474 103 HH22 ARG 11 HH22 ARG 11 1.444 21.815 -4.142 104 H ASN 12 H ASN 12 8.717 16.921 -4.089 105 HA ASN 12 HA ASN 12 9.146 18.793 -6.336 106 HB2 ASN 12 HB2 ASN 12 10.818 16.395 -5.452 107 HB3 ASN 12 HB3 ASN 12 11.251 17.547 -6.717 108 HD21 ASN 12 HD21 ASN 12 10.799 17.120 -3.265 109 HD22 ASN 12 HD22 ASN 12 11.704 18.505 -2.782 110 H ARG 13 H ARG 13 7.520 15.869 -5.671 111 HA ARG 13 HA ARG 13 7.366 15.109 -8.548 112 HB2 ARG 13 HB2 ARG 13 8.397 13.484 -6.683 113 HB3 ARG 13 HB3 ARG 13 6.716 13.142 -6.331 114 HG2 ARG 13 HG2 ARG 13 8.189 12.617 -8.942 115 HG3 ARG 13 HG3 ARG 13 7.649 11.423 -7.771 116 HD2 ARG 13 HD2 ARG 13 6.062 11.229 -9.489 117 HD3 ARG 13 HD3 ARG 13 5.253 12.285 -8.326 118 HE ARG 13 HE ARG 13 6.708 13.724 -10.354 119 HH11 ARG 13 HH11 ARG 13 3.625 12.304 -9.642 120 HH12 ARG 13 HH12 ARG 13 2.817 13.217 -10.862 121 HH21 ARG 13 HH21 ARG 13 5.637 14.889 -11.869 122 HH22 ARG 13 HH22 ARG 13 3.940 14.671 -12.103 123 H THR 14 H THR 14 5.507 14.623 -5.527 124 HA THR 14 HA THR 14 3.343 14.645 -4.947 125 HB THR 14 HB THR 14 2.781 16.448 -7.348 126 HG1 THR 14 HG1 THR 14 4.014 17.773 -6.244 127 HG21 THR 14 HG21 THR 14 0.711 15.515 -6.342 128 HG22 THR 14 HG22 THR 14 0.850 17.244 -6.016 129 HG23 THR 14 HG23 THR 14 1.229 16.077 -4.747 130 H THR 15 H THR 15 3.048 12.465 -5.285 131 HA THR 15 HA THR 15 0.922 11.869 -7.255 132 HB THR 15 HB THR 15 3.181 9.904 -6.576 133 HG1 THR 15 HG1 THR 15 3.714 10.104 -8.790 134 HG21 THR 15 HG21 THR 15 2.110 8.387 -8.214 135 HG22 THR 15 HG22 THR 15 0.789 9.534 -8.434 136 HG23 THR 15 HG23 THR 15 1.013 8.732 -6.875 137 H PHE 16 H PHE 16 2.732 10.503 -4.515 138 HA PHE 16 HA PHE 16 0.234 10.194 -2.948 139 HB2 PHE 16 HB2 PHE 16 2.888 8.782 -2.404 140 HB3 PHE 16 HB3 PHE 16 1.321 8.432 -1.686 141 HD1 PHE 16 HD1 PHE 16 -0.538 7.550 -3.298 142 HD2 PHE 16 HD2 PHE 16 3.623 7.531 -4.278 143 HE1 PHE 16 HE1 PHE 16 -0.940 5.825 -5.001 144 HE2 PHE 16 HE2 PHE 16 3.208 5.808 -5.985 145 HZ PHE 16 HZ PHE 16 0.928 4.952 -6.349 146 H THR 17 H THR 17 0.184 11.221 -0.900 147 HA THR 17 HA THR 17 2.076 13.355 -0.401 148 HB THR 17 HB THR 17 0.714 14.030 1.465 149 HG1 THR 17 HG1 THR 17 -1.092 12.545 2.117 150 HG21 THR 17 HG21 THR 17 -1.568 14.141 0.534 151 HG22 THR 17 HG22 THR 17 -1.175 12.865 -0.618 152 HG23 THR 17 HG23 THR 17 -0.369 14.433 -0.729 153 H SER 18 H SER 18 3.001 13.643 1.899 154 HA SER 18 HA SER 18 4.891 11.692 2.544 155 HB2 SER 18 HB2 SER 18 5.117 14.004 3.340 156 HB3 SER 18 HB3 SER 18 3.701 13.828 4.370 157 HG SER 18 HG SER 18 6.186 12.475 4.636 158 H TYR 19 H TYR 19 1.813 12.377 4.258 159 HA TYR 19 HA TYR 19 1.861 10.333 6.159 160 HB2 TYR 19 HB2 TYR 19 0.267 12.127 6.387 161 HB3 TYR 19 HB3 TYR 19 -0.474 11.753 4.836 162 HD1 TYR 19 HD2 TYR 19 0.015 10.382 8.296 163 HD2 TYR 19 HD1 TYR 19 -2.322 10.230 4.714 164 HE1 TYR 19 HE2 TYR 19 -1.602 8.893 9.403 165 HE2 TYR 19 HE1 TYR 19 -3.921 8.741 5.816 166 HH TYR 19 HH TYR 19 -3.924 7.120 7.735 167 H GLN 20 H GLN 20 0.428 10.265 2.863 168 HA GLN 20 HA GLN 20 -0.790 7.736 2.971 169 HB2 GLN 20 HB2 GLN 20 0.392 9.158 0.545 170 HB3 GLN 20 HB3 GLN 20 -0.636 7.727 0.457 171 HG2 GLN 20 HG2 GLN 20 -2.472 8.996 1.525 172 HG3 GLN 20 HG3 GLN 20 -1.448 10.429 1.560 173 HE21 GLN 20 HE21 GLN 20 -4.005 10.141 0.247 174 HE22 GLN 20 HE22 GLN 20 -3.737 10.428 -1.428 175 H LEU 21 H LEU 21 2.505 8.579 1.850 176 HA LEU 21 HA LEU 21 3.421 5.996 1.214 177 HB2 LEU 21 HB2 LEU 21 4.957 8.437 2.169 178 HB3 LEU 21 HB3 LEU 21 5.734 6.976 1.570 179 HG LEU 21 HG LEU 21 3.897 8.787 -0.054 180 HD11 LEU 21 HD11 LEU 21 6.905 8.426 -0.221 181 HD12 LEU 21 HD12 LEU 21 6.054 9.848 0.392 182 HD13 LEU 21 HD13 LEU 21 5.911 9.407 -1.307 183 HD21 LEU 21 HD21 LEU 21 5.453 6.323 -0.920 184 HD22 LEU 21 HD22 LEU 21 4.555 7.407 -1.989 185 HD23 LEU 21 HD23 LEU 21 3.698 6.458 -0.777 186 H GLU 22 H GLU 22 3.485 7.731 4.342 187 HA GLU 22 HA GLU 22 5.047 5.840 5.790 188 HB2 GLU 22 HB2 GLU 22 2.991 7.808 6.880 189 HB3 GLU 22 HB3 GLU 22 4.229 6.982 7.827 190 HG2 GLU 22 HG2 GLU 22 4.707 9.034 5.645 191 HG3 GLU 22 HG3 GLU 22 4.822 9.325 7.375 192 H GLU 23 H GLU 23 1.626 5.927 5.010 193 HA GLU 23 HA GLU 23 0.900 3.719 6.762 194 HB2 GLU 23 HB2 GLU 23 -0.600 5.010 4.454 195 HB3 GLU 23 HB3 GLU 23 -1.276 3.809 5.551 196 HG2 GLU 23 HG2 GLU 23 -0.269 6.540 6.408 197 HG3 GLU 23 HG3 GLU 23 -1.949 6.182 6.014 198 H LEU 24 H LEU 24 1.642 4.176 3.307 199 HA LEU 24 HA LEU 24 0.896 1.632 2.330 200 HB2 LEU 24 HB2 LEU 24 2.914 3.655 1.275 201 HB3 LEU 24 HB3 LEU 24 2.439 2.216 0.384 202 HG LEU 24 HG LEU 24 0.486 4.406 1.207 203 HD11 LEU 24 HD11 LEU 24 0.536 5.193 -1.109 204 HD12 LEU 24 HD12 LEU 24 1.804 4.026 -1.498 205 HD13 LEU 24 HD13 LEU 24 2.125 5.334 -0.356 206 HD21 LEU 24 HD21 LEU 24 0.153 2.110 -0.748 207 HD22 LEU 24 HD22 LEU 24 -1.042 3.365 -0.402 208 HD23 LEU 24 HD23 LEU 24 -0.574 2.226 0.856 209 H GLU 25 H GLU 25 4.141 2.846 3.351 210 HA GLU 25 HA GLU 25 5.415 0.302 2.971 211 HB2 GLU 25 HB2 GLU 25 7.424 1.339 3.935 212 HB3 GLU 25 HB3 GLU 25 6.715 2.325 2.678 213 HG2 GLU 25 HG2 GLU 25 7.419 3.858 4.305 214 HG3 GLU 25 HG3 GLU 25 5.678 3.734 4.542 215 H LYS 26 H LYS 26 3.825 1.821 5.683 216 HA LYS 26 HA LYS 26 4.670 0.153 7.799 217 HB2 LYS 26 HB2 LYS 26 3.343 2.208 8.153 218 HB3 LYS 26 HB3 LYS 26 1.958 1.474 7.352 219 HG2 LYS 26 HG2 LYS 26 1.886 -0.245 9.184 220 HG3 LYS 26 HG3 LYS 26 3.175 0.636 10.008 221 HD2 LYS 26 HD2 LYS 26 0.475 1.858 9.293 222 HD3 LYS 26 HD3 LYS 26 0.818 1.091 10.841 223 HE2 LYS 26 HE2 LYS 26 1.048 3.442 11.187 224 HE3 LYS 26 HE3 LYS 26 2.685 2.797 11.150 225 HZ1 LYS 26 HZ1 LYS 26 2.935 3.610 8.910 226 HZ2 LYS 26 HZ2 LYS 26 2.443 4.870 9.918 227 HZ3 LYS 26 HZ3 LYS 26 1.330 4.142 8.877 228 H VAL 27 H VAL 27 1.915 -0.212 5.540 229 HA VAL 27 HA VAL 27 1.171 -2.837 6.470 230 HB VAL 27 HB VAL 27 0.320 -1.306 3.971 231 HG11 VAL 27 HG11 VAL 27 -1.616 -2.870 3.847 232 HG12 VAL 27 HG12 VAL 27 -0.912 -3.836 5.147 233 HG13 VAL 27 HG13 VAL 27 -0.081 -3.706 3.596 234 HG21 VAL 27 HG21 VAL 27 -1.740 -0.803 5.256 235 HG22 VAL 27 HG22 VAL 27 -0.309 -0.179 6.077 236 HG23 VAL 27 HG23 VAL 27 -1.081 -1.658 6.655 237 H PHE 28 H PHE 28 3.477 -1.645 4.109 238 HA PHE 28 HA PHE 28 4.018 -4.109 2.776 239 HB2 PHE 28 HB2 PHE 28 4.826 -1.900 1.955 240 HB3 PHE 28 HB3 PHE 28 5.913 -1.782 3.330 241 HD1 PHE 28 HD1 PHE 28 5.156 -4.106 0.453 242 HD2 PHE 28 HD2 PHE 28 8.165 -2.412 2.984 243 HE1 PHE 28 HE1 PHE 28 6.906 -5.194 -0.891 244 HE2 PHE 28 HE2 PHE 28 9.909 -3.508 1.631 245 HZ PHE 28 HZ PHE 28 9.282 -4.898 -0.309 246 H GLN 29 H GLN 29 5.156 -2.734 5.869 247 HA GLN 29 HA GLN 29 7.052 -4.813 6.488 248 HB2 GLN 29 HB2 GLN 29 5.576 -3.057 8.500 249 HB3 GLN 29 HB3 GLN 29 7.090 -3.918 8.758 250 HG2 GLN 29 HG2 GLN 29 6.598 -1.432 7.106 251 HG3 GLN 29 HG3 GLN 29 7.627 -1.616 8.522 252 HE21 GLN 29 HE21 GLN 29 7.372 -2.041 5.097 253 HE22 GLN 29 HE22 GLN 29 9.025 -2.445 4.805 254 H LYS 30 H LYS 30 3.653 -4.237 7.274 255 HA LYS 30 HA LYS 30 3.062 -6.471 8.879 256 HB2 LYS 30 HB2 LYS 30 1.562 -4.568 8.723 257 HB3 LYS 30 HB3 LYS 30 1.366 -4.787 6.992 258 HG2 LYS 30 HG2 LYS 30 0.138 -6.903 7.414 259 HG3 LYS 30 HG3 LYS 30 0.316 -6.638 9.152 260 HD2 LYS 30 HD2 LYS 30 -1.001 -4.554 8.983 261 HD3 LYS 30 HD3 LYS 30 -1.146 -4.772 7.236 262 HE2 LYS 30 HE2 LYS 30 -3.205 -5.465 8.402 263 HE3 LYS 30 HE3 LYS 30 -2.450 -6.838 7.593 264 HZ1 LYS 30 HZ1 LYS 30 -1.551 -7.564 9.700 265 HZ2 LYS 30 HZ2 LYS 30 -3.228 -7.370 9.837 266 HZ3 LYS 30 HZ3 LYS 30 -2.190 -6.207 10.489 267 H THR 31 H THR 31 2.821 -6.023 5.368 268 HA THR 31 HA THR 31 3.137 -8.827 4.762 269 HB THR 31 HB THR 31 0.767 -8.971 5.107 270 HG1 THR 31 HG1 THR 31 0.093 -9.104 2.695 271 HG21 THR 31 HG21 THR 31 0.408 -6.539 3.311 272 HG22 THR 31 HG22 THR 31 0.128 -6.592 5.054 273 HG23 THR 31 HG23 THR 31 -0.899 -7.530 3.966 274 H HIS 32 H HIS 32 4.450 -8.882 3.062 275 HA HIS 32 HA HIS 32 4.968 -6.601 1.388 276 HB2 HIS 32 HB2 HIS 32 5.986 -9.463 1.151 277 HB3 HIS 32 HB3 HIS 32 6.634 -8.071 0.285 278 HD1 HIS 32 HD1 HIS 32 7.029 -9.939 3.392 279 HD2 HIS 32 HD2 HIS 32 7.810 -6.074 2.105 280 HE1 HIS 32 HE1 HIS 32 8.561 -8.957 5.116 281 HE2 HIS 32 HE2 HIS 32 9.164 -6.688 4.216 282 H TYR 33 H TYR 33 2.644 -9.074 1.237 283 HA TYR 33 HA TYR 33 1.850 -8.244 -1.473 284 HB2 TYR 33 HB2 TYR 33 1.112 -10.651 -1.928 285 HB3 TYR 33 HB3 TYR 33 2.842 -10.359 -1.946 286 HD1 TYR 33 HD2 TYR 33 4.251 -11.131 0.042 287 HD2 TYR 33 HD1 TYR 33 0.153 -12.279 -0.398 288 HE1 TYR 33 HE2 TYR 33 4.595 -12.978 1.629 289 HE2 TYR 33 HE1 TYR 33 0.501 -14.127 1.186 290 HH TYR 33 HH TYR 33 3.262 -14.380 3.161 291 HA PRO 34 HA PRO 34 -1.680 -7.743 1.557 292 HB2 PRO 34 HB2 PRO 34 -2.535 -5.294 0.642 293 HB3 PRO 34 HB3 PRO 34 -1.253 -5.498 1.842 294 HG2 PRO 34 HG2 PRO 34 -1.024 -5.005 -1.113 295 HG3 PRO 34 HG3 PRO 34 -0.098 -4.273 0.214 296 HD2 PRO 34 HD2 PRO 34 0.888 -6.306 -1.321 297 HD3 PRO 34 HD3 PRO 34 1.335 -6.102 0.386 298 H ASP 35 H ASP 35 -3.452 -8.853 1.127 299 HA ASP 35 HA ASP 35 -4.596 -9.265 -1.507 300 HB2 ASP 35 HB2 ASP 35 -6.173 -10.754 -0.282 301 HB3 ASP 35 HB3 ASP 35 -4.494 -11.100 0.136 302 H VAL 36 H VAL 36 -7.300 -9.331 -1.225 303 HA VAL 36 HA VAL 36 -8.173 -6.779 -1.780 304 HB VAL 36 HB VAL 36 -9.456 -8.807 -2.378 305 HG11 VAL 36 HG11 VAL 36 -10.353 -8.914 0.537 306 HG12 VAL 36 HG12 VAL 36 -9.308 -10.088 -0.273 307 HG13 VAL 36 HG13 VAL 36 -10.989 -9.915 -0.780 308 HG21 VAL 36 HG21 VAL 36 -11.122 -6.770 -0.843 309 HG22 VAL 36 HG22 VAL 36 -11.739 -7.883 -2.068 310 HG23 VAL 36 HG23 VAL 36 -10.587 -6.624 -2.521 311 H TYR 37 H TYR 37 -8.397 -8.397 1.395 312 HA TYR 37 HA TYR 37 -9.932 -6.359 2.686 313 HB2 TYR 37 HB2 TYR 37 -9.981 -8.697 3.442 314 HB3 TYR 37 HB3 TYR 37 -8.265 -8.645 3.826 315 HD1 TYR 37 HD2 TYR 37 -11.411 -6.757 4.660 316 HD2 TYR 37 HD1 TYR 37 -7.724 -8.369 6.102 317 HE1 TYR 37 HE2 TYR 37 -11.971 -6.015 6.948 318 HE2 TYR 37 HE1 TYR 37 -8.281 -7.631 8.380 319 HH TYR 37 HH TYR 37 -9.683 -5.978 9.495 320 H ALA 38 H ALA 38 -6.459 -7.144 2.640 321 HA ALA 38 HA ALA 38 -5.601 -5.074 4.417 322 HB1 ALA 38 HB1 ALA 38 -4.016 -6.579 2.310 323 HB2 ALA 38 HB2 ALA 38 -4.246 -7.078 3.987 324 HB3 ALA 38 HB3 ALA 38 -3.332 -5.613 3.623 325 H ARG 39 H ARG 39 -6.264 -5.148 0.958 326 HA ARG 39 HA ARG 39 -5.081 -2.607 0.283 327 HB2 ARG 39 HB2 ARG 39 -7.211 -4.263 -1.127 328 HB3 ARG 39 HB3 ARG 39 -6.508 -2.796 -1.799 329 HG2 ARG 39 HG2 ARG 39 -4.965 -5.327 -1.155 330 HG3 ARG 39 HG3 ARG 39 -5.564 -4.876 -2.752 331 HD2 ARG 39 HD2 ARG 39 -4.129 -2.815 -2.638 332 HD3 ARG 39 HD3 ARG 39 -3.462 -3.418 -1.111 333 HE ARG 39 HE ARG 39 -3.126 -5.476 -2.926 334 HH11 ARG 39 HH11 ARG 39 -2.011 -2.227 -2.697 335 HH12 ARG 39 HH12 ARG 39 -0.601 -2.529 -3.634 336 HH21 ARG 39 HH21 ARG 39 -1.315 -5.849 -4.124 337 HH22 ARG 39 HH22 ARG 39 -0.204 -4.564 -4.423 338 H GLU 40 H GLU 40 -8.375 -3.703 1.161 339 HA GLU 40 HA GLU 40 -9.798 -1.303 0.726 340 HB2 GLU 40 HB2 GLU 40 -10.358 -3.613 2.633 341 HB3 GLU 40 HB3 GLU 40 -11.493 -2.289 2.364 342 HG2 GLU 40 HG2 GLU 40 -11.720 -2.918 0.020 343 HG3 GLU 40 HG3 GLU 40 -10.514 -4.187 0.209 344 H GLN 41 H GLN 41 -8.438 -2.619 3.758 345 HA GLN 41 HA GLN 41 -9.100 -0.489 5.471 346 HB2 GLN 41 HB2 GLN 41 -6.780 -2.458 5.666 347 HB3 GLN 41 HB3 GLN 41 -7.320 -1.410 6.976 348 HG2 GLN 41 HG2 GLN 41 -9.063 -3.520 5.668 349 HG3 GLN 41 HG3 GLN 41 -8.107 -3.794 7.120 350 HE21 GLN 41 HE21 GLN 41 -9.987 -4.282 8.310 351 HE22 GLN 41 HE22 GLN 41 -11.114 -3.076 8.801 352 H LEU 42 H LEU 42 -6.037 -1.114 3.723 353 HA LEU 42 HA LEU 42 -4.634 1.192 4.558 354 HB2 LEU 42 HB2 LEU 42 -3.539 -0.796 3.634 355 HB3 LEU 42 HB3 LEU 42 -4.302 -0.530 2.079 356 HG LEU 42 HG LEU 42 -2.938 1.458 1.679 357 HD11 LEU 42 HD11 LEU 42 -2.786 2.347 3.949 358 HD12 LEU 42 HD12 LEU 42 -1.188 2.195 3.229 359 HD13 LEU 42 HD13 LEU 42 -1.729 1.015 4.424 360 HD21 LEU 42 HD21 LEU 42 -1.985 -0.718 1.050 361 HD22 LEU 42 HD22 LEU 42 -1.220 -0.858 2.633 362 HD23 LEU 42 HD23 LEU 42 -0.721 0.416 1.520 363 H ALA 43 H ALA 43 -6.827 0.688 1.812 364 HA ALA 43 HA ALA 43 -6.347 3.095 0.390 365 HB1 ALA 43 HB1 ALA 43 -8.508 2.665 -0.715 366 HB2 ALA 43 HB2 ALA 43 -8.909 1.458 0.514 367 HB3 ALA 43 HB3 ALA 43 -7.562 1.178 -0.591 368 H MET 44 H MET 44 -8.690 2.286 2.953 369 HA MET 44 HA MET 44 -9.940 4.867 3.089 370 HB2 MET 44 HB2 MET 44 -9.900 2.600 5.126 371 HB3 MET 44 HB3 MET 44 -10.953 4.012 5.206 372 HG2 MET 44 HG2 MET 44 -12.024 3.330 3.101 373 HG3 MET 44 HG3 MET 44 -10.975 1.908 3.030 374 HE1 MET 44 HE1 MET 44 -13.023 0.202 2.885 375 HE2 MET 44 HE2 MET 44 -14.104 1.595 2.821 376 HE3 MET 44 HE3 MET 44 -14.423 0.279 3.954 377 H ARG 45 H ARG 45 -7.143 3.420 4.722 378 HA ARG 45 HA ARG 45 -6.708 5.426 6.701 379 HB2 ARG 45 HB2 ARG 45 -4.716 3.561 5.331 380 HB3 ARG 45 HB3 ARG 45 -4.322 4.570 6.720 381 HG2 ARG 45 HG2 ARG 45 -6.399 2.357 6.712 382 HG3 ARG 45 HG3 ARG 45 -4.751 2.197 7.313 383 HD2 ARG 45 HD2 ARG 45 -5.198 3.852 9.065 384 HD3 ARG 45 HD3 ARG 45 -6.820 4.122 8.429 385 HE ARG 45 HE ARG 45 -7.471 1.968 9.190 386 HH11 ARG 45 HH11 ARG 45 -4.262 2.780 10.251 387 HH12 ARG 45 HH12 ARG 45 -4.274 1.605 11.514 388 HH21 ARG 45 HH21 ARG 45 -7.449 0.480 10.831 389 HH22 ARG 45 HH22 ARG 45 -6.061 0.327 11.845 390 H THR 46 H THR 46 -5.614 5.088 3.331 391 HA THR 46 HA THR 46 -3.905 7.477 3.480 392 HB THR 46 HB THR 46 -3.140 6.786 1.194 393 HG1 THR 46 HG1 THR 46 -4.232 4.274 1.287 394 HG21 THR 46 HG21 THR 46 -3.007 4.534 3.230 395 HG22 THR 46 HG22 THR 46 -1.940 5.943 3.189 396 HG23 THR 46 HG23 THR 46 -1.917 4.777 1.862 397 H ASP 47 H ASP 47 -7.114 6.822 2.472 398 HA ASP 47 HA ASP 47 -8.704 7.891 1.268 399 HB2 ASP 47 HB2 ASP 47 -7.941 10.025 2.186 400 HB3 ASP 47 HB3 ASP 47 -6.635 10.123 1.021 401 H LEU 48 H LEU 48 -6.166 6.377 0.018 402 HA LEU 48 HA LEU 48 -6.275 7.187 -2.790 403 HB2 LEU 48 HB2 LEU 48 -4.702 5.046 -1.318 404 HB3 LEU 48 HB3 LEU 48 -4.615 5.246 -3.062 405 HG LEU 48 HG LEU 48 -3.827 7.413 -1.072 406 HD11 LEU 48 HD11 LEU 48 -2.336 5.481 -0.835 407 HD12 LEU 48 HD12 LEU 48 -1.497 6.840 -1.576 408 HD13 LEU 48 HD13 LEU 48 -2.024 5.481 -2.575 409 HD21 LEU 48 HD21 LEU 48 -3.375 7.198 -4.075 410 HD22 LEU 48 HD22 LEU 48 -2.760 8.484 -3.030 411 HD23 LEU 48 HD23 LEU 48 -4.497 8.296 -3.267 412 H THR 49 H THR 49 -6.593 5.625 -4.499 413 HA THR 49 HA THR 49 -8.722 3.666 -4.063 414 HB THR 49 HB THR 49 -7.344 4.421 -6.691 415 HG1 THR 49 HG1 THR 49 -9.623 5.584 -5.402 416 HG21 THR 49 HG21 THR 49 -8.695 2.332 -6.785 417 HG22 THR 49 HG22 THR 49 -9.427 3.619 -7.746 418 HG23 THR 49 HG23 THR 49 -10.093 3.209 -6.162 419 H GLU 50 H GLU 50 -8.493 1.429 -4.670 420 HA GLU 50 HA GLU 50 -6.220 0.080 -3.811 421 HB2 GLU 50 HB2 GLU 50 -8.585 -0.818 -4.129 422 HB3 GLU 50 HB3 GLU 50 -8.222 -0.998 -5.836 423 HG2 GLU 50 HG2 GLU 50 -6.670 -2.413 -3.647 424 HG3 GLU 50 HG3 GLU 50 -8.103 -3.098 -4.396 425 H ALA 51 H ALA 51 -7.049 1.091 -7.123 426 HA ALA 51 HA ALA 51 -5.017 -0.116 -8.615 427 HB1 ALA 51 HB1 ALA 51 -6.917 1.097 -9.594 428 HB2 ALA 51 HB2 ALA 51 -5.387 1.664 -10.263 429 HB3 ALA 51 HB3 ALA 51 -6.234 2.628 -9.043 430 H ARG 52 H ARG 52 -4.901 3.111 -7.012 431 HA ARG 52 HA ARG 52 -2.228 3.765 -7.750 432 HB2 ARG 52 HB2 ARG 52 -4.151 4.848 -5.683 433 HB3 ARG 52 HB3 ARG 52 -2.472 5.359 -5.624 434 HG2 ARG 52 HG2 ARG 52 -3.759 7.009 -6.817 435 HG3 ARG 52 HG3 ARG 52 -2.649 6.222 -7.938 436 HD2 ARG 52 HD2 ARG 52 -4.527 4.819 -8.771 437 HD3 ARG 52 HD3 ARG 52 -5.626 5.660 -7.668 438 HE ARG 52 HE ARG 52 -4.125 7.105 -9.777 439 HH11 ARG 52 HH11 ARG 52 -7.171 6.393 -8.271 440 HH12 ARG 52 HH12 ARG 52 -8.026 7.516 -9.259 441 HH21 ARG 52 HH21 ARG 52 -5.253 8.539 -10.993 442 HH22 ARG 52 HH22 ARG 52 -6.959 8.720 -10.770 443 H VAL 53 H VAL 53 -3.585 2.246 -4.854 444 HA VAL 53 HA VAL 53 -1.205 1.938 -3.338 445 HB VAL 53 HB VAL 53 -3.744 0.226 -3.296 446 HG11 VAL 53 HG11 VAL 53 -1.877 -0.906 -2.140 447 HG12 VAL 53 HG12 VAL 53 -3.106 -0.390 -0.987 448 HG13 VAL 53 HG13 VAL 53 -1.607 0.528 -1.146 449 HG21 VAL 53 HG21 VAL 53 -4.488 1.677 -1.431 450 HG22 VAL 53 HG22 VAL 53 -4.247 2.612 -2.909 451 HG23 VAL 53 HG23 VAL 53 -3.040 2.674 -1.621 452 H GLN 54 H GLN 54 -2.692 -0.023 -5.867 453 HA GLN 54 HA GLN 54 -1.223 -2.435 -5.546 454 HB2 GLN 54 HB2 GLN 54 -3.454 -1.879 -6.901 455 HB3 GLN 54 HB3 GLN 54 -2.354 -1.583 -8.233 456 HG2 GLN 54 HG2 GLN 54 -2.667 -4.197 -6.716 457 HG3 GLN 54 HG3 GLN 54 -3.352 -3.836 -8.293 458 HE21 GLN 54 HE21 GLN 54 -0.532 -4.816 -6.580 459 HE22 GLN 54 HE22 GLN 54 0.454 -5.127 -7.953 460 H VAL 55 H VAL 55 -0.897 0.255 -7.865 461 HA VAL 55 HA VAL 55 1.423 -0.563 -9.219 462 HB VAL 55 HB VAL 55 0.448 2.288 -8.715 463 HG11 VAL 55 HG11 VAL 55 2.406 1.276 -10.824 464 HG12 VAL 55 HG12 VAL 55 2.797 2.323 -9.457 465 HG13 VAL 55 HG13 VAL 55 1.748 2.915 -10.745 466 HG21 VAL 55 HG21 VAL 55 -1.255 0.891 -9.827 467 HG22 VAL 55 HG22 VAL 55 -0.088 0.427 -11.067 468 HG23 VAL 55 HG23 VAL 55 -0.621 2.105 -10.941 469 H TRP 56 H TRP 56 1.101 1.386 -6.230 470 HA TRP 56 HA TRP 56 3.773 2.135 -5.869 471 HB2 TRP 56 HB2 TRP 56 1.859 2.974 -4.462 472 HB3 TRP 56 HB3 TRP 56 1.822 1.422 -3.631 473 HD1 TRP 56 HD1 TRP 56 3.913 4.630 -3.898 474 HE1 TRP 56 HE1 TRP 56 5.575 4.719 -1.946 475 HE3 TRP 56 HE3 TRP 56 3.188 -0.054 -1.950 476 HZ2 TRP 56 HZ2 TRP 56 6.476 3.071 0.118 477 HZ3 TRP 56 HZ3 TRP 56 4.508 -0.722 0.019 478 HH2 TRP 56 HH2 TRP 56 6.122 0.812 1.028 479 H PHE 57 H PHE 57 2.105 -0.777 -4.597 480 HA PHE 57 HA PHE 57 4.403 -1.986 -3.449 481 HB2 PHE 57 HB2 PHE 57 1.650 -3.035 -4.159 482 HB3 PHE 57 HB3 PHE 57 2.898 -4.149 -3.609 483 HD1 PHE 57 HD1 PHE 57 3.749 -4.052 -1.300 484 HD2 PHE 57 HD2 PHE 57 0.643 -1.421 -2.585 485 HE1 PHE 57 HE1 PHE 57 3.245 -3.489 1.036 486 HE2 PHE 57 HE2 PHE 57 0.151 -0.856 -0.249 487 HZ PHE 57 HZ PHE 57 1.450 -1.888 1.570 488 H GLN 58 H GLN 58 3.176 -2.093 -6.786 489 HA GLN 58 HA GLN 58 4.744 -4.272 -7.712 490 HB2 GLN 58 HB2 GLN 58 3.759 -1.821 -9.226 491 HB3 GLN 58 HB3 GLN 58 4.483 -3.232 -9.990 492 HG2 GLN 58 HG2 GLN 58 1.932 -3.296 -8.355 493 HG3 GLN 58 HG3 GLN 58 1.991 -3.136 -10.107 494 HE21 GLN 58 HE21 GLN 58 0.793 -5.038 -10.389 495 HE22 GLN 58 HE22 GLN 58 1.476 -6.604 -10.129 496 H ASN 59 H ASN 59 5.442 -0.742 -7.747 497 HA ASN 59 HA ASN 59 8.111 -0.929 -8.733 498 HB2 ASN 59 HB2 ASN 59 6.748 1.266 -7.114 499 HB3 ASN 59 HB3 ASN 59 8.366 1.424 -7.798 500 HD21 ASN 59 HD21 ASN 59 4.972 1.438 -8.495 501 HD22 ASN 59 HD22 ASN 59 5.114 1.906 -10.148 502 H ARG 60 H ARG 60 6.776 -0.942 -5.456 503 HA ARG 60 HA ARG 60 9.175 -0.574 -3.996 504 HB2 ARG 60 HB2 ARG 60 6.876 -0.214 -3.080 505 HB3 ARG 60 HB3 ARG 60 6.604 -1.950 -3.116 506 HG2 ARG 60 HG2 ARG 60 7.119 -1.267 -0.855 507 HG3 ARG 60 HG3 ARG 60 8.443 -2.258 -1.471 508 HD2 ARG 60 HD2 ARG 60 9.722 -0.168 -1.966 509 HD3 ARG 60 HD3 ARG 60 8.405 0.771 -1.248 510 HE ARG 60 HE ARG 60 9.336 -1.174 0.586 511 HH11 ARG 60 HH11 ARG 60 10.270 1.870 -0.758 512 HH12 ARG 60 HH12 ARG 60 11.272 2.272 0.588 513 HH21 ARG 60 HH21 ARG 60 10.642 -0.629 2.303 514 HH22 ARG 60 HH22 ARG 60 11.484 0.879 2.290 515 H ARG 61 H ARG 61 7.423 -3.550 -4.920 516 HA ARG 61 HA ARG 61 9.293 -5.359 -3.668 517 HB2 ARG 61 HB2 ARG 61 7.089 -5.901 -5.698 518 HB3 ARG 61 HB3 ARG 61 7.969 -7.142 -4.800 519 HG2 ARG 61 HG2 ARG 61 7.067 -6.237 -2.680 520 HG3 ARG 61 HG3 ARG 61 6.186 -5.002 -3.583 521 HD2 ARG 61 HD2 ARG 61 4.647 -6.765 -3.036 522 HD3 ARG 61 HD3 ARG 61 4.957 -6.847 -4.774 523 HE ARG 61 HE ARG 61 6.747 -8.553 -3.417 524 HH11 ARG 61 HH11 ARG 61 3.385 -8.404 -4.255 525 HH12 ARG 61 HH12 ARG 61 3.205 -10.123 -4.211 526 HH21 ARG 61 HH21 ARG 61 6.478 -10.726 -3.369 527 HH22 ARG 61 HH22 ARG 61 4.934 -11.419 -3.714 528 H ALA 62 H ALA 62 8.979 -3.950 -6.870 529 HA ALA 62 HA ALA 62 10.844 -5.598 -8.266 530 HB1 ALA 62 HB1 ALA 62 9.256 -4.118 -9.424 531 HB2 ALA 62 HB2 ALA 62 10.914 -3.774 -9.916 532 HB3 ALA 62 HB3 ALA 62 10.089 -2.699 -8.781 533 H LYS 63 H LYS 63 11.207 -2.616 -6.359 534 HA LYS 63 HA LYS 63 14.059 -2.351 -6.648 535 HB2 LYS 63 HB2 LYS 63 12.132 -1.189 -4.591 536 HB3 LYS 63 HB3 LYS 63 13.833 -0.738 -4.721 537 HG2 LYS 63 HG2 LYS 63 13.454 0.194 -6.950 538 HG3 LYS 63 HG3 LYS 63 11.766 -0.336 -6.916 539 HD2 LYS 63 HD2 LYS 63 11.341 1.172 -4.991 540 HD3 LYS 63 HD3 LYS 63 13.029 1.692 -5.025 541 HE2 LYS 63 HE2 LYS 63 11.006 2.119 -7.256 542 HE3 LYS 63 HE3 LYS 63 11.546 3.341 -6.104 543 HZ1 LYS 63 HZ1 LYS 63 12.729 3.601 -8.158 544 HZ2 LYS 63 HZ2 LYS 63 13.218 1.987 -8.154 545 HZ3 LYS 63 HZ3 LYS 63 13.819 3.052 -6.986 546 H TRP 64 H TRP 64 11.963 -4.163 -4.486 547 HA TRP 64 HA TRP 64 13.891 -4.806 -2.472 548 HB2 TRP 64 HB2 TRP 64 11.433 -4.969 -2.099 549 HB3 TRP 64 HB3 TRP 64 11.339 -6.284 -3.264 550 HD1 TRP 64 HD1 TRP 64 12.687 -5.519 0.275 551 HE1 TRP 64 HE1 TRP 64 12.975 -7.739 1.534 552 HE3 TRP 64 HE3 TRP 64 11.659 -8.764 -3.532 553 HZ2 TRP 64 HZ2 TRP 64 12.801 -10.498 1.002 554 HZ3 TRP 64 HZ3 TRP 64 11.740 -11.188 -3.078 555 HH2 TRP 64 HH2 TRP 64 12.301 -12.033 -0.853 556 H ARG 65 H ARG 65 12.689 -6.595 -5.335 557 HA ARG 65 HA ARG 65 14.453 -8.836 -5.064 558 HB2 ARG 65 HB2 ARG 65 12.827 -7.856 -7.452 559 HB3 ARG 65 HB3 ARG 65 13.657 -9.410 -7.374 560 HG2 ARG 65 HG2 ARG 65 12.203 -10.155 -5.566 561 HG3 ARG 65 HG3 ARG 65 11.441 -8.564 -5.471 562 HD2 ARG 65 HD2 ARG 65 11.301 -10.462 -7.844 563 HD3 ARG 65 HD3 ARG 65 10.021 -10.205 -6.655 564 HE ARG 65 HE ARG 65 10.987 -8.157 -8.570 565 HH11 ARG 65 HH11 ARG 65 8.425 -9.363 -6.577 566 HH12 ARG 65 HH12 ARG 65 7.245 -8.335 -7.308 567 HH21 ARG 65 HH21 ARG 65 9.466 -6.868 -9.480 568 HH22 ARG 65 HH22 ARG 65 7.823 -6.950 -8.948 569 H LYS 66 H LYS 66 16.604 -8.832 -5.469 570 HA LYS 66 HA LYS 66 17.941 -6.550 -6.569 571 HB2 LYS 66 HB2 LYS 66 19.057 -9.254 -5.720 572 HB3 LYS 66 HB3 LYS 66 20.039 -7.853 -6.149 573 HG2 LYS 66 HG2 LYS 66 18.956 -6.592 -4.258 574 HG3 LYS 66 HG3 LYS 66 18.133 -8.084 -3.790 575 HD2 LYS 66 HD2 LYS 66 20.319 -9.174 -3.396 576 HD3 LYS 66 HD3 LYS 66 21.158 -7.707 -3.914 577 HE2 LYS 66 HE2 LYS 66 21.135 -7.848 -1.470 578 HE3 LYS 66 HE3 LYS 66 20.159 -6.477 -1.993 579 HZ1 LYS 66 HZ1 LYS 66 19.110 -7.765 -0.218 580 HZ2 LYS 66 HZ2 LYS 66 19.077 -9.135 -1.206 581 HZ3 LYS 66 HZ3 LYS 66 18.171 -7.771 -1.622 582 H ARG 67 H ARG 67 18.466 -6.119 -8.588 583 HA ARG 67 HA ARG 67 18.844 -6.142 -10.798 584 HB2 ARG 67 HB2 ARG 67 19.984 -8.907 -10.250 585 HB3 ARG 67 HB3 ARG 67 20.119 -8.087 -11.797 586 HG2 ARG 67 HG2 ARG 67 22.193 -7.684 -10.785 587 HG3 ARG 67 HG3 ARG 67 21.307 -6.186 -10.507 588 HD2 ARG 67 HD2 ARG 67 22.589 -6.919 -8.514 589 HD3 ARG 67 HD3 ARG 67 20.855 -6.853 -8.194 590 HE ARG 67 HE ARG 67 20.913 -9.357 -8.650 591 HH11 ARG 67 HH11 ARG 67 23.622 -7.726 -7.213 592 HH12 ARG 67 HH12 ARG 67 24.207 -9.171 -6.468 593 HH21 ARG 67 HH21 ARG 67 21.705 -11.166 -7.702 594 HH22 ARG 67 HH22 ARG 67 23.141 -11.088 -6.743 595 H GLU 68 H GLU 68 16.233 -7.175 -9.814 596 HA GLU 68 HA GLU 68 15.253 -9.127 -11.694 597 HB2 GLU 68 HB2 GLU 68 14.364 -8.740 -9.375 598 HB3 GLU 68 HB3 GLU 68 13.721 -7.195 -9.897 599 HG2 GLU 68 HG2 GLU 68 12.849 -9.710 -11.312 600 HG3 GLU 68 HG3 GLU 68 12.191 -9.350 -9.722 601 H ARG 69 H ARG 69 13.539 -8.681 -13.291 602 HA ARG 69 HA ARG 69 12.759 -7.795 -15.217 603 HB2 ARG 69 HB2 ARG 69 12.107 -5.742 -13.949 604 HB3 ARG 69 HB3 ARG 69 13.715 -5.076 -14.213 605 HG2 ARG 69 HG2 ARG 69 13.054 -5.466 -16.792 606 HG3 ARG 69 HG3 ARG 69 11.420 -5.352 -16.140 607 HD2 ARG 69 HD2 ARG 69 13.613 -3.257 -15.915 608 HD3 ARG 69 HD3 ARG 69 12.189 -3.180 -16.956 609 HE ARG 69 HE ARG 69 11.346 -3.452 -14.281 610 HH11 ARG 69 HH11 ARG 69 12.801 -1.101 -16.362 611 HH12 ARG 69 HH12 ARG 69 12.220 0.232 -15.431 612 HH21 ARG 69 HH21 ARG 69 10.644 -1.704 -13.093 613 HH22 ARG 69 HH22 ARG 69 11.039 -0.103 -13.609 614 H PHE 70 H PHE 70 13.751 -8.283 -17.078 615 HA PHE 70 HA PHE 70 16.376 -7.125 -17.764 616 HB2 PHE 70 HB2 PHE 70 17.133 -9.369 -18.637 617 HB3 PHE 70 HB3 PHE 70 16.960 -9.303 -16.890 618 HD1 PHE 70 HD1 PHE 70 14.961 -10.405 -15.790 619 HD2 PHE 70 HD2 PHE 70 15.852 -10.963 -19.938 620 HE1 PHE 70 HE1 PHE 70 13.535 -12.405 -15.836 621 HE2 PHE 70 HE2 PHE 70 14.418 -12.960 -19.971 622 HZ PHE 70 HZ PHE 70 13.262 -13.684 -17.922 623 H GLY 71 H GLY 71 16.857 -7.091 -20.047 624 HA2 GLY 71 HA2 GLY 71 14.526 -6.346 -21.591 625 HA3 GLY 71 HA3 GLY 71 16.202 -6.191 -22.073 626 H GLN 72 H GLN 72 13.669 -8.660 -21.607 627 HA GLN 72 HA GLN 72 14.831 -10.411 -23.654 628 HB2 GLN 72 HB2 GLN 72 13.973 -11.414 -21.564 629 HB3 GLN 72 HB3 GLN 72 12.382 -10.731 -21.866 630 HG2 GLN 72 HG2 GLN 72 12.195 -12.154 -23.907 631 HG3 GLN 72 HG3 GLN 72 13.758 -12.872 -23.519 632 HE21 GLN 72 HE21 GLN 72 12.827 -14.950 -23.364 633 HE22 GLN 72 HE22 GLN 72 11.829 -15.417 -22.034 634 H MET 73 H MET 73 14.360 -9.905 -25.727 635 HA MET 73 HA MET 73 11.596 -9.948 -26.607 636 HB2 MET 73 HB2 MET 73 12.352 -7.441 -26.235 637 HB3 MET 73 HB3 MET 73 13.282 -7.667 -27.711 638 HG2 MET 73 HG2 MET 73 10.275 -7.942 -27.421 639 HG3 MET 73 HG3 MET 73 11.135 -6.598 -28.173 640 HE1 MET 73 HE1 MET 73 9.322 -8.418 -31.190 641 HE2 MET 73 HE2 MET 73 9.428 -6.932 -30.245 642 HE3 MET 73 HE3 MET 73 8.704 -8.379 -29.537 643 H GLN 74 H GLN 74 12.733 -12.027 -27.038 644 HA GLN 74 HA GLN 74 14.473 -12.075 -29.425 645 HB2 GLN 74 HB2 GLN 74 13.882 -14.155 -27.282 646 HB3 GLN 74 HB3 GLN 74 14.703 -14.569 -28.777 647 HG2 GLN 74 HG2 GLN 74 16.335 -14.298 -27.039 648 HG3 GLN 74 HG3 GLN 74 16.528 -12.994 -28.199 649 HE21 GLN 74 HE21 GLN 74 16.151 -10.873 -27.533 650 HE22 GLN 74 HE22 GLN 74 15.971 -10.445 -25.869 651 H GLN 75 H GLN 75 13.051 -11.821 -31.120 652 HA GLN 75 HA GLN 75 10.873 -13.798 -31.481 653 HB2 GLN 75 HB2 GLN 75 10.238 -11.409 -31.724 654 HB3 GLN 75 HB3 GLN 75 11.439 -11.205 -32.995 655 HG2 GLN 75 HG2 GLN 75 10.183 -12.840 -34.396 656 HG3 GLN 75 HG3 GLN 75 8.964 -12.959 -33.135 657 HE21 GLN 75 HE21 GLN 75 7.573 -11.186 -32.792 658 HE22 GLN 75 HE22 GLN 75 7.374 -9.942 -33.973 Start of MODEL 8 1 H1 SER 1 H1 SER 1 1.068 25.868 -1.759 2 H2 SER 1 H2 SER 1 2.166 25.084 -0.737 3 H3 SER 1 H3 SER 1 0.917 24.208 -1.466 4 HA SER 1 HA SER 1 3.006 23.771 -2.560 5 HB2 SER 1 HB2 SER 1 2.272 24.282 -4.896 6 HB3 SER 1 HB3 SER 1 0.938 23.685 -3.910 7 HG SER 1 HG SER 1 0.378 25.526 -5.176 8 H HIS 2 H HIS 2 4.975 24.504 -3.341 9 HA HIS 2 HA HIS 2 5.486 27.189 -4.200 10 HB2 HIS 2 HB2 HIS 2 5.438 27.593 -1.727 11 HB3 HIS 2 HB3 HIS 2 6.710 26.393 -1.508 12 HD1 HIS 2 HD1 HIS 2 6.246 29.623 -3.507 13 HD2 HIS 2 HD2 HIS 2 9.174 27.565 -1.402 14 HE1 HIS 2 HE1 HIS 2 8.285 31.066 -3.630 15 HE2 HIS 2 HE2 HIS 2 9.952 29.915 -2.137 16 H MET 3 H MET 3 6.674 23.991 -3.336 17 HA MET 3 HA MET 3 9.366 24.235 -4.201 18 HB2 MET 3 HB2 MET 3 9.456 21.783 -4.114 19 HB3 MET 3 HB3 MET 3 8.582 22.408 -2.725 20 HG2 MET 3 HG2 MET 3 6.449 21.818 -3.805 21 HG3 MET 3 HG3 MET 3 7.334 21.172 -5.188 22 HE1 MET 3 HE1 MET 3 6.027 17.882 -3.478 23 HE2 MET 3 HE2 MET 3 6.126 18.796 -4.983 24 HE3 MET 3 HE3 MET 3 5.163 19.411 -3.638 25 H SER 4 H SER 4 10.378 23.866 -6.116 26 HA SER 4 HA SER 4 8.779 23.794 -8.577 27 HB2 SER 4 HB2 SER 4 11.775 24.245 -8.229 28 HB3 SER 4 HB3 SER 4 10.847 24.471 -9.719 29 HG SER 4 HG SER 4 9.811 26.203 -8.791 30 H ASN 5 H ASN 5 11.324 21.966 -6.917 31 HA ASN 5 HA ASN 5 12.063 19.847 -6.983 32 HB2 ASN 5 HB2 ASN 5 9.713 19.207 -6.743 33 HB3 ASN 5 HB3 ASN 5 9.457 19.325 -8.475 34 HD21 ASN 5 HD21 ASN 5 10.216 17.676 -9.803 35 HD22 ASN 5 HD22 ASN 5 10.713 16.138 -9.196 36 H LYS 6 H LYS 6 13.935 19.911 -8.144 37 HA LYS 6 HA LYS 6 14.111 20.090 -11.011 38 HB2 LYS 6 HB2 LYS 6 15.852 20.791 -9.135 39 HB3 LYS 6 HB3 LYS 6 16.400 19.130 -9.257 40 HG2 LYS 6 HG2 LYS 6 16.341 21.078 -11.601 41 HG3 LYS 6 HG3 LYS 6 17.727 20.852 -10.550 42 HD2 LYS 6 HD2 LYS 6 18.384 19.418 -12.213 43 HD3 LYS 6 HD3 LYS 6 17.389 18.273 -11.316 44 HE2 LYS 6 HE2 LYS 6 16.941 18.150 -13.737 45 HE3 LYS 6 HE3 LYS 6 15.508 18.694 -12.868 46 HZ1 LYS 6 HZ1 LYS 6 17.406 20.532 -14.218 47 HZ2 LYS 6 HZ2 LYS 6 15.898 20.924 -13.565 48 HZ3 LYS 6 HZ3 LYS 6 15.997 19.944 -14.937 49 H GLY 7 H GLY 7 12.922 18.395 -11.848 50 HA2 GLY 7 HA2 GLY 7 13.604 16.165 -12.899 51 HA3 GLY 7 HA3 GLY 7 13.689 15.587 -11.240 52 H LYS 8 H LYS 8 11.497 17.085 -13.593 53 HA LYS 8 HA LYS 8 9.083 16.935 -12.224 54 HB2 LYS 8 HB2 LYS 8 9.599 18.206 -14.354 55 HB3 LYS 8 HB3 LYS 8 9.443 16.702 -15.245 56 HG2 LYS 8 HG2 LYS 8 7.152 17.814 -13.582 57 HG3 LYS 8 HG3 LYS 8 7.457 18.367 -15.229 58 HD2 LYS 8 HD2 LYS 8 7.091 16.110 -16.106 59 HD3 LYS 8 HD3 LYS 8 6.924 15.463 -14.473 60 HE2 LYS 8 HE2 LYS 8 4.727 15.736 -15.506 61 HE3 LYS 8 HE3 LYS 8 4.892 16.845 -14.144 62 HZ1 LYS 8 HZ1 LYS 8 3.891 17.937 -16.037 63 HZ2 LYS 8 HZ2 LYS 8 5.217 17.548 -17.009 64 HZ3 LYS 8 HZ3 LYS 8 5.404 18.619 -15.717 65 H LYS 9 H LYS 9 10.384 14.619 -14.596 66 HA LYS 9 HA LYS 9 10.042 12.460 -15.077 67 HB2 LYS 9 HB2 LYS 9 9.118 12.259 -12.181 68 HB3 LYS 9 HB3 LYS 9 9.499 10.883 -13.212 69 HG2 LYS 9 HG2 LYS 9 11.463 13.038 -12.338 70 HG3 LYS 9 HG3 LYS 9 11.332 11.422 -11.635 71 HD2 LYS 9 HD2 LYS 9 12.096 12.035 -14.528 72 HD3 LYS 9 HD3 LYS 9 13.228 11.616 -13.241 73 HE2 LYS 9 HE2 LYS 9 12.235 9.383 -13.044 74 HE3 LYS 9 HE3 LYS 9 10.997 9.797 -14.233 75 HZ1 LYS 9 HZ1 LYS 9 12.715 10.032 -15.900 76 HZ2 LYS 9 HZ2 LYS 9 12.786 8.496 -15.196 77 HZ3 LYS 9 HZ3 LYS 9 13.910 9.678 -14.758 78 H ARG 10 H ARG 10 8.510 12.522 -16.628 79 HA ARG 10 HA ARG 10 5.784 13.264 -16.319 80 HB2 ARG 10 HB2 ARG 10 5.562 12.692 -18.705 81 HB3 ARG 10 HB3 ARG 10 7.044 13.602 -18.423 82 HG2 ARG 10 HG2 ARG 10 8.388 11.570 -18.588 83 HG3 ARG 10 HG3 ARG 10 6.938 10.572 -18.683 84 HD2 ARG 10 HD2 ARG 10 6.360 11.657 -20.851 85 HD3 ARG 10 HD3 ARG 10 7.865 12.579 -20.772 86 HE ARG 10 HE ARG 10 8.983 10.287 -20.720 87 HH11 ARG 10 HH11 ARG 10 5.960 10.747 -22.366 88 HH12 ARG 10 HH12 ARG 10 6.294 9.499 -23.512 89 HH21 ARG 10 HH21 ARG 10 9.329 8.667 -22.152 90 HH22 ARG 10 HH22 ARG 10 8.171 8.335 -23.388 91 H ARG 11 H ARG 11 7.258 10.243 -15.702 92 HA ARG 11 HA ARG 11 5.361 8.452 -16.851 93 HB2 ARG 11 HB2 ARG 11 7.723 7.831 -16.465 94 HB3 ARG 11 HB3 ARG 11 7.475 7.944 -14.723 95 HG2 ARG 11 HG2 ARG 11 5.764 6.074 -14.931 96 HG3 ARG 11 HG3 ARG 11 6.246 5.911 -16.623 97 HD2 ARG 11 HD2 ARG 11 8.566 5.393 -15.894 98 HD3 ARG 11 HD3 ARG 11 8.054 5.546 -14.205 99 HE ARG 11 HE ARG 11 6.758 3.557 -15.956 100 HH11 ARG 11 HH11 ARG 11 8.666 4.203 -13.144 101 HH12 ARG 11 HH12 ARG 11 8.681 2.555 -12.643 102 HH21 ARG 11 HH21 ARG 11 6.770 1.464 -15.296 103 HH22 ARG 11 HH22 ARG 11 7.618 1.007 -13.863 104 H ASN 12 H ASN 12 6.131 8.597 -13.338 105 HA ASN 12 HA ASN 12 3.442 7.587 -12.710 106 HB2 ASN 12 HB2 ASN 12 5.412 6.411 -11.751 107 HB3 ASN 12 HB3 ASN 12 5.912 7.887 -10.934 108 HD21 ASN 12 HD21 ASN 12 5.746 7.083 -8.849 109 HD22 ASN 12 HD22 ASN 12 4.257 6.605 -8.120 110 H ARG 13 H ARG 13 1.935 8.705 -11.583 111 HA ARG 13 HA ARG 13 2.331 11.514 -10.908 112 HB2 ARG 13 HB2 ARG 13 -0.110 9.696 -10.759 113 HB3 ARG 13 HB3 ARG 13 -0.136 11.399 -10.303 114 HG2 ARG 13 HG2 ARG 13 0.362 12.090 -12.561 115 HG3 ARG 13 HG3 ARG 13 0.663 10.427 -13.065 116 HD2 ARG 13 HD2 ARG 13 -1.688 9.861 -12.752 117 HD3 ARG 13 HD3 ARG 13 -2.029 11.474 -12.117 118 HE ARG 13 HE ARG 13 -1.014 12.006 -14.564 119 HH11 ARG 13 HH11 ARG 13 -3.577 9.886 -13.586 120 HH12 ARG 13 HH12 ARG 13 -4.444 10.089 -15.066 121 HH21 ARG 13 HH21 ARG 13 -2.130 12.256 -16.417 122 HH22 ARG 13 HH22 ARG 13 -3.624 11.428 -16.658 123 H THR 14 H THR 14 4.022 10.898 -9.311 124 HA THR 14 HA THR 14 3.375 9.726 -6.781 125 HB THR 14 HB THR 14 5.696 11.590 -7.489 126 HG1 THR 14 HG1 THR 14 6.791 9.416 -7.549 127 HG21 THR 14 HG21 THR 14 5.376 11.388 -5.035 128 HG22 THR 14 HG22 THR 14 6.854 10.575 -5.552 129 HG23 THR 14 HG23 THR 14 5.413 9.629 -5.170 130 H THR 15 H THR 15 1.509 10.731 -6.081 131 HA THR 15 HA THR 15 1.540 13.626 -5.404 132 HB THR 15 HB THR 15 -0.243 12.961 -6.985 133 HG1 THR 15 HG1 THR 15 -1.374 13.548 -4.427 134 HG21 THR 15 HG21 THR 15 -0.568 10.599 -6.304 135 HG22 THR 15 HG22 THR 15 -2.100 11.476 -6.303 136 HG23 THR 15 HG23 THR 15 -1.277 11.129 -4.780 137 H PHE 16 H PHE 16 2.602 11.219 -3.856 138 HA PHE 16 HA PHE 16 0.855 10.763 -1.612 139 HB2 PHE 16 HB2 PHE 16 3.811 10.039 -1.841 140 HB3 PHE 16 HB3 PHE 16 2.612 9.314 -0.771 141 HD1 PHE 16 HD1 PHE 16 0.499 8.245 -2.044 142 HD2 PHE 16 HD2 PHE 16 4.347 8.868 -3.801 143 HE1 PHE 16 HE1 PHE 16 0.017 6.526 -3.738 144 HE2 PHE 16 HE2 PHE 16 3.854 7.151 -5.490 145 HZ PHE 16 HZ PHE 16 1.687 5.976 -5.458 146 H THR 17 H THR 17 0.717 11.948 0.213 147 HA THR 17 HA THR 17 2.205 14.392 0.538 148 HB THR 17 HB THR 17 0.781 14.656 2.625 149 HG1 THR 17 HG1 THR 17 -0.632 13.065 3.170 150 HG21 THR 17 HG21 THR 17 -1.372 14.931 1.426 151 HG22 THR 17 HG22 THR 17 -0.742 14.001 0.065 152 HG23 THR 17 HG23 THR 17 -0.030 15.565 0.472 153 H SER 18 H SER 18 1.612 12.238 3.336 154 HA SER 18 HA SER 18 4.418 11.572 3.696 155 HB2 SER 18 HB2 SER 18 4.697 12.648 5.899 156 HB3 SER 18 HB3 SER 18 4.327 13.873 4.693 157 HG SER 18 HG SER 18 2.998 13.264 6.944 158 H TYR 19 H TYR 19 1.279 11.801 5.417 159 HA TYR 19 HA TYR 19 1.471 9.389 6.876 160 HB2 TYR 19 HB2 TYR 19 -0.158 11.110 7.500 161 HB3 TYR 19 HB3 TYR 19 -0.991 10.942 5.962 162 HD1 TYR 19 HD2 TYR 19 -0.200 9.119 9.133 163 HD2 TYR 19 HD1 TYR 19 -2.753 9.318 5.708 164 HE1 TYR 19 HE2 TYR 19 -1.657 7.406 10.120 165 HE2 TYR 19 HE1 TYR 19 -4.203 7.590 6.682 166 HH TYR 19 HH TYR 19 -3.896 6.560 9.969 167 H GLN 20 H GLN 20 0.356 10.059 3.565 168 HA GLN 20 HA GLN 20 -0.719 7.547 2.906 169 HB2 GLN 20 HB2 GLN 20 0.832 9.439 1.088 170 HB3 GLN 20 HB3 GLN 20 -0.154 8.084 0.533 171 HG2 GLN 20 HG2 GLN 20 -2.142 9.190 1.631 172 HG3 GLN 20 HG3 GLN 20 -1.111 10.580 1.966 173 HE21 GLN 20 HE21 GLN 20 -2.820 8.810 -0.488 174 HE22 GLN 20 HE22 GLN 20 -2.661 9.990 -1.735 175 H LEU 21 H LEU 21 2.691 8.658 2.543 176 HA LEU 21 HA LEU 21 3.724 6.102 1.781 177 HB2 LEU 21 HB2 LEU 21 5.111 8.587 2.836 178 HB3 LEU 21 HB3 LEU 21 5.989 7.140 2.350 179 HG LEU 21 HG LEU 21 4.268 8.883 0.543 180 HD11 LEU 21 HD11 LEU 21 7.276 8.499 0.586 181 HD12 LEU 21 HD12 LEU 21 6.390 9.935 1.120 182 HD13 LEU 21 HD13 LEU 21 6.358 9.464 -0.578 183 HD21 LEU 21 HD21 LEU 21 5.840 6.379 -0.170 184 HD22 LEU 21 HD22 LEU 21 5.035 7.455 -1.317 185 HD23 LEU 21 HD23 LEU 21 4.082 6.545 -0.150 186 H GLU 22 H GLU 22 3.228 7.623 4.940 187 HA GLU 22 HA GLU 22 4.659 5.876 6.610 188 HB2 GLU 22 HB2 GLU 22 2.183 7.557 7.006 189 HB3 GLU 22 HB3 GLU 22 2.582 6.378 8.249 190 HG2 GLU 22 HG2 GLU 22 4.454 8.567 7.297 191 HG3 GLU 22 HG3 GLU 22 3.413 8.681 8.717 192 H GLU 23 H GLU 23 1.256 5.628 5.558 193 HA GLU 23 HA GLU 23 0.758 3.093 6.738 194 HB2 GLU 23 HB2 GLU 23 -0.688 4.659 4.583 195 HB3 GLU 23 HB3 GLU 23 -1.301 3.149 5.251 196 HG2 GLU 23 HG2 GLU 23 -0.776 5.682 6.833 197 HG3 GLU 23 HG3 GLU 23 -2.351 5.154 6.240 198 H LEU 24 H LEU 24 1.498 4.029 3.356 199 HA LEU 24 HA LEU 24 1.250 1.545 2.096 200 HB2 LEU 24 HB2 LEU 24 3.046 3.916 1.496 201 HB3 LEU 24 HB3 LEU 24 2.965 2.521 0.430 202 HG LEU 24 HG LEU 24 0.557 4.264 1.112 203 HD11 LEU 24 HD11 LEU 24 2.224 5.585 -0.095 204 HD12 LEU 24 HD12 LEU 24 0.825 5.263 -1.113 205 HD13 LEU 24 HD13 LEU 24 2.321 4.355 -1.357 206 HD21 LEU 24 HD21 LEU 24 -0.512 3.143 -0.798 207 HD22 LEU 24 HD22 LEU 24 -0.040 1.977 0.433 208 HD23 LEU 24 HD23 LEU 24 0.926 2.145 -1.038 209 H GLU 25 H GLU 25 4.245 3.035 3.405 210 HA GLU 25 HA GLU 25 5.953 0.800 3.103 211 HB2 GLU 25 HB2 GLU 25 6.064 3.273 4.855 212 HB3 GLU 25 HB3 GLU 25 7.299 2.027 4.982 213 HG2 GLU 25 HG2 GLU 25 6.630 3.516 2.431 214 HG3 GLU 25 HG3 GLU 25 7.917 3.976 3.544 215 H LYS 26 H LYS 26 3.895 1.806 5.844 216 HA LYS 26 HA LYS 26 4.931 0.034 7.793 217 HB2 LYS 26 HB2 LYS 26 3.493 2.147 8.095 218 HB3 LYS 26 HB3 LYS 26 2.102 1.134 7.781 219 HG2 LYS 26 HG2 LYS 26 2.395 -0.086 9.803 220 HG3 LYS 26 HG3 LYS 26 4.032 0.534 10.038 221 HD2 LYS 26 HD2 LYS 26 1.455 2.162 10.205 222 HD3 LYS 26 HD3 LYS 26 2.446 1.658 11.578 223 HE2 LYS 26 HE2 LYS 26 4.307 3.062 10.755 224 HE3 LYS 26 HE3 LYS 26 3.355 3.533 9.348 225 HZ1 LYS 26 HZ1 LYS 26 1.770 4.589 10.848 226 HZ2 LYS 26 HZ2 LYS 26 3.328 5.241 11.015 227 HZ3 LYS 26 HZ3 LYS 26 2.729 4.165 12.179 228 H VAL 27 H VAL 27 2.181 -0.268 5.571 229 HA VAL 27 HA VAL 27 1.342 -2.888 6.322 230 HB VAL 27 HB VAL 27 0.890 -1.331 3.733 231 HG11 VAL 27 HG11 VAL 27 -0.940 -2.944 3.221 232 HG12 VAL 27 HG12 VAL 27 -0.446 -3.925 4.603 233 HG13 VAL 27 HG13 VAL 27 0.647 -3.725 3.232 234 HG21 VAL 27 HG21 VAL 27 -1.389 -0.924 4.630 235 HG22 VAL 27 HG22 VAL 27 -0.150 -0.283 5.713 236 HG23 VAL 27 HG23 VAL 27 -0.963 -1.799 6.107 237 H PHE 28 H PHE 28 3.704 -1.644 3.970 238 HA PHE 28 HA PHE 28 4.291 -4.099 2.656 239 HB2 PHE 28 HB2 PHE 28 4.839 -1.893 1.664 240 HB3 PHE 28 HB3 PHE 28 6.042 -1.612 2.919 241 HD1 PHE 28 HD1 PHE 28 5.165 -4.079 0.229 242 HD2 PHE 28 HD2 PHE 28 8.306 -2.221 2.467 243 HE1 PHE 28 HE1 PHE 28 6.836 -5.229 -1.151 244 HE2 PHE 28 HE2 PHE 28 9.970 -3.380 1.066 245 HZ PHE 28 HZ PHE 28 9.235 -4.884 -0.740 246 H GLN 29 H GLN 29 5.692 -2.549 5.536 247 HA GLN 29 HA GLN 29 7.822 -4.452 5.916 248 HB2 GLN 29 HB2 GLN 29 6.632 -2.569 7.997 249 HB3 GLN 29 HB3 GLN 29 8.200 -3.364 8.082 250 HG2 GLN 29 HG2 GLN 29 7.380 -1.162 6.171 251 HG3 GLN 29 HG3 GLN 29 8.474 -1.014 7.536 252 HE21 GLN 29 HE21 GLN 29 8.841 -0.467 4.635 253 HE22 GLN 29 HE22 GLN 29 10.236 -1.379 4.182 254 H LYS 30 H LYS 30 4.489 -4.152 6.965 255 HA LYS 30 HA LYS 30 4.483 -6.249 8.924 256 HB2 LYS 30 HB2 LYS 30 2.856 -4.281 8.732 257 HB3 LYS 30 HB3 LYS 30 2.115 -5.115 7.370 258 HG2 LYS 30 HG2 LYS 30 1.551 -7.016 8.884 259 HG3 LYS 30 HG3 LYS 30 2.268 -6.121 10.231 260 HD2 LYS 30 HD2 LYS 30 0.578 -4.262 9.733 261 HD3 LYS 30 HD3 LYS 30 -0.213 -5.386 8.623 262 HE2 LYS 30 HE2 LYS 30 -1.350 -5.390 10.788 263 HE3 LYS 30 HE3 LYS 30 -0.573 -6.955 10.528 264 HZ1 LYS 30 HZ1 LYS 30 1.243 -6.265 11.948 265 HZ2 LYS 30 HZ2 LYS 30 -0.221 -6.106 12.775 266 HZ3 LYS 30 HZ3 LYS 30 0.550 -4.736 12.155 267 H THR 31 H THR 31 3.745 -6.027 5.484 268 HA THR 31 HA THR 31 4.068 -8.837 4.958 269 HB THR 31 HB THR 31 1.765 -9.046 5.692 270 HG1 THR 31 HG1 THR 31 0.798 -9.315 3.333 271 HG21 THR 31 HG21 THR 31 1.044 -6.681 5.517 272 HG22 THR 31 HG22 THR 31 -0.110 -7.760 4.726 273 HG23 THR 31 HG23 THR 31 1.023 -6.815 3.756 274 H HIS 32 H HIS 32 4.640 -9.177 2.836 275 HA HIS 32 HA HIS 32 5.095 -6.900 1.106 276 HB2 HIS 32 HB2 HIS 32 5.523 -9.873 0.587 277 HB3 HIS 32 HB3 HIS 32 6.094 -8.575 -0.457 278 HD1 HIS 32 HD1 HIS 32 7.217 -10.707 2.178 279 HD2 HIS 32 HD2 HIS 32 7.947 -6.758 1.132 280 HE1 HIS 32 HE1 HIS 32 9.328 -10.085 3.372 281 HE2 HIS 32 HE2 HIS 32 9.608 -7.636 2.905 282 H TYR 33 H TYR 33 2.416 -8.897 1.608 283 HA TYR 33 HA TYR 33 1.248 -8.291 -1.055 284 HB2 TYR 33 HB2 TYR 33 0.710 -10.760 0.652 285 HB3 TYR 33 HB3 TYR 33 -0.005 -10.408 -0.919 286 HD1 TYR 33 HD2 TYR 33 1.693 -10.078 -2.912 287 HD2 TYR 33 HD1 TYR 33 2.678 -12.094 0.730 288 HE1 TYR 33 HE2 TYR 33 3.552 -11.215 -4.044 289 HE2 TYR 33 HE1 TYR 33 4.542 -13.225 -0.402 290 HH TYR 33 HH TYR 33 5.197 -13.864 -2.688 291 HA PRO 34 HA PRO 34 -1.910 -6.461 1.801 292 HB2 PRO 34 HB2 PRO 34 -2.657 -4.406 0.185 293 HB3 PRO 34 HB3 PRO 34 -1.206 -4.315 1.195 294 HG2 PRO 34 HG2 PRO 34 -1.430 -4.937 -1.746 295 HG3 PRO 34 HG3 PRO 34 -0.264 -3.889 -0.911 296 HD2 PRO 34 HD2 PRO 34 0.315 -6.478 -1.668 297 HD3 PRO 34 HD3 PRO 34 1.093 -5.664 -0.294 298 H ASP 35 H ASP 35 -3.194 -8.324 1.533 299 HA ASP 35 HA ASP 35 -4.415 -9.088 -0.939 300 HB2 ASP 35 HB2 ASP 35 -3.795 -10.547 1.163 301 HB3 ASP 35 HB3 ASP 35 -5.365 -10.051 1.783 302 H VAL 36 H VAL 36 -7.063 -9.636 -0.619 303 HA VAL 36 HA VAL 36 -8.247 -7.329 -1.523 304 HB VAL 36 HB VAL 36 -9.078 -9.637 -1.887 305 HG11 VAL 36 HG11 VAL 36 -8.992 -10.519 0.393 306 HG12 VAL 36 HG12 VAL 36 -10.608 -10.721 -0.287 307 HG13 VAL 36 HG13 VAL 36 -10.301 -9.436 0.890 308 HG21 VAL 36 HG21 VAL 36 -11.229 -7.701 -0.955 309 HG22 VAL 36 HG22 VAL 36 -11.485 -9.087 -2.017 310 HG23 VAL 36 HG23 VAL 36 -10.483 -7.738 -2.556 311 H TYR 37 H TYR 37 -8.301 -8.449 1.853 312 HA TYR 37 HA TYR 37 -10.176 -6.439 2.758 313 HB2 TYR 37 HB2 TYR 37 -9.950 -8.682 3.889 314 HB3 TYR 37 HB3 TYR 37 -8.360 -8.197 4.471 315 HD1 TYR 37 HD2 TYR 37 -11.935 -7.098 4.501 316 HD2 TYR 37 HD1 TYR 37 -8.212 -7.104 6.596 317 HE1 TYR 37 HE2 TYR 37 -13.008 -5.989 6.418 318 HE2 TYR 37 HE1 TYR 37 -9.282 -5.991 8.512 319 HH TYR 37 HH TYR 37 -11.228 -4.589 8.970 320 H ALA 38 H ALA 38 -6.652 -6.865 2.877 321 HA ALA 38 HA ALA 38 -5.992 -4.488 4.305 322 HB1 ALA 38 HB1 ALA 38 -4.303 -6.088 2.357 323 HB2 ALA 38 HB2 ALA 38 -4.437 -6.381 4.091 324 HB3 ALA 38 HB3 ALA 38 -3.693 -4.890 3.506 325 H ARG 39 H ARG 39 -6.791 -5.073 0.937 326 HA ARG 39 HA ARG 39 -5.932 -2.627 -0.226 327 HB2 ARG 39 HB2 ARG 39 -8.312 -4.405 -0.917 328 HB3 ARG 39 HB3 ARG 39 -7.753 -3.073 -1.927 329 HG2 ARG 39 HG2 ARG 39 -6.059 -5.485 -1.209 330 HG3 ARG 39 HG3 ARG 39 -7.034 -5.363 -2.672 331 HD2 ARG 39 HD2 ARG 39 -5.708 -3.425 -3.421 332 HD3 ARG 39 HD3 ARG 39 -4.770 -3.476 -1.927 333 HE ARG 39 HE ARG 39 -3.541 -5.209 -2.769 334 HH11 ARG 39 HH11 ARG 39 -6.345 -4.906 -4.810 335 HH12 ARG 39 HH12 ARG 39 -5.706 -5.989 -5.988 336 HH21 ARG 39 HH21 ARG 39 -2.777 -6.573 -4.309 337 HH22 ARG 39 HH22 ARG 39 -3.714 -6.897 -5.723 338 H GLU 40 H GLU 40 -8.983 -3.584 1.363 339 HA GLU 40 HA GLU 40 -10.401 -1.151 1.083 340 HB2 GLU 40 HB2 GLU 40 -10.692 -3.294 3.235 341 HB3 GLU 40 HB3 GLU 40 -11.869 -2.024 2.898 342 HG2 GLU 40 HG2 GLU 40 -11.045 -4.256 1.014 343 HG3 GLU 40 HG3 GLU 40 -12.548 -4.172 1.931 344 H GLN 41 H GLN 41 -8.523 -2.411 3.850 345 HA GLN 41 HA GLN 41 -8.852 -0.277 5.638 346 HB2 GLN 41 HB2 GLN 41 -6.475 -2.168 5.351 347 HB3 GLN 41 HB3 GLN 41 -6.807 -1.166 6.763 348 HG2 GLN 41 HG2 GLN 41 -8.582 -3.406 5.739 349 HG3 GLN 41 HG3 GLN 41 -7.447 -3.536 7.074 350 HE21 GLN 41 HE21 GLN 41 -7.925 -2.453 9.040 351 HE22 GLN 41 HE22 GLN 41 -9.528 -1.942 9.418 352 H LEU 42 H LEU 42 -6.076 -0.927 3.469 353 HA LEU 42 HA LEU 42 -4.581 1.380 4.087 354 HB2 LEU 42 HB2 LEU 42 -3.678 -0.709 3.087 355 HB3 LEU 42 HB3 LEU 42 -4.511 -0.350 1.588 356 HG LEU 42 HG LEU 42 -3.056 1.592 1.189 357 HD11 LEU 42 HD11 LEU 42 -1.706 0.895 3.812 358 HD12 LEU 42 HD12 LEU 42 -2.681 2.331 3.484 359 HD13 LEU 42 HD13 LEU 42 -1.150 2.100 2.646 360 HD21 LEU 42 HD21 LEU 42 -1.454 -0.891 1.894 361 HD22 LEU 42 HD22 LEU 42 -0.946 0.403 0.805 362 HD23 LEU 42 HD23 LEU 42 -2.322 -0.611 0.381 363 H ALA 43 H ALA 43 -6.931 0.773 1.461 364 HA ALA 43 HA ALA 43 -6.682 3.175 0.012 365 HB1 ALA 43 HB1 ALA 43 -9.203 1.527 0.422 366 HB2 ALA 43 HB2 ALA 43 -7.971 1.234 -0.805 367 HB3 ALA 43 HB3 ALA 43 -8.928 2.713 -0.865 368 H MET 44 H MET 44 -8.856 2.413 2.764 369 HA MET 44 HA MET 44 -10.133 4.989 2.801 370 HB2 MET 44 HB2 MET 44 -10.111 2.794 4.916 371 HB3 MET 44 HB3 MET 44 -11.156 4.218 4.949 372 HG2 MET 44 HG2 MET 44 -11.178 1.998 2.886 373 HG3 MET 44 HG3 MET 44 -12.408 2.323 4.110 374 HE1 MET 44 HE1 MET 44 -14.206 2.180 2.033 375 HE2 MET 44 HE2 MET 44 -12.900 1.990 0.861 376 HE3 MET 44 HE3 MET 44 -14.125 3.240 0.627 377 H ARG 45 H ARG 45 -7.247 3.727 4.341 378 HA ARG 45 HA ARG 45 -6.894 5.802 6.301 379 HB2 ARG 45 HB2 ARG 45 -4.956 3.802 5.064 380 HB3 ARG 45 HB3 ARG 45 -4.477 4.935 6.325 381 HG2 ARG 45 HG2 ARG 45 -6.648 2.830 6.644 382 HG3 ARG 45 HG3 ARG 45 -4.967 2.629 7.147 383 HD2 ARG 45 HD2 ARG 45 -5.264 4.654 8.642 384 HD3 ARG 45 HD3 ARG 45 -6.982 4.620 8.238 385 HE ARG 45 HE ARG 45 -7.254 2.720 9.541 386 HH11 ARG 45 HH11 ARG 45 -3.851 3.467 9.401 387 HH12 ARG 45 HH12 ARG 45 -3.497 2.444 10.746 388 HH21 ARG 45 HH21 ARG 45 -6.726 1.416 11.232 389 HH22 ARG 45 HH22 ARG 45 -5.083 1.307 11.754 390 H THR 46 H THR 46 -5.503 5.244 3.051 391 HA THR 46 HA THR 46 -3.869 7.690 3.222 392 HB THR 46 HB THR 46 -2.754 6.838 1.174 393 HG1 THR 46 HG1 THR 46 -3.978 4.361 1.212 394 HG21 THR 46 HG21 THR 46 -1.922 6.035 3.360 395 HG22 THR 46 HG22 THR 46 -1.737 4.804 2.110 396 HG23 THR 46 HG23 THR 46 -3.045 4.672 3.290 397 H ASP 47 H ASP 47 -6.895 6.857 1.922 398 HA ASP 47 HA ASP 47 -8.349 7.684 0.416 399 HB2 ASP 47 HB2 ASP 47 -6.488 10.091 0.395 400 HB3 ASP 47 HB3 ASP 47 -8.011 10.052 -0.489 401 H LEU 48 H LEU 48 -5.775 6.219 -0.432 402 HA LEU 48 HA LEU 48 -5.619 6.843 -3.290 403 HB2 LEU 48 HB2 LEU 48 -4.275 4.710 -1.578 404 HB3 LEU 48 HB3 LEU 48 -3.992 4.897 -3.305 405 HG LEU 48 HG LEU 48 -3.341 7.008 -1.199 406 HD11 LEU 48 HD11 LEU 48 -1.909 5.048 -0.936 407 HD12 LEU 48 HD12 LEU 48 -0.984 6.411 -1.558 408 HD13 LEU 48 HD13 LEU 48 -1.468 5.104 -2.646 409 HD21 LEU 48 HD21 LEU 48 -2.631 6.943 -4.157 410 HD22 LEU 48 HD22 LEU 48 -2.120 8.169 -2.989 411 HD23 LEU 48 HD23 LEU 48 -3.824 8.001 -3.400 412 H THR 49 H THR 49 -6.482 5.569 -4.929 413 HA THR 49 HA THR 49 -8.550 3.651 -4.350 414 HB THR 49 HB THR 49 -8.687 3.337 -6.812 415 HG1 THR 49 HG1 THR 49 -7.231 4.544 -8.158 416 HG21 THR 49 HG21 THR 49 -8.403 6.276 -6.055 417 HG22 THR 49 HG22 THR 49 -9.860 5.297 -5.859 418 HG23 THR 49 HG23 THR 49 -9.249 5.653 -7.475 419 H GLU 50 H GLU 50 -8.505 1.399 -5.395 420 HA GLU 50 HA GLU 50 -6.450 -0.206 -4.376 421 HB2 GLU 50 HB2 GLU 50 -8.682 -1.124 -4.940 422 HB3 GLU 50 HB3 GLU 50 -8.377 -0.854 -6.654 423 HG2 GLU 50 HG2 GLU 50 -6.460 -2.479 -6.510 424 HG3 GLU 50 HG3 GLU 50 -6.929 -2.813 -4.838 425 H ALA 51 H ALA 51 -6.871 1.154 -7.621 426 HA ALA 51 HA ALA 51 -4.775 -0.039 -9.025 427 HB1 ALA 51 HB1 ALA 51 -5.834 2.791 -9.321 428 HB2 ALA 51 HB2 ALA 51 -6.510 1.349 -10.078 429 HB3 ALA 51 HB3 ALA 51 -4.898 1.902 -10.535 430 H ARG 52 H ARG 52 -4.696 2.901 -6.973 431 HA ARG 52 HA ARG 52 -1.920 3.498 -7.375 432 HB2 ARG 52 HB2 ARG 52 -4.039 4.473 -5.475 433 HB3 ARG 52 HB3 ARG 52 -2.367 4.791 -5.053 434 HG2 ARG 52 HG2 ARG 52 -3.331 6.708 -6.195 435 HG3 ARG 52 HG3 ARG 52 -2.023 6.009 -7.150 436 HD2 ARG 52 HD2 ARG 52 -3.730 4.859 -8.567 437 HD3 ARG 52 HD3 ARG 52 -5.002 5.669 -7.642 438 HE ARG 52 HE ARG 52 -3.556 7.757 -8.460 439 HH11 ARG 52 HH11 ARG 52 -4.697 5.052 -10.315 440 HH12 ARG 52 HH12 ARG 52 -4.834 5.984 -11.757 441 HH21 ARG 52 HH21 ARG 52 -3.732 8.896 -10.318 442 HH22 ARG 52 HH22 ARG 52 -4.295 8.127 -11.759 443 H VAL 53 H VAL 53 -3.651 1.617 -4.911 444 HA VAL 53 HA VAL 53 -1.460 0.963 -3.226 445 HB VAL 53 HB VAL 53 -4.015 -0.630 -3.773 446 HG11 VAL 53 HG11 VAL 53 -2.343 -2.104 -2.749 447 HG12 VAL 53 HG12 VAL 53 -3.602 -1.729 -1.570 448 HG13 VAL 53 HG13 VAL 53 -2.034 -0.921 -1.477 449 HG21 VAL 53 HG21 VAL 53 -4.493 1.635 -2.921 450 HG22 VAL 53 HG22 VAL 53 -3.402 1.372 -1.557 451 HG23 VAL 53 HG23 VAL 53 -4.884 0.423 -1.696 452 H GLN 54 H GLN 54 -2.750 -0.573 -6.157 453 HA GLN 54 HA GLN 54 -1.116 -2.900 -6.143 454 HB2 GLN 54 HB2 GLN 54 -2.656 -1.536 -8.386 455 HB3 GLN 54 HB3 GLN 54 -1.776 -3.049 -8.612 456 HG2 GLN 54 HG2 GLN 54 -3.188 -4.169 -6.978 457 HG3 GLN 54 HG3 GLN 54 -4.017 -2.661 -6.602 458 HE21 GLN 54 HE21 GLN 54 -5.115 -5.199 -7.590 459 HE22 GLN 54 HE22 GLN 54 -5.945 -4.826 -9.054 460 H VAL 55 H VAL 55 -0.882 0.071 -8.169 461 HA VAL 55 HA VAL 55 1.507 -0.506 -9.491 462 HB VAL 55 HB VAL 55 0.367 2.234 -8.782 463 HG11 VAL 55 HG11 VAL 55 2.595 1.576 -10.765 464 HG12 VAL 55 HG12 VAL 55 2.762 2.519 -9.285 465 HG13 VAL 55 HG13 VAL 55 1.800 3.148 -10.623 466 HG21 VAL 55 HG21 VAL 55 -1.123 0.850 -10.189 467 HG22 VAL 55 HG22 VAL 55 0.183 0.616 -11.354 468 HG23 VAL 55 HG23 VAL 55 -0.494 2.226 -11.103 469 H TRP 56 H TRP 56 1.098 1.371 -6.437 470 HA TRP 56 HA TRP 56 3.771 2.074 -6.018 471 HB2 TRP 56 HB2 TRP 56 1.836 2.960 -4.662 472 HB3 TRP 56 HB3 TRP 56 1.782 1.433 -3.792 473 HD1 TRP 56 HD1 TRP 56 3.808 4.669 -4.065 474 HE1 TRP 56 HE1 TRP 56 5.439 4.823 -2.086 475 HE3 TRP 56 HE3 TRP 56 3.234 -0.033 -2.124 476 HZ2 TRP 56 HZ2 TRP 56 6.377 3.193 0.012 477 HZ3 TRP 56 HZ3 TRP 56 4.546 -0.664 -0.141 478 HH2 TRP 56 HH2 TRP 56 6.092 0.920 0.900 479 H PHE 57 H PHE 57 2.029 -0.825 -4.790 480 HA PHE 57 HA PHE 57 4.319 -2.032 -3.581 481 HB2 PHE 57 HB2 PHE 57 1.512 -2.998 -4.177 482 HB3 PHE 57 HB3 PHE 57 2.731 -4.164 -3.677 483 HD1 PHE 57 HD2 PHE 57 0.832 -1.152 -2.583 484 HD2 PHE 57 HD1 PHE 57 3.504 -4.267 -1.395 485 HE1 PHE 57 HE2 PHE 57 0.454 -0.579 -0.230 486 HE2 PHE 57 HE1 PHE 57 3.116 -3.684 0.959 487 HZ PHE 57 HZ PHE 57 1.595 -1.843 1.550 488 H GLN 58 H GLN 58 3.094 -2.189 -6.901 489 HA GLN 58 HA GLN 58 4.559 -4.526 -7.713 490 HB2 GLN 58 HB2 GLN 58 3.405 -2.197 -9.294 491 HB3 GLN 58 HB3 GLN 58 4.230 -3.547 -10.069 492 HG2 GLN 58 HG2 GLN 58 2.562 -5.107 -9.267 493 HG3 GLN 58 HG3 GLN 58 1.786 -3.858 -8.300 494 HE21 GLN 58 HE21 GLN 58 -0.216 -4.130 -9.322 495 HE22 GLN 58 HE22 GLN 58 -0.509 -3.621 -10.946 496 H ASN 59 H ASN 59 5.213 -1.030 -8.191 497 HA ASN 59 HA ASN 59 7.874 -1.258 -9.142 498 HB2 ASN 59 HB2 ASN 59 6.498 1.050 -7.698 499 HB3 ASN 59 HB3 ASN 59 8.061 1.179 -8.500 500 HD21 ASN 59 HD21 ASN 59 8.115 1.308 -10.748 501 HD22 ASN 59 HD22 ASN 59 6.700 1.493 -11.706 502 H ARG 60 H ARG 60 6.569 -1.010 -5.856 503 HA ARG 60 HA ARG 60 8.986 -0.532 -4.449 504 HB2 ARG 60 HB2 ARG 60 6.709 -0.118 -3.504 505 HB3 ARG 60 HB3 ARG 60 6.435 -1.850 -3.427 506 HG2 ARG 60 HG2 ARG 60 6.990 -0.983 -1.222 507 HG3 ARG 60 HG3 ARG 60 8.257 -2.078 -1.775 508 HD2 ARG 60 HD2 ARG 60 9.677 -0.164 -2.382 509 HD3 ARG 60 HD3 ARG 60 8.389 0.952 -1.920 510 HE ARG 60 HE ARG 60 8.752 0.436 0.346 511 HH11 ARG 60 HH11 ARG 60 11.036 -1.266 -1.648 512 HH12 ARG 60 HH12 ARG 60 12.160 -1.451 -0.349 513 HH21 ARG 60 HH21 ARG 60 10.191 0.187 1.953 514 HH22 ARG 60 HH22 ARG 60 11.686 -0.634 1.672 515 H ARG 61 H ARG 61 7.167 -3.585 -4.964 516 HA ARG 61 HA ARG 61 9.034 -5.311 -3.675 517 HB2 ARG 61 HB2 ARG 61 6.829 -5.882 -5.688 518 HB3 ARG 61 HB3 ARG 61 7.807 -7.160 -4.968 519 HG2 ARG 61 HG2 ARG 61 6.974 -6.619 -2.742 520 HG3 ARG 61 HG3 ARG 61 6.105 -5.215 -3.369 521 HD2 ARG 61 HD2 ARG 61 5.530 -8.110 -4.111 522 HD3 ARG 61 HD3 ARG 61 4.597 -7.137 -2.966 523 HE ARG 61 HE ARG 61 4.785 -5.881 -5.523 524 HH11 ARG 61 HH11 ARG 61 3.004 -8.329 -3.836 525 HH12 ARG 61 HH12 ARG 61 1.649 -8.202 -4.897 526 HH21 ARG 61 HH21 ARG 61 3.046 -5.730 -6.823 527 HH22 ARG 61 HH22 ARG 61 1.663 -6.731 -6.565 528 H ALA 62 H ALA 62 8.749 -4.172 -7.015 529 HA ALA 62 HA ALA 62 10.661 -5.879 -8.241 530 HB1 ALA 62 HB1 ALA 62 9.090 -4.487 -9.537 531 HB2 ALA 62 HB2 ALA 62 10.759 -4.173 -10.024 532 HB3 ALA 62 HB3 ALA 62 9.911 -3.027 -8.980 533 H LYS 63 H LYS 63 11.014 -2.608 -6.829 534 HA LYS 63 HA LYS 63 13.852 -2.404 -6.997 535 HB2 LYS 63 HB2 LYS 63 11.860 -1.015 -5.164 536 HB3 LYS 63 HB3 LYS 63 13.555 -0.553 -5.308 537 HG2 LYS 63 HG2 LYS 63 13.222 0.075 -7.643 538 HG3 LYS 63 HG3 LYS 63 11.554 -0.503 -7.586 539 HD2 LYS 63 HD2 LYS 63 11.620 1.943 -7.388 540 HD3 LYS 63 HD3 LYS 63 10.997 1.220 -5.904 541 HE2 LYS 63 HE2 LYS 63 12.557 3.058 -5.410 542 HE3 LYS 63 HE3 LYS 63 13.208 1.526 -4.833 543 HZ1 LYS 63 HZ1 LYS 63 14.616 1.425 -6.780 544 HZ2 LYS 63 HZ2 LYS 63 14.879 2.868 -5.941 545 HZ3 LYS 63 HZ3 LYS 63 13.968 2.873 -7.360 546 H TRP 64 H TRP 64 11.707 -3.804 -4.594 547 HA TRP 64 HA TRP 64 13.559 -4.101 -2.442 548 HB2 TRP 64 HB2 TRP 64 11.114 -4.103 -2.085 549 HB3 TRP 64 HB3 TRP 64 10.959 -5.580 -3.027 550 HD1 TRP 64 HD1 TRP 64 12.323 -4.343 0.376 551 HE1 TRP 64 HE1 TRP 64 12.431 -6.351 1.972 552 HE3 TRP 64 HE3 TRP 64 11.066 -8.042 -2.903 553 HZ2 TRP 64 HZ2 TRP 64 12.050 -9.144 1.860 554 HZ3 TRP 64 HZ3 TRP 64 10.957 -10.366 -2.089 555 HH2 TRP 64 HH2 TRP 64 11.442 -10.903 0.249 556 H ARG 65 H ARG 65 12.577 -6.215 -5.134 557 HA ARG 65 HA ARG 65 14.314 -8.402 -4.495 558 HB2 ARG 65 HB2 ARG 65 13.106 -7.534 -7.161 559 HB3 ARG 65 HB3 ARG 65 14.008 -9.031 -6.932 560 HG2 ARG 65 HG2 ARG 65 11.363 -8.302 -5.620 561 HG3 ARG 65 HG3 ARG 65 11.604 -9.460 -6.931 562 HD2 ARG 65 HD2 ARG 65 12.654 -9.711 -4.083 563 HD3 ARG 65 HD3 ARG 65 11.321 -10.625 -4.790 564 HE ARG 65 HE ARG 65 13.197 -11.384 -6.439 565 HH11 ARG 65 HH11 ARG 65 13.572 -10.968 -3.018 566 HH12 ARG 65 HH12 ARG 65 14.810 -12.160 -2.910 567 HH21 ARG 65 HH21 ARG 65 14.795 -12.892 -6.259 568 HH22 ARG 65 HH22 ARG 65 15.489 -13.237 -4.717 569 H LYS 66 H LYS 66 14.608 -5.672 -6.806 570 HA LYS 66 HA LYS 66 17.403 -5.300 -6.297 571 HB2 LYS 66 HB2 LYS 66 17.297 -7.352 -7.883 572 HB3 LYS 66 HB3 LYS 66 16.758 -6.237 -9.130 573 HG2 LYS 66 HG2 LYS 66 19.144 -6.628 -9.348 574 HG3 LYS 66 HG3 LYS 66 18.871 -4.945 -8.867 575 HD2 LYS 66 HD2 LYS 66 19.379 -5.562 -6.508 576 HD3 LYS 66 HD3 LYS 66 19.676 -7.229 -7.009 577 HE2 LYS 66 HE2 LYS 66 21.589 -6.470 -8.378 578 HE3 LYS 66 HE3 LYS 66 21.261 -4.797 -7.909 579 HZ1 LYS 66 HZ1 LYS 66 23.001 -5.682 -6.555 580 HZ2 LYS 66 HZ2 LYS 66 22.068 -7.012 -6.108 581 HZ3 LYS 66 HZ3 LYS 66 21.638 -5.464 -5.578 582 H ARG 67 H ARG 67 15.016 -4.792 -8.955 583 HA ARG 67 HA ARG 67 15.116 -1.914 -8.827 584 HB2 ARG 67 HB2 ARG 67 16.148 -1.620 -11.148 585 HB3 ARG 67 HB3 ARG 67 17.261 -2.115 -9.871 586 HG2 ARG 67 HG2 ARG 67 16.894 -4.524 -10.693 587 HG3 ARG 67 HG3 ARG 67 16.125 -3.805 -12.115 588 HD2 ARG 67 HD2 ARG 67 18.170 -2.707 -12.753 589 HD3 ARG 67 HD3 ARG 67 18.935 -3.093 -11.204 590 HE ARG 67 HE ARG 67 18.108 -5.286 -12.986 591 HH11 ARG 67 HH11 ARG 67 20.727 -3.480 -11.599 592 HH12 ARG 67 HH12 ARG 67 21.882 -4.728 -11.914 593 HH21 ARG 67 HH21 ARG 67 19.601 -6.855 -13.363 594 HH22 ARG 67 HH22 ARG 67 21.250 -6.605 -12.900 595 H GLU 68 H GLU 68 13.909 -0.916 -10.779 596 HA GLU 68 HA GLU 68 11.463 -2.556 -11.156 597 HB2 GLU 68 HB2 GLU 68 10.215 -0.419 -11.117 598 HB3 GLU 68 HB3 GLU 68 11.141 -0.661 -9.640 599 HG2 GLU 68 HG2 GLU 68 12.800 0.935 -10.311 600 HG3 GLU 68 HG3 GLU 68 12.145 1.039 -11.942 601 H ARG 69 H ARG 69 13.808 -0.681 -12.970 602 HA ARG 69 HA ARG 69 12.145 0.234 -15.077 603 HB2 ARG 69 HB2 ARG 69 14.408 1.165 -14.410 604 HB3 ARG 69 HB3 ARG 69 15.151 -0.218 -15.213 605 HG2 ARG 69 HG2 ARG 69 13.949 0.541 -17.348 606 HG3 ARG 69 HG3 ARG 69 13.528 2.019 -16.482 607 HD2 ARG 69 HD2 ARG 69 15.502 2.398 -17.848 608 HD3 ARG 69 HD3 ARG 69 15.954 2.474 -16.137 609 HE ARG 69 HE ARG 69 16.306 -0.067 -17.567 610 HH11 ARG 69 HH11 ARG 69 17.849 2.726 -16.212 611 HH12 ARG 69 HH12 ARG 69 19.406 1.977 -16.211 612 HH21 ARG 69 HH21 ARG 69 18.268 -0.988 -17.535 613 HH22 ARG 69 HH22 ARG 69 19.635 -0.117 -16.941 614 H PHE 70 H PHE 70 13.782 -2.810 -14.612 615 HA PHE 70 HA PHE 70 13.658 -3.705 -17.362 616 HB2 PHE 70 HB2 PHE 70 14.391 -5.115 -14.760 617 HB3 PHE 70 HB3 PHE 70 14.384 -5.936 -16.316 618 HD1 PHE 70 HD2 PHE 70 15.953 -3.042 -14.509 619 HD2 PHE 70 HD1 PHE 70 16.283 -5.834 -17.733 620 HE1 PHE 70 HE2 PHE 70 18.258 -2.291 -14.933 621 HE2 PHE 70 HE1 PHE 70 18.584 -5.075 -18.149 622 HZ PHE 70 HZ PHE 70 19.576 -3.307 -16.749 623 H GLY 71 H GLY 71 11.226 -3.270 -15.161 624 HA2 GLY 71 HA2 GLY 71 9.603 -5.570 -15.338 625 HA3 GLY 71 HA3 GLY 71 9.038 -3.942 -15.018 626 H GLN 72 H GLN 72 8.833 -6.495 -17.164 627 HA GLN 72 HA GLN 72 8.901 -5.139 -19.694 628 HB2 GLN 72 HB2 GLN 72 9.539 -7.536 -19.306 629 HB3 GLN 72 HB3 GLN 72 7.843 -7.919 -19.043 630 HG2 GLN 72 HG2 GLN 72 7.317 -7.312 -21.358 631 HG3 GLN 72 HG3 GLN 72 8.984 -6.795 -21.620 632 HE21 GLN 72 HE21 GLN 72 6.868 -9.538 -21.231 633 HE22 GLN 72 HE22 GLN 72 7.984 -10.735 -21.773 634 H MET 73 H MET 73 7.270 -4.326 -20.932 635 HA MET 73 HA MET 73 4.438 -4.835 -20.309 636 HB2 MET 73 HB2 MET 73 3.865 -2.442 -20.298 637 HB3 MET 73 HB3 MET 73 5.041 -2.780 -19.038 638 HG2 MET 73 HG2 MET 73 6.827 -1.839 -20.434 639 HG3 MET 73 HG3 MET 73 5.660 -1.530 -21.725 640 HE1 MET 73 HE1 MET 73 7.541 0.790 -20.692 641 HE2 MET 73 HE2 MET 73 6.389 2.114 -20.509 642 HE3 MET 73 HE3 MET 73 6.286 1.032 -21.901 643 H GLN 74 H GLN 74 2.985 -4.320 -22.063 644 HA GLN 74 HA GLN 74 4.200 -4.424 -24.729 645 HB2 GLN 74 HB2 GLN 74 1.277 -4.640 -23.881 646 HB3 GLN 74 HB3 GLN 74 1.855 -4.794 -25.532 647 HG2 GLN 74 HG2 GLN 74 1.630 -7.010 -24.963 648 HG3 GLN 74 HG3 GLN 74 3.318 -6.751 -24.543 649 HE21 GLN 74 HE21 GLN 74 1.521 -8.779 -23.561 650 HE22 GLN 74 HE22 GLN 74 1.421 -8.587 -21.853 651 H GLN 75 H GLN 75 4.749 -2.526 -25.594 652 HA GLN 75 HA GLN 75 4.739 -0.455 -26.466 653 HB2 GLN 75 HB2 GLN 75 2.546 -1.133 -27.409 654 HB3 GLN 75 HB3 GLN 75 1.737 -0.488 -25.990 655 HG2 GLN 75 HG2 GLN 75 2.466 1.789 -26.578 656 HG3 GLN 75 HG3 GLN 75 3.337 1.164 -27.978 657 HE21 GLN 75 HE21 GLN 75 1.170 3.140 -27.889 658 HE22 GLN 75 HE22 GLN 75 -0.090 2.511 -28.889 Start of MODEL 9 1 H1 SER 1 H1 SER 1 28.146 7.488 -12.267 2 H2 SER 1 H2 SER 1 29.262 6.787 -11.204 3 H3 SER 1 H3 SER 1 28.957 8.448 -11.134 4 HA SER 1 HA SER 1 26.971 6.325 -10.548 5 HB2 SER 1 HB2 SER 1 28.526 8.147 -8.654 6 HB3 SER 1 HB3 SER 1 27.250 7.029 -8.159 7 HG SER 1 HG SER 1 29.869 6.544 -8.608 8 H HIS 2 H HIS 2 25.509 7.806 -8.681 9 HA HIS 2 HA HIS 2 23.840 9.469 -10.226 10 HB2 HIS 2 HB2 HIS 2 22.662 9.987 -8.147 11 HB3 HIS 2 HB3 HIS 2 23.112 8.284 -8.141 12 HD1 HIS 2 HD1 HIS 2 23.729 11.520 -6.403 13 HD2 HIS 2 HD2 HIS 2 25.088 7.597 -6.190 14 HE1 HIS 2 HE1 HIS 2 25.050 11.388 -4.279 15 HE2 HIS 2 HE2 HIS 2 25.925 9.037 -4.206 16 H MET 3 H MET 3 23.602 11.713 -10.369 17 HA MET 3 HA MET 3 25.425 13.473 -8.850 18 HB2 MET 3 HB2 MET 3 26.268 13.043 -11.266 19 HB3 MET 3 HB3 MET 3 24.867 13.950 -11.819 20 HG2 MET 3 HG2 MET 3 27.064 15.023 -10.021 21 HG3 MET 3 HG3 MET 3 26.905 15.331 -11.751 22 HE1 MET 3 HE1 MET 3 27.150 17.560 -9.331 23 HE2 MET 3 HE2 MET 3 26.005 18.776 -9.904 24 HE3 MET 3 HE3 MET 3 27.129 18.013 -11.032 25 H SER 4 H SER 4 24.201 14.836 -7.722 26 HA SER 4 HA SER 4 21.456 15.528 -8.590 27 HB2 SER 4 HB2 SER 4 21.006 15.979 -6.171 28 HB3 SER 4 HB3 SER 4 21.553 14.326 -6.432 29 HG SER 4 HG SER 4 22.574 16.009 -4.751 30 H ASN 5 H ASN 5 20.917 17.632 -8.931 31 HA ASN 5 HA ASN 5 22.877 19.787 -8.304 32 HB2 ASN 5 HB2 ASN 5 20.954 19.530 -10.671 33 HB3 ASN 5 HB3 ASN 5 21.853 20.999 -10.299 34 HD21 ASN 5 HD21 ASN 5 22.133 17.686 -11.386 35 HD22 ASN 5 HD22 ASN 5 23.734 17.823 -11.999 36 H LYS 6 H LYS 6 22.165 21.171 -6.757 37 HA LYS 6 HA LYS 6 19.384 21.405 -5.990 38 HB2 LYS 6 HB2 LYS 6 21.835 22.996 -5.101 39 HB3 LYS 6 HB3 LYS 6 20.233 23.158 -4.391 40 HG2 LYS 6 HG2 LYS 6 21.992 20.676 -4.308 41 HG3 LYS 6 HG3 LYS 6 21.664 21.785 -2.970 42 HD2 LYS 6 HD2 LYS 6 19.199 21.170 -3.204 43 HD3 LYS 6 HD3 LYS 6 19.694 19.907 -4.341 44 HE2 LYS 6 HE2 LYS 6 19.386 18.961 -2.112 45 HE3 LYS 6 HE3 LYS 6 21.098 18.890 -2.544 46 HZ1 LYS 6 HZ1 LYS 6 20.770 19.654 -0.274 47 HZ2 LYS 6 HZ2 LYS 6 19.834 20.955 -0.812 48 HZ3 LYS 6 HZ3 LYS 6 21.472 20.866 -1.214 49 H GLY 7 H GLY 7 18.526 22.029 -8.056 50 HA2 GLY 7 HA2 GLY 7 17.914 24.743 -8.381 51 HA3 GLY 7 HA3 GLY 7 19.222 24.362 -9.497 52 H LYS 8 H LYS 8 17.149 25.202 -10.782 53 HA LYS 8 HA LYS 8 15.485 24.863 -12.294 54 HB2 LYS 8 HB2 LYS 8 16.665 22.047 -12.385 55 HB3 LYS 8 HB3 LYS 8 15.503 22.671 -13.554 56 HG2 LYS 8 HG2 LYS 8 17.090 24.342 -14.340 57 HG3 LYS 8 HG3 LYS 8 18.244 23.906 -13.074 58 HD2 LYS 8 HD2 LYS 8 17.322 22.037 -15.304 59 HD3 LYS 8 HD3 LYS 8 18.832 22.953 -15.317 60 HE2 LYS 8 HE2 LYS 8 19.619 21.731 -13.335 61 HE3 LYS 8 HE3 LYS 8 18.083 20.863 -13.236 62 HZ1 LYS 8 HZ1 LYS 8 18.540 19.796 -15.296 63 HZ2 LYS 8 HZ2 LYS 8 19.879 19.593 -14.286 64 HZ3 LYS 8 HZ3 LYS 8 19.936 20.718 -15.545 65 H LYS 9 H LYS 9 14.835 24.549 -9.533 66 HA LYS 9 HA LYS 9 13.175 22.239 -9.049 67 HB2 LYS 9 HB2 LYS 9 13.667 24.765 -7.424 68 HB3 LYS 9 HB3 LYS 9 12.752 23.375 -6.845 69 HG2 LYS 9 HG2 LYS 9 14.774 21.964 -6.983 70 HG3 LYS 9 HG3 LYS 9 15.692 23.331 -7.626 71 HD2 LYS 9 HD2 LYS 9 16.120 22.993 -5.207 72 HD3 LYS 9 HD3 LYS 9 15.392 24.568 -5.528 73 HE2 LYS 9 HE2 LYS 9 13.169 23.639 -4.855 74 HE3 LYS 9 HE3 LYS 9 13.947 22.101 -4.476 75 HZ1 LYS 9 HZ1 LYS 9 14.519 24.701 -3.173 76 HZ2 LYS 9 HZ2 LYS 9 15.251 23.227 -2.794 77 HZ3 LYS 9 HZ3 LYS 9 13.599 23.445 -2.519 78 H ARG 10 H ARG 10 12.330 24.452 -11.128 79 HA ARG 10 HA ARG 10 9.785 25.385 -10.139 80 HB2 ARG 10 HB2 ARG 10 11.219 26.592 -11.859 81 HB3 ARG 10 HB3 ARG 10 10.748 25.362 -13.029 82 HG2 ARG 10 HG2 ARG 10 8.433 26.053 -12.934 83 HG3 ARG 10 HG3 ARG 10 8.745 27.113 -11.556 84 HD2 ARG 10 HD2 ARG 10 10.216 28.514 -13.016 85 HD3 ARG 10 HD3 ARG 10 9.786 27.483 -14.389 86 HE ARG 10 HE ARG 10 7.366 28.250 -13.537 87 HH11 ARG 10 HH11 ARG 10 10.194 30.180 -14.099 88 HH12 ARG 10 HH12 ARG 10 9.272 31.568 -14.550 89 HH21 ARG 10 HH21 ARG 10 6.227 30.032 -14.125 90 HH22 ARG 10 HH22 ARG 10 7.061 31.485 -14.563 91 H ARG 11 H ARG 11 10.896 22.414 -11.392 92 HA ARG 11 HA ARG 11 8.290 21.412 -12.236 93 HB2 ARG 11 HB2 ARG 11 11.002 20.080 -11.814 94 HB3 ARG 11 HB3 ARG 11 9.561 19.178 -12.271 95 HG2 ARG 11 HG2 ARG 11 10.782 21.435 -13.896 96 HG3 ARG 11 HG3 ARG 11 11.020 19.711 -14.202 97 HD2 ARG 11 HD2 ARG 11 8.575 19.456 -14.573 98 HD3 ARG 11 HD3 ARG 11 8.364 21.189 -14.310 99 HE ARG 11 HE ARG 11 9.907 21.451 -16.302 100 HH11 ARG 11 HH11 ARG 11 7.870 18.660 -16.002 101 HH12 ARG 11 HH12 ARG 11 7.710 18.480 -17.714 102 HH21 ARG 11 HH21 ARG 11 9.673 21.187 -18.476 103 HH22 ARG 11 HH22 ARG 11 8.725 19.883 -19.093 104 H ASN 12 H ASN 12 7.018 21.816 -10.364 105 HA ASN 12 HA ASN 12 7.520 20.185 -7.952 106 HB2 ASN 12 HB2 ASN 12 6.930 22.625 -7.712 107 HB3 ASN 12 HB3 ASN 12 5.365 22.303 -8.442 108 HD21 ASN 12 HD21 ASN 12 5.838 23.414 -5.839 109 HD22 ASN 12 HD22 ASN 12 5.133 22.330 -4.689 110 H ARG 13 H ARG 13 6.588 18.209 -7.894 111 HA ARG 13 HA ARG 13 3.973 17.744 -9.218 112 HB2 ARG 13 HB2 ARG 13 5.927 16.630 -10.395 113 HB3 ARG 13 HB3 ARG 13 6.214 15.686 -8.936 114 HG2 ARG 13 HG2 ARG 13 3.936 14.681 -9.163 115 HG3 ARG 13 HG3 ARG 13 3.690 15.615 -10.643 116 HD2 ARG 13 HD2 ARG 13 5.730 14.436 -11.603 117 HD3 ARG 13 HD3 ARG 13 5.718 13.401 -10.167 118 HE ARG 13 HE ARG 13 3.640 13.498 -12.270 119 HH11 ARG 13 HH11 ARG 13 4.890 11.839 -9.479 120 HH12 ARG 13 HH12 ARG 13 4.075 10.372 -9.880 121 HH21 ARG 13 HH21 ARG 13 2.628 11.612 -12.741 122 HH22 ARG 13 HH22 ARG 13 2.816 10.248 -11.696 123 H THR 14 H THR 14 2.427 16.762 -8.005 124 HA THR 14 HA THR 14 2.891 16.427 -5.134 125 HB THR 14 HB THR 14 0.392 16.284 -4.992 126 HG1 THR 14 HG1 THR 14 -0.152 15.363 -6.950 127 HG21 THR 14 HG21 THR 14 1.356 18.654 -6.650 128 HG22 THR 14 HG22 THR 14 1.472 18.509 -4.894 129 HG23 THR 14 HG23 THR 14 -0.111 18.604 -5.666 130 H THR 15 H THR 15 4.285 14.446 -6.023 131 HA THR 15 HA THR 15 2.879 11.968 -6.488 132 HB THR 15 HB THR 15 5.802 12.390 -5.711 133 HG1 THR 15 HG1 THR 15 6.043 13.073 -7.692 134 HG21 THR 15 HG21 THR 15 5.077 10.030 -5.418 135 HG22 THR 15 HG22 THR 15 6.201 10.183 -6.770 136 HG23 THR 15 HG23 THR 15 4.471 10.012 -7.074 137 H PHE 16 H PHE 16 1.428 11.897 -4.725 138 HA PHE 16 HA PHE 16 0.570 11.361 -2.704 139 HB2 PHE 16 HB2 PHE 16 3.293 10.112 -2.096 140 HB3 PHE 16 HB3 PHE 16 1.799 9.807 -1.221 141 HD1 PHE 16 HD1 PHE 16 -0.205 8.823 -2.670 142 HD2 PHE 16 HD2 PHE 16 3.915 8.620 -3.811 143 HE1 PHE 16 HE1 PHE 16 -0.699 6.922 -4.157 144 HE2 PHE 16 HE2 PHE 16 3.408 6.723 -5.293 145 HZ PHE 16 HZ PHE 16 1.103 5.871 -5.466 146 H THR 17 H THR 17 1.006 11.575 -0.167 147 HA THR 17 HA THR 17 2.991 13.693 0.483 148 HB THR 17 HB THR 17 1.501 14.653 2.231 149 HG1 THR 17 HG1 THR 17 -0.462 12.905 1.144 150 HG21 THR 17 HG21 THR 17 0.187 14.679 -0.497 151 HG22 THR 17 HG22 THR 17 1.485 15.751 0.033 152 HG23 THR 17 HG23 THR 17 -0.105 15.843 0.796 153 H SER 18 H SER 18 2.982 13.776 3.124 154 HA SER 18 HA SER 18 4.551 11.628 3.910 155 HB2 SER 18 HB2 SER 18 4.648 13.841 4.982 156 HB3 SER 18 HB3 SER 18 3.052 13.592 5.694 157 HG SER 18 HG SER 18 3.879 12.166 7.086 158 H TYR 19 H TYR 19 1.159 12.243 4.906 159 HA TYR 19 HA TYR 19 0.736 10.111 6.652 160 HB2 TYR 19 HB2 TYR 19 -0.813 12.050 6.266 161 HB3 TYR 19 HB3 TYR 19 -1.309 11.334 4.740 162 HD1 TYR 19 HD1 TYR 19 -2.815 9.330 4.728 163 HD2 TYR 19 HD2 TYR 19 -1.611 11.157 8.401 164 HE1 TYR 19 HE1 TYR 19 -4.566 8.084 5.925 165 HE2 TYR 19 HE2 TYR 19 -3.358 9.913 9.590 166 HH TYR 19 HH TYR 19 -5.475 8.801 9.142 167 H GLN 20 H GLN 20 0.294 10.206 3.133 168 HA GLN 20 HA GLN 20 -0.745 7.635 2.658 169 HB2 GLN 20 HB2 GLN 20 0.819 9.586 0.945 170 HB3 GLN 20 HB3 GLN 20 0.459 7.983 0.320 171 HG2 GLN 20 HG2 GLN 20 -1.152 9.664 -0.467 172 HG3 GLN 20 HG3 GLN 20 -1.925 8.392 0.469 173 HE21 GLN 20 HE21 GLN 20 -3.710 9.768 0.805 174 HE22 GLN 20 HE22 GLN 20 -3.672 11.055 1.943 175 H LEU 21 H LEU 21 2.652 8.748 2.397 176 HA LEU 21 HA LEU 21 3.722 6.208 1.738 177 HB2 LEU 21 HB2 LEU 21 5.158 8.643 2.869 178 HB3 LEU 21 HB3 LEU 21 5.941 7.261 2.106 179 HG LEU 21 HG LEU 21 4.125 9.308 0.764 180 HD11 LEU 21 HD11 LEU 21 7.069 8.713 0.336 181 HD12 LEU 21 HD12 LEU 21 6.391 10.106 1.188 182 HD13 LEU 21 HD13 LEU 21 6.100 9.907 -0.538 183 HD21 LEU 21 HD21 LEU 21 5.341 6.814 -0.482 184 HD22 LEU 21 HD22 LEU 21 4.515 8.107 -1.359 185 HD23 LEU 21 HD23 LEU 21 3.626 7.128 -0.200 186 H GLU 22 H GLU 22 3.112 7.713 4.865 187 HA GLU 22 HA GLU 22 4.680 5.957 6.486 188 HB2 GLU 22 HB2 GLU 22 2.269 7.703 7.103 189 HB3 GLU 22 HB3 GLU 22 3.080 6.750 8.346 190 HG2 GLU 22 HG2 GLU 22 5.179 7.982 7.921 191 HG3 GLU 22 HG3 GLU 22 4.378 8.923 6.663 192 H GLU 23 H GLU 23 1.214 5.878 5.532 193 HA GLU 23 HA GLU 23 0.672 3.394 6.897 194 HB2 GLU 23 HB2 GLU 23 -0.903 5.036 4.888 195 HB3 GLU 23 HB3 GLU 23 -1.493 3.493 5.499 196 HG2 GLU 23 HG2 GLU 23 -0.875 5.944 7.169 197 HG3 GLU 23 HG3 GLU 23 -2.482 5.369 6.720 198 H LEU 24 H LEU 24 1.337 4.210 3.498 199 HA LEU 24 HA LEU 24 0.953 1.707 2.292 200 HB2 LEU 24 HB2 LEU 24 2.844 3.980 1.570 201 HB3 LEU 24 HB3 LEU 24 2.609 2.575 0.537 202 HG LEU 24 HG LEU 24 0.376 4.512 1.309 203 HD11 LEU 24 HD11 LEU 24 2.043 5.674 -0.057 204 HD12 LEU 24 HD12 LEU 24 0.546 5.434 -0.954 205 HD13 LEU 24 HD13 LEU 24 1.948 4.410 -1.289 206 HD21 LEU 24 HD21 LEU 24 -0.430 2.260 0.765 207 HD22 LEU 24 HD22 LEU 24 0.433 2.300 -0.775 208 HD23 LEU 24 HD23 LEU 24 -0.904 3.416 -0.479 209 H GLU 25 H GLU 25 3.936 3.132 3.693 210 HA GLU 25 HA GLU 25 5.603 0.850 3.513 211 HB2 GLU 25 HB2 GLU 25 5.666 3.389 5.150 212 HB3 GLU 25 HB3 GLU 25 6.746 2.082 5.613 213 HG2 GLU 25 HG2 GLU 25 6.682 3.154 2.783 214 HG3 GLU 25 HG3 GLU 25 7.646 3.917 4.046 215 H LYS 26 H LYS 26 3.416 1.951 6.111 216 HA LYS 26 HA LYS 26 4.147 0.179 8.146 217 HB2 LYS 26 HB2 LYS 26 2.585 2.137 8.383 218 HB3 LYS 26 HB3 LYS 26 1.328 1.200 7.579 219 HG2 LYS 26 HG2 LYS 26 1.401 -0.453 9.442 220 HG3 LYS 26 HG3 LYS 26 2.640 0.529 10.236 221 HD2 LYS 26 HD2 LYS 26 0.998 2.439 10.300 222 HD3 LYS 26 HD3 LYS 26 -0.233 1.351 9.643 223 HE2 LYS 26 HE2 LYS 26 -0.492 1.522 12.056 224 HE3 LYS 26 HE3 LYS 26 0.043 -0.109 11.655 225 HZ1 LYS 26 HZ1 LYS 26 1.230 0.761 13.558 226 HZ2 LYS 26 HZ2 LYS 26 1.763 2.096 12.670 227 HZ3 LYS 26 HZ3 LYS 26 2.302 0.545 12.267 228 H VAL 27 H VAL 27 1.700 -0.278 5.582 229 HA VAL 27 HA VAL 27 0.976 -2.955 6.373 230 HB VAL 27 HB VAL 27 0.342 -1.508 3.766 231 HG11 VAL 27 HG11 VAL 27 -1.542 -3.107 3.560 232 HG12 VAL 27 HG12 VAL 27 -1.016 -3.927 5.032 233 HG13 VAL 27 HG13 VAL 27 0.009 -3.958 3.596 234 HG21 VAL 27 HG21 VAL 27 -1.815 -0.897 4.820 235 HG22 VAL 27 HG22 VAL 27 -0.455 -0.223 5.723 236 HG23 VAL 27 HG23 VAL 27 -1.298 -1.651 6.332 237 H PHE 28 H PHE 28 3.211 -1.565 4.012 238 HA PHE 28 HA PHE 28 3.903 -3.909 2.563 239 HB2 PHE 28 HB2 PHE 28 4.446 -1.563 1.864 240 HB3 PHE 28 HB3 PHE 28 5.629 -1.457 3.159 241 HD1 PHE 28 HD1 PHE 28 4.801 -3.616 0.196 242 HD2 PHE 28 HD2 PHE 28 7.885 -1.865 2.584 243 HE1 PHE 28 HE1 PHE 28 6.491 -4.456 -1.372 244 HE2 PHE 28 HE2 PHE 28 9.575 -2.722 1.012 245 HZ PHE 28 HZ PHE 28 8.881 -4.000 -0.980 246 H GLN 29 H GLN 29 5.003 -2.625 5.662 247 HA GLN 29 HA GLN 29 7.135 -4.585 6.004 248 HB2 GLN 29 HB2 GLN 29 6.061 -2.530 7.983 249 HB3 GLN 29 HB3 GLN 29 7.535 -3.476 8.174 250 HG2 GLN 29 HG2 GLN 29 7.011 -1.332 6.097 251 HG3 GLN 29 HG3 GLN 29 8.079 -1.207 7.489 252 HE21 GLN 29 HE21 GLN 29 8.596 -0.893 4.593 253 HE22 GLN 29 HE22 GLN 29 9.868 -2.002 4.224 254 H LYS 30 H LYS 30 3.740 -4.277 6.917 255 HA LYS 30 HA LYS 30 3.590 -6.452 8.767 256 HB2 LYS 30 HB2 LYS 30 1.490 -5.614 6.706 257 HB3 LYS 30 HB3 LYS 30 1.207 -6.700 8.064 258 HG2 LYS 30 HG2 LYS 30 1.581 -4.853 9.639 259 HG3 LYS 30 HG3 LYS 30 1.917 -3.759 8.290 260 HD2 LYS 30 HD2 LYS 30 -0.409 -4.205 7.421 261 HD3 LYS 30 HD3 LYS 30 -0.721 -5.178 8.862 262 HE2 LYS 30 HE2 LYS 30 -0.365 -3.170 10.275 263 HE3 LYS 30 HE3 LYS 30 -0.078 -2.204 8.822 264 HZ1 LYS 30 HZ1 LYS 30 -2.363 -2.018 9.664 265 HZ2 LYS 30 HZ2 LYS 30 -2.592 -3.678 9.420 266 HZ3 LYS 30 HZ3 LYS 30 -2.323 -2.658 8.094 267 H THR 31 H THR 31 3.070 -6.268 5.258 268 HA THR 31 HA THR 31 4.217 -8.851 4.710 269 HB THR 31 HB THR 31 2.079 -9.757 5.221 270 HG1 THR 31 HG1 THR 31 1.217 -10.006 2.827 271 HG21 THR 31 HG21 THR 31 0.743 -7.692 5.329 272 HG22 THR 31 HG22 THR 31 -0.070 -8.907 4.339 273 HG23 THR 31 HG23 THR 31 0.776 -7.564 3.569 274 H HIS 32 H HIS 32 5.079 -8.896 2.708 275 HA HIS 32 HA HIS 32 5.112 -6.548 1.060 276 HB2 HIS 32 HB2 HIS 32 6.227 -9.338 0.541 277 HB3 HIS 32 HB3 HIS 32 6.587 -7.922 -0.447 278 HD1 HIS 32 HD1 HIS 32 7.828 -9.758 2.396 279 HD2 HIS 32 HD2 HIS 32 7.906 -5.791 1.171 280 HE1 HIS 32 HE1 HIS 32 9.664 -8.690 3.728 281 HE2 HIS 32 HE2 HIS 32 9.682 -6.288 2.988 282 H TYR 33 H TYR 33 3.088 -9.307 1.137 283 HA TYR 33 HA TYR 33 1.655 -8.446 -1.305 284 HB2 TYR 33 HB2 TYR 33 1.065 -11.015 -1.516 285 HB3 TYR 33 HB3 TYR 33 2.599 -10.428 -2.128 286 HD1 TYR 33 HD1 TYR 33 1.031 -12.336 0.691 287 HD2 TYR 33 HD2 TYR 33 4.690 -11.186 -1.202 288 HE1 TYR 33 HE1 TYR 33 2.264 -13.936 2.090 289 HE2 TYR 33 HE2 TYR 33 5.912 -12.798 0.194 290 HH TYR 33 HH TYR 33 4.364 -15.194 2.016 291 HA PRO 34 HA PRO 34 -1.217 -8.400 2.417 292 HB2 PRO 34 HB2 PRO 34 -2.199 -5.883 1.137 293 HB3 PRO 34 HB3 PRO 34 -1.692 -6.171 2.804 294 HG2 PRO 34 HG2 PRO 34 -0.170 -4.735 1.122 295 HG3 PRO 34 HG3 PRO 34 0.571 -5.830 2.314 296 HD2 PRO 34 HD2 PRO 34 0.069 -6.300 -0.637 297 HD3 PRO 34 HD3 PRO 34 1.538 -6.615 0.320 298 H ASP 35 H ASP 35 -3.217 -9.333 2.359 299 HA ASP 35 HA ASP 35 -4.533 -10.110 -0.034 300 HB2 ASP 35 HB2 ASP 35 -5.521 -9.972 2.849 301 HB3 ASP 35 HB3 ASP 35 -6.437 -10.707 1.535 302 H VAL 36 H VAL 36 -6.911 -9.595 -0.434 303 HA VAL 36 HA VAL 36 -7.297 -7.001 -1.291 304 HB VAL 36 HB VAL 36 -8.643 -8.795 -2.191 305 HG11 VAL 36 HG11 VAL 36 -10.019 -9.062 0.509 306 HG12 VAL 36 HG12 VAL 36 -8.916 -10.226 -0.227 307 HG13 VAL 36 HG13 VAL 36 -10.483 -9.913 -0.972 308 HG21 VAL 36 HG21 VAL 36 -9.626 -6.551 -2.381 309 HG22 VAL 36 HG22 VAL 36 -10.479 -6.767 -0.852 310 HG23 VAL 36 HG23 VAL 36 -10.896 -7.771 -2.242 311 H TYR 37 H TYR 37 -8.418 -8.405 1.778 312 HA TYR 37 HA TYR 37 -10.050 -6.255 2.636 313 HB2 TYR 37 HB2 TYR 37 -9.968 -8.746 3.438 314 HB3 TYR 37 HB3 TYR 37 -8.696 -8.221 4.534 315 HD1 TYR 37 HD2 TYR 37 -12.287 -7.998 3.726 316 HD2 TYR 37 HD1 TYR 37 -9.256 -6.807 6.499 317 HE1 TYR 37 HE2 TYR 37 -14.017 -7.322 5.324 318 HE2 TYR 37 HE1 TYR 37 -10.996 -6.129 8.102 319 HH TYR 37 HH TYR 37 -13.364 -5.453 8.076 320 H ALA 38 H ALA 38 -6.657 -7.082 3.417 321 HA ALA 38 HA ALA 38 -6.054 -4.992 5.212 322 HB1 ALA 38 HB1 ALA 38 -4.180 -6.373 3.261 323 HB2 ALA 38 HB2 ALA 38 -4.582 -6.943 4.881 324 HB3 ALA 38 HB3 ALA 38 -3.688 -5.434 4.678 325 H ARG 39 H ARG 39 -5.899 -5.113 1.672 326 HA ARG 39 HA ARG 39 -4.802 -2.459 1.341 327 HB2 ARG 39 HB2 ARG 39 -5.942 -4.475 -0.626 328 HB3 ARG 39 HB3 ARG 39 -5.276 -2.916 -1.120 329 HG2 ARG 39 HG2 ARG 39 -3.079 -3.535 -0.221 330 HG3 ARG 39 HG3 ARG 39 -3.728 -5.068 0.374 331 HD2 ARG 39 HD2 ARG 39 -3.623 -4.249 -2.551 332 HD3 ARG 39 HD3 ARG 39 -2.432 -5.275 -1.751 333 HE ARG 39 HE ARG 39 -4.426 -6.791 -1.280 334 HH11 ARG 39 HH11 ARG 39 -4.379 -4.784 -4.099 335 HH12 ARG 39 HH12 ARG 39 -5.213 -5.956 -5.053 336 HH21 ARG 39 HH21 ARG 39 -5.506 -8.245 -2.523 337 HH22 ARG 39 HH22 ARG 39 -5.845 -7.878 -4.174 338 H GLU 40 H GLU 40 -8.061 -3.763 1.581 339 HA GLU 40 HA GLU 40 -9.455 -1.468 0.579 340 HB2 GLU 40 HB2 GLU 40 -10.351 -3.551 2.625 341 HB3 GLU 40 HB3 GLU 40 -11.403 -2.324 1.920 342 HG2 GLU 40 HG2 GLU 40 -10.042 -4.600 0.458 343 HG3 GLU 40 HG3 GLU 40 -11.754 -4.458 0.825 344 H GLN 41 H GLN 41 -8.536 -2.485 3.875 345 HA GLN 41 HA GLN 41 -9.298 -0.227 5.355 346 HB2 GLN 41 HB2 GLN 41 -6.881 -2.048 5.783 347 HB3 GLN 41 HB3 GLN 41 -7.524 -0.933 6.991 348 HG2 GLN 41 HG2 GLN 41 -9.617 -2.202 7.075 349 HG3 GLN 41 HG3 GLN 41 -9.037 -3.290 5.815 350 HE21 GLN 41 HE21 GLN 41 -9.878 -3.909 8.564 351 HE22 GLN 41 HE22 GLN 41 -8.534 -4.704 9.302 352 H LEU 42 H LEU 42 -6.199 -0.919 3.750 353 HA LEU 42 HA LEU 42 -4.795 1.433 4.395 354 HB2 LEU 42 HB2 LEU 42 -3.690 -0.602 3.614 355 HB3 LEU 42 HB3 LEU 42 -4.507 -0.500 2.066 356 HG LEU 42 HG LEU 42 -3.185 1.479 1.445 357 HD11 LEU 42 HD11 LEU 42 -1.838 1.238 4.152 358 HD12 LEU 42 HD12 LEU 42 -2.908 2.539 3.618 359 HD13 LEU 42 HD13 LEU 42 -1.347 2.312 2.838 360 HD21 LEU 42 HD21 LEU 42 -2.279 -0.746 0.913 361 HD22 LEU 42 HD22 LEU 42 -1.412 -0.777 2.450 362 HD23 LEU 42 HD23 LEU 42 -0.986 0.414 1.220 363 H ALA 43 H ALA 43 -6.756 0.659 1.494 364 HA ALA 43 HA ALA 43 -6.205 3.031 0.018 365 HB1 ALA 43 HB1 ALA 43 -8.074 2.340 -1.428 366 HB2 ALA 43 HB2 ALA 43 -8.599 1.167 -0.212 367 HB3 ALA 43 HB3 ALA 43 -7.046 0.963 -1.025 368 H MET 44 H MET 44 -8.691 2.299 2.435 369 HA MET 44 HA MET 44 -10.230 4.708 2.041 370 HB2 MET 44 HB2 MET 44 -10.189 2.727 4.350 371 HB3 MET 44 HB3 MET 44 -11.305 4.081 4.242 372 HG2 MET 44 HG2 MET 44 -12.247 3.126 2.163 373 HG3 MET 44 HG3 MET 44 -11.147 1.753 2.315 374 HE1 MET 44 HE1 MET 44 -14.543 2.670 5.345 375 HE2 MET 44 HE2 MET 44 -14.262 3.619 3.890 376 HE3 MET 44 HE3 MET 44 -13.087 3.662 5.206 377 H ARG 45 H ARG 45 -7.773 3.705 4.470 378 HA ARG 45 HA ARG 45 -7.724 5.998 6.104 379 HB2 ARG 45 HB2 ARG 45 -5.473 4.081 5.356 380 HB3 ARG 45 HB3 ARG 45 -5.320 5.305 6.615 381 HG2 ARG 45 HG2 ARG 45 -7.048 4.217 7.949 382 HG3 ARG 45 HG3 ARG 45 -7.352 3.041 6.664 383 HD2 ARG 45 HD2 ARG 45 -5.069 2.159 6.914 384 HD3 ARG 45 HD3 ARG 45 -4.724 3.365 8.160 385 HE ARG 45 HE ARG 45 -6.979 1.708 8.812 386 HH11 ARG 45 HH11 ARG 45 -3.513 1.779 8.886 387 HH12 ARG 45 HH12 ARG 45 -3.430 0.715 10.241 388 HH21 ARG 45 HH21 ARG 45 -6.829 0.350 10.535 389 HH22 ARG 45 HH22 ARG 45 -5.277 -0.073 11.158 390 H THR 46 H THR 46 -5.573 5.210 3.365 391 HA THR 46 HA THR 46 -4.358 7.818 3.215 392 HB THR 46 HB THR 46 -3.253 6.958 1.165 393 HG1 THR 46 HG1 THR 46 -4.189 4.382 1.340 394 HG21 THR 46 HG21 THR 46 -2.245 6.360 3.344 395 HG22 THR 46 HG22 THR 46 -2.013 5.071 2.164 396 HG23 THR 46 HG23 THR 46 -3.245 4.904 3.417 397 H ASP 47 H ASP 47 -7.323 6.557 2.052 398 HA ASP 47 HA ASP 47 -8.979 7.272 0.710 399 HB2 ASP 47 HB2 ASP 47 -8.690 9.365 2.025 400 HB3 ASP 47 HB3 ASP 47 -7.524 9.950 0.847 401 H LEU 48 H LEU 48 -6.316 6.314 -0.424 402 HA LEU 48 HA LEU 48 -6.197 7.450 -3.122 403 HB2 LEU 48 HB2 LEU 48 -4.663 5.142 -1.835 404 HB3 LEU 48 HB3 LEU 48 -4.342 5.792 -3.438 405 HG LEU 48 HG LEU 48 -3.968 7.299 -0.812 406 HD11 LEU 48 HD11 LEU 48 -2.337 5.497 -1.084 407 HD12 LEU 48 HD12 LEU 48 -1.567 7.069 -1.248 408 HD13 LEU 48 HD13 LEU 48 -1.893 6.100 -2.686 409 HD21 LEU 48 HD21 LEU 48 -2.871 9.047 -2.156 410 HD22 LEU 48 HD22 LEU 48 -4.559 8.848 -2.617 411 HD23 LEU 48 HD23 LEU 48 -3.285 8.183 -3.643 412 H THR 49 H THR 49 -6.588 6.174 -5.037 413 HA THR 49 HA THR 49 -8.531 4.092 -4.995 414 HB THR 49 HB THR 49 -6.477 4.714 -7.182 415 HG1 THR 49 HG1 THR 49 -7.682 6.371 -7.702 416 HG21 THR 49 HG21 THR 49 -7.621 2.547 -7.549 417 HG22 THR 49 HG22 THR 49 -8.122 3.749 -8.740 418 HG23 THR 49 HG23 THR 49 -9.191 3.348 -7.394 419 H GLU 50 H GLU 50 -8.238 1.817 -5.101 420 HA GLU 50 HA GLU 50 -5.963 0.759 -3.772 421 HB2 GLU 50 HB2 GLU 50 -8.414 -0.137 -3.877 422 HB3 GLU 50 HB3 GLU 50 -7.915 -0.950 -5.351 423 HG2 GLU 50 HG2 GLU 50 -6.660 -1.348 -2.611 424 HG3 GLU 50 HG3 GLU 50 -7.879 -2.394 -3.321 425 H ALA 51 H ALA 51 -6.897 0.869 -7.203 426 HA ALA 51 HA ALA 51 -4.802 -0.610 -8.356 427 HB1 ALA 51 HB1 ALA 51 -6.787 0.163 -9.591 428 HB2 ALA 51 HB2 ALA 51 -5.301 0.637 -10.416 429 HB3 ALA 51 HB3 ALA 51 -6.215 1.830 -9.487 430 H ARG 52 H ARG 52 -4.868 2.748 -7.231 431 HA ARG 52 HA ARG 52 -2.271 3.526 -8.193 432 HB2 ARG 52 HB2 ARG 52 -4.090 5.147 -7.674 433 HB3 ARG 52 HB3 ARG 52 -3.970 4.729 -5.969 434 HG2 ARG 52 HG2 ARG 52 -1.683 5.650 -5.892 435 HG3 ARG 52 HG3 ARG 52 -1.776 6.034 -7.616 436 HD2 ARG 52 HD2 ARG 52 -3.696 7.557 -7.141 437 HD3 ARG 52 HD3 ARG 52 -3.514 7.206 -5.413 438 HE ARG 52 HE ARG 52 -1.048 8.107 -6.411 439 HH11 ARG 52 HH11 ARG 52 -4.206 9.410 -5.830 440 HH12 ARG 52 HH12 ARG 52 -3.596 11.000 -5.536 441 HH21 ARG 52 HH21 ARG 52 -0.309 10.132 -6.059 442 HH22 ARG 52 HH22 ARG 52 -1.412 11.406 -5.674 443 H VAL 53 H VAL 53 -3.501 2.266 -5.099 444 HA VAL 53 HA VAL 53 -1.123 2.203 -3.578 445 HB VAL 53 HB VAL 53 -3.555 0.350 -3.520 446 HG11 VAL 53 HG11 VAL 53 -1.669 -0.834 -2.481 447 HG12 VAL 53 HG12 VAL 53 -2.834 -0.351 -1.248 448 HG13 VAL 53 HG13 VAL 53 -1.333 0.557 -1.446 449 HG21 VAL 53 HG21 VAL 53 -4.256 1.710 -1.563 450 HG22 VAL 53 HG22 VAL 53 -4.076 2.706 -3.009 451 HG23 VAL 53 HG23 VAL 53 -2.827 2.732 -1.761 452 H GLN 54 H GLN 54 -2.484 -0.114 -5.898 453 HA GLN 54 HA GLN 54 -0.596 -2.185 -5.751 454 HB2 GLN 54 HB2 GLN 54 -2.311 -1.261 -8.094 455 HB3 GLN 54 HB3 GLN 54 -1.325 -2.717 -8.147 456 HG2 GLN 54 HG2 GLN 54 -3.619 -2.216 -6.223 457 HG3 GLN 54 HG3 GLN 54 -3.691 -3.193 -7.688 458 HE21 GLN 54 HE21 GLN 54 -2.569 -3.058 -4.391 459 HE22 GLN 54 HE22 GLN 54 -2.096 -4.718 -4.274 460 H VAL 55 H VAL 55 -0.512 0.842 -7.656 461 HA VAL 55 HA VAL 55 1.787 0.275 -9.225 462 HB VAL 55 HB VAL 55 0.893 3.023 -8.231 463 HG11 VAL 55 HG11 VAL 55 2.649 2.309 -10.625 464 HG12 VAL 55 HG12 VAL 55 3.204 3.068 -9.131 465 HG13 VAL 55 HG13 VAL 55 2.097 3.931 -10.200 466 HG21 VAL 55 HG21 VAL 55 -0.319 3.223 -10.387 467 HG22 VAL 55 HG22 VAL 55 -0.949 1.907 -9.396 468 HG23 VAL 55 HG23 VAL 55 0.098 1.549 -10.770 469 H TRP 56 H TRP 56 1.470 1.812 -6.020 470 HA TRP 56 HA TRP 56 4.185 2.474 -5.566 471 HB2 TRP 56 HB2 TRP 56 2.182 3.330 -4.249 472 HB3 TRP 56 HB3 TRP 56 2.106 1.773 -3.436 473 HD1 TRP 56 HD1 TRP 56 4.094 5.041 -3.497 474 HE1 TRP 56 HE1 TRP 56 5.625 5.133 -1.438 475 HE3 TRP 56 HE3 TRP 56 3.523 0.237 -1.800 476 HZ2 TRP 56 HZ2 TRP 56 6.503 3.432 0.611 477 HZ3 TRP 56 HZ3 TRP 56 4.759 -0.455 0.210 478 HH2 TRP 56 HH2 TRP 56 6.221 1.111 1.391 479 H PHE 57 H PHE 57 2.286 -0.394 -4.594 480 HA PHE 57 HA PHE 57 4.393 -1.801 -3.318 481 HB2 PHE 57 HB2 PHE 57 1.630 -2.581 -4.266 482 HB3 PHE 57 HB3 PHE 57 2.743 -3.843 -3.753 483 HD1 PHE 57 HD2 PHE 57 1.116 -0.677 -2.565 484 HD2 PHE 57 HD1 PHE 57 3.022 -4.337 -1.458 485 HE1 PHE 57 HE2 PHE 57 0.564 -0.254 -0.206 486 HE2 PHE 57 HE1 PHE 57 2.468 -3.905 0.896 487 HZ PHE 57 HZ PHE 57 1.244 -1.866 1.528 488 H GLN 58 H GLN 58 3.242 -1.923 -6.719 489 HA GLN 58 HA GLN 58 4.912 -4.085 -7.567 490 HB2 GLN 58 HB2 GLN 58 3.601 -1.812 -9.090 491 HB3 GLN 58 HB3 GLN 58 4.592 -3.019 -9.907 492 HG2 GLN 58 HG2 GLN 58 3.055 -4.791 -9.191 493 HG3 GLN 58 HG3 GLN 58 2.073 -3.609 -8.323 494 HE21 GLN 58 HE21 GLN 58 0.886 -2.068 -9.540 495 HE22 GLN 58 HE22 GLN 58 0.498 -2.342 -11.197 496 H ASN 59 H ASN 59 5.339 -0.578 -7.517 497 HA ASN 59 HA ASN 59 7.799 -0.303 -8.832 498 HB2 ASN 59 HB2 ASN 59 6.107 1.515 -7.921 499 HB3 ASN 59 HB3 ASN 59 7.028 1.414 -6.429 500 HD21 ASN 59 HD21 ASN 59 6.979 2.539 -9.688 501 HD22 ASN 59 HD22 ASN 59 8.447 3.436 -9.631 502 H ARG 60 H ARG 60 7.047 -0.859 -5.407 503 HA ARG 60 HA ARG 60 9.664 -1.118 -4.358 504 HB2 ARG 60 HB2 ARG 60 6.943 -2.130 -3.444 505 HB3 ARG 60 HB3 ARG 60 8.407 -2.457 -2.522 506 HG2 ARG 60 HG2 ARG 60 7.315 0.282 -3.183 507 HG3 ARG 60 HG3 ARG 60 7.193 -0.529 -1.621 508 HD2 ARG 60 HD2 ARG 60 9.679 -0.556 -1.476 509 HD3 ARG 60 HD3 ARG 60 9.760 0.311 -3.013 510 HE ARG 60 HE ARG 60 8.905 2.242 -1.965 511 HH11 ARG 60 HH11 ARG 60 9.333 -0.325 0.311 512 HH12 ARG 60 HH12 ARG 60 9.394 0.741 1.664 513 HH21 ARG 60 HH21 ARG 60 9.064 3.598 -0.216 514 HH22 ARG 60 HH22 ARG 60 9.273 2.934 1.365 515 H ARG 61 H ARG 61 7.349 -3.649 -5.407 516 HA ARG 61 HA ARG 61 8.894 -5.904 -4.716 517 HB2 ARG 61 HB2 ARG 61 6.609 -5.640 -6.710 518 HB3 ARG 61 HB3 ARG 61 7.323 -7.188 -6.259 519 HG2 ARG 61 HG2 ARG 61 6.579 -6.937 -3.964 520 HG3 ARG 61 HG3 ARG 61 6.017 -5.293 -4.277 521 HD2 ARG 61 HD2 ARG 61 4.373 -6.242 -5.938 522 HD3 ARG 61 HD3 ARG 61 4.865 -7.863 -5.423 523 HE ARG 61 HE ARG 61 4.164 -6.657 -3.093 524 HH11 ARG 61 HH11 ARG 61 2.483 -7.070 -6.091 525 HH12 ARG 61 HH12 ARG 61 0.934 -7.072 -5.343 526 HH21 ARG 61 HH21 ARG 61 2.194 -6.658 -2.167 527 HH22 ARG 61 HH22 ARG 61 0.771 -6.847 -3.127 528 H ALA 62 H ALA 62 8.905 -3.920 -7.610 529 HA ALA 62 HA ALA 62 10.267 -5.623 -9.407 530 HB1 ALA 62 HB1 ALA 62 10.856 -3.563 -10.630 531 HB2 ALA 62 HB2 ALA 62 10.390 -2.590 -9.230 532 HB3 ALA 62 HB3 ALA 62 9.171 -3.519 -10.102 533 H LYS 63 H LYS 63 11.510 -3.261 -7.053 534 HA LYS 63 HA LYS 63 14.318 -3.881 -7.541 535 HB2 LYS 63 HB2 LYS 63 13.001 -2.052 -5.479 536 HB3 LYS 63 HB3 LYS 63 14.737 -2.145 -5.789 537 HG2 LYS 63 HG2 LYS 63 14.331 -1.367 -8.127 538 HG3 LYS 63 HG3 LYS 63 12.610 -1.205 -7.760 539 HD2 LYS 63 HD2 LYS 63 14.827 0.296 -6.297 540 HD3 LYS 63 HD3 LYS 63 13.928 0.954 -7.666 541 HE2 LYS 63 HE2 LYS 63 12.634 0.065 -5.060 542 HE3 LYS 63 HE3 LYS 63 13.104 1.727 -5.420 543 HZ1 LYS 63 HZ1 LYS 63 10.745 1.257 -5.866 544 HZ2 LYS 63 HZ2 LYS 63 11.201 0.145 -7.052 545 HZ3 LYS 63 HZ3 LYS 63 11.576 1.777 -7.241 546 H TRP 64 H TRP 64 11.865 -4.707 -5.174 547 HA TRP 64 HA TRP 64 13.529 -5.753 -3.108 548 HB2 TRP 64 HB2 TRP 64 11.271 -4.916 -2.620 549 HB3 TRP 64 HB3 TRP 64 10.554 -6.111 -3.692 550 HD1 TRP 64 HD1 TRP 64 12.181 -5.796 -0.197 551 HE1 TRP 64 HE1 TRP 64 11.549 -7.867 1.188 552 HE3 TRP 64 HE3 TRP 64 9.847 -8.545 -3.835 553 HZ2 TRP 64 HZ2 TRP 64 10.247 -10.339 0.805 554 HZ3 TRP 64 HZ3 TRP 64 8.936 -10.763 -3.243 555 HH2 TRP 64 HH2 TRP 64 9.136 -11.640 -0.965 556 H ARG 65 H ARG 65 11.992 -7.128 -5.964 557 HA ARG 65 HA ARG 65 12.050 -9.886 -5.305 558 HB2 ARG 65 HB2 ARG 65 10.685 -8.829 -7.124 559 HB3 ARG 65 HB3 ARG 65 12.147 -8.605 -8.073 560 HG2 ARG 65 HG2 ARG 65 12.421 -11.043 -8.251 561 HG3 ARG 65 HG3 ARG 65 11.001 -11.288 -7.224 562 HD2 ARG 65 HD2 ARG 65 9.613 -10.095 -8.932 563 HD3 ARG 65 HD3 ARG 65 11.042 -9.989 -9.971 564 HE ARG 65 HE ARG 65 10.878 -12.635 -9.504 565 HH11 ARG 65 HH11 ARG 65 8.454 -10.405 -10.559 566 HH12 ARG 65 HH12 ARG 65 7.617 -11.596 -11.487 567 HH21 ARG 65 HH21 ARG 65 9.815 -14.136 -10.697 568 HH22 ARG 65 HH22 ARG 65 8.391 -13.695 -11.567 569 H LYS 66 H LYS 66 14.475 -7.765 -6.765 570 HA LYS 66 HA LYS 66 16.547 -9.816 -6.419 571 HB2 LYS 66 HB2 LYS 66 15.673 -10.038 -8.789 572 HB3 LYS 66 HB3 LYS 66 16.170 -8.375 -9.087 573 HG2 LYS 66 HG2 LYS 66 18.546 -9.091 -8.505 574 HG3 LYS 66 HG3 LYS 66 17.957 -10.755 -8.483 575 HD2 LYS 66 HD2 LYS 66 18.968 -10.322 -10.639 576 HD3 LYS 66 HD3 LYS 66 17.223 -10.477 -10.875 577 HE2 LYS 66 HE2 LYS 66 17.012 -8.024 -11.001 578 HE3 LYS 66 HE3 LYS 66 18.741 -7.840 -10.681 579 HZ1 LYS 66 HZ1 LYS 66 18.252 -7.645 -13.019 580 HZ2 LYS 66 HZ2 LYS 66 17.545 -9.182 -13.043 581 HZ3 LYS 66 HZ3 LYS 66 19.203 -9.015 -12.735 582 H ARG 67 H ARG 67 17.438 -8.532 -4.780 583 HA ARG 67 HA ARG 67 18.350 -5.806 -5.374 584 HB2 ARG 67 HB2 ARG 67 17.311 -6.232 -3.168 585 HB3 ARG 67 HB3 ARG 67 18.541 -7.442 -2.813 586 HG2 ARG 67 HG2 ARG 67 20.289 -5.658 -2.910 587 HG3 ARG 67 HG3 ARG 67 19.020 -4.460 -3.196 588 HD2 ARG 67 HD2 ARG 67 19.353 -6.179 -0.708 589 HD3 ARG 67 HD3 ARG 67 19.695 -4.450 -0.844 590 HE ARG 67 HE ARG 67 17.030 -5.716 -0.897 591 HH11 ARG 67 HH11 ARG 67 18.907 -2.835 -0.579 592 HH12 ARG 67 HH12 ARG 67 17.550 -1.884 -0.096 593 HH21 ARG 67 HH21 ARG 67 15.324 -4.481 -0.265 594 HH22 ARG 67 HH22 ARG 67 15.556 -2.812 0.096 595 H GLU 68 H GLU 68 20.369 -5.391 -6.046 596 HA GLU 68 HA GLU 68 22.704 -6.868 -5.215 597 HB2 GLU 68 HB2 GLU 68 23.419 -7.486 -7.551 598 HB3 GLU 68 HB3 GLU 68 22.009 -8.375 -6.988 599 HG2 GLU 68 HG2 GLU 68 20.546 -6.853 -8.305 600 HG3 GLU 68 HG3 GLU 68 21.988 -6.023 -8.905 601 H ARG 69 H ARG 69 24.586 -5.990 -6.977 602 HA ARG 69 HA ARG 69 24.795 -3.155 -6.469 603 HB2 ARG 69 HB2 ARG 69 26.613 -4.961 -8.123 604 HB3 ARG 69 HB3 ARG 69 27.008 -3.347 -7.550 605 HG2 ARG 69 HG2 ARG 69 26.673 -5.861 -5.871 606 HG3 ARG 69 HG3 ARG 69 28.162 -4.976 -6.186 607 HD2 ARG 69 HD2 ARG 69 27.661 -4.243 -4.036 608 HD3 ARG 69 HD3 ARG 69 26.893 -2.980 -5.000 609 HE ARG 69 HE ARG 69 25.341 -5.284 -3.971 610 HH11 ARG 69 HH11 ARG 69 25.671 -1.846 -4.278 611 HH12 ARG 69 HH12 ARG 69 24.245 -1.538 -3.352 612 HH21 ARG 69 HH21 ARG 69 23.508 -4.839 -2.818 613 HH22 ARG 69 HH22 ARG 69 23.049 -3.193 -2.542 614 H PHE 70 H PHE 70 25.747 -1.790 -8.453 615 HA PHE 70 HA PHE 70 23.622 -1.401 -10.304 616 HB2 PHE 70 HB2 PHE 70 25.083 0.443 -9.509 617 HB3 PHE 70 HB3 PHE 70 26.446 -0.252 -10.382 618 HD1 PHE 70 HD2 PHE 70 23.000 1.148 -10.905 619 HD2 PHE 70 HD1 PHE 70 26.826 0.373 -12.664 620 HE1 PHE 70 HE2 PHE 70 22.337 2.414 -12.914 621 HE2 PHE 70 HE1 PHE 70 26.152 1.636 -14.670 622 HZ PHE 70 HZ PHE 70 23.911 2.656 -14.795 623 H GLY 71 H GLY 71 26.860 -2.846 -10.669 624 HA2 GLY 71 HA2 GLY 71 27.478 -4.587 -12.103 625 HA3 GLY 71 HA3 GLY 71 26.014 -4.349 -13.043 626 H GLN 72 H GLN 72 29.060 -4.463 -13.630 627 HA GLN 72 HA GLN 72 29.009 -2.498 -15.789 628 HB2 GLN 72 HB2 GLN 72 30.096 -1.438 -13.612 629 HB3 GLN 72 HB3 GLN 72 31.475 -2.454 -13.996 630 HG2 GLN 72 HG2 GLN 72 30.308 -0.281 -15.784 631 HG3 GLN 72 HG3 GLN 72 31.757 -0.139 -14.792 632 HE21 GLN 72 HE21 GLN 72 30.422 -1.419 -17.733 633 HE22 GLN 72 HE22 GLN 72 31.917 -1.896 -18.450 634 H MET 73 H MET 73 28.833 -4.471 -16.955 635 HA MET 73 HA MET 73 31.374 -5.573 -17.826 636 HB2 MET 73 HB2 MET 73 30.784 -7.105 -15.945 637 HB3 MET 73 HB3 MET 73 29.227 -7.436 -16.694 638 HG2 MET 73 HG2 MET 73 30.351 -8.502 -18.598 639 HG3 MET 73 HG3 MET 73 31.927 -8.130 -17.897 640 HE1 MET 73 HE1 MET 73 31.977 -10.442 -14.722 641 HE2 MET 73 HE2 MET 73 31.482 -8.749 -14.772 642 HE3 MET 73 HE3 MET 73 32.884 -9.286 -15.698 643 H GLN 74 H GLN 74 27.835 -6.168 -17.994 644 HA GLN 74 HA GLN 74 27.850 -5.413 -20.836 645 HB2 GLN 74 HB2 GLN 74 28.042 -7.886 -20.834 646 HB3 GLN 74 HB3 GLN 74 26.610 -8.016 -19.824 647 HG2 GLN 74 HG2 GLN 74 26.203 -8.537 -22.231 648 HG3 GLN 74 HG3 GLN 74 25.186 -7.243 -21.609 649 HE21 GLN 74 HE21 GLN 74 25.445 -5.146 -22.431 650 HE22 GLN 74 HE22 GLN 74 26.413 -4.800 -23.822 651 H GLN 75 H GLN 75 26.989 -3.500 -19.841 652 HA GLN 75 HA GLN 75 24.134 -3.603 -19.095 653 HB2 GLN 75 HB2 GLN 75 26.074 -1.242 -19.091 654 HB3 GLN 75 HB3 GLN 75 24.415 -1.205 -18.504 655 HG2 GLN 75 HG2 GLN 75 26.643 -2.898 -17.327 656 HG3 GLN 75 HG3 GLN 75 26.124 -1.343 -16.684 657 HE21 GLN 75 HE21 GLN 75 24.096 -1.224 -15.615 658 HE22 GLN 75 HE22 GLN 75 23.293 -2.634 -15.035 Start of MODEL 10 1 H1 SER 1 H1 SER 1 4.581 -16.611 -25.717 2 H2 SER 1 H2 SER 1 5.214 -15.327 -24.817 3 H3 SER 1 H3 SER 1 6.192 -16.138 -25.926 4 HA SER 1 HA SER 1 4.824 -15.373 -27.756 5 HB2 SER 1 HB2 SER 1 3.050 -13.681 -27.330 6 HB3 SER 1 HB3 SER 1 2.697 -15.201 -26.508 7 HG SER 1 HG SER 1 2.676 -12.911 -25.393 8 H HIS 2 H HIS 2 4.844 -12.970 -28.572 9 HA HIS 2 HA HIS 2 7.007 -11.391 -27.311 10 HB2 HIS 2 HB2 HIS 2 8.041 -11.039 -29.598 11 HB3 HIS 2 HB3 HIS 2 8.189 -12.679 -28.980 12 HD1 HIS 2 HD1 HIS 2 7.257 -14.537 -30.402 13 HD2 HIS 2 HD2 HIS 2 6.080 -10.781 -31.746 14 HE1 HIS 2 HE1 HIS 2 6.137 -14.934 -32.613 15 HE2 HIS 2 HE2 HIS 2 5.559 -12.639 -33.468 16 H MET 3 H MET 3 7.168 -9.146 -28.179 17 HA MET 3 HA MET 3 4.803 -8.021 -29.459 18 HB2 MET 3 HB2 MET 3 4.177 -8.306 -27.027 19 HB3 MET 3 HB3 MET 3 5.502 -7.234 -26.591 20 HG2 MET 3 HG2 MET 3 3.376 -6.045 -26.551 21 HG3 MET 3 HG3 MET 3 4.408 -5.397 -27.825 22 HE1 MET 3 HE1 MET 3 1.228 -7.603 -27.012 23 HE2 MET 3 HE2 MET 3 2.256 -8.754 -27.868 24 HE3 MET 3 HE3 MET 3 0.773 -8.166 -28.620 25 H SER 4 H SER 4 5.076 -5.846 -30.142 26 HA SER 4 HA SER 4 7.838 -4.933 -30.505 27 HB2 SER 4 HB2 SER 4 6.831 -3.356 -32.139 28 HB3 SER 4 HB3 SER 4 6.288 -5.005 -32.439 29 HG SER 4 HG SER 4 4.556 -3.539 -32.528 30 H ASN 5 H ASN 5 7.859 -2.262 -30.624 31 HA ASN 5 HA ASN 5 7.585 -1.187 -28.022 32 HB2 ASN 5 HB2 ASN 5 7.930 0.140 -30.737 33 HB3 ASN 5 HB3 ASN 5 7.834 1.080 -29.248 34 HD21 ASN 5 HD21 ASN 5 9.816 -1.040 -31.169 35 HD22 ASN 5 HD22 ASN 5 11.247 -0.875 -30.223 36 H LYS 6 H LYS 6 5.757 -0.847 -26.968 37 HA LYS 6 HA LYS 6 3.173 -0.748 -28.290 38 HB2 LYS 6 HB2 LYS 6 3.973 -0.810 -25.351 39 HB3 LYS 6 HB3 LYS 6 2.316 -0.942 -25.932 40 HG2 LYS 6 HG2 LYS 6 2.765 -3.056 -26.988 41 HG3 LYS 6 HG3 LYS 6 4.501 -2.895 -26.721 42 HD2 LYS 6 HD2 LYS 6 2.418 -3.196 -24.515 43 HD3 LYS 6 HD3 LYS 6 3.409 -4.509 -25.158 44 HE2 LYS 6 HE2 LYS 6 5.456 -3.240 -24.422 45 HE3 LYS 6 HE3 LYS 6 4.391 -2.053 -23.665 46 HZ1 LYS 6 HZ1 LYS 6 4.544 -4.937 -22.979 47 HZ2 LYS 6 HZ2 LYS 6 3.514 -3.808 -22.255 48 HZ3 LYS 6 HZ3 LYS 6 5.187 -3.663 -22.073 49 H GLY 7 H GLY 7 4.089 1.506 -29.171 50 HA2 GLY 7 HA2 GLY 7 3.530 3.721 -29.419 51 HA3 GLY 7 HA3 GLY 7 2.416 3.553 -28.080 52 H LYS 8 H LYS 8 3.429 3.537 -25.880 53 HA LYS 8 HA LYS 8 4.587 4.440 -24.184 54 HB2 LYS 8 HB2 LYS 8 6.868 4.897 -26.143 55 HB3 LYS 8 HB3 LYS 8 6.976 4.950 -24.385 56 HG2 LYS 8 HG2 LYS 8 6.560 2.572 -24.218 57 HG3 LYS 8 HG3 LYS 8 6.221 2.452 -25.946 58 HD2 LYS 8 HD2 LYS 8 8.916 3.240 -24.754 59 HD3 LYS 8 HD3 LYS 8 8.493 1.616 -25.290 60 HE2 LYS 8 HE2 LYS 8 9.781 2.611 -27.045 61 HE3 LYS 8 HE3 LYS 8 8.116 2.570 -27.607 62 HZ1 LYS 8 HZ1 LYS 8 9.332 4.664 -28.089 63 HZ2 LYS 8 HZ2 LYS 8 9.391 4.987 -26.429 64 HZ3 LYS 8 HZ3 LYS 8 7.903 4.897 -27.223 65 H LYS 9 H LYS 9 3.017 6.110 -24.137 66 HA LYS 9 HA LYS 9 4.149 8.776 -24.300 67 HB2 LYS 9 HB2 LYS 9 2.357 9.765 -25.673 68 HB3 LYS 9 HB3 LYS 9 3.240 8.550 -26.580 69 HG2 LYS 9 HG2 LYS 9 0.566 7.983 -25.263 70 HG3 LYS 9 HG3 LYS 9 0.708 8.627 -26.899 71 HD2 LYS 9 HD2 LYS 9 2.002 6.609 -27.562 72 HD3 LYS 9 HD3 LYS 9 1.827 5.970 -25.926 73 HE2 LYS 9 HE2 LYS 9 0.196 4.926 -27.407 74 HE3 LYS 9 HE3 LYS 9 -0.635 5.931 -26.221 75 HZ1 LYS 9 HZ1 LYS 9 -0.058 6.715 -29.031 76 HZ2 LYS 9 HZ2 LYS 9 -0.900 7.645 -27.897 77 HZ3 LYS 9 HZ3 LYS 9 -1.554 6.188 -28.448 78 H ARG 10 H ARG 10 3.060 6.830 -22.298 79 HA ARG 10 HA ARG 10 0.667 8.150 -21.205 80 HB2 ARG 10 HB2 ARG 10 2.169 5.684 -20.225 81 HB3 ARG 10 HB3 ARG 10 0.632 6.271 -19.594 82 HG2 ARG 10 HG2 ARG 10 -0.401 5.830 -21.823 83 HG3 ARG 10 HG3 ARG 10 1.138 5.156 -22.372 84 HD2 ARG 10 HD2 ARG 10 -0.378 3.354 -21.690 85 HD3 ARG 10 HD3 ARG 10 1.001 3.425 -20.589 86 HE ARG 10 HE ARG 10 -1.752 4.328 -20.000 87 HH11 ARG 10 HH11 ARG 10 1.397 3.461 -18.782 88 HH12 ARG 10 HH12 ARG 10 0.856 3.470 -17.142 89 HH21 ARG 10 HH21 ARG 10 -2.380 4.335 -17.889 90 HH22 ARG 10 HH22 ARG 10 -1.240 3.951 -16.644 91 H ARG 11 H ARG 11 0.927 9.825 -19.784 92 HA ARG 11 HA ARG 11 3.330 10.103 -18.138 93 HB2 ARG 11 HB2 ARG 11 2.253 12.227 -17.329 94 HB3 ARG 11 HB3 ARG 11 2.502 12.164 -19.070 95 HG2 ARG 11 HG2 ARG 11 0.133 11.708 -19.433 96 HG3 ARG 11 HG3 ARG 11 -0.150 11.623 -17.694 97 HD2 ARG 11 HD2 ARG 11 0.411 13.993 -17.457 98 HD3 ARG 11 HD3 ARG 11 0.809 14.100 -19.173 99 HE ARG 11 HE ARG 11 -1.596 13.579 -19.603 100 HH11 ARG 11 HH11 ARG 11 -0.759 14.981 -16.535 101 HH12 ARG 11 HH12 ARG 11 -2.289 15.769 -16.368 102 HH21 ARG 11 HH21 ARG 11 -3.542 14.612 -19.347 103 HH22 ARG 11 HH22 ARG 11 -3.830 15.573 -17.942 104 H ASN 12 H ASN 12 3.482 9.766 -15.950 105 HA ASN 12 HA ASN 12 1.484 8.007 -14.753 106 HB2 ASN 12 HB2 ASN 12 4.224 8.864 -13.754 107 HB3 ASN 12 HB3 ASN 12 3.215 7.640 -12.994 108 HD21 ASN 12 HD21 ASN 12 2.351 6.510 -15.614 109 HD22 ASN 12 HD22 ASN 12 3.721 5.647 -16.196 110 H ARG 13 H ARG 13 1.234 8.281 -12.219 111 HA ARG 13 HA ARG 13 0.821 11.001 -11.313 112 HB2 ARG 13 HB2 ARG 13 -1.684 10.819 -11.206 113 HB3 ARG 13 HB3 ARG 13 -1.043 10.868 -12.843 114 HG2 ARG 13 HG2 ARG 13 -1.241 8.286 -12.811 115 HG3 ARG 13 HG3 ARG 13 -2.234 8.505 -11.368 116 HD2 ARG 13 HD2 ARG 13 -3.689 8.318 -13.300 117 HD3 ARG 13 HD3 ARG 13 -3.757 9.982 -12.711 118 HE ARG 13 HE ARG 13 -1.950 10.339 -14.538 119 HH11 ARG 13 HH11 ARG 13 -4.755 8.331 -14.897 120 HH12 ARG 13 HH12 ARG 13 -4.730 8.440 -16.618 121 HH21 ARG 13 HH21 ARG 13 -1.944 10.467 -16.712 122 HH22 ARG 13 HH22 ARG 13 -3.143 9.641 -17.644 123 H THR 14 H THR 14 2.318 9.684 -9.804 124 HA THR 14 HA THR 14 0.698 8.726 -7.509 125 HB THR 14 HB THR 14 2.536 7.037 -6.974 126 HG1 THR 14 HG1 THR 14 4.196 7.706 -8.296 127 HG21 THR 14 HG21 THR 14 1.721 5.301 -8.518 128 HG22 THR 14 HG22 THR 14 1.001 6.538 -9.548 129 HG23 THR 14 HG23 THR 14 0.384 6.283 -7.913 130 H THR 15 H THR 15 1.081 11.044 -6.953 131 HA THR 15 HA THR 15 3.681 11.899 -6.046 132 HB THR 15 HB THR 15 0.921 13.086 -5.501 133 HG1 THR 15 HG1 THR 15 2.751 14.366 -7.181 134 HG21 THR 15 HG21 THR 15 2.519 13.854 -3.782 135 HG22 THR 15 HG22 THR 15 2.092 15.167 -4.880 136 HG23 THR 15 HG23 THR 15 3.650 14.354 -5.046 137 H PHE 16 H PHE 16 0.646 11.118 -4.310 138 HA PHE 16 HA PHE 16 0.094 10.403 -2.256 139 HB2 PHE 16 HB2 PHE 16 2.943 9.354 -2.010 140 HB3 PHE 16 HB3 PHE 16 1.585 8.901 -0.988 141 HD1 PHE 16 HD1 PHE 16 -0.569 8.064 -2.508 142 HD2 PHE 16 HD2 PHE 16 3.552 7.740 -3.591 143 HE1 PHE 16 HE1 PHE 16 -1.103 6.192 -4.008 144 HE2 PHE 16 HE2 PHE 16 3.003 5.870 -5.088 145 HZ PHE 16 HZ PHE 16 0.676 5.096 -5.300 146 H THR 17 H THR 17 0.206 10.895 0.031 147 HA THR 17 HA THR 17 1.676 13.398 0.644 148 HB THR 17 HB THR 17 0.043 13.858 2.369 149 HG1 THR 17 HG1 THR 17 -1.484 12.389 3.041 150 HG21 THR 17 HG21 THR 17 -1.441 12.814 -0.074 151 HG22 THR 17 HG22 THR 17 -0.717 14.416 0.084 152 HG23 THR 17 HG23 THR 17 -2.078 13.959 1.110 153 H SER 18 H SER 18 1.925 13.556 3.241 154 HA SER 18 HA SER 18 4.031 11.845 4.011 155 HB2 SER 18 HB2 SER 18 3.784 14.128 4.917 156 HB3 SER 18 HB3 SER 18 2.312 13.654 5.763 157 HG SER 18 HG SER 18 4.253 13.655 7.070 158 H TYR 19 H TYR 19 0.649 11.974 5.229 159 HA TYR 19 HA TYR 19 0.763 9.750 6.970 160 HB2 TYR 19 HB2 TYR 19 -1.051 11.425 7.067 161 HB3 TYR 19 HB3 TYR 19 -1.633 10.916 5.490 162 HD1 TYR 19 HD2 TYR 19 -1.404 9.960 9.074 163 HD2 TYR 19 HD1 TYR 19 -3.021 8.887 5.258 164 HE1 TYR 19 HE2 TYR 19 -2.885 8.320 10.155 165 HE2 TYR 19 HE1 TYR 19 -4.496 7.253 6.343 166 HH TYR 19 HH TYR 19 -5.093 7.183 9.640 167 H GLN 20 H GLN 20 0.014 9.968 3.503 168 HA GLN 20 HA GLN 20 -0.971 7.354 3.116 169 HB2 GLN 20 HB2 GLN 20 0.329 9.301 1.176 170 HB3 GLN 20 HB3 GLN 20 -0.352 7.752 0.669 171 HG2 GLN 20 HG2 GLN 20 -2.555 8.427 1.511 172 HG3 GLN 20 HG3 GLN 20 -1.888 9.961 2.061 173 HE21 GLN 20 HE21 GLN 20 -3.395 11.065 0.783 174 HE22 GLN 20 HE22 GLN 20 -3.245 11.167 -0.926 175 H LEU 21 H LEU 21 2.368 8.605 2.607 176 HA LEU 21 HA LEU 21 3.465 6.038 1.942 177 HB2 LEU 21 HB2 LEU 21 4.830 8.606 2.811 178 HB3 LEU 21 HB3 LEU 21 5.695 7.175 2.263 179 HG LEU 21 HG LEU 21 3.800 8.882 0.595 180 HD11 LEU 21 HD11 LEU 21 5.785 9.466 -0.702 181 HD12 LEU 21 HD12 LEU 21 6.799 8.499 0.375 182 HD13 LEU 21 HD13 LEU 21 5.974 9.937 0.988 183 HD21 LEU 21 HD21 LEU 21 5.339 6.393 -0.236 184 HD22 LEU 21 HD22 LEU 21 4.399 7.439 -1.306 185 HD23 LEU 21 HD23 LEU 21 3.588 6.520 -0.043 186 H GLU 22 H GLU 22 3.034 7.769 4.978 187 HA GLU 22 HA GLU 22 4.625 6.235 6.707 188 HB2 GLU 22 HB2 GLU 22 3.082 8.441 6.994 189 HB3 GLU 22 HB3 GLU 22 1.940 7.275 7.638 190 HG2 GLU 22 HG2 GLU 22 4.753 7.698 8.671 191 HG3 GLU 22 HG3 GLU 22 3.327 8.485 9.330 192 H GLU 23 H GLU 23 1.260 5.795 5.642 193 HA GLU 23 HA GLU 23 0.783 3.324 7.035 194 HB2 GLU 23 HB2 GLU 23 -0.706 4.851 4.882 195 HB3 GLU 23 HB3 GLU 23 -1.255 3.263 5.408 196 HG2 GLU 23 HG2 GLU 23 -0.899 5.641 7.259 197 HG3 GLU 23 HG3 GLU 23 -2.428 5.180 6.507 198 H LEU 24 H LEU 24 1.462 4.086 3.597 199 HA LEU 24 HA LEU 24 1.194 1.550 2.467 200 HB2 LEU 24 HB2 LEU 24 2.907 3.924 1.667 201 HB3 LEU 24 HB3 LEU 24 2.858 2.466 0.692 202 HG LEU 24 HG LEU 24 0.390 4.147 1.308 203 HD11 LEU 24 HD11 LEU 24 1.971 5.499 0.012 204 HD12 LEU 24 HD12 LEU 24 0.572 5.059 -0.965 205 HD13 LEU 24 HD13 LEU 24 2.108 4.216 -1.197 206 HD21 LEU 24 HD21 LEU 24 -0.104 1.808 0.738 207 HD22 LEU 24 HD22 LEU 24 0.835 1.957 -0.750 208 HD23 LEU 24 HD23 LEU 24 -0.644 2.899 -0.539 209 H GLU 25 H GLU 25 4.236 3.100 3.613 210 HA GLU 25 HA GLU 25 5.927 0.847 3.317 211 HB2 GLU 25 HB2 GLU 25 6.093 3.432 4.847 212 HB3 GLU 25 HB3 GLU 25 7.252 2.176 5.254 213 HG2 GLU 25 HG2 GLU 25 6.861 3.251 2.445 214 HG3 GLU 25 HG3 GLU 25 8.052 3.879 3.583 215 H LYS 26 H LYS 26 4.001 1.940 6.115 216 HA LYS 26 HA LYS 26 4.923 0.137 8.063 217 HB2 LYS 26 HB2 LYS 26 3.439 2.136 8.442 218 HB3 LYS 26 HB3 LYS 26 2.094 1.225 7.770 219 HG2 LYS 26 HG2 LYS 26 2.330 -0.422 9.634 220 HG3 LYS 26 HG3 LYS 26 3.614 0.581 10.324 221 HD2 LYS 26 HD2 LYS 26 0.699 1.375 9.919 222 HD3 LYS 26 HD3 LYS 26 1.487 1.039 11.461 223 HE2 LYS 26 HE2 LYS 26 2.908 3.019 11.194 224 HE3 LYS 26 HE3 LYS 26 2.234 3.318 9.595 225 HZ1 LYS 26 HZ1 LYS 26 1.231 4.762 11.184 226 HZ2 LYS 26 HZ2 LYS 26 0.774 3.471 12.168 227 HZ3 LYS 26 HZ3 LYS 26 0.068 3.662 10.641 228 H VAL 27 H VAL 27 2.334 -0.251 5.650 229 HA VAL 27 HA VAL 27 1.512 -2.888 6.417 230 HB VAL 27 HB VAL 27 1.082 -1.358 3.809 231 HG11 VAL 27 HG11 VAL 27 -0.775 -2.937 3.341 232 HG12 VAL 27 HG12 VAL 27 -0.320 -3.887 4.759 233 HG13 VAL 27 HG13 VAL 27 0.787 -3.762 3.390 234 HG21 VAL 27 HG21 VAL 27 -1.174 -0.868 4.686 235 HG22 VAL 27 HG22 VAL 27 0.073 -0.236 5.763 236 HG23 VAL 27 HG23 VAL 27 -0.785 -1.719 6.186 237 H PHE 28 H PHE 28 3.816 -1.600 4.023 238 HA PHE 28 HA PHE 28 4.317 -4.012 2.604 239 HB2 PHE 28 HB2 PHE 28 4.819 -1.799 1.641 240 HB3 PHE 28 HB3 PHE 28 6.050 -1.517 2.867 241 HD1 PHE 28 HD1 PHE 28 5.185 -4.001 0.166 242 HD2 PHE 28 HD2 PHE 28 8.300 -1.977 2.288 243 HE1 PHE 28 HE1 PHE 28 6.864 -5.035 -1.305 244 HE2 PHE 28 HE2 PHE 28 9.974 -3.015 0.812 245 HZ PHE 28 HZ PHE 28 9.260 -4.548 -0.986 246 H GLN 29 H GLN 29 5.947 -2.547 5.418 247 HA GLN 29 HA GLN 29 8.156 -4.410 5.404 248 HB2 GLN 29 HB2 GLN 29 7.332 -2.467 7.599 249 HB3 GLN 29 HB3 GLN 29 8.886 -3.282 7.465 250 HG2 GLN 29 HG2 GLN 29 7.787 -1.161 5.598 251 HG3 GLN 29 HG3 GLN 29 9.086 -0.957 6.765 252 HE21 GLN 29 HE21 GLN 29 9.087 -0.482 3.880 253 HE22 GLN 29 HE22 GLN 29 10.327 -1.484 3.221 254 H LYS 30 H LYS 30 4.951 -4.595 6.618 255 HA LYS 30 HA LYS 30 5.563 -6.799 8.492 256 HB2 LYS 30 HB2 LYS 30 2.916 -5.448 7.807 257 HB3 LYS 30 HB3 LYS 30 3.118 -6.725 9.007 258 HG2 LYS 30 HG2 LYS 30 4.595 -5.235 10.329 259 HG3 LYS 30 HG3 LYS 30 4.364 -3.958 9.127 260 HD2 LYS 30 HD2 LYS 30 1.907 -4.002 9.615 261 HD3 LYS 30 HD3 LYS 30 2.202 -5.209 10.871 262 HE2 LYS 30 HE2 LYS 30 3.625 -3.566 12.079 263 HE3 LYS 30 HE3 LYS 30 3.272 -2.364 10.833 264 HZ1 LYS 30 HZ1 LYS 30 1.835 -2.033 12.697 265 HZ2 LYS 30 HZ2 LYS 30 1.323 -3.642 12.669 266 HZ3 LYS 30 HZ3 LYS 30 0.902 -2.602 11.405 267 H THR 31 H THR 31 3.650 -6.161 5.549 268 HA THR 31 HA THR 31 4.172 -8.885 4.587 269 HB THR 31 HB THR 31 1.903 -9.113 5.388 270 HG1 THR 31 HG1 THR 31 1.239 -10.041 3.594 271 HG21 THR 31 HG21 THR 31 1.209 -6.734 5.460 272 HG22 THR 31 HG22 THR 31 0.026 -7.730 4.610 273 HG23 THR 31 HG23 THR 31 1.135 -6.706 3.697 274 H HIS 32 H HIS 32 5.157 -8.752 2.688 275 HA HIS 32 HA HIS 32 5.391 -6.289 1.230 276 HB2 HIS 32 HB2 HIS 32 6.379 -9.071 0.470 277 HB3 HIS 32 HB3 HIS 32 6.930 -7.545 -0.226 278 HD1 HIS 32 HD1 HIS 32 7.428 -9.797 2.675 279 HD2 HIS 32 HD2 HIS 32 8.536 -5.943 1.565 280 HE1 HIS 32 HE1 HIS 32 9.174 -9.094 4.337 281 HE2 HIS 32 HE2 HIS 32 9.739 -6.722 3.722 282 H TYR 33 H TYR 33 3.168 -8.859 1.111 283 HA TYR 33 HA TYR 33 1.976 -7.875 -1.403 284 HB2 TYR 33 HB2 TYR 33 1.316 -10.386 -1.805 285 HB3 TYR 33 HB3 TYR 33 2.926 -9.845 -2.240 286 HD1 TYR 33 HD1 TYR 33 1.005 -11.837 0.270 287 HD2 TYR 33 HD2 TYR 33 4.894 -10.771 -1.151 288 HE1 TYR 33 HE1 TYR 33 1.989 -13.635 1.623 289 HE2 TYR 33 HE2 TYR 33 5.881 -12.577 0.200 290 HH TYR 33 HH TYR 33 4.045 -15.044 1.617 291 HA PRO 34 HA PRO 34 -1.254 -7.923 2.010 292 HB2 PRO 34 HB2 PRO 34 -2.279 -5.426 1.533 293 HB3 PRO 34 HB3 PRO 34 -0.856 -5.705 2.545 294 HG2 PRO 34 HG2 PRO 34 -0.990 -4.849 -0.341 295 HG3 PRO 34 HG3 PRO 34 0.029 -4.207 0.965 296 HD2 PRO 34 HD2 PRO 34 0.967 -5.984 -0.883 297 HD3 PRO 34 HD3 PRO 34 1.573 -5.945 0.787 298 H ASP 35 H ASP 35 -3.265 -8.734 1.717 299 HA ASP 35 HA ASP 35 -4.372 -9.086 -0.952 300 HB2 ASP 35 HB2 ASP 35 -5.326 -10.063 1.771 301 HB3 ASP 35 HB3 ASP 35 -6.056 -10.525 0.236 302 H VAL 36 H VAL 36 -6.983 -9.081 -0.876 303 HA VAL 36 HA VAL 36 -7.666 -6.479 -1.465 304 HB VAL 36 HB VAL 36 -8.815 -8.445 -2.386 305 HG11 VAL 36 HG11 VAL 36 -9.044 -9.828 -0.367 306 HG12 VAL 36 HG12 VAL 36 -10.599 -9.636 -1.180 307 HG13 VAL 36 HG13 VAL 36 -10.249 -8.709 0.284 308 HG21 VAL 36 HG21 VAL 36 -9.902 -6.256 -2.637 309 HG22 VAL 36 HG22 VAL 36 -10.763 -6.484 -1.111 310 HG23 VAL 36 HG23 VAL 36 -11.109 -7.536 -2.487 311 H TYR 37 H TYR 37 -8.370 -8.155 1.615 312 HA TYR 37 HA TYR 37 -10.105 -6.124 2.662 313 HB2 TYR 37 HB2 TYR 37 -10.095 -8.548 3.377 314 HB3 TYR 37 HB3 TYR 37 -8.582 -8.252 4.222 315 HD1 TYR 37 HD2 TYR 37 -12.182 -7.323 4.114 316 HD2 TYR 37 HD1 TYR 37 -8.601 -7.287 6.449 317 HE1 TYR 37 HE2 TYR 37 -13.478 -6.638 6.089 318 HE2 TYR 37 HE1 TYR 37 -9.896 -6.606 8.427 319 HH TYR 37 HH TYR 37 -12.124 -5.405 8.864 320 H ALA 38 H ALA 38 -6.650 -6.848 3.071 321 HA ALA 38 HA ALA 38 -5.979 -4.738 4.842 322 HB1 ALA 38 HB1 ALA 38 -4.241 -6.104 2.758 323 HB2 ALA 38 HB2 ALA 38 -4.482 -6.647 4.420 324 HB3 ALA 38 HB3 ALA 38 -3.655 -5.120 4.103 325 H ARG 39 H ARG 39 -6.386 -4.865 1.335 326 HA ARG 39 HA ARG 39 -5.352 -2.253 0.726 327 HB2 ARG 39 HB2 ARG 39 -7.262 -4.015 -0.860 328 HB3 ARG 39 HB3 ARG 39 -6.451 -2.581 -1.482 329 HG2 ARG 39 HG2 ARG 39 -5.074 -5.117 -0.555 330 HG3 ARG 39 HG3 ARG 39 -5.391 -4.672 -2.233 331 HD2 ARG 39 HD2 ARG 39 -3.961 -2.651 -1.927 332 HD3 ARG 39 HD3 ARG 39 -3.594 -3.193 -0.285 333 HE ARG 39 HE ARG 39 -2.503 -5.126 -1.225 334 HH11 ARG 39 HH11 ARG 39 -3.196 -2.644 -3.562 335 HH12 ARG 39 HH12 ARG 39 -1.980 -3.211 -4.647 336 HH21 ARG 39 HH21 ARG 39 -1.006 -5.830 -2.653 337 HH22 ARG 39 HH22 ARG 39 -0.771 -5.003 -4.151 338 H GLU 40 H GLU 40 -8.551 -3.526 1.609 339 HA GLU 40 HA GLU 40 -10.120 -1.249 1.060 340 HB2 GLU 40 HB2 GLU 40 -10.508 -3.308 3.282 341 HB3 GLU 40 HB3 GLU 40 -11.718 -2.131 2.775 342 HG2 GLU 40 HG2 GLU 40 -10.641 -4.469 1.178 343 HG3 GLU 40 HG3 GLU 40 -12.263 -4.277 1.831 344 H GLN 41 H GLN 41 -8.689 -2.268 4.183 345 HA GLN 41 HA GLN 41 -9.251 0.039 5.670 346 HB2 GLN 41 HB2 GLN 41 -6.920 -1.891 6.013 347 HB3 GLN 41 HB3 GLN 41 -7.515 -0.775 7.242 348 HG2 GLN 41 HG2 GLN 41 -9.026 -3.135 6.074 349 HG3 GLN 41 HG3 GLN 41 -8.295 -3.051 7.673 350 HE21 GLN 41 HE21 GLN 41 -9.246 -1.613 9.232 351 HE22 GLN 41 HE22 GLN 41 -10.899 -1.144 9.098 352 H LEU 42 H LEU 42 -6.300 -0.785 3.840 353 HA LEU 42 HA LEU 42 -4.717 1.450 4.464 354 HB2 LEU 42 HB2 LEU 42 -3.888 -0.635 3.421 355 HB3 LEU 42 HB3 LEU 42 -4.754 -0.253 1.946 356 HG LEU 42 HG LEU 42 -3.251 1.638 1.495 357 HD11 LEU 42 HD11 LEU 42 -1.836 0.925 4.080 358 HD12 LEU 42 HD12 LEU 42 -2.779 2.386 3.767 359 HD13 LEU 42 HD13 LEU 42 -1.281 2.102 2.885 360 HD21 LEU 42 HD21 LEU 42 -2.601 -0.580 0.662 361 HD22 LEU 42 HD22 LEU 42 -1.709 -0.900 2.152 362 HD23 LEU 42 HD23 LEU 42 -1.178 0.382 1.062 363 H ALA 43 H ALA 43 -6.749 0.931 1.546 364 HA ALA 43 HA ALA 43 -6.228 3.449 0.349 365 HB1 ALA 43 HB1 ALA 43 -6.965 1.481 -0.934 366 HB2 ALA 43 HB2 ALA 43 -8.009 2.871 -1.233 367 HB3 ALA 43 HB3 ALA 43 -8.551 1.569 -0.169 368 H MET 44 H MET 44 -8.810 2.441 2.597 369 HA MET 44 HA MET 44 -10.478 4.743 2.258 370 HB2 MET 44 HB2 MET 44 -10.293 2.696 4.494 371 HB3 MET 44 HB3 MET 44 -11.471 4.002 4.506 372 HG2 MET 44 HG2 MET 44 -12.501 3.152 2.477 373 HG3 MET 44 HG3 MET 44 -11.263 1.899 2.338 374 HE1 MET 44 HE1 MET 44 -14.382 1.170 2.239 375 HE2 MET 44 HE2 MET 44 -14.404 -0.247 3.289 376 HE3 MET 44 HE3 MET 44 -13.083 -0.020 2.143 377 H ARG 45 H ARG 45 -7.920 3.989 4.662 378 HA ARG 45 HA ARG 45 -8.120 6.414 6.167 379 HB2 ARG 45 HB2 ARG 45 -5.692 4.602 5.795 380 HB3 ARG 45 HB3 ARG 45 -5.875 5.826 7.051 381 HG2 ARG 45 HG2 ARG 45 -7.712 4.549 8.058 382 HG3 ARG 45 HG3 ARG 45 -7.606 3.347 6.768 383 HD2 ARG 45 HD2 ARG 45 -5.210 2.931 7.486 384 HD3 ARG 45 HD3 ARG 45 -5.521 3.964 8.885 385 HE ARG 45 HE ARG 45 -7.497 2.126 9.054 386 HH11 ARG 45 HH11 ARG 45 -4.059 1.768 8.681 387 HH12 ARG 45 HH12 ARG 45 -4.030 0.268 9.542 388 HH21 ARG 45 HH21 ARG 45 -7.396 0.201 10.158 389 HH22 ARG 45 HH22 ARG 45 -5.880 -0.605 10.347 390 H THR 46 H THR 46 -6.090 5.433 3.424 391 HA THR 46 HA THR 46 -4.552 7.911 3.376 392 HB THR 46 HB THR 46 -3.297 6.860 1.510 393 HG1 THR 46 HG1 THR 46 -4.357 4.370 1.648 394 HG21 THR 46 HG21 THR 46 -3.717 4.949 3.849 395 HG22 THR 46 HG22 THR 46 -2.585 6.306 3.815 396 HG23 THR 46 HG23 THR 46 -2.345 4.932 2.734 397 H ASP 47 H ASP 47 -7.535 7.059 2.090 398 HA ASP 47 HA ASP 47 -8.937 7.807 0.484 399 HB2 ASP 47 HB2 ASP 47 -7.064 10.210 0.494 400 HB3 ASP 47 HB3 ASP 47 -8.606 10.176 -0.359 401 H LEU 48 H LEU 48 -6.709 6.101 -0.322 402 HA LEU 48 HA LEU 48 -6.135 6.881 -3.099 403 HB2 LEU 48 HB2 LEU 48 -5.120 4.589 -1.381 404 HB3 LEU 48 HB3 LEU 48 -4.673 4.816 -3.067 405 HG LEU 48 HG LEU 48 -4.049 6.771 -0.814 406 HD11 LEU 48 HD11 LEU 48 -2.727 4.722 -0.592 407 HD12 LEU 48 HD12 LEU 48 -1.707 6.072 -1.088 408 HD13 LEU 48 HD13 LEU 48 -2.196 4.855 -2.272 409 HD21 LEU 48 HD21 LEU 48 -3.217 6.819 -3.733 410 HD22 LEU 48 HD22 LEU 48 -2.672 7.941 -2.484 411 HD23 LEU 48 HD23 LEU 48 -4.366 7.912 -2.958 412 H THR 49 H THR 49 -6.300 5.187 -4.784 413 HA THR 49 HA THR 49 -8.654 3.394 -4.508 414 HB THR 49 HB THR 49 -7.364 4.543 -7.034 415 HG1 THR 49 HG1 THR 49 -10.011 5.104 -6.252 416 HG21 THR 49 HG21 THR 49 -9.874 2.838 -6.761 417 HG22 THR 49 HG22 THR 49 -8.356 2.325 -7.504 418 HG23 THR 49 HG23 THR 49 -9.316 3.606 -8.249 419 H GLU 50 H GLU 50 -8.442 1.220 -5.159 420 HA GLU 50 HA GLU 50 -6.312 -0.298 -4.461 421 HB2 GLU 50 HB2 GLU 50 -8.516 -1.228 -4.965 422 HB3 GLU 50 HB3 GLU 50 -8.315 -0.871 -6.673 423 HG2 GLU 50 HG2 GLU 50 -8.020 -3.228 -6.355 424 HG3 GLU 50 HG3 GLU 50 -6.467 -2.531 -6.793 425 H ALA 51 H ALA 51 -6.823 0.921 -7.794 426 HA ALA 51 HA ALA 51 -4.633 -0.423 -9.000 427 HB1 ALA 51 HB1 ALA 51 -5.020 1.058 -10.916 428 HB2 ALA 51 HB2 ALA 51 -6.057 2.087 -9.922 429 HB3 ALA 51 HB3 ALA 51 -6.542 0.430 -10.280 430 H ARG 52 H ARG 52 -4.879 2.835 -7.545 431 HA ARG 52 HA ARG 52 -2.239 3.696 -8.326 432 HB2 ARG 52 HB2 ARG 52 -4.256 5.202 -7.738 433 HB3 ARG 52 HB3 ARG 52 -3.876 4.880 -6.050 434 HG2 ARG 52 HG2 ARG 52 -1.606 5.851 -6.400 435 HG3 ARG 52 HG3 ARG 52 -2.036 6.207 -8.074 436 HD2 ARG 52 HD2 ARG 52 -3.947 7.627 -7.143 437 HD3 ARG 52 HD3 ARG 52 -3.208 7.419 -5.550 438 HE ARG 52 HE ARG 52 -1.695 8.585 -7.795 439 HH11 ARG 52 HH11 ARG 52 -2.830 8.901 -4.543 440 HH12 ARG 52 HH12 ARG 52 -2.111 10.452 -4.337 441 HH21 ARG 52 HH21 ARG 52 -0.792 10.565 -7.509 442 HH22 ARG 52 HH22 ARG 52 -0.975 11.387 -6.000 443 H VAL 53 H VAL 53 -3.633 2.262 -5.400 444 HA VAL 53 HA VAL 53 -1.367 2.162 -3.718 445 HB VAL 53 HB VAL 53 -3.685 0.181 -3.968 446 HG11 VAL 53 HG11 VAL 53 -1.831 -0.909 -2.791 447 HG12 VAL 53 HG12 VAL 53 -3.135 -0.552 -1.660 448 HG13 VAL 53 HG13 VAL 53 -1.690 0.463 -1.688 449 HG21 VAL 53 HG21 VAL 53 -4.677 1.364 -2.043 450 HG22 VAL 53 HG22 VAL 53 -4.442 2.457 -3.407 451 HG23 VAL 53 HG23 VAL 53 -3.328 2.506 -2.039 452 H GLN 54 H GLN 54 -2.545 -0.072 -6.218 453 HA GLN 54 HA GLN 54 -0.639 -2.096 -6.059 454 HB2 GLN 54 HB2 GLN 54 -2.506 -1.139 -8.209 455 HB3 GLN 54 HB3 GLN 54 -1.225 -2.243 -8.694 456 HG2 GLN 54 HG2 GLN 54 -3.179 -2.830 -6.456 457 HG3 GLN 54 HG3 GLN 54 -3.416 -3.334 -8.128 458 HE21 GLN 54 HE21 GLN 54 -2.201 -5.028 -8.943 459 HE22 GLN 54 HE22 GLN 54 -1.206 -6.033 -7.956 460 H VAL 55 H VAL 55 -0.507 0.857 -8.126 461 HA VAL 55 HA VAL 55 1.825 0.329 -9.552 462 HB VAL 55 HB VAL 55 0.983 3.078 -8.527 463 HG11 VAL 55 HG11 VAL 55 2.763 2.339 -10.888 464 HG12 VAL 55 HG12 VAL 55 3.292 3.099 -9.385 465 HG13 VAL 55 HG13 VAL 55 2.224 3.972 -10.482 466 HG21 VAL 55 HG21 VAL 55 -0.852 2.012 -9.756 467 HG22 VAL 55 HG22 VAL 55 0.221 1.677 -11.115 468 HG23 VAL 55 HG23 VAL 55 -0.179 3.345 -10.696 469 H TRP 56 H TRP 56 1.560 1.916 -6.373 470 HA TRP 56 HA TRP 56 4.272 2.429 -5.859 471 HB2 TRP 56 HB2 TRP 56 2.275 3.306 -4.563 472 HB3 TRP 56 HB3 TRP 56 2.134 1.727 -3.802 473 HD1 TRP 56 HD1 TRP 56 4.369 4.863 -3.818 474 HE1 TRP 56 HE1 TRP 56 5.797 4.868 -1.688 475 HE3 TRP 56 HE3 TRP 56 3.224 0.197 -2.051 476 HZ2 TRP 56 HZ2 TRP 56 6.373 3.151 0.447 477 HZ3 TRP 56 HZ3 TRP 56 4.273 -0.548 0.048 478 HH2 TRP 56 HH2 TRP 56 5.815 0.899 1.269 479 H PHE 57 H PHE 57 2.281 -0.409 -4.959 480 HA PHE 57 HA PHE 57 4.417 -1.937 -3.827 481 HB2 PHE 57 HB2 PHE 57 1.567 -2.602 -4.607 482 HB3 PHE 57 HB3 PHE 57 2.668 -3.884 -4.111 483 HD1 PHE 57 HD1 PHE 57 3.756 -3.738 -1.808 484 HD2 PHE 57 HD2 PHE 57 0.468 -1.247 -2.936 485 HE1 PHE 57 HE1 PHE 57 3.298 -3.262 0.560 486 HE2 PHE 57 HE2 PHE 57 0.024 -0.769 -0.565 487 HZ PHE 57 HZ PHE 57 1.436 -1.774 1.186 488 H GLN 58 H GLN 58 3.444 -1.499 -7.176 489 HA GLN 58 HA GLN 58 4.514 -3.947 -8.200 490 HB2 GLN 58 HB2 GLN 58 4.169 -1.287 -9.641 491 HB3 GLN 58 HB3 GLN 58 4.582 -2.805 -10.419 492 HG2 GLN 58 HG2 GLN 58 1.953 -1.955 -9.221 493 HG3 GLN 58 HG3 GLN 58 2.297 -2.505 -10.854 494 HE21 GLN 58 HE21 GLN 58 1.513 -3.451 -7.627 495 HE22 GLN 58 HE22 GLN 58 1.284 -5.128 -7.950 496 H ASN 59 H ASN 59 5.857 -0.629 -7.965 497 HA ASN 59 HA ASN 59 8.509 -1.276 -8.809 498 HB2 ASN 59 HB2 ASN 59 7.575 1.043 -7.059 499 HB3 ASN 59 HB3 ASN 59 9.147 0.929 -7.849 500 HD21 ASN 59 HD21 ASN 59 5.777 1.613 -8.280 501 HD22 ASN 59 HD22 ASN 59 5.893 2.162 -9.910 502 H ARG 60 H ARG 60 6.913 -1.255 -5.670 503 HA ARG 60 HA ARG 60 9.192 -1.375 -4.000 504 HB2 ARG 60 HB2 ARG 60 6.364 -1.226 -3.644 505 HB3 ARG 60 HB3 ARG 60 6.859 -2.660 -2.767 506 HG2 ARG 60 HG2 ARG 60 6.818 -0.730 -1.293 507 HG3 ARG 60 HG3 ARG 60 8.469 -1.330 -1.464 508 HD2 ARG 60 HD2 ARG 60 8.967 0.473 -3.069 509 HD3 ARG 60 HD3 ARG 60 7.303 1.060 -2.936 510 HE ARG 60 HE ARG 60 8.386 0.991 -0.359 511 HH11 ARG 60 HH11 ARG 60 8.948 2.751 -3.296 512 HH12 ARG 60 HH12 ARG 60 9.493 4.161 -2.458 513 HH21 ARG 60 HH21 ARG 60 9.060 2.786 0.670 514 HH22 ARG 60 HH22 ARG 60 9.558 4.179 -0.226 515 H ARG 61 H ARG 61 7.095 -3.972 -5.274 516 HA ARG 61 HA ARG 61 8.632 -6.091 -4.007 517 HB2 ARG 61 HB2 ARG 61 6.382 -6.260 -6.044 518 HB3 ARG 61 HB3 ARG 61 7.043 -7.618 -5.129 519 HG2 ARG 61 HG2 ARG 61 6.227 -6.651 -3.035 520 HG3 ARG 61 HG3 ARG 61 5.667 -5.207 -3.886 521 HD2 ARG 61 HD2 ARG 61 4.594 -8.033 -4.174 522 HD3 ARG 61 HD3 ARG 61 3.768 -6.651 -3.447 523 HE ARG 61 HE ARG 61 4.434 -6.032 -6.117 524 HH11 ARG 61 HH11 ARG 61 2.188 -8.005 -4.356 525 HH12 ARG 61 HH12 ARG 61 1.089 -8.107 -5.684 526 HH21 ARG 61 HH21 ARG 61 3.042 -6.219 -7.787 527 HH22 ARG 61 HH22 ARG 61 1.576 -7.118 -7.604 528 H ALA 62 H ALA 62 8.595 -4.509 -7.143 529 HA ALA 62 HA ALA 62 10.182 -6.374 -8.603 530 HB1 ALA 62 HB1 ALA 62 8.960 -4.542 -9.709 531 HB2 ALA 62 HB2 ALA 62 10.676 -4.483 -10.113 532 HB3 ALA 62 HB3 ALA 62 10.007 -3.354 -8.929 533 H LYS 63 H LYS 63 11.026 -3.566 -6.582 534 HA LYS 63 HA LYS 63 13.874 -3.872 -6.729 535 HB2 LYS 63 HB2 LYS 63 12.078 -2.331 -4.817 536 HB3 LYS 63 HB3 LYS 63 13.838 -2.279 -4.729 537 HG2 LYS 63 HG2 LYS 63 13.918 -1.331 -7.015 538 HG3 LYS 63 HG3 LYS 63 12.154 -1.380 -7.092 539 HD2 LYS 63 HD2 LYS 63 12.989 0.888 -6.546 540 HD3 LYS 63 HD3 LYS 63 11.997 0.229 -5.241 541 HE2 LYS 63 HE2 LYS 63 14.061 -0.370 -3.994 542 HE3 LYS 63 HE3 LYS 63 15.044 0.292 -5.301 543 HZ1 LYS 63 HZ1 LYS 63 14.807 1.822 -3.444 544 HZ2 LYS 63 HZ2 LYS 63 13.130 1.834 -3.634 545 HZ3 LYS 63 HZ3 LYS 63 14.122 2.467 -4.849 546 H TRP 64 H TRP 64 11.374 -5.121 -4.559 547 HA TRP 64 HA TRP 64 12.990 -6.237 -2.523 548 HB2 TRP 64 HB2 TRP 64 10.492 -5.994 -2.418 549 HB3 TRP 64 HB3 TRP 64 10.332 -7.284 -3.598 550 HD1 TRP 64 HD1 TRP 64 11.110 -6.686 0.110 551 HE1 TRP 64 HE1 TRP 64 10.961 -8.923 1.368 552 HE3 TRP 64 HE3 TRP 64 10.604 -9.852 -3.885 553 HZ2 TRP 64 HZ2 TRP 64 10.667 -11.659 0.765 554 HZ3 TRP 64 HZ3 TRP 64 10.396 -12.270 -3.458 555 HH2 TRP 64 HH2 TRP 64 10.428 -13.155 -1.176 556 H ARG 65 H ARG 65 11.996 -7.491 -5.694 557 HA ARG 65 HA ARG 65 13.643 -9.902 -5.468 558 HB2 ARG 65 HB2 ARG 65 11.983 -8.818 -7.783 559 HB3 ARG 65 HB3 ARG 65 12.845 -10.358 -7.800 560 HG2 ARG 65 HG2 ARG 65 11.452 -11.167 -5.929 561 HG3 ARG 65 HG3 ARG 65 10.596 -9.624 -5.893 562 HD2 ARG 65 HD2 ARG 65 9.723 -10.045 -8.158 563 HD3 ARG 65 HD3 ARG 65 10.618 -11.570 -8.231 564 HE ARG 65 HE ARG 65 8.936 -11.561 -5.955 565 HH11 ARG 65 HH11 ARG 65 8.695 -11.879 -9.405 566 HH12 ARG 65 HH12 ARG 65 7.213 -12.758 -9.314 567 HH21 ARG 65 HH21 ARG 65 7.056 -12.706 -5.882 568 HH22 ARG 65 HH22 ARG 65 6.291 -13.221 -7.344 569 H LYS 66 H LYS 66 15.141 -10.369 -7.431 570 HA LYS 66 HA LYS 66 17.196 -8.316 -7.316 571 HB2 LYS 66 HB2 LYS 66 18.699 -10.024 -8.239 572 HB3 LYS 66 HB3 LYS 66 17.806 -10.633 -6.853 573 HG2 LYS 66 HG2 LYS 66 16.298 -11.874 -8.346 574 HG3 LYS 66 HG3 LYS 66 17.146 -11.241 -9.757 575 HD2 LYS 66 HD2 LYS 66 18.494 -12.935 -7.614 576 HD3 LYS 66 HD3 LYS 66 17.747 -13.621 -9.055 577 HE2 LYS 66 HE2 LYS 66 20.115 -13.459 -9.454 578 HE3 LYS 66 HE3 LYS 66 19.326 -12.246 -10.454 579 HZ1 LYS 66 HZ1 LYS 66 20.008 -10.545 -8.904 580 HZ2 LYS 66 HZ2 LYS 66 21.355 -11.439 -9.380 581 HZ3 LYS 66 HZ3 LYS 66 20.671 -11.697 -7.857 582 H ARG 67 H ARG 67 14.823 -9.114 -9.661 583 HA ARG 67 HA ARG 67 16.383 -7.793 -11.816 584 HB2 ARG 67 HB2 ARG 67 14.507 -10.174 -12.075 585 HB3 ARG 67 HB3 ARG 67 15.073 -9.230 -13.454 586 HG2 ARG 67 HG2 ARG 67 17.417 -9.822 -12.872 587 HG3 ARG 67 HG3 ARG 67 16.820 -10.813 -11.538 588 HD2 ARG 67 HD2 ARG 67 15.658 -12.283 -13.123 589 HD3 ARG 67 HD3 ARG 67 16.161 -11.257 -14.473 590 HE ARG 67 HE ARG 67 18.449 -12.108 -13.066 591 HH11 ARG 67 HH11 ARG 67 16.043 -13.449 -15.181 592 HH12 ARG 67 HH12 ARG 67 17.103 -14.692 -15.741 593 HH21 ARG 67 HH21 ARG 67 19.764 -13.692 -13.828 594 HH22 ARG 67 HH22 ARG 67 19.172 -14.830 -14.983 595 H GLU 68 H GLU 68 15.507 -6.097 -12.749 596 HA GLU 68 HA GLU 68 12.749 -5.230 -12.336 597 HB2 GLU 68 HB2 GLU 68 14.950 -4.031 -14.090 598 HB3 GLU 68 HB3 GLU 68 13.463 -3.227 -13.594 599 HG2 GLU 68 HG2 GLU 68 14.208 -3.112 -11.303 600 HG3 GLU 68 HG3 GLU 68 15.598 -4.138 -11.641 601 H ARG 69 H ARG 69 14.867 -6.054 -15.087 602 HA ARG 69 HA ARG 69 12.585 -6.880 -16.768 603 HB2 ARG 69 HB2 ARG 69 15.564 -6.627 -17.432 604 HB3 ARG 69 HB3 ARG 69 14.329 -7.154 -18.566 605 HG2 ARG 69 HG2 ARG 69 14.738 -4.901 -19.127 606 HG3 ARG 69 HG3 ARG 69 13.226 -4.860 -18.224 607 HD2 ARG 69 HD2 ARG 69 14.444 -4.096 -16.212 608 HD3 ARG 69 HD3 ARG 69 15.973 -4.182 -17.097 609 HE ARG 69 HE ARG 69 14.116 -2.496 -18.434 610 HH11 ARG 69 HH11 ARG 69 16.302 -2.455 -15.730 611 HH12 ARG 69 HH12 ARG 69 16.459 -0.738 -15.770 612 HH21 ARG 69 HH21 ARG 69 14.344 -0.324 -18.450 613 HH22 ARG 69 HH22 ARG 69 15.356 0.457 -17.289 614 H PHE 70 H PHE 70 12.042 -9.031 -16.816 615 HA PHE 70 HA PHE 70 13.169 -10.920 -15.078 616 HB2 PHE 70 HB2 PHE 70 10.839 -11.052 -15.852 617 HB3 PHE 70 HB3 PHE 70 11.378 -11.412 -17.490 618 HD1 PHE 70 HD2 PHE 70 11.697 -12.742 -13.979 619 HD2 PHE 70 HD1 PHE 70 11.491 -13.691 -18.149 620 HE1 PHE 70 HE2 PHE 70 11.694 -15.145 -13.438 621 HE2 PHE 70 HE1 PHE 70 11.493 -16.090 -17.596 622 HZ PHE 70 HZ PHE 70 11.593 -16.818 -15.244 623 H GLY 71 H GLY 71 13.583 -10.694 -18.627 624 HA2 GLY 71 HA2 GLY 71 16.235 -11.524 -18.738 625 HA3 GLY 71 HA3 GLY 71 15.269 -12.990 -18.885 626 H GLN 72 H GLN 72 16.032 -9.884 -20.375 627 HA GLN 72 HA GLN 72 15.317 -10.881 -23.029 628 HB2 GLN 72 HB2 GLN 72 13.898 -8.894 -23.561 629 HB3 GLN 72 HB3 GLN 72 13.189 -9.913 -22.315 630 HG2 GLN 72 HG2 GLN 72 13.916 -8.337 -20.579 631 HG3 GLN 72 HG3 GLN 72 14.689 -7.327 -21.799 632 HE21 GLN 72 HE21 GLN 72 12.518 -6.681 -19.893 633 HE22 GLN 72 HE22 GLN 72 11.204 -6.112 -20.856 634 H MET 73 H MET 73 16.159 -9.593 -24.768 635 HA MET 73 HA MET 73 17.906 -7.313 -24.148 636 HB2 MET 73 HB2 MET 73 19.435 -9.266 -24.130 637 HB3 MET 73 HB3 MET 73 18.865 -9.754 -25.720 638 HG2 MET 73 HG2 MET 73 19.776 -7.652 -26.670 639 HG3 MET 73 HG3 MET 73 20.389 -7.218 -25.072 640 HE1 MET 73 HE1 MET 73 23.615 -8.129 -27.184 641 HE2 MET 73 HE2 MET 73 22.783 -6.856 -26.288 642 HE3 MET 73 HE3 MET 73 22.136 -7.417 -27.831 643 H GLN 74 H GLN 74 17.855 -5.763 -25.697 644 HA GLN 74 HA GLN 74 17.071 -6.320 -28.464 645 HB2 GLN 74 HB2 GLN 74 14.978 -5.775 -27.066 646 HB3 GLN 74 HB3 GLN 74 15.637 -4.161 -26.842 647 HG2 GLN 74 HG2 GLN 74 15.543 -3.785 -29.278 648 HG3 GLN 74 HG3 GLN 74 14.913 -5.416 -29.510 649 HE21 GLN 74 HE21 GLN 74 14.169 -2.193 -28.387 650 HE22 GLN 74 HE22 GLN 74 12.461 -2.413 -28.284 651 H GLN 75 H GLN 75 19.530 -5.682 -27.195 652 HA GLN 75 HA GLN 75 21.392 -4.445 -27.297 653 HB2 GLN 75 HB2 GLN 75 20.007 -3.588 -29.836 654 HB3 GLN 75 HB3 GLN 75 21.521 -2.832 -29.382 655 HG2 GLN 75 HG2 GLN 75 22.130 -4.527 -30.883 656 HG3 GLN 75 HG3 GLN 75 22.533 -5.170 -29.298 657 HE21 GLN 75 HE21 GLN 75 22.099 -6.571 -31.807 658 HE22 GLN 75 HE22 GLN 75 20.841 -7.716 -31.516 Start of MODEL 11 1 H1 SER 1 H1 SER 1 -16.032 16.355 -6.388 2 H2 SER 1 H2 SER 1 -16.216 17.925 -6.990 3 H3 SER 1 H3 SER 1 -17.216 17.379 -5.741 4 HA SER 1 HA SER 1 -14.279 17.716 -5.552 5 HB2 SER 1 HB2 SER 1 -14.751 19.698 -4.148 6 HB3 SER 1 HB3 SER 1 -15.423 19.901 -5.765 7 HG SER 1 HG SER 1 -17.149 20.396 -4.665 8 H HIS 2 H HIS 2 -13.445 17.496 -3.349 9 HA HIS 2 HA HIS 2 -15.137 16.273 -1.306 10 HB2 HIS 2 HB2 HIS 2 -13.804 14.191 -1.112 11 HB3 HIS 2 HB3 HIS 2 -14.538 14.320 -2.705 12 HD1 HIS 2 HD1 HIS 2 -11.337 13.788 -1.058 13 HD2 HIS 2 HD2 HIS 2 -12.600 15.111 -4.792 14 HE1 HIS 2 HE1 HIS 2 -9.314 13.648 -2.533 15 HE2 HIS 2 HE2 HIS 2 -10.065 14.568 -4.747 16 H MET 3 H MET 3 -14.298 16.460 0.772 17 HA MET 3 HA MET 3 -12.147 18.324 1.178 18 HB2 MET 3 HB2 MET 3 -12.658 18.062 3.616 19 HB3 MET 3 HB3 MET 3 -14.056 18.497 2.647 20 HG2 MET 3 HG2 MET 3 -13.475 15.686 3.627 21 HG3 MET 3 HG3 MET 3 -14.535 16.827 4.445 22 HE1 MET 3 HE1 MET 3 -16.143 18.208 2.076 23 HE2 MET 3 HE2 MET 3 -16.914 17.567 3.528 24 HE3 MET 3 HE3 MET 3 -17.527 17.127 1.931 25 H SER 4 H SER 4 -10.049 17.840 1.303 26 HA SER 4 HA SER 4 -8.853 15.642 2.654 27 HB2 SER 4 HB2 SER 4 -9.743 14.385 0.666 28 HB3 SER 4 HB3 SER 4 -8.813 15.433 -0.401 29 HG SER 4 HG SER 4 -8.024 13.205 0.724 30 H ASN 5 H ASN 5 -6.392 15.511 2.057 31 HA ASN 5 HA ASN 5 -5.264 18.170 1.933 32 HB2 ASN 5 HB2 ASN 5 -4.282 16.365 3.363 33 HB3 ASN 5 HB3 ASN 5 -3.855 15.461 1.913 34 HD21 ASN 5 HD21 ASN 5 -3.165 18.343 3.796 35 HD22 ASN 5 HD22 ASN 5 -1.616 18.653 3.097 36 H LYS 6 H LYS 6 -5.560 19.114 -0.035 37 HA LYS 6 HA LYS 6 -4.666 17.736 -2.514 38 HB2 LYS 6 HB2 LYS 6 -6.593 18.989 -3.648 39 HB3 LYS 6 HB3 LYS 6 -7.047 17.675 -2.571 40 HG2 LYS 6 HG2 LYS 6 -7.532 19.352 -0.781 41 HG3 LYS 6 HG3 LYS 6 -7.187 20.646 -1.934 42 HD2 LYS 6 HD2 LYS 6 -9.059 19.909 -3.352 43 HD3 LYS 6 HD3 LYS 6 -9.364 18.538 -2.278 44 HE2 LYS 6 HE2 LYS 6 -10.969 20.356 -1.870 45 HE3 LYS 6 HE3 LYS 6 -9.956 20.088 -0.453 46 HZ1 LYS 6 HZ1 LYS 6 -10.252 22.435 -0.914 47 HZ2 LYS 6 HZ2 LYS 6 -9.587 22.257 -2.454 48 HZ3 LYS 6 HZ3 LYS 6 -8.626 22.008 -1.086 49 H GLY 7 H GLY 7 -2.699 19.053 -1.541 50 HA2 GLY 7 HA2 GLY 7 -2.591 21.854 -2.409 51 HA3 GLY 7 HA3 GLY 7 -1.313 20.944 -1.617 52 H LYS 8 H LYS 8 -3.143 20.887 -4.693 53 HA LYS 8 HA LYS 8 -0.923 19.661 -6.128 54 HB2 LYS 8 HB2 LYS 8 -3.343 18.979 -6.446 55 HB3 LYS 8 HB3 LYS 8 -3.641 20.536 -7.196 56 HG2 LYS 8 HG2 LYS 8 -3.303 19.350 -9.120 57 HG3 LYS 8 HG3 LYS 8 -1.609 19.695 -8.789 58 HD2 LYS 8 HD2 LYS 8 -3.071 17.119 -8.034 59 HD3 LYS 8 HD3 LYS 8 -2.004 17.308 -9.422 60 HE2 LYS 8 HE2 LYS 8 -0.110 17.749 -7.882 61 HE3 LYS 8 HE3 LYS 8 -1.188 17.530 -6.504 62 HZ1 LYS 8 HZ1 LYS 8 0.103 15.553 -6.975 63 HZ2 LYS 8 HZ2 LYS 8 -0.546 15.467 -8.534 64 HZ3 LYS 8 HZ3 LYS 8 -1.550 15.257 -7.190 65 H LYS 9 H LYS 9 0.721 21.132 -6.438 66 HA LYS 9 HA LYS 9 0.183 23.346 -8.324 67 HB2 LYS 9 HB2 LYS 9 1.914 24.751 -7.058 68 HB3 LYS 9 HB3 LYS 9 0.341 24.568 -6.295 69 HG2 LYS 9 HG2 LYS 9 1.235 22.937 -4.723 70 HG3 LYS 9 HG3 LYS 9 2.801 22.959 -5.539 71 HD2 LYS 9 HD2 LYS 9 3.151 25.297 -4.886 72 HD3 LYS 9 HD3 LYS 9 1.546 25.368 -4.151 73 HE2 LYS 9 HE2 LYS 9 3.318 25.095 -2.456 74 HE3 LYS 9 HE3 LYS 9 2.226 23.713 -2.466 75 HZ1 LYS 9 HZ1 LYS 9 3.872 22.499 -3.776 76 HZ2 LYS 9 HZ2 LYS 9 4.497 23.001 -2.292 77 HZ3 LYS 9 HZ3 LYS 9 4.924 23.821 -3.704 78 H ARG 10 H ARG 10 1.117 22.573 -10.093 79 HA ARG 10 HA ARG 10 2.603 21.997 -11.658 80 HB2 ARG 10 HB2 ARG 10 3.830 23.970 -10.697 81 HB3 ARG 10 HB3 ARG 10 4.781 22.853 -9.719 82 HG2 ARG 10 HG2 ARG 10 5.711 21.818 -11.753 83 HG3 ARG 10 HG3 ARG 10 4.701 22.857 -12.763 84 HD2 ARG 10 HD2 ARG 10 5.893 24.847 -11.828 85 HD3 ARG 10 HD3 ARG 10 6.953 23.750 -10.932 86 HE ARG 10 HE ARG 10 6.975 23.092 -13.684 87 HH11 ARG 10 HH11 ARG 10 8.221 25.497 -11.554 88 HH12 ARG 10 HH12 ARG 10 9.541 25.882 -12.594 89 HH21 ARG 10 HH21 ARG 10 8.653 23.595 -15.003 90 HH22 ARG 10 HH22 ARG 10 9.786 24.810 -14.530 91 H ARG 11 H ARG 11 3.183 20.049 -12.395 92 HA ARG 11 HA ARG 11 3.557 17.837 -10.562 93 HB2 ARG 11 HB2 ARG 11 3.449 17.898 -13.607 94 HB3 ARG 11 HB3 ARG 11 3.467 16.435 -12.623 95 HG2 ARG 11 HG2 ARG 11 1.287 17.052 -11.639 96 HG3 ARG 11 HG3 ARG 11 1.274 18.546 -12.587 97 HD2 ARG 11 HD2 ARG 11 1.280 17.213 -14.678 98 HD3 ARG 11 HD3 ARG 11 1.268 15.723 -13.726 99 HE ARG 11 HE ARG 11 -0.930 17.011 -12.823 100 HH11 ARG 11 HH11 ARG 11 0.101 16.312 -16.059 101 HH12 ARG 11 HH12 ARG 11 -1.514 16.166 -16.647 102 HH21 ARG 11 HH21 ARG 11 -2.965 16.813 -13.595 103 HH22 ARG 11 HH22 ARG 11 -3.240 16.445 -15.262 104 H ASN 12 H ASN 12 5.628 17.966 -9.641 105 HA ASN 12 HA ASN 12 7.898 17.389 -11.467 106 HB2 ASN 12 HB2 ASN 12 7.849 18.080 -8.490 107 HB3 ASN 12 HB3 ASN 12 9.294 17.531 -9.321 108 HD21 ASN 12 HD21 ASN 12 6.864 19.812 -10.602 109 HD22 ASN 12 HD22 ASN 12 7.948 21.144 -10.683 110 H ARG 13 H ARG 13 7.325 16.159 -8.158 111 HA ARG 13 HA ARG 13 6.659 13.450 -9.139 112 HB2 ARG 13 HB2 ARG 13 8.739 14.132 -7.005 113 HB3 ARG 13 HB3 ARG 13 8.056 12.521 -7.206 114 HG2 ARG 13 HG2 ARG 13 8.991 12.453 -9.524 115 HG3 ARG 13 HG3 ARG 13 9.747 14.025 -9.233 116 HD2 ARG 13 HD2 ARG 13 11.118 13.089 -7.452 117 HD3 ARG 13 HD3 ARG 13 10.271 11.540 -7.555 118 HE ARG 13 HE ARG 13 12.015 12.635 -9.691 119 HH11 ARG 13 HH11 ARG 13 10.754 9.899 -7.978 120 HH12 ARG 13 HH12 ARG 13 11.715 8.776 -8.867 121 HH21 ARG 13 HH21 ARG 13 13.208 11.170 -10.817 122 HH22 ARG 13 HH22 ARG 13 13.084 9.487 -10.443 123 H THR 14 H THR 14 4.679 15.110 -8.483 124 HA THR 14 HA THR 14 4.022 14.865 -5.622 125 HB THR 14 HB THR 14 3.703 17.092 -6.386 126 HG1 THR 14 HG1 THR 14 2.015 16.802 -5.095 127 HG21 THR 14 HG21 THR 14 3.582 16.735 -8.819 128 HG22 THR 14 HG22 THR 14 2.261 17.765 -8.264 129 HG23 THR 14 HG23 THR 14 1.953 16.069 -8.653 130 H THR 15 H THR 15 3.748 12.582 -5.713 131 HA THR 15 HA THR 15 1.188 11.624 -6.885 132 HB THR 15 HB THR 15 2.201 9.321 -6.861 133 HG1 THR 15 HG1 THR 15 4.369 9.058 -6.371 134 HG21 THR 15 HG21 THR 15 3.736 9.621 -8.782 135 HG22 THR 15 HG22 THR 15 3.829 11.349 -8.445 136 HG23 THR 15 HG23 THR 15 2.299 10.634 -8.957 137 H PHE 16 H PHE 16 3.428 10.804 -4.175 138 HA PHE 16 HA PHE 16 1.080 10.304 -2.410 139 HB2 PHE 16 HB2 PHE 16 3.742 8.825 -2.301 140 HB3 PHE 16 HB3 PHE 16 2.320 8.500 -1.316 141 HD1 PHE 16 HD1 PHE 16 0.178 7.692 -2.543 142 HD2 PHE 16 HD2 PHE 16 4.055 7.668 -4.349 143 HE1 PHE 16 HE1 PHE 16 -0.588 6.040 -4.191 144 HE2 PHE 16 HE2 PHE 16 3.274 6.015 -5.994 145 HZ PHE 16 HZ PHE 16 0.953 5.194 -5.913 146 H THR 17 H THR 17 1.042 11.438 -0.501 147 HA THR 17 HA THR 17 3.113 13.335 0.171 148 HB THR 17 HB THR 17 1.720 14.026 2.051 149 HG1 THR 17 HG1 THR 17 -0.208 12.821 2.566 150 HG21 THR 17 HG21 THR 17 -0.070 13.355 -0.323 151 HG22 THR 17 HG22 THR 17 0.938 14.797 -0.174 152 HG23 THR 17 HG23 THR 17 -0.421 14.553 0.924 153 H SER 18 H SER 18 3.818 13.455 2.624 154 HA SER 18 HA SER 18 5.571 11.311 3.169 155 HB2 SER 18 HB2 SER 18 4.648 13.583 4.974 156 HB3 SER 18 HB3 SER 18 5.978 12.489 5.365 157 HG SER 18 HG SER 18 7.214 13.614 4.115 158 H TYR 19 H TYR 19 2.601 12.282 4.965 159 HA TYR 19 HA TYR 19 2.366 10.134 6.746 160 HB2 TYR 19 HB2 TYR 19 0.910 11.999 7.090 161 HB3 TYR 19 HB3 TYR 19 0.308 11.957 5.438 162 HD1 TYR 19 HD2 TYR 19 0.137 10.183 8.735 163 HD2 TYR 19 HD1 TYR 19 -1.650 10.660 4.877 164 HE1 TYR 19 HE2 TYR 19 -1.781 8.822 9.450 165 HE2 TYR 19 HE1 TYR 19 -3.549 9.282 5.582 166 HH TYR 19 HH TYR 19 -4.060 7.561 7.249 167 H GLN 20 H GLN 20 1.140 10.452 3.449 168 HA GLN 20 HA GLN 20 -0.406 8.145 3.235 169 HB2 GLN 20 HB2 GLN 20 -0.440 10.104 1.713 170 HB3 GLN 20 HB3 GLN 20 1.139 9.656 1.090 171 HG2 GLN 20 HG2 GLN 20 0.267 7.778 -0.061 172 HG3 GLN 20 HG3 GLN 20 -1.246 7.832 0.841 173 HE21 GLN 20 HE21 GLN 20 -2.499 7.950 -1.015 174 HE22 GLN 20 HE22 GLN 20 -2.563 9.345 -2.021 175 H LEU 21 H LEU 21 3.039 8.661 2.392 176 HA LEU 21 HA LEU 21 3.634 6.029 1.518 177 HB2 LEU 21 HB2 LEU 21 5.376 8.270 2.575 178 HB3 LEU 21 HB3 LEU 21 6.057 6.742 2.032 179 HG LEU 21 HG LEU 21 4.427 8.625 0.274 180 HD11 LEU 21 HD11 LEU 21 6.547 9.158 -0.843 181 HD12 LEU 21 HD12 LEU 21 7.429 8.181 0.332 182 HD13 LEU 21 HD13 LEU 21 6.578 9.638 0.853 183 HD21 LEU 21 HD21 LEU 21 5.973 6.108 -0.448 184 HD22 LEU 21 HD22 LEU 21 5.163 7.189 -1.587 185 HD23 LEU 21 HD23 LEU 21 4.215 6.278 -0.417 186 H GLU 22 H GLU 22 3.627 7.451 4.792 187 HA GLU 22 HA GLU 22 5.052 5.356 6.115 188 HB2 GLU 22 HB2 GLU 22 2.981 7.303 7.219 189 HB3 GLU 22 HB3 GLU 22 3.971 6.234 8.213 190 HG2 GLU 22 HG2 GLU 22 6.008 7.376 7.369 191 HG3 GLU 22 HG3 GLU 22 4.987 8.474 6.444 192 H GLU 23 H GLU 23 1.581 5.831 5.473 193 HA GLU 23 HA GLU 23 0.665 3.536 6.921 194 HB2 GLU 23 HB2 GLU 23 -0.705 5.053 4.667 195 HB3 GLU 23 HB3 GLU 23 -1.487 3.901 5.745 196 HG2 GLU 23 HG2 GLU 23 -0.310 6.593 6.508 197 HG3 GLU 23 HG3 GLU 23 -2.020 6.177 6.412 198 H LEU 24 H LEU 24 1.366 4.123 3.482 199 HA LEU 24 HA LEU 24 0.711 1.606 2.408 200 HB2 LEU 24 HB2 LEU 24 2.777 3.664 1.561 201 HB3 LEU 24 HB3 LEU 24 2.360 2.269 0.576 202 HG LEU 24 HG LEU 24 0.316 4.377 1.401 203 HD11 LEU 24 HD11 LEU 24 1.864 4.267 -1.203 204 HD12 LEU 24 HD12 LEU 24 2.043 5.480 0.068 205 HD13 LEU 24 HD13 LEU 24 0.529 5.362 -0.824 206 HD21 LEU 24 HD21 LEU 24 0.215 2.246 -0.764 207 HD22 LEU 24 HD22 LEU 24 -1.044 3.438 -0.414 208 HD23 LEU 24 HD23 LEU 24 -0.643 2.207 0.778 209 H GLU 25 H GLU 25 3.851 2.812 3.609 210 HA GLU 25 HA GLU 25 5.372 0.441 3.413 211 HB2 GLU 25 HB2 GLU 25 5.645 3.047 4.878 212 HB3 GLU 25 HB3 GLU 25 6.654 1.727 5.442 213 HG2 GLU 25 HG2 GLU 25 6.613 2.633 2.550 214 HG3 GLU 25 HG3 GLU 25 7.698 3.322 3.762 215 H LYS 26 H LYS 26 3.266 1.610 6.018 216 HA LYS 26 HA LYS 26 3.928 -0.091 8.128 217 HB2 LYS 26 HB2 LYS 26 2.419 1.811 8.364 218 HB3 LYS 26 HB3 LYS 26 1.237 1.060 7.301 219 HG2 LYS 26 HG2 LYS 26 0.843 -0.699 8.977 220 HG3 LYS 26 HG3 LYS 26 2.023 0.053 10.054 221 HD2 LYS 26 HD2 LYS 26 -0.456 1.513 9.046 222 HD3 LYS 26 HD3 LYS 26 -0.461 0.545 10.516 223 HE2 LYS 26 HE2 LYS 26 -0.185 2.864 11.128 224 HE3 LYS 26 HE3 LYS 26 1.338 2.040 11.439 225 HZ1 LYS 26 HZ1 LYS 26 2.201 2.966 9.374 226 HZ2 LYS 26 HZ2 LYS 26 1.682 4.180 10.425 227 HZ3 LYS 26 HZ3 LYS 26 0.734 3.760 9.094 228 H VAL 27 H VAL 27 1.656 -0.665 5.451 229 HA VAL 27 HA VAL 27 0.946 -3.348 6.274 230 HB VAL 27 HB VAL 27 0.393 -1.879 3.657 231 HG11 VAL 27 HG11 VAL 27 -1.436 -3.544 3.320 232 HG12 VAL 27 HG12 VAL 27 -0.875 -4.429 4.739 233 HG13 VAL 27 HG13 VAL 27 0.162 -4.303 3.316 234 HG21 VAL 27 HG21 VAL 27 -1.853 -1.427 4.609 235 HG22 VAL 27 HG22 VAL 27 -0.584 -0.707 5.603 236 HG23 VAL 27 HG23 VAL 27 -1.372 -2.200 6.121 237 H PHE 28 H PHE 28 3.294 -1.911 4.017 238 HA PHE 28 HA PHE 28 4.036 -4.259 2.590 239 HB2 PHE 28 HB2 PHE 28 4.560 -1.943 1.818 240 HB3 PHE 28 HB3 PHE 28 5.720 -1.771 3.129 241 HD1 PHE 28 HD1 PHE 28 4.991 -3.866 0.097 242 HD2 PHE 28 HD2 PHE 28 8.003 -2.385 2.749 243 HE1 PHE 28 HE1 PHE 28 6.737 -4.775 -1.377 244 HE2 PHE 28 HE2 PHE 28 9.746 -3.301 1.268 245 HZ PHE 28 HZ PHE 28 9.119 -4.494 -0.793 246 H GLN 29 H GLN 29 5.203 -2.880 5.634 247 HA GLN 29 HA GLN 29 7.466 -4.662 5.903 248 HB2 GLN 29 HB2 GLN 29 6.227 -2.733 7.906 249 HB3 GLN 29 HB3 GLN 29 7.769 -3.560 8.116 250 HG2 GLN 29 HG2 GLN 29 7.108 -1.513 5.973 251 HG3 GLN 29 HG3 GLN 29 8.107 -1.239 7.397 252 HE21 GLN 29 HE21 GLN 29 8.719 -1.003 4.473 253 HE22 GLN 29 HE22 GLN 29 10.112 -2.000 4.238 254 H LYS 30 H LYS 30 4.116 -4.858 6.732 255 HA LYS 30 HA LYS 30 4.431 -7.185 8.471 256 HB2 LYS 30 HB2 LYS 30 2.024 -5.778 7.254 257 HB3 LYS 30 HB3 LYS 30 1.856 -7.323 8.085 258 HG2 LYS 30 HG2 LYS 30 2.739 -6.340 10.150 259 HG3 LYS 30 HG3 LYS 30 2.974 -4.790 9.334 260 HD2 LYS 30 HD2 LYS 30 0.595 -4.462 9.088 261 HD3 LYS 30 HD3 LYS 30 0.245 -6.123 9.582 262 HE2 LYS 30 HE2 LYS 30 -0.237 -4.473 11.382 263 HE3 LYS 30 HE3 LYS 30 0.987 -5.647 11.859 264 HZ1 LYS 30 HZ1 LYS 30 1.462 -2.848 10.991 265 HZ2 LYS 30 HZ2 LYS 30 2.687 -3.966 11.312 266 HZ3 LYS 30 HZ3 LYS 30 1.650 -3.472 12.552 267 H THR 31 H THR 31 3.310 -6.519 5.144 268 HA THR 31 HA THR 31 4.221 -9.117 4.202 269 HB THR 31 HB THR 31 1.959 -9.726 4.860 270 HG1 THR 31 HG1 THR 31 1.690 -10.798 3.053 271 HG21 THR 31 HG21 THR 31 -0.059 -8.677 3.900 272 HG22 THR 31 HG22 THR 31 0.941 -7.475 3.083 273 HG23 THR 31 HG23 THR 31 0.862 -7.505 4.847 274 H HIS 32 H HIS 32 5.010 -8.989 2.203 275 HA HIS 32 HA HIS 32 5.073 -6.495 0.751 276 HB2 HIS 32 HB2 HIS 32 6.158 -9.209 -0.113 277 HB3 HIS 32 HB3 HIS 32 6.651 -7.629 -0.723 278 HD1 HIS 32 HD1 HIS 32 7.836 -10.137 1.450 279 HD2 HIS 32 HD2 HIS 32 7.664 -5.995 1.726 280 HE1 HIS 32 HE1 HIS 32 9.462 -9.522 3.253 281 HE2 HIS 32 HE2 HIS 32 9.186 -7.044 3.533 282 H TYR 33 H TYR 33 2.989 -9.147 0.823 283 HA TYR 33 HA TYR 33 1.697 -8.452 -1.756 284 HB2 TYR 33 HB2 TYR 33 1.743 -11.176 -0.369 285 HB3 TYR 33 HB3 TYR 33 0.933 -10.802 -1.889 286 HD1 TYR 33 HD2 TYR 33 2.278 -10.341 -3.952 287 HD2 TYR 33 HD1 TYR 33 4.166 -11.559 -0.312 288 HE1 TYR 33 HE2 TYR 33 4.336 -10.857 -5.186 289 HE2 TYR 33 HE1 TYR 33 6.231 -12.058 -1.551 290 HH TYR 33 HH TYR 33 6.897 -12.623 -3.901 291 HA PRO 34 HA PRO 34 -1.210 -7.287 1.691 292 HB2 PRO 34 HB2 PRO 34 -2.571 -5.338 0.335 293 HB3 PRO 34 HB3 PRO 34 -0.977 -5.061 1.047 294 HG2 PRO 34 HG2 PRO 34 -1.673 -5.739 -1.820 295 HG3 PRO 34 HG3 PRO 34 -0.586 -4.470 -1.210 296 HD2 PRO 34 HD2 PRO 34 0.373 -6.841 -2.107 297 HD3 PRO 34 HD3 PRO 34 1.142 -5.987 -0.749 298 H ASP 35 H ASP 35 -3.118 -8.234 2.145 299 HA ASP 35 HA ASP 35 -4.633 -9.880 0.408 300 HB2 ASP 35 HB2 ASP 35 -5.503 -8.587 3.035 301 HB3 ASP 35 HB3 ASP 35 -6.216 -10.016 2.291 302 H VAL 36 H VAL 36 -6.975 -9.534 -0.236 303 HA VAL 36 HA VAL 36 -7.365 -7.125 -1.647 304 HB VAL 36 HB VAL 36 -8.499 -9.214 -2.306 305 HG11 VAL 36 HG11 VAL 36 -10.325 -8.830 0.097 306 HG12 VAL 36 HG12 VAL 36 -9.126 -10.113 -0.101 307 HG13 VAL 36 HG13 VAL 36 -10.526 -10.046 -1.174 308 HG21 VAL 36 HG21 VAL 36 -9.399 -7.095 -3.179 309 HG22 VAL 36 HG22 VAL 36 -10.475 -6.956 -1.787 310 HG23 VAL 36 HG23 VAL 36 -10.698 -8.268 -2.946 311 H TYR 37 H TYR 37 -8.646 -8.157 1.488 312 HA TYR 37 HA TYR 37 -10.266 -5.890 2.064 313 HB2 TYR 37 HB2 TYR 37 -10.388 -8.191 3.151 314 HB3 TYR 37 HB3 TYR 37 -8.932 -7.788 4.047 315 HD1 TYR 37 HD2 TYR 37 -12.493 -6.835 3.530 316 HD2 TYR 37 HD1 TYR 37 -9.088 -6.489 6.097 317 HE1 TYR 37 HE2 TYR 37 -13.907 -5.825 5.274 318 HE2 TYR 37 HE1 TYR 37 -10.503 -5.483 7.840 319 HH TYR 37 HH TYR 37 -13.923 -5.503 7.683 320 H ALA 38 H ALA 38 -6.887 -6.732 2.791 321 HA ALA 38 HA ALA 38 -6.194 -4.535 4.431 322 HB1 ALA 38 HB1 ALA 38 -4.379 -6.145 2.605 323 HB2 ALA 38 HB2 ALA 38 -4.812 -6.571 4.261 324 HB3 ALA 38 HB3 ALA 38 -3.857 -5.120 3.949 325 H ARG 39 H ARG 39 -6.233 -4.885 0.901 326 HA ARG 39 HA ARG 39 -4.860 -2.466 0.216 327 HB2 ARG 39 HB2 ARG 39 -6.836 -4.158 -1.376 328 HB3 ARG 39 HB3 ARG 39 -5.887 -2.835 -2.059 329 HG2 ARG 39 HG2 ARG 39 -3.815 -4.024 -1.667 330 HG3 ARG 39 HG3 ARG 39 -4.653 -5.286 -0.760 331 HD2 ARG 39 HD2 ARG 39 -5.887 -5.918 -2.828 332 HD3 ARG 39 HD3 ARG 39 -4.977 -4.693 -3.721 333 HE ARG 39 HE ARG 39 -3.194 -6.463 -2.409 334 HH11 ARG 39 HH11 ARG 39 -5.390 -6.480 -5.077 335 HH12 ARG 39 HH12 ARG 39 -4.470 -7.646 -5.954 336 HH21 ARG 39 HH21 ARG 39 -2.063 -7.992 -3.545 337 HH22 ARG 39 HH22 ARG 39 -2.625 -8.487 -5.102 338 H GLU 40 H GLU 40 -8.277 -3.307 0.637 339 HA GLU 40 HA GLU 40 -9.443 -0.837 -0.135 340 HB2 GLU 40 HB2 GLU 40 -10.475 -2.991 1.758 341 HB3 GLU 40 HB3 GLU 40 -11.454 -1.682 1.093 342 HG2 GLU 40 HG2 GLU 40 -11.115 -2.565 -1.178 343 HG3 GLU 40 HG3 GLU 40 -10.090 -3.848 -0.546 344 H GLN 41 H GLN 41 -8.644 -2.126 3.115 345 HA GLN 41 HA GLN 41 -9.458 0.150 4.607 346 HB2 GLN 41 HB2 GLN 41 -7.471 -2.033 5.362 347 HB3 GLN 41 HB3 GLN 41 -8.220 -0.902 6.486 348 HG2 GLN 41 HG2 GLN 41 -9.642 -3.043 4.871 349 HG3 GLN 41 HG3 GLN 41 -9.314 -3.073 6.596 350 HE21 GLN 41 HE21 GLN 41 -11.347 -1.783 4.096 351 HE22 GLN 41 HE22 GLN 41 -12.516 -1.052 5.134 352 H LEU 42 H LEU 42 -6.373 -0.740 3.142 353 HA LEU 42 HA LEU 42 -4.822 1.398 4.240 354 HB2 LEU 42 HB2 LEU 42 -3.812 -0.664 3.343 355 HB3 LEU 42 HB3 LEU 42 -4.382 -0.260 1.732 356 HG LEU 42 HG LEU 42 -2.854 1.651 1.610 357 HD11 LEU 42 HD11 LEU 42 -2.001 0.955 4.434 358 HD12 LEU 42 HD12 LEU 42 -2.913 2.385 3.937 359 HD13 LEU 42 HD13 LEU 42 -1.255 2.167 3.389 360 HD21 LEU 42 HD21 LEU 42 -1.975 -0.550 0.943 361 HD22 LEU 42 HD22 LEU 42 -1.397 -0.830 2.586 362 HD23 LEU 42 HD23 LEU 42 -0.707 0.472 1.615 363 H ALA 43 H ALA 43 -6.687 1.024 1.230 364 HA ALA 43 HA ALA 43 -6.141 3.512 0.019 365 HB1 ALA 43 HB1 ALA 43 -7.287 1.669 -1.144 366 HB2 ALA 43 HB2 ALA 43 -8.235 3.154 -1.235 367 HB3 ALA 43 HB3 ALA 43 -8.698 1.876 -0.106 368 H MET 44 H MET 44 -8.424 2.626 2.579 369 HA MET 44 HA MET 44 -9.726 5.156 2.863 370 HB2 MET 44 HB2 MET 44 -9.368 2.892 4.869 371 HB3 MET 44 HB3 MET 44 -10.418 4.282 5.118 372 HG2 MET 44 HG2 MET 44 -11.782 3.601 3.187 373 HG3 MET 44 HG3 MET 44 -10.721 2.214 2.932 374 HE1 MET 44 HE1 MET 44 -13.349 3.885 5.373 375 HE2 MET 44 HE2 MET 44 -11.955 3.664 6.433 376 HE3 MET 44 HE3 MET 44 -13.411 2.702 6.682 377 H ARG 45 H ARG 45 -6.781 3.760 4.308 378 HA ARG 45 HA ARG 45 -6.234 5.813 6.218 379 HB2 ARG 45 HB2 ARG 45 -4.349 3.880 4.787 380 HB3 ARG 45 HB3 ARG 45 -3.852 4.926 6.116 381 HG2 ARG 45 HG2 ARG 45 -5.969 2.760 6.316 382 HG3 ARG 45 HG3 ARG 45 -4.280 2.582 6.797 383 HD2 ARG 45 HD2 ARG 45 -4.599 4.435 8.452 384 HD3 ARG 45 HD3 ARG 45 -6.310 4.485 8.014 385 HE ARG 45 HE ARG 45 -6.644 2.428 9.066 386 HH11 ARG 45 HH11 ARG 45 -3.298 3.352 9.352 387 HH12 ARG 45 HH12 ARG 45 -2.996 2.176 10.585 388 HH21 ARG 45 HH21 ARG 45 -6.196 0.954 10.632 389 HH22 ARG 45 HH22 ARG 45 -4.606 0.857 11.294 390 H THR 46 H THR 46 -5.558 5.532 2.764 391 HA THR 46 HA THR 46 -3.663 7.831 2.841 392 HB THR 46 HB THR 46 -2.624 6.794 0.809 393 HG1 THR 46 HG1 THR 46 -3.831 4.338 1.233 394 HG21 THR 46 HG21 THR 46 -2.778 4.892 3.177 395 HG22 THR 46 HG22 THR 46 -1.713 6.297 3.069 396 HG23 THR 46 HG23 THR 46 -1.500 4.941 1.956 397 H ASP 47 H ASP 47 -6.786 7.355 1.967 398 HA ASP 47 HA ASP 47 -8.295 8.313 0.579 399 HB2 ASP 47 HB2 ASP 47 -6.055 10.312 0.086 400 HB3 ASP 47 HB3 ASP 47 -7.675 10.513 -0.562 401 H LEU 48 H LEU 48 -6.187 6.328 -0.519 402 HA LEU 48 HA LEU 48 -6.111 6.907 -3.383 403 HB2 LEU 48 HB2 LEU 48 -5.014 4.612 -1.713 404 HB3 LEU 48 HB3 LEU 48 -4.903 4.642 -3.467 405 HG LEU 48 HG LEU 48 -3.614 6.677 -1.601 406 HD11 LEU 48 HD11 LEU 48 -2.334 4.419 -3.184 407 HD12 LEU 48 HD12 LEU 48 -2.535 4.484 -1.430 408 HD13 LEU 48 HD13 LEU 48 -1.485 5.645 -2.235 409 HD21 LEU 48 HD21 LEU 48 -3.386 6.389 -4.620 410 HD22 LEU 48 HD22 LEU 48 -2.466 7.513 -3.615 411 HD23 LEU 48 HD23 LEU 48 -4.213 7.688 -3.756 412 H THR 49 H THR 49 -6.533 4.984 -4.831 413 HA THR 49 HA THR 49 -8.990 3.469 -4.145 414 HB THR 49 HB THR 49 -7.753 3.862 -6.919 415 HG1 THR 49 HG1 THR 49 -9.741 5.431 -5.592 416 HG21 THR 49 HG21 THR 49 -10.589 3.115 -6.089 417 HG22 THR 49 HG22 THR 49 -9.388 1.997 -6.736 418 HG23 THR 49 HG23 THR 49 -10.007 3.301 -7.749 419 H GLU 50 H GLU 50 -8.991 1.148 -4.735 420 HA GLU 50 HA GLU 50 -6.888 -0.358 -3.769 421 HB2 GLU 50 HB2 GLU 50 -9.204 -1.221 -4.111 422 HB3 GLU 50 HB3 GLU 50 -8.932 -1.256 -5.850 423 HG2 GLU 50 HG2 GLU 50 -7.148 -2.958 -5.520 424 HG3 GLU 50 HG3 GLU 50 -7.468 -2.937 -3.785 425 H ALA 51 H ALA 51 -7.447 0.571 -7.166 426 HA ALA 51 HA ALA 51 -5.410 -0.804 -8.483 427 HB1 ALA 51 HB1 ALA 51 -7.117 0.540 -9.629 428 HB2 ALA 51 HB2 ALA 51 -5.499 0.993 -10.168 429 HB3 ALA 51 HB3 ALA 51 -6.377 2.018 -9.025 430 H ARG 52 H ARG 52 -5.177 2.473 -7.011 431 HA ARG 52 HA ARG 52 -2.395 2.813 -7.604 432 HB2 ARG 52 HB2 ARG 52 -4.431 4.393 -6.049 433 HB3 ARG 52 HB3 ARG 52 -2.734 4.759 -5.777 434 HG2 ARG 52 HG2 ARG 52 -3.684 6.265 -7.451 435 HG3 ARG 52 HG3 ARG 52 -2.421 5.258 -8.159 436 HD2 ARG 52 HD2 ARG 52 -4.286 3.738 -9.014 437 HD3 ARG 52 HD3 ARG 52 -5.423 4.989 -8.513 438 HE ARG 52 HE ARG 52 -4.184 6.501 -10.078 439 HH11 ARG 52 HH11 ARG 52 -4.173 3.074 -10.679 440 HH12 ARG 52 HH12 ARG 52 -3.852 3.273 -12.363 441 HH21 ARG 52 HH21 ARG 52 -3.750 6.707 -12.223 442 HH22 ARG 52 HH22 ARG 52 -3.618 5.303 -13.224 443 H VAL 53 H VAL 53 -4.056 1.437 -4.836 444 HA VAL 53 HA VAL 53 -1.839 1.297 -3.048 445 HB VAL 53 HB VAL 53 -4.261 -0.554 -3.281 446 HG11 VAL 53 HG11 VAL 53 -2.459 -1.698 -2.054 447 HG12 VAL 53 HG12 VAL 53 -3.749 -1.245 -0.941 448 HG13 VAL 53 HG13 VAL 53 -2.260 -0.299 -0.995 449 HG21 VAL 53 HG21 VAL 53 -5.192 0.768 -1.392 450 HG22 VAL 53 HG22 VAL 53 -4.903 1.783 -2.805 451 HG23 VAL 53 HG23 VAL 53 -3.781 1.832 -1.442 452 H GLN 54 H GLN 54 -3.183 -1.124 -5.336 453 HA GLN 54 HA GLN 54 -1.263 -3.151 -5.088 454 HB2 GLN 54 HB2 GLN 54 -2.950 -2.368 -7.501 455 HB3 GLN 54 HB3 GLN 54 -2.008 -3.855 -7.411 456 HG2 GLN 54 HG2 GLN 54 -3.365 -4.657 -5.554 457 HG3 GLN 54 HG3 GLN 54 -4.251 -3.133 -5.500 458 HE21 GLN 54 HE21 GLN 54 -5.777 -2.698 -7.135 459 HE22 GLN 54 HE22 GLN 54 -6.398 -3.937 -8.157 460 H VAL 55 H VAL 55 -1.384 -0.533 -7.527 461 HA VAL 55 HA VAL 55 0.961 -1.078 -8.949 462 HB VAL 55 HB VAL 55 -0.415 1.609 -8.474 463 HG11 VAL 55 HG11 VAL 55 1.712 0.939 -10.561 464 HG12 VAL 55 HG12 VAL 55 1.906 2.049 -9.203 465 HG13 VAL 55 HG13 VAL 55 0.779 2.437 -10.501 466 HG21 VAL 55 HG21 VAL 55 -0.580 -0.318 -10.827 467 HG22 VAL 55 HG22 VAL 55 -1.408 1.236 -10.711 468 HG23 VAL 55 HG23 VAL 55 -1.831 -0.073 -9.607 469 H TRP 56 H TRP 56 0.548 0.893 -5.976 470 HA TRP 56 HA TRP 56 3.169 1.857 -5.727 471 HB2 TRP 56 HB2 TRP 56 1.284 2.587 -4.238 472 HB3 TRP 56 HB3 TRP 56 1.354 1.034 -3.412 473 HD1 TRP 56 HD1 TRP 56 3.335 4.308 -3.815 474 HE1 TRP 56 HE1 TRP 56 5.025 4.524 -1.895 475 HE3 TRP 56 HE3 TRP 56 2.767 -0.311 -1.663 476 HZ2 TRP 56 HZ2 TRP 56 6.005 2.981 0.243 477 HZ3 TRP 56 HZ3 TRP 56 4.128 -0.860 0.315 478 HH2 TRP 56 HH2 TRP 56 5.716 0.752 1.246 479 H PHE 57 H PHE 57 1.759 -1.147 -4.346 480 HA PHE 57 HA PHE 57 4.127 -2.170 -3.179 481 HB2 PHE 57 HB2 PHE 57 1.494 -3.470 -3.958 482 HB3 PHE 57 HB3 PHE 57 2.813 -4.443 -3.318 483 HD1 PHE 57 HD2 PHE 57 0.395 -1.759 -2.504 484 HD2 PHE 57 HD1 PHE 57 3.413 -4.358 -0.979 485 HE1 PHE 57 HE2 PHE 57 -0.266 -1.183 -0.217 486 HE2 PHE 57 HE1 PHE 57 2.737 -3.787 1.307 487 HZ PHE 57 HZ PHE 57 0.906 -2.194 1.697 488 H GLN 58 H GLN 58 2.863 -2.572 -6.490 489 HA GLN 58 HA GLN 58 4.549 -4.716 -7.307 490 HB2 GLN 58 HB2 GLN 58 3.276 -2.485 -8.954 491 HB3 GLN 58 HB3 GLN 58 4.067 -3.898 -9.651 492 HG2 GLN 58 HG2 GLN 58 2.399 -5.360 -8.543 493 HG3 GLN 58 HG3 GLN 58 1.612 -3.934 -7.877 494 HE21 GLN 58 HE21 GLN 58 2.180 -5.790 -10.782 495 HE22 GLN 58 HE22 GLN 58 0.973 -5.016 -11.741 496 H ASN 59 H ASN 59 4.948 -1.179 -7.786 497 HA ASN 59 HA ASN 59 7.632 -1.382 -8.824 498 HB2 ASN 59 HB2 ASN 59 6.079 1.035 -7.803 499 HB3 ASN 59 HB3 ASN 59 7.654 1.128 -8.587 500 HD21 ASN 59 HD21 ASN 59 4.253 0.720 -9.078 501 HD22 ASN 59 HD22 ASN 59 4.296 0.695 -10.799 502 H ARG 60 H ARG 60 6.268 -1.127 -5.629 503 HA ARG 60 HA ARG 60 8.594 -0.219 -4.232 504 HB2 ARG 60 HB2 ARG 60 6.288 -0.017 -3.315 505 HB3 ARG 60 HB3 ARG 60 6.185 -1.767 -3.188 506 HG2 ARG 60 HG2 ARG 60 6.632 -0.813 -1.012 507 HG3 ARG 60 HG3 ARG 60 8.030 -1.749 -1.543 508 HD2 ARG 60 HD2 ARG 60 9.130 0.387 -2.263 509 HD3 ARG 60 HD3 ARG 60 7.756 1.278 -1.598 510 HE ARG 60 HE ARG 60 8.368 0.550 0.582 511 HH11 ARG 60 HH11 ARG 60 10.764 -0.219 -1.796 512 HH12 ARG 60 HH12 ARG 60 12.004 -0.436 -0.615 513 HH21 ARG 60 HH21 ARG 60 9.949 0.237 2.063 514 HH22 ARG 60 HH22 ARG 60 11.550 -0.190 1.549 515 H ARG 61 H ARG 61 7.280 -3.455 -4.981 516 HA ARG 61 HA ARG 61 9.328 -4.978 -3.666 517 HB2 ARG 61 HB2 ARG 61 7.369 -5.664 -5.887 518 HB3 ARG 61 HB3 ARG 61 8.484 -6.850 -5.214 519 HG2 ARG 61 HG2 ARG 61 7.418 -6.719 -3.045 520 HG3 ARG 61 HG3 ARG 61 6.412 -5.363 -3.566 521 HD2 ARG 61 HD2 ARG 61 5.159 -7.502 -3.536 522 HD3 ARG 61 HD3 ARG 61 5.223 -6.799 -5.156 523 HE ARG 61 HE ARG 61 6.787 -9.131 -4.212 524 HH11 ARG 61 HH11 ARG 61 5.532 -7.310 -6.890 525 HH12 ARG 61 HH12 ARG 61 5.929 -8.539 -8.034 526 HH21 ARG 61 HH21 ARG 61 7.267 -10.674 -5.707 527 HH22 ARG 61 HH22 ARG 61 6.888 -10.417 -7.374 528 H ALA 62 H ALA 62 8.927 -3.722 -6.983 529 HA ALA 62 HA ALA 62 11.241 -4.884 -8.158 530 HB1 ALA 62 HB1 ALA 62 9.417 -3.896 -9.486 531 HB2 ALA 62 HB2 ALA 62 10.967 -3.168 -9.912 532 HB3 ALA 62 HB3 ALA 62 9.830 -2.289 -8.884 533 H LYS 63 H LYS 63 10.791 -2.036 -6.151 534 HA LYS 63 HA LYS 63 13.466 -0.964 -6.470 535 HB2 LYS 63 HB2 LYS 63 11.486 0.471 -5.963 536 HB3 LYS 63 HB3 LYS 63 11.301 -0.335 -4.408 537 HG2 LYS 63 HG2 LYS 63 13.484 0.554 -3.675 538 HG3 LYS 63 HG3 LYS 63 13.705 1.316 -5.254 539 HD2 LYS 63 HD2 LYS 63 11.634 2.686 -4.811 540 HD3 LYS 63 HD3 LYS 63 11.577 1.998 -3.184 541 HE2 LYS 63 HE2 LYS 63 12.627 4.222 -3.149 542 HE3 LYS 63 HE3 LYS 63 13.812 2.991 -2.708 543 HZ1 LYS 63 HZ1 LYS 63 13.528 4.252 -5.385 544 HZ2 LYS 63 HZ2 LYS 63 14.667 3.071 -4.973 545 HZ3 LYS 63 HZ3 LYS 63 14.733 4.596 -4.251 546 H TRP 64 H TRP 64 11.702 -2.754 -3.947 547 HA TRP 64 HA TRP 64 13.758 -2.702 -1.969 548 HB2 TRP 64 HB2 TRP 64 11.514 -2.770 -1.173 549 HB3 TRP 64 HB3 TRP 64 11.096 -4.124 -2.214 550 HD1 TRP 64 HD1 TRP 64 13.094 -3.404 1.048 551 HE1 TRP 64 HE1 TRP 64 13.168 -5.580 2.417 552 HE3 TRP 64 HE3 TRP 64 10.840 -6.508 -2.287 553 HZ2 TRP 64 HZ2 TRP 64 12.374 -8.281 2.117 554 HZ3 TRP 64 HZ3 TRP 64 10.518 -8.888 -1.693 555 HH2 TRP 64 HH2 TRP 64 11.276 -9.753 0.471 556 H ARG 65 H ARG 65 12.429 -5.404 -3.917 557 HA ARG 65 HA ARG 65 14.466 -7.274 -3.123 558 HB2 ARG 65 HB2 ARG 65 12.101 -7.880 -3.822 559 HB3 ARG 65 HB3 ARG 65 12.529 -7.468 -5.478 560 HG2 ARG 65 HG2 ARG 65 14.238 -9.285 -5.474 561 HG3 ARG 65 HG3 ARG 65 13.777 -9.692 -3.817 562 HD2 ARG 65 HD2 ARG 65 11.450 -10.165 -4.635 563 HD3 ARG 65 HD3 ARG 65 12.011 -9.867 -6.284 564 HE ARG 65 HE ARG 65 13.571 -11.875 -4.972 565 HH11 ARG 65 HH11 ARG 65 10.604 -11.414 -6.701 566 HH12 ARG 65 HH12 ARG 65 10.457 -13.086 -7.101 567 HH21 ARG 65 HH21 ARG 65 13.346 -13.998 -5.471 568 HH22 ARG 65 HH22 ARG 65 11.991 -14.535 -6.400 569 H LYS 66 H LYS 66 16.455 -6.280 -3.622 570 HA LYS 66 HA LYS 66 17.262 -6.205 -6.446 571 HB2 LYS 66 HB2 LYS 66 16.432 -3.899 -5.733 572 HB3 LYS 66 HB3 LYS 66 17.745 -3.842 -4.563 573 HG2 LYS 66 HG2 LYS 66 18.353 -2.583 -6.545 574 HG3 LYS 66 HG3 LYS 66 19.390 -4.008 -6.426 575 HD2 LYS 66 HD2 LYS 66 18.093 -5.157 -8.141 576 HD3 LYS 66 HD3 LYS 66 16.895 -3.861 -8.174 577 HE2 LYS 66 HE2 LYS 66 19.812 -3.553 -8.981 578 HE3 LYS 66 HE3 LYS 66 18.467 -3.778 -10.101 579 HZ1 LYS 66 HZ1 LYS 66 18.859 -1.483 -8.257 580 HZ2 LYS 66 HZ2 LYS 66 17.492 -1.707 -9.224 581 HZ3 LYS 66 HZ3 LYS 66 19.005 -1.460 -9.938 582 H ARG 67 H ARG 67 18.955 -7.505 -6.514 583 HA ARG 67 HA ARG 67 20.907 -7.797 -4.338 584 HB2 ARG 67 HB2 ARG 67 20.139 -9.843 -5.428 585 HB3 ARG 67 HB3 ARG 67 20.533 -9.207 -7.022 586 HG2 ARG 67 HG2 ARG 67 22.969 -9.243 -6.366 587 HG3 ARG 67 HG3 ARG 67 22.509 -10.022 -4.850 588 HD2 ARG 67 HD2 ARG 67 21.750 -11.999 -6.013 589 HD3 ARG 67 HD3 ARG 67 21.859 -11.188 -7.581 590 HE ARG 67 HE ARG 67 24.399 -11.186 -6.371 591 HH11 ARG 67 HH11 ARG 67 22.241 -13.481 -7.802 592 HH12 ARG 67 HH12 ARG 67 23.531 -14.485 -8.360 593 HH21 ARG 67 HH21 ARG 67 26.010 -12.460 -7.132 594 HH22 ARG 67 HH22 ARG 67 25.632 -13.912 -7.986 595 H GLU 68 H GLU 68 20.536 -5.919 -7.167 596 HA GLU 68 HA GLU 68 21.786 -4.622 -8.517 597 HB2 GLU 68 HB2 GLU 68 24.235 -5.456 -6.900 598 HB3 GLU 68 HB3 GLU 68 24.283 -4.333 -8.257 599 HG2 GLU 68 HG2 GLU 68 22.823 -2.776 -7.026 600 HG3 GLU 68 HG3 GLU 68 22.755 -3.900 -5.668 601 H ARG 69 H ARG 69 22.850 -4.857 -10.479 602 HA ARG 69 HA ARG 69 23.169 -7.649 -11.399 603 HB2 ARG 69 HB2 ARG 69 22.434 -5.109 -12.914 604 HB3 ARG 69 HB3 ARG 69 22.662 -6.684 -13.673 605 HG2 ARG 69 HG2 ARG 69 20.728 -7.578 -12.486 606 HG3 ARG 69 HG3 ARG 69 20.529 -6.062 -11.597 607 HD2 ARG 69 HD2 ARG 69 18.931 -6.191 -13.456 608 HD3 ARG 69 HD3 ARG 69 20.075 -4.876 -13.731 609 HE ARG 69 HE ARG 69 19.977 -7.461 -15.157 610 HH11 ARG 69 HH11 ARG 69 21.363 -4.271 -14.995 611 HH12 ARG 69 HH12 ARG 69 21.997 -4.372 -16.599 612 HH21 ARG 69 HH21 ARG 69 20.806 -7.517 -17.207 613 HH22 ARG 69 HH22 ARG 69 21.687 -6.164 -17.822 614 H PHE 70 H PHE 70 24.732 -8.013 -13.170 615 HA PHE 70 HA PHE 70 27.217 -6.529 -13.102 616 HB2 PHE 70 HB2 PHE 70 26.236 -8.622 -15.109 617 HB3 PHE 70 HB3 PHE 70 27.884 -8.017 -14.989 618 HD1 PHE 70 HD1 PHE 70 29.351 -8.717 -13.107 619 HD2 PHE 70 HD2 PHE 70 25.386 -10.276 -13.505 620 HE1 PHE 70 HE1 PHE 70 29.896 -10.527 -11.530 621 HE2 PHE 70 HE2 PHE 70 25.942 -12.076 -11.924 622 HZ PHE 70 HZ PHE 70 28.194 -12.205 -10.939 623 H GLY 71 H GLY 71 28.087 -5.327 -14.956 624 HA2 GLY 71 HA2 GLY 71 26.095 -3.694 -16.354 625 HA3 GLY 71 HA3 GLY 71 27.841 -3.465 -16.343 626 H GLN 72 H GLN 72 28.819 -3.836 -18.228 627 HA GLN 72 HA GLN 72 28.401 -6.141 -19.866 628 HB2 GLN 72 HB2 GLN 72 26.426 -4.850 -20.632 629 HB3 GLN 72 HB3 GLN 72 27.441 -3.469 -21.010 630 HG2 GLN 72 HG2 GLN 72 27.986 -6.086 -22.408 631 HG3 GLN 72 HG3 GLN 72 26.593 -5.139 -22.905 632 HE21 GLN 72 HE21 GLN 72 27.843 -2.544 -22.530 633 HE22 GLN 72 HE22 GLN 72 29.013 -2.375 -23.785 634 H MET 73 H MET 73 29.548 -2.754 -19.987 635 HA MET 73 HA MET 73 32.310 -3.595 -20.314 636 HB2 MET 73 HB2 MET 73 31.388 -3.601 -22.663 637 HB3 MET 73 HB3 MET 73 31.038 -1.888 -22.498 638 HG2 MET 73 HG2 MET 73 33.436 -1.408 -22.263 639 HG3 MET 73 HG3 MET 73 33.799 -3.133 -22.360 640 HE1 MET 73 HE1 MET 73 32.697 -3.914 -26.094 641 HE2 MET 73 HE2 MET 73 31.669 -4.038 -24.664 642 HE3 MET 73 HE3 MET 73 33.339 -4.603 -24.603 643 H GLN 74 H GLN 74 30.019 -0.864 -20.410 644 HA GLN 74 HA GLN 74 30.058 1.280 -19.701 645 HB2 GLN 74 HB2 GLN 74 31.555 -0.113 -17.467 646 HB3 GLN 74 HB3 GLN 74 31.333 1.630 -17.415 647 HG2 GLN 74 HG2 GLN 74 29.619 0.519 -16.087 648 HG3 GLN 74 HG3 GLN 74 28.887 1.337 -17.465 649 HE21 GLN 74 HE21 GLN 74 27.034 0.063 -17.419 650 HE22 GLN 74 HE22 GLN 74 27.023 -1.604 -17.857 651 H GLN 75 H GLN 75 31.353 1.397 -21.744 652 HA GLN 75 HA GLN 75 34.161 2.156 -21.501 653 HB2 GLN 75 HB2 GLN 75 33.978 2.308 -24.077 654 HB3 GLN 75 HB3 GLN 75 33.799 0.725 -23.338 655 HG2 GLN 75 HG2 GLN 75 31.364 0.845 -23.591 656 HG3 GLN 75 HG3 GLN 75 31.493 2.462 -24.274 657 HE21 GLN 75 HE21 GLN 75 33.793 1.861 -25.965 658 HE22 GLN 75 HE22 GLN 75 33.214 0.841 -27.226 Start of MODEL 12 1 H1 SER 1 H1 SER 1 29.574 -7.309 -24.746 2 H2 SER 1 H2 SER 1 30.955 -7.000 -25.670 3 H3 SER 1 H3 SER 1 29.490 -7.359 -26.433 4 HA SER 1 HA SER 1 30.020 -4.957 -24.773 5 HB2 SER 1 HB2 SER 1 31.249 -4.863 -26.910 6 HB3 SER 1 HB3 SER 1 29.772 -5.234 -27.798 7 HG SER 1 HG SER 1 29.709 -3.107 -27.899 8 H HIS 2 H HIS 2 28.048 -5.670 -23.617 9 HA HIS 2 HA HIS 2 25.485 -5.565 -24.982 10 HB2 HIS 2 HB2 HIS 2 25.849 -7.034 -22.992 11 HB3 HIS 2 HB3 HIS 2 26.102 -5.614 -21.985 12 HD1 HIS 2 HD1 HIS 2 23.422 -7.635 -23.628 13 HD2 HIS 2 HD2 HIS 2 23.721 -4.203 -21.314 14 HE1 HIS 2 HE1 HIS 2 21.083 -7.104 -22.921 15 HE2 HIS 2 HE2 HIS 2 21.267 -4.965 -21.616 16 H MET 3 H MET 3 24.122 -3.818 -25.159 17 HA MET 3 HA MET 3 24.554 -1.304 -23.752 18 HB2 MET 3 HB2 MET 3 25.021 -0.013 -25.865 19 HB3 MET 3 HB3 MET 3 26.323 -1.103 -25.416 20 HG2 MET 3 HG2 MET 3 25.647 -2.690 -27.130 21 HG3 MET 3 HG3 MET 3 24.231 -1.712 -27.522 22 HE1 MET 3 HE1 MET 3 28.569 -0.275 -28.331 23 HE2 MET 3 HE2 MET 3 28.188 -1.785 -27.512 24 HE3 MET 3 HE3 MET 3 27.845 -0.245 -26.719 25 H SER 4 H SER 4 23.217 0.447 -25.429 26 HA SER 4 HA SER 4 21.295 1.168 -26.364 27 HB2 SER 4 HB2 SER 4 20.564 -1.764 -26.761 28 HB3 SER 4 HB3 SER 4 19.697 -0.393 -27.457 29 HG SER 4 HG SER 4 21.567 -1.620 -28.618 30 H ASN 5 H ASN 5 21.469 -0.114 -23.419 31 HA ASN 5 HA ASN 5 18.672 -0.357 -22.710 32 HB2 ASN 5 HB2 ASN 5 21.175 -0.298 -20.977 33 HB3 ASN 5 HB3 ASN 5 19.549 -0.591 -20.364 34 HD21 ASN 5 HD21 ASN 5 18.627 -2.234 -22.520 35 HD22 ASN 5 HD22 ASN 5 19.487 -3.724 -22.424 36 H LYS 6 H LYS 6 17.565 1.524 -22.975 37 HA LYS 6 HA LYS 6 18.224 3.746 -21.127 38 HB2 LYS 6 HB2 LYS 6 17.160 4.001 -23.976 39 HB3 LYS 6 HB3 LYS 6 17.154 5.318 -22.804 40 HG2 LYS 6 HG2 LYS 6 19.648 5.115 -22.643 41 HG3 LYS 6 HG3 LYS 6 19.595 3.912 -23.934 42 HD2 LYS 6 HD2 LYS 6 18.719 5.586 -25.496 43 HD3 LYS 6 HD3 LYS 6 18.616 6.782 -24.198 44 HE2 LYS 6 HE2 LYS 6 21.168 5.541 -25.297 45 HE3 LYS 6 HE3 LYS 6 20.609 7.196 -25.554 46 HZ1 LYS 6 HZ1 LYS 6 20.801 7.566 -23.147 47 HZ2 LYS 6 HZ2 LYS 6 22.281 7.141 -23.843 48 HZ3 LYS 6 HZ3 LYS 6 21.409 5.997 -22.956 49 H GLY 7 H GLY 7 16.848 2.990 -19.551 50 HA2 GLY 7 HA2 GLY 7 14.067 2.345 -20.010 51 HA3 GLY 7 HA3 GLY 7 14.871 2.517 -18.454 52 H LYS 8 H LYS 8 12.742 3.563 -17.934 53 HA LYS 8 HA LYS 8 12.238 6.226 -19.008 54 HB2 LYS 8 HB2 LYS 8 10.845 4.552 -16.883 55 HB3 LYS 8 HB3 LYS 8 10.401 6.228 -17.174 56 HG2 LYS 8 HG2 LYS 8 8.848 4.822 -18.351 57 HG3 LYS 8 HG3 LYS 8 9.855 5.650 -19.539 58 HD2 LYS 8 HD2 LYS 8 11.208 3.582 -19.822 59 HD3 LYS 8 HD3 LYS 8 10.200 2.758 -18.627 60 HE2 LYS 8 HE2 LYS 8 9.258 3.845 -21.311 61 HE3 LYS 8 HE3 LYS 8 9.532 2.147 -20.916 62 HZ1 LYS 8 HZ1 LYS 8 7.202 2.684 -20.775 63 HZ2 LYS 8 HZ2 LYS 8 7.501 3.919 -19.665 64 HZ3 LYS 8 HZ3 LYS 8 7.786 2.308 -19.233 65 H LYS 9 H LYS 9 13.375 7.937 -18.329 66 HA LYS 9 HA LYS 9 14.623 8.117 -15.686 67 HB2 LYS 9 HB2 LYS 9 15.528 10.270 -16.524 68 HB3 LYS 9 HB3 LYS 9 15.856 8.947 -17.639 69 HG2 LYS 9 HG2 LYS 9 13.958 9.706 -19.063 70 HG3 LYS 9 HG3 LYS 9 13.695 11.063 -17.960 71 HD2 LYS 9 HD2 LYS 9 15.957 11.924 -18.477 72 HD3 LYS 9 HD3 LYS 9 16.239 10.558 -19.563 73 HE2 LYS 9 HE2 LYS 9 14.319 11.344 -20.971 74 HE3 LYS 9 HE3 LYS 9 14.158 12.751 -19.916 75 HZ1 LYS 9 HZ1 LYS 9 15.424 13.268 -21.894 76 HZ2 LYS 9 HZ2 LYS 9 16.545 12.054 -21.535 77 HZ3 LYS 9 HZ3 LYS 9 16.408 13.401 -20.525 78 H ARG 10 H ARG 10 11.761 7.954 -15.726 79 HA ARG 10 HA ARG 10 10.551 10.546 -15.432 80 HB2 ARG 10 HB2 ARG 10 9.518 8.288 -16.360 81 HB3 ARG 10 HB3 ARG 10 9.231 7.914 -14.667 82 HG2 ARG 10 HG2 ARG 10 7.214 8.839 -15.576 83 HG3 ARG 10 HG3 ARG 10 7.900 10.051 -14.490 84 HD2 ARG 10 HD2 ARG 10 8.742 11.336 -16.364 85 HD3 ARG 10 HD3 ARG 10 8.313 10.062 -17.507 86 HE ARG 10 HE ARG 10 6.468 11.913 -16.153 87 HH11 ARG 10 HH11 ARG 10 6.894 9.370 -18.476 88 HH12 ARG 10 HH12 ARG 10 5.371 9.662 -19.232 89 HH21 ARG 10 HH21 ARG 10 4.525 12.263 -17.145 90 HH22 ARG 10 HH22 ARG 10 4.053 11.282 -18.484 91 H ARG 11 H ARG 11 11.353 11.603 -13.624 92 HA ARG 11 HA ARG 11 11.611 10.396 -11.021 93 HB2 ARG 11 HB2 ARG 11 11.830 13.227 -12.067 94 HB3 ARG 11 HB3 ARG 11 11.689 12.975 -10.337 95 HG2 ARG 11 HG2 ARG 11 14.035 13.261 -11.084 96 HG3 ARG 11 HG3 ARG 11 13.757 11.724 -10.269 97 HD2 ARG 11 HD2 ARG 11 13.789 10.539 -12.395 98 HD3 ARG 11 HD3 ARG 11 13.864 12.058 -13.283 99 HE ARG 11 HE ARG 11 16.109 12.151 -12.913 100 HH11 ARG 11 HH11 ARG 11 14.863 9.779 -10.704 101 HH12 ARG 11 HH12 ARG 11 16.440 9.243 -10.262 102 HH21 ARG 11 HH21 ARG 11 18.091 11.408 -12.328 103 HH22 ARG 11 HH22 ARG 11 18.228 10.147 -11.155 104 H ASN 12 H ASN 12 9.510 9.397 -10.885 105 HA ASN 12 HA ASN 12 7.102 10.990 -10.788 106 HB2 ASN 12 HB2 ASN 12 7.070 8.673 -11.685 107 HB3 ASN 12 HB3 ASN 12 7.513 8.051 -10.098 108 HD21 ASN 12 HD21 ASN 12 5.621 6.827 -9.919 109 HD22 ASN 12 HD22 ASN 12 4.066 7.531 -9.688 110 H ARG 13 H ARG 13 7.373 12.441 -9.129 111 HA ARG 13 HA ARG 13 6.733 11.428 -6.455 112 HB2 ARG 13 HB2 ARG 13 9.246 11.742 -6.528 113 HB3 ARG 13 HB3 ARG 13 8.995 13.439 -6.907 114 HG2 ARG 13 HG2 ARG 13 9.535 13.220 -4.555 115 HG3 ARG 13 HG3 ARG 13 7.856 13.741 -4.708 116 HD2 ARG 13 HD2 ARG 13 7.155 11.340 -4.372 117 HD3 ARG 13 HD3 ARG 13 8.845 10.943 -4.047 118 HE ARG 13 HE ARG 13 8.588 12.743 -2.211 119 HH11 ARG 13 HH11 ARG 13 6.109 10.494 -3.083 120 HH12 ARG 13 HH12 ARG 13 5.342 10.594 -1.542 121 HH21 ARG 13 HH21 ARG 13 7.596 12.837 -0.250 122 HH22 ARG 13 HH22 ARG 13 6.186 11.894 0.052 123 H THR 14 H THR 14 4.719 12.170 -7.443 124 HA THR 14 HA THR 14 4.010 14.881 -6.648 125 HB THR 14 HB THR 14 4.805 15.236 -8.978 126 HG1 THR 14 HG1 THR 14 3.263 16.687 -8.744 127 HG21 THR 14 HG21 THR 14 4.350 12.999 -9.932 128 HG22 THR 14 HG22 THR 14 3.620 14.272 -10.913 129 HG23 THR 14 HG23 THR 14 2.613 13.308 -9.832 130 H THR 15 H THR 15 3.356 11.822 -6.377 131 HA THR 15 HA THR 15 0.438 11.834 -6.902 132 HB THR 15 HB THR 15 2.382 9.479 -6.744 133 HG1 THR 15 HG1 THR 15 1.538 11.086 -8.820 134 HG21 THR 15 HG21 THR 15 0.510 8.100 -7.564 135 HG22 THR 15 HG22 THR 15 -0.573 9.491 -7.471 136 HG23 THR 15 HG23 THR 15 0.126 8.811 -5.996 137 H PHE 16 H PHE 16 2.702 10.082 -4.727 138 HA PHE 16 HA PHE 16 0.632 9.804 -2.676 139 HB2 PHE 16 HB2 PHE 16 3.494 8.736 -2.663 140 HB3 PHE 16 HB3 PHE 16 2.179 8.237 -1.604 141 HD1 PHE 16 HD1 PHE 16 0.124 7.104 -2.695 142 HD2 PHE 16 HD2 PHE 16 3.861 7.581 -4.718 143 HE1 PHE 16 HE1 PHE 16 -0.498 5.325 -4.274 144 HE2 PHE 16 HE2 PHE 16 3.231 5.796 -6.287 145 HZ PHE 16 HZ PHE 16 1.041 4.672 -6.075 146 H THR 17 H THR 17 0.542 11.010 -0.810 147 HA THR 17 HA THR 17 2.477 13.094 -0.241 148 HB THR 17 HB THR 17 1.119 13.709 1.666 149 HG1 THR 17 HG1 THR 17 -0.653 12.301 2.336 150 HG21 THR 17 HG21 THR 17 0.074 14.267 -0.508 151 HG22 THR 17 HG22 THR 17 -1.151 13.914 0.711 152 HG23 THR 17 HG23 THR 17 -0.758 12.707 -0.515 153 H SER 18 H SER 18 3.446 13.251 2.078 154 HA SER 18 HA SER 18 5.148 11.020 2.585 155 HB2 SER 18 HB2 SER 18 4.558 13.463 4.311 156 HB3 SER 18 HB3 SER 18 5.853 12.304 4.630 157 HG SER 18 HG SER 18 6.976 13.528 3.352 158 H TYR 19 H TYR 19 2.198 12.200 4.233 159 HA TYR 19 HA TYR 19 1.950 10.307 6.288 160 HB2 TYR 19 HB2 TYR 19 0.451 12.143 6.370 161 HB3 TYR 19 HB3 TYR 19 -0.067 11.920 4.704 162 HD1 TYR 19 HD2 TYR 19 -0.211 10.161 8.042 163 HD2 TYR 19 HD1 TYR 19 -2.148 10.886 4.298 164 HE1 TYR 19 HE2 TYR 19 -2.166 8.883 8.802 165 HE2 TYR 19 HE1 TYR 19 -4.096 9.598 5.054 166 HH TYR 19 HH TYR 19 -4.645 7.887 6.682 167 H GLN 20 H GLN 20 0.779 10.139 2.935 168 HA GLN 20 HA GLN 20 -0.487 7.632 3.032 169 HB2 GLN 20 HB2 GLN 20 0.755 9.195 0.740 170 HB3 GLN 20 HB3 GLN 20 -0.041 7.639 0.485 171 HG2 GLN 20 HG2 GLN 20 -2.148 8.494 1.295 172 HG3 GLN 20 HG3 GLN 20 -1.398 10.008 1.800 173 HE21 GLN 20 HE21 GLN 20 -2.992 11.058 0.539 174 HE22 GLN 20 HE22 GLN 20 -2.862 11.162 -1.173 175 H LEU 21 H LEU 21 2.892 8.438 2.151 176 HA LEU 21 HA LEU 21 3.792 5.815 1.611 177 HB2 LEU 21 HB2 LEU 21 5.359 8.191 2.669 178 HB3 LEU 21 HB3 LEU 21 6.091 6.707 2.071 179 HG LEU 21 HG LEU 21 4.490 8.712 0.430 180 HD11 LEU 21 HD11 LEU 21 7.443 8.009 0.394 181 HD12 LEU 21 HD12 LEU 21 6.719 9.516 0.968 182 HD13 LEU 21 HD13 LEU 21 6.628 9.092 -0.739 183 HD21 LEU 21 HD21 LEU 21 5.781 6.115 -0.486 184 HD22 LEU 21 HD22 LEU 21 5.035 7.329 -1.531 185 HD23 LEU 21 HD23 LEU 21 4.048 6.437 -0.380 186 H GLU 22 H GLU 22 3.439 7.514 4.720 187 HA GLU 22 HA GLU 22 4.914 5.781 6.393 188 HB2 GLU 22 HB2 GLU 22 2.434 7.440 7.004 189 HB3 GLU 22 HB3 GLU 22 3.385 6.618 8.241 190 HG2 GLU 22 HG2 GLU 22 5.344 7.975 7.669 191 HG3 GLU 22 HG3 GLU 22 4.445 8.759 6.373 192 H GLU 23 H GLU 23 1.428 5.706 5.562 193 HA GLU 23 HA GLU 23 0.912 3.227 6.934 194 HB2 GLU 23 HB2 GLU 23 -0.741 4.872 4.990 195 HB3 GLU 23 HB3 GLU 23 -1.333 3.378 5.719 196 HG2 GLU 23 HG2 GLU 23 -0.490 5.867 7.240 197 HG3 GLU 23 HG3 GLU 23 -2.152 5.392 6.893 198 H LEU 24 H LEU 24 1.609 4.040 3.543 199 HA LEU 24 HA LEU 24 1.001 1.547 2.338 200 HB2 LEU 24 HB2 LEU 24 2.934 3.756 1.562 201 HB3 LEU 24 HB3 LEU 24 2.707 2.332 0.558 202 HG LEU 24 HG LEU 24 0.429 4.230 1.281 203 HD11 LEU 24 HD11 LEU 24 2.110 5.475 -0.000 204 HD12 LEU 24 HD12 LEU 24 0.649 5.213 -0.950 205 HD13 LEU 24 HD13 LEU 24 2.090 4.237 -1.261 206 HD21 LEU 24 HD21 LEU 24 0.626 2.098 -0.876 207 HD22 LEU 24 HD22 LEU 24 -0.758 3.158 -0.578 208 HD23 LEU 24 HD23 LEU 24 -0.286 1.968 0.631 209 H GLU 25 H GLU 25 4.171 2.823 3.483 210 HA GLU 25 HA GLU 25 5.687 0.458 3.286 211 HB2 GLU 25 HB2 GLU 25 5.946 2.883 5.097 212 HB3 GLU 25 HB3 GLU 25 7.095 1.555 5.167 213 HG2 GLU 25 HG2 GLU 25 6.528 3.192 2.689 214 HG3 GLU 25 HG3 GLU 25 7.846 3.512 3.813 215 H LYS 26 H LYS 26 3.752 1.724 6.005 216 HA LYS 26 HA LYS 26 4.367 -0.163 7.975 217 HB2 LYS 26 HB2 LYS 26 3.243 1.870 8.535 218 HB3 LYS 26 HB3 LYS 26 1.897 1.514 7.470 219 HG2 LYS 26 HG2 LYS 26 0.985 -0.088 8.962 220 HG3 LYS 26 HG3 LYS 26 2.471 -0.177 9.911 221 HD2 LYS 26 HD2 LYS 26 2.072 1.868 10.999 222 HD3 LYS 26 HD3 LYS 26 1.021 2.470 9.719 223 HE2 LYS 26 HE2 LYS 26 0.223 0.192 11.558 224 HE3 LYS 26 HE3 LYS 26 -0.130 1.887 11.900 225 HZ1 LYS 26 HZ1 LYS 26 -1.350 2.022 9.822 226 HZ2 LYS 26 HZ2 LYS 26 -1.989 0.810 10.816 227 HZ3 LYS 26 HZ3 LYS 26 -1.027 0.396 9.495 228 H VAL 27 H VAL 27 1.824 -0.347 5.474 229 HA VAL 27 HA VAL 27 0.835 -2.941 6.219 230 HB VAL 27 HB VAL 27 0.582 -1.399 3.598 231 HG11 VAL 27 HG11 VAL 27 -1.257 -2.982 2.998 232 HG12 VAL 27 HG12 VAL 27 -0.852 -3.966 4.405 233 HG13 VAL 27 HG13 VAL 27 0.311 -3.794 3.091 234 HG21 VAL 27 HG21 VAL 27 -1.731 -0.951 4.364 235 HG22 VAL 27 HG22 VAL 27 -0.546 -0.327 5.513 236 HG23 VAL 27 HG23 VAL 27 -1.409 -1.828 5.861 237 H PHE 28 H PHE 28 3.326 -1.819 3.929 238 HA PHE 28 HA PHE 28 3.885 -4.274 2.636 239 HB2 PHE 28 HB2 PHE 28 4.628 -2.073 1.757 240 HB3 PHE 28 HB3 PHE 28 5.754 -1.902 3.099 241 HD1 PHE 28 HD1 PHE 28 4.981 -4.045 0.123 242 HD2 PHE 28 HD2 PHE 28 7.978 -2.807 2.916 243 HE1 PHE 28 HE1 PHE 28 6.697 -5.212 -1.194 244 HE2 PHE 28 HE2 PHE 28 9.688 -3.979 1.588 245 HZ PHE 28 HZ PHE 28 9.052 -5.181 -0.468 246 H GLN 29 H GLN 29 5.176 -2.904 5.656 247 HA GLN 29 HA GLN 29 7.324 -4.818 5.916 248 HB2 GLN 29 HB2 GLN 29 6.224 -2.873 7.987 249 HB3 GLN 29 HB3 GLN 29 7.745 -3.755 8.109 250 HG2 GLN 29 HG2 GLN 29 7.053 -1.599 6.096 251 HG3 GLN 29 HG3 GLN 29 8.161 -1.448 7.453 252 HE21 GLN 29 HE21 GLN 29 8.573 -1.060 4.541 253 HE22 GLN 29 HE22 GLN 29 9.890 -2.099 4.124 254 H LYS 30 H LYS 30 4.030 -4.538 7.186 255 HA LYS 30 HA LYS 30 4.106 -6.864 8.876 256 HB2 LYS 30 HB2 LYS 30 1.737 -5.558 7.466 257 HB3 LYS 30 HB3 LYS 30 1.607 -6.795 8.716 258 HG2 LYS 30 HG2 LYS 30 2.620 -5.256 10.352 259 HG3 LYS 30 HG3 LYS 30 2.776 -4.019 9.099 260 HD2 LYS 30 HD2 LYS 30 0.304 -3.981 8.838 261 HD3 LYS 30 HD3 LYS 30 0.154 -5.222 10.087 262 HE2 LYS 30 HE2 LYS 30 1.160 -3.646 11.733 263 HE3 LYS 30 HE3 LYS 30 1.239 -2.407 10.477 264 HZ1 LYS 30 HZ1 LYS 30 -1.221 -3.685 11.538 265 HZ2 LYS 30 HZ2 LYS 30 -1.188 -2.563 10.278 266 HZ3 LYS 30 HZ3 LYS 30 -0.704 -2.107 11.833 267 H THR 31 H THR 31 3.035 -6.269 5.548 268 HA THR 31 HA THR 31 3.432 -9.048 4.742 269 HB THR 31 HB THR 31 1.127 -9.192 5.415 270 HG1 THR 31 HG1 THR 31 0.368 -8.933 2.841 271 HG21 THR 31 HG21 THR 31 0.529 -6.785 5.493 272 HG22 THR 31 HG22 THR 31 -0.679 -7.725 4.615 273 HG23 THR 31 HG23 THR 31 0.486 -6.743 3.726 274 H HIS 32 H HIS 32 4.807 -8.789 3.096 275 HA HIS 32 HA HIS 32 5.178 -6.473 1.530 276 HB2 HIS 32 HB2 HIS 32 6.042 -9.350 1.021 277 HB3 HIS 32 HB3 HIS 32 6.544 -8.000 0.010 278 HD1 HIS 32 HD1 HIS 32 9.005 -8.069 0.554 279 HD2 HIS 32 HD2 HIS 32 6.633 -7.826 3.956 280 HE1 HIS 32 HE1 HIS 32 10.584 -7.645 2.449 281 HE2 HIS 32 HE2 HIS 32 9.107 -7.257 4.429 282 H TYR 33 H TYR 33 3.051 -9.185 1.119 283 HA TYR 33 HA TYR 33 2.028 -8.134 -1.462 284 HB2 TYR 33 HB2 TYR 33 1.716 -11.012 -0.496 285 HB3 TYR 33 HB3 TYR 33 1.496 -10.383 -2.126 286 HD1 TYR 33 HD2 TYR 33 3.599 -9.568 -3.407 287 HD2 TYR 33 HD1 TYR 33 3.843 -11.867 0.187 288 HE1 TYR 33 HE2 TYR 33 5.939 -10.122 -3.914 289 HE2 TYR 33 HE1 TYR 33 6.186 -12.407 -0.311 290 HH TYR 33 HH TYR 33 7.676 -12.545 -2.236 291 HA PRO 34 HA PRO 34 -1.369 -7.509 1.719 292 HB2 PRO 34 HB2 PRO 34 -2.490 -5.289 0.540 293 HB3 PRO 34 HB3 PRO 34 -1.085 -5.202 1.614 294 HG2 PRO 34 HG2 PRO 34 -1.150 -5.269 -1.406 295 HG3 PRO 34 HG3 PRO 34 -0.250 -4.171 -0.335 296 HD2 PRO 34 HD2 PRO 34 0.965 -6.293 -1.450 297 HD3 PRO 34 HD3 PRO 34 1.358 -5.799 0.209 298 H ASP 35 H ASP 35 -3.252 -8.579 1.598 299 HA ASP 35 HA ASP 35 -4.417 -9.499 -0.887 300 HB2 ASP 35 HB2 ASP 35 -6.059 -10.629 0.622 301 HB3 ASP 35 HB3 ASP 35 -4.392 -10.976 1.064 302 H VAL 36 H VAL 36 -7.101 -9.377 -0.669 303 HA VAL 36 HA VAL 36 -7.811 -6.808 -1.563 304 HB VAL 36 HB VAL 36 -9.045 -8.856 -2.208 305 HG11 VAL 36 HG11 VAL 36 -10.722 -9.913 -0.714 306 HG12 VAL 36 HG12 VAL 36 -10.207 -8.860 0.611 307 HG13 VAL 36 HG13 VAL 36 -9.087 -10.055 -0.053 308 HG21 VAL 36 HG21 VAL 36 -10.848 -6.765 -0.926 309 HG22 VAL 36 HG22 VAL 36 -11.349 -7.931 -2.154 310 HG23 VAL 36 HG23 VAL 36 -10.159 -6.690 -2.550 311 H TYR 37 H TYR 37 -8.216 -8.298 1.639 312 HA TYR 37 HA TYR 37 -9.830 -6.194 2.771 313 HB2 TYR 37 HB2 TYR 37 -9.998 -8.549 3.534 314 HB3 TYR 37 HB3 TYR 37 -8.345 -8.488 4.131 315 HD1 TYR 37 HD2 TYR 37 -11.683 -6.852 4.551 316 HD2 TYR 37 HD1 TYR 37 -7.964 -7.857 6.399 317 HE1 TYR 37 HE2 TYR 37 -12.550 -6.083 6.727 318 HE2 TYR 37 HE1 TYR 37 -8.825 -7.095 8.570 319 HH TYR 37 HH TYR 37 -10.569 -5.525 9.403 320 H ALA 38 H ALA 38 -6.390 -7.090 2.912 321 HA ALA 38 HA ALA 38 -5.433 -5.068 4.626 322 HB1 ALA 38 HB1 ALA 38 -4.019 -6.318 2.253 323 HB2 ALA 38 HB2 ALA 38 -4.054 -6.971 3.893 324 HB3 ALA 38 HB3 ALA 38 -3.243 -5.435 3.571 325 H ARG 39 H ARG 39 -6.212 -4.994 1.162 326 HA ARG 39 HA ARG 39 -5.324 -2.291 0.683 327 HB2 ARG 39 HB2 ARG 39 -7.169 -4.102 -0.911 328 HB3 ARG 39 HB3 ARG 39 -6.658 -2.504 -1.455 329 HG2 ARG 39 HG2 ARG 39 -4.303 -3.270 -1.479 330 HG3 ARG 39 HG3 ARG 39 -4.829 -4.875 -0.949 331 HD2 ARG 39 HD2 ARG 39 -6.220 -5.087 -3.005 332 HD3 ARG 39 HD3 ARG 39 -5.654 -3.501 -3.536 333 HE ARG 39 HE ARG 39 -3.526 -4.400 -3.960 334 HH11 ARG 39 HH11 ARG 39 -5.654 -6.887 -2.815 335 HH12 ARG 39 HH12 ARG 39 -4.723 -8.146 -3.537 336 HH21 ARG 39 HH21 ARG 39 -2.390 -6.011 -4.879 337 HH22 ARG 39 HH22 ARG 39 -2.883 -7.656 -4.690 338 H GLU 40 H GLU 40 -8.441 -3.761 1.681 339 HA GLU 40 HA GLU 40 -10.158 -1.566 1.244 340 HB2 GLU 40 HB2 GLU 40 -10.302 -3.555 3.556 341 HB3 GLU 40 HB3 GLU 40 -11.610 -2.489 3.050 342 HG2 GLU 40 HG2 GLU 40 -10.446 -4.819 1.499 343 HG3 GLU 40 HG3 GLU 40 -12.021 -4.744 2.277 344 H GLN 41 H GLN 41 -8.349 -2.447 4.163 345 HA GLN 41 HA GLN 41 -9.046 -0.208 5.765 346 HB2 GLN 41 HB2 GLN 41 -6.541 -1.930 6.032 347 HB3 GLN 41 HB3 GLN 41 -7.345 -1.026 7.316 348 HG2 GLN 41 HG2 GLN 41 -9.273 -2.540 7.203 349 HG3 GLN 41 HG3 GLN 41 -8.548 -3.392 5.841 350 HE21 GLN 41 HE21 GLN 41 -8.467 -2.932 9.292 351 HE22 GLN 41 HE22 GLN 41 -7.400 -4.242 9.637 352 H LEU 42 H LEU 42 -6.186 -0.897 3.755 353 HA LEU 42 HA LEU 42 -4.680 1.423 4.411 354 HB2 LEU 42 HB2 LEU 42 -3.637 -0.590 3.542 355 HB3 LEU 42 HB3 LEU 42 -4.543 -0.473 2.046 356 HG LEU 42 HG LEU 42 -3.256 1.530 1.385 357 HD11 LEU 42 HD11 LEU 42 -1.729 1.197 3.986 358 HD12 LEU 42 HD12 LEU 42 -2.812 2.529 3.571 359 HD13 LEU 42 HD13 LEU 42 -1.313 2.303 2.675 360 HD21 LEU 42 HD21 LEU 42 -2.424 -0.685 0.739 361 HD22 LEU 42 HD22 LEU 42 -1.472 -0.776 2.222 362 HD23 LEU 42 HD23 LEU 42 -1.091 0.441 1.005 363 H ALA 43 H ALA 43 -6.908 0.773 1.698 364 HA ALA 43 HA ALA 43 -6.354 3.177 0.242 365 HB1 ALA 43 HB1 ALA 43 -7.273 1.172 -0.853 366 HB2 ALA 43 HB2 ALA 43 -8.291 2.585 -1.138 367 HB3 ALA 43 HB3 ALA 43 -8.778 1.364 0.044 368 H MET 44 H MET 44 -8.773 2.336 2.719 369 HA MET 44 HA MET 44 -10.187 4.850 2.610 370 HB2 MET 44 HB2 MET 44 -10.047 2.729 4.796 371 HB3 MET 44 HB3 MET 44 -11.104 4.137 4.859 372 HG2 MET 44 HG2 MET 44 -12.226 3.354 2.785 373 HG3 MET 44 HG3 MET 44 -11.218 1.905 2.810 374 HE1 MET 44 HE1 MET 44 -12.478 0.162 6.128 375 HE2 MET 44 HE2 MET 44 -11.090 1.233 5.940 376 HE3 MET 44 HE3 MET 44 -11.422 -0.002 4.727 377 H ARG 45 H ARG 45 -7.497 3.578 4.533 378 HA ARG 45 HA ARG 45 -7.080 5.638 6.386 379 HB2 ARG 45 HB2 ARG 45 -5.753 3.215 5.589 380 HB3 ARG 45 HB3 ARG 45 -4.522 4.457 5.504 381 HG2 ARG 45 HG2 ARG 45 -6.199 3.780 7.945 382 HG3 ARG 45 HG3 ARG 45 -4.522 3.295 7.671 383 HD2 ARG 45 HD2 ARG 45 -3.930 5.756 7.573 384 HD3 ARG 45 HD3 ARG 45 -5.588 6.109 8.074 385 HE ARG 45 HE ARG 45 -4.243 4.296 9.852 386 HH11 ARG 45 HH11 ARG 45 -4.652 7.664 9.135 387 HH12 ARG 45 HH12 ARG 45 -4.181 8.154 10.721 388 HH21 ARG 45 HH21 ARG 45 -3.643 4.978 11.863 389 HH22 ARG 45 HH22 ARG 45 -3.633 6.664 12.238 390 H THR 46 H THR 46 -5.543 5.161 3.206 391 HA THR 46 HA THR 46 -4.113 7.716 3.320 392 HB THR 46 HB THR 46 -2.996 6.901 1.228 393 HG1 THR 46 HG1 THR 46 -3.913 4.318 1.413 394 HG21 THR 46 HG21 THR 46 -2.988 4.856 3.485 395 HG22 THR 46 HG22 THR 46 -1.998 6.318 3.416 396 HG23 THR 46 HG23 THR 46 -1.749 5.026 2.239 397 H ASP 47 H ASP 47 -7.134 6.778 2.214 398 HA ASP 47 HA ASP 47 -8.749 7.638 0.889 399 HB2 ASP 47 HB2 ASP 47 -6.893 10.049 0.831 400 HB3 ASP 47 HB3 ASP 47 -8.509 10.073 0.137 401 H LEU 48 H LEU 48 -6.397 6.156 -0.306 402 HA LEU 48 HA LEU 48 -6.209 7.213 -3.036 403 HB2 LEU 48 HB2 LEU 48 -4.781 4.918 -1.644 404 HB3 LEU 48 HB3 LEU 48 -4.518 5.352 -3.330 405 HG LEU 48 HG LEU 48 -3.937 7.151 -0.939 406 HD11 LEU 48 HD11 LEU 48 -1.568 6.801 -1.487 407 HD12 LEU 48 HD12 LEU 48 -2.015 5.646 -2.746 408 HD13 LEU 48 HD13 LEU 48 -2.364 5.288 -1.052 409 HD21 LEU 48 HD21 LEU 48 -3.414 7.624 -3.899 410 HD22 LEU 48 HD22 LEU 48 -2.861 8.658 -2.580 411 HD23 LEU 48 HD23 LEU 48 -4.583 8.481 -2.891 412 H THR 49 H THR 49 -6.718 6.051 -4.886 413 HA THR 49 HA THR 49 -8.883 4.215 -4.965 414 HB THR 49 HB THR 49 -6.777 4.845 -7.103 415 HG1 THR 49 HG1 THR 49 -9.220 6.016 -7.421 416 HG21 THR 49 HG21 THR 49 -8.078 2.815 -7.698 417 HG22 THR 49 HG22 THR 49 -8.483 4.166 -8.760 418 HG23 THR 49 HG23 THR 49 -9.583 3.709 -7.457 419 H GLU 50 H GLU 50 -8.882 1.918 -5.459 420 HA GLU 50 HA GLU 50 -6.985 0.221 -4.316 421 HB2 GLU 50 HB2 GLU 50 -8.760 -0.432 -6.708 422 HB3 GLU 50 HB3 GLU 50 -8.009 -1.612 -5.636 423 HG2 GLU 50 HG2 GLU 50 -9.396 -0.831 -3.780 424 HG3 GLU 50 HG3 GLU 50 -10.113 0.409 -4.810 425 H ALA 51 H ALA 51 -7.308 1.134 -7.748 426 HA ALA 51 HA ALA 51 -5.113 -0.216 -8.867 427 HB1 ALA 51 HB1 ALA 51 -6.914 0.813 -10.192 428 HB2 ALA 51 HB2 ALA 51 -5.335 1.382 -10.737 429 HB3 ALA 51 HB3 ALA 51 -6.351 2.421 -9.730 430 H ARG 52 H ARG 52 -5.248 2.936 -7.254 431 HA ARG 52 HA ARG 52 -2.642 3.893 -7.841 432 HB2 ARG 52 HB2 ARG 52 -4.624 5.210 -6.863 433 HB3 ARG 52 HB3 ARG 52 -4.224 4.494 -5.309 434 HG2 ARG 52 HG2 ARG 52 -3.209 6.607 -5.247 435 HG3 ARG 52 HG3 ARG 52 -1.878 5.509 -5.620 436 HD2 ARG 52 HD2 ARG 52 -1.682 7.443 -7.042 437 HD3 ARG 52 HD3 ARG 52 -2.181 6.088 -8.059 438 HE ARG 52 HE ARG 52 -4.234 7.895 -6.991 439 HH11 ARG 52 HH11 ARG 52 -2.494 6.833 -9.795 440 HH12 ARG 52 HH12 ARG 52 -3.605 7.588 -10.875 441 HH21 ARG 52 HH21 ARG 52 -5.605 8.838 -8.394 442 HH22 ARG 52 HH22 ARG 52 -5.330 8.713 -10.095 443 H VAL 53 H VAL 53 -3.933 2.076 -5.079 444 HA VAL 53 HA VAL 53 -1.586 1.770 -3.542 445 HB VAL 53 HB VAL 53 -4.102 0.045 -3.686 446 HG11 VAL 53 HG11 VAL 53 -2.303 -1.304 -2.694 447 HG12 VAL 53 HG12 VAL 53 -3.476 -0.853 -1.454 448 HG13 VAL 53 HG13 VAL 53 -1.930 -0.006 -1.556 449 HG21 VAL 53 HG21 VAL 53 -3.327 2.244 -1.726 450 HG22 VAL 53 HG22 VAL 53 -4.800 1.275 -1.648 451 HG23 VAL 53 HG23 VAL 53 -4.540 2.377 -3.002 452 H GLN 54 H GLN 54 -2.993 -0.263 -6.119 453 HA GLN 54 HA GLN 54 -1.292 -2.477 -6.071 454 HB2 GLN 54 HB2 GLN 54 -2.556 -1.169 -8.521 455 HB3 GLN 54 HB3 GLN 54 -1.831 -2.772 -8.508 456 HG2 GLN 54 HG2 GLN 54 -4.256 -1.965 -6.877 457 HG3 GLN 54 HG3 GLN 54 -4.318 -2.773 -8.438 458 HE21 GLN 54 HE21 GLN 54 -5.386 -4.577 -7.632 459 HE22 GLN 54 HE22 GLN 54 -4.632 -5.728 -6.586 460 H VAL 55 H VAL 55 -0.953 0.473 -8.050 461 HA VAL 55 HA VAL 55 1.404 -0.007 -9.414 462 HB VAL 55 HB VAL 55 0.317 2.649 -8.374 463 HG11 VAL 55 HG11 VAL 55 2.495 2.219 -10.464 464 HG12 VAL 55 HG12 VAL 55 2.702 2.974 -8.881 465 HG13 VAL 55 HG13 VAL 55 1.719 3.767 -10.113 466 HG21 VAL 55 HG21 VAL 55 -1.209 1.461 -9.909 467 HG22 VAL 55 HG22 VAL 55 0.074 1.339 -11.113 468 HG23 VAL 55 HG23 VAL 55 -0.574 2.921 -10.671 469 H TRP 56 H TRP 56 1.076 1.468 -6.177 470 HA TRP 56 HA TRP 56 3.760 2.174 -5.762 471 HB2 TRP 56 HB2 TRP 56 1.820 2.955 -4.348 472 HB3 TRP 56 HB3 TRP 56 1.783 1.368 -3.583 473 HD1 TRP 56 HD1 TRP 56 3.925 4.566 -3.758 474 HE1 TRP 56 HE1 TRP 56 5.551 4.593 -1.779 475 HE3 TRP 56 HE3 TRP 56 3.066 -0.127 -1.912 476 HZ2 TRP 56 HZ2 TRP 56 6.381 2.865 0.297 477 HZ3 TRP 56 HZ3 TRP 56 4.324 -0.865 0.066 478 HH2 TRP 56 HH2 TRP 56 5.951 0.601 1.144 479 H PHE 57 H PHE 57 2.030 -0.783 -4.668 480 HA PHE 57 HA PHE 57 4.298 -2.014 -3.466 481 HB2 PHE 57 HB2 PHE 57 1.574 -3.085 -4.277 482 HB3 PHE 57 HB3 PHE 57 2.808 -4.147 -3.603 483 HD1 PHE 57 HD1 PHE 57 3.537 -3.907 -1.266 484 HD2 PHE 57 HD2 PHE 57 0.442 -1.431 -2.854 485 HE1 PHE 57 HE1 PHE 57 2.905 -3.229 1.006 486 HE2 PHE 57 HE2 PHE 57 -0.180 -0.753 -0.579 487 HZ PHE 57 HZ PHE 57 1.050 -1.648 1.358 488 H GLN 58 H GLN 58 3.062 -2.157 -6.805 489 HA GLN 58 HA GLN 58 4.602 -4.379 -7.685 490 HB2 GLN 58 HB2 GLN 58 3.609 -1.980 -9.282 491 HB3 GLN 58 HB3 GLN 58 4.280 -3.444 -9.993 492 HG2 GLN 58 HG2 GLN 58 1.687 -3.170 -8.450 493 HG3 GLN 58 HG3 GLN 58 1.885 -3.544 -10.157 494 HE21 GLN 58 HE21 GLN 58 1.992 -4.807 -6.911 495 HE22 GLN 58 HE22 GLN 58 2.093 -6.472 -7.351 496 H ASN 59 H ASN 59 5.343 -0.872 -7.738 497 HA ASN 59 HA ASN 59 8.022 -1.175 -8.756 498 HB2 ASN 59 HB2 ASN 59 6.582 1.167 -7.455 499 HB3 ASN 59 HB3 ASN 59 8.257 1.271 -7.994 500 HD21 ASN 59 HD21 ASN 59 4.933 1.093 -9.034 501 HD22 ASN 59 HD22 ASN 59 5.238 1.429 -10.696 502 H ARG 60 H ARG 60 6.625 -1.155 -5.535 503 HA ARG 60 HA ARG 60 8.988 -0.568 -4.042 504 HB2 ARG 60 HB2 ARG 60 6.704 -0.233 -3.131 505 HB3 ARG 60 HB3 ARG 60 6.429 -1.969 -3.164 506 HG2 ARG 60 HG2 ARG 60 6.913 -1.176 -0.894 507 HG3 ARG 60 HG3 ARG 60 8.139 -2.316 -1.449 508 HD2 ARG 60 HD2 ARG 60 9.669 -0.438 -1.936 509 HD3 ARG 60 HD3 ARG 60 8.430 0.710 -1.418 510 HE ARG 60 HE ARG 60 8.704 -0.002 0.814 511 HH11 ARG 60 HH11 ARG 60 10.998 -1.611 -1.250 512 HH12 ARG 60 HH12 ARG 60 12.072 -1.952 0.059 513 HH21 ARG 60 HH21 ARG 60 10.072 -0.462 2.444 514 HH22 ARG 60 HH22 ARG 60 11.548 -1.316 2.138 515 H ARG 61 H ARG 61 7.363 -3.659 -4.836 516 HA ARG 61 HA ARG 61 9.270 -5.407 -3.589 517 HB2 ARG 61 HB2 ARG 61 7.352 -5.988 -5.882 518 HB3 ARG 61 HB3 ARG 61 8.166 -7.203 -4.894 519 HG2 ARG 61 HG2 ARG 61 6.873 -6.601 -2.952 520 HG3 ARG 61 HG3 ARG 61 6.223 -5.169 -3.762 521 HD2 ARG 61 HD2 ARG 61 5.182 -6.757 -5.467 522 HD3 ARG 61 HD3 ARG 61 5.614 -8.077 -4.372 523 HE ARG 61 HE ARG 61 4.250 -6.406 -2.757 524 HH11 ARG 61 HH11 ARG 61 3.437 -7.775 -5.830 525 HH12 ARG 61 HH12 ARG 61 1.741 -7.680 -5.523 526 HH21 ARG 61 HH21 ARG 61 2.126 -6.262 -2.430 527 HH22 ARG 61 HH22 ARG 61 1.008 -6.807 -3.625 528 H ALA 62 H ALA 62 8.900 -4.092 -6.850 529 HA ALA 62 HA ALA 62 10.899 -5.524 -8.221 530 HB1 ALA 62 HB1 ALA 62 9.195 -4.153 -9.362 531 HB2 ALA 62 HB2 ALA 62 10.821 -3.704 -9.879 532 HB3 ALA 62 HB3 ALA 62 9.944 -2.686 -8.732 533 H LYS 63 H LYS 63 11.105 -2.484 -6.349 534 HA LYS 63 HA LYS 63 13.959 -2.168 -6.726 535 HB2 LYS 63 HB2 LYS 63 12.382 -0.224 -6.289 536 HB3 LYS 63 HB3 LYS 63 12.209 -0.803 -4.634 537 HG2 LYS 63 HG2 LYS 63 14.767 -0.587 -4.443 538 HG3 LYS 63 HG3 LYS 63 14.709 0.275 -5.981 539 HD2 LYS 63 HD2 LYS 63 14.782 1.880 -4.162 540 HD3 LYS 63 HD3 LYS 63 13.199 1.971 -4.936 541 HE2 LYS 63 HE2 LYS 63 12.163 0.769 -3.110 542 HE3 LYS 63 HE3 LYS 63 13.730 0.364 -2.408 543 HZ1 LYS 63 HZ1 LYS 63 14.094 2.691 -1.939 544 HZ2 LYS 63 HZ2 LYS 63 12.646 2.165 -1.242 545 HZ3 LYS 63 HZ3 LYS 63 12.612 3.101 -2.646 546 H TRP 64 H TRP 64 11.870 -3.647 -4.268 547 HA TRP 64 HA TRP 64 13.690 -3.885 -2.124 548 HB2 TRP 64 HB2 TRP 64 11.184 -4.300 -1.999 549 HB3 TRP 64 HB3 TRP 64 11.446 -5.852 -2.786 550 HD1 TRP 64 HD1 TRP 64 12.020 -4.045 0.558 551 HE1 TRP 64 HE1 TRP 64 12.535 -5.781 2.377 552 HE3 TRP 64 HE3 TRP 64 12.371 -8.230 -2.366 553 HZ2 TRP 64 HZ2 TRP 64 13.037 -8.548 2.566 554 HZ3 TRP 64 HZ3 TRP 64 12.876 -10.386 -1.289 555 HH2 TRP 64 HH2 TRP 64 13.203 -10.541 1.131 556 H ARG 65 H ARG 65 13.058 -6.023 -4.894 557 HA ARG 65 HA ARG 65 15.311 -7.787 -4.233 558 HB2 ARG 65 HB2 ARG 65 13.346 -7.896 -6.569 559 HB3 ARG 65 HB3 ARG 65 14.545 -9.130 -6.171 560 HG2 ARG 65 HG2 ARG 65 13.395 -9.496 -3.978 561 HG3 ARG 65 HG3 ARG 65 12.161 -8.326 -4.455 562 HD2 ARG 65 HD2 ARG 65 11.566 -9.789 -6.380 563 HD3 ARG 65 HD3 ARG 65 12.777 -10.962 -5.845 564 HE ARG 65 HE ARG 65 10.514 -10.194 -4.099 565 HH11 ARG 65 HH11 ARG 65 12.305 -12.713 -5.674 566 HH12 ARG 65 HH12 ARG 65 11.360 -13.963 -4.949 567 HH21 ARG 65 HH21 ARG 65 9.320 -11.829 -3.221 568 HH22 ARG 65 HH22 ARG 65 9.697 -13.473 -3.595 569 H LYS 66 H LYS 66 14.671 -4.998 -6.099 570 HA LYS 66 HA LYS 66 15.571 -3.904 -7.865 571 HB2 LYS 66 HB2 LYS 66 17.836 -3.059 -7.436 572 HB3 LYS 66 HB3 LYS 66 16.841 -3.055 -5.987 573 HG2 LYS 66 HG2 LYS 66 18.027 -5.128 -5.218 574 HG3 LYS 66 HG3 LYS 66 19.059 -5.022 -6.653 575 HD2 LYS 66 HD2 LYS 66 19.751 -2.702 -5.857 576 HD3 LYS 66 HD3 LYS 66 18.887 -3.033 -4.351 577 HE2 LYS 66 HE2 LYS 66 21.241 -3.502 -4.016 578 HE3 LYS 66 HE3 LYS 66 20.374 -5.039 -4.020 579 HZ1 LYS 66 HZ1 LYS 66 22.382 -5.165 -5.329 580 HZ2 LYS 66 HZ2 LYS 66 21.874 -3.883 -6.306 581 HZ3 LYS 66 HZ3 LYS 66 21.035 -5.350 -6.331 582 H ARG 67 H ARG 67 15.016 -5.945 -9.083 583 HA ARG 67 HA ARG 67 17.318 -7.324 -10.320 584 HB2 ARG 67 HB2 ARG 67 15.565 -8.738 -9.309 585 HB3 ARG 67 HB3 ARG 67 14.338 -7.977 -10.314 586 HG2 ARG 67 HG2 ARG 67 15.441 -8.940 -12.339 587 HG3 ARG 67 HG3 ARG 67 16.623 -9.730 -11.289 588 HD2 ARG 67 HD2 ARG 67 14.773 -10.963 -10.181 589 HD3 ARG 67 HD3 ARG 67 13.626 -10.219 -11.301 590 HE ARG 67 HE ARG 67 15.566 -11.476 -12.855 591 HH11 ARG 67 HH11 ARG 67 13.149 -12.460 -10.589 592 HH12 ARG 67 HH12 ARG 67 12.964 -14.018 -11.300 593 HH21 ARG 67 HH21 ARG 67 15.319 -13.488 -13.742 594 HH22 ARG 67 HH22 ARG 67 14.181 -14.596 -13.065 595 H GLU 68 H GLU 68 17.903 -6.882 -12.407 596 HA GLU 68 HA GLU 68 16.560 -5.090 -14.167 597 HB2 GLU 68 HB2 GLU 68 18.938 -5.456 -14.449 598 HB3 GLU 68 HB3 GLU 68 18.709 -7.183 -14.667 599 HG2 GLU 68 HG2 GLU 68 19.251 -6.094 -16.787 600 HG3 GLU 68 HG3 GLU 68 17.640 -6.805 -16.834 601 H ARG 69 H ARG 69 15.025 -5.435 -15.706 602 HA ARG 69 HA ARG 69 14.135 -8.072 -16.519 603 HB2 ARG 69 HB2 ARG 69 13.122 -7.774 -14.229 604 HB3 ARG 69 HB3 ARG 69 12.296 -6.334 -14.810 605 HG2 ARG 69 HG2 ARG 69 11.022 -7.733 -16.428 606 HG3 ARG 69 HG3 ARG 69 11.845 -9.171 -15.810 607 HD2 ARG 69 HD2 ARG 69 10.875 -8.766 -13.572 608 HD3 ARG 69 HD3 ARG 69 10.074 -7.314 -14.184 609 HE ARG 69 HE ARG 69 9.476 -9.991 -15.283 610 HH11 ARG 69 HH11 ARG 69 8.320 -7.014 -13.917 611 HH12 ARG 69 HH12 ARG 69 6.664 -7.486 -14.051 612 HH21 ARG 69 HH21 ARG 69 7.360 -10.556 -15.436 613 HH22 ARG 69 HH22 ARG 69 6.131 -9.465 -14.904 614 H PHE 70 H PHE 70 14.558 -7.269 -18.593 615 HA PHE 70 HA PHE 70 13.552 -4.875 -19.706 616 HB2 PHE 70 HB2 PHE 70 14.170 -5.872 -21.920 617 HB3 PHE 70 HB3 PHE 70 15.461 -5.967 -20.735 618 HD1 PHE 70 HD1 PHE 70 16.140 -8.162 -19.779 619 HD2 PHE 70 HD2 PHE 70 13.120 -7.919 -22.804 620 HE1 PHE 70 HE1 PHE 70 16.363 -10.576 -20.204 621 HE2 PHE 70 HE2 PHE 70 13.350 -10.335 -23.219 622 HZ PHE 70 HZ PHE 70 14.971 -11.663 -21.922 623 H GLY 71 H GLY 71 11.735 -4.391 -20.902 624 HA2 GLY 71 HA2 GLY 71 9.392 -6.120 -20.514 625 HA3 GLY 71 HA3 GLY 71 9.393 -4.434 -20.991 626 H GLN 72 H GLN 72 7.997 -6.789 -22.122 627 HA GLN 72 HA GLN 72 8.988 -6.849 -24.918 628 HB2 GLN 72 HB2 GLN 72 7.601 -8.889 -25.157 629 HB3 GLN 72 HB3 GLN 72 8.745 -9.055 -23.830 630 HG2 GLN 72 HG2 GLN 72 6.983 -8.667 -22.192 631 HG3 GLN 72 HG3 GLN 72 5.818 -8.327 -23.471 632 HE21 GLN 72 HE21 GLN 72 4.424 -9.961 -22.828 633 HE22 GLN 72 HE22 GLN 72 4.782 -11.635 -23.023 634 H MET 73 H MET 73 7.550 -4.531 -23.880 635 HA MET 73 HA MET 73 4.744 -4.647 -24.233 636 HB2 MET 73 HB2 MET 73 5.902 -2.991 -22.798 637 HB3 MET 73 HB3 MET 73 6.571 -2.216 -24.226 638 HG2 MET 73 HG2 MET 73 4.302 -1.593 -24.954 639 HG3 MET 73 HG3 MET 73 3.623 -2.380 -23.528 640 HE1 MET 73 HE1 MET 73 4.098 -1.504 -20.991 641 HE2 MET 73 HE2 MET 73 5.099 -0.093 -20.639 642 HE3 MET 73 HE3 MET 73 5.837 -1.556 -21.290 643 H GLN 74 H GLN 74 4.104 -5.409 -26.176 644 HA GLN 74 HA GLN 74 4.888 -4.145 -28.720 645 HB2 GLN 74 HB2 GLN 74 4.839 -6.600 -28.620 646 HB3 GLN 74 HB3 GLN 74 3.168 -6.582 -28.068 647 HG2 GLN 74 HG2 GLN 74 2.483 -5.622 -30.267 648 HG3 GLN 74 HG3 GLN 74 4.162 -5.690 -30.795 649 HE21 GLN 74 HE21 GLN 74 1.343 -7.607 -29.986 650 HE22 GLN 74 HE22 GLN 74 1.883 -9.060 -30.744 651 H GLN 75 H GLN 75 3.581 -2.690 -29.770 652 HA GLN 75 HA GLN 75 0.733 -2.436 -29.013 653 HB2 GLN 75 HB2 GLN 75 1.002 0.101 -29.025 654 HB3 GLN 75 HB3 GLN 75 1.721 -0.745 -27.668 655 HG2 GLN 75 HG2 GLN 75 3.362 0.824 -28.159 656 HG3 GLN 75 HG3 GLN 75 3.947 -0.576 -29.052 657 HE21 GLN 75 HE21 GLN 75 5.131 0.670 -30.500 658 HE22 GLN 75 HE22 GLN 75 4.399 1.684 -31.690 Start of MODEL 13 1 H1 SER 1 H1 SER 1 8.049 7.146 -18.429 2 H2 SER 1 H2 SER 1 7.512 5.605 -18.866 3 H3 SER 1 H3 SER 1 6.528 6.603 -17.923 4 HA SER 1 HA SER 1 6.273 8.158 -19.708 5 HB2 SER 1 HB2 SER 1 7.971 6.207 -21.335 6 HB3 SER 1 HB3 SER 1 7.233 7.693 -21.943 7 HG SER 1 HG SER 1 9.406 8.041 -21.419 8 H HIS 2 H HIS 2 4.363 7.928 -20.963 9 HA HIS 2 HA HIS 2 3.102 5.233 -20.901 10 HB2 HIS 2 HB2 HIS 2 2.128 6.919 -19.319 11 HB3 HIS 2 HB3 HIS 2 1.744 7.959 -20.686 12 HD1 HIS 2 HD1 HIS 2 0.860 4.541 -19.303 13 HD2 HIS 2 HD2 HIS 2 -0.728 7.428 -21.828 14 HE1 HIS 2 HE1 HIS 2 -1.462 3.764 -19.821 15 HE2 HIS 2 HE2 HIS 2 -2.444 5.577 -21.262 16 H MET 3 H MET 3 3.270 8.274 -22.780 17 HA MET 3 HA MET 3 3.030 6.914 -25.322 18 HB2 MET 3 HB2 MET 3 0.983 8.213 -26.060 19 HB3 MET 3 HB3 MET 3 0.669 6.990 -24.838 20 HG2 MET 3 HG2 MET 3 0.473 8.672 -23.110 21 HG3 MET 3 HG3 MET 3 0.992 9.940 -24.222 22 HE1 MET 3 HE1 MET 3 -3.030 7.700 -24.834 23 HE2 MET 3 HE2 MET 3 -1.852 7.203 -23.620 24 HE3 MET 3 HE3 MET 3 -1.479 7.031 -25.337 25 H SER 4 H SER 4 4.928 8.771 -23.959 26 HA SER 4 HA SER 4 4.945 11.222 -25.524 27 HB2 SER 4 HB2 SER 4 7.057 9.963 -23.724 28 HB3 SER 4 HB3 SER 4 7.265 11.515 -24.541 29 HG SER 4 HG SER 4 6.441 11.550 -22.305 30 H ASN 5 H ASN 5 4.787 10.410 -27.647 31 HA ASN 5 HA ASN 5 6.517 8.376 -28.703 32 HB2 ASN 5 HB2 ASN 5 4.546 10.216 -30.123 33 HB3 ASN 5 HB3 ASN 5 5.287 8.782 -30.833 34 HD21 ASN 5 HD21 ASN 5 2.449 9.379 -30.400 35 HD22 ASN 5 HD22 ASN 5 1.840 8.090 -29.434 36 H LYS 6 H LYS 6 6.544 11.898 -28.790 37 HA LYS 6 HA LYS 6 8.599 12.086 -30.843 38 HB2 LYS 6 HB2 LYS 6 7.298 14.172 -29.061 39 HB3 LYS 6 HB3 LYS 6 8.532 14.564 -30.256 40 HG2 LYS 6 HG2 LYS 6 7.067 13.730 -32.056 41 HG3 LYS 6 HG3 LYS 6 5.828 13.309 -30.866 42 HD2 LYS 6 HD2 LYS 6 5.473 15.638 -30.305 43 HD3 LYS 6 HD3 LYS 6 6.878 16.144 -31.247 44 HE2 LYS 6 HE2 LYS 6 4.786 16.651 -32.431 45 HE3 LYS 6 HE3 LYS 6 5.738 15.471 -33.325 46 HZ1 LYS 6 HZ1 LYS 6 3.402 14.891 -33.281 47 HZ2 LYS 6 HZ2 LYS 6 3.410 14.850 -31.590 48 HZ3 LYS 6 HZ3 LYS 6 4.316 13.727 -32.470 49 H GLY 7 H GLY 7 8.780 11.186 -27.647 50 HA2 GLY 7 HA2 GLY 7 10.635 10.589 -26.422 51 HA3 GLY 7 HA3 GLY 7 11.642 11.196 -27.723 52 H LYS 8 H LYS 8 9.293 13.023 -25.747 53 HA LYS 8 HA LYS 8 11.524 14.516 -24.494 54 HB2 LYS 8 HB2 LYS 8 8.634 15.290 -24.993 55 HB3 LYS 8 HB3 LYS 8 9.599 16.121 -23.774 56 HG2 LYS 8 HG2 LYS 8 11.277 16.672 -25.570 57 HG3 LYS 8 HG3 LYS 8 10.158 15.993 -26.760 58 HD2 LYS 8 HD2 LYS 8 8.498 17.693 -26.258 59 HD3 LYS 8 HD3 LYS 8 9.420 18.263 -24.864 60 HE2 LYS 8 HE2 LYS 8 9.668 19.815 -26.726 61 HE3 LYS 8 HE3 LYS 8 11.213 19.045 -26.381 62 HZ1 LYS 8 HZ1 LYS 8 10.782 19.180 -28.750 63 HZ2 LYS 8 HZ2 LYS 8 9.359 18.288 -28.572 64 HZ3 LYS 8 HZ3 LYS 8 10.851 17.567 -28.252 65 H LYS 9 H LYS 9 12.021 14.094 -22.486 66 HA LYS 9 HA LYS 9 10.842 12.077 -20.921 67 HB2 LYS 9 HB2 LYS 9 12.494 12.722 -19.197 68 HB3 LYS 9 HB3 LYS 9 13.228 12.632 -20.794 69 HG2 LYS 9 HG2 LYS 9 12.941 15.186 -20.914 70 HG3 LYS 9 HG3 LYS 9 12.541 15.123 -19.198 71 HD2 LYS 9 HD2 LYS 9 14.882 15.704 -19.418 72 HD3 LYS 9 HD3 LYS 9 14.786 14.064 -18.769 73 HE2 LYS 9 HE2 LYS 9 15.275 13.134 -20.995 74 HE3 LYS 9 HE3 LYS 9 15.280 14.751 -21.698 75 HZ1 LYS 9 HZ1 LYS 9 17.502 13.926 -21.296 76 HZ2 LYS 9 HZ2 LYS 9 17.175 13.766 -19.646 77 HZ3 LYS 9 HZ3 LYS 9 17.189 15.297 -20.360 78 H ARG 10 H ARG 10 10.520 15.600 -20.785 79 HA ARG 10 HA ARG 10 9.295 17.086 -19.621 80 HB2 ARG 10 HB2 ARG 10 7.426 14.714 -19.234 81 HB3 ARG 10 HB3 ARG 10 7.003 16.378 -18.832 82 HG2 ARG 10 HG2 ARG 10 7.278 17.012 -21.214 83 HG3 ARG 10 HG3 ARG 10 7.674 15.337 -21.613 84 HD2 ARG 10 HD2 ARG 10 5.442 14.618 -20.911 85 HD3 ARG 10 HD3 ARG 10 5.048 16.262 -20.394 86 HE ARG 10 HE ARG 10 5.768 16.369 -23.094 87 HH11 ARG 10 HH11 ARG 10 3.182 15.000 -21.212 88 HH12 ARG 10 HH12 ARG 10 2.056 15.123 -22.516 89 HH21 ARG 10 HH21 ARG 10 4.304 16.492 -24.713 90 HH22 ARG 10 HH22 ARG 10 2.679 15.972 -24.459 91 H ARG 11 H ARG 11 8.188 17.557 -17.402 92 HA ARG 11 HA ARG 11 9.924 16.793 -15.224 93 HB2 ARG 11 HB2 ARG 11 8.912 19.059 -15.420 94 HB3 ARG 11 HB3 ARG 11 7.304 18.365 -15.252 95 HG2 ARG 11 HG2 ARG 11 7.843 17.660 -12.950 96 HG3 ARG 11 HG3 ARG 11 9.471 18.329 -13.120 97 HD2 ARG 11 HD2 ARG 11 6.860 19.898 -13.222 98 HD3 ARG 11 HD3 ARG 11 8.015 19.877 -11.887 99 HE ARG 11 HE ARG 11 9.596 21.030 -13.302 100 HH11 ARG 11 HH11 ARG 11 6.365 21.043 -14.550 101 HH12 ARG 11 HH12 ARG 11 6.655 22.437 -15.524 102 HH21 ARG 11 HH21 ARG 11 9.922 22.772 -14.585 103 HH22 ARG 11 HH22 ARG 11 8.623 23.402 -15.531 104 H ASN 12 H ASN 12 9.595 15.134 -13.777 105 HA ASN 12 HA ASN 12 7.564 13.176 -14.237 106 HB2 ASN 12 HB2 ASN 12 8.500 12.080 -12.119 107 HB3 ASN 12 HB3 ASN 12 9.642 12.333 -13.432 108 HD21 ASN 12 HD21 ASN 12 11.326 13.781 -13.157 109 HD22 ASN 12 HD22 ASN 12 11.723 14.482 -11.630 110 H ARG 13 H ARG 13 5.802 12.553 -12.960 111 HA ARG 13 HA ARG 13 4.374 14.852 -11.834 112 HB2 ARG 13 HB2 ARG 13 3.611 13.034 -13.693 113 HB3 ARG 13 HB3 ARG 13 3.052 12.162 -12.279 114 HG2 ARG 13 HG2 ARG 13 2.200 14.982 -13.031 115 HG3 ARG 13 HG3 ARG 13 1.297 13.521 -13.430 116 HD2 ARG 13 HD2 ARG 13 0.937 13.074 -11.035 117 HD3 ARG 13 HD3 ARG 13 1.908 14.495 -10.615 118 HE ARG 13 HE ARG 13 -0.368 15.005 -12.344 119 HH11 ARG 13 HH11 ARG 13 0.733 14.961 -9.053 120 HH12 ARG 13 HH12 ARG 13 -0.546 15.986 -8.520 121 HH21 ARG 13 HH21 ARG 13 -1.948 16.307 -11.638 122 HH22 ARG 13 HH22 ARG 13 -2.041 16.758 -9.975 123 H THR 14 H THR 14 3.911 15.069 -9.682 124 HA THR 14 HA THR 14 4.870 13.293 -7.662 125 HB THR 14 HB THR 14 2.817 15.543 -7.365 126 HG1 THR 14 HG1 THR 14 5.666 15.596 -7.107 127 HG21 THR 14 HG21 THR 14 3.585 15.638 -5.004 128 HG22 THR 14 HG22 THR 14 4.649 14.260 -5.284 129 HG23 THR 14 HG23 THR 14 2.897 14.056 -5.373 130 H THR 15 H THR 15 3.955 11.401 -7.028 131 HA THR 15 HA THR 15 1.186 10.771 -7.779 132 HB THR 15 HB THR 15 3.141 8.772 -6.555 133 HG1 THR 15 HG1 THR 15 4.220 8.644 -8.375 134 HG21 THR 15 HG21 THR 15 1.843 7.137 -7.868 135 HG22 THR 15 HG22 THR 15 0.834 8.430 -8.520 136 HG23 THR 15 HG23 THR 15 0.777 8.046 -6.795 137 H PHE 16 H PHE 16 3.209 10.079 -4.833 138 HA PHE 16 HA PHE 16 0.722 10.114 -3.199 139 HB2 PHE 16 HB2 PHE 16 3.330 8.638 -2.612 140 HB3 PHE 16 HB3 PHE 16 1.835 8.524 -1.689 141 HD1 PHE 16 HD1 PHE 16 -0.287 7.695 -3.014 142 HD2 PHE 16 HD2 PHE 16 3.739 7.026 -4.295 143 HE1 PHE 16 HE1 PHE 16 -1.034 5.822 -4.420 144 HE2 PHE 16 HE2 PHE 16 2.975 5.153 -5.695 145 HZ PHE 16 HZ PHE 16 0.591 4.550 -5.757 146 H THR 17 H THR 17 0.913 10.786 -0.952 147 HA THR 17 HA THR 17 2.775 13.033 -0.484 148 HB THR 17 HB THR 17 1.285 13.813 1.247 149 HG1 THR 17 HG1 THR 17 -0.641 12.509 1.779 150 HG21 THR 17 HG21 THR 17 0.477 14.295 -1.038 151 HG22 THR 17 HG22 THR 17 -0.876 14.079 0.074 152 HG23 THR 17 HG23 THR 17 -0.438 12.783 -1.042 153 H SER 18 H SER 18 3.615 13.275 1.805 154 HA SER 18 HA SER 18 5.142 11.037 2.633 155 HB2 SER 18 HB2 SER 18 4.496 13.564 4.216 156 HB3 SER 18 HB3 SER 18 5.796 12.426 4.587 157 HG SER 18 HG SER 18 6.951 13.567 3.273 158 H TYR 19 H TYR 19 2.073 12.356 3.856 159 HA TYR 19 HA TYR 19 1.582 10.723 6.082 160 HB2 TYR 19 HB2 TYR 19 0.136 12.612 5.617 161 HB3 TYR 19 HB3 TYR 19 -0.307 11.966 4.042 162 HD1 TYR 19 HD2 TYR 19 -0.770 11.511 7.714 163 HD2 TYR 19 HD1 TYR 19 -2.117 10.342 3.825 164 HE1 TYR 19 HE2 TYR 19 -2.688 10.347 8.719 165 HE2 TYR 19 HE1 TYR 19 -4.018 9.168 4.831 166 HH TYR 19 HH TYR 19 -4.689 8.203 6.927 167 H GLN 20 H GLN 20 0.743 10.187 2.661 168 HA GLN 20 HA GLN 20 -0.575 7.699 2.992 169 HB2 GLN 20 HB2 GLN 20 0.716 8.918 0.512 170 HB3 GLN 20 HB3 GLN 20 -0.328 7.495 0.498 171 HG2 GLN 20 HG2 GLN 20 -2.201 8.816 1.354 172 HG3 GLN 20 HG3 GLN 20 -1.174 10.243 1.474 173 HE21 GLN 20 HE21 GLN 20 -3.639 9.936 -0.010 174 HE22 GLN 20 HE22 GLN 20 -3.262 10.251 -1.664 175 H LEU 21 H LEU 21 2.791 8.479 2.076 176 HA LEU 21 HA LEU 21 3.754 5.846 1.699 177 HB2 LEU 21 HB2 LEU 21 5.282 8.325 2.584 178 HB3 LEU 21 HB3 LEU 21 6.032 6.834 2.023 179 HG LEU 21 HG LEU 21 4.319 8.731 0.366 180 HD11 LEU 21 HD11 LEU 21 7.279 8.100 0.173 181 HD12 LEU 21 HD12 LEU 21 6.561 9.594 0.787 182 HD13 LEU 21 HD13 LEU 21 6.364 9.159 -0.908 183 HD21 LEU 21 HD21 LEU 21 5.604 6.116 -0.504 184 HD22 LEU 21 HD22 LEU 21 4.812 7.282 -1.569 185 HD23 LEU 21 HD23 LEU 21 3.875 6.436 -0.344 186 H GLU 22 H GLU 22 3.341 7.756 4.635 187 HA GLU 22 HA GLU 22 4.868 6.272 6.479 188 HB2 GLU 22 HB2 GLU 22 3.142 8.522 6.569 189 HB3 GLU 22 HB3 GLU 22 2.359 7.366 7.628 190 HG2 GLU 22 HG2 GLU 22 5.178 8.448 7.895 191 HG3 GLU 22 HG3 GLU 22 3.784 8.872 8.884 192 H GLU 23 H GLU 23 1.500 5.883 5.435 193 HA GLU 23 HA GLU 23 0.911 3.601 7.120 194 HB2 GLU 23 HB2 GLU 23 -0.634 4.709 4.736 195 HB3 GLU 23 HB3 GLU 23 -1.251 3.565 5.927 196 HG2 GLU 23 HG2 GLU 23 -0.470 6.460 6.452 197 HG3 GLU 23 HG3 GLU 23 -2.111 5.837 6.303 198 H LEU 24 H LEU 24 1.514 4.106 3.642 199 HA LEU 24 HA LEU 24 1.096 1.559 2.601 200 HB2 LEU 24 HB2 LEU 24 2.947 3.795 1.712 201 HB3 LEU 24 HB3 LEU 24 2.770 2.324 0.771 202 HG LEU 24 HG LEU 24 0.429 4.171 1.414 203 HD11 LEU 24 HD11 LEU 24 0.641 5.066 -0.861 204 HD12 LEU 24 HD12 LEU 24 2.113 4.122 -1.112 205 HD13 LEU 24 HD13 LEU 24 2.082 5.409 0.097 206 HD21 LEU 24 HD21 LEU 24 -0.714 2.976 -0.409 207 HD22 LEU 24 HD22 LEU 24 -0.223 1.862 0.863 208 HD23 LEU 24 HD23 LEU 24 0.700 1.940 -0.639 209 H GLU 25 H GLU 25 4.182 2.946 3.816 210 HA GLU 25 HA GLU 25 5.857 0.742 3.305 211 HB2 GLU 25 HB2 GLU 25 6.082 3.054 5.256 212 HB3 GLU 25 HB3 GLU 25 7.315 1.807 5.177 213 HG2 GLU 25 HG2 GLU 25 6.481 3.480 2.802 214 HG3 GLU 25 HG3 GLU 25 7.817 3.895 3.872 215 H LYS 26 H LYS 26 4.096 1.601 6.317 216 HA LYS 26 HA LYS 26 5.016 -0.507 7.947 217 HB2 LYS 26 HB2 LYS 26 2.474 1.150 8.012 218 HB3 LYS 26 HB3 LYS 26 2.766 -0.111 9.212 219 HG2 LYS 26 HG2 LYS 26 4.852 1.022 9.896 220 HG3 LYS 26 HG3 LYS 26 4.557 2.292 8.702 221 HD2 LYS 26 HD2 LYS 26 2.601 3.065 9.888 222 HD3 LYS 26 HD3 LYS 26 2.608 1.659 10.960 223 HE2 LYS 26 HE2 LYS 26 3.468 3.736 12.049 224 HE3 LYS 26 HE3 LYS 26 4.654 2.431 12.032 225 HZ1 LYS 26 HZ1 LYS 26 5.650 4.537 11.436 226 HZ2 LYS 26 HZ2 LYS 26 4.571 4.722 10.153 227 HZ3 LYS 26 HZ3 LYS 26 5.703 3.473 10.125 228 H VAL 27 H VAL 27 2.146 -0.374 5.840 229 HA VAL 27 HA VAL 27 1.211 -3.016 6.317 230 HB VAL 27 HB VAL 27 0.777 -1.208 3.893 231 HG11 VAL 27 HG11 VAL 27 0.302 -3.544 3.251 232 HG12 VAL 27 HG12 VAL 27 -1.203 -2.629 3.362 233 HG13 VAL 27 HG13 VAL 27 -0.747 -3.740 4.657 234 HG21 VAL 27 HG21 VAL 27 -0.970 -1.689 6.348 235 HG22 VAL 27 HG22 VAL 27 -1.397 -0.669 4.971 236 HG23 VAL 27 HG23 VAL 27 -0.039 -0.227 6.008 237 H PHE 28 H PHE 28 3.561 -1.705 4.003 238 HA PHE 28 HA PHE 28 3.875 -3.956 2.319 239 HB2 PHE 28 HB2 PHE 28 4.637 -1.726 1.646 240 HB3 PHE 28 HB3 PHE 28 5.830 -1.702 2.940 241 HD1 PHE 28 HD1 PHE 28 4.883 -3.550 -0.174 242 HD2 PHE 28 HD2 PHE 28 8.038 -2.546 2.531 243 HE1 PHE 28 HE1 PHE 28 6.511 -4.601 -1.671 244 HE2 PHE 28 HE2 PHE 28 9.663 -3.600 1.015 245 HZ PHE 28 HZ PHE 28 8.903 -4.635 -1.089 246 H GLN 29 H GLN 29 5.750 -2.940 5.201 247 HA GLN 29 HA GLN 29 7.760 -4.951 4.997 248 HB2 GLN 29 HB2 GLN 29 6.934 -3.432 7.508 249 HB3 GLN 29 HB3 GLN 29 8.466 -4.263 7.248 250 HG2 GLN 29 HG2 GLN 29 7.479 -1.764 5.841 251 HG3 GLN 29 HG3 GLN 29 8.776 -1.863 7.022 252 HE21 GLN 29 HE21 GLN 29 8.750 -0.838 4.250 253 HE22 GLN 29 HE22 GLN 29 9.977 -1.715 3.413 254 H LYS 30 H LYS 30 4.570 -4.958 6.400 255 HA LYS 30 HA LYS 30 4.932 -7.507 7.801 256 HB2 LYS 30 HB2 LYS 30 2.476 -5.727 7.485 257 HB3 LYS 30 HB3 LYS 30 2.537 -7.193 8.468 258 HG2 LYS 30 HG2 LYS 30 4.320 -6.162 9.864 259 HG3 LYS 30 HG3 LYS 30 4.206 -4.685 8.903 260 HD2 LYS 30 HD2 LYS 30 1.988 -5.876 10.620 261 HD3 LYS 30 HD3 LYS 30 3.003 -4.500 11.057 262 HE2 LYS 30 HE2 LYS 30 2.076 -3.263 9.075 263 HE3 LYS 30 HE3 LYS 30 0.987 -4.624 8.787 264 HZ1 LYS 30 HZ1 LYS 30 1.090 -3.004 11.267 265 HZ2 LYS 30 HZ2 LYS 30 0.004 -4.258 10.938 266 HZ3 LYS 30 HZ3 LYS 30 -0.055 -2.834 10.034 267 H THR 31 H THR 31 3.217 -6.272 4.932 268 HA THR 31 HA THR 31 3.249 -8.929 3.741 269 HB THR 31 HB THR 31 1.028 -9.001 4.691 270 HG1 THR 31 HG1 THR 31 -0.077 -9.431 2.805 271 HG21 THR 31 HG21 THR 31 0.595 -6.579 5.016 272 HG22 THR 31 HG22 THR 31 -0.742 -7.368 4.173 273 HG23 THR 31 HG23 THR 31 0.409 -6.381 3.269 274 H HIS 32 H HIS 32 3.890 -8.826 1.703 275 HA HIS 32 HA HIS 32 4.316 -6.244 0.397 276 HB2 HIS 32 HB2 HIS 32 5.100 -9.016 -0.598 277 HB3 HIS 32 HB3 HIS 32 5.777 -7.470 -1.107 278 HD1 HIS 32 HD1 HIS 32 6.332 -10.207 1.215 279 HD2 HIS 32 HD2 HIS 32 7.298 -6.167 1.091 280 HE1 HIS 32 HE1 HIS 32 8.166 -9.901 2.898 281 HE2 HIS 32 HE2 HIS 32 8.598 -7.430 2.928 282 H TYR 33 H TYR 33 1.757 -8.224 0.554 283 HA TYR 33 HA TYR 33 0.504 -7.256 -1.863 284 HB2 TYR 33 HB2 TYR 33 -0.294 -9.719 -2.388 285 HB3 TYR 33 HB3 TYR 33 1.276 -9.180 -2.962 286 HD1 TYR 33 HD1 TYR 33 -0.437 -11.410 -0.529 287 HD2 TYR 33 HD2 TYR 33 3.349 -10.137 -2.052 288 HE1 TYR 33 HE1 TYR 33 0.653 -13.327 0.562 289 HE2 TYR 33 HE2 TYR 33 4.435 -12.048 -0.967 290 HH TYR 33 HH TYR 33 4.022 -13.576 0.931 291 HA PRO 34 HA PRO 34 -2.342 -7.296 1.785 292 HB2 PRO 34 HB2 PRO 34 -3.874 -5.141 1.047 293 HB3 PRO 34 HB3 PRO 34 -2.290 -4.980 1.820 294 HG2 PRO 34 HG2 PRO 34 -2.993 -4.796 -1.111 295 HG3 PRO 34 HG3 PRO 34 -1.940 -3.735 -0.151 296 HD2 PRO 34 HD2 PRO 34 -0.938 -5.699 -1.754 297 HD3 PRO 34 HD3 PRO 34 -0.139 -5.224 -0.240 298 H ASP 35 H ASP 35 -4.147 -8.502 1.998 299 HA ASP 35 HA ASP 35 -5.602 -9.702 -0.131 300 HB2 ASP 35 HB2 ASP 35 -6.324 -9.427 2.823 301 HB3 ASP 35 HB3 ASP 35 -7.093 -10.542 1.689 302 H VAL 36 H VAL 36 -8.229 -9.587 0.053 303 HA VAL 36 HA VAL 36 -8.939 -7.174 -1.168 304 HB VAL 36 HB VAL 36 -10.154 -9.313 -1.525 305 HG11 VAL 36 HG11 VAL 36 -11.516 -8.815 1.153 306 HG12 VAL 36 HG12 VAL 36 -10.396 -10.129 0.779 307 HG13 VAL 36 HG13 VAL 36 -11.967 -10.060 -0.022 308 HG21 VAL 36 HG21 VAL 36 -11.971 -6.981 -0.791 309 HG22 VAL 36 HG22 VAL 36 -12.427 -8.348 -1.810 310 HG23 VAL 36 HG23 VAL 36 -11.167 -7.234 -2.344 311 H TYR 37 H TYR 37 -9.511 -8.170 2.215 312 HA TYR 37 HA TYR 37 -10.863 -5.693 2.907 313 HB2 TYR 37 HB2 TYR 37 -11.448 -7.923 3.954 314 HB3 TYR 37 HB3 TYR 37 -9.906 -7.882 4.803 315 HD1 TYR 37 HD2 TYR 37 -13.039 -5.896 4.303 316 HD2 TYR 37 HD1 TYR 37 -9.810 -6.811 6.951 317 HE1 TYR 37 HE2 TYR 37 -14.099 -4.544 6.065 318 HE2 TYR 37 HE1 TYR 37 -10.871 -5.457 8.712 319 HH TYR 37 HH TYR 37 -12.467 -3.570 8.867 320 H ALA 38 H ALA 38 -7.602 -7.025 3.232 321 HA ALA 38 HA ALA 38 -6.463 -5.006 4.883 322 HB1 ALA 38 HB1 ALA 38 -5.102 -6.716 2.771 323 HB2 ALA 38 HB2 ALA 38 -5.339 -7.157 4.463 324 HB3 ALA 38 HB3 ALA 38 -4.284 -5.805 4.045 325 H ARG 39 H ARG 39 -7.134 -5.125 1.415 326 HA ARG 39 HA ARG 39 -5.830 -2.674 0.667 327 HB2 ARG 39 HB2 ARG 39 -8.092 -4.218 -0.663 328 HB3 ARG 39 HB3 ARG 39 -7.329 -2.794 -1.372 329 HG2 ARG 39 HG2 ARG 39 -5.176 -4.006 -1.484 330 HG3 ARG 39 HG3 ARG 39 -5.937 -5.429 -0.764 331 HD2 ARG 39 HD2 ARG 39 -7.522 -5.494 -2.711 332 HD3 ARG 39 HD3 ARG 39 -6.616 -4.165 -3.444 333 HE ARG 39 HE ARG 39 -4.838 -6.274 -2.861 334 HH11 ARG 39 HH11 ARG 39 -7.465 -5.601 -5.011 335 HH12 ARG 39 HH12 ARG 39 -6.875 -6.665 -6.234 336 HH21 ARG 39 HH21 ARG 39 -4.107 -7.636 -4.461 337 HH22 ARG 39 HH22 ARG 39 -5.014 -7.812 -5.919 338 H GLU 40 H GLU 40 -9.112 -3.564 1.785 339 HA GLU 40 HA GLU 40 -10.355 -1.038 1.576 340 HB2 GLU 40 HB2 GLU 40 -10.846 -3.264 3.599 341 HB3 GLU 40 HB3 GLU 40 -11.876 -1.840 3.439 342 HG2 GLU 40 HG2 GLU 40 -11.381 -3.917 1.280 343 HG3 GLU 40 HG3 GLU 40 -12.810 -3.820 2.308 344 H GLN 41 H GLN 41 -8.531 -2.470 4.305 345 HA GLN 41 HA GLN 41 -8.694 -0.360 6.142 346 HB2 GLN 41 HB2 GLN 41 -6.378 -2.312 5.741 347 HB3 GLN 41 HB3 GLN 41 -6.647 -1.333 7.182 348 HG2 GLN 41 HG2 GLN 41 -8.422 -3.577 6.167 349 HG3 GLN 41 HG3 GLN 41 -7.337 -3.638 7.552 350 HE21 GLN 41 HE21 GLN 41 -10.385 -2.457 6.360 351 HE22 GLN 41 HE22 GLN 41 -11.024 -1.963 7.885 352 H LEU 42 H LEU 42 -6.047 -1.083 3.846 353 HA LEU 42 HA LEU 42 -4.470 1.186 4.416 354 HB2 LEU 42 HB2 LEU 42 -3.590 -0.885 3.434 355 HB3 LEU 42 HB3 LEU 42 -4.501 -0.596 1.963 356 HG LEU 42 HG LEU 42 -3.105 1.341 1.409 357 HD11 LEU 42 HD11 LEU 42 -1.621 0.847 4.010 358 HD12 LEU 42 HD12 LEU 42 -2.655 2.228 3.639 359 HD13 LEU 42 HD13 LEU 42 -1.153 1.994 2.752 360 HD21 LEU 42 HD21 LEU 42 -1.412 -1.066 2.158 361 HD22 LEU 42 HD22 LEU 42 -0.987 0.181 0.984 362 HD23 LEU 42 HD23 LEU 42 -2.359 -0.881 0.678 363 H ALA 43 H ALA 43 -6.867 0.654 1.807 364 HA ALA 43 HA ALA 43 -6.489 3.130 0.448 365 HB1 ALA 43 HB1 ALA 43 -7.608 1.224 -0.638 366 HB2 ALA 43 HB2 ALA 43 -8.617 2.672 -0.693 367 HB3 ALA 43 HB3 ALA 43 -8.974 1.384 0.465 368 H MET 44 H MET 44 -8.472 2.263 3.266 369 HA MET 44 HA MET 44 -9.706 4.918 3.415 370 HB2 MET 44 HB2 MET 44 -9.807 2.563 5.354 371 HB3 MET 44 HB3 MET 44 -10.684 4.077 5.581 372 HG2 MET 44 HG2 MET 44 -11.066 2.120 3.301 373 HG3 MET 44 HG3 MET 44 -12.157 2.364 4.669 374 HE1 MET 44 HE1 MET 44 -14.117 3.847 1.557 375 HE2 MET 44 HE2 MET 44 -14.136 2.626 2.830 376 HE3 MET 44 HE3 MET 44 -12.985 2.495 1.499 377 H ARG 45 H ARG 45 -6.742 3.510 4.439 378 HA ARG 45 HA ARG 45 -6.207 5.470 6.560 379 HB2 ARG 45 HB2 ARG 45 -4.616 3.118 5.453 380 HB3 ARG 45 HB3 ARG 45 -3.906 4.255 6.594 381 HG2 ARG 45 HG2 ARG 45 -6.459 2.749 7.243 382 HG3 ARG 45 HG3 ARG 45 -4.868 2.045 7.523 383 HD2 ARG 45 HD2 ARG 45 -5.764 3.057 9.584 384 HD3 ARG 45 HD3 ARG 45 -4.296 3.881 9.059 385 HE ARG 45 HE ARG 45 -7.013 4.965 8.575 386 HH11 ARG 45 HH11 ARG 45 -3.705 5.531 9.461 387 HH12 ARG 45 HH12 ARG 45 -3.999 7.195 9.825 388 HH21 ARG 45 HH21 ARG 45 -7.317 7.108 8.986 389 HH22 ARG 45 HH22 ARG 45 -6.001 8.071 9.554 390 H THR 46 H THR 46 -5.593 5.110 3.153 391 HA THR 46 HA THR 46 -3.688 7.405 3.162 392 HB THR 46 HB THR 46 -2.769 6.481 1.015 393 HG1 THR 46 HG1 THR 46 -3.832 3.959 1.474 394 HG21 THR 46 HG21 THR 46 -2.620 4.511 3.326 395 HG22 THR 46 HG22 THR 46 -1.641 5.972 3.169 396 HG23 THR 46 HG23 THR 46 -1.460 4.659 2.001 397 H ASP 47 H ASP 47 -6.710 6.248 1.993 398 HA ASP 47 HA ASP 47 -8.287 6.919 0.543 399 HB2 ASP 47 HB2 ASP 47 -6.961 9.651 0.597 400 HB3 ASP 47 HB3 ASP 47 -8.633 9.307 0.169 401 H LEU 48 H LEU 48 -6.818 5.398 -0.800 402 HA LEU 48 HA LEU 48 -6.085 6.719 -3.369 403 HB2 LEU 48 HB2 LEU 48 -4.815 4.222 -2.163 404 HB3 LEU 48 HB3 LEU 48 -4.394 4.943 -3.711 405 HG LEU 48 HG LEU 48 -3.949 6.258 -0.996 406 HD11 LEU 48 HD11 LEU 48 -1.550 5.808 -1.367 407 HD12 LEU 48 HD12 LEU 48 -1.941 4.905 -2.834 408 HD13 LEU 48 HD13 LEU 48 -2.488 4.318 -1.262 409 HD21 LEU 48 HD21 LEU 48 -3.048 7.148 -3.757 410 HD22 LEU 48 HD22 LEU 48 -2.624 7.923 -2.228 411 HD23 LEU 48 HD23 LEU 48 -4.298 7.913 -2.773 412 H THR 49 H THR 49 -6.555 5.538 -5.314 413 HA THR 49 HA THR 49 -8.665 3.605 -5.393 414 HB THR 49 HB THR 49 -6.556 4.281 -7.510 415 HG1 THR 49 HG1 THR 49 -9.227 5.260 -7.195 416 HG21 THR 49 HG21 THR 49 -8.162 3.366 -9.177 417 HG22 THR 49 HG22 THR 49 -9.218 2.833 -7.870 418 HG23 THR 49 HG23 THR 49 -7.614 2.120 -8.056 419 H GLU 50 H GLU 50 -8.548 1.297 -5.621 420 HA GLU 50 HA GLU 50 -6.526 -0.085 -4.277 421 HB2 GLU 50 HB2 GLU 50 -8.611 -1.141 -6.231 422 HB3 GLU 50 HB3 GLU 50 -7.548 -2.193 -5.309 423 HG2 GLU 50 HG2 GLU 50 -9.606 -2.174 -4.138 424 HG3 GLU 50 HG3 GLU 50 -8.513 -1.171 -3.194 425 H ALA 51 H ALA 51 -6.942 0.380 -7.782 426 HA ALA 51 HA ALA 51 -4.783 -1.202 -8.710 427 HB1 ALA 51 HB1 ALA 51 -6.557 -0.358 -10.196 428 HB2 ALA 51 HB2 ALA 51 -4.961 0.102 -10.796 429 HB3 ALA 51 HB3 ALA 51 -5.974 1.293 -9.973 430 H ARG 52 H ARG 52 -4.948 2.202 -7.750 431 HA ARG 52 HA ARG 52 -2.293 3.004 -8.389 432 HB2 ARG 52 HB2 ARG 52 -4.170 4.572 -8.131 433 HB3 ARG 52 HB3 ARG 52 -4.328 4.146 -6.431 434 HG2 ARG 52 HG2 ARG 52 -2.125 5.164 -5.966 435 HG3 ARG 52 HG3 ARG 52 -1.952 5.577 -7.679 436 HD2 ARG 52 HD2 ARG 52 -3.918 7.038 -7.551 437 HD3 ARG 52 HD3 ARG 52 -4.193 6.556 -5.871 438 HE ARG 52 HE ARG 52 -1.614 7.677 -6.131 439 HH11 ARG 52 HH11 ARG 52 -4.941 8.671 -6.175 440 HH12 ARG 52 HH12 ARG 52 -4.576 10.227 -5.520 441 HH21 ARG 52 HH21 ARG 52 -1.209 9.670 -5.296 442 HH22 ARG 52 HH22 ARG 52 -2.502 10.783 -5.048 443 H VAL 53 H VAL 53 -3.750 1.695 -5.422 444 HA VAL 53 HA VAL 53 -1.564 1.798 -3.646 445 HB VAL 53 HB VAL 53 -3.827 -0.253 -3.859 446 HG11 VAL 53 HG11 VAL 53 -1.888 0.140 -1.543 447 HG12 VAL 53 HG12 VAL 53 -1.983 -1.275 -2.594 448 HG13 VAL 53 HG13 VAL 53 -3.322 -0.892 -1.508 449 HG21 VAL 53 HG21 VAL 53 -4.875 1.017 -2.010 450 HG22 VAL 53 HG22 VAL 53 -4.609 2.045 -3.419 451 HG23 VAL 53 HG23 VAL 53 -3.530 2.164 -2.029 452 H GLN 54 H GLN 54 -2.591 -0.732 -5.930 453 HA GLN 54 HA GLN 54 -0.490 -2.569 -5.485 454 HB2 GLN 54 HB2 GLN 54 -2.282 -2.202 -7.924 455 HB3 GLN 54 HB3 GLN 54 -1.207 -3.582 -7.680 456 HG2 GLN 54 HG2 GLN 54 -2.450 -4.265 -5.697 457 HG3 GLN 54 HG3 GLN 54 -3.455 -2.818 -5.792 458 HE21 GLN 54 HE21 GLN 54 -2.803 -5.943 -7.221 459 HE22 GLN 54 HE22 GLN 54 -4.264 -6.050 -8.132 460 H VAL 55 H VAL 55 -0.703 0.188 -7.777 461 HA VAL 55 HA VAL 55 1.649 -0.199 -9.271 462 HB VAL 55 HB VAL 55 0.485 2.469 -8.326 463 HG11 VAL 55 HG11 VAL 55 2.507 1.965 -10.561 464 HG12 VAL 55 HG12 VAL 55 2.831 2.792 -9.036 465 HG13 VAL 55 HG13 VAL 55 1.737 3.517 -10.214 466 HG21 VAL 55 HG21 VAL 55 -1.111 1.161 -9.663 467 HG22 VAL 55 HG22 VAL 55 0.082 0.979 -10.947 468 HG23 VAL 55 HG23 VAL 55 -0.566 2.575 -10.564 469 H TRP 56 H TRP 56 1.233 1.476 -6.138 470 HA TRP 56 HA TRP 56 3.889 2.239 -5.676 471 HB2 TRP 56 HB2 TRP 56 1.943 3.025 -4.287 472 HB3 TRP 56 HB3 TRP 56 1.861 1.434 -3.533 473 HD1 TRP 56 HD1 TRP 56 4.078 4.581 -3.649 474 HE1 TRP 56 HE1 TRP 56 5.661 4.570 -1.627 475 HE3 TRP 56 HE3 TRP 56 3.038 -0.071 -1.808 476 HZ2 TRP 56 HZ2 TRP 56 6.385 2.854 0.458 477 HZ3 TRP 56 HZ3 TRP 56 4.224 -0.827 0.203 478 HH2 TRP 56 HH2 TRP 56 5.868 0.605 1.315 479 H PHE 57 H PHE 57 2.175 -0.727 -4.624 480 HA PHE 57 HA PHE 57 4.344 -1.977 -3.320 481 HB2 PHE 57 HB2 PHE 57 1.715 -3.016 -4.408 482 HB3 PHE 57 HB3 PHE 57 2.915 -4.157 -3.811 483 HD1 PHE 57 HD2 PHE 57 0.760 -1.288 -2.805 484 HD2 PHE 57 HD1 PHE 57 3.270 -4.470 -1.465 485 HE1 PHE 57 HE2 PHE 57 0.017 -0.907 -0.500 486 HE2 PHE 57 HE1 PHE 57 2.521 -4.085 0.843 487 HZ PHE 57 HZ PHE 57 0.896 -2.301 1.332 488 H GLN 58 H GLN 58 3.414 -2.077 -6.772 489 HA GLN 58 HA GLN 58 5.159 -4.202 -7.537 490 HB2 GLN 58 HB2 GLN 58 3.988 -1.909 -9.161 491 HB3 GLN 58 HB3 GLN 58 4.909 -3.234 -9.875 492 HG2 GLN 58 HG2 GLN 58 3.227 -4.844 -9.100 493 HG3 GLN 58 HG3 GLN 58 2.326 -3.548 -8.319 494 HE21 GLN 58 HE21 GLN 58 3.174 -5.002 -11.359 495 HE22 GLN 58 HE22 GLN 58 1.992 -4.184 -12.307 496 H ASN 59 H ASN 59 5.569 -0.651 -7.766 497 HA ASN 59 HA ASN 59 8.268 -0.630 -8.639 498 HB2 ASN 59 HB2 ASN 59 6.702 1.494 -7.108 499 HB3 ASN 59 HB3 ASN 59 8.264 1.771 -7.878 500 HD21 ASN 59 HD21 ASN 59 7.515 3.310 -9.312 501 HD22 ASN 59 HD22 ASN 59 6.425 2.955 -10.604 502 H ARG 60 H ARG 60 6.840 -0.759 -5.433 503 HA ARG 60 HA ARG 60 9.211 -0.145 -3.950 504 HB2 ARG 60 HB2 ARG 60 6.922 0.300 -3.090 505 HB3 ARG 60 HB3 ARG 60 6.608 -1.429 -3.026 506 HG2 ARG 60 HG2 ARG 60 7.112 -0.528 -0.810 507 HG3 ARG 60 HG3 ARG 60 8.316 -1.711 -1.309 508 HD2 ARG 60 HD2 ARG 60 9.859 0.133 -1.923 509 HD3 ARG 60 HD3 ARG 60 8.648 1.303 -1.386 510 HE ARG 60 HE ARG 60 9.094 0.768 0.810 511 HH11 ARG 60 HH11 ARG 60 10.907 -1.405 -1.205 512 HH12 ARG 60 HH12 ARG 60 11.904 -1.923 0.106 513 HH21 ARG 60 HH21 ARG 60 10.370 0.115 2.427 514 HH22 ARG 60 HH22 ARG 60 11.623 -1.047 2.142 515 H ARG 61 H ARG 61 7.535 -3.205 -4.764 516 HA ARG 61 HA ARG 61 9.346 -4.995 -3.468 517 HB2 ARG 61 HB2 ARG 61 7.368 -5.392 -5.750 518 HB3 ARG 61 HB3 ARG 61 8.335 -6.721 -5.114 519 HG2 ARG 61 HG2 ARG 61 7.251 -6.619 -2.984 520 HG3 ARG 61 HG3 ARG 61 6.508 -5.065 -3.349 521 HD2 ARG 61 HD2 ARG 61 4.845 -6.839 -3.451 522 HD3 ARG 61 HD3 ARG 61 5.080 -6.142 -5.054 523 HE ARG 61 HE ARG 61 6.655 -8.187 -5.324 524 HH11 ARG 61 HH11 ARG 61 3.642 -8.246 -3.608 525 HH12 ARG 61 HH12 ARG 61 3.332 -9.895 -4.025 526 HH21 ARG 61 HH21 ARG 61 6.254 -10.275 -5.806 527 HH22 ARG 61 HH22 ARG 61 4.800 -11.036 -5.257 528 H ALA 62 H ALA 62 9.292 -3.492 -6.655 529 HA ALA 62 HA ALA 62 11.320 -4.967 -7.951 530 HB1 ALA 62 HB1 ALA 62 9.735 -3.504 -9.148 531 HB2 ALA 62 HB2 ALA 62 11.406 -3.088 -9.539 532 HB3 ALA 62 HB3 ALA 62 10.485 -2.082 -8.416 533 H LYS 63 H LYS 63 11.497 -1.913 -6.080 534 HA LYS 63 HA LYS 63 14.387 -1.737 -6.303 535 HB2 LYS 63 HB2 LYS 63 14.201 0.356 -5.114 536 HB3 LYS 63 HB3 LYS 63 12.909 0.277 -6.290 537 HG2 LYS 63 HG2 LYS 63 11.731 1.149 -4.511 538 HG3 LYS 63 HG3 LYS 63 11.468 -0.567 -4.214 539 HD2 LYS 63 HD2 LYS 63 12.030 0.568 -2.118 540 HD3 LYS 63 HD3 LYS 63 13.319 -0.555 -2.549 541 HE2 LYS 63 HE2 LYS 63 14.568 1.430 -3.551 542 HE3 LYS 63 HE3 LYS 63 13.346 2.473 -2.821 543 HZ1 LYS 63 HZ1 LYS 63 13.968 1.518 -0.657 544 HZ2 LYS 63 HZ2 LYS 63 15.246 2.323 -1.413 545 HZ3 LYS 63 HZ3 LYS 63 15.197 0.633 -1.410 546 H TRP 64 H TRP 64 12.124 -3.104 -4.034 547 HA TRP 64 HA TRP 64 13.661 -3.238 -1.663 548 HB2 TRP 64 HB2 TRP 64 11.228 -3.704 -1.739 549 HB3 TRP 64 HB3 TRP 64 11.516 -5.150 -2.694 550 HD1 TRP 64 HD1 TRP 64 11.879 -3.813 0.907 551 HE1 TRP 64 HE1 TRP 64 12.025 -5.818 2.501 552 HE3 TRP 64 HE3 TRP 64 12.212 -7.580 -2.541 553 HZ2 TRP 64 HZ2 TRP 64 12.265 -8.628 2.342 554 HZ3 TRP 64 HZ3 TRP 64 12.403 -9.906 -1.742 555 HH2 TRP 64 HH2 TRP 64 12.430 -10.418 0.655 556 H ARG 65 H ARG 65 13.615 -5.235 -4.552 557 HA ARG 65 HA ARG 65 15.304 -7.345 -3.661 558 HB2 ARG 65 HB2 ARG 65 14.621 -6.305 -6.436 559 HB3 ARG 65 HB3 ARG 65 15.609 -7.738 -6.164 560 HG2 ARG 65 HG2 ARG 65 12.727 -7.385 -5.274 561 HG3 ARG 65 HG3 ARG 65 13.277 -8.305 -6.679 562 HD2 ARG 65 HD2 ARG 65 14.627 -9.751 -5.090 563 HD3 ARG 65 HD3 ARG 65 13.833 -8.914 -3.756 564 HE ARG 65 HE ARG 65 11.720 -9.820 -4.536 565 HH11 ARG 65 HH11 ARG 65 14.543 -11.339 -5.837 566 HH12 ARG 65 HH12 ARG 65 13.718 -12.819 -6.174 567 HH21 ARG 65 HH21 ARG 65 10.682 -11.709 -5.004 568 HH22 ARG 65 HH22 ARG 65 11.552 -13.018 -5.716 569 H LYS 66 H LYS 66 17.395 -7.280 -3.228 570 HA LYS 66 HA LYS 66 19.565 -6.783 -3.064 571 HB2 LYS 66 HB2 LYS 66 19.216 -5.657 -5.868 572 HB3 LYS 66 HB3 LYS 66 20.773 -5.887 -5.071 573 HG2 LYS 66 HG2 LYS 66 20.142 -8.362 -4.841 574 HG3 LYS 66 HG3 LYS 66 18.790 -8.017 -5.921 575 HD2 LYS 66 HD2 LYS 66 20.655 -8.943 -7.194 576 HD3 LYS 66 HD3 LYS 66 20.391 -7.260 -7.666 577 HE2 LYS 66 HE2 LYS 66 22.813 -7.810 -7.404 578 HE3 LYS 66 HE3 LYS 66 22.295 -6.543 -6.294 579 HZ1 LYS 66 HZ1 LYS 66 22.563 -9.409 -5.551 580 HZ2 LYS 66 HZ2 LYS 66 22.229 -8.122 -4.504 581 HZ3 LYS 66 HZ3 LYS 66 23.737 -8.229 -5.263 582 H ARG 67 H ARG 67 21.023 -4.373 -4.079 583 HA ARG 67 HA ARG 67 21.874 -2.575 -3.047 584 HB2 ARG 67 HB2 ARG 67 18.995 -2.013 -2.735 585 HB3 ARG 67 HB3 ARG 67 19.913 -1.360 -1.391 586 HG2 ARG 67 HG2 ARG 67 20.507 -0.767 -4.312 587 HG3 ARG 67 HG3 ARG 67 19.543 0.267 -3.250 588 HD2 ARG 67 HD2 ARG 67 21.483 0.595 -1.772 589 HD3 ARG 67 HD3 ARG 67 22.460 -0.490 -2.774 590 HE ARG 67 HE ARG 67 21.556 1.490 -4.472 591 HH11 ARG 67 HH11 ARG 67 23.526 1.453 -1.601 592 HH12 ARG 67 HH12 ARG 67 24.418 2.845 -2.097 593 HH21 ARG 67 HH21 ARG 67 22.750 3.230 -5.058 594 HH22 ARG 67 HH22 ARG 67 23.978 3.839 -4.011 595 H GLU 68 H GLU 68 19.505 -3.856 -0.698 596 HA GLU 68 HA GLU 68 19.614 -5.047 1.195 597 HB2 GLU 68 HB2 GLU 68 20.966 -7.058 1.138 598 HB3 GLU 68 HB3 GLU 68 20.352 -6.704 -0.474 599 HG2 GLU 68 HG2 GLU 68 22.614 -5.718 -1.027 600 HG3 GLU 68 HG3 GLU 68 23.191 -6.306 0.533 601 H ARG 69 H ARG 69 21.314 -6.100 2.940 602 HA ARG 69 HA ARG 69 22.738 -5.796 4.675 603 HB2 ARG 69 HB2 ARG 69 24.445 -5.360 2.933 604 HB3 ARG 69 HB3 ARG 69 24.004 -3.659 2.913 605 HG2 ARG 69 HG2 ARG 69 24.783 -3.510 5.314 606 HG3 ARG 69 HG3 ARG 69 25.375 -5.167 5.167 607 HD2 ARG 69 HD2 ARG 69 27.183 -3.523 4.823 608 HD3 ARG 69 HD3 ARG 69 26.905 -4.479 3.365 609 HE ARG 69 HE ARG 69 25.407 -2.398 2.792 610 HH11 ARG 69 HH11 ARG 69 28.563 -2.316 4.206 611 HH12 ARG 69 HH12 ARG 69 28.920 -0.770 3.531 612 HH21 ARG 69 HH21 ARG 69 25.881 -0.455 1.949 613 HH22 ARG 69 HH22 ARG 69 27.421 0.272 2.254 614 H PHE 70 H PHE 70 23.016 -4.538 6.570 615 HA PHE 70 HA PHE 70 22.729 -3.009 8.166 616 HB2 PHE 70 HB2 PHE 70 23.442 -1.253 6.565 617 HB3 PHE 70 HB3 PHE 70 21.779 -1.061 6.021 618 HD1 PHE 70 HD2 PHE 70 24.048 -0.629 8.952 619 HD2 PHE 70 HD1 PHE 70 20.245 0.350 7.250 620 HE1 PHE 70 HE2 PHE 70 23.677 1.039 10.721 621 HE2 PHE 70 HE1 PHE 70 19.888 2.011 9.022 622 HZ PHE 70 HZ PHE 70 21.600 2.361 10.756 623 H GLY 71 H GLY 71 19.907 -2.629 5.942 624 HA2 GLY 71 HA2 GLY 71 17.942 -2.434 8.002 625 HA3 GLY 71 HA3 GLY 71 17.640 -2.752 6.301 626 H GLN 72 H GLN 72 18.719 -4.313 9.301 627 HA GLN 72 HA GLN 72 18.298 -7.002 8.262 628 HB2 GLN 72 HB2 GLN 72 20.328 -6.492 9.573 629 HB3 GLN 72 HB3 GLN 72 19.339 -6.042 10.958 630 HG2 GLN 72 HG2 GLN 72 18.539 -8.367 11.166 631 HG3 GLN 72 HG3 GLN 72 19.471 -8.824 9.735 632 HE21 GLN 72 HE21 GLN 72 19.684 -7.875 13.099 633 HE22 GLN 72 HE22 GLN 72 21.306 -8.401 13.344 634 H MET 73 H MET 73 16.668 -8.334 8.815 635 HA MET 73 HA MET 73 14.950 -7.971 11.121 636 HB2 MET 73 HB2 MET 73 12.828 -7.932 9.711 637 HB3 MET 73 HB3 MET 73 13.778 -6.456 9.639 638 HG2 MET 73 HG2 MET 73 14.667 -7.104 7.456 639 HG3 MET 73 HG3 MET 73 13.793 -8.632 7.537 640 HE1 MET 73 HE1 MET 73 11.728 -4.504 7.106 641 HE2 MET 73 HE2 MET 73 13.478 -4.717 7.166 642 HE3 MET 73 HE3 MET 73 12.503 -5.005 8.608 643 H GLN 74 H GLN 74 14.100 -9.929 11.785 644 HA GLN 74 HA GLN 74 15.022 -12.351 10.477 645 HB2 GLN 74 HB2 GLN 74 14.913 -11.848 13.053 646 HB3 GLN 74 HB3 GLN 74 13.209 -12.244 12.928 647 HG2 GLN 74 HG2 GLN 74 15.477 -14.129 12.205 648 HG3 GLN 74 HG3 GLN 74 14.651 -14.110 13.764 649 HE21 GLN 74 HE21 GLN 74 12.501 -14.919 13.880 650 HE22 GLN 74 HE22 GLN 74 11.862 -15.934 12.640 651 H GLN 75 H GLN 75 13.859 -12.421 8.520 652 HA GLN 75 HA GLN 75 10.929 -12.493 8.510 653 HB2 GLN 75 HB2 GLN 75 12.908 -12.853 6.211 654 HB3 GLN 75 HB3 GLN 75 11.158 -12.725 6.043 655 HG2 GLN 75 HG2 GLN 75 11.289 -10.417 7.026 656 HG3 GLN 75 HG3 GLN 75 13.048 -10.557 7.030 657 HE21 GLN 75 HE21 GLN 75 13.328 -8.828 5.591 658 HE22 GLN 75 HE22 GLN 75 12.905 -8.921 3.925 Start of MODEL 14 1 H1 SER 1 H1 SER 1 12.694 4.154 13.392 2 H2 SER 1 H2 SER 1 13.957 4.436 14.479 3 H3 SER 1 H3 SER 1 14.199 4.677 12.821 4 HA SER 1 HA SER 1 12.661 6.481 12.779 5 HB2 SER 1 HB2 SER 1 12.343 5.960 15.765 6 HB3 SER 1 HB3 SER 1 11.652 7.335 14.895 7 HG SER 1 HG SER 1 10.233 5.483 15.219 8 H HIS 2 H HIS 2 13.987 8.165 12.410 9 HA HIS 2 HA HIS 2 15.880 9.129 14.424 10 HB2 HIS 2 HB2 HIS 2 17.079 7.300 13.139 11 HB3 HIS 2 HB3 HIS 2 16.878 8.242 11.672 12 HD1 HIS 2 HD1 HIS 2 18.312 10.470 11.509 13 HD2 HIS 2 HD2 HIS 2 19.191 8.055 14.776 14 HE1 HIS 2 HE1 HIS 2 20.535 11.268 12.356 15 HE2 HIS 2 HE2 HIS 2 20.954 9.907 14.427 16 H MET 3 H MET 3 16.092 11.319 14.295 17 HA MET 3 HA MET 3 14.584 12.893 12.465 18 HB2 MET 3 HB2 MET 3 16.745 13.657 14.473 19 HB3 MET 3 HB3 MET 3 15.862 14.848 13.522 20 HG2 MET 3 HG2 MET 3 14.935 14.668 15.760 21 HG3 MET 3 HG3 MET 3 13.754 14.125 14.567 22 HE1 MET 3 HE1 MET 3 12.944 11.825 17.653 23 HE2 MET 3 HE2 MET 3 12.304 13.010 16.515 24 HE3 MET 3 HE3 MET 3 13.481 13.502 17.735 25 H SER 4 H SER 4 15.075 13.523 10.467 26 HA SER 4 HA SER 4 16.105 14.284 8.613 27 HB2 SER 4 HB2 SER 4 18.536 14.740 10.392 28 HB3 SER 4 HB3 SER 4 18.357 15.355 8.749 29 HG SER 4 HG SER 4 17.713 16.656 10.793 30 H ASN 5 H ASN 5 16.194 12.578 7.213 31 HA ASN 5 HA ASN 5 18.826 11.214 6.980 32 HB2 ASN 5 HB2 ASN 5 17.634 9.448 5.606 33 HB3 ASN 5 HB3 ASN 5 17.210 9.466 7.307 34 HD21 ASN 5 HD21 ASN 5 15.133 10.136 7.921 35 HD22 ASN 5 HD22 ASN 5 13.833 10.212 6.786 36 H LYS 6 H LYS 6 20.028 12.183 5.434 37 HA LYS 6 HA LYS 6 18.794 13.637 3.222 38 HB2 LYS 6 HB2 LYS 6 20.812 14.545 4.353 39 HB3 LYS 6 HB3 LYS 6 21.742 13.148 3.819 40 HG2 LYS 6 HG2 LYS 6 21.516 13.808 1.489 41 HG3 LYS 6 HG3 LYS 6 20.408 15.111 1.923 42 HD2 LYS 6 HD2 LYS 6 22.672 15.972 1.434 43 HD3 LYS 6 HD3 LYS 6 22.211 16.291 3.108 44 HE2 LYS 6 HE2 LYS 6 24.568 15.545 2.904 45 HE3 LYS 6 HE3 LYS 6 23.608 14.430 3.874 46 HZ1 LYS 6 HZ1 LYS 6 24.264 14.032 1.003 47 HZ2 LYS 6 HZ2 LYS 6 23.467 12.937 2.017 48 HZ3 LYS 6 HZ3 LYS 6 25.089 13.314 2.292 49 H GLY 7 H GLY 7 17.777 12.146 1.968 50 HA2 GLY 7 HA2 GLY 7 19.415 10.425 0.238 51 HA3 GLY 7 HA3 GLY 7 18.146 9.644 1.180 52 H LYS 8 H LYS 8 16.072 11.339 1.087 53 HA LYS 8 HA LYS 8 14.291 12.108 -0.049 54 HB2 LYS 8 HB2 LYS 8 16.075 13.834 -0.702 55 HB3 LYS 8 HB3 LYS 8 16.209 13.003 -2.238 56 HG2 LYS 8 HG2 LYS 8 13.542 14.082 -1.295 57 HG3 LYS 8 HG3 LYS 8 14.725 15.154 -2.037 58 HD2 LYS 8 HD2 LYS 8 13.470 12.699 -3.342 59 HD3 LYS 8 HD3 LYS 8 13.054 14.382 -3.677 60 HE2 LYS 8 HE2 LYS 8 15.724 13.036 -4.231 61 HE3 LYS 8 HE3 LYS 8 14.518 13.513 -5.428 62 HZ1 LYS 8 HZ1 LYS 8 14.890 15.816 -4.868 63 HZ2 LYS 8 HZ2 LYS 8 16.369 15.094 -5.262 64 HZ3 LYS 8 HZ3 LYS 8 15.977 15.395 -3.647 65 H LYS 9 H LYS 9 13.588 9.912 -0.269 66 HA LYS 9 HA LYS 9 13.708 8.744 -2.985 67 HB2 LYS 9 HB2 LYS 9 12.664 7.612 -0.350 68 HB3 LYS 9 HB3 LYS 9 12.659 6.745 -1.884 69 HG2 LYS 9 HG2 LYS 9 15.132 7.712 -0.400 70 HG3 LYS 9 HG3 LYS 9 14.539 6.048 -0.458 71 HD2 LYS 9 HD2 LYS 9 14.918 5.992 -2.912 72 HD3 LYS 9 HD3 LYS 9 15.490 7.663 -2.867 73 HE2 LYS 9 HE2 LYS 9 17.387 6.971 -1.439 74 HE3 LYS 9 HE3 LYS 9 16.807 5.304 -1.469 75 HZ1 LYS 9 HZ1 LYS 9 17.128 5.309 -3.884 76 HZ2 LYS 9 HZ2 LYS 9 18.568 5.617 -3.053 77 HZ3 LYS 9 HZ3 LYS 9 17.742 6.883 -3.805 78 H ARG 10 H ARG 10 12.082 11.170 -2.076 79 HA ARG 10 HA ARG 10 9.317 10.471 -2.577 80 HB2 ARG 10 HB2 ARG 10 10.661 13.210 -2.574 81 HB3 ARG 10 HB3 ARG 10 8.925 12.913 -2.518 82 HG2 ARG 10 HG2 ARG 10 10.894 12.090 -0.347 83 HG3 ARG 10 HG3 ARG 10 9.911 13.555 -0.314 84 HD2 ARG 10 HD2 ARG 10 8.805 10.723 -0.394 85 HD3 ARG 10 HD3 ARG 10 8.970 11.699 1.068 86 HE ARG 10 HE ARG 10 7.183 12.363 -1.209 87 HH11 ARG 10 HH11 ARG 10 7.837 12.504 2.200 88 HH12 ARG 10 HH12 ARG 10 6.302 13.196 2.573 89 HH21 ARG 10 HH21 ARG 10 5.209 13.231 -0.687 90 HH22 ARG 10 HH22 ARG 10 4.835 13.598 0.960 91 H ARG 11 H ARG 11 12.089 11.436 -4.475 92 HA ARG 11 HA ARG 11 12.565 11.628 -6.659 93 HB2 ARG 11 HB2 ARG 11 11.774 9.305 -6.689 94 HB3 ARG 11 HB3 ARG 11 10.128 9.842 -6.976 95 HG2 ARG 11 HG2 ARG 11 11.212 8.936 -9.015 96 HG3 ARG 11 HG3 ARG 11 10.707 10.616 -9.211 97 HD2 ARG 11 HD2 ARG 11 12.960 10.129 -10.192 98 HD3 ARG 11 HD3 ARG 11 12.993 11.393 -8.959 99 HE ARG 11 HE ARG 11 13.570 8.908 -7.757 100 HH11 ARG 11 HH11 ARG 11 15.084 11.173 -9.898 101 HH12 ARG 11 HH12 ARG 11 16.671 10.751 -9.376 102 HH21 ARG 11 HH21 ARG 11 15.605 8.402 -7.119 103 HH22 ARG 11 HH22 ARG 11 16.958 9.186 -7.850 104 H ASN 12 H ASN 12 9.133 11.499 -7.561 105 HA ASN 12 HA ASN 12 8.372 14.142 -7.710 106 HB2 ASN 12 HB2 ASN 12 10.509 14.120 -9.353 107 HB3 ASN 12 HB3 ASN 12 9.369 13.452 -10.510 108 HD21 ASN 12 HD21 ASN 12 10.341 16.277 -8.746 109 HD22 ASN 12 HD22 ASN 12 9.299 17.389 -9.558 110 H ARG 13 H ARG 13 6.503 14.428 -9.386 111 HA ARG 13 HA ARG 13 4.493 13.800 -10.205 112 HB2 ARG 13 HB2 ARG 13 6.173 11.487 -11.170 113 HB3 ARG 13 HB3 ARG 13 4.433 11.386 -11.361 114 HG2 ARG 13 HG2 ARG 13 5.370 12.174 -13.417 115 HG3 ARG 13 HG3 ARG 13 4.470 13.500 -12.683 116 HD2 ARG 13 HD2 ARG 13 6.577 14.498 -11.906 117 HD3 ARG 13 HD3 ARG 13 7.486 13.153 -12.607 118 HE ARG 13 HE ARG 13 5.952 14.287 -14.643 119 HH11 ARG 13 HH11 ARG 13 8.552 15.351 -12.615 120 HH12 ARG 13 HH12 ARG 13 9.224 16.357 -13.842 121 HH21 ARG 13 HH21 ARG 13 6.821 15.595 -16.172 122 HH22 ARG 13 HH22 ARG 13 8.247 16.508 -15.824 123 H THR 14 H THR 14 5.548 12.517 -7.425 124 HA THR 14 HA THR 14 3.768 10.281 -7.039 125 HB THR 14 HB THR 14 4.505 10.382 -4.636 126 HG1 THR 14 HG1 THR 14 4.917 12.561 -4.344 127 HG21 THR 14 HG21 THR 14 5.805 9.048 -6.248 128 HG22 THR 14 HG22 THR 14 6.865 9.764 -5.030 129 HG23 THR 14 HG23 THR 14 6.777 10.468 -6.645 130 H THR 15 H THR 15 1.652 10.634 -6.980 131 HA THR 15 HA THR 15 0.385 12.969 -5.791 132 HB THR 15 HB THR 15 -1.740 11.808 -6.453 133 HG1 THR 15 HG1 THR 15 -1.543 9.694 -6.547 134 HG21 THR 15 HG21 THR 15 -1.391 11.874 -8.901 135 HG22 THR 15 HG22 THR 15 0.357 11.880 -8.660 136 HG23 THR 15 HG23 THR 15 -0.613 13.250 -8.114 137 H PHE 16 H PHE 16 1.919 11.720 -3.896 138 HA PHE 16 HA PHE 16 0.054 10.402 -2.041 139 HB2 PHE 16 HB2 PHE 16 2.984 9.633 -2.409 140 HB3 PHE 16 HB3 PHE 16 1.836 8.885 -1.309 141 HD1 PHE 16 HD1 PHE 16 -0.297 7.798 -2.468 142 HD2 PHE 16 HD2 PHE 16 3.400 8.580 -4.468 143 HE1 PHE 16 HE1 PHE 16 -0.835 6.091 -4.151 144 HE2 PHE 16 HE2 PHE 16 2.849 6.876 -6.148 145 HZ PHE 16 HZ PHE 16 0.729 5.629 -5.995 146 H THR 17 H THR 17 0.005 11.443 -0.087 147 HA THR 17 HA THR 17 1.887 13.554 0.565 148 HB THR 17 HB THR 17 0.556 14.000 2.536 149 HG1 THR 17 HG1 THR 17 -1.270 12.476 2.978 150 HG21 THR 17 HG21 THR 17 -0.511 14.743 0.429 151 HG22 THR 17 HG22 THR 17 -1.728 14.265 1.615 152 HG23 THR 17 HG23 THR 17 -1.326 13.180 0.283 153 H SER 18 H SER 18 2.752 13.569 2.953 154 HA SER 18 HA SER 18 4.619 11.483 3.307 155 HB2 SER 18 HB2 SER 18 3.671 13.570 5.312 156 HB3 SER 18 HB3 SER 18 5.113 12.565 5.506 157 HG SER 18 HG SER 18 4.941 14.871 4.276 158 H TYR 19 H TYR 19 1.445 12.031 4.858 159 HA TYR 19 HA TYR 19 1.486 9.812 6.635 160 HB2 TYR 19 HB2 TYR 19 -0.133 11.571 7.007 161 HB3 TYR 19 HB3 TYR 19 -0.818 11.363 5.402 162 HD1 TYR 19 HD2 TYR 19 -0.410 9.559 8.690 163 HD2 TYR 19 HD1 TYR 19 -2.719 9.932 5.101 164 HE1 TYR 19 HE2 TYR 19 -2.089 8.002 9.601 165 HE2 TYR 19 HE1 TYR 19 -4.384 8.375 6.011 166 HH TYR 19 HH TYR 19 -4.413 7.391 9.303 167 H GLN 20 H GLN 20 0.206 10.154 3.298 168 HA GLN 20 HA GLN 20 -0.962 7.585 3.075 169 HB2 GLN 20 HB2 GLN 20 0.126 9.386 0.869 170 HB3 GLN 20 HB3 GLN 20 -0.887 7.966 0.599 171 HG2 GLN 20 HG2 GLN 20 -2.723 9.031 1.868 172 HG3 GLN 20 HG3 GLN 20 -1.716 10.456 2.131 173 HE21 GLN 20 HE21 GLN 20 -4.258 10.442 0.826 174 HE22 GLN 20 HE22 GLN 20 -4.017 10.946 -0.802 175 H LEU 21 H LEU 21 2.267 8.712 1.959 176 HA LEU 21 HA LEU 21 3.258 6.244 1.037 177 HB2 LEU 21 HB2 LEU 21 4.670 8.718 2.072 178 HB3 LEU 21 HB3 LEU 21 5.579 7.310 1.541 179 HG LEU 21 HG LEU 21 3.696 8.950 -0.197 180 HD11 LEU 21 HD11 LEU 21 6.721 8.782 -0.224 181 HD12 LEU 21 HD12 LEU 21 5.747 10.162 0.296 182 HD13 LEU 21 HD13 LEU 21 5.719 9.655 -1.390 183 HD21 LEU 21 HD21 LEU 21 5.431 6.565 -0.935 184 HD22 LEU 21 HD22 LEU 21 4.521 7.572 -2.068 185 HD23 LEU 21 HD23 LEU 21 3.665 6.603 -0.875 186 H GLU 22 H GLU 22 3.309 7.622 4.333 187 HA GLU 22 HA GLU 22 4.975 5.724 5.545 188 HB2 GLU 22 HB2 GLU 22 4.332 7.885 6.599 189 HB3 GLU 22 HB3 GLU 22 2.670 7.315 6.764 190 HG2 GLU 22 HG2 GLU 22 3.471 5.491 8.231 191 HG3 GLU 22 HG3 GLU 22 5.105 6.116 8.085 192 H GLU 23 H GLU 23 1.400 5.874 5.328 193 HA GLU 23 HA GLU 23 0.755 3.489 6.652 194 HB2 GLU 23 HB2 GLU 23 -0.693 5.117 4.547 195 HB3 GLU 23 HB3 GLU 23 -1.415 3.673 5.245 196 HG2 GLU 23 HG2 GLU 23 -0.548 6.098 6.849 197 HG3 GLU 23 HG3 GLU 23 -2.190 5.803 6.275 198 H LEU 24 H LEU 24 1.226 4.061 3.157 199 HA LEU 24 HA LEU 24 0.816 1.486 2.130 200 HB2 LEU 24 HB2 LEU 24 2.719 3.681 1.232 201 HB3 LEU 24 HB3 LEU 24 2.392 2.246 0.274 202 HG LEU 24 HG LEU 24 0.239 4.254 1.066 203 HD11 LEU 24 HD11 LEU 24 1.749 4.103 -1.561 204 HD12 LEU 24 HD12 LEU 24 1.878 5.385 -0.352 205 HD13 LEU 24 HD13 LEU 24 0.360 5.138 -1.212 206 HD21 LEU 24 HD21 LEU 24 -1.101 3.174 -0.677 207 HD22 LEU 24 HD22 LEU 24 -0.619 2.016 0.556 208 HD23 LEU 24 HD23 LEU 24 0.209 2.033 -1.003 209 H GLU 25 H GLU 25 3.841 2.990 3.295 210 HA GLU 25 HA GLU 25 5.606 0.819 3.069 211 HB2 GLU 25 HB2 GLU 25 5.547 3.301 4.785 212 HB3 GLU 25 HB3 GLU 25 6.770 2.086 5.108 213 HG2 GLU 25 HG2 GLU 25 6.393 3.337 2.382 214 HG3 GLU 25 HG3 GLU 25 7.439 4.036 3.615 215 H LYS 26 H LYS 26 3.508 1.732 5.826 216 HA LYS 26 HA LYS 26 4.427 -0.044 7.789 217 HB2 LYS 26 HB2 LYS 26 1.648 1.112 7.330 218 HB3 LYS 26 HB3 LYS 26 2.092 0.222 8.786 219 HG2 LYS 26 HG2 LYS 26 3.653 1.915 9.451 220 HG3 LYS 26 HG3 LYS 26 3.532 2.733 7.894 221 HD2 LYS 26 HD2 LYS 26 2.274 3.970 9.588 222 HD3 LYS 26 HD3 LYS 26 1.171 3.314 8.376 223 HE2 LYS 26 HE2 LYS 26 0.231 3.041 10.614 224 HE3 LYS 26 HE3 LYS 26 0.600 1.459 9.929 225 HZ1 LYS 26 HZ1 LYS 26 1.294 1.593 12.217 226 HZ2 LYS 26 HZ2 LYS 26 2.255 2.943 11.892 227 HZ3 LYS 26 HZ3 LYS 26 2.650 1.443 11.221 228 H VAL 27 H VAL 27 1.794 -0.485 5.425 229 HA VAL 27 HA VAL 27 1.098 -3.146 6.161 230 HB VAL 27 HB VAL 27 0.634 -1.684 3.525 231 HG11 VAL 27 HG11 VAL 27 -1.208 -3.323 3.135 232 HG12 VAL 27 HG12 VAL 27 -0.700 -4.213 4.572 233 HG13 VAL 27 HG13 VAL 27 0.377 -4.104 3.180 234 HG21 VAL 27 HG21 VAL 27 -1.635 -1.215 4.420 235 HG22 VAL 27 HG22 VAL 27 -0.380 -0.507 5.440 236 HG23 VAL 27 HG23 VAL 27 -1.190 -1.993 5.943 237 H PHE 28 H PHE 28 3.452 -1.824 3.822 238 HA PHE 28 HA PHE 28 4.133 -4.303 2.582 239 HB2 PHE 28 HB2 PHE 28 4.631 -2.096 1.531 240 HB3 PHE 28 HB3 PHE 28 5.840 -1.779 2.772 241 HD1 PHE 28 HD1 PHE 28 4.973 -4.192 0.028 242 HD2 PHE 28 HD2 PHE 28 8.096 -2.530 2.443 243 HE1 PHE 28 HE1 PHE 28 6.656 -5.363 -1.325 244 HE2 PHE 28 HE2 PHE 28 9.770 -3.708 1.074 245 HZ PHE 28 HZ PHE 28 9.052 -5.128 -0.810 246 H GLN 29 H GLN 29 5.429 -2.649 5.473 247 HA GLN 29 HA GLN 29 7.810 -4.205 5.738 248 HB2 GLN 29 HB2 GLN 29 6.299 -2.816 7.996 249 HB3 GLN 29 HB3 GLN 29 7.979 -3.336 8.029 250 HG2 GLN 29 HG2 GLN 29 6.765 -1.030 6.499 251 HG3 GLN 29 HG3 GLN 29 7.972 -0.969 7.773 252 HE21 GLN 29 HE21 GLN 29 7.404 -1.456 4.393 253 HE22 GLN 29 HE22 GLN 29 9.058 -1.504 3.902 254 H LYS 30 H LYS 30 4.555 -4.493 7.127 255 HA LYS 30 HA LYS 30 5.165 -6.792 8.750 256 HB2 LYS 30 HB2 LYS 30 3.520 -5.014 9.369 257 HB3 LYS 30 HB3 LYS 30 2.465 -5.559 8.073 258 HG2 LYS 30 HG2 LYS 30 2.040 -7.643 9.168 259 HG3 LYS 30 HG3 LYS 30 3.337 -7.379 10.334 260 HD2 LYS 30 HD2 LYS 30 0.802 -5.695 10.152 261 HD3 LYS 30 HD3 LYS 30 1.044 -7.020 11.294 262 HE2 LYS 30 HE2 LYS 30 2.954 -5.786 12.302 263 HE3 LYS 30 HE3 LYS 30 2.700 -4.469 11.154 264 HZ1 LYS 30 HZ1 LYS 30 1.726 -3.993 13.296 265 HZ2 LYS 30 HZ2 LYS 30 0.755 -5.372 13.207 266 HZ3 LYS 30 HZ3 LYS 30 0.525 -4.102 12.115 267 H THR 31 H THR 31 3.272 -6.287 5.730 268 HA THR 31 HA THR 31 3.921 -9.078 4.962 269 HB THR 31 HB THR 31 1.564 -9.217 5.487 270 HG1 THR 31 HG1 THR 31 0.783 -9.495 3.118 271 HG21 THR 31 HG21 THR 31 0.894 -6.839 5.337 272 HG22 THR 31 HG22 THR 31 -0.180 -7.859 4.378 273 HG23 THR 31 HG23 THR 31 1.062 -6.895 3.578 274 H HIS 32 H HIS 32 5.131 -9.106 3.199 275 HA HIS 32 HA HIS 32 5.511 -6.773 1.525 276 HB2 HIS 32 HB2 HIS 32 6.692 -9.566 1.256 277 HB3 HIS 32 HB3 HIS 32 7.244 -8.127 0.396 278 HD1 HIS 32 HD1 HIS 32 7.775 -10.026 3.467 279 HD2 HIS 32 HD2 HIS 32 8.412 -6.117 2.202 280 HE1 HIS 32 HE1 HIS 32 9.346 -9.026 5.142 281 HE2 HIS 32 HE2 HIS 32 9.578 -6.623 4.454 282 H TYR 33 H TYR 33 3.072 -8.909 1.507 283 HA TYR 33 HA TYR 33 2.412 -8.456 -1.308 284 HB2 TYR 33 HB2 TYR 33 1.607 -10.847 -1.541 285 HB3 TYR 33 HB3 TYR 33 3.352 -10.688 -1.421 286 HD1 TYR 33 HD2 TYR 33 4.438 -11.147 0.915 287 HD2 TYR 33 HD1 TYR 33 0.449 -12.345 -0.054 288 HE1 TYR 33 HE2 TYR 33 4.480 -12.755 2.765 289 HE2 TYR 33 HE1 TYR 33 0.486 -13.959 1.802 290 HH TYR 33 HH TYR 33 2.890 -13.924 4.233 291 HA PRO 34 HA PRO 34 -1.128 -7.451 1.549 292 HB2 PRO 34 HB2 PRO 34 -2.001 -5.195 0.309 293 HB3 PRO 34 HB3 PRO 34 -0.566 -5.197 1.347 294 HG2 PRO 34 HG2 PRO 34 -0.714 -5.372 -1.671 295 HG3 PRO 34 HG3 PRO 34 0.315 -4.329 -0.665 296 HD2 PRO 34 HD2 PRO 34 1.233 -6.662 -1.754 297 HD3 PRO 34 HD3 PRO 34 1.830 -6.046 -0.194 298 H ASP 35 H ASP 35 -3.035 -8.505 1.353 299 HA ASP 35 HA ASP 35 -4.133 -9.358 -1.181 300 HB2 ASP 35 HB2 ASP 35 -5.807 -10.527 0.177 301 HB3 ASP 35 HB3 ASP 35 -4.200 -10.805 0.828 302 H VAL 36 H VAL 36 -6.827 -9.186 -1.006 303 HA VAL 36 HA VAL 36 -7.519 -6.616 -1.842 304 HB VAL 36 HB VAL 36 -8.886 -8.528 -2.489 305 HG11 VAL 36 HG11 VAL 36 -8.764 -9.901 -0.445 306 HG12 VAL 36 HG12 VAL 36 -10.442 -9.686 -0.949 307 HG13 VAL 36 HG13 VAL 36 -9.802 -8.752 0.409 308 HG21 VAL 36 HG21 VAL 36 -10.530 -6.540 -0.876 309 HG22 VAL 36 HG22 VAL 36 -11.152 -7.579 -2.160 310 HG23 VAL 36 HG23 VAL 36 -9.972 -6.322 -2.537 311 H TYR 37 H TYR 37 -8.120 -8.126 1.360 312 HA TYR 37 HA TYR 37 -9.593 -5.905 2.415 313 HB2 TYR 37 HB2 TYR 37 -9.921 -8.288 3.108 314 HB3 TYR 37 HB3 TYR 37 -8.344 -8.262 3.888 315 HD1 TYR 37 HD2 TYR 37 -11.587 -6.364 3.894 316 HD2 TYR 37 HD1 TYR 37 -8.305 -7.813 6.218 317 HE1 TYR 37 HE2 TYR 37 -12.689 -5.575 5.948 318 HE2 TYR 37 HE1 TYR 37 -9.404 -7.029 8.270 319 HH TYR 37 HH TYR 37 -12.644 -6.126 8.402 320 H ALA 38 H ALA 38 -6.214 -6.931 2.590 321 HA ALA 38 HA ALA 38 -5.252 -5.079 4.478 322 HB1 ALA 38 HB1 ALA 38 -3.818 -6.152 2.027 323 HB2 ALA 38 HB2 ALA 38 -3.882 -6.929 3.611 324 HB3 ALA 38 HB3 ALA 38 -3.047 -5.384 3.420 325 H ARG 39 H ARG 39 -5.795 -4.726 0.981 326 HA ARG 39 HA ARG 39 -4.946 -1.946 0.906 327 HB2 ARG 39 HB2 ARG 39 -6.279 -3.692 -1.202 328 HB3 ARG 39 HB3 ARG 39 -5.666 -2.059 -1.484 329 HG2 ARG 39 HG2 ARG 39 -3.373 -2.833 -0.920 330 HG3 ARG 39 HG3 ARG 39 -3.996 -4.468 -0.662 331 HD2 ARG 39 HD2 ARG 39 -4.033 -2.920 -3.283 332 HD3 ARG 39 HD3 ARG 39 -2.959 -4.266 -2.874 333 HE ARG 39 HE ARG 39 -5.888 -4.644 -2.913 334 HH11 ARG 39 HH11 ARG 39 -2.791 -5.525 -4.197 335 HH12 ARG 39 HH12 ARG 39 -3.437 -6.851 -5.087 336 HH21 ARG 39 HH21 ARG 39 -6.670 -6.328 -4.025 337 HH22 ARG 39 HH22 ARG 39 -5.617 -7.310 -4.978 338 H GLU 40 H GLU 40 -7.997 -3.625 1.455 339 HA GLU 40 HA GLU 40 -9.793 -1.508 0.815 340 HB2 GLU 40 HB2 GLU 40 -10.086 -3.747 2.867 341 HB3 GLU 40 HB3 GLU 40 -11.383 -2.634 2.440 342 HG2 GLU 40 HG2 GLU 40 -10.058 -4.657 0.616 343 HG3 GLU 40 HG3 GLU 40 -11.671 -4.753 1.300 344 H GLN 41 H GLN 41 -8.435 -2.503 3.971 345 HA GLN 41 HA GLN 41 -9.446 -0.365 5.534 346 HB2 GLN 41 HB2 GLN 41 -6.904 -1.988 6.000 347 HB3 GLN 41 HB3 GLN 41 -7.796 -1.085 7.225 348 HG2 GLN 41 HG2 GLN 41 -9.674 -2.612 7.056 349 HG3 GLN 41 HG3 GLN 41 -8.927 -3.459 5.703 350 HE21 GLN 41 HE21 GLN 41 -7.081 -4.776 6.123 351 HE22 GLN 41 HE22 GLN 41 -6.762 -5.381 7.708 352 H LEU 42 H LEU 42 -6.434 -0.808 3.786 353 HA LEU 42 HA LEU 42 -5.011 1.466 4.643 354 HB2 LEU 42 HB2 LEU 42 -4.011 -0.546 3.618 355 HB3 LEU 42 HB3 LEU 42 -4.776 -0.153 2.090 356 HG LEU 42 HG LEU 42 -3.362 1.847 1.847 357 HD11 LEU 42 HD11 LEU 42 -2.128 1.050 4.501 358 HD12 LEU 42 HD12 LEU 42 -3.121 2.479 4.191 359 HD13 LEU 42 HD13 LEU 42 -1.543 2.323 3.426 360 HD21 LEU 42 HD21 LEU 42 -2.528 -0.273 0.955 361 HD22 LEU 42 HD22 LEU 42 -1.750 -0.641 2.496 362 HD23 LEU 42 HD23 LEU 42 -1.196 0.729 1.533 363 H ALA 43 H ALA 43 -6.901 0.933 1.626 364 HA ALA 43 HA ALA 43 -6.426 3.490 0.482 365 HB1 ALA 43 HB1 ALA 43 -8.209 2.919 -1.113 366 HB2 ALA 43 HB2 ALA 43 -8.706 1.567 -0.087 367 HB3 ALA 43 HB3 ALA 43 -7.120 1.553 -0.861 368 H MET 44 H MET 44 -8.881 2.361 2.754 369 HA MET 44 HA MET 44 -10.581 4.644 2.647 370 HB2 MET 44 HB2 MET 44 -10.122 2.627 4.870 371 HB3 MET 44 HB3 MET 44 -11.347 3.886 4.940 372 HG2 MET 44 HG2 MET 44 -11.232 1.608 2.959 373 HG3 MET 44 HG3 MET 44 -12.352 1.775 4.304 374 HE1 MET 44 HE1 MET 44 -12.834 3.507 0.117 375 HE2 MET 44 HE2 MET 44 -12.206 1.931 0.596 376 HE3 MET 44 HE3 MET 44 -11.231 3.381 0.844 377 H ARG 45 H ARG 45 -7.806 3.861 4.808 378 HA ARG 45 HA ARG 45 -8.010 6.258 6.371 379 HB2 ARG 45 HB2 ARG 45 -5.567 4.462 6.029 380 HB3 ARG 45 HB3 ARG 45 -5.808 5.660 7.303 381 HG2 ARG 45 HG2 ARG 45 -7.875 4.260 7.975 382 HG3 ARG 45 HG3 ARG 45 -7.221 3.010 6.915 383 HD2 ARG 45 HD2 ARG 45 -6.425 2.454 9.083 384 HD3 ARG 45 HD3 ARG 45 -5.041 3.211 8.280 385 HE ARG 45 HE ARG 45 -6.804 4.809 10.026 386 HH11 ARG 45 HH11 ARG 45 -3.626 3.658 9.361 387 HH12 ARG 45 HH12 ARG 45 -2.939 4.528 10.686 388 HH21 ARG 45 HH21 ARG 45 -5.891 5.910 11.688 389 HH22 ARG 45 HH22 ARG 45 -4.194 5.771 11.976 390 H THR 46 H THR 46 -6.070 5.351 3.552 391 HA THR 46 HA THR 46 -4.522 7.808 3.480 392 HB THR 46 HB THR 46 -3.579 6.916 1.360 393 HG1 THR 46 HG1 THR 46 -4.739 4.437 1.503 394 HG21 THR 46 HG21 THR 46 -3.683 4.809 3.554 395 HG22 THR 46 HG22 THR 46 -2.557 6.169 3.480 396 HG23 THR 46 HG23 THR 46 -2.488 4.900 2.257 397 H ASP 47 H ASP 47 -7.530 6.734 2.125 398 HA ASP 47 HA ASP 47 -9.075 7.564 0.712 399 HB2 ASP 47 HB2 ASP 47 -7.496 10.170 0.835 400 HB3 ASP 47 HB3 ASP 47 -9.113 10.004 0.155 401 H LEU 48 H LEU 48 -6.489 6.354 -0.269 402 HA LEU 48 HA LEU 48 -6.104 7.480 -2.946 403 HB2 LEU 48 HB2 LEU 48 -4.789 5.182 -1.454 404 HB3 LEU 48 HB3 LEU 48 -4.411 5.559 -3.132 405 HG LEU 48 HG LEU 48 -3.997 7.505 -0.821 406 HD11 LEU 48 HD11 LEU 48 -2.525 5.567 -0.560 407 HD12 LEU 48 HD12 LEU 48 -1.605 6.996 -1.019 408 HD13 LEU 48 HD13 LEU 48 -1.952 5.749 -2.222 409 HD21 LEU 48 HD21 LEU 48 -3.059 7.633 -3.715 410 HD22 LEU 48 HD22 LEU 48 -2.677 8.803 -2.446 411 HD23 LEU 48 HD23 LEU 48 -4.340 8.615 -2.996 412 H THR 49 H THR 49 -6.340 6.273 -4.879 413 HA THR 49 HA THR 49 -8.534 4.410 -5.073 414 HB THR 49 HB THR 49 -6.487 5.173 -7.226 415 HG1 THR 49 HG1 THR 49 -8.986 6.396 -6.556 416 HG21 THR 49 HG21 THR 49 -7.850 3.194 -7.849 417 HG22 THR 49 HG22 THR 49 -8.280 4.594 -8.838 418 HG23 THR 49 HG23 THR 49 -9.326 4.093 -7.505 419 H GLU 50 H GLU 50 -8.397 2.179 -5.702 420 HA GLU 50 HA GLU 50 -6.524 0.553 -4.453 421 HB2 GLU 50 HB2 GLU 50 -8.792 -0.176 -5.230 422 HB3 GLU 50 HB3 GLU 50 -8.208 -0.169 -6.890 423 HG2 GLU 50 HG2 GLU 50 -6.513 -1.930 -6.202 424 HG3 GLU 50 HG3 GLU 50 -7.326 -2.006 -4.641 425 H ALA 51 H ALA 51 -6.533 1.758 -7.791 426 HA ALA 51 HA ALA 51 -4.343 0.305 -8.831 427 HB1 ALA 51 HB1 ALA 51 -5.943 1.559 -10.222 428 HB2 ALA 51 HB2 ALA 51 -4.281 2.036 -10.579 429 HB3 ALA 51 HB3 ALA 51 -5.311 3.081 -9.592 430 H ARG 52 H ARG 52 -4.412 3.538 -7.242 431 HA ARG 52 HA ARG 52 -1.626 4.079 -7.478 432 HB2 ARG 52 HB2 ARG 52 -3.893 5.269 -5.899 433 HB3 ARG 52 HB3 ARG 52 -2.269 5.636 -5.339 434 HG2 ARG 52 HG2 ARG 52 -3.073 7.409 -6.789 435 HG3 ARG 52 HG3 ARG 52 -1.697 6.590 -7.524 436 HD2 ARG 52 HD2 ARG 52 -3.275 5.301 -8.962 437 HD3 ARG 52 HD3 ARG 52 -4.619 6.206 -8.261 438 HE ARG 52 HE ARG 52 -3.279 8.240 -9.158 439 HH11 ARG 52 HH11 ARG 52 -3.480 5.181 -10.806 440 HH12 ARG 52 HH12 ARG 52 -3.327 5.910 -12.362 441 HH21 ARG 52 HH21 ARG 52 -3.048 9.111 -11.168 442 HH22 ARG 52 HH22 ARG 52 -3.089 8.093 -12.562 443 H VAL 53 H VAL 53 -3.517 2.467 -4.983 444 HA VAL 53 HA VAL 53 -1.448 2.055 -3.074 445 HB VAL 53 HB VAL 53 -4.001 0.448 -3.579 446 HG11 VAL 53 HG11 VAL 53 -2.398 -0.871 -2.252 447 HG12 VAL 53 HG12 VAL 53 -3.770 -0.376 -1.258 448 HG13 VAL 53 HG13 VAL 53 -2.223 0.466 -1.111 449 HG21 VAL 53 HG21 VAL 53 -4.479 2.817 -3.071 450 HG22 VAL 53 HG22 VAL 53 -3.497 2.717 -1.607 451 HG23 VAL 53 HG23 VAL 53 -4.988 1.780 -1.736 452 H GLN 54 H GLN 54 -2.762 -0.036 -5.661 453 HA GLN 54 HA GLN 54 -1.231 -2.342 -5.004 454 HB2 GLN 54 HB2 GLN 54 -3.479 -2.382 -6.128 455 HB3 GLN 54 HB3 GLN 54 -2.724 -1.765 -7.593 456 HG2 GLN 54 HG2 GLN 54 -1.397 -3.811 -7.821 457 HG3 GLN 54 HG3 GLN 54 -2.023 -4.411 -6.285 458 HE21 GLN 54 HE21 GLN 54 -2.789 -3.815 -9.642 459 HE22 GLN 54 HE22 GLN 54 -4.251 -4.724 -9.676 460 H VAL 55 H VAL 55 -0.901 0.057 -7.686 461 HA VAL 55 HA VAL 55 1.360 -1.100 -8.949 462 HB VAL 55 HB VAL 55 0.458 1.815 -8.917 463 HG11 VAL 55 HG11 VAL 55 2.554 0.530 -10.722 464 HG12 VAL 55 HG12 VAL 55 2.860 1.763 -9.496 465 HG13 VAL 55 HG13 VAL 55 1.900 2.158 -10.923 466 HG21 VAL 55 HG21 VAL 55 0.078 -0.355 -11.014 467 HG22 VAL 55 HG22 VAL 55 -0.449 1.323 -11.170 468 HG23 VAL 55 HG23 VAL 55 -1.176 0.281 -9.944 469 H TRP 56 H TRP 56 1.110 1.207 -6.259 470 HA TRP 56 HA TRP 56 3.802 1.910 -5.940 471 HB2 TRP 56 HB2 TRP 56 1.871 2.968 -4.722 472 HB3 TRP 56 HB3 TRP 56 1.737 1.528 -3.721 473 HD1 TRP 56 HD1 TRP 56 3.796 4.706 -4.142 474 HE1 TRP 56 HE1 TRP 56 5.380 4.963 -2.139 475 HE3 TRP 56 HE3 TRP 56 3.139 0.117 -1.950 476 HZ2 TRP 56 HZ2 TRP 56 6.240 3.456 0.085 477 HZ3 TRP 56 HZ3 TRP 56 4.388 -0.395 0.106 478 HH2 TRP 56 HH2 TRP 56 5.907 1.240 1.092 479 H PHE 57 H PHE 57 1.982 -0.799 -4.432 480 HA PHE 57 HA PHE 57 4.170 -1.929 -3.019 481 HB2 PHE 57 HB2 PHE 57 1.484 -3.066 -3.848 482 HB3 PHE 57 HB3 PHE 57 2.669 -4.057 -3.003 483 HD1 PHE 57 HD1 PHE 57 3.513 -3.257 -0.724 484 HD2 PHE 57 HD2 PHE 57 0.051 -1.615 -2.612 485 HE1 PHE 57 HE1 PHE 57 2.725 -2.400 1.434 486 HE2 PHE 57 HE2 PHE 57 -0.708 -0.754 -0.450 487 HZ PHE 57 HZ PHE 57 0.625 -1.144 1.573 488 H GLN 58 H GLN 58 2.877 -2.670 -6.281 489 HA GLN 58 HA GLN 58 4.553 -4.953 -6.716 490 HB2 GLN 58 HB2 GLN 58 3.148 -3.180 -8.756 491 HB3 GLN 58 HB3 GLN 58 3.854 -4.753 -9.094 492 HG2 GLN 58 HG2 GLN 58 1.509 -4.249 -7.231 493 HG3 GLN 58 HG3 GLN 58 1.387 -4.822 -8.888 494 HE21 GLN 58 HE21 GLN 58 0.302 -6.703 -8.245 495 HE22 GLN 58 HE22 GLN 58 1.091 -7.998 -7.422 496 H ASN 59 H ASN 59 4.917 -1.528 -7.426 497 HA ASN 59 HA ASN 59 7.425 -1.588 -8.786 498 HB2 ASN 59 HB2 ASN 59 5.785 0.353 -8.682 499 HB3 ASN 59 HB3 ASN 59 6.285 0.636 -7.024 500 HD21 ASN 59 HD21 ASN 59 6.388 2.426 -9.266 501 HD22 ASN 59 HD22 ASN 59 8.031 2.893 -9.478 502 H ARG 60 H ARG 60 6.481 -1.348 -5.387 503 HA ARG 60 HA ARG 60 9.013 -0.911 -4.213 504 HB2 ARG 60 HB2 ARG 60 6.672 -0.584 -3.169 505 HB3 ARG 60 HB3 ARG 60 6.662 -2.315 -2.880 506 HG2 ARG 60 HG2 ARG 60 7.406 -1.552 -0.831 507 HG3 ARG 60 HG3 ARG 60 8.949 -1.835 -1.638 508 HD2 ARG 60 HD2 ARG 60 7.536 0.835 -1.272 509 HD3 ARG 60 HD3 ARG 60 9.007 0.300 -0.464 510 HE ARG 60 HE ARG 60 10.082 0.351 -2.707 511 HH11 ARG 60 HH11 ARG 60 7.281 2.314 -2.174 512 HH12 ARG 60 HH12 ARG 60 7.750 3.485 -3.350 513 HH21 ARG 60 HH21 ARG 60 10.626 1.868 -4.236 514 HH22 ARG 60 HH22 ARG 60 9.600 3.231 -4.499 515 H ARG 61 H ARG 61 7.213 -3.874 -4.954 516 HA ARG 61 HA ARG 61 9.026 -5.754 -3.756 517 HB2 ARG 61 HB2 ARG 61 6.817 -6.122 -5.820 518 HB3 ARG 61 HB3 ARG 61 7.689 -7.458 -5.072 519 HG2 ARG 61 HG2 ARG 61 6.777 -6.904 -2.890 520 HG3 ARG 61 HG3 ARG 61 6.037 -5.434 -3.529 521 HD2 ARG 61 HD2 ARG 61 4.350 -7.185 -3.279 522 HD3 ARG 61 HD3 ARG 61 4.578 -6.803 -4.991 523 HE ARG 61 HE ARG 61 6.198 -9.009 -4.127 524 HH11 ARG 61 HH11 ARG 61 3.015 -8.212 -5.238 525 HH12 ARG 61 HH12 ARG 61 2.687 -9.825 -5.752 526 HH21 ARG 61 HH21 ARG 61 5.748 -11.049 -4.787 527 HH22 ARG 61 HH22 ARG 61 4.221 -11.414 -5.504 528 H ALA 62 H ALA 62 8.530 -4.528 -7.069 529 HA ALA 62 HA ALA 62 10.355 -6.158 -8.467 530 HB1 ALA 62 HB1 ALA 62 8.697 -4.727 -9.587 531 HB2 ALA 62 HB2 ALA 62 10.319 -4.403 -10.203 532 HB3 ALA 62 HB3 ALA 62 9.565 -3.285 -9.060 533 H LYS 63 H LYS 63 10.843 -3.122 -6.707 534 HA LYS 63 HA LYS 63 13.664 -2.902 -7.227 535 HB2 LYS 63 HB2 LYS 63 12.169 -0.944 -6.731 536 HB3 LYS 63 HB3 LYS 63 11.967 -1.525 -5.086 537 HG2 LYS 63 HG2 LYS 63 14.719 -0.881 -6.177 538 HG3 LYS 63 HG3 LYS 63 13.667 0.405 -5.586 539 HD2 LYS 63 HD2 LYS 63 13.657 -0.515 -3.348 540 HD3 LYS 63 HD3 LYS 63 14.437 -2.004 -3.881 541 HE2 LYS 63 HE2 LYS 63 16.471 -0.664 -4.473 542 HE3 LYS 63 HE3 LYS 63 15.690 0.757 -3.771 543 HZ1 LYS 63 HZ1 LYS 63 15.636 -0.329 -1.645 544 HZ2 LYS 63 HZ2 LYS 63 17.217 -0.381 -2.241 545 HZ3 LYS 63 HZ3 LYS 63 16.246 -1.761 -2.302 546 H TRP 64 H TRP 64 11.668 -4.187 -4.604 547 HA TRP 64 HA TRP 64 13.556 -4.557 -2.569 548 HB2 TRP 64 HB2 TRP 64 11.097 -4.671 -2.244 549 HB3 TRP 64 HB3 TRP 64 11.035 -6.171 -3.155 550 HD1 TRP 64 HD1 TRP 64 12.072 -4.802 0.293 551 HE1 TRP 64 HE1 TRP 64 12.272 -6.778 1.925 552 HE3 TRP 64 HE3 TRP 64 11.504 -8.660 -3.016 553 HZ2 TRP 64 HZ2 TRP 64 12.210 -9.591 1.830 554 HZ3 TRP 64 HZ3 TRP 64 11.593 -10.970 -2.167 555 HH2 TRP 64 HH2 TRP 64 11.939 -11.426 0.213 556 H ARG 65 H ARG 65 12.563 -6.814 -5.152 557 HA ARG 65 HA ARG 65 14.292 -8.970 -4.362 558 HB2 ARG 65 HB2 ARG 65 12.983 -8.435 -7.064 559 HB3 ARG 65 HB3 ARG 65 13.720 -9.958 -6.568 560 HG2 ARG 65 HG2 ARG 65 12.002 -10.173 -4.775 561 HG3 ARG 65 HG3 ARG 65 11.251 -8.676 -5.343 562 HD2 ARG 65 HD2 ARG 65 10.065 -10.647 -6.218 563 HD3 ARG 65 HD3 ARG 65 10.798 -9.721 -7.530 564 HE ARG 65 HE ARG 65 12.331 -11.985 -6.490 565 HH11 ARG 65 HH11 ARG 65 10.278 -10.823 -9.029 566 HH12 ARG 65 HH12 ARG 65 10.715 -12.105 -10.096 567 HH21 ARG 65 HH21 ARG 65 12.867 -13.596 -7.867 568 HH22 ARG 65 HH22 ARG 65 12.171 -13.660 -9.442 569 H LYS 66 H LYS 66 14.444 -7.138 -7.442 570 HA LYS 66 HA LYS 66 17.081 -6.130 -7.105 571 HB2 LYS 66 HB2 LYS 66 17.721 -8.506 -7.482 572 HB3 LYS 66 HB3 LYS 66 16.823 -8.527 -8.997 573 HG2 LYS 66 HG2 LYS 66 18.357 -6.867 -9.963 574 HG3 LYS 66 HG3 LYS 66 19.236 -6.752 -8.431 575 HD2 LYS 66 HD2 LYS 66 19.910 -9.129 -8.643 576 HD3 LYS 66 HD3 LYS 66 19.011 -9.259 -10.159 577 HE2 LYS 66 HE2 LYS 66 20.517 -7.598 -11.195 578 HE3 LYS 66 HE3 LYS 66 21.398 -7.436 -9.673 579 HZ1 LYS 66 HZ1 LYS 66 21.981 -9.788 -9.836 580 HZ2 LYS 66 HZ2 LYS 66 22.557 -8.905 -11.156 581 HZ3 LYS 66 HZ3 LYS 66 21.194 -9.888 -11.328 582 H ARG 67 H ARG 67 16.863 -4.244 -8.155 583 HA ARG 67 HA ARG 67 15.135 -4.030 -10.544 584 HB2 ARG 67 HB2 ARG 67 14.583 -2.600 -8.595 585 HB3 ARG 67 HB3 ARG 67 16.180 -1.863 -8.676 586 HG2 ARG 67 HG2 ARG 67 15.669 -0.848 -10.822 587 HG3 ARG 67 HG3 ARG 67 14.136 -1.718 -10.920 588 HD2 ARG 67 HD2 ARG 67 13.269 -0.462 -9.007 589 HD3 ARG 67 HD3 ARG 67 14.823 0.362 -8.816 590 HE ARG 67 HE ARG 67 14.189 0.990 -11.342 591 HH11 ARG 67 HH11 ARG 67 12.222 1.179 -8.493 592 HH12 ARG 67 HH12 ARG 67 11.360 2.559 -9.070 593 HH21 ARG 67 HH21 ARG 67 13.090 2.737 -12.031 594 HH22 ARG 67 HH22 ARG 67 11.840 3.423 -11.053 595 H GLU 68 H GLU 68 18.338 -2.873 -9.344 596 HA GLU 68 HA GLU 68 19.181 -1.981 -11.957 597 HB2 GLU 68 HB2 GLU 68 20.058 -0.818 -9.993 598 HB3 GLU 68 HB3 GLU 68 20.763 -2.310 -9.374 599 HG2 GLU 68 HG2 GLU 68 22.366 -2.379 -11.210 600 HG3 GLU 68 HG3 GLU 68 21.595 -0.994 -11.983 601 H ARG 69 H ARG 69 20.193 -3.094 -13.498 602 HA ARG 69 HA ARG 69 21.446 -5.723 -12.942 603 HB2 ARG 69 HB2 ARG 69 19.246 -6.100 -13.982 604 HB3 ARG 69 HB3 ARG 69 19.627 -4.976 -15.283 605 HG2 ARG 69 HG2 ARG 69 21.452 -6.521 -16.032 606 HG3 ARG 69 HG3 ARG 69 20.971 -7.662 -14.772 607 HD2 ARG 69 HD2 ARG 69 18.778 -7.941 -15.826 608 HD3 ARG 69 HD3 ARG 69 19.168 -6.699 -17.025 609 HE ARG 69 HE ARG 69 21.056 -8.859 -17.038 610 HH11 ARG 69 HH11 ARG 69 17.944 -7.936 -18.271 611 HH12 ARG 69 HH12 ARG 69 18.042 -9.034 -19.601 612 HH21 ARG 69 HH21 ARG 69 21.143 -10.225 -18.766 613 HH22 ARG 69 HH22 ARG 69 19.812 -10.311 -19.867 614 H PHE 70 H PHE 70 23.420 -6.023 -13.867 615 HA PHE 70 HA PHE 70 24.270 -4.519 -16.235 616 HB2 PHE 70 HB2 PHE 70 26.430 -3.831 -15.223 617 HB3 PHE 70 HB3 PHE 70 25.068 -3.085 -14.404 618 HD1 PHE 70 HD1 PHE 70 24.422 -3.839 -12.096 619 HD2 PHE 70 HD2 PHE 70 27.936 -5.331 -14.038 620 HE1 PHE 70 HE1 PHE 70 25.302 -4.608 -9.932 621 HE2 PHE 70 HE2 PHE 70 28.801 -6.100 -11.871 622 HZ PHE 70 HZ PHE 70 27.489 -5.736 -9.818 623 H GLY 71 H GLY 71 26.818 -5.344 -16.566 624 HA2 GLY 71 HA2 GLY 71 28.215 -7.332 -16.567 625 HA3 GLY 71 HA3 GLY 71 26.770 -8.319 -16.420 626 H GLN 72 H GLN 72 27.333 -5.593 -18.590 627 HA GLN 72 HA GLN 72 26.834 -7.280 -20.967 628 HB2 GLN 72 HB2 GLN 72 25.420 -5.221 -20.539 629 HB3 GLN 72 HB3 GLN 72 26.860 -4.226 -20.684 630 HG2 GLN 72 HG2 GLN 72 25.615 -4.109 -22.745 631 HG3 GLN 72 HG3 GLN 72 27.112 -4.995 -23.043 632 HE21 GLN 72 HE21 GLN 72 26.229 -5.994 -24.882 633 HE22 GLN 72 HE22 GLN 72 25.043 -7.242 -24.780 634 H MET 73 H MET 73 28.812 -8.168 -21.576 635 HA MET 73 HA MET 73 31.020 -6.374 -22.294 636 HB2 MET 73 HB2 MET 73 32.722 -7.627 -21.016 637 HB3 MET 73 HB3 MET 73 31.534 -6.898 -19.949 638 HG2 MET 73 HG2 MET 73 30.467 -9.049 -19.591 639 HG3 MET 73 HG3 MET 73 31.547 -9.817 -20.764 640 HE1 MET 73 HE1 MET 73 31.242 -11.118 -17.939 641 HE2 MET 73 HE2 MET 73 32.922 -11.394 -17.478 642 HE3 MET 73 HE3 MET 73 32.392 -11.692 -19.138 643 H GLN 74 H GLN 74 29.642 -9.639 -22.417 644 HA GLN 74 HA GLN 74 29.866 -11.428 -23.756 645 HB2 GLN 74 HB2 GLN 74 30.848 -9.325 -25.718 646 HB3 GLN 74 HB3 GLN 74 30.755 -11.022 -26.170 647 HG2 GLN 74 HG2 GLN 74 28.775 -9.953 -26.974 648 HG3 GLN 74 HG3 GLN 74 28.315 -10.991 -25.633 649 HE21 GLN 74 HE21 GLN 74 29.734 -7.735 -25.397 650 HE22 GLN 74 HE22 GLN 74 28.338 -6.999 -24.707 651 H GLN 75 H GLN 75 31.226 -13.107 -23.478 652 HA GLN 75 HA GLN 75 33.625 -12.779 -22.130 653 HB2 GLN 75 HB2 GLN 75 33.962 -15.236 -22.341 654 HB3 GLN 75 HB3 GLN 75 32.354 -14.784 -21.798 655 HG2 GLN 75 HG2 GLN 75 31.430 -15.291 -23.997 656 HG3 GLN 75 HG3 GLN 75 33.039 -15.625 -24.632 657 HE21 GLN 75 HE21 GLN 75 30.760 -17.408 -24.587 658 HE22 GLN 75 HE22 GLN 75 31.225 -18.795 -23.671 Start of MODEL 15 1 H1 SER 1 H1 SER 1 20.246 17.052 2.107 2 H2 SER 1 H2 SER 1 18.648 17.514 2.413 3 H3 SER 1 H3 SER 1 19.806 18.681 2.019 4 HA SER 1 HA SER 1 18.861 16.513 0.241 5 HB2 SER 1 HB2 SER 1 18.272 19.506 0.157 6 HB3 SER 1 HB3 SER 1 17.719 18.319 -1.028 7 HG SER 1 HG SER 1 16.273 17.560 0.371 8 H HIS 2 H HIS 2 20.584 15.916 -0.985 9 HA HIS 2 HA HIS 2 21.878 17.800 -2.736 10 HB2 HIS 2 HB2 HIS 2 23.332 18.105 -0.750 11 HB3 HIS 2 HB3 HIS 2 23.620 16.373 -0.665 12 HD1 HIS 2 HD1 HIS 2 24.967 15.355 -2.818 13 HD2 HIS 2 HD2 HIS 2 25.161 19.476 -2.301 14 HE1 HIS 2 HE1 HIS 2 26.910 16.114 -4.207 15 HE2 HIS 2 HE2 HIS 2 27.007 18.600 -3.884 16 H MET 3 H MET 3 21.276 16.597 -4.503 17 HA MET 3 HA MET 3 21.978 13.765 -4.761 18 HB2 MET 3 HB2 MET 3 20.721 15.696 -6.768 19 HB3 MET 3 HB3 MET 3 20.976 13.976 -7.049 20 HG2 MET 3 HG2 MET 3 19.430 13.457 -5.187 21 HG3 MET 3 HG3 MET 3 19.157 15.187 -4.949 22 HE1 MET 3 HE1 MET 3 15.769 13.952 -6.572 23 HE2 MET 3 HE2 MET 3 16.492 14.783 -5.196 24 HE3 MET 3 HE3 MET 3 16.776 13.058 -5.436 25 H SER 4 H SER 4 23.316 13.011 -6.576 26 HA SER 4 HA SER 4 25.756 14.510 -6.949 27 HB2 SER 4 HB2 SER 4 24.844 11.927 -8.301 28 HB3 SER 4 HB3 SER 4 26.482 12.586 -8.341 29 HG SER 4 HG SER 4 26.574 11.208 -6.689 30 H ASN 5 H ASN 5 26.609 15.320 -8.954 31 HA ASN 5 HA ASN 5 24.612 16.738 -10.492 32 HB2 ASN 5 HB2 ASN 5 26.772 17.739 -9.617 33 HB3 ASN 5 HB3 ASN 5 27.638 16.810 -10.834 34 HD21 ASN 5 HD21 ASN 5 28.418 18.670 -11.850 35 HD22 ASN 5 HD22 ASN 5 27.402 19.730 -12.759 36 H LYS 6 H LYS 6 25.465 13.663 -10.919 37 HA LYS 6 HA LYS 6 25.529 13.602 -13.855 38 HB2 LYS 6 HB2 LYS 6 25.744 11.470 -11.701 39 HB3 LYS 6 HB3 LYS 6 25.414 11.020 -13.366 40 HG2 LYS 6 HG2 LYS 6 27.784 10.786 -12.912 41 HG3 LYS 6 HG3 LYS 6 27.525 12.075 -14.090 42 HD2 LYS 6 HD2 LYS 6 27.804 13.757 -12.256 43 HD3 LYS 6 HD3 LYS 6 28.128 12.443 -11.121 44 HE2 LYS 6 HE2 LYS 6 30.152 11.836 -12.373 45 HE3 LYS 6 HE3 LYS 6 29.795 13.070 -13.586 46 HZ1 LYS 6 HZ1 LYS 6 31.445 13.830 -12.011 47 HZ2 LYS 6 HZ2 LYS 6 30.384 13.574 -10.721 48 HZ3 LYS 6 HZ3 LYS 6 30.040 14.757 -11.875 49 H GLY 7 H GLY 7 23.146 14.328 -11.815 50 HA2 GLY 7 HA2 GLY 7 21.002 12.570 -12.374 51 HA3 GLY 7 HA3 GLY 7 20.858 14.226 -11.817 52 H LYS 8 H LYS 8 20.076 12.179 -14.300 53 HA LYS 8 HA LYS 8 20.093 14.064 -16.532 54 HB2 LYS 8 HB2 LYS 8 18.891 11.269 -16.247 55 HB3 LYS 8 HB3 LYS 8 18.913 12.197 -17.745 56 HG2 LYS 8 HG2 LYS 8 21.388 12.126 -17.747 57 HG3 LYS 8 HG3 LYS 8 21.357 11.179 -16.251 58 HD2 LYS 8 HD2 LYS 8 20.161 9.362 -17.399 59 HD3 LYS 8 HD3 LYS 8 20.089 10.312 -18.886 60 HE2 LYS 8 HE2 LYS 8 22.559 10.234 -19.039 61 HE3 LYS 8 HE3 LYS 8 22.621 9.284 -17.552 62 HZ1 LYS 8 HZ1 LYS 8 21.318 8.469 -20.087 63 HZ2 LYS 8 HZ2 LYS 8 21.343 7.562 -18.664 64 HZ3 LYS 8 HZ3 LYS 8 22.782 7.882 -19.482 65 H LYS 9 H LYS 9 17.820 14.074 -17.821 66 HA LYS 9 HA LYS 9 15.622 14.817 -16.054 67 HB2 LYS 9 HB2 LYS 9 16.084 15.959 -18.285 68 HB3 LYS 9 HB3 LYS 9 15.560 14.484 -19.090 69 HG2 LYS 9 HG2 LYS 9 13.314 14.735 -18.071 70 HG3 LYS 9 HG3 LYS 9 13.852 16.209 -17.259 71 HD2 LYS 9 HD2 LYS 9 14.278 17.234 -19.510 72 HD3 LYS 9 HD3 LYS 9 13.614 15.782 -20.264 73 HE2 LYS 9 HE2 LYS 9 11.918 17.548 -20.187 74 HE3 LYS 9 HE3 LYS 9 11.438 16.218 -19.134 75 HZ1 LYS 9 HZ1 LYS 9 11.080 18.368 -18.100 76 HZ2 LYS 9 HZ2 LYS 9 12.719 18.745 -18.246 77 HZ3 LYS 9 HZ3 LYS 9 12.230 17.480 -17.237 78 H ARG 10 H ARG 10 15.953 12.584 -15.059 79 HA ARG 10 HA ARG 10 14.676 10.359 -16.525 80 HB2 ARG 10 HB2 ARG 10 17.009 10.096 -15.526 81 HB3 ARG 10 HB3 ARG 10 16.294 10.255 -13.928 82 HG2 ARG 10 HG2 ARG 10 16.700 7.904 -14.413 83 HG3 ARG 10 HG3 ARG 10 14.962 8.194 -14.339 84 HD2 ARG 10 HD2 ARG 10 15.305 8.501 -17.002 85 HD3 ARG 10 HD3 ARG 10 16.679 7.440 -16.686 86 HE ARG 10 HE ARG 10 13.835 6.811 -16.410 87 HH11 ARG 10 HH11 ARG 10 17.083 5.628 -16.037 88 HH12 ARG 10 HH12 ARG 10 16.570 3.979 -15.983 89 HH21 ARG 10 HH21 ARG 10 13.229 4.719 -16.357 90 HH22 ARG 10 HH22 ARG 10 14.418 3.479 -16.153 91 H ARG 11 H ARG 11 13.398 12.728 -15.006 92 HA ARG 11 HA ARG 11 11.368 13.154 -14.133 93 HB2 ARG 11 HB2 ARG 11 10.528 11.204 -15.405 94 HB3 ARG 11 HB3 ARG 11 10.964 10.139 -14.078 95 HG2 ARG 11 HG2 ARG 11 9.284 11.255 -12.631 96 HG3 ARG 11 HG3 ARG 11 8.843 12.313 -13.974 97 HD2 ARG 11 HD2 ARG 11 8.542 9.290 -13.904 98 HD3 ARG 11 HD3 ARG 11 7.234 10.467 -13.749 99 HE ARG 11 HE ARG 11 8.880 10.252 -16.205 100 HH11 ARG 11 HH11 ARG 11 5.760 10.449 -14.743 101 HH12 ARG 11 HH12 ARG 11 4.936 10.387 -16.257 102 HH21 ARG 11 HH21 ARG 11 7.812 10.207 -18.124 103 HH22 ARG 11 HH22 ARG 11 6.083 10.253 -18.148 104 H ASN 12 H ASN 12 10.904 13.885 -12.136 105 HA ASN 12 HA ASN 12 12.257 12.885 -9.782 106 HB2 ASN 12 HB2 ASN 12 10.986 14.727 -8.585 107 HB3 ASN 12 HB3 ASN 12 11.997 15.271 -9.917 108 HD21 ASN 12 HD21 ASN 12 10.754 17.196 -10.009 109 HD22 ASN 12 HD22 ASN 12 9.190 17.226 -10.728 110 H ARG 13 H ARG 13 11.080 12.398 -7.732 111 HA ARG 13 HA ARG 13 8.887 10.498 -8.220 112 HB2 ARG 13 HB2 ARG 13 10.647 10.944 -5.767 113 HB3 ARG 13 HB3 ARG 13 9.324 9.788 -5.826 114 HG2 ARG 13 HG2 ARG 13 11.302 8.528 -6.176 115 HG3 ARG 13 HG3 ARG 13 10.525 8.644 -7.751 116 HD2 ARG 13 HD2 ARG 13 12.941 8.932 -7.977 117 HD3 ARG 13 HD3 ARG 13 12.125 10.443 -8.382 118 HE ARG 13 HE ARG 13 12.752 11.269 -6.166 119 HH11 ARG 13 HH11 ARG 13 14.554 8.566 -7.352 120 HH12 ARG 13 HH12 ARG 13 15.907 8.898 -6.334 121 HH21 ARG 13 HH21 ARG 13 14.485 11.676 -4.897 122 HH22 ARG 13 HH22 ARG 13 15.871 10.644 -4.967 123 H THR 14 H THR 14 7.247 12.085 -8.596 124 HA THR 14 HA THR 14 6.342 13.756 -6.334 125 HB THR 14 HB THR 14 4.994 13.629 -9.075 126 HG1 THR 14 HG1 THR 14 7.119 14.115 -9.558 127 HG21 THR 14 HG21 THR 14 5.240 15.893 -7.042 128 HG22 THR 14 HG22 THR 14 3.800 14.903 -7.297 129 HG23 THR 14 HG23 THR 14 4.371 15.972 -8.579 130 H THR 15 H THR 15 6.227 10.969 -5.990 131 HA THR 15 HA THR 15 3.529 9.992 -6.547 132 HB THR 15 HB THR 15 4.436 7.827 -5.615 133 HG1 THR 15 HG1 THR 15 6.090 8.931 -4.279 134 HG21 THR 15 HG21 THR 15 6.132 9.069 -7.818 135 HG22 THR 15 HG22 THR 15 4.580 8.258 -8.053 136 HG23 THR 15 HG23 THR 15 5.981 7.342 -7.490 137 H PHE 16 H PHE 16 1.990 10.545 -5.133 138 HA PHE 16 HA PHE 16 0.713 10.651 -3.274 139 HB2 PHE 16 HB2 PHE 16 2.813 8.843 -1.999 140 HB3 PHE 16 HB3 PHE 16 1.155 9.056 -1.446 141 HD1 PHE 16 HD1 PHE 16 -0.752 8.299 -2.990 142 HD2 PHE 16 HD2 PHE 16 3.324 7.214 -3.678 143 HE1 PHE 16 HE1 PHE 16 -1.470 6.495 -4.498 144 HE2 PHE 16 HE2 PHE 16 2.588 5.409 -5.173 145 HZ PHE 16 HZ PHE 16 0.199 5.049 -5.583 146 H THR 17 H THR 17 1.148 10.839 -0.552 147 HA THR 17 HA THR 17 3.049 13.067 -0.104 148 HB THR 17 HB THR 17 0.909 14.156 -0.672 149 HG1 THR 17 HG1 THR 17 1.441 15.569 0.790 150 HG21 THR 17 HG21 THR 17 -0.664 12.360 -0.049 151 HG22 THR 17 HG22 THR 17 -1.113 13.889 0.709 152 HG23 THR 17 HG23 THR 17 -0.309 12.639 1.658 153 H SER 18 H SER 18 2.683 13.706 2.445 154 HA SER 18 HA SER 18 4.346 12.072 3.797 155 HB2 SER 18 HB2 SER 18 3.825 14.319 4.573 156 HB3 SER 18 HB3 SER 18 2.185 13.843 5.012 157 HG SER 18 HG SER 18 2.911 13.049 6.822 158 H TYR 19 H TYR 19 0.855 12.057 4.712 159 HA TYR 19 HA TYR 19 1.045 9.873 6.497 160 HB2 TYR 19 HB2 TYR 19 -0.781 11.539 6.609 161 HB3 TYR 19 HB3 TYR 19 -1.421 10.968 5.078 162 HD1 TYR 19 HD2 TYR 19 -0.859 10.004 8.644 163 HD2 TYR 19 HD1 TYR 19 -2.937 9.067 5.022 164 HE1 TYR 19 HE2 TYR 19 -2.260 8.390 9.855 165 HE2 TYR 19 HE1 TYR 19 -4.324 7.450 6.242 166 HH TYR 19 HH TYR 19 -4.085 6.058 8.339 167 H GLN 20 H GLN 20 0.078 10.018 3.077 168 HA GLN 20 HA GLN 20 -0.841 7.382 2.726 169 HB2 GLN 20 HB2 GLN 20 0.489 9.197 0.669 170 HB3 GLN 20 HB3 GLN 20 -0.431 7.737 0.297 171 HG2 GLN 20 HG2 GLN 20 -2.458 8.758 1.234 172 HG3 GLN 20 HG3 GLN 20 -1.547 10.211 1.646 173 HE21 GLN 20 HE21 GLN 20 -3.869 9.940 -0.083 174 HE22 GLN 20 HE22 GLN 20 -3.398 10.559 -1.618 175 H LEU 21 H LEU 21 2.407 8.744 2.106 176 HA LEU 21 HA LEU 21 3.669 6.409 1.202 177 HB2 LEU 21 HB2 LEU 21 4.804 8.898 2.526 178 HB3 LEU 21 HB3 LEU 21 5.824 7.610 1.897 179 HG LEU 21 HG LEU 21 3.913 9.313 0.242 180 HD11 LEU 21 HD11 LEU 21 6.946 9.341 0.344 181 HD12 LEU 21 HD12 LEU 21 5.866 10.587 0.979 182 HD13 LEU 21 HD13 LEU 21 5.935 10.286 -0.756 183 HD21 LEU 21 HD21 LEU 21 5.840 7.138 -0.667 184 HD22 LEU 21 HD22 LEU 21 4.900 8.193 -1.727 185 HD23 LEU 21 HD23 LEU 21 4.076 7.043 -0.679 186 H GLU 22 H GLU 22 3.434 7.757 4.523 187 HA GLU 22 HA GLU 22 5.064 5.847 5.830 188 HB2 GLU 22 HB2 GLU 22 2.769 7.528 6.923 189 HB3 GLU 22 HB3 GLU 22 3.846 6.566 7.935 190 HG2 GLU 22 HG2 GLU 22 4.653 8.904 6.171 191 HG3 GLU 22 HG3 GLU 22 4.514 8.918 7.931 192 H GLU 23 H GLU 23 1.505 5.897 5.413 193 HA GLU 23 HA GLU 23 0.888 3.519 6.793 194 HB2 GLU 23 HB2 GLU 23 -0.540 4.884 4.481 195 HB3 GLU 23 HB3 GLU 23 -1.222 3.531 5.380 196 HG2 GLU 23 HG2 GLU 23 -0.428 6.163 6.652 197 HG3 GLU 23 HG3 GLU 23 -2.047 5.807 6.056 198 H LEU 24 H LEU 24 1.373 4.014 3.282 199 HA LEU 24 HA LEU 24 1.176 1.369 2.379 200 HB2 LEU 24 HB2 LEU 24 2.853 3.668 1.296 201 HB3 LEU 24 HB3 LEU 24 2.526 2.187 0.411 202 HG LEU 24 HG LEU 24 0.328 4.109 1.300 203 HD11 LEU 24 HD11 LEU 24 0.265 4.971 -1.002 204 HD12 LEU 24 HD12 LEU 24 1.689 4.008 -1.409 205 HD13 LEU 24 HD13 LEU 24 1.811 5.307 -0.221 206 HD21 LEU 24 HD21 LEU 24 -1.071 2.947 -0.351 207 HD22 LEU 24 HD22 LEU 24 -0.455 1.821 0.855 208 HD23 LEU 24 HD23 LEU 24 0.270 1.868 -0.753 209 H GLU 25 H GLU 25 3.984 3.153 3.632 210 HA GLU 25 HA GLU 25 6.074 1.391 3.050 211 HB2 GLU 25 HB2 GLU 25 6.044 3.872 3.828 212 HB3 GLU 25 HB3 GLU 25 5.968 3.247 5.465 213 HG2 GLU 25 HG2 GLU 25 8.180 2.496 3.548 214 HG3 GLU 25 HG3 GLU 25 8.228 3.978 4.490 215 H LYS 26 H LYS 26 4.328 1.819 6.131 216 HA LYS 26 HA LYS 26 5.582 -0.285 7.538 217 HB2 LYS 26 HB2 LYS 26 3.083 1.347 8.033 218 HB3 LYS 26 HB3 LYS 26 3.399 -0.055 9.043 219 HG2 LYS 26 HG2 LYS 26 4.186 1.996 10.126 220 HG3 LYS 26 HG3 LYS 26 5.528 0.901 9.784 221 HD2 LYS 26 HD2 LYS 26 6.128 2.279 7.800 222 HD3 LYS 26 HD3 LYS 26 4.786 3.370 8.154 223 HE2 LYS 26 HE2 LYS 26 5.850 4.000 10.284 224 HE3 LYS 26 HE3 LYS 26 7.169 2.871 9.971 225 HZ1 LYS 26 HZ1 LYS 26 7.679 4.167 7.956 226 HZ2 LYS 26 HZ2 LYS 26 7.851 5.064 9.381 227 HZ3 LYS 26 HZ3 LYS 26 6.501 5.299 8.399 228 H VAL 27 H VAL 27 2.541 -0.259 5.631 229 HA VAL 27 HA VAL 27 1.756 -2.931 6.290 230 HB VAL 27 HB VAL 27 0.936 -1.258 3.871 231 HG11 VAL 27 HG11 VAL 27 -1.025 -2.791 3.671 232 HG12 VAL 27 HG12 VAL 27 -0.358 -3.808 4.950 233 HG13 VAL 27 HG13 VAL 27 0.496 -3.652 3.414 234 HG21 VAL 27 HG21 VAL 27 -1.119 -0.779 5.169 235 HG22 VAL 27 HG22 VAL 27 0.320 -0.207 6.013 236 HG23 VAL 27 HG23 VAL 27 -0.472 -1.696 6.533 237 H PHE 28 H PHE 28 3.908 -1.636 3.783 238 HA PHE 28 HA PHE 28 4.231 -4.045 2.276 239 HB2 PHE 28 HB2 PHE 28 4.857 -1.795 1.422 240 HB3 PHE 28 HB3 PHE 28 6.154 -1.701 2.603 241 HD1 PHE 28 HD1 PHE 28 4.960 -3.751 -0.314 242 HD2 PHE 28 HD2 PHE 28 8.330 -2.485 2.016 243 HE1 PHE 28 HE1 PHE 28 6.488 -4.803 -1.942 244 HE2 PHE 28 HE2 PHE 28 9.839 -3.539 0.383 245 HZ PHE 28 HZ PHE 28 8.927 -4.674 -1.595 246 H GLN 29 H GLN 29 5.798 -2.770 5.181 247 HA GLN 29 HA GLN 29 7.813 -4.818 5.404 248 HB2 GLN 29 HB2 GLN 29 6.774 -3.024 7.635 249 HB3 GLN 29 HB3 GLN 29 8.316 -3.875 7.590 250 HG2 GLN 29 HG2 GLN 29 7.474 -1.529 5.872 251 HG3 GLN 29 HG3 GLN 29 8.664 -1.514 7.167 252 HE21 GLN 29 HE21 GLN 29 8.882 -0.800 4.306 253 HE22 GLN 29 HE22 GLN 29 10.182 -1.755 3.687 254 H LYS 30 H LYS 30 4.519 -4.416 6.625 255 HA LYS 30 HA LYS 30 4.417 -6.686 8.360 256 HB2 LYS 30 HB2 LYS 30 2.179 -5.296 6.813 257 HB3 LYS 30 HB3 LYS 30 1.921 -6.479 8.093 258 HG2 LYS 30 HG2 LYS 30 2.828 -4.982 9.758 259 HG3 LYS 30 HG3 LYS 30 3.354 -3.838 8.519 260 HD2 LYS 30 HD2 LYS 30 0.937 -3.492 7.893 261 HD3 LYS 30 HD3 LYS 30 0.476 -4.537 9.240 262 HE2 LYS 30 HE2 LYS 30 1.993 -1.912 9.481 263 HE3 LYS 30 HE3 LYS 30 0.276 -2.140 9.812 264 HZ1 LYS 30 HZ1 LYS 30 1.585 -2.156 11.835 265 HZ2 LYS 30 HZ2 LYS 30 2.501 -3.455 11.268 266 HZ3 LYS 30 HZ3 LYS 30 0.854 -3.664 11.592 267 H THR 31 H THR 31 3.229 -6.209 5.029 268 HA THR 31 HA THR 31 3.730 -9.005 4.319 269 HB THR 31 HB THR 31 1.407 -9.074 5.069 270 HG1 THR 31 HG1 THR 31 0.443 -9.713 2.997 271 HG21 THR 31 HG21 THR 31 -0.389 -7.761 4.006 272 HG22 THR 31 HG22 THR 31 0.800 -6.899 3.029 273 HG23 THR 31 HG23 THR 31 0.782 -6.688 4.782 274 H HIS 32 H HIS 32 4.514 -9.195 2.302 275 HA HIS 32 HA HIS 32 4.759 -6.903 0.525 276 HB2 HIS 32 HB2 HIS 32 5.743 -9.776 0.250 277 HB3 HIS 32 HB3 HIS 32 6.107 -8.479 -0.891 278 HD1 HIS 32 HD1 HIS 32 6.765 -9.499 2.700 279 HD2 HIS 32 HD2 HIS 32 8.192 -6.826 -0.137 280 HE1 HIS 32 HE1 HIS 32 8.800 -8.455 3.726 281 HE2 HIS 32 HE2 HIS 32 9.539 -6.731 2.060 282 H TYR 33 H TYR 33 2.529 -9.440 0.978 283 HA TYR 33 HA TYR 33 1.125 -8.782 -1.549 284 HB2 TYR 33 HB2 TYR 33 1.313 -11.490 -0.157 285 HB3 TYR 33 HB3 TYR 33 0.113 -11.130 -1.390 286 HD1 TYR 33 HD1 TYR 33 3.772 -11.580 -0.797 287 HD2 TYR 33 HD2 TYR 33 0.697 -11.130 -3.744 288 HE1 TYR 33 HE1 TYR 33 5.342 -12.281 -2.559 289 HE2 TYR 33 HE2 TYR 33 2.268 -11.832 -5.493 290 HH TYR 33 HH TYR 33 5.239 -13.299 -4.816 291 HA PRO 34 HA PRO 34 -1.679 -7.617 2.028 292 HB2 PRO 34 HB2 PRO 34 -2.737 -5.363 0.865 293 HB3 PRO 34 HB3 PRO 34 -1.203 -5.350 1.750 294 HG2 PRO 34 HG2 PRO 34 -1.665 -5.511 -1.233 295 HG3 PRO 34 HG3 PRO 34 -0.509 -4.496 -0.339 296 HD2 PRO 34 HD2 PRO 34 0.255 -6.816 -1.543 297 HD3 PRO 34 HD3 PRO 34 0.998 -6.262 -0.025 298 H ASP 35 H ASP 35 -3.549 -8.750 2.124 299 HA ASP 35 HA ASP 35 -4.994 -9.833 -0.053 300 HB2 ASP 35 HB2 ASP 35 -5.863 -9.354 2.829 301 HB3 ASP 35 HB3 ASP 35 -6.720 -10.384 1.678 302 H VAL 36 H VAL 36 -7.332 -9.439 -0.531 303 HA VAL 36 HA VAL 36 -7.903 -6.941 -1.540 304 HB VAL 36 HB VAL 36 -9.198 -8.806 -2.317 305 HG11 VAL 36 HG11 VAL 36 -9.217 -10.192 -0.298 306 HG12 VAL 36 HG12 VAL 36 -10.849 -10.041 -0.956 307 HG13 VAL 36 HG13 VAL 36 -10.379 -9.101 0.467 308 HG21 VAL 36 HG21 VAL 36 -11.135 -6.946 -0.873 309 HG22 VAL 36 HG22 VAL 36 -11.526 -7.978 -2.250 310 HG23 VAL 36 HG23 VAL 36 -10.394 -6.640 -2.446 311 H TYR 37 H TYR 37 -8.959 -8.195 1.634 312 HA TYR 37 HA TYR 37 -10.506 -5.966 2.436 313 HB2 TYR 37 HB2 TYR 37 -10.547 -8.350 3.394 314 HB3 TYR 37 HB3 TYR 37 -9.106 -7.920 4.309 315 HD1 TYR 37 HD2 TYR 37 -12.693 -7.084 3.792 316 HD2 TYR 37 HD1 TYR 37 -9.313 -6.649 6.383 317 HE1 TYR 37 HE2 TYR 37 -14.142 -6.134 5.536 318 HE2 TYR 37 HE1 TYR 37 -10.770 -5.697 8.122 319 HH TYR 37 HH TYR 37 -14.159 -5.863 7.958 320 H ALA 38 H ALA 38 -7.094 -6.837 3.019 321 HA ALA 38 HA ALA 38 -6.324 -4.679 4.671 322 HB1 ALA 38 HB1 ALA 38 -4.601 -6.261 2.733 323 HB2 ALA 38 HB2 ALA 38 -4.960 -6.717 4.399 324 HB3 ALA 38 HB3 ALA 38 -4.012 -5.266 4.072 325 H ARG 39 H ARG 39 -6.444 -4.974 1.126 326 HA ARG 39 HA ARG 39 -5.128 -2.527 0.454 327 HB2 ARG 39 HB2 ARG 39 -7.186 -4.093 -1.161 328 HB3 ARG 39 HB3 ARG 39 -6.153 -2.812 -1.797 329 HG2 ARG 39 HG2 ARG 39 -4.162 -4.192 -1.413 330 HG3 ARG 39 HG3 ARG 39 -5.157 -5.456 -0.684 331 HD2 ARG 39 HD2 ARG 39 -6.413 -5.598 -2.882 332 HD3 ARG 39 HD3 ARG 39 -5.192 -4.525 -3.572 333 HE ARG 39 HE ARG 39 -3.785 -6.621 -2.475 334 HH11 ARG 39 HH11 ARG 39 -6.225 -6.316 -4.908 335 HH12 ARG 39 HH12 ARG 39 -5.722 -7.750 -5.732 336 HH21 ARG 39 HH21 ARG 39 -3.161 -8.447 -3.555 337 HH22 ARG 39 HH22 ARG 39 -4.007 -8.933 -4.982 338 H GLU 40 H GLU 40 -8.523 -3.393 1.044 339 HA GLU 40 HA GLU 40 -9.722 -0.926 0.277 340 HB2 GLU 40 HB2 GLU 40 -10.719 -3.109 2.161 341 HB3 GLU 40 HB3 GLU 40 -11.709 -1.777 1.567 342 HG2 GLU 40 HG2 GLU 40 -10.405 -3.891 -0.176 343 HG3 GLU 40 HG3 GLU 40 -12.088 -3.904 0.348 344 H GLN 41 H GLN 41 -8.951 -2.233 3.526 345 HA GLN 41 HA GLN 41 -9.659 -0.025 5.105 346 HB2 GLN 41 HB2 GLN 41 -7.516 -2.143 5.563 347 HB3 GLN 41 HB3 GLN 41 -8.067 -1.021 6.806 348 HG2 GLN 41 HG2 GLN 41 -9.916 -2.971 5.393 349 HG3 GLN 41 HG3 GLN 41 -9.061 -3.357 6.883 350 HE21 GLN 41 HE21 GLN 41 -11.610 -1.383 5.475 351 HE22 GLN 41 HE22 GLN 41 -12.349 -0.946 6.973 352 H LEU 42 H LEU 42 -6.501 -0.840 3.659 353 HA LEU 42 HA LEU 42 -5.009 1.383 4.550 354 HB2 LEU 42 HB2 LEU 42 -4.014 -0.688 3.661 355 HB3 LEU 42 HB3 LEU 42 -4.659 -0.341 2.070 356 HG LEU 42 HG LEU 42 -3.128 1.573 1.821 357 HD11 LEU 42 HD11 LEU 42 -2.093 0.899 4.594 358 HD12 LEU 42 HD12 LEU 42 -3.000 2.344 4.138 359 HD13 LEU 42 HD13 LEU 42 -1.388 2.077 3.483 360 HD21 LEU 42 HD21 LEU 42 -1.657 -0.929 2.722 361 HD22 LEU 42 HD22 LEU 42 -1.015 0.339 1.674 362 HD23 LEU 42 HD23 LEU 42 -2.356 -0.661 1.122 363 H ALA 43 H ALA 43 -6.956 0.907 1.606 364 HA ALA 43 HA ALA 43 -6.338 3.339 0.272 365 HB1 ALA 43 HB1 ALA 43 -7.361 1.408 -0.867 366 HB2 ALA 43 HB2 ALA 43 -8.328 2.864 -1.100 367 HB3 ALA 43 HB3 ALA 43 -8.846 1.633 0.058 368 H MET 44 H MET 44 -8.889 2.494 2.620 369 HA MET 44 HA MET 44 -10.252 5.024 2.496 370 HB2 MET 44 HB2 MET 44 -10.383 2.782 4.546 371 HB3 MET 44 HB3 MET 44 -11.423 4.204 4.576 372 HG2 MET 44 HG2 MET 44 -11.332 2.100 2.395 373 HG3 MET 44 HG3 MET 44 -12.598 2.306 3.599 374 HE1 MET 44 HE1 MET 44 -12.212 4.574 -0.370 375 HE2 MET 44 HE2 MET 44 -11.725 2.919 -0.018 376 HE3 MET 44 HE3 MET 44 -10.761 4.265 0.586 377 H ARG 45 H ARG 45 -7.659 3.734 4.544 378 HA ARG 45 HA ARG 45 -7.421 5.865 6.394 379 HB2 ARG 45 HB2 ARG 45 -5.361 3.942 5.240 380 HB3 ARG 45 HB3 ARG 45 -4.944 5.123 6.475 381 HG2 ARG 45 HG2 ARG 45 -7.130 3.065 6.903 382 HG3 ARG 45 HG3 ARG 45 -5.434 2.720 7.239 383 HD2 ARG 45 HD2 ARG 45 -6.506 3.367 9.308 384 HD3 ARG 45 HD3 ARG 45 -5.397 4.655 8.830 385 HE ARG 45 HE ARG 45 -8.201 4.965 8.068 386 HH11 ARG 45 HH11 ARG 45 -5.685 5.933 10.221 387 HH12 ARG 45 HH12 ARG 45 -6.608 7.239 10.857 388 HH21 ARG 45 HH21 ARG 45 -9.327 6.652 8.880 389 HH22 ARG 45 HH22 ARG 45 -8.623 7.649 10.106 390 H THR 46 H THR 46 -5.888 5.339 3.240 391 HA THR 46 HA THR 46 -4.396 7.860 3.352 392 HB THR 46 HB THR 46 -3.265 6.980 1.306 393 HG1 THR 46 HG1 THR 46 -4.298 4.443 1.463 394 HG21 THR 46 HG21 THR 46 -3.413 4.920 3.544 395 HG22 THR 46 HG22 THR 46 -2.368 6.343 3.526 396 HG23 THR 46 HG23 THR 46 -2.126 5.059 2.341 397 H ASP 47 H ASP 47 -7.450 7.063 2.297 398 HA ASP 47 HA ASP 47 -8.992 7.793 0.809 399 HB2 ASP 47 HB2 ASP 47 -7.243 10.286 0.713 400 HB3 ASP 47 HB3 ASP 47 -8.893 10.195 0.101 401 H LEU 48 H LEU 48 -6.890 6.170 -0.248 402 HA LEU 48 HA LEU 48 -6.572 7.077 -3.046 403 HB2 LEU 48 HB2 LEU 48 -5.154 4.891 -1.465 404 HB3 LEU 48 HB3 LEU 48 -4.886 5.197 -3.177 405 HG LEU 48 HG LEU 48 -4.296 7.189 -0.947 406 HD11 LEU 48 HD11 LEU 48 -2.774 5.278 -0.827 407 HD12 LEU 48 HD12 LEU 48 -1.920 6.721 -1.369 408 HD13 LEU 48 HD13 LEU 48 -2.358 5.467 -2.536 409 HD21 LEU 48 HD21 LEU 48 -4.867 8.312 -3.054 410 HD22 LEU 48 HD22 LEU 48 -3.668 7.347 -3.920 411 HD23 LEU 48 HD23 LEU 48 -3.152 8.506 -2.692 412 H THR 49 H THR 49 -6.546 5.184 -4.642 413 HA THR 49 HA THR 49 -8.771 3.271 -4.197 414 HB THR 49 HB THR 49 -8.729 2.931 -6.674 415 HG1 THR 49 HG1 THR 49 -7.394 4.699 -7.787 416 HG21 THR 49 HG21 THR 49 -10.228 4.685 -5.792 417 HG22 THR 49 HG22 THR 49 -9.586 5.147 -7.368 418 HG23 THR 49 HG23 THR 49 -8.924 5.874 -5.902 419 H GLU 50 H GLU 50 -8.429 1.035 -4.997 420 HA GLU 50 HA GLU 50 -6.147 -0.244 -4.034 421 HB2 GLU 50 HB2 GLU 50 -8.319 -1.410 -4.475 422 HB3 GLU 50 HB3 GLU 50 -8.018 -1.290 -6.208 423 HG2 GLU 50 HG2 GLU 50 -5.832 -2.605 -5.724 424 HG3 GLU 50 HG3 GLU 50 -6.545 -2.958 -4.151 425 H ALA 51 H ALA 51 -6.817 0.990 -7.280 426 HA ALA 51 HA ALA 51 -4.775 -0.089 -8.824 427 HB1 ALA 51 HB1 ALA 51 -5.016 1.911 -10.254 428 HB2 ALA 51 HB2 ALA 51 -5.903 2.728 -8.962 429 HB3 ALA 51 HB3 ALA 51 -6.589 1.298 -9.735 430 H ARG 52 H ARG 52 -4.653 3.080 -7.131 431 HA ARG 52 HA ARG 52 -1.909 3.612 -7.569 432 HB2 ARG 52 HB2 ARG 52 -3.908 4.721 -5.568 433 HB3 ARG 52 HB3 ARG 52 -2.245 5.291 -5.622 434 HG2 ARG 52 HG2 ARG 52 -2.598 5.924 -8.033 435 HG3 ARG 52 HG3 ARG 52 -4.302 5.496 -7.848 436 HD2 ARG 52 HD2 ARG 52 -4.590 7.225 -6.150 437 HD3 ARG 52 HD3 ARG 52 -2.864 7.595 -6.184 438 HE ARG 52 HE ARG 52 -3.464 8.095 -8.700 439 HH11 ARG 52 HH11 ARG 52 -5.355 8.995 -5.941 440 HH12 ARG 52 HH12 ARG 52 -5.918 10.447 -6.687 441 HH21 ARG 52 HH21 ARG 52 -4.184 9.960 -9.606 442 HH22 ARG 52 HH22 ARG 52 -5.255 10.993 -8.722 443 H VAL 53 H VAL 53 -3.533 2.032 -4.829 444 HA VAL 53 HA VAL 53 -1.360 1.784 -3.052 445 HB VAL 53 HB VAL 53 -3.799 -0.023 -3.408 446 HG11 VAL 53 HG11 VAL 53 -2.048 -1.310 -2.244 447 HG12 VAL 53 HG12 VAL 53 -3.339 -0.893 -1.116 448 HG13 VAL 53 HG13 VAL 53 -1.819 0.005 -1.087 449 HG21 VAL 53 HG21 VAL 53 -3.260 2.214 -1.402 450 HG22 VAL 53 HG22 VAL 53 -4.712 1.208 -1.447 451 HG23 VAL 53 HG23 VAL 53 -4.356 2.306 -2.783 452 H GLN 54 H GLN 54 -2.510 -0.496 -5.571 453 HA GLN 54 HA GLN 54 -0.563 -2.510 -5.154 454 HB2 GLN 54 HB2 GLN 54 -2.265 -1.905 -7.601 455 HB3 GLN 54 HB3 GLN 54 -1.219 -3.319 -7.472 456 HG2 GLN 54 HG2 GLN 54 -2.512 -4.099 -5.514 457 HG3 GLN 54 HG3 GLN 54 -3.562 -2.689 -5.642 458 HE21 GLN 54 HE21 GLN 54 -4.936 -2.526 -7.499 459 HE22 GLN 54 HE22 GLN 54 -5.414 -3.940 -8.362 460 H VAL 55 H VAL 55 -0.603 0.298 -7.402 461 HA VAL 55 HA VAL 55 1.716 -0.249 -8.889 462 HB VAL 55 HB VAL 55 0.651 2.484 -8.037 463 HG11 VAL 55 HG11 VAL 55 2.700 1.851 -10.210 464 HG12 VAL 55 HG12 VAL 55 3.016 2.724 -8.709 465 HG13 VAL 55 HG13 VAL 55 1.966 3.434 -9.938 466 HG21 VAL 55 HG21 VAL 55 -0.398 2.571 -10.261 467 HG22 VAL 55 HG22 VAL 55 -0.955 1.149 -9.378 468 HG23 VAL 55 HG23 VAL 55 0.254 0.976 -10.649 469 H TRP 56 H TRP 56 1.400 1.399 -5.745 470 HA TRP 56 HA TRP 56 4.096 2.182 -5.410 471 HB2 TRP 56 HB2 TRP 56 2.062 3.040 -4.112 472 HB3 TRP 56 HB3 TRP 56 2.146 1.568 -3.152 473 HD1 TRP 56 HD1 TRP 56 3.854 4.929 -3.653 474 HE1 TRP 56 HE1 TRP 56 5.521 5.337 -1.750 475 HE3 TRP 56 HE3 TRP 56 3.814 0.283 -1.494 476 HZ2 TRP 56 HZ2 TRP 56 6.681 3.931 0.364 477 HZ3 TRP 56 HZ3 TRP 56 5.257 -0.107 0.460 478 HH2 TRP 56 HH2 TRP 56 6.663 1.679 1.369 479 H PHE 57 H PHE 57 2.310 -0.637 -4.114 480 HA PHE 57 HA PHE 57 4.468 -1.868 -2.756 481 HB2 PHE 57 HB2 PHE 57 1.764 -2.869 -3.695 482 HB3 PHE 57 HB3 PHE 57 2.927 -4.000 -3.009 483 HD1 PHE 57 HD2 PHE 57 1.421 -0.641 -2.189 484 HD2 PHE 57 HD1 PHE 57 2.783 -4.416 -0.714 485 HE1 PHE 57 HE2 PHE 57 0.713 -0.023 0.078 486 HE2 PHE 57 HE1 PHE 57 2.068 -3.779 1.549 487 HZ PHE 57 HZ PHE 57 1.037 -1.584 1.943 488 H GLN 58 H GLN 58 3.253 -2.333 -6.073 489 HA GLN 58 HA GLN 58 4.974 -4.488 -6.807 490 HB2 GLN 58 HB2 GLN 58 3.413 -2.470 -8.457 491 HB3 GLN 58 HB3 GLN 58 4.366 -3.750 -9.202 492 HG2 GLN 58 HG2 GLN 58 2.971 -5.453 -8.130 493 HG3 GLN 58 HG3 GLN 58 2.062 -4.207 -7.278 494 HE21 GLN 58 HE21 GLN 58 2.669 -5.652 -10.418 495 HE22 GLN 58 HE22 GLN 58 1.263 -5.022 -11.195 496 H ASN 59 H ASN 59 5.336 -0.980 -6.887 497 HA ASN 59 HA ASN 59 7.724 -0.913 -8.479 498 HB2 ASN 59 HB2 ASN 59 5.997 1.018 -7.954 499 HB3 ASN 59 HB3 ASN 59 6.970 1.283 -6.510 500 HD21 ASN 59 HD21 ASN 59 6.850 1.519 -9.976 501 HD22 ASN 59 HD22 ASN 59 8.278 2.465 -10.166 502 H ARG 60 H ARG 60 7.100 -0.741 -4.956 503 HA ARG 60 HA ARG 60 9.808 -0.832 -4.060 504 HB2 ARG 60 HB2 ARG 60 7.120 -1.224 -2.803 505 HB3 ARG 60 HB3 ARG 60 8.459 -1.970 -1.963 506 HG2 ARG 60 HG2 ARG 60 8.135 0.105 -0.935 507 HG3 ARG 60 HG3 ARG 60 9.590 0.271 -1.916 508 HD2 ARG 60 HD2 ARG 60 6.898 1.140 -2.976 509 HD3 ARG 60 HD3 ARG 60 7.814 2.183 -1.895 510 HE ARG 60 HE ARG 60 9.545 1.537 -3.936 511 HH11 ARG 60 HH11 ARG 60 6.399 2.968 -3.826 512 HH12 ARG 60 HH12 ARG 60 6.784 4.147 -5.028 513 HH21 ARG 60 HH21 ARG 60 10.003 3.090 -5.442 514 HH22 ARG 60 HH22 ARG 60 8.774 4.196 -5.942 515 H ARG 61 H ARG 61 7.553 -3.327 -5.045 516 HA ARG 61 HA ARG 61 9.048 -5.573 -4.077 517 HB2 ARG 61 HB2 ARG 61 6.509 -5.419 -4.745 518 HB3 ARG 61 HB3 ARG 61 7.064 -5.712 -6.385 519 HG2 ARG 61 HG2 ARG 61 7.747 -7.585 -4.105 520 HG3 ARG 61 HG3 ARG 61 6.225 -7.715 -4.976 521 HD2 ARG 61 HD2 ARG 61 7.389 -8.208 -7.051 522 HD3 ARG 61 HD3 ARG 61 8.950 -7.864 -6.309 523 HE ARG 61 HE ARG 61 8.873 -9.891 -5.161 524 HH11 ARG 61 HH11 ARG 61 5.972 -9.517 -7.019 525 HH12 ARG 61 HH12 ARG 61 5.583 -11.196 -6.920 526 HH21 ARG 61 HH21 ARG 61 8.330 -12.017 -5.059 527 HH22 ARG 61 HH22 ARG 61 6.890 -12.584 -5.828 528 H ALA 62 H ALA 62 8.932 -3.729 -7.103 529 HA ALA 62 HA ALA 62 10.823 -5.269 -8.602 530 HB1 ALA 62 HB1 ALA 62 10.899 -3.316 -10.098 531 HB2 ALA 62 HB2 ALA 62 10.056 -2.341 -8.889 532 HB3 ALA 62 HB3 ALA 62 9.233 -3.700 -9.658 533 H LYS 63 H LYS 63 11.133 -2.612 -6.288 534 HA LYS 63 HA LYS 63 13.906 -2.069 -6.472 535 HB2 LYS 63 HB2 LYS 63 12.440 -0.599 -5.196 536 HB3 LYS 63 HB3 LYS 63 11.958 -1.918 -4.138 537 HG2 LYS 63 HG2 LYS 63 14.329 -2.004 -3.280 538 HG3 LYS 63 HG3 LYS 63 14.669 -0.558 -4.239 539 HD2 LYS 63 HD2 LYS 63 13.001 0.713 -2.958 540 HD3 LYS 63 HD3 LYS 63 12.554 -0.739 -2.055 541 HE2 LYS 63 HE2 LYS 63 14.880 -0.824 -1.135 542 HE3 LYS 63 HE3 LYS 63 15.237 0.690 -1.971 543 HZ1 LYS 63 HZ1 LYS 63 13.194 0.283 0.132 544 HZ2 LYS 63 HZ2 LYS 63 13.464 1.734 -0.692 545 HZ3 LYS 63 HZ3 LYS 63 14.666 1.094 0.305 546 H TRP 64 H TRP 64 12.115 -4.292 -4.315 547 HA TRP 64 HA TRP 64 14.304 -5.607 -3.095 548 HB2 TRP 64 HB2 TRP 64 11.792 -5.600 -2.415 549 HB3 TRP 64 HB3 TRP 64 11.566 -6.864 -3.614 550 HD1 TRP 64 HD1 TRP 64 12.727 -6.285 -0.068 551 HE1 TRP 64 HE1 TRP 64 13.355 -8.517 1.030 552 HE3 TRP 64 HE3 TRP 64 12.682 -9.325 -4.212 553 HZ2 TRP 64 HZ2 TRP 64 13.784 -11.190 0.284 554 HZ3 TRP 64 HZ3 TRP 64 13.217 -11.710 -3.922 555 HH2 TRP 64 HH2 TRP 64 13.757 -12.623 -1.718 556 H ARG 65 H ARG 65 12.538 -6.191 -6.077 557 HA ARG 65 HA ARG 65 14.093 -8.582 -6.789 558 HB2 ARG 65 HB2 ARG 65 11.558 -7.318 -7.879 559 HB3 ARG 65 HB3 ARG 65 12.438 -8.506 -8.830 560 HG2 ARG 65 HG2 ARG 65 11.337 -9.018 -6.046 561 HG3 ARG 65 HG3 ARG 65 10.524 -9.458 -7.553 562 HD2 ARG 65 HD2 ARG 65 13.176 -10.537 -6.518 563 HD3 ARG 65 HD3 ARG 65 11.657 -11.423 -6.701 564 HE ARG 65 HE ARG 65 12.879 -10.269 -9.108 565 HH11 ARG 65 HH11 ARG 65 12.194 -13.152 -7.343 566 HH12 ARG 65 HH12 ARG 65 12.651 -14.169 -8.665 567 HH21 ARG 65 HH21 ARG 65 13.447 -11.577 -10.751 568 HH22 ARG 65 HH22 ARG 65 13.345 -13.293 -10.559 569 H LYS 66 H LYS 66 15.707 -6.362 -6.708 570 HA LYS 66 HA LYS 66 17.580 -5.761 -7.837 571 HB2 LYS 66 HB2 LYS 66 17.547 -7.940 -8.896 572 HB3 LYS 66 HB3 LYS 66 16.337 -7.416 -10.052 573 HG2 LYS 66 HG2 LYS 66 18.039 -5.854 -11.046 574 HG3 LYS 66 HG3 LYS 66 19.245 -6.549 -9.956 575 HD2 LYS 66 HD2 LYS 66 19.348 -7.597 -12.202 576 HD3 LYS 66 HD3 LYS 66 18.900 -8.775 -10.964 577 HE2 LYS 66 HE2 LYS 66 16.489 -8.490 -11.632 578 HE3 LYS 66 HE3 LYS 66 17.007 -7.406 -12.926 579 HZ1 LYS 66 HZ1 LYS 66 18.191 -9.196 -13.929 580 HZ2 LYS 66 HZ2 LYS 66 16.600 -9.675 -13.655 581 HZ3 LYS 66 HZ3 LYS 66 17.833 -10.233 -12.645 582 H ARG 67 H ARG 67 17.873 -3.672 -8.275 583 HA ARG 67 HA ARG 67 16.007 -1.956 -9.576 584 HB2 ARG 67 HB2 ARG 67 18.878 -1.597 -8.654 585 HB3 ARG 67 HB3 ARG 67 18.042 -0.305 -9.503 586 HG2 ARG 67 HG2 ARG 67 17.120 -1.538 -6.881 587 HG3 ARG 67 HG3 ARG 67 18.013 -0.019 -7.044 588 HD2 ARG 67 HD2 ARG 67 16.119 0.817 -8.517 589 HD3 ARG 67 HD3 ARG 67 15.215 -0.633 -8.059 590 HE ARG 67 HE ARG 67 16.101 0.732 -5.742 591 HH11 ARG 67 HH11 ARG 67 13.728 1.030 -8.255 592 HH12 ARG 67 HH12 ARG 67 12.681 1.994 -7.278 593 HH21 ARG 67 HH21 ARG 67 14.738 1.953 -4.540 594 HH22 ARG 67 HH22 ARG 67 13.234 2.490 -5.200 595 H GLU 68 H GLU 68 19.382 -2.615 -10.592 596 HA GLU 68 HA GLU 68 18.889 -1.701 -13.295 597 HB2 GLU 68 HB2 GLU 68 21.413 -3.028 -12.199 598 HB3 GLU 68 HB3 GLU 68 21.272 -2.051 -13.659 599 HG2 GLU 68 HG2 GLU 68 21.082 -1.106 -10.781 600 HG3 GLU 68 HG3 GLU 68 22.366 -0.759 -11.938 601 H ARG 69 H ARG 69 18.020 -3.008 -14.814 602 HA ARG 69 HA ARG 69 17.716 -5.853 -14.424 603 HB2 ARG 69 HB2 ARG 69 16.911 -4.088 -16.776 604 HB3 ARG 69 HB3 ARG 69 16.402 -5.761 -16.538 605 HG2 ARG 69 HG2 ARG 69 15.261 -5.076 -14.418 606 HG3 ARG 69 HG3 ARG 69 15.707 -3.397 -14.749 607 HD2 ARG 69 HD2 ARG 69 13.933 -5.159 -16.484 608 HD3 ARG 69 HD3 ARG 69 13.382 -3.860 -15.422 609 HE ARG 69 HE ARG 69 15.096 -2.574 -17.065 610 HH11 ARG 69 HH11 ARG 69 12.463 -4.694 -17.816 611 HH12 ARG 69 HH12 ARG 69 12.097 -3.871 -19.287 612 HH21 ARG 69 HH21 ARG 69 14.586 -1.564 -18.960 613 HH22 ARG 69 HH22 ARG 69 13.272 -2.138 -19.922 614 H PHE 70 H PHE 70 20.462 -4.459 -15.269 615 HA PHE 70 HA PHE 70 21.225 -5.704 -17.720 616 HB2 PHE 70 HB2 PHE 70 22.296 -3.624 -16.743 617 HB3 PHE 70 HB3 PHE 70 23.060 -4.641 -15.526 618 HD1 PHE 70 HD2 PHE 70 22.810 -4.079 -19.213 619 HD2 PHE 70 HD1 PHE 70 25.133 -5.774 -16.038 620 HE1 PHE 70 HE2 PHE 70 24.629 -4.564 -20.793 621 HE2 PHE 70 HE1 PHE 70 26.945 -6.259 -17.635 622 HZ PHE 70 HZ PHE 70 26.692 -5.655 -20.008 623 H GLY 71 H GLY 71 22.407 -7.559 -18.083 624 HA2 GLY 71 HA2 GLY 71 23.915 -9.308 -16.979 625 HA3 GLY 71 HA3 GLY 71 22.549 -9.572 -15.898 626 H GLN 72 H GLN 72 20.795 -10.787 -16.610 627 HA GLN 72 HA GLN 72 20.980 -12.469 -18.883 628 HB2 GLN 72 HB2 GLN 72 19.611 -13.021 -16.877 629 HB3 GLN 72 HB3 GLN 72 18.502 -11.708 -17.265 630 HG2 GLN 72 HG2 GLN 72 17.877 -12.860 -19.361 631 HG3 GLN 72 HG3 GLN 72 18.986 -14.175 -18.975 632 HE21 GLN 72 HE21 GLN 72 18.396 -15.664 -17.350 633 HE22 GLN 72 HE22 GLN 72 16.788 -15.750 -16.729 634 H MET 73 H MET 73 19.204 -9.419 -18.329 635 HA MET 73 HA MET 73 18.566 -9.109 -21.180 636 HB2 MET 73 HB2 MET 73 16.892 -8.422 -19.477 637 HB3 MET 73 HB3 MET 73 18.034 -7.271 -18.806 638 HG2 MET 73 HG2 MET 73 17.994 -6.010 -20.941 639 HG3 MET 73 HG3 MET 73 16.799 -7.152 -21.566 640 HE1 MET 73 HE1 MET 73 14.613 -3.938 -20.967 641 HE2 MET 73 HE2 MET 73 15.056 -5.193 -22.124 642 HE3 MET 73 HE3 MET 73 16.263 -4.021 -21.588 643 H GLN 74 H GLN 74 19.952 -8.101 -22.563 644 HA GLN 74 HA GLN 74 21.915 -6.113 -21.548 645 HB2 GLN 74 HB2 GLN 74 22.814 -8.490 -22.257 646 HB3 GLN 74 HB3 GLN 74 22.521 -7.952 -23.899 647 HG2 GLN 74 HG2 GLN 74 24.432 -6.696 -21.901 648 HG3 GLN 74 HG3 GLN 74 24.872 -7.690 -23.286 649 HE21 GLN 74 HE21 GLN 74 24.610 -6.776 -25.411 650 HE22 GLN 74 HE22 GLN 74 24.581 -5.064 -25.631 651 H GLN 75 H GLN 75 20.687 -4.334 -22.142 652 HA GLN 75 HA GLN 75 19.431 -4.153 -24.773 653 HB2 GLN 75 HB2 GLN 75 18.479 -1.980 -23.849 654 HB3 GLN 75 HB3 GLN 75 18.031 -3.447 -22.988 655 HG2 GLN 75 HG2 GLN 75 19.770 -2.912 -21.272 656 HG3 GLN 75 HG3 GLN 75 20.076 -1.392 -22.112 657 HE21 GLN 75 HE21 GLN 75 17.845 -3.164 -20.119 658 HE22 GLN 75 HE22 GLN 75 16.841 -1.821 -19.711 Start of MODEL 16 1 H1 SER 1 H1 SER 1 34.099 5.511 -23.481 2 H2 SER 1 H2 SER 1 33.370 4.263 -24.355 3 H3 SER 1 H3 SER 1 32.765 4.690 -22.832 4 HA SER 1 HA SER 1 32.127 6.855 -23.653 5 HB2 SER 1 HB2 SER 1 33.826 7.092 -25.425 6 HB3 SER 1 HB3 SER 1 33.074 5.793 -26.347 7 HG SER 1 HG SER 1 32.549 8.092 -26.891 8 H HIS 2 H HIS 2 31.737 3.803 -25.538 9 HA HIS 2 HA HIS 2 28.975 4.281 -26.175 10 HB2 HIS 2 HB2 HIS 2 30.598 2.890 -27.569 11 HB3 HIS 2 HB3 HIS 2 30.462 1.622 -26.363 12 HD1 HIS 2 HD1 HIS 2 29.659 1.291 -29.373 13 HD2 HIS 2 HD2 HIS 2 26.986 2.080 -26.289 14 HE1 HIS 2 HE1 HIS 2 27.425 0.514 -30.209 15 HE2 HIS 2 HE2 HIS 2 25.863 0.857 -28.274 16 H MET 3 H MET 3 27.969 4.639 -24.166 17 HA MET 3 HA MET 3 27.699 2.437 -22.236 18 HB2 MET 3 HB2 MET 3 26.629 5.294 -22.235 19 HB3 MET 3 HB3 MET 3 26.343 4.131 -20.943 20 HG2 MET 3 HG2 MET 3 28.700 4.051 -20.411 21 HG3 MET 3 HG3 MET 3 29.097 5.056 -21.808 22 HE1 MET 3 HE1 MET 3 26.922 7.340 -21.803 23 HE2 MET 3 HE2 MET 3 28.654 7.637 -21.966 24 HE3 MET 3 HE3 MET 3 27.708 8.549 -20.789 25 H SER 4 H SER 4 26.216 0.922 -22.640 26 HA SER 4 HA SER 4 24.172 1.065 -24.600 27 HB2 SER 4 HB2 SER 4 24.603 -0.958 -22.366 28 HB3 SER 4 HB3 SER 4 23.469 -1.169 -23.704 29 HG SER 4 HG SER 4 25.073 -1.847 -24.839 30 H ASN 5 H ASN 5 23.773 0.673 -21.030 31 HA ASN 5 HA ASN 5 21.025 1.689 -21.169 32 HB2 ASN 5 HB2 ASN 5 21.591 -0.342 -19.786 33 HB3 ASN 5 HB3 ASN 5 22.570 0.672 -18.735 34 HD21 ASN 5 HD21 ASN 5 21.475 2.295 -17.455 35 HD22 ASN 5 HD22 ASN 5 19.795 2.128 -17.087 36 H LYS 6 H LYS 6 21.149 3.866 -21.515 37 HA LYS 6 HA LYS 6 22.392 5.581 -19.435 38 HB2 LYS 6 HB2 LYS 6 23.089 7.182 -21.230 39 HB3 LYS 6 HB3 LYS 6 23.900 5.623 -21.353 40 HG2 LYS 6 HG2 LYS 6 22.296 4.963 -23.152 41 HG3 LYS 6 HG3 LYS 6 21.571 6.573 -23.061 42 HD2 LYS 6 HD2 LYS 6 23.711 7.591 -23.756 43 HD3 LYS 6 HD3 LYS 6 24.475 5.997 -23.790 44 HE2 LYS 6 HE2 LYS 6 22.889 5.309 -25.586 45 HE3 LYS 6 HE3 LYS 6 22.194 6.934 -25.573 46 HZ1 LYS 6 HZ1 LYS 6 24.998 6.228 -26.246 47 HZ2 LYS 6 HZ2 LYS 6 24.375 7.800 -26.184 48 HZ3 LYS 6 HZ3 LYS 6 23.792 6.706 -27.332 49 H GLY 7 H GLY 7 19.702 4.899 -21.478 50 HA2 GLY 7 HA2 GLY 7 18.363 7.469 -21.256 51 HA3 GLY 7 HA3 GLY 7 17.732 6.003 -21.988 52 H LYS 8 H LYS 8 18.400 7.545 -18.873 53 HA LYS 8 HA LYS 8 16.599 5.795 -17.384 54 HB2 LYS 8 HB2 LYS 8 18.142 8.267 -16.505 55 HB3 LYS 8 HB3 LYS 8 17.264 7.182 -15.425 56 HG2 LYS 8 HG2 LYS 8 18.799 5.344 -16.005 57 HG3 LYS 8 HG3 LYS 8 19.665 6.404 -17.129 58 HD2 LYS 8 HD2 LYS 8 20.251 7.898 -15.208 59 HD3 LYS 8 HD3 LYS 8 19.453 6.771 -14.107 60 HE2 LYS 8 HE2 LYS 8 21.076 5.018 -14.724 61 HE3 LYS 8 HE3 LYS 8 21.854 6.124 -15.860 62 HZ1 LYS 8 HZ1 LYS 8 21.671 6.500 -12.925 63 HZ2 LYS 8 HZ2 LYS 8 22.418 7.560 -14.008 64 HZ3 LYS 8 HZ3 LYS 8 23.045 6.007 -13.775 65 H LYS 9 H LYS 9 14.894 6.779 -15.959 66 HA LYS 9 HA LYS 9 13.553 9.189 -16.927 67 HB2 LYS 9 HB2 LYS 9 12.804 7.491 -18.555 68 HB3 LYS 9 HB3 LYS 9 12.317 6.411 -17.253 69 HG2 LYS 9 HG2 LYS 9 10.574 8.089 -16.578 70 HG3 LYS 9 HG3 LYS 9 11.033 9.076 -17.974 71 HD2 LYS 9 HD2 LYS 9 10.351 7.284 -19.504 72 HD3 LYS 9 HD3 LYS 9 10.018 6.204 -18.148 73 HE2 LYS 9 HE2 LYS 9 8.194 7.704 -17.410 74 HE3 LYS 9 HE3 LYS 9 8.538 8.786 -18.761 75 HZ1 LYS 9 HZ1 LYS 9 6.694 7.363 -19.283 76 HZ2 LYS 9 HZ2 LYS 9 7.609 5.979 -18.957 77 HZ3 LYS 9 HZ3 LYS 9 8.007 6.959 -20.272 78 H ARG 10 H ARG 10 13.831 9.922 -14.791 79 HA ARG 10 HA ARG 10 11.812 8.982 -12.865 80 HB2 ARG 10 HB2 ARG 10 14.778 9.300 -12.228 81 HB3 ARG 10 HB3 ARG 10 13.547 9.416 -10.972 82 HG2 ARG 10 HG2 ARG 10 12.783 7.097 -11.606 83 HG3 ARG 10 HG3 ARG 10 14.170 6.995 -12.694 84 HD2 ARG 10 HD2 ARG 10 15.705 7.267 -10.790 85 HD3 ARG 10 HD3 ARG 10 14.329 7.450 -9.691 86 HE ARG 10 HE ARG 10 14.137 5.006 -11.109 87 HH11 ARG 10 HH11 ARG 10 15.959 6.403 -8.516 88 HH12 ARG 10 HH12 ARG 10 16.228 4.876 -7.762 89 HH21 ARG 10 HH21 ARG 10 14.489 3.087 -10.122 90 HH22 ARG 10 HH22 ARG 10 15.415 3.023 -8.664 91 H ARG 11 H ARG 11 10.514 10.740 -12.917 92 HA ARG 11 HA ARG 11 11.524 13.461 -12.725 93 HB2 ARG 11 HB2 ARG 11 8.734 12.261 -12.778 94 HB3 ARG 11 HB3 ARG 11 8.966 13.944 -12.336 95 HG2 ARG 11 HG2 ARG 11 8.371 13.846 -14.665 96 HG3 ARG 11 HG3 ARG 11 10.051 14.362 -14.538 97 HD2 ARG 11 HD2 ARG 11 10.745 12.000 -15.066 98 HD3 ARG 11 HD3 ARG 11 9.038 11.607 -15.314 99 HE ARG 11 HE ARG 11 10.296 13.754 -16.890 100 HH11 ARG 11 HH11 ARG 11 8.665 10.698 -16.875 101 HH12 ARG 11 HH12 ARG 11 8.626 10.612 -18.599 102 HH21 ARG 11 HH21 ARG 11 10.215 13.602 -19.081 103 HH22 ARG 11 HH22 ARG 11 9.495 12.218 -19.825 104 H ASN 12 H ASN 12 9.817 11.171 -10.587 105 HA ASN 12 HA ASN 12 9.593 10.956 -8.345 106 HB2 ASN 12 HB2 ASN 12 12.277 12.394 -8.404 107 HB3 ASN 12 HB3 ASN 12 11.596 11.690 -6.941 108 HD21 ASN 12 HD21 ASN 12 13.542 10.388 -6.884 109 HD22 ASN 12 HD22 ASN 12 13.663 8.976 -7.865 110 H ARG 13 H ARG 13 8.168 13.129 -9.462 111 HA ARG 13 HA ARG 13 8.372 15.570 -7.993 112 HB2 ARG 13 HB2 ARG 13 5.889 14.470 -9.396 113 HB3 ARG 13 HB3 ARG 13 6.213 16.159 -8.999 114 HG2 ARG 13 HG2 ARG 13 8.120 16.139 -10.605 115 HG3 ARG 13 HG3 ARG 13 7.741 14.462 -11.005 116 HD2 ARG 13 HD2 ARG 13 6.764 15.753 -12.739 117 HD3 ARG 13 HD3 ARG 13 5.414 15.296 -11.698 118 HE ARG 13 HE ARG 13 6.592 17.873 -11.105 119 HH11 ARG 13 HH11 ARG 13 4.065 16.271 -12.865 120 HH12 ARG 13 HH12 ARG 13 3.214 17.745 -13.165 121 HH21 ARG 13 HH21 ARG 13 5.495 19.714 -11.517 122 HH22 ARG 13 HH22 ARG 13 4.014 19.667 -12.410 123 H THR 14 H THR 14 6.860 12.522 -7.306 124 HA THR 14 HA THR 14 6.021 11.573 -5.454 125 HB THR 14 HB THR 14 6.700 14.145 -3.951 126 HG1 THR 14 HG1 THR 14 8.706 13.409 -3.858 127 HG21 THR 14 HG21 THR 14 6.798 12.689 -1.947 128 HG22 THR 14 HG22 THR 14 6.265 11.313 -2.912 129 HG23 THR 14 HG23 THR 14 5.179 12.680 -2.650 130 H THR 15 H THR 15 3.968 11.423 -6.327 131 HA THR 15 HA THR 15 1.898 13.417 -5.878 132 HB THR 15 HB THR 15 0.357 11.745 -6.878 133 HG1 THR 15 HG1 THR 15 0.887 9.704 -6.708 134 HG21 THR 15 HG21 THR 15 1.377 11.562 -9.117 135 HG22 THR 15 HG22 THR 15 2.955 11.972 -8.443 136 HG23 THR 15 HG23 THR 15 1.654 13.167 -8.431 137 H PHE 16 H PHE 16 2.886 10.320 -4.471 138 HA PHE 16 HA PHE 16 0.770 10.072 -2.556 139 HB2 PHE 16 HB2 PHE 16 3.582 8.881 -2.434 140 HB3 PHE 16 HB3 PHE 16 2.182 8.344 -1.512 141 HD1 PHE 16 HD1 PHE 16 0.212 7.306 -2.780 142 HD2 PHE 16 HD2 PHE 16 4.013 7.983 -4.618 143 HE1 PHE 16 HE1 PHE 16 -0.345 5.678 -4.539 144 HE2 PHE 16 HE2 PHE 16 3.448 6.353 -6.372 145 HZ PHE 16 HZ PHE 16 1.267 5.199 -6.337 146 H THR 17 H THR 17 0.496 11.359 -0.782 147 HA THR 17 HA THR 17 2.399 13.323 0.042 148 HB THR 17 HB THR 17 0.824 14.035 1.713 149 HG1 THR 17 HG1 THR 17 -1.161 12.328 1.707 150 HG21 THR 17 HG21 THR 17 0.075 14.512 -0.601 151 HG22 THR 17 HG22 THR 17 -1.300 14.241 0.472 152 HG23 THR 17 HG23 THR 17 -0.787 12.969 -0.639 153 H SER 18 H SER 18 3.049 13.587 2.411 154 HA SER 18 HA SER 18 4.809 11.603 3.258 155 HB2 SER 18 HB2 SER 18 3.468 13.730 4.981 156 HB3 SER 18 HB3 SER 18 4.946 12.858 5.395 157 HG SER 18 HG SER 18 5.021 15.066 4.326 158 H TYR 19 H TYR 19 1.498 12.259 4.436 159 HA TYR 19 HA TYR 19 1.339 10.264 6.430 160 HB2 TYR 19 HB2 TYR 19 -0.238 12.148 6.334 161 HB3 TYR 19 HB3 TYR 19 -0.878 11.568 4.802 162 HD1 TYR 19 HD2 TYR 19 -0.744 10.901 8.458 163 HD2 TYR 19 HD1 TYR 19 -2.526 9.751 4.742 164 HE1 TYR 19 HE2 TYR 19 -2.404 9.549 9.664 165 HE2 TYR 19 HE1 TYR 19 -4.166 8.386 5.945 166 HH TYR 19 HH TYR 19 -4.324 7.234 8.181 167 H GLN 20 H GLN 20 0.325 10.196 2.997 168 HA GLN 20 HA GLN 20 -0.871 7.630 2.968 169 HB2 GLN 20 HB2 GLN 20 0.469 9.127 0.667 170 HB3 GLN 20 HB3 GLN 20 -0.603 7.735 0.485 171 HG2 GLN 20 HG2 GLN 20 -2.458 9.018 1.454 172 HG3 GLN 20 HG3 GLN 20 -1.399 10.404 1.689 173 HE21 GLN 20 HE21 GLN 20 -3.850 10.338 0.209 174 HE22 GLN 20 HE22 GLN 20 -3.478 10.756 -1.420 175 H LEU 21 H LEU 21 2.462 8.637 2.200 176 HA LEU 21 HA LEU 21 3.596 6.156 1.580 177 HB2 LEU 21 HB2 LEU 21 4.834 8.611 2.869 178 HB3 LEU 21 HB3 LEU 21 5.780 7.221 2.343 179 HG LEU 21 HG LEU 21 4.090 8.979 0.507 180 HD11 LEU 21 HD11 LEU 21 6.220 9.810 -0.383 181 HD12 LEU 21 HD12 LEU 21 7.108 8.865 0.817 182 HD13 LEU 21 HD13 LEU 21 6.055 10.189 1.332 183 HD21 LEU 21 HD21 LEU 21 5.981 6.695 -0.167 184 HD22 LEU 21 HD22 LEU 21 5.172 7.749 -1.332 185 HD23 LEU 21 HD23 LEU 21 4.221 6.673 -0.313 186 H GLU 22 H GLU 22 3.235 7.719 4.795 187 HA GLU 22 HA GLU 22 4.572 5.857 6.410 188 HB2 GLU 22 HB2 GLU 22 2.088 7.513 7.027 189 HB3 GLU 22 HB3 GLU 22 2.995 6.624 8.249 190 HG2 GLU 22 HG2 GLU 22 4.965 8.005 7.841 191 HG3 GLU 22 HG3 GLU 22 4.144 8.840 6.529 192 H GLU 23 H GLU 23 1.089 5.917 5.611 193 HA GLU 23 HA GLU 23 0.307 3.606 7.042 194 HB2 GLU 23 HB2 GLU 23 -1.019 4.793 4.575 195 HB3 GLU 23 HB3 GLU 23 -1.796 3.779 5.790 196 HG2 GLU 23 HG2 GLU 23 -0.626 6.515 6.402 197 HG3 GLU 23 HG3 GLU 23 -2.288 6.280 5.870 198 H LEU 24 H LEU 24 1.096 4.012 3.579 199 HA LEU 24 HA LEU 24 0.653 1.371 2.668 200 HB2 LEU 24 HB2 LEU 24 2.530 3.537 1.649 201 HB3 LEU 24 HB3 LEU 24 2.205 2.050 0.771 202 HG LEU 24 HG LEU 24 0.050 4.092 1.466 203 HD11 LEU 24 HD11 LEU 24 1.683 5.145 -0.013 204 HD12 LEU 24 HD12 LEU 24 0.167 4.857 -0.861 205 HD13 LEU 24 HD13 LEU 24 1.552 3.803 -1.155 206 HD21 LEU 24 HD21 LEU 24 -1.302 2.919 -0.213 207 HD22 LEU 24 HD22 LEU 24 -0.814 1.825 1.078 208 HD23 LEU 24 HD23 LEU 24 0.005 1.763 -0.485 209 H GLU 25 H GLU 25 3.642 2.954 3.850 210 HA GLU 25 HA GLU 25 5.444 0.811 3.528 211 HB2 GLU 25 HB2 GLU 25 5.447 3.332 5.172 212 HB3 GLU 25 HB3 GLU 25 6.664 2.119 5.535 213 HG2 GLU 25 HG2 GLU 25 6.250 3.370 2.807 214 HG3 GLU 25 HG3 GLU 25 7.437 3.917 3.990 215 H LYS 26 H LYS 26 3.397 1.669 6.341 216 HA LYS 26 HA LYS 26 4.332 -0.128 8.273 217 HB2 LYS 26 HB2 LYS 26 1.448 0.728 7.768 218 HB3 LYS 26 HB3 LYS 26 2.005 -0.067 9.239 219 HG2 LYS 26 HG2 LYS 26 3.341 1.829 9.864 220 HG3 LYS 26 HG3 LYS 26 3.089 2.600 8.297 221 HD2 LYS 26 HD2 LYS 26 0.625 2.745 8.837 222 HD3 LYS 26 HD3 LYS 26 0.994 2.122 10.450 223 HE2 LYS 26 HE2 LYS 26 2.109 4.699 9.277 224 HE3 LYS 26 HE3 LYS 26 0.761 4.593 10.406 225 HZ1 LYS 26 HZ1 LYS 26 2.782 5.128 11.562 226 HZ2 LYS 26 HZ2 LYS 26 3.548 3.753 10.948 227 HZ3 LYS 26 HZ3 LYS 26 2.256 3.589 12.027 228 H VAL 27 H VAL 27 1.967 -0.674 5.704 229 HA VAL 27 HA VAL 27 1.372 -3.401 6.351 230 HB VAL 27 HB VAL 27 0.884 -1.881 3.748 231 HG11 VAL 27 HG11 VAL 27 -0.903 -3.565 3.329 232 HG12 VAL 27 HG12 VAL 27 -0.395 -4.451 4.769 233 HG13 VAL 27 HG13 VAL 27 0.699 -4.307 3.393 234 HG21 VAL 27 HG21 VAL 27 -1.401 -1.478 4.629 235 HG22 VAL 27 HG22 VAL 27 -0.176 -0.746 5.664 236 HG23 VAL 27 HG23 VAL 27 -0.954 -2.254 6.151 237 H PHE 28 H PHE 28 3.628 -1.820 4.055 238 HA PHE 28 HA PHE 28 4.455 -4.130 2.629 239 HB2 PHE 28 HB2 PHE 28 4.822 -1.786 1.825 240 HB3 PHE 28 HB3 PHE 28 6.045 -1.563 3.070 241 HD1 PHE 28 HD1 PHE 28 5.219 -3.692 0.092 242 HD2 PHE 28 HD2 PHE 28 8.334 -2.122 2.574 243 HE1 PHE 28 HE1 PHE 28 6.909 -4.596 -1.451 244 HE2 PHE 28 HE2 PHE 28 10.021 -3.036 1.017 245 HZ PHE 28 HZ PHE 28 9.308 -4.269 -0.995 246 H GLN 29 H GLN 29 5.705 -2.640 5.600 247 HA GLN 29 HA GLN 29 8.095 -4.180 5.832 248 HB2 GLN 29 HB2 GLN 29 6.522 -2.771 8.029 249 HB3 GLN 29 HB3 GLN 29 8.170 -3.368 8.184 250 HG2 GLN 29 HG2 GLN 29 7.208 -1.082 6.435 251 HG3 GLN 29 HG3 GLN 29 8.194 -0.966 7.888 252 HE21 GLN 29 HE21 GLN 29 8.169 -1.614 4.490 253 HE22 GLN 29 HE22 GLN 29 9.880 -1.695 4.279 254 H LYS 30 H LYS 30 4.786 -4.667 7.000 255 HA LYS 30 HA LYS 30 5.369 -7.038 8.565 256 HB2 LYS 30 HB2 LYS 30 2.713 -5.906 7.579 257 HB3 LYS 30 HB3 LYS 30 2.878 -7.234 8.730 258 HG2 LYS 30 HG2 LYS 30 3.952 -5.726 10.347 259 HG3 LYS 30 HG3 LYS 30 3.863 -4.395 9.185 260 HD2 LYS 30 HD2 LYS 30 1.368 -4.570 9.226 261 HD3 LYS 30 HD3 LYS 30 1.496 -5.847 10.441 262 HE2 LYS 30 HE2 LYS 30 2.560 -4.256 12.001 263 HE3 LYS 30 HE3 LYS 30 2.460 -2.982 10.781 264 HZ1 LYS 30 HZ1 LYS 30 0.179 -4.377 12.067 265 HZ2 LYS 30 HZ2 LYS 30 0.036 -3.235 10.830 266 HZ3 LYS 30 HZ3 LYS 30 0.665 -2.778 12.331 267 H THR 31 H THR 31 3.963 -6.387 5.369 268 HA THR 31 HA THR 31 4.561 -9.060 4.390 269 HB THR 31 HB THR 31 2.345 -9.490 5.279 270 HG1 THR 31 HG1 THR 31 1.199 -9.701 3.066 271 HG21 THR 31 HG21 THR 31 1.479 -7.166 5.415 272 HG22 THR 31 HG22 THR 31 0.329 -8.237 4.615 273 HG23 THR 31 HG23 THR 31 1.311 -7.128 3.656 274 H HIS 32 H HIS 32 5.248 -8.947 2.333 275 HA HIS 32 HA HIS 32 5.194 -6.450 0.863 276 HB2 HIS 32 HB2 HIS 32 6.280 -9.165 -0.003 277 HB3 HIS 32 HB3 HIS 32 6.619 -7.615 -0.776 278 HD1 HIS 32 HD1 HIS 32 8.208 -9.892 1.388 279 HD2 HIS 32 HD2 HIS 32 7.791 -5.764 1.430 280 HE1 HIS 32 HE1 HIS 32 10.029 -9.053 2.882 281 HE2 HIS 32 HE2 HIS 32 9.638 -6.583 3.038 282 H TYR 33 H TYR 33 3.240 -9.261 0.989 283 HA TYR 33 HA TYR 33 1.694 -8.485 -1.423 284 HB2 TYR 33 HB2 TYR 33 2.026 -11.272 -0.213 285 HB3 TYR 33 HB3 TYR 33 1.002 -10.878 -1.592 286 HD1 TYR 33 HD1 TYR 33 4.497 -11.314 -0.454 287 HD2 TYR 33 HD2 TYR 33 1.985 -10.477 -3.811 288 HE1 TYR 33 HE1 TYR 33 6.398 -11.678 -1.968 289 HE2 TYR 33 HE2 TYR 33 3.884 -10.850 -5.323 290 HH TYR 33 HH TYR 33 6.879 -12.192 -4.242 291 HA PRO 34 HA PRO 34 -1.077 -7.810 2.272 292 HB2 PRO 34 HB2 PRO 34 -2.312 -5.701 0.581 293 HB3 PRO 34 HB3 PRO 34 -1.576 -5.561 2.179 294 HG2 PRO 34 HG2 PRO 34 -0.393 -4.540 -0.034 295 HG3 PRO 34 HG3 PRO 34 0.552 -5.205 1.316 296 HD2 PRO 34 HD2 PRO 34 -0.153 -6.510 -1.317 297 HD3 PRO 34 HD3 PRO 34 1.402 -6.479 -0.458 298 H ASP 35 H ASP 35 -3.210 -8.471 2.622 299 HA ASP 35 HA ASP 35 -4.641 -10.016 0.699 300 HB2 ASP 35 HB2 ASP 35 -5.566 -8.798 3.346 301 HB3 ASP 35 HB3 ASP 35 -6.498 -9.969 2.416 302 H VAL 36 H VAL 36 -6.886 -9.562 -0.111 303 HA VAL 36 HA VAL 36 -7.252 -7.041 -1.306 304 HB VAL 36 HB VAL 36 -8.426 -8.994 -2.197 305 HG11 VAL 36 HG11 VAL 36 -8.970 -10.201 -0.130 306 HG12 VAL 36 HG12 VAL 36 -10.409 -9.998 -1.128 307 HG13 VAL 36 HG13 VAL 36 -10.171 -8.975 0.297 308 HG21 VAL 36 HG21 VAL 36 -9.376 -6.788 -2.733 309 HG22 VAL 36 HG22 VAL 36 -10.412 -6.864 -1.306 310 HG23 VAL 36 HG23 VAL 36 -10.652 -8.003 -2.633 311 H TYR 37 H TYR 37 -8.704 -8.377 1.658 312 HA TYR 37 HA TYR 37 -10.339 -6.187 2.382 313 HB2 TYR 37 HB2 TYR 37 -10.599 -8.521 3.226 314 HB3 TYR 37 HB3 TYR 37 -9.115 -8.351 4.151 315 HD1 TYR 37 HD2 TYR 37 -12.493 -6.783 3.744 316 HD2 TYR 37 HD1 TYR 37 -9.278 -7.655 6.420 317 HE1 TYR 37 HE2 TYR 37 -13.825 -5.917 5.633 318 HE2 TYR 37 HE1 TYR 37 -10.602 -6.801 8.306 319 HH TYR 37 HH TYR 37 -12.490 -5.241 8.682 320 H ALA 38 H ALA 38 -6.957 -6.931 3.052 321 HA ALA 38 HA ALA 38 -6.399 -4.850 4.906 322 HB1 ALA 38 HB1 ALA 38 -4.512 -6.203 2.946 323 HB2 ALA 38 HB2 ALA 38 -4.885 -6.765 4.576 324 HB3 ALA 38 HB3 ALA 38 -4.033 -5.237 4.348 325 H ARG 39 H ARG 39 -6.068 -4.995 1.328 326 HA ARG 39 HA ARG 39 -5.090 -2.304 1.031 327 HB2 ARG 39 HB2 ARG 39 -6.285 -4.165 -1.063 328 HB3 ARG 39 HB3 ARG 39 -5.439 -2.655 -1.409 329 HG2 ARG 39 HG2 ARG 39 -3.372 -3.637 -0.387 330 HG3 ARG 39 HG3 ARG 39 -4.243 -5.158 -0.162 331 HD2 ARG 39 HD2 ARG 39 -3.526 -3.811 -2.793 332 HD3 ARG 39 HD3 ARG 39 -2.903 -5.341 -2.166 333 HE ARG 39 HE ARG 39 -5.694 -5.551 -2.409 334 HH11 ARG 39 HH11 ARG 39 -2.930 -5.378 -4.495 335 HH12 ARG 39 HH12 ARG 39 -3.757 -6.115 -5.815 336 HH21 ARG 39 HH21 ARG 39 -6.722 -6.452 -4.105 337 HH22 ARG 39 HH22 ARG 39 -5.900 -6.703 -5.604 338 H GLU 40 H GLU 40 -8.333 -3.673 1.191 339 HA GLU 40 HA GLU 40 -9.789 -1.536 0.010 340 HB2 GLU 40 HB2 GLU 40 -10.641 -3.493 2.184 341 HB3 GLU 40 HB3 GLU 40 -11.741 -2.366 1.394 342 HG2 GLU 40 HG2 GLU 40 -10.285 -4.706 0.136 343 HG3 GLU 40 HG3 GLU 40 -12.013 -4.549 0.419 344 H GLN 41 H GLN 41 -9.151 -2.249 3.443 345 HA GLN 41 HA GLN 41 -10.138 0.215 4.481 346 HB2 GLN 41 HB2 GLN 41 -8.246 -1.820 5.729 347 HB3 GLN 41 HB3 GLN 41 -9.081 -0.540 6.607 348 HG2 GLN 41 HG2 GLN 41 -10.441 -2.832 5.140 349 HG3 GLN 41 HG3 GLN 41 -10.139 -2.767 6.874 350 HE21 GLN 41 HE21 GLN 41 -12.107 -1.541 4.268 351 HE22 GLN 41 HE22 GLN 41 -13.283 -0.755 5.258 352 H LEU 42 H LEU 42 -6.922 -0.863 3.469 353 HA LEU 42 HA LEU 42 -5.381 1.311 4.455 354 HB2 LEU 42 HB2 LEU 42 -4.376 -0.819 3.745 355 HB3 LEU 42 HB3 LEU 42 -4.890 -0.539 2.093 356 HG LEU 42 HG LEU 42 -3.313 1.381 1.919 357 HD11 LEU 42 HD11 LEU 42 -2.415 0.626 4.716 358 HD12 LEU 42 HD12 LEU 42 -3.265 2.107 4.253 359 HD13 LEU 42 HD13 LEU 42 -1.636 1.803 3.653 360 HD21 LEU 42 HD21 LEU 42 -2.577 -0.846 1.201 361 HD22 LEU 42 HD22 LEU 42 -1.989 -1.197 2.830 362 HD23 LEU 42 HD23 LEU 42 -1.230 0.075 1.870 363 H ALA 43 H ALA 43 -7.006 0.776 1.323 364 HA ALA 43 HA ALA 43 -6.191 3.133 -0.012 365 HB1 ALA 43 HB1 ALA 43 -8.770 1.566 -0.367 366 HB2 ALA 43 HB2 ALA 43 -7.234 1.212 -1.159 367 HB3 ALA 43 HB3 ALA 43 -8.087 2.714 -1.525 368 H MET 44 H MET 44 -8.920 2.508 2.178 369 HA MET 44 HA MET 44 -10.203 5.043 2.033 370 HB2 MET 44 HB2 MET 44 -10.147 3.049 4.341 371 HB3 MET 44 HB3 MET 44 -11.267 4.399 4.198 372 HG2 MET 44 HG2 MET 44 -12.257 3.388 2.203 373 HG3 MET 44 HG3 MET 44 -11.103 2.053 2.297 374 HE1 MET 44 HE1 MET 44 -13.065 0.274 2.259 375 HE2 MET 44 HE2 MET 44 -14.285 1.547 2.177 376 HE3 MET 44 HE3 MET 44 -14.418 0.273 3.389 377 H ARG 45 H ARG 45 -7.786 3.754 4.340 378 HA ARG 45 HA ARG 45 -7.559 5.993 6.040 379 HB2 ARG 45 HB2 ARG 45 -5.581 3.757 5.422 380 HB3 ARG 45 HB3 ARG 45 -5.310 4.953 6.690 381 HG2 ARG 45 HG2 ARG 45 -7.318 4.185 7.878 382 HG3 ARG 45 HG3 ARG 45 -7.668 3.034 6.588 383 HD2 ARG 45 HD2 ARG 45 -6.625 1.947 8.557 384 HD3 ARG 45 HD3 ARG 45 -5.629 1.779 7.108 385 HE ARG 45 HE ARG 45 -4.571 3.965 8.248 386 HH11 ARG 45 HH11 ARG 45 -5.321 0.921 9.730 387 HH12 ARG 45 HH12 ARG 45 -3.964 1.008 10.793 388 HH21 ARG 45 HH21 ARG 45 -2.868 4.029 9.595 389 HH22 ARG 45 HH22 ARG 45 -2.596 2.745 10.722 390 H THR 46 H THR 46 -5.626 5.092 3.178 391 HA THR 46 HA THR 46 -3.926 7.435 3.272 392 HB THR 46 HB THR 46 -3.044 6.623 1.083 393 HG1 THR 46 HG1 THR 46 -4.384 4.214 1.139 394 HG21 THR 46 HG21 THR 46 -3.276 4.398 3.141 395 HG22 THR 46 HG22 THR 46 -2.100 5.714 3.191 396 HG23 THR 46 HG23 THR 46 -2.044 4.532 1.879 397 H ASP 47 H ASP 47 -7.049 6.768 1.984 398 HA ASP 47 HA ASP 47 -8.547 7.854 0.706 399 HB2 ASP 47 HB2 ASP 47 -7.809 9.844 2.070 400 HB3 ASP 47 HB3 ASP 47 -6.653 10.240 0.806 401 H LEU 48 H LEU 48 -6.130 6.413 -0.398 402 HA LEU 48 HA LEU 48 -5.952 7.409 -3.168 403 HB2 LEU 48 HB2 LEU 48 -4.523 5.152 -1.703 404 HB3 LEU 48 HB3 LEU 48 -4.273 5.520 -3.404 405 HG LEU 48 HG LEU 48 -3.667 7.470 -1.142 406 HD11 LEU 48 HD11 LEU 48 -2.197 5.528 -0.972 407 HD12 LEU 48 HD12 LEU 48 -1.299 6.940 -1.519 408 HD13 LEU 48 HD13 LEU 48 -1.750 5.683 -2.675 409 HD21 LEU 48 HD21 LEU 48 -2.947 7.576 -4.098 410 HD22 LEU 48 HD22 LEU 48 -2.438 8.737 -2.868 411 HD23 LEU 48 HD23 LEU 48 -4.143 8.588 -3.282 412 H THR 49 H THR 49 -6.247 5.858 -4.943 413 HA THR 49 HA THR 49 -8.576 4.141 -4.669 414 HB THR 49 HB THR 49 -8.382 3.821 -7.101 415 HG1 THR 49 HG1 THR 49 -6.589 4.231 -8.183 416 HG21 THR 49 HG21 THR 49 -9.450 5.924 -6.358 417 HG22 THR 49 HG22 THR 49 -8.585 6.154 -7.878 418 HG23 THR 49 HG23 THR 49 -7.877 6.732 -6.368 419 H GLU 50 H GLU 50 -8.543 1.845 -5.505 420 HA GLU 50 HA GLU 50 -6.677 0.199 -4.208 421 HB2 GLU 50 HB2 GLU 50 -8.899 -0.637 -4.881 422 HB3 GLU 50 HB3 GLU 50 -8.468 -0.481 -6.581 423 HG2 GLU 50 HG2 GLU 50 -6.666 -2.214 -6.212 424 HG3 GLU 50 HG3 GLU 50 -7.287 -2.435 -4.573 425 H ALA 51 H ALA 51 -6.798 1.200 -7.632 426 HA ALA 51 HA ALA 51 -4.532 -0.236 -8.559 427 HB1 ALA 51 HB1 ALA 51 -6.221 0.729 -10.067 428 HB2 ALA 51 HB2 ALA 51 -4.595 1.259 -10.503 429 HB3 ALA 51 HB3 ALA 51 -5.684 2.355 -9.641 430 H ARG 52 H ARG 52 -4.808 2.975 -7.034 431 HA ARG 52 HA ARG 52 -2.153 3.878 -7.555 432 HB2 ARG 52 HB2 ARG 52 -4.451 4.992 -6.357 433 HB3 ARG 52 HB3 ARG 52 -3.310 4.934 -5.032 434 HG2 ARG 52 HG2 ARG 52 -3.164 7.097 -6.068 435 HG3 ARG 52 HG3 ARG 52 -1.676 6.219 -6.433 436 HD2 ARG 52 HD2 ARG 52 -2.466 7.414 -8.413 437 HD3 ARG 52 HD3 ARG 52 -2.564 5.671 -8.686 438 HE ARG 52 HE ARG 52 -5.044 6.126 -7.901 439 HH11 ARG 52 HH11 ARG 52 -3.178 8.031 -10.110 440 HH12 ARG 52 HH12 ARG 52 -4.574 8.572 -10.968 441 HH21 ARG 52 HH21 ARG 52 -6.798 6.837 -9.035 442 HH22 ARG 52 HH22 ARG 52 -6.584 7.914 -10.367 443 H VAL 53 H VAL 53 -3.604 2.241 -4.760 444 HA VAL 53 HA VAL 53 -1.323 1.862 -3.141 445 HB VAL 53 HB VAL 53 -3.859 0.168 -3.411 446 HG11 VAL 53 HG11 VAL 53 -1.817 0.123 -1.154 447 HG12 VAL 53 HG12 VAL 53 -2.108 -1.172 -2.316 448 HG13 VAL 53 HG13 VAL 53 -3.361 -0.735 -1.156 449 HG21 VAL 53 HG21 VAL 53 -3.177 2.374 -1.416 450 HG22 VAL 53 HG22 VAL 53 -4.660 1.416 -1.418 451 HG23 VAL 53 HG23 VAL 53 -4.316 2.510 -2.759 452 H GLN 54 H GLN 54 -2.760 -0.225 -5.644 453 HA GLN 54 HA GLN 54 -1.084 -2.461 -5.488 454 HB2 GLN 54 HB2 GLN 54 -3.211 -2.527 -6.667 455 HB3 GLN 54 HB3 GLN 54 -2.676 -1.322 -7.821 456 HG2 GLN 54 HG2 GLN 54 -1.105 -3.881 -7.742 457 HG3 GLN 54 HG3 GLN 54 -2.753 -3.987 -8.357 458 HE21 GLN 54 HE21 GLN 54 0.453 -2.740 -8.971 459 HE22 GLN 54 HE22 GLN 54 0.174 -2.271 -10.605 460 H VAL 55 H VAL 55 -0.796 0.371 -7.657 461 HA VAL 55 HA VAL 55 1.554 -0.410 -9.023 462 HB VAL 55 HB VAL 55 0.362 2.364 -8.573 463 HG11 VAL 55 HG11 VAL 55 2.759 2.651 -9.083 464 HG12 VAL 55 HG12 VAL 55 1.782 3.158 -10.461 465 HG13 VAL 55 HG13 VAL 55 2.605 1.595 -10.490 466 HG21 VAL 55 HG21 VAL 55 -1.067 0.820 -9.877 467 HG22 VAL 55 HG22 VAL 55 0.264 0.519 -10.995 468 HG23 VAL 55 HG23 VAL 55 -0.457 2.127 -10.897 469 H TRP 56 H TRP 56 1.109 1.482 -6.028 470 HA TRP 56 HA TRP 56 3.772 2.299 -5.615 471 HB2 TRP 56 HB2 TRP 56 1.775 3.143 -4.321 472 HB3 TRP 56 HB3 TRP 56 1.737 1.617 -3.443 473 HD1 TRP 56 HD1 TRP 56 3.725 4.882 -3.703 474 HE1 TRP 56 HE1 TRP 56 5.279 5.089 -1.677 475 HE3 TRP 56 HE3 TRP 56 3.104 0.206 -1.692 476 HZ2 TRP 56 HZ2 TRP 56 6.137 3.514 0.501 477 HZ3 TRP 56 HZ3 TRP 56 4.337 -0.367 0.361 478 HH2 TRP 56 HH2 TRP 56 5.824 1.253 1.429 479 H PHE 57 H PHE 57 2.068 -0.590 -4.327 480 HA PHE 57 HA PHE 57 4.324 -1.772 -3.073 481 HB2 PHE 57 HB2 PHE 57 1.617 -2.877 -3.882 482 HB3 PHE 57 HB3 PHE 57 2.849 -3.939 -3.211 483 HD1 PHE 57 HD1 PHE 57 3.601 -3.666 -0.866 484 HD2 PHE 57 HD2 PHE 57 0.436 -1.276 -2.446 485 HE1 PHE 57 HE1 PHE 57 2.939 -3.020 1.408 486 HE2 PHE 57 HE2 PHE 57 -0.211 -0.631 -0.168 487 HZ PHE 57 HZ PHE 57 1.043 -1.498 1.763 488 H GLN 58 H GLN 58 3.169 -1.974 -6.425 489 HA GLN 58 HA GLN 58 4.940 -4.125 -7.168 490 HB2 GLN 58 HB2 GLN 58 3.330 -2.141 -8.803 491 HB3 GLN 58 HB3 GLN 58 4.407 -3.308 -9.562 492 HG2 GLN 58 HG2 GLN 58 2.086 -4.057 -7.755 493 HG3 GLN 58 HG3 GLN 58 2.003 -3.988 -9.513 494 HE21 GLN 58 HE21 GLN 58 1.441 -6.206 -9.592 495 HE22 GLN 58 HE22 GLN 58 2.609 -7.448 -9.334 496 H ASN 59 H ASN 59 5.214 -0.571 -7.280 497 HA ASN 59 HA ASN 59 7.775 -0.412 -8.514 498 HB2 ASN 59 HB2 ASN 59 6.421 1.456 -6.519 499 HB3 ASN 59 HB3 ASN 59 7.910 1.852 -7.373 500 HD21 ASN 59 HD21 ASN 59 5.223 3.115 -7.408 501 HD22 ASN 59 HD22 ASN 59 4.780 3.174 -9.072 502 H ARG 60 H ARG 60 6.724 -0.866 -5.189 503 HA ARG 60 HA ARG 60 9.303 -0.732 -3.955 504 HB2 ARG 60 HB2 ARG 60 6.562 -0.799 -3.085 505 HB3 ARG 60 HB3 ARG 60 7.347 -2.164 -2.321 506 HG2 ARG 60 HG2 ARG 60 7.448 -0.276 -0.827 507 HG3 ARG 60 HG3 ARG 60 9.083 -0.626 -1.400 508 HD2 ARG 60 HD2 ARG 60 8.833 1.217 -3.088 509 HD3 ARG 60 HD3 ARG 60 7.252 1.594 -2.385 510 HE ARG 60 HE ARG 60 9.360 1.589 -0.436 511 HH11 ARG 60 HH11 ARG 60 7.773 3.595 -2.766 512 HH12 ARG 60 HH12 ARG 60 8.348 5.053 -2.048 513 HH21 ARG 60 HH21 ARG 60 10.083 3.459 0.448 514 HH22 ARG 60 HH22 ARG 60 9.640 4.976 -0.248 515 H ARG 61 H ARG 61 7.271 -3.378 -5.195 516 HA ARG 61 HA ARG 61 9.099 -5.446 -4.277 517 HB2 ARG 61 HB2 ARG 61 6.585 -5.635 -5.965 518 HB3 ARG 61 HB3 ARG 61 7.617 -7.025 -5.616 519 HG2 ARG 61 HG2 ARG 61 7.254 -6.548 -3.144 520 HG3 ARG 61 HG3 ARG 61 6.042 -5.358 -3.628 521 HD2 ARG 61 HD2 ARG 61 5.983 -8.346 -4.183 522 HD3 ARG 61 HD3 ARG 61 4.959 -7.462 -3.051 523 HE ARG 61 HE ARG 61 4.860 -7.036 -5.984 524 HH11 ARG 61 HH11 ARG 61 3.162 -7.463 -2.992 525 HH12 ARG 61 HH12 ARG 61 1.621 -7.437 -3.760 526 HH21 ARG 61 HH21 ARG 61 2.892 -7.035 -6.914 527 HH22 ARG 61 HH22 ARG 61 1.468 -7.184 -5.951 528 H ALA 62 H ALA 62 8.879 -3.463 -7.093 529 HA ALA 62 HA ALA 62 10.117 -5.077 -9.052 530 HB1 ALA 62 HB1 ALA 62 9.079 -2.901 -9.567 531 HB2 ALA 62 HB2 ALA 62 10.741 -2.963 -10.156 532 HB3 ALA 62 HB3 ALA 62 10.359 -2.068 -8.680 533 H LYS 63 H LYS 63 11.631 -2.721 -6.819 534 HA LYS 63 HA LYS 63 14.333 -3.537 -7.372 535 HB2 LYS 63 HB2 LYS 63 13.314 -1.911 -5.004 536 HB3 LYS 63 HB3 LYS 63 14.979 -1.998 -5.578 537 HG2 LYS 63 HG2 LYS 63 14.184 -0.976 -7.752 538 HG3 LYS 63 HG3 LYS 63 12.611 -0.732 -6.994 539 HD2 LYS 63 HD2 LYS 63 15.251 0.501 -6.081 540 HD3 LYS 63 HD3 LYS 63 13.985 1.327 -6.985 541 HE2 LYS 63 HE2 LYS 63 13.611 2.058 -4.792 542 HE3 LYS 63 HE3 LYS 63 12.460 0.736 -4.942 543 HZ1 LYS 63 HZ1 LYS 63 13.667 0.707 -2.842 544 HZ2 LYS 63 HZ2 LYS 63 15.135 0.535 -3.665 545 HZ3 LYS 63 HZ3 LYS 63 13.972 -0.688 -3.742 546 H TRP 64 H TRP 64 11.928 -4.416 -4.954 547 HA TRP 64 HA TRP 64 13.536 -5.950 -3.191 548 HB2 TRP 64 HB2 TRP 64 11.310 -5.159 -2.565 549 HB3 TRP 64 HB3 TRP 64 10.575 -6.098 -3.850 550 HD1 TRP 64 HD1 TRP 64 12.234 -6.581 -0.383 551 HE1 TRP 64 HE1 TRP 64 11.422 -8.826 0.579 552 HE3 TRP 64 HE3 TRP 64 9.616 -8.291 -4.420 553 HZ2 TRP 64 HZ2 TRP 64 9.848 -11.023 -0.248 554 HZ3 TRP 64 HZ3 TRP 64 8.472 -10.471 -4.260 555 HH2 TRP 64 HH2 TRP 64 8.588 -11.809 -2.213 556 H ARG 65 H ARG 65 12.067 -6.737 -6.302 557 HA ARG 65 HA ARG 65 12.583 -9.569 -6.170 558 HB2 ARG 65 HB2 ARG 65 11.556 -7.707 -8.311 559 HB3 ARG 65 HB3 ARG 65 12.171 -9.279 -8.809 560 HG2 ARG 65 HG2 ARG 65 9.908 -8.815 -6.828 561 HG3 ARG 65 HG3 ARG 65 9.737 -9.336 -8.511 562 HD2 ARG 65 HD2 ARG 65 11.005 -11.394 -8.006 563 HD3 ARG 65 HD3 ARG 65 11.191 -10.879 -6.324 564 HE ARG 65 HE ARG 65 8.445 -11.062 -7.186 565 HH11 ARG 65 HH11 ARG 65 11.065 -12.831 -5.771 566 HH12 ARG 65 HH12 ARG 65 10.033 -14.088 -5.202 567 HH21 ARG 65 HH21 ARG 65 7.163 -12.664 -6.443 568 HH22 ARG 65 HH22 ARG 65 7.843 -13.991 -5.568 569 H LYS 66 H LYS 66 14.613 -6.880 -6.849 570 HA LYS 66 HA LYS 66 16.872 -6.809 -6.950 571 HB2 LYS 66 HB2 LYS 66 17.089 -8.732 -5.572 572 HB3 LYS 66 HB3 LYS 66 16.570 -9.814 -6.851 573 HG2 LYS 66 HG2 LYS 66 18.730 -9.395 -8.044 574 HG3 LYS 66 HG3 LYS 66 19.246 -8.390 -6.684 575 HD2 LYS 66 HD2 LYS 66 20.150 -10.719 -6.577 576 HD3 LYS 66 HD3 LYS 66 19.172 -10.300 -5.169 577 HE2 LYS 66 HE2 LYS 66 17.255 -11.549 -6.135 578 HE3 LYS 66 HE3 LYS 66 18.225 -11.944 -7.554 579 HZ1 LYS 66 HZ1 LYS 66 19.703 -13.210 -6.164 580 HZ2 LYS 66 HZ2 LYS 66 18.118 -13.749 -5.949 581 HZ3 LYS 66 HZ3 LYS 66 18.845 -12.773 -4.776 582 H ARG 67 H ARG 67 15.778 -9.302 -9.343 583 HA ARG 67 HA ARG 67 17.701 -8.432 -11.345 584 HB2 ARG 67 HB2 ARG 67 15.418 -10.444 -11.524 585 HB3 ARG 67 HB3 ARG 67 16.646 -10.192 -12.761 586 HG2 ARG 67 HG2 ARG 67 18.388 -10.970 -11.141 587 HG3 ARG 67 HG3 ARG 67 17.106 -11.277 -9.959 588 HD2 ARG 67 HD2 ARG 67 16.058 -12.891 -11.541 589 HD3 ARG 67 HD3 ARG 67 17.377 -12.605 -12.684 590 HE ARG 67 HE ARG 67 18.444 -13.418 -10.206 591 HH11 ARG 67 HH11 ARG 67 16.721 -14.772 -12.892 592 HH12 ARG 67 HH12 ARG 67 17.311 -16.364 -12.581 593 HH21 ARG 67 HH21 ARG 67 19.183 -15.466 -9.858 594 HH22 ARG 67 HH22 ARG 67 18.682 -16.750 -10.903 595 H GLU 68 H GLU 68 16.189 -6.181 -10.821 596 HA GLU 68 HA GLU 68 13.934 -5.924 -12.631 597 HB2 GLU 68 HB2 GLU 68 14.169 -4.747 -10.366 598 HB3 GLU 68 HB3 GLU 68 15.358 -3.694 -11.112 599 HG2 GLU 68 HG2 GLU 68 12.498 -3.931 -12.098 600 HG3 GLU 68 HG3 GLU 68 12.993 -2.783 -10.863 601 H ARG 69 H ARG 69 15.063 -6.578 -14.532 602 HA ARG 69 HA ARG 69 15.529 -4.594 -16.392 603 HB2 ARG 69 HB2 ARG 69 18.079 -5.481 -15.095 604 HB3 ARG 69 HB3 ARG 69 18.119 -5.611 -16.847 605 HG2 ARG 69 HG2 ARG 69 17.619 -3.242 -17.097 606 HG3 ARG 69 HG3 ARG 69 17.400 -3.066 -15.359 607 HD2 ARG 69 HD2 ARG 69 19.806 -3.696 -15.047 608 HD3 ARG 69 HD3 ARG 69 19.995 -3.683 -16.805 609 HE ARG 69 HE ARG 69 19.028 -1.242 -16.418 610 HH11 ARG 69 HH11 ARG 69 21.557 -2.834 -14.677 611 HH12 ARG 69 HH12 ARG 69 22.301 -1.346 -14.219 612 HH21 ARG 69 HH21 ARG 69 19.992 0.626 -15.814 613 HH22 ARG 69 HH22 ARG 69 21.433 0.585 -14.859 614 H PHE 70 H PHE 70 16.774 -7.861 -15.643 615 HA PHE 70 HA PHE 70 16.421 -9.918 -16.469 616 HB2 PHE 70 HB2 PHE 70 14.047 -8.701 -17.923 617 HB3 PHE 70 HB3 PHE 70 14.377 -10.428 -17.830 618 HD1 PHE 70 HD1 PHE 70 14.512 -11.483 -15.450 619 HD2 PHE 70 HD2 PHE 70 12.731 -7.670 -16.228 620 HE1 PHE 70 HE1 PHE 70 13.262 -11.629 -13.334 621 HE2 PHE 70 HE2 PHE 70 11.482 -7.825 -14.111 622 HZ PHE 70 HZ PHE 70 11.750 -9.803 -12.661 623 H GLY 71 H GLY 71 15.700 -7.853 -19.322 624 HA2 GLY 71 HA2 GLY 71 16.683 -9.460 -21.322 625 HA3 GLY 71 HA3 GLY 71 16.581 -7.714 -21.419 626 H GLN 72 H GLN 72 18.500 -9.326 -22.713 627 HA GLN 72 HA GLN 72 20.966 -9.563 -21.264 628 HB2 GLN 72 HB2 GLN 72 20.215 -9.962 -24.185 629 HB3 GLN 72 HB3 GLN 72 21.857 -10.190 -23.608 630 HG2 GLN 72 HG2 GLN 72 20.744 -12.332 -23.803 631 HG3 GLN 72 HG3 GLN 72 21.091 -11.996 -22.111 632 HE21 GLN 72 HE21 GLN 72 19.347 -11.667 -20.677 633 HE22 GLN 72 HE22 GLN 72 17.722 -12.063 -21.100 634 H MET 73 H MET 73 23.058 -8.756 -22.357 635 HA MET 73 HA MET 73 23.199 -5.920 -22.218 636 HB2 MET 73 HB2 MET 73 25.306 -7.826 -23.338 637 HB3 MET 73 HB3 MET 73 25.579 -6.182 -22.783 638 HG2 MET 73 HG2 MET 73 25.043 -6.877 -20.477 639 HG3 MET 73 HG3 MET 73 24.774 -8.530 -21.044 640 HE1 MET 73 HE1 MET 73 26.572 -9.602 -19.389 641 HE2 MET 73 HE2 MET 73 26.793 -8.004 -18.675 642 HE3 MET 73 HE3 MET 73 28.196 -8.951 -19.170 643 H GLN 74 H GLN 74 21.895 -4.946 -23.795 644 HA GLN 74 HA GLN 74 22.111 -5.599 -26.602 645 HB2 GLN 74 HB2 GLN 74 20.713 -3.267 -26.715 646 HB3 GLN 74 HB3 GLN 74 19.983 -4.815 -26.376 647 HG2 GLN 74 HG2 GLN 74 19.067 -3.140 -24.900 648 HG3 GLN 74 HG3 GLN 74 19.998 -4.307 -23.962 649 HE21 GLN 74 HE21 GLN 74 19.879 -1.003 -25.130 650 HE22 GLN 74 HE22 GLN 74 21.074 -0.380 -24.053 651 H GLN 75 H GLN 75 23.818 -5.065 -27.809 652 HA GLN 75 HA GLN 75 25.824 -3.209 -27.014 653 HB2 GLN 75 HB2 GLN 75 26.367 -5.222 -28.305 654 HB3 GLN 75 HB3 GLN 75 25.423 -4.637 -29.671 655 HG2 GLN 75 HG2 GLN 75 27.023 -2.693 -29.848 656 HG3 GLN 75 HG3 GLN 75 28.006 -3.455 -28.599 657 HE21 GLN 75 HE21 GLN 75 28.606 -2.815 -31.418 658 HE22 GLN 75 HE22 GLN 75 29.108 -4.297 -32.139 Start of MODEL 17 1 H1 SER 1 H1 SER 1 20.449 27.603 2.788 2 H2 SER 1 H2 SER 1 21.438 26.598 1.854 3 H3 SER 1 H3 SER 1 21.308 28.240 1.475 4 HA SER 1 HA SER 1 22.357 28.846 3.561 5 HB2 SER 1 HB2 SER 1 21.562 26.825 4.822 6 HB3 SER 1 HB3 SER 1 22.708 25.831 3.921 7 HG SER 1 HG SER 1 23.218 26.875 6.157 8 H HIS 2 H HIS 2 24.936 27.888 4.037 9 HA HIS 2 HA HIS 2 26.451 28.542 1.770 10 HB2 HIS 2 HB2 HIS 2 27.322 26.873 4.171 11 HB3 HIS 2 HB3 HIS 2 28.401 27.691 3.044 12 HD1 HIS 2 HD1 HIS 2 26.409 28.237 6.094 13 HD2 HIS 2 HD2 HIS 2 28.334 30.594 3.257 14 HE1 HIS 2 HE1 HIS 2 26.574 30.519 7.122 15 HE2 HIS 2 HE2 HIS 2 27.572 31.961 5.324 16 H MET 3 H MET 3 27.447 27.357 0.157 17 HA MET 3 HA MET 3 27.637 25.818 -1.492 18 HB2 MET 3 HB2 MET 3 27.192 23.729 0.682 19 HB3 MET 3 HB3 MET 3 27.833 23.410 -0.926 20 HG2 MET 3 HG2 MET 3 29.837 24.688 -0.423 21 HG3 MET 3 HG3 MET 3 29.169 25.184 1.134 22 HE1 MET 3 HE1 MET 3 32.070 23.977 1.073 23 HE2 MET 3 HE2 MET 3 31.992 22.796 2.378 24 HE3 MET 3 HE3 MET 3 31.221 24.373 2.570 25 H SER 4 H SER 4 26.389 23.759 -2.504 26 HA SER 4 HA SER 4 24.587 23.116 -3.704 27 HB2 SER 4 HB2 SER 4 23.840 22.178 -1.553 28 HB3 SER 4 HB3 SER 4 23.030 23.690 -1.150 29 HG SER 4 HG SER 4 21.447 22.480 -1.995 30 H ASN 5 H ASN 5 24.626 24.736 -5.268 31 HA ASN 5 HA ASN 5 23.334 27.315 -4.833 32 HB2 ASN 5 HB2 ASN 5 24.802 26.189 -7.251 33 HB3 ASN 5 HB3 ASN 5 24.215 27.847 -7.123 34 HD21 ASN 5 HD21 ASN 5 26.947 26.897 -7.494 35 HD22 ASN 5 HD22 ASN 5 27.858 27.529 -6.172 36 H LYS 6 H LYS 6 21.965 28.240 -6.660 37 HA LYS 6 HA LYS 6 19.581 26.744 -7.067 38 HB2 LYS 6 HB2 LYS 6 20.532 29.320 -8.394 39 HB3 LYS 6 HB3 LYS 6 18.893 28.685 -8.507 40 HG2 LYS 6 HG2 LYS 6 18.562 29.000 -6.106 41 HG3 LYS 6 HG3 LYS 6 20.240 29.510 -5.910 42 HD2 LYS 6 HD2 LYS 6 18.777 31.465 -5.906 43 HD3 LYS 6 HD3 LYS 6 19.800 31.491 -7.342 44 HE2 LYS 6 HE2 LYS 6 17.897 30.621 -8.691 45 HE3 LYS 6 HE3 LYS 6 16.881 30.624 -7.248 46 HZ1 LYS 6 HZ1 LYS 6 17.141 33.010 -7.109 47 HZ2 LYS 6 HZ2 LYS 6 16.524 32.582 -8.623 48 HZ3 LYS 6 HZ3 LYS 6 18.151 33.017 -8.462 49 H GLY 7 H GLY 7 19.699 24.917 -8.288 50 HA2 GLY 7 HA2 GLY 7 20.200 25.158 -11.163 51 HA3 GLY 7 HA3 GLY 7 21.250 24.051 -10.286 52 H LYS 8 H LYS 8 19.405 23.386 -12.406 53 HA LYS 8 HA LYS 8 17.881 21.849 -13.041 54 HB2 LYS 8 HB2 LYS 8 18.267 20.681 -10.249 55 HB3 LYS 8 HB3 LYS 8 17.488 19.857 -11.600 56 HG2 LYS 8 HG2 LYS 8 19.617 19.887 -12.857 57 HG3 LYS 8 HG3 LYS 8 20.398 20.743 -11.526 58 HD2 LYS 8 HD2 LYS 8 20.988 18.381 -11.429 59 HD3 LYS 8 HD3 LYS 8 19.973 18.783 -10.042 60 HE2 LYS 8 HE2 LYS 8 18.019 17.789 -11.191 61 HE3 LYS 8 HE3 LYS 8 19.028 17.410 -12.587 62 HZ1 LYS 8 HZ1 LYS 8 19.482 16.338 -9.859 63 HZ2 LYS 8 HZ2 LYS 8 20.287 15.888 -11.278 64 HZ3 LYS 8 HZ3 LYS 8 18.652 15.525 -11.083 65 H LYS 9 H LYS 9 15.652 20.688 -12.198 66 HA LYS 9 HA LYS 9 13.930 22.906 -11.289 67 HB2 LYS 9 HB2 LYS 9 13.210 20.287 -12.677 68 HB3 LYS 9 HB3 LYS 9 12.026 21.459 -12.122 69 HG2 LYS 9 HG2 LYS 9 12.251 21.871 -14.438 70 HG3 LYS 9 HG3 LYS 9 13.164 23.159 -13.650 71 HD2 LYS 9 HD2 LYS 9 15.269 21.790 -14.061 72 HD3 LYS 9 HD3 LYS 9 14.284 20.674 -15.013 73 HE2 LYS 9 HE2 LYS 9 15.395 22.221 -16.518 74 HE3 LYS 9 HE3 LYS 9 13.669 22.584 -16.516 75 HZ1 LYS 9 HZ1 LYS 9 14.984 24.598 -16.410 76 HZ2 LYS 9 HZ2 LYS 9 15.759 24.064 -15.006 77 HZ3 LYS 9 HZ3 LYS 9 14.105 24.414 -14.975 78 H ARG 10 H ARG 10 13.266 19.425 -10.855 79 HA ARG 10 HA ARG 10 12.949 18.055 -9.101 80 HB2 ARG 10 HB2 ARG 10 15.331 18.866 -8.637 81 HB3 ARG 10 HB3 ARG 10 14.647 19.951 -7.436 82 HG2 ARG 10 HG2 ARG 10 13.824 18.027 -6.142 83 HG3 ARG 10 HG3 ARG 10 14.425 16.919 -7.379 84 HD2 ARG 10 HD2 ARG 10 16.757 17.801 -6.923 85 HD3 ARG 10 HD3 ARG 10 16.083 18.716 -5.570 86 HE ARG 10 HE ARG 10 15.808 16.746 -4.371 87 HH11 ARG 10 HH11 ARG 10 16.975 15.984 -7.560 88 HH12 ARG 10 HH12 ARG 10 17.334 14.345 -7.142 89 HH21 ARG 10 HH21 ARG 10 16.309 14.636 -3.888 90 HH22 ARG 10 HH22 ARG 10 16.972 13.605 -5.105 91 H ARG 11 H ARG 11 11.833 17.753 -6.959 92 HA ARG 11 HA ARG 11 10.344 18.170 -5.293 93 HB2 ARG 11 HB2 ARG 11 11.520 20.949 -5.566 94 HB3 ARG 11 HB3 ARG 11 10.349 20.555 -4.313 95 HG2 ARG 11 HG2 ARG 11 11.868 18.974 -3.290 96 HG3 ARG 11 HG3 ARG 11 12.995 19.105 -4.642 97 HD2 ARG 11 HD2 ARG 11 13.629 20.375 -2.518 98 HD3 ARG 11 HD3 ARG 11 13.659 21.302 -4.015 99 HE ARG 11 HE ARG 11 11.717 22.445 -3.351 100 HH11 ARG 11 HH11 ARG 11 12.725 20.262 -0.855 101 HH12 ARG 11 HH12 ARG 11 11.842 21.100 0.370 102 HH21 ARG 11 HH21 ARG 11 10.601 23.483 -1.781 103 HH22 ARG 11 HH22 ARG 11 10.642 22.908 -0.152 104 H ASN 12 H ASN 12 9.337 18.217 -7.988 105 HA ASN 12 HA ASN 12 7.011 20.057 -7.788 106 HB2 ASN 12 HB2 ASN 12 6.967 20.058 -10.286 107 HB3 ASN 12 HB3 ASN 12 8.449 20.733 -9.633 108 HD21 ASN 12 HD21 ASN 12 10.393 19.612 -9.908 109 HD22 ASN 12 HD22 ASN 12 10.558 18.285 -11.003 110 H ARG 13 H ARG 13 5.041 19.302 -8.954 111 HA ARG 13 HA ARG 13 3.326 17.916 -9.368 112 HB2 ARG 13 HB2 ARG 13 4.691 16.872 -11.074 113 HB3 ARG 13 HB3 ARG 13 5.521 15.881 -9.887 114 HG2 ARG 13 HG2 ARG 13 3.955 14.515 -11.137 115 HG3 ARG 13 HG3 ARG 13 3.431 14.631 -9.457 116 HD2 ARG 13 HD2 ARG 13 1.758 16.341 -10.109 117 HD3 ARG 13 HD3 ARG 13 2.274 16.193 -11.795 118 HE ARG 13 HE ARG 13 1.642 13.670 -11.256 119 HH11 ARG 13 HH11 ARG 13 -0.179 16.519 -10.486 120 HH12 ARG 13 HH12 ARG 13 -1.684 15.679 -10.585 121 HH21 ARG 13 HH21 ARG 13 -0.294 12.656 -11.356 122 HH22 ARG 13 HH22 ARG 13 -1.749 13.545 -11.068 123 H THR 14 H THR 14 2.087 17.693 -7.623 124 HA THR 14 HA THR 14 2.806 16.209 -5.256 125 HB THR 14 HB THR 14 0.475 16.663 -4.494 126 HG1 THR 14 HG1 THR 14 -0.695 16.581 -6.399 127 HG21 THR 14 HG21 THR 14 0.591 19.134 -4.441 128 HG22 THR 14 HG22 THR 14 1.812 19.111 -5.714 129 HG23 THR 14 HG23 THR 14 2.177 18.422 -4.130 130 H THR 15 H THR 15 2.987 14.039 -5.394 131 HA THR 15 HA THR 15 0.933 12.458 -6.847 132 HB THR 15 HB THR 15 3.811 11.631 -6.250 133 HG1 THR 15 HG1 THR 15 4.017 13.060 -7.877 134 HG21 THR 15 HG21 THR 15 3.362 9.761 -7.828 135 HG22 THR 15 HG22 THR 15 1.676 10.270 -7.952 136 HG23 THR 15 HG23 THR 15 2.309 9.676 -6.414 137 H PHE 16 H PHE 16 3.324 11.559 -4.292 138 HA PHE 16 HA PHE 16 1.077 10.603 -2.599 139 HB2 PHE 16 HB2 PHE 16 3.888 9.436 -2.815 140 HB3 PHE 16 HB3 PHE 16 2.668 8.902 -1.666 141 HD1 PHE 16 HD1 PHE 16 0.258 8.441 -3.002 142 HD2 PHE 16 HD2 PHE 16 4.197 7.924 -4.591 143 HE1 PHE 16 HE1 PHE 16 -0.602 6.802 -4.620 144 HE2 PHE 16 HE2 PHE 16 3.321 6.289 -6.209 145 HZ PHE 16 HZ PHE 16 0.921 5.728 -6.228 146 H THR 17 H THR 17 0.937 11.443 -0.578 147 HA THR 17 HA THR 17 2.776 13.521 0.282 148 HB THR 17 HB THR 17 1.251 13.955 2.110 149 HG1 THR 17 HG1 THR 17 -0.659 12.409 2.255 150 HG21 THR 17 HG21 THR 17 0.421 14.723 -0.088 151 HG22 THR 17 HG22 THR 17 -0.919 14.257 0.962 152 HG23 THR 17 HG23 THR 17 -0.395 13.175 -0.330 153 H SER 18 H SER 18 3.509 13.528 2.658 154 HA SER 18 HA SER 18 5.294 11.383 3.147 155 HB2 SER 18 HB2 SER 18 4.350 13.568 5.043 156 HB3 SER 18 HB3 SER 18 5.760 12.538 5.300 157 HG SER 18 HG SER 18 6.856 13.775 4.015 158 H TYR 19 H TYR 19 2.116 12.166 4.597 159 HA TYR 19 HA TYR 19 2.008 10.083 6.516 160 HB2 TYR 19 HB2 TYR 19 0.456 11.959 6.656 161 HB3 TYR 19 HB3 TYR 19 -0.233 11.570 5.084 162 HD1 TYR 19 HD2 TYR 19 0.008 10.397 8.624 163 HD2 TYR 19 HD1 TYR 19 -1.998 9.911 4.885 164 HE1 TYR 19 HE2 TYR 19 -1.655 8.937 9.697 165 HE2 TYR 19 HE1 TYR 19 -3.646 8.446 5.953 166 HH TYR 19 HH TYR 19 -3.772 6.968 7.968 167 H GLN 20 H GLN 20 0.915 10.212 3.107 168 HA GLN 20 HA GLN 20 -0.266 7.642 2.982 169 HB2 GLN 20 HB2 GLN 20 0.988 9.321 0.772 170 HB3 GLN 20 HB3 GLN 20 0.106 7.820 0.480 171 HG2 GLN 20 HG2 GLN 20 -1.911 8.828 1.516 172 HG3 GLN 20 HG3 GLN 20 -1.026 10.336 1.732 173 HE21 GLN 20 HE21 GLN 20 -3.447 9.846 0.227 174 HE22 GLN 20 HE22 GLN 20 -3.135 10.319 -1.397 175 H LEU 21 H LEU 21 3.074 8.682 2.215 176 HA LEU 21 HA LEU 21 4.077 6.143 1.482 177 HB2 LEU 21 HB2 LEU 21 5.514 8.581 2.578 178 HB3 LEU 21 HB3 LEU 21 6.348 7.157 1.964 179 HG LEU 21 HG LEU 21 4.548 9.007 0.346 180 HD11 LEU 21 HD11 LEU 21 7.550 8.626 0.217 181 HD12 LEU 21 HD12 LEU 21 6.701 10.026 0.881 182 HD13 LEU 21 HD13 LEU 21 6.579 9.661 -0.837 183 HD21 LEU 21 HD21 LEU 21 6.095 6.559 -0.575 184 HD22 LEU 21 HD22 LEU 21 5.240 7.695 -1.624 185 HD23 LEU 21 HD23 LEU 21 4.339 6.715 -0.473 186 H GLU 22 H GLU 22 3.607 7.584 4.702 187 HA GLU 22 HA GLU 22 5.016 5.628 6.216 188 HB2 GLU 22 HB2 GLU 22 2.533 7.236 6.954 189 HB3 GLU 22 HB3 GLU 22 3.386 6.190 8.082 190 HG2 GLU 22 HG2 GLU 22 5.423 7.612 7.746 191 HG3 GLU 22 HG3 GLU 22 4.443 8.704 6.774 192 H GLU 23 H GLU 23 1.522 5.823 5.395 193 HA GLU 23 HA GLU 23 0.769 3.401 6.644 194 HB2 GLU 23 HB2 GLU 23 -0.677 4.786 4.357 195 HB3 GLU 23 HB3 GLU 23 -1.383 3.653 5.509 196 HG2 GLU 23 HG2 GLU 23 -0.341 6.441 6.113 197 HG3 GLU 23 HG3 GLU 23 -2.031 5.957 6.011 198 H LEU 24 H LEU 24 1.511 4.106 3.245 199 HA LEU 24 HA LEU 24 0.986 1.632 2.042 200 HB2 LEU 24 HB2 LEU 24 3.010 3.793 1.366 201 HB3 LEU 24 HB3 LEU 24 2.714 2.417 0.318 202 HG LEU 24 HG LEU 24 0.542 4.416 1.079 203 HD11 LEU 24 HD11 LEU 24 2.299 5.616 -0.128 204 HD12 LEU 24 HD12 LEU 24 0.847 5.465 -1.115 205 HD13 LEU 24 HD13 LEU 24 2.242 4.429 -1.436 206 HD21 LEU 24 HD21 LEU 24 -0.679 3.479 -0.832 207 HD22 LEU 24 HD22 LEU 24 -0.294 2.225 0.342 208 HD23 LEU 24 HD23 LEU 24 0.644 2.350 -1.147 209 H GLU 25 H GLU 25 4.079 2.859 3.437 210 HA GLU 25 HA GLU 25 5.523 0.416 3.118 211 HB2 GLU 25 HB2 GLU 25 6.027 2.992 4.561 212 HB3 GLU 25 HB3 GLU 25 6.933 1.600 5.130 213 HG2 GLU 25 HG2 GLU 25 6.925 2.540 2.253 214 HG3 GLU 25 HG3 GLU 25 8.117 3.047 3.447 215 H LYS 26 H LYS 26 3.493 1.635 5.767 216 HA LYS 26 HA LYS 26 4.277 -0.177 7.789 217 HB2 LYS 26 HB2 LYS 26 1.688 1.351 7.372 218 HB3 LYS 26 HB3 LYS 26 1.955 0.333 8.787 219 HG2 LYS 26 HG2 LYS 26 3.796 1.719 9.518 220 HG3 LYS 26 HG3 LYS 26 3.741 2.663 8.025 221 HD2 LYS 26 HD2 LYS 26 1.461 3.462 8.634 222 HD3 LYS 26 HD3 LYS 26 1.560 2.550 10.147 223 HE2 LYS 26 HE2 LYS 26 3.426 3.938 10.893 224 HE3 LYS 26 HE3 LYS 26 3.464 4.784 9.347 225 HZ1 LYS 26 HZ1 LYS 26 1.277 5.665 9.812 226 HZ2 LYS 26 HZ2 LYS 26 2.351 6.052 11.065 227 HZ3 LYS 26 HZ3 LYS 26 1.214 4.831 11.283 228 H VAL 27 H VAL 27 1.618 -0.367 5.416 229 HA VAL 27 HA VAL 27 0.732 -2.982 6.149 230 HB VAL 27 HB VAL 27 0.344 -1.413 3.563 231 HG11 VAL 27 HG11 VAL 27 -1.556 -2.947 3.078 232 HG12 VAL 27 HG12 VAL 27 -1.100 -3.940 4.463 233 HG13 VAL 27 HG13 VAL 27 -0.008 -3.800 3.084 234 HG21 VAL 27 HG21 VAL 27 -1.902 -0.903 4.480 235 HG22 VAL 27 HG22 VAL 27 -0.629 -0.311 5.548 236 HG23 VAL 27 HG23 VAL 27 -1.504 -1.790 5.957 237 H PHE 28 H PHE 28 3.222 -1.802 3.879 238 HA PHE 28 HA PHE 28 3.897 -4.325 2.717 239 HB2 PHE 28 HB2 PHE 28 4.542 -2.042 1.811 240 HB3 PHE 28 HB3 PHE 28 5.728 -1.912 3.100 241 HD1 PHE 28 HD1 PHE 28 4.764 -4.203 0.274 242 HD2 PHE 28 HD2 PHE 28 7.952 -2.572 2.611 243 HE1 PHE 28 HE1 PHE 28 6.401 -5.283 -1.205 244 HE2 PHE 28 HE2 PHE 28 9.587 -3.664 1.128 245 HZ PHE 28 HZ PHE 28 8.812 -5.018 -0.781 246 H GLN 29 H GLN 29 4.776 -2.795 5.791 247 HA GLN 29 HA GLN 29 6.904 -4.625 6.487 248 HB2 GLN 29 HB2 GLN 29 5.234 -2.945 8.414 249 HB3 GLN 29 HB3 GLN 29 6.793 -3.689 8.747 250 HG2 GLN 29 HG2 GLN 29 6.207 -1.297 6.994 251 HG3 GLN 29 HG3 GLN 29 7.149 -1.351 8.475 252 HE21 GLN 29 HE21 GLN 29 7.156 -1.922 5.054 253 HE22 GLN 29 HE22 GLN 29 8.850 -2.196 4.896 254 H LYS 30 H LYS 30 3.455 -4.340 7.271 255 HA LYS 30 HA LYS 30 3.215 -6.596 8.995 256 HB2 LYS 30 HB2 LYS 30 1.095 -5.190 7.311 257 HB3 LYS 30 HB3 LYS 30 0.754 -6.334 8.609 258 HG2 LYS 30 HG2 LYS 30 1.686 -4.803 10.263 259 HG3 LYS 30 HG3 LYS 30 2.197 -3.688 8.993 260 HD2 LYS 30 HD2 LYS 30 -0.232 -3.394 8.369 261 HD3 LYS 30 HD3 LYS 30 -0.664 -4.390 9.765 262 HE2 LYS 30 HE2 LYS 30 0.818 -1.733 9.863 263 HE3 LYS 30 HE3 LYS 30 -0.877 -1.985 10.272 264 HZ1 LYS 30 HZ1 LYS 30 -0.177 -3.423 12.099 265 HZ2 LYS 30 HZ2 LYS 30 0.502 -1.876 12.247 266 HZ3 LYS 30 HZ3 LYS 30 1.448 -3.167 11.703 267 H THR 31 H THR 31 2.920 -6.175 5.504 268 HA THR 31 HA THR 31 3.389 -8.943 4.945 269 HB THR 31 HB THR 31 1.027 -9.234 5.381 270 HG1 THR 31 HG1 THR 31 0.350 -9.726 3.075 271 HG21 THR 31 HG21 THR 31 -0.761 -8.056 4.151 272 HG22 THR 31 HG22 THR 31 0.440 -7.046 3.345 273 HG23 THR 31 HG23 THR 31 0.205 -6.914 5.091 274 H HIS 32 H HIS 32 4.712 -8.927 3.213 275 HA HIS 32 HA HIS 32 5.073 -6.705 1.465 276 HB2 HIS 32 HB2 HIS 32 6.037 -9.585 1.193 277 HB3 HIS 32 HB3 HIS 32 6.557 -8.267 0.147 278 HD1 HIS 32 HD1 HIS 32 8.062 -10.103 2.571 279 HD2 HIS 32 HD2 HIS 32 7.389 -6.009 2.307 280 HE1 HIS 32 HE1 HIS 32 9.792 -9.040 4.048 281 HE2 HIS 32 HE2 HIS 32 9.246 -6.592 4.012 282 H TYR 33 H TYR 33 2.805 -9.272 1.415 283 HA TYR 33 HA TYR 33 1.775 -8.437 -1.240 284 HB2 TYR 33 HB2 TYR 33 1.827 -11.223 -0.009 285 HB3 TYR 33 HB3 TYR 33 0.771 -10.804 -1.353 286 HD1 TYR 33 HD1 TYR 33 4.310 -11.359 -0.360 287 HD2 TYR 33 HD2 TYR 33 1.660 -10.461 -3.591 288 HE1 TYR 33 HE1 TYR 33 6.117 -11.812 -1.971 289 HE2 TYR 33 HE2 TYR 33 3.457 -10.920 -5.194 290 HH TYR 33 HH TYR 33 6.357 -12.442 -4.370 291 HA PRO 34 HA PRO 34 -1.458 -7.172 1.891 292 HB2 PRO 34 HB2 PRO 34 -2.251 -5.552 -0.525 293 HB3 PRO 34 HB3 PRO 34 -2.136 -5.063 1.173 294 HG2 PRO 34 HG2 PRO 34 -0.249 -4.320 -0.548 295 HG3 PRO 34 HG3 PRO 34 0.207 -4.859 1.085 296 HD2 PRO 34 HD2 PRO 34 0.335 -6.387 -1.522 297 HD3 PRO 34 HD3 PRO 34 1.530 -6.306 -0.206 298 H ASP 35 H ASP 35 -3.157 -8.478 2.178 299 HA ASP 35 HA ASP 35 -4.477 -10.019 0.164 300 HB2 ASP 35 HB2 ASP 35 -5.419 -9.375 2.995 301 HB3 ASP 35 HB3 ASP 35 -5.970 -10.716 1.986 302 H VAL 36 H VAL 36 -6.966 -9.946 -0.042 303 HA VAL 36 HA VAL 36 -7.819 -7.627 -1.308 304 HB VAL 36 HB VAL 36 -8.863 -9.861 -1.615 305 HG11 VAL 36 HG11 VAL 36 -10.269 -9.373 1.043 306 HG12 VAL 36 HG12 VAL 36 -9.034 -10.597 0.722 307 HG13 VAL 36 HG13 VAL 36 -10.604 -10.702 -0.079 308 HG21 VAL 36 HG21 VAL 36 -10.037 -7.884 -2.489 309 HG22 VAL 36 HG22 VAL 36 -10.885 -7.681 -0.953 310 HG23 VAL 36 HG23 VAL 36 -11.196 -9.104 -1.952 311 H TYR 37 H TYR 37 -8.256 -8.548 2.088 312 HA TYR 37 HA TYR 37 -9.941 -6.291 2.754 313 HB2 TYR 37 HB2 TYR 37 -10.129 -8.524 3.898 314 HB3 TYR 37 HB3 TYR 37 -8.549 -8.251 4.624 315 HD1 TYR 37 HD2 TYR 37 -11.790 -6.386 4.241 316 HD2 TYR 37 HD1 TYR 37 -8.608 -7.508 6.866 317 HE1 TYR 37 HE2 TYR 37 -12.885 -5.180 6.090 318 HE2 TYR 37 HE1 TYR 37 -9.703 -6.309 8.711 319 HH TYR 37 HH TYR 37 -12.916 -5.164 8.519 320 H ALA 38 H ALA 38 -6.517 -7.133 3.083 321 HA ALA 38 HA ALA 38 -5.658 -4.962 4.691 322 HB1 ALA 38 HB1 ALA 38 -4.067 -6.524 2.631 323 HB2 ALA 38 HB2 ALA 38 -4.285 -6.971 4.325 324 HB3 ALA 38 HB3 ALA 38 -3.392 -5.506 3.910 325 H ARG 39 H ARG 39 -6.198 -5.228 1.206 326 HA ARG 39 HA ARG 39 -5.031 -2.700 0.465 327 HB2 ARG 39 HB2 ARG 39 -7.045 -4.436 -1.029 328 HB3 ARG 39 HB3 ARG 39 -6.169 -3.069 -1.724 329 HG2 ARG 39 HG2 ARG 39 -4.030 -4.274 -1.362 330 HG3 ARG 39 HG3 ARG 39 -4.923 -5.631 -0.677 331 HD2 ARG 39 HD2 ARG 39 -6.187 -5.567 -3.019 332 HD3 ARG 39 HD3 ARG 39 -4.719 -4.733 -3.542 333 HE ARG 39 HE ARG 39 -4.674 -7.399 -2.252 334 HH11 ARG 39 HH11 ARG 39 -3.543 -5.337 -4.799 335 HH12 ARG 39 HH12 ARG 39 -2.607 -6.594 -5.520 336 HH21 ARG 39 HH21 ARG 39 -3.490 -8.958 -3.183 337 HH22 ARG 39 HH22 ARG 39 -2.559 -8.625 -4.600 338 H GLU 40 H GLU 40 -8.284 -3.783 1.416 339 HA GLU 40 HA GLU 40 -9.677 -1.354 0.852 340 HB2 GLU 40 HB2 GLU 40 -10.327 -3.569 2.840 341 HB3 GLU 40 HB3 GLU 40 -11.430 -2.257 2.415 342 HG2 GLU 40 HG2 GLU 40 -10.358 -4.363 0.505 343 HG3 GLU 40 HG3 GLU 40 -11.960 -4.356 1.235 344 H GLN 41 H GLN 41 -8.144 -2.621 3.810 345 HA GLN 41 HA GLN 41 -8.649 -0.494 5.585 346 HB2 GLN 41 HB2 GLN 41 -6.309 -2.437 5.422 347 HB3 GLN 41 HB3 GLN 41 -6.531 -1.310 6.762 348 HG2 GLN 41 HG2 GLN 41 -8.665 -2.392 7.328 349 HG3 GLN 41 HG3 GLN 41 -8.467 -3.508 5.976 350 HE21 GLN 41 HE21 GLN 41 -8.643 -3.968 8.924 351 HE22 GLN 41 HE22 GLN 41 -7.253 -4.919 9.305 352 H LEU 42 H LEU 42 -5.858 -1.058 3.441 353 HA LEU 42 HA LEU 42 -4.459 1.328 4.095 354 HB2 LEU 42 HB2 LEU 42 -3.393 -0.688 3.164 355 HB3 LEU 42 HB3 LEU 42 -4.254 -0.463 1.653 356 HG LEU 42 HG LEU 42 -2.968 1.532 1.126 357 HD11 LEU 42 HD11 LEU 42 -1.650 1.243 3.844 358 HD12 LEU 42 HD12 LEU 42 -2.766 2.519 3.350 359 HD13 LEU 42 HD13 LEU 42 -1.187 2.390 2.584 360 HD21 LEU 42 HD21 LEU 42 -0.721 0.569 0.925 361 HD22 LEU 42 HD22 LEU 42 -1.954 -0.634 0.555 362 HD23 LEU 42 HD23 LEU 42 -1.128 -0.671 2.115 363 H ALA 43 H ALA 43 -6.843 0.563 1.587 364 HA ALA 43 HA ALA 43 -6.657 2.859 -0.024 365 HB1 ALA 43 HB1 ALA 43 -8.913 2.297 -0.809 366 HB2 ALA 43 HB2 ALA 43 -9.141 1.208 0.565 367 HB3 ALA 43 HB3 ALA 43 -7.926 0.842 -0.661 368 H MET 44 H MET 44 -8.593 2.324 2.955 369 HA MET 44 HA MET 44 -9.745 4.990 2.855 370 HB2 MET 44 HB2 MET 44 -10.788 4.415 5.051 371 HB3 MET 44 HB3 MET 44 -11.166 3.290 3.758 372 HG2 MET 44 HG2 MET 44 -10.842 2.014 5.741 373 HG3 MET 44 HG3 MET 44 -9.433 1.736 4.723 374 HE1 MET 44 HE1 MET 44 -10.823 3.452 7.978 375 HE2 MET 44 HE2 MET 44 -10.230 4.864 7.099 376 HE3 MET 44 HE3 MET 44 -9.407 4.329 8.563 377 H ARG 45 H ARG 45 -6.997 3.503 4.506 378 HA ARG 45 HA ARG 45 -6.403 5.577 6.354 379 HB2 ARG 45 HB2 ARG 45 -4.555 3.590 4.974 380 HB3 ARG 45 HB3 ARG 45 -4.006 4.694 6.228 381 HG2 ARG 45 HG2 ARG 45 -6.238 2.699 6.704 382 HG3 ARG 45 HG3 ARG 45 -4.539 2.286 6.920 383 HD2 ARG 45 HD2 ARG 45 -5.414 2.845 9.081 384 HD3 ARG 45 HD3 ARG 45 -4.365 4.172 8.589 385 HE ARG 45 HE ARG 45 -6.870 4.987 7.846 386 HH11 ARG 45 HH11 ARG 45 -5.569 3.899 10.854 387 HH12 ARG 45 HH12 ARG 45 -6.606 4.916 11.788 388 HH21 ARG 45 HH21 ARG 45 -8.187 6.272 9.082 389 HH22 ARG 45 HH22 ARG 45 -8.055 6.240 10.802 390 H THR 46 H THR 46 -5.230 5.072 3.015 391 HA THR 46 HA THR 46 -3.772 7.627 3.013 392 HB THR 46 HB THR 46 -2.892 6.871 0.801 393 HG1 THR 46 HG1 THR 46 -3.873 4.284 1.090 394 HG21 THR 46 HG21 THR 46 -2.626 4.767 2.975 395 HG22 THR 46 HG22 THR 46 -1.662 6.243 2.846 396 HG23 THR 46 HG23 THR 46 -1.533 4.991 1.606 397 H ASP 47 H ASP 47 -6.816 6.434 1.912 398 HA ASP 47 HA ASP 47 -8.507 7.198 0.627 399 HB2 ASP 47 HB2 ASP 47 -7.927 9.436 1.774 400 HB3 ASP 47 HB3 ASP 47 -7.066 9.865 0.305 401 H LEU 48 H LEU 48 -5.842 6.119 -0.488 402 HA LEU 48 HA LEU 48 -5.970 6.895 -3.314 403 HB2 LEU 48 HB2 LEU 48 -4.268 4.801 -1.894 404 HB3 LEU 48 HB3 LEU 48 -4.109 5.249 -3.589 405 HG LEU 48 HG LEU 48 -3.584 7.120 -1.240 406 HD11 LEU 48 HD11 LEU 48 -1.918 5.337 -1.307 407 HD12 LEU 48 HD12 LEU 48 -1.201 6.875 -1.781 408 HD13 LEU 48 HD13 LEU 48 -1.592 5.668 -3.012 409 HD21 LEU 48 HD21 LEU 48 -3.073 7.524 -4.210 410 HD22 LEU 48 HD22 LEU 48 -2.607 8.635 -2.918 411 HD23 LEU 48 HD23 LEU 48 -4.311 8.335 -3.243 412 H THR 49 H THR 49 -6.768 5.537 -4.970 413 HA THR 49 HA THR 49 -8.684 3.512 -4.369 414 HB THR 49 HB THR 49 -8.742 3.029 -6.796 415 HG1 THR 49 HG1 THR 49 -7.156 4.724 -7.930 416 HG21 THR 49 HG21 THR 49 -9.989 5.018 -6.027 417 HG22 THR 49 HG22 THR 49 -9.340 5.266 -7.650 418 HG23 THR 49 HG23 THR 49 -8.551 6.020 -6.263 419 H GLU 50 H GLU 50 -8.576 1.208 -5.012 420 HA GLU 50 HA GLU 50 -6.381 -0.253 -4.080 421 HB2 GLU 50 HB2 GLU 50 -8.701 -1.156 -4.405 422 HB3 GLU 50 HB3 GLU 50 -8.448 -1.138 -6.147 423 HG2 GLU 50 HG2 GLU 50 -6.480 -2.740 -5.726 424 HG3 GLU 50 HG3 GLU 50 -7.093 -2.892 -4.083 425 H ALA 51 H ALA 51 -7.152 0.854 -7.347 426 HA ALA 51 HA ALA 51 -5.041 -0.416 -8.771 427 HB1 ALA 51 HB1 ALA 51 -7.080 0.423 -9.864 428 HB2 ALA 51 HB2 ALA 51 -5.634 1.119 -10.598 429 HB3 ALA 51 HB3 ALA 51 -6.609 2.080 -9.483 430 H ARG 52 H ARG 52 -5.228 2.694 -7.051 431 HA ARG 52 HA ARG 52 -2.726 3.737 -8.057 432 HB2 ARG 52 HB2 ARG 52 -4.709 5.108 -7.145 433 HB3 ARG 52 HB3 ARG 52 -4.165 4.658 -5.534 434 HG2 ARG 52 HG2 ARG 52 -3.343 6.869 -6.070 435 HG3 ARG 52 HG3 ARG 52 -1.973 5.758 -5.995 436 HD2 ARG 52 HD2 ARG 52 -1.849 5.659 -8.418 437 HD3 ARG 52 HD3 ARG 52 -3.347 6.584 -8.579 438 HE ARG 52 HE ARG 52 -1.258 7.970 -7.152 439 HH11 ARG 52 HH11 ARG 52 -2.537 7.349 -10.320 440 HH12 ARG 52 HH12 ARG 52 -1.887 8.809 -10.973 441 HH21 ARG 52 HH21 ARG 52 -0.473 9.835 -8.010 442 HH22 ARG 52 HH22 ARG 52 -0.724 10.197 -9.681 443 H VAL 53 H VAL 53 -3.768 2.234 -5.014 444 HA VAL 53 HA VAL 53 -1.346 1.969 -3.641 445 HB VAL 53 HB VAL 53 -3.818 0.175 -3.688 446 HG11 VAL 53 HG11 VAL 53 -1.962 -1.189 -2.847 447 HG12 VAL 53 HG12 VAL 53 -3.063 -0.786 -1.527 448 HG13 VAL 53 HG13 VAL 53 -1.529 0.072 -1.690 449 HG21 VAL 53 HG21 VAL 53 -4.411 1.309 -1.568 450 HG22 VAL 53 HG22 VAL 53 -4.243 2.470 -2.887 451 HG23 VAL 53 HG23 VAL 53 -2.955 2.306 -1.690 452 H GLN 54 H GLN 54 -2.797 -0.073 -6.164 453 HA GLN 54 HA GLN 54 -0.978 -2.195 -6.276 454 HB2 GLN 54 HB2 GLN 54 -3.119 -2.174 -7.512 455 HB3 GLN 54 HB3 GLN 54 -2.514 -0.907 -8.571 456 HG2 GLN 54 HG2 GLN 54 -0.784 -2.487 -9.427 457 HG3 GLN 54 HG3 GLN 54 -1.462 -3.756 -8.405 458 HE21 GLN 54 HE21 GLN 54 -1.990 -5.065 -10.167 459 HE22 GLN 54 HE22 GLN 54 -3.252 -4.681 -11.277 460 H VAL 55 H VAL 55 -0.906 0.898 -8.108 461 HA VAL 55 HA VAL 55 1.378 0.506 -9.663 462 HB VAL 55 HB VAL 55 0.380 3.136 -8.476 463 HG11 VAL 55 HG11 VAL 55 2.307 2.705 -10.799 464 HG12 VAL 55 HG12 VAL 55 2.702 3.427 -9.236 465 HG13 VAL 55 HG13 VAL 55 1.602 4.258 -10.338 466 HG21 VAL 55 HG21 VAL 55 -1.321 2.005 -9.852 467 HG22 VAL 55 HG22 VAL 55 -0.176 1.876 -11.188 468 HG23 VAL 55 HG23 VAL 55 -0.738 3.463 -10.656 469 H TRP 56 H TRP 56 1.190 1.974 -6.404 470 HA TRP 56 HA TRP 56 3.928 2.555 -6.068 471 HB2 TRP 56 HB2 TRP 56 2.040 3.450 -4.633 472 HB3 TRP 56 HB3 TRP 56 1.952 1.879 -3.844 473 HD1 TRP 56 HD1 TRP 56 4.209 4.997 -4.077 474 HE1 TRP 56 HE1 TRP 56 5.817 5.009 -2.076 475 HE3 TRP 56 HE3 TRP 56 3.179 0.371 -2.149 476 HZ2 TRP 56 HZ2 TRP 56 6.560 3.319 0.042 477 HZ3 TRP 56 HZ3 TRP 56 4.378 -0.358 -0.130 478 HH2 TRP 56 HH2 TRP 56 6.033 1.082 0.944 479 H PHE 57 H PHE 57 2.029 -0.312 -5.026 480 HA PHE 57 HA PHE 57 4.236 -1.709 -3.861 481 HB2 PHE 57 HB2 PHE 57 1.385 -2.459 -4.511 482 HB3 PHE 57 HB3 PHE 57 2.523 -3.736 -4.093 483 HD1 PHE 57 HD2 PHE 57 0.729 -0.767 -2.807 484 HD2 PHE 57 HD1 PHE 57 3.415 -3.943 -1.832 485 HE1 PHE 57 HE2 PHE 57 0.430 -0.294 -0.419 486 HE2 PHE 57 HE1 PHE 57 3.102 -3.460 0.557 487 HZ PHE 57 HZ PHE 57 1.612 -1.638 1.268 488 H GLN 58 H GLN 58 3.103 -1.585 -7.194 489 HA GLN 58 HA GLN 58 4.492 -3.948 -8.071 490 HB2 GLN 58 HB2 GLN 58 3.444 -1.525 -9.576 491 HB3 GLN 58 HB3 GLN 58 4.286 -2.842 -10.387 492 HG2 GLN 58 HG2 GLN 58 1.706 -3.120 -8.808 493 HG3 GLN 58 HG3 GLN 58 1.828 -3.032 -10.564 494 HE21 GLN 58 HE21 GLN 58 2.632 -4.828 -11.701 495 HE22 GLN 58 HE22 GLN 58 2.784 -6.390 -10.978 496 H ASN 59 H ASN 59 5.315 -0.481 -7.979 497 HA ASN 59 HA ASN 59 8.031 -0.872 -8.903 498 HB2 ASN 59 HB2 ASN 59 6.614 1.535 -7.696 499 HB3 ASN 59 HB3 ASN 59 8.310 1.567 -8.177 500 HD21 ASN 59 HD21 ASN 59 5.028 1.584 -9.300 501 HD22 ASN 59 HD22 ASN 59 5.388 1.848 -10.965 502 H ARG 60 H ARG 60 6.454 -1.065 -5.800 503 HA ARG 60 HA ARG 60 8.844 -0.545 -4.235 504 HB2 ARG 60 HB2 ARG 60 6.557 0.020 -3.367 505 HB3 ARG 60 HB3 ARG 60 6.197 -1.703 -3.266 506 HG2 ARG 60 HG2 ARG 60 6.836 -0.836 -1.069 507 HG3 ARG 60 HG3 ARG 60 8.036 -2.002 -1.634 508 HD2 ARG 60 HD2 ARG 60 9.429 -0.046 -2.442 509 HD3 ARG 60 HD3 ARG 60 8.272 1.028 -1.655 510 HE ARG 60 HE ARG 60 8.985 0.223 0.449 511 HH11 ARG 60 HH11 ARG 60 10.877 -1.169 -2.103 512 HH12 ARG 60 HH12 ARG 60 12.241 -1.445 -1.080 513 HH21 ARG 60 HH21 ARG 60 10.739 -0.112 1.729 514 HH22 ARG 60 HH22 ARG 60 12.161 -0.859 1.076 515 H ARG 61 H ARG 61 6.815 -3.450 -4.838 516 HA ARG 61 HA ARG 61 8.466 -5.380 -3.630 517 HB2 ARG 61 HB2 ARG 61 6.496 -5.565 -5.933 518 HB3 ARG 61 HB3 ARG 61 7.321 -6.987 -5.300 519 HG2 ARG 61 HG2 ARG 61 6.250 -6.737 -3.148 520 HG3 ARG 61 HG3 ARG 61 5.578 -5.170 -3.606 521 HD2 ARG 61 HD2 ARG 61 3.918 -7.057 -3.679 522 HD3 ARG 61 HD3 ARG 61 4.083 -6.186 -5.209 523 HE ARG 61 HE ARG 61 5.386 -8.801 -4.671 524 HH11 ARG 61 HH11 ARG 61 3.642 -6.733 -6.855 525 HH12 ARG 61 HH12 ARG 61 3.649 -7.904 -8.121 526 HH21 ARG 61 HH21 ARG 61 5.387 -10.264 -6.315 527 HH22 ARG 61 HH22 ARG 61 4.641 -9.874 -7.830 528 H ALA 62 H ALA 62 8.581 -3.969 -6.898 529 HA ALA 62 HA ALA 62 10.758 -5.462 -7.933 530 HB1 ALA 62 HB1 ALA 62 9.333 -4.038 -9.348 531 HB2 ALA 62 HB2 ALA 62 11.032 -3.588 -9.523 532 HB3 ALA 62 HB3 ALA 62 9.949 -2.595 -8.539 533 H LYS 63 H LYS 63 10.759 -2.204 -6.431 534 HA LYS 63 HA LYS 63 13.484 -1.674 -6.255 535 HB2 LYS 63 HB2 LYS 63 11.738 -0.006 -5.864 536 HB3 LYS 63 HB3 LYS 63 11.199 -0.849 -4.418 537 HG2 LYS 63 HG2 LYS 63 13.305 -0.281 -3.288 538 HG3 LYS 63 HG3 LYS 63 13.886 0.518 -4.754 539 HD2 LYS 63 HD2 LYS 63 12.063 2.174 -4.590 540 HD3 LYS 63 HD3 LYS 63 11.432 1.359 -3.152 541 HE2 LYS 63 HE2 LYS 63 12.750 3.369 -2.573 542 HE3 LYS 63 HE3 LYS 63 13.483 1.906 -1.917 543 HZ1 LYS 63 HZ1 LYS 63 14.352 3.358 -4.364 544 HZ2 LYS 63 HZ2 LYS 63 15.039 1.923 -3.797 545 HZ3 LYS 63 HZ3 LYS 63 15.153 3.333 -2.875 546 H TRP 64 H TRP 64 11.528 -3.653 -4.150 547 HA TRP 64 HA TRP 64 13.420 -3.950 -1.987 548 HB2 TRP 64 HB2 TRP 64 11.029 -3.924 -1.524 549 HB3 TRP 64 HB3 TRP 64 10.755 -5.252 -2.640 550 HD1 TRP 64 HD1 TRP 64 12.216 -4.572 0.884 551 HE1 TRP 64 HE1 TRP 64 12.119 -6.768 2.218 552 HE3 TRP 64 HE3 TRP 64 10.679 -7.706 -2.843 553 HZ2 TRP 64 HZ2 TRP 64 11.476 -9.481 1.756 554 HZ3 TRP 64 HZ3 TRP 64 10.337 -10.099 -2.323 555 HH2 TRP 64 HH2 TRP 64 10.731 -10.963 -0.065 556 H ARG 65 H ARG 65 12.399 -5.847 -4.790 557 HA ARG 65 HA ARG 65 13.900 -8.248 -4.077 558 HB2 ARG 65 HB2 ARG 65 11.735 -8.477 -5.160 559 HB3 ARG 65 HB3 ARG 65 12.230 -7.440 -6.491 560 HG2 ARG 65 HG2 ARG 65 13.801 -9.175 -7.271 561 HG3 ARG 65 HG3 ARG 65 13.339 -10.212 -5.915 562 HD2 ARG 65 HD2 ARG 65 11.048 -10.354 -6.747 563 HD3 ARG 65 HD3 ARG 65 11.406 -9.205 -8.035 564 HE ARG 65 HE ARG 65 12.957 -10.924 -8.947 565 HH11 ARG 65 HH11 ARG 65 10.415 -12.007 -6.838 566 HH12 ARG 65 HH12 ARG 65 10.282 -13.537 -7.629 567 HH21 ARG 65 HH21 ARG 65 12.734 -12.871 -9.951 568 HH22 ARG 65 HH22 ARG 65 11.581 -14.022 -9.366 569 H LYS 66 H LYS 66 13.894 -6.174 -6.977 570 HA LYS 66 HA LYS 66 16.816 -6.065 -7.139 571 HB2 LYS 66 HB2 LYS 66 16.195 -8.109 -8.430 572 HB3 LYS 66 HB3 LYS 66 15.058 -7.174 -9.387 573 HG2 LYS 66 HG2 LYS 66 17.010 -7.512 -10.731 574 HG3 LYS 66 HG3 LYS 66 16.997 -5.816 -10.253 575 HD2 LYS 66 HD2 LYS 66 19.269 -6.694 -10.082 576 HD3 LYS 66 HD3 LYS 66 18.666 -6.329 -8.464 577 HE2 LYS 66 HE2 LYS 66 18.194 -8.721 -8.096 578 HE3 LYS 66 HE3 LYS 66 18.734 -9.093 -9.732 579 HZ1 LYS 66 HZ1 LYS 66 20.934 -8.315 -9.136 580 HZ2 LYS 66 HZ2 LYS 66 20.441 -9.561 -8.110 581 HZ3 LYS 66 HZ3 LYS 66 20.419 -7.963 -7.568 582 H ARG 67 H ARG 67 17.329 -3.961 -7.624 583 HA ARG 67 HA ARG 67 15.477 -1.926 -8.166 584 HB2 ARG 67 HB2 ARG 67 18.455 -1.935 -8.837 585 HB3 ARG 67 HB3 ARG 67 17.428 -0.504 -8.776 586 HG2 ARG 67 HG2 ARG 67 17.040 -0.920 -6.345 587 HG3 ARG 67 HG3 ARG 67 18.143 -2.299 -6.428 588 HD2 ARG 67 HD2 ARG 67 18.864 0.603 -6.997 589 HD3 ARG 67 HD3 ARG 67 19.268 -0.296 -5.531 590 HE ARG 67 HE ARG 67 20.343 -1.770 -7.597 591 HH11 ARG 67 HH11 ARG 67 20.771 1.507 -6.535 592 HH12 ARG 67 HH12 ARG 67 22.432 1.541 -7.006 593 HH21 ARG 67 HH21 ARG 67 22.457 -1.674 -8.205 594 HH22 ARG 67 HH22 ARG 67 23.371 -0.231 -7.942 595 H GLU 68 H GLU 68 14.135 -2.040 -9.859 596 HA GLU 68 HA GLU 68 14.526 -3.483 -12.230 597 HB2 GLU 68 HB2 GLU 68 12.322 -2.919 -11.159 598 HB3 GLU 68 HB3 GLU 68 12.509 -1.254 -11.687 599 HG2 GLU 68 HG2 GLU 68 12.463 -3.514 -13.695 600 HG3 GLU 68 HG3 GLU 68 10.964 -2.883 -13.023 601 H ARG 69 H ARG 69 15.224 -2.972 -14.264 602 HA ARG 69 HA ARG 69 16.069 -0.209 -14.885 603 HB2 ARG 69 HB2 ARG 69 18.026 -1.475 -13.976 604 HB3 ARG 69 HB3 ARG 69 17.833 -2.665 -15.256 605 HG2 ARG 69 HG2 ARG 69 19.652 -1.109 -15.778 606 HG3 ARG 69 HG3 ARG 69 18.347 -0.951 -16.956 607 HD2 ARG 69 HD2 ARG 69 19.245 1.255 -16.282 608 HD3 ARG 69 HD3 ARG 69 17.542 1.079 -15.841 609 HE ARG 69 HE ARG 69 19.607 0.532 -13.819 610 HH11 ARG 69 HH11 ARG 69 17.040 2.618 -14.893 611 HH12 ARG 69 HH12 ARG 69 16.944 3.428 -13.369 612 HH21 ARG 69 HH21 ARG 69 19.438 1.585 -11.904 613 HH22 ARG 69 HH22 ARG 69 18.277 2.854 -11.706 614 H PHE 70 H PHE 70 14.573 0.139 -16.500 615 HA PHE 70 HA PHE 70 14.552 -1.633 -18.848 616 HB2 PHE 70 HB2 PHE 70 12.677 -0.274 -19.672 617 HB3 PHE 70 HB3 PHE 70 12.353 -0.847 -18.044 618 HD1 PHE 70 HD1 PHE 70 12.208 0.741 -16.160 619 HD2 PHE 70 HD2 PHE 70 12.992 2.135 -20.130 620 HE1 PHE 70 HE1 PHE 70 11.660 3.039 -15.470 621 HE2 PHE 70 HE2 PHE 70 12.448 4.428 -19.427 622 HZ PHE 70 HZ PHE 70 11.782 4.881 -17.100 623 H GLY 71 H GLY 71 14.767 -0.611 -21.021 624 HA2 GLY 71 HA2 GLY 71 15.674 1.564 -22.076 625 HA3 GLY 71 HA3 GLY 71 17.070 1.265 -21.050 626 H GLN 72 H GLN 72 18.288 -0.736 -21.389 627 HA GLN 72 HA GLN 72 18.599 -1.451 -24.163 628 HB2 GLN 72 HB2 GLN 72 20.385 -2.950 -23.429 629 HB3 GLN 72 HB3 GLN 72 20.553 -1.387 -22.640 630 HG2 GLN 72 HG2 GLN 72 19.595 -2.341 -20.566 631 HG3 GLN 72 HG3 GLN 72 19.440 -3.907 -21.366 632 HE21 GLN 72 HE21 GLN 72 20.824 -4.954 -19.928 633 HE22 GLN 72 HE22 GLN 72 22.522 -4.666 -19.883 634 H MET 73 H MET 73 18.247 -3.479 -25.128 635 HA MET 73 HA MET 73 16.875 -5.077 -25.882 636 HB2 MET 73 HB2 MET 73 17.868 -6.473 -24.130 637 HB3 MET 73 HB3 MET 73 16.683 -5.906 -22.959 638 HG2 MET 73 HG2 MET 73 16.191 -8.174 -23.848 639 HG3 MET 73 HG3 MET 73 14.890 -7.017 -24.163 640 HE1 MET 73 HE1 MET 73 14.787 -9.657 -25.757 641 HE2 MET 73 HE2 MET 73 14.590 -9.099 -27.421 642 HE3 MET 73 HE3 MET 73 13.721 -8.299 -26.111 643 H GLN 74 H GLN 74 15.180 -4.002 -26.761 644 HA GLN 74 HA GLN 74 12.754 -3.544 -25.126 645 HB2 GLN 74 HB2 GLN 74 13.641 -1.538 -26.306 646 HB3 GLN 74 HB3 GLN 74 13.489 -2.370 -27.849 647 HG2 GLN 74 HG2 GLN 74 11.067 -2.425 -27.630 648 HG3 GLN 74 HG3 GLN 74 11.161 -1.746 -26.003 649 HE21 GLN 74 HE21 GLN 74 9.939 0.062 -26.464 650 HE22 GLN 74 HE22 GLN 74 10.464 1.329 -27.514 651 H GLN 75 H GLN 75 11.244 -5.072 -25.318 652 HA GLN 75 HA GLN 75 11.312 -7.150 -27.276 653 HB2 GLN 75 HB2 GLN 75 9.205 -7.956 -26.146 654 HB3 GLN 75 HB3 GLN 75 10.578 -7.728 -25.070 655 HG2 GLN 75 HG2 GLN 75 9.591 -5.568 -24.320 656 HG3 GLN 75 HG3 GLN 75 8.199 -5.870 -25.360 657 HE21 GLN 75 HE21 GLN 75 9.860 -6.826 -22.441 658 HE22 GLN 75 HE22 GLN 75 8.565 -7.751 -21.766 Start of MODEL 18 1 H1 SER 1 H1 SER 1 21.231 10.091 8.460 2 H2 SER 1 H2 SER 1 21.569 11.742 8.356 3 H3 SER 1 H3 SER 1 20.038 11.166 7.923 4 HA SER 1 HA SER 1 19.581 10.507 10.173 5 HB2 SER 1 HB2 SER 1 22.356 11.622 10.774 6 HB3 SER 1 HB3 SER 1 21.209 11.062 11.993 7 HG SER 1 HG SER 1 22.985 9.641 10.645 8 H HIS 2 H HIS 2 21.649 13.460 10.112 9 HA HIS 2 HA HIS 2 19.249 15.185 10.114 10 HB2 HIS 2 HB2 HIS 2 20.050 14.844 12.495 11 HB3 HIS 2 HB3 HIS 2 21.581 15.581 12.047 12 HD1 HIS 2 HD1 HIS 2 18.064 16.379 12.932 13 HD2 HIS 2 HD2 HIS 2 21.438 18.426 11.617 14 HE1 HIS 2 HE1 HIS 2 17.574 18.803 13.337 15 HE2 HIS 2 HE2 HIS 2 19.618 20.024 12.527 16 H MET 3 H MET 3 19.527 16.147 8.164 17 HA MET 3 HA MET 3 21.990 17.654 7.589 18 HB2 MET 3 HB2 MET 3 22.194 16.662 5.317 19 HB3 MET 3 HB3 MET 3 22.406 15.449 6.572 20 HG2 MET 3 HG2 MET 3 20.161 14.598 6.198 21 HG3 MET 3 HG3 MET 3 19.833 15.873 5.024 22 HE1 MET 3 HE1 MET 3 22.342 14.889 2.123 23 HE2 MET 3 HE2 MET 3 22.686 15.975 3.469 24 HE3 MET 3 HE3 MET 3 21.126 16.053 2.649 25 H SER 4 H SER 4 21.717 18.899 5.433 26 HA SER 4 HA SER 4 19.281 20.410 5.393 27 HB2 SER 4 HB2 SER 4 21.594 20.349 3.407 28 HB3 SER 4 HB3 SER 4 20.305 21.556 3.408 29 HG SER 4 HG SER 4 22.517 21.301 5.027 30 H ASN 5 H ASN 5 17.451 19.347 4.788 31 HA ASN 5 HA ASN 5 17.363 17.377 2.637 32 HB2 ASN 5 HB2 ASN 5 16.115 17.143 4.835 33 HB3 ASN 5 HB3 ASN 5 15.093 18.491 4.359 34 HD21 ASN 5 HD21 ASN 5 13.484 18.133 2.810 35 HD22 ASN 5 HD22 ASN 5 13.028 16.551 2.295 36 H LYS 6 H LYS 6 18.201 19.490 1.388 37 HA LYS 6 HA LYS 6 15.980 20.530 -0.260 38 HB2 LYS 6 HB2 LYS 6 18.176 22.253 0.983 39 HB3 LYS 6 HB3 LYS 6 17.127 22.804 -0.320 40 HG2 LYS 6 HG2 LYS 6 15.164 22.613 1.121 41 HG3 LYS 6 HG3 LYS 6 16.149 21.930 2.418 42 HD2 LYS 6 HD2 LYS 6 17.409 24.059 2.579 43 HD3 LYS 6 HD3 LYS 6 16.427 24.742 1.278 44 HE2 LYS 6 HE2 LYS 6 14.413 24.571 2.679 45 HE3 LYS 6 HE3 LYS 6 15.347 23.802 3.965 46 HZ1 LYS 6 HZ1 LYS 6 16.638 25.824 4.184 47 HZ2 LYS 6 HZ2 LYS 6 14.992 26.137 4.396 48 HZ3 LYS 6 HZ3 LYS 6 15.751 26.558 2.947 49 H GLY 7 H GLY 7 19.395 19.722 0.126 50 HA2 GLY 7 HA2 GLY 7 20.246 20.441 -2.544 51 HA3 GLY 7 HA3 GLY 7 21.183 19.602 -1.326 52 H LYS 8 H LYS 8 18.063 18.399 -2.448 53 HA LYS 8 HA LYS 8 19.375 16.180 -3.933 54 HB2 LYS 8 HB2 LYS 8 16.727 16.329 -2.434 55 HB3 LYS 8 HB3 LYS 8 17.005 15.092 -3.651 56 HG2 LYS 8 HG2 LYS 8 17.444 14.092 -1.539 57 HG3 LYS 8 HG3 LYS 8 19.005 14.324 -2.329 58 HD2 LYS 8 HD2 LYS 8 19.367 16.370 -0.934 59 HD3 LYS 8 HD3 LYS 8 17.827 16.067 -0.123 60 HE2 LYS 8 HE2 LYS 8 20.270 14.263 -0.079 61 HE3 LYS 8 HE3 LYS 8 19.685 15.264 1.249 62 HZ1 LYS 8 HZ1 LYS 8 18.293 12.930 0.049 63 HZ2 LYS 8 HZ2 LYS 8 17.632 13.926 1.242 64 HZ3 LYS 8 HZ3 LYS 8 19.007 13.004 1.579 65 H LYS 9 H LYS 9 16.907 18.706 -4.070 66 HA LYS 9 HA LYS 9 15.478 19.495 -5.609 67 HB2 LYS 9 HB2 LYS 9 17.574 18.542 -7.607 68 HB3 LYS 9 HB3 LYS 9 16.236 19.620 -7.995 69 HG2 LYS 9 HG2 LYS 9 18.524 20.227 -6.084 70 HG3 LYS 9 HG3 LYS 9 18.316 20.875 -7.714 71 HD2 LYS 9 HD2 LYS 9 16.200 21.984 -6.976 72 HD3 LYS 9 HD3 LYS 9 16.475 21.379 -5.339 73 HE2 LYS 9 HE2 LYS 9 17.180 23.723 -5.542 74 HE3 LYS 9 HE3 LYS 9 18.568 22.688 -5.210 75 HZ1 LYS 9 HZ1 LYS 9 17.805 23.718 -7.900 76 HZ2 LYS 9 HZ2 LYS 9 19.160 22.771 -7.545 77 HZ3 LYS 9 HZ3 LYS 9 19.044 24.336 -6.925 78 H ARG 10 H ARG 10 13.919 17.979 -4.959 79 HA ARG 10 HA ARG 10 13.571 15.452 -6.386 80 HB2 ARG 10 HB2 ARG 10 11.753 16.739 -4.297 81 HB3 ARG 10 HB3 ARG 10 11.759 15.049 -4.804 82 HG2 ARG 10 HG2 ARG 10 13.975 14.723 -3.781 83 HG3 ARG 10 HG3 ARG 10 14.041 16.434 -3.343 84 HD2 ARG 10 HD2 ARG 10 12.135 14.336 -2.256 85 HD3 ARG 10 HD3 ARG 10 13.422 15.170 -1.380 86 HE ARG 10 HE ARG 10 10.844 16.300 -2.225 87 HH11 ARG 10 HH11 ARG 10 13.752 16.736 -0.365 88 HH12 ARG 10 HH12 ARG 10 13.154 18.168 0.395 89 HH21 ARG 10 HH21 ARG 10 10.133 18.113 -1.238 90 HH22 ARG 10 HH22 ARG 10 11.137 18.937 -0.097 91 H ARG 11 H ARG 11 11.266 14.908 -7.173 92 HA ARG 11 HA ARG 11 10.418 16.645 -9.238 93 HB2 ARG 11 HB2 ARG 11 9.220 14.164 -7.997 94 HB3 ARG 11 HB3 ARG 11 8.267 15.092 -9.138 95 HG2 ARG 11 HG2 ARG 11 9.250 13.314 -10.367 96 HG3 ARG 11 HG3 ARG 11 10.110 14.775 -10.839 97 HD2 ARG 11 HD2 ARG 11 11.172 12.836 -8.758 98 HD3 ARG 11 HD3 ARG 11 11.518 12.667 -10.478 99 HE ARG 11 HE ARG 11 12.246 15.262 -9.678 100 HH11 ARG 11 HH11 ARG 11 13.311 12.018 -9.148 101 HH12 ARG 11 HH12 ARG 11 14.945 12.502 -8.873 102 HH21 ARG 11 HH21 ARG 11 14.340 15.830 -9.321 103 HH22 ARG 11 HH22 ARG 11 15.510 14.615 -8.963 104 H ASN 12 H ASN 12 8.744 15.878 -6.147 105 HA ASN 12 HA ASN 12 7.332 17.004 -4.795 106 HB2 ASN 12 HB2 ASN 12 8.933 19.344 -5.892 107 HB3 ASN 12 HB3 ASN 12 7.811 19.500 -4.540 108 HD21 ASN 12 HD21 ASN 12 10.769 19.840 -4.669 109 HD22 ASN 12 HD22 ASN 12 11.382 18.799 -3.435 110 H ARG 13 H ARG 13 6.455 16.698 -7.721 111 HA ARG 13 HA ARG 13 4.656 18.940 -8.185 112 HB2 ARG 13 HB2 ARG 13 4.283 18.060 -10.346 113 HB3 ARG 13 HB3 ARG 13 5.952 17.630 -10.014 114 HG2 ARG 13 HG2 ARG 13 3.589 15.733 -9.758 115 HG3 ARG 13 HG3 ARG 13 4.657 15.822 -11.153 116 HD2 ARG 13 HD2 ARG 13 6.542 15.052 -9.812 117 HD3 ARG 13 HD3 ARG 13 5.557 15.093 -8.345 118 HE ARG 13 HE ARG 13 4.524 13.140 -8.981 119 HH11 ARG 13 HH11 ARG 13 6.561 14.162 -11.606 120 HH12 ARG 13 HH12 ARG 13 6.279 12.714 -12.502 121 HH21 ARG 13 HH21 ARG 13 4.201 11.319 -10.145 122 HH22 ARG 13 HH22 ARG 13 4.966 11.127 -11.684 123 H THR 14 H THR 14 4.452 16.270 -6.244 124 HA THR 14 HA THR 14 2.833 15.375 -4.954 125 HB THR 14 HB THR 14 0.764 16.978 -6.527 126 HG1 THR 14 HG1 THR 14 1.523 18.552 -5.347 127 HG21 THR 14 HG21 THR 14 -0.278 15.016 -5.410 128 HG22 THR 14 HG22 THR 14 -0.776 16.531 -4.656 129 HG23 THR 14 HG23 THR 14 0.436 15.513 -3.874 130 H THR 15 H THR 15 2.571 13.270 -5.173 131 HA THR 15 HA THR 15 0.648 12.153 -7.090 132 HB THR 15 HB THR 15 3.459 10.966 -6.766 133 HG1 THR 15 HG1 THR 15 2.197 12.404 -8.849 134 HG21 THR 15 HG21 THR 15 2.754 9.279 -8.440 135 HG22 THR 15 HG22 THR 15 1.122 9.950 -8.434 136 HG23 THR 15 HG23 THR 15 1.765 9.176 -6.982 137 H PHE 16 H PHE 16 3.030 11.138 -4.606 138 HA PHE 16 HA PHE 16 0.827 10.263 -2.818 139 HB2 PHE 16 HB2 PHE 16 3.600 8.992 -3.028 140 HB3 PHE 16 HB3 PHE 16 2.356 8.542 -1.871 141 HD1 PHE 16 HD1 PHE 16 0.075 7.687 -2.921 142 HD2 PHE 16 HD2 PHE 16 3.803 7.731 -5.021 143 HE1 PHE 16 HE1 PHE 16 -0.749 5.930 -4.436 144 HE2 PHE 16 HE2 PHE 16 2.963 5.981 -6.533 145 HZ PHE 16 HZ PHE 16 0.690 5.072 -6.240 146 H THR 17 H THR 17 0.849 11.321 -0.860 147 HA THR 17 HA THR 17 2.943 13.215 -0.169 148 HB THR 17 HB THR 17 1.621 13.792 1.799 149 HG1 THR 17 HG1 THR 17 -0.410 12.534 2.143 150 HG21 THR 17 HG21 THR 17 0.787 14.705 -0.341 151 HG22 THR 17 HG22 THR 17 -0.538 14.408 0.783 152 HG23 THR 17 HG23 THR 17 -0.250 13.288 -0.547 153 H SER 18 H SER 18 3.896 13.203 2.113 154 HA SER 18 HA SER 18 5.429 10.913 2.655 155 HB2 SER 18 HB2 SER 18 6.014 13.171 3.526 156 HB3 SER 18 HB3 SER 18 4.643 13.103 4.634 157 HG SER 18 HG SER 18 5.644 11.425 5.739 158 H TYR 19 H TYR 19 2.505 12.077 4.361 159 HA TYR 19 HA TYR 19 2.024 10.076 6.192 160 HB2 TYR 19 HB2 TYR 19 0.664 12.077 6.164 161 HB3 TYR 19 HB3 TYR 19 0.059 11.723 4.550 162 HD1 TYR 19 HD2 TYR 19 -0.007 10.420 8.082 163 HD2 TYR 19 HD1 TYR 19 -1.994 10.527 4.291 164 HE1 TYR 19 HE2 TYR 19 -1.940 9.255 9.055 165 HE2 TYR 19 HE1 TYR 19 -3.918 9.359 5.265 166 HH TYR 19 HH TYR 19 -4.522 8.014 7.109 167 H GLN 20 H GLN 20 0.832 10.133 2.804 168 HA GLN 20 HA GLN 20 -0.510 7.653 2.799 169 HB2 GLN 20 HB2 GLN 20 0.760 9.170 0.481 170 HB3 GLN 20 HB3 GLN 20 -0.302 7.776 0.286 171 HG2 GLN 20 HG2 GLN 20 -2.139 9.005 1.364 172 HG3 GLN 20 HG3 GLN 20 -1.083 10.397 1.597 173 HE21 GLN 20 HE21 GLN 20 -3.595 10.270 0.146 174 HE22 GLN 20 HE22 GLN 20 -3.254 10.742 -1.476 175 H LEU 21 H LEU 21 2.808 8.422 1.686 176 HA LEU 21 HA LEU 21 3.672 5.883 0.889 177 HB2 LEU 21 HB2 LEU 21 5.216 8.239 2.030 178 HB3 LEU 21 HB3 LEU 21 6.019 6.808 1.400 179 HG LEU 21 HG LEU 21 4.185 8.589 -0.259 180 HD11 LEU 21 HD11 LEU 21 7.220 8.571 -0.190 181 HD12 LEU 21 HD12 LEU 21 6.164 9.856 0.406 182 HD13 LEU 21 HD13 LEU 21 6.206 9.485 -1.313 183 HD21 LEU 21 HD21 LEU 21 6.071 6.357 -1.101 184 HD22 LEU 21 HD22 LEU 21 5.131 7.383 -2.188 185 HD23 LEU 21 HD23 LEU 21 4.306 6.285 -1.089 186 H GLU 22 H GLU 22 3.687 7.319 4.140 187 HA GLU 22 HA GLU 22 5.286 5.277 5.389 188 HB2 GLU 22 HB2 GLU 22 3.494 7.435 6.580 189 HB3 GLU 22 HB3 GLU 22 4.543 6.388 7.535 190 HG2 GLU 22 HG2 GLU 22 6.519 7.304 6.444 191 HG3 GLU 22 HG3 GLU 22 5.514 8.288 5.382 192 H GLU 23 H GLU 23 1.757 5.911 5.268 193 HA GLU 23 HA GLU 23 0.956 3.645 6.820 194 HB2 GLU 23 HB2 GLU 23 -0.498 5.367 4.787 195 HB3 GLU 23 HB3 GLU 23 -1.293 4.022 5.593 196 HG2 GLU 23 HG2 GLU 23 -0.052 6.382 7.039 197 HG3 GLU 23 HG3 GLU 23 -1.758 6.268 6.609 198 H LEU 24 H LEU 24 1.506 4.086 3.340 199 HA LEU 24 HA LEU 24 0.640 1.562 2.392 200 HB2 LEU 24 HB2 LEU 24 2.721 3.516 1.351 201 HB3 LEU 24 HB3 LEU 24 2.283 2.062 0.474 202 HG LEU 24 HG LEU 24 0.250 4.223 1.161 203 HD11 LEU 24 HD11 LEU 24 0.507 5.066 -1.136 204 HD12 LEU 24 HD12 LEU 24 1.854 3.959 -1.403 205 HD13 LEU 24 HD13 LEU 24 1.992 5.248 -0.206 206 HD21 LEU 24 HD21 LEU 24 -1.082 3.194 -0.639 207 HD22 LEU 24 HD22 LEU 24 -0.722 2.031 0.633 208 HD23 LEU 24 HD23 LEU 24 0.174 1.975 -0.888 209 H GLU 25 H GLU 25 3.879 2.699 3.418 210 HA GLU 25 HA GLU 25 5.254 0.270 3.020 211 HB2 GLU 25 HB2 GLU 25 6.237 2.606 3.106 212 HB3 GLU 25 HB3 GLU 25 6.029 2.572 4.857 213 HG2 GLU 25 HG2 GLU 25 7.470 0.523 4.901 214 HG3 GLU 25 HG3 GLU 25 7.761 0.749 3.183 215 H LYS 26 H LYS 26 3.595 1.670 5.769 216 HA LYS 26 HA LYS 26 4.239 -0.021 7.888 217 HB2 LYS 26 HB2 LYS 26 2.973 1.927 8.317 218 HB3 LYS 26 HB3 LYS 26 1.808 1.559 7.060 219 HG2 LYS 26 HG2 LYS 26 0.901 -0.276 8.532 220 HG3 LYS 26 HG3 LYS 26 1.975 0.309 9.817 221 HD2 LYS 26 HD2 LYS 26 0.911 2.521 9.752 222 HD3 LYS 26 HD3 LYS 26 -0.081 2.041 8.376 223 HE2 LYS 26 HE2 LYS 26 -1.230 0.380 9.833 224 HE3 LYS 26 HE3 LYS 26 -0.276 0.956 11.203 225 HZ1 LYS 26 HZ1 LYS 26 -2.484 1.973 11.090 226 HZ2 LYS 26 HZ2 LYS 26 -2.106 2.647 9.583 227 HZ3 LYS 26 HZ3 LYS 26 -1.255 3.127 10.960 228 H VAL 27 H VAL 27 1.690 -0.443 5.401 229 HA VAL 27 HA VAL 27 0.959 -3.114 6.235 230 HB VAL 27 HB VAL 27 0.293 -1.601 3.672 231 HG11 VAL 27 HG11 VAL 27 -1.611 -3.187 3.413 232 HG12 VAL 27 HG12 VAL 27 -1.017 -4.115 4.792 233 HG13 VAL 27 HG13 VAL 27 -0.050 -4.015 3.319 234 HG21 VAL 27 HG21 VAL 27 -1.873 -1.088 4.753 235 HG22 VAL 27 HG22 VAL 27 -0.527 -0.428 5.685 236 HG23 VAL 27 HG23 VAL 27 -1.338 -1.901 6.226 237 H PHE 28 H PHE 28 3.309 -1.760 3.989 238 HA PHE 28 HA PHE 28 3.876 -4.110 2.458 239 HB2 PHE 28 HB2 PHE 28 4.431 -1.803 1.699 240 HB3 PHE 28 HB3 PHE 28 5.648 -1.682 2.963 241 HD1 PHE 28 HD1 PHE 28 4.743 -3.622 -0.109 242 HD2 PHE 28 HD2 PHE 28 7.890 -2.409 2.523 243 HE1 PHE 28 HE1 PHE 28 6.401 -4.532 -1.676 244 HE2 PHE 28 HE2 PHE 28 9.550 -3.324 0.947 245 HZ PHE 28 HZ PHE 28 8.804 -4.384 -1.152 246 H GLN 29 H GLN 29 5.142 -2.862 5.532 247 HA GLN 29 HA GLN 29 7.276 -4.763 5.849 248 HB2 GLN 29 HB2 GLN 29 5.796 -3.155 7.977 249 HB3 GLN 29 HB3 GLN 29 7.289 -4.046 8.241 250 HG2 GLN 29 HG2 GLN 29 6.924 -1.601 6.493 251 HG3 GLN 29 HG3 GLN 29 7.740 -1.666 8.050 252 HE21 GLN 29 HE21 GLN 29 8.797 -0.721 5.534 253 HE22 GLN 29 HE22 GLN 29 10.167 -1.704 5.163 254 H LYS 30 H LYS 30 3.848 -4.762 6.565 255 HA LYS 30 HA LYS 30 3.853 -7.224 8.107 256 HB2 LYS 30 HB2 LYS 30 1.546 -5.645 6.885 257 HB3 LYS 30 HB3 LYS 30 1.372 -7.010 7.990 258 HG2 LYS 30 HG2 LYS 30 2.625 -5.676 9.725 259 HG3 LYS 30 HG3 LYS 30 2.586 -4.300 8.614 260 HD2 LYS 30 HD2 LYS 30 0.101 -4.351 8.651 261 HD3 LYS 30 HD3 LYS 30 0.146 -5.731 9.754 262 HE2 LYS 30 HE2 LYS 30 1.380 -4.268 11.405 263 HE3 LYS 30 HE3 LYS 30 1.104 -2.902 10.320 264 HZ1 LYS 30 HZ1 LYS 30 -0.955 -4.540 11.687 265 HZ2 LYS 30 HZ2 LYS 30 -1.300 -3.345 10.540 266 HZ3 LYS 30 HZ3 LYS 30 -0.560 -2.926 12.002 267 H THR 31 H THR 31 3.215 -6.275 4.745 268 HA THR 31 HA THR 31 3.643 -8.938 3.759 269 HB THR 31 HB THR 31 1.286 -9.248 4.301 270 HG1 THR 31 HG1 THR 31 0.911 -10.204 2.439 271 HG21 THR 31 HG21 THR 31 -0.520 -7.947 3.244 272 HG22 THR 31 HG22 THR 31 0.667 -6.880 2.492 273 HG23 THR 31 HG23 THR 31 0.483 -6.897 4.249 274 H HIS 32 H HIS 32 4.426 -8.901 1.714 275 HA HIS 32 HA HIS 32 4.975 -6.322 0.470 276 HB2 HIS 32 HB2 HIS 32 5.847 -9.148 -0.266 277 HB3 HIS 32 HB3 HIS 32 6.410 -7.684 -1.072 278 HD1 HIS 32 HD1 HIS 32 6.514 -9.346 2.342 279 HD2 HIS 32 HD2 HIS 32 8.547 -6.477 0.144 280 HE1 HIS 32 HE1 HIS 32 8.528 -8.755 3.713 281 HE2 HIS 32 HE2 HIS 32 9.601 -6.861 2.475 282 H TYR 33 H TYR 33 2.514 -8.564 0.207 283 HA TYR 33 HA TYR 33 1.574 -7.515 -2.373 284 HB2 TYR 33 HB2 TYR 33 0.773 -9.820 -3.014 285 HB3 TYR 33 HB3 TYR 33 2.519 -9.675 -2.983 286 HD1 TYR 33 HD2 TYR 33 3.600 -10.396 -0.562 287 HD2 TYR 33 HD1 TYR 33 -0.123 -11.824 -2.117 288 HE1 TYR 33 HE2 TYR 33 3.758 -12.374 0.883 289 HE2 TYR 33 HE1 TYR 33 0.040 -13.805 -0.671 290 HH TYR 33 HH TYR 33 2.210 -14.041 1.910 291 HA PRO 34 HA PRO 34 -1.483 -6.758 0.861 292 HB2 PRO 34 HB2 PRO 34 -3.093 -4.972 -0.419 293 HB3 PRO 34 HB3 PRO 34 -1.459 -4.555 0.113 294 HG2 PRO 34 HG2 PRO 34 -2.401 -5.346 -2.644 295 HG3 PRO 34 HG3 PRO 34 -1.292 -4.038 -2.178 296 HD2 PRO 34 HD2 PRO 34 -0.421 -6.484 -3.104 297 HD3 PRO 34 HD3 PRO 34 0.528 -5.477 -1.992 298 H ASP 35 H ASP 35 -2.996 -8.192 1.459 299 HA ASP 35 HA ASP 35 -4.647 -9.819 -0.135 300 HB2 ASP 35 HB2 ASP 35 -5.191 -8.822 2.699 301 HB3 ASP 35 HB3 ASP 35 -5.914 -10.242 1.945 302 H VAL 36 H VAL 36 -7.072 -9.703 -0.292 303 HA VAL 36 HA VAL 36 -7.924 -7.407 -1.590 304 HB VAL 36 HB VAL 36 -9.014 -9.572 -1.933 305 HG11 VAL 36 HG11 VAL 36 -10.301 -9.223 0.802 306 HG12 VAL 36 HG12 VAL 36 -9.069 -10.415 0.375 307 HG13 VAL 36 HG13 VAL 36 -10.668 -10.504 -0.363 308 HG21 VAL 36 HG21 VAL 36 -10.245 -7.543 -2.629 309 HG22 VAL 36 HG22 VAL 36 -11.032 -7.465 -1.051 310 HG23 VAL 36 HG23 VAL 36 -11.361 -8.818 -2.133 311 H TYR 37 H TYR 37 -8.496 -8.283 1.826 312 HA TYR 37 HA TYR 37 -10.041 -5.888 2.388 313 HB2 TYR 37 HB2 TYR 37 -10.427 -8.144 3.513 314 HB3 TYR 37 HB3 TYR 37 -8.937 -7.879 4.415 315 HD1 TYR 37 HD2 TYR 37 -12.317 -6.427 3.756 316 HD2 TYR 37 HD1 TYR 37 -8.993 -6.548 6.444 317 HE1 TYR 37 HE2 TYR 37 -13.598 -5.117 5.401 318 HE2 TYR 37 HE1 TYR 37 -10.278 -5.235 8.086 319 HH TYR 37 HH TYR 37 -13.588 -4.774 7.897 320 H ALA 38 H ALA 38 -6.685 -6.923 2.778 321 HA ALA 38 HA ALA 38 -5.680 -4.911 4.462 322 HB1 ALA 38 HB1 ALA 38 -4.246 -6.250 2.147 323 HB2 ALA 38 HB2 ALA 38 -4.350 -6.867 3.796 324 HB3 ALA 38 HB3 ALA 38 -3.475 -5.368 3.474 325 H ARG 39 H ARG 39 -6.272 -4.872 0.962 326 HA ARG 39 HA ARG 39 -5.209 -2.318 0.312 327 HB2 ARG 39 HB2 ARG 39 -7.632 -3.626 -0.980 328 HB3 ARG 39 HB3 ARG 39 -6.564 -2.428 -1.709 329 HG2 ARG 39 HG2 ARG 39 -4.774 -4.047 -1.882 330 HG3 ARG 39 HG3 ARG 39 -5.688 -5.226 -0.939 331 HD2 ARG 39 HD2 ARG 39 -6.234 -4.256 -3.759 332 HD3 ARG 39 HD3 ARG 39 -5.953 -5.911 -3.206 333 HE ARG 39 HE ARG 39 -8.248 -5.043 -1.909 334 HH11 ARG 39 HH11 ARG 39 -7.338 -5.667 -5.197 335 HH12 ARG 39 HH12 ARG 39 -8.974 -5.806 -5.719 336 HH21 ARG 39 HH21 ARG 39 -10.287 -5.173 -2.596 337 HH22 ARG 39 HH22 ARG 39 -10.640 -5.529 -4.251 338 H GLU 40 H GLU 40 -8.375 -3.367 1.538 339 HA GLU 40 HA GLU 40 -9.850 -1.006 0.997 340 HB2 GLU 40 HB2 GLU 40 -10.469 -3.045 3.179 341 HB3 GLU 40 HB3 GLU 40 -11.602 -1.939 2.405 342 HG2 GLU 40 HG2 GLU 40 -10.250 -4.354 1.186 343 HG3 GLU 40 HG3 GLU 40 -11.963 -4.147 1.526 344 H GLN 41 H GLN 41 -8.630 -2.204 4.163 345 HA GLN 41 HA GLN 41 -9.140 0.081 5.720 346 HB2 GLN 41 HB2 GLN 41 -7.062 -2.121 5.992 347 HB3 GLN 41 HB3 GLN 41 -7.283 -0.884 7.226 348 HG2 GLN 41 HG2 GLN 41 -9.487 -2.748 6.304 349 HG3 GLN 41 HG3 GLN 41 -8.438 -3.078 7.677 350 HE21 GLN 41 HE21 GLN 41 -11.361 -2.702 7.628 351 HE22 GLN 41 HE22 GLN 41 -11.689 -1.389 8.698 352 H LEU 42 H LEU 42 -6.290 -0.769 3.791 353 HA LEU 42 HA LEU 42 -4.627 1.408 4.552 354 HB2 LEU 42 HB2 LEU 42 -3.755 -0.656 3.564 355 HB3 LEU 42 HB3 LEU 42 -4.610 -0.336 2.067 356 HG LEU 42 HG LEU 42 -3.131 1.527 1.534 357 HD11 LEU 42 HD11 LEU 42 -1.799 1.066 4.222 358 HD12 LEU 42 HD12 LEU 42 -2.797 2.453 3.774 359 HD13 LEU 42 HD13 LEU 42 -1.255 2.185 2.970 360 HD21 LEU 42 HD21 LEU 42 -2.363 -0.734 0.921 361 HD22 LEU 42 HD22 LEU 42 -1.506 -0.871 2.455 362 HD23 LEU 42 HD23 LEU 42 -1.004 0.333 1.269 363 H ALA 43 H ALA 43 -6.961 1.009 1.904 364 HA ALA 43 HA ALA 43 -6.373 3.474 0.536 365 HB1 ALA 43 HB1 ALA 43 -7.377 1.546 -0.627 366 HB2 ALA 43 HB2 ALA 43 -8.398 2.975 -0.785 367 HB3 ALA 43 HB3 ALA 43 -8.835 1.692 0.352 368 H MET 44 H MET 44 -8.685 2.500 3.035 369 HA MET 44 HA MET 44 -10.164 4.964 3.144 370 HB2 MET 44 HB2 MET 44 -9.866 2.679 5.134 371 HB3 MET 44 HB3 MET 44 -10.922 4.063 5.414 372 HG2 MET 44 HG2 MET 44 -11.164 2.133 3.091 373 HG3 MET 44 HG3 MET 44 -12.155 2.116 4.553 374 HE1 MET 44 HE1 MET 44 -14.772 3.434 1.953 375 HE2 MET 44 HE2 MET 44 -14.444 2.256 3.222 376 HE3 MET 44 HE3 MET 44 -13.559 2.180 1.697 377 H ARG 45 H ARG 45 -7.135 3.916 4.544 378 HA ARG 45 HA ARG 45 -6.945 6.115 6.435 379 HB2 ARG 45 HB2 ARG 45 -5.446 3.619 5.910 380 HB3 ARG 45 HB3 ARG 45 -4.356 4.962 6.210 381 HG2 ARG 45 HG2 ARG 45 -6.605 4.101 8.072 382 HG3 ARG 45 HG3 ARG 45 -4.895 3.701 8.275 383 HD2 ARG 45 HD2 ARG 45 -4.354 6.112 8.450 384 HD3 ARG 45 HD3 ARG 45 -6.063 6.511 8.249 385 HE ARG 45 HE ARG 45 -5.990 4.859 10.433 386 HH11 ARG 45 HH11 ARG 45 -4.419 7.854 9.637 387 HH12 ARG 45 HH12 ARG 45 -4.391 8.385 11.281 388 HH21 ARG 45 HH21 ARG 45 -5.954 5.574 12.504 389 HH22 ARG 45 HH22 ARG 45 -5.260 7.108 12.888 390 H THR 46 H THR 46 -5.417 5.272 3.322 391 HA THR 46 HA THR 46 -3.794 7.710 3.279 392 HB THR 46 HB THR 46 -2.835 6.773 1.167 393 HG1 THR 46 HG1 THR 46 -3.905 4.276 1.377 394 HG21 THR 46 HG21 THR 46 -2.909 4.740 3.430 395 HG22 THR 46 HG22 THR 46 -1.830 6.137 3.343 396 HG23 THR 46 HG23 THR 46 -1.694 4.842 2.151 397 H ASP 47 H ASP 47 -6.883 6.813 2.166 398 HA ASP 47 HA ASP 47 -8.463 7.705 0.831 399 HB2 ASP 47 HB2 ASP 47 -7.796 9.861 1.902 400 HB3 ASP 47 HB3 ASP 47 -6.605 10.116 0.638 401 H LEU 48 H LEU 48 -5.946 6.257 -0.281 402 HA LEU 48 HA LEU 48 -5.806 7.144 -3.065 403 HB2 LEU 48 HB2 LEU 48 -4.409 4.899 -1.560 404 HB3 LEU 48 HB3 LEU 48 -4.138 5.240 -3.266 405 HG LEU 48 HG LEU 48 -3.565 7.219 -1.018 406 HD11 LEU 48 HD11 LEU 48 -1.192 6.717 -1.376 407 HD12 LEU 48 HD12 LEU 48 -1.618 5.446 -2.525 408 HD13 LEU 48 HD13 LEU 48 -2.077 5.295 -0.825 409 HD21 LEU 48 HD21 LEU 48 -2.840 7.314 -3.974 410 HD22 LEU 48 HD22 LEU 48 -2.342 8.490 -2.753 411 HD23 LEU 48 HD23 LEU 48 -4.045 8.319 -3.164 412 H THR 49 H THR 49 -6.214 5.729 -4.854 413 HA THR 49 HA THR 49 -8.591 4.123 -4.688 414 HB THR 49 HB THR 49 -6.658 4.570 -7.009 415 HG1 THR 49 HG1 THR 49 -9.213 5.736 -6.836 416 HG21 THR 49 HG21 THR 49 -8.517 3.853 -8.493 417 HG22 THR 49 HG22 THR 49 -9.485 3.441 -7.076 418 HG23 THR 49 HG23 THR 49 -8.011 2.536 -7.429 419 H GLU 50 H GLU 50 -8.827 1.912 -4.944 420 HA GLU 50 HA GLU 50 -7.260 -0.043 -3.917 421 HB2 GLU 50 HB2 GLU 50 -9.602 -0.325 -4.662 422 HB3 GLU 50 HB3 GLU 50 -9.091 -0.231 -6.344 423 HG2 GLU 50 HG2 GLU 50 -7.783 -2.351 -5.996 424 HG3 GLU 50 HG3 GLU 50 -8.480 -2.459 -4.380 425 H ALA 51 H ALA 51 -7.263 0.869 -7.385 426 HA ALA 51 HA ALA 51 -5.267 -0.843 -8.349 427 HB1 ALA 51 HB1 ALA 51 -6.765 0.471 -9.797 428 HB2 ALA 51 HB2 ALA 51 -5.076 0.721 -10.243 429 HB3 ALA 51 HB3 ALA 51 -5.945 1.954 -9.318 430 H ARG 52 H ARG 52 -4.903 2.517 -7.120 431 HA ARG 52 HA ARG 52 -2.095 2.705 -7.597 432 HB2 ARG 52 HB2 ARG 52 -4.011 4.402 -5.970 433 HB3 ARG 52 HB3 ARG 52 -2.281 4.726 -5.943 434 HG2 ARG 52 HG2 ARG 52 -3.277 6.213 -7.538 435 HG3 ARG 52 HG3 ARG 52 -2.333 5.023 -8.433 436 HD2 ARG 52 HD2 ARG 52 -4.472 3.776 -8.892 437 HD3 ARG 52 HD3 ARG 52 -5.354 5.087 -8.102 438 HE ARG 52 HE ARG 52 -3.632 5.667 -10.418 439 HH11 ARG 52 HH11 ARG 52 -6.836 5.638 -9.078 440 HH12 ARG 52 HH12 ARG 52 -7.512 6.457 -10.437 441 HH21 ARG 52 HH21 ARG 52 -4.527 6.709 -12.114 442 HH22 ARG 52 HH22 ARG 52 -6.218 7.058 -12.130 443 H VAL 53 H VAL 53 -3.909 1.434 -4.873 444 HA VAL 53 HA VAL 53 -1.813 1.246 -2.958 445 HB VAL 53 HB VAL 53 -4.274 -0.518 -3.389 446 HG11 VAL 53 HG11 VAL 53 -2.582 -1.829 -2.165 447 HG12 VAL 53 HG12 VAL 53 -3.913 -1.394 -1.089 448 HG13 VAL 53 HG13 VAL 53 -2.384 -0.515 -1.000 449 HG21 VAL 53 HG21 VAL 53 -5.235 0.730 -1.471 450 HG22 VAL 53 HG22 VAL 53 -4.820 1.818 -2.796 451 HG23 VAL 53 HG23 VAL 53 -3.772 1.718 -1.378 452 H GLN 54 H GLN 54 -3.087 -1.238 -5.208 453 HA GLN 54 HA GLN 54 -1.152 -3.236 -4.656 454 HB2 GLN 54 HB2 GLN 54 -2.936 -2.885 -7.108 455 HB3 GLN 54 HB3 GLN 54 -2.089 -4.371 -6.673 456 HG2 GLN 54 HG2 GLN 54 -3.414 -4.598 -4.645 457 HG3 GLN 54 HG3 GLN 54 -4.178 -3.034 -4.926 458 HE21 GLN 54 HE21 GLN 54 -4.062 -6.380 -5.934 459 HE22 GLN 54 HE22 GLN 54 -5.512 -6.352 -6.870 460 H VAL 55 H VAL 55 -1.358 -0.884 -7.303 461 HA VAL 55 HA VAL 55 0.908 -1.568 -8.809 462 HB VAL 55 HB VAL 55 -0.576 1.065 -8.441 463 HG11 VAL 55 HG11 VAL 55 1.719 0.582 -10.384 464 HG12 VAL 55 HG12 VAL 55 1.712 1.727 -9.039 465 HG13 VAL 55 HG13 VAL 55 0.639 1.978 -10.416 466 HG21 VAL 55 HG21 VAL 55 -1.780 -0.744 -9.627 467 HG22 VAL 55 HG22 VAL 55 -0.454 -0.873 -10.786 468 HG23 VAL 55 HG23 VAL 55 -1.422 0.601 -10.713 469 H TRP 56 H TRP 56 0.630 0.593 -5.973 470 HA TRP 56 HA TRP 56 3.247 1.614 -5.954 471 HB2 TRP 56 HB2 TRP 56 1.395 2.514 -4.545 472 HB3 TRP 56 HB3 TRP 56 1.458 1.073 -3.541 473 HD1 TRP 56 HD1 TRP 56 3.411 4.290 -4.298 474 HE1 TRP 56 HE1 TRP 56 5.082 4.713 -2.401 475 HE3 TRP 56 HE3 TRP 56 2.899 -0.108 -1.729 476 HZ2 TRP 56 HZ2 TRP 56 6.064 3.395 -0.122 477 HZ3 TRP 56 HZ3 TRP 56 4.249 -0.454 0.301 478 HH2 TRP 56 HH2 TRP 56 5.803 1.265 1.085 479 H PHE 57 H PHE 57 1.913 -1.280 -4.279 480 HA PHE 57 HA PHE 57 4.293 -2.212 -3.072 481 HB2 PHE 57 HB2 PHE 57 1.768 -3.672 -3.941 482 HB3 PHE 57 HB3 PHE 57 3.103 -4.522 -3.169 483 HD1 PHE 57 HD2 PHE 57 0.988 -1.464 -2.581 484 HD2 PHE 57 HD1 PHE 57 2.962 -4.825 -0.851 485 HE1 PHE 57 HE2 PHE 57 0.079 -0.864 -0.382 486 HE2 PHE 57 HE1 PHE 57 2.051 -4.222 1.349 487 HZ PHE 57 HZ PHE 57 0.610 -2.244 1.585 488 H GLN 58 H GLN 58 3.076 -2.698 -6.378 489 HA GLN 58 HA GLN 58 4.932 -4.678 -7.236 490 HB2 GLN 58 HB2 GLN 58 3.463 -2.544 -8.848 491 HB3 GLN 58 HB3 GLN 58 4.326 -3.910 -9.554 492 HG2 GLN 58 HG2 GLN 58 2.787 -5.488 -8.575 493 HG3 GLN 58 HG3 GLN 58 2.011 -4.223 -7.624 494 HE21 GLN 58 HE21 GLN 58 -0.022 -4.685 -8.474 495 HE22 GLN 58 HE22 GLN 58 -0.463 -4.297 -10.095 496 H ASN 59 H ASN 59 5.026 -1.100 -7.574 497 HA ASN 59 HA ASN 59 7.684 -1.027 -8.695 498 HB2 ASN 59 HB2 ASN 59 5.984 1.208 -7.506 499 HB3 ASN 59 HB3 ASN 59 7.525 1.462 -8.321 500 HD21 ASN 59 HD21 ASN 59 4.157 0.825 -8.749 501 HD22 ASN 59 HD22 ASN 59 4.147 0.915 -10.471 502 H ARG 60 H ARG 60 6.467 -1.165 -5.447 503 HA ARG 60 HA ARG 60 8.836 -0.089 -4.165 504 HB2 ARG 60 HB2 ARG 60 6.510 0.004 -3.140 505 HB3 ARG 60 HB3 ARG 60 6.618 -1.731 -2.870 506 HG2 ARG 60 HG2 ARG 60 7.211 -0.810 -0.795 507 HG3 ARG 60 HG3 ARG 60 8.768 -1.211 -1.516 508 HD2 ARG 60 HD2 ARG 60 7.488 1.546 -1.422 509 HD3 ARG 60 HD3 ARG 60 8.811 0.994 -0.403 510 HE ARG 60 HE ARG 60 10.002 0.743 -2.698 511 HH11 ARG 60 HH11 ARG 60 7.844 3.320 -1.824 512 HH12 ARG 60 HH12 ARG 60 8.618 4.453 -2.872 513 HH21 ARG 60 HH21 ARG 60 10.944 2.232 -4.017 514 HH22 ARG 60 HH22 ARG 60 10.329 3.839 -4.102 515 H ARG 61 H ARG 61 7.569 -3.345 -4.911 516 HA ARG 61 HA ARG 61 9.673 -4.833 -3.683 517 HB2 ARG 61 HB2 ARG 61 7.760 -5.561 -5.927 518 HB3 ARG 61 HB3 ARG 61 8.934 -6.699 -5.268 519 HG2 ARG 61 HG2 ARG 61 7.884 -6.517 -3.042 520 HG3 ARG 61 HG3 ARG 61 6.721 -5.352 -3.680 521 HD2 ARG 61 HD2 ARG 61 6.992 -8.256 -4.541 522 HD3 ARG 61 HD3 ARG 61 5.733 -7.597 -3.491 523 HE ARG 61 HE ARG 61 6.065 -6.796 -6.327 524 HH11 ARG 61 HH11 ARG 61 3.970 -7.648 -3.703 525 HH12 ARG 61 HH12 ARG 61 2.552 -7.531 -4.678 526 HH21 ARG 61 HH21 ARG 61 4.233 -6.680 -7.535 527 HH22 ARG 61 HH22 ARG 61 2.700 -7.013 -6.815 528 H ALA 62 H ALA 62 9.473 -3.110 -6.717 529 HA ALA 62 HA ALA 62 11.755 -4.157 -8.036 530 HB1 ALA 62 HB1 ALA 62 10.087 -2.742 -9.169 531 HB2 ALA 62 HB2 ALA 62 11.713 -2.083 -9.363 532 HB3 ALA 62 HB3 ALA 62 10.594 -1.355 -8.205 533 H LYS 63 H LYS 63 11.415 -1.703 -5.497 534 HA LYS 63 HA LYS 63 14.268 -1.116 -5.338 535 HB2 LYS 63 HB2 LYS 63 11.810 -0.265 -3.787 536 HB3 LYS 63 HB3 LYS 63 13.392 -0.026 -3.058 537 HG2 LYS 63 HG2 LYS 63 12.490 1.135 -5.716 538 HG3 LYS 63 HG3 LYS 63 12.580 1.998 -4.176 539 HD2 LYS 63 HD2 LYS 63 15.088 1.360 -4.157 540 HD3 LYS 63 HD3 LYS 63 14.867 0.904 -5.848 541 HE2 LYS 63 HE2 LYS 63 14.446 3.662 -4.641 542 HE3 LYS 63 HE3 LYS 63 15.761 3.163 -5.706 543 HZ1 LYS 63 HZ1 LYS 63 14.064 4.394 -6.899 544 HZ2 LYS 63 HZ2 LYS 63 12.888 3.275 -6.443 545 HZ3 LYS 63 HZ3 LYS 63 14.145 2.803 -7.467 546 H TRP 64 H TRP 64 11.912 -3.059 -3.539 547 HA TRP 64 HA TRP 64 13.361 -3.707 -1.243 548 HB2 TRP 64 HB2 TRP 64 10.983 -4.043 -1.293 549 HB3 TRP 64 HB3 TRP 64 11.092 -5.110 -2.685 550 HD1 TRP 64 HD1 TRP 64 11.865 -5.129 1.126 551 HE1 TRP 64 HE1 TRP 64 11.800 -7.577 1.914 552 HE3 TRP 64 HE3 TRP 64 11.257 -7.411 -3.387 553 HZ2 TRP 64 HZ2 TRP 64 11.523 -10.147 0.780 554 HZ3 TRP 64 HZ3 TRP 64 11.099 -9.876 -3.471 555 HH2 TRP 64 HH2 TRP 64 11.233 -11.215 -1.422 556 H ARG 65 H ARG 65 13.315 -5.346 -4.380 557 HA ARG 65 HA ARG 65 15.025 -7.525 -3.746 558 HB2 ARG 65 HB2 ARG 65 14.400 -6.113 -6.371 559 HB3 ARG 65 HB3 ARG 65 15.426 -7.544 -6.279 560 HG2 ARG 65 HG2 ARG 65 13.563 -8.867 -5.383 561 HG3 ARG 65 HG3 ARG 65 12.522 -7.439 -5.375 562 HD2 ARG 65 HD2 ARG 65 13.788 -8.584 -7.893 563 HD3 ARG 65 HD3 ARG 65 12.178 -9.019 -7.320 564 HE ARG 65 HE ARG 65 11.799 -6.456 -7.474 565 HH11 ARG 65 HH11 ARG 65 13.783 -8.199 -9.709 566 HH12 ARG 65 HH12 ARG 65 13.272 -7.247 -11.054 567 HH21 ARG 65 HH21 ARG 65 11.171 -5.268 -9.225 568 HH22 ARG 65 HH22 ARG 65 11.836 -5.608 -10.780 569 H LYS 66 H LYS 66 17.039 -7.302 -2.959 570 HA LYS 66 HA LYS 66 18.657 -4.951 -3.187 571 HB2 LYS 66 HB2 LYS 66 18.719 -6.408 -1.195 572 HB3 LYS 66 HB3 LYS 66 19.338 -7.742 -2.160 573 HG2 LYS 66 HG2 LYS 66 21.424 -6.416 -2.591 574 HG3 LYS 66 HG3 LYS 66 20.788 -5.138 -1.555 575 HD2 LYS 66 HD2 LYS 66 22.385 -6.506 -0.309 576 HD3 LYS 66 HD3 LYS 66 20.768 -6.707 0.369 577 HE2 LYS 66 HE2 LYS 66 20.537 -8.874 -0.783 578 HE3 LYS 66 HE3 LYS 66 22.116 -8.664 -1.541 579 HZ1 LYS 66 HZ1 LYS 66 22.256 -10.108 0.359 580 HZ2 LYS 66 HZ2 LYS 66 21.593 -8.924 1.367 581 HZ3 LYS 66 HZ3 LYS 66 23.114 -8.680 0.666 582 H ARG 67 H ARG 67 20.190 -4.423 -4.678 583 HA ARG 67 HA ARG 67 21.651 -6.525 -6.127 584 HB2 ARG 67 HB2 ARG 67 21.457 -5.166 -8.283 585 HB3 ARG 67 HB3 ARG 67 20.021 -6.048 -7.786 586 HG2 ARG 67 HG2 ARG 67 18.967 -3.997 -6.982 587 HG3 ARG 67 HG3 ARG 67 20.443 -3.080 -7.291 588 HD2 ARG 67 HD2 ARG 67 20.201 -3.312 -9.669 589 HD3 ARG 67 HD3 ARG 67 18.918 -4.512 -9.490 590 HE ARG 67 HE ARG 67 17.401 -2.839 -9.127 591 HH11 ARG 67 HH11 ARG 67 20.545 -1.371 -9.024 592 HH12 ARG 67 HH12 ARG 67 19.899 0.229 -9.033 593 HH21 ARG 67 HH21 ARG 67 16.623 -0.810 -9.128 594 HH22 ARG 67 HH22 ARG 67 17.696 0.538 -9.078 595 H GLU 68 H GLU 68 23.620 -6.208 -5.413 596 HA GLU 68 HA GLU 68 25.723 -5.397 -5.189 597 HB2 GLU 68 HB2 GLU 68 24.762 -3.174 -7.039 598 HB3 GLU 68 HB3 GLU 68 26.450 -3.534 -6.679 599 HG2 GLU 68 HG2 GLU 68 26.276 -5.700 -7.780 600 HG3 GLU 68 HG3 GLU 68 24.547 -5.482 -8.030 601 H ARG 69 H ARG 69 23.315 -4.073 -3.559 602 HA ARG 69 HA ARG 69 22.845 -2.399 -2.100 603 HB2 ARG 69 HB2 ARG 69 25.867 -2.361 -1.701 604 HB3 ARG 69 HB3 ARG 69 24.684 -1.663 -0.597 605 HG2 ARG 69 HG2 ARG 69 23.790 -3.862 -0.061 606 HG3 ARG 69 HG3 ARG 69 24.806 -4.623 -1.294 607 HD2 ARG 69 HD2 ARG 69 25.761 -3.242 1.240 608 HD3 ARG 69 HD3 ARG 69 25.761 -4.983 0.927 609 HE ARG 69 HE ARG 69 27.390 -3.046 -0.613 610 HH11 ARG 69 HH11 ARG 69 27.168 -6.123 0.961 611 HH12 ARG 69 HH12 ARG 69 28.780 -6.561 0.531 612 HH21 ARG 69 HH21 ARG 69 29.437 -3.640 -1.138 613 HH22 ARG 69 HH22 ARG 69 30.055 -5.169 -0.627 614 H PHE 70 H PHE 70 23.133 -1.674 -4.825 615 HA PHE 70 HA PHE 70 23.244 0.015 -6.303 616 HB2 PHE 70 HB2 PHE 70 23.038 1.773 -3.826 617 HB3 PHE 70 HB3 PHE 70 22.794 2.332 -5.476 618 HD1 PHE 70 HD1 PHE 70 20.815 1.451 -6.808 619 HD2 PHE 70 HD2 PHE 70 21.261 0.656 -2.629 620 HE1 PHE 70 HE1 PHE 70 18.441 0.821 -6.671 621 HE2 PHE 70 HE2 PHE 70 18.883 0.028 -2.499 622 HZ PHE 70 HZ PHE 70 17.472 0.112 -4.520 623 H GLY 71 H GLY 71 25.734 -1.114 -5.433 624 HA2 GLY 71 HA2 GLY 71 27.817 -0.801 -6.491 625 HA3 GLY 71 HA3 GLY 71 27.521 0.929 -6.572 626 H GLN 72 H GLN 72 29.329 1.699 -5.606 627 HA GLN 72 HA GLN 72 30.879 2.300 -4.085 628 HB2 GLN 72 HB2 GLN 72 28.785 2.915 -2.816 629 HB3 GLN 72 HB3 GLN 72 28.872 1.370 -1.986 630 HG2 GLN 72 HG2 GLN 72 31.014 2.029 -0.963 631 HG3 GLN 72 HG3 GLN 72 30.965 3.565 -1.824 632 HE21 GLN 72 HE21 GLN 72 28.110 4.032 -1.383 633 HE22 GLN 72 HE22 GLN 72 27.939 4.414 0.289 634 H MET 73 H MET 73 31.715 0.169 -5.209 635 HA MET 73 HA MET 73 32.229 -2.100 -3.466 636 HB2 MET 73 HB2 MET 73 33.168 -1.456 -6.298 637 HB3 MET 73 HB3 MET 73 33.512 -2.970 -5.463 638 HG2 MET 73 HG2 MET 73 30.748 -1.937 -6.157 639 HG3 MET 73 HG3 MET 73 31.629 -3.199 -7.024 640 HE1 MET 73 HE1 MET 73 29.473 -4.808 -6.723 641 HE2 MET 73 HE2 MET 73 28.630 -3.549 -5.817 642 HE3 MET 73 HE3 MET 73 28.754 -5.180 -5.156 643 H GLN 74 H GLN 74 33.584 -1.562 -1.789 644 HA GLN 74 HA GLN 74 36.286 -0.503 -2.422 645 HB2 GLN 74 HB2 GLN 74 34.583 -0.042 0.063 646 HB3 GLN 74 HB3 GLN 74 36.292 0.387 -0.037 647 HG2 GLN 74 HG2 GLN 74 35.823 1.947 -1.877 648 HG3 GLN 74 HG3 GLN 74 34.120 1.492 -1.858 649 HE21 GLN 74 HE21 GLN 74 33.550 3.686 -1.512 650 HE22 GLN 74 HE22 GLN 74 33.747 4.441 0.026 651 H GLN 75 H GLN 75 34.938 -2.152 0.505 652 HA GLN 75 HA GLN 75 36.406 -4.589 -0.056 653 HB2 GLN 75 HB2 GLN 75 37.660 -4.551 2.177 654 HB3 GLN 75 HB3 GLN 75 38.280 -3.521 0.900 655 HG2 GLN 75 HG2 GLN 75 37.332 -1.543 1.984 656 HG3 GLN 75 HG3 GLN 75 36.588 -2.549 3.222 657 HE21 GLN 75 HE21 GLN 75 39.868 -3.063 1.988 658 HE22 GLN 75 HE22 GLN 75 40.669 -2.617 3.447 Start of MODEL 19 1 H1 SER 1 H1 SER 1 29.849 0.104 3.409 2 H2 SER 1 H2 SER 1 31.392 0.704 3.065 3 H3 SER 1 H3 SER 1 30.202 0.707 1.868 4 HA SER 1 HA SER 1 30.106 2.243 4.393 5 HB2 SER 1 HB2 SER 1 30.685 3.214 1.562 6 HB3 SER 1 HB3 SER 1 30.479 4.255 2.975 7 HG SER 1 HG SER 1 32.676 3.850 2.569 8 H HIS 2 H HIS 2 28.027 2.493 4.992 9 HA HIS 2 HA HIS 2 25.844 1.944 3.136 10 HB2 HIS 2 HB2 HIS 2 24.401 1.978 5.195 11 HB3 HIS 2 HB3 HIS 2 25.741 0.845 5.277 12 HD1 HIS 2 HD1 HIS 2 24.634 4.180 6.669 13 HD2 HIS 2 HD2 HIS 2 27.423 1.207 7.450 14 HE1 HIS 2 HE1 HIS 2 25.601 4.740 8.911 15 HE2 HIS 2 HE2 HIS 2 27.437 3.066 9.245 16 H MET 3 H MET 3 26.972 4.271 2.307 17 HA MET 3 HA MET 3 24.865 6.311 2.827 18 HB2 MET 3 HB2 MET 3 27.678 6.697 1.698 19 HB3 MET 3 HB3 MET 3 26.458 7.961 1.785 20 HG2 MET 3 HG2 MET 3 27.977 8.282 3.586 21 HG3 MET 3 HG3 MET 3 26.456 7.709 4.273 22 HE1 MET 3 HE1 MET 3 27.894 7.340 6.518 23 HE2 MET 3 HE2 MET 3 29.416 7.749 5.722 24 HE3 MET 3 HE3 MET 3 29.268 6.242 6.628 25 H SER 4 H SER 4 26.849 4.752 0.289 26 HA SER 4 HA SER 4 26.689 4.487 -1.956 27 HB2 SER 4 HB2 SER 4 23.694 4.554 -1.380 28 HB3 SER 4 HB3 SER 4 24.409 4.017 -2.902 29 HG SER 4 HG SER 4 23.901 2.332 -1.337 30 H ASN 5 H ASN 5 27.096 7.110 -1.050 31 HA ASN 5 HA ASN 5 27.020 9.307 -1.421 32 HB2 ASN 5 HB2 ASN 5 28.090 8.543 -3.563 33 HB3 ASN 5 HB3 ASN 5 26.507 8.568 -4.332 34 HD21 ASN 5 HD21 ASN 5 27.204 10.177 -5.828 35 HD22 ASN 5 HD22 ASN 5 27.439 11.820 -5.357 36 H LYS 6 H LYS 6 25.035 9.315 -0.121 37 HA LYS 6 HA LYS 6 23.068 10.219 0.480 38 HB2 LYS 6 HB2 LYS 6 23.505 11.906 -2.007 39 HB3 LYS 6 HB3 LYS 6 22.325 12.272 -0.751 40 HG2 LYS 6 HG2 LYS 6 24.152 12.544 0.894 41 HG3 LYS 6 HG3 LYS 6 25.338 12.152 -0.354 42 HD2 LYS 6 HD2 LYS 6 25.209 14.584 -0.006 43 HD3 LYS 6 HD3 LYS 6 24.683 14.154 -1.634 44 HE2 LYS 6 HE2 LYS 6 22.310 14.369 -0.905 45 HE3 LYS 6 HE3 LYS 6 22.852 14.815 0.712 46 HZ1 LYS 6 HZ1 LYS 6 23.888 16.773 -0.199 47 HZ2 LYS 6 HZ2 LYS 6 22.257 16.731 -0.640 48 HZ3 LYS 6 HZ3 LYS 6 23.445 16.327 -1.766 49 H GLY 7 H GLY 7 22.417 10.495 -3.035 50 HA2 GLY 7 HA2 GLY 7 20.749 9.546 -4.346 51 HA3 GLY 7 HA3 GLY 7 20.207 8.588 -2.966 52 H LYS 8 H LYS 8 18.040 9.096 -3.009 53 HA LYS 8 HA LYS 8 16.101 10.168 -2.542 54 HB2 LYS 8 HB2 LYS 8 17.967 11.987 -0.973 55 HB3 LYS 8 HB3 LYS 8 16.221 12.159 -0.924 56 HG2 LYS 8 HG2 LYS 8 16.929 10.951 1.037 57 HG3 LYS 8 HG3 LYS 8 16.038 9.842 -0.011 58 HD2 LYS 8 HD2 LYS 8 18.198 8.926 -0.841 59 HD3 LYS 8 HD3 LYS 8 19.069 10.019 0.237 60 HE2 LYS 8 HE2 LYS 8 18.125 8.876 2.188 61 HE3 LYS 8 HE3 LYS 8 17.158 7.833 1.134 62 HZ1 LYS 8 HZ1 LYS 8 19.206 6.770 1.907 63 HZ2 LYS 8 HZ2 LYS 8 20.123 7.960 1.126 64 HZ3 LYS 8 HZ3 LYS 8 19.161 6.909 0.224 65 H LYS 9 H LYS 9 17.625 10.973 -4.983 66 HA LYS 9 HA LYS 9 16.958 13.692 -5.615 67 HB2 LYS 9 HB2 LYS 9 17.493 11.379 -7.535 68 HB3 LYS 9 HB3 LYS 9 17.547 13.096 -7.929 69 HG2 LYS 9 HG2 LYS 9 19.501 13.370 -6.426 70 HG3 LYS 9 HG3 LYS 9 19.450 11.641 -6.047 71 HD2 LYS 9 HD2 LYS 9 19.818 11.161 -8.492 72 HD3 LYS 9 HD3 LYS 9 19.986 12.898 -8.776 73 HE2 LYS 9 HE2 LYS 9 21.789 11.194 -7.010 74 HE3 LYS 9 HE3 LYS 9 22.185 11.800 -8.619 75 HZ1 LYS 9 HZ1 LYS 9 22.055 14.046 -7.771 76 HZ2 LYS 9 HZ2 LYS 9 23.171 13.147 -6.874 77 HZ3 LYS 9 HZ3 LYS 9 21.643 13.482 -6.236 78 H ARG 10 H ARG 10 14.771 13.879 -5.000 79 HA ARG 10 HA ARG 10 12.773 11.999 -5.986 80 HB2 ARG 10 HB2 ARG 10 11.214 13.162 -4.471 81 HB3 ARG 10 HB3 ARG 10 12.681 12.667 -3.635 82 HG2 ARG 10 HG2 ARG 10 13.518 14.974 -3.660 83 HG3 ARG 10 HG3 ARG 10 12.120 15.493 -4.607 84 HD2 ARG 10 HD2 ARG 10 10.650 14.721 -2.684 85 HD3 ARG 10 HD3 ARG 10 12.125 14.483 -1.738 86 HE ARG 10 HE ARG 10 12.106 17.110 -2.754 87 HH11 ARG 10 HH11 ARG 10 10.379 15.224 -0.409 88 HH12 ARG 10 HH12 ARG 10 9.925 16.615 0.507 89 HH21 ARG 10 HH21 ARG 10 11.497 18.848 -1.548 90 HH22 ARG 10 HH22 ARG 10 10.547 18.622 -0.124 91 H ARG 11 H ARG 11 13.922 13.500 -8.108 92 HA ARG 11 HA ARG 11 12.036 15.465 -9.019 93 HB2 ARG 11 HB2 ARG 11 14.309 15.547 -9.894 94 HB3 ARG 11 HB3 ARG 11 14.173 13.913 -10.535 95 HG2 ARG 11 HG2 ARG 11 12.652 14.591 -12.252 96 HG3 ARG 11 HG3 ARG 11 12.359 16.153 -11.486 97 HD2 ARG 11 HD2 ARG 11 15.043 15.316 -12.642 98 HD3 ARG 11 HD3 ARG 11 13.825 16.226 -13.537 99 HE ARG 11 HE ARG 11 14.044 17.975 -11.778 100 HH11 ARG 11 HH11 ARG 11 16.708 15.835 -12.245 101 HH12 ARG 11 HH12 ARG 11 17.866 17.007 -11.739 102 HH21 ARG 11 HH21 ARG 11 15.541 19.442 -11.121 103 HH22 ARG 11 HH22 ARG 11 17.218 19.014 -11.105 104 H ASN 12 H ASN 12 10.065 14.553 -8.748 105 HA ASN 12 HA ASN 12 9.022 12.995 -10.962 106 HB2 ASN 12 HB2 ASN 12 7.797 11.386 -9.461 107 HB3 ASN 12 HB3 ASN 12 9.541 11.170 -9.413 108 HD21 ASN 12 HD21 ASN 12 6.754 12.288 -7.613 109 HD22 ASN 12 HD22 ASN 12 7.519 12.311 -6.070 110 H ARG 13 H ARG 13 6.558 13.003 -10.865 111 HA ARG 13 HA ARG 13 5.555 15.556 -9.875 112 HB2 ARG 13 HB2 ARG 13 4.896 14.472 -12.135 113 HB3 ARG 13 HB3 ARG 13 3.907 13.352 -11.204 114 HG2 ARG 13 HG2 ARG 13 2.539 15.193 -12.076 115 HG3 ARG 13 HG3 ARG 13 2.591 15.250 -10.309 116 HD2 ARG 13 HD2 ARG 13 4.435 16.970 -10.501 117 HD3 ARG 13 HD3 ARG 13 4.163 16.989 -12.247 118 HE ARG 13 HE ARG 13 1.722 17.503 -10.964 119 HH11 ARG 13 HH11 ARG 13 4.793 19.059 -11.377 120 HH12 ARG 13 HH12 ARG 13 4.125 20.643 -11.231 121 HH21 ARG 13 HH21 ARG 13 0.904 19.536 -10.775 122 HH22 ARG 13 HH22 ARG 13 1.946 20.909 -10.898 123 H THR 14 H THR 14 3.725 15.727 -8.372 124 HA THR 14 HA THR 14 3.989 14.123 -6.051 125 HB THR 14 HB THR 14 1.662 15.990 -6.732 126 HG1 THR 14 HG1 THR 14 2.999 17.421 -5.319 127 HG21 THR 14 HG21 THR 14 1.394 16.185 -4.263 128 HG22 THR 14 HG22 THR 14 2.665 14.984 -4.032 129 HG23 THR 14 HG23 THR 14 1.146 14.522 -4.803 130 H THR 15 H THR 15 3.629 11.973 -6.433 131 HA THR 15 HA THR 15 1.104 10.989 -7.580 132 HB THR 15 HB THR 15 2.187 8.726 -7.426 133 HG1 THR 15 HG1 THR 15 4.084 8.461 -6.448 134 HG21 THR 15 HG21 THR 15 3.963 9.095 -9.123 135 HG22 THR 15 HG22 THR 15 3.916 10.828 -8.793 136 HG23 THR 15 HG23 THR 15 2.511 10.025 -9.500 137 H PHE 16 H PHE 16 2.957 10.869 -4.538 138 HA PHE 16 HA PHE 16 0.497 10.292 -3.009 139 HB2 PHE 16 HB2 PHE 16 3.152 8.854 -2.491 140 HB3 PHE 16 HB3 PHE 16 1.666 8.651 -1.571 141 HD1 PHE 16 HD1 PHE 16 -0.394 7.681 -2.835 142 HD2 PHE 16 HD2 PHE 16 3.607 7.418 -4.333 143 HE1 PHE 16 HE1 PHE 16 -1.057 5.827 -4.313 144 HE2 PHE 16 HE2 PHE 16 2.930 5.561 -5.802 145 HZ PHE 16 HZ PHE 16 0.598 4.768 -5.793 146 H THR 17 H THR 17 0.622 10.999 -0.752 147 HA THR 17 HA THR 17 2.539 13.169 -0.209 148 HB THR 17 HB THR 17 1.175 13.769 1.716 149 HG1 THR 17 HG1 THR 17 -0.837 12.353 2.008 150 HG21 THR 17 HG21 THR 17 -1.029 14.202 0.691 151 HG22 THR 17 HG22 THR 17 -0.672 13.045 -0.593 152 HG23 THR 17 HG23 THR 17 0.274 14.531 -0.454 153 H SER 18 H SER 18 3.473 13.251 2.076 154 HA SER 18 HA SER 18 5.099 11.036 2.694 155 HB2 SER 18 HB2 SER 18 4.297 13.350 4.518 156 HB3 SER 18 HB3 SER 18 5.677 12.275 4.772 157 HG SER 18 HG SER 18 5.536 14.497 3.305 158 H TYR 19 H TYR 19 2.048 12.144 4.157 159 HA TYR 19 HA TYR 19 1.677 10.276 6.205 160 HB2 TYR 19 HB2 TYR 19 0.225 12.195 6.057 161 HB3 TYR 19 HB3 TYR 19 -0.297 11.769 4.433 162 HD1 TYR 19 HD2 TYR 19 -0.518 10.663 8.016 163 HD2 TYR 19 HD1 TYR 19 -2.257 10.425 4.110 164 HE1 TYR 19 HE2 TYR 19 -2.472 9.495 8.949 165 HE2 TYR 19 HE1 TYR 19 -4.198 9.250 5.045 166 HH TYR 19 HH TYR 19 -4.830 7.967 6.977 167 H GLN 20 H GLN 20 0.514 10.117 2.814 168 HA GLN 20 HA GLN 20 -0.700 7.578 2.906 169 HB2 GLN 20 HB2 GLN 20 0.535 9.014 0.513 170 HB3 GLN 20 HB3 GLN 20 -0.510 7.595 0.404 171 HG2 GLN 20 HG2 GLN 20 -2.363 8.859 1.398 172 HG3 GLN 20 HG3 GLN 20 -1.330 10.276 1.564 173 HE21 GLN 20 HE21 GLN 20 -3.819 10.083 0.108 174 HE22 GLN 20 HE22 GLN 20 -3.464 10.463 -1.535 175 H LEU 21 H LEU 21 2.626 8.492 1.975 176 HA LEU 21 HA LEU 21 3.594 5.973 1.201 177 HB2 LEU 21 HB2 LEU 21 5.068 8.359 2.364 178 HB3 LEU 21 HB3 LEU 21 5.888 6.937 1.732 179 HG LEU 21 HG LEU 21 4.146 8.850 0.119 180 HD11 LEU 21 HD11 LEU 21 7.150 8.428 0.072 181 HD12 LEU 21 HD12 LEU 21 6.297 9.839 0.709 182 HD13 LEU 21 HD13 LEU 21 6.234 9.480 -1.015 183 HD21 LEU 21 HD21 LEU 21 3.923 6.566 -0.741 184 HD22 LEU 21 HD22 LEU 21 5.678 6.401 -0.831 185 HD23 LEU 21 HD23 LEU 21 4.844 7.565 -1.864 186 H GLU 22 H GLU 22 3.668 7.541 4.431 187 HA GLU 22 HA GLU 22 5.127 5.503 5.778 188 HB2 GLU 22 HB2 GLU 22 3.257 7.666 6.821 189 HB3 GLU 22 HB3 GLU 22 4.141 6.572 7.885 190 HG2 GLU 22 HG2 GLU 22 6.280 7.396 6.947 191 HG3 GLU 22 HG3 GLU 22 5.385 8.516 5.916 192 H GLU 23 H GLU 23 1.654 5.905 5.179 193 HA GLU 23 HA GLU 23 0.799 3.755 6.887 194 HB2 GLU 23 HB2 GLU 23 -0.576 5.200 4.590 195 HB3 GLU 23 HB3 GLU 23 -1.365 3.962 5.565 196 HG2 GLU 23 HG2 GLU 23 -0.229 6.562 6.653 197 HG3 GLU 23 HG3 GLU 23 -1.929 6.285 6.259 198 H LEU 24 H LEU 24 1.194 4.006 3.338 199 HA LEU 24 HA LEU 24 0.687 1.380 2.549 200 HB2 LEU 24 HB2 LEU 24 2.668 3.380 1.385 201 HB3 LEU 24 HB3 LEU 24 2.157 1.914 0.563 202 HG LEU 24 HG LEU 24 0.197 4.122 1.341 203 HD11 LEU 24 HD11 LEU 24 0.288 4.941 -0.965 204 HD12 LEU 24 HD12 LEU 24 1.586 3.802 -1.336 205 HD13 LEU 24 HD13 LEU 24 1.856 5.100 -0.170 206 HD21 LEU 24 HD21 LEU 24 -1.274 3.080 -0.327 207 HD22 LEU 24 HD22 LEU 24 -0.822 1.930 0.927 208 HD23 LEU 24 HD23 LEU 24 -0.050 1.849 -0.658 209 H GLU 25 H GLU 25 3.710 2.834 3.718 210 HA GLU 25 HA GLU 25 5.378 0.565 3.399 211 HB2 GLU 25 HB2 GLU 25 6.132 2.936 3.346 212 HB3 GLU 25 HB3 GLU 25 5.746 3.090 5.059 213 HG2 GLU 25 HG2 GLU 25 7.441 1.438 5.612 214 HG3 GLU 25 HG3 GLU 25 7.784 1.189 3.904 215 H LYS 26 H LYS 26 3.463 1.863 6.082 216 HA LYS 26 HA LYS 26 4.497 0.319 8.223 217 HB2 LYS 26 HB2 LYS 26 3.001 2.338 8.410 218 HB3 LYS 26 HB3 LYS 26 1.648 1.353 7.871 219 HG2 LYS 26 HG2 LYS 26 1.796 -0.011 9.893 220 HG3 LYS 26 HG3 LYS 26 3.246 0.853 10.411 221 HD2 LYS 26 HD2 LYS 26 0.537 2.198 10.010 222 HD3 LYS 26 HD3 LYS 26 1.084 1.559 11.560 223 HE2 LYS 26 HE2 LYS 26 1.494 3.936 11.562 224 HE3 LYS 26 HE3 LYS 26 3.057 3.140 11.431 225 HZ1 LYS 26 HZ1 LYS 26 3.109 3.651 9.089 226 HZ2 LYS 26 HZ2 LYS 26 2.824 5.068 9.964 227 HZ3 LYS 26 HZ3 LYS 26 1.549 4.309 9.151 228 H VAL 27 H VAL 27 1.984 -0.319 5.828 229 HA VAL 27 HA VAL 27 1.320 -2.970 6.776 230 HB VAL 27 HB VAL 27 0.671 -1.583 4.135 231 HG11 VAL 27 HG11 VAL 27 -1.114 -3.303 3.851 232 HG12 VAL 27 HG12 VAL 27 -0.511 -4.148 5.279 233 HG13 VAL 27 HG13 VAL 27 0.502 -4.022 3.841 234 HG21 VAL 27 HG21 VAL 27 -1.564 -1.177 5.134 235 HG22 VAL 27 HG22 VAL 27 -0.290 -0.411 6.086 236 HG23 VAL 27 HG23 VAL 27 -1.024 -1.918 6.646 237 H PHE 28 H PHE 28 3.511 -1.597 4.335 238 HA PHE 28 HA PHE 28 4.254 -3.923 2.933 239 HB2 PHE 28 HB2 PHE 28 4.741 -1.622 2.160 240 HB3 PHE 28 HB3 PHE 28 5.900 -1.414 3.463 241 HD1 PHE 28 HD1 PHE 28 5.223 -3.560 0.450 242 HD2 PHE 28 HD2 PHE 28 8.196 -1.899 3.046 243 HE1 PHE 28 HE1 PHE 28 6.992 -4.379 -1.050 244 HE2 PHE 28 HE2 PHE 28 9.962 -2.725 1.534 245 HZ PHE 28 HZ PHE 28 9.361 -3.960 -0.514 246 H GLN 29 H GLN 29 5.589 -2.521 5.927 247 HA GLN 29 HA GLN 29 7.812 -4.282 6.222 248 HB2 GLN 29 HB2 GLN 29 6.333 -2.669 8.347 249 HB3 GLN 29 HB3 GLN 29 7.893 -3.453 8.581 250 HG2 GLN 29 HG2 GLN 29 7.298 -1.159 6.685 251 HG3 GLN 29 HG3 GLN 29 8.181 -1.056 8.204 252 HE21 GLN 29 HE21 GLN 29 9.036 -0.335 5.479 253 HE22 GLN 29 HE22 GLN 29 10.468 -1.252 5.179 254 H LYS 30 H LYS 30 4.432 -4.612 7.025 255 HA LYS 30 HA LYS 30 4.744 -7.014 8.650 256 HB2 LYS 30 HB2 LYS 30 2.276 -5.644 7.480 257 HB3 LYS 30 HB3 LYS 30 2.227 -7.022 8.581 258 HG2 LYS 30 HG2 LYS 30 3.187 -5.700 10.378 259 HG3 LYS 30 HG3 LYS 30 3.467 -4.336 9.285 260 HD2 LYS 30 HD2 LYS 30 1.040 -4.032 8.997 261 HD3 LYS 30 HD3 LYS 30 0.716 -5.450 10.000 262 HE2 LYS 30 HE2 LYS 30 0.389 -3.317 11.236 263 HE3 LYS 30 HE3 LYS 30 1.646 -4.323 11.957 264 HZ1 LYS 30 HZ1 LYS 30 3.321 -2.951 11.061 265 HZ2 LYS 30 HZ2 LYS 30 2.182 -1.909 11.750 266 HZ3 LYS 30 HZ3 LYS 30 2.237 -2.112 10.073 267 H THR 31 H THR 31 3.042 -6.334 5.566 268 HA THR 31 HA THR 31 4.013 -8.853 4.402 269 HB THR 31 HB THR 31 1.735 -9.372 5.051 270 HG1 THR 31 HG1 THR 31 0.903 -9.888 2.986 271 HG21 THR 31 HG21 THR 31 0.798 -7.081 5.248 272 HG22 THR 31 HG22 THR 31 -0.233 -8.105 4.249 273 HG23 THR 31 HG23 THR 31 0.826 -6.916 3.490 274 H HIS 32 H HIS 32 4.731 -8.677 2.361 275 HA HIS 32 HA HIS 32 4.858 -6.082 1.043 276 HB2 HIS 32 HB2 HIS 32 6.072 -8.779 0.284 277 HB3 HIS 32 HB3 HIS 32 6.376 -7.268 -0.572 278 HD1 HIS 32 HD1 HIS 32 8.777 -6.804 -0.032 279 HD2 HIS 32 HD2 HIS 32 6.601 -7.813 3.358 280 HE1 HIS 32 HE1 HIS 32 10.337 -6.457 1.902 281 HE2 HIS 32 HE2 HIS 32 8.935 -6.891 3.937 282 H TYR 33 H TYR 33 2.705 -8.650 1.036 283 HA TYR 33 HA TYR 33 1.481 -7.814 -1.508 284 HB2 TYR 33 HB2 TYR 33 0.956 -10.227 -2.025 285 HB3 TYR 33 HB3 TYR 33 2.655 -9.819 -2.137 286 HD1 TYR 33 HD2 TYR 33 4.217 -10.543 -0.212 287 HD2 TYR 33 HD1 TYR 33 0.231 -12.045 -0.594 288 HE1 TYR 33 HE2 TYR 33 4.784 -12.435 1.254 289 HE2 TYR 33 HE1 TYR 33 0.800 -13.928 0.873 290 HH TYR 33 HH TYR 33 2.744 -15.166 1.622 291 HA PRO 34 HA PRO 34 -1.670 -7.887 1.981 292 HB2 PRO 34 HB2 PRO 34 -2.734 -5.391 1.516 293 HB3 PRO 34 HB3 PRO 34 -1.312 -5.661 2.533 294 HG2 PRO 34 HG2 PRO 34 -1.444 -4.765 -0.337 295 HG3 PRO 34 HG3 PRO 34 -0.426 -4.140 0.978 296 HD2 PRO 34 HD2 PRO 34 0.514 -5.889 -0.901 297 HD3 PRO 34 HD3 PRO 34 1.128 -5.869 0.766 298 H ASP 35 H ASP 35 -3.509 -8.996 1.501 299 HA ASP 35 HA ASP 35 -4.517 -9.281 -1.171 300 HB2 ASP 35 HB2 ASP 35 -5.748 -10.220 1.456 301 HB3 ASP 35 HB3 ASP 35 -6.190 -10.788 -0.154 302 H VAL 36 H VAL 36 -7.095 -9.289 -1.341 303 HA VAL 36 HA VAL 36 -7.896 -6.783 -1.992 304 HB VAL 36 HB VAL 36 -9.068 -8.746 -2.801 305 HG11 VAL 36 HG11 VAL 36 -9.032 -10.157 -0.785 306 HG12 VAL 36 HG12 VAL 36 -10.666 -10.062 -1.446 307 HG13 VAL 36 HG13 VAL 36 -10.239 -9.119 -0.011 308 HG21 VAL 36 HG21 VAL 36 -11.039 -6.933 -1.341 309 HG22 VAL 36 HG22 VAL 36 -11.426 -7.985 -2.704 310 HG23 VAL 36 HG23 VAL 36 -10.329 -6.623 -2.928 311 H TYR 37 H TYR 37 -8.708 -8.330 1.122 312 HA TYR 37 HA TYR 37 -10.361 -6.230 2.123 313 HB2 TYR 37 HB2 TYR 37 -10.482 -8.634 2.854 314 HB3 TYR 37 HB3 TYR 37 -8.942 -8.436 3.684 315 HD1 TYR 37 HD2 TYR 37 -12.417 -7.053 3.558 316 HD2 TYR 37 HD1 TYR 37 -8.940 -7.698 5.964 317 HE1 TYR 37 HE2 TYR 37 -13.635 -6.247 5.547 318 HE2 TYR 37 HE1 TYR 37 -10.158 -6.906 7.947 319 HH TYR 37 HH TYR 37 -12.116 -5.410 8.427 320 H ALA 38 H ALA 38 -6.941 -7.042 2.517 321 HA ALA 38 HA ALA 38 -6.268 -5.016 4.424 322 HB1 ALA 38 HB1 ALA 38 -4.479 -6.546 2.506 323 HB2 ALA 38 HB2 ALA 38 -4.918 -7.050 4.140 324 HB3 ALA 38 HB3 ALA 38 -3.935 -5.605 3.899 325 H ARG 39 H ARG 39 -6.382 -5.106 0.888 326 HA ARG 39 HA ARG 39 -5.111 -2.626 0.304 327 HB2 ARG 39 HB2 ARG 39 -7.240 -4.165 -1.246 328 HB3 ARG 39 HB3 ARG 39 -6.390 -2.760 -1.880 329 HG2 ARG 39 HG2 ARG 39 -5.036 -5.354 -1.066 330 HG3 ARG 39 HG3 ARG 39 -5.535 -4.961 -2.712 331 HD2 ARG 39 HD2 ARG 39 -4.008 -3.015 -2.716 332 HD3 ARG 39 HD3 ARG 39 -3.513 -3.394 -1.061 333 HE ARG 39 HE ARG 39 -3.021 -5.688 -2.497 334 HH11 ARG 39 HH11 ARG 39 -1.932 -2.428 -2.828 335 HH12 ARG 39 HH12 ARG 39 -0.398 -2.902 -3.447 336 HH21 ARG 39 HH21 ARG 39 -1.087 -6.257 -3.283 337 HH22 ARG 39 HH22 ARG 39 0.072 -5.055 -3.718 338 H GLU 40 H GLU 40 -8.502 -3.541 0.978 339 HA GLU 40 HA GLU 40 -9.791 -1.089 0.515 340 HB2 GLU 40 HB2 GLU 40 -10.512 -3.293 2.501 341 HB3 GLU 40 HB3 GLU 40 -11.584 -1.965 2.059 342 HG2 GLU 40 HG2 GLU 40 -10.537 -4.103 0.182 343 HG3 GLU 40 HG3 GLU 40 -12.150 -4.041 0.881 344 H GLN 41 H GLN 41 -8.713 -2.442 3.639 345 HA GLN 41 HA GLN 41 -9.373 -0.317 5.342 346 HB2 GLN 41 HB2 GLN 41 -7.087 -2.312 5.635 347 HB3 GLN 41 HB3 GLN 41 -7.795 -1.366 6.946 348 HG2 GLN 41 HG2 GLN 41 -9.907 -2.561 6.722 349 HG3 GLN 41 HG3 GLN 41 -9.312 -3.430 5.310 350 HE21 GLN 41 HE21 GLN 41 -7.691 -5.038 5.625 351 HE22 GLN 41 HE22 GLN 41 -7.455 -5.775 7.167 352 H LEU 42 H LEU 42 -6.333 -0.988 3.649 353 HA LEU 42 HA LEU 42 -4.818 1.187 4.678 354 HB2 LEU 42 HB2 LEU 42 -3.781 -0.842 3.813 355 HB3 LEU 42 HB3 LEU 42 -4.454 -0.555 2.220 356 HG LEU 42 HG LEU 42 -2.969 1.357 1.869 357 HD11 LEU 42 HD11 LEU 42 -1.918 0.893 4.680 358 HD12 LEU 42 HD12 LEU 42 -2.885 2.268 4.138 359 HD13 LEU 42 HD13 LEU 42 -1.263 2.031 3.499 360 HD21 LEU 42 HD21 LEU 42 -1.413 -1.033 2.920 361 HD22 LEU 42 HD22 LEU 42 -0.814 0.192 1.799 362 HD23 LEU 42 HD23 LEU 42 -2.116 -0.885 1.306 363 H ALA 43 H ALA 43 -6.723 0.782 1.691 364 HA ALA 43 HA ALA 43 -5.977 3.241 0.443 365 HB1 ALA 43 HB1 ALA 43 -7.834 2.819 -1.108 366 HB2 ALA 43 HB2 ALA 43 -8.460 1.552 -0.044 367 HB3 ALA 43 HB3 ALA 43 -6.896 1.348 -0.837 368 H MET 44 H MET 44 -8.652 2.360 2.629 369 HA MET 44 HA MET 44 -10.082 4.809 2.545 370 HB2 MET 44 HB2 MET 44 -9.890 2.712 4.742 371 HB3 MET 44 HB3 MET 44 -10.988 4.091 4.807 372 HG2 MET 44 HG2 MET 44 -11.014 1.932 2.688 373 HG3 MET 44 HG3 MET 44 -12.127 2.057 4.054 374 HE1 MET 44 HE1 MET 44 -14.440 2.995 1.028 375 HE2 MET 44 HE2 MET 44 -14.238 1.951 2.435 376 HE3 MET 44 HE3 MET 44 -13.161 1.780 1.047 377 H ARG 45 H ARG 45 -7.512 3.684 4.769 378 HA ARG 45 HA ARG 45 -7.242 5.947 6.409 379 HB2 ARG 45 HB2 ARG 45 -5.241 3.842 5.517 380 HB3 ARG 45 HB3 ARG 45 -4.790 5.120 6.644 381 HG2 ARG 45 HG2 ARG 45 -6.521 4.355 8.220 382 HG3 ARG 45 HG3 ARG 45 -6.980 3.063 7.105 383 HD2 ARG 45 HD2 ARG 45 -4.958 1.888 7.454 384 HD3 ARG 45 HD3 ARG 45 -4.128 3.309 8.104 385 HE ARG 45 HE ARG 45 -6.255 1.815 9.541 386 HH11 ARG 45 HH11 ARG 45 -3.293 3.626 9.618 387 HH12 ARG 45 HH12 ARG 45 -3.190 3.548 11.344 388 HH21 ARG 45 HH21 ARG 45 -6.088 1.768 11.732 389 HH22 ARG 45 HH22 ARG 45 -4.730 2.502 12.510 390 H THR 46 H THR 46 -5.571 5.185 3.365 391 HA THR 46 HA THR 46 -4.017 7.644 3.334 392 HB THR 46 HB THR 46 -3.166 6.762 1.134 393 HG1 THR 46 HG1 THR 46 -4.256 4.260 1.425 394 HG21 THR 46 HG21 THR 46 -3.097 4.717 3.386 395 HG22 THR 46 HG22 THR 46 -2.016 6.104 3.222 396 HG23 THR 46 HG23 THR 46 -1.970 4.804 2.027 397 H ASP 47 H ASP 47 -7.160 6.862 2.356 398 HA ASP 47 HA ASP 47 -8.768 7.722 1.046 399 HB2 ASP 47 HB2 ASP 47 -7.874 9.897 2.167 400 HB3 ASP 47 HB3 ASP 47 -7.097 10.234 0.623 401 H LEU 48 H LEU 48 -6.533 6.181 -0.120 402 HA LEU 48 HA LEU 48 -6.409 7.036 -2.931 403 HB2 LEU 48 HB2 LEU 48 -5.068 4.737 -1.442 404 HB3 LEU 48 HB3 LEU 48 -4.849 5.058 -3.156 405 HG LEU 48 HG LEU 48 -4.015 6.933 -0.904 406 HD11 LEU 48 HD11 LEU 48 -2.617 4.933 -0.949 407 HD12 LEU 48 HD12 LEU 48 -1.705 6.331 -1.511 408 HD13 LEU 48 HD13 LEU 48 -2.310 5.148 -2.676 409 HD21 LEU 48 HD21 LEU 48 -3.558 7.174 -3.901 410 HD22 LEU 48 HD22 LEU 48 -2.876 8.238 -2.666 411 HD23 LEU 48 HD23 LEU 48 -4.619 8.187 -2.919 412 H THR 49 H THR 49 -6.510 5.058 -4.495 413 HA THR 49 HA THR 49 -8.837 3.288 -3.930 414 HB THR 49 HB THR 49 -7.914 4.166 -6.717 415 HG1 THR 49 HG1 THR 49 -9.864 5.378 -5.014 416 HG21 THR 49 HG21 THR 49 -9.373 2.151 -6.641 417 HG22 THR 49 HG22 THR 49 -10.185 3.513 -7.421 418 HG23 THR 49 HG23 THR 49 -10.591 3.070 -5.760 419 H GLU 50 H GLU 50 -8.684 1.174 -5.248 420 HA GLU 50 HA GLU 50 -6.637 -0.455 -4.477 421 HB2 GLU 50 HB2 GLU 50 -8.299 -0.804 -7.015 422 HB3 GLU 50 HB3 GLU 50 -7.316 -2.064 -6.288 423 HG2 GLU 50 HG2 GLU 50 -9.504 -2.569 -5.620 424 HG3 GLU 50 HG3 GLU 50 -8.776 -1.827 -4.200 425 H ALA 51 H ALA 51 -6.864 1.130 -7.692 426 HA ALA 51 HA ALA 51 -4.580 0.066 -8.914 427 HB1 ALA 51 HB1 ALA 51 -6.312 1.325 -10.140 428 HB2 ALA 51 HB2 ALA 51 -4.700 1.958 -10.481 429 HB3 ALA 51 HB3 ALA 51 -5.777 2.821 -9.376 430 H ARG 52 H ARG 52 -4.845 3.043 -6.942 431 HA ARG 52 HA ARG 52 -2.178 3.967 -7.234 432 HB2 ARG 52 HB2 ARG 52 -4.298 4.479 -5.121 433 HB3 ARG 52 HB3 ARG 52 -2.695 5.174 -4.967 434 HG2 ARG 52 HG2 ARG 52 -4.157 6.840 -5.882 435 HG3 ARG 52 HG3 ARG 52 -3.021 6.356 -7.137 436 HD2 ARG 52 HD2 ARG 52 -4.746 4.999 -8.222 437 HD3 ARG 52 HD3 ARG 52 -5.879 5.348 -6.915 438 HE ARG 52 HE ARG 52 -6.043 7.594 -7.666 439 HH11 ARG 52 HH11 ARG 52 -4.211 5.634 -9.864 440 HH12 ARG 52 HH12 ARG 52 -4.373 6.763 -11.157 441 HH21 ARG 52 HH21 ARG 52 -6.216 9.010 -9.338 442 HH22 ARG 52 HH22 ARG 52 -5.488 8.645 -10.863 443 H VAL 53 H VAL 53 -3.685 1.969 -4.698 444 HA VAL 53 HA VAL 53 -1.369 1.631 -3.078 445 HB VAL 53 HB VAL 53 -3.829 -0.179 -3.209 446 HG11 VAL 53 HG11 VAL 53 -1.958 -1.208 -1.959 447 HG12 VAL 53 HG12 VAL 53 -3.271 -0.774 -0.863 448 HG13 VAL 53 HG13 VAL 53 -1.825 0.234 -0.950 449 HG21 VAL 53 HG21 VAL 53 -4.509 2.167 -2.841 450 HG22 VAL 53 HG22 VAL 53 -3.380 2.299 -1.491 451 HG23 VAL 53 HG23 VAL 53 -4.767 1.213 -1.376 452 H GLN 54 H GLN 54 -2.738 -0.290 -5.740 453 HA GLN 54 HA GLN 54 -1.068 -2.565 -5.607 454 HB2 GLN 54 HB2 GLN 54 -2.644 -1.339 -7.905 455 HB3 GLN 54 HB3 GLN 54 -1.635 -2.759 -8.153 456 HG2 GLN 54 HG2 GLN 54 -3.944 -2.593 -6.196 457 HG3 GLN 54 HG3 GLN 54 -4.023 -3.320 -7.800 458 HE21 GLN 54 HE21 GLN 54 -4.539 -4.597 -5.236 459 HE22 GLN 54 HE22 GLN 54 -3.411 -5.896 -5.107 460 H VAL 55 H VAL 55 -0.810 0.294 -7.761 461 HA VAL 55 HA VAL 55 1.579 -0.316 -9.048 462 HB VAL 55 HB VAL 55 0.392 2.423 -8.409 463 HG11 VAL 55 HG11 VAL 55 2.662 1.800 -10.358 464 HG12 VAL 55 HG12 VAL 55 2.803 2.751 -8.876 465 HG13 VAL 55 HG13 VAL 55 1.836 3.355 -10.224 466 HG21 VAL 55 HG21 VAL 55 -0.414 2.348 -10.751 467 HG22 VAL 55 HG22 VAL 55 -1.032 0.977 -9.827 468 HG23 VAL 55 HG23 VAL 55 0.308 0.748 -10.953 469 H TRP 56 H TRP 56 1.131 1.280 -5.885 470 HA TRP 56 HA TRP 56 3.805 2.085 -5.453 471 HB2 TRP 56 HB2 TRP 56 1.803 2.831 -4.079 472 HB3 TRP 56 HB3 TRP 56 1.837 1.266 -3.271 473 HD1 TRP 56 HD1 TRP 56 3.797 4.564 -3.518 474 HE1 TRP 56 HE1 TRP 56 5.426 4.719 -1.545 475 HE3 TRP 56 HE3 TRP 56 3.250 -0.149 -1.585 476 HZ2 TRP 56 HZ2 TRP 56 6.367 3.120 0.539 477 HZ3 TRP 56 HZ3 TRP 56 4.570 -0.761 0.401 478 HH2 TRP 56 HH2 TRP 56 6.101 0.841 1.442 479 H PHE 57 H PHE 57 2.102 -0.858 -4.248 480 HA PHE 57 HA PHE 57 4.404 -2.093 -3.124 481 HB2 PHE 57 HB2 PHE 57 1.652 -3.155 -3.850 482 HB3 PHE 57 HB3 PHE 57 2.906 -4.246 -3.267 483 HD1 PHE 57 HD2 PHE 57 0.712 -1.409 -2.322 484 HD2 PHE 57 HD1 PHE 57 3.614 -4.218 -0.941 485 HE1 PHE 57 HE2 PHE 57 0.174 -0.819 -0.002 486 HE2 PHE 57 HE1 PHE 57 3.069 -3.624 1.380 487 HZ PHE 57 HZ PHE 57 1.353 -1.925 1.855 488 H GLN 58 H GLN 58 3.010 -2.346 -6.384 489 HA GLN 58 HA GLN 58 4.617 -4.448 -7.400 490 HB2 GLN 58 HB2 GLN 58 3.333 -2.065 -8.810 491 HB3 GLN 58 HB3 GLN 58 4.096 -3.401 -9.667 492 HG2 GLN 58 HG2 GLN 58 1.826 -3.908 -7.728 493 HG3 GLN 58 HG3 GLN 58 1.507 -3.367 -9.372 494 HE21 GLN 58 HE21 GLN 58 4.188 -5.585 -8.748 495 HE22 GLN 58 HE22 GLN 58 3.426 -6.959 -9.443 496 H ASN 59 H ASN 59 5.072 -0.948 -7.365 497 HA ASN 59 HA ASN 59 7.546 -0.759 -8.728 498 HB2 ASN 59 HB2 ASN 59 5.854 1.085 -8.295 499 HB3 ASN 59 HB3 ASN 59 6.399 1.133 -6.627 500 HD21 ASN 59 HD21 ASN 59 6.382 3.212 -8.644 501 HD22 ASN 59 HD22 ASN 59 8.006 3.760 -8.804 502 H ARG 60 H ARG 60 6.726 -1.014 -5.279 503 HA ARG 60 HA ARG 60 9.402 -0.755 -4.284 504 HB2 ARG 60 HB2 ARG 60 6.697 -1.203 -3.082 505 HB3 ARG 60 HB3 ARG 60 8.051 -1.790 -2.135 506 HG2 ARG 60 HG2 ARG 60 7.414 0.436 -1.408 507 HG3 ARG 60 HG3 ARG 60 9.040 0.462 -2.086 508 HD2 ARG 60 HD2 ARG 60 6.584 1.288 -3.671 509 HD3 ARG 60 HD3 ARG 60 7.494 2.426 -2.679 510 HE ARG 60 HE ARG 60 8.384 1.146 -5.168 511 HH11 ARG 60 HH11 ARG 60 9.134 3.367 -2.631 512 HH12 ARG 60 HH12 ARG 60 10.407 4.105 -3.532 513 HH21 ARG 60 HH21 ARG 60 10.035 2.100 -6.268 514 HH22 ARG 60 HH22 ARG 60 10.897 3.409 -5.542 515 H ARG 61 H ARG 61 7.444 -3.544 -5.228 516 HA ARG 61 HA ARG 61 9.302 -5.458 -4.063 517 HB2 ARG 61 HB2 ARG 61 6.919 -5.874 -5.891 518 HB3 ARG 61 HB3 ARG 61 7.923 -7.188 -5.272 519 HG2 ARG 61 HG2 ARG 61 7.304 -6.601 -2.962 520 HG3 ARG 61 HG3 ARG 61 6.340 -5.242 -3.554 521 HD2 ARG 61 HD2 ARG 61 5.830 -8.189 -4.071 522 HD3 ARG 61 HD3 ARG 61 4.890 -7.119 -3.028 523 HE ARG 61 HE ARG 61 5.076 -6.420 -5.860 524 HH11 ARG 61 HH11 ARG 61 3.090 -7.637 -3.307 525 HH12 ARG 61 HH12 ARG 61 1.672 -7.666 -4.295 526 HH21 ARG 61 HH21 ARG 61 3.273 -6.467 -7.085 527 HH22 ARG 61 HH22 ARG 61 1.777 -6.997 -6.407 528 H ALA 62 H ALA 62 8.907 -3.873 -7.168 529 HA ALA 62 HA ALA 62 10.826 -5.390 -8.649 530 HB1 ALA 62 HB1 ALA 62 9.287 -3.771 -9.717 531 HB2 ALA 62 HB2 ALA 62 10.967 -3.397 -10.105 532 HB3 ALA 62 HB3 ALA 62 10.106 -2.442 -8.894 533 H LYS 63 H LYS 63 11.081 -2.480 -6.623 534 HA LYS 63 HA LYS 63 13.905 -2.134 -6.648 535 HB2 LYS 63 HB2 LYS 63 12.264 -0.361 -6.089 536 HB3 LYS 63 HB3 LYS 63 11.797 -1.237 -4.637 537 HG2 LYS 63 HG2 LYS 63 14.015 -0.851 -3.658 538 HG3 LYS 63 HG3 LYS 63 14.551 -0.059 -5.148 539 HD2 LYS 63 HD2 LYS 63 12.866 1.721 -4.819 540 HD3 LYS 63 HD3 LYS 63 12.288 0.920 -3.354 541 HE2 LYS 63 HE2 LYS 63 15.108 2.003 -3.717 542 HE3 LYS 63 HE3 LYS 63 13.794 2.868 -2.913 543 HZ1 LYS 63 HZ1 LYS 63 15.252 1.723 -1.353 544 HZ2 LYS 63 HZ2 LYS 63 14.872 0.238 -2.061 545 HZ3 LYS 63 HZ3 LYS 63 13.671 1.127 -1.273 546 H TRP 64 H TRP 64 11.747 -4.042 -4.651 547 HA TRP 64 HA TRP 64 13.448 -4.806 -2.519 548 HB2 TRP 64 HB2 TRP 64 11.022 -4.991 -2.387 549 HB3 TRP 64 HB3 TRP 64 10.991 -6.100 -3.743 550 HD1 TRP 64 HD1 TRP 64 11.861 -6.009 0.015 551 HE1 TRP 64 HE1 TRP 64 11.754 -8.414 0.912 552 HE3 TRP 64 HE3 TRP 64 11.227 -8.492 -4.400 553 HZ2 TRP 64 HZ2 TRP 64 11.455 -11.027 -0.102 554 HZ3 TRP 64 HZ3 TRP 64 11.044 -10.952 -4.363 555 HH2 TRP 64 HH2 TRP 64 11.158 -12.193 -2.253 556 H ARG 65 H ARG 65 13.309 -5.903 -5.822 557 HA ARG 65 HA ARG 65 14.700 -8.416 -5.408 558 HB2 ARG 65 HB2 ARG 65 14.162 -6.849 -7.965 559 HB3 ARG 65 HB3 ARG 65 14.772 -8.504 -7.891 560 HG2 ARG 65 HG2 ARG 65 12.692 -9.277 -6.885 561 HG3 ARG 65 HG3 ARG 65 12.087 -7.624 -6.790 562 HD2 ARG 65 HD2 ARG 65 12.175 -7.499 -9.286 563 HD3 ARG 65 HD3 ARG 65 12.642 -9.204 -9.318 564 HE ARG 65 HE ARG 65 10.419 -9.469 -7.989 565 HH11 ARG 65 HH11 ARG 65 10.882 -7.266 -10.617 566 HH12 ARG 65 HH12 ARG 65 9.225 -7.338 -11.095 567 HH21 ARG 65 HH21 ARG 65 8.313 -9.532 -8.628 568 HH22 ARG 65 HH22 ARG 65 7.796 -8.599 -9.989 569 H LYS 66 H LYS 66 15.668 -5.104 -5.897 570 HA LYS 66 HA LYS 66 17.584 -3.995 -6.320 571 HB2 LYS 66 HB2 LYS 66 18.879 -6.298 -4.804 572 HB3 LYS 66 HB3 LYS 66 19.664 -4.774 -5.174 573 HG2 LYS 66 HG2 LYS 66 19.026 -4.418 -2.976 574 HG3 LYS 66 HG3 LYS 66 17.665 -3.698 -3.844 575 HD2 LYS 66 HD2 LYS 66 16.394 -5.829 -3.532 576 HD3 LYS 66 HD3 LYS 66 17.751 -6.481 -2.612 577 HE2 LYS 66 HE2 LYS 66 17.445 -4.653 -0.941 578 HE3 LYS 66 HE3 LYS 66 16.037 -4.090 -1.847 579 HZ1 LYS 66 HZ1 LYS 66 15.391 -5.479 -0.003 580 HZ2 LYS 66 HZ2 LYS 66 16.340 -6.756 -0.578 581 HZ3 LYS 66 HZ3 LYS 66 14.999 -6.236 -1.461 582 H ARG 67 H ARG 67 17.884 -3.937 -8.528 583 HA ARG 67 HA ARG 67 19.333 -6.047 -9.926 584 HB2 ARG 67 HB2 ARG 67 17.546 -4.781 -11.064 585 HB3 ARG 67 HB3 ARG 67 18.440 -3.282 -10.845 586 HG2 ARG 67 HG2 ARG 67 20.110 -3.915 -12.422 587 HG3 ARG 67 HG3 ARG 67 19.586 -5.601 -12.432 588 HD2 ARG 67 HD2 ARG 67 17.891 -3.291 -13.459 589 HD3 ARG 67 HD3 ARG 67 18.945 -4.280 -14.480 590 HE ARG 67 HE ARG 67 16.774 -5.517 -12.898 591 HH11 ARG 67 HH11 ARG 67 18.119 -4.831 -16.019 592 HH12 ARG 67 HH12 ARG 67 17.128 -6.008 -16.802 593 HH21 ARG 67 HH21 ARG 67 15.531 -7.001 -13.955 594 HH22 ARG 67 HH22 ARG 67 15.689 -7.200 -15.662 595 H GLU 68 H GLU 68 21.433 -5.795 -10.859 596 HA GLU 68 HA GLU 68 23.651 -5.414 -10.858 597 HB2 GLU 68 HB2 GLU 68 22.952 -2.626 -9.834 598 HB3 GLU 68 HB3 GLU 68 24.551 -3.125 -10.386 599 HG2 GLU 68 HG2 GLU 68 23.634 -3.553 -12.646 600 HG3 GLU 68 HG3 GLU 68 22.037 -3.043 -12.090 601 H ARG 69 H ARG 69 22.620 -6.838 -8.736 602 HA ARG 69 HA ARG 69 23.705 -6.261 -6.189 603 HB2 ARG 69 HB2 ARG 69 23.255 -8.965 -7.536 604 HB3 ARG 69 HB3 ARG 69 23.627 -8.756 -5.827 605 HG2 ARG 69 HG2 ARG 69 21.500 -7.543 -5.500 606 HG3 ARG 69 HG3 ARG 69 21.132 -7.718 -7.221 607 HD2 ARG 69 HD2 ARG 69 21.051 -10.159 -6.985 608 HD3 ARG 69 HD3 ARG 69 21.530 -10.033 -5.287 609 HE ARG 69 HE ARG 69 18.999 -8.821 -6.235 610 HH11 ARG 69 HH11 ARG 69 20.611 -10.986 -4.056 611 HH12 ARG 69 HH12 ARG 69 19.145 -11.416 -3.249 612 HH21 ARG 69 HH21 ARG 69 17.143 -9.425 -5.184 613 HH22 ARG 69 HH22 ARG 69 17.225 -10.547 -3.875 614 H PHE 70 H PHE 70 25.042 -8.140 -8.905 615 HA PHE 70 HA PHE 70 27.696 -8.383 -7.743 616 HB2 PHE 70 HB2 PHE 70 28.260 -9.653 -9.758 617 HB3 PHE 70 HB3 PHE 70 26.717 -10.217 -9.136 618 HD1 PHE 70 HD1 PHE 70 24.561 -9.429 -10.314 619 HD2 PHE 70 HD2 PHE 70 28.445 -8.860 -12.024 620 HE1 PHE 70 HE1 PHE 70 23.546 -9.089 -12.529 621 HE2 PHE 70 HE2 PHE 70 27.412 -8.522 -14.231 622 HZ PHE 70 HZ PHE 70 24.968 -8.637 -14.481 623 H GLY 71 H GLY 71 29.637 -7.712 -9.047 624 HA2 GLY 71 HA2 GLY 71 30.876 -6.240 -10.348 625 HA3 GLY 71 HA3 GLY 71 29.396 -5.423 -10.837 626 H GLN 72 H GLN 72 31.521 -3.877 -10.333 627 HA GLN 72 HA GLN 72 31.566 -2.885 -7.587 628 HB2 GLN 72 HB2 GLN 72 32.948 -1.867 -10.116 629 HB3 GLN 72 HB3 GLN 72 33.172 -1.180 -8.515 630 HG2 GLN 72 HG2 GLN 72 35.060 -2.502 -8.708 631 HG3 GLN 72 HG3 GLN 72 33.972 -3.587 -7.854 632 HE21 GLN 72 HE21 GLN 72 36.303 -4.216 -9.465 633 HE22 GLN 72 HE22 GLN 72 35.773 -5.268 -10.723 634 H MET 73 H MET 73 31.109 -0.603 -7.056 635 HA MET 73 HA MET 73 28.684 0.434 -8.196 636 HB2 MET 73 HB2 MET 73 30.649 1.700 -6.236 637 HB3 MET 73 HB3 MET 73 29.110 2.420 -6.693 638 HG2 MET 73 HG2 MET 73 27.957 0.384 -5.767 639 HG3 MET 73 HG3 MET 73 29.525 -0.172 -5.179 640 HE1 MET 73 HE1 MET 73 27.472 3.716 -3.694 641 HE2 MET 73 HE2 MET 73 26.723 2.621 -4.856 642 HE3 MET 73 HE3 MET 73 28.151 3.550 -5.314 643 H GLN 74 H GLN 74 28.455 2.635 -9.088 644 HA GLN 74 HA GLN 74 30.099 2.913 -11.413 645 HB2 GLN 74 HB2 GLN 74 27.679 3.317 -11.484 646 HB3 GLN 74 HB3 GLN 74 27.843 4.657 -10.351 647 HG2 GLN 74 HG2 GLN 74 29.143 5.920 -12.019 648 HG3 GLN 74 HG3 GLN 74 29.021 4.578 -13.152 649 HE21 GLN 74 HE21 GLN 74 27.018 4.163 -14.135 650 HE22 GLN 74 HE22 GLN 74 25.765 5.344 -14.171 651 H GLN 75 H GLN 75 31.718 4.328 -11.872 652 HA GLN 75 HA GLN 75 32.363 6.510 -9.960 653 HB2 GLN 75 HB2 GLN 75 33.917 4.585 -9.638 654 HB3 GLN 75 HB3 GLN 75 34.369 4.664 -11.334 655 HG2 GLN 75 HG2 GLN 75 36.105 5.681 -9.969 656 HG3 GLN 75 HG3 GLN 75 35.334 6.919 -10.965 657 HE21 GLN 75 HE21 GLN 75 35.988 8.585 -9.570 658 HE22 GLN 75 HE22 GLN 75 35.288 8.817 -8.013 Start of MODEL 20 1 H1 SER 1 H1 SER 1 11.462 5.472 -42.733 2 H2 SER 1 H2 SER 1 9.851 5.530 -42.225 3 H3 SER 1 H3 SER 1 10.690 4.067 -42.190 4 HA SER 1 HA SER 1 12.176 4.895 -40.505 5 HB2 SER 1 HB2 SER 1 12.136 7.283 -41.150 6 HB3 SER 1 HB3 SER 1 10.461 7.415 -40.614 7 HG SER 1 HG SER 1 11.491 8.066 -38.858 8 H HIS 2 H HIS 2 11.655 4.734 -38.211 9 HA HIS 2 HA HIS 2 8.817 4.199 -37.521 10 HB2 HIS 2 HB2 HIS 2 11.207 2.428 -36.830 11 HB3 HIS 2 HB3 HIS 2 9.638 2.291 -36.046 12 HD1 HIS 2 HD1 HIS 2 7.615 1.526 -37.607 13 HD2 HIS 2 HD2 HIS 2 11.412 1.059 -39.242 14 HE1 HIS 2 HE1 HIS 2 7.334 -0.090 -39.505 15 HE2 HIS 2 HE2 HIS 2 9.667 -0.489 -40.365 16 H MET 3 H MET 3 8.171 5.095 -35.631 17 HA MET 3 HA MET 3 10.119 6.479 -33.896 18 HB2 MET 3 HB2 MET 3 7.073 6.638 -34.027 19 HB3 MET 3 HB3 MET 3 8.086 7.594 -32.948 20 HG2 MET 3 HG2 MET 3 9.141 8.689 -34.869 21 HG3 MET 3 HG3 MET 3 8.189 7.700 -35.978 22 HE1 MET 3 HE1 MET 3 4.559 9.075 -35.386 23 HE2 MET 3 HE2 MET 3 5.276 7.690 -34.563 24 HE3 MET 3 HE3 MET 3 5.557 7.936 -36.289 25 H SER 4 H SER 4 9.748 6.344 -31.490 26 HA SER 4 HA SER 4 9.862 3.559 -30.722 27 HB2 SER 4 HB2 SER 4 10.508 4.448 -28.473 28 HB3 SER 4 HB3 SER 4 11.473 5.139 -29.776 29 HG SER 4 HG SER 4 9.164 6.477 -28.833 30 H ASN 5 H ASN 5 7.620 3.006 -31.215 31 HA ASN 5 HA ASN 5 5.513 2.373 -30.697 32 HB2 ASN 5 HB2 ASN 5 6.740 1.615 -28.595 33 HB3 ASN 5 HB3 ASN 5 6.194 3.088 -27.807 34 HD21 ASN 5 HD21 ASN 5 5.044 1.905 -26.247 35 HD22 ASN 5 HD22 ASN 5 3.607 1.025 -26.609 36 H LYS 6 H LYS 6 3.312 3.133 -29.702 37 HA LYS 6 HA LYS 6 3.121 6.092 -29.758 38 HB2 LYS 6 HB2 LYS 6 0.704 5.746 -30.283 39 HB3 LYS 6 HB3 LYS 6 1.799 5.112 -31.504 40 HG2 LYS 6 HG2 LYS 6 1.428 2.819 -30.606 41 HG3 LYS 6 HG3 LYS 6 0.271 3.479 -29.443 42 HD2 LYS 6 HD2 LYS 6 0.028 3.560 -32.481 43 HD3 LYS 6 HD3 LYS 6 -0.894 2.521 -31.391 44 HE2 LYS 6 HE2 LYS 6 -2.039 4.445 -30.439 45 HE3 LYS 6 HE3 LYS 6 -1.011 5.562 -31.338 46 HZ1 LYS 6 HZ1 LYS 6 -3.119 5.356 -32.412 47 HZ2 LYS 6 HZ2 LYS 6 -2.984 3.675 -32.485 48 HZ3 LYS 6 HZ3 LYS 6 -1.939 4.644 -33.396 49 H GLY 7 H GLY 7 3.558 6.673 -27.705 50 HA2 GLY 7 HA2 GLY 7 2.568 5.265 -25.378 51 HA3 GLY 7 HA3 GLY 7 3.544 6.719 -25.395 52 H LYS 8 H LYS 8 0.272 5.452 -25.527 53 HA LYS 8 HA LYS 8 -0.909 8.127 -25.112 54 HB2 LYS 8 HB2 LYS 8 -3.073 7.066 -25.504 55 HB3 LYS 8 HB3 LYS 8 -1.958 6.638 -26.796 56 HG2 LYS 8 HG2 LYS 8 -1.611 4.409 -25.764 57 HG3 LYS 8 HG3 LYS 8 -2.734 4.839 -24.468 58 HD2 LYS 8 HD2 LYS 8 -4.536 5.128 -26.210 59 HD3 LYS 8 HD3 LYS 8 -3.392 4.556 -27.430 60 HE2 LYS 8 HE2 LYS 8 -4.360 2.956 -25.027 61 HE3 LYS 8 HE3 LYS 8 -4.920 2.758 -26.686 62 HZ1 LYS 8 HZ1 LYS 8 -2.668 2.112 -27.316 63 HZ2 LYS 8 HZ2 LYS 8 -3.283 1.094 -26.118 64 HZ3 LYS 8 HZ3 LYS 8 -2.151 2.280 -25.719 65 H LYS 9 H LYS 9 0.687 6.455 -23.071 66 HA LYS 9 HA LYS 9 -1.032 5.416 -21.077 67 HB2 LYS 9 HB2 LYS 9 1.845 6.395 -20.825 68 HB3 LYS 9 HB3 LYS 9 1.003 5.425 -19.622 69 HG2 LYS 9 HG2 LYS 9 1.664 4.542 -22.458 70 HG3 LYS 9 HG3 LYS 9 2.555 4.088 -21.001 71 HD2 LYS 9 HD2 LYS 9 -0.360 3.415 -21.559 72 HD3 LYS 9 HD3 LYS 9 0.997 2.308 -21.780 73 HE2 LYS 9 HE2 LYS 9 0.170 3.546 -19.126 74 HE3 LYS 9 HE3 LYS 9 -0.242 1.916 -19.657 75 HZ1 LYS 9 HZ1 LYS 9 1.661 1.928 -18.168 76 HZ2 LYS 9 HZ2 LYS 9 2.521 2.931 -19.224 77 HZ3 LYS 9 HZ3 LYS 9 2.107 1.363 -19.697 78 H ARG 10 H ARG 10 -2.450 6.552 -19.925 79 HA ARG 10 HA ARG 10 -2.118 9.406 -19.344 80 HB2 ARG 10 HB2 ARG 10 -4.447 7.543 -18.693 81 HB3 ARG 10 HB3 ARG 10 -4.462 9.302 -18.598 82 HG2 ARG 10 HG2 ARG 10 -4.181 7.668 -21.147 83 HG3 ARG 10 HG3 ARG 10 -5.660 8.447 -20.579 84 HD2 ARG 10 HD2 ARG 10 -4.496 10.665 -20.754 85 HD3 ARG 10 HD3 ARG 10 -3.094 9.834 -21.447 86 HE ARG 10 HE ARG 10 -5.423 9.183 -22.910 87 HH11 ARG 10 HH11 ARG 10 -3.212 11.827 -22.507 88 HH12 ARG 10 HH12 ARG 10 -3.617 12.514 -24.039 89 HH21 ARG 10 HH21 ARG 10 -5.895 10.082 -24.846 90 HH22 ARG 10 HH22 ARG 10 -5.112 11.542 -25.341 91 H ARG 11 H ARG 11 -2.193 10.317 -17.259 92 HA ARG 11 HA ARG 11 -1.899 10.644 -15.062 93 HB2 ARG 11 HB2 ARG 11 -3.168 7.898 -14.819 94 HB3 ARG 11 HB3 ARG 11 -2.705 8.845 -13.413 95 HG2 ARG 11 HG2 ARG 11 -5.034 9.208 -13.728 96 HG3 ARG 11 HG3 ARG 11 -4.232 10.691 -14.250 97 HD2 ARG 11 HD2 ARG 11 -4.441 9.939 -16.603 98 HD3 ARG 11 HD3 ARG 11 -5.271 8.483 -16.053 99 HE ARG 11 HE ARG 11 -6.462 11.041 -15.326 100 HH11 ARG 11 HH11 ARG 11 -6.556 8.297 -17.456 101 HH12 ARG 11 HH12 ARG 11 -8.101 8.725 -18.095 102 HH21 ARG 11 HH21 ARG 11 -8.423 11.550 -16.176 103 HH22 ARG 11 HH22 ARG 11 -9.145 10.538 -17.375 104 H ASN 12 H ASN 12 0.219 10.923 -14.741 105 HA ASN 12 HA ASN 12 2.005 8.631 -14.201 106 HB2 ASN 12 HB2 ASN 12 3.849 10.268 -14.354 107 HB3 ASN 12 HB3 ASN 12 2.835 10.328 -15.790 108 HD21 ASN 12 HD21 ASN 12 4.641 12.343 -14.388 109 HD22 ASN 12 HD22 ASN 12 3.656 13.755 -14.274 110 H ARG 13 H ARG 13 -0.146 9.956 -12.336 111 HA ARG 13 HA ARG 13 1.207 11.282 -10.222 112 HB2 ARG 13 HB2 ARG 13 -1.172 11.649 -10.672 113 HB3 ARG 13 HB3 ARG 13 -1.541 9.978 -10.270 114 HG2 ARG 13 HG2 ARG 13 -2.166 11.476 -8.437 115 HG3 ARG 13 HG3 ARG 13 -0.885 10.373 -7.932 116 HD2 ARG 13 HD2 ARG 13 -0.384 12.564 -7.054 117 HD3 ARG 13 HD3 ARG 13 0.780 12.209 -8.332 118 HE ARG 13 HE ARG 13 -1.453 13.675 -9.337 119 HH11 ARG 13 HH11 ARG 13 1.488 14.090 -7.571 120 HH12 ARG 13 HH12 ARG 13 1.627 15.758 -7.984 121 HH21 ARG 13 HH21 ARG 13 -1.279 15.835 -9.806 122 HH22 ARG 13 HH22 ARG 13 0.080 16.734 -9.230 123 H THR 14 H THR 14 2.869 10.153 -9.334 124 HA THR 14 HA THR 14 2.181 7.906 -7.532 125 HB THR 14 HB THR 14 3.274 6.894 -9.526 126 HG1 THR 14 HG1 THR 14 4.942 6.900 -7.210 127 HG21 THR 14 HG21 THR 14 5.638 7.362 -10.079 128 HG22 THR 14 HG22 THR 14 5.682 8.627 -8.849 129 HG23 THR 14 HG23 THR 14 4.653 8.817 -10.271 130 H THR 15 H THR 15 2.558 10.827 -7.202 131 HA THR 15 HA THR 15 5.045 11.311 -5.827 132 HB THR 15 HB THR 15 4.005 13.504 -5.173 133 HG1 THR 15 HG1 THR 15 1.921 13.850 -5.406 134 HG21 THR 15 HG21 THR 15 5.174 13.334 -7.343 135 HG22 THR 15 HG22 THR 15 3.812 14.452 -7.435 136 HG23 THR 15 HG23 THR 15 3.668 12.833 -8.120 137 H PHE 16 H PHE 16 1.650 11.017 -4.761 138 HA PHE 16 HA PHE 16 0.603 10.566 -2.818 139 HB2 PHE 16 HB2 PHE 16 3.202 9.213 -1.970 140 HB3 PHE 16 HB3 PHE 16 1.637 9.005 -1.192 141 HD1 PHE 16 HD1 PHE 16 -0.212 7.803 -2.423 142 HD2 PHE 16 HD2 PHE 16 3.775 7.962 -3.955 143 HE1 PHE 16 HE1 PHE 16 -0.700 5.915 -3.923 144 HE2 PHE 16 HE2 PHE 16 3.274 6.077 -5.447 145 HZ PHE 16 HZ PHE 16 1.038 5.051 -5.436 146 H THR 17 H THR 17 0.705 10.853 -0.306 147 HA THR 17 HA THR 17 2.245 13.298 0.397 148 HB THR 17 HB THR 17 0.758 13.636 2.259 149 HG1 THR 17 HG1 THR 17 -0.671 12.084 2.997 150 HG21 THR 17 HG21 THR 17 -1.489 13.734 1.235 151 HG22 THR 17 HG22 THR 17 -0.957 12.661 -0.061 152 HG23 THR 17 HG23 THR 17 -0.255 14.274 0.093 153 H SER 18 H SER 18 3.006 13.289 2.802 154 HA SER 18 HA SER 18 4.868 11.200 3.271 155 HB2 SER 18 HB2 SER 18 3.825 13.312 5.199 156 HB3 SER 18 HB3 SER 18 5.248 12.304 5.478 157 HG SER 18 HG SER 18 4.929 14.043 3.252 158 H TYR 19 H TYR 19 1.592 11.769 4.520 159 HA TYR 19 HA TYR 19 1.508 9.616 6.377 160 HB2 TYR 19 HB2 TYR 19 -0.143 11.423 6.459 161 HB3 TYR 19 HB3 TYR 19 -0.743 10.992 4.860 162 HD1 TYR 19 HD2 TYR 19 -0.435 9.697 8.367 163 HD2 TYR 19 HD1 TYR 19 -2.493 9.341 4.633 164 HE1 TYR 19 HE2 TYR 19 -2.047 8.152 9.396 165 HE2 TYR 19 HE1 TYR 19 -4.092 7.792 5.665 166 HH TYR 19 HH TYR 19 -4.101 6.191 7.664 167 H GLN 20 H GLN 20 0.533 9.829 2.926 168 HA GLN 20 HA GLN 20 -0.533 7.200 2.746 169 HB2 GLN 20 HB2 GLN 20 0.565 8.983 0.535 170 HB3 GLN 20 HB3 GLN 20 -0.421 7.539 0.282 171 HG2 GLN 20 HG2 GLN 20 -2.300 8.579 1.453 172 HG3 GLN 20 HG3 GLN 20 -1.322 10.002 1.809 173 HE21 GLN 20 HE21 GLN 20 -3.821 9.937 0.399 174 HE22 GLN 20 HE22 GLN 20 -3.536 10.542 -1.177 175 H LEU 21 H LEU 21 2.744 8.464 2.127 176 HA LEU 21 HA LEU 21 3.864 6.014 1.189 177 HB2 LEU 21 HB2 LEU 21 5.164 8.507 2.330 178 HB3 LEU 21 HB3 LEU 21 6.093 7.129 1.754 179 HG LEU 21 HG LEU 21 4.267 8.891 0.066 180 HD11 LEU 21 HD11 LEU 21 6.400 9.955 0.642 181 HD12 LEU 21 HD12 LEU 21 6.323 9.566 -1.075 182 HD13 LEU 21 HD13 LEU 21 7.282 8.555 0.016 183 HD21 LEU 21 HD21 LEU 21 5.023 7.559 -1.867 184 HD22 LEU 21 HD22 LEU 21 4.132 6.570 -0.715 185 HD23 LEU 21 HD23 LEU 21 5.894 6.465 -0.785 186 H GLU 22 H GLU 22 3.804 7.505 4.495 187 HA GLU 22 HA GLU 22 5.440 5.533 5.745 188 HB2 GLU 22 HB2 GLU 22 4.736 6.419 7.876 189 HB3 GLU 22 HB3 GLU 22 4.870 7.780 6.772 190 HG2 GLU 22 HG2 GLU 22 2.419 7.779 6.490 191 HG3 GLU 22 HG3 GLU 22 2.283 6.419 7.596 192 H GLU 23 H GLU 23 1.996 5.667 5.089 193 HA GLU 23 HA GLU 23 1.139 3.415 6.628 194 HB2 GLU 23 HB2 GLU 23 -0.063 5.020 4.354 195 HB3 GLU 23 HB3 GLU 23 -0.902 3.615 5.008 196 HG2 GLU 23 HG2 GLU 23 0.006 5.702 6.959 197 HG3 GLU 23 HG3 GLU 23 -1.327 6.125 5.891 198 H LEU 24 H LEU 24 1.791 3.794 3.123 199 HA LEU 24 HA LEU 24 1.251 1.099 2.390 200 HB2 LEU 24 HB2 LEU 24 2.942 3.231 1.027 201 HB3 LEU 24 HB3 LEU 24 2.521 1.698 0.283 202 HG LEU 24 HG LEU 24 0.495 3.808 1.131 203 HD11 LEU 24 HD11 LEU 24 1.505 3.185 -1.660 204 HD12 LEU 24 HD12 LEU 24 1.846 4.641 -0.723 205 HD13 LEU 24 HD13 LEU 24 0.201 4.303 -1.248 206 HD21 LEU 24 HD21 LEU 24 0.098 1.269 -0.484 207 HD22 LEU 24 HD22 LEU 24 -1.137 2.483 -0.128 208 HD23 LEU 24 HD23 LEU 24 -0.429 1.540 1.181 209 H GLU 25 H GLU 25 4.291 2.767 3.272 210 HA GLU 25 HA GLU 25 6.071 0.577 3.196 211 HB2 GLU 25 HB2 GLU 25 5.999 3.133 4.827 212 HB3 GLU 25 HB3 GLU 25 7.252 1.936 5.117 213 HG2 GLU 25 HG2 GLU 25 6.759 3.274 2.444 214 HG3 GLU 25 HG3 GLU 25 7.941 3.820 3.630 215 H LYS 26 H LYS 26 3.994 1.772 5.857 216 HA LYS 26 HA LYS 26 4.733 0.070 7.946 217 HB2 LYS 26 HB2 LYS 26 3.268 2.053 8.198 218 HB3 LYS 26 HB3 LYS 26 1.985 1.231 7.320 219 HG2 LYS 26 HG2 LYS 26 1.833 -0.433 9.176 220 HG3 LYS 26 HG3 LYS 26 3.070 0.475 10.057 221 HD2 LYS 26 HD2 LYS 26 1.573 2.469 10.075 222 HD3 LYS 26 HD3 LYS 26 0.340 1.545 9.210 223 HE2 LYS 26 HE2 LYS 26 -0.199 1.628 11.588 224 HE3 LYS 26 HE3 LYS 26 0.211 -0.027 11.140 225 HZ1 LYS 26 HZ1 LYS 26 2.444 0.354 12.041 226 HZ2 LYS 26 HZ2 LYS 26 1.252 0.571 13.218 227 HZ3 LYS 26 HZ3 LYS 26 1.995 1.913 12.511 228 H VAL 27 H VAL 27 2.354 -0.463 5.360 229 HA VAL 27 HA VAL 27 1.492 -3.056 6.234 230 HB VAL 27 HB VAL 27 1.205 -1.677 3.527 231 HG11 VAL 27 HG11 VAL 27 -0.588 -3.338 3.038 232 HG12 VAL 27 HG12 VAL 27 -0.176 -4.208 4.517 233 HG13 VAL 27 HG13 VAL 27 0.996 -4.107 3.201 234 HG21 VAL 27 HG21 VAL 27 0.061 -0.491 5.361 235 HG22 VAL 27 HG22 VAL 27 -0.775 -1.978 5.820 236 HG23 VAL 27 HG23 VAL 27 -1.114 -1.219 4.263 237 H PHE 28 H PHE 28 3.849 -1.949 3.743 238 HA PHE 28 HA PHE 28 4.410 -4.469 2.595 239 HB2 PHE 28 HB2 PHE 28 4.972 -2.271 1.531 240 HB3 PHE 28 HB3 PHE 28 6.266 -2.053 2.700 241 HD1 PHE 28 HD1 PHE 28 5.108 -4.244 -0.098 242 HD2 PHE 28 HD2 PHE 28 8.444 -3.039 2.300 243 HE1 PHE 28 HE1 PHE 28 6.627 -5.465 -1.597 244 HE2 PHE 28 HE2 PHE 28 9.959 -4.268 0.793 245 HZ PHE 28 HZ PHE 28 9.054 -5.480 -1.156 246 H GLN 29 H GLN 29 5.954 -2.783 5.309 247 HA GLN 29 HA GLN 29 8.202 -4.538 5.573 248 HB2 GLN 29 HB2 GLN 29 7.038 -2.542 7.557 249 HB3 GLN 29 HB3 GLN 29 8.616 -3.313 7.703 250 HG2 GLN 29 HG2 GLN 29 7.772 -1.434 5.477 251 HG3 GLN 29 HG3 GLN 29 8.776 -0.998 6.857 252 HE21 GLN 29 HE21 GLN 29 9.366 -0.851 3.989 253 HE22 GLN 29 HE22 GLN 29 10.788 -1.796 3.745 254 H LYS 30 H LYS 30 4.940 -4.615 6.872 255 HA LYS 30 HA LYS 30 5.471 -6.772 8.779 256 HB2 LYS 30 HB2 LYS 30 2.820 -5.617 7.799 257 HB3 LYS 30 HB3 LYS 30 3.006 -6.758 9.131 258 HG2 LYS 30 HG2 LYS 30 4.250 -5.071 10.425 259 HG3 LYS 30 HG3 LYS 30 4.126 -3.933 9.075 260 HD2 LYS 30 HD2 LYS 30 1.609 -4.057 9.299 261 HD3 LYS 30 HD3 LYS 30 1.834 -5.046 10.748 262 HE2 LYS 30 HE2 LYS 30 2.815 -2.193 10.367 263 HE3 LYS 30 HE3 LYS 30 1.418 -2.685 11.322 264 HZ1 LYS 30 HZ1 LYS 30 4.234 -3.455 11.867 265 HZ2 LYS 30 HZ2 LYS 30 2.898 -3.896 12.797 266 HZ3 LYS 30 HZ3 LYS 30 3.360 -2.274 12.702 267 H THR 31 H THR 31 3.858 -6.362 5.642 268 HA THR 31 HA THR 31 4.231 -9.158 4.915 269 HB THR 31 HB THR 31 2.026 -9.333 5.878 270 HG1 THR 31 HG1 THR 31 0.797 -9.822 3.910 271 HG21 THR 31 HG21 THR 31 0.098 -7.957 5.157 272 HG22 THR 31 HG22 THR 31 1.164 -6.983 4.143 273 HG23 THR 31 HG23 THR 31 1.349 -6.951 5.898 274 H HIS 32 H HIS 32 4.748 -9.380 2.822 275 HA HIS 32 HA HIS 32 4.870 -7.081 1.055 276 HB2 HIS 32 HB2 HIS 32 5.658 -9.982 0.592 277 HB3 HIS 32 HB3 HIS 32 6.013 -8.650 -0.507 278 HD1 HIS 32 HD1 HIS 32 8.056 -10.543 1.182 279 HD2 HIS 32 HD2 HIS 32 7.147 -6.551 1.855 280 HE1 HIS 32 HE1 HIS 32 10.033 -9.607 2.397 281 HE2 HIS 32 HE2 HIS 32 9.365 -7.258 2.970 282 H TYR 33 H TYR 33 2.418 -9.226 1.754 283 HA TYR 33 HA TYR 33 1.090 -8.897 -0.888 284 HB2 TYR 33 HB2 TYR 33 0.844 -11.234 1.060 285 HB3 TYR 33 HB3 TYR 33 -0.101 -11.046 -0.412 286 HD1 TYR 33 HD2 TYR 33 0.962 -11.384 -2.642 287 HD2 TYR 33 HD1 TYR 33 3.180 -11.998 0.962 288 HE1 TYR 33 HE2 TYR 33 2.670 -12.628 -3.903 289 HE2 TYR 33 HE1 TYR 33 4.885 -13.243 -0.299 290 HH TYR 33 HH TYR 33 4.995 -13.287 -3.734 291 HA PRO 34 HA PRO 34 -1.981 -6.972 2.013 292 HB2 PRO 34 HB2 PRO 34 -2.993 -5.150 0.257 293 HB3 PRO 34 HB3 PRO 34 -1.486 -4.873 1.139 294 HG2 PRO 34 HG2 PRO 34 -1.870 -5.816 -1.703 295 HG3 PRO 34 HG3 PRO 34 -0.728 -4.606 -1.075 296 HD2 PRO 34 HD2 PRO 34 -0.016 -7.214 -1.608 297 HD3 PRO 34 HD3 PRO 34 0.793 -6.222 -0.374 298 H ASP 35 H ASP 35 -3.701 -8.307 2.300 299 HA ASP 35 HA ASP 35 -5.193 -9.694 0.298 300 HB2 ASP 35 HB2 ASP 35 -6.039 -8.950 3.142 301 HB3 ASP 35 HB3 ASP 35 -6.779 -10.196 2.133 302 H VAL 36 H VAL 36 -7.470 -9.261 -0.353 303 HA VAL 36 HA VAL 36 -7.812 -6.578 -1.212 304 HB VAL 36 HB VAL 36 -8.723 -8.607 -2.406 305 HG11 VAL 36 HG11 VAL 36 -9.790 -9.797 -0.544 306 HG12 VAL 36 HG12 VAL 36 -10.964 -9.480 -1.822 307 HG13 VAL 36 HG13 VAL 36 -10.973 -8.495 -0.354 308 HG21 VAL 36 HG21 VAL 36 -9.363 -6.349 -3.115 309 HG22 VAL 36 HG22 VAL 36 -10.687 -6.330 -1.946 310 HG23 VAL 36 HG23 VAL 36 -10.727 -7.455 -3.307 311 H TYR 37 H TYR 37 -9.186 -8.338 1.528 312 HA TYR 37 HA TYR 37 -11.045 -6.381 2.433 313 HB2 TYR 37 HB2 TYR 37 -10.958 -8.825 3.136 314 HB3 TYR 37 HB3 TYR 37 -9.561 -8.438 4.129 315 HD1 TYR 37 HD2 TYR 37 -13.196 -7.945 3.713 316 HD2 TYR 37 HD1 TYR 37 -9.851 -7.290 6.293 317 HE1 TYR 37 HE2 TYR 37 -14.727 -7.347 5.547 318 HE2 TYR 37 HE1 TYR 37 -11.377 -6.687 8.127 319 HH TYR 37 HH TYR 37 -13.658 -5.916 8.473 320 H ALA 38 H ALA 38 -7.622 -6.984 3.146 321 HA ALA 38 HA ALA 38 -7.219 -4.883 5.027 322 HB1 ALA 38 HB1 ALA 38 -5.200 -6.267 3.228 323 HB2 ALA 38 HB2 ALA 38 -5.678 -6.796 4.843 324 HB3 ALA 38 HB3 ALA 38 -4.812 -5.272 4.634 325 H ARG 39 H ARG 39 -7.255 -4.986 1.503 326 HA ARG 39 HA ARG 39 -6.048 -2.409 1.018 327 HB2 ARG 39 HB2 ARG 39 -7.798 -4.145 -0.779 328 HB3 ARG 39 HB3 ARG 39 -6.960 -2.686 -1.312 329 HG2 ARG 39 HG2 ARG 39 -4.787 -3.760 -0.853 330 HG3 ARG 39 HG3 ARG 39 -5.620 -5.209 -0.283 331 HD2 ARG 39 HD2 ARG 39 -6.695 -5.364 -2.585 332 HD3 ARG 39 HD3 ARG 39 -5.589 -4.083 -3.098 333 HE ARG 39 HE ARG 39 -4.150 -6.216 -1.909 334 HH11 ARG 39 HH11 ARG 39 -5.782 -5.397 -4.847 335 HH12 ARG 39 HH12 ARG 39 -4.909 -6.558 -5.780 336 HH21 ARG 39 HH21 ARG 39 -3.074 -7.727 -3.115 337 HH22 ARG 39 HH22 ARG 39 -3.403 -7.871 -4.805 338 H GLU 40 H GLU 40 -9.376 -3.575 1.550 339 HA GLU 40 HA GLU 40 -10.846 -1.300 0.838 340 HB2 GLU 40 HB2 GLU 40 -11.383 -3.109 3.232 341 HB3 GLU 40 HB3 GLU 40 -12.551 -2.015 2.493 342 HG2 GLU 40 HG2 GLU 40 -11.324 -4.479 1.218 343 HG3 GLU 40 HG3 GLU 40 -12.955 -4.345 1.863 344 H GLN 41 H GLN 41 -9.592 -2.142 4.070 345 HA GLN 41 HA GLN 41 -10.099 0.323 5.335 346 HB2 GLN 41 HB2 GLN 41 -8.145 -1.915 5.979 347 HB3 GLN 41 HB3 GLN 41 -8.435 -0.550 7.055 348 HG2 GLN 41 HG2 GLN 41 -10.576 -2.492 6.134 349 HG3 GLN 41 HG3 GLN 41 -9.719 -2.607 7.668 350 HE21 GLN 41 HE21 GLN 41 -12.610 -2.208 7.140 351 HE22 GLN 41 HE22 GLN 41 -13.041 -0.757 7.970 352 H LEU 42 H LEU 42 -7.048 -0.922 3.883 353 HA LEU 42 HA LEU 42 -5.368 1.232 4.555 354 HB2 LEU 42 HB2 LEU 42 -4.502 -0.926 3.770 355 HB3 LEU 42 HB3 LEU 42 -5.201 -0.664 2.184 356 HG LEU 42 HG LEU 42 -3.615 1.210 1.776 357 HD11 LEU 42 HD11 LEU 42 -2.420 0.530 4.479 358 HD12 LEU 42 HD12 LEU 42 -3.288 2.010 4.056 359 HD13 LEU 42 HD13 LEU 42 -1.740 1.650 3.294 360 HD21 LEU 42 HD21 LEU 42 -3.006 -1.057 1.048 361 HD22 LEU 42 HD22 LEU 42 -2.220 -1.363 2.598 362 HD23 LEU 42 HD23 LEU 42 -1.576 -0.132 1.509 363 H ALA 43 H ALA 43 -7.285 0.741 1.557 364 HA ALA 43 HA ALA 43 -6.383 3.056 0.190 365 HB1 ALA 43 HB1 ALA 43 -8.991 1.554 -0.208 366 HB2 ALA 43 HB2 ALA 43 -7.449 1.155 -0.963 367 HB3 ALA 43 HB3 ALA 43 -8.248 2.679 -1.357 368 H MET 44 H MET 44 -9.142 2.580 2.410 369 HA MET 44 HA MET 44 -10.274 5.201 1.962 370 HB2 MET 44 HB2 MET 44 -10.816 3.154 4.153 371 HB3 MET 44 HB3 MET 44 -11.733 4.642 3.938 372 HG2 MET 44 HG2 MET 44 -12.441 3.877 1.699 373 HG3 MET 44 HG3 MET 44 -11.540 2.378 1.936 374 HE1 MET 44 HE1 MET 44 -14.705 4.485 2.984 375 HE2 MET 44 HE2 MET 44 -13.784 4.440 4.489 376 HE3 MET 44 HE3 MET 44 -15.305 3.563 4.366 377 H ARG 45 H ARG 45 -8.106 3.825 4.450 378 HA ARG 45 HA ARG 45 -8.002 6.114 6.151 379 HB2 ARG 45 HB2 ARG 45 -5.987 3.857 5.766 380 HB3 ARG 45 HB3 ARG 45 -5.865 5.074 7.039 381 HG2 ARG 45 HG2 ARG 45 -8.019 4.297 7.978 382 HG3 ARG 45 HG3 ARG 45 -8.140 3.082 6.705 383 HD2 ARG 45 HD2 ARG 45 -7.331 2.033 8.744 384 HD3 ARG 45 HD3 ARG 45 -6.040 2.028 7.537 385 HE ARG 45 HE ARG 45 -6.166 4.039 9.717 386 HH11 ARG 45 HH11 ARG 45 -4.335 1.674 7.961 387 HH12 ARG 45 HH12 ARG 45 -2.857 2.103 8.735 388 HH21 ARG 45 HH21 ARG 45 -4.253 4.512 10.722 389 HH22 ARG 45 HH22 ARG 45 -2.816 3.669 10.274 390 H THR 46 H THR 46 -5.913 5.035 3.467 391 HA THR 46 HA THR 46 -4.242 7.418 3.517 392 HB THR 46 HB THR 46 -3.126 6.479 1.524 393 HG1 THR 46 HG1 THR 46 -4.410 4.060 1.489 394 HG21 THR 46 HG21 THR 46 -2.381 5.654 3.727 395 HG22 THR 46 HG22 THR 46 -2.246 4.396 2.497 396 HG23 THR 46 HG23 THR 46 -3.579 4.355 3.654 397 H ASP 47 H ASP 47 -7.307 6.779 2.230 398 HA ASP 47 HA ASP 47 -8.713 7.786 0.778 399 HB2 ASP 47 HB2 ASP 47 -6.697 10.074 0.840 400 HB3 ASP 47 HB3 ASP 47 -8.317 10.191 0.162 401 H LEU 48 H LEU 48 -6.405 6.115 -0.246 402 HA LEU 48 HA LEU 48 -5.903 7.190 -2.939 403 HB2 LEU 48 HB2 LEU 48 -4.739 4.831 -1.421 404 HB3 LEU 48 HB3 LEU 48 -4.364 5.153 -3.111 405 HG LEU 48 HG LEU 48 -3.787 7.115 -0.852 406 HD11 LEU 48 HD11 LEU 48 -1.883 5.183 -2.217 407 HD12 LEU 48 HD12 LEU 48 -2.444 5.098 -0.544 408 HD13 LEU 48 HD13 LEU 48 -1.435 6.445 -1.063 409 HD21 LEU 48 HD21 LEU 48 -2.909 7.095 -3.766 410 HD22 LEU 48 HD22 LEU 48 -2.392 8.259 -2.540 411 HD23 LEU 48 HD23 LEU 48 -4.082 8.196 -3.034 412 H THR 49 H THR 49 -6.271 5.993 -4.847 413 HA THR 49 HA THR 49 -8.512 4.195 -5.008 414 HB THR 49 HB THR 49 -6.376 4.854 -7.100 415 HG1 THR 49 HG1 THR 49 -8.944 6.046 -6.667 416 HG21 THR 49 HG21 THR 49 -8.069 4.167 -8.782 417 HG22 THR 49 HG22 THR 49 -9.162 3.682 -7.485 418 HG23 THR 49 HG23 THR 49 -7.640 2.821 -7.722 419 H GLU 50 H GLU 50 -8.486 1.934 -5.284 420 HA GLU 50 HA GLU 50 -6.531 0.381 -4.046 421 HB2 GLU 50 HB2 GLU 50 -8.638 -0.441 -6.081 422 HB3 GLU 50 HB3 GLU 50 -7.675 -1.590 -5.159 423 HG2 GLU 50 HG2 GLU 50 -8.652 -0.711 -3.061 424 HG3 GLU 50 HG3 GLU 50 -9.640 0.415 -3.998 425 H ALA 51 H ALA 51 -6.964 1.051 -7.520 426 HA ALA 51 HA ALA 51 -4.972 -0.617 -8.591 427 HB1 ALA 51 HB1 ALA 51 -6.679 0.529 -9.957 428 HB2 ALA 51 HB2 ALA 51 -5.053 0.847 -10.569 429 HB3 ALA 51 HB3 ALA 51 -5.905 2.080 -9.632 430 H ARG 52 H ARG 52 -4.718 2.816 -7.547 431 HA ARG 52 HA ARG 52 -1.968 3.135 -8.218 432 HB2 ARG 52 HB2 ARG 52 -3.465 5.064 -8.084 433 HB3 ARG 52 HB3 ARG 52 -3.749 4.783 -6.372 434 HG2 ARG 52 HG2 ARG 52 -1.651 5.598 -5.739 435 HG3 ARG 52 HG3 ARG 52 -0.930 5.280 -7.314 436 HD2 ARG 52 HD2 ARG 52 -1.182 7.692 -6.911 437 HD3 ARG 52 HD3 ARG 52 -2.136 7.162 -8.297 438 HE ARG 52 HE ARG 52 -3.516 7.403 -5.721 439 HH11 ARG 52 HH11 ARG 52 -2.944 8.736 -8.869 440 HH12 ARG 52 HH12 ARG 52 -4.244 9.862 -8.747 441 HH21 ARG 52 HH21 ARG 52 -5.200 8.865 -5.613 442 HH22 ARG 52 HH22 ARG 52 -5.493 9.934 -6.932 443 H VAL 53 H VAL 53 -3.578 2.058 -5.259 444 HA VAL 53 HA VAL 53 -1.394 1.966 -3.478 445 HB VAL 53 HB VAL 53 -3.834 0.142 -3.696 446 HG11 VAL 53 HG11 VAL 53 -2.098 -1.072 -2.447 447 HG12 VAL 53 HG12 VAL 53 -3.388 -0.564 -1.354 448 HG13 VAL 53 HG13 VAL 53 -1.860 0.319 -1.386 449 HG21 VAL 53 HG21 VAL 53 -3.283 2.489 -1.841 450 HG22 VAL 53 HG22 VAL 53 -4.736 1.485 -1.826 451 HG23 VAL 53 HG23 VAL 53 -4.379 2.500 -3.225 452 H GLN 54 H GLN 54 -2.612 -0.533 -5.749 453 HA GLN 54 HA GLN 54 -0.699 -2.547 -5.262 454 HB2 GLN 54 HB2 GLN 54 -2.225 -1.995 -7.844 455 HB3 GLN 54 HB3 GLN 54 -1.399 -3.505 -7.449 456 HG2 GLN 54 HG2 GLN 54 -2.937 -3.922 -5.618 457 HG3 GLN 54 HG3 GLN 54 -3.718 -2.359 -5.869 458 HE21 GLN 54 HE21 GLN 54 -5.744 -3.180 -6.320 459 HE22 GLN 54 HE22 GLN 54 -6.104 -4.115 -7.723 460 H VAL 55 H VAL 55 -0.735 0.021 -7.742 461 HA VAL 55 HA VAL 55 1.575 -0.595 -9.180 462 HB VAL 55 HB VAL 55 0.369 2.149 -8.602 463 HG11 VAL 55 HG11 VAL 55 2.470 1.425 -10.694 464 HG12 VAL 55 HG12 VAL 55 2.706 2.489 -9.305 465 HG13 VAL 55 HG13 VAL 55 1.619 2.970 -10.608 466 HG21 VAL 55 HG21 VAL 55 -1.144 0.597 -9.788 467 HG22 VAL 55 HG22 VAL 55 0.087 0.324 -11.022 468 HG23 VAL 55 HG23 VAL 55 -0.647 1.920 -10.847 469 H TRP 56 H TRP 56 1.289 1.382 -6.204 470 HA TRP 56 HA TRP 56 3.971 2.135 -5.898 471 HB2 TRP 56 HB2 TRP 56 2.078 2.999 -4.487 472 HB3 TRP 56 HB3 TRP 56 2.026 1.454 -3.648 473 HD1 TRP 56 HD1 TRP 56 4.085 4.673 -3.881 474 HE1 TRP 56 HE1 TRP 56 5.724 4.777 -1.910 475 HE3 TRP 56 HE3 TRP 56 3.454 -0.058 -2.005 476 HZ2 TRP 56 HZ2 TRP 56 6.639 3.133 0.152 477 HZ3 TRP 56 HZ3 TRP 56 4.764 -0.713 -0.025 478 HH2 TRP 56 HH2 TRP 56 6.326 0.848 1.027 479 H PHE 57 H PHE 57 2.294 -0.750 -4.561 480 HA PHE 57 HA PHE 57 4.541 -1.957 -3.336 481 HB2 PHE 57 HB2 PHE 57 1.863 -3.069 -4.244 482 HB3 PHE 57 HB3 PHE 57 3.080 -4.116 -3.523 483 HD1 PHE 57 HD1 PHE 57 3.798 -3.754 -1.155 484 HD2 PHE 57 HD2 PHE 57 0.535 -1.577 -2.845 485 HE1 PHE 57 HE1 PHE 57 3.034 -3.141 1.097 486 HE2 PHE 57 HE2 PHE 57 -0.215 -0.960 -0.587 487 HZ PHE 57 HZ PHE 57 1.033 -1.740 1.386 488 H GLN 58 H GLN 58 3.444 -2.071 -6.687 489 HA GLN 58 HA GLN 58 5.059 -4.291 -7.524 490 HB2 GLN 58 HB2 GLN 58 3.757 -2.038 -9.113 491 HB3 GLN 58 HB3 GLN 58 4.597 -3.399 -9.859 492 HG2 GLN 58 HG2 GLN 58 2.974 -4.958 -8.828 493 HG3 GLN 58 HG3 GLN 58 2.137 -3.595 -8.090 494 HE21 GLN 58 HE21 GLN 58 2.792 -5.269 -11.085 495 HE22 GLN 58 HE22 GLN 58 1.551 -4.503 -12.010 496 H ASN 59 H ASN 59 5.528 -0.721 -7.743 497 HA ASN 59 HA ASN 59 8.191 -0.874 -8.807 498 HB2 ASN 59 HB2 ASN 59 6.753 1.410 -7.388 499 HB3 ASN 59 HB3 ASN 59 8.363 1.559 -8.086 500 HD21 ASN 59 HD21 ASN 59 4.985 1.467 -8.753 501 HD22 ASN 59 HD22 ASN 59 5.099 1.756 -10.446 502 H ARG 60 H ARG 60 6.885 -0.886 -5.554 503 HA ARG 60 HA ARG 60 9.271 -0.461 -4.066 504 HB2 ARG 60 HB2 ARG 60 6.987 -0.252 -3.112 505 HB3 ARG 60 HB3 ARG 60 6.735 -1.976 -3.324 506 HG2 ARG 60 HG2 ARG 60 7.188 -1.676 -1.032 507 HG3 ARG 60 HG3 ARG 60 8.668 -2.349 -1.710 508 HD2 ARG 60 HD2 ARG 60 8.257 0.623 -1.241 509 HD3 ARG 60 HD3 ARG 60 8.936 -0.454 -0.022 510 HE ARG 60 HE ARG 60 10.538 -0.870 -2.175 511 HH11 ARG 60 HH11 ARG 60 9.580 1.991 -0.477 512 HH12 ARG 60 HH12 ARG 60 11.063 2.808 -0.809 513 HH21 ARG 60 HH21 ARG 60 12.435 0.187 -2.545 514 HH22 ARG 60 HH22 ARG 60 12.660 1.797 -1.969 515 H ARG 61 H ARG 61 7.647 -3.419 -5.242 516 HA ARG 61 HA ARG 61 9.627 -5.280 -4.338 517 HB2 ARG 61 HB2 ARG 61 7.381 -5.448 -6.370 518 HB3 ARG 61 HB3 ARG 61 8.483 -6.800 -6.113 519 HG2 ARG 61 HG2 ARG 61 7.800 -6.943 -3.755 520 HG3 ARG 61 HG3 ARG 61 6.725 -5.555 -3.963 521 HD2 ARG 61 HD2 ARG 61 5.267 -6.780 -5.406 522 HD3 ARG 61 HD3 ARG 61 6.435 -8.091 -5.619 523 HE ARG 61 HE ARG 61 4.676 -7.633 -3.315 524 HH11 ARG 61 HH11 ARG 61 7.290 -9.503 -4.599 525 HH12 ARG 61 HH12 ARG 61 6.946 -10.865 -3.599 526 HH21 ARG 61 HH21 ARG 61 4.261 -9.403 -2.053 527 HH22 ARG 61 HH22 ARG 61 5.262 -10.803 -2.176 528 H ALA 62 H ALA 62 9.329 -3.293 -7.242 529 HA ALA 62 HA ALA 62 11.441 -4.538 -8.745 530 HB1 ALA 62 HB1 ALA 62 9.723 -3.140 -9.820 531 HB2 ALA 62 HB2 ALA 62 11.342 -2.532 -10.165 532 HB3 ALA 62 HB3 ALA 62 10.326 -1.718 -8.968 533 H LYS 63 H LYS 63 11.367 -2.051 -6.240 534 HA LYS 63 HA LYS 63 14.207 -1.455 -6.416 535 HB2 LYS 63 HB2 LYS 63 12.217 -0.803 -4.213 536 HB3 LYS 63 HB3 LYS 63 13.840 -0.142 -4.355 537 HG2 LYS 63 HG2 LYS 63 11.610 0.335 -6.360 538 HG3 LYS 63 HG3 LYS 63 11.999 1.408 -5.025 539 HD2 LYS 63 HD2 LYS 63 13.142 2.488 -6.698 540 HD3 LYS 63 HD3 LYS 63 14.423 1.411 -6.160 541 HE2 LYS 63 HE2 LYS 63 12.644 0.440 -8.380 542 HE3 LYS 63 HE3 LYS 63 13.774 1.735 -8.758 543 HZ1 LYS 63 HZ1 LYS 63 14.448 -0.968 -7.735 544 HZ2 LYS 63 HZ2 LYS 63 15.569 0.283 -7.907 545 HZ3 LYS 63 HZ3 LYS 63 14.774 -0.335 -9.263 546 H TRP 64 H TRP 64 12.164 -3.737 -4.760 547 HA TRP 64 HA TRP 64 14.039 -4.505 -2.704 548 HB2 TRP 64 HB2 TRP 64 11.552 -4.673 -2.440 549 HB3 TRP 64 HB3 TRP 64 11.514 -5.923 -3.681 550 HD1 TRP 64 HD1 TRP 64 12.677 -5.346 -0.043 551 HE1 TRP 64 HE1 TRP 64 12.950 -7.629 1.101 552 HE3 TRP 64 HE3 TRP 64 11.884 -8.387 -4.077 553 HZ2 TRP 64 HZ2 TRP 64 12.840 -10.357 0.405 554 HZ3 TRP 64 HZ3 TRP 64 11.991 -10.828 -3.760 555 HH2 TRP 64 HH2 TRP 64 12.457 -11.795 -1.557 556 H ARG 65 H ARG 65 13.123 -5.788 -5.911 557 HA ARG 65 HA ARG 65 15.322 -7.787 -5.740 558 HB2 ARG 65 HB2 ARG 65 13.012 -8.787 -5.542 559 HB3 ARG 65 HB3 ARG 65 12.663 -8.214 -7.171 560 HG2 ARG 65 HG2 ARG 65 14.389 -9.657 -8.103 561 HG3 ARG 65 HG3 ARG 65 14.932 -10.124 -6.487 562 HD2 ARG 65 HD2 ARG 65 12.704 -11.174 -6.085 563 HD3 ARG 65 HD3 ARG 65 12.237 -10.764 -7.740 564 HE ARG 65 HE ARG 65 14.451 -12.608 -7.040 565 HH11 ARG 65 HH11 ARG 65 11.894 -11.696 -9.185 566 HH12 ARG 65 HH12 ARG 65 12.066 -13.107 -10.155 567 HH21 ARG 65 HH21 ARG 65 14.686 -14.382 -8.290 568 HH22 ARG 65 HH22 ARG 65 13.637 -14.637 -9.637 569 H LYS 66 H LYS 66 16.558 -8.122 -7.590 570 HA LYS 66 HA LYS 66 16.172 -6.342 -9.919 571 HB2 LYS 66 HB2 LYS 66 17.592 -5.119 -8.348 572 HB3 LYS 66 HB3 LYS 66 18.665 -6.505 -8.175 573 HG2 LYS 66 HG2 LYS 66 19.375 -6.263 -10.524 574 HG3 LYS 66 HG3 LYS 66 18.270 -4.902 -10.723 575 HD2 LYS 66 HD2 LYS 66 19.549 -3.583 -9.094 576 HD3 LYS 66 HD3 LYS 66 20.615 -4.960 -8.783 577 HE2 LYS 66 HE2 LYS 66 21.652 -3.290 -10.309 578 HE3 LYS 66 HE3 LYS 66 21.462 -4.863 -11.081 579 HZ1 LYS 66 HZ1 LYS 66 19.523 -4.051 -12.242 580 HZ2 LYS 66 HZ2 LYS 66 20.828 -3.015 -12.529 581 HZ3 LYS 66 HZ3 LYS 66 19.617 -2.562 -11.447 582 H ARG 67 H ARG 67 17.795 -9.215 -8.584 583 HA ARG 67 HA ARG 67 19.547 -9.771 -10.712 584 HB2 ARG 67 HB2 ARG 67 18.376 -11.558 -8.563 585 HB3 ARG 67 HB3 ARG 67 19.564 -12.149 -9.720 586 HG2 ARG 67 HG2 ARG 67 20.008 -9.855 -7.773 587 HG3 ARG 67 HG3 ARG 67 20.578 -11.514 -7.553 588 HD2 ARG 67 HD2 ARG 67 21.927 -11.281 -9.650 589 HD3 ARG 67 HD3 ARG 67 21.407 -9.597 -9.768 590 HE ARG 67 HE ARG 67 23.257 -10.747 -7.791 591 HH11 ARG 67 HH11 ARG 67 21.742 -7.873 -9.066 592 HH12 ARG 67 HH12 ARG 67 22.859 -6.823 -8.268 593 HH21 ARG 67 HH21 ARG 67 24.660 -9.370 -6.815 594 HH22 ARG 67 HH22 ARG 67 24.491 -7.662 -7.015 595 H GLU 68 H GLU 68 16.735 -11.991 -10.051 596 HA GLU 68 HA GLU 68 16.471 -12.381 -12.978 597 HB2 GLU 68 HB2 GLU 68 15.102 -13.983 -10.779 598 HB3 GLU 68 HB3 GLU 68 15.130 -14.354 -12.492 599 HG2 GLU 68 HG2 GLU 68 16.717 -15.835 -11.784 600 HG3 GLU 68 HG3 GLU 68 17.762 -14.450 -12.099 601 H ARG 69 H ARG 69 14.319 -12.439 -13.952 602 HA ARG 69 HA ARG 69 12.442 -10.480 -12.832 603 HB2 ARG 69 HB2 ARG 69 11.280 -10.612 -15.005 604 HB3 ARG 69 HB3 ARG 69 12.994 -10.258 -15.207 605 HG2 ARG 69 HG2 ARG 69 13.389 -12.644 -15.814 606 HG3 ARG 69 HG3 ARG 69 11.655 -12.950 -15.669 607 HD2 ARG 69 HD2 ARG 69 12.264 -12.634 -18.017 608 HD3 ARG 69 HD3 ARG 69 11.224 -11.310 -17.483 609 HE ARG 69 HE ARG 69 13.899 -10.534 -17.155 610 HH11 ARG 69 HH11 ARG 69 11.760 -11.220 -19.797 611 HH12 ARG 69 HH12 ARG 69 12.567 -10.121 -20.858 612 HH21 ARG 69 HH21 ARG 69 14.909 -9.168 -18.528 613 HH22 ARG 69 HH22 ARG 69 14.326 -8.969 -20.142 614 H PHE 70 H PHE 70 12.642 -13.937 -13.484 615 HA PHE 70 HA PHE 70 11.383 -15.751 -13.035 616 HB2 PHE 70 HB2 PHE 70 11.858 -15.101 -10.716 617 HB3 PHE 70 HB3 PHE 70 10.443 -14.057 -10.691 618 HD1 PHE 70 HD2 PHE 70 11.376 -17.663 -11.239 619 HD2 PHE 70 HD1 PHE 70 8.429 -14.915 -9.788 620 HE1 PHE 70 HE2 PHE 70 10.022 -19.541 -10.401 621 HE2 PHE 70 HE1 PHE 70 7.089 -16.801 -8.955 622 HZ PHE 70 HZ PHE 70 7.883 -19.113 -9.260 623 H GLY 71 H GLY 71 10.052 -15.912 -14.817 624 HA2 GLY 71 HA2 GLY 71 7.213 -15.554 -14.428 625 HA3 GLY 71 HA3 GLY 71 7.881 -14.422 -15.598 626 H GLN 72 H GLN 72 6.090 -15.782 -16.741 627 HA GLN 72 HA GLN 72 6.802 -18.364 -17.775 628 HB2 GLN 72 HB2 GLN 72 4.465 -17.570 -17.552 629 HB3 GLN 72 HB3 GLN 72 4.752 -16.322 -18.749 630 HG2 GLN 72 HG2 GLN 72 5.224 -19.158 -19.599 631 HG3 GLN 72 HG3 GLN 72 3.555 -18.677 -19.317 632 HE21 GLN 72 HE21 GLN 72 2.656 -17.024 -20.639 633 HE22 GLN 72 HE22 GLN 72 3.321 -16.666 -22.188 634 H MET 73 H MET 73 6.860 -15.051 -19.164 635 HA MET 73 HA MET 73 9.262 -15.725 -20.688 636 HB2 MET 73 HB2 MET 73 7.352 -16.259 -22.240 637 HB3 MET 73 HB3 MET 73 6.812 -14.587 -22.117 638 HG2 MET 73 HG2 MET 73 8.066 -14.971 -24.185 639 HG3 MET 73 HG3 MET 73 8.915 -13.825 -23.142 640 HE1 MET 73 HE1 MET 73 11.254 -14.127 -24.413 641 HE2 MET 73 HE2 MET 73 10.428 -15.180 -25.566 642 HE3 MET 73 HE3 MET 73 11.930 -15.708 -24.809 643 H GLN 74 H GLN 74 6.938 -13.005 -20.951 644 HA GLN 74 HA GLN 74 8.386 -11.097 -19.430 645 HB2 GLN 74 HB2 GLN 74 10.055 -11.323 -21.243 646 HB3 GLN 74 HB3 GLN 74 8.823 -10.996 -22.455 647 HG2 GLN 74 HG2 GLN 74 8.592 -8.695 -21.625 648 HG3 GLN 74 HG3 GLN 74 9.758 -9.022 -20.344 649 HE21 GLN 74 HE21 GLN 74 9.815 -7.056 -22.560 650 HE22 GLN 74 HE22 GLN 74 11.296 -7.343 -23.396 651 H GLN 75 H GLN 75 7.064 -9.322 -19.081 652 HA GLN 75 HA GLN 75 4.452 -9.244 -20.378 653 HB2 GLN 75 HB2 GLN 75 3.941 -7.457 -18.640 654 HB3 GLN 75 HB3 GLN 75 4.329 -9.050 -18.022 655 HG2 GLN 75 HG2 GLN 75 5.481 -7.691 -16.542 656 HG3 GLN 75 HG3 GLN 75 6.745 -8.069 -17.705 657 HE21 GLN 75 HE21 GLN 75 7.917 -6.210 -17.111 658 HE22 GLN 75 HE22 GLN 75 7.411 -4.618 -17.547
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