NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26376 | 2kj5 | 16312 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -1.935 -14.587 15.262 2 H2 MET 1 H2 MET 1 -3.464 -13.881 15.113 3 H3 MET 1 H3 MET 1 -2.087 -13.012 14.648 4 HA MET 1 HA MET 1 -3.139 -15.470 13.374 5 HB2 MET 1 HB2 MET 1 -3.116 -12.569 12.547 6 HB3 MET 1 HB3 MET 1 -3.317 -13.870 11.382 7 HG2 MET 1 HG2 MET 1 -5.464 -12.980 11.990 8 HG3 MET 1 HG3 MET 1 -5.310 -14.627 12.593 9 HE1 MET 1 HE1 MET 1 -7.607 -12.739 13.612 10 HE2 MET 1 HE2 MET 1 -7.538 -13.011 15.354 11 HE3 MET 1 HE3 MET 1 -7.344 -14.366 14.239 12 H ALA 2 H ALA 2 -1.964 -16.242 11.610 13 HA ALA 2 HA ALA 2 -0.071 -16.980 10.611 14 HB1 ALA 2 HB1 ALA 2 1.743 -15.450 10.126 15 HB2 ALA 2 HB2 ALA 2 1.108 -14.292 11.295 16 HB3 ALA 2 HB3 ALA 2 0.190 -14.661 9.837 17 H GLU 3 H GLU 3 2.305 -17.476 11.067 18 HA GLU 3 HA GLU 3 2.521 -18.648 13.605 19 HB2 GLU 3 HB2 GLU 3 4.779 -18.003 11.700 20 HB3 GLU 3 HB3 GLU 3 4.820 -19.186 12.999 21 HG2 GLU 3 HG2 GLU 3 4.453 -20.539 11.200 22 HG3 GLU 3 HG3 GLU 3 2.796 -20.227 11.712 23 H LYS 4 H LYS 4 4.260 -15.828 12.285 24 HA LYS 4 HA LYS 4 4.062 -14.531 14.842 25 HB2 LYS 4 HB2 LYS 4 6.495 -14.024 15.021 26 HB3 LYS 4 HB3 LYS 4 6.088 -15.704 15.305 27 HG2 LYS 4 HG2 LYS 4 7.028 -14.808 12.608 28 HG3 LYS 4 HG3 LYS 4 8.176 -15.114 13.911 29 HD2 LYS 4 HD2 LYS 4 7.118 -17.386 14.158 30 HD3 LYS 4 HD3 LYS 4 6.232 -17.053 12.669 31 HE2 LYS 4 HE2 LYS 4 8.390 -16.715 11.507 32 HE3 LYS 4 HE3 LYS 4 9.230 -17.155 12.994 33 HZ1 LYS 4 HZ1 LYS 4 8.112 -19.328 12.898 34 HZ2 LYS 4 HZ2 LYS 4 9.092 -19.052 11.540 35 HZ3 LYS 4 HZ3 LYS 4 7.412 -18.892 11.415 36 H ASN 5 H ASN 5 5.512 -14.346 11.588 37 HA ASN 5 HA ASN 5 4.311 -11.716 11.280 38 HB2 ASN 5 HB2 ASN 5 6.462 -10.728 10.463 39 HB3 ASN 5 HB3 ASN 5 6.451 -11.092 12.182 40 HD21 ASN 5 HD21 ASN 5 8.702 -11.114 12.229 41 HD22 ASN 5 HD22 ASN 5 9.629 -12.412 11.549 42 H ALA 6 H ALA 6 4.275 -14.529 10.114 43 HA ALA 6 HA ALA 6 5.176 -14.017 7.377 44 HB1 ALA 6 HB1 ALA 6 4.271 -16.586 8.670 45 HB2 ALA 6 HB2 ALA 6 5.945 -16.077 8.445 46 HB3 ALA 6 HB3 ALA 6 4.931 -16.420 7.044 47 H TYR 7 H TYR 7 2.860 -12.625 8.196 48 HA TYR 7 HA TYR 7 0.685 -14.099 6.913 49 HB2 TYR 7 HB2 TYR 7 -0.752 -12.193 7.744 50 HB3 TYR 7 HB3 TYR 7 -0.031 -13.208 8.985 51 HD1 TYR 7 HD2 TYR 7 0.011 -9.884 7.418 52 HD2 TYR 7 HD1 TYR 7 1.616 -12.326 10.511 53 HE1 TYR 7 HE2 TYR 7 0.914 -7.886 8.524 54 HE2 TYR 7 HE1 TYR 7 2.517 -10.328 11.627 55 HH TYR 7 HH TYR 7 1.571 -7.200 10.821 56 H THR 8 H THR 8 -0.817 -12.648 5.580 57 HA THR 8 HA THR 8 0.838 -11.626 3.427 58 HB THR 8 HB THR 8 -1.376 -11.567 2.196 59 HG1 THR 8 HG1 THR 8 -3.122 -12.621 3.202 60 HG21 THR 8 HG21 THR 8 0.175 -13.446 1.968 61 HG22 THR 8 HG22 THR 8 -1.498 -14.003 1.938 62 HG23 THR 8 HG23 THR 8 -0.527 -14.207 3.396 63 H VAL 9 H VAL 9 0.087 -9.653 2.239 64 HA VAL 9 HA VAL 9 -0.053 -7.457 4.032 65 HB VAL 9 HB VAL 9 1.075 -7.312 1.842 66 HG11 VAL 9 HG11 VAL 9 -0.244 -6.981 -0.196 67 HG12 VAL 9 HG12 VAL 9 -1.707 -7.378 0.705 68 HG13 VAL 9 HG13 VAL 9 -0.449 -8.595 0.487 69 HG21 VAL 9 HG21 VAL 9 0.241 -5.080 1.203 70 HG22 VAL 9 HG22 VAL 9 0.462 -5.260 2.944 71 HG23 VAL 9 HG23 VAL 9 -1.157 -5.332 2.250 72 H ALA 10 H ALA 10 -2.460 -9.333 2.363 73 HA ALA 10 HA ALA 10 -4.638 -7.552 2.591 74 HB1 ALA 10 HB1 ALA 10 -4.704 -9.566 1.193 75 HB2 ALA 10 HB2 ALA 10 -6.054 -9.518 2.326 76 HB3 ALA 10 HB3 ALA 10 -4.675 -10.570 2.644 77 H GLN 11 H GLN 11 -3.257 -9.937 4.799 78 HA GLN 11 HA GLN 11 -5.213 -9.453 6.851 79 HB2 GLN 11 HB2 GLN 11 -3.765 -11.580 6.467 80 HB3 GLN 11 HB3 GLN 11 -2.506 -10.691 7.310 81 HG2 GLN 11 HG2 GLN 11 -5.227 -11.132 8.499 82 HG3 GLN 11 HG3 GLN 11 -3.919 -12.297 8.673 83 HE21 GLN 11 HE21 GLN 11 -5.372 -10.674 10.648 84 HE22 GLN 11 HE22 GLN 11 -4.151 -9.795 11.506 85 H LEU 12 H LEU 12 -1.947 -8.407 6.077 86 HA LEU 12 HA LEU 12 -1.359 -6.889 8.334 87 HB2 LEU 12 HB2 LEU 12 0.289 -7.363 6.617 88 HB3 LEU 12 HB3 LEU 12 -0.606 -6.410 5.450 89 HG LEU 12 HG LEU 12 -0.148 -4.379 6.791 90 HD11 LEU 12 HD11 LEU 12 1.550 -4.472 8.554 91 HD12 LEU 12 HD12 LEU 12 1.572 -6.231 8.433 92 HD13 LEU 12 HD13 LEU 12 0.113 -5.404 8.978 93 HD21 LEU 12 HD21 LEU 12 2.225 -4.211 6.217 94 HD22 LEU 12 HD22 LEU 12 1.291 -4.956 4.920 95 HD23 LEU 12 HD23 LEU 12 2.286 -5.957 5.976 96 H ALA 13 H ALA 13 -3.433 -6.173 5.609 97 HA ALA 13 HA ALA 13 -3.773 -3.429 5.929 98 HB1 ALA 13 HB1 ALA 13 -4.639 -4.707 4.021 99 HB2 ALA 13 HB2 ALA 13 -5.882 -3.695 4.757 100 HB3 ALA 13 HB3 ALA 13 -5.859 -5.431 5.068 101 H ASP 14 H ASP 14 -5.314 -6.117 7.627 102 HA ASP 14 HA ASP 14 -7.203 -4.582 9.082 103 HB2 ASP 14 HB2 ASP 14 -7.418 -7.013 8.872 104 HB3 ASP 14 HB3 ASP 14 -5.912 -7.242 9.751 105 H GLU 15 H GLU 15 -3.977 -5.775 9.838 106 HA GLU 15 HA GLU 15 -3.672 -4.662 12.391 107 HB2 GLU 15 HB2 GLU 15 -2.158 -6.354 11.565 108 HB3 GLU 15 HB3 GLU 15 -1.661 -5.324 10.231 109 HG2 GLU 15 HG2 GLU 15 0.106 -5.193 11.721 110 HG3 GLU 15 HG3 GLU 15 -0.810 -3.721 12.030 111 H TYR 16 H TYR 16 -2.701 -3.435 9.211 112 HA TYR 16 HA TYR 16 -1.470 -1.077 10.027 113 HB2 TYR 16 HB2 TYR 16 -1.237 -1.974 7.767 114 HB3 TYR 16 HB3 TYR 16 -2.940 -1.671 7.448 115 HD1 TYR 16 HD1 TYR 16 0.270 0.029 8.213 116 HD2 TYR 16 HD2 TYR 16 -3.641 0.395 6.590 117 HE1 TYR 16 HE1 TYR 16 0.839 2.262 7.358 118 HE2 TYR 16 HE2 TYR 16 -3.084 2.630 5.729 119 HH TYR 16 HH TYR 16 0.042 3.789 5.504 120 H PHE 17 H PHE 17 -4.857 -1.636 9.085 121 HA PHE 17 HA PHE 17 -5.675 1.051 9.309 122 HB2 PHE 17 HB2 PHE 17 -6.957 -0.764 8.152 123 HB3 PHE 17 HB3 PHE 17 -7.384 -1.409 9.734 124 HD1 PHE 17 HD1 PHE 17 -7.762 1.499 7.490 125 HD2 PHE 17 HD2 PHE 17 -9.150 -0.474 11.000 126 HE1 PHE 17 HE1 PHE 17 -9.703 3.010 7.569 127 HE2 PHE 17 HE2 PHE 17 -11.091 1.034 11.083 128 HZ PHE 17 HZ PHE 17 -11.371 2.778 9.366 129 H GLU 18 H GLU 18 -5.620 -1.606 11.635 130 HA GLU 18 HA GLU 18 -6.968 -0.140 13.683 131 HB2 GLU 18 HB2 GLU 18 -7.009 -2.601 13.533 132 HB3 GLU 18 HB3 GLU 18 -5.285 -2.646 13.863 133 HG2 GLU 18 HG2 GLU 18 -6.595 -3.204 15.834 134 HG3 GLU 18 HG3 GLU 18 -5.661 -1.728 16.073 135 H ARG 19 H ARG 19 -3.672 -0.299 12.633 136 HA ARG 19 HA ARG 19 -2.779 0.790 15.204 137 HB2 ARG 19 HB2 ARG 19 -1.218 -0.383 12.910 138 HB3 ARG 19 HB3 ARG 19 -0.465 0.403 14.290 139 HG2 ARG 19 HG2 ARG 19 -2.095 -2.121 14.268 140 HG3 ARG 19 HG3 ARG 19 -0.397 -1.921 14.712 141 HD2 ARG 19 HD2 ARG 19 -1.174 -0.439 16.587 142 HD3 ARG 19 HD3 ARG 19 -2.821 -0.931 16.205 143 HE ARG 19 HE ARG 19 -0.831 -2.444 17.611 144 HH11 ARG 19 HH11 ARG 19 -3.677 -2.737 15.596 145 HH12 ARG 19 HH12 ARG 19 -4.162 -4.253 16.282 146 HH21 ARG 19 HH21 ARG 19 -1.469 -4.406 18.534 147 HH22 ARG 19 HH22 ARG 19 -2.917 -5.193 17.995 148 H MET 20 H MET 20 -2.423 1.518 11.711 149 HA MET 20 HA MET 20 -1.056 3.984 12.372 150 HB2 MET 20 HB2 MET 20 -0.453 2.538 10.415 151 HB3 MET 20 HB3 MET 20 -1.967 3.011 9.662 152 HG2 MET 20 HG2 MET 20 -0.332 4.368 8.692 153 HG3 MET 20 HG3 MET 20 -1.166 5.397 9.851 154 HE1 MET 20 HE1 MET 20 -0.041 6.608 11.812 155 HE2 MET 20 HE2 MET 20 1.425 6.040 12.611 156 HE3 MET 20 HE3 MET 20 -0.031 5.044 12.628 157 H ILE 21 H ILE 21 -4.256 2.989 11.416 158 HA ILE 21 HA ILE 21 -5.125 5.698 10.899 159 HB ILE 21 HB ILE 21 -6.535 3.037 10.899 160 HG12 ILE 21 HG12 ILE 21 -7.088 3.791 8.553 161 HG13 ILE 21 HG13 ILE 21 -6.030 5.170 8.819 162 HG21 ILE 21 HG21 ILE 21 -7.899 5.704 10.581 163 HG22 ILE 21 HG22 ILE 21 -8.091 4.601 11.944 164 HG23 ILE 21 HG23 ILE 21 -8.635 4.119 10.336 165 HD11 ILE 21 HD11 ILE 21 -4.151 3.629 9.166 166 HD12 ILE 21 HD12 ILE 21 -4.890 3.453 7.574 167 HD13 ILE 21 HD13 ILE 21 -5.227 2.271 8.838 168 H ALA 22 H ALA 22 -4.756 3.647 13.598 169 HA ALA 22 HA ALA 22 -6.650 5.049 15.267 170 HB1 ALA 22 HB1 ALA 22 -5.748 3.706 17.091 171 HB2 ALA 22 HB2 ALA 22 -4.469 3.112 16.031 172 HB3 ALA 22 HB3 ALA 22 -6.152 2.699 15.702 173 H GLY 23 H GLY 23 -3.664 5.769 14.020 174 HA2 GLY 23 HA2 GLY 23 -2.728 7.254 16.355 175 HA3 GLY 23 HA3 GLY 23 -1.834 7.000 14.862 176 H ARG 24 H ARG 24 -2.992 8.043 12.884 177 HA ARG 24 HA ARG 24 -4.403 10.493 13.510 178 HB2 ARG 24 HB2 ARG 24 -1.824 10.834 13.681 179 HB3 ARG 24 HB3 ARG 24 -1.861 10.743 11.927 180 HG2 ARG 24 HG2 ARG 24 -3.510 12.683 13.525 181 HG3 ARG 24 HG3 ARG 24 -1.905 13.048 12.898 182 HD2 ARG 24 HD2 ARG 24 -2.668 12.765 10.634 183 HD3 ARG 24 HD3 ARG 24 -4.241 12.195 11.191 184 HE ARG 24 HE ARG 24 -3.952 14.691 12.302 185 HH11 ARG 24 HH11 ARG 24 -3.903 13.403 9.036 186 HH12 ARG 24 HH12 ARG 24 -4.575 14.841 8.330 187 HH21 ARG 24 HH21 ARG 24 -4.813 16.566 11.382 188 HH22 ARG 24 HH22 ARG 24 -5.081 16.656 9.667 189 H TRP 25 H TRP 25 -6.063 10.151 12.183 190 HA TRP 25 HA TRP 25 -5.474 9.510 9.376 191 HB2 TRP 25 HB2 TRP 25 -7.330 8.004 9.299 192 HB3 TRP 25 HB3 TRP 25 -6.393 7.580 10.724 193 HD1 TRP 25 HD1 TRP 25 -9.839 8.259 9.642 194 HE1 TRP 25 HE1 TRP 25 -11.416 8.533 11.655 195 HE3 TRP 25 HE3 TRP 25 -6.357 8.787 13.361 196 HZ2 TRP 25 HZ2 TRP 25 -11.223 8.938 14.431 197 HZ3 TRP 25 HZ3 TRP 25 -7.148 9.129 15.664 198 HH2 TRP 25 HH2 TRP 25 -9.528 9.204 16.185 199 H LYS 26 H LYS 26 -7.921 10.827 11.574 200 HA LYS 26 HA LYS 26 -9.313 12.570 11.523 201 HB2 LYS 26 HB2 LYS 26 -7.083 13.682 10.958 202 HB3 LYS 26 HB3 LYS 26 -7.693 13.788 9.314 203 HG2 LYS 26 HG2 LYS 26 -8.102 15.869 10.416 204 HG3 LYS 26 HG3 LYS 26 -9.647 15.055 10.169 205 HD2 LYS 26 HD2 LYS 26 -8.125 14.832 12.759 206 HD3 LYS 26 HD3 LYS 26 -9.234 16.163 12.445 207 HE2 LYS 26 HE2 LYS 26 -11.047 14.541 12.068 208 HE3 LYS 26 HE3 LYS 26 -9.928 13.229 12.423 209 HZ1 LYS 26 HZ1 LYS 26 -10.898 15.323 14.284 210 HZ2 LYS 26 HZ2 LYS 26 -9.616 14.279 14.654 211 HZ3 LYS 26 HZ3 LYS 26 -11.164 13.651 14.375 212 H HIS 27 H HIS 27 -8.913 10.819 8.607 213 HA HIS 27 HA HIS 27 -11.562 11.679 7.707 214 HB2 HIS 27 HB2 HIS 27 -9.135 11.420 5.912 215 HB3 HIS 27 HB3 HIS 27 -10.787 11.604 5.333 216 HD1 HIS 27 HD1 HIS 27 -7.996 13.551 5.429 217 HD2 HIS 27 HD2 HIS 27 -11.817 14.154 6.962 218 HE1 HIS 27 HE1 HIS 27 -8.225 16.036 5.726 219 HE2 HIS 27 HE2 HIS 27 -10.596 16.392 6.491 220 HA PRO 28 HA PRO 28 -11.165 7.182 8.343 221 HB2 PRO 28 HB2 PRO 28 -14.093 7.448 8.649 222 HB3 PRO 28 HB3 PRO 28 -12.907 6.734 9.746 223 HG2 PRO 28 HG2 PRO 28 -14.029 9.077 10.317 224 HG3 PRO 28 HG3 PRO 28 -12.316 8.791 10.655 225 HD2 PRO 28 HD2 PRO 28 -13.579 10.249 8.358 226 HD3 PRO 28 HD3 PRO 28 -12.190 10.724 9.363 227 H ASN 29 H ASN 29 -13.739 8.742 6.434 228 HA ASN 29 HA ASN 29 -14.483 6.417 5.026 229 HB2 ASN 29 HB2 ASN 29 -15.679 7.896 3.494 230 HB3 ASN 29 HB3 ASN 29 -15.945 8.390 5.160 231 HD21 ASN 29 HD21 ASN 29 -16.081 9.809 2.543 232 HD22 ASN 29 HD22 ASN 29 -15.106 11.230 2.764 233 H ILE 30 H ILE 30 -12.043 8.853 4.430 234 HA ILE 30 HA ILE 30 -11.427 8.026 1.778 235 HB ILE 30 HB ILE 30 -9.789 9.600 3.771 236 HG12 ILE 30 HG12 ILE 30 -11.472 10.448 1.402 237 HG13 ILE 30 HG13 ILE 30 -11.866 10.704 3.098 238 HG21 ILE 30 HG21 ILE 30 -8.420 10.287 1.844 239 HG22 ILE 30 HG22 ILE 30 -9.312 9.157 0.825 240 HG23 ILE 30 HG23 ILE 30 -8.316 8.553 2.149 241 HD11 ILE 30 HD11 ILE 30 -11.028 12.730 2.032 242 HD12 ILE 30 HD12 ILE 30 -9.517 11.903 1.651 243 HD13 ILE 30 HD13 ILE 30 -9.963 12.193 3.332 244 H VAL 31 H VAL 31 -9.797 7.479 4.904 245 HA VAL 31 HA VAL 31 -7.748 5.893 3.781 246 HB VAL 31 HB VAL 31 -7.209 5.233 6.106 247 HG11 VAL 31 HG11 VAL 31 -6.641 7.481 6.897 248 HG12 VAL 31 HG12 VAL 31 -7.740 8.172 5.702 249 HG13 VAL 31 HG13 VAL 31 -6.306 7.289 5.176 250 HG21 VAL 31 HG21 VAL 31 -9.616 6.891 6.843 251 HG22 VAL 31 HG22 VAL 31 -8.448 6.197 7.969 252 HG23 VAL 31 HG23 VAL 31 -9.481 5.140 7.005 253 H ARG 32 H ARG 32 -10.915 5.075 5.081 254 HA ARG 32 HA ARG 32 -10.374 2.294 5.353 255 HB2 ARG 32 HB2 ARG 32 -12.359 3.891 6.254 256 HB3 ARG 32 HB3 ARG 32 -13.172 3.145 4.886 257 HG2 ARG 32 HG2 ARG 32 -11.893 1.702 7.203 258 HG3 ARG 32 HG3 ARG 32 -13.622 1.901 6.911 259 HD2 ARG 32 HD2 ARG 32 -13.497 0.559 4.929 260 HD3 ARG 32 HD3 ARG 32 -11.739 0.492 5.029 261 HE ARG 32 HE ARG 32 -13.234 -0.620 7.274 262 HH11 ARG 32 HH11 ARG 32 -11.465 -1.153 4.317 263 HH12 ARG 32 HH12 ARG 32 -11.177 -2.842 4.615 264 HH21 ARG 32 HH21 ARG 32 -12.844 -2.843 7.715 265 HH22 ARG 32 HH22 ARG 32 -11.979 -3.809 6.554 266 H SER 33 H SER 33 -11.980 4.229 2.835 267 HA SER 33 HA SER 33 -12.681 2.015 1.218 268 HB2 SER 33 HB2 SER 33 -12.979 3.774 -0.568 269 HB3 SER 33 HB3 SER 33 -13.885 4.052 0.920 270 HG SER 33 HG SER 33 -12.696 5.756 1.354 271 H ARG 34 H ARG 34 -9.842 4.060 1.402 272 HA ARG 34 HA ARG 34 -8.500 3.340 -0.924 273 HB2 ARG 34 HB2 ARG 34 -7.798 4.463 1.667 274 HB3 ARG 34 HB3 ARG 34 -6.518 3.447 1.027 275 HG2 ARG 34 HG2 ARG 34 -6.159 5.741 0.396 276 HG3 ARG 34 HG3 ARG 34 -6.509 4.768 -1.032 277 HD2 ARG 34 HD2 ARG 34 -8.649 5.680 -1.267 278 HD3 ARG 34 HD3 ARG 34 -8.667 6.292 0.388 279 HE ARG 34 HE ARG 34 -6.579 7.601 -0.799 280 HH11 ARG 34 HH11 ARG 34 -9.982 7.221 -1.604 281 HH12 ARG 34 HH12 ARG 34 -10.132 8.829 -2.256 282 HH21 ARG 34 HH21 ARG 34 -6.779 9.706 -1.627 283 HH22 ARG 34 HH22 ARG 34 -8.308 10.235 -2.268 284 H ILE 35 H ILE 35 -8.660 1.704 2.194 285 HA ILE 35 HA ILE 35 -6.652 -0.175 1.864 286 HB ILE 35 HB ILE 35 -9.242 -0.494 3.390 287 HG12 ILE 35 HG12 ILE 35 -7.966 1.465 4.103 288 HG13 ILE 35 HG13 ILE 35 -7.916 0.214 5.339 289 HG21 ILE 35 HG21 ILE 35 -8.049 -2.169 4.717 290 HG22 ILE 35 HG22 ILE 35 -6.652 -2.015 3.651 291 HG23 ILE 35 HG23 ILE 35 -8.175 -2.644 3.023 292 HD11 ILE 35 HD11 ILE 35 -5.674 -0.416 4.608 293 HD12 ILE 35 HD12 ILE 35 -5.757 1.282 5.082 294 HD13 ILE 35 HD13 ILE 35 -5.726 0.842 3.374 295 H GLU 36 H GLU 36 -10.135 -0.610 1.199 296 HA GLU 36 HA GLU 36 -9.702 -3.287 0.277 297 HB2 GLU 36 HB2 GLU 36 -12.172 -1.556 0.136 298 HB3 GLU 36 HB3 GLU 36 -12.115 -3.272 -0.234 299 HG2 GLU 36 HG2 GLU 36 -11.591 -1.994 2.437 300 HG3 GLU 36 HG3 GLU 36 -13.013 -2.922 1.969 301 H LYS 37 H LYS 37 -9.720 -0.182 -1.236 302 HA LYS 37 HA LYS 37 -10.511 -1.248 -3.813 303 HB2 LYS 37 HB2 LYS 37 -11.362 0.916 -3.314 304 HB3 LYS 37 HB3 LYS 37 -9.757 1.521 -2.913 305 HG2 LYS 37 HG2 LYS 37 -9.061 1.330 -5.202 306 HG3 LYS 37 HG3 LYS 37 -10.592 0.577 -5.640 307 HD2 LYS 37 HD2 LYS 37 -11.785 2.596 -5.235 308 HD3 LYS 37 HD3 LYS 37 -10.360 3.356 -4.511 309 HE2 LYS 37 HE2 LYS 37 -9.235 3.452 -6.559 310 HE3 LYS 37 HE3 LYS 37 -10.337 2.313 -7.314 311 HZ1 LYS 37 HZ1 LYS 37 -10.792 4.530 -8.094 312 HZ2 LYS 37 HZ2 LYS 37 -10.972 5.105 -6.506 313 HZ3 LYS 37 HZ3 LYS 37 -12.094 4.005 -7.144 314 H ASP 38 H ASP 38 -7.627 0.548 -2.663 315 HA ASP 38 HA ASP 38 -6.229 -0.636 -4.966 316 HB2 ASP 38 HB2 ASP 38 -6.701 1.864 -4.999 317 HB3 ASP 38 HB3 ASP 38 -5.501 2.001 -3.715 318 H ILE 39 H ILE 39 -5.946 0.160 -1.545 319 HA ILE 39 HA ILE 39 -3.235 -0.261 -1.136 320 HB ILE 39 HB ILE 39 -5.559 -0.888 0.685 321 HG12 ILE 39 HG12 ILE 39 -5.283 1.476 0.118 322 HG13 ILE 39 HG13 ILE 39 -4.891 1.193 1.809 323 HG21 ILE 39 HG21 ILE 39 -3.690 -2.269 1.373 324 HG22 ILE 39 HG22 ILE 39 -3.939 -0.964 2.533 325 HG23 ILE 39 HG23 ILE 39 -2.622 -0.866 1.365 326 HD11 ILE 39 HD11 ILE 39 -2.514 1.250 1.266 327 HD12 ILE 39 HD12 ILE 39 -3.330 2.741 0.793 328 HD13 ILE 39 HD13 ILE 39 -2.909 1.541 -0.428 329 H LYS 40 H LYS 40 -5.833 -2.625 -1.369 330 HA LYS 40 HA LYS 40 -3.826 -4.761 -1.514 331 HB2 LYS 40 HB2 LYS 40 -5.852 -6.284 -1.382 332 HB3 LYS 40 HB3 LYS 40 -5.537 -5.318 0.053 333 HG2 LYS 40 HG2 LYS 40 -7.216 -3.658 -1.140 334 HG3 LYS 40 HG3 LYS 40 -7.761 -5.152 -1.901 335 HD2 LYS 40 HD2 LYS 40 -7.496 -4.776 1.077 336 HD3 LYS 40 HD3 LYS 40 -8.993 -4.524 0.184 337 HE2 LYS 40 HE2 LYS 40 -8.843 -6.881 -0.600 338 HE3 LYS 40 HE3 LYS 40 -7.445 -7.094 0.455 339 HZ1 LYS 40 HZ1 LYS 40 -10.126 -6.226 1.413 340 HZ2 LYS 40 HZ2 LYS 40 -8.786 -6.662 2.363 341 HZ3 LYS 40 HZ3 LYS 40 -9.583 -7.833 1.438 342 HA PRO 41 HA PRO 41 -4.737 -3.603 -5.845 343 HB2 PRO 41 HB2 PRO 41 -2.065 -4.609 -6.443 344 HB3 PRO 41 HB3 PRO 41 -2.701 -2.971 -6.602 345 HG2 PRO 41 HG2 PRO 41 -0.855 -3.647 -4.739 346 HG3 PRO 41 HG3 PRO 41 -2.064 -2.376 -4.476 347 HD2 PRO 41 HD2 PRO 41 -2.057 -5.213 -3.505 348 HD3 PRO 41 HD3 PRO 41 -2.513 -3.727 -2.642 349 H ALA 42 H ALA 42 -2.719 -6.466 -5.239 350 HA ALA 42 HA ALA 42 -4.601 -8.287 -6.326 351 HB1 ALA 42 HB1 ALA 42 -3.837 -7.309 -8.444 352 HB2 ALA 42 HB2 ALA 42 -3.346 -8.998 -8.303 353 HB3 ALA 42 HB3 ALA 42 -2.172 -7.712 -8.024 354 H ILE 43 H ILE 43 -1.346 -7.508 -5.416 355 HA ILE 43 HA ILE 43 -0.610 -10.195 -4.726 356 HB ILE 43 HB ILE 43 1.324 -8.964 -3.574 357 HG12 ILE 43 HG12 ILE 43 0.263 -6.647 -5.195 358 HG13 ILE 43 HG13 ILE 43 -0.014 -6.801 -3.466 359 HG21 ILE 43 HG21 ILE 43 2.434 -8.526 -5.722 360 HG22 ILE 43 HG22 ILE 43 0.873 -8.620 -6.537 361 HG23 ILE 43 HG23 ILE 43 1.539 -10.045 -5.738 362 HD11 ILE 43 HD11 ILE 43 1.838 -5.303 -3.941 363 HD12 ILE 43 HD12 ILE 43 2.666 -6.586 -4.823 364 HD13 ILE 43 HD13 ILE 43 2.403 -6.738 -3.086 365 H GLY 44 H GLY 44 -3.039 -8.936 -3.446 366 HA2 GLY 44 HA2 GLY 44 -2.453 -8.326 -0.735 367 HA3 GLY 44 HA3 GLY 44 -4.025 -8.792 -1.377 368 H SER 45 H SER 45 -3.216 -11.289 -2.446 369 HA SER 45 HA SER 45 -3.247 -12.888 -0.042 370 HB2 SER 45 HB2 SER 45 -3.156 -13.836 -2.913 371 HB3 SER 45 HB3 SER 45 -3.730 -14.730 -1.505 372 HG SER 45 HG SER 45 -5.165 -12.572 -1.501 373 H LEU 46 H LEU 46 -0.841 -11.316 -1.018 374 HA LEU 46 HA LEU 46 1.118 -13.515 -0.922 375 HB2 LEU 46 HB2 LEU 46 1.021 -12.255 -3.093 376 HB3 LEU 46 HB3 LEU 46 1.466 -10.805 -2.218 377 HG LEU 46 HG LEU 46 3.617 -11.858 -1.607 378 HD11 LEU 46 HD11 LEU 46 2.910 -14.192 -1.676 379 HD12 LEU 46 HD12 LEU 46 4.297 -13.918 -2.731 380 HD13 LEU 46 HD13 LEU 46 2.682 -14.077 -3.421 381 HD21 LEU 46 HD21 LEU 46 3.004 -11.821 -4.559 382 HD22 LEU 46 HD22 LEU 46 4.610 -11.733 -3.839 383 HD23 LEU 46 HD23 LEU 46 3.453 -10.429 -3.576 384 H LYS 47 H LYS 47 3.206 -12.827 0.153 385 HA LYS 47 HA LYS 47 2.480 -11.474 2.612 386 HB2 LYS 47 HB2 LYS 47 5.019 -12.892 1.817 387 HB3 LYS 47 HB3 LYS 47 4.735 -12.171 3.392 388 HG2 LYS 47 HG2 LYS 47 2.779 -13.702 3.648 389 HG3 LYS 47 HG3 LYS 47 3.300 -14.507 2.165 390 HD2 LYS 47 HD2 LYS 47 4.837 -14.252 4.743 391 HD3 LYS 47 HD3 LYS 47 4.185 -15.727 4.026 392 HE2 LYS 47 HE2 LYS 47 5.691 -15.462 2.120 393 HE3 LYS 47 HE3 LYS 47 6.340 -13.988 2.831 394 HZ1 LYS 47 HZ1 LYS 47 7.291 -15.194 4.597 395 HZ2 LYS 47 HZ2 LYS 47 7.691 -16.053 3.189 396 HZ3 LYS 47 HZ3 LYS 47 6.451 -16.614 4.201 397 H VAL 48 H VAL 48 4.412 -10.224 3.614 398 HA VAL 48 HA VAL 48 4.705 -7.862 1.975 399 HB VAL 48 HB VAL 48 5.840 -8.331 4.734 400 HG11 VAL 48 HG11 VAL 48 6.716 -6.362 3.617 401 HG12 VAL 48 HG12 VAL 48 5.641 -5.888 4.934 402 HG13 VAL 48 HG13 VAL 48 5.078 -5.810 3.265 403 HG21 VAL 48 HG21 VAL 48 3.101 -7.306 3.996 404 HG22 VAL 48 HG22 VAL 48 3.786 -7.321 5.621 405 HG23 VAL 48 HG23 VAL 48 3.461 -8.841 4.786 406 H GLU 49 H GLU 49 6.592 -10.578 2.915 407 HA GLU 49 HA GLU 49 9.186 -9.494 2.501 408 HB2 GLU 49 HB2 GLU 49 8.263 -12.368 2.328 409 HB3 GLU 49 HB3 GLU 49 9.924 -11.827 2.517 410 HG2 GLU 49 HG2 GLU 49 9.460 -10.972 4.703 411 HG3 GLU 49 HG3 GLU 49 7.738 -11.301 4.511 412 H ASP 50 H ASP 50 6.701 -10.433 0.386 413 HA ASP 50 HA ASP 50 8.514 -11.226 -1.757 414 HB2 ASP 50 HB2 ASP 50 5.508 -11.355 -1.512 415 HB3 ASP 50 HB3 ASP 50 6.403 -11.859 -2.941 416 H VAL 51 H VAL 51 6.760 -8.466 -0.741 417 HA VAL 51 HA VAL 51 6.405 -7.473 -3.436 418 HB VAL 51 HB VAL 51 4.634 -6.950 -1.903 419 HG11 VAL 51 HG11 VAL 51 5.875 -6.987 0.196 420 HG12 VAL 51 HG12 VAL 51 4.918 -5.513 0.045 421 HG13 VAL 51 HG13 VAL 51 6.659 -5.466 -0.233 422 HG21 VAL 51 HG21 VAL 51 5.085 -5.311 -3.632 423 HG22 VAL 51 HG22 VAL 51 6.221 -4.476 -2.573 424 HG23 VAL 51 HG23 VAL 51 4.505 -4.518 -2.168 425 H LYS 52 H LYS 52 8.563 -7.485 -4.085 426 HA LYS 52 HA LYS 52 10.449 -5.669 -2.916 427 HB2 LYS 52 HB2 LYS 52 11.869 -6.240 -4.826 428 HB3 LYS 52 HB3 LYS 52 11.207 -7.682 -4.076 429 HG2 LYS 52 HG2 LYS 52 9.491 -7.762 -5.861 430 HG3 LYS 52 HG3 LYS 52 10.296 -6.399 -6.642 431 HD2 LYS 52 HD2 LYS 52 11.097 -8.365 -7.704 432 HD3 LYS 52 HD3 LYS 52 12.396 -7.795 -6.656 433 HE2 LYS 52 HE2 LYS 52 11.622 -9.415 -4.929 434 HE3 LYS 52 HE3 LYS 52 10.467 -10.045 -6.101 435 HZ1 LYS 52 HZ1 LYS 52 12.293 -11.459 -6.255 436 HZ2 LYS 52 HZ2 LYS 52 13.419 -10.201 -6.155 437 HZ3 LYS 52 HZ3 LYS 52 12.511 -10.409 -7.572 438 HA PRO 53 HA PRO 53 9.679 -1.705 -4.607 439 HB2 PRO 53 HB2 PRO 53 12.169 -2.067 -6.228 440 HB3 PRO 53 HB3 PRO 53 11.650 -0.683 -5.258 441 HG2 PRO 53 HG2 PRO 53 13.462 -2.393 -4.323 442 HG3 PRO 53 HG3 PRO 53 12.226 -1.700 -3.257 443 HD2 PRO 53 HD2 PRO 53 12.462 -4.447 -4.344 444 HD3 PRO 53 HD3 PRO 53 11.698 -3.887 -2.845 445 H ARG 54 H ARG 54 10.801 -4.012 -7.089 446 HA ARG 54 HA ARG 54 9.785 -2.626 -9.301 447 HB2 ARG 54 HB2 ARG 54 10.642 -5.422 -8.801 448 HB3 ARG 54 HB3 ARG 54 9.683 -5.112 -10.245 449 HG2 ARG 54 HG2 ARG 54 12.279 -3.779 -9.504 450 HG3 ARG 54 HG3 ARG 54 12.030 -4.982 -10.776 451 HD2 ARG 54 HD2 ARG 54 10.527 -3.463 -11.938 452 HD3 ARG 54 HD3 ARG 54 10.714 -2.269 -10.658 453 HE ARG 54 HE ARG 54 13.256 -2.891 -11.671 454 HH11 ARG 54 HH11 ARG 54 10.286 -1.344 -12.722 455 HH12 ARG 54 HH12 ARG 54 11.088 -0.210 -13.765 456 HH21 ARG 54 HH21 ARG 54 14.320 -1.393 -13.044 457 HH22 ARG 54 HH22 ARG 54 13.382 -0.245 -13.954 458 H HIS 55 H HIS 55 8.159 -4.668 -7.009 459 HA HIS 55 HA HIS 55 5.804 -5.068 -8.567 460 HB2 HIS 55 HB2 HIS 55 6.277 -5.210 -5.586 461 HB3 HIS 55 HB3 HIS 55 4.708 -5.524 -6.320 462 HD1 HIS 55 HD1 HIS 55 5.366 -7.315 -8.636 463 HD2 HIS 55 HD2 HIS 55 7.258 -7.635 -4.945 464 HE1 HIS 55 HE1 HIS 55 6.263 -9.662 -8.525 465 HE2 HIS 55 HE2 HIS 55 7.312 -9.873 -6.247 466 H ILE 56 H ILE 56 6.908 -2.603 -6.327 467 HA ILE 56 HA ILE 56 4.488 -1.146 -6.168 468 HB ILE 56 HB ILE 56 7.311 -0.084 -5.907 469 HG12 ILE 56 HG12 ILE 56 6.918 -1.964 -4.379 470 HG13 ILE 56 HG13 ILE 56 7.043 -0.448 -3.494 471 HG21 ILE 56 HG21 ILE 56 5.653 1.680 -6.183 472 HG22 ILE 56 HG22 ILE 56 6.294 1.674 -4.540 473 HG23 ILE 56 HG23 ILE 56 4.697 1.000 -4.865 474 HD11 ILE 56 HD11 ILE 56 4.485 -1.876 -4.188 475 HD12 ILE 56 HD12 ILE 56 4.617 -0.367 -3.286 476 HD13 ILE 56 HD13 ILE 56 5.272 -1.857 -2.609 477 H ASP 57 H ASP 57 7.248 -1.061 -8.349 478 HA ASP 57 HA ASP 57 6.522 1.175 -9.886 479 HB2 ASP 57 HB2 ASP 57 8.743 0.124 -10.005 480 HB3 ASP 57 HB3 ASP 57 8.031 -1.318 -10.720 481 H ASP 58 H ASP 58 5.597 -2.199 -10.032 482 HA ASP 58 HA ASP 58 4.174 -1.986 -12.502 483 HB2 ASP 58 HB2 ASP 58 5.126 -4.118 -11.708 484 HB3 ASP 58 HB3 ASP 58 3.999 -4.113 -10.357 485 H VAL 59 H VAL 59 3.214 -2.001 -9.069 486 HA VAL 59 HA VAL 59 0.433 -1.907 -9.661 487 HB VAL 59 HB VAL 59 0.049 -1.378 -7.315 488 HG11 VAL 59 HG11 VAL 59 1.047 -3.371 -6.325 489 HG12 VAL 59 HG12 VAL 59 2.159 -3.494 -7.688 490 HG13 VAL 59 HG13 VAL 59 0.425 -3.694 -7.944 491 HG21 VAL 59 HG21 VAL 59 1.893 0.160 -6.922 492 HG22 VAL 59 HG22 VAL 59 3.045 -1.167 -7.070 493 HG23 VAL 59 HG23 VAL 59 1.894 -1.141 -5.734 494 H LEU 60 H LEU 60 2.864 0.603 -9.116 495 HA LEU 60 HA LEU 60 1.093 2.785 -8.923 496 HB2 LEU 60 HB2 LEU 60 3.921 2.608 -9.948 497 HB3 LEU 60 HB3 LEU 60 3.055 4.126 -9.806 498 HG LEU 60 HG LEU 60 3.744 2.264 -7.527 499 HD11 LEU 60 HD11 LEU 60 5.254 4.046 -6.831 500 HD12 LEU 60 HD12 LEU 60 4.828 4.980 -8.265 501 HD13 LEU 60 HD13 LEU 60 5.681 3.446 -8.434 502 HD21 LEU 60 HD21 LEU 60 2.379 4.955 -7.527 503 HD22 LEU 60 HD22 LEU 60 2.902 4.071 -6.094 504 HD23 LEU 60 HD23 LEU 60 1.636 3.406 -7.125 505 H LYS 61 H LYS 61 2.474 1.115 -11.689 506 HA LYS 61 HA LYS 61 1.378 2.806 -13.677 507 HB2 LYS 61 HB2 LYS 61 3.226 1.420 -14.222 508 HB3 LYS 61 HB3 LYS 61 2.425 -0.014 -13.607 509 HG2 LYS 61 HG2 LYS 61 0.748 0.312 -15.481 510 HG3 LYS 61 HG3 LYS 61 1.908 1.464 -16.154 511 HD2 LYS 61 HD2 LYS 61 2.203 -0.785 -17.073 512 HD3 LYS 61 HD3 LYS 61 3.626 -0.252 -16.187 513 HE2 LYS 61 HE2 LYS 61 2.816 -1.532 -14.227 514 HE3 LYS 61 HE3 LYS 61 1.472 -2.124 -15.202 515 HZ1 LYS 61 HZ1 LYS 61 3.249 -3.733 -15.109 516 HZ2 LYS 61 HZ2 LYS 61 4.354 -2.607 -15.737 517 HZ3 LYS 61 HZ3 LYS 61 3.066 -3.159 -16.696 518 H ALA 62 H ALA 62 0.340 -0.132 -12.039 519 HA ALA 62 HA ALA 62 -1.937 -0.667 -13.614 520 HB1 ALA 62 HB1 ALA 62 -1.416 -1.464 -10.752 521 HB2 ALA 62 HB2 ALA 62 -0.864 -2.342 -12.179 522 HB3 ALA 62 HB3 ALA 62 -2.590 -2.195 -11.847 523 H VAL 63 H VAL 63 -1.566 1.092 -10.534 524 HA VAL 63 HA VAL 63 -4.333 1.532 -10.153 525 HB VAL 63 HB VAL 63 -2.849 1.714 -8.267 526 HG11 VAL 63 HG11 VAL 63 -0.861 2.541 -9.403 527 HG12 VAL 63 HG12 VAL 63 -1.260 3.537 -8.002 528 HG13 VAL 63 HG13 VAL 63 -1.636 4.109 -9.626 529 HG21 VAL 63 HG21 VAL 63 -4.060 4.396 -8.907 530 HG22 VAL 63 HG22 VAL 63 -3.597 3.830 -7.302 531 HG23 VAL 63 HG23 VAL 63 -4.898 3.026 -8.181 532 H MET 64 H MET 64 -1.872 3.372 -11.882 533 HA MET 64 HA MET 64 -3.525 5.636 -12.374 534 HB2 MET 64 HB2 MET 64 -1.103 4.580 -13.846 535 HB3 MET 64 HB3 MET 64 -1.897 6.099 -14.239 536 HG2 MET 64 HG2 MET 64 -1.409 6.943 -12.009 537 HG3 MET 64 HG3 MET 64 -0.635 5.414 -11.596 538 HE1 MET 64 HE1 MET 64 0.757 8.276 -11.244 539 HE2 MET 64 HE2 MET 64 2.382 7.907 -11.824 540 HE3 MET 64 HE3 MET 64 1.520 6.749 -10.809 541 H LYS 65 H LYS 65 -3.052 2.555 -13.941 542 HA LYS 65 HA LYS 65 -4.496 3.180 -16.306 543 HB2 LYS 65 HB2 LYS 65 -2.767 1.479 -16.279 544 HB3 LYS 65 HB3 LYS 65 -3.633 0.569 -15.058 545 HG2 LYS 65 HG2 LYS 65 -4.944 1.101 -17.678 546 HG3 LYS 65 HG3 LYS 65 -3.708 -0.154 -17.554 547 HD2 LYS 65 HD2 LYS 65 -6.169 0.030 -15.822 548 HD3 LYS 65 HD3 LYS 65 -5.994 -1.018 -17.221 549 HE2 LYS 65 HE2 LYS 65 -4.158 -1.105 -14.842 550 HE3 LYS 65 HE3 LYS 65 -5.594 -2.111 -14.998 551 HZ1 LYS 65 HZ1 LYS 65 -4.657 -3.043 -17.038 552 HZ2 LYS 65 HZ2 LYS 65 -3.643 -3.310 -15.706 553 HZ3 LYS 65 HZ3 LYS 65 -3.253 -2.106 -16.833 554 H ARG 66 H ARG 66 -5.252 1.341 -13.355 555 HA ARG 66 HA ARG 66 -7.962 0.870 -14.280 556 HB2 ARG 66 HB2 ARG 66 -8.226 -0.526 -12.354 557 HB3 ARG 66 HB3 ARG 66 -6.652 -0.862 -13.058 558 HG2 ARG 66 HG2 ARG 66 -5.580 0.496 -11.338 559 HG3 ARG 66 HG3 ARG 66 -7.160 0.864 -10.638 560 HD2 ARG 66 HD2 ARG 66 -7.520 -1.535 -10.248 561 HD3 ARG 66 HD3 ARG 66 -5.917 -1.872 -10.894 562 HE ARG 66 HE ARG 66 -5.649 -0.033 -8.794 563 HH11 ARG 66 HH11 ARG 66 -6.557 -3.387 -9.319 564 HH12 ARG 66 HH12 ARG 66 -6.072 -3.896 -7.727 565 HH21 ARG 66 HH21 ARG 66 -5.014 -0.676 -6.725 566 HH22 ARG 66 HH22 ARG 66 -5.198 -2.341 -6.240 567 H GLY 67 H GLY 67 -6.423 3.339 -12.629 568 HA2 GLY 67 HA2 GLY 67 -9.016 4.336 -11.679 569 HA3 GLY 67 HA3 GLY 67 -7.652 4.309 -10.572 570 H ALA 68 H ALA 68 -6.188 5.921 -10.627 571 HA ALA 68 HA ALA 68 -6.047 7.786 -12.821 572 HB1 ALA 68 HB1 ALA 68 -6.782 9.734 -11.544 573 HB2 ALA 68 HB2 ALA 68 -7.170 8.699 -10.170 574 HB3 ALA 68 HB3 ALA 68 -8.082 8.548 -11.672 575 HA PRO 69 HA PRO 69 -1.991 8.408 -11.142 576 HB2 PRO 69 HB2 PRO 69 -1.558 11.059 -11.661 577 HB3 PRO 69 HB3 PRO 69 -1.465 9.792 -12.889 578 HG2 PRO 69 HG2 PRO 69 -3.713 11.672 -12.274 579 HG3 PRO 69 HG3 PRO 69 -3.078 11.160 -13.850 580 HD2 PRO 69 HD2 PRO 69 -5.324 10.104 -12.809 581 HD3 PRO 69 HD3 PRO 69 -4.198 9.140 -13.788 582 H SER 70 H SER 70 -4.580 10.537 -10.146 583 HA SER 70 HA SER 70 -3.302 11.882 -8.050 584 HB2 SER 70 HB2 SER 70 -6.217 11.109 -8.039 585 HB3 SER 70 HB3 SER 70 -5.469 12.576 -7.403 586 HG SER 70 HG SER 70 -4.944 13.125 -9.603 587 H ILE 71 H ILE 71 -5.344 8.958 -7.976 588 HA ILE 71 HA ILE 71 -4.970 8.522 -5.200 589 HB ILE 71 HB ILE 71 -5.944 6.265 -5.616 590 HG12 ILE 71 HG12 ILE 71 -6.161 7.249 -8.471 591 HG13 ILE 71 HG13 ILE 71 -5.098 5.958 -7.923 592 HG21 ILE 71 HG21 ILE 71 -7.450 8.611 -6.762 593 HG22 ILE 71 HG22 ILE 71 -7.338 8.176 -5.057 594 HG23 ILE 71 HG23 ILE 71 -8.171 7.108 -6.188 595 HD11 ILE 71 HD11 ILE 71 -7.056 4.646 -7.266 596 HD12 ILE 71 HD12 ILE 71 -7.077 5.059 -8.981 597 HD13 ILE 71 HD13 ILE 71 -8.105 5.938 -7.848 598 H ALA 72 H ALA 72 -3.194 7.568 -8.031 599 HA ALA 72 HA ALA 72 -1.681 5.451 -7.079 600 HB1 ALA 72 HB1 ALA 72 0.026 6.130 -8.693 601 HB2 ALA 72 HB2 ALA 72 -0.762 7.698 -8.871 602 HB3 ALA 72 HB3 ALA 72 -1.591 6.230 -9.392 603 H ASN 73 H ASN 73 -1.093 8.934 -6.709 604 HA ASN 73 HA ASN 73 1.278 8.619 -5.147 605 HB2 ASN 73 HB2 ASN 73 -0.599 10.970 -5.483 606 HB3 ASN 73 HB3 ASN 73 0.907 11.041 -4.575 607 HD21 ASN 73 HD21 ASN 73 -0.546 10.845 -7.713 608 HD22 ASN 73 HD22 ASN 73 0.888 11.174 -8.612 609 H ASP 74 H ASP 74 -2.126 8.927 -4.494 610 HA ASP 74 HA ASP 74 -2.060 9.437 -1.738 611 HB2 ASP 74 HB2 ASP 74 -4.059 9.549 -3.311 612 HB3 ASP 74 HB3 ASP 74 -4.162 7.800 -3.165 613 H THR 75 H THR 75 -2.416 6.336 -3.474 614 HA THR 75 HA THR 75 -2.383 4.658 -1.242 615 HB THR 75 HB THR 75 -1.337 4.019 -4.010 616 HG1 THR 75 HG1 THR 75 -3.516 3.255 -4.330 617 HG21 THR 75 HG21 THR 75 -2.431 2.229 -1.837 618 HG22 THR 75 HG22 THR 75 -0.744 2.333 -2.339 619 HG23 THR 75 HG23 THR 75 -1.960 1.712 -3.455 620 H LEU 76 H LEU 76 0.291 5.691 -3.342 621 HA LEU 76 HA LEU 76 2.362 4.266 -2.145 622 HB2 LEU 76 HB2 LEU 76 2.552 5.483 -4.277 623 HB3 LEU 76 HB3 LEU 76 2.464 7.006 -3.417 624 HG LEU 76 HG LEU 76 4.591 6.410 -2.253 625 HD11 LEU 76 HD11 LEU 76 5.968 4.625 -3.232 626 HD12 LEU 76 HD12 LEU 76 4.599 4.130 -4.226 627 HD13 LEU 76 HD13 LEU 76 4.505 3.999 -2.469 628 HD21 LEU 76 HD21 LEU 76 6.023 6.855 -4.198 629 HD22 LEU 76 HD22 LEU 76 4.593 7.888 -4.174 630 HD23 LEU 76 HD23 LEU 76 4.663 6.505 -5.265 631 H ARG 77 H ARG 77 0.877 7.306 -1.268 632 HA ARG 77 HA ARG 77 2.717 8.209 0.643 633 HB2 ARG 77 HB2 ARG 77 0.892 9.546 -0.360 634 HB3 ARG 77 HB3 ARG 77 -0.276 8.609 0.556 635 HG2 ARG 77 HG2 ARG 77 0.664 9.466 2.640 636 HG3 ARG 77 HG3 ARG 77 1.849 10.400 1.718 637 HD2 ARG 77 HD2 ARG 77 -0.000 11.574 0.590 638 HD3 ARG 77 HD3 ARG 77 -1.149 10.681 1.581 639 HE ARG 77 HE ARG 77 0.834 12.274 2.999 640 HH11 ARG 77 HH11 ARG 77 -2.427 11.960 1.763 641 HH12 ARG 77 HH12 ARG 77 -3.063 13.266 2.724 642 HH21 ARG 77 HH21 ARG 77 0.005 13.981 4.289 643 HH22 ARG 77 HH22 ARG 77 -1.675 14.411 4.176 644 H TRP 78 H TRP 78 -0.110 6.087 0.957 645 HA TRP 78 HA TRP 78 0.150 5.822 3.799 646 HB2 TRP 78 HB2 TRP 78 -1.384 4.048 1.889 647 HB3 TRP 78 HB3 TRP 78 -1.600 4.151 3.632 648 HD1 TRP 78 HD1 TRP 78 -3.232 5.249 0.642 649 HE1 TRP 78 HE1 TRP 78 -4.678 7.342 1.009 650 HE3 TRP 78 HE3 TRP 78 -1.361 6.731 5.169 651 HZ2 TRP 78 HZ2 TRP 78 -4.992 9.347 2.972 652 HZ3 TRP 78 HZ3 TRP 78 -2.293 8.751 6.219 653 HH2 TRP 78 HH2 TRP 78 -4.068 10.030 5.144 654 H LEU 79 H LEU 79 1.310 4.076 1.002 655 HA LEU 79 HA LEU 79 1.980 1.638 2.205 656 HB2 LEU 79 HB2 LEU 79 3.319 3.052 -0.100 657 HB3 LEU 79 HB3 LEU 79 3.590 1.376 0.336 658 HG LEU 79 HG LEU 79 0.980 2.555 -0.612 659 HD11 LEU 79 HD11 LEU 79 2.596 2.396 -2.400 660 HD12 LEU 79 HD12 LEU 79 1.369 1.145 -2.596 661 HD13 LEU 79 HD13 LEU 79 2.962 0.728 -1.962 662 HD21 LEU 79 HD21 LEU 79 1.706 -0.293 0.075 663 HD22 LEU 79 HD22 LEU 79 0.186 0.236 -0.647 664 HD23 LEU 79 HD23 LEU 79 0.613 0.752 0.984 665 H LYS 80 H LYS 80 3.752 4.669 2.011 666 HA LYS 80 HA LYS 80 6.246 3.849 2.949 667 HB2 LYS 80 HB2 LYS 80 4.893 6.442 3.698 668 HB3 LYS 80 HB3 LYS 80 6.620 6.130 3.606 669 HG2 LYS 80 HG2 LYS 80 6.424 5.812 1.185 670 HG3 LYS 80 HG3 LYS 80 4.699 6.173 1.292 671 HD2 LYS 80 HD2 LYS 80 6.978 8.025 1.976 672 HD3 LYS 80 HD3 LYS 80 5.902 8.130 0.589 673 HE2 LYS 80 HE2 LYS 80 4.008 8.543 2.046 674 HE3 LYS 80 HE3 LYS 80 5.044 8.375 3.462 675 HZ1 LYS 80 HZ1 LYS 80 5.276 10.472 1.372 676 HZ2 LYS 80 HZ2 LYS 80 6.316 10.295 2.696 677 HZ3 LYS 80 HZ3 LYS 80 4.686 10.693 2.947 678 H ARG 81 H ARG 81 3.548 5.182 4.817 679 HA ARG 81 HA ARG 81 4.547 4.720 7.379 680 HB2 ARG 81 HB2 ARG 81 1.724 4.825 6.335 681 HB3 ARG 81 HB3 ARG 81 2.084 4.626 8.045 682 HG2 ARG 81 HG2 ARG 81 3.329 6.750 8.000 683 HG3 ARG 81 HG3 ARG 81 2.880 6.951 6.305 684 HD2 ARG 81 HD2 ARG 81 0.578 7.140 6.845 685 HD3 ARG 81 HD3 ARG 81 0.853 6.600 8.501 686 HE ARG 81 HE ARG 81 2.373 8.900 8.119 687 HH11 ARG 81 HH11 ARG 81 -1.033 8.007 8.199 688 HH12 ARG 81 HH12 ARG 81 -1.547 9.575 8.739 689 HH21 ARG 81 HH21 ARG 81 1.681 10.937 8.835 690 HH22 ARG 81 HH22 ARG 81 -0.011 11.256 9.069 691 H MET 82 H MET 82 2.771 2.573 5.223 692 HA MET 82 HA MET 82 2.354 0.451 7.012 693 HB2 MET 82 HB2 MET 82 1.220 0.606 4.842 694 HB3 MET 82 HB3 MET 82 2.751 0.360 4.014 695 HG2 MET 82 HG2 MET 82 2.924 -1.868 4.982 696 HG3 MET 82 HG3 MET 82 1.395 -1.625 5.823 697 HE1 MET 82 HE1 MET 82 -0.943 -1.385 4.608 698 HE2 MET 82 HE2 MET 82 -1.149 -1.410 2.857 699 HE3 MET 82 HE3 MET 82 -0.319 -0.058 3.628 700 H PHE 83 H PHE 83 5.000 0.991 4.674 701 HA PHE 83 HA PHE 83 6.452 -1.328 5.364 702 HB2 PHE 83 HB2 PHE 83 7.433 1.271 4.164 703 HB3 PHE 83 HB3 PHE 83 8.379 -0.209 4.262 704 HD1 PHE 83 HD1 PHE 83 6.397 -2.247 3.527 705 HD2 PHE 83 HD2 PHE 83 7.097 1.625 1.903 706 HE1 PHE 83 HE1 PHE 83 5.482 -2.992 1.369 707 HE2 PHE 83 HE2 PHE 83 6.180 0.887 -0.258 708 HZ PHE 83 HZ PHE 83 5.369 -1.422 -0.526 709 H ASN 84 H ASN 84 6.489 1.954 6.619 710 HA ASN 84 HA ASN 84 8.716 1.791 8.289 711 HB2 ASN 84 HB2 ASN 84 7.684 3.918 7.962 712 HB3 ASN 84 HB3 ASN 84 6.134 3.335 8.559 713 HD21 ASN 84 HD21 ASN 84 5.756 3.275 10.739 714 HD22 ASN 84 HD22 ASN 84 6.844 3.937 11.908 715 H TYR 85 H TYR 85 5.346 0.911 8.922 716 HA TYR 85 HA TYR 85 5.823 0.061 11.601 717 HB2 TYR 85 HB2 TYR 85 3.602 0.786 10.777 718 HB3 TYR 85 HB3 TYR 85 3.540 -0.636 9.748 719 HD1 TYR 85 HD2 TYR 85 4.212 0.087 13.364 720 HD2 TYR 85 HD1 TYR 85 2.181 -2.330 10.509 721 HE1 TYR 85 HE2 TYR 85 3.161 -1.182 15.190 722 HE2 TYR 85 HE1 TYR 85 1.125 -3.600 12.329 723 HH TYR 85 HH TYR 85 1.155 -4.026 14.552 724 H ALA 86 H ALA 86 5.807 -1.507 8.467 725 HA ALA 86 HA ALA 86 5.959 -4.173 9.377 726 HB1 ALA 86 HB1 ALA 86 7.046 -3.014 6.812 727 HB2 ALA 86 HB2 ALA 86 5.385 -3.548 7.069 728 HB3 ALA 86 HB3 ALA 86 6.706 -4.715 7.134 729 H ILE 87 H ILE 87 8.433 -1.728 8.739 730 HA ILE 87 HA ILE 87 10.625 -3.519 9.105 731 HB ILE 87 HB ILE 87 10.512 -0.502 9.090 732 HG12 ILE 87 HG12 ILE 87 11.487 -2.538 7.072 733 HG13 ILE 87 HG13 ILE 87 10.016 -1.579 6.951 734 HG21 ILE 87 HG21 ILE 87 12.962 -0.547 8.918 735 HG22 ILE 87 HG22 ILE 87 12.943 -2.291 9.179 736 HG23 ILE 87 HG23 ILE 87 12.401 -1.202 10.457 737 HD11 ILE 87 HD11 ILE 87 11.768 -0.684 5.538 738 HD12 ILE 87 HD12 ILE 87 12.828 -0.509 6.937 739 HD13 ILE 87 HD13 ILE 87 11.355 0.454 6.818 740 H LYS 88 H LYS 88 8.918 -1.260 11.257 741 HA LYS 88 HA LYS 88 10.737 -1.657 13.421 742 HB2 LYS 88 HB2 LYS 88 9.086 -0.548 14.829 743 HB3 LYS 88 HB3 LYS 88 9.325 0.336 13.331 744 HG2 LYS 88 HG2 LYS 88 7.254 -0.538 12.444 745 HG3 LYS 88 HG3 LYS 88 7.031 -1.529 13.887 746 HD2 LYS 88 HD2 LYS 88 7.157 1.488 13.852 747 HD3 LYS 88 HD3 LYS 88 5.677 0.530 13.936 748 HE2 LYS 88 HE2 LYS 88 6.461 -0.470 16.032 749 HE3 LYS 88 HE3 LYS 88 7.915 0.523 15.956 750 HZ1 LYS 88 HZ1 LYS 88 6.404 1.588 17.410 751 HZ2 LYS 88 HZ2 LYS 88 5.117 1.428 16.328 752 HZ3 LYS 88 HZ3 LYS 88 6.389 2.496 15.979 753 H ARG 89 H ARG 89 8.128 -3.455 12.133 754 HA ARG 89 HA ARG 89 7.949 -5.223 14.451 755 HB2 ARG 89 HB2 ARG 89 5.995 -4.563 12.901 756 HB3 ARG 89 HB3 ARG 89 6.710 -5.663 11.734 757 HG2 ARG 89 HG2 ARG 89 4.985 -6.833 12.862 758 HG3 ARG 89 HG3 ARG 89 6.521 -7.472 13.452 759 HD2 ARG 89 HD2 ARG 89 6.346 -6.233 15.479 760 HD3 ARG 89 HD3 ARG 89 4.973 -5.312 14.865 761 HE ARG 89 HE ARG 89 4.941 -8.036 15.892 762 HH11 ARG 89 HH11 ARG 89 3.227 -5.471 14.254 763 HH12 ARG 89 HH12 ARG 89 1.648 -6.100 14.612 764 HH21 ARG 89 HH21 ARG 89 2.873 -8.873 16.402 765 HH22 ARG 89 HH22 ARG 89 1.445 -8.047 15.829 766 H HIS 90 H HIS 90 9.911 -4.714 11.878 767 HA HIS 90 HA HIS 90 11.508 -5.785 10.734 768 HB2 HIS 90 HB2 HIS 90 12.171 -6.311 13.155 769 HB3 HIS 90 HB3 HIS 90 11.542 -7.928 12.842 770 HD1 HIS 90 HD1 HIS 90 13.226 -9.527 11.975 771 HD2 HIS 90 HD2 HIS 90 14.201 -5.590 11.061 772 HE1 HIS 90 HE1 HIS 90 15.440 -9.633 10.787 773 HE2 HIS 90 HE2 HIS 90 15.894 -7.260 10.050 774 H ILE 91 H ILE 91 8.921 -6.349 9.899 775 HA ILE 91 HA ILE 91 8.810 -9.133 9.143 776 HB ILE 91 HB ILE 91 7.379 -6.776 7.883 777 HG12 ILE 91 HG12 ILE 91 6.381 -8.665 10.031 778 HG13 ILE 91 HG13 ILE 91 6.912 -7.010 10.321 779 HG21 ILE 91 HG21 ILE 91 6.814 -9.741 7.788 780 HG22 ILE 91 HG22 ILE 91 7.404 -8.741 6.461 781 HG23 ILE 91 HG23 ILE 91 5.783 -8.484 7.103 782 HD11 ILE 91 HD11 ILE 91 5.114 -6.166 8.941 783 HD12 ILE 91 HD12 ILE 91 4.477 -7.207 10.214 784 HD13 ILE 91 HD13 ILE 91 4.607 -7.811 8.562 785 H ILE 92 H ILE 92 9.742 -6.070 7.699 786 HA ILE 92 HA ILE 92 11.390 -7.523 5.748 787 HB ILE 92 HB ILE 92 11.071 -5.558 4.205 788 HG12 ILE 92 HG12 ILE 92 8.772 -4.955 6.085 789 HG13 ILE 92 HG13 ILE 92 10.212 -3.964 5.875 790 HG21 ILE 92 HG21 ILE 92 8.915 -6.351 3.342 791 HG22 ILE 92 HG22 ILE 92 8.637 -7.212 4.856 792 HG23 ILE 92 HG23 ILE 92 9.974 -7.683 3.807 793 HD11 ILE 92 HD11 ILE 92 8.140 -4.533 3.770 794 HD12 ILE 92 HD12 ILE 92 9.578 -3.533 3.563 795 HD13 ILE 92 HD13 ILE 92 8.312 -3.034 4.685 796 H GLU 93 H GLU 93 13.244 -6.198 4.975 797 HA GLU 93 HA GLU 93 14.379 -4.794 7.293 798 HB2 GLU 93 HB2 GLU 93 15.464 -6.869 6.292 799 HB3 GLU 93 HB3 GLU 93 15.862 -5.878 4.898 800 HG2 GLU 93 HG2 GLU 93 17.768 -6.020 6.332 801 HG3 GLU 93 HG3 GLU 93 17.141 -4.374 6.378 802 H TYR 94 H TYR 94 13.177 -4.190 4.165 803 HA TYR 94 HA TYR 94 14.573 -1.608 4.101 804 HB2 TYR 94 HB2 TYR 94 14.260 -3.564 1.835 805 HB3 TYR 94 HB3 TYR 94 14.581 -1.855 1.555 806 HD1 TYR 94 HD1 TYR 94 16.706 -0.858 2.355 807 HD2 TYR 94 HD2 TYR 94 15.987 -5.045 2.548 808 HE1 TYR 94 HE1 TYR 94 19.114 -1.250 2.652 809 HE2 TYR 94 HE2 TYR 94 18.393 -5.450 2.847 810 HH TYR 94 HH TYR 94 20.592 -2.993 3.611 811 H ASN 95 H ASN 95 13.588 -0.103 2.499 812 HA ASN 95 HA ASN 95 10.655 -0.173 2.704 813 HB2 ASN 95 HB2 ASN 95 12.516 2.152 2.135 814 HB3 ASN 95 HB3 ASN 95 10.765 2.258 2.258 815 HD21 ASN 95 HD21 ASN 95 9.791 2.128 4.269 816 HD22 ASN 95 HD22 ASN 95 10.684 2.281 5.745 817 HA PRO 96 HA PRO 96 11.329 -1.516 -1.653 818 HB2 PRO 96 HB2 PRO 96 8.357 -1.639 -1.400 819 HB3 PRO 96 HB3 PRO 96 9.479 -2.812 -2.106 820 HG2 PRO 96 HG2 PRO 96 8.427 -3.245 0.290 821 HG3 PRO 96 HG3 PRO 96 10.127 -3.635 -0.031 822 HD2 PRO 96 HD2 PRO 96 8.960 -1.332 1.470 823 HD3 PRO 96 HD3 PRO 96 10.442 -2.255 1.792 824 H ALA 97 H ALA 97 9.356 1.063 -0.374 825 HA ALA 97 HA ALA 97 8.665 2.158 -2.951 826 HB1 ALA 97 HB1 ALA 97 7.672 3.984 -1.690 827 HB2 ALA 97 HB2 ALA 97 8.412 3.383 -0.206 828 HB3 ALA 97 HB3 ALA 97 7.175 2.429 -1.025 829 H ALA 98 H ALA 98 11.438 2.200 -1.032 830 HA ALA 98 HA ALA 98 12.303 4.880 -1.459 831 HB1 ALA 98 HB1 ALA 98 14.441 4.145 -0.592 832 HB2 ALA 98 HB2 ALA 98 13.956 2.458 -0.759 833 HB3 ALA 98 HB3 ALA 98 13.129 3.505 0.396 834 H ALA 99 H ALA 99 12.034 2.315 -3.579 835 HA ALA 99 HA ALA 99 14.292 2.908 -5.253 836 HB1 ALA 99 HB1 ALA 99 11.748 1.417 -5.906 837 HB2 ALA 99 HB2 ALA 99 13.227 0.692 -5.271 838 HB3 ALA 99 HB3 ALA 99 13.223 1.431 -6.873 839 H PHE 100 H PHE 100 11.455 4.472 -4.534 840 HA PHE 100 HA PHE 100 11.539 6.030 -7.029 841 HB2 PHE 100 HB2 PHE 100 9.030 5.474 -5.436 842 HB3 PHE 100 HB3 PHE 100 9.150 6.220 -7.028 843 HD1 PHE 100 HD2 PHE 100 9.815 4.834 -8.982 844 HD2 PHE 100 HD1 PHE 100 8.943 3.137 -5.179 845 HE1 PHE 100 HE2 PHE 100 9.564 2.621 -10.028 846 HE2 PHE 100 HE1 PHE 100 8.690 0.925 -6.217 847 HZ PHE 100 HZ PHE 100 9.005 0.666 -8.643 848 H ASP 101 H ASP 101 10.019 8.123 -6.458 849 HA ASP 101 HA ASP 101 11.323 9.309 -4.125 850 HB2 ASP 101 HB2 ASP 101 11.292 10.475 -6.370 851 HB3 ASP 101 HB3 ASP 101 9.555 10.680 -6.159 852 HA PRO 102 HA PRO 102 7.347 8.516 -2.151 853 HB2 PRO 102 HB2 PRO 102 8.245 8.330 0.354 854 HB3 PRO 102 HB3 PRO 102 8.571 7.061 -0.832 855 HG2 PRO 102 HG2 PRO 102 10.371 9.208 0.191 856 HG3 PRO 102 HG3 PRO 102 10.749 7.528 -0.226 857 HD2 PRO 102 HD2 PRO 102 11.191 9.759 -1.852 858 HD3 PRO 102 HD3 PRO 102 11.178 8.069 -2.390 859 H GLY 103 H GLY 103 9.309 11.246 -2.028 860 HA2 GLY 103 HA2 GLY 103 9.056 13.383 -1.265 861 HA3 GLY 103 HA3 GLY 103 7.331 13.053 -1.327 862 H ASP 104 H ASP 104 6.729 14.074 0.476 863 HA ASP 104 HA ASP 104 7.398 12.765 2.998 864 HB2 ASP 104 HB2 ASP 104 8.907 14.780 2.714 865 HB3 ASP 104 HB3 ASP 104 7.462 15.784 2.718 866 H ALA 105 H ALA 105 5.893 15.663 3.616 867 HA ALA 105 HA ALA 105 3.790 16.365 4.037 868 HB1 ALA 105 HB1 ALA 105 3.688 16.356 1.589 869 HB2 ALA 105 HB2 ALA 105 2.120 16.033 2.327 870 HB3 ALA 105 HB3 ALA 105 3.055 14.710 1.630 871 H GLY 106 H GLY 106 3.723 15.195 6.048 872 HA2 GLY 106 HA2 GLY 106 1.549 14.320 7.022 873 HA3 GLY 106 HA3 GLY 106 1.800 12.950 5.951 874 H GLY 107 H GLY 107 2.443 14.293 8.995 875 HA2 GLY 107 HA2 GLY 107 3.696 11.823 9.839 876 HA3 GLY 107 HA3 GLY 107 4.741 13.232 9.939 877 H LYS 108 H LYS 108 3.265 15.195 10.846 878 HA LYS 108 HA LYS 108 2.245 16.154 12.610 879 HB2 LYS 108 HB2 LYS 108 1.137 13.395 13.098 880 HB3 LYS 108 HB3 LYS 108 0.741 14.783 14.097 881 HG2 LYS 108 HG2 LYS 108 0.205 14.562 11.140 882 HG3 LYS 108 HG3 LYS 108 -0.980 14.299 12.417 883 HD2 LYS 108 HD2 LYS 108 -1.398 16.492 11.764 884 HD3 LYS 108 HD3 LYS 108 -0.353 16.698 13.170 885 HE2 LYS 108 HE2 LYS 108 1.574 16.989 11.695 886 HE3 LYS 108 HE3 LYS 108 0.541 16.758 10.287 887 HZ1 LYS 108 HZ1 LYS 108 0.900 19.073 10.600 888 HZ2 LYS 108 HZ2 LYS 108 0.440 19.000 12.231 889 HZ3 LYS 108 HZ3 LYS 108 -0.715 18.751 11.014 890 H LEU 109 H LEU 109 1.977 15.542 15.244 891 HA LEU 109 HA LEU 109 4.761 14.933 15.997 892 HB2 LEU 109 HB2 LEU 109 3.029 17.202 16.974 893 HB3 LEU 109 HB3 LEU 109 4.568 16.757 17.685 894 HG LEU 109 HG LEU 109 4.199 17.698 14.839 895 HD11 LEU 109 HD11 LEU 109 5.251 19.765 15.599 896 HD12 LEU 109 HD12 LEU 109 5.261 19.156 17.254 897 HD13 LEU 109 HD13 LEU 109 3.728 19.473 16.440 898 HD21 LEU 109 HD21 LEU 109 6.638 17.875 14.836 899 HD22 LEU 109 HD22 LEU 109 6.117 16.213 15.120 900 HD23 LEU 109 HD23 LEU 109 6.693 17.199 16.465 901 H GLU 110 H GLU 110 4.734 15.128 18.609 902 HA GLU 110 HA GLU 110 2.704 13.204 19.521 903 HB2 GLU 110 HB2 GLU 110 5.586 13.340 19.827 904 HB3 GLU 110 HB3 GLU 110 4.788 13.280 21.391 905 HG2 GLU 110 HG2 GLU 110 4.131 11.339 19.209 906 HG3 GLU 110 HG3 GLU 110 5.482 11.085 20.310 907 H HIS 111 H HIS 111 2.575 13.370 22.062 908 HA HIS 111 HA HIS 111 2.600 16.201 22.874 909 HB2 HIS 111 HB2 HIS 111 0.262 15.402 22.332 910 HB3 HIS 111 HB3 HIS 111 0.420 14.250 23.654 911 HD1 HIS 111 HD1 HIS 111 -0.025 15.101 25.989 912 HD2 HIS 111 HD2 HIS 111 0.254 18.155 23.178 913 HE1 HIS 111 HE1 HIS 111 -0.726 17.199 27.189 914 HE2 HIS 111 HE2 HIS 111 -0.592 19.032 25.460 915 H HIS 112 H HIS 112 3.028 12.859 23.572 916 HA HIS 112 HA HIS 112 4.895 13.277 25.622 917 HB2 HIS 112 HB2 HIS 112 2.882 13.886 26.962 918 HB3 HIS 112 HB3 HIS 112 2.199 12.301 26.619 919 HD1 HIS 112 HD1 HIS 112 4.654 14.054 28.790 920 HD2 HIS 112 HD2 HIS 112 3.429 10.151 28.009 921 HE1 HIS 112 HE1 HIS 112 5.626 12.651 30.639 922 HE2 HIS 112 HE2 HIS 112 4.760 10.317 30.225 923 H HIS 113 H HIS 113 2.274 11.049 24.812 924 HA HIS 113 HA HIS 113 3.825 9.147 23.499 925 HB2 HIS 113 HB2 HIS 113 4.783 8.733 25.768 926 HB3 HIS 113 HB3 HIS 113 3.166 8.362 26.356 927 HD1 HIS 113 HD1 HIS 113 5.910 6.989 24.172 928 HD2 HIS 113 HD2 HIS 113 2.241 5.803 25.753 929 HE1 HIS 113 HE1 HIS 113 5.758 4.513 23.761 930 HE2 HIS 113 HE2 HIS 113 3.543 3.802 24.731 931 H HIS 114 H HIS 114 2.263 8.575 22.108 932 HA HIS 114 HA HIS 114 -0.478 8.575 22.548 933 HB2 HIS 114 HB2 HIS 114 1.220 6.955 20.660 934 HB3 HIS 114 HB3 HIS 114 -0.527 6.748 20.716 935 HD1 HIS 114 HD1 HIS 114 -1.813 8.220 19.182 936 HD2 HIS 114 HD2 HIS 114 1.944 9.771 20.068 937 HE1 HIS 114 HE1 HIS 114 -1.577 10.291 17.771 938 HE2 HIS 114 HE2 HIS 114 0.805 11.031 18.126 939 H HIS 115 H HIS 115 -1.723 7.461 23.852 940 HA HIS 115 HA HIS 115 -0.600 5.473 25.548 941 HB2 HIS 115 HB2 HIS 115 -2.388 7.182 26.140 942 HB3 HIS 115 HB3 HIS 115 -3.529 6.150 25.287 943 HD1 HIS 115 HD1 HIS 115 -4.889 5.532 27.330 944 HD2 HIS 115 HD2 HIS 115 -0.843 4.648 27.726 945 HE1 HIS 115 HE1 HIS 115 -4.693 4.164 29.434 946 HE2 HIS 115 HE2 HIS 115 -2.219 3.798 29.745 947 H HIS 116 H HIS 116 -2.440 5.393 22.623 948 HA HIS 116 HA HIS 116 -2.140 2.525 22.466 949 HB2 HIS 116 HB2 HIS 116 -4.526 2.065 22.054 950 HB3 HIS 116 HB3 HIS 116 -4.256 2.675 23.681 951 HD1 HIS 116 HD1 HIS 116 -6.351 3.162 20.782 952 HD2 HIS 116 HD2 HIS 116 -4.936 5.545 23.887 953 HE1 HIS 116 HE1 HIS 116 -7.834 5.195 20.813 954 HE2 HIS 116 HE2 HIS 116 -7.120 6.476 22.865 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -5.070 -16.870 14.333 2 H2 MET 1 H2 MET 1 -6.760 -16.775 14.403 3 H3 MET 1 H3 MET 1 -5.897 -15.742 13.369 4 HA MET 1 HA MET 1 -6.127 -18.688 13.137 5 HB2 MET 1 HB2 MET 1 -7.145 -16.456 11.362 6 HB3 MET 1 HB3 MET 1 -7.280 -18.175 11.017 7 HG2 MET 1 HG2 MET 1 -8.700 -18.476 12.963 8 HG3 MET 1 HG3 MET 1 -8.533 -16.768 13.365 9 HE1 MET 1 HE1 MET 1 -10.708 -18.339 9.606 10 HE2 MET 1 HE2 MET 1 -9.992 -19.384 10.834 11 HE3 MET 1 HE3 MET 1 -8.955 -18.400 9.800 12 H ALA 2 H ALA 2 -5.010 -15.734 11.483 13 HA ALA 2 HA ALA 2 -2.618 -17.241 10.632 14 HB1 ALA 2 HB1 ALA 2 -4.103 -15.158 9.028 15 HB2 ALA 2 HB2 ALA 2 -4.083 -16.893 8.712 16 HB3 ALA 2 HB3 ALA 2 -2.602 -15.951 8.551 17 H GLU 3 H GLU 3 -3.960 -14.600 12.221 18 HA GLU 3 HA GLU 3 -1.529 -12.988 12.051 19 HB2 GLU 3 HB2 GLU 3 -3.535 -11.826 13.744 20 HB3 GLU 3 HB3 GLU 3 -2.868 -11.210 12.242 21 HG2 GLU 3 HG2 GLU 3 -5.198 -11.321 11.953 22 HG3 GLU 3 HG3 GLU 3 -4.523 -12.664 11.036 23 H LYS 4 H LYS 4 -0.039 -13.345 13.485 24 HA LYS 4 HA LYS 4 -0.426 -13.159 16.262 25 HB2 LYS 4 HB2 LYS 4 0.309 -15.461 16.909 26 HB3 LYS 4 HB3 LYS 4 -1.295 -15.412 16.191 27 HG2 LYS 4 HG2 LYS 4 -0.540 -16.355 14.178 28 HG3 LYS 4 HG3 LYS 4 1.151 -16.050 14.575 29 HD2 LYS 4 HD2 LYS 4 -0.666 -17.979 16.019 30 HD3 LYS 4 HD3 LYS 4 0.550 -18.417 14.818 31 HE2 LYS 4 HE2 LYS 4 2.269 -17.347 16.286 32 HE3 LYS 4 HE3 LYS 4 1.020 -17.155 17.513 33 HZ1 LYS 4 HZ1 LYS 4 1.961 -19.729 16.370 34 HZ2 LYS 4 HZ2 LYS 4 0.730 -19.567 17.525 35 HZ3 LYS 4 HZ3 LYS 4 2.323 -19.132 17.915 36 H ASN 5 H ASN 5 1.529 -14.516 13.698 37 HA ASN 5 HA ASN 5 3.695 -12.752 14.063 38 HB2 ASN 5 HB2 ASN 5 4.179 -14.211 16.008 39 HB3 ASN 5 HB3 ASN 5 4.161 -15.618 14.948 40 HD21 ASN 5 HD21 ASN 5 6.254 -16.186 15.412 41 HD22 ASN 5 HD22 ASN 5 7.619 -15.279 14.835 42 H ALA 6 H ALA 6 5.152 -12.959 12.294 43 HA ALA 6 HA ALA 6 5.607 -13.325 10.087 44 HB1 ALA 6 HB1 ALA 6 6.367 -15.477 10.978 45 HB2 ALA 6 HB2 ALA 6 5.694 -15.654 9.357 46 HB3 ALA 6 HB3 ALA 6 4.746 -16.140 10.763 47 H TYR 7 H TYR 7 3.073 -12.316 10.726 48 HA TYR 7 HA TYR 7 0.940 -13.658 9.438 49 HB2 TYR 7 HB2 TYR 7 -0.218 -11.418 9.699 50 HB3 TYR 7 HB3 TYR 7 0.378 -12.155 11.182 51 HD1 TYR 7 HD1 TYR 7 0.913 -9.443 8.750 52 HD2 TYR 7 HD2 TYR 7 2.137 -11.133 12.457 53 HE1 TYR 7 HE1 TYR 7 2.167 -7.392 9.263 54 HE2 TYR 7 HE2 TYR 7 3.395 -9.088 12.981 55 HH TYR 7 HH TYR 7 4.442 -7.202 11.746 56 H THR 8 H THR 8 -0.416 -12.164 7.852 57 HA THR 8 HA THR 8 1.196 -12.078 5.438 58 HB THR 8 HB THR 8 -1.041 -11.812 4.320 59 HG1 THR 8 HG1 THR 8 -2.827 -12.418 5.878 60 HG21 THR 8 HG21 THR 8 -1.782 -14.107 4.754 61 HG22 THR 8 HG22 THR 8 -0.768 -14.167 6.195 62 HG23 THR 8 HG23 THR 8 -0.027 -14.023 4.601 63 H VAL 9 H VAL 9 0.713 -10.302 3.842 64 HA VAL 9 HA VAL 9 1.169 -7.756 4.990 65 HB VAL 9 HB VAL 9 1.946 -8.315 2.733 66 HG11 VAL 9 HG11 VAL 9 0.091 -9.699 2.003 67 HG12 VAL 9 HG12 VAL 9 0.392 -8.400 0.848 68 HG13 VAL 9 HG13 VAL 9 -0.967 -8.287 1.966 69 HG21 VAL 9 HG21 VAL 9 1.657 -5.964 3.294 70 HG22 VAL 9 HG22 VAL 9 -0.019 -6.026 2.742 71 HG23 VAL 9 HG23 VAL 9 1.300 -6.248 1.590 72 H ALA 10 H ALA 10 -1.697 -9.523 4.191 73 HA ALA 10 HA ALA 10 -3.570 -7.466 3.975 74 HB1 ALA 10 HB1 ALA 10 -5.241 -9.121 4.554 75 HB2 ALA 10 HB2 ALA 10 -3.992 -10.194 5.182 76 HB3 ALA 10 HB3 ALA 10 -4.048 -9.823 3.459 77 H GLN 11 H GLN 11 -2.558 -9.295 6.852 78 HA GLN 11 HA GLN 11 -4.216 -7.848 8.629 79 HB2 GLN 11 HB2 GLN 11 -3.333 -10.112 9.112 80 HB3 GLN 11 HB3 GLN 11 -1.719 -9.431 9.248 81 HG2 GLN 11 HG2 GLN 11 -2.807 -9.849 11.419 82 HG3 GLN 11 HG3 GLN 11 -2.332 -8.170 11.174 83 HE21 GLN 11 HE21 GLN 11 -3.799 -7.406 12.682 84 HE22 GLN 11 HE22 GLN 11 -5.503 -7.366 12.391 85 H LEU 12 H LEU 12 -0.866 -7.476 7.608 86 HA LEU 12 HA LEU 12 -0.057 -5.523 9.436 87 HB2 LEU 12 HB2 LEU 12 1.480 -6.676 7.921 88 HB3 LEU 12 HB3 LEU 12 0.743 -5.879 6.544 89 HG LEU 12 HG LEU 12 1.526 -3.696 7.424 90 HD11 LEU 12 HD11 LEU 12 3.166 -3.637 9.218 91 HD12 LEU 12 HD12 LEU 12 2.983 -5.375 9.458 92 HD13 LEU 12 HD13 LEU 12 1.631 -4.292 9.788 93 HD21 LEU 12 HD21 LEU 12 3.893 -4.037 6.881 94 HD22 LEU 12 HD22 LEU 12 2.834 -4.886 5.756 95 HD23 LEU 12 HD23 LEU 12 3.669 -5.782 7.025 96 H ALA 13 H ALA 13 -1.567 -5.170 6.247 97 HA ALA 13 HA ALA 13 -1.575 -2.336 6.264 98 HB1 ALA 13 HB1 ALA 13 -3.016 -2.509 4.327 99 HB2 ALA 13 HB2 ALA 13 -3.316 -4.213 4.673 100 HB3 ALA 13 HB3 ALA 13 -1.700 -3.674 4.211 101 H ASP 14 H ASP 14 -4.017 -4.750 7.165 102 HA ASP 14 HA ASP 14 -6.115 -2.851 7.492 103 HB2 ASP 14 HB2 ASP 14 -5.825 -5.678 8.524 104 HB3 ASP 14 HB3 ASP 14 -7.277 -4.706 8.732 105 H GLU 15 H GLU 15 -3.808 -4.351 9.704 106 HA GLU 15 HA GLU 15 -4.918 -3.346 12.087 107 HB2 GLU 15 HB2 GLU 15 -3.209 -5.170 11.930 108 HB3 GLU 15 HB3 GLU 15 -2.004 -3.951 11.547 109 HG2 GLU 15 HG2 GLU 15 -1.939 -4.630 13.897 110 HG3 GLU 15 HG3 GLU 15 -2.303 -2.916 13.706 111 H TYR 16 H TYR 16 -2.330 -2.088 9.987 112 HA TYR 16 HA TYR 16 -1.792 0.243 11.460 113 HB2 TYR 16 HB2 TYR 16 -0.386 -0.666 9.589 114 HB3 TYR 16 HB3 TYR 16 -1.595 -0.077 8.455 115 HD1 TYR 16 HD1 TYR 16 0.859 0.988 11.014 116 HD2 TYR 16 HD2 TYR 16 -1.610 2.188 7.762 117 HE1 TYR 16 HE1 TYR 16 1.983 3.172 10.974 118 HE2 TYR 16 HE2 TYR 16 -0.495 4.380 7.717 119 HH TYR 16 HH TYR 16 0.772 5.837 9.247 120 H PHE 17 H PHE 17 -4.115 -0.445 8.904 121 HA PHE 17 HA PHE 17 -5.223 2.086 8.556 122 HB2 PHE 17 HB2 PHE 17 -5.907 0.501 6.995 123 HB3 PHE 17 HB3 PHE 17 -6.241 -0.714 8.221 124 HD1 PHE 17 HD1 PHE 17 -7.489 2.503 6.837 125 HD2 PHE 17 HD2 PHE 17 -8.401 -1.050 8.995 126 HE1 PHE 17 HE1 PHE 17 -9.884 3.067 6.758 127 HE2 PHE 17 HE2 PHE 17 -10.792 -0.492 8.918 128 HZ PHE 17 HZ PHE 17 -11.537 1.570 7.798 129 H GLU 18 H GLU 18 -6.234 -0.495 10.802 130 HA GLU 18 HA GLU 18 -8.377 0.980 11.890 131 HB2 GLU 18 HB2 GLU 18 -6.847 -1.370 13.001 132 HB3 GLU 18 HB3 GLU 18 -8.320 -0.729 13.714 133 HG2 GLU 18 HG2 GLU 18 -9.483 -1.200 11.568 134 HG3 GLU 18 HG3 GLU 18 -8.011 -1.986 11.000 135 H ARG 19 H ARG 19 -4.990 1.047 12.534 136 HA ARG 19 HA ARG 19 -5.266 2.175 15.171 137 HB2 ARG 19 HB2 ARG 19 -2.866 1.893 13.360 138 HB3 ARG 19 HB3 ARG 19 -2.798 2.513 15.004 139 HG2 ARG 19 HG2 ARG 19 -3.658 -0.247 14.169 140 HG3 ARG 19 HG3 ARG 19 -2.147 0.194 14.968 141 HD2 ARG 19 HD2 ARG 19 -3.372 0.944 16.918 142 HD3 ARG 19 HD3 ARG 19 -4.902 0.596 16.119 143 HE ARG 19 HE ARG 19 -3.722 -1.800 16.034 144 HH11 ARG 19 HH11 ARG 19 -4.137 0.481 18.667 145 HH12 ARG 19 HH12 ARG 19 -4.159 -0.742 19.897 146 HH21 ARG 19 HH21 ARG 19 -3.767 -3.405 17.636 147 HH22 ARG 19 HH22 ARG 19 -3.970 -2.963 19.308 148 H MET 20 H MET 20 -4.295 3.405 11.981 149 HA MET 20 HA MET 20 -4.017 6.089 13.030 150 HB2 MET 20 HB2 MET 20 -3.750 4.977 10.237 151 HB3 MET 20 HB3 MET 20 -3.508 6.672 10.638 152 HG2 MET 20 HG2 MET 20 -1.926 4.352 11.718 153 HG3 MET 20 HG3 MET 20 -1.394 5.492 10.483 154 HE1 MET 20 HE1 MET 20 0.298 4.817 13.094 155 HE2 MET 20 HE2 MET 20 0.838 6.429 13.563 156 HE3 MET 20 HE3 MET 20 0.823 5.966 11.862 157 H ILE 21 H ILE 21 -6.433 4.256 11.337 158 HA ILE 21 HA ILE 21 -8.008 6.688 10.861 159 HB ILE 21 HB ILE 21 -8.648 3.877 9.938 160 HG12 ILE 21 HG12 ILE 21 -6.471 4.587 9.032 161 HG13 ILE 21 HG13 ILE 21 -7.692 4.501 7.766 162 HG21 ILE 21 HG21 ILE 21 -10.549 5.412 9.936 163 HG22 ILE 21 HG22 ILE 21 -10.066 5.004 8.289 164 HG23 ILE 21 HG23 ILE 21 -9.622 6.567 8.976 165 HD11 ILE 21 HD11 ILE 21 -6.745 7.019 9.123 166 HD12 ILE 21 HD12 ILE 21 -7.937 6.922 7.826 167 HD13 ILE 21 HD13 ILE 21 -6.262 6.461 7.522 168 H ALA 22 H ALA 22 -7.558 5.758 13.495 169 HA ALA 22 HA ALA 22 -10.209 4.793 14.312 170 HB1 ALA 22 HB1 ALA 22 -9.212 4.289 16.460 171 HB2 ALA 22 HB2 ALA 22 -7.694 5.037 15.962 172 HB3 ALA 22 HB3 ALA 22 -8.251 3.561 15.172 173 H GLY 23 H GLY 23 -10.759 5.789 16.631 174 HA2 GLY 23 HA2 GLY 23 -11.045 7.672 17.981 175 HA3 GLY 23 HA3 GLY 23 -10.016 8.584 16.884 176 H ARG 24 H ARG 24 -10.920 9.656 15.146 177 HA ARG 24 HA ARG 24 -13.830 9.546 14.835 178 HB2 ARG 24 HB2 ARG 24 -13.255 11.403 16.408 179 HB3 ARG 24 HB3 ARG 24 -12.281 12.131 15.140 180 HG2 ARG 24 HG2 ARG 24 -14.379 13.258 15.208 181 HG3 ARG 24 HG3 ARG 24 -14.336 12.280 13.739 182 HD2 ARG 24 HD2 ARG 24 -15.714 10.593 14.759 183 HD3 ARG 24 HD3 ARG 24 -15.646 11.420 16.314 184 HE ARG 24 HE ARG 24 -16.823 12.832 14.037 185 HH11 ARG 24 HH11 ARG 24 -17.279 11.098 17.046 186 HH12 ARG 24 HH12 ARG 24 -18.865 11.757 17.333 187 HH21 ARG 24 HH21 ARG 24 -18.897 13.709 14.412 188 HH22 ARG 24 HH22 ARG 24 -19.790 13.238 15.830 189 H TRP 25 H TRP 25 -13.736 8.673 12.823 190 HA TRP 25 HA TRP 25 -12.256 10.196 10.791 191 HB2 TRP 25 HB2 TRP 25 -11.732 8.102 9.645 192 HB3 TRP 25 HB3 TRP 25 -11.118 8.062 11.285 193 HD1 TRP 25 HD1 TRP 25 -13.140 6.107 8.900 194 HE1 TRP 25 HE1 TRP 25 -14.246 4.098 10.064 195 HE3 TRP 25 HE3 TRP 25 -12.317 7.415 13.777 196 HZ2 TRP 25 HZ2 TRP 25 -14.724 3.191 12.678 197 HZ3 TRP 25 HZ3 TRP 25 -13.142 5.921 15.546 198 HH2 TRP 25 HH2 TRP 25 -14.322 3.855 15.006 199 H LYS 26 H LYS 26 -14.967 7.985 11.362 200 HA LYS 26 HA LYS 26 -16.900 7.568 10.281 201 HB2 LYS 26 HB2 LYS 26 -17.200 10.053 10.593 202 HB3 LYS 26 HB3 LYS 26 -16.587 10.267 8.959 203 HG2 LYS 26 HG2 LYS 26 -19.014 10.327 8.989 204 HG3 LYS 26 HG3 LYS 26 -18.434 8.925 8.085 205 HD2 LYS 26 HD2 LYS 26 -18.739 7.581 10.187 206 HD3 LYS 26 HD3 LYS 26 -19.553 8.985 10.881 207 HE2 LYS 26 HE2 LYS 26 -21.210 8.909 9.090 208 HE3 LYS 26 HE3 LYS 26 -20.391 7.515 8.384 209 HZ1 LYS 26 HZ1 LYS 26 -22.284 6.829 9.710 210 HZ2 LYS 26 HZ2 LYS 26 -21.653 7.615 11.072 211 HZ3 LYS 26 HZ3 LYS 26 -20.847 6.273 10.420 212 H HIS 27 H HIS 27 -17.653 6.658 8.393 213 HA HIS 27 HA HIS 27 -17.399 5.406 6.528 214 HB2 HIS 27 HB2 HIS 27 -16.913 6.720 4.434 215 HB3 HIS 27 HB3 HIS 27 -18.240 7.309 5.418 216 HD1 HIS 27 HD1 HIS 27 -18.180 9.718 6.053 217 HD2 HIS 27 HD2 HIS 27 -14.503 8.368 4.651 218 HE1 HIS 27 HE1 HIS 27 -16.716 11.759 5.907 219 HE2 HIS 27 HE2 HIS 27 -14.464 10.907 5.159 220 HA PRO 28 HA PRO 28 -12.829 4.726 7.055 221 HB2 PRO 28 HB2 PRO 28 -13.095 2.060 7.611 222 HB3 PRO 28 HB3 PRO 28 -13.119 3.319 8.849 223 HG2 PRO 28 HG2 PRO 28 -15.401 1.883 7.560 224 HG3 PRO 28 HG3 PRO 28 -15.175 2.326 9.263 225 HD2 PRO 28 HD2 PRO 28 -16.771 3.736 7.603 226 HD3 PRO 28 HD3 PRO 28 -15.856 4.504 8.916 227 H ASN 29 H ASN 29 -15.434 3.204 5.328 228 HA ASN 29 HA ASN 29 -14.020 1.433 3.696 229 HB2 ASN 29 HB2 ASN 29 -15.974 1.400 2.258 230 HB3 ASN 29 HB3 ASN 29 -16.486 1.421 3.940 231 HD21 ASN 29 HD21 ASN 29 -17.601 3.180 4.734 232 HD22 ASN 29 HD22 ASN 29 -18.202 4.444 3.710 233 H ILE 30 H ILE 30 -14.372 4.875 3.509 234 HA ILE 30 HA ILE 30 -13.795 5.217 0.773 235 HB ILE 30 HB ILE 30 -13.362 7.080 3.111 236 HG12 ILE 30 HG12 ILE 30 -15.699 6.487 2.730 237 HG13 ILE 30 HG13 ILE 30 -15.410 8.167 2.294 238 HG21 ILE 30 HG21 ILE 30 -11.892 7.728 1.295 239 HG22 ILE 30 HG22 ILE 30 -13.216 8.884 1.451 240 HG23 ILE 30 HG23 ILE 30 -13.240 7.683 0.160 241 HD11 ILE 30 HD11 ILE 30 -15.332 7.532 -0.069 242 HD12 ILE 30 HD12 ILE 30 -16.865 7.096 0.685 243 HD13 ILE 30 HD13 ILE 30 -15.648 5.856 0.381 244 H VAL 31 H VAL 31 -11.677 5.332 3.639 245 HA VAL 31 HA VAL 31 -9.326 5.565 1.991 246 HB VAL 31 HB VAL 31 -9.342 6.684 4.145 247 HG11 VAL 31 HG11 VAL 31 -9.582 3.939 5.349 248 HG12 VAL 31 HG12 VAL 31 -10.784 5.228 5.399 249 HG13 VAL 31 HG13 VAL 31 -9.251 5.419 6.248 250 HG21 VAL 31 HG21 VAL 31 -7.203 5.871 5.045 251 HG22 VAL 31 HG22 VAL 31 -7.188 6.008 3.287 252 HG23 VAL 31 HG23 VAL 31 -7.350 4.424 4.047 253 H ARG 32 H ARG 32 -11.025 2.998 3.691 254 HA ARG 32 HA ARG 32 -8.918 1.083 3.534 255 HB2 ARG 32 HB2 ARG 32 -11.112 1.184 5.020 256 HB3 ARG 32 HB3 ARG 32 -11.777 0.236 3.700 257 HG2 ARG 32 HG2 ARG 32 -9.239 -0.569 5.079 258 HG3 ARG 32 HG3 ARG 32 -10.820 -1.003 5.725 259 HD2 ARG 32 HD2 ARG 32 -11.360 -2.170 3.661 260 HD3 ARG 32 HD3 ARG 32 -9.809 -1.695 2.966 261 HE ARG 32 HE ARG 32 -8.911 -3.005 5.034 262 HH11 ARG 32 HH11 ARG 32 -11.685 -3.854 3.058 263 HH12 ARG 32 HH12 ARG 32 -11.530 -5.563 3.374 264 HH21 ARG 32 HH21 ARG 32 -8.698 -5.240 5.423 265 HH22 ARG 32 HH22 ARG 32 -9.846 -6.341 4.715 266 H SER 33 H SER 33 -11.371 2.150 1.338 267 HA SER 33 HA SER 33 -11.721 -0.064 -0.288 268 HB2 SER 33 HB2 SER 33 -12.964 2.116 -0.457 269 HB3 SER 33 HB3 SER 33 -11.553 2.798 -1.263 270 HG SER 33 HG SER 33 -13.105 0.583 -2.150 271 H ARG 34 H ARG 34 -9.215 2.467 -0.535 272 HA ARG 34 HA ARG 34 -8.012 1.382 -2.861 273 HB2 ARG 34 HB2 ARG 34 -6.297 2.975 -2.580 274 HB3 ARG 34 HB3 ARG 34 -7.731 3.750 -1.924 275 HG2 ARG 34 HG2 ARG 34 -7.018 3.282 0.326 276 HG3 ARG 34 HG3 ARG 34 -5.644 2.349 -0.267 277 HD2 ARG 34 HD2 ARG 34 -4.766 4.445 0.327 278 HD3 ARG 34 HD3 ARG 34 -4.896 4.472 -1.431 279 HE ARG 34 HE ARG 34 -7.247 5.542 -0.327 280 HH11 ARG 34 HH11 ARG 34 -3.862 6.323 -0.763 281 HH12 ARG 34 HH12 ARG 34 -4.113 8.043 -0.655 282 HH21 ARG 34 HH21 ARG 34 -7.578 7.778 -0.167 283 HH22 ARG 34 HH22 ARG 34 -6.227 8.862 -0.302 284 H ILE 35 H ILE 35 -7.791 0.637 0.491 285 HA ILE 35 HA ILE 35 -5.194 -0.529 0.466 286 HB ILE 35 HB ILE 35 -7.450 -0.921 2.445 287 HG12 ILE 35 HG12 ILE 35 -5.102 0.991 2.479 288 HG13 ILE 35 HG13 ILE 35 -6.781 1.438 2.196 289 HG21 ILE 35 HG21 ILE 35 -5.669 -1.589 4.005 290 HG22 ILE 35 HG22 ILE 35 -4.496 -1.484 2.691 291 HG23 ILE 35 HG23 ILE 35 -5.791 -2.679 2.624 292 HD11 ILE 35 HD11 ILE 35 -7.354 0.731 4.452 293 HD12 ILE 35 HD12 ILE 35 -6.085 1.956 4.465 294 HD13 ILE 35 HD13 ILE 35 -5.679 0.260 4.737 295 H GLU 36 H GLU 36 -8.495 -1.825 0.276 296 HA GLU 36 HA GLU 36 -7.444 -4.523 0.001 297 HB2 GLU 36 HB2 GLU 36 -9.780 -5.230 0.031 298 HB3 GLU 36 HB3 GLU 36 -9.412 -4.183 1.394 299 HG2 GLU 36 HG2 GLU 36 -10.443 -2.302 0.213 300 HG3 GLU 36 HG3 GLU 36 -10.835 -3.374 -1.130 301 H LYS 37 H LYS 37 -7.964 -1.991 -2.077 302 HA LYS 37 HA LYS 37 -8.751 -3.756 -4.275 303 HB2 LYS 37 HB2 LYS 37 -10.119 -1.703 -3.807 304 HB3 LYS 37 HB3 LYS 37 -8.722 -0.737 -4.249 305 HG2 LYS 37 HG2 LYS 37 -9.823 -2.752 -6.160 306 HG3 LYS 37 HG3 LYS 37 -10.581 -1.170 -5.983 307 HD2 LYS 37 HD2 LYS 37 -9.027 -0.241 -7.263 308 HD3 LYS 37 HD3 LYS 37 -7.751 -0.844 -6.210 309 HE2 LYS 37 HE2 LYS 37 -7.796 -2.988 -7.404 310 HE3 LYS 37 HE3 LYS 37 -9.047 -2.356 -8.469 311 HZ1 LYS 37 HZ1 LYS 37 -7.555 -0.806 -9.386 312 HZ2 LYS 37 HZ2 LYS 37 -6.713 -2.274 -9.346 313 HZ3 LYS 37 HZ3 LYS 37 -6.389 -1.073 -8.188 314 H ASP 38 H ASP 38 -6.503 -1.033 -3.676 315 HA ASP 38 HA ASP 38 -4.892 -1.978 -5.927 316 HB2 ASP 38 HB2 ASP 38 -4.905 0.634 -4.417 317 HB3 ASP 38 HB3 ASP 38 -3.687 0.229 -5.624 318 H ILE 39 H ILE 39 -4.520 -1.105 -2.504 319 HA ILE 39 HA ILE 39 -1.758 -1.671 -2.356 320 HB ILE 39 HB ILE 39 -3.833 -1.762 -0.158 321 HG12 ILE 39 HG12 ILE 39 -1.913 0.417 -1.024 322 HG13 ILE 39 HG13 ILE 39 -3.655 0.422 -1.267 323 HG21 ILE 39 HG21 ILE 39 -0.824 -1.669 0.016 324 HG22 ILE 39 HG22 ILE 39 -1.858 -3.022 0.474 325 HG23 ILE 39 HG23 ILE 39 -1.931 -1.509 1.380 326 HD11 ILE 39 HD11 ILE 39 -4.008 0.516 1.132 327 HD12 ILE 39 HD12 ILE 39 -2.981 1.846 0.594 328 HD13 ILE 39 HD13 ILE 39 -2.266 0.451 1.401 329 H LYS 40 H LYS 40 -4.583 -3.640 -1.485 330 HA LYS 40 HA LYS 40 -2.927 -6.046 -1.894 331 HB2 LYS 40 HB2 LYS 40 -5.237 -5.732 0.039 332 HB3 LYS 40 HB3 LYS 40 -4.294 -7.193 -0.215 333 HG2 LYS 40 HG2 LYS 40 -2.334 -6.149 0.706 334 HG3 LYS 40 HG3 LYS 40 -3.175 -4.603 0.832 335 HD2 LYS 40 HD2 LYS 40 -4.005 -7.123 2.267 336 HD3 LYS 40 HD3 LYS 40 -3.024 -5.846 2.985 337 HE2 LYS 40 HE2 LYS 40 -4.836 -4.250 2.663 338 HE3 LYS 40 HE3 LYS 40 -5.811 -5.496 1.884 339 HZ1 LYS 40 HZ1 LYS 40 -4.821 -5.752 4.668 340 HZ2 LYS 40 HZ2 LYS 40 -6.025 -6.669 3.904 341 HZ3 LYS 40 HZ3 LYS 40 -6.312 -5.046 4.297 342 HA PRO 41 HA PRO 41 -6.472 -5.979 -4.867 343 HB2 PRO 41 HB2 PRO 41 -4.574 -7.167 -6.744 344 HB3 PRO 41 HB3 PRO 41 -5.506 -5.676 -6.893 345 HG2 PRO 41 HG2 PRO 41 -2.824 -5.690 -6.551 346 HG3 PRO 41 HG3 PRO 41 -3.863 -4.395 -5.929 347 HD2 PRO 41 HD2 PRO 41 -2.645 -6.714 -4.476 348 HD3 PRO 41 HD3 PRO 41 -2.828 -5.025 -3.953 349 H ALA 42 H ALA 42 -3.991 -8.540 -5.110 350 HA ALA 42 HA ALA 42 -6.005 -10.483 -4.250 351 HB1 ALA 42 HB1 ALA 42 -5.383 -12.034 -6.036 352 HB2 ALA 42 HB2 ALA 42 -4.300 -10.820 -6.717 353 HB3 ALA 42 HB3 ALA 42 -6.042 -10.536 -6.693 354 H ILE 43 H ILE 43 -3.378 -9.131 -3.400 355 HA ILE 43 HA ILE 43 -1.788 -11.548 -2.872 356 HB ILE 43 HB ILE 43 0.041 -9.901 -2.313 357 HG12 ILE 43 HG12 ILE 43 -1.728 -7.929 -3.768 358 HG13 ILE 43 HG13 ILE 43 -1.567 -7.968 -2.017 359 HG21 ILE 43 HG21 ILE 43 0.597 -9.469 -4.669 360 HG22 ILE 43 HG22 ILE 43 -1.053 -9.890 -5.125 361 HG23 ILE 43 HG23 ILE 43 0.005 -11.112 -4.418 362 HD11 ILE 43 HD11 ILE 43 0.659 -7.487 -3.985 363 HD12 ILE 43 HD12 ILE 43 0.815 -7.497 -2.227 364 HD13 ILE 43 HD13 ILE 43 -0.158 -6.258 -3.019 365 H GLY 44 H GLY 44 -4.195 -10.628 -1.358 366 HA2 GLY 44 HA2 GLY 44 -3.425 -9.429 1.072 367 HA3 GLY 44 HA3 GLY 44 -4.857 -10.417 0.836 368 H SER 45 H SER 45 -3.652 -12.846 0.152 369 HA SER 45 HA SER 45 -2.827 -13.730 2.771 370 HB2 SER 45 HB2 SER 45 -2.859 -16.001 1.618 371 HB3 SER 45 HB3 SER 45 -4.394 -15.134 1.655 372 HG SER 45 HG SER 45 -2.770 -15.792 -0.486 373 H LEU 46 H LEU 46 -1.127 -12.185 0.609 374 HA LEU 46 HA LEU 46 1.096 -13.985 0.202 375 HB2 LEU 46 HB2 LEU 46 0.326 -12.193 -1.422 376 HB3 LEU 46 HB3 LEU 46 0.986 -11.013 -0.309 377 HG LEU 46 HG LEU 46 3.219 -12.160 -0.583 378 HD11 LEU 46 HD11 LEU 46 3.528 -13.539 -2.572 379 HD12 LEU 46 HD12 LEU 46 1.793 -13.484 -2.886 380 HD13 LEU 46 HD13 LEU 46 2.404 -14.291 -1.441 381 HD21 LEU 46 HD21 LEU 46 2.690 -10.055 -1.681 382 HD22 LEU 46 HD22 LEU 46 1.940 -10.926 -3.019 383 HD23 LEU 46 HD23 LEU 46 3.674 -11.076 -2.730 384 H LYS 47 H LYS 47 3.021 -13.970 1.281 385 HA LYS 47 HA LYS 47 3.180 -12.955 3.897 386 HB2 LYS 47 HB2 LYS 47 4.462 -14.898 2.851 387 HB3 LYS 47 HB3 LYS 47 5.519 -13.693 2.135 388 HG2 LYS 47 HG2 LYS 47 6.557 -14.521 4.109 389 HG3 LYS 47 HG3 LYS 47 6.026 -12.867 4.423 390 HD2 LYS 47 HD2 LYS 47 5.524 -14.339 6.307 391 HD3 LYS 47 HD3 LYS 47 4.050 -13.711 5.578 392 HE2 LYS 47 HE2 LYS 47 3.682 -15.796 4.424 393 HE3 LYS 47 HE3 LYS 47 5.232 -16.424 4.983 394 HZ1 LYS 47 HZ1 LYS 47 3.151 -15.593 6.904 395 HZ2 LYS 47 HZ2 LYS 47 4.453 -16.650 7.140 396 HZ3 LYS 47 HZ3 LYS 47 3.123 -17.135 6.207 397 H VAL 48 H VAL 48 4.318 -11.204 4.736 398 HA VAL 48 HA VAL 48 4.321 -8.828 3.257 399 HB VAL 48 HB VAL 48 5.967 -9.356 5.739 400 HG11 VAL 48 HG11 VAL 48 6.461 -7.244 4.611 401 HG12 VAL 48 HG12 VAL 48 5.671 -6.975 6.164 402 HG13 VAL 48 HG13 VAL 48 4.753 -6.811 4.669 403 HG21 VAL 48 HG21 VAL 48 3.665 -10.080 6.101 404 HG22 VAL 48 HG22 VAL 48 3.077 -8.517 5.536 405 HG23 VAL 48 HG23 VAL 48 4.020 -8.619 7.022 406 H GLU 49 H GLU 49 6.692 -11.323 3.545 407 HA GLU 49 HA GLU 49 8.937 -9.745 2.723 408 HB2 GLU 49 HB2 GLU 49 8.547 -12.737 2.797 409 HB3 GLU 49 HB3 GLU 49 10.075 -11.930 2.476 410 HG2 GLU 49 HG2 GLU 49 9.962 -10.897 4.708 411 HG3 GLU 49 HG3 GLU 49 8.485 -11.808 5.025 412 H ASP 50 H ASP 50 6.312 -11.131 1.049 413 HA ASP 50 HA ASP 50 7.882 -11.592 -1.374 414 HB2 ASP 50 HB2 ASP 50 5.098 -12.362 -0.557 415 HB3 ASP 50 HB3 ASP 50 5.583 -12.404 -2.248 416 H VAL 51 H VAL 51 6.234 -9.034 -0.017 417 HA VAL 51 HA VAL 51 5.079 -8.082 -2.485 418 HB VAL 51 HB VAL 51 3.916 -7.544 -0.424 419 HG11 VAL 51 HG11 VAL 51 5.752 -7.397 1.132 420 HG12 VAL 51 HG12 VAL 51 4.804 -5.910 1.177 421 HG13 VAL 51 HG13 VAL 51 6.351 -5.945 0.331 422 HG21 VAL 51 HG21 VAL 51 3.586 -5.136 -0.779 423 HG22 VAL 51 HG22 VAL 51 3.637 -6.034 -2.295 424 HG23 VAL 51 HG23 VAL 51 5.039 -5.097 -1.780 425 H LYS 52 H LYS 52 7.097 -8.305 -3.615 426 HA LYS 52 HA LYS 52 9.231 -6.471 -3.172 427 HB2 LYS 52 HB2 LYS 52 10.055 -7.246 -5.349 428 HB3 LYS 52 HB3 LYS 52 9.584 -8.593 -4.325 429 HG2 LYS 52 HG2 LYS 52 7.462 -8.760 -5.549 430 HG3 LYS 52 HG3 LYS 52 7.989 -7.446 -6.605 431 HD2 LYS 52 HD2 LYS 52 8.389 -9.575 -7.677 432 HD3 LYS 52 HD3 LYS 52 9.926 -8.805 -7.286 433 HE2 LYS 52 HE2 LYS 52 10.175 -10.224 -5.336 434 HE3 LYS 52 HE3 LYS 52 8.590 -10.941 -5.628 435 HZ1 LYS 52 HZ1 LYS 52 9.500 -11.688 -7.824 436 HZ2 LYS 52 HZ2 LYS 52 10.177 -12.442 -6.467 437 HZ3 LYS 52 HZ3 LYS 52 11.040 -11.227 -7.278 438 HA PRO 53 HA PRO 53 8.097 -2.630 -4.949 439 HB2 PRO 53 HB2 PRO 53 10.218 -3.084 -7.007 440 HB3 PRO 53 HB3 PRO 53 9.915 -1.666 -5.996 441 HG2 PRO 53 HG2 PRO 53 11.879 -3.346 -5.393 442 HG3 PRO 53 HG3 PRO 53 10.872 -2.637 -4.116 443 HD2 PRO 53 HD2 PRO 53 10.860 -5.399 -5.230 444 HD3 PRO 53 HD3 PRO 53 10.514 -4.844 -3.581 445 H ARG 54 H ARG 54 8.635 -5.204 -7.340 446 HA ARG 54 HA ARG 54 7.345 -4.048 -9.514 447 HB2 ARG 54 HB2 ARG 54 7.888 -6.857 -8.686 448 HB3 ARG 54 HB3 ARG 54 6.793 -6.577 -10.035 449 HG2 ARG 54 HG2 ARG 54 9.638 -5.609 -9.825 450 HG3 ARG 54 HG3 ARG 54 9.053 -6.941 -10.829 451 HD2 ARG 54 HD2 ARG 54 7.623 -5.381 -12.056 452 HD3 ARG 54 HD3 ARG 54 8.206 -4.056 -11.053 453 HE ARG 54 HE ARG 54 10.362 -5.406 -12.331 454 HH11 ARG 54 HH11 ARG 54 7.774 -3.105 -12.898 455 HH12 ARG 54 HH12 ARG 54 8.589 -2.299 -14.198 456 HH21 ARG 54 HH21 ARG 54 11.448 -4.349 -14.045 457 HH22 ARG 54 HH22 ARG 54 10.682 -3.018 -14.862 458 H HIS 55 H HIS 55 5.942 -5.808 -6.788 459 HA HIS 55 HA HIS 55 3.331 -6.027 -7.853 460 HB2 HIS 55 HB2 HIS 55 4.241 -5.882 -4.971 461 HB3 HIS 55 HB3 HIS 55 2.597 -6.258 -5.471 462 HD1 HIS 55 HD1 HIS 55 2.645 -8.419 -7.337 463 HD2 HIS 55 HD2 HIS 55 5.627 -8.126 -4.450 464 HE1 HIS 55 HE1 HIS 55 3.612 -10.729 -7.114 465 HE2 HIS 55 HE2 HIS 55 5.516 -10.500 -5.484 466 H ILE 56 H ILE 56 4.982 -3.501 -6.080 467 HA ILE 56 HA ILE 56 2.673 -1.827 -5.776 468 HB ILE 56 HB ILE 56 5.606 -1.090 -5.599 469 HG12 ILE 56 HG12 ILE 56 5.060 -2.877 -4.024 470 HG13 ILE 56 HG13 ILE 56 5.334 -1.366 -3.163 471 HG21 ILE 56 HG21 ILE 56 3.167 0.314 -4.524 472 HG22 ILE 56 HG22 ILE 56 4.171 0.853 -5.869 473 HG23 ILE 56 HG23 ILE 56 4.840 0.792 -4.238 474 HD11 ILE 56 HD11 ILE 56 2.939 -1.053 -2.923 475 HD12 ILE 56 HD12 ILE 56 3.443 -2.607 -2.257 476 HD13 ILE 56 HD13 ILE 56 2.642 -2.537 -3.827 477 H ASP 57 H ASP 57 5.285 -2.177 -8.078 478 HA ASP 57 HA ASP 57 4.903 0.195 -9.543 479 HB2 ASP 57 HB2 ASP 57 6.908 -1.275 -9.704 480 HB3 ASP 57 HB3 ASP 57 5.929 -2.481 -10.530 481 H ASP 58 H ASP 58 3.529 -3.035 -9.834 482 HA ASP 58 HA ASP 58 2.037 -2.574 -12.195 483 HB2 ASP 58 HB2 ASP 58 2.007 -4.651 -10.051 484 HB3 ASP 58 HB3 ASP 58 0.606 -4.541 -11.111 485 H VAL 59 H VAL 59 1.274 -2.049 -8.789 486 HA VAL 59 HA VAL 59 -1.495 -1.533 -9.427 487 HB VAL 59 HB VAL 59 -1.829 -1.043 -7.062 488 HG11 VAL 59 HG11 VAL 59 -0.169 -3.517 -7.519 489 HG12 VAL 59 HG12 VAL 59 -1.900 -3.356 -7.817 490 HG13 VAL 59 HG13 VAL 59 -1.275 -3.248 -6.172 491 HG21 VAL 59 HG21 VAL 59 -0.014 -1.264 -5.443 492 HG22 VAL 59 HG22 VAL 59 0.287 0.064 -6.565 493 HG23 VAL 59 HG23 VAL 59 1.142 -1.467 -6.760 494 H LEU 60 H LEU 60 1.393 0.370 -8.746 495 HA LEU 60 HA LEU 60 0.105 2.859 -8.462 496 HB2 LEU 60 HB2 LEU 60 2.882 2.150 -9.386 497 HB3 LEU 60 HB3 LEU 60 2.340 3.805 -9.190 498 HG LEU 60 HG LEU 60 2.555 1.729 -7.010 499 HD11 LEU 60 HD11 LEU 60 4.306 3.187 -6.136 500 HD12 LEU 60 HD12 LEU 60 4.119 4.252 -7.529 501 HD13 LEU 60 HD13 LEU 60 4.704 2.603 -7.751 502 HD21 LEU 60 HD21 LEU 60 1.674 4.611 -6.865 503 HD22 LEU 60 HD22 LEU 60 1.944 3.543 -5.486 504 HD23 LEU 60 HD23 LEU 60 0.647 3.197 -6.629 505 H LYS 61 H LYS 61 1.401 1.199 -11.321 506 HA LYS 61 HA LYS 61 0.818 3.300 -13.125 507 HB2 LYS 61 HB2 LYS 61 1.159 1.647 -14.893 508 HB3 LYS 61 HB3 LYS 61 2.407 1.511 -13.670 509 HG2 LYS 61 HG2 LYS 61 1.222 -0.417 -12.713 510 HG3 LYS 61 HG3 LYS 61 0.019 -0.287 -14.000 511 HD2 LYS 61 HD2 LYS 61 1.800 -0.625 -15.666 512 HD3 LYS 61 HD3 LYS 61 2.971 -0.808 -14.357 513 HE2 LYS 61 HE2 LYS 61 1.618 -2.717 -13.506 514 HE3 LYS 61 HE3 LYS 61 0.600 -2.579 -14.937 515 HZ1 LYS 61 HZ1 LYS 61 2.362 -4.288 -15.106 516 HZ2 LYS 61 HZ2 LYS 61 3.528 -3.058 -15.026 517 HZ3 LYS 61 HZ3 LYS 61 2.441 -3.113 -16.327 518 H ALA 62 H ALA 62 -1.096 0.690 -11.814 519 HA ALA 62 HA ALA 62 -3.222 0.935 -13.725 520 HB1 ALA 62 HB1 ALA 62 -4.411 -0.646 -12.332 521 HB2 ALA 62 HB2 ALA 62 -3.241 -0.423 -11.032 522 HB3 ALA 62 HB3 ALA 62 -2.743 -1.177 -12.546 523 H VAL 63 H VAL 63 -2.590 2.220 -10.487 524 HA VAL 63 HA VAL 63 -5.245 3.300 -10.258 525 HB VAL 63 HB VAL 63 -3.985 2.621 -8.251 526 HG11 VAL 63 HG11 VAL 63 -1.752 3.296 -8.904 527 HG12 VAL 63 HG12 VAL 63 -2.199 4.042 -7.369 528 HG13 VAL 63 HG13 VAL 63 -2.231 4.993 -8.853 529 HG21 VAL 63 HG21 VAL 63 -4.682 5.554 -8.299 530 HG22 VAL 63 HG22 VAL 63 -4.540 4.545 -6.860 531 HG23 VAL 63 HG23 VAL 63 -5.809 4.221 -8.041 532 H MET 64 H MET 64 -2.155 4.457 -11.426 533 HA MET 64 HA MET 64 -2.923 7.220 -11.341 534 HB2 MET 64 HB2 MET 64 -0.855 7.690 -12.504 535 HB3 MET 64 HB3 MET 64 -0.553 6.538 -11.215 536 HG2 MET 64 HG2 MET 64 -0.449 4.727 -12.804 537 HG3 MET 64 HG3 MET 64 -0.875 5.820 -14.118 538 HE1 MET 64 HE1 MET 64 1.844 4.927 -11.411 539 HE2 MET 64 HE2 MET 64 1.544 6.641 -11.113 540 HE3 MET 64 HE3 MET 64 3.095 6.121 -11.767 541 H LYS 65 H LYS 65 -3.316 4.641 -13.645 542 HA LYS 65 HA LYS 65 -3.585 6.362 -15.908 543 HB2 LYS 65 HB2 LYS 65 -4.336 4.373 -17.119 544 HB3 LYS 65 HB3 LYS 65 -2.866 4.070 -16.214 545 HG2 LYS 65 HG2 LYS 65 -4.072 2.854 -14.543 546 HG3 LYS 65 HG3 LYS 65 -5.613 3.285 -15.286 547 HD2 LYS 65 HD2 LYS 65 -3.452 1.614 -16.567 548 HD3 LYS 65 HD3 LYS 65 -4.936 0.994 -15.845 549 HE2 LYS 65 HE2 LYS 65 -6.247 2.295 -17.472 550 HE3 LYS 65 HE3 LYS 65 -4.747 2.855 -18.212 551 HZ1 LYS 65 HZ1 LYS 65 -5.563 1.040 -19.481 552 HZ2 LYS 65 HZ2 LYS 65 -5.766 0.069 -18.107 553 HZ3 LYS 65 HZ3 LYS 65 -4.204 0.480 -18.632 554 H ARG 66 H ARG 66 -5.955 4.572 -13.941 555 HA ARG 66 HA ARG 66 -8.104 5.949 -15.360 556 HB2 ARG 66 HB2 ARG 66 -9.575 4.381 -13.958 557 HB3 ARG 66 HB3 ARG 66 -8.592 3.678 -15.231 558 HG2 ARG 66 HG2 ARG 66 -8.383 2.218 -13.424 559 HG3 ARG 66 HG3 ARG 66 -6.892 3.155 -13.420 560 HD2 ARG 66 HD2 ARG 66 -7.866 4.617 -11.677 561 HD3 ARG 66 HD3 ARG 66 -9.292 3.580 -11.643 562 HE ARG 66 HE ARG 66 -6.905 2.082 -11.239 563 HH11 ARG 66 HH11 ARG 66 -9.215 4.167 -9.610 564 HH12 ARG 66 HH12 ARG 66 -8.810 3.564 -8.025 565 HH21 ARG 66 HH21 ARG 66 -6.390 1.307 -9.160 566 HH22 ARG 66 HH22 ARG 66 -7.208 1.949 -7.770 567 H GLY 67 H GLY 67 -6.355 6.294 -12.490 568 HA2 GLY 67 HA2 GLY 67 -8.548 7.816 -11.246 569 HA3 GLY 67 HA3 GLY 67 -7.122 7.220 -10.406 570 H ALA 68 H ALA 68 -5.395 8.491 -10.222 571 HA ALA 68 HA ALA 68 -4.872 10.677 -11.995 572 HB1 ALA 68 HB1 ALA 68 -5.065 12.466 -10.336 573 HB2 ALA 68 HB2 ALA 68 -5.721 11.320 -9.168 574 HB3 ALA 68 HB3 ALA 68 -6.627 11.702 -10.633 575 HA PRO 69 HA PRO 69 -0.738 9.791 -10.725 576 HB2 PRO 69 HB2 PRO 69 0.254 12.398 -10.780 577 HB3 PRO 69 HB3 PRO 69 0.187 11.294 -12.155 578 HG2 PRO 69 HG2 PRO 69 -1.673 13.497 -11.393 579 HG3 PRO 69 HG3 PRO 69 -1.140 12.982 -13.005 580 HD2 PRO 69 HD2 PRO 69 -3.574 12.362 -12.077 581 HD3 PRO 69 HD3 PRO 69 -2.649 11.214 -13.071 582 H SER 70 H SER 70 -2.150 12.724 -9.282 583 HA SER 70 HA SER 70 -0.525 12.843 -7.021 584 HB2 SER 70 HB2 SER 70 -3.411 13.731 -7.210 585 HB3 SER 70 HB3 SER 70 -2.169 14.365 -6.127 586 HG SER 70 HG SER 70 -1.578 15.649 -7.667 587 H ILE 71 H ILE 71 -3.448 10.991 -7.653 588 HA ILE 71 HA ILE 71 -3.865 10.186 -4.941 589 HB ILE 71 HB ILE 71 -4.902 8.947 -7.501 590 HG12 ILE 71 HG12 ILE 71 -6.193 10.903 -5.582 591 HG13 ILE 71 HG13 ILE 71 -5.594 11.289 -7.193 592 HG21 ILE 71 HG21 ILE 71 -4.975 7.372 -5.638 593 HG22 ILE 71 HG22 ILE 71 -6.598 7.888 -6.093 594 HG23 ILE 71 HG23 ILE 71 -5.829 8.560 -4.654 595 HD11 ILE 71 HD11 ILE 71 -7.855 9.407 -6.554 596 HD12 ILE 71 HD12 ILE 71 -7.256 9.791 -8.167 597 HD13 ILE 71 HD13 ILE 71 -8.008 11.047 -7.184 598 H ALA 72 H ALA 72 -2.210 8.831 -7.735 599 HA ALA 72 HA ALA 72 -1.562 6.318 -6.645 600 HB1 ALA 72 HB1 ALA 72 -1.319 6.844 -9.027 601 HB2 ALA 72 HB2 ALA 72 0.190 6.235 -8.345 602 HB3 ALA 72 HB3 ALA 72 -0.008 7.961 -8.645 603 H ASN 73 H ASN 73 0.259 9.354 -6.751 604 HA ASN 73 HA ASN 73 2.466 8.559 -5.220 605 HB2 ASN 73 HB2 ASN 73 1.211 11.311 -5.395 606 HB3 ASN 73 HB3 ASN 73 2.844 10.957 -4.844 607 HD21 ASN 73 HD21 ASN 73 1.844 12.594 -7.069 608 HD22 ASN 73 HD22 ASN 73 2.609 11.971 -8.485 609 H ASP 74 H ASP 74 -0.581 10.066 -4.292 610 HA ASP 74 HA ASP 74 -0.182 10.360 -1.556 611 HB2 ASP 74 HB2 ASP 74 -2.125 11.273 -2.751 612 HB3 ASP 74 HB3 ASP 74 -2.744 9.644 -3.000 613 H THR 75 H THR 75 -1.338 7.544 -3.356 614 HA THR 75 HA THR 75 -1.783 5.917 -1.073 615 HB THR 75 HB THR 75 -1.275 5.077 -3.936 616 HG1 THR 75 HG1 THR 75 -3.093 6.347 -3.920 617 HG21 THR 75 HG21 THR 75 -2.504 3.036 -3.310 618 HG22 THR 75 HG22 THR 75 -2.584 3.604 -1.642 619 HG23 THR 75 HG23 THR 75 -1.023 3.217 -2.368 620 H LEU 76 H LEU 76 0.953 6.315 -3.294 621 HA LEU 76 HA LEU 76 2.600 4.285 -2.271 622 HB2 LEU 76 HB2 LEU 76 2.942 5.599 -4.390 623 HB3 LEU 76 HB3 LEU 76 3.482 6.945 -3.411 624 HG LEU 76 HG LEU 76 5.279 5.548 -4.516 625 HD11 LEU 76 HD11 LEU 76 6.783 5.615 -2.593 626 HD12 LEU 76 HD12 LEU 76 5.400 5.843 -1.523 627 HD13 LEU 76 HD13 LEU 76 5.809 7.080 -2.712 628 HD21 LEU 76 HD21 LEU 76 4.322 3.352 -4.120 629 HD22 LEU 76 HD22 LEU 76 4.492 3.578 -2.378 630 HD23 LEU 76 HD23 LEU 76 5.926 3.472 -3.398 631 H ARG 77 H ARG 77 2.235 7.682 -1.372 632 HA ARG 77 HA ARG 77 4.128 7.878 0.628 633 HB2 ARG 77 HB2 ARG 77 2.999 9.789 -0.224 634 HB3 ARG 77 HB3 ARG 77 1.430 9.142 0.222 635 HG2 ARG 77 HG2 ARG 77 1.828 9.529 2.516 636 HG3 ARG 77 HG3 ARG 77 3.535 9.882 2.224 637 HD2 ARG 77 HD2 ARG 77 2.128 11.888 2.558 638 HD3 ARG 77 HD3 ARG 77 3.000 11.871 1.038 639 HE ARG 77 HE ARG 77 0.154 11.120 1.207 640 HH11 ARG 77 HH11 ARG 77 2.749 12.971 -0.242 641 HH12 ARG 77 HH12 ARG 77 1.743 13.680 -1.457 642 HH21 ARG 77 HH21 ARG 77 -1.195 12.078 -0.378 643 HH22 ARG 77 HH22 ARG 77 -0.500 13.196 -1.519 644 H TRP 78 H TRP 78 0.749 6.807 0.839 645 HA TRP 78 HA TRP 78 0.761 6.210 3.598 646 HB2 TRP 78 HB2 TRP 78 -1.298 6.434 2.227 647 HB3 TRP 78 HB3 TRP 78 -0.895 4.931 1.407 648 HD1 TRP 78 HD1 TRP 78 -1.289 2.654 2.751 649 HE1 TRP 78 HE1 TRP 78 -2.681 2.107 4.843 650 HE3 TRP 78 HE3 TRP 78 -2.050 7.406 4.490 651 HZ2 TRP 78 HZ2 TRP 78 -3.927 3.499 6.951 652 HZ3 TRP 78 HZ3 TRP 78 -3.351 7.707 6.553 653 HH2 TRP 78 HH2 TRP 78 -4.270 5.792 7.759 654 H LEU 79 H LEU 79 1.557 4.294 0.738 655 HA LEU 79 HA LEU 79 1.841 1.787 1.943 656 HB2 LEU 79 HB2 LEU 79 3.306 2.939 -0.432 657 HB3 LEU 79 HB3 LEU 79 3.329 1.246 0.024 658 HG LEU 79 HG LEU 79 0.870 2.792 -0.791 659 HD11 LEU 79 HD11 LEU 79 0.964 1.458 -2.828 660 HD12 LEU 79 HD12 LEU 79 2.472 0.722 -2.286 661 HD13 LEU 79 HD13 LEU 79 2.413 2.446 -2.650 662 HD21 LEU 79 HD21 LEU 79 -0.205 0.596 -0.837 663 HD22 LEU 79 HD22 LEU 79 0.371 0.999 0.781 664 HD23 LEU 79 HD23 LEU 79 1.272 -0.142 -0.218 665 H LYS 80 H LYS 80 4.232 4.383 1.480 666 HA LYS 80 HA LYS 80 6.486 3.018 2.371 667 HB2 LYS 80 HB2 LYS 80 6.772 5.106 1.312 668 HB3 LYS 80 HB3 LYS 80 5.669 5.908 2.421 669 HG2 LYS 80 HG2 LYS 80 7.510 5.084 4.170 670 HG3 LYS 80 HG3 LYS 80 8.523 5.257 2.732 671 HD2 LYS 80 HD2 LYS 80 6.624 7.372 3.704 672 HD3 LYS 80 HD3 LYS 80 8.322 7.306 4.148 673 HE2 LYS 80 HE2 LYS 80 7.454 7.301 1.288 674 HE3 LYS 80 HE3 LYS 80 7.640 8.801 2.186 675 HZ1 LYS 80 HZ1 LYS 80 9.705 8.514 1.202 676 HZ2 LYS 80 HZ2 LYS 80 9.695 6.836 1.401 677 HZ3 LYS 80 HZ3 LYS 80 9.964 7.842 2.737 678 H ARG 81 H ARG 81 4.127 4.958 4.177 679 HA ARG 81 HA ARG 81 5.182 4.814 6.728 680 HB2 ARG 81 HB2 ARG 81 2.297 4.694 5.844 681 HB3 ARG 81 HB3 ARG 81 2.790 4.895 7.517 682 HG2 ARG 81 HG2 ARG 81 3.810 7.016 7.012 683 HG3 ARG 81 HG3 ARG 81 3.489 6.797 5.288 684 HD2 ARG 81 HD2 ARG 81 1.133 6.916 5.633 685 HD3 ARG 81 HD3 ARG 81 1.327 6.851 7.383 686 HE ARG 81 HE ARG 81 2.702 9.095 6.598 687 HH11 ARG 81 HH11 ARG 81 -0.589 7.938 6.300 688 HH12 ARG 81 HH12 ARG 81 -1.295 9.524 6.350 689 HH21 ARG 81 HH21 ARG 81 1.777 11.193 6.669 690 HH22 ARG 81 HH22 ARG 81 0.048 11.371 6.565 691 H MET 82 H MET 82 3.085 2.475 5.096 692 HA MET 82 HA MET 82 2.814 0.706 7.283 693 HB2 MET 82 HB2 MET 82 1.238 0.727 5.418 694 HB3 MET 82 HB3 MET 82 2.502 0.199 4.319 695 HG2 MET 82 HG2 MET 82 2.680 -1.910 5.544 696 HG3 MET 82 HG3 MET 82 1.399 -1.376 6.633 697 HE1 MET 82 HE1 MET 82 1.656 -0.778 2.746 698 HE2 MET 82 HE2 MET 82 0.778 -2.178 2.127 699 HE3 MET 82 HE3 MET 82 2.318 -2.399 2.958 700 H PHE 83 H PHE 83 4.929 0.594 4.413 701 HA PHE 83 HA PHE 83 6.189 -1.838 5.141 702 HB2 PHE 83 HB2 PHE 83 7.120 0.374 3.304 703 HB3 PHE 83 HB3 PHE 83 7.939 -1.176 3.478 704 HD1 PHE 83 HD1 PHE 83 5.976 -3.181 3.427 705 HD2 PHE 83 HD2 PHE 83 5.996 0.518 1.325 706 HE1 PHE 83 HE1 PHE 83 4.503 -4.152 1.713 707 HE2 PHE 83 HE2 PHE 83 4.520 -0.443 -0.392 708 HZ PHE 83 HZ PHE 83 3.771 -2.779 -0.199 709 H ASN 84 H ASN 84 6.977 1.541 5.736 710 HA ASN 84 HA ASN 84 9.486 1.234 6.917 711 HB2 ASN 84 HB2 ASN 84 8.752 3.442 6.449 712 HB3 ASN 84 HB3 ASN 84 7.269 3.228 7.372 713 HD21 ASN 84 HD21 ASN 84 10.707 3.754 7.554 714 HD22 ASN 84 HD22 ASN 84 10.736 4.267 9.205 715 H TYR 85 H TYR 85 6.263 1.086 8.368 716 HA TYR 85 HA TYR 85 7.059 0.629 11.014 717 HB2 TYR 85 HB2 TYR 85 4.753 1.220 10.325 718 HB3 TYR 85 HB3 TYR 85 4.571 -0.375 9.604 719 HD1 TYR 85 HD2 TYR 85 5.203 1.341 12.837 720 HD2 TYR 85 HD1 TYR 85 3.817 -2.175 10.885 721 HE1 TYR 85 HE2 TYR 85 4.414 0.463 14.994 722 HE2 TYR 85 HE1 TYR 85 3.028 -3.065 13.036 723 HH TYR 85 HH TYR 85 2.668 -1.219 15.787 724 H ALA 86 H ALA 86 6.534 -1.600 8.326 725 HA ALA 86 HA ALA 86 6.925 -3.992 9.788 726 HB1 ALA 86 HB1 ALA 86 5.851 -3.960 7.596 727 HB2 ALA 86 HB2 ALA 86 7.237 -5.050 7.610 728 HB3 ALA 86 HB3 ALA 86 7.371 -3.463 6.852 729 H ILE 87 H ILE 87 9.097 -1.643 8.445 730 HA ILE 87 HA ILE 87 11.469 -3.201 8.512 731 HB ILE 87 HB ILE 87 11.118 -0.205 8.717 732 HG12 ILE 87 HG12 ILE 87 11.890 -1.974 6.391 733 HG13 ILE 87 HG13 ILE 87 10.323 -1.203 6.613 734 HG21 ILE 87 HG21 ILE 87 13.497 -0.053 8.134 735 HG22 ILE 87 HG22 ILE 87 13.631 -1.808 8.254 736 HG23 ILE 87 HG23 ILE 87 13.248 -0.852 9.687 737 HD11 ILE 87 HD11 ILE 87 12.944 0.221 6.233 738 HD12 ILE 87 HD12 ILE 87 11.369 0.986 6.445 739 HD13 ILE 87 HD13 ILE 87 11.689 0.006 5.013 740 H LYS 88 H LYS 88 10.049 -0.900 10.832 741 HA LYS 88 HA LYS 88 12.016 -1.147 12.805 742 HB2 LYS 88 HB2 LYS 88 9.094 -0.459 13.030 743 HB3 LYS 88 HB3 LYS 88 10.190 -0.427 14.404 744 HG2 LYS 88 HG2 LYS 88 10.632 1.672 13.867 745 HG3 LYS 88 HG3 LYS 88 11.496 1.048 12.461 746 HD2 LYS 88 HD2 LYS 88 9.952 2.664 11.672 747 HD3 LYS 88 HD3 LYS 88 9.315 1.088 11.230 748 HE2 LYS 88 HE2 LYS 88 7.678 1.151 12.911 749 HE3 LYS 88 HE3 LYS 88 8.472 2.481 13.751 750 HZ1 LYS 88 HZ1 LYS 88 6.443 3.099 12.444 751 HZ2 LYS 88 HZ2 LYS 88 7.318 2.746 11.033 752 HZ3 LYS 88 HZ3 LYS 88 7.835 3.986 12.058 753 H ARG 89 H ARG 89 8.959 -2.881 12.414 754 HA ARG 89 HA ARG 89 9.392 -4.601 14.649 755 HB2 ARG 89 HB2 ARG 89 7.523 -4.718 12.307 756 HB3 ARG 89 HB3 ARG 89 7.641 -6.066 13.426 757 HG2 ARG 89 HG2 ARG 89 7.169 -4.360 15.261 758 HG3 ARG 89 HG3 ARG 89 6.688 -3.276 13.952 759 HD2 ARG 89 HD2 ARG 89 5.046 -4.901 13.188 760 HD3 ARG 89 HD3 ARG 89 5.546 -6.024 14.450 761 HE ARG 89 HE ARG 89 4.293 -3.406 15.016 762 HH11 ARG 89 HH11 ARG 89 4.713 -6.815 15.698 763 HH12 ARG 89 HH12 ARG 89 3.512 -6.851 16.949 764 HH21 ARG 89 HH21 ARG 89 2.703 -3.443 16.634 765 HH22 ARG 89 HH22 ARG 89 2.345 -4.926 17.465 766 H HIS 90 H HIS 90 11.044 -4.481 11.796 767 HA HIS 90 HA HIS 90 12.557 -5.826 10.781 768 HB2 HIS 90 HB2 HIS 90 12.282 -7.309 13.390 769 HB3 HIS 90 HB3 HIS 90 13.375 -7.845 12.119 770 HD1 HIS 90 HD1 HIS 90 14.818 -7.250 14.555 771 HD2 HIS 90 HD2 HIS 90 13.790 -4.210 11.905 772 HE1 HIS 90 HE1 HIS 90 16.407 -5.361 15.036 773 HE2 HIS 90 HE2 HIS 90 15.711 -3.497 13.482 774 H ILE 91 H ILE 91 9.637 -6.299 10.453 775 HA ILE 91 HA ILE 91 9.192 -9.071 10.041 776 HB ILE 91 HB ILE 91 7.878 -6.743 8.619 777 HG12 ILE 91 HG12 ILE 91 7.670 -6.561 11.068 778 HG13 ILE 91 HG13 ILE 91 6.118 -6.895 10.310 779 HG21 ILE 91 HG21 ILE 91 7.507 -8.860 7.487 780 HG22 ILE 91 HG22 ILE 91 6.018 -8.291 8.243 781 HG23 ILE 91 HG23 ILE 91 6.949 -9.586 8.995 782 HD11 ILE 91 HD11 ILE 91 7.864 -8.919 11.694 783 HD12 ILE 91 HD12 ILE 91 6.288 -9.230 10.965 784 HD13 ILE 91 HD13 ILE 91 6.419 -8.165 12.364 785 H ILE 92 H ILE 92 10.168 -6.426 7.925 786 HA ILE 92 HA ILE 92 11.441 -8.386 6.147 787 HB ILE 92 HB ILE 92 10.926 -6.795 4.238 788 HG12 ILE 92 HG12 ILE 92 8.883 -5.764 6.223 789 HG13 ILE 92 HG13 ILE 92 10.240 -4.855 5.570 790 HG21 ILE 92 HG21 ILE 92 8.681 -7.737 3.880 791 HG22 ILE 92 HG22 ILE 92 8.656 -8.270 5.562 792 HG23 ILE 92 HG23 ILE 92 9.841 -8.941 4.440 793 HD11 ILE 92 HD11 ILE 92 9.263 -5.000 3.340 794 HD12 ILE 92 HD12 ILE 92 8.160 -4.238 4.484 795 HD13 ILE 92 HD13 ILE 92 7.905 -5.913 3.995 796 H GLU 93 H GLU 93 11.311 -5.069 7.317 797 HA GLU 93 HA GLU 93 12.903 -3.543 7.797 798 HB2 GLU 93 HB2 GLU 93 14.096 -5.752 8.579 799 HB3 GLU 93 HB3 GLU 93 15.120 -5.455 7.182 800 HG2 GLU 93 HG2 GLU 93 15.746 -3.290 8.054 801 HG3 GLU 93 HG3 GLU 93 14.653 -3.500 9.422 802 H TYR 94 H TYR 94 12.222 -4.644 4.911 803 HA TYR 94 HA TYR 94 14.056 -2.790 3.549 804 HB2 TYR 94 HB2 TYR 94 12.606 -5.213 2.459 805 HB3 TYR 94 HB3 TYR 94 13.443 -4.039 1.450 806 HD1 TYR 94 HD2 TYR 94 15.960 -3.680 1.946 807 HD2 TYR 94 HD1 TYR 94 13.754 -7.058 3.291 808 HE1 TYR 94 HE2 TYR 94 18.056 -4.938 2.205 809 HE2 TYR 94 HE1 TYR 94 15.844 -8.327 3.554 810 HH TYR 94 HH TYR 94 18.153 -8.285 2.585 811 H ASN 95 H ASN 95 13.143 -1.153 2.343 812 HA ASN 95 HA ASN 95 10.240 -0.889 2.508 813 HB2 ASN 95 HB2 ASN 95 11.823 0.843 3.501 814 HB3 ASN 95 HB3 ASN 95 12.231 1.267 1.840 815 HD21 ASN 95 HD21 ASN 95 11.010 2.852 3.876 816 HD22 ASN 95 HD22 ASN 95 9.483 3.331 3.257 817 HA PRO 96 HA PRO 96 10.829 -1.867 -1.977 818 HB2 PRO 96 HB2 PRO 96 8.204 -2.607 -2.320 819 HB3 PRO 96 HB3 PRO 96 9.492 -3.713 -1.832 820 HG2 PRO 96 HG2 PRO 96 7.453 -2.317 -0.152 821 HG3 PRO 96 HG3 PRO 96 8.057 -3.980 -0.031 822 HD2 PRO 96 HD2 PRO 96 8.907 -2.036 1.624 823 HD3 PRO 96 HD3 PRO 96 9.986 -3.332 1.069 824 H ALA 97 H ALA 97 8.755 0.263 -0.224 825 HA ALA 97 HA ALA 97 7.672 1.510 -2.618 826 HB1 ALA 97 HB1 ALA 97 6.412 2.914 -1.070 827 HB2 ALA 97 HB2 ALA 97 7.289 2.211 0.289 828 HB3 ALA 97 HB3 ALA 97 6.215 1.205 -0.682 829 H ALA 98 H ALA 98 10.529 1.695 -0.986 830 HA ALA 98 HA ALA 98 10.868 4.549 -0.901 831 HB1 ALA 98 HB1 ALA 98 12.960 2.382 -0.720 832 HB2 ALA 98 HB2 ALA 98 12.066 3.055 0.644 833 HB3 ALA 98 HB3 ALA 98 13.166 4.078 -0.280 834 H ALA 99 H ALA 99 10.806 2.371 -3.396 835 HA ALA 99 HA ALA 99 12.866 3.585 -5.033 836 HB1 ALA 99 HB1 ALA 99 10.779 1.515 -5.723 837 HB2 ALA 99 HB2 ALA 99 12.435 1.188 -5.210 838 HB3 ALA 99 HB3 ALA 99 12.134 1.999 -6.746 839 H PHE 100 H PHE 100 9.900 4.564 -4.093 840 HA PHE 100 HA PHE 100 9.548 6.179 -6.512 841 HB2 PHE 100 HB2 PHE 100 7.959 4.152 -6.384 842 HB3 PHE 100 HB3 PHE 100 7.192 4.994 -5.044 843 HD1 PHE 100 HD1 PHE 100 8.062 5.314 -8.631 844 HD2 PHE 100 HD2 PHE 100 5.589 6.649 -5.436 845 HE1 PHE 100 HE1 PHE 100 6.681 6.575 -10.231 846 HE2 PHE 100 HE2 PHE 100 4.206 7.913 -7.026 847 HZ PHE 100 HZ PHE 100 4.752 7.877 -9.430 848 H ASP 101 H ASP 101 8.646 8.246 -6.109 849 HA ASP 101 HA ASP 101 9.036 9.129 -3.357 850 HB2 ASP 101 HB2 ASP 101 10.116 10.365 -5.214 851 HB3 ASP 101 HB3 ASP 101 8.524 10.758 -5.857 852 HA PRO 102 HA PRO 102 4.755 9.182 -2.283 853 HB2 PRO 102 HB2 PRO 102 4.841 11.320 -0.537 854 HB3 PRO 102 HB3 PRO 102 5.266 9.656 -0.123 855 HG2 PRO 102 HG2 PRO 102 7.043 11.940 -0.879 856 HG3 PRO 102 HG3 PRO 102 7.274 10.708 0.377 857 HD2 PRO 102 HD2 PRO 102 8.570 10.548 -1.946 858 HD3 PRO 102 HD3 PRO 102 7.930 9.090 -1.157 859 H GLY 103 H GLY 103 6.318 11.892 -3.738 860 HA2 GLY 103 HA2 GLY 103 5.539 13.506 -5.155 861 HA3 GLY 103 HA3 GLY 103 4.175 12.438 -5.420 862 H ASP 104 H ASP 104 5.394 14.853 -3.096 863 HA ASP 104 HA ASP 104 2.742 15.507 -2.219 864 HB2 ASP 104 HB2 ASP 104 4.761 15.869 -0.793 865 HB3 ASP 104 HB3 ASP 104 5.273 17.139 -1.902 866 H ALA 105 H ALA 105 1.328 16.525 -3.460 867 HA ALA 105 HA ALA 105 2.137 18.777 -5.101 868 HB1 ALA 105 HB1 ALA 105 1.261 17.852 -7.176 869 HB2 ALA 105 HB2 ALA 105 0.910 16.326 -6.362 870 HB3 ALA 105 HB3 ALA 105 2.579 16.857 -6.558 871 H GLY 106 H GLY 106 0.117 19.562 -6.387 872 HA2 GLY 106 HA2 GLY 106 -2.012 19.822 -4.415 873 HA3 GLY 106 HA3 GLY 106 -1.826 20.764 -5.890 874 H GLY 107 H GLY 107 -2.867 17.679 -4.576 875 HA2 GLY 107 HA2 GLY 107 -4.650 17.380 -6.899 876 HA3 GLY 107 HA3 GLY 107 -3.639 16.030 -6.407 877 H LYS 108 H LYS 108 -4.402 17.611 -3.624 878 HA LYS 108 HA LYS 108 -6.305 15.652 -2.813 879 HB2 LYS 108 HB2 LYS 108 -5.200 18.139 -1.540 880 HB3 LYS 108 HB3 LYS 108 -6.514 17.242 -0.789 881 HG2 LYS 108 HG2 LYS 108 -3.820 16.109 -1.500 882 HG3 LYS 108 HG3 LYS 108 -4.331 16.620 0.113 883 HD2 LYS 108 HD2 LYS 108 -6.099 14.964 0.109 884 HD3 LYS 108 HD3 LYS 108 -5.676 14.483 -1.536 885 HE2 LYS 108 HE2 LYS 108 -3.524 13.724 -0.803 886 HE3 LYS 108 HE3 LYS 108 -3.831 14.318 0.824 887 HZ1 LYS 108 HZ1 LYS 108 -4.159 11.916 0.632 888 HZ2 LYS 108 HZ2 LYS 108 -5.371 12.165 -0.525 889 HZ3 LYS 108 HZ3 LYS 108 -5.597 12.708 1.067 890 H LEU 109 H LEU 109 -8.367 16.358 -1.699 891 HA LEU 109 HA LEU 109 -9.983 17.716 -3.669 892 HB2 LEU 109 HB2 LEU 109 -10.841 15.735 -2.509 893 HB3 LEU 109 HB3 LEU 109 -10.711 16.566 -0.970 894 HG LEU 109 HG LEU 109 -12.405 18.211 -1.768 895 HD11 LEU 109 HD11 LEU 109 -13.744 17.649 -3.738 896 HD12 LEU 109 HD12 LEU 109 -12.649 16.313 -4.096 897 HD13 LEU 109 HD13 LEU 109 -12.062 17.975 -4.159 898 HD21 LEU 109 HD21 LEU 109 -14.321 16.696 -1.559 899 HD22 LEU 109 HD22 LEU 109 -13.070 16.349 -0.366 900 HD23 LEU 109 HD23 LEU 109 -13.246 15.316 -1.785 901 H GLU 110 H GLU 110 -9.485 19.864 -3.703 902 HA GLU 110 HA GLU 110 -9.199 21.410 -1.312 903 HB2 GLU 110 HB2 GLU 110 -8.217 21.874 -3.666 904 HB3 GLU 110 HB3 GLU 110 -9.796 22.559 -4.026 905 HG2 GLU 110 HG2 GLU 110 -8.340 24.331 -3.397 906 HG3 GLU 110 HG3 GLU 110 -9.503 24.093 -2.090 907 H HIS 111 H HIS 111 -10.909 21.664 -0.024 908 HA HIS 111 HA HIS 111 -13.440 22.507 -1.236 909 HB2 HIS 111 HB2 HIS 111 -14.714 21.014 0.235 910 HB3 HIS 111 HB3 HIS 111 -13.641 20.100 -0.813 911 HD1 HIS 111 HD1 HIS 111 -11.359 19.218 0.425 912 HD2 HIS 111 HD2 HIS 111 -14.501 20.431 2.865 913 HE1 HIS 111 HE1 HIS 111 -10.890 18.223 2.685 914 HE2 HIS 111 HE2 HIS 111 -12.673 19.175 4.194 915 H HIS 112 H HIS 112 -13.970 24.401 -0.427 916 HA HIS 112 HA HIS 112 -13.535 24.918 2.430 917 HB2 HIS 112 HB2 HIS 112 -12.632 26.791 0.228 918 HB3 HIS 112 HB3 HIS 112 -12.645 27.182 1.942 919 HD1 HIS 112 HD1 HIS 112 -10.929 25.781 3.456 920 HD2 HIS 112 HD2 HIS 112 -10.394 25.496 -0.659 921 HE1 HIS 112 HE1 HIS 112 -8.612 24.858 3.131 922 HE2 HIS 112 HE2 HIS 112 -8.396 24.503 0.643 923 H HIS 113 H HIS 113 -15.148 26.005 3.367 924 HA HIS 113 HA HIS 113 -16.884 27.654 1.676 925 HB2 HIS 113 HB2 HIS 113 -18.871 26.933 3.005 926 HB3 HIS 113 HB3 HIS 113 -18.192 25.663 2.001 927 HD1 HIS 113 HD1 HIS 113 -18.915 26.572 5.522 928 HD2 HIS 113 HD2 HIS 113 -16.946 23.558 3.437 929 HE1 HIS 113 HE1 HIS 113 -18.603 24.700 7.172 930 HE2 HIS 113 HE2 HIS 113 -17.577 22.819 5.838 931 H HIS 114 H HIS 114 -16.790 29.638 2.339 932 HA HIS 114 HA HIS 114 -15.472 30.347 4.760 933 HB2 HIS 114 HB2 HIS 114 -15.452 31.649 2.588 934 HB3 HIS 114 HB3 HIS 114 -17.088 32.168 2.969 935 HD1 HIS 114 HD1 HIS 114 -13.516 32.610 4.035 936 HD2 HIS 114 HD2 HIS 114 -17.276 34.168 4.913 937 HE1 HIS 114 HE1 HIS 114 -13.095 34.681 5.403 938 HE2 HIS 114 HE2 HIS 114 -15.371 35.705 5.760 939 H HIS 115 H HIS 115 -16.273 31.189 6.652 940 HA HIS 115 HA HIS 115 -19.068 30.637 7.193 941 HB2 HIS 115 HB2 HIS 115 -17.382 30.014 8.862 942 HB3 HIS 115 HB3 HIS 115 -16.875 31.693 9.001 943 HD1 HIS 115 HD1 HIS 115 -19.796 29.431 9.794 944 HD2 HIS 115 HD2 HIS 115 -18.358 33.216 10.756 945 HE1 HIS 115 HE1 HIS 115 -21.241 30.248 11.686 946 HE2 HIS 115 HE2 HIS 115 -20.206 32.436 12.391 947 H HIS 116 H HIS 116 -20.351 32.124 6.249 948 HA HIS 116 HA HIS 116 -20.278 34.810 7.330 949 HB2 HIS 116 HB2 HIS 116 -18.813 34.839 5.271 950 HB3 HIS 116 HB3 HIS 116 -20.238 34.419 4.330 951 HD1 HIS 116 HD1 HIS 116 -21.891 36.292 3.794 952 HD2 HIS 116 HD2 HIS 116 -18.815 37.465 6.342 953 HE1 HIS 116 HE1 HIS 116 -22.055 38.799 3.957 954 HE2 HIS 116 HE2 HIS 116 -20.308 39.460 5.648 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -0.031 -8.449 16.329 2 H2 MET 1 H2 MET 1 0.002 -8.115 14.668 3 H3 MET 1 H3 MET 1 -0.328 -6.873 15.768 4 HA MET 1 HA MET 1 1.915 -6.701 14.945 5 HB2 MET 1 HB2 MET 1 1.749 -7.605 17.832 6 HB3 MET 1 HB3 MET 1 3.105 -6.736 17.130 7 HG2 MET 1 HG2 MET 1 1.820 -5.152 18.306 8 HG3 MET 1 HG3 MET 1 1.510 -4.878 16.593 9 HE1 MET 1 HE1 MET 1 -0.345 -3.554 18.688 10 HE2 MET 1 HE2 MET 1 -1.946 -3.939 18.058 11 HE3 MET 1 HE3 MET 1 -0.649 -3.481 16.952 12 H ALA 2 H ALA 2 4.101 -7.617 14.977 13 HA ALA 2 HA ALA 2 4.058 -10.379 14.228 14 HB1 ALA 2 HB1 ALA 2 6.443 -10.094 13.776 15 HB2 ALA 2 HB2 ALA 2 6.409 -8.515 14.559 16 HB3 ALA 2 HB3 ALA 2 5.503 -8.780 13.069 17 H GLU 3 H GLU 3 3.524 -11.596 15.965 18 HA GLU 3 HA GLU 3 5.022 -11.343 18.450 19 HB2 GLU 3 HB2 GLU 3 2.779 -13.226 17.695 20 HB3 GLU 3 HB3 GLU 3 3.442 -13.007 19.308 21 HG2 GLU 3 HG2 GLU 3 2.613 -10.764 19.410 22 HG3 GLU 3 HG3 GLU 3 2.102 -10.833 17.723 23 H LYS 4 H LYS 4 4.483 -13.629 15.831 24 HA LYS 4 HA LYS 4 6.999 -14.942 16.439 25 HB2 LYS 4 HB2 LYS 4 5.920 -17.210 16.392 26 HB3 LYS 4 HB3 LYS 4 5.569 -16.259 17.826 27 HG2 LYS 4 HG2 LYS 4 3.378 -15.728 17.014 28 HG3 LYS 4 HG3 LYS 4 3.726 -16.485 15.458 29 HD2 LYS 4 HD2 LYS 4 3.958 -18.654 16.564 30 HD3 LYS 4 HD3 LYS 4 3.620 -17.898 18.125 31 HE2 LYS 4 HE2 LYS 4 1.402 -17.276 17.381 32 HE3 LYS 4 HE3 LYS 4 1.737 -17.912 15.770 33 HZ1 LYS 4 HZ1 LYS 4 0.420 -19.430 17.155 34 HZ2 LYS 4 HZ2 LYS 4 1.709 -19.549 18.251 35 HZ3 LYS 4 HZ3 LYS 4 1.890 -20.117 16.665 36 H ASN 5 H ASN 5 4.207 -14.497 14.385 37 HA ASN 5 HA ASN 5 5.710 -15.646 12.125 38 HB2 ASN 5 HB2 ASN 5 2.713 -15.357 12.462 39 HB3 ASN 5 HB3 ASN 5 3.518 -15.991 11.032 40 HD21 ASN 5 HD21 ASN 5 1.570 -17.216 12.810 41 HD22 ASN 5 HD22 ASN 5 2.303 -18.684 13.366 42 H ALA 6 H ALA 6 6.119 -14.378 10.403 43 HA ALA 6 HA ALA 6 5.424 -11.583 10.517 44 HB1 ALA 6 HB1 ALA 6 7.623 -12.292 9.704 45 HB2 ALA 6 HB2 ALA 6 6.745 -11.387 8.472 46 HB3 ALA 6 HB3 ALA 6 6.854 -13.145 8.366 47 H TYR 7 H TYR 7 3.301 -11.237 10.184 48 HA TYR 7 HA TYR 7 1.689 -12.747 8.422 49 HB2 TYR 7 HB2 TYR 7 0.073 -10.749 8.786 50 HB3 TYR 7 HB3 TYR 7 0.477 -11.793 10.142 51 HD1 TYR 7 HD2 TYR 7 1.985 -11.005 11.901 52 HD2 TYR 7 HD1 TYR 7 0.737 -8.431 8.756 53 HE1 TYR 7 HE2 TYR 7 2.695 -9.067 13.218 54 HE2 TYR 7 HE1 TYR 7 1.440 -6.473 10.076 55 HH TYR 7 HH TYR 7 1.775 -5.939 12.557 56 H THR 8 H THR 8 0.242 -11.446 6.792 57 HA THR 8 HA THR 8 2.111 -10.670 4.726 58 HB THR 8 HB THR 8 0.085 -10.748 3.267 59 HG1 THR 8 HG1 THR 8 -1.365 -11.980 5.319 60 HG21 THR 8 HG21 THR 8 1.496 -12.728 3.581 61 HG22 THR 8 HG22 THR 8 -0.200 -13.179 3.400 62 HG23 THR 8 HG23 THR 8 0.549 -13.182 4.998 63 H VAL 9 H VAL 9 1.263 -8.905 3.168 64 HA VAL 9 HA VAL 9 1.291 -6.440 4.530 65 HB VAL 9 HB VAL 9 2.153 -6.721 2.239 66 HG11 VAL 9 HG11 VAL 9 0.454 -8.222 1.359 67 HG12 VAL 9 HG12 VAL 9 0.630 -6.800 0.330 68 HG13 VAL 9 HG13 VAL 9 -0.743 -6.930 1.431 69 HG21 VAL 9 HG21 VAL 9 -0.038 -4.666 2.484 70 HG22 VAL 9 HG22 VAL 9 1.261 -4.636 1.292 71 HG23 VAL 9 HG23 VAL 9 1.637 -4.487 3.008 72 H ALA 10 H ALA 10 -1.294 -8.518 3.467 73 HA ALA 10 HA ALA 10 -3.432 -6.693 3.550 74 HB1 ALA 10 HB1 ALA 10 -3.613 -8.958 2.607 75 HB2 ALA 10 HB2 ALA 10 -4.867 -8.639 3.806 76 HB3 ALA 10 HB3 ALA 10 -3.474 -9.633 4.231 77 H GLN 11 H GLN 11 -2.012 -8.762 6.041 78 HA GLN 11 HA GLN 11 -3.782 -7.862 8.100 79 HB2 GLN 11 HB2 GLN 11 -1.144 -9.326 8.319 80 HB3 GLN 11 HB3 GLN 11 -2.320 -9.137 9.611 81 HG2 GLN 11 HG2 GLN 11 -2.682 -10.670 7.049 82 HG3 GLN 11 HG3 GLN 11 -2.500 -11.336 8.671 83 HE21 GLN 11 HE21 GLN 11 -4.223 -11.197 10.116 84 HE22 GLN 11 HE22 GLN 11 -5.833 -10.850 9.591 85 H LEU 12 H LEU 12 -0.560 -7.044 7.003 86 HA LEU 12 HA LEU 12 0.195 -5.358 9.117 87 HB2 LEU 12 HB2 LEU 12 1.722 -6.239 7.372 88 HB3 LEU 12 HB3 LEU 12 0.969 -5.173 6.204 89 HG LEU 12 HG LEU 12 1.761 -3.219 7.491 90 HD11 LEU 12 HD11 LEU 12 3.393 -3.517 9.268 91 HD12 LEU 12 HD12 LEU 12 3.204 -5.268 9.166 92 HD13 LEU 12 HD13 LEU 12 1.855 -4.266 9.699 93 HD21 LEU 12 HD21 LEU 12 3.896 -5.195 6.711 94 HD22 LEU 12 HD22 LEU 12 4.134 -3.460 6.924 95 HD23 LEU 12 HD23 LEU 12 3.081 -4.058 5.640 96 H ALA 13 H ALA 13 -1.435 -4.664 6.042 97 HA ALA 13 HA ALA 13 -1.676 -1.875 6.457 98 HB1 ALA 13 HB1 ALA 13 -3.268 -1.920 4.617 99 HB2 ALA 13 HB2 ALA 13 -3.376 -3.676 4.734 100 HB3 ALA 13 HB3 ALA 13 -1.860 -2.916 4.243 101 H ASP 14 H ASP 14 -3.724 -4.612 7.305 102 HA ASP 14 HA ASP 14 -5.996 -3.131 8.101 103 HB2 ASP 14 HB2 ASP 14 -6.170 -5.519 7.717 104 HB3 ASP 14 HB3 ASP 14 -5.018 -5.847 9.009 105 H GLU 15 H GLU 15 -3.185 -4.309 9.895 106 HA GLU 15 HA GLU 15 -4.016 -3.294 12.413 107 HB2 GLU 15 HB2 GLU 15 -2.331 -5.104 12.082 108 HB3 GLU 15 HB3 GLU 15 -1.212 -3.902 11.457 109 HG2 GLU 15 HG2 GLU 15 -0.909 -2.918 13.529 110 HG3 GLU 15 HG3 GLU 15 -2.404 -3.592 14.180 111 H TYR 16 H TYR 16 -2.009 -2.042 9.804 112 HA TYR 16 HA TYR 16 -1.231 0.384 10.962 113 HB2 TYR 16 HB2 TYR 16 -0.307 -0.515 8.858 114 HB3 TYR 16 HB3 TYR 16 -1.850 -0.240 8.062 115 HD1 TYR 16 HD1 TYR 16 0.956 1.520 9.750 116 HD2 TYR 16 HD2 TYR 16 -2.301 1.816 7.028 117 HE1 TYR 16 HE1 TYR 16 1.713 3.767 9.093 118 HE2 TYR 16 HE2 TYR 16 -1.556 4.063 6.369 119 HH TYR 16 HH TYR 16 -0.223 5.884 7.223 120 H PHE 17 H PHE 17 -4.118 -0.499 9.117 121 HA PHE 17 HA PHE 17 -5.355 1.986 8.942 122 HB2 PHE 17 HB2 PHE 17 -6.112 -0.048 7.756 123 HB3 PHE 17 HB3 PHE 17 -6.663 -0.728 9.280 124 HD1 PHE 17 HD2 PHE 17 -8.600 0.316 10.460 125 HD2 PHE 17 HD1 PHE 17 -7.436 1.479 6.537 126 HE1 PHE 17 HE2 PHE 17 -10.808 1.342 10.113 127 HE2 PHE 17 HE1 PHE 17 -9.641 2.505 6.184 128 HZ PHE 17 HZ PHE 17 -11.332 2.439 7.971 129 H GLU 18 H GLU 18 -5.687 -0.485 11.474 130 HA GLU 18 HA GLU 18 -7.677 0.862 12.935 131 HB2 GLU 18 HB2 GLU 18 -6.286 -1.583 13.111 132 HB3 GLU 18 HB3 GLU 18 -6.056 -0.774 14.655 133 HG2 GLU 18 HG2 GLU 18 -8.706 -1.339 13.341 134 HG3 GLU 18 HG3 GLU 18 -7.999 -2.236 14.682 135 H ARG 19 H ARG 19 -4.266 1.373 12.808 136 HA ARG 19 HA ARG 19 -4.338 2.862 15.326 137 HB2 ARG 19 HB2 ARG 19 -2.010 2.095 13.564 138 HB3 ARG 19 HB3 ARG 19 -1.873 3.017 15.056 139 HG2 ARG 19 HG2 ARG 19 -2.757 0.165 14.721 140 HG3 ARG 19 HG3 ARG 19 -1.342 0.774 15.585 141 HD2 ARG 19 HD2 ARG 19 -2.892 1.943 17.150 142 HD3 ARG 19 HD3 ARG 19 -4.237 1.140 16.344 143 HE ARG 19 HE ARG 19 -2.137 -0.203 17.927 144 HH11 ARG 19 HH11 ARG 19 -5.310 -0.203 16.434 145 HH12 ARG 19 HH12 ARG 19 -5.823 -1.672 17.209 146 HH21 ARG 19 HH21 ARG 19 -2.810 -2.114 18.971 147 HH22 ARG 19 HH22 ARG 19 -4.382 -2.777 18.639 148 H MET 20 H MET 20 -4.037 3.353 11.885 149 HA MET 20 HA MET 20 -3.303 6.157 12.284 150 HB2 MET 20 HB2 MET 20 -3.397 4.415 9.831 151 HB3 MET 20 HB3 MET 20 -3.112 6.147 9.757 152 HG2 MET 20 HG2 MET 20 -1.410 4.393 11.477 153 HG3 MET 20 HG3 MET 20 -1.103 4.536 9.749 154 HE1 MET 20 HE1 MET 20 -2.218 7.157 12.538 155 HE2 MET 20 HE2 MET 20 -0.671 7.949 12.837 156 HE3 MET 20 HE3 MET 20 -0.883 6.249 13.251 157 H ILE 21 H ILE 21 -6.079 4.285 11.650 158 HA ILE 21 HA ILE 21 -7.528 6.637 10.595 159 HB ILE 21 HB ILE 21 -8.374 3.732 10.436 160 HG12 ILE 21 HG12 ILE 21 -6.295 4.084 9.178 161 HG13 ILE 21 HG13 ILE 21 -7.649 3.801 8.089 162 HG21 ILE 21 HG21 ILE 21 -9.387 6.178 8.987 163 HG22 ILE 21 HG22 ILE 21 -10.235 5.287 10.252 164 HG23 ILE 21 HG23 ILE 21 -9.916 4.519 8.696 165 HD11 ILE 21 HD11 ILE 21 -6.432 6.478 8.742 166 HD12 ILE 21 HD12 ILE 21 -7.790 6.202 7.651 167 HD13 ILE 21 HD13 ILE 21 -6.199 5.558 7.255 168 H ALA 22 H ALA 22 -6.806 5.871 13.415 169 HA ALA 22 HA ALA 22 -9.525 5.698 14.534 170 HB1 ALA 22 HB1 ALA 22 -6.921 4.917 15.833 171 HB2 ALA 22 HB2 ALA 22 -8.087 3.806 15.113 172 HB3 ALA 22 HB3 ALA 22 -8.529 4.748 16.537 173 H GLY 23 H GLY 23 -7.700 8.089 13.703 174 HA2 GLY 23 HA2 GLY 23 -7.980 9.524 16.276 175 HA3 GLY 23 HA3 GLY 23 -6.522 9.679 15.312 176 H ARG 24 H ARG 24 -7.743 9.812 12.778 177 HA ARG 24 HA ARG 24 -9.575 12.052 12.757 178 HB2 ARG 24 HB2 ARG 24 -7.219 12.976 13.148 179 HB3 ARG 24 HB3 ARG 24 -6.832 12.390 11.539 180 HG2 ARG 24 HG2 ARG 24 -7.321 14.670 11.309 181 HG3 ARG 24 HG3 ARG 24 -8.734 13.808 10.694 182 HD2 ARG 24 HD2 ARG 24 -10.039 14.382 12.508 183 HD3 ARG 24 HD3 ARG 24 -8.644 14.630 13.563 184 HE ARG 24 HE ARG 24 -9.675 16.510 11.552 185 HH11 ARG 24 HH11 ARG 24 -7.544 15.764 14.232 186 HH12 ARG 24 HH12 ARG 24 -6.960 17.396 14.403 187 HH21 ARG 24 HH21 ARG 24 -8.948 18.670 11.784 188 HH22 ARG 24 HH22 ARG 24 -7.784 19.059 13.019 189 H TRP 25 H TRP 25 -10.936 10.903 11.354 190 HA TRP 25 HA TRP 25 -9.742 10.080 8.815 191 HB2 TRP 25 HB2 TRP 25 -10.664 7.844 8.958 192 HB3 TRP 25 HB3 TRP 25 -9.627 8.152 10.345 193 HD1 TRP 25 HD1 TRP 25 -12.998 6.975 9.437 194 HE1 TRP 25 HE1 TRP 25 -14.483 6.665 11.525 195 HE3 TRP 25 HE3 TRP 25 -10.056 9.352 12.863 196 HZ2 TRP 25 HZ2 TRP 25 -14.396 7.336 14.258 197 HZ3 TRP 25 HZ3 TRP 25 -10.828 9.473 15.195 198 HH2 TRP 25 HH2 TRP 25 -12.953 8.487 15.873 199 H LYS 26 H LYS 26 -12.807 10.258 10.632 200 HA LYS 26 HA LYS 26 -14.848 11.063 10.100 201 HB2 LYS 26 HB2 LYS 26 -13.455 12.244 7.701 202 HB3 LYS 26 HB3 LYS 26 -15.103 12.613 8.189 203 HG2 LYS 26 HG2 LYS 26 -14.247 13.472 10.334 204 HG3 LYS 26 HG3 LYS 26 -12.603 13.171 9.770 205 HD2 LYS 26 HD2 LYS 26 -14.602 15.005 8.454 206 HD3 LYS 26 HD3 LYS 26 -13.267 15.519 9.482 207 HE2 LYS 26 HE2 LYS 26 -11.690 14.483 7.878 208 HE3 LYS 26 HE3 LYS 26 -13.054 14.094 6.832 209 HZ1 LYS 26 HZ1 LYS 26 -11.958 16.124 6.125 210 HZ2 LYS 26 HZ2 LYS 26 -12.220 16.827 7.647 211 HZ3 LYS 26 HZ3 LYS 26 -13.537 16.459 6.649 212 H HIS 27 H HIS 27 -13.213 9.375 7.463 213 HA HIS 27 HA HIS 27 -15.727 8.078 6.756 214 HB2 HIS 27 HB2 HIS 27 -14.023 9.646 4.817 215 HB3 HIS 27 HB3 HIS 27 -15.119 8.376 4.288 216 HD1 HIS 27 HD1 HIS 27 -17.577 8.952 4.100 217 HD2 HIS 27 HD2 HIS 27 -15.320 11.963 5.883 218 HE1 HIS 27 HE1 HIS 27 -19.104 10.944 4.263 219 HE2 HIS 27 HE2 HIS 27 -17.664 12.797 5.177 220 HA PRO 28 HA PRO 28 -12.210 5.201 7.287 221 HB2 PRO 28 HB2 PRO 28 -14.392 3.320 7.901 222 HB3 PRO 28 HB3 PRO 28 -12.991 3.773 8.877 223 HG2 PRO 28 HG2 PRO 28 -15.456 4.599 9.522 224 HG3 PRO 28 HG3 PRO 28 -14.043 5.634 9.763 225 HD2 PRO 28 HD2 PRO 28 -16.084 5.684 7.575 226 HD3 PRO 28 HD3 PRO 28 -15.369 7.036 8.480 227 H ASN 29 H ASN 29 -15.253 4.586 5.599 228 HA ASN 29 HA ASN 29 -14.406 2.231 4.307 229 HB2 ASN 29 HB2 ASN 29 -16.367 2.465 2.891 230 HB3 ASN 29 HB3 ASN 29 -16.781 2.813 4.565 231 HD21 ASN 29 HD21 ASN 29 -17.924 3.591 1.912 232 HD22 ASN 29 HD22 ASN 29 -18.083 5.316 1.988 233 H ILE 30 H ILE 30 -14.114 5.612 3.452 234 HA ILE 30 HA ILE 30 -13.500 5.312 0.728 235 HB ILE 30 HB ILE 30 -12.544 7.454 2.638 236 HG12 ILE 30 HG12 ILE 30 -14.989 7.285 2.555 237 HG13 ILE 30 HG13 ILE 30 -14.436 8.769 1.790 238 HG21 ILE 30 HG21 ILE 30 -11.194 7.435 0.631 239 HG22 ILE 30 HG22 ILE 30 -12.265 8.837 0.620 240 HG23 ILE 30 HG23 ILE 30 -12.642 7.431 -0.377 241 HD11 ILE 30 HD11 ILE 30 -15.322 6.266 0.376 242 HD12 ILE 30 HD12 ILE 30 -14.737 7.733 -0.409 243 HD13 ILE 30 HD13 ILE 30 -16.234 7.766 0.524 244 H VAL 31 H VAL 31 -11.316 5.678 3.525 245 HA VAL 31 HA VAL 31 -8.981 5.194 1.971 246 HB VAL 31 HB VAL 31 -8.829 6.518 4.002 247 HG11 VAL 31 HG11 VAL 31 -9.505 3.990 5.496 248 HG12 VAL 31 HG12 VAL 31 -10.548 5.398 5.313 249 HG13 VAL 31 HG13 VAL 31 -9.040 5.531 6.217 250 HG21 VAL 31 HG21 VAL 31 -6.876 5.443 5.040 251 HG22 VAL 31 HG22 VAL 31 -6.819 5.373 3.279 252 HG23 VAL 31 HG23 VAL 31 -7.270 3.941 4.203 253 H ARG 32 H ARG 32 -11.162 3.159 3.820 254 HA ARG 32 HA ARG 32 -9.551 0.842 3.900 255 HB2 ARG 32 HB2 ARG 32 -11.554 1.066 5.288 256 HB3 ARG 32 HB3 ARG 32 -12.567 1.083 3.850 257 HG2 ARG 32 HG2 ARG 32 -12.677 -1.088 4.841 258 HG3 ARG 32 HG3 ARG 32 -11.781 -1.204 3.326 259 HD2 ARG 32 HD2 ARG 32 -9.673 -0.981 4.737 260 HD3 ARG 32 HD3 ARG 32 -10.710 -1.264 6.137 261 HE ARG 32 HE ARG 32 -10.194 -3.180 3.955 262 HH11 ARG 32 HH11 ARG 32 -11.322 -2.501 7.211 263 HH12 ARG 32 HH12 ARG 32 -11.507 -4.180 7.618 264 HH21 ARG 32 HH21 ARG 32 -10.424 -5.356 4.491 265 HH22 ARG 32 HH22 ARG 32 -10.975 -5.808 6.082 266 H SER 33 H SER 33 -11.809 2.091 1.485 267 HA SER 33 HA SER 33 -11.797 -0.152 -0.216 268 HB2 SER 33 HB2 SER 33 -12.184 2.770 -0.908 269 HB3 SER 33 HB3 SER 33 -12.597 1.410 -1.953 270 HG SER 33 HG SER 33 -13.750 2.132 0.536 271 H ARG 34 H ARG 34 -9.599 2.553 0.145 272 HA ARG 34 HA ARG 34 -8.034 2.033 -2.156 273 HB2 ARG 34 HB2 ARG 34 -7.723 3.648 0.315 274 HB3 ARG 34 HB3 ARG 34 -6.240 3.195 -0.513 275 HG2 ARG 34 HG2 ARG 34 -7.208 5.426 -1.140 276 HG3 ARG 34 HG3 ARG 34 -6.882 4.330 -2.485 277 HD2 ARG 34 HD2 ARG 34 -9.225 3.718 -2.586 278 HD3 ARG 34 HD3 ARG 34 -9.575 4.727 -1.185 279 HE ARG 34 HE ARG 34 -9.331 6.639 -2.513 280 HH11 ARG 34 HH11 ARG 34 -8.566 3.767 -4.374 281 HH12 ARG 34 HH12 ARG 34 -8.984 4.498 -5.898 282 HH21 ARG 34 HH21 ARG 34 -9.833 7.604 -4.504 283 HH22 ARG 34 HH22 ARG 34 -9.689 6.688 -5.969 284 H ILE 35 H ILE 35 -7.944 0.832 1.155 285 HA ILE 35 HA ILE 35 -5.535 -0.646 0.841 286 HB ILE 35 HB ILE 35 -7.802 -1.090 2.795 287 HG12 ILE 35 HG12 ILE 35 -5.204 0.441 3.054 288 HG13 ILE 35 HG13 ILE 35 -6.818 1.142 2.988 289 HG21 ILE 35 HG21 ILE 35 -6.404 -3.072 2.564 290 HG22 ILE 35 HG22 ILE 35 -6.143 -2.305 4.130 291 HG23 ILE 35 HG23 ILE 35 -4.959 -2.099 2.840 292 HD11 ILE 35 HD11 ILE 35 -7.375 0.081 5.100 293 HD12 ILE 35 HD12 ILE 35 -5.941 1.096 5.255 294 HD13 ILE 35 HD13 ILE 35 -5.775 -0.659 5.160 295 H GLU 36 H GLU 36 -8.968 -1.498 0.580 296 HA GLU 36 HA GLU 36 -8.555 -4.260 0.159 297 HB2 GLU 36 HB2 GLU 36 -10.894 -2.474 -0.500 298 HB3 GLU 36 HB3 GLU 36 -10.920 -4.219 -0.702 299 HG2 GLU 36 HG2 GLU 36 -10.523 -2.728 1.882 300 HG3 GLU 36 HG3 GLU 36 -11.981 -3.581 1.376 301 H LYS 37 H LYS 37 -8.555 -1.544 -2.043 302 HA LYS 37 HA LYS 37 -8.512 -3.399 -4.335 303 HB2 LYS 37 HB2 LYS 37 -10.306 -1.723 -4.301 304 HB3 LYS 37 HB3 LYS 37 -9.080 -0.456 -4.330 305 HG2 LYS 37 HG2 LYS 37 -8.288 -1.985 -6.405 306 HG3 LYS 37 HG3 LYS 37 -10.040 -2.202 -6.468 307 HD2 LYS 37 HD2 LYS 37 -10.415 -0.053 -7.023 308 HD3 LYS 37 HD3 LYS 37 -9.062 0.546 -6.055 309 HE2 LYS 37 HE2 LYS 37 -8.756 -0.968 -8.629 310 HE3 LYS 37 HE3 LYS 37 -8.768 0.777 -8.498 311 HZ1 LYS 37 HZ1 LYS 37 -6.834 -1.016 -7.166 312 HZ2 LYS 37 HZ2 LYS 37 -6.836 0.681 -7.070 313 HZ3 LYS 37 HZ3 LYS 37 -6.518 -0.093 -8.549 314 H ASP 38 H ASP 38 -7.062 -0.306 -3.357 315 HA ASP 38 HA ASP 38 -5.144 -0.482 -5.480 316 HB2 ASP 38 HB2 ASP 38 -5.283 1.520 -3.219 317 HB3 ASP 38 HB3 ASP 38 -4.412 1.703 -4.740 318 H ILE 39 H ILE 39 -4.967 -0.644 -1.932 319 HA ILE 39 HA ILE 39 -2.134 -1.052 -1.923 320 HB ILE 39 HB ILE 39 -4.206 -1.435 0.241 321 HG12 ILE 39 HG12 ILE 39 -2.156 0.732 -0.272 322 HG13 ILE 39 HG13 ILE 39 -3.896 0.881 -0.485 323 HG21 ILE 39 HG21 ILE 39 -1.199 -1.516 0.491 324 HG22 ILE 39 HG22 ILE 39 -2.287 -2.894 0.657 325 HG23 ILE 39 HG23 ILE 39 -2.355 -1.574 1.823 326 HD11 ILE 39 HD11 ILE 39 -4.209 0.574 1.918 327 HD12 ILE 39 HD12 ILE 39 -3.172 1.955 1.556 328 HD13 ILE 39 HD13 ILE 39 -2.462 0.442 2.121 329 H LYS 40 H LYS 40 -4.962 -3.161 -1.818 330 HA LYS 40 HA LYS 40 -3.137 -5.467 -2.030 331 HB2 LYS 40 HB2 LYS 40 -5.940 -5.434 -0.898 332 HB3 LYS 40 HB3 LYS 40 -4.904 -6.847 -1.030 333 HG2 LYS 40 HG2 LYS 40 -3.338 -5.860 0.556 334 HG3 LYS 40 HG3 LYS 40 -4.352 -4.420 0.670 335 HD2 LYS 40 HD2 LYS 40 -5.214 -7.218 1.402 336 HD3 LYS 40 HD3 LYS 40 -4.705 -5.978 2.550 337 HE2 LYS 40 HE2 LYS 40 -6.564 -4.571 1.910 338 HE3 LYS 40 HE3 LYS 40 -7.033 -5.710 0.651 339 HZ1 LYS 40 HZ1 LYS 40 -8.400 -5.911 2.659 340 HZ2 LYS 40 HZ2 LYS 40 -7.020 -6.314 3.565 341 HZ3 LYS 40 HZ3 LYS 40 -7.546 -7.342 2.323 342 HA PRO 41 HA PRO 41 -5.630 -5.318 -5.933 343 HB2 PRO 41 HB2 PRO 41 -3.566 -5.556 -7.662 344 HB3 PRO 41 HB3 PRO 41 -4.082 -3.997 -7.011 345 HG2 PRO 41 HG2 PRO 41 -1.778 -5.718 -6.215 346 HG3 PRO 41 HG3 PRO 41 -1.871 -3.953 -6.338 347 HD2 PRO 41 HD2 PRO 41 -2.044 -5.356 -3.977 348 HD3 PRO 41 HD3 PRO 41 -2.724 -3.738 -4.227 349 H ALA 42 H ALA 42 -2.720 -7.296 -5.383 350 HA ALA 42 HA ALA 42 -4.156 -9.756 -5.545 351 HB1 ALA 42 HB1 ALA 42 -3.079 -10.641 -7.560 352 HB2 ALA 42 HB2 ALA 42 -2.309 -9.079 -7.839 353 HB3 ALA 42 HB3 ALA 42 -4.064 -9.228 -7.941 354 H ILE 43 H ILE 43 -2.446 -8.451 -3.716 355 HA ILE 43 HA ILE 43 -0.221 -10.353 -3.585 356 HB ILE 43 HB ILE 43 1.290 -8.482 -2.814 357 HG12 ILE 43 HG12 ILE 43 -0.760 -6.736 -4.185 358 HG13 ILE 43 HG13 ILE 43 -0.579 -6.858 -2.440 359 HG21 ILE 43 HG21 ILE 43 0.344 -8.413 -5.674 360 HG22 ILE 43 HG22 ILE 43 1.548 -9.510 -5.000 361 HG23 ILE 43 HG23 ILE 43 1.882 -7.779 -5.087 362 HD11 ILE 43 HD11 ILE 43 0.504 -4.869 -3.336 363 HD12 ILE 43 HD12 ILE 43 1.527 -5.885 -4.353 364 HD13 ILE 43 HD13 ILE 43 1.674 -5.963 -2.597 365 H GLY 44 H GLY 44 -2.866 -9.451 -2.157 366 HA2 GLY 44 HA2 GLY 44 -2.351 -8.362 0.328 367 HA3 GLY 44 HA3 GLY 44 -3.679 -9.456 -0.016 368 H SER 45 H SER 45 -2.435 -11.839 -0.471 369 HA SER 45 HA SER 45 -1.351 -12.373 2.207 370 HB2 SER 45 HB2 SER 45 -3.476 -13.528 1.394 371 HB3 SER 45 HB3 SER 45 -2.451 -14.415 0.270 372 HG SER 45 HG SER 45 -1.847 -15.661 1.844 373 H LEU 46 H LEU 46 0.210 -11.334 -0.043 374 HA LEU 46 HA LEU 46 1.947 -13.620 -0.668 375 HB2 LEU 46 HB2 LEU 46 1.020 -12.157 -2.510 376 HB3 LEU 46 HB3 LEU 46 2.005 -10.853 -1.876 377 HG LEU 46 HG LEU 46 4.037 -12.148 -2.347 378 HD11 LEU 46 HD11 LEU 46 2.155 -14.166 -3.570 379 HD12 LEU 46 HD12 LEU 46 3.089 -14.394 -2.091 380 HD13 LEU 46 HD13 LEU 46 3.918 -14.209 -3.637 381 HD21 LEU 46 HD21 LEU 46 3.918 -12.015 -4.794 382 HD22 LEU 46 HD22 LEU 46 3.187 -10.607 -4.022 383 HD23 LEU 46 HD23 LEU 46 2.163 -11.876 -4.694 384 H LYS 47 H LYS 47 2.001 -12.686 1.915 385 HA LYS 47 HA LYS 47 3.362 -12.041 3.605 386 HB2 LYS 47 HB2 LYS 47 4.833 -13.604 2.191 387 HB3 LYS 47 HB3 LYS 47 5.642 -12.138 1.654 388 HG2 LYS 47 HG2 LYS 47 6.973 -12.763 3.397 389 HG3 LYS 47 HG3 LYS 47 5.854 -11.667 4.211 390 HD2 LYS 47 HD2 LYS 47 6.099 -13.642 5.550 391 HD3 LYS 47 HD3 LYS 47 4.482 -13.637 4.845 392 HE2 LYS 47 HE2 LYS 47 5.615 -15.846 4.751 393 HE3 LYS 47 HE3 LYS 47 5.123 -15.225 3.180 394 HZ1 LYS 47 HZ1 LYS 47 7.442 -16.213 3.357 395 HZ2 LYS 47 HZ2 LYS 47 7.875 -14.813 4.210 396 HZ3 LYS 47 HZ3 LYS 47 7.311 -14.698 2.612 397 H VAL 48 H VAL 48 4.892 -10.357 4.414 398 HA VAL 48 HA VAL 48 4.622 -7.827 3.032 399 HB VAL 48 HB VAL 48 6.154 -8.501 5.556 400 HG11 VAL 48 HG11 VAL 48 6.208 -6.087 5.940 401 HG12 VAL 48 HG12 VAL 48 5.430 -5.818 4.380 402 HG13 VAL 48 HG13 VAL 48 7.048 -6.517 4.449 403 HG21 VAL 48 HG21 VAL 48 3.459 -7.202 5.177 404 HG22 VAL 48 HG22 VAL 48 4.292 -7.422 6.715 405 HG23 VAL 48 HG23 VAL 48 3.752 -8.827 5.797 406 H GLU 49 H GLU 49 6.998 -10.336 3.410 407 HA GLU 49 HA GLU 49 9.176 -8.693 2.418 408 HB2 GLU 49 HB2 GLU 49 10.589 -10.575 2.853 409 HB3 GLU 49 HB3 GLU 49 9.475 -10.444 4.208 410 HG2 GLU 49 HG2 GLU 49 8.069 -12.186 3.136 411 HG3 GLU 49 HG3 GLU 49 9.321 -12.378 1.913 412 H ASP 50 H ASP 50 6.843 -10.922 1.207 413 HA ASP 50 HA ASP 50 8.409 -11.609 -1.132 414 HB2 ASP 50 HB2 ASP 50 5.758 -12.517 -0.057 415 HB3 ASP 50 HB3 ASP 50 6.221 -12.886 -1.712 416 H VAL 51 H VAL 51 6.183 -9.200 -0.241 417 HA VAL 51 HA VAL 51 5.283 -8.705 -2.929 418 HB VAL 51 HB VAL 51 4.435 -6.512 -2.011 419 HG11 VAL 51 HG11 VAL 51 2.592 -7.568 -0.776 420 HG12 VAL 51 HG12 VAL 51 3.528 -9.060 -0.674 421 HG13 VAL 51 HG13 VAL 51 3.001 -8.452 -2.244 422 HG21 VAL 51 HG21 VAL 51 5.963 -6.280 -0.120 423 HG22 VAL 51 HG22 VAL 51 5.273 -7.725 0.623 424 HG23 VAL 51 HG23 VAL 51 4.283 -6.279 0.418 425 H LYS 52 H LYS 52 7.203 -8.647 -4.025 426 HA LYS 52 HA LYS 52 9.343 -6.900 -3.413 427 HB2 LYS 52 HB2 LYS 52 8.621 -8.293 -5.993 428 HB3 LYS 52 HB3 LYS 52 10.175 -7.547 -5.645 429 HG2 LYS 52 HG2 LYS 52 10.560 -9.102 -3.841 430 HG3 LYS 52 HG3 LYS 52 8.969 -9.813 -4.077 431 HD2 LYS 52 HD2 LYS 52 9.616 -10.619 -6.266 432 HD3 LYS 52 HD3 LYS 52 11.185 -9.819 -6.123 433 HE2 LYS 52 HE2 LYS 52 11.804 -11.238 -4.288 434 HE3 LYS 52 HE3 LYS 52 10.190 -11.944 -4.231 435 HZ1 LYS 52 HZ1 LYS 52 12.055 -12.193 -6.533 436 HZ2 LYS 52 HZ2 LYS 52 10.561 -12.974 -6.343 437 HZ3 LYS 52 HZ3 LYS 52 11.853 -13.365 -5.322 438 HA PRO 53 HA PRO 53 8.522 -2.855 -4.679 439 HB2 PRO 53 HB2 PRO 53 10.522 -3.282 -6.867 440 HB3 PRO 53 HB3 PRO 53 10.353 -1.921 -5.751 441 HG2 PRO 53 HG2 PRO 53 12.187 -3.795 -5.323 442 HG3 PRO 53 HG3 PRO 53 11.276 -3.089 -3.975 443 HD2 PRO 53 HD2 PRO 53 11.057 -5.781 -5.200 444 HD3 PRO 53 HD3 PRO 53 10.683 -5.256 -3.547 445 H ARG 54 H ARG 54 8.891 -4.938 -7.588 446 HA ARG 54 HA ARG 54 7.510 -3.169 -9.286 447 HB2 ARG 54 HB2 ARG 54 7.415 -4.927 -10.904 448 HB3 ARG 54 HB3 ARG 54 8.966 -5.025 -10.083 449 HG2 ARG 54 HG2 ARG 54 8.469 -7.008 -9.079 450 HG3 ARG 54 HG3 ARG 54 6.733 -6.679 -9.041 451 HD2 ARG 54 HD2 ARG 54 8.323 -7.317 -11.525 452 HD3 ARG 54 HD3 ARG 54 7.343 -8.477 -10.626 453 HE ARG 54 HE ARG 54 5.544 -6.560 -11.158 454 HH11 ARG 54 HH11 ARG 54 7.889 -8.158 -13.236 455 HH12 ARG 54 HH12 ARG 54 6.900 -8.001 -14.666 456 HH21 ARG 54 HH21 ARG 54 4.272 -6.339 -13.033 457 HH22 ARG 54 HH22 ARG 54 4.867 -6.953 -14.553 458 H HIS 55 H HIS 55 6.308 -5.422 -6.954 459 HA HIS 55 HA HIS 55 3.747 -5.896 -8.097 460 HB2 HIS 55 HB2 HIS 55 4.519 -5.861 -5.168 461 HB3 HIS 55 HB3 HIS 55 3.045 -6.551 -5.830 462 HD1 HIS 55 HD1 HIS 55 5.638 -7.499 -8.089 463 HD2 HIS 55 HD2 HIS 55 4.411 -8.772 -4.342 464 HE1 HIS 55 HE1 HIS 55 6.688 -9.762 -7.779 465 HE2 HIS 55 HE2 HIS 55 5.709 -10.622 -5.617 466 H ILE 56 H ILE 56 5.058 -3.450 -5.961 467 HA ILE 56 HA ILE 56 2.635 -2.028 -5.523 468 HB ILE 56 HB ILE 56 5.478 -0.990 -5.430 469 HG12 ILE 56 HG12 ILE 56 5.188 -2.915 -3.947 470 HG13 ILE 56 HG13 ILE 56 5.355 -1.434 -3.008 471 HG21 ILE 56 HG21 ILE 56 3.852 0.807 -5.519 472 HG22 ILE 56 HG22 ILE 56 4.580 0.717 -3.915 473 HG23 ILE 56 HG23 ILE 56 2.953 0.088 -4.183 474 HD11 ILE 56 HD11 ILE 56 3.648 -2.859 -2.064 475 HD12 ILE 56 HD12 ILE 56 2.787 -2.890 -3.603 476 HD13 ILE 56 HD13 ILE 56 2.919 -1.382 -2.697 477 H ASP 57 H ASP 57 5.250 -1.778 -7.878 478 HA ASP 57 HA ASP 57 4.365 0.512 -9.253 479 HB2 ASP 57 HB2 ASP 57 6.583 -0.266 -9.664 480 HB3 ASP 57 HB3 ASP 57 6.010 -1.863 -10.131 481 H ASP 58 H ASP 58 3.620 -2.897 -9.605 482 HA ASP 58 HA ASP 58 2.253 -2.865 -12.016 483 HB2 ASP 58 HB2 ASP 58 2.039 -4.613 -9.584 484 HB3 ASP 58 HB3 ASP 58 0.937 -4.841 -10.938 485 H VAL 59 H VAL 59 0.965 -2.251 -8.751 486 HA VAL 59 HA VAL 59 -1.685 -1.876 -9.829 487 HB VAL 59 HB VAL 59 -1.473 -2.882 -7.628 488 HG11 VAL 59 HG11 VAL 59 0.523 -1.791 -6.818 489 HG12 VAL 59 HG12 VAL 59 -0.796 -1.552 -5.673 490 HG13 VAL 59 HG13 VAL 59 -0.315 -0.241 -6.750 491 HG21 VAL 59 HG21 VAL 59 -2.814 -0.180 -7.577 492 HG22 VAL 59 HG22 VAL 59 -3.109 -1.487 -6.429 493 HG23 VAL 59 HG23 VAL 59 -3.518 -1.700 -8.131 494 H LEU 60 H LEU 60 0.890 0.226 -8.578 495 HA LEU 60 HA LEU 60 -0.609 2.614 -8.587 496 HB2 LEU 60 HB2 LEU 60 2.358 2.186 -8.936 497 HB3 LEU 60 HB3 LEU 60 1.610 3.756 -8.720 498 HG LEU 60 HG LEU 60 1.679 1.504 -6.715 499 HD11 LEU 60 HD11 LEU 60 2.991 3.086 -5.393 500 HD12 LEU 60 HD12 LEU 60 2.908 4.255 -6.709 501 HD13 LEU 60 HD13 LEU 60 3.770 2.734 -6.935 502 HD21 LEU 60 HD21 LEU 60 0.371 4.211 -6.508 503 HD22 LEU 60 HD22 LEU 60 0.528 3.037 -5.201 504 HD23 LEU 60 HD23 LEU 60 -0.465 2.663 -6.611 505 H LYS 61 H LYS 61 1.246 0.976 -11.092 506 HA LYS 61 HA LYS 61 1.177 2.901 -13.097 507 HB2 LYS 61 HB2 LYS 61 2.398 0.712 -13.048 508 HB3 LYS 61 HB3 LYS 61 0.870 -0.092 -13.366 509 HG2 LYS 61 HG2 LYS 61 0.716 1.122 -15.496 510 HG3 LYS 61 HG3 LYS 61 2.302 1.830 -15.173 511 HD2 LYS 61 HD2 LYS 61 1.598 -1.044 -15.676 512 HD3 LYS 61 HD3 LYS 61 2.750 -0.020 -16.519 513 HE2 LYS 61 HE2 LYS 61 4.131 0.059 -14.473 514 HE3 LYS 61 HE3 LYS 61 3.011 -1.064 -13.714 515 HZ1 LYS 61 HZ1 LYS 61 4.847 -2.298 -14.521 516 HZ2 LYS 61 HZ2 LYS 61 4.759 -1.585 -16.055 517 HZ3 LYS 61 HZ3 LYS 61 3.539 -2.646 -15.542 518 H ALA 62 H ALA 62 -1.077 0.229 -12.483 519 HA ALA 62 HA ALA 62 -2.960 0.878 -14.437 520 HB1 ALA 62 HB1 ALA 62 -4.517 -0.519 -13.205 521 HB2 ALA 62 HB2 ALA 62 -3.475 -0.458 -11.783 522 HB3 ALA 62 HB3 ALA 62 -2.918 -1.265 -13.249 523 H VAL 63 H VAL 63 -2.794 1.939 -11.033 524 HA VAL 63 HA VAL 63 -5.317 3.277 -11.186 525 HB VAL 63 HB VAL 63 -4.859 4.159 -8.973 526 HG11 VAL 63 HG11 VAL 63 -5.694 1.887 -9.169 527 HG12 VAL 63 HG12 VAL 63 -4.633 2.051 -7.769 528 HG13 VAL 63 HG13 VAL 63 -4.042 1.275 -9.238 529 HG21 VAL 63 HG21 VAL 63 -2.777 3.649 -7.790 530 HG22 VAL 63 HG22 VAL 63 -2.501 4.689 -9.188 531 HG23 VAL 63 HG23 VAL 63 -2.107 2.972 -9.273 532 H MET 64 H MET 64 -2.061 4.237 -11.925 533 HA MET 64 HA MET 64 -2.623 7.051 -11.770 534 HB2 MET 64 HB2 MET 64 -0.445 7.423 -12.688 535 HB3 MET 64 HB3 MET 64 -0.310 6.099 -11.548 536 HG2 MET 64 HG2 MET 64 -0.231 4.507 -13.340 537 HG3 MET 64 HG3 MET 64 -0.524 5.776 -14.526 538 HE1 MET 64 HE1 MET 64 1.976 4.280 -11.918 539 HE2 MET 64 HE2 MET 64 1.837 5.939 -11.336 540 HE3 MET 64 HE3 MET 64 3.353 5.375 -12.040 541 H LYS 65 H LYS 65 -3.282 4.584 -14.018 542 HA LYS 65 HA LYS 65 -3.620 6.423 -16.264 543 HB2 LYS 65 HB2 LYS 65 -4.483 3.547 -16.155 544 HB3 LYS 65 HB3 LYS 65 -4.157 4.523 -17.574 545 HG2 LYS 65 HG2 LYS 65 -1.808 4.473 -17.132 546 HG3 LYS 65 HG3 LYS 65 -2.083 3.638 -15.596 547 HD2 LYS 65 HD2 LYS 65 -1.474 1.997 -17.207 548 HD3 LYS 65 HD3 LYS 65 -3.185 1.808 -16.878 549 HE2 LYS 65 HE2 LYS 65 -3.725 3.070 -18.892 550 HE3 LYS 65 HE3 LYS 65 -2.011 3.272 -19.232 551 HZ1 LYS 65 HZ1 LYS 65 -2.997 1.489 -20.536 552 HZ2 LYS 65 HZ2 LYS 65 -3.448 0.675 -19.121 553 HZ3 LYS 65 HZ3 LYS 65 -1.805 0.888 -19.490 554 H ARG 66 H ARG 66 -5.636 3.815 -15.081 555 HA ARG 66 HA ARG 66 -8.053 4.898 -15.994 556 HB2 ARG 66 HB2 ARG 66 -9.166 3.165 -14.709 557 HB3 ARG 66 HB3 ARG 66 -7.740 2.517 -15.502 558 HG2 ARG 66 HG2 ARG 66 -6.503 2.676 -13.388 559 HG3 ARG 66 HG3 ARG 66 -7.955 3.291 -12.599 560 HD2 ARG 66 HD2 ARG 66 -7.708 0.605 -13.947 561 HD3 ARG 66 HD3 ARG 66 -7.602 0.886 -12.210 562 HE ARG 66 HE ARG 66 -10.019 1.970 -13.135 563 HH11 ARG 66 HH11 ARG 66 -8.487 -1.149 -12.733 564 HH12 ARG 66 HH12 ARG 66 -9.977 -2.004 -12.478 565 HH21 ARG 66 HH21 ARG 66 -11.987 0.869 -12.819 566 HH22 ARG 66 HH22 ARG 66 -11.990 -0.851 -12.539 567 H GLY 67 H GLY 67 -6.359 5.488 -13.030 568 HA2 GLY 67 HA2 GLY 67 -8.696 6.953 -11.997 569 HA3 GLY 67 HA3 GLY 67 -7.334 6.412 -11.024 570 H ALA 68 H ALA 68 -5.562 7.661 -10.834 571 HA ALA 68 HA ALA 68 -4.967 9.874 -12.516 572 HB1 ALA 68 HB1 ALA 68 -5.382 11.674 -10.916 573 HB2 ALA 68 HB2 ALA 68 -6.098 10.523 -9.788 574 HB3 ALA 68 HB3 ALA 68 -6.884 10.852 -11.333 575 HA PRO 69 HA PRO 69 -0.976 9.099 -10.750 576 HB2 PRO 69 HB2 PRO 69 -0.011 11.713 -10.846 577 HB3 PRO 69 HB3 PRO 69 0.086 10.530 -12.152 578 HG2 PRO 69 HG2 PRO 69 -1.853 12.753 -11.744 579 HG3 PRO 69 HG3 PRO 69 -1.150 12.133 -13.249 580 HD2 PRO 69 HD2 PRO 69 -3.676 11.555 -12.532 581 HD3 PRO 69 HD3 PRO 69 -2.652 10.373 -13.377 582 H SER 70 H SER 70 -2.914 11.797 -9.565 583 HA SER 70 HA SER 70 -1.542 12.297 -7.175 584 HB2 SER 70 HB2 SER 70 -3.777 13.231 -6.415 585 HB3 SER 70 HB3 SER 70 -3.164 13.886 -7.935 586 HG SER 70 HG SER 70 -5.449 12.510 -7.449 587 H ILE 71 H ILE 71 -4.060 9.964 -7.988 588 HA ILE 71 HA ILE 71 -4.534 9.045 -5.347 589 HB ILE 71 HB ILE 71 -4.916 7.554 -7.953 590 HG12 ILE 71 HG12 ILE 71 -6.871 9.228 -6.358 591 HG13 ILE 71 HG13 ILE 71 -6.132 9.701 -7.884 592 HG21 ILE 71 HG21 ILE 71 -4.921 6.058 -6.034 593 HG22 ILE 71 HG22 ILE 71 -6.548 6.213 -6.697 594 HG23 ILE 71 HG23 ILE 71 -6.111 7.075 -5.223 595 HD11 ILE 71 HD11 ILE 71 -8.401 8.927 -8.218 596 HD12 ILE 71 HD12 ILE 71 -8.003 7.383 -7.465 597 HD13 ILE 71 HD13 ILE 71 -7.253 7.835 -8.996 598 H ALA 72 H ALA 72 -2.357 8.039 -7.931 599 HA ALA 72 HA ALA 72 -1.315 5.730 -6.726 600 HB1 ALA 72 HB1 ALA 72 -0.987 6.258 -9.088 601 HB2 ALA 72 HB2 ALA 72 0.553 5.970 -8.281 602 HB3 ALA 72 HB3 ALA 72 0.045 7.618 -8.650 603 H ASN 73 H ASN 73 -0.285 9.126 -6.532 604 HA ASN 73 HA ASN 73 2.022 8.550 -4.923 605 HB2 ASN 73 HB2 ASN 73 0.571 11.126 -5.545 606 HB3 ASN 73 HB3 ASN 73 1.991 11.057 -4.511 607 HD21 ASN 73 HD21 ASN 73 1.477 9.105 -7.388 608 HD22 ASN 73 HD22 ASN 73 2.737 9.826 -8.313 609 H ASP 74 H ASP 74 -1.241 9.662 -4.322 610 HA ASP 74 HA ASP 74 -0.949 10.291 -1.594 611 HB2 ASP 74 HB2 ASP 74 -2.847 11.006 -3.055 612 HB3 ASP 74 HB3 ASP 74 -3.469 9.361 -2.980 613 H THR 75 H THR 75 -2.009 7.305 -3.192 614 HA THR 75 HA THR 75 -2.462 5.860 -0.793 615 HB THR 75 HB THR 75 -1.758 4.717 -3.504 616 HG1 THR 75 HG1 THR 75 -3.532 5.848 -3.979 617 HG21 THR 75 HG21 THR 75 -3.358 3.582 -1.205 618 HG22 THR 75 HG22 THR 75 -1.733 3.084 -1.675 619 HG23 THR 75 HG23 THR 75 -3.092 2.799 -2.763 620 H LEU 76 H LEU 76 0.342 6.422 -2.808 621 HA LEU 76 HA LEU 76 2.069 4.452 -1.791 622 HB2 LEU 76 HB2 LEU 76 2.371 5.920 -3.841 623 HB3 LEU 76 HB3 LEU 76 2.850 7.203 -2.753 624 HG LEU 76 HG LEU 76 4.709 5.962 -3.907 625 HD11 LEU 76 HD11 LEU 76 5.154 7.337 -1.973 626 HD12 LEU 76 HD12 LEU 76 6.153 5.884 -1.933 627 HD13 LEU 76 HD13 LEU 76 4.729 6.003 -0.899 628 HD21 LEU 76 HD21 LEU 76 3.824 3.717 -3.749 629 HD22 LEU 76 HD22 LEU 76 3.901 3.786 -1.988 630 HD23 LEU 76 HD23 LEU 76 5.387 3.811 -2.939 631 H ARG 77 H ARG 77 1.340 7.730 -0.763 632 HA ARG 77 HA ARG 77 3.126 8.213 1.250 633 HB2 ARG 77 HB2 ARG 77 0.156 8.759 1.293 634 HB3 ARG 77 HB3 ARG 77 1.317 9.478 2.396 635 HG2 ARG 77 HG2 ARG 77 2.386 10.648 0.593 636 HG3 ARG 77 HG3 ARG 77 1.368 9.826 -0.593 637 HD2 ARG 77 HD2 ARG 77 -0.595 10.905 0.249 638 HD3 ARG 77 HD3 ARG 77 0.296 11.576 1.613 639 HE ARG 77 HE ARG 77 1.347 12.417 -0.919 640 HH11 ARG 77 HH11 ARG 77 -1.213 13.015 1.399 641 HH12 ARG 77 HH12 ARG 77 -1.324 14.711 1.022 642 HH21 ARG 77 HH21 ARG 77 1.177 14.632 -1.436 643 HH22 ARG 77 HH22 ARG 77 0.027 15.624 -0.592 644 H TRP 78 H TRP 78 0.167 6.283 1.490 645 HA TRP 78 HA TRP 78 0.535 5.692 4.260 646 HB2 TRP 78 HB2 TRP 78 -1.269 4.369 2.219 647 HB3 TRP 78 HB3 TRP 78 -1.369 4.168 3.966 648 HD1 TRP 78 HD1 TRP 78 -2.694 6.258 1.211 649 HE1 TRP 78 HE1 TRP 78 -4.019 8.262 2.152 650 HE3 TRP 78 HE3 TRP 78 -1.245 5.956 6.108 651 HZ2 TRP 78 HZ2 TRP 78 -4.394 9.536 4.644 652 HZ3 TRP 78 HZ3 TRP 78 -2.129 7.607 7.705 653 HH2 TRP 78 HH2 TRP 78 -3.671 9.359 6.986 654 H LEU 79 H LEU 79 1.186 4.013 1.226 655 HA LEU 79 HA LEU 79 1.915 1.515 2.249 656 HB2 LEU 79 HB2 LEU 79 3.024 2.953 -0.163 657 HB3 LEU 79 HB3 LEU 79 3.201 1.241 0.163 658 HG LEU 79 HG LEU 79 0.568 2.637 -0.317 659 HD11 LEU 79 HD11 LEU 79 0.575 1.489 -2.468 660 HD12 LEU 79 HD12 LEU 79 2.187 0.857 -2.133 661 HD13 LEU 79 HD13 LEU 79 1.942 2.593 -2.332 662 HD21 LEU 79 HD21 LEU 79 -0.323 0.364 -0.489 663 HD22 LEU 79 HD22 LEU 79 0.350 0.683 1.110 664 HD23 LEU 79 HD23 LEU 79 1.256 -0.284 -0.054 665 H LYS 80 H LYS 80 3.852 4.408 1.667 666 HA LYS 80 HA LYS 80 6.390 3.586 2.249 667 HB2 LYS 80 HB2 LYS 80 5.711 5.846 1.519 668 HB3 LYS 80 HB3 LYS 80 5.043 6.148 3.116 669 HG2 LYS 80 HG2 LYS 80 7.121 7.211 3.094 670 HG3 LYS 80 HG3 LYS 80 7.369 5.724 4.013 671 HD2 LYS 80 HD2 LYS 80 9.187 6.106 2.444 672 HD3 LYS 80 HD3 LYS 80 8.294 4.649 2.021 673 HE2 LYS 80 HE2 LYS 80 7.214 5.708 0.223 674 HE3 LYS 80 HE3 LYS 80 7.671 7.310 0.793 675 HZ1 LYS 80 HZ1 LYS 80 9.559 5.259 -0.239 676 HZ2 LYS 80 HZ2 LYS 80 9.959 6.841 0.228 677 HZ3 LYS 80 HZ3 LYS 80 8.979 6.576 -1.127 678 H ARG 81 H ARG 81 4.159 5.035 4.562 679 HA ARG 81 HA ARG 81 5.734 4.524 6.846 680 HB2 ARG 81 HB2 ARG 81 2.765 5.045 6.681 681 HB3 ARG 81 HB3 ARG 81 3.762 5.211 8.119 682 HG2 ARG 81 HG2 ARG 81 4.994 7.023 7.094 683 HG3 ARG 81 HG3 ARG 81 4.076 6.827 5.599 684 HD2 ARG 81 HD2 ARG 81 2.017 7.380 6.792 685 HD3 ARG 81 HD3 ARG 81 2.930 7.560 8.286 686 HE ARG 81 HE ARG 81 3.856 9.238 6.129 687 HH11 ARG 81 HH11 ARG 81 1.641 8.982 8.832 688 HH12 ARG 81 HH12 ARG 81 1.460 10.695 9.005 689 HH21 ARG 81 HH21 ARG 81 3.618 11.480 6.352 690 HH22 ARG 81 HH22 ARG 81 2.580 12.130 7.590 691 H MET 82 H MET 82 3.002 2.796 5.423 692 HA MET 82 HA MET 82 2.523 0.995 7.497 693 HB2 MET 82 HB2 MET 82 0.950 1.300 5.682 694 HB3 MET 82 HB3 MET 82 2.108 0.662 4.526 695 HG2 MET 82 HG2 MET 82 1.467 -1.138 6.751 696 HG3 MET 82 HG3 MET 82 0.119 -0.768 5.677 697 HE1 MET 82 HE1 MET 82 1.491 -1.924 2.206 698 HE2 MET 82 HE2 MET 82 1.502 -0.308 2.913 699 HE3 MET 82 HE3 MET 82 0.079 -1.336 3.084 700 H PHE 83 H PHE 83 4.699 0.665 4.700 701 HA PHE 83 HA PHE 83 5.551 -1.954 5.430 702 HB2 PHE 83 HB2 PHE 83 6.611 0.095 3.507 703 HB3 PHE 83 HB3 PHE 83 7.494 -1.395 3.826 704 HD1 PHE 83 HD2 PHE 83 5.938 -3.566 3.709 705 HD2 PHE 83 HD1 PHE 83 5.208 0.109 1.693 706 HE1 PHE 83 HE2 PHE 83 4.550 -4.752 2.060 707 HE2 PHE 83 HE1 PHE 83 3.821 -1.070 0.038 708 HZ PHE 83 HZ PHE 83 3.492 -3.505 0.220 709 H ASN 84 H ASN 84 6.526 1.229 6.389 710 HA ASN 84 HA ASN 84 9.096 0.585 7.402 711 HB2 ASN 84 HB2 ASN 84 8.367 2.910 7.025 712 HB3 ASN 84 HB3 ASN 84 7.168 2.741 8.304 713 HD21 ASN 84 HD21 ASN 84 7.976 4.300 9.628 714 HD22 ASN 84 HD22 ASN 84 9.495 4.171 10.439 715 H TYR 85 H TYR 85 5.854 0.401 8.704 716 HA TYR 85 HA TYR 85 6.490 -0.184 11.383 717 HB2 TYR 85 HB2 TYR 85 4.246 0.480 10.658 718 HB3 TYR 85 HB3 TYR 85 4.097 -0.990 9.709 719 HD1 TYR 85 HD2 TYR 85 5.394 -0.647 13.185 720 HD2 TYR 85 HD1 TYR 85 2.255 -2.036 10.673 721 HE1 TYR 85 HE2 TYR 85 4.370 -1.792 15.105 722 HE2 TYR 85 HE1 TYR 85 1.224 -3.182 12.585 723 HH TYR 85 HH TYR 85 1.612 -3.940 14.697 724 H ALA 86 H ALA 86 6.282 -2.184 8.501 725 HA ALA 86 HA ALA 86 6.565 -4.683 9.818 726 HB1 ALA 86 HB1 ALA 86 7.106 -5.577 7.629 727 HB2 ALA 86 HB2 ALA 86 7.337 -3.946 6.999 728 HB3 ALA 86 HB3 ALA 86 5.735 -4.474 7.515 729 H ILE 87 H ILE 87 8.819 -2.272 8.623 730 HA ILE 87 HA ILE 87 11.183 -3.815 8.862 731 HB ILE 87 HB ILE 87 10.834 -0.811 8.956 732 HG12 ILE 87 HG12 ILE 87 11.660 -2.630 6.682 733 HG13 ILE 87 HG13 ILE 87 10.056 -1.928 6.868 734 HG21 ILE 87 HG21 ILE 87 13.220 -0.708 8.397 735 HG22 ILE 87 HG22 ILE 87 13.324 -2.463 8.535 736 HG23 ILE 87 HG23 ILE 87 12.951 -1.487 9.956 737 HD11 ILE 87 HD11 ILE 87 11.386 -0.699 5.251 738 HD12 ILE 87 HD12 ILE 87 12.620 -0.399 6.476 739 HD13 ILE 87 HD13 ILE 87 11.013 0.305 6.653 740 H LYS 88 H LYS 88 9.595 -1.504 11.059 741 HA LYS 88 HA LYS 88 11.568 -1.715 13.085 742 HB2 LYS 88 HB2 LYS 88 9.929 -0.601 14.549 743 HB3 LYS 88 HB3 LYS 88 10.130 0.223 13.010 744 HG2 LYS 88 HG2 LYS 88 8.060 -0.757 12.203 745 HG3 LYS 88 HG3 LYS 88 7.865 -1.617 13.732 746 HD2 LYS 88 HD2 LYS 88 8.002 1.382 13.438 747 HD3 LYS 88 HD3 LYS 88 6.514 0.448 13.601 748 HE2 LYS 88 HE2 LYS 88 7.191 -0.329 15.783 749 HE3 LYS 88 HE3 LYS 88 8.754 0.473 15.620 750 HZ1 LYS 88 HZ1 LYS 88 7.337 1.804 16.972 751 HZ2 LYS 88 HZ2 LYS 88 6.092 1.772 15.822 752 HZ3 LYS 88 HZ3 LYS 88 7.534 2.603 15.488 753 H ARG 89 H ARG 89 8.890 -3.705 12.217 754 HA ARG 89 HA ARG 89 9.093 -5.227 14.698 755 HB2 ARG 89 HB2 ARG 89 7.195 -5.148 12.426 756 HB3 ARG 89 HB3 ARG 89 7.399 -6.697 13.236 757 HG2 ARG 89 HG2 ARG 89 6.681 -4.112 14.598 758 HG3 ARG 89 HG3 ARG 89 5.552 -5.394 14.159 759 HD2 ARG 89 HD2 ARG 89 6.688 -6.955 15.611 760 HD3 ARG 89 HD3 ARG 89 7.930 -5.760 15.972 761 HE ARG 89 HE ARG 89 5.476 -4.660 16.714 762 HH11 ARG 89 HH11 ARG 89 7.501 -7.383 17.621 763 HH12 ARG 89 HH12 ARG 89 7.011 -7.349 19.285 764 HH21 ARG 89 HH21 ARG 89 4.840 -4.629 18.912 765 HH22 ARG 89 HH22 ARG 89 5.506 -5.799 20.014 766 H HIS 90 H HIS 90 10.693 -5.001 11.887 767 HA HIS 90 HA HIS 90 12.480 -6.122 11.079 768 HB2 HIS 90 HB2 HIS 90 12.042 -8.029 13.383 769 HB3 HIS 90 HB3 HIS 90 13.479 -7.958 12.367 770 HD1 HIS 90 HD1 HIS 90 12.751 -7.159 15.595 771 HD2 HIS 90 HD2 HIS 90 14.188 -4.835 12.458 772 HE1 HIS 90 HE1 HIS 90 13.870 -5.178 16.671 773 HE2 HIS 90 HE2 HIS 90 14.498 -3.671 14.749 774 H ILE 91 H ILE 91 9.611 -6.829 10.461 775 HA ILE 91 HA ILE 91 9.621 -9.539 9.568 776 HB ILE 91 HB ILE 91 8.006 -7.170 8.586 777 HG12 ILE 91 HG12 ILE 91 7.278 -9.388 10.515 778 HG13 ILE 91 HG13 ILE 91 7.652 -7.728 10.963 779 HG21 ILE 91 HG21 ILE 91 6.494 -8.802 7.596 780 HG22 ILE 91 HG22 ILE 91 7.554 -10.113 8.112 781 HG23 ILE 91 HG23 ILE 91 8.112 -8.945 6.912 782 HD11 ILE 91 HD11 ILE 91 5.700 -6.947 9.741 783 HD12 ILE 91 HD12 ILE 91 5.257 -8.141 10.960 784 HD13 ILE 91 HD13 ILE 91 5.333 -8.603 9.261 785 H ILE 92 H ILE 92 10.495 -6.437 8.206 786 HA ILE 92 HA ILE 92 12.075 -7.806 6.154 787 HB ILE 92 HB ILE 92 11.565 -5.957 4.559 788 HG12 ILE 92 HG12 ILE 92 9.360 -5.305 6.529 789 HG13 ILE 92 HG13 ILE 92 10.772 -4.304 6.204 790 HG21 ILE 92 HG21 ILE 92 9.378 -6.818 3.869 791 HG22 ILE 92 HG22 ILE 92 9.204 -7.610 5.435 792 HG23 ILE 92 HG23 ILE 92 10.481 -8.113 4.329 793 HD11 ILE 92 HD11 ILE 92 10.018 -3.981 3.909 794 HD12 ILE 92 HD12 ILE 92 8.797 -3.459 5.071 795 HD13 ILE 92 HD13 ILE 92 8.610 -4.996 4.226 796 H GLU 93 H GLU 93 13.785 -6.331 5.277 797 HA GLU 93 HA GLU 93 14.828 -4.627 7.436 798 HB2 GLU 93 HB2 GLU 93 16.249 -5.750 5.011 799 HB3 GLU 93 HB3 GLU 93 16.998 -4.894 6.352 800 HG2 GLU 93 HG2 GLU 93 16.471 -6.684 7.861 801 HG3 GLU 93 HG3 GLU 93 15.551 -7.517 6.606 802 H TYR 94 H TYR 94 14.332 -4.762 3.947 803 HA TYR 94 HA TYR 94 14.164 -1.824 3.916 804 HB2 TYR 94 HB2 TYR 94 15.299 -3.594 1.734 805 HB3 TYR 94 HB3 TYR 94 15.090 -1.850 1.627 806 HD1 TYR 94 HD2 TYR 94 16.293 -0.486 3.556 807 HD2 TYR 94 HD1 TYR 94 17.360 -4.420 2.341 808 HE1 TYR 94 HE2 TYR 94 18.538 -0.162 4.505 809 HE2 TYR 94 HE1 TYR 94 19.609 -4.110 3.284 810 HH TYR 94 HH TYR 94 21.136 -2.172 3.814 811 H ASN 95 H ASN 95 12.408 -0.990 2.860 812 HA ASN 95 HA ASN 95 10.330 -2.943 2.287 813 HB2 ASN 95 HB2 ASN 95 8.770 -1.065 2.462 814 HB3 ASN 95 HB3 ASN 95 9.819 -1.137 3.871 815 HD21 ASN 95 HD21 ASN 95 8.294 1.087 2.826 816 HD22 ASN 95 HD22 ASN 95 9.429 2.347 2.508 817 HA PRO 96 HA PRO 96 10.416 -2.509 -2.124 818 HB2 PRO 96 HB2 PRO 96 7.695 -2.671 -2.596 819 HB3 PRO 96 HB3 PRO 96 8.759 -4.066 -2.367 820 HG2 PRO 96 HG2 PRO 96 6.956 -2.704 -0.405 821 HG3 PRO 96 HG3 PRO 96 7.271 -4.436 -0.628 822 HD2 PRO 96 HD2 PRO 96 8.396 -3.060 1.376 823 HD3 PRO 96 HD3 PRO 96 9.278 -4.348 0.531 824 H ALA 97 H ALA 97 8.498 -0.467 -0.082 825 HA ALA 97 HA ALA 97 7.881 1.435 -2.175 826 HB1 ALA 97 HB1 ALA 97 6.256 0.976 -0.399 827 HB2 ALA 97 HB2 ALA 97 6.726 2.675 -0.431 828 HB3 ALA 97 HB3 ALA 97 7.393 1.600 0.797 829 H ALA 98 H ALA 98 10.712 0.802 -1.131 830 HA ALA 98 HA ALA 98 11.640 3.293 -0.063 831 HB1 ALA 98 HB1 ALA 98 12.816 1.183 0.366 832 HB2 ALA 98 HB2 ALA 98 13.871 2.383 -0.380 833 HB3 ALA 98 HB3 ALA 98 13.214 1.064 -1.349 834 H ALA 99 H ALA 99 11.699 1.754 -3.259 835 HA ALA 99 HA ALA 99 13.040 3.963 -4.503 836 HB1 ALA 99 HB1 ALA 99 13.307 1.690 -5.347 837 HB2 ALA 99 HB2 ALA 99 12.641 2.749 -6.592 838 HB3 ALA 99 HB3 ALA 99 11.589 1.623 -5.735 839 H PHE 100 H PHE 100 9.755 3.044 -3.920 840 HA PHE 100 HA PHE 100 8.703 4.990 -5.797 841 HB2 PHE 100 HB2 PHE 100 7.286 3.169 -3.838 842 HB3 PHE 100 HB3 PHE 100 6.495 4.187 -5.040 843 HD1 PHE 100 HD1 PHE 100 6.720 3.681 -7.432 844 HD2 PHE 100 HD2 PHE 100 8.326 1.119 -4.442 845 HE1 PHE 100 HE1 PHE 100 6.939 1.885 -9.096 846 HE2 PHE 100 HE2 PHE 100 8.540 -0.686 -6.098 847 HZ PHE 100 HZ PHE 100 7.848 -0.303 -8.430 848 H ASP 101 H ASP 101 8.499 7.029 -5.279 849 HA ASP 101 HA ASP 101 7.850 7.779 -2.526 850 HB2 ASP 101 HB2 ASP 101 10.348 7.746 -2.775 851 HB3 ASP 101 HB3 ASP 101 10.191 8.976 -4.025 852 HA PRO 102 HA PRO 102 5.244 10.519 -4.819 853 HB2 PRO 102 HB2 PRO 102 4.356 12.077 -2.808 854 HB3 PRO 102 HB3 PRO 102 3.859 10.390 -2.981 855 HG2 PRO 102 HG2 PRO 102 5.955 11.570 -1.196 856 HG3 PRO 102 HG3 PRO 102 4.718 10.356 -0.815 857 HD2 PRO 102 HD2 PRO 102 7.303 9.715 -1.368 858 HD3 PRO 102 HD3 PRO 102 5.941 8.641 -1.747 859 H GLY 103 H GLY 103 8.155 11.483 -3.395 860 HA2 GLY 103 HA2 GLY 103 9.416 13.134 -4.679 861 HA3 GLY 103 HA3 GLY 103 7.941 14.085 -4.773 862 H ASP 104 H ASP 104 7.039 14.800 -2.642 863 HA ASP 104 HA ASP 104 9.053 15.118 -0.557 864 HB2 ASP 104 HB2 ASP 104 9.430 17.106 -1.835 865 HB3 ASP 104 HB3 ASP 104 7.700 17.421 -1.967 866 H ALA 105 H ALA 105 8.183 14.614 1.289 867 HA ALA 105 HA ALA 105 5.429 15.491 1.863 868 HB1 ALA 105 HB1 ALA 105 5.447 13.063 1.506 869 HB2 ALA 105 HB2 ALA 105 5.083 13.461 3.186 870 HB3 ALA 105 HB3 ALA 105 6.691 12.889 2.742 871 H GLY 106 H GLY 106 5.065 15.607 4.301 872 HA2 GLY 106 HA2 GLY 106 7.073 17.273 5.426 873 HA3 GLY 106 HA3 GLY 106 5.633 16.690 6.248 874 H GLY 107 H GLY 107 8.269 16.956 7.358 875 HA2 GLY 107 HA2 GLY 107 8.931 14.111 7.844 876 HA3 GLY 107 HA3 GLY 107 10.128 15.403 7.849 877 H LYS 108 H LYS 108 7.011 15.970 9.173 878 HA LYS 108 HA LYS 108 8.134 16.548 11.755 879 HB2 LYS 108 HB2 LYS 108 5.371 16.759 10.594 880 HB3 LYS 108 HB3 LYS 108 5.685 17.054 12.298 881 HG2 LYS 108 HG2 LYS 108 7.280 18.817 11.666 882 HG3 LYS 108 HG3 LYS 108 6.860 18.552 9.972 883 HD2 LYS 108 HD2 LYS 108 4.874 19.291 12.112 884 HD3 LYS 108 HD3 LYS 108 5.665 20.453 11.053 885 HE2 LYS 108 HE2 LYS 108 4.724 19.221 9.103 886 HE3 LYS 108 HE3 LYS 108 3.836 18.202 10.237 887 HZ1 LYS 108 HZ1 LYS 108 2.427 19.956 9.428 888 HZ2 LYS 108 HZ2 LYS 108 3.541 21.142 9.912 889 HZ3 LYS 108 HZ3 LYS 108 2.734 20.209 11.077 890 H LEU 109 H LEU 109 5.943 15.925 13.365 891 HA LEU 109 HA LEU 109 6.264 12.998 13.570 892 HB2 LEU 109 HB2 LEU 109 5.791 14.950 15.823 893 HB3 LEU 109 HB3 LEU 109 6.127 13.236 15.974 894 HG LEU 109 HG LEU 109 8.058 15.336 14.981 895 HD11 LEU 109 HD11 LEU 109 7.651 15.491 17.365 896 HD12 LEU 109 HD12 LEU 109 9.264 14.845 17.058 897 HD13 LEU 109 HD13 LEU 109 7.960 13.764 17.549 898 HD21 LEU 109 HD21 LEU 109 8.428 13.205 13.868 899 HD22 LEU 109 HD22 LEU 109 8.440 12.377 15.425 900 HD23 LEU 109 HD23 LEU 109 9.715 13.530 15.030 901 H GLU 110 H GLU 110 4.442 11.766 13.844 902 HA GLU 110 HA GLU 110 1.891 12.934 13.416 903 HB2 GLU 110 HB2 GLU 110 1.166 10.528 14.275 904 HB3 GLU 110 HB3 GLU 110 1.836 10.774 12.674 905 HG2 GLU 110 HG2 GLU 110 2.891 8.860 13.544 906 HG3 GLU 110 HG3 GLU 110 4.079 10.157 13.636 907 H HIS 111 H HIS 111 3.595 11.782 16.255 908 HA HIS 111 HA HIS 111 3.418 12.233 18.456 909 HB2 HIS 111 HB2 HIS 111 3.450 14.580 17.622 910 HB3 HIS 111 HB3 HIS 111 1.690 14.567 17.613 911 HD1 HIS 111 HD1 HIS 111 0.954 15.975 19.520 912 HD2 HIS 111 HD2 HIS 111 4.170 13.523 20.519 913 HE1 HIS 111 HE1 HIS 111 1.377 16.362 21.976 914 HE2 HIS 111 HE2 HIS 111 3.355 14.904 22.550 915 H HIS 112 H HIS 112 2.274 10.323 18.860 916 HA HIS 112 HA HIS 112 -0.626 10.615 19.189 917 HB2 HIS 112 HB2 HIS 112 -0.672 8.168 19.540 918 HB3 HIS 112 HB3 HIS 112 0.010 8.617 17.985 919 HD1 HIS 112 HD1 HIS 112 2.494 8.091 17.578 920 HD2 HIS 112 HD2 HIS 112 1.079 6.874 21.299 921 HE1 HIS 112 HE1 HIS 112 4.230 6.513 18.484 922 HE2 HIS 112 HE2 HIS 112 3.221 5.596 20.605 923 H HIS 113 H HIS 113 -1.606 9.716 21.183 924 HA HIS 113 HA HIS 113 -0.103 10.811 23.438 925 HB2 HIS 113 HB2 HIS 113 -2.993 10.490 22.795 926 HB3 HIS 113 HB3 HIS 113 -2.518 10.527 24.490 927 HD1 HIS 113 HD1 HIS 113 -2.268 12.757 25.499 928 HD2 HIS 113 HD2 HIS 113 -2.092 12.904 21.348 929 HE1 HIS 113 HE1 HIS 113 -2.161 15.198 24.912 930 HE2 HIS 113 HE2 HIS 113 -1.827 15.249 22.416 931 H HIS 114 H HIS 114 -1.355 9.722 25.561 932 HA HIS 114 HA HIS 114 0.045 7.289 25.917 933 HB2 HIS 114 HB2 HIS 114 -0.487 8.951 27.711 934 HB3 HIS 114 HB3 HIS 114 -2.172 8.459 27.618 935 HD1 HIS 114 HD1 HIS 114 0.935 7.740 29.335 936 HD2 HIS 114 HD2 HIS 114 -2.545 5.645 28.423 937 HE1 HIS 114 HE1 HIS 114 0.893 5.773 30.903 938 HE2 HIS 114 HE2 HIS 114 -1.283 4.591 30.424 939 H HIS 115 H HIS 115 -0.657 5.805 24.382 940 HA HIS 115 HA HIS 115 -1.878 4.089 23.527 941 HB2 HIS 115 HB2 HIS 115 -1.799 3.415 25.934 942 HB3 HIS 115 HB3 HIS 115 -3.347 4.212 26.173 943 HD1 HIS 115 HD1 HIS 115 -4.507 2.033 26.856 944 HD2 HIS 115 HD2 HIS 115 -2.823 1.901 23.055 945 HE1 HIS 115 HE1 HIS 115 -5.449 -0.028 25.769 946 HE2 HIS 115 HE2 HIS 115 -4.562 0.014 23.410 947 H HIS 116 H HIS 116 -2.755 6.842 23.085 948 HA HIS 116 HA HIS 116 -5.404 6.268 22.064 949 HB2 HIS 116 HB2 HIS 116 -5.800 7.116 24.379 950 HB3 HIS 116 HB3 HIS 116 -4.968 8.603 23.946 951 HD1 HIS 116 HD1 HIS 116 -7.158 9.922 24.495 952 HD2 HIS 116 HD2 HIS 116 -7.510 7.205 21.358 953 HE1 HIS 116 HE1 HIS 116 -9.305 10.512 23.319 954 HE2 HIS 116 HE2 HIS 116 -9.548 8.804 21.481 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -4.572 -15.211 11.306 2 H2 MET 1 H2 MET 1 -4.171 -16.175 12.640 3 H3 MET 1 H3 MET 1 -5.749 -16.201 12.025 4 HA MET 1 HA MET 1 -4.426 -18.163 11.418 5 HB2 MET 1 HB2 MET 1 -6.353 -17.413 10.070 6 HB3 MET 1 HB3 MET 1 -5.282 -16.394 9.119 7 HG2 MET 1 HG2 MET 1 -4.074 -18.395 8.368 8 HG3 MET 1 HG3 MET 1 -5.188 -19.396 9.295 9 HE1 MET 1 HE1 MET 1 -8.582 -18.770 7.455 10 HE2 MET 1 HE2 MET 1 -7.953 -17.898 8.851 11 HE3 MET 1 HE3 MET 1 -7.767 -19.649 8.749 12 H ALA 2 H ALA 2 -3.378 -15.251 9.614 13 HA ALA 2 HA ALA 2 -1.057 -16.624 8.611 14 HB1 ALA 2 HB1 ALA 2 -2.236 -14.978 7.248 15 HB2 ALA 2 HB2 ALA 2 -0.551 -14.516 7.492 16 HB3 ALA 2 HB3 ALA 2 -1.827 -13.718 8.411 17 H GLU 3 H GLU 3 -1.728 -15.115 11.512 18 HA GLU 3 HA GLU 3 0.793 -13.841 11.982 19 HB2 GLU 3 HB2 GLU 3 -1.189 -14.743 14.073 20 HB3 GLU 3 HB3 GLU 3 0.026 -13.485 14.227 21 HG2 GLU 3 HG2 GLU 3 -1.813 -12.201 13.912 22 HG3 GLU 3 HG3 GLU 3 -1.324 -12.418 12.232 23 H LYS 4 H LYS 4 0.859 -16.695 11.182 24 HA LYS 4 HA LYS 4 1.617 -18.246 13.462 25 HB2 LYS 4 HB2 LYS 4 2.349 -19.911 11.792 26 HB3 LYS 4 HB3 LYS 4 0.723 -19.328 11.471 27 HG2 LYS 4 HG2 LYS 4 1.597 -17.834 9.743 28 HG3 LYS 4 HG3 LYS 4 3.227 -18.428 10.061 29 HD2 LYS 4 HD2 LYS 4 2.487 -20.700 9.438 30 HD3 LYS 4 HD3 LYS 4 0.889 -20.052 9.056 31 HE2 LYS 4 HE2 LYS 4 1.879 -18.608 7.349 32 HE3 LYS 4 HE3 LYS 4 3.479 -19.242 7.736 33 HZ1 LYS 4 HZ1 LYS 4 2.711 -21.443 7.055 34 HZ2 LYS 4 HZ2 LYS 4 2.576 -20.321 5.790 35 HZ3 LYS 4 HZ3 LYS 4 1.194 -20.803 6.647 36 H ASN 5 H ASN 5 3.232 -16.182 11.186 37 HA ASN 5 HA ASN 5 5.563 -15.940 12.783 38 HB2 ASN 5 HB2 ASN 5 6.132 -18.124 11.844 39 HB3 ASN 5 HB3 ASN 5 5.840 -17.528 10.215 40 HD21 ASN 5 HD21 ASN 5 7.985 -17.439 12.959 41 HD22 ASN 5 HD22 ASN 5 9.336 -16.754 12.126 42 H ALA 6 H ALA 6 4.974 -15.916 9.277 43 HA ALA 6 HA ALA 6 5.311 -12.993 9.330 44 HB1 ALA 6 HB1 ALA 6 7.269 -14.072 8.323 45 HB2 ALA 6 HB2 ALA 6 6.374 -13.121 7.138 46 HB3 ALA 6 HB3 ALA 6 6.222 -14.877 7.153 47 H TYR 7 H TYR 7 3.378 -12.150 9.012 48 HA TYR 7 HA TYR 7 1.292 -13.596 7.665 49 HB2 TYR 7 HB2 TYR 7 -0.053 -11.514 8.192 50 HB3 TYR 7 HB3 TYR 7 0.595 -12.389 9.573 51 HD1 TYR 7 HD1 TYR 7 0.825 -9.323 7.573 52 HD2 TYR 7 HD2 TYR 7 2.308 -11.410 10.970 53 HE1 TYR 7 HE1 TYR 7 1.855 -7.247 8.394 54 HE2 TYR 7 HE2 TYR 7 3.343 -9.342 11.797 55 HH TYR 7 HH TYR 7 2.598 -6.293 10.558 56 H THR 8 H THR 8 -0.158 -11.656 6.391 57 HA THR 8 HA THR 8 1.521 -11.257 4.016 58 HB THR 8 HB THR 8 -0.602 -11.288 2.741 59 HG1 THR 8 HG1 THR 8 -2.417 -12.245 4.137 60 HG21 THR 8 HG21 THR 8 -1.080 -13.680 3.021 61 HG22 THR 8 HG22 THR 8 -0.212 -13.672 4.555 62 HG23 THR 8 HG23 THR 8 0.656 -13.366 3.051 63 H VAL 9 H VAL 9 1.127 -9.371 2.699 64 HA VAL 9 HA VAL 9 1.128 -6.958 4.071 65 HB VAL 9 HB VAL 9 2.066 -7.199 1.831 66 HG11 VAL 9 HG11 VAL 9 0.436 -8.667 0.823 67 HG12 VAL 9 HG12 VAL 9 0.615 -7.210 -0.155 68 HG13 VAL 9 HG13 VAL 9 -0.790 -7.402 0.896 69 HG21 VAL 9 HG21 VAL 9 -0.112 -5.119 1.936 70 HG22 VAL 9 HG22 VAL 9 1.279 -5.100 0.851 71 HG23 VAL 9 HG23 VAL 9 1.517 -4.959 2.593 72 H ALA 10 H ALA 10 -1.559 -8.794 2.785 73 HA ALA 10 HA ALA 10 -3.517 -6.772 2.815 74 HB1 ALA 10 HB1 ALA 10 -5.146 -8.602 2.847 75 HB2 ALA 10 HB2 ALA 10 -3.850 -9.741 3.207 76 HB3 ALA 10 HB3 ALA 10 -3.865 -8.883 1.668 77 H GLN 11 H GLN 11 -2.374 -9.005 5.307 78 HA GLN 11 HA GLN 11 -4.318 -8.167 7.240 79 HB2 GLN 11 HB2 GLN 11 -3.248 -10.402 7.353 80 HB3 GLN 11 HB3 GLN 11 -1.703 -9.626 7.680 81 HG2 GLN 11 HG2 GLN 11 -2.504 -8.753 9.760 82 HG3 GLN 11 HG3 GLN 11 -4.138 -9.312 9.417 83 HE21 GLN 11 HE21 GLN 11 -4.630 -11.472 9.643 84 HE22 GLN 11 HE22 GLN 11 -3.593 -12.579 10.483 85 H LEU 12 H LEU 12 -1.004 -7.329 6.442 86 HA LEU 12 HA LEU 12 -0.404 -5.735 8.666 87 HB2 LEU 12 HB2 LEU 12 1.271 -6.491 7.052 88 HB3 LEU 12 HB3 LEU 12 0.556 -5.478 5.813 89 HG LEU 12 HG LEU 12 1.200 -3.470 7.064 90 HD11 LEU 12 HD11 LEU 12 2.504 -5.386 8.993 91 HD12 LEU 12 HD12 LEU 12 1.081 -4.401 9.326 92 HD13 LEU 12 HD13 LEU 12 2.638 -3.628 9.023 93 HD21 LEU 12 HD21 LEU 12 3.472 -5.404 6.649 94 HD22 LEU 12 HD22 LEU 12 3.608 -3.647 6.724 95 HD23 LEU 12 HD23 LEU 12 2.721 -4.409 5.404 96 H ALA 13 H ALA 13 -1.982 -4.951 5.604 97 HA ALA 13 HA ALA 13 -2.235 -2.171 6.036 98 HB1 ALA 13 HB1 ALA 13 -3.862 -2.230 4.230 99 HB2 ALA 13 HB2 ALA 13 -3.968 -3.986 4.362 100 HB3 ALA 13 HB3 ALA 13 -2.464 -3.230 3.835 101 H ASP 14 H ASP 14 -4.283 -4.917 6.860 102 HA ASP 14 HA ASP 14 -6.501 -3.355 7.736 103 HB2 ASP 14 HB2 ASP 14 -6.521 -5.808 7.021 104 HB3 ASP 14 HB3 ASP 14 -5.859 -6.174 8.612 105 H GLU 15 H GLU 15 -3.758 -4.887 9.326 106 HA GLU 15 HA GLU 15 -4.358 -4.254 12.004 107 HB2 GLU 15 HB2 GLU 15 -2.561 -5.819 11.154 108 HB3 GLU 15 HB3 GLU 15 -1.615 -4.401 10.726 109 HG2 GLU 15 HG2 GLU 15 -0.719 -4.943 12.752 110 HG3 GLU 15 HG3 GLU 15 -1.945 -3.771 13.230 111 H TYR 16 H TYR 16 -2.743 -2.491 9.443 112 HA TYR 16 HA TYR 16 -1.743 -0.298 10.861 113 HB2 TYR 16 HB2 TYR 16 -1.226 -0.983 8.496 114 HB3 TYR 16 HB3 TYR 16 -2.785 -0.329 8.019 115 HD1 TYR 16 HD2 TYR 16 0.550 0.538 9.340 116 HD2 TYR 16 HD1 TYR 16 -3.071 2.002 7.654 117 HE1 TYR 16 HE2 TYR 16 1.616 2.723 8.967 118 HE2 TYR 16 HE1 TYR 16 -2.016 4.189 7.271 119 HH TYR 16 HH TYR 16 1.305 4.679 7.441 120 H PHE 17 H PHE 17 -4.890 -0.905 9.415 121 HA PHE 17 HA PHE 17 -6.105 1.575 9.574 122 HB2 PHE 17 HB2 PHE 17 -7.057 -0.463 8.507 123 HB3 PHE 17 HB3 PHE 17 -7.372 -1.127 10.101 124 HD1 PHE 17 HD2 PHE 17 -9.083 -0.013 11.568 125 HD2 PHE 17 HD1 PHE 17 -8.532 1.037 7.478 126 HE1 PHE 17 HE2 PHE 17 -11.304 1.042 11.538 127 HE2 PHE 17 HE1 PHE 17 -10.756 2.087 7.443 128 HZ PHE 17 HZ PHE 17 -12.148 2.090 9.475 129 H GLU 18 H GLU 18 -5.853 -0.929 12.049 130 HA GLU 18 HA GLU 18 -7.562 0.246 13.943 131 HB2 GLU 18 HB2 GLU 18 -7.161 -2.066 14.101 132 HB3 GLU 18 HB3 GLU 18 -5.421 -1.860 14.061 133 HG2 GLU 18 HG2 GLU 18 -6.140 -2.558 16.247 134 HG3 GLU 18 HG3 GLU 18 -5.475 -0.932 16.316 135 H ARG 19 H ARG 19 -4.252 0.978 13.170 136 HA ARG 19 HA ARG 19 -3.916 2.262 15.788 137 HB2 ARG 19 HB2 ARG 19 -1.939 1.350 13.726 138 HB3 ARG 19 HB3 ARG 19 -1.479 2.532 14.944 139 HG2 ARG 19 HG2 ARG 19 -0.823 0.363 15.705 140 HG3 ARG 19 HG3 ARG 19 -2.171 0.913 16.700 141 HD2 ARG 19 HD2 ARG 19 -3.685 -0.402 15.195 142 HD3 ARG 19 HD3 ARG 19 -2.244 -1.077 14.443 143 HE ARG 19 HE ARG 19 -2.208 -1.424 17.268 144 HH11 ARG 19 HH11 ARG 19 -3.617 -2.631 14.324 145 HH12 ARG 19 HH12 ARG 19 -3.882 -4.237 14.936 146 HH21 ARG 19 HH21 ARG 19 -2.572 -3.535 18.125 147 HH22 ARG 19 HH22 ARG 19 -3.322 -4.739 17.108 148 H MET 20 H MET 20 -3.728 3.008 12.320 149 HA MET 20 HA MET 20 -3.051 5.772 12.974 150 HB2 MET 20 HB2 MET 20 -3.190 4.325 10.330 151 HB3 MET 20 HB3 MET 20 -2.784 6.025 10.500 152 HG2 MET 20 HG2 MET 20 -1.229 3.848 11.860 153 HG3 MET 20 HG3 MET 20 -0.862 4.407 10.232 154 HE1 MET 20 HE1 MET 20 -0.496 5.029 14.028 155 HE2 MET 20 HE2 MET 20 -1.810 6.159 13.703 156 HE3 MET 20 HE3 MET 20 -0.211 6.764 14.142 157 H ILE 21 H ILE 21 -5.777 3.919 11.916 158 HA ILE 21 HA ILE 21 -7.181 6.371 11.084 159 HB ILE 21 HB ILE 21 -8.028 3.518 10.540 160 HG12 ILE 21 HG12 ILE 21 -6.440 5.411 8.788 161 HG13 ILE 21 HG13 ILE 21 -5.787 3.990 9.596 162 HG21 ILE 21 HG21 ILE 21 -9.377 4.540 8.771 163 HG22 ILE 21 HG22 ILE 21 -8.783 6.135 9.231 164 HG23 ILE 21 HG23 ILE 21 -9.794 5.217 10.346 165 HD11 ILE 21 HD11 ILE 21 -7.244 2.569 8.258 166 HD12 ILE 21 HD12 ILE 21 -6.192 3.564 7.252 167 HD13 ILE 21 HD13 ILE 21 -7.890 3.996 7.449 168 H ALA 22 H ALA 22 -6.699 4.858 13.813 169 HA ALA 22 HA ALA 22 -9.487 4.993 14.721 170 HB1 ALA 22 HB1 ALA 22 -8.322 2.927 15.286 171 HB2 ALA 22 HB2 ALA 22 -8.729 3.840 16.740 172 HB3 ALA 22 HB3 ALA 22 -7.076 3.851 16.127 173 H GLY 23 H GLY 23 -9.169 7.368 14.384 174 HA2 GLY 23 HA2 GLY 23 -9.326 8.892 16.543 175 HA3 GLY 23 HA3 GLY 23 -7.582 8.699 16.436 176 H ARG 24 H ARG 24 -10.325 10.346 15.289 177 HA ARG 24 HA ARG 24 -10.673 12.078 13.886 178 HB2 ARG 24 HB2 ARG 24 -8.307 12.642 15.094 179 HB3 ARG 24 HB3 ARG 24 -7.825 12.664 13.407 180 HG2 ARG 24 HG2 ARG 24 -10.094 14.269 14.554 181 HG3 ARG 24 HG3 ARG 24 -8.465 14.873 14.296 182 HD2 ARG 24 HD2 ARG 24 -8.708 14.374 11.882 183 HD3 ARG 24 HD3 ARG 24 -10.375 13.889 12.190 184 HE ARG 24 HE ARG 24 -9.601 16.573 13.021 185 HH11 ARG 24 HH11 ARG 24 -11.110 14.570 10.586 186 HH12 ARG 24 HH12 ARG 24 -12.122 15.848 9.971 187 HH21 ARG 24 HH21 ARG 24 -10.880 18.277 12.199 188 HH22 ARG 24 HH22 ARG 24 -11.989 17.970 10.885 189 H TRP 25 H TRP 25 -11.362 10.448 12.383 190 HA TRP 25 HA TRP 25 -9.651 10.386 10.006 191 HB2 TRP 25 HB2 TRP 25 -10.298 8.092 9.523 192 HB3 TRP 25 HB3 TRP 25 -9.548 8.182 11.103 193 HD1 TRP 25 HD1 TRP 25 -12.506 6.857 9.376 194 HE1 TRP 25 HE1 TRP 25 -14.228 5.939 11.064 195 HE3 TRP 25 HE3 TRP 25 -10.570 8.832 13.671 196 HZ2 TRP 25 HZ2 TRP 25 -14.703 6.059 13.836 197 HZ3 TRP 25 HZ3 TRP 25 -11.721 8.388 15.797 198 HH2 TRP 25 HH2 TRP 25 -13.744 7.031 15.873 199 H LYS 26 H LYS 26 -12.987 9.868 11.168 200 HA LYS 26 HA LYS 26 -14.919 10.872 10.581 201 HB2 LYS 26 HB2 LYS 26 -13.098 12.693 9.022 202 HB3 LYS 26 HB3 LYS 26 -14.828 12.951 9.192 203 HG2 LYS 26 HG2 LYS 26 -13.092 12.653 11.611 204 HG3 LYS 26 HG3 LYS 26 -13.200 14.193 10.762 205 HD2 LYS 26 HD2 LYS 26 -14.772 14.147 12.610 206 HD3 LYS 26 HD3 LYS 26 -15.637 14.188 11.078 207 HE2 LYS 26 HE2 LYS 26 -16.099 11.819 11.227 208 HE3 LYS 26 HE3 LYS 26 -15.130 11.693 12.694 209 HZ1 LYS 26 HZ1 LYS 26 -16.711 12.824 13.931 210 HZ2 LYS 26 HZ2 LYS 26 -17.668 11.874 12.902 211 HZ3 LYS 26 HZ3 LYS 26 -17.442 13.518 12.572 212 H HIS 27 H HIS 27 -12.971 9.479 8.154 213 HA HIS 27 HA HIS 27 -15.396 8.805 6.722 214 HB2 HIS 27 HB2 HIS 27 -14.306 9.197 4.483 215 HB3 HIS 27 HB3 HIS 27 -14.785 10.635 5.364 216 HD1 HIS 27 HD1 HIS 27 -13.134 11.909 3.767 217 HD2 HIS 27 HD2 HIS 27 -11.309 9.224 6.376 218 HE1 HIS 27 HE1 HIS 27 -10.689 12.497 3.751 219 HE2 HIS 27 HE2 HIS 27 -9.582 10.770 5.206 220 HA PRO 28 HA PRO 28 -12.729 5.225 7.595 221 HB2 PRO 28 HB2 PRO 28 -15.290 3.816 7.773 222 HB3 PRO 28 HB3 PRO 28 -14.034 4.009 8.998 223 HG2 PRO 28 HG2 PRO 28 -16.434 5.247 9.170 224 HG3 PRO 28 HG3 PRO 28 -14.944 5.951 9.819 225 HD2 PRO 28 HD2 PRO 28 -16.396 6.579 7.282 226 HD3 PRO 28 HD3 PRO 28 -15.595 7.677 8.426 227 H ASN 29 H ASN 29 -15.672 5.260 5.608 228 HA ASN 29 HA ASN 29 -14.998 2.966 4.088 229 HB2 ASN 29 HB2 ASN 29 -16.835 3.633 2.598 230 HB3 ASN 29 HB3 ASN 29 -17.315 3.707 4.288 231 HD21 ASN 29 HD21 ASN 29 -18.360 5.049 1.882 232 HD22 ASN 29 HD22 ASN 29 -18.337 6.739 2.259 233 H ILE 30 H ILE 30 -14.277 6.362 3.740 234 HA ILE 30 HA ILE 30 -13.494 6.274 1.021 235 HB ILE 30 HB ILE 30 -12.645 8.184 3.202 236 HG12 ILE 30 HG12 ILE 30 -15.047 8.214 2.808 237 HG13 ILE 30 HG13 ILE 30 -14.321 9.684 2.173 238 HG21 ILE 30 HG21 ILE 30 -11.974 9.691 1.398 239 HG22 ILE 30 HG22 ILE 30 -12.359 8.444 0.211 240 HG23 ILE 30 HG23 ILE 30 -11.046 8.191 1.360 241 HD11 ILE 30 HD11 ILE 30 -14.420 8.754 -0.083 242 HD12 ILE 30 HD12 ILE 30 -16.014 8.821 0.672 243 HD13 ILE 30 HD13 ILE 30 -15.155 7.285 0.559 244 H VAL 31 H VAL 31 -11.590 6.158 4.038 245 HA VAL 31 HA VAL 31 -9.150 5.671 2.644 246 HB VAL 31 HB VAL 31 -9.224 6.724 4.888 247 HG11 VAL 31 HG11 VAL 31 -9.852 3.950 5.870 248 HG12 VAL 31 HG12 VAL 31 -10.937 5.339 5.917 249 HG13 VAL 31 HG13 VAL 31 -9.459 5.340 6.879 250 HG21 VAL 31 HG21 VAL 31 -7.253 5.575 5.783 251 HG22 VAL 31 HG22 VAL 31 -7.150 5.790 4.036 252 HG23 VAL 31 HG23 VAL 31 -7.567 4.214 4.707 253 H ARG 32 H ARG 32 -11.661 3.637 3.996 254 HA ARG 32 HA ARG 32 -10.285 1.181 3.865 255 HB2 ARG 32 HB2 ARG 32 -13.071 2.040 4.139 256 HB3 ARG 32 HB3 ARG 32 -12.889 0.510 3.291 257 HG2 ARG 32 HG2 ARG 32 -11.773 1.152 6.012 258 HG3 ARG 32 HG3 ARG 32 -13.215 0.187 5.684 259 HD2 ARG 32 HD2 ARG 32 -11.816 -1.401 4.406 260 HD3 ARG 32 HD3 ARG 32 -10.392 -0.459 4.842 261 HE ARG 32 HE ARG 32 -11.843 -1.236 7.154 262 HH11 ARG 32 HH11 ARG 32 -9.704 -2.536 4.689 263 HH12 ARG 32 HH12 ARG 32 -9.063 -3.764 5.726 264 HH21 ARG 32 HH21 ARG 32 -10.984 -2.869 8.512 265 HH22 ARG 32 HH22 ARG 32 -9.773 -3.962 7.888 266 H SER 33 H SER 33 -12.229 2.938 1.483 267 HA SER 33 HA SER 33 -12.065 1.044 -0.575 268 HB2 SER 33 HB2 SER 33 -12.196 4.063 -0.829 269 HB3 SER 33 HB3 SER 33 -12.597 2.897 -2.093 270 HG SER 33 HG SER 33 -13.955 3.435 0.328 271 H ARG 34 H ARG 34 -9.858 3.584 0.465 272 HA ARG 34 HA ARG 34 -7.975 3.333 -1.609 273 HB2 ARG 34 HB2 ARG 34 -7.627 4.161 1.278 274 HB3 ARG 34 HB3 ARG 34 -6.359 4.281 0.063 275 HG2 ARG 34 HG2 ARG 34 -9.021 5.684 -0.019 276 HG3 ARG 34 HG3 ARG 34 -7.466 6.418 0.387 277 HD2 ARG 34 HD2 ARG 34 -6.627 6.020 -1.808 278 HD3 ARG 34 HD3 ARG 34 -8.029 5.041 -2.230 279 HE ARG 34 HE ARG 34 -8.312 7.904 -1.612 280 HH11 ARG 34 HH11 ARG 34 -8.636 5.200 -3.819 281 HH12 ARG 34 HH12 ARG 34 -9.685 6.059 -4.915 282 HH21 ARG 34 HH21 ARG 34 -9.684 9.043 -3.048 283 HH22 ARG 34 HH22 ARG 34 -10.296 8.242 -4.471 284 H ILE 35 H ILE 35 -8.001 1.888 1.642 285 HA ILE 35 HA ILE 35 -5.692 0.335 1.326 286 HB ILE 35 HB ILE 35 -8.091 -0.191 3.088 287 HG12 ILE 35 HG12 ILE 35 -5.441 1.146 3.687 288 HG13 ILE 35 HG13 ILE 35 -6.975 1.983 3.464 289 HG21 ILE 35 HG21 ILE 35 -5.310 -1.356 3.195 290 HG22 ILE 35 HG22 ILE 35 -6.801 -2.221 2.822 291 HG23 ILE 35 HG23 ILE 35 -6.545 -1.561 4.437 292 HD11 ILE 35 HD11 ILE 35 -7.873 0.843 5.428 293 HD12 ILE 35 HD12 ILE 35 -6.425 1.774 5.812 294 HD13 ILE 35 HD13 ILE 35 -6.331 0.019 5.651 295 H GLU 36 H GLU 36 -9.092 -0.486 0.703 296 HA GLU 36 HA GLU 36 -8.467 -3.248 0.195 297 HB2 GLU 36 HB2 GLU 36 -11.029 -1.689 -0.145 298 HB3 GLU 36 HB3 GLU 36 -10.888 -3.427 -0.359 299 HG2 GLU 36 HG2 GLU 36 -10.424 -1.883 2.178 300 HG3 GLU 36 HG3 GLU 36 -11.789 -2.940 1.817 301 H LYS 37 H LYS 37 -8.840 -0.405 -1.781 302 HA LYS 37 HA LYS 37 -8.924 -2.118 -4.167 303 HB2 LYS 37 HB2 LYS 37 -10.878 -0.831 -4.158 304 HB3 LYS 37 HB3 LYS 37 -10.035 0.613 -3.623 305 HG2 LYS 37 HG2 LYS 37 -9.203 -0.448 -6.238 306 HG3 LYS 37 HG3 LYS 37 -10.850 0.188 -6.145 307 HD2 LYS 37 HD2 LYS 37 -10.025 2.292 -5.284 308 HD3 LYS 37 HD3 LYS 37 -8.379 1.659 -5.238 309 HE2 LYS 37 HE2 LYS 37 -8.383 1.431 -7.652 310 HE3 LYS 37 HE3 LYS 37 -10.049 1.998 -7.711 311 HZ1 LYS 37 HZ1 LYS 37 -9.372 4.133 -6.917 312 HZ2 LYS 37 HZ2 LYS 37 -8.379 3.724 -8.231 313 HZ3 LYS 37 HZ3 LYS 37 -7.783 3.595 -6.647 314 H ASP 38 H ASP 38 -7.438 0.879 -2.932 315 HA ASP 38 HA ASP 38 -5.677 1.042 -5.217 316 HB2 ASP 38 HB2 ASP 38 -5.823 2.695 -2.691 317 HB3 ASP 38 HB3 ASP 38 -4.730 3.025 -4.031 318 H ILE 39 H ILE 39 -5.143 0.767 -1.704 319 HA ILE 39 HA ILE 39 -2.369 0.323 -1.888 320 HB ILE 39 HB ILE 39 -4.369 -0.189 0.297 321 HG12 ILE 39 HG12 ILE 39 -2.909 1.481 1.494 322 HG13 ILE 39 HG13 ILE 39 -2.018 1.685 -0.006 323 HG21 ILE 39 HG21 ILE 39 -2.558 -0.836 1.809 324 HG22 ILE 39 HG22 ILE 39 -1.436 -0.850 0.448 325 HG23 ILE 39 HG23 ILE 39 -2.772 -2.000 0.500 326 HD11 ILE 39 HD11 ILE 39 -4.929 2.297 0.428 327 HD12 ILE 39 HD12 ILE 39 -4.061 2.473 -1.096 328 HD13 ILE 39 HD13 ILE 39 -3.615 3.466 0.292 329 H LYS 40 H LYS 40 -5.043 -1.986 -1.451 330 HA LYS 40 HA LYS 40 -3.212 -4.138 -2.221 331 HB2 LYS 40 HB2 LYS 40 -4.122 -4.445 -0.043 332 HB3 LYS 40 HB3 LYS 40 -5.736 -4.020 -0.578 333 HG2 LYS 40 HG2 LYS 40 -5.737 -6.105 -1.945 334 HG3 LYS 40 HG3 LYS 40 -4.214 -6.537 -1.160 335 HD2 LYS 40 HD2 LYS 40 -6.207 -7.513 -0.076 336 HD3 LYS 40 HD3 LYS 40 -5.252 -6.511 1.005 337 HE2 LYS 40 HE2 LYS 40 -6.834 -4.644 0.550 338 HE3 LYS 40 HE3 LYS 40 -7.817 -5.760 -0.396 339 HZ1 LYS 40 HZ1 LYS 40 -7.223 -5.936 2.503 340 HZ2 LYS 40 HZ2 LYS 40 -8.032 -7.138 1.629 341 HZ3 LYS 40 HZ3 LYS 40 -8.723 -5.595 1.792 342 HA PRO 41 HA PRO 41 -6.151 -3.763 -5.726 343 HB2 PRO 41 HB2 PRO 41 -4.304 -3.529 -7.710 344 HB3 PRO 41 HB3 PRO 41 -4.907 -2.165 -6.768 345 HG2 PRO 41 HG2 PRO 41 -2.273 -3.430 -6.715 346 HG3 PRO 41 HG3 PRO 41 -2.773 -1.857 -6.078 347 HD2 PRO 41 HD2 PRO 41 -2.375 -4.343 -4.656 348 HD3 PRO 41 HD3 PRO 41 -2.747 -2.739 -3.998 349 H ALA 42 H ALA 42 -3.054 -5.486 -6.234 350 HA ALA 42 HA ALA 42 -4.594 -7.857 -7.010 351 HB1 ALA 42 HB1 ALA 42 -2.270 -6.728 -8.557 352 HB2 ALA 42 HB2 ALA 42 -3.958 -6.745 -9.069 353 HB3 ALA 42 HB3 ALA 42 -3.077 -8.260 -8.890 354 H ILE 43 H ILE 43 -1.730 -6.494 -5.638 355 HA ILE 43 HA ILE 43 -0.438 -9.051 -5.230 356 HB ILE 43 HB ILE 43 1.148 -7.569 -3.830 357 HG12 ILE 43 HG12 ILE 43 -0.232 -5.392 -5.402 358 HG13 ILE 43 HG13 ILE 43 -0.588 -5.712 -3.712 359 HG21 ILE 43 HG21 ILE 43 2.289 -6.801 -5.859 360 HG22 ILE 43 HG22 ILE 43 0.828 -7.112 -6.794 361 HG23 ILE 43 HG23 ILE 43 1.689 -8.451 -6.035 362 HD11 ILE 43 HD11 ILE 43 1.723 -5.217 -3.128 363 HD12 ILE 43 HD12 ILE 43 0.976 -3.866 -3.984 364 HD13 ILE 43 HD13 ILE 43 2.096 -4.935 -4.829 365 H GLY 44 H GLY 44 -3.091 -8.515 -4.037 366 HA2 GLY 44 HA2 GLY 44 -2.819 -7.976 -1.266 367 HA3 GLY 44 HA3 GLY 44 -4.218 -8.694 -2.048 368 H SER 45 H SER 45 -2.162 -9.203 0.310 369 HA SER 45 HA SER 45 -1.745 -10.983 1.639 370 HB2 SER 45 HB2 SER 45 -3.417 -12.550 -0.339 371 HB3 SER 45 HB3 SER 45 -2.935 -13.093 1.270 372 HG SER 45 HG SER 45 -4.936 -12.245 1.549 373 H LEU 46 H LEU 46 -0.273 -10.373 -1.039 374 HA LEU 46 HA LEU 46 1.115 -12.896 -1.425 375 HB2 LEU 46 HB2 LEU 46 0.592 -11.390 -3.337 376 HB3 LEU 46 HB3 LEU 46 1.669 -10.187 -2.652 377 HG LEU 46 HG LEU 46 3.556 -11.776 -2.908 378 HD11 LEU 46 HD11 LEU 46 2.303 -13.863 -2.824 379 HD12 LEU 46 HD12 LEU 46 3.262 -13.763 -4.300 380 HD13 LEU 46 HD13 LEU 46 1.526 -13.470 -4.358 381 HD21 LEU 46 HD21 LEU 46 2.019 -11.208 -5.441 382 HD22 LEU 46 HD22 LEU 46 3.742 -11.576 -5.335 383 HD23 LEU 46 HD23 LEU 46 3.110 -10.094 -4.617 384 H LYS 47 H LYS 47 1.554 -12.621 1.011 385 HA LYS 47 HA LYS 47 2.945 -12.289 2.760 386 HB2 LYS 47 HB2 LYS 47 4.792 -12.470 0.421 387 HB3 LYS 47 HB3 LYS 47 5.436 -12.163 2.029 388 HG2 LYS 47 HG2 LYS 47 3.681 -14.497 1.318 389 HG3 LYS 47 HG3 LYS 47 5.446 -14.546 1.375 390 HD2 LYS 47 HD2 LYS 47 5.232 -13.695 3.762 391 HD3 LYS 47 HD3 LYS 47 3.515 -14.083 3.633 392 HE2 LYS 47 HE2 LYS 47 3.897 -16.342 3.510 393 HE3 LYS 47 HE3 LYS 47 5.533 -16.133 2.888 394 HZ1 LYS 47 HZ1 LYS 47 5.651 -16.890 5.139 395 HZ2 LYS 47 HZ2 LYS 47 4.610 -15.663 5.671 396 HZ3 LYS 47 HZ3 LYS 47 6.161 -15.270 5.104 397 H VAL 48 H VAL 48 4.461 -10.876 3.890 398 HA VAL 48 HA VAL 48 4.390 -8.095 3.034 399 HB VAL 48 HB VAL 48 5.856 -9.312 5.394 400 HG11 VAL 48 HG11 VAL 48 6.694 -7.113 4.720 401 HG12 VAL 48 HG12 VAL 48 5.874 -7.037 6.280 402 HG13 VAL 48 HG13 VAL 48 5.063 -6.457 4.826 403 HG21 VAL 48 HG21 VAL 48 3.980 -8.562 6.763 404 HG22 VAL 48 HG22 VAL 48 3.459 -9.742 5.559 405 HG23 VAL 48 HG23 VAL 48 3.130 -8.025 5.315 406 H GLU 49 H GLU 49 6.438 -10.858 3.052 407 HA GLU 49 HA GLU 49 8.885 -9.437 2.508 408 HB2 GLU 49 HB2 GLU 49 8.497 -12.404 2.191 409 HB3 GLU 49 HB3 GLU 49 9.958 -11.531 2.626 410 HG2 GLU 49 HG2 GLU 49 9.404 -12.386 4.655 411 HG3 GLU 49 HG3 GLU 49 8.520 -10.863 4.734 412 H ASP 50 H ASP 50 6.375 -10.911 0.624 413 HA ASP 50 HA ASP 50 8.064 -11.325 -1.689 414 HB2 ASP 50 HB2 ASP 50 5.250 -11.964 -0.992 415 HB3 ASP 50 HB3 ASP 50 5.630 -11.783 -2.699 416 H VAL 51 H VAL 51 6.048 -8.802 -0.491 417 HA VAL 51 HA VAL 51 5.542 -7.639 -3.051 418 HB VAL 51 HB VAL 51 3.993 -7.133 -1.295 419 HG11 VAL 51 HG11 VAL 51 5.401 -7.339 0.647 420 HG12 VAL 51 HG12 VAL 51 4.608 -5.762 0.659 421 HG13 VAL 51 HG13 VAL 51 6.303 -5.895 0.189 422 HG21 VAL 51 HG21 VAL 51 4.304 -5.413 -2.978 423 HG22 VAL 51 HG22 VAL 51 5.585 -4.677 -2.015 424 HG23 VAL 51 HG23 VAL 51 3.926 -4.690 -1.414 425 H LYS 52 H LYS 52 7.436 -7.454 -4.113 426 HA LYS 52 HA LYS 52 9.559 -5.806 -2.981 427 HB2 LYS 52 HB2 LYS 52 9.580 -7.125 -5.697 428 HB3 LYS 52 HB3 LYS 52 10.954 -6.642 -4.709 429 HG2 LYS 52 HG2 LYS 52 10.166 -8.377 -3.032 430 HG3 LYS 52 HG3 LYS 52 9.095 -8.962 -4.299 431 HD2 LYS 52 HD2 LYS 52 11.059 -10.303 -4.352 432 HD3 LYS 52 HD3 LYS 52 11.117 -9.237 -5.755 433 HE2 LYS 52 HE2 LYS 52 12.759 -7.862 -4.774 434 HE3 LYS 52 HE3 LYS 52 12.486 -8.545 -3.171 435 HZ1 LYS 52 HZ1 LYS 52 14.542 -9.339 -4.312 436 HZ2 LYS 52 HZ2 LYS 52 13.554 -10.120 -5.449 437 HZ3 LYS 52 HZ3 LYS 52 13.493 -10.574 -3.817 438 HA PRO 53 HA PRO 53 8.588 -2.014 -4.917 439 HB2 PRO 53 HB2 PRO 53 11.223 -2.016 -6.299 440 HB3 PRO 53 HB3 PRO 53 10.512 -0.803 -5.230 441 HG2 PRO 53 HG2 PRO 53 12.449 -2.392 -4.353 442 HG3 PRO 53 HG3 PRO 53 11.081 -1.968 -3.304 443 HD2 PRO 53 HD2 PRO 53 11.616 -4.510 -4.789 444 HD3 PRO 53 HD3 PRO 53 10.927 -4.271 -3.170 445 H ARG 54 H ARG 54 9.874 -4.491 -7.019 446 HA ARG 54 HA ARG 54 9.253 -3.397 -9.516 447 HB2 ARG 54 HB2 ARG 54 9.159 -6.300 -8.678 448 HB3 ARG 54 HB3 ARG 54 9.240 -5.712 -10.333 449 HG2 ARG 54 HG2 ARG 54 11.435 -4.751 -9.895 450 HG3 ARG 54 HG3 ARG 54 11.354 -5.320 -8.224 451 HD2 ARG 54 HD2 ARG 54 11.215 -7.622 -9.011 452 HD3 ARG 54 HD3 ARG 54 11.268 -7.062 -10.679 453 HE ARG 54 HE ARG 54 13.499 -6.618 -8.793 454 HH11 ARG 54 HH11 ARG 54 12.251 -7.638 -11.907 455 HH12 ARG 54 HH12 ARG 54 13.823 -7.969 -12.577 456 HH21 ARG 54 HH21 ARG 54 15.580 -7.018 -9.685 457 HH22 ARG 54 HH22 ARG 54 15.712 -7.619 -11.315 458 H HIS 55 H HIS 55 7.282 -5.266 -7.257 459 HA HIS 55 HA HIS 55 5.049 -5.651 -8.951 460 HB2 HIS 55 HB2 HIS 55 5.033 -5.464 -5.930 461 HB3 HIS 55 HB3 HIS 55 3.792 -6.194 -6.934 462 HD1 HIS 55 HD1 HIS 55 6.565 -7.486 -8.557 463 HD2 HIS 55 HD2 HIS 55 4.956 -8.143 -4.774 464 HE1 HIS 55 HE1 HIS 55 7.532 -9.671 -7.767 465 HE2 HIS 55 HE2 HIS 55 6.438 -10.122 -5.547 466 H ILE 56 H ILE 56 6.001 -3.112 -6.764 467 HA ILE 56 HA ILE 56 3.546 -1.798 -6.483 468 HB ILE 56 HB ILE 56 6.307 -0.568 -6.384 469 HG12 ILE 56 HG12 ILE 56 6.113 -2.504 -4.876 470 HG13 ILE 56 HG13 ILE 56 6.223 -0.996 -3.973 471 HG21 ILE 56 HG21 ILE 56 4.559 1.100 -6.517 472 HG22 ILE 56 HG22 ILE 56 5.260 1.084 -4.900 473 HG23 ILE 56 HG23 ILE 56 3.690 0.331 -5.188 474 HD11 ILE 56 HD11 ILE 56 3.707 -2.557 -4.515 475 HD12 ILE 56 HD12 ILE 56 3.806 -1.038 -3.622 476 HD13 ILE 56 HD13 ILE 56 4.589 -2.486 -2.988 477 H ASP 57 H ASP 57 6.122 -1.415 -8.886 478 HA ASP 57 HA ASP 57 5.115 0.938 -10.071 479 HB2 ASP 57 HB2 ASP 57 7.429 0.117 -10.410 480 HB3 ASP 57 HB3 ASP 57 6.798 -1.224 -11.360 481 H ASP 58 H ASP 58 4.549 -2.482 -10.698 482 HA ASP 58 HA ASP 58 3.054 -2.030 -13.088 483 HB2 ASP 58 HB2 ASP 58 4.234 -4.168 -12.625 484 HB3 ASP 58 HB3 ASP 58 3.074 -4.498 -11.341 485 H VAL 59 H VAL 59 2.181 -2.645 -9.696 486 HA VAL 59 HA VAL 59 -0.610 -2.755 -10.228 487 HB VAL 59 HB VAL 59 -0.959 -2.555 -7.811 488 HG11 VAL 59 HG11 VAL 59 1.268 -4.444 -8.553 489 HG12 VAL 59 HG12 VAL 59 -0.458 -4.728 -8.778 490 HG13 VAL 59 HG13 VAL 59 0.209 -4.598 -7.151 491 HG21 VAL 59 HG21 VAL 59 0.812 -0.961 -7.280 492 HG22 VAL 59 HG22 VAL 59 2.027 -2.190 -7.630 493 HG23 VAL 59 HG23 VAL 59 0.923 -2.404 -6.271 494 H LEU 60 H LEU 60 1.579 -0.124 -9.316 495 HA LEU 60 HA LEU 60 -0.446 1.835 -8.963 496 HB2 LEU 60 HB2 LEU 60 2.441 2.122 -9.804 497 HB3 LEU 60 HB3 LEU 60 1.390 3.477 -9.447 498 HG LEU 60 HG LEU 60 2.310 1.351 -7.510 499 HD11 LEU 60 HD11 LEU 60 2.897 4.304 -7.687 500 HD12 LEU 60 HD12 LEU 60 4.009 2.998 -8.094 501 HD13 LEU 60 HD13 LEU 60 3.467 3.205 -6.428 502 HD21 LEU 60 HD21 LEU 60 0.014 2.019 -7.018 503 HD22 LEU 60 HD22 LEU 60 0.492 3.716 -7.045 504 HD23 LEU 60 HD23 LEU 60 1.131 2.641 -5.802 505 H LYS 61 H LYS 61 1.413 0.748 -11.766 506 HA LYS 61 HA LYS 61 0.513 2.604 -13.631 507 HB2 LYS 61 HB2 LYS 61 2.361 1.166 -14.115 508 HB3 LYS 61 HB3 LYS 61 1.397 -0.275 -13.852 509 HG2 LYS 61 HG2 LYS 61 0.641 1.589 -16.042 510 HG3 LYS 61 HG3 LYS 61 2.025 0.516 -16.256 511 HD2 LYS 61 HD2 LYS 61 -0.823 -0.264 -15.649 512 HD3 LYS 61 HD3 LYS 61 0.079 -0.567 -17.125 513 HE2 LYS 61 HE2 LYS 61 0.698 -1.726 -14.416 514 HE3 LYS 61 HE3 LYS 61 -0.083 -2.578 -15.744 515 HZ1 LYS 61 HZ1 LYS 61 1.925 -2.358 -17.045 516 HZ2 LYS 61 HZ2 LYS 61 2.276 -3.104 -15.561 517 HZ3 LYS 61 HZ3 LYS 61 2.678 -1.474 -15.808 518 H ALA 62 H ALA 62 -0.932 -0.363 -12.422 519 HA ALA 62 HA ALA 62 -3.109 -0.406 -14.251 520 HB1 ALA 62 HB1 ALA 62 -4.056 -2.100 -12.787 521 HB2 ALA 62 HB2 ALA 62 -2.875 -1.706 -11.538 522 HB3 ALA 62 HB3 ALA 62 -2.344 -2.411 -13.065 523 H VAL 63 H VAL 63 -2.780 0.748 -10.883 524 HA VAL 63 HA VAL 63 -5.511 1.551 -10.721 525 HB VAL 63 HB VAL 63 -4.916 2.698 -8.643 526 HG11 VAL 63 HG11 VAL 63 -5.365 0.330 -8.542 527 HG12 VAL 63 HG12 VAL 63 -4.085 0.741 -7.399 528 HG13 VAL 63 HG13 VAL 63 -3.682 -0.034 -8.930 529 HG21 VAL 63 HG21 VAL 63 -2.078 1.988 -9.342 530 HG22 VAL 63 HG22 VAL 63 -2.618 2.622 -7.786 531 HG23 VAL 63 HG23 VAL 63 -2.764 3.610 -9.240 532 H MET 64 H MET 64 -2.682 3.043 -12.007 533 HA MET 64 HA MET 64 -3.728 5.715 -12.000 534 HB2 MET 64 HB2 MET 64 -1.449 4.435 -13.501 535 HB3 MET 64 HB3 MET 64 -1.898 6.120 -13.709 536 HG2 MET 64 HG2 MET 64 -1.461 6.519 -11.333 537 HG3 MET 64 HG3 MET 64 -0.992 4.829 -11.146 538 HE1 MET 64 HE1 MET 64 2.478 6.590 -10.877 539 HE2 MET 64 HE2 MET 64 1.373 5.424 -10.151 540 HE3 MET 64 HE3 MET 64 0.936 7.133 -10.210 541 H LYS 65 H LYS 65 -3.448 3.145 -14.458 542 HA LYS 65 HA LYS 65 -4.361 4.709 -16.595 543 HB2 LYS 65 HB2 LYS 65 -4.622 2.633 -17.822 544 HB3 LYS 65 HB3 LYS 65 -3.137 2.627 -16.897 545 HG2 LYS 65 HG2 LYS 65 -3.849 0.508 -16.512 546 HG3 LYS 65 HG3 LYS 65 -4.600 1.332 -15.147 547 HD2 LYS 65 HD2 LYS 65 -6.169 -0.194 -16.237 548 HD3 LYS 65 HD3 LYS 65 -6.702 1.482 -16.377 549 HE2 LYS 65 HE2 LYS 65 -5.794 1.568 -18.655 550 HE3 LYS 65 HE3 LYS 65 -5.281 -0.113 -18.509 551 HZ1 LYS 65 HZ1 LYS 65 -7.400 0.176 -19.707 552 HZ2 LYS 65 HZ2 LYS 65 -8.102 0.802 -18.295 553 HZ3 LYS 65 HZ3 LYS 65 -7.551 -0.800 -18.331 554 H ARG 66 H ARG 66 -6.124 2.689 -14.328 555 HA ARG 66 HA ARG 66 -8.621 3.558 -15.594 556 HB2 ARG 66 HB2 ARG 66 -9.702 1.834 -14.096 557 HB3 ARG 66 HB3 ARG 66 -8.642 1.216 -15.350 558 HG2 ARG 66 HG2 ARG 66 -7.968 -0.073 -13.619 559 HG3 ARG 66 HG3 ARG 66 -6.870 1.286 -13.395 560 HD2 ARG 66 HD2 ARG 66 -8.243 2.188 -11.652 561 HD3 ARG 66 HD3 ARG 66 -9.514 1.008 -11.975 562 HE ARG 66 HE ARG 66 -6.885 0.010 -11.177 563 HH11 ARG 66 HH11 ARG 66 -10.210 0.680 -10.280 564 HH12 ARG 66 HH12 ARG 66 -10.207 -0.452 -8.964 565 HH21 ARG 66 HH21 ARG 66 -6.869 -1.435 -9.425 566 HH22 ARG 66 HH22 ARG 66 -8.297 -1.625 -8.439 567 H GLY 67 H GLY 67 -6.722 4.979 -13.609 568 HA2 GLY 67 HA2 GLY 67 -8.917 6.193 -12.116 569 HA3 GLY 67 HA3 GLY 67 -7.588 5.534 -11.174 570 H ALA 68 H ALA 68 -6.076 6.936 -10.631 571 HA ALA 68 HA ALA 68 -5.194 8.976 -12.490 572 HB1 ALA 68 HB1 ALA 68 -6.380 9.747 -9.819 573 HB2 ALA 68 HB2 ALA 68 -7.106 10.064 -11.395 574 HB3 ALA 68 HB3 ALA 68 -5.582 10.837 -10.954 575 HA PRO 69 HA PRO 69 -1.385 8.056 -10.519 576 HB2 PRO 69 HB2 PRO 69 -0.477 10.748 -11.256 577 HB3 PRO 69 HB3 PRO 69 0.093 9.178 -11.815 578 HG2 PRO 69 HG2 PRO 69 -1.301 10.841 -13.406 579 HG3 PRO 69 HG3 PRO 69 -1.423 9.077 -13.533 580 HD2 PRO 69 HD2 PRO 69 -3.293 11.020 -12.241 581 HD3 PRO 69 HD3 PRO 69 -3.657 9.577 -13.212 582 H SER 70 H SER 70 -3.107 11.022 -9.827 583 HA SER 70 HA SER 70 -1.571 11.852 -7.596 584 HB2 SER 70 HB2 SER 70 -4.477 12.440 -8.217 585 HB3 SER 70 HB3 SER 70 -3.434 13.357 -7.128 586 HG SER 70 HG SER 70 -2.556 14.333 -8.776 587 H ILE 71 H ILE 71 -4.011 9.434 -8.011 588 HA ILE 71 HA ILE 71 -4.576 9.141 -5.207 589 HB ILE 71 HB ILE 71 -5.027 7.137 -7.431 590 HG12 ILE 71 HG12 ILE 71 -6.928 9.186 -6.263 591 HG13 ILE 71 HG13 ILE 71 -6.178 9.292 -7.851 592 HG21 ILE 71 HG21 ILE 71 -6.698 6.195 -5.890 593 HG22 ILE 71 HG22 ILE 71 -6.208 7.366 -4.665 594 HG23 ILE 71 HG23 ILE 71 -5.069 6.139 -5.216 595 HD11 ILE 71 HD11 ILE 71 -8.478 8.524 -8.000 596 HD12 ILE 71 HD12 ILE 71 -8.100 7.157 -6.950 597 HD13 ILE 71 HD13 ILE 71 -7.359 7.274 -8.545 598 H ALA 72 H ALA 72 -2.435 7.671 -7.568 599 HA ALA 72 HA ALA 72 -1.722 5.397 -6.081 600 HB1 ALA 72 HB1 ALA 72 0.043 5.096 -7.719 601 HB2 ALA 72 HB2 ALA 72 -0.194 6.747 -8.296 602 HB3 ALA 72 HB3 ALA 72 -1.473 5.549 -8.500 603 H ASN 73 H ASN 73 -0.179 8.592 -6.315 604 HA ASN 73 HA ASN 73 2.121 7.762 -4.831 605 HB2 ASN 73 HB2 ASN 73 2.763 10.106 -4.759 606 HB3 ASN 73 HB3 ASN 73 2.248 9.666 -6.380 607 HD21 ASN 73 HD21 ASN 73 2.410 12.281 -5.143 608 HD22 ASN 73 HD22 ASN 73 0.821 12.953 -5.239 609 H ASP 74 H ASP 74 -1.023 8.967 -3.988 610 HA ASP 74 HA ASP 74 -0.397 9.523 -1.248 611 HB2 ASP 74 HB2 ASP 74 -2.413 10.449 -2.408 612 HB3 ASP 74 HB3 ASP 74 -3.094 8.826 -2.444 613 H THR 75 H THR 75 -1.563 6.746 -3.070 614 HA THR 75 HA THR 75 -1.916 4.921 -0.993 615 HB THR 75 HB THR 75 -0.823 4.415 -3.772 616 HG1 THR 75 HG1 THR 75 -3.144 3.830 -4.063 617 HG21 THR 75 HG21 THR 75 -1.720 2.139 -3.480 618 HG22 THR 75 HG22 THR 75 -2.134 2.523 -1.811 619 HG23 THR 75 HG23 THR 75 -0.445 2.495 -2.316 620 H LEU 76 H LEU 76 0.991 5.930 -2.716 621 HA LEU 76 HA LEU 76 2.763 4.021 -1.689 622 HB2 LEU 76 HB2 LEU 76 3.221 6.803 -2.738 623 HB3 LEU 76 HB3 LEU 76 4.529 5.727 -2.286 624 HG LEU 76 HG LEU 76 2.485 5.172 -4.435 625 HD11 LEU 76 HD11 LEU 76 5.394 5.941 -4.651 626 HD12 LEU 76 HD12 LEU 76 4.022 6.982 -5.031 627 HD13 LEU 76 HD13 LEU 76 4.319 5.534 -5.990 628 HD21 LEU 76 HD21 LEU 76 3.945 3.287 -4.997 629 HD22 LEU 76 HD22 LEU 76 3.295 3.142 -3.363 630 HD23 LEU 76 HD23 LEU 76 4.961 3.664 -3.606 631 H ARG 77 H ARG 77 1.815 7.192 -0.396 632 HA ARG 77 HA ARG 77 3.880 7.248 1.550 633 HB2 ARG 77 HB2 ARG 77 2.642 9.082 2.607 634 HB3 ARG 77 HB3 ARG 77 2.842 9.320 0.880 635 HG2 ARG 77 HG2 ARG 77 0.505 8.412 0.614 636 HG3 ARG 77 HG3 ARG 77 0.358 8.542 2.369 637 HD2 ARG 77 HD2 ARG 77 -0.538 10.504 1.133 638 HD3 ARG 77 HD3 ARG 77 0.735 10.907 2.285 639 HE ARG 77 HE ARG 77 2.216 10.754 0.173 640 HH11 ARG 77 HH11 ARG 77 -1.089 11.909 0.189 641 HH12 ARG 77 HH12 ARG 77 -0.811 13.083 -1.066 642 HH21 ARG 77 HH21 ARG 77 2.572 12.239 -1.504 643 HH22 ARG 77 HH22 ARG 77 1.267 13.258 -2.045 644 H TRP 78 H TRP 78 0.582 6.000 1.597 645 HA TRP 78 HA TRP 78 0.530 5.342 4.349 646 HB2 TRP 78 HB2 TRP 78 -0.864 4.045 1.993 647 HB3 TRP 78 HB3 TRP 78 -1.181 3.628 3.673 648 HD1 TRP 78 HD1 TRP 78 -2.542 5.693 1.025 649 HE1 TRP 78 HE1 TRP 78 -4.085 7.532 1.954 650 HE3 TRP 78 HE3 TRP 78 -1.180 5.475 5.945 651 HZ2 TRP 78 HZ2 TRP 78 -4.645 8.731 4.445 652 HZ3 TRP 78 HZ3 TRP 78 -2.268 7.007 7.538 653 HH2 TRP 78 HH2 TRP 78 -3.965 8.601 6.800 654 H LEU 79 H LEU 79 1.543 3.558 1.477 655 HA LEU 79 HA LEU 79 2.196 1.138 2.747 656 HB2 LEU 79 HB2 LEU 79 3.278 2.354 0.206 657 HB3 LEU 79 HB3 LEU 79 3.550 0.696 0.706 658 HG LEU 79 HG LEU 79 0.854 1.904 0.080 659 HD11 LEU 79 HD11 LEU 79 0.928 0.508 -1.921 660 HD12 LEU 79 HD12 LEU 79 2.554 -0.025 -1.500 661 HD13 LEU 79 HD13 LEU 79 2.260 1.664 -1.909 662 HD21 LEU 79 HD21 LEU 79 1.663 -0.939 0.688 663 HD22 LEU 79 HD22 LEU 79 0.051 -0.399 0.215 664 HD23 LEU 79 HD23 LEU 79 0.742 0.126 1.751 665 H LYS 80 H LYS 80 4.177 3.978 1.985 666 HA LYS 80 HA LYS 80 6.663 2.890 2.577 667 HB2 LYS 80 HB2 LYS 80 6.179 5.008 1.338 668 HB3 LYS 80 HB3 LYS 80 5.785 5.768 2.873 669 HG2 LYS 80 HG2 LYS 80 8.418 4.452 2.674 670 HG3 LYS 80 HG3 LYS 80 8.185 5.928 1.738 671 HD2 LYS 80 HD2 LYS 80 7.555 5.698 4.671 672 HD3 LYS 80 HD3 LYS 80 9.097 6.249 4.041 673 HE2 LYS 80 HE2 LYS 80 7.834 8.006 2.757 674 HE3 LYS 80 HE3 LYS 80 6.405 7.525 3.668 675 HZ1 LYS 80 HZ1 LYS 80 7.361 9.383 4.754 676 HZ2 LYS 80 HZ2 LYS 80 8.910 8.703 4.736 677 HZ3 LYS 80 HZ3 LYS 80 7.705 8.035 5.724 678 H ARG 81 H ARG 81 4.289 4.494 4.638 679 HA ARG 81 HA ARG 81 5.901 4.412 7.002 680 HB2 ARG 81 HB2 ARG 81 2.892 4.598 6.749 681 HB3 ARG 81 HB3 ARG 81 3.830 4.940 8.195 682 HG2 ARG 81 HG2 ARG 81 4.858 6.846 7.113 683 HG3 ARG 81 HG3 ARG 81 3.999 6.477 5.612 684 HD2 ARG 81 HD2 ARG 81 1.860 6.769 6.796 685 HD3 ARG 81 HD3 ARG 81 2.745 7.204 8.256 686 HE ARG 81 HE ARG 81 3.518 8.876 6.096 687 HH11 ARG 81 HH11 ARG 81 0.901 8.309 8.359 688 HH12 ARG 81 HH12 ARG 81 0.311 9.936 8.282 689 HH21 ARG 81 HH21 ARG 81 2.734 11.017 5.982 690 HH22 ARG 81 HH22 ARG 81 1.340 11.479 6.933 691 H MET 82 H MET 82 3.395 2.402 5.596 692 HA MET 82 HA MET 82 2.916 0.696 7.759 693 HB2 MET 82 HB2 MET 82 1.476 0.964 5.749 694 HB3 MET 82 HB3 MET 82 2.666 0.072 4.813 695 HG2 MET 82 HG2 MET 82 2.317 -1.871 6.291 696 HG3 MET 82 HG3 MET 82 1.056 -0.970 7.130 697 HE1 MET 82 HE1 MET 82 -0.183 0.628 4.551 698 HE2 MET 82 HE2 MET 82 -1.137 -0.044 5.874 699 HE3 MET 82 HE3 MET 82 -1.546 -0.438 4.205 700 H PHE 83 H PHE 83 5.024 0.213 4.918 701 HA PHE 83 HA PHE 83 5.951 -2.323 5.806 702 HB2 PHE 83 HB2 PHE 83 7.085 -0.413 3.756 703 HB3 PHE 83 HB3 PHE 83 7.706 -2.038 4.042 704 HD1 PHE 83 HD1 PHE 83 5.634 -3.831 4.148 705 HD2 PHE 83 HD2 PHE 83 5.771 -0.222 1.893 706 HE1 PHE 83 HE1 PHE 83 3.971 -4.750 2.587 707 HE2 PHE 83 HE2 PHE 83 4.106 -1.134 0.326 708 HZ PHE 83 HZ PHE 83 3.204 -3.401 0.672 709 H ASN 84 H ASN 84 7.103 0.966 6.225 710 HA ASN 84 HA ASN 84 9.638 0.364 7.293 711 HB2 ASN 84 HB2 ASN 84 9.021 2.627 6.574 712 HB3 ASN 84 HB3 ASN 84 7.837 2.728 7.872 713 HD21 ASN 84 HD21 ASN 84 8.505 3.181 9.928 714 HD22 ASN 84 HD22 ASN 84 10.132 3.616 10.329 715 H TYR 85 H TYR 85 6.437 0.483 8.715 716 HA TYR 85 HA TYR 85 7.199 0.228 11.422 717 HB2 TYR 85 HB2 TYR 85 4.938 0.852 10.911 718 HB3 TYR 85 HB3 TYR 85 4.694 -0.591 9.936 719 HD1 TYR 85 HD1 TYR 85 5.311 0.532 13.434 720 HD2 TYR 85 HD2 TYR 85 3.793 -2.525 10.892 721 HE1 TYR 85 HE1 TYR 85 4.391 -0.637 15.395 722 HE2 TYR 85 HE2 TYR 85 2.877 -3.701 12.844 723 HH TYR 85 HH TYR 85 2.636 -2.270 15.914 724 H ALA 86 H ALA 86 6.474 -2.183 8.922 725 HA ALA 86 HA ALA 86 6.827 -4.442 10.591 726 HB1 ALA 86 HB1 ALA 86 7.169 -4.271 7.596 727 HB2 ALA 86 HB2 ALA 86 5.636 -4.515 8.433 728 HB3 ALA 86 HB3 ALA 86 6.905 -5.735 8.544 729 H ILE 87 H ILE 87 9.036 -2.412 8.824 730 HA ILE 87 HA ILE 87 11.296 -4.141 9.031 731 HB ILE 87 HB ILE 87 11.169 -1.149 8.597 732 HG12 ILE 87 HG12 ILE 87 11.584 -3.423 6.643 733 HG13 ILE 87 HG13 ILE 87 10.087 -2.519 6.844 734 HG21 ILE 87 HG21 ILE 87 13.479 -1.355 7.791 735 HG22 ILE 87 HG22 ILE 87 13.486 -3.055 8.263 736 HG23 ILE 87 HG23 ILE 87 13.336 -1.799 9.492 737 HD11 ILE 87 HD11 ILE 87 11.222 -0.483 6.122 738 HD12 ILE 87 HD12 ILE 87 11.314 -1.754 4.903 739 HD13 ILE 87 HD13 ILE 87 12.717 -1.396 5.908 740 H LYS 88 H LYS 88 10.152 -1.336 10.925 741 HA LYS 88 HA LYS 88 12.402 -1.309 12.637 742 HB2 LYS 88 HB2 LYS 88 11.209 0.248 14.025 743 HB3 LYS 88 HB3 LYS 88 10.946 0.657 12.338 744 HG2 LYS 88 HG2 LYS 88 8.732 -0.181 12.391 745 HG3 LYS 88 HG3 LYS 88 8.989 -0.942 13.961 746 HD2 LYS 88 HD2 LYS 88 7.694 1.112 14.191 747 HD3 LYS 88 HD3 LYS 88 9.261 1.259 14.989 748 HE2 LYS 88 HE2 LYS 88 10.108 2.408 12.942 749 HE3 LYS 88 HE3 LYS 88 8.462 2.387 12.313 750 HZ1 LYS 88 HZ1 LYS 88 7.774 3.662 14.290 751 HZ2 LYS 88 HZ2 LYS 88 8.910 4.497 13.342 752 HZ3 LYS 88 HZ3 LYS 88 9.395 3.749 14.787 753 H ARG 89 H ARG 89 9.351 -3.044 12.805 754 HA ARG 89 HA ARG 89 10.036 -4.044 15.454 755 HB2 ARG 89 HB2 ARG 89 7.888 -5.235 15.366 756 HB3 ARG 89 HB3 ARG 89 7.708 -3.516 15.070 757 HG2 ARG 89 HG2 ARG 89 6.343 -4.286 13.453 758 HG3 ARG 89 HG3 ARG 89 7.857 -4.339 12.548 759 HD2 ARG 89 HD2 ARG 89 6.528 -6.395 12.300 760 HD3 ARG 89 HD3 ARG 89 8.103 -6.692 13.035 761 HE ARG 89 HE ARG 89 7.005 -6.951 15.159 762 HH11 ARG 89 HH11 ARG 89 4.847 -6.834 12.386 763 HH12 ARG 89 HH12 ARG 89 3.563 -7.663 13.207 764 HH21 ARG 89 HH21 ARG 89 5.293 -8.042 16.211 765 HH22 ARG 89 HH22 ARG 89 3.814 -8.347 15.351 766 H HIS 90 H HIS 90 11.193 -4.629 12.594 767 HA HIS 90 HA HIS 90 12.590 -6.175 11.777 768 HB2 HIS 90 HB2 HIS 90 13.334 -6.205 14.185 769 HB3 HIS 90 HB3 HIS 90 12.341 -7.644 14.399 770 HD1 HIS 90 HD1 HIS 90 14.321 -9.182 14.872 771 HD2 HIS 90 HD2 HIS 90 14.595 -7.217 11.220 772 HE1 HIS 90 HE1 HIS 90 16.217 -10.291 13.646 773 HE2 HIS 90 HE2 HIS 90 16.529 -8.897 11.568 774 H ILE 91 H ILE 91 10.662 -6.650 10.409 775 HA ILE 91 HA ILE 91 10.423 -9.589 10.443 776 HB ILE 91 HB ILE 91 8.384 -7.610 9.399 777 HG12 ILE 91 HG12 ILE 91 8.233 -9.803 11.482 778 HG13 ILE 91 HG13 ILE 91 8.181 -8.068 11.783 779 HG21 ILE 91 HG21 ILE 91 8.674 -9.394 7.768 780 HG22 ILE 91 HG22 ILE 91 7.115 -9.543 8.579 781 HG23 ILE 91 HG23 ILE 91 8.451 -10.606 9.029 782 HD11 ILE 91 HD11 ILE 91 6.067 -7.929 10.569 783 HD12 ILE 91 HD12 ILE 91 5.971 -9.044 11.932 784 HD13 ILE 91 HD13 ILE 91 6.116 -9.669 10.289 785 H ILE 92 H ILE 92 10.037 -6.841 8.217 786 HA ILE 92 HA ILE 92 11.751 -8.250 6.292 787 HB ILE 92 HB ILE 92 10.889 -6.646 4.610 788 HG12 ILE 92 HG12 ILE 92 8.971 -5.820 6.803 789 HG13 ILE 92 HG13 ILE 92 10.292 -4.832 6.185 790 HG21 ILE 92 HG21 ILE 92 8.671 -7.658 4.391 791 HG22 ILE 92 HG22 ILE 92 8.780 -8.244 6.052 792 HG23 ILE 92 HG23 ILE 92 9.897 -8.849 4.828 793 HD11 ILE 92 HD11 ILE 92 7.941 -5.793 4.571 794 HD12 ILE 92 HD12 ILE 92 9.235 -4.731 4.014 795 HD13 ILE 92 HD13 ILE 92 8.122 -4.183 5.266 796 H GLU 93 H GLU 93 13.097 -6.693 4.930 797 HA GLU 93 HA GLU 93 14.190 -4.562 6.648 798 HB2 GLU 93 HB2 GLU 93 15.593 -6.639 6.611 799 HB3 GLU 93 HB3 GLU 93 15.801 -6.416 4.882 800 HG2 GLU 93 HG2 GLU 93 17.008 -4.382 5.221 801 HG3 GLU 93 HG3 GLU 93 16.641 -4.398 6.946 802 H TYR 94 H TYR 94 12.805 -5.399 3.736 803 HA TYR 94 HA TYR 94 14.002 -3.113 2.327 804 HB2 TYR 94 HB2 TYR 94 12.583 -5.562 1.269 805 HB3 TYR 94 HB3 TYR 94 12.999 -4.174 0.270 806 HD1 TYR 94 HD1 TYR 94 14.455 -6.863 2.375 807 HD2 TYR 94 HD2 TYR 94 15.158 -3.930 -0.622 808 HE1 TYR 94 HE1 TYR 94 16.686 -7.812 1.979 809 HE2 TYR 94 HE2 TYR 94 17.389 -4.874 -1.028 810 HH TYR 94 HH TYR 94 18.389 -7.896 0.305 811 H ASN 95 H ASN 95 12.822 -1.361 2.072 812 HA ASN 95 HA ASN 95 9.945 -1.446 2.496 813 HB2 ASN 95 HB2 ASN 95 11.511 0.172 3.693 814 HB3 ASN 95 HB3 ASN 95 11.698 0.980 2.141 815 HD21 ASN 95 HD21 ASN 95 10.611 1.936 4.627 816 HD22 ASN 95 HD22 ASN 95 8.997 2.431 4.282 817 HA PRO 96 HA PRO 96 10.164 -1.683 -2.100 818 HB2 PRO 96 HB2 PRO 96 7.448 -2.162 -2.342 819 HB3 PRO 96 HB3 PRO 96 8.686 -3.409 -2.160 820 HG2 PRO 96 HG2 PRO 96 6.906 -2.185 -0.092 821 HG3 PRO 96 HG3 PRO 96 7.394 -3.880 -0.293 822 HD2 PRO 96 HD2 PRO 96 8.526 -2.335 1.567 823 HD3 PRO 96 HD3 PRO 96 9.487 -3.518 0.654 824 H ALA 97 H ALA 97 8.101 0.279 -0.069 825 HA ALA 97 HA ALA 97 7.146 1.873 -2.293 826 HB1 ALA 97 HB1 ALA 97 5.879 3.105 -0.642 827 HB2 ALA 97 HB2 ALA 97 6.748 2.297 0.663 828 HB3 ALA 97 HB3 ALA 97 5.677 1.371 -0.387 829 H ALA 98 H ALA 98 9.801 1.884 -0.149 830 HA ALA 98 HA ALA 98 10.257 4.723 -0.162 831 HB1 ALA 98 HB1 ALA 98 11.035 3.336 1.695 832 HB2 ALA 98 HB2 ALA 98 12.375 4.187 0.925 833 HB3 ALA 98 HB3 ALA 98 12.116 2.474 0.600 834 H ALA 99 H ALA 99 10.749 2.229 -2.373 835 HA ALA 99 HA ALA 99 13.079 3.273 -3.677 836 HB1 ALA 99 HB1 ALA 99 11.004 1.333 -4.698 837 HB2 ALA 99 HB2 ALA 99 12.469 0.902 -3.818 838 HB3 ALA 99 HB3 ALA 99 12.588 1.636 -5.416 839 H PHE 100 H PHE 100 9.867 4.199 -3.521 840 HA PHE 100 HA PHE 100 10.087 5.755 -6.012 841 HB2 PHE 100 HB2 PHE 100 7.595 4.878 -4.532 842 HB3 PHE 100 HB3 PHE 100 7.618 5.883 -5.977 843 HD1 PHE 100 HD1 PHE 100 8.187 2.507 -4.653 844 HD2 PHE 100 HD2 PHE 100 7.968 4.940 -8.138 845 HE1 PHE 100 HE1 PHE 100 8.106 0.485 -6.055 846 HE2 PHE 100 HE2 PHE 100 7.888 2.926 -9.544 847 HZ PHE 100 HZ PHE 100 7.957 0.694 -8.506 848 H ASP 101 H ASP 101 8.512 7.791 -5.730 849 HA ASP 101 HA ASP 101 9.216 9.016 -3.150 850 HB2 ASP 101 HB2 ASP 101 9.013 10.248 -5.898 851 HB3 ASP 101 HB3 ASP 101 9.011 11.217 -4.428 852 HA PRO 102 HA PRO 102 4.679 9.027 -2.993 853 HB2 PRO 102 HB2 PRO 102 5.051 8.893 -0.120 854 HB3 PRO 102 HB3 PRO 102 4.319 7.702 -1.196 855 HG2 PRO 102 HG2 PRO 102 6.690 7.303 0.086 856 HG3 PRO 102 HG3 PRO 102 6.280 6.551 -1.466 857 HD2 PRO 102 HD2 PRO 102 7.973 8.958 -0.915 858 HD3 PRO 102 HD3 PRO 102 8.241 7.632 -2.069 859 H GLY 103 H GLY 103 7.149 10.969 -1.583 860 HA2 GLY 103 HA2 GLY 103 7.178 13.200 -1.006 861 HA3 GLY 103 HA3 GLY 103 5.524 13.324 -1.594 862 H ASP 104 H ASP 104 6.735 11.165 0.911 863 HA ASP 104 HA ASP 104 4.923 12.515 2.799 864 HB2 ASP 104 HB2 ASP 104 4.234 10.218 2.285 865 HB3 ASP 104 HB3 ASP 104 5.823 9.625 2.766 866 H ALA 105 H ALA 105 6.440 13.987 3.516 867 HA ALA 105 HA ALA 105 8.336 12.942 5.455 868 HB1 ALA 105 HB1 ALA 105 9.651 13.067 3.387 869 HB2 ALA 105 HB2 ALA 105 10.206 14.251 4.574 870 HB3 ALA 105 HB3 ALA 105 9.208 14.765 3.214 871 H GLY 106 H GLY 106 5.818 14.458 5.441 872 HA2 GLY 106 HA2 GLY 106 6.348 17.213 5.915 873 HA3 GLY 106 HA3 GLY 106 4.868 16.353 6.318 874 H GLY 107 H GLY 107 6.179 18.348 7.893 875 HA2 GLY 107 HA2 GLY 107 7.416 16.902 10.100 876 HA3 GLY 107 HA3 GLY 107 7.252 18.647 9.957 877 H LYS 108 H LYS 108 4.332 17.523 9.140 878 HA LYS 108 HA LYS 108 3.139 18.139 11.655 879 HB2 LYS 108 HB2 LYS 108 2.165 18.753 9.455 880 HB3 LYS 108 HB3 LYS 108 1.964 17.051 9.082 881 HG2 LYS 108 HG2 LYS 108 0.650 18.292 11.466 882 HG3 LYS 108 HG3 LYS 108 -0.071 18.371 9.858 883 HD2 LYS 108 HD2 LYS 108 0.627 15.892 11.419 884 HD3 LYS 108 HD3 LYS 108 -0.976 16.496 11.039 885 HE2 LYS 108 HE2 LYS 108 1.057 15.521 9.051 886 HE3 LYS 108 HE3 LYS 108 -0.366 14.634 9.587 887 HZ1 LYS 108 HZ1 LYS 108 -0.943 15.595 7.545 888 HZ2 LYS 108 HZ2 LYS 108 -0.246 17.088 7.933 889 HZ3 LYS 108 HZ3 LYS 108 -1.678 16.594 8.700 890 H LEU 109 H LEU 109 3.247 16.718 13.243 891 HA LEU 109 HA LEU 109 2.400 13.990 12.915 892 HB2 LEU 109 HB2 LEU 109 4.804 14.023 12.138 893 HB3 LEU 109 HB3 LEU 109 5.254 14.496 13.764 894 HG LEU 109 HG LEU 109 4.308 12.367 14.618 895 HD11 LEU 109 HD11 LEU 109 3.788 10.584 13.014 896 HD12 LEU 109 HD12 LEU 109 3.954 11.740 11.691 897 HD13 LEU 109 HD13 LEU 109 2.667 11.941 12.881 898 HD21 LEU 109 HD21 LEU 109 6.376 12.063 12.445 899 HD22 LEU 109 HD22 LEU 109 6.084 10.926 13.761 900 HD23 LEU 109 HD23 LEU 109 6.687 12.546 14.113 901 H GLU 110 H GLU 110 1.774 16.413 14.438 902 HA GLU 110 HA GLU 110 2.671 16.256 17.097 903 HB2 GLU 110 HB2 GLU 110 1.292 18.096 15.761 904 HB3 GLU 110 HB3 GLU 110 -0.075 17.266 16.487 905 HG2 GLU 110 HG2 GLU 110 2.235 18.444 18.017 906 HG3 GLU 110 HG3 GLU 110 0.682 19.233 17.764 907 H HIS 111 H HIS 111 2.320 14.755 18.537 908 HA HIS 111 HA HIS 111 -0.165 13.192 18.391 909 HB2 HIS 111 HB2 HIS 111 1.197 11.294 19.405 910 HB3 HIS 111 HB3 HIS 111 1.513 11.668 17.717 911 HD1 HIS 111 HD1 HIS 111 3.788 12.968 17.214 912 HD2 HIS 111 HD2 HIS 111 3.373 11.470 21.077 913 HE1 HIS 111 HE1 HIS 111 6.104 12.982 18.207 914 HE2 HIS 111 HE2 HIS 111 5.830 12.083 20.550 915 H HIS 112 H HIS 112 -1.350 14.100 19.899 916 HA HIS 112 HA HIS 112 -0.410 15.403 22.190 917 HB2 HIS 112 HB2 HIS 112 -2.632 15.756 21.113 918 HB3 HIS 112 HB3 HIS 112 -3.152 14.202 21.748 919 HD1 HIS 112 HD1 HIS 112 -2.453 17.730 22.754 920 HD2 HIS 112 HD2 HIS 112 -3.787 14.188 24.484 921 HE1 HIS 112 HE1 HIS 112 -3.365 18.373 25.010 922 HE2 HIS 112 HE2 HIS 112 -3.998 16.193 26.107 923 H HIS 113 H HIS 113 -2.304 12.383 22.130 924 HA HIS 113 HA HIS 113 -0.555 11.268 24.193 925 HB2 HIS 113 HB2 HIS 113 -2.484 12.368 25.344 926 HB3 HIS 113 HB3 HIS 113 -3.578 11.333 24.436 927 HD1 HIS 113 HD1 HIS 113 -4.166 9.161 25.489 928 HD2 HIS 113 HD2 HIS 113 -0.732 10.832 27.140 929 HE1 HIS 113 HE1 HIS 113 -3.548 7.676 27.428 930 HE2 HIS 113 HE2 HIS 113 -1.361 8.600 28.285 931 H HIS 114 H HIS 114 -0.688 8.938 24.310 932 HA HIS 114 HA HIS 114 -0.981 7.623 21.862 933 HB2 HIS 114 HB2 HIS 114 0.386 6.778 23.741 934 HB3 HIS 114 HB3 HIS 114 -1.084 6.432 24.642 935 HD1 HIS 114 HD1 HIS 114 -2.252 4.247 24.180 936 HD2 HIS 114 HD2 HIS 114 0.813 5.047 21.481 937 HE1 HIS 114 HE1 HIS 114 -1.918 2.125 22.884 938 HE2 HIS 114 HE2 HIS 114 0.109 2.551 21.452 939 H HIS 115 H HIS 115 -2.795 7.340 20.769 940 HA HIS 115 HA HIS 115 -5.329 7.131 22.201 941 HB2 HIS 115 HB2 HIS 115 -6.392 7.396 19.995 942 HB3 HIS 115 HB3 HIS 115 -5.272 8.706 20.339 943 HD1 HIS 115 HD1 HIS 115 -3.517 9.172 18.607 944 HD2 HIS 115 HD2 HIS 115 -5.341 5.467 18.073 945 HE1 HIS 115 HE1 HIS 115 -2.672 8.304 16.403 946 HE2 HIS 115 HE2 HIS 115 -3.941 6.161 16.014 947 H HIS 116 H HIS 116 -6.772 5.405 21.921 948 HA HIS 116 HA HIS 116 -5.919 3.067 20.442 949 HB2 HIS 116 HB2 HIS 116 -4.697 2.866 22.591 950 HB3 HIS 116 HB3 HIS 116 -6.230 2.945 23.452 951 HD1 HIS 116 HD1 HIS 116 -7.508 0.803 23.736 952 HD2 HIS 116 HD2 HIS 116 -4.344 0.459 21.053 953 HE1 HIS 116 HE1 HIS 116 -7.293 -1.654 23.240 954 HE2 HIS 116 HE2 HIS 116 -5.241 -1.851 21.796 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -2.258 -10.452 15.201 2 H2 MET 1 H2 MET 1 -3.728 -9.686 15.543 3 H3 MET 1 H3 MET 1 -2.893 -9.297 14.125 4 HA MET 1 HA MET 1 -4.096 -11.928 14.769 5 HB2 MET 1 HB2 MET 1 -5.658 -9.985 14.217 6 HB3 MET 1 HB3 MET 1 -4.942 -9.988 12.613 7 HG2 MET 1 HG2 MET 1 -5.691 -12.279 12.271 8 HG3 MET 1 HG3 MET 1 -6.378 -12.301 13.893 9 HE1 MET 1 HE1 MET 1 -9.598 -12.250 11.702 10 HE2 MET 1 HE2 MET 1 -8.758 -13.027 13.043 11 HE3 MET 1 HE3 MET 1 -8.097 -13.130 11.410 12 H ALA 2 H ALA 2 -1.331 -11.032 13.840 13 HA ALA 2 HA ALA 2 -1.295 -12.197 11.142 14 HB1 ALA 2 HB1 ALA 2 0.952 -11.259 10.963 15 HB2 ALA 2 HB2 ALA 2 0.853 -10.684 12.628 16 HB3 ALA 2 HB3 ALA 2 -0.220 -10.013 11.399 17 H GLU 3 H GLU 3 -1.320 -13.369 14.048 18 HA GLU 3 HA GLU 3 1.164 -14.771 14.283 19 HB2 GLU 3 HB2 GLU 3 -1.398 -15.375 15.760 20 HB3 GLU 3 HB3 GLU 3 0.241 -15.741 16.268 21 HG2 GLU 3 HG2 GLU 3 -0.493 -13.921 17.585 22 HG3 GLU 3 HG3 GLU 3 0.641 -13.258 16.410 23 H LYS 4 H LYS 4 -1.225 -15.163 12.169 24 HA LYS 4 HA LYS 4 -1.760 -17.948 12.243 25 HB2 LYS 4 HB2 LYS 4 -2.664 -17.620 9.989 26 HB3 LYS 4 HB3 LYS 4 -3.231 -16.364 11.081 27 HG2 LYS 4 HG2 LYS 4 -1.544 -14.828 10.169 28 HG3 LYS 4 HG3 LYS 4 -1.026 -16.087 9.049 29 HD2 LYS 4 HD2 LYS 4 -2.497 -14.625 7.868 30 HD3 LYS 4 HD3 LYS 4 -3.359 -16.138 8.151 31 HE2 LYS 4 HE2 LYS 4 -4.488 -15.117 10.079 32 HE3 LYS 4 HE3 LYS 4 -3.647 -13.599 9.759 33 HZ1 LYS 4 HZ1 LYS 4 -4.721 -13.630 7.524 34 HZ2 LYS 4 HZ2 LYS 4 -5.801 -13.442 8.816 35 HZ3 LYS 4 HZ3 LYS 4 -5.659 -14.944 8.043 36 H ASN 5 H ASN 5 0.778 -15.975 11.011 37 HA ASN 5 HA ASN 5 2.552 -18.158 10.642 38 HB2 ASN 5 HB2 ASN 5 1.298 -18.429 8.527 39 HB3 ASN 5 HB3 ASN 5 1.636 -16.751 8.113 40 HD21 ASN 5 HD21 ASN 5 2.774 -17.175 6.273 41 HD22 ASN 5 HD22 ASN 5 4.314 -17.966 6.259 42 H ALA 6 H ALA 6 2.091 -15.065 8.994 43 HA ALA 6 HA ALA 6 4.005 -13.731 10.691 44 HB1 ALA 6 HB1 ALA 6 5.473 -14.777 9.029 45 HB2 ALA 6 HB2 ALA 6 5.451 -13.023 8.839 46 HB3 ALA 6 HB3 ALA 6 4.531 -14.043 7.733 47 H TYR 7 H TYR 7 4.191 -11.364 9.890 48 HA TYR 7 HA TYR 7 1.564 -10.354 9.462 49 HB2 TYR 7 HB2 TYR 7 3.997 -9.316 10.384 50 HB3 TYR 7 HB3 TYR 7 3.633 -8.404 8.922 51 HD1 TYR 7 HD1 TYR 7 0.591 -8.488 9.175 52 HD2 TYR 7 HD2 TYR 7 3.660 -7.613 11.988 53 HE1 TYR 7 HE1 TYR 7 -0.978 -7.082 10.445 54 HE2 TYR 7 HE2 TYR 7 2.103 -6.205 13.260 55 HH TYR 7 HH TYR 7 -1.231 -6.235 12.780 56 H THR 8 H THR 8 0.958 -11.356 7.507 57 HA THR 8 HA THR 8 2.265 -10.898 5.029 58 HB THR 8 HB THR 8 -0.692 -11.413 5.266 59 HG1 THR 8 HG1 THR 8 -0.291 -13.185 6.354 60 HG21 THR 8 HG21 THR 8 -0.251 -12.879 3.344 61 HG22 THR 8 HG22 THR 8 1.461 -12.463 3.429 62 HG23 THR 8 HG23 THR 8 0.272 -11.223 3.033 63 H VAL 9 H VAL 9 1.560 -9.454 3.305 64 HA VAL 9 HA VAL 9 1.245 -6.826 4.181 65 HB VAL 9 HB VAL 9 2.300 -7.290 2.062 66 HG11 VAL 9 HG11 VAL 9 1.022 -9.214 1.351 67 HG12 VAL 9 HG12 VAL 9 1.021 -7.984 0.087 68 HG13 VAL 9 HG13 VAL 9 -0.404 -8.207 1.103 69 HG21 VAL 9 HG21 VAL 9 -0.222 -5.682 1.689 70 HG22 VAL 9 HG22 VAL 9 1.199 -5.616 0.649 71 HG23 VAL 9 HG23 VAL 9 1.311 -5.092 2.328 72 H ALA 10 H ALA 10 -1.186 -9.068 2.881 73 HA ALA 10 HA ALA 10 -3.335 -7.262 2.802 74 HB1 ALA 10 HB1 ALA 10 -3.368 -9.473 1.725 75 HB2 ALA 10 HB2 ALA 10 -4.776 -9.207 2.751 76 HB3 ALA 10 HB3 ALA 10 -3.455 -10.230 3.315 77 H GLN 11 H GLN 11 -1.985 -9.172 5.403 78 HA GLN 11 HA GLN 11 -4.167 -8.660 7.209 79 HB2 GLN 11 HB2 GLN 11 -2.881 -10.755 7.312 80 HB3 GLN 11 HB3 GLN 11 -1.428 -9.846 7.702 81 HG2 GLN 11 HG2 GLN 11 -2.336 -10.847 9.689 82 HG3 GLN 11 HG3 GLN 11 -2.478 -9.093 9.788 83 HE21 GLN 11 HE21 GLN 11 -4.511 -8.144 9.714 84 HE22 GLN 11 HE22 GLN 11 -5.963 -9.063 9.916 85 H LEU 12 H LEU 12 -0.907 -7.466 6.664 86 HA LEU 12 HA LEU 12 -0.634 -5.940 9.008 87 HB2 LEU 12 HB2 LEU 12 1.057 -6.634 7.083 88 HB3 LEU 12 HB3 LEU 12 0.630 -5.057 6.450 89 HG LEU 12 HG LEU 12 1.766 -5.524 9.211 90 HD11 LEU 12 HD11 LEU 12 3.373 -6.150 7.500 91 HD12 LEU 12 HD12 LEU 12 3.856 -4.654 8.299 92 HD13 LEU 12 HD13 LEU 12 3.133 -4.601 6.691 93 HD21 LEU 12 HD21 LEU 12 1.403 -2.987 7.616 94 HD22 LEU 12 HD22 LEU 12 2.171 -3.115 9.198 95 HD23 LEU 12 HD23 LEU 12 0.452 -3.469 9.023 96 H ALA 13 H ALA 13 -1.567 -4.963 5.714 97 HA ALA 13 HA ALA 13 -2.064 -2.268 6.344 98 HB1 ALA 13 HB1 ALA 13 -3.249 -3.920 4.118 99 HB2 ALA 13 HB2 ALA 13 -1.697 -3.083 4.065 100 HB3 ALA 13 HB3 ALA 13 -3.193 -2.158 4.196 101 H ASP 14 H ASP 14 -4.118 -5.119 6.431 102 HA ASP 14 HA ASP 14 -6.576 -3.730 6.668 103 HB2 ASP 14 HB2 ASP 14 -5.927 -6.310 6.188 104 HB3 ASP 14 HB3 ASP 14 -6.381 -6.418 7.888 105 H GLU 15 H GLU 15 -4.381 -5.194 9.031 106 HA GLU 15 HA GLU 15 -5.983 -4.499 11.292 107 HB2 GLU 15 HB2 GLU 15 -4.166 -6.351 11.058 108 HB3 GLU 15 HB3 GLU 15 -3.029 -5.060 11.428 109 HG2 GLU 15 HG2 GLU 15 -4.261 -4.628 13.525 110 HG3 GLU 15 HG3 GLU 15 -5.303 -6.001 13.161 111 H TYR 16 H TYR 16 -3.433 -3.000 9.476 112 HA TYR 16 HA TYR 16 -2.578 -0.987 11.207 113 HB2 TYR 16 HB2 TYR 16 -1.682 -1.694 8.904 114 HB3 TYR 16 HB3 TYR 16 -2.915 -0.640 8.230 115 HD1 TYR 16 HD1 TYR 16 0.129 -0.727 10.315 116 HD2 TYR 16 HD2 TYR 16 -2.600 1.718 8.151 117 HE1 TYR 16 HE1 TYR 16 1.686 1.165 10.500 118 HE2 TYR 16 HE2 TYR 16 -1.050 3.621 8.335 119 HH TYR 16 HH TYR 16 2.186 3.250 9.384 120 H PHE 17 H PHE 17 -5.387 -1.196 9.123 121 HA PHE 17 HA PHE 17 -6.316 1.416 9.134 122 HB2 PHE 17 HB2 PHE 17 -7.335 -0.314 7.769 123 HB3 PHE 17 HB3 PHE 17 -7.858 -1.188 9.201 124 HD1 PHE 17 HD2 PHE 17 -9.768 -0.413 10.504 125 HD2 PHE 17 HD1 PHE 17 -8.515 1.633 6.988 126 HE1 PHE 17 HE2 PHE 17 -11.914 0.782 10.441 127 HE2 PHE 17 HE1 PHE 17 -10.663 2.831 6.922 128 HZ PHE 17 HZ PHE 17 -12.367 2.406 8.648 129 H GLU 18 H GLU 18 -6.848 -1.143 11.507 130 HA GLU 18 HA GLU 18 -8.674 0.275 13.127 131 HB2 GLU 18 HB2 GLU 18 -6.894 -2.096 13.682 132 HB3 GLU 18 HB3 GLU 18 -8.070 -1.486 14.836 133 HG2 GLU 18 HG2 GLU 18 -8.728 -2.467 12.068 134 HG3 GLU 18 HG3 GLU 18 -8.876 -3.420 13.544 135 H ARG 19 H ARG 19 -5.273 0.485 12.828 136 HA ARG 19 HA ARG 19 -4.872 1.337 15.577 137 HB2 ARG 19 HB2 ARG 19 -2.823 1.292 13.366 138 HB3 ARG 19 HB3 ARG 19 -2.536 1.300 15.100 139 HG2 ARG 19 HG2 ARG 19 -3.758 -0.955 13.522 140 HG3 ARG 19 HG3 ARG 19 -2.106 -0.885 14.134 141 HD2 ARG 19 HD2 ARG 19 -2.982 -0.785 16.430 142 HD3 ARG 19 HD3 ARG 19 -4.624 -0.902 15.795 143 HE ARG 19 HE ARG 19 -3.173 -3.067 14.804 144 HH11 ARG 19 HH11 ARG 19 -4.382 -1.885 17.876 145 HH12 ARG 19 HH12 ARG 19 -4.438 -3.471 18.595 146 HH21 ARG 19 HH21 ARG 19 -3.271 -5.151 15.748 147 HH22 ARG 19 HH22 ARG 19 -3.831 -5.311 17.388 148 H MET 20 H MET 20 -4.193 2.704 12.344 149 HA MET 20 HA MET 20 -3.612 5.270 13.564 150 HB2 MET 20 HB2 MET 20 -3.314 4.147 10.805 151 HB3 MET 20 HB3 MET 20 -3.193 5.878 11.075 152 HG2 MET 20 HG2 MET 20 -1.008 4.867 11.040 153 HG3 MET 20 HG3 MET 20 -1.355 5.516 12.635 154 HE1 MET 20 HE1 MET 20 1.062 3.575 12.171 155 HE2 MET 20 HE2 MET 20 0.877 2.460 13.526 156 HE3 MET 20 HE3 MET 20 0.596 4.183 13.762 157 H ILE 21 H ILE 21 -6.343 3.817 12.180 158 HA ILE 21 HA ILE 21 -7.501 6.444 11.484 159 HB ILE 21 HB ILE 21 -8.507 3.752 10.545 160 HG12 ILE 21 HG12 ILE 21 -6.597 5.679 9.198 161 HG13 ILE 21 HG13 ILE 21 -6.198 4.073 9.792 162 HG21 ILE 21 HG21 ILE 21 -8.976 6.571 9.559 163 HG22 ILE 21 HG22 ILE 21 -10.142 5.556 10.408 164 HG23 ILE 21 HG23 ILE 21 -9.597 5.108 8.792 165 HD11 ILE 21 HD11 ILE 21 -7.669 3.086 8.136 166 HD12 ILE 21 HD12 ILE 21 -6.450 4.111 7.378 167 HD13 ILE 21 HD13 ILE 21 -8.107 4.689 7.555 168 H ALA 22 H ALA 22 -7.280 5.078 14.140 169 HA ALA 22 HA ALA 22 -10.148 5.149 14.820 170 HB1 ALA 22 HB1 ALA 22 -9.098 3.014 15.375 171 HB2 ALA 22 HB2 ALA 22 -9.586 3.879 16.832 172 HB3 ALA 22 HB3 ALA 22 -7.890 3.853 16.350 173 H GLY 23 H GLY 23 -10.842 6.778 16.066 174 HA2 GLY 23 HA2 GLY 23 -10.077 8.102 18.145 175 HA3 GLY 23 HA3 GLY 23 -8.813 8.664 17.060 176 H ARG 24 H ARG 24 -9.414 9.928 15.226 177 HA ARG 24 HA ARG 24 -12.136 10.909 15.051 178 HB2 ARG 24 HB2 ARG 24 -10.821 12.335 16.746 179 HB3 ARG 24 HB3 ARG 24 -9.872 12.883 15.375 180 HG2 ARG 24 HG2 ARG 24 -12.862 13.167 15.502 181 HG3 ARG 24 HG3 ARG 24 -11.749 14.388 16.111 182 HD2 ARG 24 HD2 ARG 24 -10.763 14.620 13.894 183 HD3 ARG 24 HD3 ARG 24 -11.832 13.363 13.277 184 HE ARG 24 HE ARG 24 -13.224 15.582 14.480 185 HH11 ARG 24 HH11 ARG 24 -11.811 14.316 11.536 186 HH12 ARG 24 HH12 ARG 24 -12.737 15.348 10.488 187 HH21 ARG 24 HH21 ARG 24 -14.449 16.940 13.108 188 HH22 ARG 24 HH22 ARG 24 -14.251 16.824 11.388 189 H TRP 25 H TRP 25 -12.452 10.446 12.968 190 HA TRP 25 HA TRP 25 -10.470 11.353 11.008 191 HB2 TRP 25 HB2 TRP 25 -10.501 9.213 9.839 192 HB3 TRP 25 HB3 TRP 25 -9.986 8.972 11.498 193 HD1 TRP 25 HD1 TRP 25 -12.364 7.707 8.997 194 HE1 TRP 25 HE1 TRP 25 -14.058 6.097 10.063 195 HE3 TRP 25 HE3 TRP 25 -11.409 8.647 13.928 196 HZ2 TRP 25 HZ2 TRP 25 -14.880 5.315 12.635 197 HZ3 TRP 25 HZ3 TRP 25 -12.692 7.422 15.627 198 HH2 TRP 25 HH2 TRP 25 -14.394 5.791 14.994 199 H LYS 26 H LYS 26 -13.720 10.040 11.543 200 HA LYS 26 HA LYS 26 -15.688 10.251 10.475 201 HB2 LYS 26 HB2 LYS 26 -14.376 12.836 9.789 202 HB3 LYS 26 HB3 LYS 26 -15.861 12.404 8.952 203 HG2 LYS 26 HG2 LYS 26 -15.497 12.625 11.934 204 HG3 LYS 26 HG3 LYS 26 -16.347 13.770 10.891 205 HD2 LYS 26 HD2 LYS 26 -17.958 12.018 10.293 206 HD3 LYS 26 HD3 LYS 26 -17.105 10.879 11.335 207 HE2 LYS 26 HE2 LYS 26 -19.024 11.692 12.509 208 HE3 LYS 26 HE3 LYS 26 -17.579 12.368 13.254 209 HZ1 LYS 26 HZ1 LYS 26 -17.971 14.441 12.105 210 HZ2 LYS 26 HZ2 LYS 26 -19.354 14.012 12.983 211 HZ3 LYS 26 HZ3 LYS 26 -19.315 13.787 11.303 212 H HIS 27 H HIS 27 -16.391 9.003 8.970 213 HA HIS 27 HA HIS 27 -16.656 7.873 7.028 214 HB2 HIS 27 HB2 HIS 27 -15.152 10.240 5.957 215 HB3 HIS 27 HB3 HIS 27 -15.510 8.864 4.919 216 HD1 HIS 27 HD1 HIS 27 -16.956 11.966 6.167 217 HD2 HIS 27 HD2 HIS 27 -18.372 8.331 4.721 218 HE1 HIS 27 HE1 HIS 27 -19.364 12.367 5.553 219 HE2 HIS 27 HE2 HIS 27 -20.240 10.112 4.841 220 HA PRO 28 HA PRO 28 -12.643 5.773 7.710 221 HB2 PRO 28 HB2 PRO 28 -13.690 3.353 8.295 222 HB3 PRO 28 HB3 PRO 28 -13.560 4.638 9.500 223 HG2 PRO 28 HG2 PRO 28 -15.943 3.761 7.918 224 HG3 PRO 28 HG3 PRO 28 -15.840 4.215 9.629 225 HD2 PRO 28 HD2 PRO 28 -16.744 5.891 7.668 226 HD3 PRO 28 HD3 PRO 28 -15.979 6.455 9.166 227 H ASN 29 H ASN 29 -15.414 5.137 5.728 228 HA ASN 29 HA ASN 29 -14.433 2.861 4.349 229 HB2 ASN 29 HB2 ASN 29 -16.299 3.280 2.771 230 HB3 ASN 29 HB3 ASN 29 -16.814 3.269 4.453 231 HD21 ASN 29 HD21 ASN 29 -17.961 4.485 2.008 232 HD22 ASN 29 HD22 ASN 29 -18.193 6.159 2.408 233 H ILE 30 H ILE 30 -14.286 6.317 3.714 234 HA ILE 30 HA ILE 30 -13.464 6.201 1.036 235 HB ILE 30 HB ILE 30 -12.808 8.300 3.107 236 HG12 ILE 30 HG12 ILE 30 -15.028 8.184 1.052 237 HG13 ILE 30 HG13 ILE 30 -15.229 7.907 2.779 238 HG21 ILE 30 HG21 ILE 30 -12.457 9.795 1.189 239 HG22 ILE 30 HG22 ILE 30 -12.684 8.428 0.098 240 HG23 ILE 30 HG23 ILE 30 -11.309 8.453 1.203 241 HD11 ILE 30 HD11 ILE 30 -15.943 10.137 2.168 242 HD12 ILE 30 HD12 ILE 30 -14.352 10.479 1.486 243 HD13 ILE 30 HD13 ILE 30 -14.528 10.206 3.219 244 H VAL 31 H VAL 31 -11.530 6.370 4.021 245 HA VAL 31 HA VAL 31 -9.067 6.105 2.571 246 HB VAL 31 HB VAL 31 -9.119 7.364 4.663 247 HG11 VAL 31 HG11 VAL 31 -9.719 4.730 5.987 248 HG12 VAL 31 HG12 VAL 31 -10.813 6.107 5.857 249 HG13 VAL 31 HG13 VAL 31 -9.339 6.239 6.816 250 HG21 VAL 31 HG21 VAL 31 -7.157 6.338 5.753 251 HG22 VAL 31 HG22 VAL 31 -7.007 6.411 3.997 252 HG23 VAL 31 HG23 VAL 31 -7.412 4.886 4.786 253 H ARG 32 H ARG 32 -11.342 3.966 4.087 254 HA ARG 32 HA ARG 32 -9.750 1.677 4.385 255 HB2 ARG 32 HB2 ARG 32 -12.001 1.880 5.342 256 HB3 ARG 32 HB3 ARG 32 -12.697 1.877 3.730 257 HG2 ARG 32 HG2 ARG 32 -12.991 -0.283 4.724 258 HG3 ARG 32 HG3 ARG 32 -11.839 -0.414 3.395 259 HD2 ARG 32 HD2 ARG 32 -9.991 -0.459 4.947 260 HD3 ARG 32 HD3 ARG 32 -11.079 -0.165 6.305 261 HE ARG 32 HE ARG 32 -11.943 -2.471 4.977 262 HH11 ARG 32 HH11 ARG 32 -9.225 -1.410 6.935 263 HH12 ARG 32 HH12 ARG 32 -8.870 -3.002 7.522 264 HH21 ARG 32 HH21 ARG 32 -11.467 -4.557 5.759 265 HH22 ARG 32 HH22 ARG 32 -10.117 -4.791 6.842 266 H SER 33 H SER 33 -11.521 2.954 1.609 267 HA SER 33 HA SER 33 -11.227 0.796 -0.134 268 HB2 SER 33 HB2 SER 33 -11.292 3.748 -0.792 269 HB3 SER 33 HB3 SER 33 -11.574 2.437 -1.939 270 HG SER 33 HG SER 33 -13.240 1.864 -0.130 271 H ARG 34 H ARG 34 -9.013 3.444 0.624 272 HA ARG 34 HA ARG 34 -7.059 2.885 -1.319 273 HB2 ARG 34 HB2 ARG 34 -7.096 4.305 1.296 274 HB3 ARG 34 HB3 ARG 34 -5.526 3.802 0.689 275 HG2 ARG 34 HG2 ARG 34 -5.960 6.076 0.049 276 HG3 ARG 34 HG3 ARG 34 -5.952 5.054 -1.385 277 HD2 ARG 34 HD2 ARG 34 -8.311 5.138 -1.564 278 HD3 ARG 34 HD3 ARG 34 -8.475 5.837 0.047 279 HE ARG 34 HE ARG 34 -7.064 7.738 -1.117 280 HH11 ARG 34 HH11 ARG 34 -9.700 5.894 -2.506 281 HH12 ARG 34 HH12 ARG 34 -10.327 7.235 -3.424 282 HH21 ARG 34 HH21 ARG 34 -7.843 9.493 -2.340 283 HH22 ARG 34 HH22 ARG 34 -9.245 9.280 -3.352 284 H ILE 35 H ILE 35 -7.610 1.609 1.911 285 HA ILE 35 HA ILE 35 -5.169 0.139 2.001 286 HB ILE 35 HB ILE 35 -7.626 0.004 3.744 287 HG12 ILE 35 HG12 ILE 35 -4.915 1.302 4.112 288 HG13 ILE 35 HG13 ILE 35 -6.430 2.143 3.809 289 HG21 ILE 35 HG21 ILE 35 -6.425 -2.113 3.820 290 HG22 ILE 35 HG22 ILE 35 -6.237 -1.230 5.335 291 HG23 ILE 35 HG23 ILE 35 -4.920 -1.260 4.161 292 HD11 ILE 35 HD11 ILE 35 -7.291 1.394 5.949 293 HD12 ILE 35 HD12 ILE 35 -5.770 2.266 6.148 294 HD13 ILE 35 HD13 ILE 35 -5.797 0.506 6.250 295 H GLU 36 H GLU 36 -8.587 -0.850 1.521 296 HA GLU 36 HA GLU 36 -7.702 -3.595 1.343 297 HB2 GLU 36 HB2 GLU 36 -10.115 -4.141 1.084 298 HB3 GLU 36 HB3 GLU 36 -9.714 -3.283 2.560 299 HG2 GLU 36 HG2 GLU 36 -11.714 -2.341 1.829 300 HG3 GLU 36 HG3 GLU 36 -10.475 -1.180 1.367 301 H LYS 37 H LYS 37 -8.303 -1.078 -0.898 302 HA LYS 37 HA LYS 37 -8.507 -3.065 -3.052 303 HB2 LYS 37 HB2 LYS 37 -10.394 -1.598 -3.091 304 HB3 LYS 37 HB3 LYS 37 -9.370 -0.175 -2.972 305 HG2 LYS 37 HG2 LYS 37 -8.882 -1.917 -5.299 306 HG3 LYS 37 HG3 LYS 37 -10.429 -1.068 -5.271 307 HD2 LYS 37 HD2 LYS 37 -9.396 1.037 -5.208 308 HD3 LYS 37 HD3 LYS 37 -7.839 0.352 -4.745 309 HE2 LYS 37 HE2 LYS 37 -7.610 -0.663 -6.944 310 HE3 LYS 37 HE3 LYS 37 -9.196 -0.048 -7.408 311 HZ1 LYS 37 HZ1 LYS 37 -7.214 1.283 -8.163 312 HZ2 LYS 37 HZ2 LYS 37 -6.997 1.744 -6.545 313 HZ3 LYS 37 HZ3 LYS 37 -8.428 2.150 -7.367 314 H ASP 38 H ASP 38 -6.943 0.086 -2.363 315 HA ASP 38 HA ASP 38 -5.255 -0.174 -4.673 316 HB2 ASP 38 HB2 ASP 38 -5.099 1.802 -2.388 317 HB3 ASP 38 HB3 ASP 38 -4.183 1.900 -3.886 318 H ILE 39 H ILE 39 -4.698 -0.350 -1.161 319 HA ILE 39 HA ILE 39 -1.932 -0.993 -1.420 320 HB ILE 39 HB ILE 39 -3.755 -1.523 0.933 321 HG12 ILE 39 HG12 ILE 39 -3.761 0.847 0.346 322 HG13 ILE 39 HG13 ILE 39 -2.869 0.595 1.840 323 HG21 ILE 39 HG21 ILE 39 -0.748 -1.344 0.769 324 HG22 ILE 39 HG22 ILE 39 -1.694 -2.810 1.036 325 HG23 ILE 39 HG23 ILE 39 -1.687 -1.532 2.250 326 HD11 ILE 39 HD11 ILE 39 -0.769 0.782 0.625 327 HD12 ILE 39 HD12 ILE 39 -1.771 2.214 0.391 328 HD13 ILE 39 HD13 ILE 39 -1.653 1.001 -0.884 329 H LYS 40 H LYS 40 -4.883 -2.895 -1.221 330 HA LYS 40 HA LYS 40 -3.258 -5.321 -1.613 331 HB2 LYS 40 HB2 LYS 40 -6.083 -5.216 -0.541 332 HB3 LYS 40 HB3 LYS 40 -5.043 -6.627 -0.641 333 HG2 LYS 40 HG2 LYS 40 -3.516 -5.556 0.992 334 HG3 LYS 40 HG3 LYS 40 -4.679 -4.237 1.151 335 HD2 LYS 40 HD2 LYS 40 -5.146 -7.150 1.803 336 HD3 LYS 40 HD3 LYS 40 -4.989 -5.823 2.956 337 HE2 LYS 40 HE2 LYS 40 -7.022 -4.805 2.069 338 HE3 LYS 40 HE3 LYS 40 -7.173 -6.109 0.893 339 HZ1 LYS 40 HZ1 LYS 40 -7.280 -7.655 2.858 340 HZ2 LYS 40 HZ2 LYS 40 -8.611 -6.628 2.669 341 HZ3 LYS 40 HZ3 LYS 40 -7.443 -6.285 3.845 342 HA PRO 41 HA PRO 41 -5.660 -4.578 -5.530 343 HB2 PRO 41 HB2 PRO 41 -3.209 -5.525 -6.826 344 HB3 PRO 41 HB3 PRO 41 -4.084 -4.011 -7.068 345 HG2 PRO 41 HG2 PRO 41 -1.673 -4.105 -5.861 346 HG3 PRO 41 HG3 PRO 41 -2.911 -2.917 -5.417 347 HD2 PRO 41 HD2 PRO 41 -2.150 -5.468 -4.042 348 HD3 PRO 41 HD3 PRO 41 -2.533 -3.881 -3.340 349 H ALA 42 H ALA 42 -3.198 -7.110 -5.187 350 HA ALA 42 HA ALA 42 -5.162 -9.214 -5.318 351 HB1 ALA 42 HB1 ALA 42 -4.178 -10.341 -7.258 352 HB2 ALA 42 HB2 ALA 42 -3.081 -8.980 -7.497 353 HB3 ALA 42 HB3 ALA 42 -4.820 -8.760 -7.702 354 H ILE 43 H ILE 43 -1.785 -8.294 -5.480 355 HA ILE 43 HA ILE 43 -0.644 -10.512 -4.187 356 HB ILE 43 HB ILE 43 1.141 -8.741 -3.543 357 HG12 ILE 43 HG12 ILE 43 -0.529 -7.147 -5.505 358 HG13 ILE 43 HG13 ILE 43 -0.405 -6.807 -3.785 359 HG21 ILE 43 HG21 ILE 43 1.380 -10.332 -5.377 360 HG22 ILE 43 HG22 ILE 43 2.037 -8.757 -5.820 361 HG23 ILE 43 HG23 ILE 43 0.463 -9.260 -6.437 362 HD11 ILE 43 HD11 ILE 43 0.993 -5.314 -5.072 363 HD12 ILE 43 HD12 ILE 43 1.835 -6.688 -5.790 364 HD13 ILE 43 HD13 ILE 43 1.987 -6.364 -4.062 365 H GLY 44 H GLY 44 -2.164 -10.962 -2.500 366 HA2 GLY 44 HA2 GLY 44 -2.047 -9.074 -0.231 367 HA3 GLY 44 HA3 GLY 44 -3.383 -10.175 -0.536 368 H SER 45 H SER 45 -2.028 -12.519 -1.054 369 HA SER 45 HA SER 45 -1.042 -13.145 1.628 370 HB2 SER 45 HB2 SER 45 -1.847 -15.014 -0.614 371 HB3 SER 45 HB3 SER 45 -1.525 -15.461 1.062 372 HG SER 45 HG SER 45 -3.715 -14.103 -0.046 373 H LEU 46 H LEU 46 0.415 -11.893 -0.767 374 HA LEU 46 HA LEU 46 2.571 -13.835 -1.147 375 HB2 LEU 46 HB2 LEU 46 1.526 -12.565 -3.072 376 HB3 LEU 46 HB3 LEU 46 2.245 -11.111 -2.410 377 HG LEU 46 HG LEU 46 4.485 -12.080 -2.728 378 HD11 LEU 46 HD11 LEU 46 2.985 -14.358 -4.013 379 HD12 LEU 46 HD12 LEU 46 3.941 -14.437 -2.533 380 HD13 LEU 46 HD13 LEU 46 4.731 -14.122 -4.078 381 HD21 LEU 46 HD21 LEU 46 2.799 -12.119 -5.224 382 HD22 LEU 46 HD22 LEU 46 4.548 -11.912 -5.149 383 HD23 LEU 46 HD23 LEU 46 3.484 -10.680 -4.471 384 H LYS 47 H LYS 47 2.063 -12.482 1.367 385 HA LYS 47 HA LYS 47 3.042 -11.361 3.073 386 HB2 LYS 47 HB2 LYS 47 5.535 -12.305 1.662 387 HB3 LYS 47 HB3 LYS 47 5.488 -11.675 3.301 388 HG2 LYS 47 HG2 LYS 47 3.770 -13.569 3.713 389 HG3 LYS 47 HG3 LYS 47 4.449 -14.263 2.238 390 HD2 LYS 47 HD2 LYS 47 5.917 -13.577 4.783 391 HD3 LYS 47 HD3 LYS 47 5.623 -15.183 4.121 392 HE2 LYS 47 HE2 LYS 47 7.005 -14.596 2.164 393 HE3 LYS 47 HE3 LYS 47 7.330 -13.025 2.888 394 HZ1 LYS 47 HZ1 LYS 47 8.160 -15.682 3.931 395 HZ2 LYS 47 HZ2 LYS 47 8.328 -14.238 4.801 396 HZ3 LYS 47 HZ3 LYS 47 9.167 -14.449 3.344 397 H VAL 48 H VAL 48 4.826 -9.739 3.709 398 HA VAL 48 HA VAL 48 4.793 -7.490 1.865 399 HB VAL 48 HB VAL 48 6.231 -7.670 4.517 400 HG11 VAL 48 HG11 VAL 48 6.931 -5.825 3.101 401 HG12 VAL 48 HG12 VAL 48 6.025 -5.229 4.491 402 HG13 VAL 48 HG13 VAL 48 5.254 -5.315 2.907 403 HG21 VAL 48 HG21 VAL 48 4.269 -6.597 5.518 404 HG22 VAL 48 HG22 VAL 48 3.881 -8.191 4.871 405 HG23 VAL 48 HG23 VAL 48 3.412 -6.740 3.983 406 H GLU 49 H GLU 49 6.780 -10.092 2.780 407 HA GLU 49 HA GLU 49 9.296 -8.941 1.986 408 HB2 GLU 49 HB2 GLU 49 9.140 -10.549 3.821 409 HB3 GLU 49 HB3 GLU 49 8.507 -11.763 2.723 410 HG2 GLU 49 HG2 GLU 49 10.642 -11.702 1.486 411 HG3 GLU 49 HG3 GLU 49 11.269 -10.574 2.690 412 H ASP 50 H ASP 50 6.800 -10.874 0.523 413 HA ASP 50 HA ASP 50 8.550 -11.641 -1.680 414 HB2 ASP 50 HB2 ASP 50 5.918 -12.596 -0.675 415 HB3 ASP 50 HB3 ASP 50 6.274 -12.823 -2.379 416 H VAL 51 H VAL 51 6.220 -9.262 -0.927 417 HA VAL 51 HA VAL 51 5.505 -8.746 -3.657 418 HB VAL 51 HB VAL 51 3.902 -8.090 -1.984 419 HG11 VAL 51 HG11 VAL 51 4.314 -6.270 -0.394 420 HG12 VAL 51 HG12 VAL 51 6.005 -6.230 -0.896 421 HG13 VAL 51 HG13 VAL 51 5.356 -7.662 -0.096 422 HG21 VAL 51 HG21 VAL 51 3.533 -5.738 -2.611 423 HG22 VAL 51 HG22 VAL 51 3.929 -6.761 -3.994 424 HG23 VAL 51 HG23 VAL 51 5.153 -5.692 -3.306 425 H LYS 52 H LYS 52 7.524 -8.690 -4.607 426 HA LYS 52 HA LYS 52 9.592 -6.884 -3.907 427 HB2 LYS 52 HB2 LYS 52 9.176 -7.973 -6.673 428 HB3 LYS 52 HB3 LYS 52 10.687 -7.654 -5.838 429 HG2 LYS 52 HG2 LYS 52 8.760 -9.894 -5.255 430 HG3 LYS 52 HG3 LYS 52 10.332 -10.033 -6.043 431 HD2 LYS 52 HD2 LYS 52 11.411 -9.237 -3.995 432 HD3 LYS 52 HD3 LYS 52 9.832 -9.122 -3.219 433 HE2 LYS 52 HE2 LYS 52 9.511 -11.513 -3.446 434 HE3 LYS 52 HE3 LYS 52 11.037 -11.656 -4.316 435 HZ1 LYS 52 HZ1 LYS 52 10.781 -10.715 -1.511 436 HZ2 LYS 52 HZ2 LYS 52 12.226 -10.996 -2.358 437 HZ3 LYS 52 HZ3 LYS 52 11.206 -12.294 -1.964 438 HA PRO 53 HA PRO 53 8.492 -2.984 -5.742 439 HB2 PRO 53 HB2 PRO 53 11.036 -3.196 -7.281 440 HB3 PRO 53 HB3 PRO 53 10.439 -1.877 -6.266 441 HG2 PRO 53 HG2 PRO 53 12.349 -3.496 -5.376 442 HG3 PRO 53 HG3 PRO 53 11.058 -2.938 -4.297 443 HD2 PRO 53 HD2 PRO 53 11.421 -5.602 -5.597 444 HD3 PRO 53 HD3 PRO 53 10.785 -5.206 -3.988 445 H ARG 54 H ARG 54 9.633 -5.561 -7.858 446 HA ARG 54 HA ARG 54 8.819 -4.550 -10.324 447 HB2 ARG 54 HB2 ARG 54 8.702 -6.896 -11.080 448 HB3 ARG 54 HB3 ARG 54 10.169 -6.562 -10.172 449 HG2 ARG 54 HG2 ARG 54 9.479 -7.805 -8.348 450 HG3 ARG 54 HG3 ARG 54 7.778 -7.712 -8.803 451 HD2 ARG 54 HD2 ARG 54 8.746 -9.950 -9.161 452 HD3 ARG 54 HD3 ARG 54 8.139 -9.222 -10.646 453 HE ARG 54 HE ARG 54 10.826 -8.586 -10.521 454 HH11 ARG 54 HH11 ARG 54 8.907 -11.514 -10.616 455 HH12 ARG 54 HH12 ARG 54 10.120 -12.434 -11.461 456 HH21 ARG 54 HH21 ARG 54 12.398 -9.772 -11.671 457 HH22 ARG 54 HH22 ARG 54 12.093 -11.427 -12.088 458 H HIS 55 H HIS 55 6.948 -6.031 -7.756 459 HA HIS 55 HA HIS 55 4.566 -6.337 -9.356 460 HB2 HIS 55 HB2 HIS 55 4.815 -6.341 -6.337 461 HB3 HIS 55 HB3 HIS 55 3.444 -6.922 -7.273 462 HD1 HIS 55 HD1 HIS 55 4.257 -9.005 -9.032 463 HD2 HIS 55 HD2 HIS 55 6.416 -8.318 -5.545 464 HE1 HIS 55 HE1 HIS 55 5.576 -11.113 -8.600 465 HE2 HIS 55 HE2 HIS 55 7.024 -10.585 -6.631 466 H ILE 56 H ILE 56 5.935 -4.032 -7.144 467 HA ILE 56 HA ILE 56 3.695 -2.367 -6.787 468 HB ILE 56 HB ILE 56 6.622 -1.614 -6.683 469 HG12 ILE 56 HG12 ILE 56 6.122 -3.487 -5.190 470 HG13 ILE 56 HG13 ILE 56 6.440 -2.025 -4.263 471 HG21 ILE 56 HG21 ILE 56 5.188 0.338 -6.802 472 HG22 ILE 56 HG22 ILE 56 5.885 0.188 -5.190 473 HG23 ILE 56 HG23 ILE 56 4.207 -0.276 -5.471 474 HD11 ILE 56 HD11 ILE 56 4.030 -1.714 -3.956 475 HD12 ILE 56 HD12 ILE 56 4.590 -3.258 -3.316 476 HD13 ILE 56 HD13 ILE 56 3.735 -3.201 -4.856 477 H ASP 57 H ASP 57 6.304 -2.378 -9.177 478 HA ASP 57 HA ASP 57 5.728 0.040 -10.462 479 HB2 ASP 57 HB2 ASP 57 7.782 -1.233 -10.883 480 HB3 ASP 57 HB3 ASP 57 6.847 -2.521 -11.633 481 H ASP 58 H ASP 58 4.412 -3.181 -10.861 482 HA ASP 58 HA ASP 58 2.886 -2.601 -13.192 483 HB2 ASP 58 HB2 ASP 58 3.493 -4.891 -12.718 484 HB3 ASP 58 HB3 ASP 58 2.656 -4.836 -11.169 485 H VAL 59 H VAL 59 2.067 -2.794 -9.734 486 HA VAL 59 HA VAL 59 -0.694 -2.231 -10.193 487 HB VAL 59 HB VAL 59 -0.909 -1.999 -7.765 488 HG11 VAL 59 HG11 VAL 59 -0.232 -4.265 -7.154 489 HG12 VAL 59 HG12 VAL 59 0.776 -4.353 -8.598 490 HG13 VAL 59 HG13 VAL 59 -0.976 -4.217 -8.753 491 HG21 VAL 59 HG21 VAL 59 2.088 -2.328 -7.700 492 HG22 VAL 59 HG22 VAL 59 1.020 -2.353 -6.297 493 HG23 VAL 59 HG23 VAL 59 1.186 -0.879 -7.252 494 H LEU 60 H LEU 60 2.128 -0.246 -9.476 495 HA LEU 60 HA LEU 60 0.763 2.139 -8.861 496 HB2 LEU 60 HB2 LEU 60 3.472 1.644 -10.075 497 HB3 LEU 60 HB3 LEU 60 2.874 3.262 -9.766 498 HG LEU 60 HG LEU 60 3.361 1.119 -7.695 499 HD11 LEU 60 HD11 LEU 60 5.124 2.613 -6.918 500 HD12 LEU 60 HD12 LEU 60 4.776 3.724 -8.241 501 HD13 LEU 60 HD13 LEU 60 5.402 2.113 -8.586 502 HD21 LEU 60 HD21 LEU 60 2.800 2.814 -6.048 503 HD22 LEU 60 HD22 LEU 60 1.432 2.527 -7.122 504 HD23 LEU 60 HD23 LEU 60 2.429 3.965 -7.329 505 H LYS 61 H LYS 61 1.941 0.878 -11.973 506 HA LYS 61 HA LYS 61 1.104 2.987 -13.574 507 HB2 LYS 61 HB2 LYS 61 2.578 1.104 -14.243 508 HB3 LYS 61 HB3 LYS 61 1.178 0.039 -14.229 509 HG2 LYS 61 HG2 LYS 61 0.258 1.920 -15.868 510 HG3 LYS 61 HG3 LYS 61 1.989 2.091 -16.179 511 HD2 LYS 61 HD2 LYS 61 1.213 0.501 -17.706 512 HD3 LYS 61 HD3 LYS 61 2.046 -0.417 -16.467 513 HE2 LYS 61 HE2 LYS 61 -0.079 -0.953 -15.418 514 HE3 LYS 61 HE3 LYS 61 -0.934 0.014 -16.618 515 HZ1 LYS 61 HZ1 LYS 61 0.581 -2.496 -17.085 516 HZ2 LYS 61 HZ2 LYS 61 -0.020 -1.515 -18.331 517 HZ3 LYS 61 HZ3 LYS 61 -1.093 -2.258 -17.245 518 H ALA 62 H ALA 62 -0.566 0.100 -12.446 519 HA ALA 62 HA ALA 62 -2.936 0.435 -13.930 520 HB1 ALA 62 HB1 ALA 62 -3.901 -1.210 -12.416 521 HB2 ALA 62 HB2 ALA 62 -2.539 -1.009 -11.314 522 HB3 ALA 62 HB3 ALA 62 -2.279 -1.690 -12.919 523 H VAL 63 H VAL 63 -2.115 1.401 -10.582 524 HA VAL 63 HA VAL 63 -4.721 2.412 -10.049 525 HB VAL 63 HB VAL 63 -3.136 1.721 -8.254 526 HG11 VAL 63 HG11 VAL 63 -1.424 3.253 -7.477 527 HG12 VAL 63 HG12 VAL 63 -1.767 4.341 -8.822 528 HG13 VAL 63 HG13 VAL 63 -1.098 2.741 -9.134 529 HG21 VAL 63 HG21 VAL 63 -3.750 3.481 -6.681 530 HG22 VAL 63 HG22 VAL 63 -5.099 3.059 -7.735 531 HG23 VAL 63 HG23 VAL 63 -4.181 4.538 -8.027 532 H MET 64 H MET 64 -1.848 3.808 -11.472 533 HA MET 64 HA MET 64 -2.833 6.503 -11.404 534 HB2 MET 64 HB2 MET 64 -0.679 5.221 -13.097 535 HB3 MET 64 HB3 MET 64 -1.033 6.944 -13.076 536 HG2 MET 64 HG2 MET 64 -0.427 7.061 -10.731 537 HG3 MET 64 HG3 MET 64 -0.129 5.324 -10.706 538 HE1 MET 64 HE1 MET 64 3.494 6.724 -10.404 539 HE2 MET 64 HE2 MET 64 2.301 5.606 -9.744 540 HE3 MET 64 HE3 MET 64 2.025 7.347 -9.651 541 H LYS 65 H LYS 65 -3.032 3.794 -13.597 542 HA LYS 65 HA LYS 65 -4.014 5.179 -15.834 543 HB2 LYS 65 HB2 LYS 65 -3.066 2.698 -15.403 544 HB3 LYS 65 HB3 LYS 65 -4.789 2.353 -15.385 545 HG2 LYS 65 HG2 LYS 65 -3.182 3.559 -17.617 546 HG3 LYS 65 HG3 LYS 65 -3.982 1.987 -17.584 547 HD2 LYS 65 HD2 LYS 65 -5.533 3.145 -18.743 548 HD3 LYS 65 HD3 LYS 65 -6.105 3.519 -17.125 549 HE2 LYS 65 HE2 LYS 65 -4.868 5.619 -17.169 550 HE3 LYS 65 HE3 LYS 65 -4.270 5.241 -18.778 551 HZ1 LYS 65 HZ1 LYS 65 -6.082 6.731 -19.007 552 HZ2 LYS 65 HZ2 LYS 65 -7.068 5.810 -17.988 553 HZ3 LYS 65 HZ3 LYS 65 -6.641 5.208 -19.513 554 H ARG 66 H ARG 66 -5.845 2.721 -14.040 555 HA ARG 66 HA ARG 66 -8.342 3.719 -14.859 556 HB2 ARG 66 HB2 ARG 66 -9.321 2.192 -13.183 557 HB3 ARG 66 HB3 ARG 66 -8.114 1.409 -14.190 558 HG2 ARG 66 HG2 ARG 66 -6.521 1.412 -12.441 559 HG3 ARG 66 HG3 ARG 66 -7.509 2.490 -11.453 560 HD2 ARG 66 HD2 ARG 66 -8.299 -0.301 -12.278 561 HD3 ARG 66 HD3 ARG 66 -7.591 0.127 -10.721 562 HE ARG 66 HE ARG 66 -9.895 1.705 -11.245 563 HH11 ARG 66 HH11 ARG 66 -8.945 -1.543 -10.280 564 HH12 ARG 66 HH12 ARG 66 -10.420 -1.832 -9.403 565 HH21 ARG 66 HH21 ARG 66 -11.806 1.313 -10.106 566 HH22 ARG 66 HH22 ARG 66 -12.046 -0.214 -9.301 567 H GLY 67 H GLY 67 -6.348 4.475 -12.111 568 HA2 GLY 67 HA2 GLY 67 -8.499 6.121 -10.975 569 HA3 GLY 67 HA3 GLY 67 -7.018 5.656 -10.145 570 H ALA 68 H ALA 68 -5.290 6.956 -10.232 571 HA ALA 68 HA ALA 68 -4.761 8.867 -12.238 572 HB1 ALA 68 HB1 ALA 68 -6.712 10.013 -11.280 573 HB2 ALA 68 HB2 ALA 68 -5.229 10.932 -11.029 574 HB3 ALA 68 HB3 ALA 68 -5.933 10.012 -9.698 575 HA PRO 69 HA PRO 69 -0.831 8.626 -10.133 576 HB2 PRO 69 HB2 PRO 69 0.186 11.052 -10.978 577 HB3 PRO 69 HB3 PRO 69 0.244 9.560 -11.923 578 HG2 PRO 69 HG2 PRO 69 -1.670 11.847 -12.108 579 HG3 PRO 69 HG3 PRO 69 -0.931 10.895 -13.409 580 HD2 PRO 69 HD2 PRO 69 -3.467 10.491 -12.630 581 HD3 PRO 69 HD3 PRO 69 -2.430 9.145 -13.144 582 H SER 70 H SER 70 -2.936 11.409 -9.960 583 HA SER 70 HA SER 70 -1.754 12.906 -7.958 584 HB2 SER 70 HB2 SER 70 -4.736 12.581 -8.115 585 HB3 SER 70 HB3 SER 70 -3.785 14.047 -7.855 586 HG SER 70 HG SER 70 -3.931 14.345 -9.921 587 H ILE 71 H ILE 71 -4.218 10.338 -7.606 588 HA ILE 71 HA ILE 71 -4.084 10.423 -4.748 589 HB ILE 71 HB ILE 71 -5.493 8.386 -4.806 590 HG12 ILE 71 HG12 ILE 71 -5.348 8.714 -7.812 591 HG13 ILE 71 HG13 ILE 71 -4.590 7.416 -6.897 592 HG21 ILE 71 HG21 ILE 71 -6.425 10.645 -6.571 593 HG22 ILE 71 HG22 ILE 71 -6.501 10.598 -4.809 594 HG23 ILE 71 HG23 ILE 71 -7.466 9.473 -5.765 595 HD11 ILE 71 HD11 ILE 71 -6.776 6.617 -6.198 596 HD12 ILE 71 HD12 ILE 71 -6.664 6.697 -7.957 597 HD13 ILE 71 HD13 ILE 71 -7.549 7.939 -7.073 598 H ALA 72 H ALA 72 -2.526 8.584 -7.273 599 HA ALA 72 HA ALA 72 -1.553 6.425 -5.782 600 HB1 ALA 72 HB1 ALA 72 -1.486 6.517 -8.227 601 HB2 ALA 72 HB2 ALA 72 0.101 6.153 -7.545 602 HB3 ALA 72 HB3 ALA 72 -0.252 7.776 -8.143 603 H ASN 73 H ASN 73 -0.331 9.698 -6.190 604 HA ASN 73 HA ASN 73 2.183 9.417 -4.983 605 HB2 ASN 73 HB2 ASN 73 0.335 11.813 -4.824 606 HB3 ASN 73 HB3 ASN 73 2.070 11.822 -4.532 607 HD21 ASN 73 HD21 ASN 73 0.335 13.216 -6.493 608 HD22 ASN 73 HD22 ASN 73 1.016 12.858 -8.040 609 H ASP 74 H ASP 74 -0.999 10.076 -3.604 610 HA ASP 74 HA ASP 74 -0.049 10.282 -0.912 611 HB2 ASP 74 HB2 ASP 74 -2.164 11.338 -1.692 612 HB3 ASP 74 HB3 ASP 74 -2.870 9.734 -1.862 613 H THR 75 H THR 75 -1.344 7.690 -2.908 614 HA THR 75 HA THR 75 -1.633 5.697 -0.977 615 HB THR 75 HB THR 75 -0.637 5.311 -3.814 616 HG1 THR 75 HG1 THR 75 -3.182 4.832 -3.762 617 HG21 THR 75 HG21 THR 75 -1.774 3.121 -3.622 618 HG22 THR 75 HG22 THR 75 -2.116 3.469 -1.926 619 HG23 THR 75 HG23 THR 75 -0.448 3.295 -2.471 620 H LEU 76 H LEU 76 1.220 6.919 -2.629 621 HA LEU 76 HA LEU 76 3.065 4.987 -1.754 622 HB2 LEU 76 HB2 LEU 76 3.470 7.905 -2.409 623 HB3 LEU 76 HB3 LEU 76 4.772 6.757 -2.163 624 HG LEU 76 HG LEU 76 2.693 6.565 -4.345 625 HD11 LEU 76 HD11 LEU 76 4.483 7.220 -5.853 626 HD12 LEU 76 HD12 LEU 76 5.584 7.406 -4.489 627 HD13 LEU 76 HD13 LEU 76 4.193 8.478 -4.650 628 HD21 LEU 76 HD21 LEU 76 4.132 4.819 -5.249 629 HD22 LEU 76 HD22 LEU 76 3.581 4.394 -3.628 630 HD23 LEU 76 HD23 LEU 76 5.223 4.988 -3.874 631 H ARG 77 H ARG 77 1.726 7.834 -0.203 632 HA ARG 77 HA ARG 77 3.495 7.928 2.009 633 HB2 ARG 77 HB2 ARG 77 0.613 8.800 1.759 634 HB3 ARG 77 HB3 ARG 77 1.612 9.117 3.167 635 HG2 ARG 77 HG2 ARG 77 3.128 10.449 1.790 636 HG3 ARG 77 HG3 ARG 77 2.115 10.129 0.377 637 HD2 ARG 77 HD2 ARG 77 0.237 11.224 1.437 638 HD3 ARG 77 HD3 ARG 77 1.177 11.471 2.906 639 HE ARG 77 HE ARG 77 2.660 12.901 1.432 640 HH11 ARG 77 HH11 ARG 77 -0.733 12.386 0.748 641 HH12 ARG 77 HH12 ARG 77 -0.965 13.959 0.037 642 HH21 ARG 77 HH21 ARG 77 2.372 14.986 0.531 643 HH22 ARG 77 HH22 ARG 77 0.809 15.439 -0.088 644 H TRP 78 H TRP 78 0.359 6.351 1.505 645 HA TRP 78 HA TRP 78 0.161 5.209 4.076 646 HB2 TRP 78 HB2 TRP 78 -1.077 4.350 1.450 647 HB3 TRP 78 HB3 TRP 78 -1.506 3.669 3.018 648 HD1 TRP 78 HD1 TRP 78 -2.226 6.571 0.761 649 HE1 TRP 78 HE1 TRP 78 -3.908 8.161 1.880 650 HE3 TRP 78 HE3 TRP 78 -2.207 4.571 5.462 651 HZ2 TRP 78 HZ2 TRP 78 -5.077 8.516 4.429 652 HZ3 TRP 78 HZ3 TRP 78 -3.636 5.595 7.185 653 HH2 TRP 78 HH2 TRP 78 -5.039 7.526 6.676 654 H LEU 79 H LEU 79 1.459 3.964 1.021 655 HA LEU 79 HA LEU 79 2.267 1.446 1.924 656 HB2 LEU 79 HB2 LEU 79 3.527 3.296 -0.101 657 HB3 LEU 79 HB3 LEU 79 4.051 1.643 0.157 658 HG LEU 79 HG LEU 79 1.287 2.450 -0.749 659 HD11 LEU 79 HD11 LEU 79 1.954 1.577 -2.924 660 HD12 LEU 79 HD12 LEU 79 3.581 1.282 -2.314 661 HD13 LEU 79 HD13 LEU 79 2.975 2.934 -2.446 662 HD21 LEU 79 HD21 LEU 79 2.609 -0.254 -0.545 663 HD22 LEU 79 HD22 LEU 79 1.002 0.066 -1.201 664 HD23 LEU 79 HD23 LEU 79 1.332 0.355 0.508 665 H LYS 80 H LYS 80 4.065 4.511 1.855 666 HA LYS 80 HA LYS 80 6.439 3.745 2.968 667 HB2 LYS 80 HB2 LYS 80 5.953 5.965 2.049 668 HB3 LYS 80 HB3 LYS 80 4.923 6.314 3.428 669 HG2 LYS 80 HG2 LYS 80 6.836 7.367 4.053 670 HG3 LYS 80 HG3 LYS 80 7.083 5.785 4.791 671 HD2 LYS 80 HD2 LYS 80 8.207 6.714 2.153 672 HD3 LYS 80 HD3 LYS 80 9.076 6.552 3.666 673 HE2 LYS 80 HE2 LYS 80 8.684 4.141 3.648 674 HE3 LYS 80 HE3 LYS 80 7.799 4.304 2.132 675 HZ1 LYS 80 HZ1 LYS 80 9.893 5.263 1.180 676 HZ2 LYS 80 HZ2 LYS 80 9.982 3.618 1.594 677 HZ3 LYS 80 HZ3 LYS 80 10.690 4.784 2.602 678 H ARG 81 H ARG 81 3.729 5.171 4.780 679 HA ARG 81 HA ARG 81 4.910 4.783 7.302 680 HB2 ARG 81 HB2 ARG 81 2.667 5.292 8.225 681 HB3 ARG 81 HB3 ARG 81 3.209 6.458 7.031 682 HG2 ARG 81 HG2 ARG 81 1.814 5.305 5.341 683 HG3 ARG 81 HG3 ARG 81 1.201 4.256 6.621 684 HD2 ARG 81 HD2 ARG 81 -0.338 6.095 6.156 685 HD3 ARG 81 HD3 ARG 81 0.306 6.195 7.793 686 HE ARG 81 HE ARG 81 1.855 7.925 6.893 687 HH11 ARG 81 HH11 ARG 81 -1.124 7.237 5.196 688 HH12 ARG 81 HH12 ARG 81 -1.263 8.835 4.524 689 HH21 ARG 81 HH21 ARG 81 1.660 10.049 6.013 690 HH22 ARG 81 HH22 ARG 81 0.302 10.418 4.997 691 H MET 82 H MET 82 2.889 2.671 5.366 692 HA MET 82 HA MET 82 2.305 0.866 7.506 693 HB2 MET 82 HB2 MET 82 0.888 1.049 5.480 694 HB3 MET 82 HB3 MET 82 2.197 0.370 4.524 695 HG2 MET 82 HG2 MET 82 1.233 -1.180 6.864 696 HG3 MET 82 HG3 MET 82 0.200 -1.100 5.440 697 HE1 MET 82 HE1 MET 82 2.367 -2.745 2.682 698 HE2 MET 82 HE2 MET 82 2.161 -1.026 3.025 699 HE3 MET 82 HE3 MET 82 0.776 -2.115 3.119 700 H PHE 83 H PHE 83 4.599 0.783 4.775 701 HA PHE 83 HA PHE 83 5.889 -1.600 5.567 702 HB2 PHE 83 HB2 PHE 83 6.889 0.719 3.905 703 HB3 PHE 83 HB3 PHE 83 7.798 -0.766 4.147 704 HD1 PHE 83 HD2 PHE 83 5.780 -2.834 3.890 705 HD2 PHE 83 HD1 PHE 83 6.259 0.778 1.699 706 HE1 PHE 83 HE2 PHE 83 4.628 -3.852 1.968 707 HE2 PHE 83 HE1 PHE 83 5.110 -0.230 -0.228 708 HZ PHE 83 HZ PHE 83 4.293 -2.549 -0.093 709 H ASN 84 H ASN 84 6.346 1.763 6.444 710 HA ASN 84 HA ASN 84 8.789 1.574 7.796 711 HB2 ASN 84 HB2 ASN 84 7.868 3.746 7.361 712 HB3 ASN 84 HB3 ASN 84 6.402 3.370 8.259 713 HD21 ASN 84 HD21 ASN 84 6.394 3.538 10.463 714 HD22 ASN 84 HD22 ASN 84 7.703 4.203 11.381 715 H TYR 85 H TYR 85 5.491 0.953 8.891 716 HA TYR 85 HA TYR 85 6.124 0.495 11.604 717 HB2 TYR 85 HB2 TYR 85 3.833 0.945 10.791 718 HB3 TYR 85 HB3 TYR 85 3.825 -0.615 9.977 719 HD1 TYR 85 HD2 TYR 85 4.225 0.905 13.356 720 HD2 TYR 85 HD1 TYR 85 3.002 -2.488 11.097 721 HE1 TYR 85 HE2 TYR 85 3.370 -0.146 15.406 722 HE2 TYR 85 HE1 TYR 85 2.143 -3.548 13.145 723 HH TYR 85 HH TYR 85 1.720 -1.856 16.047 724 H ALA 86 H ALA 86 6.110 -1.554 8.758 725 HA ALA 86 HA ALA 86 6.494 -4.005 10.176 726 HB1 ALA 86 HB1 ALA 86 6.911 -4.985 7.999 727 HB2 ALA 86 HB2 ALA 86 7.082 -3.384 7.283 728 HB3 ALA 86 HB3 ALA 86 5.520 -3.904 7.914 729 H ILE 87 H ILE 87 8.651 -1.660 8.624 730 HA ILE 87 HA ILE 87 11.034 -3.172 9.016 731 HB ILE 87 HB ILE 87 10.716 -0.180 8.682 732 HG12 ILE 87 HG12 ILE 87 11.349 -2.327 6.643 733 HG13 ILE 87 HG13 ILE 87 9.802 -1.502 6.802 734 HG21 ILE 87 HG21 ILE 87 13.071 -0.209 7.992 735 HG22 ILE 87 HG22 ILE 87 13.155 -1.929 8.370 736 HG23 ILE 87 HG23 ILE 87 12.875 -0.754 9.656 737 HD11 ILE 87 HD11 ILE 87 11.105 -0.593 4.970 738 HD12 ILE 87 HD12 ILE 87 12.422 -0.214 6.080 739 HD13 ILE 87 HD13 ILE 87 10.873 0.613 6.236 740 H LYS 88 H LYS 88 9.391 -0.661 10.855 741 HA LYS 88 HA LYS 88 11.232 -0.421 12.961 742 HB2 LYS 88 HB2 LYS 88 9.661 1.286 12.807 743 HB3 LYS 88 HB3 LYS 88 8.320 0.176 12.592 744 HG2 LYS 88 HG2 LYS 88 9.724 0.146 15.202 745 HG3 LYS 88 HG3 LYS 88 8.700 1.535 14.826 746 HD2 LYS 88 HD2 LYS 88 6.868 -0.082 14.269 747 HD3 LYS 88 HD3 LYS 88 7.896 -1.370 14.897 748 HE2 LYS 88 HE2 LYS 88 7.015 1.044 16.454 749 HE3 LYS 88 HE3 LYS 88 6.238 -0.532 16.534 750 HZ1 LYS 88 HZ1 LYS 88 8.279 -1.477 17.372 751 HZ2 LYS 88 HZ2 LYS 88 7.798 -0.184 18.356 752 HZ3 LYS 88 HZ3 LYS 88 9.072 0.022 17.252 753 H ARG 89 H ARG 89 8.502 -2.593 12.465 754 HA ARG 89 HA ARG 89 8.870 -3.944 14.982 755 HB2 ARG 89 HB2 ARG 89 6.702 -3.651 13.600 756 HB3 ARG 89 HB3 ARG 89 7.296 -5.001 12.646 757 HG2 ARG 89 HG2 ARG 89 7.245 -6.450 14.555 758 HG3 ARG 89 HG3 ARG 89 6.859 -5.096 15.619 759 HD2 ARG 89 HD2 ARG 89 4.755 -4.759 14.372 760 HD3 ARG 89 HD3 ARG 89 5.132 -6.179 13.397 761 HE ARG 89 HE ARG 89 5.149 -7.343 15.717 762 HH11 ARG 89 HH11 ARG 89 3.040 -4.717 14.759 763 HH12 ARG 89 HH12 ARG 89 1.717 -5.232 15.752 764 HH21 ARG 89 HH21 ARG 89 3.406 -8.020 17.062 765 HH22 ARG 89 HH22 ARG 89 1.932 -7.093 17.084 766 H HIS 90 H HIS 90 10.628 -3.881 12.251 767 HA HIS 90 HA HIS 90 12.264 -5.115 11.309 768 HB2 HIS 90 HB2 HIS 90 12.938 -5.167 13.765 769 HB3 HIS 90 HB3 HIS 90 12.267 -6.795 13.815 770 HD1 HIS 90 HD1 HIS 90 14.027 -8.522 13.548 771 HD2 HIS 90 HD2 HIS 90 14.928 -5.055 11.426 772 HE1 HIS 90 HE1 HIS 90 16.234 -8.962 12.431 773 HE2 HIS 90 HE2 HIS 90 16.728 -6.890 11.087 774 H ILE 91 H ILE 91 9.681 -5.845 10.612 775 HA ILE 91 HA ILE 91 9.595 -8.749 10.483 776 HB ILE 91 HB ILE 91 7.821 -6.726 9.099 777 HG12 ILE 91 HG12 ILE 91 7.304 -8.235 11.667 778 HG13 ILE 91 HG13 ILE 91 7.840 -6.559 11.599 779 HG21 ILE 91 HG21 ILE 91 7.764 -8.941 8.078 780 HG22 ILE 91 HG22 ILE 91 6.246 -8.596 8.908 781 HG23 ILE 91 HG23 ILE 91 7.432 -9.668 9.650 782 HD11 ILE 91 HD11 ILE 91 5.808 -5.950 10.417 783 HD12 ILE 91 HD12 ILE 91 5.445 -6.726 11.958 784 HD13 ILE 91 HD13 ILE 91 5.276 -7.631 10.453 785 H ILE 92 H ILE 92 9.882 -6.014 8.252 786 HA ILE 92 HA ILE 92 11.487 -7.683 6.462 787 HB ILE 92 HB ILE 92 10.371 -6.606 4.479 788 HG12 ILE 92 HG12 ILE 92 7.860 -6.009 5.114 789 HG13 ILE 92 HG13 ILE 92 8.598 -5.571 6.649 790 HG21 ILE 92 HG21 ILE 92 8.660 -8.398 6.186 791 HG22 ILE 92 HG22 ILE 92 9.925 -8.907 5.066 792 HG23 ILE 92 HG23 ILE 92 8.462 -8.135 4.453 793 HD11 ILE 92 HD11 ILE 92 10.073 -4.008 5.488 794 HD12 ILE 92 HD12 ILE 92 8.372 -3.642 5.198 795 HD13 ILE 92 HD13 ILE 92 9.327 -4.448 3.953 796 H GLU 93 H GLU 93 12.992 -6.506 5.206 797 HA GLU 93 HA GLU 93 13.283 -3.675 5.972 798 HB2 GLU 93 HB2 GLU 93 15.474 -5.712 5.526 799 HB3 GLU 93 HB3 GLU 93 15.735 -3.999 5.830 800 HG2 GLU 93 HG2 GLU 93 14.689 -4.224 8.024 801 HG3 GLU 93 HG3 GLU 93 14.417 -5.939 7.720 802 H TYR 94 H TYR 94 12.083 -5.148 3.620 803 HA TYR 94 HA TYR 94 13.776 -4.510 1.388 804 HB2 TYR 94 HB2 TYR 94 10.970 -5.547 1.669 805 HB3 TYR 94 HB3 TYR 94 11.585 -5.033 0.102 806 HD1 TYR 94 HD1 TYR 94 12.004 -7.489 2.830 807 HD2 TYR 94 HD2 TYR 94 13.117 -6.366 -1.116 808 HE1 TYR 94 HE1 TYR 94 13.028 -9.701 2.494 809 HE2 TYR 94 HE2 TYR 94 14.143 -8.568 -1.464 810 HH TYR 94 HH TYR 94 15.063 -10.384 -0.192 811 H ASN 95 H ASN 95 10.613 -3.299 2.489 812 HA ASN 95 HA ASN 95 9.403 -1.457 1.976 813 HB2 ASN 95 HB2 ASN 95 11.542 -0.444 3.072 814 HB3 ASN 95 HB3 ASN 95 11.944 0.058 1.431 815 HD21 ASN 95 HD21 ASN 95 9.863 0.502 4.133 816 HD22 ASN 95 HD22 ASN 95 9.061 1.919 3.564 817 HA PRO 96 HA PRO 96 10.024 -2.480 -2.498 818 HB2 PRO 96 HB2 PRO 96 7.092 -2.705 -2.483 819 HB3 PRO 96 HB3 PRO 96 8.307 -3.892 -2.975 820 HG2 PRO 96 HG2 PRO 96 6.860 -4.171 -0.717 821 HG3 PRO 96 HG3 PRO 96 8.534 -4.738 -0.849 822 HD2 PRO 96 HD2 PRO 96 7.462 -2.276 0.466 823 HD3 PRO 96 HD3 PRO 96 8.755 -3.372 1.002 824 H ALA 97 H ALA 97 8.309 -0.073 -0.816 825 HA ALA 97 HA ALA 97 7.285 1.328 -3.107 826 HB1 ALA 97 HB1 ALA 97 7.594 2.238 -0.245 827 HB2 ALA 97 HB2 ALA 97 6.159 1.493 -0.951 828 HB3 ALA 97 HB3 ALA 97 6.692 3.079 -1.507 829 H ALA 98 H ALA 98 10.337 0.857 -2.008 830 HA ALA 98 HA ALA 98 11.493 3.428 -2.116 831 HB1 ALA 98 HB1 ALA 98 12.777 0.757 -2.672 832 HB2 ALA 98 HB2 ALA 98 12.613 1.514 -1.087 833 HB3 ALA 98 HB3 ALA 98 13.624 2.264 -2.324 834 H ALA 99 H ALA 99 10.293 1.380 -4.576 835 HA ALA 99 HA ALA 99 11.888 2.109 -6.764 836 HB1 ALA 99 HB1 ALA 99 10.245 0.281 -6.816 837 HB2 ALA 99 HB2 ALA 99 10.018 1.409 -8.152 838 HB3 ALA 99 HB3 ALA 99 8.939 1.465 -6.758 839 H PHE 100 H PHE 100 9.074 3.646 -5.311 840 HA PHE 100 HA PHE 100 9.873 6.158 -6.559 841 HB2 PHE 100 HB2 PHE 100 7.099 4.973 -6.683 842 HB3 PHE 100 HB3 PHE 100 7.390 6.698 -6.863 843 HD1 PHE 100 HD2 PHE 100 8.741 7.520 -8.776 844 HD2 PHE 100 HD1 PHE 100 7.488 3.466 -8.468 845 HE1 PHE 100 HE2 PHE 100 9.184 7.204 -11.176 846 HE2 PHE 100 HE1 PHE 100 7.926 3.144 -10.867 847 HZ PHE 100 HZ PHE 100 8.775 5.015 -12.225 848 H ASP 101 H ASP 101 10.741 6.410 -4.429 849 HA ASP 101 HA ASP 101 8.915 6.488 -2.189 850 HB2 ASP 101 HB2 ASP 101 11.239 5.627 -1.974 851 HB3 ASP 101 HB3 ASP 101 11.843 7.244 -2.316 852 HA PRO 102 HA PRO 102 7.724 10.615 -3.301 853 HB2 PRO 102 HB2 PRO 102 6.283 11.101 -0.998 854 HB3 PRO 102 HB3 PRO 102 5.663 10.259 -2.421 855 HG2 PRO 102 HG2 PRO 102 6.718 9.141 0.137 856 HG3 PRO 102 HG3 PRO 102 5.354 8.589 -0.854 857 HD2 PRO 102 HD2 PRO 102 7.735 7.335 -0.885 858 HD3 PRO 102 HD3 PRO 102 6.722 7.462 -2.337 859 H GLY 103 H GLY 103 8.846 10.005 0.036 860 HA2 GLY 103 HA2 GLY 103 10.366 11.224 1.296 861 HA3 GLY 103 HA3 GLY 103 10.598 12.298 -0.078 862 H ASP 104 H ASP 104 7.378 11.714 0.860 863 HA ASP 104 HA ASP 104 7.208 14.051 2.582 864 HB2 ASP 104 HB2 ASP 104 6.994 14.989 0.323 865 HB3 ASP 104 HB3 ASP 104 5.711 13.843 -0.046 866 H ALA 105 H ALA 105 6.485 12.767 4.229 867 HA ALA 105 HA ALA 105 4.227 10.971 3.719 868 HB1 ALA 105 HB1 ALA 105 6.166 10.069 4.904 869 HB2 ALA 105 HB2 ALA 105 4.718 10.031 5.910 870 HB3 ALA 105 HB3 ALA 105 5.944 11.267 6.179 871 H GLY 106 H GLY 106 4.614 14.119 4.557 872 HA2 GLY 106 HA2 GLY 106 2.777 15.531 5.032 873 HA3 GLY 106 HA3 GLY 106 1.954 14.166 5.776 874 H GLY 107 H GLY 107 3.200 13.281 7.761 875 HA2 GLY 107 HA2 GLY 107 4.853 14.143 9.485 876 HA3 GLY 107 HA3 GLY 107 3.903 15.621 9.410 877 H LYS 108 H LYS 108 3.436 12.128 9.887 878 HA LYS 108 HA LYS 108 1.046 12.502 11.380 879 HB2 LYS 108 HB2 LYS 108 2.784 10.159 10.741 880 HB3 LYS 108 HB3 LYS 108 1.556 10.014 11.996 881 HG2 LYS 108 HG2 LYS 108 1.063 10.855 9.150 882 HG3 LYS 108 HG3 LYS 108 0.719 9.262 9.836 883 HD2 LYS 108 HD2 LYS 108 -0.896 10.209 11.353 884 HD3 LYS 108 HD3 LYS 108 -0.468 11.846 10.849 885 HE2 LYS 108 HE2 LYS 108 -1.337 11.456 8.652 886 HE3 LYS 108 HE3 LYS 108 -1.593 9.754 9.023 887 HZ1 LYS 108 HZ1 LYS 108 -3.637 11.122 9.130 888 HZ2 LYS 108 HZ2 LYS 108 -2.960 11.986 10.426 889 HZ3 LYS 108 HZ3 LYS 108 -3.288 10.328 10.587 890 H LEU 109 H LEU 109 0.639 12.284 13.483 891 HA LEU 109 HA LEU 109 2.609 11.621 15.448 892 HB2 LEU 109 HB2 LEU 109 3.222 13.978 14.946 893 HB3 LEU 109 HB3 LEU 109 1.585 14.466 15.341 894 HG LEU 109 HG LEU 109 1.927 13.709 17.667 895 HD11 LEU 109 HD11 LEU 109 4.181 13.141 18.426 896 HD12 LEU 109 HD12 LEU 109 4.755 13.197 16.760 897 HD13 LEU 109 HD13 LEU 109 3.582 11.974 17.246 898 HD21 LEU 109 HD21 LEU 109 3.491 15.483 18.319 899 HD22 LEU 109 HD22 LEU 109 2.342 16.031 17.101 900 HD23 LEU 109 HD23 LEU 109 3.999 15.643 16.637 901 H GLU 110 H GLU 110 1.580 11.252 17.502 902 HA GLU 110 HA GLU 110 -1.331 11.491 17.327 903 HB2 GLU 110 HB2 GLU 110 -1.559 9.417 18.614 904 HB3 GLU 110 HB3 GLU 110 -0.740 9.169 17.084 905 HG2 GLU 110 HG2 GLU 110 0.556 7.895 18.428 906 HG3 GLU 110 HG3 GLU 110 1.410 9.425 18.578 907 H HIS 111 H HIS 111 -2.239 12.675 18.697 908 HA HIS 111 HA HIS 111 -1.744 12.550 21.490 909 HB2 HIS 111 HB2 HIS 111 -0.158 14.435 20.297 910 HB3 HIS 111 HB3 HIS 111 -1.615 15.377 20.605 911 HD1 HIS 111 HD1 HIS 111 -1.983 16.183 22.982 912 HD2 HIS 111 HD2 HIS 111 1.013 13.307 22.689 913 HE1 HIS 111 HE1 HIS 111 -0.923 16.067 25.257 914 HE2 HIS 111 HE2 HIS 111 0.806 14.247 25.094 915 H HIS 112 H HIS 112 -3.606 13.209 22.567 916 HA HIS 112 HA HIS 112 -5.881 13.369 22.779 917 HB2 HIS 112 HB2 HIS 112 -5.950 14.441 19.940 918 HB3 HIS 112 HB3 HIS 112 -7.301 14.402 21.057 919 HD1 HIS 112 HD1 HIS 112 -7.435 16.284 22.817 920 HD2 HIS 112 HD2 HIS 112 -4.085 16.495 20.357 921 HE1 HIS 112 HE1 HIS 112 -6.486 18.583 23.155 922 HE2 HIS 112 HE2 HIS 112 -4.543 18.739 21.559 923 H HIS 113 H HIS 113 -7.715 12.033 22.150 924 HA HIS 113 HA HIS 113 -7.419 10.388 19.794 925 HB2 HIS 113 HB2 HIS 113 -6.076 9.290 21.716 926 HB3 HIS 113 HB3 HIS 113 -7.653 8.895 22.393 927 HD1 HIS 113 HD1 HIS 113 -5.169 7.750 19.973 928 HD2 HIS 113 HD2 HIS 113 -9.239 7.178 20.641 929 HE1 HIS 113 HE1 HIS 113 -5.802 5.709 18.638 930 HE2 HIS 113 HE2 HIS 113 -8.288 5.463 18.962 931 H HIS 114 H HIS 114 -9.142 10.018 22.882 932 HA HIS 114 HA HIS 114 -11.343 9.850 23.403 933 HB2 HIS 114 HB2 HIS 114 -11.768 11.393 20.835 934 HB3 HIS 114 HB3 HIS 114 -13.005 11.091 22.049 935 HD1 HIS 114 HD1 HIS 114 -10.619 13.556 21.044 936 HD2 HIS 114 HD2 HIS 114 -12.180 12.272 24.678 937 HE1 HIS 114 HE1 HIS 114 -10.166 15.415 22.676 938 HE2 HIS 114 HE2 HIS 114 -10.916 14.516 24.907 939 H HIS 115 H HIS 115 -13.476 8.891 22.627 940 HA HIS 115 HA HIS 115 -14.622 7.122 21.761 941 HB2 HIS 115 HB2 HIS 115 -12.829 7.508 19.346 942 HB3 HIS 115 HB3 HIS 115 -14.332 6.594 19.378 943 HD1 HIS 115 HD1 HIS 115 -13.293 9.505 17.961 944 HD2 HIS 115 HD2 HIS 115 -16.372 8.727 20.646 945 HE1 HIS 115 HE1 HIS 115 -14.904 11.418 17.721 946 HE2 HIS 115 HE2 HIS 115 -16.617 11.046 19.526 947 H HIS 116 H HIS 116 -13.500 5.094 19.905 948 HA HIS 116 HA HIS 116 -11.526 3.859 21.717 949 HB2 HIS 116 HB2 HIS 116 -13.889 2.557 20.363 950 HB3 HIS 116 HB3 HIS 116 -12.553 1.638 21.048 951 HD1 HIS 116 HD1 HIS 116 -12.308 1.645 23.642 952 HD2 HIS 116 HD2 HIS 116 -15.696 3.593 22.212 953 HE1 HIS 116 HE1 HIS 116 -13.806 1.970 25.641 954 HE2 HIS 116 HE2 HIS 116 -15.909 3.016 24.727 Start of MODEL 6 1 H1 MET 1 H1 MET 1 3.629 -17.653 15.462 2 H2 MET 1 H2 MET 1 2.089 -17.652 14.748 3 H3 MET 1 H3 MET 1 2.389 -18.619 16.105 4 HA MET 1 HA MET 1 1.110 -16.596 16.608 5 HB2 MET 1 HB2 MET 1 2.450 -15.945 18.559 6 HB3 MET 1 HB3 MET 1 2.438 -17.689 18.352 7 HG2 MET 1 HG2 MET 1 4.667 -17.556 17.318 8 HG3 MET 1 HG3 MET 1 4.675 -15.817 17.605 9 HE1 MET 1 HE1 MET 1 6.979 -15.987 18.900 10 HE2 MET 1 HE2 MET 1 7.008 -17.722 18.589 11 HE3 MET 1 HE3 MET 1 7.278 -17.115 20.223 12 H ALA 2 H ALA 2 1.996 -15.858 14.114 13 HA ALA 2 HA ALA 2 2.807 -14.199 12.794 14 HB1 ALA 2 HB1 ALA 2 2.640 -12.507 15.293 15 HB2 ALA 2 HB2 ALA 2 1.314 -12.792 14.164 16 HB3 ALA 2 HB3 ALA 2 2.753 -11.919 13.633 17 H GLU 3 H GLU 3 4.637 -12.158 13.216 18 HA GLU 3 HA GLU 3 6.785 -11.581 13.715 19 HB2 GLU 3 HB2 GLU 3 6.249 -12.464 15.995 20 HB3 GLU 3 HB3 GLU 3 6.868 -14.026 15.488 21 HG2 GLU 3 HG2 GLU 3 8.555 -12.935 16.749 22 HG3 GLU 3 HG3 GLU 3 9.063 -12.951 15.061 23 H LYS 4 H LYS 4 6.396 -15.091 13.269 24 HA LYS 4 HA LYS 4 9.034 -15.256 12.053 25 HB2 LYS 4 HB2 LYS 4 8.297 -16.898 13.767 26 HB3 LYS 4 HB3 LYS 4 7.025 -17.432 12.683 27 HG2 LYS 4 HG2 LYS 4 9.890 -17.545 11.832 28 HG3 LYS 4 HG3 LYS 4 9.204 -18.800 12.863 29 HD2 LYS 4 HD2 LYS 4 7.378 -19.038 11.124 30 HD3 LYS 4 HD3 LYS 4 8.369 -18.020 10.080 31 HE2 LYS 4 HE2 LYS 4 9.276 -20.604 11.324 32 HE3 LYS 4 HE3 LYS 4 8.669 -20.449 9.678 33 HZ1 LYS 4 HZ1 LYS 4 11.067 -20.446 9.705 34 HZ2 LYS 4 HZ2 LYS 4 11.100 -19.132 10.777 35 HZ3 LYS 4 HZ3 LYS 4 10.505 -18.929 9.200 36 H ASN 5 H ASN 5 5.732 -16.354 11.204 37 HA ASN 5 HA ASN 5 6.453 -15.917 8.383 38 HB2 ASN 5 HB2 ASN 5 6.770 -18.282 8.801 39 HB3 ASN 5 HB3 ASN 5 5.161 -18.405 9.505 40 HD21 ASN 5 HD21 ASN 5 3.391 -18.528 8.184 41 HD22 ASN 5 HD22 ASN 5 3.503 -18.722 6.464 42 H ALA 6 H ALA 6 3.790 -16.561 10.643 43 HA ALA 6 HA ALA 6 1.756 -15.949 8.752 44 HB1 ALA 6 HB1 ALA 6 0.225 -16.055 10.633 45 HB2 ALA 6 HB2 ALA 6 1.583 -16.028 11.756 46 HB3 ALA 6 HB3 ALA 6 1.361 -17.406 10.678 47 H TYR 7 H TYR 7 2.381 -13.931 7.903 48 HA TYR 7 HA TYR 7 1.001 -11.760 9.100 49 HB2 TYR 7 HB2 TYR 7 3.490 -11.973 10.146 50 HB3 TYR 7 HB3 TYR 7 3.839 -10.993 8.726 51 HD1 TYR 7 HD1 TYR 7 2.022 -9.000 8.402 52 HD2 TYR 7 HD2 TYR 7 3.078 -10.838 12.086 53 HE1 TYR 7 HE1 TYR 7 1.261 -6.998 9.612 54 HE2 TYR 7 HE2 TYR 7 2.322 -8.845 13.307 55 HH TYR 7 HH TYR 7 0.427 -6.463 11.965 56 H THR 8 H THR 8 -0.040 -11.507 7.177 57 HA THR 8 HA THR 8 1.539 -11.166 4.743 58 HB THR 8 HB THR 8 -0.688 -11.165 3.603 59 HG1 THR 8 HG1 THR 8 -2.506 -11.761 4.856 60 HG21 THR 8 HG21 THR 8 -0.080 -13.533 5.377 61 HG22 THR 8 HG22 THR 8 0.575 -13.231 3.768 62 HG23 THR 8 HG23 THR 8 -1.144 -13.569 3.971 63 H VAL 9 H VAL 9 0.479 -9.423 3.207 64 HA VAL 9 HA VAL 9 0.937 -6.902 4.379 65 HB VAL 9 HB VAL 9 1.252 -7.310 1.979 66 HG11 VAL 9 HG11 VAL 9 -0.639 -8.768 1.556 67 HG12 VAL 9 HG12 VAL 9 -0.664 -7.389 0.456 68 HG13 VAL 9 HG13 VAL 9 -1.756 -7.433 1.840 69 HG21 VAL 9 HG21 VAL 9 0.993 -5.022 2.737 70 HG22 VAL 9 HG22 VAL 9 -0.760 -5.145 2.584 71 HG23 VAL 9 HG23 VAL 9 0.258 -5.221 1.146 72 H ALA 10 H ALA 10 -1.998 -8.752 3.834 73 HA ALA 10 HA ALA 10 -3.896 -6.764 4.394 74 HB1 ALA 10 HB1 ALA 10 -4.064 -9.722 4.966 75 HB2 ALA 10 HB2 ALA 10 -4.468 -8.948 3.435 76 HB3 ALA 10 HB3 ALA 10 -5.424 -8.603 4.877 77 H GLN 11 H GLN 11 -2.218 -9.049 6.522 78 HA GLN 11 HA GLN 11 -3.510 -8.232 8.904 79 HB2 GLN 11 HB2 GLN 11 -0.869 -9.631 8.451 80 HB3 GLN 11 HB3 GLN 11 -1.596 -9.394 10.035 81 HG2 GLN 11 HG2 GLN 11 -2.891 -10.890 7.768 82 HG3 GLN 11 HG3 GLN 11 -1.986 -11.645 9.080 83 HE21 GLN 11 HE21 GLN 11 -4.919 -10.024 8.178 84 HE22 GLN 11 HE22 GLN 11 -5.793 -10.338 9.641 85 H LEU 12 H LEU 12 -0.544 -7.233 7.286 86 HA LEU 12 HA LEU 12 0.442 -5.563 9.329 87 HB2 LEU 12 HB2 LEU 12 1.836 -6.290 7.466 88 HB3 LEU 12 HB3 LEU 12 0.842 -5.383 6.341 89 HG LEU 12 HG LEU 12 1.521 -3.289 7.559 90 HD11 LEU 12 HD11 LEU 12 3.460 -5.175 8.880 91 HD12 LEU 12 HD12 LEU 12 2.183 -4.247 9.670 92 HD13 LEU 12 HD13 LEU 12 3.555 -3.415 8.937 93 HD21 LEU 12 HD21 LEU 12 3.691 -3.146 6.490 94 HD22 LEU 12 HD22 LEU 12 2.550 -3.991 5.445 95 HD23 LEU 12 HD23 LEU 12 3.758 -4.903 6.350 96 H ALA 13 H ALA 13 -1.445 -4.771 6.413 97 HA ALA 13 HA ALA 13 -1.620 -2.015 6.916 98 HB1 ALA 13 HB1 ALA 13 -3.392 -1.994 5.248 99 HB2 ALA 13 HB2 ALA 13 -3.533 -3.748 5.358 100 HB3 ALA 13 HB3 ALA 13 -2.057 -3.020 4.726 101 H ASP 14 H ASP 14 -3.660 -4.710 7.885 102 HA ASP 14 HA ASP 14 -5.810 -3.203 8.898 103 HB2 ASP 14 HB2 ASP 14 -5.961 -5.608 8.407 104 HB3 ASP 14 HB3 ASP 14 -4.859 -5.950 9.737 105 H GLU 15 H GLU 15 -2.874 -4.449 10.445 106 HA GLU 15 HA GLU 15 -3.631 -3.435 13.023 107 HB2 GLU 15 HB2 GLU 15 -2.129 -5.454 12.568 108 HB3 GLU 15 HB3 GLU 15 -0.855 -4.288 12.230 109 HG2 GLU 15 HG2 GLU 15 -0.910 -3.448 14.439 110 HG3 GLU 15 HG3 GLU 15 -2.402 -4.313 14.804 111 H TYR 16 H TYR 16 -1.808 -2.281 10.294 112 HA TYR 16 HA TYR 16 -0.599 -0.078 11.636 113 HB2 TYR 16 HB2 TYR 16 0.315 -0.867 9.531 114 HB3 TYR 16 HB3 TYR 16 -1.201 -0.519 8.706 115 HD1 TYR 16 HD1 TYR 16 1.447 1.207 10.706 116 HD2 TYR 16 HD2 TYR 16 -1.418 1.480 7.575 117 HE1 TYR 16 HE1 TYR 16 2.238 3.476 10.186 118 HE2 TYR 16 HE2 TYR 16 -0.629 3.743 7.045 119 HH TYR 16 HH TYR 16 0.530 5.581 8.119 120 H PHE 17 H PHE 17 -3.609 -0.419 9.727 121 HA PHE 17 HA PHE 17 -4.117 2.381 9.824 122 HB2 PHE 17 HB2 PHE 17 -5.885 2.021 8.440 123 HB3 PHE 17 HB3 PHE 17 -5.014 0.525 8.154 124 HD1 PHE 17 HD1 PHE 17 -7.938 2.049 9.754 125 HD2 PHE 17 HD2 PHE 17 -5.913 -1.579 8.855 126 HE1 PHE 17 HE1 PHE 17 -9.962 0.782 10.339 127 HE2 PHE 17 HE2 PHE 17 -7.929 -2.856 9.445 128 HZ PHE 17 HZ PHE 17 -9.959 -1.679 10.189 129 H GLU 18 H GLU 18 -5.021 -0.285 11.919 130 HA GLU 18 HA GLU 18 -7.138 0.969 13.277 131 HB2 GLU 18 HB2 GLU 18 -6.674 -0.580 15.126 132 HB3 GLU 18 HB3 GLU 18 -6.666 -1.405 13.571 133 HG2 GLU 18 HG2 GLU 18 -4.328 -1.607 13.573 134 HG3 GLU 18 HG3 GLU 18 -4.149 -0.436 14.876 135 H ARG 19 H ARG 19 -3.755 1.543 13.356 136 HA ARG 19 HA ARG 19 -3.876 3.016 15.876 137 HB2 ARG 19 HB2 ARG 19 -1.531 2.580 14.016 138 HB3 ARG 19 HB3 ARG 19 -1.464 3.195 15.661 139 HG2 ARG 19 HG2 ARG 19 -2.323 0.424 14.858 140 HG3 ARG 19 HG3 ARG 19 -0.756 0.871 15.537 141 HD2 ARG 19 HD2 ARG 19 -1.883 1.671 17.563 142 HD3 ARG 19 HD3 ARG 19 -3.432 1.178 16.888 143 HE ARG 19 HE ARG 19 -2.828 -1.083 17.153 144 HH11 ARG 19 HH11 ARG 19 -0.403 1.125 18.420 145 HH12 ARG 19 HH12 ARG 19 0.445 -0.112 19.294 146 HH21 ARG 19 HH21 ARG 19 -1.714 -2.700 18.343 147 HH22 ARG 19 HH22 ARG 19 -0.299 -2.263 19.260 148 H MET 20 H MET 20 -3.293 3.515 12.451 149 HA MET 20 HA MET 20 -2.667 6.314 12.783 150 HB2 MET 20 HB2 MET 20 -1.588 4.765 11.109 151 HB3 MET 20 HB3 MET 20 -3.097 4.789 10.212 152 HG2 MET 20 HG2 MET 20 -1.428 6.306 9.288 153 HG3 MET 20 HG3 MET 20 -2.869 7.161 9.824 154 HE1 MET 20 HE1 MET 20 0.116 5.710 11.970 155 HE2 MET 20 HE2 MET 20 1.150 7.133 12.102 156 HE3 MET 20 HE3 MET 20 0.905 6.365 10.534 157 H ILE 21 H ILE 21 -5.439 4.409 11.916 158 HA ILE 21 HA ILE 21 -6.960 6.711 10.954 159 HB ILE 21 HB ILE 21 -7.681 3.780 11.241 160 HG12 ILE 21 HG12 ILE 21 -6.007 4.190 9.525 161 HG13 ILE 21 HG13 ILE 21 -7.542 3.765 8.777 162 HG21 ILE 21 HG21 ILE 21 -9.276 5.971 9.923 163 HG22 ILE 21 HG22 ILE 21 -9.694 5.139 11.420 164 HG23 ILE 21 HG23 ILE 21 -9.660 4.250 9.897 165 HD11 ILE 21 HD11 ILE 21 -6.419 5.568 7.587 166 HD12 ILE 21 HD12 ILE 21 -6.434 6.552 9.053 167 HD13 ILE 21 HD13 ILE 21 -7.952 6.109 8.272 168 H ALA 22 H ALA 22 -6.106 5.553 13.897 169 HA ALA 22 HA ALA 22 -8.612 5.564 15.272 170 HB1 ALA 22 HB1 ALA 22 -5.802 5.721 16.352 171 HB2 ALA 22 HB2 ALA 22 -6.736 4.249 16.088 172 HB3 ALA 22 HB3 ALA 22 -7.255 5.418 17.303 173 H GLY 23 H GLY 23 -6.556 8.028 14.161 174 HA2 GLY 23 HA2 GLY 23 -7.290 9.926 16.244 175 HA3 GLY 23 HA3 GLY 23 -6.211 10.233 14.893 176 H ARG 24 H ARG 24 -6.975 11.321 13.185 177 HA ARG 24 HA ARG 24 -9.885 11.713 12.995 178 HB2 ARG 24 HB2 ARG 24 -7.658 13.687 12.830 179 HB3 ARG 24 HB3 ARG 24 -9.045 13.924 11.780 180 HG2 ARG 24 HG2 ARG 24 -9.263 15.199 13.829 181 HG3 ARG 24 HG3 ARG 24 -10.521 13.970 13.715 182 HD2 ARG 24 HD2 ARG 24 -9.368 12.563 15.268 183 HD3 ARG 24 HD3 ARG 24 -7.964 13.625 15.262 184 HE ARG 24 HE ARG 24 -10.571 14.590 16.237 185 HH11 ARG 24 HH11 ARG 24 -7.207 13.824 16.784 186 HH12 ARG 24 HH12 ARG 24 -7.108 14.668 18.297 187 HH21 ARG 24 HH21 ARG 24 -10.478 15.670 18.258 188 HH22 ARG 24 HH22 ARG 24 -8.990 15.706 19.148 189 H TRP 25 H TRP 25 -10.311 10.276 11.494 190 HA TRP 25 HA TRP 25 -8.781 10.317 8.992 191 HB2 TRP 25 HB2 TRP 25 -9.611 8.078 8.598 192 HB3 TRP 25 HB3 TRP 25 -8.946 8.155 10.219 193 HD1 TRP 25 HD1 TRP 25 -11.906 7.055 8.368 194 HE1 TRP 25 HE1 TRP 25 -13.832 6.432 9.955 195 HE3 TRP 25 HE3 TRP 25 -10.078 9.057 12.703 196 HZ2 TRP 25 HZ2 TRP 25 -14.486 6.735 12.674 197 HZ3 TRP 25 HZ3 TRP 25 -11.420 8.843 14.754 198 HH2 TRP 25 HH2 TRP 25 -13.579 7.706 14.738 199 H LYS 26 H LYS 26 -12.103 10.230 10.216 200 HA LYS 26 HA LYS 26 -14.069 11.015 9.463 201 HB2 LYS 26 HB2 LYS 26 -12.204 12.883 8.034 202 HB3 LYS 26 HB3 LYS 26 -13.950 13.022 7.879 203 HG2 LYS 26 HG2 LYS 26 -12.230 13.445 10.291 204 HG3 LYS 26 HG3 LYS 26 -13.433 14.519 9.575 205 HD2 LYS 26 HD2 LYS 26 -13.924 11.986 11.131 206 HD3 LYS 26 HD3 LYS 26 -14.354 13.631 11.597 207 HE2 LYS 26 HE2 LYS 26 -15.448 12.335 9.120 208 HE3 LYS 26 HE3 LYS 26 -16.208 12.115 10.688 209 HZ1 LYS 26 HZ1 LYS 26 -15.927 14.582 9.083 210 HZ2 LYS 26 HZ2 LYS 26 -16.209 14.672 10.752 211 HZ3 LYS 26 HZ3 LYS 26 -17.335 13.900 9.744 212 H HIS 27 H HIS 27 -12.427 9.033 7.718 213 HA HIS 27 HA HIS 27 -14.450 8.829 5.639 214 HB2 HIS 27 HB2 HIS 27 -11.519 8.842 4.868 215 HB3 HIS 27 HB3 HIS 27 -12.888 8.653 3.791 216 HD1 HIS 27 HD1 HIS 27 -10.756 11.206 5.386 217 HD2 HIS 27 HD2 HIS 27 -14.371 11.071 3.340 218 HE1 HIS 27 HE1 HIS 27 -11.243 13.577 4.720 219 HE2 HIS 27 HE2 HIS 27 -13.343 13.444 3.328 220 HA PRO 28 HA PRO 28 -12.820 4.999 7.751 221 HB2 PRO 28 HB2 PRO 28 -15.262 3.903 8.314 222 HB3 PRO 28 HB3 PRO 28 -14.427 5.036 9.383 223 HG2 PRO 28 HG2 PRO 28 -16.652 5.528 7.457 224 HG3 PRO 28 HG3 PRO 28 -16.398 6.207 9.073 225 HD2 PRO 28 HD2 PRO 28 -15.851 7.575 6.790 226 HD3 PRO 28 HD3 PRO 28 -14.962 7.829 8.304 227 H ASN 29 H ASN 29 -15.709 5.058 5.653 228 HA ASN 29 HA ASN 29 -15.323 2.422 4.679 229 HB2 ASN 29 HB2 ASN 29 -17.514 3.511 4.772 230 HB3 ASN 29 HB3 ASN 29 -16.969 4.724 3.619 231 HD21 ASN 29 HD21 ASN 29 -18.456 4.285 2.109 232 HD22 ASN 29 HD22 ASN 29 -18.486 2.816 1.205 233 H ILE 30 H ILE 30 -14.472 5.640 3.568 234 HA ILE 30 HA ILE 30 -13.795 5.013 0.930 235 HB ILE 30 HB ILE 30 -12.622 7.177 2.682 236 HG12 ILE 30 HG12 ILE 30 -14.980 7.150 0.795 237 HG13 ILE 30 HG13 ILE 30 -15.031 7.368 2.538 238 HG21 ILE 30 HG21 ILE 30 -12.620 6.863 -0.321 239 HG22 ILE 30 HG22 ILE 30 -11.218 6.791 0.745 240 HG23 ILE 30 HG23 ILE 30 -12.100 8.306 0.548 241 HD11 ILE 30 HD11 ILE 30 -13.795 9.269 0.560 242 HD12 ILE 30 HD12 ILE 30 -13.875 9.497 2.307 243 HD13 ILE 30 HD13 ILE 30 -15.358 9.465 1.353 244 H VAL 31 H VAL 31 -11.658 5.272 3.793 245 HA VAL 31 HA VAL 31 -9.348 4.514 2.336 246 HB VAL 31 HB VAL 31 -9.244 5.808 4.452 247 HG11 VAL 31 HG11 VAL 31 -10.903 4.666 5.773 248 HG12 VAL 31 HG12 VAL 31 -9.345 4.607 6.601 249 HG13 VAL 31 HG13 VAL 31 -9.947 3.183 5.750 250 HG21 VAL 31 HG21 VAL 31 -7.679 3.231 4.445 251 HG22 VAL 31 HG22 VAL 31 -7.260 4.682 5.355 252 HG23 VAL 31 HG23 VAL 31 -7.254 4.717 3.594 253 H ARG 32 H ARG 32 -11.719 2.706 4.211 254 HA ARG 32 HA ARG 32 -10.214 0.294 4.292 255 HB2 ARG 32 HB2 ARG 32 -11.983 0.838 5.920 256 HB3 ARG 32 HB3 ARG 32 -13.185 0.727 4.645 257 HG2 ARG 32 HG2 ARG 32 -13.075 -1.260 6.115 258 HG3 ARG 32 HG3 ARG 32 -12.822 -1.622 4.407 259 HD2 ARG 32 HD2 ARG 32 -10.484 -1.876 4.718 260 HD3 ARG 32 HD3 ARG 32 -10.557 -1.189 6.340 261 HE ARG 32 HE ARG 32 -10.989 -3.275 7.119 262 HH11 ARG 32 HH11 ARG 32 -11.988 -3.203 3.756 263 HH12 ARG 32 HH12 ARG 32 -12.420 -4.885 3.721 264 HH21 ARG 32 HH21 ARG 32 -11.522 -5.480 7.060 265 HH22 ARG 32 HH22 ARG 32 -12.178 -6.179 5.609 266 H SER 33 H SER 33 -12.711 1.562 2.135 267 HA SER 33 HA SER 33 -12.894 -0.795 0.553 268 HB2 SER 33 HB2 SER 33 -14.664 0.954 0.616 269 HB3 SER 33 HB3 SER 33 -13.568 2.056 -0.218 270 HG SER 33 HG SER 33 -13.875 -0.386 -1.446 271 H ARG 34 H ARG 34 -10.915 2.117 0.438 272 HA ARG 34 HA ARG 34 -9.811 1.648 -2.118 273 HB2 ARG 34 HB2 ARG 34 -9.659 3.848 -1.073 274 HB3 ARG 34 HB3 ARG 34 -8.641 3.189 0.203 275 HG2 ARG 34 HG2 ARG 34 -6.930 2.630 -1.440 276 HG3 ARG 34 HG3 ARG 34 -7.947 3.278 -2.726 277 HD2 ARG 34 HD2 ARG 34 -7.840 5.488 -1.721 278 HD3 ARG 34 HD3 ARG 34 -6.874 4.849 -0.389 279 HE ARG 34 HE ARG 34 -5.679 4.322 -2.940 280 HH11 ARG 34 HH11 ARG 34 -6.117 6.771 -0.479 281 HH12 ARG 34 HH12 ARG 34 -4.665 7.640 -0.888 282 HH21 ARG 34 HH21 ARG 34 -3.760 5.463 -3.492 283 HH22 ARG 34 HH22 ARG 34 -3.342 6.893 -2.601 284 H ILE 35 H ILE 35 -8.593 0.899 1.150 285 HA ILE 35 HA ILE 35 -6.115 -0.090 0.429 286 HB ILE 35 HB ILE 35 -7.898 -0.982 2.696 287 HG12 ILE 35 HG12 ILE 35 -5.499 0.864 2.614 288 HG13 ILE 35 HG13 ILE 35 -7.178 1.382 2.726 289 HG21 ILE 35 HG21 ILE 35 -6.305 -2.751 2.209 290 HG22 ILE 35 HG22 ILE 35 -5.876 -1.937 3.713 291 HG23 ILE 35 HG23 ILE 35 -4.978 -1.590 2.234 292 HD11 ILE 35 HD11 ILE 35 -7.370 0.256 4.888 293 HD12 ILE 35 HD12 ILE 35 -6.092 1.470 4.889 294 HD13 ILE 35 HD13 ILE 35 -5.682 -0.241 4.774 295 H GLU 36 H GLU 36 -9.133 -1.968 0.788 296 HA GLU 36 HA GLU 36 -7.845 -4.413 0.116 297 HB2 GLU 36 HB2 GLU 36 -10.762 -3.703 0.359 298 HB3 GLU 36 HB3 GLU 36 -10.173 -5.334 0.064 299 HG2 GLU 36 HG2 GLU 36 -9.636 -3.621 2.477 300 HG3 GLU 36 HG3 GLU 36 -10.640 -5.066 2.401 301 H LYS 37 H LYS 37 -9.076 -1.913 -1.857 302 HA LYS 37 HA LYS 37 -9.231 -3.786 -4.123 303 HB2 LYS 37 HB2 LYS 37 -11.274 -2.645 -4.015 304 HB3 LYS 37 HB3 LYS 37 -10.504 -1.114 -3.619 305 HG2 LYS 37 HG2 LYS 37 -11.381 -1.112 -5.888 306 HG3 LYS 37 HG3 LYS 37 -9.625 -0.949 -5.877 307 HD2 LYS 37 HD2 LYS 37 -9.580 -3.493 -6.217 308 HD3 LYS 37 HD3 LYS 37 -11.289 -3.332 -6.641 309 HE2 LYS 37 HE2 LYS 37 -10.655 -1.660 -8.349 310 HE3 LYS 37 HE3 LYS 37 -8.964 -1.948 -7.966 311 HZ1 LYS 37 HZ1 LYS 37 -10.856 -3.993 -9.002 312 HZ2 LYS 37 HZ2 LYS 37 -9.215 -4.243 -8.659 313 HZ3 LYS 37 HZ3 LYS 37 -9.668 -3.198 -9.916 314 H ASP 38 H ASP 38 -8.187 -0.466 -3.449 315 HA ASP 38 HA ASP 38 -6.724 -0.172 -5.847 316 HB2 ASP 38 HB2 ASP 38 -7.734 1.645 -4.405 317 HB3 ASP 38 HB3 ASP 38 -6.387 1.418 -3.301 318 H ILE 39 H ILE 39 -5.820 -1.107 -2.572 319 HA ILE 39 HA ILE 39 -2.992 -1.135 -3.285 320 HB ILE 39 HB ILE 39 -4.309 -1.684 -0.621 321 HG12 ILE 39 HG12 ILE 39 -2.911 0.797 -1.654 322 HG13 ILE 39 HG13 ILE 39 -4.647 0.629 -1.418 323 HG21 ILE 39 HG21 ILE 39 -2.073 -1.423 0.319 324 HG22 ILE 39 HG22 ILE 39 -1.410 -1.200 -1.301 325 HG23 ILE 39 HG23 ILE 39 -2.117 -2.749 -0.843 326 HD11 ILE 39 HD11 ILE 39 -4.285 0.348 0.981 327 HD12 ILE 39 HD12 ILE 39 -3.633 1.878 0.394 328 HD13 ILE 39 HD13 ILE 39 -2.548 0.529 0.736 329 H LYS 40 H LYS 40 -5.596 -3.390 -2.565 330 HA LYS 40 HA LYS 40 -3.726 -5.644 -2.817 331 HB2 LYS 40 HB2 LYS 40 -6.598 -6.108 -2.197 332 HB3 LYS 40 HB3 LYS 40 -5.172 -6.920 -1.570 333 HG2 LYS 40 HG2 LYS 40 -5.875 -4.114 -0.792 334 HG3 LYS 40 HG3 LYS 40 -6.542 -5.514 0.042 335 HD2 LYS 40 HD2 LYS 40 -3.590 -5.148 -0.330 336 HD3 LYS 40 HD3 LYS 40 -4.458 -4.434 1.034 337 HE2 LYS 40 HE2 LYS 40 -4.423 -7.358 0.310 338 HE3 LYS 40 HE3 LYS 40 -3.475 -6.604 1.585 339 HZ1 LYS 40 HZ1 LYS 40 -5.398 -6.133 2.830 340 HZ2 LYS 40 HZ2 LYS 40 -5.612 -7.727 2.281 341 HZ3 LYS 40 HZ3 LYS 40 -6.434 -6.456 1.531 342 HA PRO 41 HA PRO 41 -5.918 -5.989 -6.840 343 HB2 PRO 41 HB2 PRO 41 -3.756 -6.249 -8.435 344 HB3 PRO 41 HB3 PRO 41 -4.388 -4.676 -7.947 345 HG2 PRO 41 HG2 PRO 41 -1.978 -6.116 -7.010 346 HG3 PRO 41 HG3 PRO 41 -2.290 -4.376 -7.101 347 HD2 PRO 41 HD2 PRO 41 -2.439 -6.007 -4.800 348 HD3 PRO 41 HD3 PRO 41 -2.984 -4.328 -4.950 349 H ALA 42 H ALA 42 -2.836 -7.727 -6.302 350 HA ALA 42 HA ALA 42 -4.283 -10.260 -6.322 351 HB1 ALA 42 HB1 ALA 42 -2.754 -11.246 -7.965 352 HB2 ALA 42 HB2 ALA 42 -1.970 -9.679 -8.173 353 HB3 ALA 42 HB3 ALA 42 -3.651 -9.894 -8.655 354 H ILE 43 H ILE 43 -2.616 -8.474 -4.503 355 HA ILE 43 HA ILE 43 -0.653 -10.515 -3.691 356 HB ILE 43 HB ILE 43 0.637 -8.576 -2.681 357 HG12 ILE 43 HG12 ILE 43 -0.981 -6.944 -4.640 358 HG13 ILE 43 HG13 ILE 43 -1.326 -6.989 -2.915 359 HG21 ILE 43 HG21 ILE 43 1.730 -8.014 -4.815 360 HG22 ILE 43 HG22 ILE 43 0.381 -8.746 -5.680 361 HG23 ILE 43 HG23 ILE 43 1.414 -9.742 -4.656 362 HD11 ILE 43 HD11 ILE 43 -0.031 -5.027 -3.486 363 HD12 ILE 43 HD12 ILE 43 1.225 -6.036 -4.200 364 HD13 ILE 43 HD13 ILE 43 0.918 -6.106 -2.464 365 H GLY 44 H GLY 44 -3.552 -9.656 -2.874 366 HA2 GLY 44 HA2 GLY 44 -3.361 -8.600 -0.250 367 HA3 GLY 44 HA3 GLY 44 -4.755 -9.429 -0.920 368 H SER 45 H SER 45 -3.255 -11.867 -1.480 369 HA SER 45 HA SER 45 -3.283 -12.962 1.230 370 HB2 SER 45 HB2 SER 45 -3.135 -14.460 -1.394 371 HB3 SER 45 HB3 SER 45 -3.598 -15.099 0.185 372 HG SER 45 HG SER 45 -5.379 -13.524 0.071 373 H LEU 46 H LEU 46 -1.052 -11.398 -0.120 374 HA LEU 46 HA LEU 46 1.075 -13.430 -0.037 375 HB2 LEU 46 HB2 LEU 46 0.579 -11.917 -2.105 376 HB3 LEU 46 HB3 LEU 46 1.374 -10.668 -1.170 377 HG LEU 46 HG LEU 46 3.411 -12.060 -1.073 378 HD11 LEU 46 HD11 LEU 46 3.586 -14.024 -2.526 379 HD12 LEU 46 HD12 LEU 46 1.871 -13.891 -2.911 380 HD13 LEU 46 HD13 LEU 46 2.376 -14.259 -1.262 381 HD21 LEU 46 HD21 LEU 46 3.108 -10.370 -2.831 382 HD22 LEU 46 HD22 LEU 46 2.373 -11.595 -3.868 383 HD23 LEU 46 HD23 LEU 46 4.065 -11.743 -3.392 384 H LYS 47 H LYS 47 3.043 -12.896 1.105 385 HA LYS 47 HA LYS 47 2.539 -11.452 3.532 386 HB2 LYS 47 HB2 LYS 47 5.088 -12.675 2.479 387 HB3 LYS 47 HB3 LYS 47 4.916 -11.957 4.069 388 HG2 LYS 47 HG2 LYS 47 3.137 -13.662 4.536 389 HG3 LYS 47 HG3 LYS 47 3.598 -14.441 3.018 390 HD2 LYS 47 HD2 LYS 47 5.295 -14.017 5.474 391 HD3 LYS 47 HD3 LYS 47 4.796 -15.544 4.752 392 HE2 LYS 47 HE2 LYS 47 6.140 -15.033 2.764 393 HE3 LYS 47 HE3 LYS 47 6.641 -13.517 3.499 394 HZ1 LYS 47 HZ1 LYS 47 7.305 -16.259 4.411 395 HZ2 LYS 47 HZ2 LYS 47 7.611 -14.871 5.337 396 HZ3 LYS 47 HZ3 LYS 47 8.371 -15.074 3.837 397 H VAL 48 H VAL 48 4.378 -9.999 4.345 398 HA VAL 48 HA VAL 48 4.582 -7.741 2.545 399 HB VAL 48 HB VAL 48 5.823 -8.045 5.286 400 HG11 VAL 48 HG11 VAL 48 5.769 -5.595 5.312 401 HG12 VAL 48 HG12 VAL 48 5.125 -5.598 3.670 402 HG13 VAL 48 HG13 VAL 48 6.747 -6.220 3.982 403 HG21 VAL 48 HG21 VAL 48 3.844 -6.884 6.158 404 HG22 VAL 48 HG22 VAL 48 3.429 -8.442 5.445 405 HG23 VAL 48 HG23 VAL 48 3.105 -6.953 4.558 406 H GLU 49 H GLU 49 6.482 -10.385 3.614 407 HA GLU 49 HA GLU 49 9.045 -9.417 2.855 408 HB2 GLU 49 HB2 GLU 49 8.713 -11.249 4.460 409 HB3 GLU 49 HB3 GLU 49 8.002 -12.237 3.194 410 HG2 GLU 49 HG2 GLU 49 10.158 -12.185 1.995 411 HG3 GLU 49 HG3 GLU 49 10.851 -11.288 3.348 412 H ASP 50 H ASP 50 6.330 -10.522 1.136 413 HA ASP 50 HA ASP 50 7.886 -11.428 -1.163 414 HB2 ASP 50 HB2 ASP 50 4.955 -11.610 -0.483 415 HB3 ASP 50 HB3 ASP 50 5.592 -12.046 -2.063 416 H VAL 51 H VAL 51 6.064 -8.682 -0.097 417 HA VAL 51 HA VAL 51 5.365 -7.825 -2.740 418 HB VAL 51 HB VAL 51 3.900 -7.165 -0.946 419 HG11 VAL 51 HG11 VAL 51 6.219 -5.602 0.173 420 HG12 VAL 51 HG12 VAL 51 5.463 -7.023 0.894 421 HG13 VAL 51 HG13 VAL 51 4.552 -5.518 0.748 422 HG21 VAL 51 HG21 VAL 51 4.051 -5.704 -2.894 423 HG22 VAL 51 HG22 VAL 51 5.311 -4.763 -2.096 424 HG23 VAL 51 HG23 VAL 51 3.677 -4.790 -1.433 425 H LYS 52 H LYS 52 7.313 -7.910 -3.771 426 HA LYS 52 HA LYS 52 9.424 -6.065 -3.061 427 HB2 LYS 52 HB2 LYS 52 10.531 -7.074 -5.081 428 HB3 LYS 52 HB3 LYS 52 10.119 -8.214 -3.812 429 HG2 LYS 52 HG2 LYS 52 7.970 -8.607 -5.187 430 HG3 LYS 52 HG3 LYS 52 8.881 -7.855 -6.500 431 HD2 LYS 52 HD2 LYS 52 9.093 -10.299 -6.536 432 HD3 LYS 52 HD3 LYS 52 10.647 -9.515 -6.238 433 HE2 LYS 52 HE2 LYS 52 10.420 -9.947 -3.847 434 HE3 LYS 52 HE3 LYS 52 8.848 -10.694 -4.121 435 HZ1 LYS 52 HZ1 LYS 52 11.420 -11.682 -5.227 436 HZ2 LYS 52 HZ2 LYS 52 9.904 -12.423 -5.400 437 HZ3 LYS 52 HZ3 LYS 52 10.630 -12.322 -3.871 438 HA PRO 53 HA PRO 53 8.647 -2.519 -5.459 439 HB2 PRO 53 HB2 PRO 53 10.988 -3.177 -7.193 440 HB3 PRO 53 HB3 PRO 53 10.591 -1.672 -6.356 441 HG2 PRO 53 HG2 PRO 53 12.451 -3.304 -5.387 442 HG3 PRO 53 HG3 PRO 53 11.326 -2.464 -4.304 443 HD2 PRO 53 HD2 PRO 53 11.377 -5.320 -5.141 444 HD3 PRO 53 HD3 PRO 53 10.873 -4.603 -3.599 445 H ARG 54 H ARG 54 9.323 -5.389 -7.431 446 HA ARG 54 HA ARG 54 8.370 -4.382 -9.861 447 HB2 ARG 54 HB2 ARG 54 9.040 -7.010 -8.785 448 HB3 ARG 54 HB3 ARG 54 7.775 -7.055 -10.013 449 HG2 ARG 54 HG2 ARG 54 10.496 -5.798 -10.306 450 HG3 ARG 54 HG3 ARG 54 9.948 -7.312 -11.037 451 HD2 ARG 54 HD2 ARG 54 8.407 -6.205 -12.422 452 HD3 ARG 54 HD3 ARG 54 8.514 -4.715 -11.494 453 HE ARG 54 HE ARG 54 11.041 -5.331 -12.591 454 HH11 ARG 54 HH11 ARG 54 7.843 -4.307 -13.601 455 HH12 ARG 54 HH12 ARG 54 8.430 -3.294 -14.893 456 HH21 ARG 54 HH21 ARG 54 11.826 -4.006 -14.289 457 HH22 ARG 54 HH22 ARG 54 10.698 -3.118 -15.274 458 H HIS 55 H HIS 55 6.637 -5.701 -7.137 459 HA HIS 55 HA HIS 55 4.122 -5.907 -8.493 460 HB2 HIS 55 HB2 HIS 55 4.653 -5.620 -5.522 461 HB3 HIS 55 HB3 HIS 55 3.121 -6.087 -6.250 462 HD1 HIS 55 HD1 HIS 55 3.178 -8.467 -7.570 463 HD2 HIS 55 HD2 HIS 55 6.314 -7.671 -4.954 464 HE1 HIS 55 HE1 HIS 55 4.284 -10.683 -7.120 465 HE2 HIS 55 HE2 HIS 55 6.064 -10.208 -5.415 466 H ILE 56 H ILE 56 5.827 -3.444 -6.702 467 HA ILE 56 HA ILE 56 3.675 -1.635 -6.357 468 HB ILE 56 HB ILE 56 6.636 -1.025 -6.456 469 HG12 ILE 56 HG12 ILE 56 6.161 -2.736 -4.780 470 HG13 ILE 56 HG13 ILE 56 6.558 -1.212 -3.996 471 HG21 ILE 56 HG21 ILE 56 5.280 0.977 -6.663 472 HG22 ILE 56 HG22 ILE 56 6.064 0.926 -5.083 473 HG23 ILE 56 HG23 ILE 56 4.353 0.520 -5.233 474 HD11 ILE 56 HD11 ILE 56 3.792 -2.332 -4.382 475 HD12 ILE 56 HD12 ILE 56 4.184 -0.800 -3.599 476 HD13 ILE 56 HD13 ILE 56 4.715 -2.321 -2.880 477 H ASP 57 H ASP 57 5.987 -2.182 -8.936 478 HA ASP 57 HA ASP 57 5.629 0.257 -10.318 479 HB2 ASP 57 HB2 ASP 57 7.533 -1.237 -10.745 480 HB3 ASP 57 HB3 ASP 57 6.444 -2.464 -11.382 481 H ASP 58 H ASP 58 4.074 -2.907 -10.647 482 HA ASP 58 HA ASP 58 2.436 -2.134 -12.834 483 HB2 ASP 58 HB2 ASP 58 2.352 -4.438 -10.912 484 HB3 ASP 58 HB3 ASP 58 1.049 -4.177 -12.066 485 H VAL 59 H VAL 59 1.883 -2.251 -9.322 486 HA VAL 59 HA VAL 59 -0.874 -1.637 -9.525 487 HB VAL 59 HB VAL 59 -0.862 -1.176 -7.143 488 HG11 VAL 59 HG11 VAL 59 0.021 -3.342 -6.354 489 HG12 VAL 59 HG12 VAL 59 0.804 -3.558 -7.921 490 HG13 VAL 59 HG13 VAL 59 -0.954 -3.475 -7.817 491 HG21 VAL 59 HG21 VAL 59 2.143 -1.384 -7.310 492 HG22 VAL 59 HG22 VAL 59 1.204 -1.307 -5.819 493 HG23 VAL 59 HG23 VAL 59 1.211 0.064 -6.928 494 H LEU 60 H LEU 60 2.000 0.398 -9.210 495 HA LEU 60 HA LEU 60 0.640 2.847 -8.793 496 HB2 LEU 60 HB2 LEU 60 3.326 2.207 -10.013 497 HB3 LEU 60 HB3 LEU 60 2.758 3.847 -9.799 498 HG LEU 60 HG LEU 60 3.261 1.838 -7.610 499 HD11 LEU 60 HD11 LEU 60 5.058 3.370 -6.971 500 HD12 LEU 60 HD12 LEU 60 4.703 4.368 -8.381 501 HD13 LEU 60 HD13 LEU 60 5.296 2.720 -8.593 502 HD21 LEU 60 HD21 LEU 60 2.792 3.696 -6.076 503 HD22 LEU 60 HD22 LEU 60 1.378 3.268 -7.042 504 HD23 LEU 60 HD23 LEU 60 2.324 4.701 -7.448 505 H LYS 61 H LYS 61 1.649 1.143 -11.709 506 HA LYS 61 HA LYS 61 0.758 3.034 -13.583 507 HB2 LYS 61 HB2 LYS 61 2.248 1.337 -14.264 508 HB3 LYS 61 HB3 LYS 61 1.252 0.070 -13.575 509 HG2 LYS 61 HG2 LYS 61 -0.412 0.440 -15.336 510 HG3 LYS 61 HG3 LYS 61 0.636 1.681 -16.036 511 HD2 LYS 61 HD2 LYS 61 0.864 -0.550 -17.098 512 HD3 LYS 61 HD3 LYS 61 2.371 0.077 -16.440 513 HE2 LYS 61 HE2 LYS 61 1.765 -1.276 -14.340 514 HE3 LYS 61 HE3 LYS 61 0.599 -2.100 -15.374 515 HZ1 LYS 61 HZ1 LYS 61 2.396 -2.766 -16.832 516 HZ2 LYS 61 HZ2 LYS 61 2.700 -3.292 -15.244 517 HZ3 LYS 61 HZ3 LYS 61 3.523 -1.942 -15.864 518 H ALA 62 H ALA 62 -0.811 0.306 -11.970 519 HA ALA 62 HA ALA 62 -3.257 0.441 -13.385 520 HB1 ALA 62 HB1 ALA 62 -4.143 -0.985 -11.600 521 HB2 ALA 62 HB2 ALA 62 -2.686 -0.692 -10.649 522 HB3 ALA 62 HB3 ALA 62 -2.579 -1.558 -12.182 523 H VAL 63 H VAL 63 -2.271 1.763 -10.219 524 HA VAL 63 HA VAL 63 -4.811 2.882 -9.638 525 HB VAL 63 HB VAL 63 -3.702 4.117 -7.842 526 HG11 VAL 63 HG11 VAL 63 -2.677 1.298 -8.069 527 HG12 VAL 63 HG12 VAL 63 -4.268 1.774 -7.478 528 HG13 VAL 63 HG13 VAL 63 -2.822 2.236 -6.581 529 HG21 VAL 63 HG21 VAL 63 -1.301 3.932 -7.470 530 HG22 VAL 63 HG22 VAL 63 -1.672 4.779 -8.972 531 HG23 VAL 63 HG23 VAL 63 -1.131 3.101 -9.015 532 H MET 64 H MET 64 -2.083 4.018 -11.461 533 HA MET 64 HA MET 64 -2.847 6.763 -11.521 534 HB2 MET 64 HB2 MET 64 -0.555 6.098 -11.979 535 HB3 MET 64 HB3 MET 64 -1.078 5.154 -13.367 536 HG2 MET 64 HG2 MET 64 -1.808 7.199 -14.483 537 HG3 MET 64 HG3 MET 64 -1.288 8.141 -13.088 538 HE1 MET 64 HE1 MET 64 1.414 6.652 -12.263 539 HE2 MET 64 HE2 MET 64 1.251 8.407 -12.341 540 HE3 MET 64 HE3 MET 64 2.598 7.611 -13.155 541 H LYS 65 H LYS 65 -3.275 4.042 -13.747 542 HA LYS 65 HA LYS 65 -4.587 5.591 -15.742 543 HB2 LYS 65 HB2 LYS 65 -4.980 3.474 -16.859 544 HB3 LYS 65 HB3 LYS 65 -3.337 3.554 -16.251 545 HG2 LYS 65 HG2 LYS 65 -4.170 2.234 -14.254 546 HG3 LYS 65 HG3 LYS 65 -5.629 1.944 -15.203 547 HD2 LYS 65 HD2 LYS 65 -2.829 1.268 -16.083 548 HD3 LYS 65 HD3 LYS 65 -3.970 0.120 -15.385 549 HE2 LYS 65 HE2 LYS 65 -5.500 0.494 -17.248 550 HE3 LYS 65 HE3 LYS 65 -4.388 1.679 -17.935 551 HZ1 LYS 65 HZ1 LYS 65 -4.286 -0.627 -18.899 552 HZ2 LYS 65 HZ2 LYS 65 -3.603 -1.135 -17.432 553 HZ3 LYS 65 HZ3 LYS 65 -2.806 0.016 -18.384 554 H ARG 66 H ARG 66 -5.696 3.582 -13.093 555 HA ARG 66 HA ARG 66 -8.428 3.522 -13.875 556 HB2 ARG 66 HB2 ARG 66 -8.918 2.699 -11.651 557 HB3 ARG 66 HB3 ARG 66 -7.484 1.905 -12.287 558 HG2 ARG 66 HG2 ARG 66 -6.060 3.309 -10.925 559 HG3 ARG 66 HG3 ARG 66 -7.466 4.201 -10.340 560 HD2 ARG 66 HD2 ARG 66 -6.608 2.470 -8.759 561 HD3 ARG 66 HD3 ARG 66 -8.303 2.279 -9.198 562 HE ARG 66 HE ARG 66 -7.264 0.627 -10.932 563 HH11 ARG 66 HH11 ARG 66 -6.161 1.111 -7.629 564 HH12 ARG 66 HH12 ARG 66 -5.703 -0.556 -7.422 565 HH21 ARG 66 HH21 ARG 66 -6.684 -1.544 -10.648 566 HH22 ARG 66 HH22 ARG 66 -6.026 -2.076 -9.126 567 H GLY 67 H GLY 67 -6.535 5.987 -12.417 568 HA2 GLY 67 HA2 GLY 67 -8.955 7.609 -12.124 569 HA3 GLY 67 HA3 GLY 67 -7.929 7.417 -10.711 570 H ALA 68 H ALA 68 -5.818 8.297 -10.741 571 HA ALA 68 HA ALA 68 -5.071 10.101 -12.871 572 HB1 ALA 68 HB1 ALA 68 -5.823 11.193 -10.157 573 HB2 ALA 68 HB2 ALA 68 -6.726 11.437 -11.653 574 HB3 ALA 68 HB3 ALA 68 -5.106 12.115 -11.478 575 HA PRO 69 HA PRO 69 -0.966 9.281 -11.444 576 HB2 PRO 69 HB2 PRO 69 0.125 11.837 -11.523 577 HB3 PRO 69 HB3 PRO 69 0.021 10.724 -12.888 578 HG2 PRO 69 HG2 PRO 69 -1.758 13.009 -12.170 579 HG3 PRO 69 HG3 PRO 69 -1.216 12.463 -13.766 580 HD2 PRO 69 HD2 PRO 69 -3.688 11.935 -12.879 581 HD3 PRO 69 HD3 PRO 69 -2.783 10.758 -13.857 582 H SER 70 H SER 70 -2.667 11.991 -9.952 583 HA SER 70 HA SER 70 -1.011 12.310 -7.708 584 HB2 SER 70 HB2 SER 70 -3.981 12.839 -7.954 585 HB3 SER 70 HB3 SER 70 -2.923 13.477 -6.695 586 HG SER 70 HG SER 70 -2.229 14.954 -8.023 587 H ILE 71 H ILE 71 -3.530 10.000 -8.432 588 HA ILE 71 HA ILE 71 -3.974 9.095 -5.783 589 HB ILE 71 HB ILE 71 -4.325 7.619 -8.400 590 HG12 ILE 71 HG12 ILE 71 -6.301 9.107 -6.654 591 HG13 ILE 71 HG13 ILE 71 -5.685 9.657 -8.209 592 HG21 ILE 71 HG21 ILE 71 -5.407 6.950 -5.662 593 HG22 ILE 71 HG22 ILE 71 -4.126 6.080 -6.503 594 HG23 ILE 71 HG23 ILE 71 -5.763 6.088 -7.159 595 HD11 ILE 71 HD11 ILE 71 -6.756 7.773 -9.310 596 HD12 ILE 71 HD12 ILE 71 -7.926 8.735 -8.405 597 HD13 ILE 71 HD13 ILE 71 -7.357 7.198 -7.754 598 H ALA 72 H ALA 72 -1.843 7.992 -8.395 599 HA ALA 72 HA ALA 72 -0.630 5.841 -7.092 600 HB1 ALA 72 HB1 ALA 72 -0.352 6.317 -9.485 601 HB2 ALA 72 HB2 ALA 72 1.200 6.112 -8.673 602 HB3 ALA 72 HB3 ALA 72 0.627 7.728 -9.084 603 H ASN 73 H ASN 73 0.182 9.275 -7.107 604 HA ASN 73 HA ASN 73 2.496 9.178 -5.526 605 HB2 ASN 73 HB2 ASN 73 0.405 11.365 -5.701 606 HB3 ASN 73 HB3 ASN 73 2.009 11.553 -5.006 607 HD21 ASN 73 HD21 ASN 73 0.807 12.993 -7.164 608 HD22 ASN 73 HD22 ASN 73 1.813 12.739 -8.551 609 H ASP 74 H ASP 74 -0.872 9.795 -4.616 610 HA ASP 74 HA ASP 74 -0.453 10.011 -1.853 611 HB2 ASP 74 HB2 ASP 74 -2.522 10.688 -3.126 612 HB3 ASP 74 HB3 ASP 74 -2.969 8.987 -3.174 613 H THR 75 H THR 75 -1.032 7.170 -3.881 614 HA THR 75 HA THR 75 -1.338 5.290 -1.811 615 HB THR 75 HB THR 75 -0.112 4.843 -4.547 616 HG1 THR 75 HG1 THR 75 -2.480 3.967 -4.696 617 HG21 THR 75 HG21 THR 75 -1.398 2.895 -2.624 618 HG22 THR 75 HG22 THR 75 0.324 2.998 -2.989 619 HG23 THR 75 HG23 THR 75 -0.816 2.515 -4.246 620 H LEU 76 H LEU 76 1.600 6.200 -3.649 621 HA LEU 76 HA LEU 76 3.449 4.673 -2.211 622 HB2 LEU 76 HB2 LEU 76 3.762 7.334 -3.595 623 HB3 LEU 76 HB3 LEU 76 5.111 6.423 -2.943 624 HG LEU 76 HG LEU 76 3.254 5.386 -5.080 625 HD11 LEU 76 HD11 LEU 76 4.518 7.340 -5.857 626 HD12 LEU 76 HD12 LEU 76 5.058 5.854 -6.640 627 HD13 LEU 76 HD13 LEU 76 6.019 6.565 -5.343 628 HD21 LEU 76 HD21 LEU 76 4.976 3.686 -5.381 629 HD22 LEU 76 HD22 LEU 76 4.354 3.663 -3.730 630 HD23 LEU 76 HD23 LEU 76 5.920 4.397 -4.072 631 H ARG 77 H ARG 77 2.262 7.922 -1.683 632 HA ARG 77 HA ARG 77 3.813 8.823 0.402 633 HB2 ARG 77 HB2 ARG 77 1.855 9.880 -0.952 634 HB3 ARG 77 HB3 ARG 77 0.841 9.244 0.330 635 HG2 ARG 77 HG2 ARG 77 2.081 10.572 1.964 636 HG3 ARG 77 HG3 ARG 77 3.088 11.218 0.662 637 HD2 ARG 77 HD2 ARG 77 0.951 11.978 -0.444 638 HD3 ARG 77 HD3 ARG 77 0.128 11.572 1.059 639 HE ARG 77 HE ARG 77 2.351 13.484 1.100 640 HH11 ARG 77 HH11 ARG 77 -1.033 12.742 1.560 641 HH12 ARG 77 HH12 ARG 77 -1.427 14.315 2.189 642 HH21 ARG 77 HH21 ARG 77 1.848 15.558 1.941 643 HH22 ARG 77 HH22 ARG 77 0.214 15.907 2.429 644 H TRP 78 H TRP 78 0.921 6.791 0.526 645 HA TRP 78 HA TRP 78 0.906 6.545 3.380 646 HB2 TRP 78 HB2 TRP 78 -1.118 6.414 1.928 647 HB3 TRP 78 HB3 TRP 78 -0.524 4.888 1.289 648 HD1 TRP 78 HD1 TRP 78 -1.192 2.753 2.575 649 HE1 TRP 78 HE1 TRP 78 -2.448 2.281 4.771 650 HE3 TRP 78 HE3 TRP 78 -1.403 7.516 4.436 651 HZ2 TRP 78 HZ2 TRP 78 -3.403 3.733 6.992 652 HZ3 TRP 78 HZ3 TRP 78 -2.515 7.884 6.600 653 HH2 TRP 78 HH2 TRP 78 -3.491 6.030 7.850 654 H LEU 79 H LEU 79 1.959 4.525 0.674 655 HA LEU 79 HA LEU 79 2.327 2.104 1.984 656 HB2 LEU 79 HB2 LEU 79 3.907 3.233 -0.322 657 HB3 LEU 79 HB3 LEU 79 3.937 1.557 0.184 658 HG LEU 79 HG LEU 79 1.546 3.031 -0.917 659 HD11 LEU 79 HD11 LEU 79 3.255 2.532 -2.594 660 HD12 LEU 79 HD12 LEU 79 1.808 1.554 -2.837 661 HD13 LEU 79 HD13 LEU 79 3.243 0.838 -2.104 662 HD21 LEU 79 HD21 LEU 79 1.849 0.142 -0.108 663 HD22 LEU 79 HD22 LEU 79 0.436 0.855 -0.888 664 HD23 LEU 79 HD23 LEU 79 0.894 1.360 0.739 665 H LYS 80 H LYS 80 4.656 4.759 1.586 666 HA LYS 80 HA LYS 80 6.950 3.506 2.501 667 HB2 LYS 80 HB2 LYS 80 6.167 6.368 3.061 668 HB3 LYS 80 HB3 LYS 80 7.798 5.713 3.004 669 HG2 LYS 80 HG2 LYS 80 7.612 5.312 0.644 670 HG3 LYS 80 HG3 LYS 80 5.914 5.796 0.656 671 HD2 LYS 80 HD2 LYS 80 7.165 7.640 -0.158 672 HD3 LYS 80 HD3 LYS 80 6.670 8.041 1.485 673 HE2 LYS 80 HE2 LYS 80 8.796 8.465 1.939 674 HE3 LYS 80 HE3 LYS 80 9.106 6.740 1.778 675 HZ1 LYS 80 HZ1 LYS 80 10.613 7.842 0.343 676 HZ2 LYS 80 HZ2 LYS 80 9.407 8.827 -0.319 677 HZ3 LYS 80 HZ3 LYS 80 9.428 7.169 -0.662 678 H ARG 81 H ARG 81 4.759 5.520 4.445 679 HA ARG 81 HA ARG 81 5.850 4.930 6.945 680 HB2 ARG 81 HB2 ARG 81 3.281 6.020 5.985 681 HB3 ARG 81 HB3 ARG 81 3.257 5.314 7.593 682 HG2 ARG 81 HG2 ARG 81 5.057 6.781 8.293 683 HG3 ARG 81 HG3 ARG 81 5.140 7.470 6.670 684 HD2 ARG 81 HD2 ARG 81 3.057 8.499 6.875 685 HD3 ARG 81 HD3 ARG 81 2.597 7.503 8.254 686 HE ARG 81 HE ARG 81 4.106 8.772 9.621 687 HH11 ARG 81 HH11 ARG 81 3.598 10.091 6.414 688 HH12 ARG 81 HH12 ARG 81 4.082 11.694 6.870 689 HH21 ARG 81 HH21 ARG 81 4.737 10.865 10.229 690 HH22 ARG 81 HH22 ARG 81 4.733 12.141 9.043 691 H MET 82 H MET 82 3.382 3.201 5.112 692 HA MET 82 HA MET 82 2.586 1.447 7.163 693 HB2 MET 82 HB2 MET 82 1.334 1.795 5.050 694 HB3 MET 82 HB3 MET 82 2.586 0.905 4.190 695 HG2 MET 82 HG2 MET 82 2.085 -1.082 5.526 696 HG3 MET 82 HG3 MET 82 0.825 -0.191 6.374 697 HE1 MET 82 HE1 MET 82 0.662 -1.295 1.889 698 HE2 MET 82 HE2 MET 82 1.941 -1.826 2.983 699 HE3 MET 82 HE3 MET 82 1.802 -0.122 2.549 700 H PHE 83 H PHE 83 5.118 1.124 4.690 701 HA PHE 83 HA PHE 83 5.831 -1.536 5.349 702 HB2 PHE 83 HB2 PHE 83 7.304 0.667 3.920 703 HB3 PHE 83 HB3 PHE 83 8.043 -0.903 4.212 704 HD1 PHE 83 HD2 PHE 83 6.306 -2.915 3.572 705 HD2 PHE 83 HD1 PHE 83 6.464 0.961 1.824 706 HE1 PHE 83 HE2 PHE 83 5.244 -3.796 1.535 707 HE2 PHE 83 HE1 PHE 83 5.403 0.088 -0.216 708 HZ PHE 83 HZ PHE 83 4.789 -2.295 -0.360 709 H ASN 84 H ASN 84 6.607 1.515 6.791 710 HA ASN 84 HA ASN 84 8.971 0.829 8.148 711 HB2 ASN 84 HB2 ASN 84 8.097 3.141 7.992 712 HB3 ASN 84 HB3 ASN 84 6.774 2.701 9.068 713 HD21 ASN 84 HD21 ASN 84 7.214 3.963 10.764 714 HD22 ASN 84 HD22 ASN 84 8.663 3.862 11.715 715 H TYR 85 H TYR 85 5.576 0.357 8.954 716 HA TYR 85 HA TYR 85 5.903 -0.554 11.605 717 HB2 TYR 85 HB2 TYR 85 3.755 0.145 10.279 718 HB3 TYR 85 HB3 TYR 85 3.712 -1.547 9.802 719 HD1 TYR 85 HD1 TYR 85 3.481 -3.315 11.582 720 HD2 TYR 85 HD2 TYR 85 3.043 0.833 12.423 721 HE1 TYR 85 HE1 TYR 85 2.337 -3.866 13.689 722 HE2 TYR 85 HE2 TYR 85 1.902 0.292 14.530 723 HH TYR 85 HH TYR 85 0.562 -1.685 15.440 724 H ALA 86 H ALA 86 6.064 -2.139 8.487 725 HA ALA 86 HA ALA 86 6.052 -4.813 9.419 726 HB1 ALA 86 HB1 ALA 86 6.836 -5.407 7.210 727 HB2 ALA 86 HB2 ALA 86 7.268 -3.729 6.879 728 HB3 ALA 86 HB3 ALA 86 5.574 -4.182 7.084 729 H ILE 87 H ILE 87 8.691 -2.582 8.567 730 HA ILE 87 HA ILE 87 10.816 -4.324 9.178 731 HB ILE 87 HB ILE 87 10.763 -1.309 9.424 732 HG12 ILE 87 HG12 ILE 87 11.542 -3.113 7.123 733 HG13 ILE 87 HG13 ILE 87 10.149 -2.035 7.181 734 HG21 ILE 87 HG21 ILE 87 13.205 -1.466 9.155 735 HG22 ILE 87 HG22 ILE 87 13.085 -3.226 9.207 736 HG23 ILE 87 HG23 ILE 87 12.646 -2.268 10.620 737 HD11 ILE 87 HD11 ILE 87 11.911 -1.085 5.836 738 HD12 ILE 87 HD12 ILE 87 13.040 -1.211 7.184 739 HD13 ILE 87 HD13 ILE 87 11.663 -0.114 7.287 740 H LYS 88 H LYS 88 9.030 -2.005 11.111 741 HA LYS 88 HA LYS 88 10.379 -2.221 13.522 742 HB2 LYS 88 HB2 LYS 88 8.767 -0.501 13.194 743 HB3 LYS 88 HB3 LYS 88 7.498 -1.658 12.834 744 HG2 LYS 88 HG2 LYS 88 8.752 -1.733 15.526 745 HG3 LYS 88 HG3 LYS 88 7.629 -0.423 15.145 746 HD2 LYS 88 HD2 LYS 88 5.977 -2.153 14.425 747 HD3 LYS 88 HD3 LYS 88 7.091 -3.387 15.012 748 HE2 LYS 88 HE2 LYS 88 5.877 -1.190 16.663 749 HE3 LYS 88 HE3 LYS 88 5.334 -2.864 16.635 750 HZ1 LYS 88 HZ1 LYS 88 7.566 -3.510 17.431 751 HZ2 LYS 88 HZ2 LYS 88 6.730 -2.522 18.530 752 HZ3 LYS 88 HZ3 LYS 88 7.969 -1.866 17.578 753 H ARG 89 H ARG 89 7.690 -4.203 12.281 754 HA ARG 89 HA ARG 89 7.854 -5.963 14.572 755 HB2 ARG 89 HB2 ARG 89 6.132 -6.027 12.102 756 HB3 ARG 89 HB3 ARG 89 6.085 -7.274 13.341 757 HG2 ARG 89 HG2 ARG 89 5.721 -5.192 14.920 758 HG3 ARG 89 HG3 ARG 89 5.123 -4.470 13.426 759 HD2 ARG 89 HD2 ARG 89 3.313 -5.499 14.702 760 HD3 ARG 89 HD3 ARG 89 3.546 -6.310 13.153 761 HE ARG 89 HE ARG 89 5.038 -7.833 14.761 762 HH11 ARG 89 HH11 ARG 89 1.779 -6.588 15.160 763 HH12 ARG 89 HH12 ARG 89 1.269 -7.932 16.135 764 HH21 ARG 89 HH21 ARG 89 4.351 -9.581 16.053 765 HH22 ARG 89 HH22 ARG 89 2.711 -9.634 16.630 766 H HIS 90 H HIS 90 9.987 -5.690 12.301 767 HA HIS 90 HA HIS 90 11.735 -7.027 11.715 768 HB2 HIS 90 HB2 HIS 90 10.397 -9.290 13.200 769 HB3 HIS 90 HB3 HIS 90 12.099 -9.135 12.794 770 HD1 HIS 90 HD1 HIS 90 10.179 -9.107 15.623 771 HD2 HIS 90 HD2 HIS 90 12.927 -6.377 14.112 772 HE1 HIS 90 HE1 HIS 90 10.947 -7.744 17.602 773 HE2 HIS 90 HE2 HIS 90 12.785 -6.277 16.692 774 H ILE 91 H ILE 91 8.954 -7.105 10.347 775 HA ILE 91 HA ILE 91 8.721 -9.707 9.196 776 HB ILE 91 HB ILE 91 7.559 -7.117 8.157 777 HG12 ILE 91 HG12 ILE 91 6.314 -9.110 10.065 778 HG13 ILE 91 HG13 ILE 91 7.017 -7.573 10.556 779 HG21 ILE 91 HG21 ILE 91 6.708 -9.985 7.768 780 HG22 ILE 91 HG22 ILE 91 7.478 -8.957 6.560 781 HG23 ILE 91 HG23 ILE 91 5.863 -8.566 7.150 782 HD11 ILE 91 HD11 ILE 91 5.370 -6.378 9.238 783 HD12 ILE 91 HD12 ILE 91 4.589 -7.459 10.394 784 HD13 ILE 91 HD13 ILE 91 4.682 -7.909 8.691 785 H ILE 92 H ILE 92 10.129 -6.660 8.145 786 HA ILE 92 HA ILE 92 11.776 -8.008 6.196 787 HB ILE 92 HB ILE 92 9.609 -7.571 5.015 788 HG12 ILE 92 HG12 ILE 92 11.950 -5.965 3.969 789 HG13 ILE 92 HG13 ILE 92 11.743 -7.703 3.777 790 HG21 ILE 92 HG21 ILE 92 9.064 -5.243 4.399 791 HG22 ILE 92 HG22 ILE 92 10.323 -4.683 5.500 792 HG23 ILE 92 HG23 ILE 92 8.922 -5.550 6.130 793 HD11 ILE 92 HD11 ILE 92 9.709 -7.307 2.481 794 HD12 ILE 92 HD12 ILE 92 11.117 -6.529 1.758 795 HD13 ILE 92 HD13 ILE 92 9.945 -5.567 2.660 796 H GLU 93 H GLU 93 13.412 -6.483 5.301 797 HA GLU 93 HA GLU 93 13.794 -4.159 7.075 798 HB2 GLU 93 HB2 GLU 93 15.473 -6.000 7.321 799 HB3 GLU 93 HB3 GLU 93 15.930 -5.758 5.641 800 HG2 GLU 93 HG2 GLU 93 16.591 -3.446 6.193 801 HG3 GLU 93 HG3 GLU 93 16.208 -3.769 7.883 802 H TYR 94 H TYR 94 12.547 -4.685 4.250 803 HA TYR 94 HA TYR 94 14.091 -2.611 2.841 804 HB2 TYR 94 HB2 TYR 94 12.492 -4.832 1.556 805 HB3 TYR 94 HB3 TYR 94 13.524 -3.663 0.738 806 HD1 TYR 94 HD2 TYR 94 16.043 -3.655 1.682 807 HD2 TYR 94 HD1 TYR 94 13.345 -6.940 1.891 808 HE1 TYR 94 HE2 TYR 94 17.942 -5.196 1.912 809 HE2 TYR 94 HE1 TYR 94 15.241 -8.488 2.122 810 HH TYR 94 HH TYR 94 18.316 -7.505 2.917 811 H ASN 95 H ASN 95 13.015 -0.929 1.973 812 HA ASN 95 HA ASN 95 10.088 -0.874 2.278 813 HB2 ASN 95 HB2 ASN 95 12.006 1.461 2.086 814 HB3 ASN 95 HB3 ASN 95 10.266 1.577 2.299 815 HD21 ASN 95 HD21 ASN 95 9.367 1.107 4.303 816 HD22 ASN 95 HD22 ASN 95 10.329 0.988 5.732 817 HA PRO 96 HA PRO 96 10.876 -1.394 -2.229 818 HB2 PRO 96 HB2 PRO 96 7.947 -1.890 -2.108 819 HB3 PRO 96 HB3 PRO 96 9.217 -2.833 -2.897 820 HG2 PRO 96 HG2 PRO 96 8.116 -3.695 -0.643 821 HG3 PRO 96 HG3 PRO 96 9.861 -3.868 -0.923 822 HD2 PRO 96 HD2 PRO 96 8.401 -1.881 0.778 823 HD3 PRO 96 HD3 PRO 96 9.922 -2.742 1.102 824 H ALA 97 H ALA 97 8.517 0.584 -0.566 825 HA ALA 97 HA ALA 97 7.988 2.136 -2.983 826 HB1 ALA 97 HB1 ALA 97 6.243 3.240 -1.684 827 HB2 ALA 97 HB2 ALA 97 6.753 2.362 -0.242 828 HB3 ALA 97 HB3 ALA 97 6.070 1.487 -1.613 829 H ALA 98 H ALA 98 10.318 2.141 -0.680 830 HA ALA 98 HA ALA 98 10.415 4.957 -0.077 831 HB1 ALA 98 HB1 ALA 98 12.548 2.854 0.278 832 HB2 ALA 98 HB2 ALA 98 11.338 3.304 1.479 833 HB3 ALA 98 HB3 ALA 98 12.554 4.475 0.972 834 H ALA 99 H ALA 99 11.506 2.910 -2.602 835 HA ALA 99 HA ALA 99 13.553 4.675 -3.590 836 HB1 ALA 99 HB1 ALA 99 13.639 3.162 -5.504 837 HB2 ALA 99 HB2 ALA 99 12.182 2.345 -4.935 838 HB3 ALA 99 HB3 ALA 99 13.669 2.262 -3.988 839 H PHE 100 H PHE 100 10.382 5.080 -3.372 840 HA PHE 100 HA PHE 100 10.221 6.665 -5.841 841 HB2 PHE 100 HB2 PHE 100 7.966 5.101 -4.560 842 HB3 PHE 100 HB3 PHE 100 7.815 6.151 -5.965 843 HD1 PHE 100 HD1 PHE 100 8.911 5.500 -8.101 844 HD2 PHE 100 HD2 PHE 100 8.723 2.878 -4.754 845 HE1 PHE 100 HE1 PHE 100 9.404 3.592 -9.572 846 HE2 PHE 100 HE2 PHE 100 9.218 0.963 -6.221 847 HZ PHE 100 HZ PHE 100 9.559 1.321 -8.634 848 H ASP 101 H ASP 101 9.442 8.701 -5.603 849 HA ASP 101 HA ASP 101 8.140 9.401 -3.067 850 HB2 ASP 101 HB2 ASP 101 10.532 10.752 -4.274 851 HB3 ASP 101 HB3 ASP 101 9.371 11.694 -3.343 852 HA PRO 102 HA PRO 102 5.038 10.699 -5.840 853 HB2 PRO 102 HB2 PRO 102 4.140 12.420 -3.606 854 HB3 PRO 102 HB3 PRO 102 3.279 11.130 -4.450 855 HG2 PRO 102 HG2 PRO 102 4.191 10.770 -1.968 856 HG3 PRO 102 HG3 PRO 102 4.247 9.462 -3.166 857 HD2 PRO 102 HD2 PRO 102 6.443 11.262 -2.220 858 HD3 PRO 102 HD3 PRO 102 6.480 9.518 -2.556 859 H GLY 103 H GLY 103 6.704 13.169 -3.931 860 HA2 GLY 103 HA2 GLY 103 7.535 15.203 -4.960 861 HA3 GLY 103 HA3 GLY 103 6.187 15.111 -6.093 862 H ASP 104 H ASP 104 4.254 14.366 -4.144 863 HA ASP 104 HA ASP 104 3.857 16.855 -2.684 864 HB2 ASP 104 HB2 ASP 104 1.926 16.018 -3.889 865 HB3 ASP 104 HB3 ASP 104 2.084 14.440 -3.130 866 H ALA 105 H ALA 105 5.151 16.856 -0.940 867 HA ALA 105 HA ALA 105 5.811 14.427 0.447 868 HB1 ALA 105 HB1 ALA 105 7.283 15.811 1.779 869 HB2 ALA 105 HB2 ALA 105 6.530 17.272 1.137 870 HB3 ALA 105 HB3 ALA 105 7.461 16.219 0.071 871 H GLY 106 H GLY 106 5.809 14.528 2.924 872 HA2 GLY 106 HA2 GLY 106 3.119 15.384 3.780 873 HA3 GLY 106 HA3 GLY 106 3.969 13.984 4.423 874 H GLY 107 H GLY 107 3.429 17.342 4.687 875 HA2 GLY 107 HA2 GLY 107 5.703 17.727 6.502 876 HA3 GLY 107 HA3 GLY 107 4.645 18.988 5.882 877 H LYS 108 H LYS 108 3.002 16.250 6.898 878 HA LYS 108 HA LYS 108 1.837 17.635 9.125 879 HB2 LYS 108 HB2 LYS 108 1.419 14.856 8.030 880 HB3 LYS 108 HB3 LYS 108 0.555 15.482 9.426 881 HG2 LYS 108 HG2 LYS 108 0.458 16.595 6.628 882 HG3 LYS 108 HG3 LYS 108 -0.801 15.654 7.429 883 HD2 LYS 108 HD2 LYS 108 -1.582 17.794 7.756 884 HD3 LYS 108 HD3 LYS 108 -0.648 17.559 9.227 885 HE2 LYS 108 HE2 LYS 108 1.259 18.700 8.166 886 HE3 LYS 108 HE3 LYS 108 0.274 18.981 6.735 887 HZ1 LYS 108 HZ1 LYS 108 -0.330 20.010 9.454 888 HZ2 LYS 108 HZ2 LYS 108 -1.223 20.322 8.042 889 HZ3 LYS 108 HZ3 LYS 108 0.361 20.911 8.193 890 H LEU 109 H LEU 109 1.917 17.086 11.272 891 HA LEU 109 HA LEU 109 4.319 15.561 12.021 892 HB2 LEU 109 HB2 LEU 109 4.278 18.048 12.461 893 HB3 LEU 109 HB3 LEU 109 2.964 17.771 13.582 894 HG LEU 109 HG LEU 109 5.590 16.365 13.978 895 HD11 LEU 109 HD11 LEU 109 6.357 18.221 15.348 896 HD12 LEU 109 HD12 LEU 109 4.921 19.153 14.925 897 HD13 LEU 109 HD13 LEU 109 6.108 18.750 13.685 898 HD21 LEU 109 HD21 LEU 109 3.683 15.683 15.351 899 HD22 LEU 109 HD22 LEU 109 3.461 17.353 15.878 900 HD23 LEU 109 HD23 LEU 109 4.922 16.471 16.326 901 H GLU 110 H GLU 110 3.962 13.708 13.050 902 HA GLU 110 HA GLU 110 1.372 12.997 14.051 903 HB2 GLU 110 HB2 GLU 110 4.071 11.646 14.254 904 HB3 GLU 110 HB3 GLU 110 2.576 10.936 14.852 905 HG2 GLU 110 HG2 GLU 110 1.708 10.645 12.723 906 HG3 GLU 110 HG3 GLU 110 2.798 11.832 12.009 907 H HIS 111 H HIS 111 0.689 14.159 15.736 908 HA HIS 111 HA HIS 111 2.373 15.459 17.565 909 HB2 HIS 111 HB2 HIS 111 -0.039 16.008 16.866 910 HB3 HIS 111 HB3 HIS 111 -0.524 14.836 18.086 911 HD1 HIS 111 HD1 HIS 111 0.643 18.298 17.626 912 HD2 HIS 111 HD2 HIS 111 0.098 15.635 20.779 913 HE1 HIS 111 HE1 HIS 111 0.696 19.696 19.719 914 HE2 HIS 111 HE2 HIS 111 0.193 18.093 21.595 915 H HIS 112 H HIS 112 -0.096 13.066 18.513 916 HA HIS 112 HA HIS 112 1.899 11.629 20.079 917 HB2 HIS 112 HB2 HIS 112 -0.420 13.120 21.250 918 HB3 HIS 112 HB3 HIS 112 0.094 11.612 21.992 919 HD1 HIS 112 HD1 HIS 112 0.368 14.841 22.872 920 HD2 HIS 112 HD2 HIS 112 3.312 12.032 21.981 921 HE1 HIS 112 HE1 HIS 112 2.456 15.648 24.024 922 HE2 HIS 112 HE2 HIS 112 4.252 14.030 23.329 923 H HIS 113 H HIS 113 1.610 9.514 19.924 924 HA HIS 113 HA HIS 113 -0.493 8.311 18.521 925 HB2 HIS 113 HB2 HIS 113 0.337 6.179 19.360 926 HB3 HIS 113 HB3 HIS 113 1.686 7.207 18.901 927 HD1 HIS 113 HD1 HIS 113 0.248 5.343 21.744 928 HD2 HIS 113 HD2 HIS 113 3.189 8.227 21.143 929 HE1 HIS 113 HE1 HIS 113 1.637 5.344 23.840 930 HE2 HIS 113 HE2 HIS 113 3.280 7.235 23.534 931 H HIS 114 H HIS 114 -2.497 7.756 19.048 932 HA HIS 114 HA HIS 114 -3.286 8.013 21.876 933 HB2 HIS 114 HB2 HIS 114 -4.577 8.914 19.343 934 HB3 HIS 114 HB3 HIS 114 -5.613 8.441 20.686 935 HD1 HIS 114 HD1 HIS 114 -2.886 10.936 19.847 936 HD2 HIS 114 HD2 HIS 114 -5.871 10.304 22.670 937 HE1 HIS 114 HE1 HIS 114 -2.998 13.053 21.197 938 HE2 HIS 114 HE2 HIS 114 -4.670 12.570 23.025 939 H HIS 115 H HIS 115 -5.910 7.081 21.507 940 HA HIS 115 HA HIS 115 -7.205 5.223 21.426 941 HB2 HIS 115 HB2 HIS 115 -6.017 4.909 19.134 942 HB3 HIS 115 HB3 HIS 115 -5.066 3.684 19.964 943 HD1 HIS 115 HD1 HIS 115 -8.626 4.461 18.961 944 HD2 HIS 115 HD2 HIS 115 -6.332 1.249 20.288 945 HE1 HIS 115 HE1 HIS 115 -10.081 2.426 18.698 946 HE2 HIS 115 HE2 HIS 115 -8.729 0.517 19.631 947 H HIS 116 H HIS 116 -4.943 5.819 23.327 948 HA HIS 116 HA HIS 116 -4.164 5.001 25.294 949 HB2 HIS 116 HB2 HIS 116 -6.626 4.440 25.487 950 HB3 HIS 116 HB3 HIS 116 -6.217 2.806 24.981 951 HD1 HIS 116 HD1 HIS 116 -6.205 1.312 26.952 952 HD2 HIS 116 HD2 HIS 116 -4.706 5.088 27.856 953 HE1 HIS 116 HE1 HIS 116 -5.581 1.236 29.389 954 HE2 HIS 116 HE2 HIS 116 -4.877 3.587 29.957 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -3.557 -9.423 19.275 2 H2 MET 1 H2 MET 1 -4.005 -10.157 17.814 3 H3 MET 1 H3 MET 1 -2.664 -9.127 17.867 4 HA MET 1 HA MET 1 -1.528 -10.672 19.359 5 HB2 MET 1 HB2 MET 1 -3.941 -12.401 18.756 6 HB3 MET 1 HB3 MET 1 -2.479 -12.965 19.552 7 HG2 MET 1 HG2 MET 1 -2.886 -11.555 21.439 8 HG3 MET 1 HG3 MET 1 -4.242 -10.777 20.623 9 HE1 MET 1 HE1 MET 1 -6.849 -13.695 20.426 10 HE2 MET 1 HE2 MET 1 -5.686 -13.159 19.212 11 HE3 MET 1 HE3 MET 1 -6.584 -11.972 20.157 12 H ALA 2 H ALA 2 0.046 -10.651 17.805 13 HA ALA 2 HA ALA 2 -0.206 -12.599 15.660 14 HB1 ALA 2 HB1 ALA 2 0.337 -11.016 13.890 15 HB2 ALA 2 HB2 ALA 2 0.284 -9.690 15.052 16 HB3 ALA 2 HB3 ALA 2 -1.182 -10.598 14.682 17 H GLU 3 H GLU 3 1.711 -10.925 17.904 18 HA GLU 3 HA GLU 3 4.163 -11.026 16.431 19 HB2 GLU 3 HB2 GLU 3 3.820 -9.383 18.238 20 HB3 GLU 3 HB3 GLU 3 3.788 -10.698 19.408 21 HG2 GLU 3 HG2 GLU 3 6.082 -11.314 18.710 22 HG3 GLU 3 HG3 GLU 3 6.105 -9.898 17.661 23 H LYS 4 H LYS 4 4.420 -13.079 15.728 24 HA LYS 4 HA LYS 4 6.180 -14.658 17.154 25 HB2 LYS 4 HB2 LYS 4 4.885 -16.713 17.568 26 HB3 LYS 4 HB3 LYS 4 4.322 -15.377 18.560 27 HG2 LYS 4 HG2 LYS 4 2.403 -15.066 17.177 28 HG3 LYS 4 HG3 LYS 4 3.011 -16.227 15.994 29 HD2 LYS 4 HD2 LYS 4 2.825 -18.015 17.623 30 HD3 LYS 4 HD3 LYS 4 2.281 -16.867 18.847 31 HE2 LYS 4 HE2 LYS 4 0.305 -16.365 17.499 32 HE3 LYS 4 HE3 LYS 4 0.851 -17.507 16.272 33 HZ1 LYS 4 HZ1 LYS 4 -0.816 -18.472 17.747 34 HZ2 LYS 4 HZ2 LYS 4 0.199 -18.207 19.084 35 HZ3 LYS 4 HZ3 LYS 4 0.666 -19.289 17.863 36 H ASN 5 H ASN 5 3.836 -14.259 14.655 37 HA ASN 5 HA ASN 5 5.475 -15.922 12.873 38 HB2 ASN 5 HB2 ASN 5 3.325 -16.495 11.664 39 HB3 ASN 5 HB3 ASN 5 3.518 -17.232 13.249 40 HD21 ASN 5 HD21 ASN 5 1.688 -15.018 11.322 41 HD22 ASN 5 HD22 ASN 5 0.470 -14.687 12.506 42 H ALA 6 H ALA 6 5.746 -15.169 10.799 43 HA ALA 6 HA ALA 6 5.400 -12.339 10.444 44 HB1 ALA 6 HB1 ALA 6 7.429 -13.467 9.666 45 HB2 ALA 6 HB2 ALA 6 6.593 -12.661 8.338 46 HB3 ALA 6 HB3 ALA 6 6.469 -14.411 8.525 47 H TYR 7 H TYR 7 3.409 -11.633 10.021 48 HA TYR 7 HA TYR 7 1.550 -13.219 8.503 49 HB2 TYR 7 HB2 TYR 7 0.038 -11.195 8.848 50 HB3 TYR 7 HB3 TYR 7 0.546 -12.069 10.285 51 HD1 TYR 7 HD2 TYR 7 0.947 -8.955 8.361 52 HD2 TYR 7 HD1 TYR 7 1.956 -11.034 11.933 53 HE1 TYR 7 HE2 TYR 7 1.763 -6.853 9.348 54 HE2 TYR 7 HE1 TYR 7 2.764 -8.941 12.933 55 HH TYR 7 HH TYR 7 2.120 -5.896 11.591 56 H THR 8 H THR 8 0.282 -12.228 6.723 57 HA THR 8 HA THR 8 2.173 -11.448 4.688 58 HB THR 8 HB THR 8 0.229 -11.765 3.150 59 HG1 THR 8 HG1 THR 8 -1.588 -12.931 4.361 60 HG21 THR 8 HG21 THR 8 1.727 -13.628 3.642 61 HG22 THR 8 HG22 THR 8 0.067 -14.199 3.462 62 HG23 THR 8 HG23 THR 8 0.774 -14.034 5.069 63 H VAL 9 H VAL 9 1.162 -9.944 2.937 64 HA VAL 9 HA VAL 9 1.107 -7.329 3.898 65 HB VAL 9 HB VAL 9 1.752 -7.752 1.634 66 HG11 VAL 9 HG11 VAL 9 0.419 -9.740 1.209 67 HG12 VAL 9 HG12 VAL 9 0.192 -8.554 -0.075 68 HG13 VAL 9 HG13 VAL 9 -1.050 -8.763 1.160 69 HG21 VAL 9 HG21 VAL 9 -0.855 -6.237 1.668 70 HG22 VAL 9 HG22 VAL 9 0.342 -6.177 0.376 71 HG23 VAL 9 HG23 VAL 9 0.749 -5.574 1.983 72 H ALA 10 H ALA 10 -1.510 -9.578 3.269 73 HA ALA 10 HA ALA 10 -3.630 -7.723 3.223 74 HB1 ALA 10 HB1 ALA 10 -5.079 -9.657 3.560 75 HB2 ALA 10 HB2 ALA 10 -3.677 -10.639 3.989 76 HB3 ALA 10 HB3 ALA 10 -3.836 -9.993 2.355 77 H GLN 11 H GLN 11 -2.002 -9.393 5.848 78 HA GLN 11 HA GLN 11 -3.961 -8.607 7.809 79 HB2 GLN 11 HB2 GLN 11 -1.186 -9.733 8.227 80 HB3 GLN 11 HB3 GLN 11 -2.457 -9.624 9.436 81 HG2 GLN 11 HG2 GLN 11 -2.479 -11.327 6.957 82 HG3 GLN 11 HG3 GLN 11 -2.285 -11.882 8.618 83 HE21 GLN 11 HE21 GLN 11 -4.088 -11.894 9.991 84 HE22 GLN 11 HE22 GLN 11 -5.703 -11.807 9.376 85 H LEU 12 H LEU 12 -0.826 -7.502 6.691 86 HA LEU 12 HA LEU 12 -0.276 -5.672 8.758 87 HB2 LEU 12 HB2 LEU 12 1.413 -6.415 7.150 88 HB3 LEU 12 HB3 LEU 12 0.558 -5.600 5.856 89 HG LEU 12 HG LEU 12 0.999 -3.426 6.984 90 HD11 LEU 12 HD11 LEU 12 2.661 -3.334 8.768 91 HD12 LEU 12 HD12 LEU 12 2.725 -5.096 8.810 92 HD13 LEU 12 HD13 LEU 12 1.243 -4.255 9.269 93 HD21 LEU 12 HD21 LEU 12 3.429 -5.099 6.358 94 HD22 LEU 12 HD22 LEU 12 3.379 -3.338 6.411 95 HD23 LEU 12 HD23 LEU 12 2.447 -4.208 5.194 96 H ALA 13 H ALA 13 -2.059 -5.359 5.739 97 HA ALA 13 HA ALA 13 -2.413 -2.587 5.705 98 HB1 ALA 13 HB1 ALA 13 -2.906 -4.004 3.793 99 HB2 ALA 13 HB2 ALA 13 -4.318 -3.040 4.222 100 HB3 ALA 13 HB3 ALA 13 -4.246 -4.746 4.665 101 H ASP 14 H ASP 14 -4.421 -5.123 7.183 102 HA ASP 14 HA ASP 14 -6.431 -3.295 8.062 103 HB2 ASP 14 HB2 ASP 14 -6.812 -5.741 7.655 104 HB3 ASP 14 HB3 ASP 14 -5.894 -6.074 9.121 105 H GLU 15 H GLU 15 -3.572 -4.719 9.496 106 HA GLU 15 HA GLU 15 -3.950 -3.845 12.150 107 HB2 GLU 15 HB2 GLU 15 -2.293 -5.540 11.501 108 HB3 GLU 15 HB3 GLU 15 -1.404 -4.337 10.584 109 HG2 GLU 15 HG2 GLU 15 -0.268 -4.735 12.643 110 HG3 GLU 15 HG3 GLU 15 -0.966 -3.117 12.691 111 H TYR 16 H TYR 16 -2.323 -2.393 9.365 112 HA TYR 16 HA TYR 16 -1.389 -0.066 10.625 113 HB2 TYR 16 HB2 TYR 16 -0.541 -0.753 8.469 114 HB3 TYR 16 HB3 TYR 16 -2.136 -0.603 7.745 115 HD1 TYR 16 HD1 TYR 16 0.459 1.445 9.481 116 HD2 TYR 16 HD2 TYR 16 -2.690 1.345 6.621 117 HE1 TYR 16 HE1 TYR 16 0.979 3.760 8.833 118 HE2 TYR 16 HE2 TYR 16 -2.178 3.659 5.965 119 HH TYR 16 HH TYR 16 -1.103 5.628 6.869 120 H PHE 17 H PHE 17 -4.483 -0.873 9.196 121 HA PHE 17 HA PHE 17 -5.577 1.694 8.968 122 HB2 PHE 17 HB2 PHE 17 -6.524 -0.400 7.974 123 HB3 PHE 17 HB3 PHE 17 -7.062 -0.872 9.580 124 HD1 PHE 17 HD2 PHE 17 -7.569 1.466 6.808 125 HD2 PHE 17 HD1 PHE 17 -8.991 0.143 10.592 126 HE1 PHE 17 HE2 PHE 17 -9.672 2.688 6.439 127 HE2 PHE 17 HE1 PHE 17 -11.098 1.358 10.230 128 HZ PHE 17 HZ PHE 17 -11.441 2.633 8.149 129 H GLU 18 H GLU 18 -5.858 -0.668 11.630 130 HA GLU 18 HA GLU 18 -7.532 0.922 13.236 131 HB2 GLU 18 HB2 GLU 18 -5.677 -1.344 13.943 132 HB3 GLU 18 HB3 GLU 18 -6.743 -0.582 15.113 133 HG2 GLU 18 HG2 GLU 18 -8.612 -1.129 13.438 134 HG3 GLU 18 HG3 GLU 18 -7.441 -2.233 12.725 135 H ARG 19 H ARG 19 -4.154 1.127 12.682 136 HA ARG 19 HA ARG 19 -3.545 2.318 15.235 137 HB2 ARG 19 HB2 ARG 19 -1.858 2.097 12.734 138 HB3 ARG 19 HB3 ARG 19 -1.279 2.590 14.323 139 HG2 ARG 19 HG2 ARG 19 -2.352 -0.104 13.525 140 HG3 ARG 19 HG3 ARG 19 -0.701 0.302 14.011 141 HD2 ARG 19 HD2 ARG 19 -1.310 0.635 16.227 142 HD3 ARG 19 HD3 ARG 19 -3.016 0.812 15.838 143 HE ARG 19 HE ARG 19 -1.919 -1.801 15.257 144 HH11 ARG 19 HH11 ARG 19 -3.385 0.226 17.714 145 HH12 ARG 19 HH12 ARG 19 -4.139 -1.110 18.537 146 HH21 ARG 19 HH21 ARG 19 -2.895 -3.535 16.315 147 HH22 ARG 19 HH22 ARG 19 -3.875 -3.253 17.728 148 H MET 20 H MET 20 -3.528 3.471 11.881 149 HA MET 20 HA MET 20 -3.043 6.178 12.798 150 HB2 MET 20 HB2 MET 20 -3.439 5.132 9.994 151 HB3 MET 20 HB3 MET 20 -2.869 6.738 10.424 152 HG2 MET 20 HG2 MET 20 -1.417 4.235 11.227 153 HG3 MET 20 HG3 MET 20 -1.131 5.050 9.695 154 HE1 MET 20 HE1 MET 20 -0.554 5.066 13.553 155 HE2 MET 20 HE2 MET 20 -1.703 6.397 13.426 156 HE3 MET 20 HE3 MET 20 -0.025 6.719 13.866 157 H ILE 21 H ILE 21 -5.740 4.308 11.636 158 HA ILE 21 HA ILE 21 -7.342 6.618 10.961 159 HB ILE 21 HB ILE 21 -8.103 3.695 11.187 160 HG12 ILE 21 HG12 ILE 21 -6.427 4.064 9.476 161 HG13 ILE 21 HG13 ILE 21 -7.979 3.742 8.713 162 HG21 ILE 21 HG21 ILE 21 -10.080 4.247 9.879 163 HG22 ILE 21 HG22 ILE 21 -9.627 5.951 9.882 164 HG23 ILE 21 HG23 ILE 21 -10.066 5.154 11.393 165 HD11 ILE 21 HD11 ILE 21 -8.267 6.143 8.322 166 HD12 ILE 21 HD12 ILE 21 -6.808 5.512 7.560 167 HD13 ILE 21 HD13 ILE 21 -6.690 6.440 9.054 168 H ALA 22 H ALA 22 -6.477 5.083 13.811 169 HA ALA 22 HA ALA 22 -8.901 5.733 15.261 170 HB1 ALA 22 HB1 ALA 22 -7.571 3.772 15.895 171 HB2 ALA 22 HB2 ALA 22 -7.711 4.924 17.223 172 HB3 ALA 22 HB3 ALA 22 -6.214 4.826 16.295 173 H GLY 23 H GLY 23 -6.284 7.445 14.110 174 HA2 GLY 23 HA2 GLY 23 -6.468 9.428 16.292 175 HA3 GLY 23 HA3 GLY 23 -5.024 9.171 15.322 176 H ARG 24 H ARG 24 -5.408 9.480 12.899 177 HA ARG 24 HA ARG 24 -7.233 11.739 12.433 178 HB2 ARG 24 HB2 ARG 24 -4.368 11.746 12.295 179 HB3 ARG 24 HB3 ARG 24 -5.016 11.981 10.676 180 HG2 ARG 24 HG2 ARG 24 -4.625 14.107 11.788 181 HG3 ARG 24 HG3 ARG 24 -6.343 13.867 11.470 182 HD2 ARG 24 HD2 ARG 24 -6.621 13.093 13.803 183 HD3 ARG 24 HD3 ARG 24 -4.921 13.455 14.095 184 HE ARG 24 HE ARG 24 -5.941 15.799 13.143 185 HH11 ARG 24 HH11 ARG 24 -6.800 13.639 15.759 186 HH12 ARG 24 HH12 ARG 24 -7.430 14.900 16.774 187 HH21 ARG 24 HH21 ARG 24 -6.779 17.464 14.454 188 HH22 ARG 24 HH22 ARG 24 -7.442 17.082 16.017 189 H TRP 25 H TRP 25 -8.752 10.563 11.412 190 HA TRP 25 HA TRP 25 -7.898 8.755 9.273 191 HB2 TRP 25 HB2 TRP 25 -9.963 7.572 9.609 192 HB3 TRP 25 HB3 TRP 25 -9.214 7.825 11.180 193 HD1 TRP 25 HD1 TRP 25 -12.351 8.383 9.304 194 HE1 TRP 25 HE1 TRP 25 -14.056 9.692 10.713 195 HE3 TRP 25 HE3 TRP 25 -9.267 9.855 13.096 196 HZ2 TRP 25 HZ2 TRP 25 -14.077 11.160 13.124 197 HZ3 TRP 25 HZ3 TRP 25 -10.208 11.218 14.914 198 HH2 TRP 25 HH2 TRP 25 -12.564 11.858 14.927 199 H LYS 26 H LYS 26 -10.342 11.220 10.003 200 HA LYS 26 HA LYS 26 -11.398 12.761 8.753 201 HB2 LYS 26 HB2 LYS 26 -9.396 12.001 6.626 202 HB3 LYS 26 HB3 LYS 26 -10.486 13.380 6.536 203 HG2 LYS 26 HG2 LYS 26 -9.456 14.316 8.555 204 HG3 LYS 26 HG3 LYS 26 -8.354 12.943 8.621 205 HD2 LYS 26 HD2 LYS 26 -8.539 14.934 6.366 206 HD3 LYS 26 HD3 LYS 26 -7.307 14.929 7.627 207 HE2 LYS 26 HE2 LYS 26 -6.646 12.649 6.882 208 HE3 LYS 26 HE3 LYS 26 -7.784 12.803 5.543 209 HZ1 LYS 26 HZ1 LYS 26 -5.632 13.395 4.756 210 HZ2 LYS 26 HZ2 LYS 26 -5.379 14.464 6.049 211 HZ3 LYS 26 HZ3 LYS 26 -6.541 14.829 4.867 212 H HIS 27 H HIS 27 -10.871 9.750 6.899 213 HA HIS 27 HA HIS 27 -13.683 9.702 6.170 214 HB2 HIS 27 HB2 HIS 27 -11.493 9.904 4.092 215 HB3 HIS 27 HB3 HIS 27 -13.099 9.292 3.731 216 HD1 HIS 27 HD1 HIS 27 -11.289 12.179 3.184 217 HD2 HIS 27 HD2 HIS 27 -15.058 11.503 4.819 218 HE1 HIS 27 HE1 HIS 27 -12.532 14.353 2.952 219 HE2 HIS 27 HE2 HIS 27 -14.858 13.873 3.793 220 HA PRO 28 HA PRO 28 -11.776 5.745 7.434 221 HB2 PRO 28 HB2 PRO 28 -14.545 4.991 8.066 222 HB3 PRO 28 HB3 PRO 28 -13.129 5.053 9.119 223 HG2 PRO 28 HG2 PRO 28 -15.109 6.849 9.318 224 HG3 PRO 28 HG3 PRO 28 -13.423 7.286 9.607 225 HD2 PRO 28 HD2 PRO 28 -15.126 7.764 7.195 226 HD3 PRO 28 HD3 PRO 28 -13.960 8.847 7.986 227 H ASN 29 H ASN 29 -15.043 5.599 5.984 228 HA ASN 29 HA ASN 29 -14.630 3.078 4.801 229 HB2 ASN 29 HB2 ASN 29 -16.686 3.468 3.571 230 HB3 ASN 29 HB3 ASN 29 -16.877 4.042 5.223 231 HD21 ASN 29 HD21 ASN 29 -17.004 6.258 5.619 232 HD22 ASN 29 HD22 ASN 29 -17.329 7.398 4.350 233 H ILE 30 H ILE 30 -13.955 6.314 3.728 234 HA ILE 30 HA ILE 30 -13.550 5.723 0.987 235 HB ILE 30 HB ILE 30 -12.443 7.990 2.651 236 HG12 ILE 30 HG12 ILE 30 -14.891 7.946 2.609 237 HG13 ILE 30 HG13 ILE 30 -14.280 9.307 1.676 238 HG21 ILE 30 HG21 ILE 30 -12.593 7.707 -0.348 239 HG22 ILE 30 HG22 ILE 30 -11.127 7.674 0.631 240 HG23 ILE 30 HG23 ILE 30 -12.085 9.152 0.524 241 HD11 ILE 30 HD11 ILE 30 -14.686 8.089 -0.388 242 HD12 ILE 30 HD12 ILE 30 -16.159 8.211 0.576 243 HD13 ILE 30 HD13 ILE 30 -15.251 6.699 0.536 244 H VAL 31 H VAL 31 -11.240 6.241 3.674 245 HA VAL 31 HA VAL 31 -8.974 5.613 2.109 246 HB VAL 31 HB VAL 31 -8.784 6.924 4.172 247 HG11 VAL 31 HG11 VAL 31 -10.368 5.837 5.602 248 HG12 VAL 31 HG12 VAL 31 -8.777 5.785 6.362 249 HG13 VAL 31 HG13 VAL 31 -9.426 4.345 5.578 250 HG21 VAL 31 HG21 VAL 31 -6.753 5.880 5.049 251 HG22 VAL 31 HG22 VAL 31 -6.805 5.823 3.287 252 HG23 VAL 31 HG23 VAL 31 -7.174 4.376 4.228 253 H ARG 32 H ARG 32 -11.071 3.627 4.157 254 HA ARG 32 HA ARG 32 -9.595 1.266 4.088 255 HB2 ARG 32 HB2 ARG 32 -11.446 1.479 5.596 256 HB3 ARG 32 HB3 ARG 32 -12.567 1.766 4.273 257 HG2 ARG 32 HG2 ARG 32 -12.757 -0.489 5.226 258 HG3 ARG 32 HG3 ARG 32 -12.327 -0.502 3.514 259 HD2 ARG 32 HD2 ARG 32 -10.899 -2.074 4.416 260 HD3 ARG 32 HD3 ARG 32 -9.899 -0.636 4.359 261 HE ARG 32 HE ARG 32 -10.686 -0.430 6.822 262 HH11 ARG 32 HH11 ARG 32 -10.054 -3.418 5.127 263 HH12 ARG 32 HH12 ARG 32 -9.480 -4.258 6.532 264 HH21 ARG 32 HH21 ARG 32 -9.945 -1.544 8.702 265 HH22 ARG 32 HH22 ARG 32 -9.413 -3.196 8.565 266 H SER 33 H SER 33 -11.985 2.568 1.812 267 HA SER 33 HA SER 33 -12.179 0.351 0.120 268 HB2 SER 33 HB2 SER 33 -12.413 3.288 -0.574 269 HB3 SER 33 HB3 SER 33 -12.964 1.956 -1.590 270 HG SER 33 HG SER 33 -13.919 2.671 0.996 271 H ARG 34 H ARG 34 -9.749 2.864 0.332 272 HA ARG 34 HA ARG 34 -8.444 2.085 -2.118 273 HB2 ARG 34 HB2 ARG 34 -7.800 4.024 0.081 274 HB3 ARG 34 HB3 ARG 34 -6.558 3.564 -1.071 275 HG2 ARG 34 HG2 ARG 34 -7.690 5.670 -1.657 276 HG3 ARG 34 HG3 ARG 34 -7.859 4.435 -2.903 277 HD2 ARG 34 HD2 ARG 34 -10.105 4.015 -2.321 278 HD3 ARG 34 HD3 ARG 34 -9.956 4.888 -0.799 279 HE ARG 34 HE ARG 34 -9.713 6.932 -2.224 280 HH11 ARG 34 HH11 ARG 34 -11.317 4.097 -3.514 281 HH12 ARG 34 HH12 ARG 34 -12.431 5.021 -4.479 282 HH21 ARG 34 HH21 ARG 34 -11.185 8.146 -3.513 283 HH22 ARG 34 HH22 ARG 34 -12.356 7.297 -4.487 284 H ILE 35 H ILE 35 -7.948 1.590 1.346 285 HA ILE 35 HA ILE 35 -5.453 0.312 1.163 286 HB ILE 35 HB ILE 35 -7.599 0.126 3.277 287 HG12 ILE 35 HG12 ILE 35 -4.966 1.620 3.154 288 HG13 ILE 35 HG13 ILE 35 -6.566 2.337 2.981 289 HG21 ILE 35 HG21 ILE 35 -4.774 -0.931 3.371 290 HG22 ILE 35 HG22 ILE 35 -6.253 -1.891 3.374 291 HG23 ILE 35 HG23 ILE 35 -5.882 -0.844 4.742 292 HD11 ILE 35 HD11 ILE 35 -7.089 1.683 5.281 293 HD12 ILE 35 HD12 ILE 35 -5.680 2.738 5.189 294 HD13 ILE 35 HD13 ILE 35 -5.469 1.006 5.445 295 H GLU 36 H GLU 36 -8.750 -1.069 1.230 296 HA GLU 36 HA GLU 36 -7.638 -3.733 1.195 297 HB2 GLU 36 HB2 GLU 36 -9.967 -4.504 1.280 298 HB3 GLU 36 HB3 GLU 36 -9.601 -3.340 2.539 299 HG2 GLU 36 HG2 GLU 36 -11.674 -2.653 1.849 300 HG3 GLU 36 HG3 GLU 36 -10.620 -1.617 0.890 301 H LYS 37 H LYS 37 -8.259 -1.482 -1.180 302 HA LYS 37 HA LYS 37 -8.696 -3.583 -3.185 303 HB2 LYS 37 HB2 LYS 37 -10.480 -2.081 -3.359 304 HB3 LYS 37 HB3 LYS 37 -9.447 -0.679 -3.138 305 HG2 LYS 37 HG2 LYS 37 -8.878 -2.295 -5.530 306 HG3 LYS 37 HG3 LYS 37 -10.439 -1.469 -5.510 307 HD2 LYS 37 HD2 LYS 37 -9.383 0.651 -5.147 308 HD3 LYS 37 HD3 LYS 37 -7.812 -0.115 -4.923 309 HE2 LYS 37 HE2 LYS 37 -7.784 -0.810 -7.238 310 HE3 LYS 37 HE3 LYS 37 -9.413 -0.176 -7.471 311 HZ1 LYS 37 HZ1 LYS 37 -7.022 1.448 -6.751 312 HZ2 LYS 37 HZ2 LYS 37 -8.592 2.042 -7.027 313 HZ3 LYS 37 HZ3 LYS 37 -7.719 1.348 -8.297 314 H ASP 38 H ASP 38 -6.808 -0.605 -2.621 315 HA ASP 38 HA ASP 38 -5.185 -1.103 -4.961 316 HB2 ASP 38 HB2 ASP 38 -5.004 1.007 -2.803 317 HB3 ASP 38 HB3 ASP 38 -3.909 0.920 -4.178 318 H ILE 39 H ILE 39 -4.727 -1.196 -1.444 319 HA ILE 39 HA ILE 39 -1.988 -1.989 -1.632 320 HB ILE 39 HB ILE 39 -3.881 -2.169 0.722 321 HG12 ILE 39 HG12 ILE 39 -1.784 -0.108 -0.005 322 HG13 ILE 39 HG13 ILE 39 -3.526 0.127 -0.097 323 HG21 ILE 39 HG21 ILE 39 -1.848 -2.338 2.089 324 HG22 ILE 39 HG22 ILE 39 -0.875 -2.399 0.620 325 HG23 ILE 39 HG23 ILE 39 -2.007 -3.703 0.981 326 HD11 ILE 39 HD11 ILE 39 -2.581 1.184 1.873 327 HD12 ILE 39 HD12 ILE 39 -1.943 -0.369 2.412 328 HD13 ILE 39 HD13 ILE 39 -3.686 -0.115 2.324 329 H LYS 40 H LYS 40 -5.058 -3.659 -1.414 330 HA LYS 40 HA LYS 40 -3.611 -6.203 -1.760 331 HB2 LYS 40 HB2 LYS 40 -6.497 -5.797 -0.949 332 HB3 LYS 40 HB3 LYS 40 -5.679 -7.340 -1.110 333 HG2 LYS 40 HG2 LYS 40 -4.168 -6.655 0.752 334 HG3 LYS 40 HG3 LYS 40 -5.167 -5.213 0.957 335 HD2 LYS 40 HD2 LYS 40 -6.084 -8.081 1.192 336 HD3 LYS 40 HD3 LYS 40 -5.877 -6.933 2.519 337 HE2 LYS 40 HE2 LYS 40 -7.695 -5.625 1.807 338 HE3 LYS 40 HE3 LYS 40 -7.730 -6.385 0.218 339 HZ1 LYS 40 HZ1 LYS 40 -8.441 -8.454 1.297 340 HZ2 LYS 40 HZ2 LYS 40 -9.540 -7.189 1.547 341 HZ3 LYS 40 HZ3 LYS 40 -8.491 -7.656 2.798 342 HA PRO 41 HA PRO 41 -5.448 -5.137 -5.865 343 HB2 PRO 41 HB2 PRO 41 -3.070 -6.443 -6.953 344 HB3 PRO 41 HB3 PRO 41 -3.632 -4.786 -7.186 345 HG2 PRO 41 HG2 PRO 41 -1.419 -5.389 -5.750 346 HG3 PRO 41 HG3 PRO 41 -2.448 -3.994 -5.381 347 HD2 PRO 41 HD2 PRO 41 -2.339 -6.676 -4.054 348 HD3 PRO 41 HD3 PRO 41 -2.497 -5.062 -3.325 349 H ALA 42 H ALA 42 -3.462 -8.041 -5.434 350 HA ALA 42 HA ALA 42 -5.638 -9.854 -5.588 351 HB1 ALA 42 HB1 ALA 42 -3.887 -9.646 -8.041 352 HB2 ALA 42 HB2 ALA 42 -5.600 -9.235 -7.955 353 HB3 ALA 42 HB3 ALA 42 -5.080 -10.908 -7.738 354 H ILE 43 H ILE 43 -3.037 -9.139 -4.208 355 HA ILE 43 HA ILE 43 -1.798 -11.791 -4.344 356 HB ILE 43 HB ILE 43 0.416 -10.541 -3.877 357 HG12 ILE 43 HG12 ILE 43 -1.106 -8.342 -5.291 358 HG13 ILE 43 HG13 ILE 43 -0.706 -8.318 -3.578 359 HG21 ILE 43 HG21 ILE 43 0.008 -11.829 -5.886 360 HG22 ILE 43 HG22 ILE 43 0.856 -10.336 -6.290 361 HG23 ILE 43 HG23 ILE 43 -0.874 -10.481 -6.602 362 HD11 ILE 43 HD11 ILE 43 1.668 -8.335 -4.134 363 HD12 ILE 43 HD12 ILE 43 0.841 -6.967 -4.879 364 HD13 ILE 43 HD13 ILE 43 1.269 -8.377 -5.851 365 H GLY 44 H GLY 44 -2.701 -12.486 -2.458 366 HA2 GLY 44 HA2 GLY 44 -1.680 -11.141 -0.027 367 HA3 GLY 44 HA3 GLY 44 -3.190 -12.048 -0.075 368 H SER 45 H SER 45 -1.018 -13.530 -2.044 369 HA SER 45 HA SER 45 -0.599 -15.691 -0.161 370 HB2 SER 45 HB2 SER 45 0.324 -16.802 -2.286 371 HB3 SER 45 HB3 SER 45 -1.390 -16.381 -2.293 372 HG SER 45 HG SER 45 -0.163 -15.753 -4.219 373 H LEU 46 H LEU 46 0.926 -12.995 -0.310 374 HA LEU 46 HA LEU 46 3.576 -14.173 -0.018 375 HB2 LEU 46 HB2 LEU 46 4.496 -12.112 -1.221 376 HB3 LEU 46 HB3 LEU 46 3.808 -13.393 -2.194 377 HG LEU 46 HG LEU 46 1.670 -11.999 -2.261 378 HD11 LEU 46 HD11 LEU 46 1.907 -9.610 -1.908 379 HD12 LEU 46 HD12 LEU 46 3.560 -9.843 -1.338 380 HD13 LEU 46 HD13 LEU 46 2.207 -10.492 -0.410 381 HD21 LEU 46 HD21 LEU 46 2.547 -10.567 -4.063 382 HD22 LEU 46 HD22 LEU 46 3.110 -12.234 -4.180 383 HD23 LEU 46 HD23 LEU 46 4.187 -10.980 -3.563 384 H LYS 47 H LYS 47 5.097 -12.751 1.127 385 HA LYS 47 HA LYS 47 3.674 -11.312 3.227 386 HB2 LYS 47 HB2 LYS 47 6.583 -12.102 3.027 387 HB3 LYS 47 HB3 LYS 47 5.823 -11.354 4.422 388 HG2 LYS 47 HG2 LYS 47 4.410 -13.305 4.722 389 HG3 LYS 47 HG3 LYS 47 5.130 -14.054 3.293 390 HD2 LYS 47 HD2 LYS 47 6.533 -13.324 5.864 391 HD3 LYS 47 HD3 LYS 47 6.194 -14.948 5.263 392 HE2 LYS 47 HE2 LYS 47 7.625 -14.499 3.311 393 HE3 LYS 47 HE3 LYS 47 7.995 -12.906 3.969 394 HZ1 LYS 47 HZ1 LYS 47 9.767 -14.312 4.540 395 HZ2 LYS 47 HZ2 LYS 47 8.737 -15.547 5.080 396 HZ3 LYS 47 HZ3 LYS 47 8.875 -14.111 5.967 397 H VAL 48 H VAL 48 5.449 -9.561 4.136 398 HA VAL 48 HA VAL 48 5.080 -7.356 2.400 399 HB VAL 48 HB VAL 48 6.938 -7.456 4.779 400 HG11 VAL 48 HG11 VAL 48 6.357 -5.076 4.986 401 HG12 VAL 48 HG12 VAL 48 5.401 -5.194 3.509 402 HG13 VAL 48 HG13 VAL 48 7.146 -5.442 3.452 403 HG21 VAL 48 HG21 VAL 48 3.958 -6.995 4.730 404 HG22 VAL 48 HG22 VAL 48 5.004 -6.722 6.124 405 HG23 VAL 48 HG23 VAL 48 4.804 -8.351 5.477 406 H GLU 49 H GLU 49 7.702 -9.594 2.869 407 HA GLU 49 HA GLU 49 9.602 -7.904 1.475 408 HB2 GLU 49 HB2 GLU 49 11.216 -9.657 1.880 409 HB3 GLU 49 HB3 GLU 49 10.336 -9.318 3.364 410 HG2 GLU 49 HG2 GLU 49 8.987 -11.299 3.057 411 HG3 GLU 49 HG3 GLU 49 9.763 -11.615 1.504 412 H ASP 50 H ASP 50 7.284 -10.279 0.701 413 HA ASP 50 HA ASP 50 8.650 -11.200 -1.686 414 HB2 ASP 50 HB2 ASP 50 5.918 -11.831 -0.566 415 HB3 ASP 50 HB3 ASP 50 6.569 -12.539 -2.042 416 H VAL 51 H VAL 51 6.230 -8.887 -0.792 417 HA VAL 51 HA VAL 51 5.344 -8.459 -3.487 418 HB VAL 51 HB VAL 51 3.822 -7.976 -1.651 419 HG11 VAL 51 HG11 VAL 51 5.421 -7.288 0.044 420 HG12 VAL 51 HG12 VAL 51 4.144 -6.085 -0.147 421 HG13 VAL 51 HG13 VAL 51 5.738 -5.797 -0.844 422 HG21 VAL 51 HG21 VAL 51 3.477 -6.742 -3.700 423 HG22 VAL 51 HG22 VAL 51 4.595 -5.488 -3.166 424 HG23 VAL 51 HG23 VAL 51 3.072 -5.732 -2.312 425 H LYS 52 H LYS 52 7.686 -8.449 -4.106 426 HA LYS 52 HA LYS 52 9.490 -6.435 -3.581 427 HB2 LYS 52 HB2 LYS 52 9.057 -7.967 -6.146 428 HB3 LYS 52 HB3 LYS 52 10.472 -6.978 -5.812 429 HG2 LYS 52 HG2 LYS 52 10.966 -8.412 -3.861 430 HG3 LYS 52 HG3 LYS 52 9.606 -9.442 -4.314 431 HD2 LYS 52 HD2 LYS 52 10.666 -9.908 -6.463 432 HD3 LYS 52 HD3 LYS 52 12.016 -8.856 -6.035 433 HE2 LYS 52 HE2 LYS 52 12.518 -10.328 -4.121 434 HE3 LYS 52 HE3 LYS 52 11.213 -11.400 -4.625 435 HZ1 LYS 52 HZ1 LYS 52 13.405 -12.158 -5.381 436 HZ2 LYS 52 HZ2 LYS 52 13.592 -10.730 -6.279 437 HZ3 LYS 52 HZ3 LYS 52 12.366 -11.833 -6.682 438 HA PRO 53 HA PRO 53 8.506 -2.467 -5.025 439 HB2 PRO 53 HB2 PRO 53 10.675 -2.892 -7.051 440 HB3 PRO 53 HB3 PRO 53 10.349 -1.479 -6.038 441 HG2 PRO 53 HG2 PRO 53 12.243 -3.219 -5.361 442 HG3 PRO 53 HG3 PRO 53 11.199 -2.483 -4.129 443 HD2 PRO 53 HD2 PRO 53 11.228 -5.255 -5.168 444 HD3 PRO 53 HD3 PRO 53 10.664 -4.640 -3.604 445 H ARG 54 H ARG 54 9.144 -4.666 -7.797 446 HA ARG 54 HA ARG 54 7.799 -2.987 -9.640 447 HB2 ARG 54 HB2 ARG 54 9.470 -5.072 -9.943 448 HB3 ARG 54 HB3 ARG 54 7.939 -5.877 -10.266 449 HG2 ARG 54 HG2 ARG 54 8.799 -3.354 -11.662 450 HG3 ARG 54 HG3 ARG 54 9.146 -4.970 -12.274 451 HD2 ARG 54 HD2 ARG 54 6.907 -5.429 -12.694 452 HD3 ARG 54 HD3 ARG 54 6.344 -4.179 -11.587 453 HE ARG 54 HE ARG 54 6.905 -2.526 -13.224 454 HH11 ARG 54 HH11 ARG 54 7.107 -5.840 -14.354 455 HH12 ARG 54 HH12 ARG 54 6.969 -5.415 -16.030 456 HH21 ARG 54 HH21 ARG 54 6.720 -1.963 -15.435 457 HH22 ARG 54 HH22 ARG 54 6.739 -3.215 -16.647 458 H HIS 55 H HIS 55 6.637 -5.331 -7.383 459 HA HIS 55 HA HIS 55 4.112 -5.854 -8.548 460 HB2 HIS 55 HB2 HIS 55 5.128 -5.860 -5.716 461 HB3 HIS 55 HB3 HIS 55 3.419 -6.114 -6.056 462 HD1 HIS 55 HD1 HIS 55 6.570 -7.898 -5.800 463 HD2 HIS 55 HD2 HIS 55 2.988 -8.384 -7.820 464 HE1 HIS 55 HE1 HIS 55 6.502 -10.324 -6.464 465 HE2 HIS 55 HE2 HIS 55 4.411 -10.544 -7.865 466 H ILE 56 H ILE 56 5.192 -3.439 -6.226 467 HA ILE 56 HA ILE 56 2.773 -1.959 -6.155 468 HB ILE 56 HB ILE 56 5.571 -0.964 -5.562 469 HG12 ILE 56 HG12 ILE 56 5.053 -2.958 -4.229 470 HG13 ILE 56 HG13 ILE 56 5.095 -1.520 -3.215 471 HG21 ILE 56 HG21 ILE 56 3.962 0.834 -5.828 472 HG22 ILE 56 HG22 ILE 56 4.438 0.681 -4.138 473 HG23 ILE 56 HG23 ILE 56 2.878 0.058 -4.673 474 HD11 ILE 56 HD11 ILE 56 2.665 -1.441 -3.207 475 HD12 ILE 56 HD12 ILE 56 3.257 -2.992 -2.611 476 HD13 ILE 56 HD13 ILE 56 2.610 -2.866 -4.247 477 H ASP 57 H ASP 57 5.653 -1.867 -8.129 478 HA ASP 57 HA ASP 57 5.308 0.590 -9.427 479 HB2 ASP 57 HB2 ASP 57 7.401 -0.622 -9.534 480 HB3 ASP 57 HB3 ASP 57 6.624 -1.983 -10.331 481 H ASP 58 H ASP 58 4.106 -2.636 -10.167 482 HA ASP 58 HA ASP 58 2.935 -1.874 -12.664 483 HB2 ASP 58 HB2 ASP 58 3.652 -4.208 -12.105 484 HB3 ASP 58 HB3 ASP 58 2.294 -4.308 -10.991 485 H VAL 59 H VAL 59 1.677 -2.354 -9.365 486 HA VAL 59 HA VAL 59 -1.031 -1.967 -10.155 487 HB VAL 59 HB VAL 59 -1.600 -1.836 -7.798 488 HG11 VAL 59 HG11 VAL 59 -1.252 -4.025 -8.779 489 HG12 VAL 59 HG12 VAL 59 -0.735 -4.017 -7.093 490 HG13 VAL 59 HG13 VAL 59 0.467 -3.950 -8.382 491 HG21 VAL 59 HG21 VAL 59 1.374 -1.806 -7.287 492 HG22 VAL 59 HG22 VAL 59 0.122 -1.975 -6.056 493 HG23 VAL 59 HG23 VAL 59 0.249 -0.481 -6.983 494 H LEU 60 H LEU 60 1.507 0.207 -9.033 495 HA LEU 60 HA LEU 60 -0.119 2.498 -8.744 496 HB2 LEU 60 HB2 LEU 60 2.799 2.195 -9.428 497 HB3 LEU 60 HB3 LEU 60 2.032 3.757 -9.224 498 HG LEU 60 HG LEU 60 2.330 1.618 -7.117 499 HD11 LEU 60 HD11 LEU 60 4.386 2.817 -7.591 500 HD12 LEU 60 HD12 LEU 60 3.746 3.285 -6.015 501 HD13 LEU 60 HD13 LEU 60 3.550 4.358 -7.401 502 HD21 LEU 60 HD21 LEU 60 1.325 3.229 -5.582 503 HD22 LEU 60 HD22 LEU 60 0.200 2.791 -6.867 504 HD23 LEU 60 HD23 LEU 60 1.043 4.340 -6.921 505 H LYS 61 H LYS 61 1.653 1.164 -11.506 506 HA LYS 61 HA LYS 61 1.064 3.080 -13.418 507 HB2 LYS 61 HB2 LYS 61 2.641 1.323 -13.808 508 HB3 LYS 61 HB3 LYS 61 1.419 0.090 -13.546 509 HG2 LYS 61 HG2 LYS 61 0.270 1.219 -15.600 510 HG3 LYS 61 HG3 LYS 61 1.908 1.807 -15.920 511 HD2 LYS 61 HD2 LYS 61 1.046 -1.060 -15.579 512 HD3 LYS 61 HD3 LYS 61 1.572 -0.277 -17.060 513 HE2 LYS 61 HE2 LYS 61 3.296 -0.547 -14.618 514 HE3 LYS 61 HE3 LYS 61 3.297 -1.705 -15.941 515 HZ1 LYS 61 HZ1 LYS 61 3.985 1.181 -16.152 516 HZ2 LYS 61 HZ2 LYS 61 3.968 0.080 -17.443 517 HZ3 LYS 61 HZ3 LYS 61 5.083 -0.111 -16.180 518 H ALA 62 H ALA 62 -0.699 0.131 -12.541 519 HA ALA 62 HA ALA 62 -2.848 0.377 -14.288 520 HB1 ALA 62 HB1 ALA 62 -2.856 -0.837 -11.530 521 HB2 ALA 62 HB2 ALA 62 -2.359 -1.649 -13.015 522 HB3 ALA 62 HB3 ALA 62 -4.036 -1.143 -12.806 523 H VAL 63 H VAL 63 -2.634 1.528 -10.896 524 HA VAL 63 HA VAL 63 -5.277 2.574 -10.924 525 HB VAL 63 HB VAL 63 -4.145 1.927 -8.832 526 HG11 VAL 63 HG11 VAL 63 -1.916 2.756 -9.277 527 HG12 VAL 63 HG12 VAL 63 -2.541 3.447 -7.780 528 HG13 VAL 63 HG13 VAL 63 -2.506 4.418 -9.251 529 HG21 VAL 63 HG21 VAL 63 -4.935 3.811 -7.474 530 HG22 VAL 63 HG22 VAL 63 -6.082 3.383 -8.745 531 HG23 VAL 63 HG23 VAL 63 -5.049 4.801 -8.929 532 H MET 64 H MET 64 -2.152 3.947 -11.764 533 HA MET 64 HA MET 64 -3.045 6.650 -11.937 534 HB2 MET 64 HB2 MET 64 -0.754 5.217 -13.296 535 HB3 MET 64 HB3 MET 64 -1.055 6.940 -13.470 536 HG2 MET 64 HG2 MET 64 -0.752 7.234 -11.065 537 HG3 MET 64 HG3 MET 64 -0.453 5.504 -10.893 538 HE1 MET 64 HE1 MET 64 1.841 5.943 -9.667 539 HE2 MET 64 HE2 MET 64 1.561 7.680 -9.777 540 HE3 MET 64 HE3 MET 64 3.104 7.002 -10.296 541 H LYS 65 H LYS 65 -3.065 3.909 -14.114 542 HA LYS 65 HA LYS 65 -3.790 5.383 -16.430 543 HB2 LYS 65 HB2 LYS 65 -2.595 3.276 -16.588 544 HB3 LYS 65 HB3 LYS 65 -3.910 2.436 -15.784 545 HG2 LYS 65 HG2 LYS 65 -4.447 3.890 -18.327 546 HG3 LYS 65 HG3 LYS 65 -3.643 2.318 -18.370 547 HD2 LYS 65 HD2 LYS 65 -6.236 2.822 -16.925 548 HD3 LYS 65 HD3 LYS 65 -6.142 2.265 -18.590 549 HE2 LYS 65 HE2 LYS 65 -4.790 0.826 -16.328 550 HE3 LYS 65 HE3 LYS 65 -6.449 0.486 -16.811 551 HZ1 LYS 65 HZ1 LYS 65 -5.607 0.007 -19.061 552 HZ2 LYS 65 HZ2 LYS 65 -4.975 -1.049 -17.894 553 HZ3 LYS 65 HZ3 LYS 65 -4.019 0.214 -18.501 554 H ARG 66 H ARG 66 -5.614 3.205 -14.266 555 HA ARG 66 HA ARG 66 -8.043 3.807 -15.708 556 HB2 ARG 66 HB2 ARG 66 -9.112 2.184 -14.266 557 HB3 ARG 66 HB3 ARG 66 -7.607 1.537 -14.894 558 HG2 ARG 66 HG2 ARG 66 -6.523 2.115 -12.736 559 HG3 ARG 66 HG3 ARG 66 -8.109 2.585 -12.120 560 HD2 ARG 66 HD2 ARG 66 -7.295 -0.140 -13.118 561 HD3 ARG 66 HD3 ARG 66 -7.594 0.319 -11.443 562 HE ARG 66 HE ARG 66 -9.890 0.864 -12.977 563 HH11 ARG 66 HH11 ARG 66 -8.056 -1.890 -11.813 564 HH12 ARG 66 HH12 ARG 66 -9.460 -2.909 -11.674 565 HH21 ARG 66 HH21 ARG 66 -11.712 -0.501 -12.824 566 HH22 ARG 66 HH22 ARG 66 -11.514 -2.135 -12.256 567 H GLY 67 H GLY 67 -6.428 5.102 -12.992 568 HA2 GLY 67 HA2 GLY 67 -8.892 6.562 -12.264 569 HA3 GLY 67 HA3 GLY 67 -7.707 6.055 -11.067 570 H ALA 68 H ALA 68 -5.890 7.268 -10.733 571 HA ALA 68 HA ALA 68 -5.109 9.374 -12.523 572 HB1 ALA 68 HB1 ALA 68 -5.511 11.232 -10.992 573 HB2 ALA 68 HB2 ALA 68 -6.293 10.138 -9.850 574 HB3 ALA 68 HB3 ALA 68 -7.027 10.442 -11.424 575 HA PRO 69 HA PRO 69 -1.281 8.483 -10.577 576 HB2 PRO 69 HB2 PRO 69 -0.368 11.158 -11.345 577 HB3 PRO 69 HB3 PRO 69 0.165 9.580 -11.921 578 HG2 PRO 69 HG2 PRO 69 -1.255 11.274 -13.467 579 HG3 PRO 69 HG3 PRO 69 -1.382 9.511 -13.609 580 HD2 PRO 69 HD2 PRO 69 -3.225 11.445 -12.262 581 HD3 PRO 69 HD3 PRO 69 -3.607 10.009 -13.237 582 H SER 70 H SER 70 -2.851 11.569 -9.961 583 HA SER 70 HA SER 70 -1.365 12.402 -7.745 584 HB2 SER 70 HB2 SER 70 -4.322 12.875 -8.149 585 HB3 SER 70 HB3 SER 70 -3.159 13.921 -7.330 586 HG SER 70 HG SER 70 -3.625 14.650 -9.459 587 H ILE 71 H ILE 71 -4.083 10.187 -8.031 588 HA ILE 71 HA ILE 71 -4.544 9.835 -5.254 589 HB ILE 71 HB ILE 71 -5.124 7.929 -7.532 590 HG12 ILE 71 HG12 ILE 71 -6.907 9.983 -6.202 591 HG13 ILE 71 HG13 ILE 71 -6.179 10.155 -7.795 592 HG21 ILE 71 HG21 ILE 71 -6.788 6.956 -6.014 593 HG22 ILE 71 HG22 ILE 71 -6.243 8.037 -4.732 594 HG23 ILE 71 HG23 ILE 71 -5.153 6.805 -5.373 595 HD11 ILE 71 HD11 ILE 71 -8.205 8.083 -6.977 596 HD12 ILE 71 HD12 ILE 71 -7.461 8.210 -8.571 597 HD13 ILE 71 HD13 ILE 71 -8.501 9.504 -7.976 598 H ALA 72 H ALA 72 -2.701 7.997 -7.662 599 HA ALA 72 HA ALA 72 -1.790 5.961 -5.977 600 HB1 ALA 72 HB1 ALA 72 -0.077 5.560 -7.672 601 HB2 ALA 72 HB2 ALA 72 -0.448 7.116 -8.417 602 HB3 ALA 72 HB3 ALA 72 -1.658 5.832 -8.403 603 H ASN 73 H ASN 73 -0.515 9.175 -6.608 604 HA ASN 73 HA ASN 73 1.973 8.825 -5.306 605 HB2 ASN 73 HB2 ASN 73 1.595 10.607 -6.923 606 HB3 ASN 73 HB3 ASN 73 0.343 11.307 -5.907 607 HD21 ASN 73 HD21 ASN 73 0.900 12.520 -4.149 608 HD22 ASN 73 HD22 ASN 73 2.516 13.077 -3.887 609 H ASP 74 H ASP 74 -1.241 9.717 -4.186 610 HA ASP 74 HA ASP 74 -0.343 10.355 -1.536 611 HB2 ASP 74 HB2 ASP 74 -2.503 11.195 -2.539 612 HB3 ASP 74 HB3 ASP 74 -3.146 9.565 -2.349 613 H THR 75 H THR 75 -1.738 7.537 -3.148 614 HA THR 75 HA THR 75 -1.974 5.813 -0.986 615 HB THR 75 HB THR 75 -1.129 5.039 -3.787 616 HG1 THR 75 HG1 THR 75 -3.643 4.650 -3.649 617 HG21 THR 75 HG21 THR 75 -0.937 3.222 -2.144 618 HG22 THR 75 HG22 THR 75 -2.244 2.919 -3.289 619 HG23 THR 75 HG23 THR 75 -2.613 3.487 -1.662 620 H LEU 76 H LEU 76 0.865 6.356 -3.089 621 HA LEU 76 HA LEU 76 2.512 4.499 -1.727 622 HB2 LEU 76 HB2 LEU 76 4.398 5.584 -2.886 623 HB3 LEU 76 HB3 LEU 76 3.096 5.139 -3.960 624 HG LEU 76 HG LEU 76 2.397 7.653 -3.680 625 HD11 LEU 76 HD11 LEU 76 4.324 9.136 -3.421 626 HD12 LEU 76 HD12 LEU 76 5.341 7.750 -3.029 627 HD13 LEU 76 HD13 LEU 76 4.024 8.210 -1.951 628 HD21 LEU 76 HD21 LEU 76 3.776 8.209 -5.617 629 HD22 LEU 76 HD22 LEU 76 3.076 6.596 -5.765 630 HD23 LEU 76 HD23 LEU 76 4.772 6.785 -5.319 631 H ARG 77 H ARG 77 1.655 7.792 -1.127 632 HA ARG 77 HA ARG 77 3.694 8.434 0.724 633 HB2 ARG 77 HB2 ARG 77 1.999 9.980 -0.460 634 HB3 ARG 77 HB3 ARG 77 0.895 9.531 0.831 635 HG2 ARG 77 HG2 ARG 77 2.424 10.432 2.483 636 HG3 ARG 77 HG3 ARG 77 3.579 10.837 1.210 637 HD2 ARG 77 HD2 ARG 77 1.649 12.177 0.174 638 HD3 ARG 77 HD3 ARG 77 0.886 12.031 1.757 639 HE ARG 77 HE ARG 77 3.151 13.032 2.541 640 HH11 ARG 77 HH11 ARG 77 1.358 13.871 -0.350 641 HH12 ARG 77 HH12 ARG 77 2.019 15.474 -0.447 642 HH21 ARG 77 HH21 ARG 77 4.034 15.143 2.403 643 HH22 ARG 77 HH22 ARG 77 3.526 16.194 1.103 644 H TRP 78 H TRP 78 0.565 6.824 1.031 645 HA TRP 78 HA TRP 78 0.657 6.605 3.878 646 HB2 TRP 78 HB2 TRP 78 -0.872 5.009 1.816 647 HB3 TRP 78 HB3 TRP 78 -1.062 4.798 3.550 648 HD1 TRP 78 HD1 TRP 78 -2.174 6.942 0.678 649 HE1 TRP 78 HE1 TRP 78 -3.847 8.713 1.502 650 HE3 TRP 78 HE3 TRP 78 -1.592 6.304 5.719 651 HZ2 TRP 78 HZ2 TRP 78 -4.802 9.698 3.971 652 HZ3 TRP 78 HZ3 TRP 78 -2.930 7.699 7.243 653 HH2 TRP 78 HH2 TRP 78 -4.500 9.361 6.385 654 H LEU 79 H LEU 79 1.778 4.628 1.200 655 HA LEU 79 HA LEU 79 2.429 2.276 2.554 656 HB2 LEU 79 HB2 LEU 79 3.901 3.528 0.231 657 HB3 LEU 79 HB3 LEU 79 4.021 1.854 0.734 658 HG LEU 79 HG LEU 79 1.562 3.196 -0.394 659 HD11 LEU 79 HD11 LEU 79 3.273 2.782 -2.064 660 HD12 LEU 79 HD12 LEU 79 1.920 1.673 -2.281 661 HD13 LEU 79 HD13 LEU 79 3.412 1.106 -1.532 662 HD21 LEU 79 HD21 LEU 79 1.990 0.326 0.433 663 HD22 LEU 79 HD22 LEU 79 0.548 0.984 -0.342 664 HD23 LEU 79 HD23 LEU 79 0.989 1.504 1.285 665 H LYS 80 H LYS 80 4.195 5.290 2.216 666 HA LYS 80 HA LYS 80 6.653 4.801 3.230 667 HB2 LYS 80 HB2 LYS 80 6.027 6.981 2.519 668 HB3 LYS 80 HB3 LYS 80 4.707 7.056 3.673 669 HG2 LYS 80 HG2 LYS 80 6.236 8.423 4.656 670 HG3 LYS 80 HG3 LYS 80 6.615 6.886 5.433 671 HD2 LYS 80 HD2 LYS 80 8.027 7.866 2.972 672 HD3 LYS 80 HD3 LYS 80 8.550 8.245 4.598 673 HE2 LYS 80 HE2 LYS 80 8.689 5.793 5.054 674 HE3 LYS 80 HE3 LYS 80 8.367 5.524 3.339 675 HZ1 LYS 80 HZ1 LYS 80 10.702 5.465 3.636 676 HZ2 LYS 80 HZ2 LYS 80 10.706 6.897 4.542 677 HZ3 LYS 80 HZ3 LYS 80 10.352 6.945 2.881 678 H ARG 81 H ARG 81 3.741 5.490 5.157 679 HA ARG 81 HA ARG 81 5.069 5.130 7.658 680 HB2 ARG 81 HB2 ARG 81 2.089 4.995 7.262 681 HB3 ARG 81 HB3 ARG 81 2.981 5.577 8.659 682 HG2 ARG 81 HG2 ARG 81 3.733 7.514 7.366 683 HG3 ARG 81 HG3 ARG 81 2.817 6.934 5.976 684 HD2 ARG 81 HD2 ARG 81 0.776 6.989 7.476 685 HD3 ARG 81 HD3 ARG 81 1.770 7.877 8.627 686 HE ARG 81 HE ARG 81 1.317 8.856 5.879 687 HH11 ARG 81 HH11 ARG 81 1.338 9.399 9.351 688 HH12 ARG 81 HH12 ARG 81 0.908 11.082 9.200 689 HH21 ARG 81 HH21 ARG 81 0.751 11.036 5.694 690 HH22 ARG 81 HH22 ARG 81 0.570 12.008 7.123 691 H MET 82 H MET 82 2.776 3.189 5.770 692 HA MET 82 HA MET 82 2.313 1.181 7.643 693 HB2 MET 82 HB2 MET 82 0.990 1.525 5.573 694 HB3 MET 82 HB3 MET 82 2.318 0.852 4.641 695 HG2 MET 82 HG2 MET 82 2.084 -1.266 5.836 696 HG3 MET 82 HG3 MET 82 0.748 -0.590 6.766 697 HE1 MET 82 HE1 MET 82 0.627 -1.458 2.236 698 HE2 MET 82 HE2 MET 82 1.948 -1.948 3.296 699 HE3 MET 82 HE3 MET 82 1.685 -0.238 2.948 700 H PHE 83 H PHE 83 4.768 1.242 5.051 701 HA PHE 83 HA PHE 83 5.682 -1.390 5.625 702 HB2 PHE 83 HB2 PHE 83 6.833 0.848 3.976 703 HB3 PHE 83 HB3 PHE 83 7.689 -0.675 4.203 704 HD1 PHE 83 HD2 PHE 83 6.002 -2.786 3.876 705 HD2 PHE 83 HD1 PHE 83 5.679 1.018 2.001 706 HE1 PHE 83 HE2 PHE 83 4.711 -3.804 2.046 707 HE2 PHE 83 HE1 PHE 83 4.385 0.009 0.169 708 HZ PHE 83 HZ PHE 83 3.901 -2.405 0.187 709 H ASN 84 H ASN 84 6.428 1.706 6.964 710 HA ASN 84 HA ASN 84 8.945 1.149 8.096 711 HB2 ASN 84 HB2 ASN 84 8.081 3.421 8.039 712 HB3 ASN 84 HB3 ASN 84 6.724 2.966 9.064 713 HD21 ASN 84 HD21 ASN 84 10.118 3.618 8.933 714 HD22 ASN 84 HD22 ASN 84 10.359 3.722 10.636 715 H TYR 85 H TYR 85 5.672 0.780 9.362 716 HA TYR 85 HA TYR 85 6.209 -0.289 11.857 717 HB2 TYR 85 HB2 TYR 85 3.937 -0.756 9.939 718 HB3 TYR 85 HB3 TYR 85 3.994 -1.565 11.499 719 HD1 TYR 85 HD1 TYR 85 3.917 1.781 9.894 720 HD2 TYR 85 HD2 TYR 85 3.285 -0.473 13.443 721 HE1 TYR 85 HE1 TYR 85 2.856 3.738 10.938 722 HE2 TYR 85 HE2 TYR 85 2.224 1.476 14.502 723 HH TYR 85 HH TYR 85 1.374 4.303 12.715 724 H ALA 86 H ALA 86 6.149 -1.921 8.723 725 HA ALA 86 HA ALA 86 6.302 -4.562 9.696 726 HB1 ALA 86 HB1 ALA 86 6.987 -5.169 7.437 727 HB2 ALA 86 HB2 ALA 86 7.280 -3.472 7.060 728 HB3 ALA 86 HB3 ALA 86 5.642 -4.028 7.405 729 H ILE 87 H ILE 87 8.764 -2.153 8.995 730 HA ILE 87 HA ILE 87 10.993 -3.898 9.366 731 HB ILE 87 HB ILE 87 10.891 -0.882 9.630 732 HG12 ILE 87 HG12 ILE 87 11.627 -2.593 7.241 733 HG13 ILE 87 HG13 ILE 87 10.116 -1.708 7.420 734 HG21 ILE 87 HG21 ILE 87 13.304 -0.994 9.180 735 HG22 ILE 87 HG22 ILE 87 13.218 -2.756 9.191 736 HG23 ILE 87 HG23 ILE 87 12.872 -1.847 10.662 737 HD11 ILE 87 HD11 ILE 87 11.672 -0.532 5.976 738 HD12 ILE 87 HD12 ILE 87 12.864 -0.491 7.275 739 HD13 ILE 87 HD13 ILE 87 11.347 0.395 7.441 740 H LYS 88 H LYS 88 9.161 -1.699 11.440 741 HA LYS 88 HA LYS 88 10.779 -2.002 13.741 742 HB2 LYS 88 HB2 LYS 88 9.340 -0.106 13.580 743 HB3 LYS 88 HB3 LYS 88 7.923 -1.114 13.334 744 HG2 LYS 88 HG2 LYS 88 9.318 -1.616 15.856 745 HG3 LYS 88 HG3 LYS 88 8.665 0.016 15.694 746 HD2 LYS 88 HD2 LYS 88 6.992 -2.377 15.021 747 HD3 LYS 88 HD3 LYS 88 7.167 -1.839 16.687 748 HE2 LYS 88 HE2 LYS 88 6.267 -0.048 14.441 749 HE3 LYS 88 HE3 LYS 88 5.156 -0.940 15.480 750 HZ1 LYS 88 HZ1 LYS 88 6.032 0.245 17.390 751 HZ2 LYS 88 HZ2 LYS 88 5.465 1.349 16.236 752 HZ3 LYS 88 HZ3 LYS 88 7.133 1.085 16.412 753 H ARG 89 H ARG 89 8.170 -3.863 12.377 754 HA ARG 89 HA ARG 89 7.847 -5.572 14.667 755 HB2 ARG 89 HB2 ARG 89 6.927 -5.782 11.801 756 HB3 ARG 89 HB3 ARG 89 6.589 -7.019 13.002 757 HG2 ARG 89 HG2 ARG 89 5.806 -4.164 13.459 758 HG3 ARG 89 HG3 ARG 89 4.794 -5.255 12.512 759 HD2 ARG 89 HD2 ARG 89 4.061 -5.181 14.834 760 HD3 ARG 89 HD3 ARG 89 4.654 -6.785 14.409 761 HE ARG 89 HE ARG 89 6.710 -5.205 15.573 762 HH11 ARG 89 HH11 ARG 89 3.811 -6.990 16.419 763 HH12 ARG 89 HH12 ARG 89 4.404 -7.434 17.989 764 HH21 ARG 89 HH21 ARG 89 7.467 -5.784 17.661 765 HH22 ARG 89 HH22 ARG 89 6.471 -6.773 18.690 766 H HIS 90 H HIS 90 10.255 -5.207 12.425 767 HA HIS 90 HA HIS 90 12.133 -6.363 11.919 768 HB2 HIS 90 HB2 HIS 90 11.180 -8.107 14.191 769 HB3 HIS 90 HB3 HIS 90 12.694 -8.391 13.337 770 HD1 HIS 90 HD1 HIS 90 11.688 -7.038 16.368 771 HD2 HIS 90 HD2 HIS 90 14.140 -5.608 13.326 772 HE1 HIS 90 HE1 HIS 90 13.141 -5.289 17.434 773 HE2 HIS 90 HE2 HIS 90 14.746 -4.580 15.627 774 H ILE 91 H ILE 91 9.533 -6.927 10.640 775 HA ILE 91 HA ILE 91 9.704 -9.708 9.845 776 HB ILE 91 HB ILE 91 7.990 -7.469 8.745 777 HG12 ILE 91 HG12 ILE 91 7.310 -9.700 10.672 778 HG13 ILE 91 HG13 ILE 91 7.522 -8.007 11.106 779 HG21 ILE 91 HG21 ILE 91 8.327 -9.254 7.118 780 HG22 ILE 91 HG22 ILE 91 6.665 -9.236 7.706 781 HG23 ILE 91 HG23 ILE 91 7.800 -10.447 8.306 782 HD11 ILE 91 HD11 ILE 91 5.395 -9.099 9.277 783 HD12 ILE 91 HD12 ILE 91 5.603 -7.407 9.734 784 HD13 ILE 91 HD13 ILE 91 5.171 -8.605 10.955 785 H ILE 92 H ILE 92 10.401 -6.523 8.496 786 HA ILE 92 HA ILE 92 12.022 -7.828 6.422 787 HB ILE 92 HB ILE 92 11.443 -6.044 4.836 788 HG12 ILE 92 HG12 ILE 92 9.354 -5.199 6.859 789 HG13 ILE 92 HG13 ILE 92 10.859 -4.333 6.568 790 HG21 ILE 92 HG21 ILE 92 9.148 -6.763 4.331 791 HG22 ILE 92 HG22 ILE 92 9.047 -7.514 5.924 792 HG23 ILE 92 HG23 ILE 92 10.199 -8.121 4.734 793 HD11 ILE 92 HD11 ILE 92 10.172 -3.916 4.263 794 HD12 ILE 92 HD12 ILE 92 8.999 -3.284 5.420 795 HD13 ILE 92 HD13 ILE 92 8.667 -4.786 4.558 796 H GLU 93 H GLU 93 13.638 -6.269 5.476 797 HA GLU 93 HA GLU 93 14.659 -4.479 7.582 798 HB2 GLU 93 HB2 GLU 93 16.108 -6.404 7.140 799 HB3 GLU 93 HB3 GLU 93 16.161 -5.987 5.435 800 HG2 GLU 93 HG2 GLU 93 17.343 -3.939 5.948 801 HG3 GLU 93 HG3 GLU 93 17.233 -4.289 7.673 802 H TYR 94 H TYR 94 14.215 -4.919 4.109 803 HA TYR 94 HA TYR 94 14.317 -1.990 3.807 804 HB2 TYR 94 HB2 TYR 94 14.867 -4.111 1.717 805 HB3 TYR 94 HB3 TYR 94 14.878 -2.375 1.435 806 HD1 TYR 94 HD2 TYR 94 16.587 -0.982 2.765 807 HD2 TYR 94 HD1 TYR 94 16.813 -5.212 2.370 808 HE1 TYR 94 HE2 TYR 94 18.975 -0.905 3.347 809 HE2 TYR 94 HE1 TYR 94 19.199 -5.147 2.953 810 HH TYR 94 HH TYR 94 20.678 -2.443 4.321 811 H ASN 95 H ASN 95 12.649 -1.007 2.631 812 HA ASN 95 HA ASN 95 10.239 -2.648 2.432 813 HB2 ASN 95 HB2 ASN 95 9.024 -0.495 2.280 814 HB3 ASN 95 HB3 ASN 95 9.996 -0.611 3.739 815 HD21 ASN 95 HD21 ASN 95 8.956 1.737 2.320 816 HD22 ASN 95 HD22 ASN 95 10.334 2.724 1.975 817 HA PRO 96 HA PRO 96 10.434 -2.803 -1.981 818 HB2 PRO 96 HB2 PRO 96 7.767 -3.072 -2.514 819 HB3 PRO 96 HB3 PRO 96 8.796 -4.395 -1.955 820 HG2 PRO 96 HG2 PRO 96 6.900 -2.680 -0.409 821 HG3 PRO 96 HG3 PRO 96 7.203 -4.422 -0.276 822 HD2 PRO 96 HD2 PRO 96 8.232 -2.628 1.468 823 HD3 PRO 96 HD3 PRO 96 9.083 -4.121 1.025 824 H ALA 97 H ALA 97 8.603 -0.455 -0.265 825 HA ALA 97 HA ALA 97 7.961 1.097 -2.634 826 HB1 ALA 97 HB1 ALA 97 7.467 1.706 0.279 827 HB2 ALA 97 HB2 ALA 97 6.318 0.958 -0.830 828 HB3 ALA 97 HB3 ALA 97 6.841 2.620 -1.094 829 H ALA 98 H ALA 98 10.766 0.574 -1.407 830 HA ALA 98 HA ALA 98 11.806 3.020 -0.500 831 HB1 ALA 98 HB1 ALA 98 13.230 0.817 -1.992 832 HB2 ALA 98 HB2 ALA 98 12.996 0.903 -0.245 833 HB3 ALA 98 HB3 ALA 98 13.999 2.103 -1.061 834 H ALA 99 H ALA 99 11.208 1.789 -3.711 835 HA ALA 99 HA ALA 99 12.619 3.966 -5.005 836 HB1 ALA 99 HB1 ALA 99 12.673 1.725 -5.984 837 HB2 ALA 99 HB2 ALA 99 11.945 2.894 -7.087 838 HB3 ALA 99 HB3 ALA 99 10.922 1.771 -6.190 839 H PHE 100 H PHE 100 9.672 3.634 -3.559 840 HA PHE 100 HA PHE 100 8.416 5.659 -5.304 841 HB2 PHE 100 HB2 PHE 100 6.936 3.628 -3.612 842 HB3 PHE 100 HB3 PHE 100 6.257 4.709 -4.826 843 HD1 PHE 100 HD2 PHE 100 6.956 4.366 -7.246 844 HD2 PHE 100 HD1 PHE 100 7.648 1.493 -4.186 845 HE1 PHE 100 HE2 PHE 100 7.254 2.621 -8.956 846 HE2 PHE 100 HE1 PHE 100 7.944 -0.257 -5.886 847 HZ PHE 100 HZ PHE 100 7.750 0.307 -8.273 848 H ASP 101 H ASP 101 10.181 5.724 -2.930 849 HA ASP 101 HA ASP 101 8.501 6.689 -0.772 850 HB2 ASP 101 HB2 ASP 101 10.254 5.220 -0.112 851 HB3 ASP 101 HB3 ASP 101 11.447 6.114 -1.043 852 HA PRO 102 HA PRO 102 9.152 10.877 -2.216 853 HB2 PRO 102 HB2 PRO 102 7.495 11.658 0.044 854 HB3 PRO 102 HB3 PRO 102 7.142 11.770 -1.681 855 HG2 PRO 102 HG2 PRO 102 5.858 10.050 -0.011 856 HG3 PRO 102 HG3 PRO 102 6.108 9.728 -1.737 857 HD2 PRO 102 HD2 PRO 102 7.616 8.681 0.629 858 HD3 PRO 102 HD3 PRO 102 7.115 7.837 -0.852 859 H GLY 103 H GLY 103 9.745 9.524 0.920 860 HA2 GLY 103 HA2 GLY 103 11.238 10.090 2.573 861 HA3 GLY 103 HA3 GLY 103 11.962 11.218 1.437 862 H ASP 104 H ASP 104 8.644 11.724 1.853 863 HA ASP 104 HA ASP 104 9.130 14.270 3.060 864 HB2 ASP 104 HB2 ASP 104 7.380 14.066 1.384 865 HB3 ASP 104 HB3 ASP 104 6.525 12.892 2.380 866 H ALA 105 H ALA 105 9.925 13.974 5.062 867 HA ALA 105 HA ALA 105 8.008 12.968 7.054 868 HB1 ALA 105 HB1 ALA 105 9.927 11.453 6.884 869 HB2 ALA 105 HB2 ALA 105 9.903 12.278 8.444 870 HB3 ALA 105 HB3 ALA 105 11.022 12.802 7.186 871 H GLY 106 H GLY 106 8.362 14.001 9.227 872 HA2 GLY 106 HA2 GLY 106 9.105 16.836 8.838 873 HA3 GLY 106 HA3 GLY 106 7.839 16.287 9.927 874 H GLY 107 H GLY 107 9.766 13.975 10.593 875 HA2 GLY 107 HA2 GLY 107 11.884 13.925 11.813 876 HA3 GLY 107 HA3 GLY 107 11.497 15.534 12.409 877 H LYS 108 H LYS 108 8.695 13.832 12.335 878 HA LYS 108 HA LYS 108 8.612 13.523 15.169 879 HB2 LYS 108 HB2 LYS 108 6.680 12.955 12.946 880 HB3 LYS 108 HB3 LYS 108 6.350 12.421 14.591 881 HG2 LYS 108 HG2 LYS 108 6.835 15.250 13.699 882 HG3 LYS 108 HG3 LYS 108 5.285 14.541 14.173 883 HD2 LYS 108 HD2 LYS 108 6.137 14.134 16.415 884 HD3 LYS 108 HD3 LYS 108 7.711 14.787 15.951 885 HE2 LYS 108 HE2 LYS 108 6.744 16.948 15.561 886 HE3 LYS 108 HE3 LYS 108 5.133 16.308 15.856 887 HZ1 LYS 108 HZ1 LYS 108 5.750 15.868 18.142 888 HZ2 LYS 108 HZ2 LYS 108 5.988 17.505 17.773 889 HZ3 LYS 108 HZ3 LYS 108 7.318 16.459 17.862 890 H LEU 109 H LEU 109 8.319 11.685 16.351 891 HA LEU 109 HA LEU 109 9.070 9.181 15.007 892 HB2 LEU 109 HB2 LEU 109 10.170 8.561 17.239 893 HB3 LEU 109 HB3 LEU 109 11.018 9.658 16.170 894 HG LEU 109 HG LEU 109 9.985 11.534 17.622 895 HD11 LEU 109 HD11 LEU 109 9.760 9.229 19.551 896 HD12 LEU 109 HD12 LEU 109 8.405 10.105 18.837 897 HD13 LEU 109 HD13 LEU 109 9.519 10.937 19.921 898 HD21 LEU 109 HD21 LEU 109 12.125 9.697 18.686 899 HD22 LEU 109 HD22 LEU 109 11.845 11.355 19.221 900 HD23 LEU 109 HD23 LEU 109 12.350 11.038 17.561 901 H GLU 110 H GLU 110 8.111 7.298 15.747 902 HA GLU 110 HA GLU 110 5.844 7.650 17.583 903 HB2 GLU 110 HB2 GLU 110 5.527 7.522 14.872 904 HB3 GLU 110 HB3 GLU 110 5.421 5.821 15.298 905 HG2 GLU 110 HG2 GLU 110 3.686 8.063 16.305 906 HG3 GLU 110 HG3 GLU 110 3.220 6.742 15.234 907 H HIS 111 H HIS 111 5.456 5.943 18.906 908 HA HIS 111 HA HIS 111 6.499 3.322 18.401 909 HB2 HIS 111 HB2 HIS 111 7.784 3.298 20.622 910 HB3 HIS 111 HB3 HIS 111 8.550 4.098 19.258 911 HD1 HIS 111 HD1 HIS 111 9.368 6.406 19.657 912 HD2 HIS 111 HD2 HIS 111 6.576 5.226 22.509 913 HE1 HIS 111 HE1 HIS 111 9.319 8.251 21.369 914 HE2 HIS 111 HE2 HIS 111 7.643 7.506 23.100 915 H HIS 112 H HIS 112 3.951 4.145 18.628 916 HA HIS 112 HA HIS 112 2.760 4.144 21.142 917 HB2 HIS 112 HB2 HIS 112 1.902 3.894 18.402 918 HB3 HIS 112 HB3 HIS 112 0.986 2.796 19.427 919 HD1 HIS 112 HD1 HIS 112 1.748 6.467 18.995 920 HD2 HIS 112 HD2 HIS 112 -0.911 3.981 21.019 921 HE1 HIS 112 HE1 HIS 112 -0.011 7.992 19.968 922 HE2 HIS 112 HE2 HIS 112 -1.519 6.481 21.322 923 H HIS 113 H HIS 113 2.917 2.706 22.670 924 HA HIS 113 HA HIS 113 2.175 -0.029 22.161 925 HB2 HIS 113 HB2 HIS 113 4.164 -0.929 23.432 926 HB3 HIS 113 HB3 HIS 113 4.520 -0.322 21.823 927 HD1 HIS 113 HD1 HIS 113 6.880 0.449 22.039 928 HD2 HIS 113 HD2 HIS 113 4.490 1.829 25.155 929 HE1 HIS 113 HE1 HIS 113 8.327 2.022 23.362 930 HE2 HIS 113 HE2 HIS 113 6.913 2.715 25.333 931 H HIS 114 H HIS 114 1.683 -1.185 24.119 932 HA HIS 114 HA HIS 114 0.647 -1.375 26.126 933 HB2 HIS 114 HB2 HIS 114 2.885 -0.919 26.984 934 HB3 HIS 114 HB3 HIS 114 2.612 0.812 26.862 935 HD1 HIS 114 HD1 HIS 114 1.422 -2.192 28.835 936 HD2 HIS 114 HD2 HIS 114 1.552 1.956 29.093 937 HE1 HIS 114 HE1 HIS 114 0.662 -1.635 31.168 938 HE2 HIS 114 HE2 HIS 114 0.998 0.859 31.369 939 H HIS 115 H HIS 115 -1.240 -0.478 24.892 940 HA HIS 115 HA HIS 115 -2.594 1.342 26.599 941 HB2 HIS 115 HB2 HIS 115 -1.168 2.873 25.095 942 HB3 HIS 115 HB3 HIS 115 -2.249 2.390 23.791 943 HD1 HIS 115 HD1 HIS 115 -2.059 4.510 26.844 944 HD2 HIS 115 HD2 HIS 115 -4.890 3.407 23.994 945 HE1 HIS 115 HE1 HIS 115 -3.994 6.091 27.154 946 HE2 HIS 115 HE2 HIS 115 -5.754 5.308 25.533 947 H HIS 116 H HIS 116 -4.520 0.417 26.696 948 HA HIS 116 HA HIS 116 -6.030 -0.099 24.293 949 HB2 HIS 116 HB2 HIS 116 -6.435 -2.465 24.670 950 HB3 HIS 116 HB3 HIS 116 -4.709 -2.190 24.497 951 HD1 HIS 116 HD1 HIS 116 -7.282 -3.405 26.875 952 HD2 HIS 116 HD2 HIS 116 -3.202 -2.579 26.881 953 HE1 HIS 116 HE1 HIS 116 -6.376 -4.472 28.961 954 HE2 HIS 116 HE2 HIS 116 -3.884 -4.117 28.854 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -1.870 -18.285 13.909 2 H2 MET 1 H2 MET 1 -3.361 -17.597 14.332 3 H3 MET 1 H3 MET 1 -2.160 -16.643 13.615 4 HA MET 1 HA MET 1 -3.608 -18.897 12.349 5 HB2 MET 1 HB2 MET 1 -4.619 -17.226 10.911 6 HB3 MET 1 HB3 MET 1 -4.943 -16.827 12.593 7 HG2 MET 1 HG2 MET 1 -3.246 -15.123 12.563 8 HG3 MET 1 HG3 MET 1 -2.775 -15.573 10.925 9 HE1 MET 1 HE1 MET 1 -5.605 -14.061 13.181 10 HE2 MET 1 HE2 MET 1 -6.451 -15.369 12.352 11 HE3 MET 1 HE3 MET 1 -6.856 -13.690 11.995 12 H ALA 2 H ALA 2 -0.801 -16.906 12.403 13 HA ALA 2 HA ALA 2 0.254 -18.315 10.103 14 HB1 ALA 2 HB1 ALA 2 0.102 -15.300 10.095 15 HB2 ALA 2 HB2 ALA 2 -0.865 -16.376 9.087 16 HB3 ALA 2 HB3 ALA 2 0.885 -16.309 8.880 17 H GLU 3 H GLU 3 1.599 -19.187 11.718 18 HA GLU 3 HA GLU 3 3.500 -19.394 12.916 19 HB2 GLU 3 HB2 GLU 3 4.121 -17.154 11.076 20 HB3 GLU 3 HB3 GLU 3 5.202 -17.381 12.445 21 HG2 GLU 3 HG2 GLU 3 4.513 -19.438 10.360 22 HG3 GLU 3 HG3 GLU 3 6.035 -18.555 10.507 23 H LYS 4 H LYS 4 5.156 -17.792 14.254 24 HA LYS 4 HA LYS 4 3.547 -16.797 16.399 25 HB2 LYS 4 HB2 LYS 4 5.726 -16.222 17.440 26 HB3 LYS 4 HB3 LYS 4 5.641 -17.896 16.908 27 HG2 LYS 4 HG2 LYS 4 6.949 -17.339 14.927 28 HG3 LYS 4 HG3 LYS 4 7.019 -15.653 15.443 29 HD2 LYS 4 HD2 LYS 4 8.174 -16.368 17.507 30 HD3 LYS 4 HD3 LYS 4 8.166 -18.029 16.909 31 HE2 LYS 4 HE2 LYS 4 9.522 -17.383 15.010 32 HE3 LYS 4 HE3 LYS 4 9.464 -15.694 15.513 33 HZ1 LYS 4 HZ1 LYS 4 10.612 -16.351 17.573 34 HZ2 LYS 4 HZ2 LYS 4 11.538 -16.650 16.185 35 HZ3 LYS 4 HZ3 LYS 4 10.759 -17.935 16.976 36 H ASN 5 H ASN 5 5.250 -15.451 13.685 37 HA ASN 5 HA ASN 5 3.718 -13.082 13.750 38 HB2 ASN 5 HB2 ASN 5 5.386 -12.519 15.539 39 HB3 ASN 5 HB3 ASN 5 6.663 -12.668 14.338 40 HD21 ASN 5 HD21 ASN 5 3.899 -10.808 15.376 41 HD22 ASN 5 HD22 ASN 5 4.265 -9.389 14.452 42 H ALA 6 H ALA 6 3.404 -14.173 11.699 43 HA ALA 6 HA ALA 6 5.007 -12.920 9.664 44 HB1 ALA 6 HB1 ALA 6 4.890 -15.938 9.758 45 HB2 ALA 6 HB2 ALA 6 6.325 -14.956 10.051 46 HB3 ALA 6 HB3 ALA 6 5.576 -14.968 8.455 47 H TYR 7 H TYR 7 2.819 -11.989 9.651 48 HA TYR 7 HA TYR 7 0.727 -13.755 8.629 49 HB2 TYR 7 HB2 TYR 7 -0.742 -11.703 9.113 50 HB3 TYR 7 HB3 TYR 7 -0.087 -12.589 10.484 51 HD1 TYR 7 HD2 TYR 7 0.153 -9.475 8.526 52 HD2 TYR 7 HD1 TYR 7 1.509 -11.581 11.965 53 HE1 TYR 7 HE2 TYR 7 1.128 -7.399 9.412 54 HE2 TYR 7 HE1 TYR 7 2.483 -9.509 12.858 55 HH TYR 7 HH TYR 7 1.763 -6.460 11.618 56 H THR 8 H THR 8 -0.843 -12.692 7.109 57 HA THR 8 HA THR 8 0.496 -12.048 4.689 58 HB THR 8 HB THR 8 -2.455 -11.731 5.233 59 HG1 THR 8 HG1 THR 8 -2.296 -14.104 4.437 60 HG21 THR 8 HG21 THR 8 -1.745 -11.039 3.025 61 HG22 THR 8 HG22 THR 8 -2.631 -12.558 2.902 62 HG23 THR 8 HG23 THR 8 -0.870 -12.554 2.799 63 H VAL 9 H VAL 9 0.210 -10.104 3.403 64 HA VAL 9 HA VAL 9 0.570 -7.690 4.789 65 HB VAL 9 HB VAL 9 1.320 -8.090 2.447 66 HG11 VAL 9 HG11 VAL 9 -0.650 -9.190 1.564 67 HG12 VAL 9 HG12 VAL 9 -0.261 -7.765 0.603 68 HG13 VAL 9 HG13 VAL 9 -1.592 -7.710 1.761 69 HG21 VAL 9 HG21 VAL 9 1.261 -5.825 3.324 70 HG22 VAL 9 HG22 VAL 9 -0.422 -5.656 2.823 71 HG23 VAL 9 HG23 VAL 9 0.845 -5.837 1.610 72 H ALA 10 H ALA 10 -2.295 -9.310 3.656 73 HA ALA 10 HA ALA 10 -4.151 -7.224 3.823 74 HB1 ALA 10 HB1 ALA 10 -5.837 -8.968 4.047 75 HB2 ALA 10 HB2 ALA 10 -4.580 -10.153 4.412 76 HB3 ALA 10 HB3 ALA 10 -4.647 -9.398 2.819 77 H GLN 11 H GLN 11 -2.910 -9.429 6.290 78 HA GLN 11 HA GLN 11 -4.584 -8.393 8.367 79 HB2 GLN 11 HB2 GLN 11 -2.306 -10.327 8.250 80 HB3 GLN 11 HB3 GLN 11 -2.771 -9.661 9.809 81 HG2 GLN 11 HG2 GLN 11 -3.834 -11.809 9.411 82 HG3 GLN 11 HG3 GLN 11 -5.030 -10.520 9.518 83 HE21 GLN 11 HE21 GLN 11 -3.486 -12.838 7.450 84 HE22 GLN 11 HE22 GLN 11 -4.581 -12.675 6.110 85 H LEU 12 H LEU 12 -1.424 -7.667 7.097 86 HA LEU 12 HA LEU 12 -0.518 -6.012 9.209 87 HB2 LEU 12 HB2 LEU 12 0.995 -6.850 7.484 88 HB3 LEU 12 HB3 LEU 12 0.129 -5.946 6.257 89 HG LEU 12 HG LEU 12 0.819 -3.837 7.399 90 HD11 LEU 12 HD11 LEU 12 2.626 -3.930 9.040 91 HD12 LEU 12 HD12 LEU 12 2.546 -5.692 9.036 92 HD13 LEU 12 HD13 LEU 12 1.182 -4.747 9.634 93 HD21 LEU 12 HD21 LEU 12 3.065 -5.658 6.540 94 HD22 LEU 12 HD22 LEU 12 3.118 -3.895 6.592 95 HD23 LEU 12 HD23 LEU 12 2.034 -4.712 5.465 96 H ALA 13 H ALA 13 -2.127 -5.280 6.130 97 HA ALA 13 HA ALA 13 -2.481 -2.523 6.615 98 HB1 ALA 13 HB1 ALA 13 -4.064 -2.583 4.766 99 HB2 ALA 13 HB2 ALA 13 -4.095 -4.346 4.834 100 HB3 ALA 13 HB3 ALA 13 -2.612 -3.505 4.380 101 H ASP 14 H ASP 14 -4.297 -5.345 7.541 102 HA ASP 14 HA ASP 14 -6.699 -4.108 8.316 103 HB2 ASP 14 HB2 ASP 14 -6.522 -6.529 8.115 104 HB3 ASP 14 HB3 ASP 14 -5.361 -6.577 9.439 105 H GLU 15 H GLU 15 -3.761 -4.846 10.195 106 HA GLU 15 HA GLU 15 -4.755 -3.561 12.547 107 HB2 GLU 15 HB2 GLU 15 -2.970 -5.329 12.581 108 HB3 GLU 15 HB3 GLU 15 -1.866 -4.149 11.883 109 HG2 GLU 15 HG2 GLU 15 -2.507 -2.676 13.888 110 HG3 GLU 15 HG3 GLU 15 -3.131 -4.163 14.595 111 H TYR 16 H TYR 16 -2.699 -2.619 9.848 112 HA TYR 16 HA TYR 16 -1.857 -0.123 10.786 113 HB2 TYR 16 HB2 TYR 16 -0.966 -1.225 8.751 114 HB3 TYR 16 HB3 TYR 16 -2.488 -0.902 7.927 115 HD1 TYR 16 HD1 TYR 16 0.357 0.805 9.618 116 HD2 TYR 16 HD2 TYR 16 -2.777 1.100 6.758 117 HE1 TYR 16 HE1 TYR 16 1.223 2.994 8.904 118 HE2 TYR 16 HE2 TYR 16 -1.918 3.286 6.037 119 HH TYR 16 HH TYR 16 -0.566 5.086 6.854 120 H PHE 17 H PHE 17 -4.838 -1.138 9.235 121 HA PHE 17 HA PHE 17 -6.100 1.341 8.947 122 HB2 PHE 17 HB2 PHE 17 -6.951 -0.845 8.084 123 HB3 PHE 17 HB3 PHE 17 -7.369 -1.297 9.731 124 HD1 PHE 17 HD1 PHE 17 -9.190 -0.094 10.912 125 HD2 PHE 17 HD2 PHE 17 -8.322 0.587 6.805 126 HE1 PHE 17 HE1 PHE 17 -11.400 0.946 10.622 127 HE2 PHE 17 HE2 PHE 17 -10.530 1.629 6.507 128 HZ PHE 17 HZ PHE 17 -12.071 1.813 8.417 129 H GLU 18 H GLU 18 -6.165 -0.940 11.679 130 HA GLU 18 HA GLU 18 -7.633 0.730 13.415 131 HB2 GLU 18 HB2 GLU 18 -6.212 -1.811 13.585 132 HB3 GLU 18 HB3 GLU 18 -6.111 -0.877 15.070 133 HG2 GLU 18 HG2 GLU 18 -7.990 -2.402 15.130 134 HG3 GLU 18 HG3 GLU 18 -8.535 -0.727 15.161 135 H ARG 19 H ARG 19 -4.304 0.733 12.508 136 HA ARG 19 HA ARG 19 -3.341 2.139 14.813 137 HB2 ARG 19 HB2 ARG 19 -2.137 1.781 12.062 138 HB3 ARG 19 HB3 ARG 19 -1.311 2.545 13.411 139 HG2 ARG 19 HG2 ARG 19 -2.256 -0.311 13.295 140 HG3 ARG 19 HG3 ARG 19 -0.592 0.248 13.112 141 HD2 ARG 19 HD2 ARG 19 -0.682 1.173 15.396 142 HD3 ARG 19 HD3 ARG 19 -2.317 0.539 15.569 143 HE ARG 19 HE ARG 19 -0.375 -1.463 14.849 144 HH11 ARG 19 HH11 ARG 19 -1.853 0.279 17.506 145 HH12 ARG 19 HH12 ARG 19 -1.533 -0.968 18.670 146 HH21 ARG 19 HH21 ARG 19 0.092 -3.075 16.372 147 HH22 ARG 19 HH22 ARG 19 -0.371 -2.862 18.039 148 H MET 20 H MET 20 -3.950 3.132 11.435 149 HA MET 20 HA MET 20 -3.369 5.884 12.175 150 HB2 MET 20 HB2 MET 20 -3.883 4.553 9.523 151 HB3 MET 20 HB3 MET 20 -3.657 6.288 9.696 152 HG2 MET 20 HG2 MET 20 -1.653 4.187 10.495 153 HG3 MET 20 HG3 MET 20 -1.614 5.125 9.002 154 HE1 MET 20 HE1 MET 20 1.362 6.620 11.079 155 HE2 MET 20 HE2 MET 20 0.886 5.853 9.564 156 HE3 MET 20 HE3 MET 20 0.833 4.938 11.070 157 H ILE 21 H ILE 21 -6.167 3.947 11.411 158 HA ILE 21 HA ILE 21 -7.837 6.229 10.854 159 HB ILE 21 HB ILE 21 -8.385 3.283 11.133 160 HG12 ILE 21 HG12 ILE 21 -9.244 3.612 8.799 161 HG13 ILE 21 HG13 ILE 21 -8.710 5.283 8.885 162 HG21 ILE 21 HG21 ILE 21 -10.474 5.431 10.807 163 HG22 ILE 21 HG22 ILE 21 -10.281 4.355 12.193 164 HG23 ILE 21 HG23 ILE 21 -10.746 3.698 10.624 165 HD11 ILE 21 HD11 ILE 21 -6.935 2.862 9.073 166 HD12 ILE 21 HD12 ILE 21 -6.406 4.544 9.122 167 HD13 ILE 21 HD13 ILE 21 -7.141 3.893 7.656 168 H ALA 22 H ALA 22 -6.870 4.451 13.657 169 HA ALA 22 HA ALA 22 -8.980 5.445 15.340 170 HB1 ALA 22 HB1 ALA 22 -7.684 4.523 17.189 171 HB2 ALA 22 HB2 ALA 22 -6.332 4.220 16.098 172 HB3 ALA 22 HB3 ALA 22 -7.851 3.349 15.884 173 H GLY 23 H GLY 23 -9.027 7.639 15.214 174 HA2 GLY 23 HA2 GLY 23 -7.743 9.227 16.968 175 HA3 GLY 23 HA3 GLY 23 -6.641 9.227 15.598 176 H ARG 24 H ARG 24 -7.445 9.960 13.550 177 HA ARG 24 HA ARG 24 -9.921 11.529 13.635 178 HB2 ARG 24 HB2 ARG 24 -7.555 12.794 13.942 179 HB3 ARG 24 HB3 ARG 24 -7.610 12.721 12.189 180 HG2 ARG 24 HG2 ARG 24 -8.503 14.819 12.906 181 HG3 ARG 24 HG3 ARG 24 -9.820 13.838 12.257 182 HD2 ARG 24 HD2 ARG 24 -10.683 13.383 14.387 183 HD3 ARG 24 HD3 ARG 24 -9.198 13.888 15.192 184 HE ARG 24 HE ARG 24 -10.165 16.119 13.865 185 HH11 ARG 24 HH11 ARG 24 -11.296 13.957 16.384 186 HH12 ARG 24 HH12 ARG 24 -12.157 15.200 17.245 187 HH21 ARG 24 HH21 ARG 24 -11.319 17.756 14.981 188 HH22 ARG 24 HH22 ARG 24 -12.181 17.356 16.439 189 H TRP 25 H TRP 25 -11.002 10.181 12.256 190 HA TRP 25 HA TRP 25 -9.652 9.448 9.745 191 HB2 TRP 25 HB2 TRP 25 -10.816 7.308 9.824 192 HB3 TRP 25 HB3 TRP 25 -9.890 7.550 11.301 193 HD1 TRP 25 HD1 TRP 25 -13.302 6.742 10.092 194 HE1 TRP 25 HE1 TRP 25 -14.981 6.659 12.044 195 HE3 TRP 25 HE3 TRP 25 -10.393 8.823 13.748 196 HZ2 TRP 25 HZ2 TRP 25 -15.052 7.380 14.763 197 HZ3 TRP 25 HZ3 TRP 25 -11.347 9.088 15.999 198 HH2 TRP 25 HH2 TRP 25 -13.628 8.381 16.491 199 H LYS 26 H LYS 26 -12.834 9.980 11.230 200 HA LYS 26 HA LYS 26 -14.745 10.882 10.491 201 HB2 LYS 26 HB2 LYS 26 -13.116 12.551 9.483 202 HB3 LYS 26 HB3 LYS 26 -13.361 11.710 7.959 203 HG2 LYS 26 HG2 LYS 26 -14.800 13.584 7.969 204 HG3 LYS 26 HG3 LYS 26 -15.810 12.158 8.206 205 HD2 LYS 26 HD2 LYS 26 -14.787 13.790 10.513 206 HD3 LYS 26 HD3 LYS 26 -16.274 14.196 9.675 207 HE2 LYS 26 HE2 LYS 26 -17.097 11.888 10.173 208 HE3 LYS 26 HE3 LYS 26 -15.660 11.657 11.166 209 HZ1 LYS 26 HZ1 LYS 26 -17.383 12.304 12.609 210 HZ2 LYS 26 HZ2 LYS 26 -17.876 13.571 11.599 211 HZ3 LYS 26 HZ3 LYS 26 -16.400 13.676 12.435 212 H HIS 27 H HIS 27 -13.068 8.890 8.093 213 HA HIS 27 HA HIS 27 -15.630 7.776 7.282 214 HB2 HIS 27 HB2 HIS 27 -14.884 7.986 4.826 215 HB3 HIS 27 HB3 HIS 27 -15.550 9.406 5.618 216 HD1 HIS 27 HD1 HIS 27 -12.097 7.969 4.850 217 HD2 HIS 27 HD2 HIS 27 -14.032 11.612 5.317 218 HE1 HIS 27 HE1 HIS 27 -10.390 9.720 4.262 219 HE2 HIS 27 HE2 HIS 27 -11.660 11.896 4.329 220 HA PRO 28 HA PRO 28 -12.465 4.514 7.811 221 HB2 PRO 28 HB2 PRO 28 -14.773 2.913 8.638 222 HB3 PRO 28 HB3 PRO 28 -13.317 3.326 9.546 223 HG2 PRO 28 HG2 PRO 28 -15.726 4.363 10.157 224 HG3 PRO 28 HG3 PRO 28 -14.223 5.267 10.377 225 HD2 PRO 28 HD2 PRO 28 -16.242 5.446 8.171 226 HD3 PRO 28 HD3 PRO 28 -15.402 6.753 9.038 227 H ASN 29 H ASN 29 -15.617 4.378 6.274 228 HA ASN 29 HA ASN 29 -15.232 1.938 4.904 229 HB2 ASN 29 HB2 ASN 29 -17.081 2.898 3.372 230 HB3 ASN 29 HB3 ASN 29 -17.471 2.578 5.056 231 HD21 ASN 29 HD21 ASN 29 -19.217 4.029 4.883 232 HD22 ASN 29 HD22 ASN 29 -18.968 5.738 4.927 233 H ILE 30 H ILE 30 -14.795 5.309 3.896 234 HA ILE 30 HA ILE 30 -14.049 4.822 1.250 235 HB ILE 30 HB ILE 30 -13.144 7.085 3.040 236 HG12 ILE 30 HG12 ILE 30 -15.584 6.931 2.916 237 HG13 ILE 30 HG13 ILE 30 -15.008 8.343 2.039 238 HG21 ILE 30 HG21 ILE 30 -11.755 6.911 1.059 239 HG22 ILE 30 HG22 ILE 30 -12.797 8.333 0.963 240 HG23 ILE 30 HG23 ILE 30 -13.189 6.885 0.033 241 HD11 ILE 30 HD11 ILE 30 -15.849 5.726 0.809 242 HD12 ILE 30 HD12 ILE 30 -15.279 7.147 -0.069 243 HD13 ILE 30 HD13 ILE 30 -16.792 7.217 0.836 244 H VAL 31 H VAL 31 -12.001 5.159 4.149 245 HA VAL 31 HA VAL 31 -9.576 4.915 2.701 246 HB VAL 31 HB VAL 31 -9.641 6.013 4.891 247 HG11 VAL 31 HG11 VAL 31 -10.116 3.263 6.014 248 HG12 VAL 31 HG12 VAL 31 -11.260 4.605 6.015 249 HG13 VAL 31 HG13 VAL 31 -9.771 4.717 6.953 250 HG21 VAL 31 HG21 VAL 31 -7.520 5.157 4.078 251 HG22 VAL 31 HG22 VAL 31 -7.845 3.592 4.825 252 HG23 VAL 31 HG23 VAL 31 -7.610 5.020 5.834 253 H ARG 32 H ARG 32 -11.661 2.568 4.333 254 HA ARG 32 HA ARG 32 -9.889 0.374 4.171 255 HB2 ARG 32 HB2 ARG 32 -11.891 0.367 5.595 256 HB3 ARG 32 HB3 ARG 32 -12.911 0.372 4.166 257 HG2 ARG 32 HG2 ARG 32 -12.764 -1.850 5.144 258 HG3 ARG 32 HG3 ARG 32 -12.057 -1.820 3.527 259 HD2 ARG 32 HD2 ARG 32 -9.830 -1.757 4.450 260 HD3 ARG 32 HD3 ARG 32 -10.472 -1.606 6.083 261 HE ARG 32 HE ARG 32 -11.356 -3.973 4.707 262 HH11 ARG 32 HH11 ARG 32 -8.798 -2.595 6.667 263 HH12 ARG 32 HH12 ARG 32 -8.307 -4.120 7.323 264 HH21 ARG 32 HH21 ARG 32 -10.730 -5.968 5.572 265 HH22 ARG 32 HH22 ARG 32 -9.405 -6.058 6.695 266 H SER 33 H SER 33 -12.448 1.516 1.991 267 HA SER 33 HA SER 33 -12.175 -0.492 0.054 268 HB2 SER 33 HB2 SER 33 -13.055 2.387 -0.260 269 HB3 SER 33 HB3 SER 33 -13.294 1.121 -1.465 270 HG SER 33 HG SER 33 -14.425 -0.034 0.296 271 H ARG 34 H ARG 34 -10.584 2.665 0.381 272 HA ARG 34 HA ARG 34 -9.164 2.542 -2.047 273 HB2 ARG 34 HB2 ARG 34 -8.808 4.106 0.481 274 HB3 ARG 34 HB3 ARG 34 -7.596 4.190 -0.794 275 HG2 ARG 34 HG2 ARG 34 -10.518 4.879 -1.046 276 HG3 ARG 34 HG3 ARG 34 -9.156 6.007 -1.044 277 HD2 ARG 34 HD2 ARG 34 -8.296 4.984 -3.080 278 HD3 ARG 34 HD3 ARG 34 -9.621 3.828 -3.075 279 HE ARG 34 HE ARG 34 -10.940 6.157 -3.141 280 HH11 ARG 34 HH11 ARG 34 -8.220 4.944 -5.007 281 HH12 ARG 34 HH12 ARG 34 -8.638 5.861 -6.426 282 HH21 ARG 34 HH21 ARG 34 -11.492 7.341 -5.014 283 HH22 ARG 34 HH22 ARG 34 -10.517 7.198 -6.447 284 H ILE 35 H ILE 35 -8.288 1.509 1.225 285 HA ILE 35 HA ILE 35 -5.666 0.707 0.670 286 HB ILE 35 HB ILE 35 -7.645 -0.407 2.665 287 HG12 ILE 35 HG12 ILE 35 -5.259 1.427 3.001 288 HG13 ILE 35 HG13 ILE 35 -6.941 1.947 2.976 289 HG21 ILE 35 HG21 ILE 35 -5.962 -2.105 2.114 290 HG22 ILE 35 HG22 ILE 35 -5.768 -1.504 3.762 291 HG23 ILE 35 HG23 ILE 35 -4.683 -0.951 2.485 292 HD11 ILE 35 HD11 ILE 35 -5.680 0.129 5.018 293 HD12 ILE 35 HD12 ILE 35 -7.369 0.637 4.992 294 HD13 ILE 35 HD13 ILE 35 -6.093 1.829 5.243 295 H GLU 36 H GLU 36 -8.722 -1.101 0.381 296 HA GLU 36 HA GLU 36 -7.315 -3.486 -0.424 297 HB2 GLU 36 HB2 GLU 36 -10.271 -2.906 -0.319 298 HB3 GLU 36 HB3 GLU 36 -9.556 -4.483 -0.635 299 HG2 GLU 36 HG2 GLU 36 -8.353 -4.095 1.632 300 HG3 GLU 36 HG3 GLU 36 -9.628 -2.907 1.896 301 H LYS 37 H LYS 37 -8.185 -0.748 -2.079 302 HA LYS 37 HA LYS 37 -8.504 -2.249 -4.584 303 HB2 LYS 37 HB2 LYS 37 -10.394 -0.825 -4.193 304 HB3 LYS 37 HB3 LYS 37 -9.358 0.552 -3.852 305 HG2 LYS 37 HG2 LYS 37 -9.074 -0.691 -6.514 306 HG3 LYS 37 HG3 LYS 37 -10.572 0.183 -6.194 307 HD2 LYS 37 HD2 LYS 37 -9.468 2.200 -5.850 308 HD3 LYS 37 HD3 LYS 37 -7.925 1.410 -5.529 309 HE2 LYS 37 HE2 LYS 37 -7.726 0.789 -7.859 310 HE3 LYS 37 HE3 LYS 37 -9.309 1.485 -8.198 311 HZ1 LYS 37 HZ1 LYS 37 -8.506 3.644 -7.771 312 HZ2 LYS 37 HZ2 LYS 37 -7.344 2.913 -8.762 313 HZ3 LYS 37 HZ3 LYS 37 -7.054 3.071 -7.101 314 H ASP 38 H ASP 38 -6.877 0.645 -3.257 315 HA ASP 38 HA ASP 38 -5.137 0.754 -5.585 316 HB2 ASP 38 HB2 ASP 38 -5.462 2.550 -3.183 317 HB3 ASP 38 HB3 ASP 38 -4.167 2.774 -4.352 318 H ILE 39 H ILE 39 -4.895 0.055 -2.126 319 HA ILE 39 HA ILE 39 -2.022 -0.123 -2.229 320 HB ILE 39 HB ILE 39 -4.011 -0.650 -0.030 321 HG12 ILE 39 HG12 ILE 39 -2.626 1.169 1.078 322 HG13 ILE 39 HG13 ILE 39 -1.823 1.389 -0.470 323 HG21 ILE 39 HG21 ILE 39 -1.033 -1.100 0.096 324 HG22 ILE 39 HG22 ILE 39 -2.288 -2.329 0.240 325 HG23 ILE 39 HG23 ILE 39 -2.123 -1.090 1.483 326 HD11 ILE 39 HD11 ILE 39 -3.543 3.046 -0.166 327 HD12 ILE 39 HD12 ILE 39 -4.751 1.788 0.096 328 HD13 ILE 39 HD13 ILE 39 -3.985 1.960 -1.484 329 H LYS 40 H LYS 40 -4.677 -2.473 -1.824 330 HA LYS 40 HA LYS 40 -2.759 -4.572 -2.606 331 HB2 LYS 40 HB2 LYS 40 -4.442 -6.141 -1.423 332 HB3 LYS 40 HB3 LYS 40 -3.351 -5.180 -0.436 333 HG2 LYS 40 HG2 LYS 40 -5.044 -3.684 0.180 334 HG3 LYS 40 HG3 LYS 40 -6.121 -4.250 -1.093 335 HD2 LYS 40 HD2 LYS 40 -5.235 -5.968 1.220 336 HD3 LYS 40 HD3 LYS 40 -6.711 -5.003 1.229 337 HE2 LYS 40 HE2 LYS 40 -7.272 -6.223 -0.963 338 HE3 LYS 40 HE3 LYS 40 -6.017 -7.365 -0.484 339 HZ1 LYS 40 HZ1 LYS 40 -8.153 -8.150 0.242 340 HZ2 LYS 40 HZ2 LYS 40 -8.480 -6.696 1.049 341 HZ3 LYS 40 HZ3 LYS 40 -7.248 -7.716 1.609 342 HA PRO 41 HA PRO 41 -6.078 -4.517 -5.848 343 HB2 PRO 41 HB2 PRO 41 -4.026 -4.201 -7.844 344 HB3 PRO 41 HB3 PRO 41 -5.325 -3.084 -7.424 345 HG2 PRO 41 HG2 PRO 41 -2.664 -2.593 -6.966 346 HG3 PRO 41 HG3 PRO 41 -3.987 -1.853 -6.049 347 HD2 PRO 41 HD2 PRO 41 -2.236 -4.169 -5.320 348 HD3 PRO 41 HD3 PRO 41 -2.844 -2.847 -4.299 349 H ALA 42 H ALA 42 -2.776 -5.773 -6.380 350 HA ALA 42 HA ALA 42 -3.974 -8.379 -7.057 351 HB1 ALA 42 HB1 ALA 42 -2.187 -8.742 -8.677 352 HB2 ALA 42 HB2 ALA 42 -1.509 -7.158 -8.303 353 HB3 ALA 42 HB3 ALA 42 -3.092 -7.280 -9.070 354 H ILE 43 H ILE 43 -2.743 -7.063 -4.610 355 HA ILE 43 HA ILE 43 -1.017 -9.307 -3.880 356 HB ILE 43 HB ILE 43 0.436 -7.596 -2.611 357 HG12 ILE 43 HG12 ILE 43 -0.594 -5.791 -4.805 358 HG13 ILE 43 HG13 ILE 43 -1.111 -5.680 -3.128 359 HG21 ILE 43 HG21 ILE 43 1.924 -7.332 -4.538 360 HG22 ILE 43 HG22 ILE 43 0.609 -7.809 -5.613 361 HG23 ILE 43 HG23 ILE 43 1.256 -8.960 -4.444 362 HD11 ILE 43 HD11 ILE 43 0.576 -4.019 -3.632 363 HD12 ILE 43 HD12 ILE 43 1.690 -5.280 -4.160 364 HD13 ILE 43 HD13 ILE 43 1.199 -5.190 -2.468 365 H GLY 44 H GLY 44 -3.130 -9.812 -2.879 366 HA2 GLY 44 HA2 GLY 44 -3.549 -8.287 -0.379 367 HA3 GLY 44 HA3 GLY 44 -4.812 -9.172 -1.221 368 H SER 45 H SER 45 -3.402 -11.525 -1.779 369 HA SER 45 HA SER 45 -3.334 -12.714 0.890 370 HB2 SER 45 HB2 SER 45 -3.193 -14.139 -1.776 371 HB3 SER 45 HB3 SER 45 -3.656 -14.814 -0.211 372 HG SER 45 HG SER 45 -5.283 -12.808 -0.596 373 H LEU 46 H LEU 46 -1.203 -11.050 -0.453 374 HA LEU 46 HA LEU 46 1.021 -12.901 -0.743 375 HB2 LEU 46 HB2 LEU 46 0.682 -10.943 -2.264 376 HB3 LEU 46 HB3 LEU 46 0.969 -9.882 -0.900 377 HG LEU 46 HG LEU 46 3.244 -11.015 -0.701 378 HD11 LEU 46 HD11 LEU 46 2.776 -12.959 -2.076 379 HD12 LEU 46 HD12 LEU 46 4.104 -12.024 -2.761 380 HD13 LEU 46 HD13 LEU 46 2.494 -11.922 -3.473 381 HD21 LEU 46 HD21 LEU 46 2.958 -8.750 -1.532 382 HD22 LEU 46 HD22 LEU 46 2.622 -9.373 -3.147 383 HD23 LEU 46 HD23 LEU 46 4.220 -9.591 -2.431 384 H LYS 47 H LYS 47 2.503 -13.278 0.845 385 HA LYS 47 HA LYS 47 2.148 -12.183 3.440 386 HB2 LYS 47 HB2 LYS 47 4.365 -13.833 2.231 387 HB3 LYS 47 HB3 LYS 47 4.355 -13.325 3.915 388 HG2 LYS 47 HG2 LYS 47 2.200 -14.969 2.609 389 HG3 LYS 47 HG3 LYS 47 3.521 -15.619 3.589 390 HD2 LYS 47 HD2 LYS 47 2.714 -14.650 5.541 391 HD3 LYS 47 HD3 LYS 47 1.740 -13.467 4.666 392 HE2 LYS 47 HE2 LYS 47 0.303 -15.124 5.653 393 HE3 LYS 47 HE3 LYS 47 0.271 -15.274 3.903 394 HZ1 LYS 47 HZ1 LYS 47 1.881 -17.114 4.111 395 HZ2 LYS 47 HZ2 LYS 47 0.404 -17.439 4.876 396 HZ3 LYS 47 HZ3 LYS 47 1.759 -17.010 5.802 397 H VAL 48 H VAL 48 3.626 -10.886 4.613 398 HA VAL 48 HA VAL 48 4.247 -8.518 3.231 399 HB VAL 48 HB VAL 48 5.306 -9.311 5.946 400 HG11 VAL 48 HG11 VAL 48 6.324 -7.299 4.991 401 HG12 VAL 48 HG12 VAL 48 5.321 -6.917 6.390 402 HG13 VAL 48 HG13 VAL 48 4.721 -6.601 4.762 403 HG21 VAL 48 HG21 VAL 48 3.304 -8.240 6.870 404 HG22 VAL 48 HG22 VAL 48 2.902 -9.653 5.894 405 HG23 VAL 48 HG23 VAL 48 2.669 -8.032 5.238 406 H GLU 49 H GLU 49 6.162 -11.346 3.876 407 HA GLU 49 HA GLU 49 8.693 -10.013 3.475 408 HB2 GLU 49 HB2 GLU 49 8.327 -12.038 4.965 409 HB3 GLU 49 HB3 GLU 49 8.179 -12.991 3.494 410 HG2 GLU 49 HG2 GLU 49 10.478 -12.043 2.881 411 HG3 GLU 49 HG3 GLU 49 10.579 -11.562 4.574 412 H ASP 50 H ASP 50 6.272 -10.935 1.411 413 HA ASP 50 HA ASP 50 8.112 -11.853 -0.688 414 HB2 ASP 50 HB2 ASP 50 5.120 -12.118 -0.421 415 HB3 ASP 50 HB3 ASP 50 6.002 -12.551 -1.880 416 H VAL 51 H VAL 51 6.977 -8.988 0.279 417 HA VAL 51 HA VAL 51 5.979 -8.049 -2.260 418 HB VAL 51 HB VAL 51 4.974 -7.090 -0.297 419 HG11 VAL 51 HG11 VAL 51 6.792 -7.304 1.286 420 HG12 VAL 51 HG12 VAL 51 6.197 -5.644 1.251 421 HG13 VAL 51 HG13 VAL 51 7.704 -6.058 0.435 422 HG21 VAL 51 HG21 VAL 51 5.241 -4.700 -0.777 423 HG22 VAL 51 HG22 VAL 51 5.096 -5.663 -2.246 424 HG23 VAL 51 HG23 VAL 51 6.674 -5.064 -1.737 425 H LYS 52 H LYS 52 7.462 -8.065 -3.805 426 HA LYS 52 HA LYS 52 10.079 -6.879 -3.405 427 HB2 LYS 52 HB2 LYS 52 8.765 -8.130 -5.813 428 HB3 LYS 52 HB3 LYS 52 10.432 -7.579 -5.762 429 HG2 LYS 52 HG2 LYS 52 10.993 -9.237 -4.126 430 HG3 LYS 52 HG3 LYS 52 9.300 -9.707 -3.961 431 HD2 LYS 52 HD2 LYS 52 10.617 -11.266 -5.363 432 HD3 LYS 52 HD3 LYS 52 9.264 -10.532 -6.223 433 HE2 LYS 52 HE2 LYS 52 10.817 -8.881 -7.197 434 HE3 LYS 52 HE3 LYS 52 12.151 -9.696 -6.385 435 HZ1 LYS 52 HZ1 LYS 52 11.890 -10.359 -8.726 436 HZ2 LYS 52 HZ2 LYS 52 10.350 -10.973 -8.369 437 HZ3 LYS 52 HZ3 LYS 52 11.725 -11.673 -7.664 438 HA PRO 53 HA PRO 53 9.206 -2.809 -4.769 439 HB2 PRO 53 HB2 PRO 53 11.275 -2.422 -6.588 440 HB3 PRO 53 HB3 PRO 53 11.364 -2.169 -4.843 441 HG2 PRO 53 HG2 PRO 53 12.251 -4.503 -6.474 442 HG3 PRO 53 HG3 PRO 53 12.999 -3.786 -5.036 443 HD2 PRO 53 HD2 PRO 53 11.607 -6.074 -4.908 444 HD3 PRO 53 HD3 PRO 53 11.563 -4.884 -3.588 445 H ARG 54 H ARG 54 9.746 -5.191 -7.348 446 HA ARG 54 HA ARG 54 8.855 -3.629 -9.507 447 HB2 ARG 54 HB2 ARG 54 9.955 -5.876 -9.710 448 HB3 ARG 54 HB3 ARG 54 8.436 -6.607 -9.203 449 HG2 ARG 54 HG2 ARG 54 7.364 -5.417 -11.163 450 HG3 ARG 54 HG3 ARG 54 9.000 -5.058 -11.714 451 HD2 ARG 54 HD2 ARG 54 9.478 -7.501 -11.665 452 HD3 ARG 54 HD3 ARG 54 7.780 -7.780 -11.287 453 HE ARG 54 HE ARG 54 8.834 -6.710 -13.817 454 HH11 ARG 54 HH11 ARG 54 6.174 -8.017 -11.951 455 HH12 ARG 54 HH12 ARG 54 5.160 -8.271 -13.337 456 HH21 ARG 54 HH21 ARG 54 7.509 -7.055 -15.641 457 HH22 ARG 54 HH22 ARG 54 5.921 -7.723 -15.432 458 H HIS 55 H HIS 55 7.104 -5.456 -7.092 459 HA HIS 55 HA HIS 55 4.590 -5.588 -8.304 460 HB2 HIS 55 HB2 HIS 55 5.188 -5.280 -5.353 461 HB3 HIS 55 HB3 HIS 55 3.669 -5.836 -6.038 462 HD1 HIS 55 HD1 HIS 55 5.827 -7.560 -8.123 463 HD2 HIS 55 HD2 HIS 55 4.993 -7.882 -4.058 464 HE1 HIS 55 HE1 HIS 55 6.591 -9.861 -7.444 465 HE2 HIS 55 HE2 HIS 55 5.856 -10.119 -5.050 466 H ILE 56 H ILE 56 6.148 -3.031 -6.486 467 HA ILE 56 HA ILE 56 3.899 -1.360 -6.128 468 HB ILE 56 HB ILE 56 6.805 -0.536 -6.336 469 HG12 ILE 56 HG12 ILE 56 6.473 -2.285 -4.640 470 HG13 ILE 56 HG13 ILE 56 6.864 -0.739 -3.895 471 HG21 ILE 56 HG21 ILE 56 5.280 1.351 -6.512 472 HG22 ILE 56 HG22 ILE 56 6.131 1.382 -4.967 473 HG23 ILE 56 HG23 ILE 56 4.456 0.840 -5.038 474 HD11 ILE 56 HD11 ILE 56 4.127 -1.976 -4.093 475 HD12 ILE 56 HD12 ILE 56 4.493 -0.406 -3.379 476 HD13 ILE 56 HD13 ILE 56 5.134 -1.877 -2.649 477 H ASP 57 H ASP 57 6.197 -1.723 -8.775 478 HA ASP 57 HA ASP 57 5.410 0.609 -10.199 479 HB2 ASP 57 HB2 ASP 57 7.536 -0.477 -10.689 480 HB3 ASP 57 HB3 ASP 57 6.702 -1.945 -11.185 481 H ASP 58 H ASP 58 4.452 -2.790 -10.364 482 HA ASP 58 HA ASP 58 2.721 -2.546 -12.572 483 HB2 ASP 58 HB2 ASP 58 2.675 -4.541 -10.293 484 HB3 ASP 58 HB3 ASP 58 1.691 -4.673 -11.744 485 H VAL 59 H VAL 59 2.096 -2.327 -9.076 486 HA VAL 59 HA VAL 59 -0.706 -2.074 -9.399 487 HB VAL 59 HB VAL 59 -0.783 -1.317 -7.062 488 HG11 VAL 59 HG11 VAL 59 0.155 -3.338 -6.047 489 HG12 VAL 59 HG12 VAL 59 1.058 -3.656 -7.528 490 HG13 VAL 59 HG13 VAL 59 -0.705 -3.693 -7.547 491 HG21 VAL 59 HG21 VAL 59 1.236 0.044 -6.988 492 HG22 VAL 59 HG22 VAL 59 2.229 -1.402 -7.173 493 HG23 VAL 59 HG23 VAL 59 1.255 -1.182 -5.719 494 H LEU 60 H LEU 60 1.887 0.332 -9.085 495 HA LEU 60 HA LEU 60 0.203 2.575 -8.860 496 HB2 LEU 60 HB2 LEU 60 3.031 2.291 -9.857 497 HB3 LEU 60 HB3 LEU 60 2.228 3.842 -9.726 498 HG LEU 60 HG LEU 60 2.809 1.955 -7.443 499 HD11 LEU 60 HD11 LEU 60 4.802 3.049 -8.293 500 HD12 LEU 60 HD12 LEU 60 4.352 3.721 -6.727 501 HD13 LEU 60 HD13 LEU 60 4.001 4.617 -8.206 502 HD21 LEU 60 HD21 LEU 60 2.010 3.773 -6.015 503 HD22 LEU 60 HD22 LEU 60 0.734 3.185 -7.081 504 HD23 LEU 60 HD23 LEU 60 1.557 4.701 -7.446 505 H LYS 61 H LYS 61 1.731 1.129 -11.746 506 HA LYS 61 HA LYS 61 0.876 3.126 -13.519 507 HB2 LYS 61 HB2 LYS 61 1.333 1.512 -15.317 508 HB3 LYS 61 HB3 LYS 61 2.633 1.592 -14.147 509 HG2 LYS 61 HG2 LYS 61 1.708 -0.474 -13.106 510 HG3 LYS 61 HG3 LYS 61 0.577 -0.573 -14.459 511 HD2 LYS 61 HD2 LYS 61 2.389 -0.755 -16.033 512 HD3 LYS 61 HD3 LYS 61 3.576 -0.465 -14.761 513 HE2 LYS 61 HE2 LYS 61 2.584 -2.545 -13.642 514 HE3 LYS 61 HE3 LYS 61 1.852 -2.874 -15.210 515 HZ1 LYS 61 HZ1 LYS 61 3.867 -3.281 -16.173 516 HZ2 LYS 61 HZ2 LYS 61 4.172 -3.841 -14.597 517 HZ3 LYS 61 HZ3 LYS 61 4.728 -2.313 -15.082 518 H ALA 62 H ALA 62 -0.770 0.319 -12.254 519 HA ALA 62 HA ALA 62 -2.990 0.558 -14.081 520 HB1 ALA 62 HB1 ALA 62 -4.009 -1.215 -12.764 521 HB2 ALA 62 HB2 ALA 62 -2.752 -1.053 -11.538 522 HB3 ALA 62 HB3 ALA 62 -2.338 -1.622 -13.155 523 H VAL 63 H VAL 63 -2.414 1.328 -10.628 524 HA VAL 63 HA VAL 63 -5.072 2.204 -10.163 525 HB VAL 63 HB VAL 63 -4.254 3.210 -8.088 526 HG11 VAL 63 HG11 VAL 63 -4.750 0.848 -8.088 527 HG12 VAL 63 HG12 VAL 63 -3.362 1.166 -7.047 528 HG13 VAL 63 HG13 VAL 63 -3.121 0.477 -8.653 529 HG21 VAL 63 HG21 VAL 63 -1.506 2.468 -9.067 530 HG22 VAL 63 HG22 VAL 63 -1.900 3.079 -7.460 531 HG23 VAL 63 HG23 VAL 63 -2.137 4.104 -8.876 532 H MET 64 H MET 64 -2.333 3.760 -11.585 533 HA MET 64 HA MET 64 -3.306 6.432 -11.235 534 HB2 MET 64 HB2 MET 64 -1.214 5.244 -13.050 535 HB3 MET 64 HB3 MET 64 -1.622 6.954 -13.064 536 HG2 MET 64 HG2 MET 64 -0.959 7.154 -10.740 537 HG3 MET 64 HG3 MET 64 -0.606 5.427 -10.677 538 HE1 MET 64 HE1 MET 64 0.391 8.884 -12.254 539 HE2 MET 64 HE2 MET 64 0.123 7.879 -13.679 540 HE3 MET 64 HE3 MET 64 1.750 8.431 -13.283 541 H LYS 65 H LYS 65 -3.707 3.929 -13.668 542 HA LYS 65 HA LYS 65 -4.886 5.835 -15.512 543 HB2 LYS 65 HB2 LYS 65 -5.019 3.975 -17.096 544 HB3 LYS 65 HB3 LYS 65 -3.405 4.193 -16.461 545 HG2 LYS 65 HG2 LYS 65 -3.670 2.283 -15.014 546 HG3 LYS 65 HG3 LYS 65 -5.345 2.091 -15.544 547 HD2 LYS 65 HD2 LYS 65 -3.888 0.530 -16.712 548 HD3 LYS 65 HD3 LYS 65 -4.567 1.708 -17.838 549 HE2 LYS 65 HE2 LYS 65 -2.429 3.025 -17.535 550 HE3 LYS 65 HE3 LYS 65 -1.781 1.615 -16.698 551 HZ1 LYS 65 HZ1 LYS 65 -2.663 1.801 -19.523 552 HZ2 LYS 65 HZ2 LYS 65 -2.351 0.326 -18.748 553 HZ3 LYS 65 HZ3 LYS 65 -1.105 1.459 -18.939 554 H ARG 66 H ARG 66 -5.946 2.892 -13.797 555 HA ARG 66 HA ARG 66 -8.688 3.459 -14.590 556 HB2 ARG 66 HB2 ARG 66 -9.284 1.358 -13.507 557 HB3 ARG 66 HB3 ARG 66 -7.936 1.133 -14.605 558 HG2 ARG 66 HG2 ARG 66 -7.280 -0.129 -12.816 559 HG3 ARG 66 HG3 ARG 66 -6.496 1.407 -12.447 560 HD2 ARG 66 HD2 ARG 66 -7.513 0.585 -10.445 561 HD3 ARG 66 HD3 ARG 66 -8.440 1.977 -11.001 562 HE ARG 66 HE ARG 66 -9.343 -0.755 -11.627 563 HH11 ARG 66 HH11 ARG 66 -9.919 2.388 -10.193 564 HH12 ARG 66 HH12 ARG 66 -11.536 2.017 -9.689 565 HH21 ARG 66 HH21 ARG 66 -11.492 -1.248 -11.005 566 HH22 ARG 66 HH22 ARG 66 -12.438 -0.054 -10.173 567 H GLY 67 H GLY 67 -6.734 4.697 -12.353 568 HA2 GLY 67 HA2 GLY 67 -9.020 5.323 -10.596 569 HA3 GLY 67 HA3 GLY 67 -7.401 5.074 -9.951 570 H ALA 68 H ALA 68 -5.916 6.695 -10.049 571 HA ALA 68 HA ALA 68 -6.213 8.956 -11.776 572 HB1 ALA 68 HB1 ALA 68 -7.873 9.569 -10.086 573 HB2 ALA 68 HB2 ALA 68 -6.485 10.656 -10.033 574 HB3 ALA 68 HB3 ALA 68 -6.660 9.388 -8.820 575 HA PRO 69 HA PRO 69 -1.850 8.909 -10.997 576 HB2 PRO 69 HB2 PRO 69 -1.221 11.392 -11.933 577 HB3 PRO 69 HB3 PRO 69 -1.565 10.015 -12.985 578 HG2 PRO 69 HG2 PRO 69 -3.353 12.268 -12.161 579 HG3 PRO 69 HG3 PRO 69 -3.166 11.513 -13.754 580 HD2 PRO 69 HD2 PRO 69 -5.233 10.932 -12.109 581 HD3 PRO 69 HD3 PRO 69 -4.526 9.734 -13.214 582 H SER 70 H SER 70 -3.768 11.688 -9.980 583 HA SER 70 HA SER 70 -1.874 12.908 -8.325 584 HB2 SER 70 HB2 SER 70 -4.871 12.956 -7.953 585 HB3 SER 70 HB3 SER 70 -3.711 14.194 -7.471 586 HG SER 70 HG SER 70 -3.207 14.108 -9.911 587 H ILE 71 H ILE 71 -4.226 10.372 -7.686 588 HA ILE 71 HA ILE 71 -3.955 10.397 -4.859 589 HB ILE 71 HB ILE 71 -4.947 8.166 -6.648 590 HG12 ILE 71 HG12 ILE 71 -6.457 10.361 -5.208 591 HG13 ILE 71 HG13 ILE 71 -6.206 10.259 -6.946 592 HG21 ILE 71 HG21 ILE 71 -6.090 7.339 -4.656 593 HG22 ILE 71 HG22 ILE 71 -5.376 8.634 -3.698 594 HG23 ILE 71 HG23 ILE 71 -4.345 7.390 -4.406 595 HD11 ILE 71 HD11 ILE 71 -7.512 8.196 -7.008 596 HD12 ILE 71 HD12 ILE 71 -8.438 9.546 -6.350 597 HD13 ILE 71 HD13 ILE 71 -7.776 8.319 -5.269 598 H ALA 72 H ALA 72 -2.368 8.636 -7.457 599 HA ALA 72 HA ALA 72 -1.128 6.626 -5.983 600 HB1 ALA 72 HB1 ALA 72 0.424 6.419 -7.840 601 HB2 ALA 72 HB2 ALA 72 -0.070 7.998 -8.450 602 HB3 ALA 72 HB3 ALA 72 -1.221 6.662 -8.430 603 H ASN 73 H ASN 73 -0.049 9.938 -6.619 604 HA ASN 73 HA ASN 73 2.557 9.681 -5.592 605 HB2 ASN 73 HB2 ASN 73 0.768 12.111 -5.770 606 HB3 ASN 73 HB3 ASN 73 2.468 12.174 -5.308 607 HD21 ASN 73 HD21 ASN 73 0.213 11.727 -7.888 608 HD22 ASN 73 HD22 ASN 73 1.360 11.772 -9.170 609 H ASP 74 H ASP 74 -0.488 10.551 -4.033 610 HA ASP 74 HA ASP 74 0.736 10.979 -1.468 611 HB2 ASP 74 HB2 ASP 74 -1.443 12.028 -2.192 612 HB3 ASP 74 HB3 ASP 74 -2.190 10.444 -2.016 613 H THR 75 H THR 75 -0.766 8.304 -3.146 614 HA THR 75 HA THR 75 -1.008 6.501 -1.005 615 HB THR 75 HB THR 75 -0.460 5.860 -3.916 616 HG1 THR 75 HG1 THR 75 -2.353 7.141 -3.598 617 HG21 THR 75 HG21 THR 75 -1.720 4.185 -1.738 618 HG22 THR 75 HG22 THR 75 -0.120 3.930 -2.434 619 HG23 THR 75 HG23 THR 75 -1.560 3.725 -3.432 620 H LEU 76 H LEU 76 1.721 7.369 -3.047 621 HA LEU 76 HA LEU 76 3.541 5.394 -2.315 622 HB2 LEU 76 HB2 LEU 76 4.031 8.316 -2.898 623 HB3 LEU 76 HB3 LEU 76 5.294 7.107 -2.781 624 HG LEU 76 HG LEU 76 3.074 7.111 -4.828 625 HD11 LEU 76 HD11 LEU 76 4.847 7.666 -6.423 626 HD12 LEU 76 HD12 LEU 76 6.002 7.785 -5.094 627 HD13 LEU 76 HD13 LEU 76 4.660 8.922 -5.198 628 HD21 LEU 76 HD21 LEU 76 4.346 5.302 -5.871 629 HD22 LEU 76 HD22 LEU 76 3.822 4.864 -4.246 630 HD23 LEU 76 HD23 LEU 76 5.495 5.337 -4.532 631 H ARG 77 H ARG 77 2.606 8.364 -0.683 632 HA ARG 77 HA ARG 77 4.502 8.213 1.425 633 HB2 ARG 77 HB2 ARG 77 1.768 9.485 1.587 634 HB3 ARG 77 HB3 ARG 77 3.211 9.916 2.494 635 HG2 ARG 77 HG2 ARG 77 4.256 10.779 0.493 636 HG3 ARG 77 HG3 ARG 77 2.876 10.261 -0.479 637 HD2 ARG 77 HD2 ARG 77 1.435 11.734 0.929 638 HD3 ARG 77 HD3 ARG 77 2.899 12.347 1.692 639 HE ARG 77 HE ARG 77 2.773 12.547 -1.205 640 HH11 ARG 77 HH11 ARG 77 2.396 14.123 1.893 641 HH12 ARG 77 HH12 ARG 77 2.391 15.726 1.224 642 HH21 ARG 77 HH21 ARG 77 2.756 14.679 -2.099 643 HH22 ARG 77 HH22 ARG 77 2.601 16.039 -1.023 644 H TRP 78 H TRP 78 1.182 7.125 1.021 645 HA TRP 78 HA TRP 78 0.705 6.112 3.577 646 HB2 TRP 78 HB2 TRP 78 -0.934 6.438 1.656 647 HB3 TRP 78 HB3 TRP 78 -0.340 4.914 1.010 648 HD1 TRP 78 HD1 TRP 78 -1.284 2.702 2.070 649 HE1 TRP 78 HE1 TRP 78 -3.113 2.215 3.817 650 HE3 TRP 78 HE3 TRP 78 -1.952 7.433 3.894 651 HZ2 TRP 78 HZ2 TRP 78 -4.627 3.640 5.716 652 HZ3 TRP 78 HZ3 TRP 78 -3.612 7.783 5.678 653 HH2 TRP 78 HH2 TRP 78 -4.921 5.926 6.568 654 H LEU 79 H LEU 79 2.056 4.519 0.702 655 HA LEU 79 HA LEU 79 2.455 1.982 1.883 656 HB2 LEU 79 HB2 LEU 79 3.945 3.285 -0.404 657 HB3 LEU 79 HB3 LEU 79 3.987 1.578 -0.004 658 HG LEU 79 HG LEU 79 1.542 3.100 -0.914 659 HD11 LEU 79 HD11 LEU 79 1.770 1.796 -2.969 660 HD12 LEU 79 HD12 LEU 79 3.268 1.093 -2.358 661 HD13 LEU 79 HD13 LEU 79 3.179 2.821 -2.697 662 HD21 LEU 79 HD21 LEU 79 0.502 0.885 -1.056 663 HD22 LEU 79 HD22 LEU 79 0.984 1.272 0.595 664 HD23 LEU 79 HD23 LEU 79 1.957 0.162 -0.369 665 H LYS 80 H LYS 80 4.645 4.728 1.402 666 HA LYS 80 HA LYS 80 6.988 3.890 2.445 667 HB2 LYS 80 HB2 LYS 80 5.938 6.231 1.605 668 HB3 LYS 80 HB3 LYS 80 5.986 6.544 3.331 669 HG2 LYS 80 HG2 LYS 80 8.326 5.824 1.582 670 HG3 LYS 80 HG3 LYS 80 7.959 7.412 2.261 671 HD2 LYS 80 HD2 LYS 80 9.234 6.826 3.971 672 HD3 LYS 80 HD3 LYS 80 7.931 5.746 4.452 673 HE2 LYS 80 HE2 LYS 80 9.555 4.198 4.345 674 HE3 LYS 80 HE3 LYS 80 9.143 4.204 2.639 675 HZ1 LYS 80 HZ1 LYS 80 11.577 4.404 3.172 676 HZ2 LYS 80 HZ2 LYS 80 11.248 5.962 3.746 677 HZ3 LYS 80 HZ3 LYS 80 10.952 5.576 2.119 678 H ARG 81 H ARG 81 4.203 5.186 4.245 679 HA ARG 81 HA ARG 81 5.389 4.951 6.817 680 HB2 ARG 81 HB2 ARG 81 2.461 5.078 6.079 681 HB3 ARG 81 HB3 ARG 81 3.140 5.387 7.670 682 HG2 ARG 81 HG2 ARG 81 4.185 7.386 6.927 683 HG3 ARG 81 HG3 ARG 81 3.826 7.018 5.237 684 HD2 ARG 81 HD2 ARG 81 1.399 7.126 5.809 685 HD3 ARG 81 HD3 ARG 81 1.855 7.678 7.419 686 HE ARG 81 HE ARG 81 2.966 9.596 6.213 687 HH11 ARG 81 HH11 ARG 81 0.251 7.875 4.818 688 HH12 ARG 81 HH12 ARG 81 -0.340 9.244 3.923 689 HH21 ARG 81 HH21 ARG 81 2.190 11.415 5.046 690 HH22 ARG 81 HH22 ARG 81 0.771 11.257 4.052 691 H MET 82 H MET 82 3.082 2.929 5.025 692 HA MET 82 HA MET 82 2.510 1.145 7.111 693 HB2 MET 82 HB2 MET 82 1.131 1.369 5.083 694 HB3 MET 82 HB3 MET 82 2.414 0.632 4.136 695 HG2 MET 82 HG2 MET 82 2.175 -1.440 5.391 696 HG3 MET 82 HG3 MET 82 0.916 -0.705 6.380 697 HE1 MET 82 HE1 MET 82 1.931 -1.949 2.818 698 HE2 MET 82 HE2 MET 82 1.475 -0.280 2.476 699 HE3 MET 82 HE3 MET 82 0.484 -1.608 1.872 700 H PHE 83 H PHE 83 4.860 0.851 4.445 701 HA PHE 83 HA PHE 83 5.769 -1.712 5.291 702 HB2 PHE 83 HB2 PHE 83 6.984 0.322 3.419 703 HB3 PHE 83 HB3 PHE 83 7.694 -1.260 3.721 704 HD1 PHE 83 HD2 PHE 83 5.925 -3.254 3.463 705 HD2 PHE 83 HD1 PHE 83 5.680 0.537 1.550 706 HE1 PHE 83 HE2 PHE 83 4.498 -4.234 1.717 707 HE2 PHE 83 HE1 PHE 83 4.251 -0.435 -0.201 708 HZ PHE 83 HZ PHE 83 3.657 -2.824 -0.120 709 H ASN 84 H ASN 84 6.628 1.549 6.121 710 HA ASN 84 HA ASN 84 9.147 1.041 7.303 711 HB2 ASN 84 HB2 ASN 84 8.489 3.311 6.818 712 HB3 ASN 84 HB3 ASN 84 7.080 3.174 7.866 713 HD21 ASN 84 HD21 ASN 84 10.544 3.457 7.741 714 HD22 ASN 84 HD22 ASN 84 10.748 3.926 9.392 715 H TYR 85 H TYR 85 5.885 1.154 8.624 716 HA TYR 85 HA TYR 85 6.470 0.505 11.279 717 HB2 TYR 85 HB2 TYR 85 4.242 1.249 10.203 718 HB3 TYR 85 HB3 TYR 85 3.992 -0.457 9.853 719 HD1 TYR 85 HD2 TYR 85 4.490 1.984 12.586 720 HD2 TYR 85 HD1 TYR 85 3.190 -1.928 11.538 721 HE1 TYR 85 HE2 TYR 85 3.559 1.698 14.840 722 HE2 TYR 85 HE1 TYR 85 2.256 -2.225 13.793 723 HH TYR 85 HH TYR 85 1.889 0.367 15.992 724 H ALA 86 H ALA 86 6.114 -1.538 8.435 725 HA ALA 86 HA ALA 86 6.257 -4.010 9.868 726 HB1 ALA 86 HB1 ALA 86 6.618 -5.028 7.665 727 HB2 ALA 86 HB2 ALA 86 6.795 -3.423 6.956 728 HB3 ALA 86 HB3 ALA 86 5.252 -3.912 7.657 729 H ILE 87 H ILE 87 8.583 -1.728 8.662 730 HA ILE 87 HA ILE 87 10.838 -3.484 8.795 731 HB ILE 87 HB ILE 87 10.709 -0.462 8.764 732 HG12 ILE 87 HG12 ILE 87 11.344 -2.472 6.590 733 HG13 ILE 87 HG13 ILE 87 9.856 -1.541 6.726 734 HG21 ILE 87 HG21 ILE 87 13.096 -0.534 8.193 735 HG22 ILE 87 HG22 ILE 87 13.097 -2.281 8.439 736 HG23 ILE 87 HG23 ILE 87 12.784 -1.198 9.796 737 HD11 ILE 87 HD11 ILE 87 12.602 -0.396 6.275 738 HD12 ILE 87 HD12 ILE 87 11.097 0.518 6.376 739 HD13 ILE 87 HD13 ILE 87 11.355 -0.614 5.048 740 H LYS 88 H LYS 88 9.420 -1.070 10.994 741 HA LYS 88 HA LYS 88 11.448 -1.352 12.963 742 HB2 LYS 88 HB2 LYS 88 9.999 -0.101 14.445 743 HB3 LYS 88 HB3 LYS 88 10.008 0.636 12.851 744 HG2 LYS 88 HG2 LYS 88 7.845 -0.455 12.375 745 HG3 LYS 88 HG3 LYS 88 7.838 -1.089 14.022 746 HD2 LYS 88 HD2 LYS 88 6.488 0.913 13.919 747 HD3 LYS 88 HD3 LYS 88 7.934 1.229 14.878 748 HE2 LYS 88 HE2 LYS 88 8.983 2.258 12.901 749 HE3 LYS 88 HE3 LYS 88 7.498 1.995 11.992 750 HZ1 LYS 88 HZ1 LYS 88 6.333 3.425 13.566 751 HZ2 LYS 88 HZ2 LYS 88 7.615 4.255 12.829 752 HZ3 LYS 88 HZ3 LYS 88 7.769 3.688 14.424 753 H ARG 89 H ARG 89 8.729 -3.226 12.114 754 HA ARG 89 HA ARG 89 8.731 -4.757 14.586 755 HB2 ARG 89 HB2 ARG 89 6.979 -4.448 12.306 756 HB3 ARG 89 HB3 ARG 89 7.288 -6.149 12.625 757 HG2 ARG 89 HG2 ARG 89 6.547 -5.839 14.942 758 HG3 ARG 89 HG3 ARG 89 6.208 -4.140 14.592 759 HD2 ARG 89 HD2 ARG 89 4.520 -4.725 13.012 760 HD3 ARG 89 HD3 ARG 89 4.971 -6.427 13.074 761 HE ARG 89 HE ARG 89 4.206 -6.255 15.503 762 HH11 ARG 89 HH11 ARG 89 2.879 -4.290 12.942 763 HH12 ARG 89 HH12 ARG 89 1.289 -4.201 13.644 764 HH21 ARG 89 HH21 ARG 89 2.083 -6.212 16.405 765 HH22 ARG 89 HH22 ARG 89 0.826 -5.336 15.569 766 H HIS 90 H HIS 90 10.704 -4.564 12.019 767 HA HIS 90 HA HIS 90 12.145 -5.835 10.881 768 HB2 HIS 90 HB2 HIS 90 12.934 -6.130 13.258 769 HB3 HIS 90 HB3 HIS 90 12.077 -7.669 13.277 770 HD1 HIS 90 HD1 HIS 90 15.108 -5.997 11.839 771 HD2 HIS 90 HD2 HIS 90 13.233 -9.692 11.754 772 HE1 HIS 90 HE1 HIS 90 16.786 -7.579 10.829 773 HE2 HIS 90 HE2 HIS 90 15.550 -9.763 10.598 774 H ILE 91 H ILE 91 9.664 -6.237 9.987 775 HA ILE 91 HA ILE 91 9.487 -9.127 9.482 776 HB ILE 91 HB ILE 91 7.671 -6.921 8.467 777 HG12 ILE 91 HG12 ILE 91 7.227 -8.830 10.779 778 HG13 ILE 91 HG13 ILE 91 7.635 -7.125 10.947 779 HG21 ILE 91 HG21 ILE 91 6.131 -8.750 7.946 780 HG22 ILE 91 HG22 ILE 91 7.317 -9.918 8.525 781 HG23 ILE 91 HG23 ILE 91 7.663 -8.944 7.095 782 HD11 ILE 91 HD11 ILE 91 5.541 -6.523 9.838 783 HD12 ILE 91 HD12 ILE 91 5.265 -7.499 11.282 784 HD13 ILE 91 HD13 ILE 91 5.139 -8.233 9.682 785 H ILE 92 H ILE 92 9.905 -6.016 7.890 786 HA ILE 92 HA ILE 92 11.436 -7.371 5.788 787 HB ILE 92 HB ILE 92 10.722 -5.578 4.204 788 HG12 ILE 92 HG12 ILE 92 8.616 -5.021 6.308 789 HG13 ILE 92 HG13 ILE 92 9.950 -3.948 5.892 790 HG21 ILE 92 HG21 ILE 92 8.547 -7.371 5.274 791 HG22 ILE 92 HG22 ILE 92 9.766 -7.796 4.071 792 HG23 ILE 92 HG23 ILE 92 8.540 -6.585 3.693 793 HD11 ILE 92 HD11 ILE 92 7.710 -4.779 4.062 794 HD12 ILE 92 HD12 ILE 92 9.046 -3.710 3.637 795 HD13 ILE 92 HD13 ILE 92 7.881 -3.219 4.867 796 H GLU 93 H GLU 93 13.248 -6.225 5.036 797 HA GLU 93 HA GLU 93 13.963 -3.819 6.560 798 HB2 GLU 93 HB2 GLU 93 14.881 -5.961 7.584 799 HB3 GLU 93 HB3 GLU 93 15.854 -6.139 6.133 800 HG2 GLU 93 HG2 GLU 93 16.960 -4.013 6.615 801 HG3 GLU 93 HG3 GLU 93 15.985 -3.840 8.074 802 H TYR 94 H TYR 94 13.227 -4.716 3.691 803 HA TYR 94 HA TYR 94 15.645 -3.746 2.325 804 HB2 TYR 94 HB2 TYR 94 13.347 -5.312 1.134 805 HB3 TYR 94 HB3 TYR 94 14.875 -4.918 0.351 806 HD1 TYR 94 HD2 TYR 94 17.020 -5.856 1.450 807 HD2 TYR 94 HD1 TYR 94 13.117 -7.324 2.289 808 HE1 TYR 94 HE2 TYR 94 17.994 -7.946 2.305 809 HE2 TYR 94 HE1 TYR 94 14.081 -9.417 3.144 810 HH TYR 94 HH TYR 94 17.306 -9.765 3.930 811 H ASN 95 H ASN 95 12.655 -2.706 3.299 812 HA ASN 95 HA ASN 95 11.087 -1.237 2.636 813 HB2 ASN 95 HB2 ASN 95 13.256 0.079 3.189 814 HB3 ASN 95 HB3 ASN 95 13.331 0.361 1.448 815 HD21 ASN 95 HD21 ASN 95 11.549 1.401 0.451 816 HD22 ASN 95 HD22 ASN 95 10.546 2.451 1.361 817 HA PRO 96 HA PRO 96 11.060 -2.935 -1.696 818 HB2 PRO 96 HB2 PRO 96 8.186 -3.223 -1.043 819 HB3 PRO 96 HB3 PRO 96 9.315 -4.415 -1.705 820 HG2 PRO 96 HG2 PRO 96 8.484 -4.584 0.818 821 HG3 PRO 96 HG3 PRO 96 10.163 -4.960 0.386 822 HD2 PRO 96 HD2 PRO 96 9.037 -2.472 1.627 823 HD3 PRO 96 HD3 PRO 96 10.519 -3.363 2.037 824 H ALA 97 H ALA 97 9.191 -0.465 -0.127 825 HA ALA 97 HA ALA 97 7.909 0.483 -2.516 826 HB1 ALA 97 HB1 ALA 97 7.093 2.298 -1.131 827 HB2 ALA 97 HB2 ALA 97 8.205 1.840 0.160 828 HB3 ALA 97 HB3 ALA 97 6.891 0.756 -0.297 829 H ALA 98 H ALA 98 11.053 0.563 -1.605 830 HA ALA 98 HA ALA 98 11.766 3.283 -1.926 831 HB1 ALA 98 HB1 ALA 98 14.053 2.485 -2.100 832 HB2 ALA 98 HB2 ALA 98 13.473 0.832 -2.307 833 HB3 ALA 98 HB3 ALA 98 13.204 1.679 -0.782 834 H ALA 99 H ALA 99 10.859 0.916 -4.192 835 HA ALA 99 HA ALA 99 12.346 1.667 -6.445 836 HB1 ALA 99 HB1 ALA 99 10.988 -0.375 -6.329 837 HB2 ALA 99 HB2 ALA 99 10.602 0.590 -7.755 838 HB3 ALA 99 HB3 ALA 99 9.522 0.604 -6.360 839 H PHE 100 H PHE 100 9.512 3.052 -4.955 840 HA PHE 100 HA PHE 100 9.729 5.348 -6.766 841 HB2 PHE 100 HB2 PHE 100 7.193 3.896 -5.994 842 HB3 PHE 100 HB3 PHE 100 7.197 5.535 -6.643 843 HD1 PHE 100 HD2 PHE 100 7.971 5.947 -8.946 844 HD2 PHE 100 HD1 PHE 100 7.532 2.010 -7.395 845 HE1 PHE 100 HE2 PHE 100 8.023 5.043 -11.233 846 HE2 PHE 100 HE1 PHE 100 7.586 1.099 -9.678 847 HZ PHE 100 HZ PHE 100 7.830 2.617 -11.600 848 H ASP 101 H ASP 101 10.752 4.833 -4.142 849 HA ASP 101 HA ASP 101 9.211 5.943 -2.078 850 HB2 ASP 101 HB2 ASP 101 11.296 4.621 -1.754 851 HB3 ASP 101 HB3 ASP 101 12.225 5.981 -2.373 852 HA PRO 102 HA PRO 102 8.902 10.186 -3.238 853 HB2 PRO 102 HB2 PRO 102 8.881 10.689 -0.310 854 HB3 PRO 102 HB3 PRO 102 7.694 11.136 -1.540 855 HG2 PRO 102 HG2 PRO 102 7.204 9.154 0.168 856 HG3 PRO 102 HG3 PRO 102 6.698 9.041 -1.529 857 HD2 PRO 102 HD2 PRO 102 9.022 7.757 -0.153 858 HD3 PRO 102 HD3 PRO 102 7.938 7.092 -1.393 859 H GLY 103 H GLY 103 11.403 9.035 -1.099 860 HA2 GLY 103 HA2 GLY 103 13.654 9.823 -1.421 861 HA3 GLY 103 HA3 GLY 103 13.002 11.410 -1.805 862 H ASP 104 H ASP 104 12.854 12.884 -0.223 863 HA ASP 104 HA ASP 104 13.738 12.087 2.423 864 HB2 ASP 104 HB2 ASP 104 14.697 14.122 1.466 865 HB3 ASP 104 HB3 ASP 104 13.088 14.830 1.333 866 H ALA 105 H ALA 105 12.382 11.447 3.887 867 HA ALA 105 HA ALA 105 9.789 12.798 4.134 868 HB1 ALA 105 HB1 ALA 105 10.200 9.813 4.376 869 HB2 ALA 105 HB2 ALA 105 9.410 10.632 3.028 870 HB3 ALA 105 HB3 ALA 105 8.686 10.681 4.635 871 H GLY 106 H GLY 106 8.805 12.054 6.387 872 HA2 GLY 106 HA2 GLY 106 10.570 12.959 8.390 873 HA3 GLY 106 HA3 GLY 106 9.015 12.186 8.668 874 H GLY 107 H GLY 107 12.357 11.885 8.962 875 HA2 GLY 107 HA2 GLY 107 12.537 9.014 8.933 876 HA3 GLY 107 HA3 GLY 107 13.743 10.130 9.567 877 H LYS 108 H LYS 108 11.999 11.506 11.305 878 HA LYS 108 HA LYS 108 11.052 11.504 13.339 879 HB2 LYS 108 HB2 LYS 108 10.291 8.748 12.452 880 HB3 LYS 108 HB3 LYS 108 9.891 9.319 14.067 881 HG2 LYS 108 HG2 LYS 108 9.072 10.641 11.490 882 HG3 LYS 108 HG3 LYS 108 8.043 9.627 12.508 883 HD2 LYS 108 HD2 LYS 108 8.268 11.196 14.345 884 HD3 LYS 108 HD3 LYS 108 9.369 12.189 13.387 885 HE2 LYS 108 HE2 LYS 108 7.158 13.159 13.385 886 HE3 LYS 108 HE3 LYS 108 7.570 12.586 11.771 887 HZ1 LYS 108 HZ1 LYS 108 6.135 10.771 11.971 888 HZ2 LYS 108 HZ2 LYS 108 5.261 12.062 12.648 889 HZ3 LYS 108 HZ3 LYS 108 6.009 10.925 13.655 890 H LEU 109 H LEU 109 11.558 11.260 15.400 891 HA LEU 109 HA LEU 109 13.786 9.523 16.126 892 HB2 LEU 109 HB2 LEU 109 13.761 10.697 18.260 893 HB3 LEU 109 HB3 LEU 109 13.801 11.844 16.940 894 HG LEU 109 HG LEU 109 11.209 11.135 18.297 895 HD11 LEU 109 HD11 LEU 109 11.530 13.103 19.723 896 HD12 LEU 109 HD12 LEU 109 13.175 13.270 19.108 897 HD13 LEU 109 HD13 LEU 109 12.725 11.848 20.049 898 HD21 LEU 109 HD21 LEU 109 11.069 12.330 16.169 899 HD22 LEU 109 HD22 LEU 109 12.146 13.578 16.792 900 HD23 LEU 109 HD23 LEU 109 10.548 13.356 17.506 901 H GLU 110 H GLU 110 11.512 8.251 15.310 902 HA GLU 110 HA GLU 110 9.502 7.794 17.187 903 HB2 GLU 110 HB2 GLU 110 9.834 7.232 14.579 904 HB3 GLU 110 HB3 GLU 110 10.153 5.641 15.253 905 HG2 GLU 110 HG2 GLU 110 7.677 7.237 15.849 906 HG3 GLU 110 HG3 GLU 110 7.797 6.059 14.545 907 H HIS 111 H HIS 111 9.818 7.001 19.125 908 HA HIS 111 HA HIS 111 11.106 4.409 19.415 909 HB2 HIS 111 HB2 HIS 111 12.928 5.906 19.940 910 HB3 HIS 111 HB3 HIS 111 11.897 6.871 20.990 911 HD1 HIS 111 HD1 HIS 111 11.457 5.988 23.369 912 HD2 HIS 111 HD2 HIS 111 13.882 3.509 21.067 913 HE1 HIS 111 HE1 HIS 111 12.457 4.335 24.977 914 HE2 HIS 111 HE2 HIS 111 14.021 2.930 23.590 915 H HIS 112 H HIS 112 9.567 3.217 20.288 916 HA HIS 112 HA HIS 112 8.219 4.140 22.693 917 HB2 HIS 112 HB2 HIS 112 6.769 3.368 20.158 918 HB3 HIS 112 HB3 HIS 112 6.007 3.246 21.740 919 HD1 HIS 112 HD1 HIS 112 6.984 5.680 19.110 920 HD2 HIS 112 HD2 HIS 112 5.495 5.751 23.004 921 HE1 HIS 112 HE1 HIS 112 6.167 8.029 19.490 922 HE2 HIS 112 HE2 HIS 112 5.156 8.015 21.794 923 H HIS 113 H HIS 113 8.790 2.594 24.065 924 HA HIS 113 HA HIS 113 9.493 -0.031 23.138 925 HB2 HIS 113 HB2 HIS 113 10.538 1.302 25.087 926 HB3 HIS 113 HB3 HIS 113 9.166 0.728 26.029 927 HD1 HIS 113 HD1 HIS 113 12.103 -0.653 24.040 928 HD2 HIS 113 HD2 HIS 113 9.466 -1.779 27.058 929 HE1 HIS 113 HE1 HIS 113 12.933 -2.870 24.879 930 HE2 HIS 113 HE2 HIS 113 11.459 -3.421 26.842 931 H HIS 114 H HIS 114 6.627 1.451 24.248 932 HA HIS 114 HA HIS 114 5.334 -1.157 24.614 933 HB2 HIS 114 HB2 HIS 114 4.203 1.639 24.929 934 HB3 HIS 114 HB3 HIS 114 3.334 0.144 25.259 935 HD1 HIS 114 HD1 HIS 114 4.450 2.660 27.176 936 HD2 HIS 114 HD2 HIS 114 5.495 -1.368 27.158 937 HE1 HIS 114 HE1 HIS 114 5.383 2.187 29.467 938 HE2 HIS 114 HE2 HIS 114 5.906 -0.279 29.470 939 H HIS 115 H HIS 115 4.597 -2.116 22.857 940 HA HIS 115 HA HIS 115 4.712 -0.776 20.342 941 HB2 HIS 115 HB2 HIS 115 3.863 -3.572 21.088 942 HB3 HIS 115 HB3 HIS 115 3.986 -2.998 19.430 943 HD1 HIS 115 HD1 HIS 115 6.150 -3.665 22.465 944 HD2 HIS 115 HD2 HIS 115 6.505 -3.074 18.362 945 HE1 HIS 115 HE1 HIS 115 8.546 -4.188 21.909 946 HE2 HIS 115 HE2 HIS 115 8.667 -4.056 19.396 947 H HIS 116 H HIS 116 3.086 0.854 20.792 948 HA HIS 116 HA HIS 116 0.843 0.374 19.188 949 HB2 HIS 116 HB2 HIS 116 -1.002 0.684 20.764 950 HB3 HIS 116 HB3 HIS 116 -0.092 -0.766 21.160 951 HD1 HIS 116 HD1 HIS 116 0.775 -0.962 23.502 952 HD2 HIS 116 HD2 HIS 116 -0.544 2.882 22.606 953 HE1 HIS 116 HE1 HIS 116 0.798 0.292 25.684 954 HE2 HIS 116 HE2 HIS 116 -0.231 2.528 25.152 Start of MODEL 9 1 H1 MET 1 H1 MET 1 2.274 -9.002 15.269 2 H2 MET 1 H2 MET 1 3.913 -8.742 14.914 3 H3 MET 1 H3 MET 1 3.282 -8.235 16.400 4 HA MET 1 HA MET 1 4.567 -10.226 16.685 5 HB2 MET 1 HB2 MET 1 1.584 -10.651 16.946 6 HB3 MET 1 HB3 MET 1 2.802 -11.659 17.713 7 HG2 MET 1 HG2 MET 1 3.578 -9.783 19.020 8 HG3 MET 1 HG3 MET 1 2.447 -8.710 18.197 9 HE1 MET 1 HE1 MET 1 -1.005 -10.061 19.445 10 HE2 MET 1 HE2 MET 1 -0.149 -10.529 17.977 11 HE3 MET 1 HE3 MET 1 -0.184 -8.838 18.475 12 H ALA 2 H ALA 2 5.535 -11.707 15.470 13 HA ALA 2 HA ALA 2 3.903 -13.203 13.528 14 HB1 ALA 2 HB1 ALA 2 6.655 -12.080 13.036 15 HB2 ALA 2 HB2 ALA 2 5.149 -11.504 12.320 16 HB3 ALA 2 HB3 ALA 2 5.753 -13.114 11.929 17 H GLU 3 H GLU 3 3.801 -15.110 14.517 18 HA GLU 3 HA GLU 3 6.192 -16.722 14.415 19 HB2 GLU 3 HB2 GLU 3 6.197 -15.857 16.764 20 HB3 GLU 3 HB3 GLU 3 4.622 -16.603 17.003 21 HG2 GLU 3 HG2 GLU 3 5.667 -18.801 16.425 22 HG3 GLU 3 HG3 GLU 3 7.230 -17.991 16.430 23 H LYS 4 H LYS 4 2.801 -16.608 15.480 24 HA LYS 4 HA LYS 4 2.341 -19.284 14.414 25 HB2 LYS 4 HB2 LYS 4 0.451 -17.363 15.795 26 HB3 LYS 4 HB3 LYS 4 0.038 -18.993 15.293 27 HG2 LYS 4 HG2 LYS 4 0.446 -19.182 17.573 28 HG3 LYS 4 HG3 LYS 4 1.937 -19.757 16.829 29 HD2 LYS 4 HD2 LYS 4 2.378 -18.279 18.734 30 HD3 LYS 4 HD3 LYS 4 2.988 -17.598 17.227 31 HE2 LYS 4 HE2 LYS 4 1.927 -15.855 18.500 32 HE3 LYS 4 HE3 LYS 4 0.942 -16.207 17.082 33 HZ1 LYS 4 HZ1 LYS 4 -0.521 -16.002 18.893 34 HZ2 LYS 4 HZ2 LYS 4 0.424 -16.990 19.891 35 HZ3 LYS 4 HZ3 LYS 4 -0.418 -17.667 18.584 36 H ASN 5 H ASN 5 1.453 -15.935 13.866 37 HA ASN 5 HA ASN 5 0.341 -16.688 11.244 38 HB2 ASN 5 HB2 ASN 5 -1.419 -15.860 12.726 39 HB3 ASN 5 HB3 ASN 5 -0.477 -14.417 13.072 40 HD21 ASN 5 HD21 ASN 5 -2.139 -13.094 12.359 41 HD22 ASN 5 HD22 ASN 5 -2.513 -12.895 10.681 42 H ALA 6 H ALA 6 1.883 -16.233 9.806 43 HA ALA 6 HA ALA 6 3.807 -14.151 10.178 44 HB1 ALA 6 HB1 ALA 6 4.602 -14.759 7.957 45 HB2 ALA 6 HB2 ALA 6 3.171 -15.758 7.705 46 HB3 ALA 6 HB3 ALA 6 4.346 -16.196 8.946 47 H TYR 7 H TYR 7 3.984 -12.202 9.120 48 HA TYR 7 HA TYR 7 1.541 -10.868 8.603 49 HB2 TYR 7 HB2 TYR 7 4.425 -10.104 8.496 50 HB3 TYR 7 HB3 TYR 7 3.233 -9.045 7.753 51 HD1 TYR 7 HD2 TYR 7 4.160 -10.666 10.967 52 HD2 TYR 7 HD1 TYR 7 1.967 -7.568 9.045 53 HE1 TYR 7 HE2 TYR 7 3.715 -9.630 13.151 54 HE2 TYR 7 HE1 TYR 7 1.519 -6.522 11.223 55 HH TYR 7 HH TYR 7 1.521 -6.923 13.493 56 H THR 8 H THR 8 0.412 -11.416 6.862 57 HA THR 8 HA THR 8 1.571 -11.565 4.227 58 HB THR 8 HB THR 8 -1.344 -11.052 4.673 59 HG1 THR 8 HG1 THR 8 -0.483 -13.696 5.017 60 HG21 THR 8 HG21 THR 8 -1.575 -12.771 2.938 61 HG22 THR 8 HG22 THR 8 0.171 -13.015 2.950 62 HG23 THR 8 HG23 THR 8 -0.497 -11.475 2.416 63 H VAL 9 H VAL 9 1.141 -9.902 2.546 64 HA VAL 9 HA VAL 9 1.622 -7.301 3.516 65 HB VAL 9 HB VAL 9 2.299 -8.052 1.257 66 HG11 VAL 9 HG11 VAL 9 0.677 -7.985 -0.586 67 HG12 VAL 9 HG12 VAL 9 -0.624 -7.771 0.586 68 HG13 VAL 9 HG13 VAL 9 0.323 -9.259 0.581 69 HG21 VAL 9 HG21 VAL 9 2.287 -5.684 1.769 70 HG22 VAL 9 HG22 VAL 9 0.587 -5.567 1.311 71 HG23 VAL 9 HG23 VAL 9 1.805 -5.942 0.091 72 H ALA 10 H ALA 10 -1.339 -8.943 2.590 73 HA ALA 10 HA ALA 10 -3.075 -6.732 2.720 74 HB1 ALA 10 HB1 ALA 10 -4.859 -8.374 2.983 75 HB2 ALA 10 HB2 ALA 10 -3.666 -9.626 3.330 76 HB3 ALA 10 HB3 ALA 10 -3.719 -8.879 1.735 77 H GLN 11 H GLN 11 -1.985 -9.039 5.168 78 HA GLN 11 HA GLN 11 -3.637 -8.088 7.254 79 HB2 GLN 11 HB2 GLN 11 -1.142 -9.744 7.263 80 HB3 GLN 11 HB3 GLN 11 -2.022 -9.327 8.731 81 HG2 GLN 11 HG2 GLN 11 -4.066 -10.312 7.575 82 HG3 GLN 11 HG3 GLN 11 -2.923 -11.001 6.421 83 HE21 GLN 11 HE21 GLN 11 -1.496 -12.575 7.094 84 HE22 GLN 11 HE22 GLN 11 -1.704 -13.409 8.588 85 H LEU 12 H LEU 12 -0.318 -7.378 6.285 86 HA LEU 12 HA LEU 12 0.458 -5.774 8.430 87 HB2 LEU 12 HB2 LEU 12 1.998 -6.554 6.690 88 HB3 LEU 12 HB3 LEU 12 1.201 -5.532 5.511 89 HG LEU 12 HG LEU 12 1.931 -3.537 6.809 90 HD11 LEU 12 HD11 LEU 12 3.521 -5.561 8.379 91 HD12 LEU 12 HD12 LEU 12 2.176 -4.598 8.991 92 HD13 LEU 12 HD13 LEU 12 3.673 -3.808 8.498 93 HD21 LEU 12 HD21 LEU 12 4.145 -5.381 5.927 94 HD22 LEU 12 HD22 LEU 12 4.253 -3.629 6.090 95 HD23 LEU 12 HD23 LEU 12 3.192 -4.339 4.871 96 H ALA 13 H ALA 13 -1.202 -4.915 5.427 97 HA ALA 13 HA ALA 13 -1.356 -2.147 5.855 98 HB1 ALA 13 HB1 ALA 13 -3.094 -2.159 4.152 99 HB2 ALA 13 HB2 ALA 13 -3.261 -3.907 4.315 100 HB3 ALA 13 HB3 ALA 13 -1.765 -3.220 3.682 101 H ASP 14 H ASP 14 -3.576 -4.773 6.698 102 HA ASP 14 HA ASP 14 -5.605 -3.014 7.641 103 HB2 ASP 14 HB2 ASP 14 -5.226 -5.978 7.666 104 HB3 ASP 14 HB3 ASP 14 -6.471 -5.257 8.684 105 H GLU 15 H GLU 15 -2.875 -4.587 9.186 106 HA GLU 15 HA GLU 15 -3.810 -3.928 11.830 107 HB2 GLU 15 HB2 GLU 15 -2.184 -5.773 11.446 108 HB3 GLU 15 HB3 GLU 15 -0.986 -4.582 10.954 109 HG2 GLU 15 HG2 GLU 15 -1.032 -3.574 13.152 110 HG3 GLU 15 HG3 GLU 15 -2.307 -4.680 13.656 111 H TYR 16 H TYR 16 -1.602 -2.495 9.469 112 HA TYR 16 HA TYR 16 -0.636 -0.427 11.099 113 HB2 TYR 16 HB2 TYR 16 0.483 -0.961 9.023 114 HB3 TYR 16 HB3 TYR 16 -0.950 -0.534 8.092 115 HD1 TYR 16 HD2 TYR 16 1.609 0.894 10.376 116 HD2 TYR 16 HD1 TYR 16 -1.252 1.663 7.328 117 HE1 TYR 16 HE2 TYR 16 2.402 3.215 10.229 118 HE2 TYR 16 HE1 TYR 16 -0.470 3.988 7.173 119 HH TYR 16 HH TYR 16 0.681 5.634 8.613 120 H PHE 17 H PHE 17 -3.350 -0.394 8.759 121 HA PHE 17 HA PHE 17 -3.911 2.345 9.198 122 HB2 PHE 17 HB2 PHE 17 -5.562 2.139 7.643 123 HB3 PHE 17 HB3 PHE 17 -4.694 0.656 7.281 124 HD1 PHE 17 HD2 PHE 17 -5.627 -1.507 7.890 125 HD2 PHE 17 HD1 PHE 17 -7.738 2.101 8.682 126 HE1 PHE 17 HE2 PHE 17 -7.689 -2.796 8.246 127 HE2 PHE 17 HE1 PHE 17 -9.807 0.816 9.040 128 HZ PHE 17 HZ PHE 17 -9.782 -1.635 8.821 129 H GLU 18 H GLU 18 -5.021 -0.590 10.745 130 HA GLU 18 HA GLU 18 -7.251 0.432 12.104 131 HB2 GLU 18 HB2 GLU 18 -6.673 -1.969 11.871 132 HB3 GLU 18 HB3 GLU 18 -5.343 -1.740 12.995 133 HG2 GLU 18 HG2 GLU 18 -7.661 -0.755 14.247 134 HG3 GLU 18 HG3 GLU 18 -8.076 -2.311 13.534 135 H ARG 19 H ARG 19 -3.858 0.769 12.697 136 HA ARG 19 HA ARG 19 -4.233 1.684 15.421 137 HB2 ARG 19 HB2 ARG 19 -1.724 1.748 13.738 138 HB3 ARG 19 HB3 ARG 19 -1.830 1.902 15.487 139 HG2 ARG 19 HG2 ARG 19 -2.400 -0.541 13.833 140 HG3 ARG 19 HG3 ARG 19 -1.088 -0.300 14.988 141 HD2 ARG 19 HD2 ARG 19 -2.659 -0.187 16.807 142 HD3 ARG 19 HD3 ARG 19 -4.016 -0.285 15.691 143 HE ARG 19 HE ARG 19 -2.870 -2.555 15.108 144 HH11 ARG 19 HH11 ARG 19 -3.226 -1.118 18.276 145 HH12 ARG 19 HH12 ARG 19 -3.323 -2.646 19.104 146 HH21 ARG 19 HH21 ARG 19 -3.011 -4.572 16.188 147 HH22 ARG 19 HH22 ARG 19 -3.183 -4.600 17.914 148 H MET 20 H MET 20 -3.490 3.033 12.267 149 HA MET 20 HA MET 20 -3.102 5.699 13.317 150 HB2 MET 20 HB2 MET 20 -3.246 4.688 10.471 151 HB3 MET 20 HB3 MET 20 -2.845 6.338 10.927 152 HG2 MET 20 HG2 MET 20 -1.274 3.881 11.678 153 HG3 MET 20 HG3 MET 20 -0.860 5.021 10.399 154 HE1 MET 20 HE1 MET 20 1.109 4.141 12.790 155 HE2 MET 20 HE2 MET 20 1.836 5.694 13.202 156 HE3 MET 20 HE3 MET 20 1.585 5.262 11.510 157 H ILE 21 H ILE 21 -5.660 3.879 11.843 158 HA ILE 21 HA ILE 21 -7.388 6.196 11.500 159 HB ILE 21 HB ILE 21 -7.870 3.233 11.069 160 HG12 ILE 21 HG12 ILE 21 -6.264 4.181 9.507 161 HG13 ILE 21 HG13 ILE 21 -7.772 3.815 8.677 162 HG21 ILE 21 HG21 ILE 21 -9.906 3.833 9.887 163 HG22 ILE 21 HG22 ILE 21 -9.650 5.534 10.280 164 HG23 ILE 21 HG23 ILE 21 -9.981 4.371 11.565 165 HD11 ILE 21 HD11 ILE 21 -6.878 6.538 9.602 166 HD12 ILE 21 HD12 ILE 21 -8.390 6.173 8.771 167 HD13 ILE 21 HD13 ILE 21 -6.851 5.935 7.942 168 H ALA 22 H ALA 22 -6.332 4.522 14.062 169 HA ALA 22 HA ALA 22 -8.846 4.418 15.516 170 HB1 ALA 22 HB1 ALA 22 -7.551 3.496 17.345 171 HB2 ALA 22 HB2 ALA 22 -6.049 3.850 16.491 172 HB3 ALA 22 HB3 ALA 22 -7.167 2.645 15.848 173 H GLY 23 H GLY 23 -6.715 6.770 14.655 174 HA2 GLY 23 HA2 GLY 23 -6.949 8.258 17.185 175 HA3 GLY 23 HA3 GLY 23 -5.814 8.619 15.893 176 H ARG 24 H ARG 24 -6.447 9.891 14.178 177 HA ARG 24 HA ARG 24 -9.191 10.922 14.266 178 HB2 ARG 24 HB2 ARG 24 -7.739 12.676 15.001 179 HB3 ARG 24 HB3 ARG 24 -6.596 12.356 13.704 180 HG2 ARG 24 HG2 ARG 24 -9.018 12.891 12.430 181 HG3 ARG 24 HG3 ARG 24 -8.893 14.075 13.735 182 HD2 ARG 24 HD2 ARG 24 -6.635 13.498 11.842 183 HD3 ARG 24 HD3 ARG 24 -7.863 14.705 11.512 184 HE ARG 24 HE ARG 24 -6.841 15.223 14.056 185 HH11 ARG 24 HH11 ARG 24 -5.788 15.284 10.713 186 HH12 ARG 24 HH12 ARG 24 -4.551 16.473 10.988 187 HH21 ARG 24 HH21 ARG 24 -5.227 16.820 14.417 188 HH22 ARG 24 HH22 ARG 24 -4.231 17.344 13.097 189 H TRP 25 H TRP 25 -10.056 9.719 12.713 190 HA TRP 25 HA TRP 25 -8.687 9.551 10.129 191 HB2 TRP 25 HB2 TRP 25 -10.032 7.576 9.676 192 HB3 TRP 25 HB3 TRP 25 -9.190 7.396 11.209 193 HD1 TRP 25 HD1 TRP 25 -12.554 7.160 9.685 194 HE1 TRP 25 HE1 TRP 25 -14.345 6.779 11.495 195 HE3 TRP 25 HE3 TRP 25 -9.748 8.162 13.841 196 HZ2 TRP 25 HZ2 TRP 25 -14.544 6.887 14.298 197 HZ3 TRP 25 HZ3 TRP 25 -10.818 7.993 16.050 198 HH2 TRP 25 HH2 TRP 25 -13.164 7.373 16.267 199 H LYS 26 H LYS 26 -11.880 10.143 11.577 200 HA LYS 26 HA LYS 26 -13.532 11.593 11.008 201 HB2 LYS 26 HB2 LYS 26 -11.503 12.651 9.041 202 HB3 LYS 26 HB3 LYS 26 -13.047 13.413 9.384 203 HG2 LYS 26 HG2 LYS 26 -11.118 12.878 11.601 204 HG3 LYS 26 HG3 LYS 26 -10.890 14.268 10.544 205 HD2 LYS 26 HD2 LYS 26 -12.105 14.961 12.500 206 HD3 LYS 26 HD3 LYS 26 -13.190 15.015 11.111 207 HE2 LYS 26 HE2 LYS 26 -14.223 12.951 11.777 208 HE3 LYS 26 HE3 LYS 26 -13.047 12.731 13.071 209 HZ1 LYS 26 HZ1 LYS 26 -15.183 13.572 13.876 210 HZ2 LYS 26 HZ2 LYS 26 -15.012 14.962 12.922 211 HZ3 LYS 26 HZ3 LYS 26 -13.919 14.664 14.186 212 H HIS 27 H HIS 27 -12.377 9.322 8.813 213 HA HIS 27 HA HIS 27 -14.887 9.221 7.425 214 HB2 HIS 27 HB2 HIS 27 -13.738 9.305 5.121 215 HB3 HIS 27 HB3 HIS 27 -14.060 10.829 5.935 216 HD1 HIS 27 HD1 HIS 27 -11.169 8.449 5.298 217 HD2 HIS 27 HD2 HIS 27 -11.879 12.421 6.269 218 HE1 HIS 27 HE1 HIS 27 -8.930 9.582 5.170 219 HE2 HIS 27 HE2 HIS 27 -9.355 11.925 6.005 220 HA PRO 28 HA PRO 28 -12.907 5.179 8.174 221 HB2 PRO 28 HB2 PRO 28 -15.634 4.198 8.477 222 HB3 PRO 28 HB3 PRO 28 -14.334 4.257 9.668 223 HG2 PRO 28 HG2 PRO 28 -16.548 5.826 9.810 224 HG3 PRO 28 HG3 PRO 28 -14.971 6.312 10.452 225 HD2 PRO 28 HD2 PRO 28 -16.306 7.112 7.900 226 HD3 PRO 28 HD3 PRO 28 -15.347 8.093 9.030 227 H ASN 29 H ASN 29 -15.976 5.506 6.413 228 HA ASN 29 HA ASN 29 -15.775 3.172 4.905 229 HB2 ASN 29 HB2 ASN 29 -17.458 4.206 3.408 230 HB3 ASN 29 HB3 ASN 29 -17.880 4.362 5.108 231 HD21 ASN 29 HD21 ASN 29 -18.717 5.915 2.753 232 HD22 ASN 29 HD22 ASN 29 -18.328 7.567 3.126 233 H ILE 30 H ILE 30 -14.798 6.475 4.080 234 HA ILE 30 HA ILE 30 -14.076 6.002 1.425 235 HB ILE 30 HB ILE 30 -12.962 8.063 3.331 236 HG12 ILE 30 HG12 ILE 30 -15.225 8.201 1.324 237 HG13 ILE 30 HG13 ILE 30 -15.401 8.173 3.075 238 HG21 ILE 30 HG21 ILE 30 -12.886 7.982 0.315 239 HG22 ILE 30 HG22 ILE 30 -11.508 7.773 1.396 240 HG23 ILE 30 HG23 ILE 30 -12.344 9.324 1.324 241 HD11 ILE 30 HD11 ILE 30 -14.067 10.344 1.476 242 HD12 ILE 30 HD12 ILE 30 -14.262 10.320 3.228 243 HD13 ILE 30 HD13 ILE 30 -15.680 10.415 2.186 244 H VAL 31 H VAL 31 -12.119 5.758 4.389 245 HA VAL 31 HA VAL 31 -9.717 5.307 2.876 246 HB VAL 31 HB VAL 31 -9.639 6.421 5.084 247 HG11 VAL 31 HG11 VAL 31 -11.310 5.140 6.282 248 HG12 VAL 31 HG12 VAL 31 -9.767 5.085 7.135 249 HG13 VAL 31 HG13 VAL 31 -10.300 3.697 6.187 250 HG21 VAL 31 HG21 VAL 31 -8.050 3.866 4.882 251 HG22 VAL 31 HG22 VAL 31 -7.663 5.227 5.935 252 HG23 VAL 31 HG23 VAL 31 -7.624 5.429 4.184 253 H ARG 32 H ARG 32 -12.064 3.296 4.577 254 HA ARG 32 HA ARG 32 -10.598 0.886 4.530 255 HB2 ARG 32 HB2 ARG 32 -12.967 1.637 5.613 256 HB3 ARG 32 HB3 ARG 32 -13.544 0.722 4.229 257 HG2 ARG 32 HG2 ARG 32 -11.737 -0.291 6.417 258 HG3 ARG 32 HG3 ARG 32 -13.441 -0.679 6.197 259 HD2 ARG 32 HD2 ARG 32 -12.812 -1.659 3.962 260 HD3 ARG 32 HD3 ARG 32 -11.124 -1.462 4.434 261 HE ARG 32 HE ARG 32 -13.085 -3.255 5.709 262 HH11 ARG 32 HH11 ARG 32 -9.761 -2.249 5.226 263 HH12 ARG 32 HH12 ARG 32 -9.085 -3.628 6.046 264 HH21 ARG 32 HH21 ARG 32 -12.204 -5.080 6.757 265 HH22 ARG 32 HH22 ARG 32 -10.480 -5.235 6.916 266 H SER 33 H SER 33 -13.027 2.220 2.309 267 HA SER 33 HA SER 33 -13.087 0.102 0.493 268 HB2 SER 33 HB2 SER 33 -13.576 3.040 -0.043 269 HB3 SER 33 HB3 SER 33 -14.110 1.698 -1.059 270 HG SER 33 HG SER 33 -15.831 2.156 0.216 271 H ARG 34 H ARG 34 -10.797 2.725 0.836 272 HA ARG 34 HA ARG 34 -9.577 2.320 -1.721 273 HB2 ARG 34 HB2 ARG 34 -9.316 4.453 -0.552 274 HB3 ARG 34 HB3 ARG 34 -8.463 3.644 0.757 275 HG2 ARG 34 HG2 ARG 34 -6.750 2.927 -0.912 276 HG3 ARG 34 HG3 ARG 34 -7.559 3.953 -2.094 277 HD2 ARG 34 HD2 ARG 34 -7.161 5.899 -0.683 278 HD3 ARG 34 HD3 ARG 34 -6.370 4.872 0.516 279 HE ARG 34 HE ARG 34 -5.031 4.403 -1.848 280 HH11 ARG 34 HH11 ARG 34 -5.632 7.147 0.249 281 HH12 ARG 34 HH12 ARG 34 -4.202 8.007 -0.246 282 HH21 ARG 34 HH21 ARG 34 -3.188 5.531 -2.528 283 HH22 ARG 34 HH22 ARG 34 -2.826 7.081 -1.825 284 H ILE 35 H ILE 35 -8.901 1.253 1.578 285 HA ILE 35 HA ILE 35 -6.411 0.075 1.134 286 HB ILE 35 HB ILE 35 -8.534 -0.766 3.117 287 HG12 ILE 35 HG12 ILE 35 -6.196 1.107 3.517 288 HG13 ILE 35 HG13 ILE 35 -7.832 1.655 3.153 289 HG21 ILE 35 HG21 ILE 35 -6.775 -2.447 2.849 290 HG22 ILE 35 HG22 ILE 35 -6.691 -1.670 4.429 291 HG23 ILE 35 HG23 ILE 35 -5.550 -1.218 3.162 292 HD11 ILE 35 HD11 ILE 35 -7.364 1.788 5.526 293 HD12 ILE 35 HD12 ILE 35 -6.998 0.063 5.564 294 HD13 ILE 35 HD13 ILE 35 -8.635 0.610 5.200 295 H GLU 36 H GLU 36 -9.660 -1.226 0.751 296 HA GLU 36 HA GLU 36 -8.703 -3.884 0.161 297 HB2 GLU 36 HB2 GLU 36 -11.144 -4.322 -0.292 298 HB3 GLU 36 HB3 GLU 36 -10.780 -3.734 1.324 299 HG2 GLU 36 HG2 GLU 36 -11.384 -1.439 0.524 300 HG3 GLU 36 HG3 GLU 36 -11.953 -2.185 -0.966 301 H LYS 37 H LYS 37 -9.044 -1.051 -1.660 302 HA LYS 37 HA LYS 37 -9.459 -2.522 -4.145 303 HB2 LYS 37 HB2 LYS 37 -11.020 -0.714 -3.623 304 HB3 LYS 37 HB3 LYS 37 -9.682 0.415 -3.488 305 HG2 LYS 37 HG2 LYS 37 -10.654 0.777 -5.588 306 HG3 LYS 37 HG3 LYS 37 -9.153 -0.104 -5.882 307 HD2 LYS 37 HD2 LYS 37 -11.738 -1.565 -5.563 308 HD3 LYS 37 HD3 LYS 37 -11.304 -0.815 -7.078 309 HE2 LYS 37 HE2 LYS 37 -9.237 -2.127 -7.149 310 HE3 LYS 37 HE3 LYS 37 -9.691 -2.890 -5.623 311 HZ1 LYS 37 HZ1 LYS 37 -10.251 -4.310 -7.477 312 HZ2 LYS 37 HZ2 LYS 37 -11.177 -3.080 -8.188 313 HZ3 LYS 37 HZ3 LYS 37 -11.674 -3.774 -6.723 314 H ASP 38 H ASP 38 -7.618 0.261 -2.959 315 HA ASP 38 HA ASP 38 -5.809 0.134 -5.209 316 HB2 ASP 38 HB2 ASP 38 -6.289 2.330 -4.825 317 HB3 ASP 38 HB3 ASP 38 -6.510 2.096 -3.104 318 H ILE 39 H ILE 39 -5.617 -0.290 -1.697 319 HA ILE 39 HA ILE 39 -2.779 -0.703 -1.756 320 HB ILE 39 HB ILE 39 -4.735 -1.288 0.471 321 HG12 ILE 39 HG12 ILE 39 -2.961 1.104 -0.070 322 HG13 ILE 39 HG13 ILE 39 -4.717 1.075 -0.187 323 HG21 ILE 39 HG21 ILE 39 -2.755 -1.242 1.923 324 HG22 ILE 39 HG22 ILE 39 -1.725 -1.059 0.504 325 HG23 ILE 39 HG23 ILE 39 -2.658 -2.537 0.731 326 HD11 ILE 39 HD11 ILE 39 -4.832 0.615 2.231 327 HD12 ILE 39 HD12 ILE 39 -4.046 2.148 1.854 328 HD13 ILE 39 HD13 ILE 39 -3.074 0.748 2.312 329 H LYS 40 H LYS 40 -5.619 -2.825 -1.539 330 HA LYS 40 HA LYS 40 -3.821 -5.055 -2.237 331 HB2 LYS 40 HB2 LYS 40 -6.286 -5.075 -0.506 332 HB3 LYS 40 HB3 LYS 40 -5.719 -6.536 -1.299 333 HG2 LYS 40 HG2 LYS 40 -4.796 -6.674 0.819 334 HG3 LYS 40 HG3 LYS 40 -3.471 -6.041 -0.158 335 HD2 LYS 40 HD2 LYS 40 -3.464 -4.738 1.787 336 HD3 LYS 40 HD3 LYS 40 -4.259 -3.732 0.579 337 HE2 LYS 40 HE2 LYS 40 -5.474 -3.590 2.651 338 HE3 LYS 40 HE3 LYS 40 -6.446 -4.468 1.472 339 HZ1 LYS 40 HZ1 LYS 40 -6.072 -6.483 2.542 340 HZ2 LYS 40 HZ2 LYS 40 -6.283 -5.398 3.836 341 HZ3 LYS 40 HZ3 LYS 40 -4.732 -5.900 3.397 342 HA PRO 41 HA PRO 41 -6.675 -4.323 -5.803 343 HB2 PRO 41 HB2 PRO 41 -4.326 -5.060 -7.389 344 HB3 PRO 41 HB3 PRO 41 -5.306 -3.594 -7.459 345 HG2 PRO 41 HG2 PRO 41 -2.783 -3.599 -6.500 346 HG3 PRO 41 HG3 PRO 41 -4.035 -2.508 -5.878 347 HD2 PRO 41 HD2 PRO 41 -2.987 -5.056 -4.707 348 HD3 PRO 41 HD3 PRO 41 -3.413 -3.534 -3.896 349 H ALA 42 H ALA 42 -4.065 -6.757 -5.936 350 HA ALA 42 HA ALA 42 -5.907 -8.947 -5.842 351 HB1 ALA 42 HB1 ALA 42 -4.470 -8.457 -8.448 352 HB2 ALA 42 HB2 ALA 42 -6.197 -8.224 -8.178 353 HB3 ALA 42 HB3 ALA 42 -5.495 -9.838 -8.060 354 H ILE 43 H ILE 43 -3.352 -7.864 -4.674 355 HA ILE 43 HA ILE 43 -1.738 -10.300 -4.959 356 HB ILE 43 HB ILE 43 0.309 -8.778 -4.675 357 HG12 ILE 43 HG12 ILE 43 -1.593 -6.734 -5.829 358 HG13 ILE 43 HG13 ILE 43 -1.089 -6.748 -4.145 359 HG21 ILE 43 HG21 ILE 43 0.483 -8.403 -7.096 360 HG22 ILE 43 HG22 ILE 43 -1.241 -8.735 -7.262 361 HG23 ILE 43 HG23 ILE 43 -0.146 -10.006 -6.717 362 HD11 ILE 43 HD11 ILE 43 1.225 -6.406 -4.842 363 HD12 ILE 43 HD12 ILE 43 0.171 -5.132 -5.457 364 HD13 ILE 43 HD13 ILE 43 0.718 -6.421 -6.530 365 H GLY 44 H GLY 44 -3.660 -9.168 -2.926 366 HA2 GLY 44 HA2 GLY 44 -2.086 -8.343 -0.678 367 HA3 GLY 44 HA3 GLY 44 -3.788 -8.779 -0.656 368 H SER 45 H SER 45 -2.737 -11.373 -2.054 369 HA SER 45 HA SER 45 -2.623 -12.886 0.398 370 HB2 SER 45 HB2 SER 45 -2.383 -13.952 -2.414 371 HB3 SER 45 HB3 SER 45 -2.978 -14.790 -0.978 372 HG SER 45 HG SER 45 -4.768 -14.156 -2.126 373 H LEU 46 H LEU 46 -0.332 -11.242 -1.182 374 HA LEU 46 HA LEU 46 1.762 -13.260 -1.124 375 HB2 LEU 46 HB2 LEU 46 1.622 -10.402 -2.024 376 HB3 LEU 46 HB3 LEU 46 3.176 -11.163 -1.748 377 HG LEU 46 HG LEU 46 2.606 -12.883 -3.436 378 HD11 LEU 46 HD11 LEU 46 0.166 -12.778 -3.277 379 HD12 LEU 46 HD12 LEU 46 0.724 -12.540 -4.933 380 HD13 LEU 46 HD13 LEU 46 0.194 -11.158 -3.974 381 HD21 LEU 46 HD21 LEU 46 2.449 -10.026 -4.368 382 HD22 LEU 46 HD22 LEU 46 2.855 -11.414 -5.376 383 HD23 LEU 46 HD23 LEU 46 3.921 -10.945 -4.050 384 H LYS 47 H LYS 47 3.585 -13.144 0.214 385 HA LYS 47 HA LYS 47 3.153 -11.993 2.806 386 HB2 LYS 47 HB2 LYS 47 4.654 -14.086 1.861 387 HB3 LYS 47 HB3 LYS 47 5.884 -12.862 2.145 388 HG2 LYS 47 HG2 LYS 47 5.736 -14.150 4.117 389 HG3 LYS 47 HG3 LYS 47 4.945 -12.609 4.462 390 HD2 LYS 47 HD2 LYS 47 3.636 -14.473 5.345 391 HD3 LYS 47 HD3 LYS 47 2.759 -13.644 4.056 392 HE2 LYS 47 HE2 LYS 47 3.394 -15.362 2.474 393 HE3 LYS 47 HE3 LYS 47 4.379 -16.160 3.697 394 HZ1 LYS 47 HZ1 LYS 47 2.353 -16.562 4.984 395 HZ2 LYS 47 HZ2 LYS 47 2.276 -17.280 3.456 396 HZ3 LYS 47 HZ3 LYS 47 1.421 -15.848 3.757 397 H VAL 48 H VAL 48 4.920 -10.635 3.826 398 HA VAL 48 HA VAL 48 5.161 -8.211 2.398 399 HB VAL 48 HB VAL 48 6.782 -8.997 4.824 400 HG11 VAL 48 HG11 VAL 48 7.503 -6.939 3.726 401 HG12 VAL 48 HG12 VAL 48 6.780 -6.603 5.299 402 HG13 VAL 48 HG13 VAL 48 5.859 -6.305 3.825 403 HG21 VAL 48 HG21 VAL 48 4.439 -9.442 5.272 404 HG22 VAL 48 HG22 VAL 48 4.003 -7.832 4.700 405 HG23 VAL 48 HG23 VAL 48 4.968 -8.016 6.163 406 H GLU 49 H GLU 49 7.191 -10.998 2.606 407 HA GLU 49 HA GLU 49 9.576 -9.766 1.587 408 HB2 GLU 49 HB2 GLU 49 8.815 -12.688 1.517 409 HB3 GLU 49 HB3 GLU 49 10.433 -12.008 1.436 410 HG2 GLU 49 HG2 GLU 49 10.434 -11.441 3.703 411 HG3 GLU 49 HG3 GLU 49 8.682 -11.619 3.836 412 H ASP 50 H ASP 50 6.717 -11.216 0.262 413 HA ASP 50 HA ASP 50 7.924 -11.721 -2.322 414 HB2 ASP 50 HB2 ASP 50 5.148 -12.209 -1.248 415 HB3 ASP 50 HB3 ASP 50 5.618 -12.556 -2.908 416 H VAL 51 H VAL 51 6.048 -9.258 -0.799 417 HA VAL 51 HA VAL 51 5.149 -8.118 -3.280 418 HB VAL 51 HB VAL 51 3.790 -7.708 -1.330 419 HG11 VAL 51 HG11 VAL 51 5.498 -7.795 0.397 420 HG12 VAL 51 HG12 VAL 51 4.525 -6.331 0.542 421 HG13 VAL 51 HG13 VAL 51 6.145 -6.249 -0.151 422 HG21 VAL 51 HG21 VAL 51 5.118 -5.172 -2.272 423 HG22 VAL 51 HG22 VAL 51 3.555 -5.273 -1.460 424 HG23 VAL 51 HG23 VAL 51 3.772 -6.002 -3.053 425 H LYS 52 H LYS 52 7.136 -8.201 -4.309 426 HA LYS 52 HA LYS 52 9.462 -6.802 -3.602 427 HB2 LYS 52 HB2 LYS 52 8.550 -7.343 -6.424 428 HB3 LYS 52 HB3 LYS 52 10.193 -7.304 -5.806 429 HG2 LYS 52 HG2 LYS 52 9.866 -9.360 -4.623 430 HG3 LYS 52 HG3 LYS 52 8.154 -9.368 -5.014 431 HD2 LYS 52 HD2 LYS 52 8.674 -9.666 -7.367 432 HD3 LYS 52 HD3 LYS 52 10.402 -9.571 -7.016 433 HE2 LYS 52 HE2 LYS 52 10.275 -11.583 -5.678 434 HE3 LYS 52 HE3 LYS 52 8.529 -11.657 -5.900 435 HZ1 LYS 52 HZ1 LYS 52 10.535 -11.872 -8.083 436 HZ2 LYS 52 HZ2 LYS 52 8.855 -12.025 -8.245 437 HZ3 LYS 52 HZ3 LYS 52 9.726 -13.179 -7.368 438 HA PRO 53 HA PRO 53 8.724 -2.515 -4.731 439 HB2 PRO 53 HB2 PRO 53 11.162 -2.756 -6.427 440 HB3 PRO 53 HB3 PRO 53 10.777 -1.570 -5.173 441 HG2 PRO 53 HG2 PRO 53 12.527 -3.518 -4.703 442 HG3 PRO 53 HG3 PRO 53 11.382 -3.002 -3.451 443 HD2 PRO 53 HD2 PRO 53 11.326 -5.432 -5.188 444 HD3 PRO 53 HD3 PRO 53 10.861 -5.253 -3.484 445 H ARG 54 H ARG 54 9.545 -4.890 -7.162 446 HA ARG 54 HA ARG 54 8.658 -3.674 -9.486 447 HB2 ARG 54 HB2 ARG 54 9.782 -5.838 -9.456 448 HB3 ARG 54 HB3 ARG 54 8.417 -6.562 -8.622 449 HG2 ARG 54 HG2 ARG 54 7.014 -6.029 -10.616 450 HG3 ARG 54 HG3 ARG 54 8.492 -5.527 -11.443 451 HD2 ARG 54 HD2 ARG 54 9.444 -7.741 -11.112 452 HD3 ARG 54 HD3 ARG 54 7.996 -8.249 -10.250 453 HE ARG 54 HE ARG 54 8.175 -7.676 -13.135 454 HH11 ARG 54 HH11 ARG 54 6.447 -8.985 -10.394 455 HH12 ARG 54 HH12 ARG 54 5.293 -9.852 -11.353 456 HH21 ARG 54 HH21 ARG 54 6.697 -8.865 -14.418 457 HH22 ARG 54 HH22 ARG 54 5.455 -9.805 -13.645 458 H HIS 55 H HIS 55 6.833 -5.247 -6.915 459 HA HIS 55 HA HIS 55 4.335 -5.184 -8.315 460 HB2 HIS 55 HB2 HIS 55 4.856 -5.571 -5.362 461 HB3 HIS 55 HB3 HIS 55 3.320 -5.849 -6.177 462 HD1 HIS 55 HD1 HIS 55 5.057 -7.188 -8.685 463 HD2 HIS 55 HD2 HIS 55 4.839 -8.330 -4.687 464 HE1 HIS 55 HE1 HIS 55 5.893 -9.571 -8.590 465 HE2 HIS 55 HE2 HIS 55 5.569 -10.296 -6.207 466 H ILE 56 H ILE 56 5.967 -3.131 -5.994 467 HA ILE 56 HA ILE 56 3.924 -1.274 -5.527 468 HB ILE 56 HB ILE 56 6.877 -0.662 -5.797 469 HG12 ILE 56 HG12 ILE 56 6.566 -2.498 -4.225 470 HG13 ILE 56 HG13 ILE 56 6.982 -1.030 -3.350 471 HG21 ILE 56 HG21 ILE 56 5.476 1.326 -5.742 472 HG22 ILE 56 HG22 ILE 56 6.401 1.177 -4.248 473 HG23 ILE 56 HG23 ILE 56 4.690 0.749 -4.273 474 HD11 ILE 56 HD11 ILE 56 5.246 -2.279 -2.202 475 HD12 ILE 56 HD12 ILE 56 4.217 -2.188 -3.633 476 HD13 ILE 56 HD13 ILE 56 4.637 -0.717 -2.754 477 H ASP 57 H ASP 57 6.263 -1.613 -8.140 478 HA ASP 57 HA ASP 57 5.390 0.637 -9.649 479 HB2 ASP 57 HB2 ASP 57 7.588 -0.353 -10.015 480 HB3 ASP 57 HB3 ASP 57 6.855 -1.880 -10.486 481 H ASP 58 H ASP 58 4.566 -2.794 -9.618 482 HA ASP 58 HA ASP 58 2.892 -2.920 -11.843 483 HB2 ASP 58 HB2 ASP 58 2.746 -4.450 -9.233 484 HB3 ASP 58 HB3 ASP 58 1.728 -4.812 -10.619 485 H VAL 59 H VAL 59 2.039 -2.144 -8.467 486 HA VAL 59 HA VAL 59 -0.718 -1.834 -9.057 487 HB VAL 59 HB VAL 59 0.020 -2.310 -6.776 488 HG11 VAL 59 HG11 VAL 59 2.064 -1.010 -6.691 489 HG12 VAL 59 HG12 VAL 59 0.990 -0.556 -5.366 490 HG13 VAL 59 HG13 VAL 59 1.135 0.488 -6.780 491 HG21 VAL 59 HG21 VAL 59 -2.159 -1.296 -7.100 492 HG22 VAL 59 HG22 VAL 59 -1.442 0.314 -7.034 493 HG23 VAL 59 HG23 VAL 59 -1.429 -0.714 -5.602 494 H LEU 60 H LEU 60 1.988 0.446 -8.912 495 HA LEU 60 HA LEU 60 0.512 2.821 -9.105 496 HB2 LEU 60 HB2 LEU 60 3.289 2.139 -10.049 497 HB3 LEU 60 HB3 LEU 60 2.620 3.755 -10.139 498 HG LEU 60 HG LEU 60 3.074 2.181 -7.607 499 HD11 LEU 60 HD11 LEU 60 5.144 2.927 -8.642 500 HD12 LEU 60 HD12 LEU 60 4.812 3.854 -7.178 501 HD13 LEU 60 HD13 LEU 60 4.511 4.567 -8.762 502 HD21 LEU 60 HD21 LEU 60 2.085 5.001 -8.025 503 HD22 LEU 60 HD22 LEU 60 2.470 4.266 -6.470 504 HD23 LEU 60 HD23 LEU 60 1.131 3.642 -7.432 505 H LYS 61 H LYS 61 2.047 0.909 -11.685 506 HA LYS 61 HA LYS 61 1.302 2.585 -13.793 507 HB2 LYS 61 HB2 LYS 61 1.820 0.685 -15.256 508 HB3 LYS 61 HB3 LYS 61 3.035 0.873 -14.004 509 HG2 LYS 61 HG2 LYS 61 1.903 -0.941 -12.734 510 HG3 LYS 61 HG3 LYS 61 0.840 -1.179 -14.123 511 HD2 LYS 61 HD2 LYS 61 2.854 -1.586 -15.521 512 HD3 LYS 61 HD3 LYS 61 3.842 -1.481 -14.064 513 HE2 LYS 61 HE2 LYS 61 2.516 -3.350 -13.104 514 HE3 LYS 61 HE3 LYS 61 1.681 -3.496 -14.650 515 HZ1 LYS 61 HZ1 LYS 61 4.583 -3.891 -14.153 516 HZ2 LYS 61 HZ2 LYS 61 3.867 -3.899 -15.688 517 HZ3 LYS 61 HZ3 LYS 61 3.448 -5.083 -14.552 518 H ALA 62 H ALA 62 -0.458 0.022 -12.184 519 HA ALA 62 HA ALA 62 -2.562 -0.019 -14.167 520 HB1 ALA 62 HB1 ALA 62 -2.488 -1.335 -11.452 521 HB2 ALA 62 HB2 ALA 62 -1.899 -2.058 -12.948 522 HB3 ALA 62 HB3 ALA 62 -3.612 -1.684 -12.764 523 H VAL 63 H VAL 63 -2.112 1.365 -10.916 524 HA VAL 63 HA VAL 63 -4.896 2.090 -10.761 525 HB VAL 63 HB VAL 63 -3.482 1.551 -8.749 526 HG11 VAL 63 HG11 VAL 63 -2.413 4.328 -9.211 527 HG12 VAL 63 HG12 VAL 63 -1.495 2.820 -9.242 528 HG13 VAL 63 HG13 VAL 63 -2.208 3.389 -7.731 529 HG21 VAL 63 HG21 VAL 63 -4.575 3.230 -7.319 530 HG22 VAL 63 HG22 VAL 63 -5.668 2.539 -8.516 531 HG23 VAL 63 HG23 VAL 63 -5.001 4.152 -8.761 532 H MET 64 H MET 64 -1.963 3.632 -11.850 533 HA MET 64 HA MET 64 -2.899 6.298 -11.872 534 HB2 MET 64 HB2 MET 64 -0.842 4.893 -13.575 535 HB3 MET 64 HB3 MET 64 -1.194 6.607 -13.729 536 HG2 MET 64 HG2 MET 64 -0.560 6.926 -11.378 537 HG3 MET 64 HG3 MET 64 -0.150 5.215 -11.278 538 HE1 MET 64 HE1 MET 64 1.896 7.505 -10.474 539 HE2 MET 64 HE2 MET 64 3.374 6.912 -11.231 540 HE3 MET 64 HE3 MET 64 2.287 5.786 -10.418 541 H LYS 65 H LYS 65 -3.123 3.683 -14.238 542 HA LYS 65 HA LYS 65 -4.283 5.339 -16.253 543 HB2 LYS 65 HB2 LYS 65 -4.734 3.173 -17.419 544 HB3 LYS 65 HB3 LYS 65 -3.061 3.431 -16.981 545 HG2 LYS 65 HG2 LYS 65 -3.064 1.757 -15.433 546 HG3 LYS 65 HG3 LYS 65 -4.799 1.884 -15.140 547 HD2 LYS 65 HD2 LYS 65 -3.554 0.829 -17.677 548 HD3 LYS 65 HD3 LYS 65 -4.156 -0.177 -16.356 549 HE2 LYS 65 HE2 LYS 65 -6.394 0.743 -16.657 550 HE3 LYS 65 HE3 LYS 65 -5.804 1.792 -17.946 551 HZ1 LYS 65 HZ1 LYS 65 -6.896 -0.168 -18.827 552 HZ2 LYS 65 HZ2 LYS 65 -5.812 -1.178 -17.999 553 HZ3 LYS 65 HZ3 LYS 65 -5.253 -0.168 -19.240 554 H ARG 66 H ARG 66 -5.600 2.861 -14.078 555 HA ARG 66 HA ARG 66 -8.246 3.174 -15.130 556 HB2 ARG 66 HB2 ARG 66 -8.928 1.515 -13.532 557 HB3 ARG 66 HB3 ARG 66 -7.392 1.024 -14.232 558 HG2 ARG 66 HG2 ARG 66 -6.254 1.914 -12.215 559 HG3 ARG 66 HG3 ARG 66 -7.844 2.225 -11.511 560 HD2 ARG 66 HD2 ARG 66 -7.019 0.130 -10.682 561 HD3 ARG 66 HD3 ARG 66 -8.368 -0.188 -11.770 562 HE ARG 66 HE ARG 66 -5.753 -0.308 -13.001 563 HH11 ARG 66 HH11 ARG 66 -8.298 -2.078 -11.396 564 HH12 ARG 66 HH12 ARG 66 -7.790 -3.624 -11.995 565 HH21 ARG 66 HH21 ARG 66 -5.063 -2.359 -13.797 566 HH22 ARG 66 HH22 ARG 66 -5.941 -3.787 -13.346 567 H GLY 67 H GLY 67 -6.456 4.694 -12.615 568 HA2 GLY 67 HA2 GLY 67 -8.950 5.935 -11.636 569 HA3 GLY 67 HA3 GLY 67 -7.559 5.623 -10.607 570 H ALA 68 H ALA 68 -5.937 7.064 -10.506 571 HA ALA 68 HA ALA 68 -5.585 9.162 -12.433 572 HB1 ALA 68 HB1 ALA 68 -6.105 11.023 -10.940 573 HB2 ALA 68 HB2 ALA 68 -6.650 9.890 -9.702 574 HB3 ALA 68 HB3 ALA 68 -7.534 10.027 -11.222 575 HA PRO 69 HA PRO 69 -1.506 8.888 -10.725 576 HB2 PRO 69 HB2 PRO 69 -0.606 11.421 -11.288 577 HB3 PRO 69 HB3 PRO 69 -0.687 10.113 -12.473 578 HG2 PRO 69 HG2 PRO 69 -2.596 12.367 -12.005 579 HG3 PRO 69 HG3 PRO 69 -2.025 11.681 -13.538 580 HD2 PRO 69 HD2 PRO 69 -4.447 11.088 -12.526 581 HD3 PRO 69 HD3 PRO 69 -3.485 9.891 -13.423 582 H SER 70 H SER 70 -3.617 11.532 -9.844 583 HA SER 70 HA SER 70 -2.113 12.700 -7.792 584 HB2 SER 70 HB2 SER 70 -5.118 12.575 -7.727 585 HB3 SER 70 HB3 SER 70 -4.054 13.920 -7.309 586 HG SER 70 HG SER 70 -3.499 14.009 -9.587 587 H ILE 71 H ILE 71 -4.635 10.168 -7.620 588 HA ILE 71 HA ILE 71 -4.223 9.819 -4.805 589 HB ILE 71 HB ILE 71 -5.685 7.798 -5.058 590 HG12 ILE 71 HG12 ILE 71 -7.039 7.990 -7.337 591 HG13 ILE 71 HG13 ILE 71 -5.501 8.602 -7.932 592 HG21 ILE 71 HG21 ILE 71 -7.731 9.114 -5.477 593 HG22 ILE 71 HG22 ILE 71 -6.727 10.437 -6.072 594 HG23 ILE 71 HG23 ILE 71 -6.600 9.922 -4.391 595 HD11 ILE 71 HD11 ILE 71 -5.715 6.227 -8.349 596 HD12 ILE 71 HD12 ILE 71 -5.951 5.925 -6.627 597 HD13 ILE 71 HD13 ILE 71 -4.406 6.543 -7.211 598 H ALA 72 H ALA 72 -2.895 8.510 -7.703 599 HA ALA 72 HA ALA 72 -1.930 6.054 -6.721 600 HB1 ALA 72 HB1 ALA 72 -2.137 6.560 -9.108 601 HB2 ALA 72 HB2 ALA 72 -0.509 6.025 -8.692 602 HB3 ALA 72 HB3 ALA 72 -0.831 7.738 -8.966 603 H ASN 73 H ASN 73 -0.353 9.266 -6.975 604 HA ASN 73 HA ASN 73 2.113 8.328 -5.914 605 HB2 ASN 73 HB2 ASN 73 2.802 10.623 -5.747 606 HB3 ASN 73 HB3 ASN 73 1.895 10.446 -7.242 607 HD21 ASN 73 HD21 ASN 73 1.810 11.692 -3.975 608 HD22 ASN 73 HD22 ASN 73 0.511 12.802 -4.217 609 H ASP 74 H ASP 74 -0.873 9.346 -4.519 610 HA ASP 74 HA ASP 74 0.113 9.882 -1.906 611 HB2 ASP 74 HB2 ASP 74 -2.082 10.696 -2.794 612 HB3 ASP 74 HB3 ASP 74 -2.686 9.046 -2.681 613 H THR 75 H THR 75 -0.920 6.996 -3.602 614 HA THR 75 HA THR 75 -1.131 5.257 -1.417 615 HB THR 75 HB THR 75 -0.147 4.579 -4.200 616 HG1 THR 75 HG1 THR 75 -2.615 3.904 -4.098 617 HG21 THR 75 HG21 THR 75 -1.032 2.349 -3.720 618 HG22 THR 75 HG22 THR 75 -1.482 2.872 -2.097 619 HG23 THR 75 HG23 THR 75 0.219 2.792 -2.558 620 H LEU 76 H LEU 76 1.670 6.291 -3.316 621 HA LEU 76 HA LEU 76 3.566 4.516 -2.270 622 HB2 LEU 76 HB2 LEU 76 3.898 7.311 -3.346 623 HB3 LEU 76 HB3 LEU 76 5.235 6.238 -2.981 624 HG LEU 76 HG LEU 76 3.091 5.718 -5.036 625 HD11 LEU 76 HD11 LEU 76 4.607 7.511 -5.696 626 HD12 LEU 76 HD12 LEU 76 4.895 6.059 -6.655 627 HD13 LEU 76 HD13 LEU 76 5.993 6.480 -5.342 628 HD21 LEU 76 HD21 LEU 76 5.578 4.170 -4.323 629 HD22 LEU 76 HD22 LEU 76 4.500 3.817 -5.674 630 HD23 LEU 76 HD23 LEU 76 3.917 3.666 -4.016 631 H ARG 77 H ARG 77 2.685 7.790 -1.201 632 HA ARG 77 HA ARG 77 4.606 7.910 0.870 633 HB2 ARG 77 HB2 ARG 77 3.350 9.840 1.711 634 HB3 ARG 77 HB3 ARG 77 3.603 9.939 -0.025 635 HG2 ARG 77 HG2 ARG 77 1.277 8.991 -0.281 636 HG3 ARG 77 HG3 ARG 77 1.075 9.288 1.446 637 HD2 ARG 77 HD2 ARG 77 1.811 11.372 -0.604 638 HD3 ARG 77 HD3 ARG 77 0.192 11.112 0.038 639 HE ARG 77 HE ARG 77 2.485 11.989 1.674 640 HH11 ARG 77 HH11 ARG 77 -0.934 11.973 0.887 641 HH12 ARG 77 HH12 ARG 77 -1.338 13.190 2.067 642 HH21 ARG 77 HH21 ARG 77 1.951 13.566 3.254 643 HH22 ARG 77 HH22 ARG 77 0.297 14.079 3.419 644 H TRP 78 H TRP 78 1.353 6.636 0.728 645 HA TRP 78 HA TRP 78 1.126 6.211 3.550 646 HB2 TRP 78 HB2 TRP 78 -0.808 6.421 1.939 647 HB3 TRP 78 HB3 TRP 78 -0.403 4.814 1.349 648 HD1 TRP 78 HD1 TRP 78 -1.700 2.918 2.470 649 HE1 TRP 78 HE1 TRP 78 -3.003 2.622 4.670 650 HE3 TRP 78 HE3 TRP 78 -0.686 7.440 4.636 651 HZ2 TRP 78 HZ2 TRP 78 -3.522 4.097 7.013 652 HZ3 TRP 78 HZ3 TRP 78 -1.623 7.915 6.862 653 HH2 TRP 78 HH2 TRP 78 -3.012 6.276 8.023 654 H LEU 79 H LEU 79 2.145 4.269 0.776 655 HA LEU 79 HA LEU 79 2.376 1.808 2.154 656 HB2 LEU 79 HB2 LEU 79 3.730 2.769 -0.361 657 HB3 LEU 79 HB3 LEU 79 3.818 1.124 0.236 658 HG LEU 79 HG LEU 79 1.324 2.554 -0.660 659 HD11 LEU 79 HD11 LEU 79 2.885 0.291 -1.900 660 HD12 LEU 79 HD12 LEU 79 2.786 1.944 -2.506 661 HD13 LEU 79 HD13 LEU 79 1.347 0.922 -2.489 662 HD21 LEU 79 HD21 LEU 79 0.871 0.996 1.171 663 HD22 LEU 79 HD22 LEU 79 1.697 -0.287 0.286 664 HD23 LEU 79 HD23 LEU 79 0.206 0.405 -0.353 665 H LYS 80 H LYS 80 4.737 4.375 1.468 666 HA LYS 80 HA LYS 80 7.014 3.044 2.397 667 HB2 LYS 80 HB2 LYS 80 8.046 5.221 2.720 668 HB3 LYS 80 HB3 LYS 80 7.120 5.220 1.226 669 HG2 LYS 80 HG2 LYS 80 5.439 6.565 2.139 670 HG3 LYS 80 HG3 LYS 80 5.973 6.264 3.791 671 HD2 LYS 80 HD2 LYS 80 6.618 8.486 3.182 672 HD3 LYS 80 HD3 LYS 80 8.071 7.493 3.273 673 HE2 LYS 80 HE2 LYS 80 8.109 7.283 0.854 674 HE3 LYS 80 HE3 LYS 80 6.608 8.204 0.733 675 HZ1 LYS 80 HZ1 LYS 80 7.736 10.113 1.691 676 HZ2 LYS 80 HZ2 LYS 80 8.547 9.594 0.291 677 HZ3 LYS 80 HZ3 LYS 80 9.176 9.227 1.823 678 H ARG 81 H ARG 81 4.501 4.752 4.145 679 HA ARG 81 HA ARG 81 5.719 4.594 6.718 680 HB2 ARG 81 HB2 ARG 81 2.840 4.944 5.870 681 HB3 ARG 81 HB3 ARG 81 3.389 5.041 7.534 682 HG2 ARG 81 HG2 ARG 81 4.678 7.001 7.066 683 HG3 ARG 81 HG3 ARG 81 4.366 6.845 5.333 684 HD2 ARG 81 HD2 ARG 81 2.044 7.302 5.634 685 HD3 ARG 81 HD3 ARG 81 2.190 7.195 7.386 686 HE ARG 81 HE ARG 81 3.828 9.224 6.887 687 HH11 ARG 81 HH11 ARG 81 0.642 8.567 5.584 688 HH12 ARG 81 HH12 ARG 81 0.198 10.245 5.479 689 HH21 ARG 81 HH21 ARG 81 3.242 11.427 6.750 690 HH22 ARG 81 HH22 ARG 81 1.678 11.866 6.132 691 H MET 82 H MET 82 3.444 2.624 4.912 692 HA MET 82 HA MET 82 2.717 0.835 6.955 693 HB2 MET 82 HB2 MET 82 1.476 1.154 4.844 694 HB3 MET 82 HB3 MET 82 2.791 0.384 3.969 695 HG2 MET 82 HG2 MET 82 2.390 -1.686 5.219 696 HG3 MET 82 HG3 MET 82 1.046 -0.905 6.052 697 HE1 MET 82 HE1 MET 82 -1.093 0.086 4.728 698 HE2 MET 82 HE2 MET 82 -1.335 -0.123 2.993 699 HE3 MET 82 HE3 MET 82 -0.034 0.911 3.583 700 H PHE 83 H PHE 83 5.180 0.575 4.400 701 HA PHE 83 HA PHE 83 6.112 -1.969 5.278 702 HB2 PHE 83 HB2 PHE 83 7.265 0.120 3.442 703 HB3 PHE 83 HB3 PHE 83 8.153 -1.346 3.850 704 HD1 PHE 83 HD1 PHE 83 7.242 -3.554 3.213 705 HD2 PHE 83 HD2 PHE 83 5.456 0.078 1.903 706 HE1 PHE 83 HE1 PHE 83 6.024 -4.786 1.467 707 HE2 PHE 83 HE2 PHE 83 4.237 -1.147 0.151 708 HZ PHE 83 HZ PHE 83 4.519 -3.583 -0.066 709 H ASN 84 H ASN 84 7.007 1.346 6.054 710 HA ASN 84 HA ASN 84 9.344 0.808 7.511 711 HB2 ASN 84 HB2 ASN 84 8.883 3.077 7.031 712 HB3 ASN 84 HB3 ASN 84 7.264 2.980 7.717 713 HD21 ASN 84 HD21 ASN 84 10.686 3.060 8.457 714 HD22 ASN 84 HD22 ASN 84 10.501 3.612 10.088 715 H TYR 85 H TYR 85 5.967 0.812 8.416 716 HA TYR 85 HA TYR 85 6.110 0.274 11.127 717 HB2 TYR 85 HB2 TYR 85 4.043 0.813 9.944 718 HB3 TYR 85 HB3 TYR 85 4.117 -0.711 9.075 719 HD1 TYR 85 HD1 TYR 85 4.176 0.432 12.646 720 HD2 TYR 85 HD2 TYR 85 2.656 -2.319 9.780 721 HE1 TYR 85 HE1 TYR 85 2.778 -0.602 14.385 722 HE2 TYR 85 HE2 TYR 85 1.261 -3.363 11.512 723 HH TYR 85 HH TYR 85 1.021 -3.569 13.814 724 H ALA 86 H ALA 86 6.525 -1.889 8.389 725 HA ALA 86 HA ALA 86 6.448 -4.324 9.827 726 HB1 ALA 86 HB1 ALA 86 7.469 -5.320 7.854 727 HB2 ALA 86 HB2 ALA 86 7.837 -3.715 7.221 728 HB3 ALA 86 HB3 ALA 86 6.159 -4.228 7.402 729 H ILE 87 H ILE 87 9.083 -2.115 8.978 730 HA ILE 87 HA ILE 87 11.194 -3.744 9.955 731 HB ILE 87 HB ILE 87 10.993 -0.781 9.433 732 HG12 ILE 87 HG12 ILE 87 12.749 -1.308 7.741 733 HG13 ILE 87 HG13 ILE 87 12.608 -3.005 8.171 734 HG21 ILE 87 HG21 ILE 87 13.438 -2.219 10.456 735 HG22 ILE 87 HG22 ILE 87 12.464 -1.067 11.369 736 HG23 ILE 87 HG23 ILE 87 13.355 -0.533 9.944 737 HD11 ILE 87 HD11 ILE 87 10.437 -1.302 6.983 738 HD12 ILE 87 HD12 ILE 87 10.304 -3.012 7.395 739 HD13 ILE 87 HD13 ILE 87 11.415 -2.493 6.127 740 H LYS 88 H LYS 88 9.156 -1.284 11.425 741 HA LYS 88 HA LYS 88 10.384 -1.130 13.951 742 HB2 LYS 88 HB2 LYS 88 7.434 -0.920 13.360 743 HB3 LYS 88 HB3 LYS 88 8.294 -0.217 14.723 744 HG2 LYS 88 HG2 LYS 88 9.384 1.355 13.351 745 HG3 LYS 88 HG3 LYS 88 8.881 0.519 11.879 746 HD2 LYS 88 HD2 LYS 88 7.559 2.541 12.320 747 HD3 LYS 88 HD3 LYS 88 6.575 1.084 12.300 748 HE2 LYS 88 HE2 LYS 88 6.322 1.076 14.611 749 HE3 LYS 88 HE3 LYS 88 7.683 2.164 14.856 750 HZ1 LYS 88 HZ1 LYS 88 5.698 3.387 15.210 751 HZ2 LYS 88 HZ2 LYS 88 5.005 2.838 13.763 752 HZ3 LYS 88 HZ3 LYS 88 6.327 3.903 13.722 753 H ARG 89 H ARG 89 7.703 -3.083 12.783 754 HA ARG 89 HA ARG 89 7.421 -4.664 15.125 755 HB2 ARG 89 HB2 ARG 89 6.589 -5.178 12.269 756 HB3 ARG 89 HB3 ARG 89 6.156 -6.224 13.614 757 HG2 ARG 89 HG2 ARG 89 5.409 -3.320 13.351 758 HG3 ARG 89 HG3 ARG 89 4.354 -4.693 13.017 759 HD2 ARG 89 HD2 ARG 89 4.631 -5.432 15.357 760 HD3 ARG 89 HD3 ARG 89 5.595 -3.990 15.669 761 HE ARG 89 HE ARG 89 2.991 -3.433 14.583 762 HH11 ARG 89 HH11 ARG 89 4.808 -4.030 17.508 763 HH12 ARG 89 HH12 ARG 89 3.665 -3.222 18.541 764 HH21 ARG 89 HH21 ARG 89 1.489 -2.369 15.905 765 HH22 ARG 89 HH22 ARG 89 1.778 -2.245 17.617 766 H HIS 90 H HIS 90 9.866 -4.606 12.875 767 HA HIS 90 HA HIS 90 11.740 -5.831 12.567 768 HB2 HIS 90 HB2 HIS 90 11.502 -6.080 15.117 769 HB3 HIS 90 HB3 HIS 90 10.874 -7.690 14.777 770 HD1 HIS 90 HD1 HIS 90 12.656 -9.384 15.100 771 HD2 HIS 90 HD2 HIS 90 14.159 -5.837 13.531 772 HE1 HIS 90 HE1 HIS 90 15.127 -9.753 14.827 773 HE2 HIS 90 HE2 HIS 90 16.007 -7.628 13.800 774 H ILE 91 H ILE 91 9.164 -6.481 11.305 775 HA ILE 91 HA ILE 91 9.067 -9.299 10.838 776 HB ILE 91 HB ILE 91 8.079 -7.109 9.003 777 HG12 ILE 91 HG12 ILE 91 6.499 -8.463 11.193 778 HG13 ILE 91 HG13 ILE 91 7.296 -6.908 11.409 779 HG21 ILE 91 HG21 ILE 91 7.181 -9.966 9.381 780 HG22 ILE 91 HG22 ILE 91 8.114 -9.344 8.020 781 HG23 ILE 91 HG23 ILE 91 6.459 -8.794 8.277 782 HD11 ILE 91 HD11 ILE 91 5.143 -7.529 9.407 783 HD12 ILE 91 HD12 ILE 91 5.948 -5.971 9.605 784 HD13 ILE 91 HD13 ILE 91 4.950 -6.621 10.906 785 H ILE 92 H ILE 92 10.073 -6.576 8.820 786 HA ILE 92 HA ILE 92 12.332 -8.143 7.802 787 HB ILE 92 HB ILE 92 12.008 -7.278 5.540 788 HG12 ILE 92 HG12 ILE 92 9.391 -6.128 6.540 789 HG13 ILE 92 HG13 ILE 92 10.838 -5.182 6.205 790 HG21 ILE 92 HG21 ILE 92 10.022 -8.550 4.876 791 HG22 ILE 92 HG22 ILE 92 9.516 -8.635 6.563 792 HG23 ILE 92 HG23 ILE 92 11.001 -9.436 6.049 793 HD11 ILE 92 HD11 ILE 92 10.733 -5.867 3.861 794 HD12 ILE 92 HD12 ILE 92 9.266 -5.033 4.375 795 HD13 ILE 92 HD13 ILE 92 9.269 -6.789 4.205 796 H GLU 93 H GLU 93 13.843 -6.507 6.574 797 HA GLU 93 HA GLU 93 13.615 -3.836 7.765 798 HB2 GLU 93 HB2 GLU 93 16.066 -5.590 7.688 799 HB3 GLU 93 HB3 GLU 93 16.145 -3.853 7.967 800 HG2 GLU 93 HG2 GLU 93 14.754 -4.089 9.948 801 HG3 GLU 93 HG3 GLU 93 14.616 -5.821 9.660 802 H TYR 94 H TYR 94 12.875 -4.873 5.211 803 HA TYR 94 HA TYR 94 14.590 -3.230 3.471 804 HB2 TYR 94 HB2 TYR 94 14.649 -5.678 2.942 805 HB3 TYR 94 HB3 TYR 94 12.912 -5.631 2.677 806 HD1 TYR 94 HD1 TYR 94 16.188 -4.706 1.332 807 HD2 TYR 94 HD2 TYR 94 11.991 -4.597 0.674 808 HE1 TYR 94 HE1 TYR 94 16.577 -4.143 -1.032 809 HE2 TYR 94 HE2 TYR 94 12.366 -4.036 -1.687 810 HH TYR 94 HH TYR 94 15.227 -4.436 -3.249 811 H ASN 95 H ASN 95 13.522 -1.680 2.238 812 HA ASN 95 HA ASN 95 10.610 -1.507 2.702 813 HB2 ASN 95 HB2 ASN 95 12.652 0.714 2.585 814 HB3 ASN 95 HB3 ASN 95 10.917 0.995 2.503 815 HD21 ASN 95 HD21 ASN 95 9.671 0.705 4.340 816 HD22 ASN 95 HD22 ASN 95 10.360 0.556 5.915 817 HA PRO 96 HA PRO 96 11.156 -2.105 -1.836 818 HB2 PRO 96 HB2 PRO 96 8.267 -2.719 -1.523 819 HB3 PRO 96 HB3 PRO 96 9.525 -3.637 -2.364 820 HG2 PRO 96 HG2 PRO 96 8.558 -4.459 -0.021 821 HG3 PRO 96 HG3 PRO 96 10.280 -4.628 -0.410 822 HD2 PRO 96 HD2 PRO 96 8.919 -2.628 1.349 823 HD3 PRO 96 HD3 PRO 96 10.475 -3.451 1.576 824 H ALA 97 H ALA 97 8.506 -0.454 -0.150 825 HA ALA 97 HA ALA 97 7.796 1.052 -2.514 826 HB1 ALA 97 HB1 ALA 97 6.072 0.244 -0.963 827 HB2 ALA 97 HB2 ALA 97 6.022 1.995 -1.175 828 HB3 ALA 97 HB3 ALA 97 6.722 1.301 0.289 829 H ALA 98 H ALA 98 10.116 1.413 -0.117 830 HA ALA 98 HA ALA 98 9.957 4.274 0.168 831 HB1 ALA 98 HB1 ALA 98 12.054 4.099 1.384 832 HB2 ALA 98 HB2 ALA 98 12.224 2.418 0.882 833 HB3 ALA 98 HB3 ALA 98 10.906 2.887 1.954 834 H ALA 99 H ALA 99 11.188 2.130 -2.153 835 HA ALA 99 HA ALA 99 13.217 3.887 -3.200 836 HB1 ALA 99 HB1 ALA 99 11.958 1.432 -4.422 837 HB2 ALA 99 HB2 ALA 99 13.423 1.460 -3.441 838 HB3 ALA 99 HB3 ALA 99 13.396 2.263 -5.013 839 H PHE 100 H PHE 100 9.896 3.863 -3.249 840 HA PHE 100 HA PHE 100 9.832 5.462 -5.719 841 HB2 PHE 100 HB2 PHE 100 7.613 3.786 -4.515 842 HB3 PHE 100 HB3 PHE 100 7.440 4.833 -5.917 843 HD1 PHE 100 HD1 PHE 100 8.980 1.738 -4.654 844 HD2 PHE 100 HD2 PHE 100 8.173 4.150 -8.064 845 HE1 PHE 100 HE1 PHE 100 9.635 -0.123 -6.124 846 HE2 PHE 100 HE2 PHE 100 8.830 2.297 -9.537 847 HZ PHE 100 HZ PHE 100 9.562 0.152 -8.568 848 H ASP 101 H ASP 101 10.253 7.402 -4.662 849 HA ASP 101 HA ASP 101 8.440 8.180 -2.496 850 HB2 ASP 101 HB2 ASP 101 10.797 8.571 -2.046 851 HB3 ASP 101 HB3 ASP 101 10.953 9.508 -3.531 852 HA PRO 102 HA PRO 102 6.162 10.469 -5.572 853 HB2 PRO 102 HB2 PRO 102 4.075 11.086 -4.023 854 HB3 PRO 102 HB3 PRO 102 4.337 9.430 -4.588 855 HG2 PRO 102 HG2 PRO 102 5.000 10.651 -1.930 856 HG3 PRO 102 HG3 PRO 102 4.231 9.091 -2.282 857 HD2 PRO 102 HD2 PRO 102 6.886 9.349 -1.706 858 HD3 PRO 102 HD3 PRO 102 6.231 8.067 -2.740 859 H GLY 103 H GLY 103 6.054 12.560 -6.092 860 HA2 GLY 103 HA2 GLY 103 6.848 14.538 -4.069 861 HA3 GLY 103 HA3 GLY 103 7.007 14.747 -5.809 862 H ASP 104 H ASP 104 5.704 16.519 -3.938 863 HA ASP 104 HA ASP 104 2.886 16.242 -4.141 864 HB2 ASP 104 HB2 ASP 104 4.689 18.531 -3.420 865 HB3 ASP 104 HB3 ASP 104 2.963 18.792 -3.638 866 H ALA 105 H ALA 105 2.285 15.882 -6.244 867 HA ALA 105 HA ALA 105 2.845 17.996 -8.196 868 HB1 ALA 105 HB1 ALA 105 3.236 15.703 -8.938 869 HB2 ALA 105 HB2 ALA 105 1.924 16.441 -9.855 870 HB3 ALA 105 HB3 ALA 105 1.560 15.287 -8.573 871 H GLY 106 H GLY 106 0.168 16.229 -6.701 872 HA2 GLY 106 HA2 GLY 106 -1.974 16.889 -6.207 873 HA3 GLY 106 HA3 GLY 106 -1.506 18.531 -6.620 874 H GLY 107 H GLY 107 -1.335 18.996 -8.961 875 HA2 GLY 107 HA2 GLY 107 -2.073 18.207 -11.212 876 HA3 GLY 107 HA3 GLY 107 -3.527 17.636 -10.399 877 H LYS 108 H LYS 108 -3.566 19.936 -8.610 878 HA LYS 108 HA LYS 108 -3.780 22.336 -10.118 879 HB2 LYS 108 HB2 LYS 108 -6.225 22.594 -10.013 880 HB3 LYS 108 HB3 LYS 108 -5.779 21.205 -11.001 881 HG2 LYS 108 HG2 LYS 108 -6.283 19.712 -9.150 882 HG3 LYS 108 HG3 LYS 108 -6.694 21.094 -8.135 883 HD2 LYS 108 HD2 LYS 108 -8.516 21.672 -9.660 884 HD3 LYS 108 HD3 LYS 108 -8.103 20.286 -10.675 885 HE2 LYS 108 HE2 LYS 108 -8.507 18.807 -8.740 886 HE3 LYS 108 HE3 LYS 108 -9.018 20.208 -7.807 887 HZ1 LYS 108 HZ1 LYS 108 -10.870 18.919 -8.779 888 HZ2 LYS 108 HZ2 LYS 108 -10.315 19.334 -10.331 889 HZ3 LYS 108 HZ3 LYS 108 -10.853 20.542 -9.265 890 H LEU 109 H LEU 109 -5.692 23.630 -8.607 891 HA LEU 109 HA LEU 109 -5.354 23.123 -5.817 892 HB2 LEU 109 HB2 LEU 109 -4.320 25.333 -5.306 893 HB3 LEU 109 HB3 LEU 109 -3.243 24.217 -6.118 894 HG LEU 109 HG LEU 109 -4.034 25.529 -8.275 895 HD11 LEU 109 HD11 LEU 109 -5.678 26.925 -7.123 896 HD12 LEU 109 HD12 LEU 109 -4.391 27.899 -7.834 897 HD13 LEU 109 HD13 LEU 109 -4.402 27.585 -6.099 898 HD21 LEU 109 HD21 LEU 109 -2.098 27.003 -8.005 899 HD22 LEU 109 HD22 LEU 109 -1.738 25.355 -7.490 900 HD23 LEU 109 HD23 LEU 109 -2.039 26.609 -6.287 901 H GLU 110 H GLU 110 -6.911 24.212 -4.605 902 HA GLU 110 HA GLU 110 -8.857 25.690 -6.233 903 HB2 GLU 110 HB2 GLU 110 -9.255 23.958 -3.797 904 HB3 GLU 110 HB3 GLU 110 -10.511 25.003 -4.451 905 HG2 GLU 110 HG2 GLU 110 -10.398 23.804 -6.576 906 HG3 GLU 110 HG3 GLU 110 -9.152 22.750 -5.907 907 H HIS 111 H HIS 111 -9.046 27.744 -5.877 908 HA HIS 111 HA HIS 111 -8.660 28.749 -3.153 909 HB2 HIS 111 HB2 HIS 111 -7.531 30.764 -4.010 910 HB3 HIS 111 HB3 HIS 111 -6.619 29.303 -4.348 911 HD1 HIS 111 HD1 HIS 111 -7.549 28.390 -7.018 912 HD2 HIS 111 HD2 HIS 111 -7.224 32.425 -6.078 913 HE1 HIS 111 HE1 HIS 111 -7.284 29.575 -9.216 914 HE2 HIS 111 HE2 HIS 111 -6.853 31.980 -8.598 915 H HIS 112 H HIS 112 -10.711 28.998 -2.678 916 HA HIS 112 HA HIS 112 -12.758 29.761 -4.436 917 HB2 HIS 112 HB2 HIS 112 -14.129 30.096 -2.378 918 HB3 HIS 112 HB3 HIS 112 -13.320 28.537 -2.451 919 HD1 HIS 112 HD1 HIS 112 -13.247 31.816 -0.590 920 HD2 HIS 112 HD2 HIS 112 -11.487 28.051 -0.430 921 HE1 HIS 112 HE1 HIS 112 -12.097 31.698 1.638 922 HE2 HIS 112 HE2 HIS 112 -10.898 29.479 1.643 923 H HIS 113 H HIS 113 -13.736 31.629 -4.904 924 HA HIS 113 HA HIS 113 -12.896 34.101 -3.646 925 HB2 HIS 113 HB2 HIS 113 -11.132 33.819 -5.269 926 HB3 HIS 113 HB3 HIS 113 -12.291 33.452 -6.539 927 HD1 HIS 113 HD1 HIS 113 -11.115 36.357 -4.407 928 HD2 HIS 113 HD2 HIS 113 -13.169 35.614 -7.947 929 HE1 HIS 113 HE1 HIS 113 -11.381 38.597 -5.528 930 HE2 HIS 113 HE2 HIS 113 -12.432 38.080 -7.763 931 H HIS 114 H HIS 114 -15.046 34.342 -3.067 932 HA HIS 114 HA HIS 114 -16.510 36.040 -4.655 933 HB2 HIS 114 HB2 HIS 114 -18.361 34.860 -5.528 934 HB3 HIS 114 HB3 HIS 114 -16.954 33.936 -6.018 935 HD1 HIS 114 HD1 HIS 114 -20.208 33.565 -4.567 936 HD2 HIS 114 HD2 HIS 114 -16.577 31.561 -4.241 937 HE1 HIS 114 HE1 HIS 114 -20.767 31.305 -3.612 938 HE2 HIS 114 HE2 HIS 114 -18.588 30.036 -3.646 939 H HIS 115 H HIS 115 -16.440 33.706 -2.085 940 HA HIS 115 HA HIS 115 -17.878 35.482 -0.321 941 HB2 HIS 115 HB2 HIS 115 -19.714 34.273 -1.486 942 HB3 HIS 115 HB3 HIS 115 -19.032 32.747 -0.947 943 HD1 HIS 115 HD1 HIS 115 -21.367 35.376 0.026 944 HD2 HIS 115 HD2 HIS 115 -19.190 32.395 1.948 945 HE1 HIS 115 HE1 HIS 115 -22.413 35.127 2.298 946 HE2 HIS 115 HE2 HIS 115 -21.073 33.328 3.455 947 H HIS 116 H HIS 116 -17.076 35.251 1.719 948 HA HIS 116 HA HIS 116 -14.816 33.663 2.156 949 HB2 HIS 116 HB2 HIS 116 -14.835 34.415 4.420 950 HB3 HIS 116 HB3 HIS 116 -15.406 35.742 3.423 951 HD1 HIS 116 HD1 HIS 116 -16.429 33.429 6.144 952 HD2 HIS 116 HD2 HIS 116 -18.134 36.428 3.819 953 HE1 HIS 116 HE1 HIS 116 -18.582 34.037 7.293 954 HE2 HIS 116 HE2 HIS 116 -19.476 36.005 5.997 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -2.974 -11.606 12.231 2 H2 MET 1 H2 MET 1 -4.584 -12.053 12.515 3 H3 MET 1 H3 MET 1 -3.698 -12.809 11.283 4 HA MET 1 HA MET 1 -3.056 -12.981 14.164 5 HB2 MET 1 HB2 MET 1 -4.409 -14.964 12.323 6 HB3 MET 1 HB3 MET 1 -3.790 -15.364 13.919 7 HG2 MET 1 HG2 MET 1 -5.339 -13.840 14.950 8 HG3 MET 1 HG3 MET 1 -5.910 -13.307 13.369 9 HE1 MET 1 HE1 MET 1 -8.409 -13.794 14.252 10 HE2 MET 1 HE2 MET 1 -7.769 -14.386 15.787 11 HE3 MET 1 HE3 MET 1 -8.922 -15.362 14.876 12 H ALA 2 H ALA 2 -2.691 -14.764 11.106 13 HA ALA 2 HA ALA 2 -0.917 -15.692 10.060 14 HB1 ALA 2 HB1 ALA 2 0.779 -13.985 11.871 15 HB2 ALA 2 HB2 ALA 2 0.175 -13.526 10.278 16 HB3 ALA 2 HB3 ALA 2 1.330 -14.849 10.435 17 H GLU 3 H GLU 3 1.350 -16.848 10.695 18 HA GLU 3 HA GLU 3 0.595 -19.032 12.332 19 HB2 GLU 3 HB2 GLU 3 3.470 -18.458 11.717 20 HB3 GLU 3 HB3 GLU 3 2.637 -20.003 11.784 21 HG2 GLU 3 HG2 GLU 3 2.900 -19.831 9.544 22 HG3 GLU 3 HG3 GLU 3 1.360 -18.987 9.702 23 H LYS 4 H LYS 4 3.038 -16.502 12.780 24 HA LYS 4 HA LYS 4 2.850 -16.979 15.672 25 HB2 LYS 4 HB2 LYS 4 5.254 -16.079 15.710 26 HB3 LYS 4 HB3 LYS 4 5.002 -17.715 15.125 27 HG2 LYS 4 HG2 LYS 4 5.007 -16.731 12.789 28 HG3 LYS 4 HG3 LYS 4 5.600 -15.244 13.530 29 HD2 LYS 4 HD2 LYS 4 7.552 -16.395 14.370 30 HD3 LYS 4 HD3 LYS 4 6.935 -17.941 13.786 31 HE2 LYS 4 HE2 LYS 4 6.996 -17.000 11.473 32 HE3 LYS 4 HE3 LYS 4 7.785 -15.568 12.130 33 HZ1 LYS 4 HZ1 LYS 4 8.848 -18.342 12.275 34 HZ2 LYS 4 HZ2 LYS 4 9.615 -16.956 12.872 35 HZ3 LYS 4 HZ3 LYS 4 9.377 -17.139 11.204 36 H ASN 5 H ASN 5 3.924 -14.430 13.378 37 HA ASN 5 HA ASN 5 2.101 -12.532 14.450 38 HB2 ASN 5 HB2 ASN 5 3.822 -12.725 16.301 39 HB3 ASN 5 HB3 ASN 5 4.991 -12.029 15.185 40 HD21 ASN 5 HD21 ASN 5 1.861 -11.452 16.689 41 HD22 ASN 5 HD22 ASN 5 2.010 -9.728 16.773 42 H ALA 6 H ALA 6 3.627 -13.649 11.958 43 HA ALA 6 HA ALA 6 4.229 -11.030 10.763 44 HB1 ALA 6 HB1 ALA 6 6.082 -12.621 10.636 45 HB2 ALA 6 HB2 ALA 6 5.459 -12.246 9.031 46 HB3 ALA 6 HB3 ALA 6 5.043 -13.776 9.802 47 H TYR 7 H TYR 7 1.903 -10.717 10.689 48 HA TYR 7 HA TYR 7 0.290 -12.358 8.979 49 HB2 TYR 7 HB2 TYR 7 -1.229 -10.170 9.246 50 HB3 TYR 7 HB3 TYR 7 -1.101 -11.393 10.502 51 HD1 TYR 7 HD1 TYR 7 -0.160 -7.982 9.519 52 HD2 TYR 7 HD2 TYR 7 0.100 -10.950 12.550 53 HE1 TYR 7 HE1 TYR 7 0.594 -6.275 11.122 54 HE2 TYR 7 HE2 TYR 7 0.853 -9.256 14.162 55 HH TYR 7 HH TYR 7 0.571 -5.965 13.645 56 H THR 8 H THR 8 -0.711 -11.673 7.008 57 HA THR 8 HA THR 8 1.239 -11.047 5.134 58 HB THR 8 HB THR 8 -0.528 -11.015 3.474 59 HG1 THR 8 HG1 THR 8 -2.762 -11.401 4.684 60 HG21 THR 8 HG21 THR 8 0.145 -13.189 4.367 61 HG22 THR 8 HG22 THR 8 -1.568 -13.185 3.949 62 HG23 THR 8 HG23 THR 8 -1.073 -13.054 5.636 63 H VAL 9 H VAL 9 1.314 -9.331 3.561 64 HA VAL 9 HA VAL 9 1.425 -6.759 4.583 65 HB VAL 9 HB VAL 9 2.606 -7.491 2.557 66 HG11 VAL 9 HG11 VAL 9 -0.094 -7.367 1.223 67 HG12 VAL 9 HG12 VAL 9 0.860 -8.821 1.526 68 HG13 VAL 9 HG13 VAL 9 1.450 -7.597 0.402 69 HG21 VAL 9 HG21 VAL 9 2.330 -5.450 1.245 70 HG22 VAL 9 HG22 VAL 9 2.329 -5.106 2.977 71 HG23 VAL 9 HG23 VAL 9 0.812 -5.117 2.077 72 H ALA 10 H ALA 10 -1.276 -8.534 3.341 73 HA ALA 10 HA ALA 10 -3.009 -6.301 2.912 74 HB1 ALA 10 HB1 ALA 10 -4.786 -7.967 2.755 75 HB2 ALA 10 HB2 ALA 10 -3.691 -9.206 3.372 76 HB3 ALA 10 HB3 ALA 10 -3.383 -8.457 1.806 77 H GLN 11 H GLN 11 -2.667 -8.719 5.517 78 HA GLN 11 HA GLN 11 -4.670 -7.534 7.162 79 HB2 GLN 11 HB2 GLN 11 -2.487 -9.490 7.880 80 HB3 GLN 11 HB3 GLN 11 -3.860 -9.076 8.899 81 HG2 GLN 11 HG2 GLN 11 -5.364 -9.937 7.135 82 HG3 GLN 11 HG3 GLN 11 -3.944 -10.457 6.228 83 HE21 GLN 11 HE21 GLN 11 -5.947 -11.015 8.999 84 HE22 GLN 11 HE22 GLN 11 -5.287 -12.561 9.407 85 H LEU 12 H LEU 12 -1.248 -7.071 6.775 86 HA LEU 12 HA LEU 12 -0.644 -5.702 9.132 87 HB2 LEU 12 HB2 LEU 12 1.033 -6.392 7.472 88 HB3 LEU 12 HB3 LEU 12 0.403 -5.217 6.335 89 HG LEU 12 HG LEU 12 1.072 -3.406 7.918 90 HD11 LEU 12 HD11 LEU 12 2.419 -5.668 9.385 91 HD12 LEU 12 HD12 LEU 12 1.071 -4.698 9.978 92 HD13 LEU 12 HD13 LEU 12 2.644 -3.949 9.709 93 HD21 LEU 12 HD21 LEU 12 2.483 -3.984 6.033 94 HD22 LEU 12 HD22 LEU 12 3.257 -5.259 6.975 95 HD23 LEU 12 HD23 LEU 12 3.474 -3.568 7.431 96 H ALA 13 H ALA 13 -2.059 -4.552 6.103 97 HA ALA 13 HA ALA 13 -2.280 -1.832 6.954 98 HB1 ALA 13 HB1 ALA 13 -3.732 -3.288 4.745 99 HB2 ALA 13 HB2 ALA 13 -2.196 -2.436 4.582 100 HB3 ALA 13 HB3 ALA 13 -3.666 -1.539 4.963 101 H ASP 14 H ASP 14 -4.216 -4.694 7.218 102 HA ASP 14 HA ASP 14 -6.670 -3.477 7.921 103 HB2 ASP 14 HB2 ASP 14 -6.706 -5.740 7.163 104 HB3 ASP 14 HB3 ASP 14 -5.560 -6.243 8.399 105 H GLU 15 H GLU 15 -3.993 -4.791 9.871 106 HA GLU 15 HA GLU 15 -5.263 -4.099 12.335 107 HB2 GLU 15 HB2 GLU 15 -3.426 -5.012 13.405 108 HB3 GLU 15 HB3 GLU 15 -3.405 -5.876 11.881 109 HG2 GLU 15 HG2 GLU 15 -1.281 -5.296 11.691 110 HG3 GLU 15 HG3 GLU 15 -1.818 -3.632 11.448 111 H TYR 16 H TYR 16 -2.997 -2.544 10.165 112 HA TYR 16 HA TYR 16 -2.250 -0.347 11.725 113 HB2 TYR 16 HB2 TYR 16 -1.222 -0.925 9.555 114 HB3 TYR 16 HB3 TYR 16 -2.710 -0.471 8.735 115 HD1 TYR 16 HD1 TYR 16 0.110 0.857 10.745 116 HD2 TYR 16 HD2 TYR 16 -3.140 1.770 8.157 117 HE1 TYR 16 HE1 TYR 16 0.933 3.165 10.534 118 HE2 TYR 16 HE2 TYR 16 -2.328 4.080 7.941 119 HH TYR 16 HH TYR 16 -0.935 5.664 9.184 120 H PHE 17 H PHE 17 -5.092 -0.928 9.736 121 HA PHE 17 HA PHE 17 -6.341 1.558 9.885 122 HB2 PHE 17 HB2 PHE 17 -7.149 -0.271 8.466 123 HB3 PHE 17 HB3 PHE 17 -7.562 -1.214 9.890 124 HD1 PHE 17 HD1 PHE 17 -9.474 -0.557 11.298 125 HD2 PHE 17 HD2 PHE 17 -8.591 1.443 7.654 126 HE1 PHE 17 HE1 PHE 17 -11.736 0.404 11.284 127 HE2 PHE 17 HE2 PHE 17 -10.853 2.416 7.634 128 HZ PHE 17 HZ PHE 17 -12.428 1.896 9.453 129 H GLU 18 H GLU 18 -6.499 -1.212 12.082 130 HA GLU 18 HA GLU 18 -8.352 -0.114 13.896 131 HB2 GLU 18 HB2 GLU 18 -6.228 -2.214 14.350 132 HB3 GLU 18 HB3 GLU 18 -7.588 -1.900 15.417 133 HG2 GLU 18 HG2 GLU 18 -7.836 -2.783 12.552 134 HG3 GLU 18 HG3 GLU 18 -7.881 -3.864 13.944 135 H ARG 19 H ARG 19 -4.968 0.435 13.469 136 HA ARG 19 HA ARG 19 -4.532 1.350 16.184 137 HB2 ARG 19 HB2 ARG 19 -2.676 1.749 13.842 138 HB3 ARG 19 HB3 ARG 19 -2.271 1.762 15.550 139 HG2 ARG 19 HG2 ARG 19 -3.125 -0.633 13.945 140 HG3 ARG 19 HG3 ARG 19 -1.484 -0.256 14.467 141 HD2 ARG 19 HD2 ARG 19 -2.235 -0.426 16.814 142 HD3 ARG 19 HD3 ARG 19 -3.840 -0.888 16.242 143 HE ARG 19 HE ARG 19 -1.909 -2.574 15.070 144 HH11 ARG 19 HH11 ARG 19 -3.405 -1.973 18.197 145 HH12 ARG 19 HH12 ARG 19 -3.171 -3.604 18.751 146 HH21 ARG 19 HH21 ARG 19 -1.600 -4.694 15.801 147 HH22 ARG 19 HH22 ARG 19 -2.140 -5.152 17.393 148 H MET 20 H MET 20 -4.278 2.881 12.963 149 HA MET 20 HA MET 20 -4.070 5.473 14.276 150 HB2 MET 20 HB2 MET 20 -3.863 4.792 11.338 151 HB3 MET 20 HB3 MET 20 -3.435 6.323 12.085 152 HG2 MET 20 HG2 MET 20 -2.068 3.678 12.521 153 HG3 MET 20 HG3 MET 20 -1.460 5.039 11.586 154 HE1 MET 20 HE1 MET 20 0.129 3.510 13.972 155 HE2 MET 20 HE2 MET 20 0.896 4.905 14.734 156 HE3 MET 20 HE3 MET 20 0.810 4.800 12.978 157 H ILE 21 H ILE 21 -6.402 3.654 12.486 158 HA ILE 21 HA ILE 21 -7.940 6.072 11.856 159 HB ILE 21 HB ILE 21 -8.454 3.268 10.839 160 HG12 ILE 21 HG12 ILE 21 -6.789 5.480 9.607 161 HG13 ILE 21 HG13 ILE 21 -6.166 3.971 10.265 162 HG21 ILE 21 HG21 ILE 21 -9.627 4.431 9.028 163 HG22 ILE 21 HG22 ILE 21 -9.259 5.982 9.783 164 HG23 ILE 21 HG23 ILE 21 -10.321 4.834 10.599 165 HD11 ILE 21 HD11 ILE 21 -7.351 2.734 8.523 166 HD12 ILE 21 HD12 ILE 21 -6.234 3.916 7.844 167 HD13 ILE 21 HD13 ILE 21 -7.966 4.251 7.867 168 H ALA 22 H ALA 22 -7.692 4.893 14.506 169 HA ALA 22 HA ALA 22 -10.540 4.370 15.024 170 HB1 ALA 22 HB1 ALA 22 -9.083 2.515 15.701 171 HB2 ALA 22 HB2 ALA 22 -9.866 3.271 17.090 172 HB3 ALA 22 HB3 ALA 22 -8.172 3.617 16.736 173 H GLY 23 H GLY 23 -11.380 5.328 17.038 174 HA2 GLY 23 HA2 GLY 23 -11.427 6.973 18.710 175 HA3 GLY 23 HA3 GLY 23 -9.876 7.570 18.135 176 H ARG 24 H ARG 24 -10.032 8.473 15.797 177 HA ARG 24 HA ARG 24 -12.538 9.701 15.145 178 HB2 ARG 24 HB2 ARG 24 -11.400 12.004 15.007 179 HB3 ARG 24 HB3 ARG 24 -11.955 11.440 16.572 180 HG2 ARG 24 HG2 ARG 24 -9.918 12.260 17.119 181 HG3 ARG 24 HG3 ARG 24 -9.489 10.587 16.793 182 HD2 ARG 24 HD2 ARG 24 -8.761 11.199 14.549 183 HD3 ARG 24 HD3 ARG 24 -9.227 12.874 14.842 184 HE ARG 24 HE ARG 24 -7.476 12.335 16.854 185 HH11 ARG 24 HH11 ARG 24 -7.350 12.067 13.365 186 HH12 ARG 24 HH12 ARG 24 -5.635 12.333 13.271 187 HH21 ARG 24 HH21 ARG 24 -5.221 12.676 16.748 188 HH22 ARG 24 HH22 ARG 24 -4.422 12.695 15.203 189 H TRP 25 H TRP 25 -12.760 9.458 13.131 190 HA TRP 25 HA TRP 25 -10.537 9.746 11.280 191 HB2 TRP 25 HB2 TRP 25 -10.870 7.549 10.269 192 HB3 TRP 25 HB3 TRP 25 -10.459 7.382 11.970 193 HD1 TRP 25 HD1 TRP 25 -12.949 6.309 9.462 194 HE1 TRP 25 HE1 TRP 25 -14.902 5.066 10.590 195 HE3 TRP 25 HE3 TRP 25 -11.964 7.469 14.334 196 HZ2 TRP 25 HZ2 TRP 25 -15.901 4.651 13.183 197 HZ3 TRP 25 HZ3 TRP 25 -13.467 6.617 16.076 198 HH2 TRP 25 HH2 TRP 25 -15.395 5.239 15.509 199 H LYS 26 H LYS 26 -13.982 8.970 11.664 200 HA LYS 26 HA LYS 26 -15.829 9.502 10.488 201 HB2 LYS 26 HB2 LYS 26 -14.018 11.757 9.754 202 HB3 LYS 26 HB3 LYS 26 -15.565 11.591 8.932 203 HG2 LYS 26 HG2 LYS 26 -15.272 11.679 11.922 204 HG3 LYS 26 HG3 LYS 26 -15.588 13.098 10.920 205 HD2 LYS 26 HD2 LYS 26 -17.665 12.168 10.151 206 HD3 LYS 26 HD3 LYS 26 -17.325 10.634 10.950 207 HE2 LYS 26 HE2 LYS 26 -18.952 12.068 12.162 208 HE3 LYS 26 HE3 LYS 26 -17.535 11.635 13.114 209 HZ1 LYS 26 HZ1 LYS 26 -16.635 13.774 12.849 210 HZ2 LYS 26 HZ2 LYS 26 -18.268 14.020 13.246 211 HZ3 LYS 26 HZ3 LYS 26 -17.745 14.197 11.640 212 H HIS 27 H HIS 27 -16.579 8.186 9.069 213 HA HIS 27 HA HIS 27 -16.901 6.938 7.220 214 HB2 HIS 27 HB2 HIS 27 -15.966 9.498 6.216 215 HB3 HIS 27 HB3 HIS 27 -15.579 8.173 5.122 216 HD1 HIS 27 HD1 HIS 27 -17.653 10.320 4.333 217 HD2 HIS 27 HD2 HIS 27 -18.593 6.680 6.129 218 HE1 HIS 27 HE1 HIS 27 -20.047 9.847 3.716 219 HE2 HIS 27 HE2 HIS 27 -20.567 7.598 4.720 220 HA PRO 28 HA PRO 28 -12.803 4.937 7.576 221 HB2 PRO 28 HB2 PRO 28 -13.759 2.487 8.179 222 HB3 PRO 28 HB3 PRO 28 -13.577 3.753 9.398 223 HG2 PRO 28 HG2 PRO 28 -16.036 2.868 7.943 224 HG3 PRO 28 HG3 PRO 28 -15.833 3.269 9.658 225 HD2 PRO 28 HD2 PRO 28 -16.895 4.993 7.839 226 HD3 PRO 28 HD3 PRO 28 -16.006 5.527 9.279 227 H ASN 29 H ASN 29 -15.700 4.208 5.798 228 HA ASN 29 HA ASN 29 -14.709 2.074 4.239 229 HB2 ASN 29 HB2 ASN 29 -16.653 2.419 2.810 230 HB3 ASN 29 HB3 ASN 29 -17.118 2.510 4.504 231 HD21 ASN 29 HD21 ASN 29 -18.354 3.574 2.051 232 HD22 ASN 29 HD22 ASN 29 -18.547 5.275 2.319 233 H ILE 30 H ILE 30 -14.444 5.533 3.940 234 HA ILE 30 HA ILE 30 -13.765 5.713 1.227 235 HB ILE 30 HB ILE 30 -12.825 7.418 3.541 236 HG12 ILE 30 HG12 ILE 30 -15.049 7.792 1.523 237 HG13 ILE 30 HG13 ILE 30 -15.250 7.419 3.232 238 HG21 ILE 30 HG21 ILE 30 -12.660 7.977 0.580 239 HG22 ILE 30 HG22 ILE 30 -11.300 7.641 1.649 240 HG23 ILE 30 HG23 ILE 30 -12.249 9.112 1.869 241 HD11 ILE 30 HD11 ILE 30 -14.068 9.946 2.100 242 HD12 ILE 30 HD12 ILE 30 -14.260 9.574 3.813 243 HD13 ILE 30 HD13 ILE 30 -15.682 9.764 2.786 244 H VAL 31 H VAL 31 -11.638 5.390 4.076 245 HA VAL 31 HA VAL 31 -9.323 5.073 2.419 246 HB VAL 31 HB VAL 31 -9.134 6.101 4.643 247 HG11 VAL 31 HG11 VAL 31 -9.765 3.355 5.699 248 HG12 VAL 31 HG12 VAL 31 -10.749 4.807 5.881 249 HG13 VAL 31 HG13 VAL 31 -9.171 4.706 6.661 250 HG21 VAL 31 HG21 VAL 31 -7.546 3.557 4.355 251 HG22 VAL 31 HG22 VAL 31 -7.113 4.932 5.373 252 HG23 VAL 31 HG23 VAL 31 -7.166 5.114 3.619 253 H ARG 32 H ARG 32 -11.561 2.909 4.075 254 HA ARG 32 HA ARG 32 -10.115 0.518 3.785 255 HB2 ARG 32 HB2 ARG 32 -12.974 1.215 4.167 256 HB3 ARG 32 HB3 ARG 32 -12.624 -0.401 3.570 257 HG2 ARG 32 HG2 ARG 32 -11.488 0.804 6.087 258 HG3 ARG 32 HG3 ARG 32 -12.852 -0.315 6.015 259 HD2 ARG 32 HD2 ARG 32 -11.336 -1.970 4.912 260 HD3 ARG 32 HD3 ARG 32 -9.998 -0.860 5.204 261 HE ARG 32 HE ARG 32 -11.305 -1.317 7.633 262 HH11 ARG 32 HH11 ARG 32 -9.397 -3.133 5.286 263 HH12 ARG 32 HH12 ARG 32 -8.771 -4.223 6.487 264 HH21 ARG 32 HH21 ARG 32 -10.452 -2.762 9.184 265 HH22 ARG 32 HH22 ARG 32 -9.334 -4.004 8.680 266 H SER 33 H SER 33 -12.306 2.181 1.539 267 HA SER 33 HA SER 33 -12.390 0.248 -0.466 268 HB2 SER 33 HB2 SER 33 -12.363 3.265 -0.782 269 HB3 SER 33 HB3 SER 33 -12.872 2.116 -2.021 270 HG SER 33 HG SER 33 -14.068 2.527 0.527 271 H ARG 34 H ARG 34 -9.953 2.635 0.327 272 HA ARG 34 HA ARG 34 -8.331 2.052 -1.964 273 HB2 ARG 34 HB2 ARG 34 -7.773 3.618 0.556 274 HB3 ARG 34 HB3 ARG 34 -6.619 3.444 -0.760 275 HG2 ARG 34 HG2 ARG 34 -8.198 4.512 -2.286 276 HG3 ARG 34 HG3 ARG 34 -9.347 4.697 -0.961 277 HD2 ARG 34 HD2 ARG 34 -7.791 6.131 0.222 278 HD3 ARG 34 HD3 ARG 34 -6.580 5.888 -1.036 279 HE ARG 34 HE ARG 34 -8.756 6.874 -2.364 280 HH11 ARG 34 HH11 ARG 34 -6.790 7.998 0.310 281 HH12 ARG 34 HH12 ARG 34 -7.062 9.679 -0.034 282 HH21 ARG 34 HH21 ARG 34 -9.101 9.050 -2.833 283 HH22 ARG 34 HH22 ARG 34 -8.385 10.287 -1.838 284 H ILE 35 H ILE 35 -8.188 1.255 1.503 285 HA ILE 35 HA ILE 35 -5.772 -0.116 1.512 286 HB ILE 35 HB ILE 35 -8.231 -0.671 3.181 287 HG12 ILE 35 HG12 ILE 35 -5.737 0.941 3.781 288 HG13 ILE 35 HG13 ILE 35 -7.310 1.622 3.378 289 HG21 ILE 35 HG21 ILE 35 -6.749 -2.596 3.198 290 HG22 ILE 35 HG22 ILE 35 -6.692 -1.768 4.753 291 HG23 ILE 35 HG23 ILE 35 -5.378 -1.560 3.595 292 HD11 ILE 35 HD11 ILE 35 -6.680 -0.057 5.794 293 HD12 ILE 35 HD12 ILE 35 -8.252 0.636 5.397 294 HD13 ILE 35 HD13 ILE 35 -6.891 1.695 5.770 295 H GLU 36 H GLU 36 -9.030 -1.421 0.899 296 HA GLU 36 HA GLU 36 -8.082 -4.104 0.649 297 HB2 GLU 36 HB2 GLU 36 -10.728 -3.006 -0.304 298 HB3 GLU 36 HB3 GLU 36 -10.342 -4.683 0.041 299 HG2 GLU 36 HG2 GLU 36 -10.623 -2.425 2.000 300 HG3 GLU 36 HG3 GLU 36 -11.644 -3.851 1.839 301 H LYS 37 H LYS 37 -8.669 -1.501 -1.650 302 HA LYS 37 HA LYS 37 -8.374 -3.417 -3.850 303 HB2 LYS 37 HB2 LYS 37 -10.526 -2.156 -3.655 304 HB3 LYS 37 HB3 LYS 37 -9.625 -0.677 -3.950 305 HG2 LYS 37 HG2 LYS 37 -9.536 -2.953 -5.892 306 HG3 LYS 37 HG3 LYS 37 -10.850 -1.777 -5.909 307 HD2 LYS 37 HD2 LYS 37 -8.106 -0.696 -5.823 308 HD3 LYS 37 HD3 LYS 37 -8.593 -1.488 -7.312 309 HE2 LYS 37 HE2 LYS 37 -9.031 0.900 -7.399 310 HE3 LYS 37 HE3 LYS 37 -10.530 -0.019 -7.482 311 HZ1 LYS 37 HZ1 LYS 37 -10.841 0.435 -5.092 312 HZ2 LYS 37 HZ2 LYS 37 -10.797 1.850 -6.016 313 HZ3 LYS 37 HZ3 LYS 37 -9.444 1.398 -5.097 314 H ASP 38 H ASP 38 -7.524 -0.053 -3.008 315 HA ASP 38 HA ASP 38 -5.751 0.169 -5.252 316 HB2 ASP 38 HB2 ASP 38 -6.224 1.992 -2.886 317 HB3 ASP 38 HB3 ASP 38 -5.178 2.389 -4.247 318 H ILE 39 H ILE 39 -5.367 -0.279 -1.775 319 HA ILE 39 HA ILE 39 -2.497 -0.129 -1.888 320 HB ILE 39 HB ILE 39 -4.244 -1.173 0.352 321 HG12 ILE 39 HG12 ILE 39 -4.793 1.158 -0.236 322 HG13 ILE 39 HG13 ILE 39 -4.027 1.051 1.345 323 HG21 ILE 39 HG21 ILE 39 -1.375 -0.250 0.329 324 HG22 ILE 39 HG22 ILE 39 -1.949 -1.901 0.571 325 HG23 ILE 39 HG23 ILE 39 -2.299 -0.660 1.774 326 HD11 ILE 39 HD11 ILE 39 -1.912 1.777 0.360 327 HD12 ILE 39 HD12 ILE 39 -3.198 2.954 0.102 328 HD13 ILE 39 HD13 ILE 39 -2.695 1.896 -1.216 329 H LYS 40 H LYS 40 -4.926 -2.675 -1.809 330 HA LYS 40 HA LYS 40 -2.802 -4.597 -2.477 331 HB2 LYS 40 HB2 LYS 40 -5.224 -4.883 -0.766 332 HB3 LYS 40 HB3 LYS 40 -4.768 -6.261 -1.759 333 HG2 LYS 40 HG2 LYS 40 -3.793 -6.559 0.377 334 HG3 LYS 40 HG3 LYS 40 -2.494 -6.144 -0.738 335 HD2 LYS 40 HD2 LYS 40 -3.343 -3.697 0.239 336 HD3 LYS 40 HD3 LYS 40 -3.419 -4.765 1.643 337 HE2 LYS 40 HE2 LYS 40 -1.092 -5.527 1.024 338 HE3 LYS 40 HE3 LYS 40 -1.050 -4.186 -0.117 339 HZ1 LYS 40 HZ1 LYS 40 -1.316 -4.033 2.831 340 HZ2 LYS 40 HZ2 LYS 40 -1.546 -2.705 1.807 341 HZ3 LYS 40 HZ3 LYS 40 -0.037 -3.464 1.884 342 HA PRO 41 HA PRO 41 -5.584 -4.230 -6.155 343 HB2 PRO 41 HB2 PRO 41 -3.153 -4.093 -7.735 344 HB3 PRO 41 HB3 PRO 41 -4.438 -2.892 -7.579 345 HG2 PRO 41 HG2 PRO 41 -1.930 -2.524 -6.590 346 HG3 PRO 41 HG3 PRO 41 -3.374 -1.789 -5.869 347 HD2 PRO 41 HD2 PRO 41 -1.865 -4.236 -5.019 348 HD3 PRO 41 HD3 PRO 41 -2.542 -2.929 -4.021 349 H ALA 42 H ALA 42 -2.935 -6.213 -5.241 350 HA ALA 42 HA ALA 42 -4.047 -8.555 -6.376 351 HB1 ALA 42 HB1 ALA 42 -3.077 -7.611 -8.434 352 HB2 ALA 42 HB2 ALA 42 -2.300 -9.123 -7.970 353 HB3 ALA 42 HB3 ALA 42 -1.492 -7.587 -7.660 354 H ILE 43 H ILE 43 -1.270 -6.914 -5.052 355 HA ILE 43 HA ILE 43 -0.088 -9.272 -3.934 356 HB ILE 43 HB ILE 43 1.251 -7.489 -2.614 357 HG12 ILE 43 HG12 ILE 43 0.105 -5.728 -4.787 358 HG13 ILE 43 HG13 ILE 43 -0.485 -5.708 -3.129 359 HG21 ILE 43 HG21 ILE 43 2.129 -8.775 -4.494 360 HG22 ILE 43 HG22 ILE 43 2.699 -7.106 -4.550 361 HG23 ILE 43 HG23 ILE 43 1.400 -7.631 -5.623 362 HD11 ILE 43 HD11 ILE 43 1.080 -3.897 -3.540 363 HD12 ILE 43 HD12 ILE 43 2.318 -5.059 -4.018 364 HD13 ILE 43 HD13 ILE 43 1.731 -5.032 -2.355 365 H GLY 44 H GLY 44 -2.193 -9.909 -2.928 366 HA2 GLY 44 HA2 GLY 44 -2.197 -8.958 -0.140 367 HA3 GLY 44 HA3 GLY 44 -3.715 -9.143 -1.010 368 H SER 45 H SER 45 -2.603 -10.547 1.397 369 HA SER 45 HA SER 45 -2.287 -12.621 2.272 370 HB2 SER 45 HB2 SER 45 -4.036 -13.419 -0.074 371 HB3 SER 45 HB3 SER 45 -3.735 -14.400 1.362 372 HG SER 45 HG SER 45 -5.713 -12.894 1.168 373 H LEU 46 H LEU 46 -0.327 -11.648 0.478 374 HA LEU 46 HA LEU 46 0.716 -14.099 -0.777 375 HB2 LEU 46 HB2 LEU 46 0.121 -12.278 -2.357 376 HB3 LEU 46 HB3 LEU 46 1.194 -11.194 -1.500 377 HG LEU 46 HG LEU 46 3.103 -12.670 -2.158 378 HD11 LEU 46 HD11 LEU 46 1.840 -14.722 -2.556 379 HD12 LEU 46 HD12 LEU 46 2.780 -14.250 -3.973 380 HD13 LEU 46 HD13 LEU 46 1.041 -13.963 -3.933 381 HD21 LEU 46 HD21 LEU 46 3.176 -11.875 -4.471 382 HD22 LEU 46 HD22 LEU 46 2.613 -10.624 -3.364 383 HD23 LEU 46 HD23 LEU 46 1.459 -11.482 -4.387 384 H LYS 47 H LYS 47 1.035 -13.526 1.983 385 HA LYS 47 HA LYS 47 2.425 -12.987 3.670 386 HB2 LYS 47 HB2 LYS 47 4.211 -14.033 1.552 387 HB3 LYS 47 HB3 LYS 47 4.981 -13.202 2.901 388 HG2 LYS 47 HG2 LYS 47 3.045 -15.490 3.174 389 HG3 LYS 47 HG3 LYS 47 4.804 -15.632 3.241 390 HD2 LYS 47 HD2 LYS 47 4.901 -14.233 5.190 391 HD3 LYS 47 HD3 LYS 47 3.177 -13.877 5.074 392 HE2 LYS 47 HE2 LYS 47 2.584 -16.080 5.663 393 HE3 LYS 47 HE3 LYS 47 4.226 -16.664 5.421 394 HZ1 LYS 47 HZ1 LYS 47 3.330 -14.805 7.561 395 HZ2 LYS 47 HZ2 LYS 47 4.931 -15.303 7.318 396 HZ3 LYS 47 HZ3 LYS 47 3.750 -16.435 7.771 397 H VAL 48 H VAL 48 4.406 -11.596 4.314 398 HA VAL 48 HA VAL 48 3.889 -8.932 3.285 399 HB VAL 48 HB VAL 48 6.000 -9.483 5.317 400 HG11 VAL 48 HG11 VAL 48 5.631 -7.207 4.587 401 HG12 VAL 48 HG12 VAL 48 5.151 -7.390 6.274 402 HG13 VAL 48 HG13 VAL 48 3.922 -7.324 5.010 403 HG21 VAL 48 HG21 VAL 48 4.191 -10.935 6.027 404 HG22 VAL 48 HG22 VAL 48 3.047 -9.599 5.906 405 HG23 VAL 48 HG23 VAL 48 4.335 -9.552 7.109 406 H GLU 49 H GLU 49 6.541 -11.218 3.574 407 HA GLU 49 HA GLU 49 8.560 -9.421 2.714 408 HB2 GLU 49 HB2 GLU 49 8.716 -12.434 2.754 409 HB3 GLU 49 HB3 GLU 49 10.047 -11.292 2.882 410 HG2 GLU 49 HG2 GLU 49 9.845 -11.799 5.065 411 HG3 GLU 49 HG3 GLU 49 8.646 -10.514 5.007 412 H ASP 50 H ASP 50 6.214 -10.952 0.930 413 HA ASP 50 HA ASP 50 7.893 -11.418 -1.404 414 HB2 ASP 50 HB2 ASP 50 5.857 -12.873 -0.632 415 HB3 ASP 50 HB3 ASP 50 4.902 -11.644 -1.453 416 H VAL 51 H VAL 51 6.280 -8.816 -0.018 417 HA VAL 51 HA VAL 51 5.451 -7.584 -2.463 418 HB VAL 51 HB VAL 51 4.403 -6.977 -0.301 419 HG11 VAL 51 HG11 VAL 51 6.364 -6.914 1.135 420 HG12 VAL 51 HG12 VAL 51 5.467 -5.398 1.206 421 HG13 VAL 51 HG13 VAL 51 6.959 -5.495 0.271 422 HG21 VAL 51 HG21 VAL 51 4.132 -5.542 -2.212 423 HG22 VAL 51 HG22 VAL 51 5.643 -4.711 -1.841 424 HG23 VAL 51 HG23 VAL 51 4.265 -4.566 -0.749 425 H LYS 52 H LYS 52 6.976 -7.419 -3.900 426 HA LYS 52 HA LYS 52 9.589 -6.331 -3.142 427 HB2 LYS 52 HB2 LYS 52 8.818 -8.086 -5.489 428 HB3 LYS 52 HB3 LYS 52 10.450 -7.545 -5.105 429 HG2 LYS 52 HG2 LYS 52 10.546 -8.853 -3.160 430 HG3 LYS 52 HG3 LYS 52 8.806 -9.123 -3.155 431 HD2 LYS 52 HD2 LYS 52 9.065 -10.436 -5.246 432 HD3 LYS 52 HD3 LYS 52 10.818 -10.257 -5.095 433 HE2 LYS 52 HE2 LYS 52 10.740 -11.363 -2.915 434 HE3 LYS 52 HE3 LYS 52 8.994 -11.524 -3.052 435 HZ1 LYS 52 HZ1 LYS 52 10.179 -13.568 -3.621 436 HZ2 LYS 52 HZ2 LYS 52 10.957 -12.769 -4.896 437 HZ3 LYS 52 HZ3 LYS 52 9.274 -12.976 -4.928 438 HA PRO 53 HA PRO 53 9.312 -2.614 -5.389 439 HB2 PRO 53 HB2 PRO 53 11.467 -3.654 -7.186 440 HB3 PRO 53 HB3 PRO 53 11.347 -2.094 -6.363 441 HG2 PRO 53 HG2 PRO 53 12.933 -3.977 -5.397 442 HG3 PRO 53 HG3 PRO 53 11.948 -2.993 -4.298 443 HD2 PRO 53 HD2 PRO 53 11.567 -5.816 -5.175 444 HD3 PRO 53 HD3 PRO 53 11.196 -5.057 -3.613 445 H ARG 54 H ARG 54 9.773 -5.370 -7.607 446 HA ARG 54 HA ARG 54 8.632 -4.001 -9.827 447 HB2 ARG 54 HB2 ARG 54 10.267 -6.085 -9.667 448 HB3 ARG 54 HB3 ARG 54 8.759 -6.982 -9.747 449 HG2 ARG 54 HG2 ARG 54 9.398 -4.852 -11.747 450 HG3 ARG 54 HG3 ARG 54 10.019 -6.492 -11.927 451 HD2 ARG 54 HD2 ARG 54 7.843 -7.399 -12.087 452 HD3 ARG 54 HD3 ARG 54 7.099 -5.898 -11.534 453 HE ARG 54 HE ARG 54 7.118 -5.155 -13.680 454 HH11 ARG 54 HH11 ARG 54 9.580 -7.648 -13.407 455 HH12 ARG 54 HH12 ARG 54 9.900 -7.686 -15.115 456 HH21 ARG 54 HH21 ARG 54 7.543 -5.213 -15.906 457 HH22 ARG 54 HH22 ARG 54 8.760 -6.282 -16.536 458 H HIS 55 H HIS 55 7.369 -6.156 -7.353 459 HA HIS 55 HA HIS 55 4.815 -6.548 -8.491 460 HB2 HIS 55 HB2 HIS 55 5.816 -6.640 -5.651 461 HB3 HIS 55 HB3 HIS 55 4.107 -6.843 -6.018 462 HD1 HIS 55 HD1 HIS 55 6.226 -9.058 -4.869 463 HD2 HIS 55 HD2 HIS 55 4.584 -8.807 -8.682 464 HE1 HIS 55 HE1 HIS 55 6.412 -11.360 -5.838 465 HE2 HIS 55 HE2 HIS 55 5.606 -11.138 -8.214 466 H ILE 56 H ILE 56 6.219 -3.961 -6.612 467 HA ILE 56 HA ILE 56 3.744 -2.577 -6.179 468 HB ILE 56 HB ILE 56 6.628 -1.812 -5.763 469 HG12 ILE 56 HG12 ILE 56 5.640 -3.392 -4.171 470 HG13 ILE 56 HG13 ILE 56 5.996 -1.852 -3.400 471 HG21 ILE 56 HG21 ILE 56 5.509 0.226 -6.394 472 HG22 ILE 56 HG22 ILE 56 5.826 0.242 -4.660 473 HG23 ILE 56 HG23 ILE 56 4.201 -0.101 -5.256 474 HD11 ILE 56 HD11 ILE 56 3.282 -2.735 -4.356 475 HD12 ILE 56 HD12 ILE 56 3.658 -1.232 -3.510 476 HD13 ILE 56 HD13 ILE 56 3.852 -2.779 -2.687 477 H ASP 57 H ASP 57 6.444 -2.222 -8.477 478 HA ASP 57 HA ASP 57 5.595 0.263 -9.510 479 HB2 ASP 57 HB2 ASP 57 7.289 0.072 -11.065 480 HB3 ASP 57 HB3 ASP 57 7.865 -1.019 -9.823 481 H ASP 58 H ASP 58 4.777 -3.027 -10.311 482 HA ASP 58 HA ASP 58 3.322 -2.413 -12.676 483 HB2 ASP 58 HB2 ASP 58 4.238 -4.670 -12.154 484 HB3 ASP 58 HB3 ASP 58 3.014 -4.836 -10.898 485 H VAL 59 H VAL 59 2.336 -2.919 -9.287 486 HA VAL 59 HA VAL 59 -0.441 -2.724 -9.900 487 HB VAL 59 HB VAL 59 -0.836 -2.570 -7.481 488 HG11 VAL 59 HG11 VAL 59 -0.606 -4.752 -8.503 489 HG12 VAL 59 HG12 VAL 59 0.074 -4.764 -6.876 490 HG13 VAL 59 HG13 VAL 59 1.140 -4.696 -8.279 491 HG21 VAL 59 HG21 VAL 59 1.083 -1.234 -6.826 492 HG22 VAL 59 HG22 VAL 59 2.166 -2.564 -7.235 493 HG23 VAL 59 HG23 VAL 59 1.024 -2.736 -5.901 494 H LEU 60 H LEU 60 1.989 -0.382 -8.851 495 HA LEU 60 HA LEU 60 0.169 1.758 -8.433 496 HB2 LEU 60 HB2 LEU 60 3.103 1.753 -9.142 497 HB3 LEU 60 HB3 LEU 60 2.198 3.214 -8.796 498 HG LEU 60 HG LEU 60 2.728 0.938 -6.883 499 HD11 LEU 60 HD11 LEU 60 4.025 2.602 -5.663 500 HD12 LEU 60 HD12 LEU 60 3.683 3.797 -6.916 501 HD13 LEU 60 HD13 LEU 60 4.653 2.372 -7.294 502 HD21 LEU 60 HD21 LEU 60 1.165 3.490 -6.482 503 HD22 LEU 60 HD22 LEU 60 1.619 2.357 -5.209 504 HD23 LEU 60 HD23 LEU 60 0.513 1.849 -6.485 505 H LYS 61 H LYS 61 1.846 0.530 -11.264 506 HA LYS 61 HA LYS 61 1.160 2.579 -13.060 507 HB2 LYS 61 HB2 LYS 61 2.834 1.103 -13.778 508 HB3 LYS 61 HB3 LYS 61 1.908 -0.319 -13.332 509 HG2 LYS 61 HG2 LYS 61 0.712 1.326 -15.450 510 HG3 LYS 61 HG3 LYS 61 2.251 0.560 -15.859 511 HD2 LYS 61 HD2 LYS 61 -0.203 -0.841 -14.786 512 HD3 LYS 61 HD3 LYS 61 0.366 -0.876 -16.454 513 HE2 LYS 61 HE2 LYS 61 2.452 -1.937 -15.713 514 HE3 LYS 61 HE3 LYS 61 1.860 -1.920 -14.053 515 HZ1 LYS 61 HZ1 LYS 61 1.497 -4.075 -14.964 516 HZ2 LYS 61 HZ2 LYS 61 0.736 -3.439 -16.342 517 HZ3 LYS 61 HZ3 LYS 61 -0.023 -3.325 -14.830 518 H ALA 62 H ALA 62 -0.598 -0.181 -11.836 519 HA ALA 62 HA ALA 62 -2.782 0.051 -13.663 520 HB1 ALA 62 HB1 ALA 62 -2.274 -2.050 -12.511 521 HB2 ALA 62 HB2 ALA 62 -3.925 -1.518 -12.196 522 HB3 ALA 62 HB3 ALA 62 -2.679 -1.301 -10.967 523 H VAL 63 H VAL 63 -2.333 0.983 -10.243 524 HA VAL 63 HA VAL 63 -4.933 2.055 -9.985 525 HB VAL 63 HB VAL 63 -4.158 3.056 -7.876 526 HG11 VAL 63 HG11 VAL 63 -3.230 0.216 -8.270 527 HG12 VAL 63 HG12 VAL 63 -4.887 0.725 -7.945 528 HG13 VAL 63 HG13 VAL 63 -3.635 0.975 -6.729 529 HG21 VAL 63 HG21 VAL 63 -1.913 3.706 -8.523 530 HG22 VAL 63 HG22 VAL 63 -1.450 2.011 -8.679 531 HG23 VAL 63 HG23 VAL 63 -1.871 2.669 -7.097 532 H MET 64 H MET 64 -1.956 3.479 -11.143 533 HA MET 64 HA MET 64 -2.768 6.190 -10.791 534 HB2 MET 64 HB2 MET 64 -0.882 6.798 -12.167 535 HB3 MET 64 HB3 MET 64 -0.393 5.518 -11.073 536 HG2 MET 64 HG2 MET 64 -0.513 3.895 -12.845 537 HG3 MET 64 HG3 MET 64 -1.140 5.112 -13.956 538 HE1 MET 64 HE1 MET 64 1.675 5.686 -11.263 539 HE2 MET 64 HE2 MET 64 3.122 5.269 -12.179 540 HE3 MET 64 HE3 MET 64 1.942 4.021 -11.773 541 H LYS 65 H LYS 65 -3.384 3.777 -13.209 542 HA LYS 65 HA LYS 65 -4.478 5.706 -15.076 543 HB2 LYS 65 HB2 LYS 65 -3.230 3.778 -15.929 544 HB3 LYS 65 HB3 LYS 65 -4.347 2.683 -15.137 545 HG2 LYS 65 HG2 LYS 65 -5.364 4.644 -17.145 546 HG3 LYS 65 HG3 LYS 65 -4.584 3.149 -17.670 547 HD2 LYS 65 HD2 LYS 65 -6.790 3.137 -15.644 548 HD3 LYS 65 HD3 LYS 65 -7.129 3.146 -17.365 549 HE2 LYS 65 HE2 LYS 65 -5.310 1.129 -16.098 550 HE3 LYS 65 HE3 LYS 65 -7.050 0.888 -16.208 551 HZ1 LYS 65 HZ1 LYS 65 -6.865 1.137 -18.628 552 HZ2 LYS 65 HZ2 LYS 65 -5.958 -0.173 -18.057 553 HZ3 LYS 65 HZ3 LYS 65 -5.180 1.272 -18.489 554 H ARG 66 H ARG 66 -5.500 3.206 -12.848 555 HA ARG 66 HA ARG 66 -8.232 3.152 -13.375 556 HB2 ARG 66 HB2 ARG 66 -6.667 2.699 -10.841 557 HB3 ARG 66 HB3 ARG 66 -8.410 2.495 -10.905 558 HG2 ARG 66 HG2 ARG 66 -6.465 1.010 -12.653 559 HG3 ARG 66 HG3 ARG 66 -7.134 0.390 -11.142 560 HD2 ARG 66 HD2 ARG 66 -9.419 0.803 -12.152 561 HD3 ARG 66 HD3 ARG 66 -8.589 1.054 -13.687 562 HE ARG 66 HE ARG 66 -7.729 -1.253 -13.427 563 HH11 ARG 66 HH11 ARG 66 -10.595 -0.274 -11.661 564 HH12 ARG 66 HH12 ARG 66 -11.235 -1.890 -11.544 565 HH21 ARG 66 HH21 ARG 66 -8.555 -3.375 -13.284 566 HH22 ARG 66 HH22 ARG 66 -10.091 -3.657 -12.508 567 H GLY 67 H GLY 67 -6.374 5.341 -11.325 568 HA2 GLY 67 HA2 GLY 67 -8.833 6.952 -11.007 569 HA3 GLY 67 HA3 GLY 67 -7.595 6.837 -9.763 570 H ALA 68 H ALA 68 -5.529 7.750 -10.181 571 HA ALA 68 HA ALA 68 -5.024 9.427 -12.435 572 HB1 ALA 68 HB1 ALA 68 -6.673 10.848 -11.279 573 HB2 ALA 68 HB2 ALA 68 -5.065 11.576 -11.258 574 HB3 ALA 68 HB3 ALA 68 -5.694 10.783 -9.814 575 HA PRO 69 HA PRO 69 -0.939 8.730 -11.119 576 HB2 PRO 69 HB2 PRO 69 -0.187 11.487 -11.798 577 HB3 PRO 69 HB3 PRO 69 0.332 9.965 -12.516 578 HG2 PRO 69 HG2 PRO 69 -1.312 11.688 -13.789 579 HG3 PRO 69 HG3 PRO 69 -1.354 9.936 -14.045 580 HD2 PRO 69 HD2 PRO 69 -3.194 11.674 -12.480 581 HD3 PRO 69 HD3 PRO 69 -3.540 10.201 -13.410 582 H SER 70 H SER 70 -2.315 11.833 -10.152 583 HA SER 70 HA SER 70 -0.628 12.410 -8.007 584 HB2 SER 70 HB2 SER 70 -3.568 13.076 -8.047 585 HB3 SER 70 HB3 SER 70 -2.230 14.031 -7.402 586 HG SER 70 HG SER 70 -1.680 14.663 -9.390 587 H ILE 71 H ILE 71 -3.379 10.264 -8.272 588 HA ILE 71 HA ILE 71 -3.775 9.876 -5.479 589 HB ILE 71 HB ILE 71 -4.576 8.118 -7.808 590 HG12 ILE 71 HG12 ILE 71 -6.144 10.198 -6.262 591 HG13 ILE 71 HG13 ILE 71 -5.548 10.377 -7.909 592 HG21 ILE 71 HG21 ILE 71 -5.547 8.093 -4.952 593 HG22 ILE 71 HG22 ILE 71 -4.529 6.871 -5.714 594 HG23 ILE 71 HG23 ILE 71 -6.186 7.110 -6.269 595 HD11 ILE 71 HD11 ILE 71 -7.914 9.862 -7.892 596 HD12 ILE 71 HD12 ILE 71 -7.606 8.389 -6.970 597 HD13 ILE 71 HD13 ILE 71 -7.001 8.540 -8.619 598 H ALA 72 H ALA 72 -1.863 8.272 -7.966 599 HA ALA 72 HA ALA 72 -1.027 6.078 -6.385 600 HB1 ALA 72 HB1 ALA 72 0.394 7.351 -8.721 601 HB2 ALA 72 HB2 ALA 72 -0.847 6.104 -8.831 602 HB3 ALA 72 HB3 ALA 72 0.698 5.743 -8.063 603 H ASN 73 H ASN 73 0.176 9.346 -6.824 604 HA ASN 73 HA ASN 73 2.601 8.976 -5.357 605 HB2 ASN 73 HB2 ASN 73 1.107 11.570 -5.819 606 HB3 ASN 73 HB3 ASN 73 2.808 11.390 -5.408 607 HD21 ASN 73 HD21 ASN 73 3.193 9.124 -7.179 608 HD22 ASN 73 HD22 ASN 73 3.183 9.752 -8.781 609 H ASP 74 H ASP 74 -0.630 10.083 -4.611 610 HA ASP 74 HA ASP 74 -0.173 10.772 -1.901 611 HB2 ASP 74 HB2 ASP 74 -2.174 11.490 -3.166 612 HB3 ASP 74 HB3 ASP 74 -2.743 9.824 -3.193 613 H THR 75 H THR 75 -1.034 7.770 -3.498 614 HA THR 75 HA THR 75 -1.537 6.209 -1.216 615 HB THR 75 HB THR 75 -0.452 5.364 -3.915 616 HG1 THR 75 HG1 THR 75 -2.490 6.371 -4.054 617 HG21 THR 75 HG21 THR 75 -0.079 3.633 -2.227 618 HG22 THR 75 HG22 THR 75 -1.341 3.145 -3.361 619 HG23 THR 75 HG23 THR 75 -1.775 3.722 -1.752 620 H LEU 76 H LEU 76 1.439 7.144 -2.822 621 HA LEU 76 HA LEU 76 3.228 5.383 -1.570 622 HB2 LEU 76 HB2 LEU 76 3.651 8.216 -2.522 623 HB3 LEU 76 HB3 LEU 76 4.942 7.135 -2.037 624 HG LEU 76 HG LEU 76 3.056 6.588 -4.327 625 HD11 LEU 76 HD11 LEU 76 4.911 7.206 -5.781 626 HD12 LEU 76 HD12 LEU 76 5.876 7.657 -4.375 627 HD13 LEU 76 HD13 LEU 76 4.418 8.566 -4.773 628 HD21 LEU 76 HD21 LEU 76 4.685 4.873 -4.926 629 HD22 LEU 76 HD22 LEU 76 4.038 4.590 -3.310 630 HD23 LEU 76 HD23 LEU 76 5.648 5.278 -3.506 631 H ARG 77 H ARG 77 1.693 8.307 -0.457 632 HA ARG 77 HA ARG 77 3.351 8.877 1.754 633 HB2 ARG 77 HB2 ARG 77 1.478 10.295 0.654 634 HB3 ARG 77 HB3 ARG 77 0.387 9.397 1.696 635 HG2 ARG 77 HG2 ARG 77 0.897 11.472 2.746 636 HG3 ARG 77 HG3 ARG 77 1.704 10.187 3.652 637 HD2 ARG 77 HD2 ARG 77 3.810 10.748 2.775 638 HD3 ARG 77 HD3 ARG 77 3.106 11.715 1.479 639 HE ARG 77 HE ARG 77 2.443 12.757 4.050 640 HH11 ARG 77 HH11 ARG 77 5.060 12.605 1.707 641 HH12 ARG 77 HH12 ARG 77 5.740 14.137 2.189 642 HH21 ARG 77 HH21 ARG 77 3.328 14.742 4.680 643 HH22 ARG 77 HH22 ARG 77 4.750 15.361 3.885 644 H TRP 78 H TRP 78 0.501 6.846 1.341 645 HA TRP 78 HA TRP 78 0.443 5.967 4.068 646 HB2 TRP 78 HB2 TRP 78 -0.909 4.944 1.568 647 HB3 TRP 78 HB3 TRP 78 -1.126 4.198 3.150 648 HD1 TRP 78 HD1 TRP 78 -2.517 6.861 0.986 649 HE1 TRP 78 HE1 TRP 78 -4.226 8.288 2.287 650 HE3 TRP 78 HE3 TRP 78 -1.477 5.241 5.727 651 HZ2 TRP 78 HZ2 TRP 78 -5.021 8.666 4.969 652 HZ3 TRP 78 HZ3 TRP 78 -2.759 6.186 7.604 653 HH2 TRP 78 HH2 TRP 78 -4.494 7.864 7.231 654 H LEU 79 H LEU 79 1.656 4.635 1.016 655 HA LEU 79 HA LEU 79 2.466 2.120 1.918 656 HB2 LEU 79 HB2 LEU 79 3.782 3.868 -0.164 657 HB3 LEU 79 HB3 LEU 79 4.088 2.156 0.051 658 HG LEU 79 HG LEU 79 1.475 3.398 -0.813 659 HD11 LEU 79 HD11 LEU 79 1.933 2.293 -2.941 660 HD12 LEU 79 HD12 LEU 79 3.482 1.727 -2.316 661 HD13 LEU 79 HD13 LEU 79 3.198 3.454 -2.534 662 HD21 LEU 79 HD21 LEU 79 1.115 1.399 0.548 663 HD22 LEU 79 HD22 LEU 79 2.220 0.495 -0.486 664 HD23 LEU 79 HD23 LEU 79 0.703 1.111 -1.143 665 H LYS 80 H LYS 80 4.205 5.197 1.918 666 HA LYS 80 HA LYS 80 6.655 4.570 2.904 667 HB2 LYS 80 HB2 LYS 80 5.931 6.818 2.321 668 HB3 LYS 80 HB3 LYS 80 4.811 6.840 3.672 669 HG2 LYS 80 HG2 LYS 80 6.549 8.088 4.476 670 HG3 LYS 80 HG3 LYS 80 6.947 6.488 5.101 671 HD2 LYS 80 HD2 LYS 80 8.040 7.567 2.517 672 HD3 LYS 80 HD3 LYS 80 8.826 7.786 4.066 673 HE2 LYS 80 HE2 LYS 80 8.841 5.291 4.320 674 HE3 LYS 80 HE3 LYS 80 8.271 5.194 2.654 675 HZ1 LYS 80 HZ1 LYS 80 10.652 4.954 2.718 676 HZ2 LYS 80 HZ2 LYS 80 10.822 6.403 3.580 677 HZ3 LYS 80 HZ3 LYS 80 10.268 6.431 1.977 678 H ARG 81 H ARG 81 3.842 5.372 4.907 679 HA ARG 81 HA ARG 81 5.052 4.771 7.372 680 HB2 ARG 81 HB2 ARG 81 2.113 4.832 6.660 681 HB3 ARG 81 HB3 ARG 81 2.772 4.869 8.288 682 HG2 ARG 81 HG2 ARG 81 3.775 7.007 7.910 683 HG3 ARG 81 HG3 ARG 81 3.345 6.953 6.200 684 HD2 ARG 81 HD2 ARG 81 0.982 7.006 6.773 685 HD3 ARG 81 HD3 ARG 81 1.384 6.989 8.489 686 HE ARG 81 HE ARG 81 2.445 9.192 8.110 687 HH11 ARG 81 HH11 ARG 81 0.059 8.046 5.826 688 HH12 ARG 81 HH12 ARG 81 -0.420 9.640 5.322 689 HH21 ARG 81 HH21 ARG 81 1.832 11.287 7.463 690 HH22 ARG 81 HH22 ARG 81 0.591 11.482 6.254 691 H MET 82 H MET 82 2.962 2.830 5.268 692 HA MET 82 HA MET 82 2.561 0.703 7.067 693 HB2 MET 82 HB2 MET 82 1.135 1.025 5.115 694 HB3 MET 82 HB3 MET 82 2.488 0.692 4.044 695 HG2 MET 82 HG2 MET 82 2.617 -1.590 4.937 696 HG3 MET 82 HG3 MET 82 1.230 -1.252 5.970 697 HE1 MET 82 HE1 MET 82 0.995 -1.214 1.361 698 HE2 MET 82 HE2 MET 82 2.484 -1.545 2.247 699 HE3 MET 82 HE3 MET 82 1.752 0.058 2.322 700 H PHE 83 H PHE 83 4.956 1.100 4.452 701 HA PHE 83 HA PHE 83 6.088 -1.487 4.937 702 HB2 PHE 83 HB2 PHE 83 7.017 0.839 3.257 703 HB3 PHE 83 HB3 PHE 83 7.890 -0.686 3.359 704 HD1 PHE 83 HD2 PHE 83 5.912 -2.723 3.225 705 HD2 PHE 83 HD1 PHE 83 6.000 1.021 1.211 706 HE1 PHE 83 HE2 PHE 83 4.494 -3.655 1.441 707 HE2 PHE 83 HE1 PHE 83 4.587 0.100 -0.575 708 HZ PHE 83 HZ PHE 83 3.831 -2.241 -0.465 709 H ASN 84 H ASN 84 6.916 1.819 5.862 710 HA ASN 84 HA ASN 84 9.405 1.307 7.036 711 HB2 ASN 84 HB2 ASN 84 8.590 3.581 6.679 712 HB3 ASN 84 HB3 ASN 84 7.290 3.324 7.836 713 HD21 ASN 84 HD21 ASN 84 10.617 2.233 8.213 714 HD22 ASN 84 HD22 ASN 84 10.985 3.243 9.570 715 H TYR 85 H TYR 85 6.131 1.118 8.369 716 HA TYR 85 HA TYR 85 6.840 0.424 10.995 717 HB2 TYR 85 HB2 TYR 85 4.579 1.128 10.447 718 HB3 TYR 85 HB3 TYR 85 4.363 -0.267 9.394 719 HD1 TYR 85 HD1 TYR 85 4.632 0.838 12.897 720 HD2 TYR 85 HD2 TYR 85 3.845 -2.434 10.293 721 HE1 TYR 85 HE1 TYR 85 3.801 -0.476 14.803 722 HE2 TYR 85 HE2 TYR 85 3.004 -3.747 12.189 723 HH TYR 85 HH TYR 85 2.105 -2.506 15.036 724 H ALA 86 H ALA 86 6.433 -1.512 8.087 725 HA ALA 86 HA ALA 86 6.514 -4.024 9.412 726 HB1 ALA 86 HB1 ALA 86 6.769 -4.990 7.210 727 HB2 ALA 86 HB2 ALA 86 7.179 -3.415 6.533 728 HB3 ALA 86 HB3 ALA 86 5.558 -3.710 7.160 729 H ILE 87 H ILE 87 9.018 -1.994 7.902 730 HA ILE 87 HA ILE 87 11.145 -3.840 8.360 731 HB ILE 87 HB ILE 87 11.321 -0.824 8.150 732 HG12 ILE 87 HG12 ILE 87 11.548 -2.968 6.026 733 HG13 ILE 87 HG13 ILE 87 10.266 -1.768 6.160 734 HG21 ILE 87 HG21 ILE 87 13.418 -2.968 7.804 735 HG22 ILE 87 HG22 ILE 87 13.311 -1.815 9.134 736 HG23 ILE 87 HG23 ILE 87 13.656 -1.247 7.501 737 HD11 ILE 87 HD11 ILE 87 11.881 -1.205 4.423 738 HD12 ILE 87 HD12 ILE 87 13.166 -1.174 5.631 739 HD13 ILE 87 HD13 ILE 87 11.858 0.004 5.707 740 H LYS 88 H LYS 88 9.808 -1.124 10.156 741 HA LYS 88 HA LYS 88 11.455 -1.118 12.393 742 HB2 LYS 88 HB2 LYS 88 9.782 0.598 11.926 743 HB3 LYS 88 HB3 LYS 88 8.490 -0.569 12.119 744 HG2 LYS 88 HG2 LYS 88 10.319 0.031 14.401 745 HG3 LYS 88 HG3 LYS 88 8.988 1.119 14.005 746 HD2 LYS 88 HD2 LYS 88 7.639 -1.170 13.985 747 HD3 LYS 88 HD3 LYS 88 8.936 -1.650 15.081 748 HE2 LYS 88 HE2 LYS 88 7.043 0.668 15.394 749 HE3 LYS 88 HE3 LYS 88 7.097 -0.798 16.366 750 HZ1 LYS 88 HZ1 LYS 88 9.305 -0.144 17.139 751 HZ2 LYS 88 HZ2 LYS 88 8.144 1.031 17.516 752 HZ3 LYS 88 HZ3 LYS 88 9.210 1.284 16.227 753 H ARG 89 H ARG 89 8.614 -3.091 11.655 754 HA ARG 89 HA ARG 89 8.861 -4.593 14.123 755 HB2 ARG 89 HB2 ARG 89 6.669 -3.933 12.940 756 HB3 ARG 89 HB3 ARG 89 7.026 -5.232 11.812 757 HG2 ARG 89 HG2 ARG 89 6.885 -6.872 13.528 758 HG3 ARG 89 HG3 ARG 89 6.823 -5.635 14.778 759 HD2 ARG 89 HD2 ARG 89 4.659 -4.869 13.901 760 HD3 ARG 89 HD3 ARG 89 4.720 -6.139 12.679 761 HE ARG 89 HE ARG 89 4.491 -7.766 14.427 762 HH11 ARG 89 HH11 ARG 89 3.902 -4.449 15.399 763 HH12 ARG 89 HH12 ARG 89 3.105 -4.897 16.873 764 HH21 ARG 89 HH21 ARG 89 3.424 -8.342 16.354 765 HH22 ARG 89 HH22 ARG 89 2.792 -7.097 17.402 766 H HIS 90 H HIS 90 10.828 -4.560 11.774 767 HA HIS 90 HA HIS 90 12.315 -5.891 10.760 768 HB2 HIS 90 HB2 HIS 90 13.282 -7.651 12.045 769 HB3 HIS 90 HB3 HIS 90 12.795 -6.380 13.153 770 HD1 HIS 90 HD1 HIS 90 11.202 -7.017 15.014 771 HD2 HIS 90 HD2 HIS 90 11.663 -10.021 12.180 772 HE1 HIS 90 HE1 HIS 90 10.148 -9.069 16.020 773 HE2 HIS 90 HE2 HIS 90 10.539 -10.905 14.338 774 H ILE 91 H ILE 91 9.557 -6.250 9.874 775 HA ILE 91 HA ILE 91 9.312 -9.083 9.315 776 HB ILE 91 HB ILE 91 7.621 -6.833 8.216 777 HG12 ILE 91 HG12 ILE 91 7.151 -8.583 10.646 778 HG13 ILE 91 HG13 ILE 91 7.597 -6.880 10.694 779 HG21 ILE 91 HG21 ILE 91 7.148 -9.805 8.434 780 HG22 ILE 91 HG22 ILE 91 7.464 -8.904 6.953 781 HG23 ILE 91 HG23 ILE 91 5.974 -8.624 7.853 782 HD11 ILE 91 HD11 ILE 91 5.224 -7.181 11.086 783 HD12 ILE 91 HD12 ILE 91 5.060 -8.012 9.539 784 HD13 ILE 91 HD13 ILE 91 5.502 -6.304 9.581 785 H ILE 92 H ILE 92 9.781 -6.112 7.377 786 HA ILE 92 HA ILE 92 10.773 -7.843 5.205 787 HB ILE 92 HB ILE 92 10.049 -6.155 3.583 788 HG12 ILE 92 HG12 ILE 92 8.672 -4.805 5.917 789 HG13 ILE 92 HG13 ILE 92 10.128 -4.204 5.132 790 HG21 ILE 92 HG21 ILE 92 7.639 -6.580 3.725 791 HG22 ILE 92 HG22 ILE 92 7.846 -7.137 5.385 792 HG23 ILE 92 HG23 ILE 92 8.590 -8.026 4.056 793 HD11 ILE 92 HD11 ILE 92 8.157 -3.027 4.355 794 HD12 ILE 92 HD12 ILE 92 7.437 -4.550 3.834 795 HD13 ILE 92 HD13 ILE 92 8.894 -3.948 3.042 796 H GLU 93 H GLU 93 12.404 -6.968 3.853 797 HA GLU 93 HA GLU 93 14.059 -4.915 5.163 798 HB2 GLU 93 HB2 GLU 93 15.111 -7.107 5.218 799 HB3 GLU 93 HB3 GLU 93 14.864 -7.305 3.490 800 HG2 GLU 93 HG2 GLU 93 16.378 -5.395 3.098 801 HG3 GLU 93 HG3 GLU 93 16.678 -5.320 4.834 802 H TYR 94 H TYR 94 12.312 -5.764 2.369 803 HA TYR 94 HA TYR 94 13.968 -4.523 0.411 804 HB2 TYR 94 HB2 TYR 94 11.071 -5.371 0.275 805 HB3 TYR 94 HB3 TYR 94 12.040 -4.873 -1.108 806 HD1 TYR 94 HD1 TYR 94 13.903 -6.298 -1.886 807 HD2 TYR 94 HD2 TYR 94 11.292 -7.557 1.229 808 HE1 TYR 94 HE1 TYR 94 14.681 -8.610 -2.175 809 HE2 TYR 94 HE2 TYR 94 12.070 -9.875 0.952 810 HH TYR 94 HH TYR 94 14.823 -10.695 -0.730 811 H ASN 95 H ASN 95 10.976 -3.513 2.044 812 HA ASN 95 HA ASN 95 9.675 -1.709 1.872 813 HB2 ASN 95 HB2 ASN 95 11.823 -0.887 3.049 814 HB3 ASN 95 HB3 ASN 95 12.169 -0.075 1.520 815 HD21 ASN 95 HD21 ASN 95 10.669 1.450 0.739 816 HD22 ASN 95 HD22 ASN 95 9.603 2.249 1.819 817 HA PRO 96 HA PRO 96 10.177 -1.895 -2.718 818 HB2 PRO 96 HB2 PRO 96 7.615 -2.554 -3.278 819 HB3 PRO 96 HB3 PRO 96 8.825 -3.743 -2.775 820 HG2 PRO 96 HG2 PRO 96 6.715 -2.380 -1.141 821 HG3 PRO 96 HG3 PRO 96 7.183 -4.091 -1.159 822 HD2 PRO 96 HD2 PRO 96 8.035 -2.375 0.741 823 HD3 PRO 96 HD3 PRO 96 9.034 -3.727 0.168 824 H ALA 97 H ALA 97 8.578 0.221 -0.685 825 HA ALA 97 HA ALA 97 7.098 1.714 -2.615 826 HB1 ALA 97 HB1 ALA 97 6.973 3.445 -0.887 827 HB2 ALA 97 HB2 ALA 97 8.166 2.573 0.075 828 HB3 ALA 97 HB3 ALA 97 6.583 1.857 -0.228 829 H ALA 98 H ALA 98 10.391 1.432 -1.774 830 HA ALA 98 HA ALA 98 11.266 4.001 -2.677 831 HB1 ALA 98 HB1 ALA 98 13.513 3.066 -2.460 832 HB2 ALA 98 HB2 ALA 98 12.825 1.457 -2.229 833 HB3 ALA 98 HB3 ALA 98 12.538 2.720 -1.034 834 H ALA 99 H ALA 99 10.099 1.316 -4.272 835 HA ALA 99 HA ALA 99 11.783 1.351 -6.584 836 HB1 ALA 99 HB1 ALA 99 10.483 -0.629 -5.986 837 HB2 ALA 99 HB2 ALA 99 10.081 -0.064 -7.606 838 HB3 ALA 99 HB3 ALA 99 8.988 0.265 -6.263 839 H PHE 100 H PHE 100 9.347 3.372 -5.413 840 HA PHE 100 HA PHE 100 9.180 4.686 -8.044 841 HB2 PHE 100 HB2 PHE 100 7.022 3.553 -7.189 842 HB3 PHE 100 HB3 PHE 100 6.981 4.831 -5.979 843 HD1 PHE 100 HD2 PHE 100 6.857 7.228 -6.754 844 HD2 PHE 100 HD1 PHE 100 6.262 3.920 -9.368 845 HE1 PHE 100 HE2 PHE 100 5.731 8.707 -8.363 846 HE2 PHE 100 HE1 PHE 100 5.135 5.396 -10.981 847 HZ PHE 100 HZ PHE 100 4.867 7.794 -10.478 848 H ASP 101 H ASP 101 8.248 5.416 -4.700 849 HA ASP 101 HA ASP 101 8.819 7.017 -3.222 850 HB2 ASP 101 HB2 ASP 101 11.120 6.264 -3.609 851 HB3 ASP 101 HB3 ASP 101 11.266 7.389 -4.957 852 HA PRO 102 HA PRO 102 7.015 10.593 -5.180 853 HB2 PRO 102 HB2 PRO 102 6.477 11.960 -2.913 854 HB3 PRO 102 HB3 PRO 102 5.528 10.559 -3.423 855 HG2 PRO 102 HG2 PRO 102 7.727 10.719 -1.397 856 HG3 PRO 102 HG3 PRO 102 6.182 9.856 -1.304 857 HD2 PRO 102 HD2 PRO 102 8.535 8.636 -1.918 858 HD3 PRO 102 HD3 PRO 102 6.963 8.072 -2.521 859 H GLY 103 H GLY 103 9.807 10.571 -3.133 860 HA2 GLY 103 HA2 GLY 103 11.658 11.909 -3.078 861 HA3 GLY 103 HA3 GLY 103 11.063 12.662 -4.549 862 H ASP 104 H ASP 104 11.053 14.763 -4.277 863 HA ASP 104 HA ASP 104 10.355 15.889 -1.646 864 HB2 ASP 104 HB2 ASP 104 11.613 17.841 -2.268 865 HB3 ASP 104 HB3 ASP 104 12.603 16.437 -2.655 866 H ALA 105 H ALA 105 8.709 15.075 -4.196 867 HA ALA 105 HA ALA 105 7.691 17.260 -5.513 868 HB1 ALA 105 HB1 ALA 105 6.145 14.790 -4.752 869 HB2 ALA 105 HB2 ALA 105 7.246 14.919 -6.123 870 HB3 ALA 105 HB3 ALA 105 5.778 15.895 -6.076 871 H GLY 106 H GLY 106 6.750 19.021 -4.808 872 HA2 GLY 106 HA2 GLY 106 4.999 18.865 -2.433 873 HA3 GLY 106 HA3 GLY 106 5.869 20.308 -2.942 874 H GLY 107 H GLY 107 2.883 19.232 -2.688 875 HA2 GLY 107 HA2 GLY 107 1.992 19.857 -5.403 876 HA3 GLY 107 HA3 GLY 107 1.014 19.144 -4.132 877 H LYS 108 H LYS 108 2.361 21.484 -2.452 878 HA LYS 108 HA LYS 108 1.606 23.401 -1.571 879 HB2 LYS 108 HB2 LYS 108 0.865 23.837 -4.444 880 HB3 LYS 108 HB3 LYS 108 0.466 25.026 -3.210 881 HG2 LYS 108 HG2 LYS 108 3.233 24.011 -3.837 882 HG3 LYS 108 HG3 LYS 108 2.559 25.564 -4.341 883 HD2 LYS 108 HD2 LYS 108 3.054 24.641 -1.508 884 HD3 LYS 108 HD3 LYS 108 3.938 25.892 -2.382 885 HE2 LYS 108 HE2 LYS 108 1.802 27.141 -2.597 886 HE3 LYS 108 HE3 LYS 108 1.050 25.952 -1.546 887 HZ1 LYS 108 HZ1 LYS 108 2.761 26.548 0.145 888 HZ2 LYS 108 HZ2 LYS 108 1.659 27.784 -0.214 889 HZ3 LYS 108 HZ3 LYS 108 3.231 27.841 -0.851 890 H LEU 109 H LEU 109 0.056 23.584 -0.175 891 HA LEU 109 HA LEU 109 -2.329 22.011 -0.474 892 HB2 LEU 109 HB2 LEU 109 -0.932 22.497 1.655 893 HB3 LEU 109 HB3 LEU 109 -1.832 23.995 1.729 894 HG LEU 109 HG LEU 109 -2.653 22.027 3.153 895 HD11 LEU 109 HD11 LEU 109 -4.565 23.421 1.290 896 HD12 LEU 109 HD12 LEU 109 -3.978 24.025 2.841 897 HD13 LEU 109 HD13 LEU 109 -5.010 22.595 2.783 898 HD21 LEU 109 HD21 LEU 109 -3.711 21.141 0.473 899 HD22 LEU 109 HD22 LEU 109 -4.123 20.438 2.038 900 HD23 LEU 109 HD23 LEU 109 -2.475 20.312 1.422 901 H GLU 110 H GLU 110 -1.493 25.398 -0.719 902 HA GLU 110 HA GLU 110 -4.163 26.346 -0.928 903 HB2 GLU 110 HB2 GLU 110 -1.610 27.558 -2.004 904 HB3 GLU 110 HB3 GLU 110 -3.161 28.377 -1.914 905 HG2 GLU 110 HG2 GLU 110 -2.157 29.177 -0.048 906 HG3 GLU 110 HG3 GLU 110 -2.983 27.777 0.624 907 H HIS 111 H HIS 111 -5.334 25.182 -2.353 908 HA HIS 111 HA HIS 111 -4.334 24.956 -5.103 909 HB2 HIS 111 HB2 HIS 111 -5.120 22.916 -3.656 910 HB3 HIS 111 HB3 HIS 111 -6.735 23.469 -4.088 911 HD1 HIS 111 HD1 HIS 111 -3.500 22.758 -5.980 912 HD2 HIS 111 HD2 HIS 111 -7.612 22.229 -6.320 913 HE1 HIS 111 HE1 HIS 111 -3.848 21.495 -8.128 914 HE2 HIS 111 HE2 HIS 111 -6.317 21.004 -8.199 915 H HIS 112 H HIS 112 -7.410 25.522 -3.358 916 HA HIS 112 HA HIS 112 -7.817 27.790 -5.164 917 HB2 HIS 112 HB2 HIS 112 -9.215 25.759 -5.865 918 HB3 HIS 112 HB3 HIS 112 -10.127 26.019 -4.380 919 HD1 HIS 112 HD1 HIS 112 -9.542 27.444 -7.777 920 HD2 HIS 112 HD2 HIS 112 -11.783 28.300 -4.379 921 HE1 HIS 112 HE1 HIS 112 -11.181 29.213 -8.472 922 HE2 HIS 112 HE2 HIS 112 -12.345 29.886 -6.347 923 H HIS 113 H HIS 113 -9.508 26.206 -2.436 924 HA HIS 113 HA HIS 113 -9.967 26.892 -0.318 925 HB2 HIS 113 HB2 HIS 113 -7.747 28.845 -0.919 926 HB3 HIS 113 HB3 HIS 113 -8.573 28.802 0.632 927 HD1 HIS 113 HD1 HIS 113 -6.803 27.915 2.132 928 HD2 HIS 113 HD2 HIS 113 -7.210 25.652 -1.336 929 HE1 HIS 113 HE1 HIS 113 -5.282 25.937 2.432 930 HE2 HIS 113 HE2 HIS 113 -5.421 24.669 0.257 931 H HIS 114 H HIS 114 -10.417 29.048 0.999 932 HA HIS 114 HA HIS 114 -11.546 30.960 1.355 933 HB2 HIS 114 HB2 HIS 114 -10.143 31.803 -0.593 934 HB3 HIS 114 HB3 HIS 114 -11.550 31.512 -1.610 935 HD1 HIS 114 HD1 HIS 114 -10.053 33.973 0.618 936 HD2 HIS 114 HD2 HIS 114 -13.861 33.128 -0.821 937 HE1 HIS 114 HE1 HIS 114 -11.415 36.047 1.034 938 HE2 HIS 114 HE2 HIS 114 -13.767 35.408 0.397 939 H HIS 115 H HIS 115 -12.803 29.709 -1.745 940 HA HIS 115 HA HIS 115 -14.897 29.260 -2.483 941 HB2 HIS 115 HB2 HIS 115 -15.486 29.078 0.471 942 HB3 HIS 115 HB3 HIS 115 -16.720 28.826 -0.757 943 HD1 HIS 115 HD1 HIS 115 -16.672 26.633 -2.064 944 HD2 HIS 115 HD2 HIS 115 -13.562 27.014 0.672 945 HE1 HIS 115 HE1 HIS 115 -15.626 24.348 -1.899 946 HE2 HIS 115 HE2 HIS 115 -13.926 24.554 -0.051 947 H HIS 116 H HIS 116 -15.837 30.827 -3.573 948 HA HIS 116 HA HIS 116 -17.626 32.639 -2.310 949 HB2 HIS 116 HB2 HIS 116 -16.596 34.738 -2.696 950 HB3 HIS 116 HB3 HIS 116 -15.373 33.756 -1.907 951 HD1 HIS 116 HD1 HIS 116 -15.830 35.982 -4.663 952 HD2 HIS 116 HD2 HIS 116 -13.481 32.622 -3.956 953 HE1 HIS 116 HE1 HIS 116 -13.979 36.077 -6.360 954 HE2 HIS 116 HE2 HIS 116 -12.482 34.127 -5.815 Start of MODEL 11 1 H1 MET 1 H1 MET 1 4.554 -13.865 14.613 2 H2 MET 1 H2 MET 1 6.204 -14.031 14.262 3 H3 MET 1 H3 MET 1 5.456 -15.099 15.346 4 HA MET 1 HA MET 1 4.818 -14.859 12.465 5 HB2 MET 1 HB2 MET 1 6.383 -16.959 13.987 6 HB3 MET 1 HB3 MET 1 5.783 -17.180 12.351 7 HG2 MET 1 HG2 MET 1 8.085 -16.595 12.236 8 HG3 MET 1 HG3 MET 1 7.139 -15.236 11.639 9 HE1 MET 1 HE1 MET 1 10.313 -13.638 13.377 10 HE2 MET 1 HE2 MET 1 9.378 -13.709 11.884 11 HE3 MET 1 HE3 MET 1 10.218 -15.147 12.467 12 H ALA 2 H ALA 2 3.438 -16.641 11.729 13 HA ALA 2 HA ALA 2 1.553 -17.466 13.822 14 HB1 ALA 2 HB1 ALA 2 1.216 -17.491 10.824 15 HB2 ALA 2 HB2 ALA 2 0.586 -16.261 11.920 16 HB3 ALA 2 HB3 ALA 2 -0.016 -17.917 12.010 17 H GLU 3 H GLU 3 3.256 -18.985 14.481 18 HA GLU 3 HA GLU 3 3.998 -21.093 14.772 19 HB2 GLU 3 HB2 GLU 3 1.725 -21.856 14.436 20 HB3 GLU 3 HB3 GLU 3 1.924 -21.791 12.691 21 HG2 GLU 3 HG2 GLU 3 3.587 -23.561 12.800 22 HG3 GLU 3 HG3 GLU 3 3.428 -23.613 14.554 23 H LYS 4 H LYS 4 3.334 -20.980 11.275 24 HA LYS 4 HA LYS 4 5.905 -22.274 10.827 25 HB2 LYS 4 HB2 LYS 4 5.049 -22.521 8.481 26 HB3 LYS 4 HB3 LYS 4 4.072 -23.309 9.713 27 HG2 LYS 4 HG2 LYS 4 2.454 -21.515 9.636 28 HG3 LYS 4 HG3 LYS 4 3.463 -20.621 8.496 29 HD2 LYS 4 HD2 LYS 4 3.209 -22.433 6.865 30 HD3 LYS 4 HD3 LYS 4 2.184 -23.309 8.004 31 HE2 LYS 4 HE2 LYS 4 0.520 -21.594 7.930 32 HE3 LYS 4 HE3 LYS 4 1.573 -20.540 6.988 33 HZ1 LYS 4 HZ1 LYS 4 -0.083 -21.588 5.591 34 HZ2 LYS 4 HZ2 LYS 4 0.436 -23.130 6.072 35 HZ3 LYS 4 HZ3 LYS 4 1.468 -22.132 5.169 36 H ASN 5 H ASN 5 4.264 -19.237 9.991 37 HA ASN 5 HA ASN 5 6.779 -18.121 9.072 38 HB2 ASN 5 HB2 ASN 5 5.744 -19.424 7.139 39 HB3 ASN 5 HB3 ASN 5 4.451 -18.230 7.147 40 HD21 ASN 5 HD21 ASN 5 7.822 -17.512 7.814 41 HD22 ASN 5 HD22 ASN 5 8.092 -16.591 6.368 42 H ALA 6 H ALA 6 6.343 -15.794 8.205 43 HA ALA 6 HA ALA 6 4.809 -14.403 10.202 44 HB1 ALA 6 HB1 ALA 6 6.973 -13.553 9.409 45 HB2 ALA 6 HB2 ALA 6 5.679 -12.379 9.171 46 HB3 ALA 6 HB3 ALA 6 6.282 -13.313 7.802 47 H TYR 7 H TYR 7 3.354 -12.542 9.471 48 HA TYR 7 HA TYR 7 1.292 -13.747 7.855 49 HB2 TYR 7 HB2 TYR 7 -0.053 -11.724 8.537 50 HB3 TYR 7 HB3 TYR 7 0.481 -12.768 9.842 51 HD1 TYR 7 HD2 TYR 7 2.272 -12.018 11.374 52 HD2 TYR 7 HD1 TYR 7 0.678 -9.442 8.387 53 HE1 TYR 7 HE2 TYR 7 3.203 -10.077 12.561 54 HE2 TYR 7 HE1 TYR 7 1.602 -7.492 9.568 55 HH TYR 7 HH TYR 7 2.304 -6.891 11.893 56 H THR 8 H THR 8 -0.032 -11.933 6.561 57 HA THR 8 HA THR 8 1.813 -11.237 4.403 58 HB THR 8 HB THR 8 -0.264 -11.066 3.040 59 HG1 THR 8 HG1 THR 8 -2.206 -11.902 4.082 60 HG21 THR 8 HG21 THR 8 0.965 -13.181 3.156 61 HG22 THR 8 HG22 THR 8 -0.772 -13.466 3.030 62 HG23 THR 8 HG23 THR 8 0.042 -13.646 4.585 63 H VAL 9 H VAL 9 1.059 -9.258 3.063 64 HA VAL 9 HA VAL 9 1.111 -6.964 4.714 65 HB VAL 9 HB VAL 9 0.673 -5.676 2.611 66 HG11 VAL 9 HG11 VAL 9 2.939 -6.141 3.317 67 HG12 VAL 9 HG12 VAL 9 2.825 -6.258 1.561 68 HG13 VAL 9 HG13 VAL 9 2.886 -7.724 2.539 69 HG21 VAL 9 HG21 VAL 9 0.737 -8.405 1.326 70 HG22 VAL 9 HG22 VAL 9 0.703 -6.857 0.480 71 HG23 VAL 9 HG23 VAL 9 -0.678 -7.360 1.453 72 H ALA 10 H ALA 10 -1.478 -8.848 3.355 73 HA ALA 10 HA ALA 10 -3.570 -6.986 3.626 74 HB1 ALA 10 HB1 ALA 10 -5.056 -8.923 3.694 75 HB2 ALA 10 HB2 ALA 10 -3.671 -9.983 3.955 76 HB3 ALA 10 HB3 ALA 10 -3.833 -9.103 2.436 77 H GLN 11 H GLN 11 -2.150 -9.293 5.896 78 HA GLN 11 HA GLN 11 -3.872 -8.519 8.058 79 HB2 GLN 11 HB2 GLN 11 -1.296 -10.108 8.057 80 HB3 GLN 11 HB3 GLN 11 -2.357 -9.917 9.445 81 HG2 GLN 11 HG2 GLN 11 -2.975 -11.321 6.857 82 HG3 GLN 11 HG3 GLN 11 -2.768 -12.047 8.451 83 HE21 GLN 11 HE21 GLN 11 -4.414 -11.850 9.981 84 HE22 GLN 11 HE22 GLN 11 -6.018 -11.356 9.541 85 H LEU 12 H LEU 12 -0.685 -7.649 6.899 86 HA LEU 12 HA LEU 12 0.146 -6.083 9.084 87 HB2 LEU 12 HB2 LEU 12 1.643 -6.788 7.263 88 HB3 LEU 12 HB3 LEU 12 0.775 -5.754 6.146 89 HG LEU 12 HG LEU 12 1.483 -3.782 7.499 90 HD11 LEU 12 HD11 LEU 12 1.865 -4.881 9.625 91 HD12 LEU 12 HD12 LEU 12 3.336 -4.074 9.083 92 HD13 LEU 12 HD13 LEU 12 3.181 -5.824 8.928 93 HD21 LEU 12 HD21 LEU 12 3.795 -3.779 6.693 94 HD22 LEU 12 HD22 LEU 12 2.682 -4.408 5.479 95 HD23 LEU 12 HD23 LEU 12 3.695 -5.517 6.406 96 H ALA 13 H ALA 13 -1.635 -5.241 6.128 97 HA ALA 13 HA ALA 13 -1.950 -2.498 6.709 98 HB1 ALA 13 HB1 ALA 13 -3.699 -2.530 4.997 99 HB2 ALA 13 HB2 ALA 13 -3.679 -4.295 5.010 100 HB3 ALA 13 HB3 ALA 13 -2.260 -3.400 4.469 101 H ASP 14 H ASP 14 -3.679 -5.336 7.720 102 HA ASP 14 HA ASP 14 -5.988 -4.031 8.741 103 HB2 ASP 14 HB2 ASP 14 -5.935 -6.445 8.272 104 HB3 ASP 14 HB3 ASP 14 -4.730 -6.673 9.535 105 H GLU 15 H GLU 15 -2.966 -5.149 10.208 106 HA GLU 15 HA GLU 15 -3.444 -4.107 12.789 107 HB2 GLU 15 HB2 GLU 15 -1.778 -5.840 12.332 108 HB3 GLU 15 HB3 GLU 15 -0.851 -4.715 11.354 109 HG2 GLU 15 HG2 GLU 15 -0.165 -3.485 13.218 110 HG3 GLU 15 HG3 GLU 15 -1.405 -4.197 14.252 111 H TYR 16 H TYR 16 -1.937 -2.812 9.898 112 HA TYR 16 HA TYR 16 -1.061 -0.338 10.888 113 HB2 TYR 16 HB2 TYR 16 -0.350 -1.162 8.737 114 HB3 TYR 16 HB3 TYR 16 -2.005 -1.207 8.150 115 HD1 TYR 16 HD2 TYR 16 0.793 1.026 9.053 116 HD2 TYR 16 HD1 TYR 16 -3.035 0.724 7.225 117 HE1 TYR 16 HE2 TYR 16 1.082 3.269 8.086 118 HE2 TYR 16 HE1 TYR 16 -2.754 2.962 6.248 119 HH TYR 16 HH TYR 16 -1.452 5.021 6.707 120 H PHE 17 H PHE 17 -4.178 -1.384 9.607 121 HA PHE 17 HA PHE 17 -5.436 1.108 9.452 122 HB2 PHE 17 HB2 PHE 17 -6.319 -0.947 8.409 123 HB3 PHE 17 HB3 PHE 17 -6.671 -1.605 10.001 124 HD1 PHE 17 HD1 PHE 17 -7.665 0.835 7.469 125 HD2 PHE 17 HD2 PHE 17 -8.575 -0.847 11.271 126 HE1 PHE 17 HE1 PHE 17 -9.907 1.841 7.375 127 HE2 PHE 17 HE2 PHE 17 -10.817 0.160 11.182 128 HZ PHE 17 HZ PHE 17 -11.488 1.504 9.235 129 H GLU 18 H GLU 18 -5.508 -1.295 12.088 130 HA GLU 18 HA GLU 18 -7.193 0.283 13.735 131 HB2 GLU 18 HB2 GLU 18 -6.632 -1.344 15.512 132 HB3 GLU 18 HB3 GLU 18 -7.152 -2.108 14.017 133 HG2 GLU 18 HG2 GLU 18 -4.826 -2.581 13.447 134 HG3 GLU 18 HG3 GLU 18 -4.306 -1.820 14.950 135 H ARG 19 H ARG 19 -3.806 0.314 13.167 136 HA ARG 19 HA ARG 19 -3.158 1.682 15.626 137 HB2 ARG 19 HB2 ARG 19 -1.666 0.628 13.323 138 HB3 ARG 19 HB3 ARG 19 -1.003 2.102 14.008 139 HG2 ARG 19 HG2 ARG 19 0.060 0.167 14.982 140 HG3 ARG 19 HG3 ARG 19 -0.879 1.023 16.203 141 HD2 ARG 19 HD2 ARG 19 -2.627 -0.610 16.095 142 HD3 ARG 19 HD3 ARG 19 -1.885 -1.387 14.698 143 HE ARG 19 HE ARG 19 -0.137 -1.358 16.958 144 HH11 ARG 19 HH11 ARG 19 -2.888 -2.998 15.570 145 HH12 ARG 19 HH12 ARG 19 -2.549 -4.519 16.327 146 HH21 ARG 19 HH21 ARG 19 0.333 -3.377 17.977 147 HH22 ARG 19 HH22 ARG 19 -0.718 -4.735 17.696 148 H MET 20 H MET 20 -3.218 2.623 12.159 149 HA MET 20 HA MET 20 -2.668 5.363 13.017 150 HB2 MET 20 HB2 MET 20 -1.256 4.343 11.273 151 HB3 MET 20 HB3 MET 20 -2.668 4.200 10.232 152 HG2 MET 20 HG2 MET 20 -2.886 6.590 10.118 153 HG3 MET 20 HG3 MET 20 -1.594 6.801 11.297 154 HE1 MET 20 HE1 MET 20 1.561 5.635 9.332 155 HE2 MET 20 HE2 MET 20 0.555 4.656 10.399 156 HE3 MET 20 HE3 MET 20 0.940 6.321 10.832 157 H ILE 21 H ILE 21 -5.266 3.514 11.602 158 HA ILE 21 HA ILE 21 -6.715 5.892 10.722 159 HB ILE 21 HB ILE 21 -7.742 3.046 10.784 160 HG12 ILE 21 HG12 ILE 21 -5.611 3.119 9.547 161 HG13 ILE 21 HG13 ILE 21 -6.969 2.831 8.465 162 HG21 ILE 21 HG21 ILE 21 -9.184 3.819 8.952 163 HG22 ILE 21 HG22 ILE 21 -8.502 5.438 9.104 164 HG23 ILE 21 HG23 ILE 21 -9.446 4.751 10.426 165 HD11 ILE 21 HD11 ILE 21 -5.564 5.459 8.875 166 HD12 ILE 21 HD12 ILE 21 -6.927 5.176 7.793 167 HD13 ILE 21 HD13 ILE 21 -5.381 4.382 7.491 168 H ALA 22 H ALA 22 -5.997 5.221 13.589 169 HA ALA 22 HA ALA 22 -8.700 5.366 14.736 170 HB1 ALA 22 HB1 ALA 22 -7.300 3.560 15.611 171 HB2 ALA 22 HB2 ALA 22 -7.679 4.745 16.860 172 HB3 ALA 22 HB3 ALA 22 -6.085 4.740 16.104 173 H GLY 23 H GLY 23 -6.105 7.274 13.839 174 HA2 GLY 23 HA2 GLY 23 -6.243 9.146 16.058 175 HA3 GLY 23 HA3 GLY 23 -5.215 9.281 14.638 176 H ARG 24 H ARG 24 -6.428 9.737 12.565 177 HA ARG 24 HA ARG 24 -8.952 11.056 12.822 178 HB2 ARG 24 HB2 ARG 24 -8.255 13.201 11.928 179 HB3 ARG 24 HB3 ARG 24 -7.400 12.884 13.429 180 HG2 ARG 24 HG2 ARG 24 -5.404 12.941 12.434 181 HG3 ARG 24 HG3 ARG 24 -5.961 12.005 11.044 182 HD2 ARG 24 HD2 ARG 24 -6.983 13.971 10.083 183 HD3 ARG 24 HD3 ARG 24 -6.559 14.918 11.504 184 HE ARG 24 HE ARG 24 -4.197 13.856 10.474 185 HH11 ARG 24 HH11 ARG 24 -6.688 16.122 9.503 186 HH12 ARG 24 HH12 ARG 24 -5.630 17.035 8.472 187 HH21 ARG 24 HH21 ARG 24 -2.806 15.056 9.137 188 HH22 ARG 24 HH22 ARG 24 -3.416 16.428 8.257 189 H TRP 25 H TRP 25 -10.041 10.529 11.132 190 HA TRP 25 HA TRP 25 -8.762 10.194 8.555 191 HB2 TRP 25 HB2 TRP 25 -9.593 7.932 8.221 192 HB3 TRP 25 HB3 TRP 25 -8.555 7.995 9.635 193 HD1 TRP 25 HD1 TRP 25 -11.828 6.776 8.516 194 HE1 TRP 25 HE1 TRP 25 -13.252 5.973 10.507 195 HE3 TRP 25 HE3 TRP 25 -9.066 8.746 12.328 196 HZ2 TRP 25 HZ2 TRP 25 -13.209 6.158 13.315 197 HZ3 TRP 25 HZ3 TRP 25 -9.828 8.391 14.640 198 HH2 TRP 25 HH2 TRP 25 -11.852 7.132 15.116 199 H LYS 26 H LYS 26 -11.811 10.054 10.387 200 HA LYS 26 HA LYS 26 -13.816 11.053 10.017 201 HB2 LYS 26 HB2 LYS 26 -12.132 12.675 8.125 202 HB3 LYS 26 HB3 LYS 26 -13.846 12.985 8.351 203 HG2 LYS 26 HG2 LYS 26 -11.714 13.120 10.477 204 HG3 LYS 26 HG3 LYS 26 -12.518 14.490 9.706 205 HD2 LYS 26 HD2 LYS 26 -13.827 14.364 11.554 206 HD3 LYS 26 HD3 LYS 26 -14.671 13.160 10.580 207 HE2 LYS 26 HE2 LYS 26 -14.394 11.987 12.526 208 HE3 LYS 26 HE3 LYS 26 -12.932 11.524 11.663 209 HZ1 LYS 26 HZ1 LYS 26 -12.284 12.096 13.846 210 HZ2 LYS 26 HZ2 LYS 26 -13.187 13.532 13.831 211 HZ3 LYS 26 HZ3 LYS 26 -11.800 13.393 12.866 212 H HIS 27 H HIS 27 -12.822 8.782 8.245 213 HA HIS 27 HA HIS 27 -15.272 8.401 6.909 214 HB2 HIS 27 HB2 HIS 27 -14.283 8.168 4.559 215 HB3 HIS 27 HB3 HIS 27 -14.611 9.791 5.137 216 HD1 HIS 27 HD1 HIS 27 -12.784 11.414 4.788 217 HD2 HIS 27 HD2 HIS 27 -11.387 7.501 4.798 218 HE1 HIS 27 HE1 HIS 27 -10.348 11.564 4.196 219 HE2 HIS 27 HE2 HIS 27 -9.614 9.170 3.934 220 HA PRO 28 HA PRO 28 -12.973 4.844 8.535 221 HB2 PRO 28 HB2 PRO 28 -15.684 3.687 8.735 222 HB3 PRO 28 HB3 PRO 28 -14.458 3.906 9.986 223 HG2 PRO 28 HG2 PRO 28 -16.658 5.427 9.915 224 HG3 PRO 28 HG3 PRO 28 -15.088 6.091 10.411 225 HD2 PRO 28 HD2 PRO 28 -16.519 6.350 7.792 226 HD3 PRO 28 HD3 PRO 28 -15.613 7.573 8.709 227 H ASN 29 H ASN 29 -15.889 4.142 6.548 228 HA ASN 29 HA ASN 29 -14.627 1.773 5.530 229 HB2 ASN 29 HB2 ASN 29 -17.048 1.810 5.963 230 HB3 ASN 29 HB3 ASN 29 -17.248 3.074 4.753 231 HD21 ASN 29 HD21 ASN 29 -17.094 2.560 2.597 232 HD22 ASN 29 HD22 ASN 29 -17.119 0.936 2.029 233 H ILE 30 H ILE 30 -15.308 5.024 4.426 234 HA ILE 30 HA ILE 30 -14.830 4.764 1.708 235 HB ILE 30 HB ILE 30 -14.138 7.098 3.493 236 HG12 ILE 30 HG12 ILE 30 -16.498 6.491 3.586 237 HG13 ILE 30 HG13 ILE 30 -16.292 8.010 2.718 238 HG21 ILE 30 HG21 ILE 30 -14.219 8.463 1.459 239 HG22 ILE 30 HG22 ILE 30 -14.438 7.002 0.493 240 HG23 ILE 30 HG23 ILE 30 -12.937 7.255 1.385 241 HD11 ILE 30 HD11 ILE 30 -16.729 5.309 1.459 242 HD12 ILE 30 HD12 ILE 30 -16.550 6.839 0.599 243 HD13 ILE 30 HD13 ILE 30 -17.941 6.576 1.650 244 H VAL 31 H VAL 31 -12.465 5.384 4.311 245 HA VAL 31 HA VAL 31 -10.249 5.449 2.518 246 HB VAL 31 HB VAL 31 -10.217 6.506 4.791 247 HG11 VAL 31 HG11 VAL 31 -9.894 3.675 5.765 248 HG12 VAL 31 HG12 VAL 31 -11.262 4.742 6.083 249 HG13 VAL 31 HG13 VAL 31 -9.670 5.131 6.736 250 HG21 VAL 31 HG21 VAL 31 -7.883 5.945 5.277 251 HG22 VAL 31 HG22 VAL 31 -8.157 6.156 3.548 252 HG23 VAL 31 HG23 VAL 31 -8.007 4.535 4.224 253 H ARG 32 H ARG 32 -11.925 2.948 4.264 254 HA ARG 32 HA ARG 32 -9.902 0.963 4.004 255 HB2 ARG 32 HB2 ARG 32 -12.238 1.223 5.453 256 HB3 ARG 32 HB3 ARG 32 -12.630 -0.039 4.291 257 HG2 ARG 32 HG2 ARG 32 -10.096 -0.144 5.871 258 HG3 ARG 32 HG3 ARG 32 -11.621 -0.703 6.557 259 HD2 ARG 32 HD2 ARG 32 -11.793 -2.464 5.091 260 HD3 ARG 32 HD3 ARG 32 -10.801 -1.679 3.866 261 HE ARG 32 HE ARG 32 -9.065 -2.856 4.709 262 HH11 ARG 32 HH11 ARG 32 -11.265 -2.235 7.395 263 HH12 ARG 32 HH12 ARG 32 -10.239 -3.030 8.559 264 HH21 ARG 32 HH21 ARG 32 -7.755 -3.899 6.260 265 HH22 ARG 32 HH22 ARG 32 -8.278 -3.977 7.914 266 H SER 33 H SER 33 -12.740 1.882 2.114 267 HA SER 33 HA SER 33 -12.696 -0.212 0.252 268 HB2 SER 33 HB2 SER 33 -13.458 2.688 -0.194 269 HB3 SER 33 HB3 SER 33 -13.895 1.335 -1.237 270 HG SER 33 HG SER 33 -14.767 0.500 0.959 271 H ARG 34 H ARG 34 -10.834 2.765 0.481 272 HA ARG 34 HA ARG 34 -9.439 2.414 -1.981 273 HB2 ARG 34 HB2 ARG 34 -9.549 4.596 -0.832 274 HB3 ARG 34 HB3 ARG 34 -8.590 3.942 0.487 275 HG2 ARG 34 HG2 ARG 34 -6.750 3.522 -1.094 276 HG3 ARG 34 HG3 ARG 34 -7.710 4.268 -2.373 277 HD2 ARG 34 HD2 ARG 34 -7.746 6.363 -1.124 278 HD3 ARG 34 HD3 ARG 34 -6.804 5.614 0.165 279 HE ARG 34 HE ARG 34 -5.448 5.344 -2.310 280 HH11 ARG 34 HH11 ARG 34 -6.262 7.708 0.140 281 HH12 ARG 34 HH12 ARG 34 -4.888 8.719 -0.179 282 HH21 ARG 34 HH21 ARG 34 -3.618 6.674 -2.740 283 HH22 ARG 34 HH22 ARG 34 -3.384 8.135 -1.807 284 H ILE 35 H ILE 35 -8.751 1.570 1.393 285 HA ILE 35 HA ILE 35 -6.177 0.584 1.017 286 HB ILE 35 HB ILE 35 -8.280 -0.299 2.996 287 HG12 ILE 35 HG12 ILE 35 -5.909 1.565 3.273 288 HG13 ILE 35 HG13 ILE 35 -7.592 2.068 3.138 289 HG21 ILE 35 HG21 ILE 35 -6.418 -1.242 4.306 290 HG22 ILE 35 HG22 ILE 35 -5.324 -0.911 2.962 291 HG23 ILE 35 HG23 ILE 35 -6.640 -2.068 2.764 292 HD11 ILE 35 HD11 ILE 35 -6.399 0.449 5.379 293 HD12 ILE 35 HD12 ILE 35 -8.088 0.937 5.247 294 HD13 ILE 35 HD13 ILE 35 -6.830 2.158 5.436 295 H GLU 36 H GLU 36 -9.292 -1.104 0.697 296 HA GLU 36 HA GLU 36 -8.034 -3.635 0.205 297 HB2 GLU 36 HB2 GLU 36 -10.900 -2.783 -0.214 298 HB3 GLU 36 HB3 GLU 36 -10.306 -4.439 -0.255 299 HG2 GLU 36 HG2 GLU 36 -10.346 -2.582 2.109 300 HG3 GLU 36 HG3 GLU 36 -11.328 -4.025 1.865 301 H LYS 37 H LYS 37 -8.506 -0.940 -1.756 302 HA LYS 37 HA LYS 37 -8.527 -2.604 -4.174 303 HB2 LYS 37 HB2 LYS 37 -10.379 -1.073 -4.084 304 HB3 LYS 37 HB3 LYS 37 -9.314 0.275 -3.723 305 HG2 LYS 37 HG2 LYS 37 -8.832 -1.169 -6.257 306 HG3 LYS 37 HG3 LYS 37 -10.297 -0.190 -6.147 307 HD2 LYS 37 HD2 LYS 37 -7.493 0.772 -5.588 308 HD3 LYS 37 HD3 LYS 37 -8.413 1.082 -7.053 309 HE2 LYS 37 HE2 LYS 37 -10.110 2.261 -5.745 310 HE3 LYS 37 HE3 LYS 37 -9.184 1.953 -4.276 311 HZ1 LYS 37 HZ1 LYS 37 -8.690 4.139 -4.980 312 HZ2 LYS 37 HZ2 LYS 37 -8.412 3.654 -6.576 313 HZ3 LYS 37 HZ3 LYS 37 -7.320 3.201 -5.354 314 H ASP 38 H ASP 38 -6.984 0.215 -2.697 315 HA ASP 38 HA ASP 38 -4.911 0.456 -4.654 316 HB2 ASP 38 HB2 ASP 38 -5.538 1.711 -2.017 317 HB3 ASP 38 HB3 ASP 38 -3.892 1.829 -2.606 318 H ILE 39 H ILE 39 -4.994 -0.683 -1.289 319 HA ILE 39 HA ILE 39 -2.234 -1.483 -1.356 320 HB ILE 39 HB ILE 39 -4.292 -2.131 0.756 321 HG12 ILE 39 HG12 ILE 39 -4.245 0.280 0.416 322 HG13 ILE 39 HG13 ILE 39 -3.475 -0.128 1.944 323 HG21 ILE 39 HG21 ILE 39 -2.257 -3.446 0.917 324 HG22 ILE 39 HG22 ILE 39 -2.366 -2.296 2.249 325 HG23 ILE 39 HG23 ILE 39 -1.286 -1.974 0.893 326 HD11 ILE 39 HD11 ILE 39 -1.281 0.139 0.906 327 HD12 ILE 39 HD12 ILE 39 -2.248 1.608 0.783 328 HD13 ILE 39 HD13 ILE 39 -2.059 0.556 -0.620 329 H LYS 40 H LYS 40 -5.323 -3.011 -1.852 330 HA LYS 40 HA LYS 40 -3.939 -5.599 -2.132 331 HB2 LYS 40 HB2 LYS 40 -6.791 -5.063 -1.291 332 HB3 LYS 40 HB3 LYS 40 -6.195 -6.653 -1.728 333 HG2 LYS 40 HG2 LYS 40 -6.164 -6.620 0.602 334 HG3 LYS 40 HG3 LYS 40 -4.486 -6.346 0.136 335 HD2 LYS 40 HD2 LYS 40 -4.653 -4.019 0.604 336 HD3 LYS 40 HD3 LYS 40 -6.404 -4.117 0.790 337 HE2 LYS 40 HE2 LYS 40 -4.434 -5.543 2.570 338 HE3 LYS 40 HE3 LYS 40 -5.126 -3.963 2.935 339 HZ1 LYS 40 HZ1 LYS 40 -6.335 -5.735 4.048 340 HZ2 LYS 40 HZ2 LYS 40 -6.668 -6.480 2.562 341 HZ3 LYS 40 HZ3 LYS 40 -7.330 -4.960 2.916 342 HA PRO 41 HA PRO 41 -5.715 -4.643 -6.313 343 HB2 PRO 41 HB2 PRO 41 -3.425 -5.100 -7.709 344 HB3 PRO 41 HB3 PRO 41 -3.883 -3.505 -7.103 345 HG2 PRO 41 HG2 PRO 41 -1.923 -5.468 -5.999 346 HG3 PRO 41 HG3 PRO 41 -1.832 -3.699 -6.059 347 HD2 PRO 41 HD2 PRO 41 -2.509 -5.125 -3.821 348 HD3 PRO 41 HD3 PRO 41 -3.030 -3.456 -4.126 349 H ALA 42 H ALA 42 -3.054 -6.936 -5.750 350 HA ALA 42 HA ALA 42 -4.781 -9.211 -5.831 351 HB1 ALA 42 HB1 ALA 42 -2.865 -8.809 -8.135 352 HB2 ALA 42 HB2 ALA 42 -4.625 -8.794 -8.236 353 HB3 ALA 42 HB3 ALA 42 -3.780 -10.280 -7.805 354 H ILE 43 H ILE 43 -2.622 -7.817 -4.290 355 HA ILE 43 HA ILE 43 -0.740 -10.065 -4.040 356 HB ILE 43 HB ILE 43 1.005 -8.348 -3.428 357 HG12 ILE 43 HG12 ILE 43 -0.849 -6.414 -4.823 358 HG13 ILE 43 HG13 ILE 43 -0.727 -6.521 -3.072 359 HG21 ILE 43 HG21 ILE 43 1.539 -7.804 -5.761 360 HG22 ILE 43 HG22 ILE 43 -0.093 -8.268 -6.239 361 HG23 ILE 43 HG23 ILE 43 1.012 -9.478 -5.587 362 HD11 ILE 43 HD11 ILE 43 1.514 -5.827 -4.961 363 HD12 ILE 43 HD12 ILE 43 1.635 -5.916 -3.204 364 HD13 ILE 43 HD13 ILE 43 0.611 -4.693 -3.957 365 H GLY 44 H GLY 44 -3.197 -9.274 -2.532 366 HA2 GLY 44 HA2 GLY 44 -2.550 -8.089 -0.065 367 HA3 GLY 44 HA3 GLY 44 -3.913 -9.160 -0.346 368 H SER 45 H SER 45 -2.454 -11.457 -1.103 369 HA SER 45 HA SER 45 -1.456 -12.251 1.529 370 HB2 SER 45 HB2 SER 45 -2.242 -13.980 -0.827 371 HB3 SER 45 HB3 SER 45 -1.896 -14.532 0.813 372 HG SER 45 HG SER 45 -4.214 -14.070 0.024 373 H LEU 46 H LEU 46 0.135 -10.740 -0.508 374 HA LEU 46 HA LEU 46 2.064 -12.671 -1.495 375 HB2 LEU 46 HB2 LEU 46 1.305 -10.661 -2.790 376 HB3 LEU 46 HB3 LEU 46 2.162 -9.661 -1.633 377 HG LEU 46 HG LEU 46 4.261 -10.919 -2.275 378 HD11 LEU 46 HD11 LEU 46 2.507 -11.843 -4.545 379 HD12 LEU 46 HD12 LEU 46 3.227 -12.862 -3.298 380 HD13 LEU 46 HD13 LEU 46 4.260 -12.027 -4.456 381 HD21 LEU 46 HD21 LEU 46 3.803 -8.659 -3.041 382 HD22 LEU 46 HD22 LEU 46 2.876 -9.297 -4.400 383 HD23 LEU 46 HD23 LEU 46 4.610 -9.601 -4.295 384 H LYS 47 H LYS 47 1.727 -12.188 1.434 385 HA LYS 47 HA LYS 47 2.962 -12.037 3.318 386 HB2 LYS 47 HB2 LYS 47 5.162 -12.462 1.308 387 HB3 LYS 47 HB3 LYS 47 5.409 -12.496 3.047 388 HG2 LYS 47 HG2 LYS 47 3.467 -14.299 1.635 389 HG3 LYS 47 HG3 LYS 47 5.154 -14.729 1.935 390 HD2 LYS 47 HD2 LYS 47 3.021 -14.115 3.968 391 HD3 LYS 47 HD3 LYS 47 3.852 -15.654 3.706 392 HE2 LYS 47 HE2 LYS 47 5.112 -13.085 4.662 393 HE3 LYS 47 HE3 LYS 47 4.737 -14.488 5.653 394 HZ1 LYS 47 HZ1 LYS 47 6.326 -15.787 4.415 395 HZ2 LYS 47 HZ2 LYS 47 7.094 -14.388 4.994 396 HZ3 LYS 47 HZ3 LYS 47 6.637 -14.494 3.360 397 H VAL 48 H VAL 48 4.489 -10.741 4.558 398 HA VAL 48 HA VAL 48 4.731 -8.022 3.632 399 HB VAL 48 HB VAL 48 5.860 -9.281 6.144 400 HG11 VAL 48 HG11 VAL 48 5.398 -6.387 5.436 401 HG12 VAL 48 HG12 VAL 48 6.961 -7.195 5.529 402 HG13 VAL 48 HG13 VAL 48 5.987 -6.992 6.986 403 HG21 VAL 48 HG21 VAL 48 3.279 -7.768 5.758 404 HG22 VAL 48 HG22 VAL 48 3.923 -8.345 7.295 405 HG23 VAL 48 HG23 VAL 48 3.429 -9.500 6.056 406 H GLU 49 H GLU 49 6.732 -10.846 3.940 407 HA GLU 49 HA GLU 49 9.225 -9.435 3.496 408 HB2 GLU 49 HB2 GLU 49 8.730 -12.412 3.517 409 HB3 GLU 49 HB3 GLU 49 10.267 -11.591 3.727 410 HG2 GLU 49 HG2 GLU 49 9.691 -10.851 5.885 411 HG3 GLU 49 HG3 GLU 49 7.993 -11.275 5.655 412 H ASP 50 H ASP 50 6.774 -10.850 1.610 413 HA ASP 50 HA ASP 50 8.639 -11.650 -0.508 414 HB2 ASP 50 HB2 ASP 50 5.876 -12.566 0.243 415 HB3 ASP 50 HB3 ASP 50 6.575 -12.961 -1.318 416 H VAL 51 H VAL 51 6.926 -9.034 0.216 417 HA VAL 51 HA VAL 51 5.739 -8.616 -2.404 418 HB VAL 51 HB VAL 51 4.404 -7.818 -0.580 419 HG11 VAL 51 HG11 VAL 51 6.777 -6.158 0.257 420 HG12 VAL 51 HG12 VAL 51 6.099 -7.536 1.121 421 HG13 VAL 51 HG13 VAL 51 5.161 -6.052 0.959 422 HG21 VAL 51 HG21 VAL 51 5.675 -5.505 -2.039 423 HG22 VAL 51 HG22 VAL 51 4.148 -5.436 -1.160 424 HG23 VAL 51 HG23 VAL 51 4.301 -6.468 -2.581 425 H LYS 52 H LYS 52 7.110 -8.148 -3.960 426 HA LYS 52 HA LYS 52 9.446 -6.496 -3.379 427 HB2 LYS 52 HB2 LYS 52 10.231 -7.169 -5.651 428 HB3 LYS 52 HB3 LYS 52 10.032 -8.501 -4.535 429 HG2 LYS 52 HG2 LYS 52 7.888 -7.790 -6.499 430 HG3 LYS 52 HG3 LYS 52 9.264 -8.790 -6.961 431 HD2 LYS 52 HD2 LYS 52 7.287 -9.385 -4.753 432 HD3 LYS 52 HD3 LYS 52 7.346 -10.169 -6.332 433 HE2 LYS 52 HE2 LYS 52 9.524 -10.257 -4.240 434 HE3 LYS 52 HE3 LYS 52 8.368 -11.544 -4.568 435 HZ1 LYS 52 HZ1 LYS 52 10.452 -10.520 -6.426 436 HZ2 LYS 52 HZ2 LYS 52 9.283 -11.674 -6.840 437 HZ3 LYS 52 HZ3 LYS 52 10.434 -12.028 -5.652 438 HA PRO 53 HA PRO 53 7.968 -2.809 -5.073 439 HB2 PRO 53 HB2 PRO 53 10.096 -1.877 -6.523 440 HB3 PRO 53 HB3 PRO 53 10.019 -1.849 -4.759 441 HG2 PRO 53 HG2 PRO 53 11.381 -3.805 -6.563 442 HG3 PRO 53 HG3 PRO 53 11.963 -3.081 -5.051 443 HD2 PRO 53 HD2 PRO 53 10.974 -5.581 -5.148 444 HD3 PRO 53 HD3 PRO 53 10.724 -4.530 -3.741 445 H ARG 54 H ARG 54 9.027 -5.226 -7.299 446 HA ARG 54 HA ARG 54 8.432 -4.028 -9.746 447 HB2 ARG 54 HB2 ARG 54 9.351 -6.462 -9.005 448 HB3 ARG 54 HB3 ARG 54 7.693 -6.881 -9.411 449 HG2 ARG 54 HG2 ARG 54 9.672 -5.530 -11.227 450 HG3 ARG 54 HG3 ARG 54 9.168 -7.217 -11.303 451 HD2 ARG 54 HD2 ARG 54 7.178 -6.724 -12.262 452 HD3 ARG 54 HD3 ARG 54 7.006 -5.209 -11.375 453 HE ARG 54 HE ARG 54 8.874 -5.468 -13.640 454 HH11 ARG 54 HH11 ARG 54 6.120 -3.929 -12.110 455 HH12 ARG 54 HH12 ARG 54 6.159 -2.532 -13.145 456 HH21 ARG 54 HH21 ARG 54 8.912 -3.657 -15.026 457 HH22 ARG 54 HH22 ARG 54 7.740 -2.383 -14.815 458 H HIS 55 H HIS 55 6.379 -5.889 -7.552 459 HA HIS 55 HA HIS 55 4.024 -5.642 -9.123 460 HB2 HIS 55 HB2 HIS 55 4.436 -6.399 -6.229 461 HB3 HIS 55 HB3 HIS 55 2.860 -6.398 -7.011 462 HD1 HIS 55 HD1 HIS 55 4.094 -8.997 -5.873 463 HD2 HIS 55 HD2 HIS 55 4.402 -7.783 -9.835 464 HE1 HIS 55 HE1 HIS 55 4.539 -11.093 -7.187 465 HE2 HIS 55 HE2 HIS 55 4.554 -10.362 -9.604 466 H ILE 56 H ILE 56 5.452 -3.775 -6.535 467 HA ILE 56 HA ILE 56 3.323 -2.061 -5.931 468 HB ILE 56 HB ILE 56 6.286 -1.449 -5.945 469 HG12 ILE 56 HG12 ILE 56 5.754 -3.356 -4.525 470 HG13 ILE 56 HG13 ILE 56 6.167 -1.967 -3.532 471 HG21 ILE 56 HG21 ILE 56 4.027 -0.023 -4.546 472 HG22 ILE 56 HG22 ILE 56 4.979 0.594 -5.896 473 HG23 ILE 56 HG23 ILE 56 5.745 0.317 -4.333 474 HD11 ILE 56 HD11 ILE 56 3.819 -1.572 -3.073 475 HD12 ILE 56 HD12 ILE 56 4.280 -3.215 -2.624 476 HD13 ILE 56 HD13 ILE 56 3.375 -2.928 -4.110 477 H ASP 57 H ASP 57 5.770 -1.908 -8.488 478 HA ASP 57 HA ASP 57 5.023 0.606 -9.539 479 HB2 ASP 57 HB2 ASP 57 7.128 -0.352 -10.183 480 HB3 ASP 57 HB3 ASP 57 6.344 -1.794 -10.816 481 H ASP 58 H ASP 58 3.918 -2.674 -10.161 482 HA ASP 58 HA ASP 58 2.329 -2.129 -12.412 483 HB2 ASP 58 HB2 ASP 58 2.365 -4.345 -10.402 484 HB3 ASP 58 HB3 ASP 58 1.049 -4.248 -11.567 485 H VAL 59 H VAL 59 1.434 -2.221 -8.954 486 HA VAL 59 HA VAL 59 -1.304 -1.719 -9.470 487 HB VAL 59 HB VAL 59 -0.622 -2.672 -7.335 488 HG11 VAL 59 HG11 VAL 59 0.413 -1.330 -5.589 489 HG12 VAL 59 HG12 VAL 59 0.569 0.022 -6.709 490 HG13 VAL 59 HG13 VAL 59 1.474 -1.467 -6.992 491 HG21 VAL 59 HG21 VAL 59 -2.754 -1.539 -7.436 492 HG22 VAL 59 HG22 VAL 59 -1.981 -0.001 -7.057 493 HG23 VAL 59 HG23 VAL 59 -2.012 -1.291 -5.855 494 H LEU 60 H LEU 60 1.436 0.434 -8.857 495 HA LEU 60 HA LEU 60 -0.086 2.825 -8.718 496 HB2 LEU 60 HB2 LEU 60 2.791 2.433 -9.560 497 HB3 LEU 60 HB3 LEU 60 2.050 3.973 -9.171 498 HG LEU 60 HG LEU 60 2.447 1.682 -7.247 499 HD11 LEU 60 HD11 LEU 60 4.104 3.132 -6.201 500 HD12 LEU 60 HD12 LEU 60 3.846 4.344 -7.457 501 HD13 LEU 60 HD13 LEU 60 4.536 2.776 -7.874 502 HD21 LEU 60 HD21 LEU 60 1.385 4.469 -6.786 503 HD22 LEU 60 HD22 LEU 60 1.708 3.268 -5.536 504 HD23 LEU 60 HD23 LEU 60 0.445 2.978 -6.732 505 H LYS 61 H LYS 61 1.413 1.058 -11.375 506 HA LYS 61 HA LYS 61 0.909 2.861 -13.456 507 HB2 LYS 61 HB2 LYS 61 2.359 1.055 -13.879 508 HB3 LYS 61 HB3 LYS 61 1.224 -0.123 -13.241 509 HG2 LYS 61 HG2 LYS 61 -0.229 0.701 -15.280 510 HG3 LYS 61 HG3 LYS 61 1.361 1.125 -15.922 511 HD2 LYS 61 HD2 LYS 61 0.711 -1.129 -16.579 512 HD3 LYS 61 HD3 LYS 61 2.128 -1.165 -15.538 513 HE2 LYS 61 HE2 LYS 61 0.646 -1.659 -13.620 514 HE3 LYS 61 HE3 LYS 61 -0.723 -1.716 -14.727 515 HZ1 LYS 61 HZ1 LYS 61 -0.015 -3.925 -14.329 516 HZ2 LYS 61 HZ2 LYS 61 1.606 -3.553 -14.643 517 HZ3 LYS 61 HZ3 LYS 61 0.473 -3.541 -15.907 518 H ALA 62 H ALA 62 -1.104 0.438 -11.891 519 HA ALA 62 HA ALA 62 -3.267 0.659 -13.738 520 HB1 ALA 62 HB1 ALA 62 -4.528 -0.656 -12.116 521 HB2 ALA 62 HB2 ALA 62 -3.253 -0.419 -10.921 522 HB3 ALA 62 HB3 ALA 62 -2.929 -1.350 -12.383 523 H VAL 63 H VAL 63 -2.697 1.951 -10.454 524 HA VAL 63 HA VAL 63 -5.201 3.249 -10.298 525 HB VAL 63 HB VAL 63 -4.289 4.490 -8.377 526 HG11 VAL 63 HG11 VAL 63 -5.185 2.254 -8.061 527 HG12 VAL 63 HG12 VAL 63 -3.843 2.550 -6.956 528 HG13 VAL 63 HG13 VAL 63 -3.599 1.556 -8.391 529 HG21 VAL 63 HG21 VAL 63 -2.008 4.051 -7.602 530 HG22 VAL 63 HG22 VAL 63 -2.029 4.873 -9.162 531 HG23 VAL 63 HG23 VAL 63 -1.688 3.144 -9.079 532 H MET 64 H MET 64 -2.180 4.230 -11.734 533 HA MET 64 HA MET 64 -2.893 7.007 -11.871 534 HB2 MET 64 HB2 MET 64 -0.912 7.311 -13.204 535 HB3 MET 64 HB3 MET 64 -0.528 6.240 -11.868 536 HG2 MET 64 HG2 MET 64 -0.621 4.329 -13.340 537 HG3 MET 64 HG3 MET 64 -1.113 5.360 -14.683 538 HE1 MET 64 HE1 MET 64 1.777 4.567 -12.120 539 HE2 MET 64 HE2 MET 64 1.538 6.304 -11.931 540 HE3 MET 64 HE3 MET 64 3.025 5.690 -12.656 541 H LYS 65 H LYS 65 -3.572 4.206 -13.778 542 HA LYS 65 HA LYS 65 -4.330 5.832 -16.068 543 HB2 LYS 65 HB2 LYS 65 -4.500 3.822 -17.336 544 HB3 LYS 65 HB3 LYS 65 -2.986 3.815 -16.453 545 HG2 LYS 65 HG2 LYS 65 -3.613 1.702 -16.063 546 HG3 LYS 65 HG3 LYS 65 -4.462 2.471 -14.720 547 HD2 LYS 65 HD2 LYS 65 -6.456 2.664 -16.262 548 HD3 LYS 65 HD3 LYS 65 -5.588 1.592 -17.368 549 HE2 LYS 65 HE2 LYS 65 -5.299 0.104 -15.322 550 HE3 LYS 65 HE3 LYS 65 -6.595 1.052 -14.610 551 HZ1 LYS 65 HZ1 LYS 65 -8.004 0.463 -16.492 552 HZ2 LYS 65 HZ2 LYS 65 -7.489 -0.913 -15.652 553 HZ3 LYS 65 HZ3 LYS 65 -6.768 -0.507 -17.134 554 H ARG 66 H ARG 66 -5.755 3.694 -13.689 555 HA ARG 66 HA ARG 66 -8.417 4.153 -14.761 556 HB2 ARG 66 HB2 ARG 66 -9.220 2.656 -13.031 557 HB3 ARG 66 HB3 ARG 66 -7.833 1.940 -13.836 558 HG2 ARG 66 HG2 ARG 66 -7.279 1.464 -11.693 559 HG3 ARG 66 HG3 ARG 66 -6.549 3.066 -11.804 560 HD2 ARG 66 HD2 ARG 66 -7.770 2.941 -9.750 561 HD3 ARG 66 HD3 ARG 66 -8.650 4.008 -10.843 562 HE ARG 66 HE ARG 66 -9.436 1.179 -10.566 563 HH11 ARG 66 HH11 ARG 66 -10.185 4.594 -10.329 564 HH12 ARG 66 HH12 ARG 66 -11.863 4.335 -9.967 565 HH21 ARG 66 HH21 ARG 66 -11.663 0.833 -10.122 566 HH22 ARG 66 HH22 ARG 66 -12.704 2.199 -9.863 567 H GLY 67 H GLY 67 -6.382 5.957 -12.986 568 HA2 GLY 67 HA2 GLY 67 -8.599 7.493 -11.856 569 HA3 GLY 67 HA3 GLY 67 -7.315 6.984 -10.768 570 H ALA 68 H ALA 68 -5.636 8.295 -10.526 571 HA ALA 68 HA ALA 68 -4.938 10.191 -12.624 572 HB1 ALA 68 HB1 ALA 68 -5.069 12.120 -11.154 573 HB2 ALA 68 HB2 ALA 68 -5.656 11.104 -9.839 574 HB3 ALA 68 HB3 ALA 68 -6.647 11.341 -11.278 575 HA PRO 69 HA PRO 69 -0.840 9.274 -11.261 576 HB2 PRO 69 HB2 PRO 69 0.379 11.654 -11.920 577 HB3 PRO 69 HB3 PRO 69 0.033 10.354 -13.062 578 HG2 PRO 69 HG2 PRO 69 -1.492 12.869 -12.536 579 HG3 PRO 69 HG3 PRO 69 -1.148 12.065 -14.079 580 HD2 PRO 69 HD2 PRO 69 -3.547 11.867 -12.878 581 HD3 PRO 69 HD3 PRO 69 -2.841 10.518 -13.794 582 H SER 70 H SER 70 -2.443 12.196 -10.159 583 HA SER 70 HA SER 70 -0.608 12.813 -8.088 584 HB2 SER 70 HB2 SER 70 -2.263 14.444 -8.994 585 HB3 SER 70 HB3 SER 70 -3.552 13.515 -8.230 586 HG SER 70 HG SER 70 -2.586 15.418 -7.061 587 H ILE 71 H ILE 71 -3.364 10.680 -8.352 588 HA ILE 71 HA ILE 71 -3.494 10.073 -5.552 589 HB ILE 71 HB ILE 71 -4.581 8.503 -7.900 590 HG12 ILE 71 HG12 ILE 71 -5.952 10.540 -6.128 591 HG13 ILE 71 HG13 ILE 71 -5.434 10.828 -7.785 592 HG21 ILE 71 HG21 ILE 71 -4.432 7.135 -5.912 593 HG22 ILE 71 HG22 ILE 71 -6.121 7.535 -6.226 594 HG23 ILE 71 HG23 ILE 71 -5.236 8.381 -4.957 595 HD11 ILE 71 HD11 ILE 71 -7.811 10.395 -7.692 596 HD12 ILE 71 HD12 ILE 71 -7.519 8.849 -6.893 597 HD13 ILE 71 HD13 ILE 71 -6.984 9.098 -8.554 598 H ALA 72 H ALA 72 -1.974 8.710 -8.406 599 HA ALA 72 HA ALA 72 -1.108 6.272 -7.407 600 HB1 ALA 72 HB1 ALA 72 -0.990 6.931 -9.778 601 HB2 ALA 72 HB2 ALA 72 0.530 6.265 -9.182 602 HB3 ALA 72 HB3 ALA 72 0.353 8.007 -9.391 603 H ASN 73 H ASN 73 0.621 9.403 -7.358 604 HA ASN 73 HA ASN 73 2.888 8.300 -6.031 605 HB2 ASN 73 HB2 ASN 73 3.759 10.505 -5.895 606 HB3 ASN 73 HB3 ASN 73 2.908 10.409 -7.428 607 HD21 ASN 73 HD21 ASN 73 1.192 11.733 -7.796 608 HD22 ASN 73 HD22 ASN 73 0.670 12.952 -6.684 609 H ASP 74 H ASP 74 -0.103 9.712 -4.969 610 HA ASP 74 HA ASP 74 0.647 10.155 -2.267 611 HB2 ASP 74 HB2 ASP 74 -1.290 11.272 -3.247 612 HB3 ASP 74 HB3 ASP 74 -2.084 9.719 -3.492 613 H THR 75 H THR 75 -0.979 7.483 -3.937 614 HA THR 75 HA THR 75 -1.304 5.824 -1.684 615 HB THR 75 HB THR 75 -0.993 5.033 -4.589 616 HG1 THR 75 HG1 THR 75 -3.504 4.853 -3.839 617 HG21 THR 75 HG21 THR 75 -2.201 2.991 -3.939 618 HG22 THR 75 HG22 THR 75 -2.173 3.515 -2.254 619 HG23 THR 75 HG23 THR 75 -0.665 3.132 -3.085 620 H LEU 76 H LEU 76 1.381 6.251 -3.944 621 HA LEU 76 HA LEU 76 3.038 4.169 -3.083 622 HB2 LEU 76 HB2 LEU 76 3.457 5.653 -5.051 623 HB3 LEU 76 HB3 LEU 76 3.885 6.945 -3.951 624 HG LEU 76 HG LEU 76 5.412 4.354 -3.915 625 HD11 LEU 76 HD11 LEU 76 5.386 5.111 -6.239 626 HD12 LEU 76 HD12 LEU 76 6.982 5.318 -5.521 627 HD13 LEU 76 HD13 LEU 76 5.922 6.712 -5.729 628 HD21 LEU 76 HD21 LEU 76 5.791 5.946 -2.092 629 HD22 LEU 76 HD22 LEU 76 6.163 7.207 -3.266 630 HD23 LEU 76 HD23 LEU 76 7.218 5.800 -3.119 631 H ARG 77 H ARG 77 2.651 7.456 -1.854 632 HA ARG 77 HA ARG 77 4.529 7.307 0.238 633 HB2 ARG 77 HB2 ARG 77 2.040 8.974 -0.130 634 HB3 ARG 77 HB3 ARG 77 3.162 9.200 1.205 635 HG2 ARG 77 HG2 ARG 77 3.915 9.395 -1.704 636 HG3 ARG 77 HG3 ARG 77 3.510 10.771 -0.673 637 HD2 ARG 77 HD2 ARG 77 5.339 10.158 0.838 638 HD3 ARG 77 HD3 ARG 77 5.761 8.818 -0.222 639 HE ARG 77 HE ARG 77 6.835 10.285 -1.604 640 HH11 ARG 77 HH11 ARG 77 4.699 12.127 0.485 641 HH12 ARG 77 HH12 ARG 77 5.343 13.664 -0.009 642 HH21 ARG 77 HH21 ARG 77 7.690 12.286 -2.232 643 HH22 ARG 77 HH22 ARG 77 7.038 13.752 -1.565 644 H TRP 78 H TRP 78 1.089 6.580 0.092 645 HA TRP 78 HA TRP 78 0.669 5.964 2.798 646 HB2 TRP 78 HB2 TRP 78 -1.106 6.291 1.046 647 HB3 TRP 78 HB3 TRP 78 -0.712 4.695 0.424 648 HD1 TRP 78 HD1 TRP 78 -1.475 2.580 1.891 649 HE1 TRP 78 HE1 TRP 78 -3.237 2.338 3.751 650 HE3 TRP 78 HE3 TRP 78 -2.164 7.522 3.011 651 HZ2 TRP 78 HZ2 TRP 78 -4.729 4.015 5.458 652 HZ3 TRP 78 HZ3 TRP 78 -3.782 8.117 4.767 653 HH2 TRP 78 HH2 TRP 78 -5.038 6.398 5.964 654 H LEU 79 H LEU 79 1.603 3.906 0.057 655 HA LEU 79 HA LEU 79 1.803 1.457 1.383 656 HB2 LEU 79 HB2 LEU 79 3.460 2.545 -0.899 657 HB3 LEU 79 HB3 LEU 79 3.481 0.871 -0.378 658 HG LEU 79 HG LEU 79 1.003 2.268 -1.370 659 HD11 LEU 79 HD11 LEU 79 1.367 1.066 -3.470 660 HD12 LEU 79 HD12 LEU 79 2.921 0.487 -2.868 661 HD13 LEU 79 HD13 LEU 79 2.668 2.210 -3.145 662 HD21 LEU 79 HD21 LEU 79 0.190 -0.035 -1.649 663 HD22 LEU 79 HD22 LEU 79 0.565 0.342 0.032 664 HD23 LEU 79 HD23 LEU 79 1.680 -0.636 -0.922 665 H LYS 80 H LYS 80 4.138 4.077 1.049 666 HA LYS 80 HA LYS 80 6.357 2.853 2.179 667 HB2 LYS 80 HB2 LYS 80 6.191 5.032 0.883 668 HB3 LYS 80 HB3 LYS 80 5.617 5.778 2.365 669 HG2 LYS 80 HG2 LYS 80 8.222 4.318 2.274 670 HG3 LYS 80 HG3 LYS 80 8.085 5.999 1.757 671 HD2 LYS 80 HD2 LYS 80 7.216 4.976 4.451 672 HD3 LYS 80 HD3 LYS 80 8.778 5.696 4.116 673 HE2 LYS 80 HE2 LYS 80 7.589 7.739 3.312 674 HE3 LYS 80 HE3 LYS 80 6.086 7.006 3.863 675 HZ1 LYS 80 HZ1 LYS 80 6.932 6.990 6.109 676 HZ2 LYS 80 HZ2 LYS 80 7.021 8.561 5.484 677 HZ3 LYS 80 HZ3 LYS 80 8.421 7.610 5.600 678 H ARG 81 H ARG 81 3.633 4.579 3.642 679 HA ARG 81 HA ARG 81 4.598 4.622 6.295 680 HB2 ARG 81 HB2 ARG 81 1.761 4.540 5.254 681 HB3 ARG 81 HB3 ARG 81 2.186 4.807 6.935 682 HG2 ARG 81 HG2 ARG 81 3.372 6.853 6.307 683 HG3 ARG 81 HG3 ARG 81 2.914 6.585 4.621 684 HD2 ARG 81 HD2 ARG 81 0.581 6.789 5.160 685 HD3 ARG 81 HD3 ARG 81 0.938 6.848 6.884 686 HE ARG 81 HE ARG 81 1.819 8.970 5.024 687 HH11 ARG 81 HH11 ARG 81 0.226 7.899 7.957 688 HH12 ARG 81 HH12 ARG 81 0.007 9.502 8.596 689 HH21 ARG 81 HH21 ARG 81 1.549 11.104 5.861 690 HH22 ARG 81 HH22 ARG 81 0.793 11.328 7.414 691 H MET 82 H MET 82 2.589 2.285 4.546 692 HA MET 82 HA MET 82 2.116 0.554 6.715 693 HB2 MET 82 HB2 MET 82 0.801 0.514 4.629 694 HB3 MET 82 HB3 MET 82 2.202 -0.108 3.767 695 HG2 MET 82 HG2 MET 82 2.165 -2.106 5.212 696 HG3 MET 82 HG3 MET 82 0.706 -1.488 5.983 697 HE1 MET 82 HE1 MET 82 1.751 -1.322 2.180 698 HE2 MET 82 HE2 MET 82 0.955 -2.766 1.552 699 HE3 MET 82 HE3 MET 82 2.289 -2.920 2.694 700 H PHE 83 H PHE 83 4.581 0.461 4.146 701 HA PHE 83 HA PHE 83 5.818 -1.913 5.045 702 HB2 PHE 83 HB2 PHE 83 6.896 0.358 3.373 703 HB3 PHE 83 HB3 PHE 83 7.795 -1.119 3.698 704 HD1 PHE 83 HD2 PHE 83 6.010 -3.270 3.358 705 HD2 PHE 83 HD1 PHE 83 6.125 0.410 1.227 706 HE1 PHE 83 HE2 PHE 83 4.922 -4.353 1.437 707 HE2 PHE 83 HE1 PHE 83 5.038 -0.667 -0.699 708 HZ PHE 83 HZ PHE 83 4.435 -3.051 -0.595 709 H ASN 84 H ASN 84 6.384 1.491 5.797 710 HA ASN 84 HA ASN 84 8.722 1.219 7.298 711 HB2 ASN 84 HB2 ASN 84 7.940 3.410 6.692 712 HB3 ASN 84 HB3 ASN 84 6.436 3.178 7.577 713 HD21 ASN 84 HD21 ASN 84 6.367 3.623 9.705 714 HD22 ASN 84 HD22 ASN 84 7.704 4.212 10.626 715 H TYR 85 H TYR 85 5.366 0.681 8.208 716 HA TYR 85 HA TYR 85 5.822 0.335 10.976 717 HB2 TYR 85 HB2 TYR 85 3.573 0.713 9.974 718 HB3 TYR 85 HB3 TYR 85 3.636 -0.909 9.286 719 HD1 TYR 85 HD1 TYR 85 3.845 0.872 12.557 720 HD2 TYR 85 HD2 TYR 85 2.794 -2.706 10.509 721 HE1 TYR 85 HE1 TYR 85 2.929 -0.044 14.647 722 HE2 TYR 85 HE2 TYR 85 1.875 -3.633 12.594 723 HH TYR 85 HH TYR 85 1.429 -1.707 15.428 724 H ALA 86 H ALA 86 6.076 -1.811 8.213 725 HA ALA 86 HA ALA 86 6.304 -4.230 9.660 726 HB1 ALA 86 HB1 ALA 86 7.195 -5.174 7.605 727 HB2 ALA 86 HB2 ALA 86 7.415 -3.555 6.940 728 HB3 ALA 86 HB3 ALA 86 5.791 -4.162 7.266 729 H ILE 87 H ILE 87 8.606 -1.737 8.763 730 HA ILE 87 HA ILE 87 10.947 -3.150 9.503 731 HB ILE 87 HB ILE 87 10.375 -0.210 9.199 732 HG12 ILE 87 HG12 ILE 87 12.148 -0.418 7.444 733 HG13 ILE 87 HG13 ILE 87 12.214 -2.144 7.767 734 HG21 ILE 87 HG21 ILE 87 11.907 -0.353 11.073 735 HG22 ILE 87 HG22 ILE 87 12.739 0.269 9.648 736 HG23 ILE 87 HG23 ILE 87 12.974 -1.408 10.144 737 HD11 ILE 87 HD11 ILE 87 9.892 -2.353 7.046 738 HD12 ILE 87 HD12 ILE 87 10.920 -1.670 5.786 739 HD13 ILE 87 HD13 ILE 87 9.847 -0.622 6.714 740 H LYS 88 H LYS 88 8.886 -0.860 11.330 741 HA LYS 88 HA LYS 88 10.392 -1.215 13.727 742 HB2 LYS 88 HB2 LYS 88 8.531 -0.048 14.861 743 HB3 LYS 88 HB3 LYS 88 9.147 0.827 13.470 744 HG2 LYS 88 HG2 LYS 88 7.248 0.089 12.147 745 HG3 LYS 88 HG3 LYS 88 6.640 -0.835 13.524 746 HD2 LYS 88 HD2 LYS 88 7.108 2.143 13.575 747 HD3 LYS 88 HD3 LYS 88 5.555 1.400 13.195 748 HE2 LYS 88 HE2 LYS 88 5.445 0.386 15.377 749 HE3 LYS 88 HE3 LYS 88 7.078 0.934 15.758 750 HZ1 LYS 88 HZ1 LYS 88 6.358 3.176 15.811 751 HZ2 LYS 88 HZ2 LYS 88 5.243 2.295 16.737 752 HZ3 LYS 88 HZ3 LYS 88 4.834 2.794 15.169 753 H ARG 89 H ARG 89 7.881 -2.980 12.194 754 HA ARG 89 HA ARG 89 7.181 -4.596 14.463 755 HB2 ARG 89 HB2 ARG 89 6.506 -4.468 11.615 756 HB3 ARG 89 HB3 ARG 89 6.612 -6.112 12.225 757 HG2 ARG 89 HG2 ARG 89 4.921 -3.934 13.423 758 HG3 ARG 89 HG3 ARG 89 4.344 -5.198 12.332 759 HD2 ARG 89 HD2 ARG 89 5.071 -6.898 13.940 760 HD3 ARG 89 HD3 ARG 89 5.625 -5.627 15.026 761 HE ARG 89 HE ARG 89 2.798 -5.682 14.237 762 HH11 ARG 89 HH11 ARG 89 5.287 -6.074 16.695 763 HH12 ARG 89 HH12 ARG 89 4.148 -6.135 18.006 764 HH21 ARG 89 HH21 ARG 89 1.313 -5.795 15.965 765 HH22 ARG 89 HH22 ARG 89 1.901 -5.985 17.597 766 H HIS 90 H HIS 90 9.839 -4.365 12.440 767 HA HIS 90 HA HIS 90 11.814 -5.456 12.345 768 HB2 HIS 90 HB2 HIS 90 10.670 -7.116 14.598 769 HB3 HIS 90 HB3 HIS 90 12.334 -7.214 14.031 770 HD1 HIS 90 HD1 HIS 90 11.397 -6.321 16.938 771 HD2 HIS 90 HD2 HIS 90 12.599 -3.815 13.843 772 HE1 HIS 90 HE1 HIS 90 12.194 -4.205 18.044 773 HE2 HIS 90 HE2 HIS 90 13.112 -2.795 16.162 774 H ILE 91 H ILE 91 9.253 -6.379 10.988 775 HA ILE 91 HA ILE 91 9.680 -9.170 10.443 776 HB ILE 91 HB ILE 91 8.064 -7.171 8.843 777 HG12 ILE 91 HG12 ILE 91 7.137 -9.067 11.011 778 HG13 ILE 91 HG13 ILE 91 7.344 -7.330 11.220 779 HG21 ILE 91 HG21 ILE 91 8.602 -9.207 7.615 780 HG22 ILE 91 HG22 ILE 91 6.884 -9.152 8.009 781 HG23 ILE 91 HG23 ILE 91 7.971 -10.187 8.938 782 HD11 ILE 91 HD11 ILE 91 5.631 -6.933 9.523 783 HD12 ILE 91 HD12 ILE 91 5.019 -7.890 10.872 784 HD13 ILE 91 HD13 ILE 91 5.416 -8.675 9.343 785 H ILE 92 H ILE 92 9.917 -6.239 8.458 786 HA ILE 92 HA ILE 92 12.189 -7.459 7.044 787 HB ILE 92 HB ILE 92 11.499 -6.217 5.007 788 HG12 ILE 92 HG12 ILE 92 8.934 -5.699 6.539 789 HG13 ILE 92 HG13 ILE 92 10.145 -4.484 6.145 790 HG21 ILE 92 HG21 ILE 92 9.631 -7.700 4.390 791 HG22 ILE 92 HG22 ILE 92 9.468 -8.167 6.084 792 HG23 ILE 92 HG23 ILE 92 10.943 -8.557 5.199 793 HD11 ILE 92 HD11 ILE 92 8.532 -6.057 4.150 794 HD12 ILE 92 HD12 ILE 92 9.717 -4.804 3.775 795 HD13 ILE 92 HD13 ILE 92 8.235 -4.389 4.637 796 H GLU 93 H GLU 93 13.769 -5.946 6.280 797 HA GLU 93 HA GLU 93 13.702 -3.392 7.740 798 HB2 GLU 93 HB2 GLU 93 16.092 -5.123 7.074 799 HB3 GLU 93 HB3 GLU 93 16.161 -3.565 7.891 800 HG2 GLU 93 HG2 GLU 93 14.879 -4.461 9.749 801 HG3 GLU 93 HG3 GLU 93 14.745 -6.011 8.922 802 H TYR 94 H TYR 94 12.868 -4.202 4.985 803 HA TYR 94 HA TYR 94 14.389 -2.144 3.556 804 HB2 TYR 94 HB2 TYR 94 13.475 -4.799 2.424 805 HB3 TYR 94 HB3 TYR 94 14.129 -3.475 1.466 806 HD1 TYR 94 HD2 TYR 94 16.504 -2.730 1.905 807 HD2 TYR 94 HD1 TYR 94 14.904 -6.337 3.496 808 HE1 TYR 94 HE2 TYR 94 18.782 -3.564 2.292 809 HE2 TYR 94 HE1 TYR 94 17.182 -7.178 3.891 810 HH TYR 94 HH TYR 94 19.489 -6.762 2.900 811 H ASN 95 H ASN 95 13.181 -0.732 2.417 812 HA ASN 95 HA ASN 95 10.275 -1.126 2.503 813 HB2 ASN 95 HB2 ASN 95 10.888 0.673 3.940 814 HB3 ASN 95 HB3 ASN 95 11.970 1.356 2.735 815 HD21 ASN 95 HD21 ASN 95 10.991 3.317 2.872 816 HD22 ASN 95 HD22 ASN 95 9.450 3.618 2.167 817 HA PRO 96 HA PRO 96 11.428 -1.573 -1.914 818 HB2 PRO 96 HB2 PRO 96 8.875 -2.437 -2.582 819 HB3 PRO 96 HB3 PRO 96 10.220 -3.486 -2.124 820 HG2 PRO 96 HG2 PRO 96 7.952 -2.465 -0.463 821 HG3 PRO 96 HG3 PRO 96 8.721 -4.063 -0.457 822 HD2 PRO 96 HD2 PRO 96 9.252 -2.272 1.449 823 HD3 PRO 96 HD3 PRO 96 10.529 -3.325 0.802 824 H ALA 97 H ALA 97 8.815 0.219 -0.459 825 HA ALA 97 HA ALA 97 7.926 1.460 -2.880 826 HB1 ALA 97 HB1 ALA 97 6.414 1.189 -1.002 827 HB2 ALA 97 HB2 ALA 97 6.595 2.895 -1.409 828 HB3 ALA 97 HB3 ALA 97 7.434 2.229 -0.008 829 H ALA 98 H ALA 98 10.461 2.051 -0.618 830 HA ALA 98 HA ALA 98 10.685 4.877 -1.116 831 HB1 ALA 98 HB1 ALA 98 12.701 4.771 0.230 832 HB2 ALA 98 HB2 ALA 98 12.659 3.008 0.184 833 HB3 ALA 98 HB3 ALA 98 11.386 3.899 1.019 834 H ALA 99 H ALA 99 11.430 2.217 -2.945 835 HA ALA 99 HA ALA 99 13.937 3.122 -4.034 836 HB1 ALA 99 HB1 ALA 99 13.712 1.245 -5.576 837 HB2 ALA 99 HB2 ALA 99 12.058 0.979 -5.027 838 HB3 ALA 99 HB3 ALA 99 13.406 0.732 -3.916 839 H PHE 100 H PHE 100 10.816 4.166 -4.377 840 HA PHE 100 HA PHE 100 11.376 5.246 -7.056 841 HB2 PHE 100 HB2 PHE 100 8.638 4.409 -6.078 842 HB3 PHE 100 HB3 PHE 100 9.057 4.995 -7.684 843 HD1 PHE 100 HD1 PHE 100 10.734 3.561 -9.034 844 HD2 PHE 100 HD2 PHE 100 8.579 2.133 -5.654 845 HE1 PHE 100 HE1 PHE 100 11.100 1.248 -9.785 846 HE2 PHE 100 HE2 PHE 100 8.941 -0.184 -6.400 847 HZ PHE 100 HZ PHE 100 10.205 -0.628 -8.466 848 H ASP 101 H ASP 101 11.666 7.375 -6.804 849 HA ASP 101 HA ASP 101 9.941 8.822 -4.924 850 HB2 ASP 101 HB2 ASP 101 12.381 9.329 -4.902 851 HB3 ASP 101 HB3 ASP 101 12.254 9.880 -6.569 852 HA PRO 102 HA PRO 102 7.190 9.268 -8.304 853 HB2 PRO 102 HB2 PRO 102 5.798 11.248 -6.662 854 HB3 PRO 102 HB3 PRO 102 5.240 9.683 -7.257 855 HG2 PRO 102 HG2 PRO 102 5.833 10.146 -4.675 856 HG3 PRO 102 HG3 PRO 102 6.033 8.559 -5.425 857 HD2 PRO 102 HD2 PRO 102 8.073 10.615 -4.726 858 HD3 PRO 102 HD3 PRO 102 8.192 8.843 -4.686 859 H GLY 103 H GLY 103 8.299 10.293 -9.842 860 HA2 GLY 103 HA2 GLY 103 8.621 11.933 -11.404 861 HA3 GLY 103 HA3 GLY 103 7.284 12.774 -10.638 862 H ASP 104 H ASP 104 7.748 14.716 -9.952 863 HA ASP 104 HA ASP 104 10.544 15.376 -9.311 864 HB2 ASP 104 HB2 ASP 104 9.778 16.603 -11.240 865 HB3 ASP 104 HB3 ASP 104 8.297 17.073 -10.418 866 H ALA 105 H ALA 105 7.485 16.996 -8.630 867 HA ALA 105 HA ALA 105 7.169 16.408 -5.942 868 HB1 ALA 105 HB1 ALA 105 9.357 17.478 -5.594 869 HB2 ALA 105 HB2 ALA 105 8.061 18.388 -4.818 870 HB3 ALA 105 HB3 ALA 105 8.749 18.957 -6.340 871 H GLY 106 H GLY 106 7.221 19.153 -8.168 872 HA2 GLY 106 HA2 GLY 106 5.416 20.299 -9.074 873 HA3 GLY 106 HA3 GLY 106 4.338 19.349 -8.064 874 H GLY 107 H GLY 107 3.666 21.875 -8.246 875 HA2 GLY 107 HA2 GLY 107 3.145 22.936 -5.925 876 HA3 GLY 107 HA3 GLY 107 4.859 23.323 -5.995 877 H LYS 108 H LYS 108 5.058 23.848 -8.734 878 HA LYS 108 HA LYS 108 3.120 25.855 -9.435 879 HB2 LYS 108 HB2 LYS 108 4.648 27.732 -9.517 880 HB3 LYS 108 HB3 LYS 108 4.571 27.103 -7.879 881 HG2 LYS 108 HG2 LYS 108 6.689 25.967 -8.188 882 HG3 LYS 108 HG3 LYS 108 6.763 26.529 -9.860 883 HD2 LYS 108 HD2 LYS 108 6.802 28.846 -9.076 884 HD3 LYS 108 HD3 LYS 108 6.727 28.278 -7.405 885 HE2 LYS 108 HE2 LYS 108 8.842 27.075 -7.756 886 HE3 LYS 108 HE3 LYS 108 8.929 27.729 -9.388 887 HZ1 LYS 108 HZ1 LYS 108 9.116 29.925 -8.530 888 HZ2 LYS 108 HZ2 LYS 108 10.256 28.974 -7.715 889 HZ3 LYS 108 HZ3 LYS 108 8.811 29.411 -6.944 890 H LEU 109 H LEU 109 4.540 27.216 -11.377 891 HA LEU 109 HA LEU 109 5.823 25.365 -13.127 892 HB2 LEU 109 HB2 LEU 109 3.860 25.546 -14.834 893 HB3 LEU 109 HB3 LEU 109 3.852 24.308 -13.595 894 HG LEU 109 HG LEU 109 2.318 25.723 -12.241 895 HD11 LEU 109 HD11 LEU 109 2.885 27.911 -13.120 896 HD12 LEU 109 HD12 LEU 109 1.162 27.593 -13.318 897 HD13 LEU 109 HD13 LEU 109 2.247 27.462 -14.702 898 HD21 LEU 109 HD21 LEU 109 1.439 23.951 -13.640 899 HD22 LEU 109 HD22 LEU 109 1.378 25.044 -15.023 900 HD23 LEU 109 HD23 LEU 109 0.337 25.327 -13.629 901 H GLU 110 H GLU 110 5.471 26.305 -15.534 902 HA GLU 110 HA GLU 110 6.535 29.003 -15.421 903 HB2 GLU 110 HB2 GLU 110 6.141 27.088 -17.732 904 HB3 GLU 110 HB3 GLU 110 7.007 28.615 -17.817 905 HG2 GLU 110 HG2 GLU 110 8.779 27.817 -16.533 906 HG3 GLU 110 HG3 GLU 110 7.837 26.461 -15.913 907 H HIS 111 H HIS 111 5.776 30.101 -17.775 908 HA HIS 111 HA HIS 111 2.978 30.743 -17.354 909 HB2 HIS 111 HB2 HIS 111 4.935 32.351 -18.030 910 HB3 HIS 111 HB3 HIS 111 4.618 31.764 -19.657 911 HD1 HIS 111 HD1 HIS 111 3.539 33.781 -20.702 912 HD2 HIS 111 HD2 HIS 111 1.856 32.790 -17.028 913 HE1 HIS 111 HE1 HIS 111 1.554 35.304 -20.428 914 HE2 HIS 111 HE2 HIS 111 0.679 34.824 -18.115 915 H HIS 112 H HIS 112 4.430 28.260 -18.658 916 HA HIS 112 HA HIS 112 3.227 27.891 -21.207 917 HB2 HIS 112 HB2 HIS 112 5.306 26.752 -20.184 918 HB3 HIS 112 HB3 HIS 112 4.171 25.710 -19.340 919 HD1 HIS 112 HD1 HIS 112 3.893 23.550 -20.487 920 HD2 HIS 112 HD2 HIS 112 4.634 26.643 -23.173 921 HE1 HIS 112 HE1 HIS 112 3.973 22.479 -22.759 922 HE2 HIS 112 HE2 HIS 112 4.596 24.336 -24.340 923 H HIS 113 H HIS 113 1.424 26.594 -21.751 924 HA HIS 113 HA HIS 113 -0.649 25.690 -21.559 925 HB2 HIS 113 HB2 HIS 113 0.529 24.935 -18.942 926 HB3 HIS 113 HB3 HIS 113 -1.224 24.864 -19.073 927 HD1 HIS 113 HD1 HIS 113 1.377 22.628 -19.168 928 HD2 HIS 113 HD2 HIS 113 -1.705 23.410 -21.852 929 HE1 HIS 113 HE1 HIS 113 1.111 20.530 -20.532 930 HE2 HIS 113 HE2 HIS 113 -0.926 20.937 -21.954 931 H HIS 114 H HIS 114 0.240 28.489 -20.177 932 HA HIS 114 HA HIS 114 -2.475 29.055 -19.209 933 HB2 HIS 114 HB2 HIS 114 0.173 30.320 -18.595 934 HB3 HIS 114 HB3 HIS 114 -1.317 31.241 -18.382 935 HD1 HIS 114 HD1 HIS 114 0.641 30.239 -16.040 936 HD2 HIS 114 HD2 HIS 114 -2.995 28.544 -17.162 937 HE1 HIS 114 HE1 HIS 114 -0.196 29.008 -14.014 938 HE2 HIS 114 HE2 HIS 114 -2.326 27.877 -14.755 939 H HIS 115 H HIS 115 -0.740 29.226 -21.932 940 HA HIS 115 HA HIS 115 -2.726 30.820 -23.181 941 HB2 HIS 115 HB2 HIS 115 -1.419 32.615 -24.060 942 HB3 HIS 115 HB3 HIS 115 -1.164 32.606 -22.321 943 HD1 HIS 115 HD1 HIS 115 0.586 31.950 -25.577 944 HD2 HIS 115 HD2 HIS 115 1.453 32.110 -21.514 945 HE1 HIS 115 HE1 HIS 115 3.094 31.996 -25.422 946 HE2 HIS 115 HE2 HIS 115 3.578 32.341 -22.969 947 H HIS 116 H HIS 116 -2.624 30.665 -25.474 948 HA HIS 116 HA HIS 116 -1.145 28.282 -26.318 949 HB2 HIS 116 HB2 HIS 116 -3.590 28.332 -26.635 950 HB3 HIS 116 HB3 HIS 116 -3.427 29.756 -27.653 951 HD1 HIS 116 HD1 HIS 116 -2.662 26.052 -27.627 952 HD2 HIS 116 HD2 HIS 116 -2.815 29.248 -30.289 953 HE1 HIS 116 HE1 HIS 116 -2.492 25.038 -29.924 954 HE2 HIS 116 HE2 HIS 116 -2.801 26.969 -31.516 Start of MODEL 12 1 H1 MET 1 H1 MET 1 1.123 -19.091 13.334 2 H2 MET 1 H2 MET 1 1.057 -20.559 12.489 3 H3 MET 1 H3 MET 1 0.301 -19.182 11.854 4 HA MET 1 HA MET 1 3.213 -19.573 12.235 5 HB2 MET 1 HB2 MET 1 2.236 -20.869 10.371 6 HB3 MET 1 HB3 MET 1 1.543 -19.397 9.714 7 HG2 MET 1 HG2 MET 1 4.488 -19.583 10.135 8 HG3 MET 1 HG3 MET 1 3.745 -20.360 8.738 9 HE1 MET 1 HE1 MET 1 1.331 -18.377 8.132 10 HE2 MET 1 HE2 MET 1 2.369 -19.029 6.865 11 HE3 MET 1 HE3 MET 1 2.058 -17.296 6.943 12 H ALA 2 H ALA 2 0.674 -17.465 10.881 13 HA ALA 2 HA ALA 2 2.440 -15.168 11.455 14 HB1 ALA 2 HB1 ALA 2 1.517 -14.035 9.511 15 HB2 ALA 2 HB2 ALA 2 0.482 -15.421 9.169 16 HB3 ALA 2 HB3 ALA 2 2.234 -15.575 9.032 17 H GLU 3 H GLU 3 0.500 -16.377 13.202 18 HA GLU 3 HA GLU 3 -1.876 -14.690 13.023 19 HB2 GLU 3 HB2 GLU 3 -1.248 -16.941 14.937 20 HB3 GLU 3 HB3 GLU 3 -2.804 -16.146 14.741 21 HG2 GLU 3 HG2 GLU 3 -1.380 -17.827 12.692 22 HG3 GLU 3 HG3 GLU 3 -2.804 -18.284 13.627 23 H LYS 4 H LYS 4 1.030 -14.098 14.132 24 HA LYS 4 HA LYS 4 0.023 -12.478 16.347 25 HB2 LYS 4 HB2 LYS 4 2.037 -12.999 17.697 26 HB3 LYS 4 HB3 LYS 4 0.988 -14.386 17.451 27 HG2 LYS 4 HG2 LYS 4 2.489 -15.208 15.703 28 HG3 LYS 4 HG3 LYS 4 3.540 -13.814 15.957 29 HD2 LYS 4 HD2 LYS 4 3.895 -14.530 18.283 30 HD3 LYS 4 HD3 LYS 4 2.880 -15.942 17.989 31 HE2 LYS 4 HE2 LYS 4 4.439 -16.683 16.246 32 HE3 LYS 4 HE3 LYS 4 5.461 -15.284 16.577 33 HZ1 LYS 4 HZ1 LYS 4 4.799 -17.413 18.537 34 HZ2 LYS 4 HZ2 LYS 4 5.840 -16.101 18.798 35 HZ3 LYS 4 HZ3 LYS 4 6.252 -17.300 17.673 36 H ASN 5 H ASN 5 2.639 -13.096 14.057 37 HA ASN 5 HA ASN 5 2.876 -10.290 13.509 38 HB2 ASN 5 HB2 ASN 5 4.357 -10.648 15.545 39 HB3 ASN 5 HB3 ASN 5 5.349 -11.698 14.540 40 HD21 ASN 5 HD21 ASN 5 7.161 -10.393 14.653 41 HD22 ASN 5 HD22 ASN 5 7.246 -8.845 13.876 42 H ALA 6 H ALA 6 4.725 -9.996 11.828 43 HA ALA 6 HA ALA 6 5.394 -10.406 9.702 44 HB1 ALA 6 HB1 ALA 6 6.829 -12.060 10.826 45 HB2 ALA 6 HB2 ALA 6 6.367 -12.564 9.201 46 HB3 ALA 6 HB3 ALA 6 5.572 -13.278 10.605 47 H TYR 7 H TYR 7 3.019 -9.857 9.453 48 HA TYR 7 HA TYR 7 1.189 -11.954 8.759 49 HB2 TYR 7 HB2 TYR 7 0.902 -9.014 8.133 50 HB3 TYR 7 HB3 TYR 7 -0.378 -10.205 8.283 51 HD1 TYR 7 HD1 TYR 7 -1.018 -11.040 10.557 52 HD2 TYR 7 HD2 TYR 7 1.744 -7.848 10.009 53 HE1 TYR 7 HE1 TYR 7 -1.379 -10.328 12.887 54 HE2 TYR 7 HE2 TYR 7 1.394 -7.135 12.333 55 HH TYR 7 HH TYR 7 -0.382 -7.316 14.053 56 H THR 8 H THR 8 -0.081 -11.557 6.605 57 HA THR 8 HA THR 8 1.726 -11.527 4.367 58 HB THR 8 HB THR 8 -0.456 -11.577 3.043 59 HG1 THR 8 HG1 THR 8 -1.847 -12.432 5.276 60 HG21 THR 8 HG21 THR 8 0.843 -13.601 3.537 61 HG22 THR 8 HG22 THR 8 -0.890 -13.925 3.560 62 HG23 THR 8 HG23 THR 8 -0.002 -13.765 5.076 63 H VAL 9 H VAL 9 1.094 -10.024 2.462 64 HA VAL 9 HA VAL 9 1.507 -7.369 3.352 65 HB VAL 9 HB VAL 9 2.341 -8.249 1.188 66 HG11 VAL 9 HG11 VAL 9 0.426 -9.514 0.458 67 HG12 VAL 9 HG12 VAL 9 0.837 -8.300 -0.753 68 HG13 VAL 9 HG13 VAL 9 -0.536 -8.043 0.324 69 HG21 VAL 9 HG21 VAL 9 1.906 -6.221 -0.127 70 HG22 VAL 9 HG22 VAL 9 2.290 -5.863 1.556 71 HG23 VAL 9 HG23 VAL 9 0.619 -5.784 0.997 72 H ALA 10 H ALA 10 -1.338 -9.202 2.598 73 HA ALA 10 HA ALA 10 -3.125 -6.984 2.383 74 HB1 ALA 10 HB1 ALA 10 -4.898 -8.658 2.551 75 HB2 ALA 10 HB2 ALA 10 -3.707 -9.879 3.000 76 HB3 ALA 10 HB3 ALA 10 -3.662 -9.152 1.394 77 H GLN 11 H GLN 11 -2.338 -9.300 4.970 78 HA GLN 11 HA GLN 11 -4.109 -8.195 6.878 79 HB2 GLN 11 HB2 GLN 11 -1.679 -9.955 7.151 80 HB3 GLN 11 HB3 GLN 11 -2.640 -9.450 8.533 81 HG2 GLN 11 HG2 GLN 11 -3.945 -10.795 6.212 82 HG3 GLN 11 HG3 GLN 11 -3.072 -11.741 7.413 83 HE21 GLN 11 HE21 GLN 11 -4.889 -8.819 8.148 84 HE22 GLN 11 HE22 GLN 11 -6.114 -9.611 9.079 85 H LEU 12 H LEU 12 -0.938 -7.276 5.847 86 HA LEU 12 HA LEU 12 -0.110 -5.801 8.087 87 HB2 LEU 12 HB2 LEU 12 1.343 -6.343 6.163 88 HB3 LEU 12 HB3 LEU 12 0.425 -5.230 5.167 89 HG LEU 12 HG LEU 12 1.142 -3.365 6.636 90 HD11 LEU 12 HD11 LEU 12 2.952 -3.732 8.229 91 HD12 LEU 12 HD12 LEU 12 2.871 -5.468 7.931 92 HD13 LEU 12 HD13 LEU 12 1.508 -4.637 8.682 93 HD21 LEU 12 HD21 LEU 12 3.468 -3.301 5.870 94 HD22 LEU 12 HD22 LEU 12 2.374 -3.846 4.599 95 HD23 LEU 12 HD23 LEU 12 3.375 -5.014 5.462 96 H ALA 13 H ALA 13 -2.377 -5.109 5.531 97 HA ALA 13 HA ALA 13 -2.655 -2.326 5.991 98 HB1 ALA 13 HB1 ALA 13 -4.727 -2.522 4.712 99 HB2 ALA 13 HB2 ALA 13 -4.629 -4.280 4.820 100 HB3 ALA 13 HB3 ALA 13 -3.403 -3.381 3.925 101 H ASP 14 H ASP 14 -4.340 -5.179 7.227 102 HA ASP 14 HA ASP 14 -6.273 -3.858 8.784 103 HB2 ASP 14 HB2 ASP 14 -4.949 -6.546 9.241 104 HB3 ASP 14 HB3 ASP 14 -6.383 -5.981 10.087 105 H GLU 15 H GLU 15 -3.002 -4.926 9.496 106 HA GLU 15 HA GLU 15 -2.970 -4.202 12.223 107 HB2 GLU 15 HB2 GLU 15 -1.358 -5.760 11.333 108 HB3 GLU 15 HB3 GLU 15 -0.763 -4.568 10.191 109 HG2 GLU 15 HG2 GLU 15 0.790 -4.881 12.019 110 HG3 GLU 15 HG3 GLU 15 0.140 -3.245 12.018 111 H TYR 16 H TYR 16 -2.028 -2.480 9.279 112 HA TYR 16 HA TYR 16 -0.892 -0.268 10.657 113 HB2 TYR 16 HB2 TYR 16 -0.171 -0.810 8.406 114 HB3 TYR 16 HB3 TYR 16 -1.797 -0.546 7.786 115 HD1 TYR 16 HD1 TYR 16 1.102 1.170 9.343 116 HD2 TYR 16 HD2 TYR 16 -2.515 1.608 7.145 117 HE1 TYR 16 HE1 TYR 16 1.642 3.533 8.930 118 HE2 TYR 16 HE2 TYR 16 -1.982 3.970 6.729 119 HH TYR 16 HH TYR 16 -0.637 5.747 7.686 120 H PHE 17 H PHE 17 -4.072 -0.766 9.096 121 HA PHE 17 HA PHE 17 -4.811 1.966 9.340 122 HB2 PHE 17 HB2 PHE 17 -6.725 1.412 8.237 123 HB3 PHE 17 HB3 PHE 17 -5.821 -0.052 7.877 124 HD1 PHE 17 HD2 PHE 17 -6.278 -2.121 9.190 125 HD2 PHE 17 HD1 PHE 17 -8.689 1.364 9.531 126 HE1 PHE 17 HE2 PHE 17 -8.067 -3.462 10.216 127 HE2 PHE 17 HE1 PHE 17 -10.483 0.032 10.553 128 HZ PHE 17 HZ PHE 17 -10.172 -2.386 10.899 129 H GLU 18 H GLU 18 -5.080 -0.788 11.444 130 HA GLU 18 HA GLU 18 -7.061 0.180 13.194 131 HB2 GLU 18 HB2 GLU 18 -5.529 -2.126 12.937 132 HB3 GLU 18 HB3 GLU 18 -5.019 -1.453 14.480 133 HG2 GLU 18 HG2 GLU 18 -7.853 -2.064 13.687 134 HG3 GLU 18 HG3 GLU 18 -6.838 -3.060 14.725 135 H ARG 19 H ARG 19 -3.767 1.049 12.768 136 HA ARG 19 HA ARG 19 -3.613 2.190 15.462 137 HB2 ARG 19 HB2 ARG 19 -1.360 2.192 13.475 138 HB3 ARG 19 HB3 ARG 19 -1.278 2.264 15.228 139 HG2 ARG 19 HG2 ARG 19 -1.948 -0.121 13.527 140 HG3 ARG 19 HG3 ARG 19 -0.518 0.120 14.530 141 HD2 ARG 19 HD2 ARG 19 -1.945 0.117 16.532 142 HD3 ARG 19 HD3 ARG 19 -3.358 -0.160 15.515 143 HE ARG 19 HE ARG 19 -1.404 -2.149 15.014 144 HH11 ARG 19 HH11 ARG 19 -3.837 -1.223 17.385 145 HH12 ARG 19 HH12 ARG 19 -3.983 -2.836 18.023 146 HH21 ARG 19 HH21 ARG 19 -1.618 -4.224 15.834 147 HH22 ARG 19 HH22 ARG 19 -2.710 -4.538 17.156 148 H MET 20 H MET 20 -3.256 3.119 12.054 149 HA MET 20 HA MET 20 -2.873 5.908 12.848 150 HB2 MET 20 HB2 MET 20 -2.716 4.609 10.125 151 HB3 MET 20 HB3 MET 20 -2.321 6.284 10.476 152 HG2 MET 20 HG2 MET 20 -0.902 3.886 11.612 153 HG3 MET 20 HG3 MET 20 -0.335 4.870 10.265 154 HE1 MET 20 HE1 MET 20 1.449 4.233 12.812 155 HE2 MET 20 HE2 MET 20 2.154 5.816 13.137 156 HE3 MET 20 HE3 MET 20 1.999 5.243 11.475 157 H ILE 21 H ILE 21 -5.294 3.872 11.432 158 HA ILE 21 HA ILE 21 -6.892 6.209 10.605 159 HB ILE 21 HB ILE 21 -7.360 3.316 9.860 160 HG12 ILE 21 HG12 ILE 21 -5.808 5.456 8.380 161 HG13 ILE 21 HG13 ILE 21 -5.151 3.971 9.058 162 HG21 ILE 21 HG21 ILE 21 -8.336 5.912 8.671 163 HG22 ILE 21 HG22 ILE 21 -9.299 4.747 9.582 164 HG23 ILE 21 HG23 ILE 21 -8.645 4.310 8.004 165 HD11 ILE 21 HD11 ILE 21 -5.396 3.801 6.654 166 HD12 ILE 21 HD12 ILE 21 -7.116 4.165 6.788 167 HD13 ILE 21 HD13 ILE 21 -6.476 2.670 7.469 168 H ALA 22 H ALA 22 -6.476 5.249 13.329 169 HA ALA 22 HA ALA 22 -9.249 4.551 14.016 170 HB1 ALA 22 HB1 ALA 22 -8.389 3.702 16.128 171 HB2 ALA 22 HB2 ALA 22 -6.754 4.173 15.662 172 HB3 ALA 22 HB3 ALA 22 -7.599 2.911 14.765 173 H GLY 23 H GLY 23 -7.561 7.190 13.590 174 HA2 GLY 23 HA2 GLY 23 -8.232 8.533 16.106 175 HA3 GLY 23 HA3 GLY 23 -7.282 9.212 14.790 176 H ARG 24 H ARG 24 -8.270 10.475 13.315 177 HA ARG 24 HA ARG 24 -11.209 10.423 13.264 178 HB2 ARG 24 HB2 ARG 24 -10.277 12.498 14.326 179 HB3 ARG 24 HB3 ARG 24 -9.493 12.870 12.799 180 HG2 ARG 24 HG2 ARG 24 -12.451 12.430 12.886 181 HG3 ARG 24 HG3 ARG 24 -11.770 13.976 13.392 182 HD2 ARG 24 HD2 ARG 24 -10.841 14.373 11.255 183 HD3 ARG 24 HD3 ARG 24 -11.118 12.712 10.741 184 HE ARG 24 HE ARG 24 -13.549 14.071 11.395 185 HH11 ARG 24 HH11 ARG 24 -11.129 13.656 8.900 186 HH12 ARG 24 HH12 ARG 24 -12.218 14.024 7.602 187 HH21 ARG 24 HH21 ARG 24 -15.003 14.534 9.669 188 HH22 ARG 24 HH22 ARG 24 -14.405 14.530 8.029 189 H TRP 25 H TRP 25 -11.336 9.052 11.565 190 HA TRP 25 HA TRP 25 -10.142 9.958 9.041 191 HB2 TRP 25 HB2 TRP 25 -10.171 7.653 8.298 192 HB3 TRP 25 HB3 TRP 25 -9.376 7.732 9.854 193 HD1 TRP 25 HD1 TRP 25 -11.960 5.903 8.043 194 HE1 TRP 25 HE1 TRP 25 -13.282 4.360 9.618 195 HE3 TRP 25 HE3 TRP 25 -10.402 7.775 12.525 196 HZ2 TRP 25 HZ2 TRP 25 -13.629 3.985 12.377 197 HZ3 TRP 25 HZ3 TRP 25 -11.280 6.767 14.587 198 HH2 TRP 25 HH2 TRP 25 -12.860 4.912 14.513 199 H LYS 26 H LYS 26 -13.026 8.514 10.475 200 HA LYS 26 HA LYS 26 -15.226 8.730 10.075 201 HB2 LYS 26 HB2 LYS 26 -14.149 11.199 9.180 202 HB3 LYS 26 HB3 LYS 26 -15.384 10.704 8.028 203 HG2 LYS 26 HG2 LYS 26 -16.228 12.118 9.885 204 HG3 LYS 26 HG3 LYS 26 -17.033 10.550 9.751 205 HD2 LYS 26 HD2 LYS 26 -15.468 9.698 11.510 206 HD3 LYS 26 HD3 LYS 26 -14.887 11.352 11.718 207 HE2 LYS 26 HE2 LYS 26 -17.080 12.079 12.392 208 HE3 LYS 26 HE3 LYS 26 -17.757 10.488 12.048 209 HZ1 LYS 26 HZ1 LYS 26 -16.405 9.547 13.793 210 HZ2 LYS 26 HZ2 LYS 26 -17.331 10.822 14.425 211 HZ3 LYS 26 HZ3 LYS 26 -15.682 11.049 14.103 212 H HIS 27 H HIS 27 -16.772 7.881 8.790 213 HA HIS 27 HA HIS 27 -17.565 6.382 7.269 214 HB2 HIS 27 HB2 HIS 27 -17.024 8.703 5.958 215 HB3 HIS 27 HB3 HIS 27 -16.060 7.573 5.017 216 HD1 HIS 27 HD1 HIS 27 -18.355 8.915 3.626 217 HD2 HIS 27 HD2 HIS 27 -18.775 5.320 5.684 218 HE1 HIS 27 HE1 HIS 27 -20.391 7.805 2.649 219 HE2 HIS 27 HE2 HIS 27 -20.729 5.722 4.026 220 HA PRO 28 HA PRO 28 -13.370 4.257 7.742 221 HB2 PRO 28 HB2 PRO 28 -14.609 1.853 8.478 222 HB3 PRO 28 HB3 PRO 28 -13.950 3.066 9.579 223 HG2 PRO 28 HG2 PRO 28 -16.766 2.636 8.696 224 HG3 PRO 28 HG3 PRO 28 -16.147 3.115 10.287 225 HD2 PRO 28 HD2 PRO 28 -17.268 4.901 8.653 226 HD3 PRO 28 HD3 PRO 28 -15.853 5.329 9.638 227 H ASN 29 H ASN 29 -16.318 3.157 6.116 228 HA ASN 29 HA ASN 29 -15.161 1.027 4.673 229 HB2 ASN 29 HB2 ASN 29 -17.537 1.096 4.880 230 HB3 ASN 29 HB3 ASN 29 -17.619 2.713 4.191 231 HD21 ASN 29 HD21 ASN 29 -17.579 2.975 2.008 232 HD22 ASN 29 HD22 ASN 29 -17.662 1.660 0.893 233 H ILE 30 H ILE 30 -15.359 4.472 4.060 234 HA ILE 30 HA ILE 30 -14.768 4.418 1.300 235 HB ILE 30 HB ILE 30 -14.322 6.576 3.368 236 HG12 ILE 30 HG12 ILE 30 -16.661 6.032 2.973 237 HG13 ILE 30 HG13 ILE 30 -16.292 7.606 2.279 238 HG21 ILE 30 HG21 ILE 30 -14.092 6.808 0.370 239 HG22 ILE 30 HG22 ILE 30 -12.754 6.883 1.514 240 HG23 ILE 30 HG23 ILE 30 -13.994 8.137 1.525 241 HD11 ILE 30 HD11 ILE 30 -16.172 6.614 0.061 242 HD12 ILE 30 HD12 ILE 30 -17.728 6.287 0.823 243 HD13 ILE 30 HD13 ILE 30 -16.501 5.023 0.748 244 H VAL 31 H VAL 31 -12.650 4.921 4.126 245 HA VAL 31 HA VAL 31 -10.286 5.023 2.545 246 HB VAL 31 HB VAL 31 -10.417 6.098 4.754 247 HG11 VAL 31 HG11 VAL 31 -10.401 3.296 5.857 248 HG12 VAL 31 HG12 VAL 31 -11.729 4.454 5.958 249 HG13 VAL 31 HG13 VAL 31 -10.212 4.774 6.801 250 HG21 VAL 31 HG21 VAL 31 -8.209 5.407 5.573 251 HG22 VAL 31 HG22 VAL 31 -8.245 5.610 3.821 252 HG23 VAL 31 HG23 VAL 31 -8.278 3.992 4.521 253 H ARG 32 H ARG 32 -12.001 2.456 4.245 254 HA ARG 32 HA ARG 32 -10.048 0.454 4.102 255 HB2 ARG 32 HB2 ARG 32 -12.208 0.299 5.368 256 HB3 ARG 32 HB3 ARG 32 -13.037 0.064 3.838 257 HG2 ARG 32 HG2 ARG 32 -12.751 -2.076 4.807 258 HG3 ARG 32 HG3 ARG 32 -11.599 -1.961 3.475 259 HD2 ARG 32 HD2 ARG 32 -9.860 -1.303 5.160 260 HD3 ARG 32 HD3 ARG 32 -11.033 -1.671 6.422 261 HE ARG 32 HE ARG 32 -10.319 -3.762 4.483 262 HH11 ARG 32 HH11 ARG 32 -10.359 -2.570 7.770 263 HH12 ARG 32 HH12 ARG 32 -9.732 -4.040 8.453 264 HH21 ARG 32 HH21 ARG 32 -9.462 -5.681 5.375 265 HH22 ARG 32 HH22 ARG 32 -9.153 -5.784 7.085 266 H SER 33 H SER 33 -12.565 1.398 1.804 267 HA SER 33 HA SER 33 -12.190 -0.553 -0.132 268 HB2 SER 33 HB2 SER 33 -14.050 1.088 -0.106 269 HB3 SER 33 HB3 SER 33 -12.919 2.358 -0.569 270 HG SER 33 HG SER 33 -13.804 0.125 -2.074 271 H ARG 34 H ARG 34 -10.627 2.639 0.131 272 HA ARG 34 HA ARG 34 -9.059 2.453 -2.186 273 HB2 ARG 34 HB2 ARG 34 -8.888 4.069 0.322 274 HB3 ARG 34 HB3 ARG 34 -7.500 4.044 -0.754 275 HG2 ARG 34 HG2 ARG 34 -8.877 5.963 -1.222 276 HG3 ARG 34 HG3 ARG 34 -8.921 4.847 -2.586 277 HD2 ARG 34 HD2 ARG 34 -11.093 4.043 -1.910 278 HD3 ARG 34 HD3 ARG 34 -11.038 5.019 -0.444 279 HE ARG 34 HE ARG 34 -10.723 6.710 -2.671 280 HH11 ARG 34 HH11 ARG 34 -13.190 4.727 -1.149 281 HH12 ARG 34 HH12 ARG 34 -14.501 5.706 -1.723 282 HH21 ARG 34 HH21 ARG 34 -12.461 8.008 -3.392 283 HH22 ARG 34 HH22 ARG 34 -14.095 7.577 -2.977 284 H ILE 35 H ILE 35 -8.393 1.437 1.136 285 HA ILE 35 HA ILE 35 -5.690 0.768 0.754 286 HB ILE 35 HB ILE 35 -7.661 -0.430 2.704 287 HG12 ILE 35 HG12 ILE 35 -5.670 1.818 3.060 288 HG13 ILE 35 HG13 ILE 35 -7.407 2.032 2.871 289 HG21 ILE 35 HG21 ILE 35 -5.682 -1.831 2.424 290 HG22 ILE 35 HG22 ILE 35 -5.694 -1.057 4.010 291 HG23 ILE 35 HG23 ILE 35 -4.647 -0.437 2.734 292 HD11 ILE 35 HD11 ILE 35 -6.041 0.592 5.133 293 HD12 ILE 35 HD12 ILE 35 -7.782 0.808 4.943 294 HD13 ILE 35 HD13 ILE 35 -6.743 2.209 5.194 295 H GLU 36 H GLU 36 -8.650 -1.099 0.268 296 HA GLU 36 HA GLU 36 -7.139 -3.551 -0.003 297 HB2 GLU 36 HB2 GLU 36 -10.110 -3.104 -0.249 298 HB3 GLU 36 HB3 GLU 36 -9.299 -4.658 -0.102 299 HG2 GLU 36 HG2 GLU 36 -8.434 -3.911 2.110 300 HG3 GLU 36 HG3 GLU 36 -9.448 -2.478 1.961 301 H LYS 37 H LYS 37 -8.927 -1.371 -2.186 302 HA LYS 37 HA LYS 37 -8.273 -3.288 -4.322 303 HB2 LYS 37 HB2 LYS 37 -10.073 -2.280 -5.660 304 HB3 LYS 37 HB3 LYS 37 -10.646 -2.977 -4.156 305 HG2 LYS 37 HG2 LYS 37 -11.843 -1.012 -4.325 306 HG3 LYS 37 HG3 LYS 37 -10.523 -0.578 -3.240 307 HD2 LYS 37 HD2 LYS 37 -10.912 1.171 -4.899 308 HD3 LYS 37 HD3 LYS 37 -9.321 0.444 -5.114 309 HE2 LYS 37 HE2 LYS 37 -10.455 0.804 -7.257 310 HE3 LYS 37 HE3 LYS 37 -10.155 -0.905 -6.950 311 HZ1 LYS 37 HZ1 LYS 37 -12.409 -1.280 -6.470 312 HZ2 LYS 37 HZ2 LYS 37 -12.420 -0.291 -7.850 313 HZ3 LYS 37 HZ3 LYS 37 -12.754 0.376 -6.322 314 H ASP 38 H ASP 38 -7.161 -0.422 -3.105 315 HA ASP 38 HA ASP 38 -6.129 0.349 -5.761 316 HB2 ASP 38 HB2 ASP 38 -7.573 2.052 -4.507 317 HB3 ASP 38 HB3 ASP 38 -6.240 2.197 -3.371 318 H ILE 39 H ILE 39 -5.298 0.421 -2.304 319 HA ILE 39 HA ILE 39 -2.500 0.646 -2.770 320 HB ILE 39 HB ILE 39 -3.952 -0.183 -0.251 321 HG12 ILE 39 HG12 ILE 39 -2.955 2.526 -1.159 322 HG13 ILE 39 HG13 ILE 39 -4.641 2.028 -1.088 323 HG21 ILE 39 HG21 ILE 39 -1.925 0.488 0.922 324 HG22 ILE 39 HG22 ILE 39 -1.141 0.846 -0.617 325 HG23 ILE 39 HG23 ILE 39 -1.591 -0.812 -0.222 326 HD11 ILE 39 HD11 ILE 39 -4.088 3.425 0.799 327 HD12 ILE 39 HD12 ILE 39 -2.772 2.340 1.251 328 HD13 ILE 39 HD13 ILE 39 -4.444 1.787 1.346 329 H LYS 40 H LYS 40 -4.564 -2.084 -1.745 330 HA LYS 40 HA LYS 40 -2.434 -3.916 -2.653 331 HB2 LYS 40 HB2 LYS 40 -4.426 -4.076 -0.443 332 HB3 LYS 40 HB3 LYS 40 -4.002 -5.569 -1.264 333 HG2 LYS 40 HG2 LYS 40 -2.662 -5.256 0.726 334 HG3 LYS 40 HG3 LYS 40 -1.659 -5.216 -0.722 335 HD2 LYS 40 HD2 LYS 40 -1.705 -2.744 -0.634 336 HD3 LYS 40 HD3 LYS 40 -2.600 -2.849 0.884 337 HE2 LYS 40 HE2 LYS 40 -0.785 -3.990 1.937 338 HE3 LYS 40 HE3 LYS 40 0.101 -4.090 0.419 339 HZ1 LYS 40 HZ1 LYS 40 0.973 -2.322 1.768 340 HZ2 LYS 40 HZ2 LYS 40 -0.553 -1.616 1.917 341 HZ3 LYS 40 HZ3 LYS 40 0.214 -1.656 0.410 342 HA PRO 41 HA PRO 41 -6.276 -4.118 -5.375 343 HB2 PRO 41 HB2 PRO 41 -5.098 -3.813 -7.793 344 HB3 PRO 41 HB3 PRO 41 -5.570 -2.447 -6.777 345 HG2 PRO 41 HG2 PRO 41 -2.877 -3.685 -7.158 346 HG3 PRO 41 HG3 PRO 41 -3.319 -1.971 -7.044 347 HD2 PRO 41 HD2 PRO 41 -2.270 -3.387 -4.966 348 HD3 PRO 41 HD3 PRO 41 -3.366 -2.008 -4.751 349 H ALA 42 H ALA 42 -3.124 -5.632 -5.966 350 HA ALA 42 HA ALA 42 -4.545 -8.089 -6.701 351 HB1 ALA 42 HB1 ALA 42 -2.121 -7.009 -8.129 352 HB2 ALA 42 HB2 ALA 42 -3.770 -7.014 -8.754 353 HB3 ALA 42 HB3 ALA 42 -2.930 -8.539 -8.469 354 H ILE 43 H ILE 43 -2.568 -6.705 -4.559 355 HA ILE 43 HA ILE 43 -0.939 -9.122 -4.194 356 HB ILE 43 HB ILE 43 0.500 -7.577 -2.727 357 HG12 ILE 43 HG12 ILE 43 -0.723 -5.444 -4.484 358 HG13 ILE 43 HG13 ILE 43 -1.262 -5.726 -2.834 359 HG21 ILE 43 HG21 ILE 43 1.799 -6.838 -4.676 360 HG22 ILE 43 HG22 ILE 43 0.427 -7.213 -5.720 361 HG23 ILE 43 HG23 ILE 43 1.247 -8.505 -4.843 362 HD11 ILE 43 HD11 ILE 43 1.505 -4.916 -3.703 363 HD12 ILE 43 HD12 ILE 43 1.015 -5.247 -2.041 364 HD13 ILE 43 HD13 ILE 43 0.305 -3.891 -2.917 365 H GLY 44 H GLY 44 -2.192 -10.319 -2.896 366 HA2 GLY 44 HA2 GLY 44 -2.581 -9.292 -0.175 367 HA3 GLY 44 HA3 GLY 44 -3.959 -9.992 -1.013 368 H SER 45 H SER 45 -2.676 -12.065 -2.347 369 HA SER 45 HA SER 45 -2.481 -13.978 -0.208 370 HB2 SER 45 HB2 SER 45 -2.169 -14.423 -3.184 371 HB3 SER 45 HB3 SER 45 -2.582 -15.627 -1.962 372 HG SER 45 HG SER 45 -4.354 -13.712 -1.696 373 H LEU 46 H LEU 46 -0.331 -12.055 -0.368 374 HA LEU 46 HA LEU 46 1.894 -13.935 -0.392 375 HB2 LEU 46 HB2 LEU 46 3.361 -12.182 -1.463 376 HB3 LEU 46 HB3 LEU 46 2.228 -12.984 -2.530 377 HG LEU 46 HG LEU 46 1.451 -10.355 -1.336 378 HD11 LEU 46 HD11 LEU 46 3.732 -9.995 -2.141 379 HD12 LEU 46 HD12 LEU 46 2.558 -9.194 -3.187 380 HD13 LEU 46 HD13 LEU 46 3.302 -10.710 -3.695 381 HD21 LEU 46 HD21 LEU 46 0.317 -10.127 -3.499 382 HD22 LEU 46 HD22 LEU 46 -0.159 -11.612 -2.676 383 HD23 LEU 46 HD23 LEU 46 0.990 -11.674 -4.013 384 H LYS 47 H LYS 47 3.805 -12.996 0.793 385 HA LYS 47 HA LYS 47 2.755 -11.613 3.123 386 HB2 LYS 47 HB2 LYS 47 5.357 -13.037 2.614 387 HB3 LYS 47 HB3 LYS 47 5.049 -12.115 4.080 388 HG2 LYS 47 HG2 LYS 47 2.884 -13.649 4.128 389 HG3 LYS 47 HG3 LYS 47 3.945 -14.717 3.203 390 HD2 LYS 47 HD2 LYS 47 4.561 -13.492 5.889 391 HD3 LYS 47 HD3 LYS 47 4.115 -15.173 5.597 392 HE2 LYS 47 HE2 LYS 47 6.131 -15.583 4.409 393 HE3 LYS 47 HE3 LYS 47 6.524 -13.868 4.352 394 HZ1 LYS 47 HZ1 LYS 47 6.222 -15.196 6.958 395 HZ2 LYS 47 HZ2 LYS 47 7.159 -13.838 6.540 396 HZ3 LYS 47 HZ3 LYS 47 7.662 -15.396 6.084 397 H VAL 48 H VAL 48 4.642 -10.235 4.227 398 HA VAL 48 HA VAL 48 4.767 -7.894 2.532 399 HB VAL 48 HB VAL 48 5.867 -8.178 5.333 400 HG11 VAL 48 HG11 VAL 48 5.485 -5.765 5.443 401 HG12 VAL 48 HG12 VAL 48 4.905 -5.780 3.778 402 HG13 VAL 48 HG13 VAL 48 6.585 -6.186 4.129 403 HG21 VAL 48 HG21 VAL 48 3.705 -7.306 6.121 404 HG22 VAL 48 HG22 VAL 48 3.553 -8.892 5.366 405 HG23 VAL 48 HG23 VAL 48 3.069 -7.443 4.483 406 H GLU 49 H GLU 49 6.956 -10.257 3.909 407 HA GLU 49 HA GLU 49 9.353 -8.923 3.075 408 HB2 GLU 49 HB2 GLU 49 9.098 -11.877 3.622 409 HB3 GLU 49 HB3 GLU 49 10.510 -10.853 3.828 410 HG2 GLU 49 HG2 GLU 49 9.908 -11.036 5.997 411 HG3 GLU 49 HG3 GLU 49 8.900 -9.654 5.570 412 H ASP 50 H ASP 50 6.953 -10.638 1.469 413 HA ASP 50 HA ASP 50 8.803 -11.609 -0.593 414 HB2 ASP 50 HB2 ASP 50 7.308 -13.256 0.601 415 HB3 ASP 50 HB3 ASP 50 5.943 -12.477 -0.193 416 H VAL 51 H VAL 51 6.489 -9.207 0.001 417 HA VAL 51 HA VAL 51 5.599 -8.968 -2.717 418 HB VAL 51 HB VAL 51 4.108 -8.158 -0.994 419 HG11 VAL 51 HG11 VAL 51 6.221 -6.124 -0.308 420 HG12 VAL 51 HG12 VAL 51 5.738 -7.496 0.690 421 HG13 VAL 51 HG13 VAL 51 4.591 -6.195 0.365 422 HG21 VAL 51 HG21 VAL 51 5.189 -5.907 -2.681 423 HG22 VAL 51 HG22 VAL 51 3.627 -5.908 -1.863 424 HG23 VAL 51 HG23 VAL 51 3.949 -7.072 -3.147 425 H LYS 52 H LYS 52 7.504 -8.975 -3.851 426 HA LYS 52 HA LYS 52 9.665 -7.227 -3.392 427 HB2 LYS 52 HB2 LYS 52 8.930 -8.532 -6.010 428 HB3 LYS 52 HB3 LYS 52 10.529 -8.026 -5.489 429 HG2 LYS 52 HG2 LYS 52 8.892 -10.283 -4.347 430 HG3 LYS 52 HG3 LYS 52 10.348 -10.420 -5.331 431 HD2 LYS 52 HD2 LYS 52 11.678 -9.410 -3.593 432 HD3 LYS 52 HD3 LYS 52 10.234 -9.090 -2.628 433 HE2 LYS 52 HE2 LYS 52 9.832 -11.528 -2.500 434 HE3 LYS 52 HE3 LYS 52 11.343 -11.795 -3.370 435 HZ1 LYS 52 HZ1 LYS 52 11.097 -10.439 -0.736 436 HZ2 LYS 52 HZ2 LYS 52 12.541 -10.739 -1.566 437 HZ3 LYS 52 HZ3 LYS 52 11.618 -12.032 -0.977 438 HA PRO 53 HA PRO 53 8.716 -3.259 -4.901 439 HB2 PRO 53 HB2 PRO 53 10.926 -3.589 -6.883 440 HB3 PRO 53 HB3 PRO 53 10.625 -2.278 -5.737 441 HG2 PRO 53 HG2 PRO 53 12.497 -4.093 -5.237 442 HG3 PRO 53 HG3 PRO 53 11.461 -3.477 -3.937 443 HD2 PRO 53 HD2 PRO 53 11.385 -6.105 -5.338 444 HD3 PRO 53 HD3 PRO 53 11.005 -5.712 -3.651 445 H ARG 54 H ARG 54 9.279 -5.646 -7.451 446 HA ARG 54 HA ARG 54 8.319 -4.236 -9.645 447 HB2 ARG 54 HB2 ARG 54 9.464 -6.499 -9.588 448 HB3 ARG 54 HB3 ARG 54 7.894 -7.182 -9.195 449 HG2 ARG 54 HG2 ARG 54 7.005 -6.260 -11.305 450 HG3 ARG 54 HG3 ARG 54 8.631 -5.699 -11.705 451 HD2 ARG 54 HD2 ARG 54 9.383 -8.096 -11.376 452 HD3 ARG 54 HD3 ARG 54 7.674 -8.523 -11.354 453 HE ARG 54 HE ARG 54 7.872 -7.151 -13.651 454 HH11 ARG 54 HH11 ARG 54 9.718 -9.787 -12.276 455 HH12 ARG 54 HH12 ARG 54 10.244 -10.400 -13.818 456 HH21 ARG 54 HH21 ARG 54 8.530 -7.956 -15.681 457 HH22 ARG 54 HH22 ARG 54 9.550 -9.365 -15.767 458 H HIS 55 H HIS 55 6.578 -6.006 -7.167 459 HA HIS 55 HA HIS 55 4.045 -6.041 -8.422 460 HB2 HIS 55 HB2 HIS 55 4.843 -6.194 -5.510 461 HB3 HIS 55 HB3 HIS 55 3.184 -6.382 -6.070 462 HD1 HIS 55 HD1 HIS 55 5.616 -8.471 -4.891 463 HD2 HIS 55 HD2 HIS 55 3.493 -8.448 -8.454 464 HE1 HIS 55 HE1 HIS 55 5.721 -10.835 -5.750 465 HE2 HIS 55 HE2 HIS 55 4.494 -10.784 -7.953 466 H ILE 56 H ILE 56 5.717 -3.715 -6.458 467 HA ILE 56 HA ILE 56 3.535 -2.030 -5.835 468 HB ILE 56 HB ILE 56 6.459 -1.291 -6.079 469 HG12 ILE 56 HG12 ILE 56 6.152 -3.141 -4.519 470 HG13 ILE 56 HG13 ILE 56 6.541 -1.668 -3.638 471 HG21 ILE 56 HG21 ILE 56 4.207 0.069 -4.607 472 HG22 ILE 56 HG22 ILE 56 5.021 0.662 -6.054 473 HG23 ILE 56 HG23 ILE 56 5.908 0.532 -4.535 474 HD11 ILE 56 HD11 ILE 56 4.816 -2.938 -2.508 475 HD12 ILE 56 HD12 ILE 56 3.802 -2.876 -3.950 476 HD13 ILE 56 HD13 ILE 56 4.178 -1.393 -3.072 477 H ASP 57 H ASP 57 5.681 -2.240 -8.624 478 HA ASP 57 HA ASP 57 4.898 0.218 -9.803 479 HB2 ASP 57 HB2 ASP 57 6.908 -1.073 -10.514 480 HB3 ASP 57 HB3 ASP 57 5.845 -2.284 -11.222 481 H ASP 58 H ASP 58 3.672 -3.073 -9.995 482 HA ASP 58 HA ASP 58 1.749 -2.676 -11.994 483 HB2 ASP 58 HB2 ASP 58 2.032 -4.693 -9.794 484 HB3 ASP 58 HB3 ASP 58 0.573 -4.658 -10.779 485 H VAL 59 H VAL 59 1.565 -2.174 -8.496 486 HA VAL 59 HA VAL 59 -1.250 -1.703 -8.520 487 HB VAL 59 HB VAL 59 -1.110 -1.047 -6.258 488 HG11 VAL 59 HG11 VAL 59 1.040 -3.095 -6.740 489 HG12 VAL 59 HG12 VAL 59 -0.691 -3.404 -6.613 490 HG13 VAL 59 HG13 VAL 59 0.206 -2.817 -5.212 491 HG21 VAL 59 HG21 VAL 59 1.849 -0.629 -6.628 492 HG22 VAL 59 HG22 VAL 59 0.987 -0.529 -5.093 493 HG23 VAL 59 HG23 VAL 59 0.633 0.624 -6.379 494 H LEU 60 H LEU 60 1.594 0.310 -8.902 495 HA LEU 60 HA LEU 60 0.289 2.816 -8.775 496 HB2 LEU 60 HB2 LEU 60 2.818 1.986 -10.202 497 HB3 LEU 60 HB3 LEU 60 2.281 3.647 -10.036 498 HG LEU 60 HG LEU 60 3.024 1.805 -7.764 499 HD11 LEU 60 HD11 LEU 60 4.953 3.281 -7.504 500 HD12 LEU 60 HD12 LEU 60 4.456 4.186 -8.934 501 HD13 LEU 60 HD13 LEU 60 4.949 2.499 -9.085 502 HD21 LEU 60 HD21 LEU 60 2.816 3.811 -6.367 503 HD22 LEU 60 HD22 LEU 60 1.281 3.382 -7.122 504 HD23 LEU 60 HD23 LEU 60 2.234 4.718 -7.763 505 H LYS 61 H LYS 61 1.103 0.661 -11.466 506 HA LYS 61 HA LYS 61 0.132 2.099 -13.618 507 HB2 LYS 61 HB2 LYS 61 -0.114 -0.868 -13.092 508 HB3 LYS 61 HB3 LYS 61 -0.347 -0.105 -14.658 509 HG2 LYS 61 HG2 LYS 61 1.879 0.297 -14.953 510 HG3 LYS 61 HG3 LYS 61 2.210 0.339 -13.220 511 HD2 LYS 61 HD2 LYS 61 3.143 -1.655 -14.286 512 HD3 LYS 61 HD3 LYS 61 1.937 -2.060 -13.076 513 HE2 LYS 61 HE2 LYS 61 0.300 -2.511 -14.756 514 HE3 LYS 61 HE3 LYS 61 1.355 -1.886 -16.021 515 HZ1 LYS 61 HZ1 LYS 61 1.327 -4.326 -15.936 516 HZ2 LYS 61 HZ2 LYS 61 1.928 -4.281 -14.349 517 HZ3 LYS 61 HZ3 LYS 61 2.875 -3.703 -15.634 518 H ALA 62 H ALA 62 -1.609 -0.216 -11.606 519 HA ALA 62 HA ALA 62 -4.133 -0.006 -12.699 520 HB1 ALA 62 HB1 ALA 62 -4.991 -0.819 -10.571 521 HB2 ALA 62 HB2 ALA 62 -3.462 -0.414 -9.790 522 HB3 ALA 62 HB3 ALA 62 -3.515 -1.668 -11.028 523 H VAL 63 H VAL 63 -2.902 1.928 -9.924 524 HA VAL 63 HA VAL 63 -5.326 3.408 -9.737 525 HB VAL 63 HB VAL 63 -3.983 3.170 -7.765 526 HG11 VAL 63 HG11 VAL 63 -1.846 4.760 -9.160 527 HG12 VAL 63 HG12 VAL 63 -1.780 3.044 -8.755 528 HG13 VAL 63 HG13 VAL 63 -1.831 4.251 -7.470 529 HG21 VAL 63 HG21 VAL 63 -4.075 6.038 -8.679 530 HG22 VAL 63 HG22 VAL 63 -3.823 5.516 -7.015 531 HG23 VAL 63 HG23 VAL 63 -5.342 5.151 -7.832 532 H MET 64 H MET 64 -2.534 3.763 -11.730 533 HA MET 64 HA MET 64 -3.048 6.517 -12.380 534 HB2 MET 64 HB2 MET 64 -1.319 4.413 -13.678 535 HB3 MET 64 HB3 MET 64 -1.488 6.039 -14.326 536 HG2 MET 64 HG2 MET 64 -0.620 6.958 -12.233 537 HG3 MET 64 HG3 MET 64 -0.433 5.324 -11.600 538 HE1 MET 64 HE1 MET 64 3.270 6.444 -12.207 539 HE2 MET 64 HE2 MET 64 2.123 5.784 -11.041 540 HE3 MET 64 HE3 MET 64 1.927 7.434 -11.634 541 H LYS 65 H LYS 65 -3.957 3.378 -13.720 542 HA LYS 65 HA LYS 65 -4.978 4.589 -16.122 543 HB2 LYS 65 HB2 LYS 65 -5.560 2.328 -16.813 544 HB3 LYS 65 HB3 LYS 65 -3.915 2.422 -16.229 545 HG2 LYS 65 HG2 LYS 65 -4.561 0.469 -15.272 546 HG3 LYS 65 HG3 LYS 65 -4.996 1.596 -13.988 547 HD2 LYS 65 HD2 LYS 65 -6.787 -0.005 -14.379 548 HD3 LYS 65 HD3 LYS 65 -7.304 1.628 -14.798 549 HE2 LYS 65 HE2 LYS 65 -6.762 1.100 -17.177 550 HE3 LYS 65 HE3 LYS 65 -6.468 -0.566 -16.683 551 HZ1 LYS 65 HZ1 LYS 65 -9.029 0.922 -16.454 552 HZ2 LYS 65 HZ2 LYS 65 -8.770 -0.643 -15.848 553 HZ3 LYS 65 HZ3 LYS 65 -8.692 -0.355 -17.521 554 H ARG 66 H ARG 66 -6.416 3.103 -13.242 555 HA ARG 66 HA ARG 66 -9.034 4.023 -14.224 556 HB2 ARG 66 HB2 ARG 66 -9.990 2.539 -12.416 557 HB3 ARG 66 HB3 ARG 66 -9.197 1.727 -13.752 558 HG2 ARG 66 HG2 ARG 66 -8.481 0.550 -11.902 559 HG3 ARG 66 HG3 ARG 66 -7.138 1.648 -12.219 560 HD2 ARG 66 HD2 ARG 66 -8.042 3.170 -10.483 561 HD3 ARG 66 HD3 ARG 66 -9.289 1.972 -10.131 562 HE ARG 66 HE ARG 66 -7.125 0.492 -9.805 563 HH11 ARG 66 HH11 ARG 66 -7.819 3.718 -8.667 564 HH12 ARG 66 HH12 ARG 66 -6.721 3.629 -7.318 565 HH21 ARG 66 HH21 ARG 66 -5.638 0.376 -8.074 566 HH22 ARG 66 HH22 ARG 66 -5.433 1.749 -7.018 567 H GLY 67 H GLY 67 -6.726 5.372 -12.644 568 HA2 GLY 67 HA2 GLY 67 -8.604 6.942 -11.032 569 HA3 GLY 67 HA3 GLY 67 -7.120 6.368 -10.279 570 H ALA 68 H ALA 68 -5.921 8.147 -10.013 571 HA ALA 68 HA ALA 68 -5.127 9.614 -12.408 572 HB1 ALA 68 HB1 ALA 68 -6.948 10.928 -11.419 573 HB2 ALA 68 HB2 ALA 68 -5.406 11.776 -11.315 574 HB3 ALA 68 HB3 ALA 68 -6.073 10.983 -9.889 575 HA PRO 69 HA PRO 69 -1.072 9.064 -10.798 576 HB2 PRO 69 HB2 PRO 69 0.058 11.456 -11.626 577 HB3 PRO 69 HB3 PRO 69 -0.126 10.018 -12.633 578 HG2 PRO 69 HG2 PRO 69 -1.845 12.458 -12.482 579 HG3 PRO 69 HG3 PRO 69 -1.349 11.517 -13.902 580 HD2 PRO 69 HD2 PRO 69 -3.799 11.259 -12.868 581 HD3 PRO 69 HD3 PRO 69 -2.921 9.856 -13.510 582 H SER 70 H SER 70 -2.814 12.014 -10.081 583 HA SER 70 HA SER 70 -1.183 13.124 -8.122 584 HB2 SER 70 HB2 SER 70 -4.206 13.139 -8.056 585 HB3 SER 70 HB3 SER 70 -3.102 14.376 -7.452 586 HG SER 70 HG SER 70 -4.214 14.316 -9.800 587 H ILE 71 H ILE 71 -3.557 10.536 -7.920 588 HA ILE 71 HA ILE 71 -3.458 10.350 -5.058 589 HB ILE 71 HB ILE 71 -4.631 8.500 -7.144 590 HG12 ILE 71 HG12 ILE 71 -6.781 9.238 -5.942 591 HG13 ILE 71 HG13 ILE 71 -5.800 10.507 -5.219 592 HG21 ILE 71 HG21 ILE 71 -5.680 7.271 -5.308 593 HG22 ILE 71 HG22 ILE 71 -4.791 8.255 -4.144 594 HG23 ILE 71 HG23 ILE 71 -3.920 7.174 -5.232 595 HD11 ILE 71 HD11 ILE 71 -6.992 11.353 -7.133 596 HD12 ILE 71 HD12 ILE 71 -6.305 10.090 -8.154 597 HD13 ILE 71 HD13 ILE 71 -5.259 11.334 -7.466 598 H ALA 72 H ALA 72 -1.956 8.682 -7.772 599 HA ALA 72 HA ALA 72 -0.906 6.464 -6.496 600 HB1 ALA 72 HB1 ALA 72 -0.885 6.767 -8.914 601 HB2 ALA 72 HB2 ALA 72 0.724 6.372 -8.308 602 HB3 ALA 72 HB3 ALA 72 0.332 8.034 -8.750 603 H ASN 73 H ASN 73 0.530 9.692 -6.825 604 HA ASN 73 HA ASN 73 3.008 9.132 -5.625 605 HB2 ASN 73 HB2 ASN 73 1.467 11.740 -5.627 606 HB3 ASN 73 HB3 ASN 73 3.180 11.564 -5.265 607 HD21 ASN 73 HD21 ASN 73 1.783 13.071 -7.362 608 HD22 ASN 73 HD22 ASN 73 2.445 12.514 -8.850 609 H ASP 74 H ASP 74 -0.008 10.357 -4.266 610 HA ASP 74 HA ASP 74 0.888 10.626 -1.606 611 HB2 ASP 74 HB2 ASP 74 -1.182 11.662 -2.447 612 HB3 ASP 74 HB3 ASP 74 -1.912 10.069 -2.612 613 H THR 75 H THR 75 -0.624 7.927 -3.322 614 HA THR 75 HA THR 75 -0.919 6.170 -1.170 615 HB THR 75 HB THR 75 -0.289 5.447 -4.045 616 HG1 THR 75 HG1 THR 75 -2.711 5.231 -3.994 617 HG21 THR 75 HG21 THR 75 -1.693 3.879 -1.878 618 HG22 THR 75 HG22 THR 75 -0.075 3.553 -2.500 619 HG23 THR 75 HG23 THR 75 -1.478 3.367 -3.552 620 H LEU 76 H LEU 76 1.888 6.793 -3.253 621 HA LEU 76 HA LEU 76 3.548 4.750 -2.266 622 HB2 LEU 76 HB2 LEU 76 4.182 7.439 -3.469 623 HB3 LEU 76 HB3 LEU 76 5.424 6.287 -3.021 624 HG LEU 76 HG LEU 76 3.243 5.759 -5.043 625 HD11 LEU 76 HD11 LEU 76 6.160 6.421 -5.416 626 HD12 LEU 76 HD12 LEU 76 4.792 7.444 -5.854 627 HD13 LEU 76 HD13 LEU 76 5.055 5.915 -6.694 628 HD21 LEU 76 HD21 LEU 76 4.033 3.744 -3.908 629 HD22 LEU 76 HD22 LEU 76 5.700 4.178 -4.287 630 HD23 LEU 76 HD23 LEU 76 4.574 3.780 -5.586 631 H ARG 77 H ARG 77 2.927 8.027 -1.122 632 HA ARG 77 HA ARG 77 4.897 8.024 0.921 633 HB2 ARG 77 HB2 ARG 77 3.771 10.064 0.022 634 HB3 ARG 77 HB3 ARG 77 2.298 9.566 0.842 635 HG2 ARG 77 HG2 ARG 77 3.421 9.734 2.990 636 HG3 ARG 77 HG3 ARG 77 4.916 10.205 2.181 637 HD2 ARG 77 HD2 ARG 77 3.617 12.138 1.198 638 HD3 ARG 77 HD3 ARG 77 2.325 11.725 2.326 639 HE ARG 77 HE ARG 77 4.205 11.984 4.071 640 HH11 ARG 77 HH11 ARG 77 3.757 13.946 1.198 641 HH12 ARG 77 HH12 ARG 77 4.662 15.297 1.824 642 HH21 ARG 77 HH21 ARG 77 5.360 13.766 4.908 643 HH22 ARG 77 HH22 ARG 77 5.594 15.179 3.933 644 H TRP 78 H TRP 78 1.540 7.029 0.759 645 HA TRP 78 HA TRP 78 1.175 6.478 3.514 646 HB2 TRP 78 HB2 TRP 78 -0.593 6.738 1.663 647 HB3 TRP 78 HB3 TRP 78 -0.238 5.066 1.252 648 HD1 TRP 78 HD1 TRP 78 -1.265 3.192 2.794 649 HE1 TRP 78 HE1 TRP 78 -2.979 3.241 4.717 650 HE3 TRP 78 HE3 TRP 78 -1.332 8.222 3.703 651 HZ2 TRP 78 HZ2 TRP 78 -4.184 5.151 6.400 652 HZ3 TRP 78 HZ3 TRP 78 -2.795 9.079 5.485 653 HH2 TRP 78 HH2 TRP 78 -4.191 7.576 6.805 654 H LEU 79 H LEU 79 2.241 4.533 0.762 655 HA LEU 79 HA LEU 79 2.457 2.047 2.027 656 HB2 LEU 79 HB2 LEU 79 4.105 3.230 -0.209 657 HB3 LEU 79 HB3 LEU 79 4.161 1.545 0.269 658 HG LEU 79 HG LEU 79 1.701 2.949 -0.769 659 HD11 LEU 79 HD11 LEU 79 3.406 2.761 -2.500 660 HD12 LEU 79 HD12 LEU 79 2.065 1.658 -2.812 661 HD13 LEU 79 HD13 LEU 79 3.579 1.041 -2.154 662 HD21 LEU 79 HD21 LEU 79 2.254 0.032 -0.238 663 HD22 LEU 79 HD22 LEU 79 0.774 0.700 -0.928 664 HD23 LEU 79 HD23 LEU 79 1.221 1.080 0.735 665 H LYS 80 H LYS 80 4.767 4.715 1.772 666 HA LYS 80 HA LYS 80 7.017 3.595 2.892 667 HB2 LYS 80 HB2 LYS 80 6.748 5.854 1.871 668 HB3 LYS 80 HB3 LYS 80 5.930 6.374 3.336 669 HG2 LYS 80 HG2 LYS 80 8.033 5.725 4.573 670 HG3 LYS 80 HG3 LYS 80 8.797 5.598 2.983 671 HD2 LYS 80 HD2 LYS 80 7.482 8.027 4.185 672 HD3 LYS 80 HD3 LYS 80 9.187 7.785 3.852 673 HE2 LYS 80 HE2 LYS 80 7.084 7.756 1.715 674 HE3 LYS 80 HE3 LYS 80 7.945 9.209 2.194 675 HZ1 LYS 80 HZ1 LYS 80 9.062 8.334 0.327 676 HZ2 LYS 80 HZ2 LYS 80 9.063 6.763 0.960 677 HZ3 LYS 80 HZ3 LYS 80 10.040 7.957 1.663 678 H ARG 81 H ARG 81 4.502 5.463 4.562 679 HA ARG 81 HA ARG 81 5.292 5.089 7.187 680 HB2 ARG 81 HB2 ARG 81 2.467 5.215 6.116 681 HB3 ARG 81 HB3 ARG 81 2.928 5.462 7.791 682 HG2 ARG 81 HG2 ARG 81 4.094 7.476 7.242 683 HG3 ARG 81 HG3 ARG 81 3.864 7.192 5.514 684 HD2 ARG 81 HD2 ARG 81 1.469 7.418 5.759 685 HD3 ARG 81 HD3 ARG 81 1.632 7.573 7.505 686 HE ARG 81 HE ARG 81 2.841 9.698 7.045 687 HH11 ARG 81 HH11 ARG 81 0.699 8.374 4.613 688 HH12 ARG 81 HH12 ARG 81 0.295 9.917 3.927 689 HH21 ARG 81 HH21 ARG 81 2.292 11.743 6.170 690 HH22 ARG 81 HH22 ARG 81 1.164 11.843 4.847 691 H MET 82 H MET 82 3.233 3.032 5.179 692 HA MET 82 HA MET 82 2.426 1.260 7.211 693 HB2 MET 82 HB2 MET 82 1.249 1.549 5.063 694 HB3 MET 82 HB3 MET 82 2.595 0.785 4.232 695 HG2 MET 82 HG2 MET 82 2.171 -1.295 5.398 696 HG3 MET 82 HG3 MET 82 0.868 -0.536 6.311 697 HE1 MET 82 HE1 MET 82 -1.761 0.215 3.508 698 HE2 MET 82 HE2 MET 82 -0.492 1.298 4.081 699 HE3 MET 82 HE3 MET 82 -1.399 0.314 5.231 700 H PHE 83 H PHE 83 4.980 0.950 4.736 701 HA PHE 83 HA PHE 83 5.790 -1.625 5.615 702 HB2 PHE 83 HB2 PHE 83 7.117 0.435 3.864 703 HB3 PHE 83 HB3 PHE 83 7.891 -1.096 4.259 704 HD1 PHE 83 HD2 PHE 83 6.368 -3.219 3.833 705 HD2 PHE 83 HD1 PHE 83 5.875 0.556 1.931 706 HE1 PHE 83 HE2 PHE 83 5.166 -4.312 1.985 707 HE2 PHE 83 HE1 PHE 83 4.671 -0.530 0.081 708 HZ PHE 83 HZ PHE 83 4.317 -2.970 0.105 709 H ASN 84 H ASN 84 6.812 1.643 6.443 710 HA ASN 84 HA ASN 84 9.164 0.949 7.833 711 HB2 ASN 84 HB2 ASN 84 8.649 3.256 7.159 712 HB3 ASN 84 HB3 ASN 84 7.316 3.301 8.308 713 HD21 ASN 84 HD21 ASN 84 7.744 3.618 10.473 714 HD22 ASN 84 HD22 ASN 84 9.331 3.993 11.073 715 H TYR 85 H TYR 85 5.804 1.052 8.788 716 HA TYR 85 HA TYR 85 6.207 0.690 11.574 717 HB2 TYR 85 HB2 TYR 85 4.110 1.572 10.675 718 HB3 TYR 85 HB3 TYR 85 3.827 0.078 9.798 719 HD1 TYR 85 HD1 TYR 85 4.682 0.890 13.361 720 HD2 TYR 85 HD2 TYR 85 2.057 -1.075 10.652 721 HE1 TYR 85 HE1 TYR 85 3.378 0.024 15.258 722 HE2 TYR 85 HE2 TYR 85 0.747 -1.945 12.538 723 HH TYR 85 HH TYR 85 0.787 -2.315 14.801 724 H ALA 86 H ALA 86 5.890 -1.517 8.857 725 HA ALA 86 HA ALA 86 5.842 -3.879 10.476 726 HB1 ALA 86 HB1 ALA 86 6.217 -5.078 8.385 727 HB2 ALA 86 HB2 ALA 86 6.582 -3.561 7.564 728 HB3 ALA 86 HB3 ALA 86 4.958 -3.860 8.186 729 H ILE 87 H ILE 87 8.345 -1.937 8.934 730 HA ILE 87 HA ILE 87 10.505 -3.696 9.365 731 HB ILE 87 HB ILE 87 10.501 -0.680 9.159 732 HG12 ILE 87 HG12 ILE 87 11.156 -2.836 7.139 733 HG13 ILE 87 HG13 ILE 87 9.690 -1.860 7.160 734 HG21 ILE 87 HG21 ILE 87 12.906 -0.868 8.712 735 HG22 ILE 87 HG22 ILE 87 12.830 -2.598 9.044 736 HG23 ILE 87 HG23 ILE 87 12.499 -1.437 10.330 737 HD11 ILE 87 HD11 ILE 87 11.285 -1.074 5.498 738 HD12 ILE 87 HD12 ILE 87 12.484 -0.811 6.767 739 HD13 ILE 87 HD13 ILE 87 10.997 0.138 6.745 740 H LYS 88 H LYS 88 9.255 -0.990 11.329 741 HA LYS 88 HA LYS 88 11.194 -1.248 13.355 742 HB2 LYS 88 HB2 LYS 88 9.789 0.180 14.717 743 HB3 LYS 88 HB3 LYS 88 9.887 0.794 13.075 744 HG2 LYS 88 HG2 LYS 88 7.683 -0.004 12.579 745 HG3 LYS 88 HG3 LYS 88 7.588 -0.824 14.141 746 HD2 LYS 88 HD2 LYS 88 6.359 1.294 14.158 747 HD3 LYS 88 HD3 LYS 88 7.711 1.317 15.292 748 HE2 LYS 88 HE2 LYS 88 9.057 2.486 13.557 749 HE3 LYS 88 HE3 LYS 88 7.611 2.569 12.550 750 HZ1 LYS 88 HZ1 LYS 88 6.526 3.818 14.358 751 HZ2 LYS 88 HZ2 LYS 88 7.879 4.624 13.734 752 HZ3 LYS 88 HZ3 LYS 88 7.983 3.819 15.223 753 H ARG 89 H ARG 89 8.210 -2.911 12.755 754 HA ARG 89 HA ARG 89 8.151 -4.113 15.390 755 HB2 ARG 89 HB2 ARG 89 6.074 -3.540 14.069 756 HB3 ARG 89 HB3 ARG 89 6.477 -4.872 12.993 757 HG2 ARG 89 HG2 ARG 89 6.331 -6.436 14.854 758 HG3 ARG 89 HG3 ARG 89 5.969 -5.105 15.946 759 HD2 ARG 89 HD2 ARG 89 3.909 -4.652 14.744 760 HD3 ARG 89 HD3 ARG 89 4.281 -5.943 13.600 761 HE ARG 89 HE ARG 89 4.321 -7.289 15.898 762 HH11 ARG 89 HH11 ARG 89 2.034 -4.918 14.742 763 HH12 ARG 89 HH12 ARG 89 0.677 -5.647 15.535 764 HH21 ARG 89 HH21 ARG 89 2.535 -8.243 16.961 765 HH22 ARG 89 HH22 ARG 89 0.959 -7.520 16.809 766 H HIS 90 H HIS 90 10.131 -4.557 12.905 767 HA HIS 90 HA HIS 90 11.686 -6.144 12.452 768 HB2 HIS 90 HB2 HIS 90 10.437 -7.498 14.842 769 HB3 HIS 90 HB3 HIS 90 11.802 -8.182 13.963 770 HD1 HIS 90 HD1 HIS 90 11.141 -6.251 16.853 771 HD2 HIS 90 HD2 HIS 90 13.984 -6.070 13.820 772 HE1 HIS 90 HE1 HIS 90 13.049 -4.905 17.792 773 HE2 HIS 90 HE2 HIS 90 14.821 -4.929 15.991 774 H ILE 91 H ILE 91 9.111 -6.127 11.130 775 HA ILE 91 HA ILE 91 8.667 -8.941 10.495 776 HB ILE 91 HB ILE 91 7.397 -6.472 9.284 777 HG12 ILE 91 HG12 ILE 91 6.323 -8.433 11.327 778 HG13 ILE 91 HG13 ILE 91 6.827 -6.780 11.660 779 HG21 ILE 91 HG21 ILE 91 6.653 -9.382 8.995 780 HG22 ILE 91 HG22 ILE 91 7.399 -8.375 7.754 781 HG23 ILE 91 HG23 ILE 91 5.766 -8.015 8.319 782 HD11 ILE 91 HD11 ILE 91 4.547 -7.591 9.871 783 HD12 ILE 91 HD12 ILE 91 5.042 -5.938 10.241 784 HD13 ILE 91 HD13 ILE 91 4.407 -6.976 11.518 785 H ILE 92 H ILE 92 9.429 -5.986 8.661 786 HA ILE 92 HA ILE 92 11.038 -7.645 6.842 787 HB ILE 92 HB ILE 92 10.637 -5.861 5.121 788 HG12 ILE 92 HG12 ILE 92 8.472 -4.998 7.055 789 HG13 ILE 92 HG13 ILE 92 9.931 -4.082 6.682 790 HG21 ILE 92 HG21 ILE 92 9.472 -7.978 5.038 791 HG22 ILE 92 HG22 ILE 92 8.396 -6.673 4.534 792 HG23 ILE 92 HG23 ILE 92 8.240 -7.372 6.146 793 HD11 ILE 92 HD11 ILE 92 9.198 -3.884 4.357 794 HD12 ILE 92 HD12 ILE 92 8.027 -3.199 5.483 795 HD13 ILE 92 HD13 ILE 92 7.728 -4.777 4.754 796 H GLU 93 H GLU 93 12.705 -6.203 5.645 797 HA GLU 93 HA GLU 93 13.984 -4.463 7.647 798 HB2 GLU 93 HB2 GLU 93 15.043 -6.692 7.461 799 HB3 GLU 93 HB3 GLU 93 15.340 -6.393 5.756 800 HG2 GLU 93 HG2 GLU 93 16.874 -4.642 6.260 801 HG3 GLU 93 HG3 GLU 93 16.451 -4.693 7.973 802 H TYR 94 H TYR 94 12.717 -4.655 4.550 803 HA TYR 94 HA TYR 94 14.190 -2.258 3.723 804 HB2 TYR 94 HB2 TYR 94 13.644 -4.707 2.043 805 HB3 TYR 94 HB3 TYR 94 14.062 -3.148 1.342 806 HD1 TYR 94 HD2 TYR 94 16.282 -2.121 1.917 807 HD2 TYR 94 HD1 TYR 94 15.315 -6.146 2.888 808 HE1 TYR 94 HE2 TYR 94 18.671 -2.622 2.183 809 HE2 TYR 94 HE1 TYR 94 17.704 -6.658 3.163 810 HH TYR 94 HH TYR 94 19.876 -5.786 2.403 811 H ASN 95 H ASN 95 13.084 -1.066 1.966 812 HA ASN 95 HA ASN 95 10.152 -1.197 2.290 813 HB2 ASN 95 HB2 ASN 95 11.808 1.171 1.381 814 HB3 ASN 95 HB3 ASN 95 10.087 1.166 1.737 815 HD21 ASN 95 HD21 ASN 95 9.402 1.269 3.843 816 HD22 ASN 95 HD22 ASN 95 10.473 1.615 5.159 817 HA PRO 96 HA PRO 96 10.941 -2.750 -2.007 818 HB2 PRO 96 HB2 PRO 96 8.051 -3.384 -1.674 819 HB3 PRO 96 HB3 PRO 96 9.363 -4.402 -2.286 820 HG2 PRO 96 HG2 PRO 96 8.370 -4.791 0.154 821 HG3 PRO 96 HG3 PRO 96 10.110 -4.946 -0.154 822 HD2 PRO 96 HD2 PRO 96 8.603 -2.720 1.155 823 HD3 PRO 96 HD3 PRO 96 10.199 -3.391 1.552 824 H ALA 97 H ALA 97 8.329 -0.714 -0.793 825 HA ALA 97 HA ALA 97 7.542 0.167 -3.421 826 HB1 ALA 97 HB1 ALA 97 5.895 -0.025 -1.635 827 HB2 ALA 97 HB2 ALA 97 5.983 1.625 -2.252 828 HB3 ALA 97 HB3 ALA 97 6.744 1.218 -0.713 829 H ALA 98 H ALA 98 10.001 1.055 -1.263 830 HA ALA 98 HA ALA 98 10.006 3.880 -1.820 831 HB1 ALA 98 HB1 ALA 98 12.103 3.919 -0.569 832 HB2 ALA 98 HB2 ALA 98 12.127 2.155 -0.547 833 HB3 ALA 98 HB3 ALA 98 10.855 3.029 0.305 834 H ALA 99 H ALA 99 10.964 1.157 -3.523 835 HA ALA 99 HA ALA 99 13.312 2.153 -4.795 836 HB1 ALA 99 HB1 ALA 99 11.433 -0.031 -5.694 837 HB2 ALA 99 HB2 ALA 99 12.825 -0.243 -4.631 838 HB3 ALA 99 HB3 ALA 99 13.062 0.260 -6.305 839 H PHE 100 H PHE 100 10.089 2.991 -5.071 840 HA PHE 100 HA PHE 100 10.519 4.081 -7.774 841 HB2 PHE 100 HB2 PHE 100 7.912 3.341 -6.420 842 HB3 PHE 100 HB3 PHE 100 8.049 4.101 -8.003 843 HD1 PHE 100 HD2 PHE 100 8.846 2.844 -9.918 844 HD2 PHE 100 HD1 PHE 100 8.458 1.019 -6.099 845 HE1 PHE 100 HE2 PHE 100 9.043 0.626 -10.965 846 HE2 PHE 100 HE1 PHE 100 8.657 -1.202 -7.133 847 HZ PHE 100 HZ PHE 100 8.951 -1.401 -9.569 848 H ASP 101 H ASP 101 10.563 6.225 -7.943 849 HA ASP 101 HA ASP 101 9.931 7.790 -5.548 850 HB2 ASP 101 HB2 ASP 101 12.192 8.095 -6.344 851 HB3 ASP 101 HB3 ASP 101 11.619 8.446 -7.973 852 HA PRO 102 HA PRO 102 6.310 9.308 -7.688 853 HB2 PRO 102 HB2 PRO 102 5.544 11.049 -5.749 854 HB3 PRO 102 HB3 PRO 102 5.262 9.309 -5.647 855 HG2 PRO 102 HG2 PRO 102 7.403 10.957 -4.362 856 HG3 PRO 102 HG3 PRO 102 6.454 9.622 -3.683 857 HD2 PRO 102 HD2 PRO 102 8.995 9.314 -4.592 858 HD3 PRO 102 HD3 PRO 102 7.783 8.019 -4.649 859 H GLY 103 H GLY 103 8.832 11.321 -6.278 860 HA2 GLY 103 HA2 GLY 103 9.937 13.104 -7.252 861 HA3 GLY 103 HA3 GLY 103 8.821 13.017 -8.608 862 H ASP 104 H ASP 104 6.433 13.545 -7.740 863 HA ASP 104 HA ASP 104 6.683 16.148 -6.387 864 HB2 ASP 104 HB2 ASP 104 6.184 16.321 -8.816 865 HB3 ASP 104 HB3 ASP 104 4.727 15.363 -8.565 866 H ALA 105 H ALA 105 4.790 16.831 -5.182 867 HA ALA 105 HA ALA 105 3.434 14.504 -3.991 868 HB1 ALA 105 HB1 ALA 105 5.008 15.659 -2.499 869 HB2 ALA 105 HB2 ALA 105 3.348 15.745 -1.911 870 HB3 ALA 105 HB3 ALA 105 4.081 17.147 -2.690 871 H GLY 106 H GLY 106 2.761 16.805 -6.137 872 HA2 GLY 106 HA2 GLY 106 0.505 17.139 -6.880 873 HA3 GLY 106 HA3 GLY 106 -0.026 17.041 -5.205 874 H GLY 107 H GLY 107 0.163 18.847 -3.865 875 HA2 GLY 107 HA2 GLY 107 0.554 21.056 -3.293 876 HA3 GLY 107 HA3 GLY 107 1.470 21.244 -4.780 877 H LYS 108 H LYS 108 -1.606 19.897 -5.179 878 HA LYS 108 HA LYS 108 -2.957 22.420 -5.625 879 HB2 LYS 108 HB2 LYS 108 -3.466 21.915 -7.980 880 HB3 LYS 108 HB3 LYS 108 -1.739 22.119 -7.719 881 HG2 LYS 108 HG2 LYS 108 -1.608 19.599 -7.564 882 HG3 LYS 108 HG3 LYS 108 -3.260 19.577 -8.182 883 HD2 LYS 108 HD2 LYS 108 -2.540 20.788 -10.171 884 HD3 LYS 108 HD3 LYS 108 -0.889 20.848 -9.545 885 HE2 LYS 108 HE2 LYS 108 -1.037 18.309 -9.428 886 HE3 LYS 108 HE3 LYS 108 -2.467 18.460 -10.443 887 HZ1 LYS 108 HZ1 LYS 108 -0.453 18.059 -11.753 888 HZ2 LYS 108 HZ2 LYS 108 0.238 19.481 -11.143 889 HZ3 LYS 108 HZ3 LYS 108 -1.141 19.561 -12.126 890 H LEU 109 H LEU 109 -5.088 21.472 -7.119 891 HA LEU 109 HA LEU 109 -6.184 19.101 -5.986 892 HB2 LEU 109 HB2 LEU 109 -7.877 20.024 -4.566 893 HB3 LEU 109 HB3 LEU 109 -6.320 20.604 -4.012 894 HG LEU 109 HG LEU 109 -8.092 22.285 -5.776 895 HD11 LEU 109 HD11 LEU 109 -8.923 23.360 -3.745 896 HD12 LEU 109 HD12 LEU 109 -8.065 22.172 -2.763 897 HD13 LEU 109 HD13 LEU 109 -9.390 21.662 -3.810 898 HD21 LEU 109 HD21 LEU 109 -5.889 22.955 -3.825 899 HD22 LEU 109 HD22 LEU 109 -6.833 24.122 -4.750 900 HD23 LEU 109 HD23 LEU 109 -5.768 22.990 -5.584 901 H GLU 110 H GLU 110 -8.777 19.283 -6.318 902 HA GLU 110 HA GLU 110 -9.271 20.687 -8.848 903 HB2 GLU 110 HB2 GLU 110 -10.246 18.690 -9.857 904 HB3 GLU 110 HB3 GLU 110 -8.562 18.403 -9.436 905 HG2 GLU 110 HG2 GLU 110 -9.138 17.052 -7.606 906 HG3 GLU 110 HG3 GLU 110 -10.818 17.589 -7.633 907 H HIS 111 H HIS 111 -11.182 21.693 -8.826 908 HA HIS 111 HA HIS 111 -13.403 20.404 -7.399 909 HB2 HIS 111 HB2 HIS 111 -12.499 23.238 -7.195 910 HB3 HIS 111 HB3 HIS 111 -14.232 22.939 -7.214 911 HD1 HIS 111 HD1 HIS 111 -13.513 24.106 -4.689 912 HD2 HIS 111 HD2 HIS 111 -12.917 20.041 -5.340 913 HE1 HIS 111 HE1 HIS 111 -13.375 23.064 -2.405 914 HE2 HIS 111 HE2 HIS 111 -12.842 20.634 -2.826 915 H HIS 112 H HIS 112 -12.911 23.197 -9.559 916 HA HIS 112 HA HIS 112 -13.962 23.858 -11.477 917 HB2 HIS 112 HB2 HIS 112 -14.054 20.872 -11.989 918 HB3 HIS 112 HB3 HIS 112 -14.315 22.118 -13.200 919 HD1 HIS 112 HD1 HIS 112 -11.996 19.875 -13.094 920 HD2 HIS 112 HD2 HIS 112 -11.630 23.937 -12.267 921 HE1 HIS 112 HE1 HIS 112 -9.572 20.432 -13.467 922 HE2 HIS 112 HE2 HIS 112 -9.338 22.829 -12.719 923 H HIS 113 H HIS 113 -15.648 23.620 -9.219 924 HA HIS 113 HA HIS 113 -18.095 22.410 -10.329 925 HB2 HIS 113 HB2 HIS 113 -17.018 21.454 -8.184 926 HB3 HIS 113 HB3 HIS 113 -17.623 22.906 -7.396 927 HD1 HIS 113 HD1 HIS 113 -18.732 19.678 -8.915 928 HD2 HIS 113 HD2 HIS 113 -20.402 22.971 -6.994 929 HE1 HIS 113 HE1 HIS 113 -21.107 19.034 -8.395 930 HE2 HIS 113 HE2 HIS 113 -22.060 20.994 -7.120 931 H HIS 114 H HIS 114 -17.241 25.077 -10.933 932 HA HIS 114 HA HIS 114 -19.501 26.509 -9.697 933 HB2 HIS 114 HB2 HIS 114 -16.830 27.640 -10.558 934 HB3 HIS 114 HB3 HIS 114 -18.229 28.635 -10.170 935 HD1 HIS 114 HD1 HIS 114 -15.366 28.375 -8.637 936 HD2 HIS 114 HD2 HIS 114 -19.072 26.952 -7.405 937 HE1 HIS 114 HE1 HIS 114 -15.232 28.204 -6.130 938 HE2 HIS 114 HE2 HIS 114 -17.558 27.560 -5.404 939 H HIS 115 H HIS 115 -20.951 25.927 -11.264 940 HA HIS 115 HA HIS 115 -20.408 27.000 -13.961 941 HB2 HIS 115 HB2 HIS 115 -22.077 24.610 -13.162 942 HB3 HIS 115 HB3 HIS 115 -22.083 25.313 -14.774 943 HD1 HIS 115 HD1 HIS 115 -20.372 22.846 -12.729 944 HD2 HIS 115 HD2 HIS 115 -19.444 25.168 -16.060 945 HE1 HIS 115 HE1 HIS 115 -18.348 21.769 -13.771 946 HE2 HIS 115 HE2 HIS 115 -17.708 23.285 -15.687 947 H HIS 116 H HIS 116 -21.716 28.530 -14.679 948 HA HIS 116 HA HIS 116 -24.368 28.850 -13.449 949 HB2 HIS 116 HB2 HIS 116 -24.047 31.289 -13.269 950 HB3 HIS 116 HB3 HIS 116 -22.908 30.409 -12.258 951 HD1 HIS 116 HD1 HIS 116 -23.094 32.921 -14.925 952 HD2 HIS 116 HD2 HIS 116 -20.215 30.374 -13.326 953 HE1 HIS 116 HE1 HIS 116 -20.882 33.769 -15.777 954 HE2 HIS 116 HE2 HIS 116 -19.149 32.233 -14.778 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -0.547 -11.921 18.249 2 H2 MET 1 H2 MET 1 -2.054 -11.538 18.924 3 H3 MET 1 H3 MET 1 -1.699 -11.083 17.331 4 HA MET 1 HA MET 1 -1.915 -13.876 18.299 5 HB2 MET 1 HB2 MET 1 -4.087 -12.658 18.249 6 HB3 MET 1 HB3 MET 1 -3.812 -12.286 16.554 7 HG2 MET 1 HG2 MET 1 -3.832 -14.668 16.023 8 HG3 MET 1 HG3 MET 1 -4.102 -15.044 17.724 9 HE1 MET 1 HE1 MET 1 -7.557 -15.933 16.134 10 HE2 MET 1 HE2 MET 1 -6.233 -16.498 17.154 11 HE3 MET 1 HE3 MET 1 -5.956 -16.190 15.440 12 H ALA 2 H ALA 2 -1.781 -11.694 15.501 13 HA ALA 2 HA ALA 2 -0.381 -13.813 14.008 14 HB1 ALA 2 HB1 ALA 2 -2.619 -13.349 13.092 15 HB2 ALA 2 HB2 ALA 2 -1.338 -12.909 11.962 16 HB3 ALA 2 HB3 ALA 2 -2.169 -11.655 12.880 17 H GLU 3 H GLU 3 1.680 -13.339 13.697 18 HA GLU 3 HA GLU 3 2.640 -10.930 12.620 19 HB2 GLU 3 HB2 GLU 3 2.098 -10.043 14.862 20 HB3 GLU 3 HB3 GLU 3 3.155 -11.244 15.585 21 HG2 GLU 3 HG2 GLU 3 5.079 -10.249 14.505 22 HG3 GLU 3 HG3 GLU 3 4.040 -9.087 13.682 23 H LYS 4 H LYS 4 3.324 -13.761 14.593 24 HA LYS 4 HA LYS 4 6.076 -13.816 13.616 25 HB2 LYS 4 HB2 LYS 4 6.401 -15.605 15.301 26 HB3 LYS 4 HB3 LYS 4 5.832 -14.094 15.993 27 HG2 LYS 4 HG2 LYS 4 3.540 -15.029 16.034 28 HG3 LYS 4 HG3 LYS 4 4.199 -16.565 15.468 29 HD2 LYS 4 HD2 LYS 4 5.575 -16.743 17.452 30 HD3 LYS 4 HD3 LYS 4 5.025 -15.158 18.003 31 HE2 LYS 4 HE2 LYS 4 2.716 -16.031 18.094 32 HE3 LYS 4 HE3 LYS 4 3.325 -17.621 17.635 33 HZ1 LYS 4 HZ1 LYS 4 4.165 -16.132 20.057 34 HZ2 LYS 4 HZ2 LYS 4 4.612 -17.714 19.637 35 HZ3 LYS 4 HZ3 LYS 4 3.001 -17.364 20.042 36 H ASN 5 H ASN 5 3.067 -15.618 13.367 37 HA ASN 5 HA ASN 5 4.449 -17.634 11.742 38 HB2 ASN 5 HB2 ASN 5 3.100 -18.563 13.539 39 HB3 ASN 5 HB3 ASN 5 1.686 -17.680 12.972 40 HD21 ASN 5 HD21 ASN 5 0.484 -19.542 12.675 41 HD22 ASN 5 HD22 ASN 5 0.789 -20.641 11.369 42 H ALA 6 H ALA 6 1.132 -16.347 11.594 43 HA ALA 6 HA ALA 6 1.527 -16.022 8.696 44 HB1 ALA 6 HB1 ALA 6 -0.828 -16.526 8.406 45 HB2 ALA 6 HB2 ALA 6 -1.037 -16.675 10.150 46 HB3 ALA 6 HB3 ALA 6 -0.029 -17.832 9.280 47 H TYR 7 H TYR 7 1.639 -13.962 8.134 48 HA TYR 7 HA TYR 7 -0.375 -12.091 8.975 49 HB2 TYR 7 HB2 TYR 7 1.446 -12.117 10.799 50 HB3 TYR 7 HB3 TYR 7 2.481 -11.352 9.601 51 HD1 TYR 7 HD2 TYR 7 -1.053 -10.882 10.746 52 HD2 TYR 7 HD1 TYR 7 2.724 -9.090 9.953 53 HE1 TYR 7 HE2 TYR 7 -1.964 -8.694 11.395 54 HE2 TYR 7 HE1 TYR 7 1.821 -6.897 10.601 55 HH TYR 7 HH TYR 7 -1.185 -6.539 12.184 56 H THR 8 H THR 8 -0.895 -11.611 6.912 57 HA THR 8 HA THR 8 1.216 -11.120 4.960 58 HB THR 8 HB THR 8 -0.727 -10.987 3.349 59 HG1 THR 8 HG1 THR 8 -2.742 -11.756 4.146 60 HG21 THR 8 HG21 THR 8 0.550 -13.047 3.597 61 HG22 THR 8 HG22 THR 8 -1.160 -13.415 3.369 62 HG23 THR 8 HG23 THR 8 -0.442 -13.518 4.977 63 H VAL 9 H VAL 9 0.713 -9.272 3.368 64 HA VAL 9 HA VAL 9 0.743 -6.824 4.751 65 HB VAL 9 HB VAL 9 0.543 -5.761 2.503 66 HG11 VAL 9 HG11 VAL 9 2.723 -6.372 3.379 67 HG12 VAL 9 HG12 VAL 9 2.675 -6.649 1.637 68 HG13 VAL 9 HG13 VAL 9 2.542 -8.009 2.751 69 HG21 VAL 9 HG21 VAL 9 0.360 -8.615 1.535 70 HG22 VAL 9 HG22 VAL 9 0.563 -7.193 0.513 71 HG23 VAL 9 HG23 VAL 9 -0.921 -7.404 1.444 72 H ALA 10 H ALA 10 -1.863 -8.707 3.451 73 HA ALA 10 HA ALA 10 -3.852 -6.686 3.428 74 HB1 ALA 10 HB1 ALA 10 -4.147 -8.807 2.251 75 HB2 ALA 10 HB2 ALA 10 -5.454 -8.537 3.404 76 HB3 ALA 10 HB3 ALA 10 -4.157 -9.668 3.791 77 H GLN 11 H GLN 11 -2.844 -9.075 5.847 78 HA GLN 11 HA GLN 11 -4.708 -8.261 7.832 79 HB2 GLN 11 HB2 GLN 11 -2.119 -9.808 8.004 80 HB3 GLN 11 HB3 GLN 11 -3.168 -9.529 9.386 81 HG2 GLN 11 HG2 GLN 11 -4.038 -10.916 6.864 82 HG3 GLN 11 HG3 GLN 11 -3.445 -11.748 8.301 83 HE21 GLN 11 HE21 GLN 11 -6.051 -9.891 6.937 84 HE22 GLN 11 HE22 GLN 11 -7.214 -10.235 8.173 85 H LEU 12 H LEU 12 -1.415 -7.365 7.037 86 HA LEU 12 HA LEU 12 -0.795 -5.742 9.217 87 HB2 LEU 12 HB2 LEU 12 0.727 -6.464 7.340 88 HB3 LEU 12 HB3 LEU 12 -0.030 -5.253 6.332 89 HG LEU 12 HG LEU 12 2.220 -4.642 7.301 90 HD11 LEU 12 HD11 LEU 12 0.730 -2.938 6.425 91 HD12 LEU 12 HD12 LEU 12 1.611 -2.347 7.834 92 HD13 LEU 12 HD13 LEU 12 -0.081 -2.827 7.988 93 HD21 LEU 12 HD21 LEU 12 0.633 -4.429 9.851 94 HD22 LEU 12 HD22 LEU 12 2.293 -3.877 9.613 95 HD23 LEU 12 HD23 LEU 12 1.912 -5.596 9.515 96 H ALA 13 H ALA 13 -2.535 -5.001 6.229 97 HA ALA 13 HA ALA 13 -2.818 -2.232 6.649 98 HB1 ALA 13 HB1 ALA 13 -4.505 -2.322 4.907 99 HB2 ALA 13 HB2 ALA 13 -4.597 -4.076 5.065 100 HB3 ALA 13 HB3 ALA 13 -3.118 -3.322 4.476 101 H ASP 14 H ASP 14 -4.557 -4.951 7.925 102 HA ASP 14 HA ASP 14 -6.932 -3.508 8.598 103 HB2 ASP 14 HB2 ASP 14 -6.848 -5.991 8.268 104 HB3 ASP 14 HB3 ASP 14 -5.946 -6.116 9.776 105 H GLU 15 H GLU 15 -4.000 -4.441 10.375 106 HA GLU 15 HA GLU 15 -4.880 -3.104 12.768 107 HB2 GLU 15 HB2 GLU 15 -3.218 -4.991 12.762 108 HB3 GLU 15 HB3 GLU 15 -2.057 -3.899 12.019 109 HG2 GLU 15 HG2 GLU 15 -2.142 -2.447 13.956 110 HG3 GLU 15 HG3 GLU 15 -3.361 -3.481 14.698 111 H TYR 16 H TYR 16 -3.104 -2.326 9.899 112 HA TYR 16 HA TYR 16 -1.866 0.054 10.646 113 HB2 TYR 16 HB2 TYR 16 -1.213 -0.887 8.590 114 HB3 TYR 16 HB3 TYR 16 -2.870 -0.987 8.007 115 HD1 TYR 16 HD2 TYR 16 -0.285 1.534 8.985 116 HD2 TYR 16 HD1 TYR 16 -3.661 0.625 6.562 117 HE1 TYR 16 HE2 TYR 16 -0.012 3.679 7.808 118 HE2 TYR 16 HE1 TYR 16 -3.398 2.760 5.377 119 HH TYR 16 HH TYR 16 -2.410 4.862 5.568 120 H PHE 17 H PHE 17 -5.168 -0.455 9.354 121 HA PHE 17 HA PHE 17 -5.662 2.344 9.155 122 HB2 PHE 17 HB2 PHE 17 -7.677 1.803 8.245 123 HB3 PHE 17 HB3 PHE 17 -6.930 0.226 8.088 124 HD1 PHE 17 HD1 PHE 17 -9.410 2.224 9.876 125 HD2 PHE 17 HD2 PHE 17 -7.657 -1.630 9.463 126 HE1 PHE 17 HE1 PHE 17 -11.276 1.247 11.144 127 HE2 PHE 17 HE2 PHE 17 -9.520 -2.614 10.733 128 HZ PHE 17 HZ PHE 17 -11.334 -1.178 11.574 129 H GLU 18 H GLU 18 -6.020 -0.018 11.684 130 HA GLU 18 HA GLU 18 -7.634 1.585 13.403 131 HB2 GLU 18 HB2 GLU 18 -7.418 -0.907 13.539 132 HB3 GLU 18 HB3 GLU 18 -5.781 -0.690 14.141 133 HG2 GLU 18 HG2 GLU 18 -6.660 0.512 16.082 134 HG3 GLU 18 HG3 GLU 18 -8.298 0.275 15.477 135 H ARG 19 H ARG 19 -4.299 1.484 12.620 136 HA ARG 19 HA ARG 19 -3.464 2.968 14.975 137 HB2 ARG 19 HB2 ARG 19 -2.120 1.557 12.762 138 HB3 ARG 19 HB3 ARG 19 -1.307 3.011 13.315 139 HG2 ARG 19 HG2 ARG 19 -0.409 1.107 14.457 140 HG3 ARG 19 HG3 ARG 19 -1.303 2.104 15.604 141 HD2 ARG 19 HD2 ARG 19 -3.153 0.585 15.579 142 HD3 ARG 19 HD3 ARG 19 -2.441 -0.338 14.253 143 HE ARG 19 HE ARG 19 -0.534 -0.623 16.031 144 HH11 ARG 19 HH11 ARG 19 -4.003 -0.818 16.523 145 HH12 ARG 19 HH12 ARG 19 -3.877 -1.889 17.882 146 HH21 ARG 19 HH21 ARG 19 -0.374 -2.033 17.804 147 HH22 ARG 19 HH22 ARG 19 -1.808 -2.585 18.610 148 H MET 20 H MET 20 -3.316 3.491 11.435 149 HA MET 20 HA MET 20 -2.529 6.247 11.904 150 HB2 MET 20 HB2 MET 20 -1.469 4.711 10.180 151 HB3 MET 20 HB3 MET 20 -2.944 4.893 9.241 152 HG2 MET 20 HG2 MET 20 -1.309 6.411 8.396 153 HG3 MET 20 HG3 MET 20 -2.565 7.341 9.212 154 HE1 MET 20 HE1 MET 20 0.681 9.433 9.909 155 HE2 MET 20 HE2 MET 20 -0.961 9.473 9.267 156 HE3 MET 20 HE3 MET 20 0.288 8.539 8.441 157 H ILE 21 H ILE 21 -5.364 4.500 10.919 158 HA ILE 21 HA ILE 21 -6.666 6.981 10.016 159 HB ILE 21 HB ILE 21 -7.790 4.191 9.768 160 HG12 ILE 21 HG12 ILE 21 -5.584 4.249 8.667 161 HG13 ILE 21 HG13 ILE 21 -6.887 4.105 7.493 162 HG21 ILE 21 HG21 ILE 21 -9.363 6.037 9.463 163 HG22 ILE 21 HG22 ILE 21 -9.090 5.177 7.947 164 HG23 ILE 21 HG23 ILE 21 -8.312 6.733 8.230 165 HD11 ILE 21 HD11 ILE 21 -5.166 5.639 6.729 166 HD12 ILE 21 HD12 ILE 21 -5.392 6.630 8.171 167 HD13 ILE 21 HD13 ILE 21 -6.693 6.485 6.989 168 H ALA 22 H ALA 22 -6.070 6.412 12.764 169 HA ALA 22 HA ALA 22 -8.761 6.115 13.899 170 HB1 ALA 22 HB1 ALA 22 -7.096 4.578 14.806 171 HB2 ALA 22 HB2 ALA 22 -7.636 5.718 16.038 172 HB3 ALA 22 HB3 ALA 22 -6.072 5.941 15.256 173 H GLY 23 H GLY 23 -8.787 7.489 16.116 174 HA2 GLY 23 HA2 GLY 23 -8.543 9.564 17.161 175 HA3 GLY 23 HA3 GLY 23 -7.527 10.086 15.826 176 H ARG 24 H ARG 24 -8.553 10.767 13.856 177 HA ARG 24 HA ARG 24 -11.416 11.299 14.016 178 HB2 ARG 24 HB2 ARG 24 -10.030 13.255 14.959 179 HB3 ARG 24 HB3 ARG 24 -9.500 13.519 13.306 180 HG2 ARG 24 HG2 ARG 24 -12.405 13.439 14.041 181 HG3 ARG 24 HG3 ARG 24 -11.447 14.911 14.186 182 HD2 ARG 24 HD2 ARG 24 -10.892 14.748 11.792 183 HD3 ARG 24 HD3 ARG 24 -11.909 13.313 11.669 184 HE ARG 24 HE ARG 24 -13.747 14.890 12.488 185 HH11 ARG 24 HH11 ARG 24 -11.048 15.908 10.518 186 HH12 ARG 24 HH12 ARG 24 -11.905 17.221 9.779 187 HH21 ARG 24 HH21 ARG 24 -14.895 16.598 11.530 188 HH22 ARG 24 HH22 ARG 24 -14.117 17.619 10.358 189 H TRP 25 H TRP 25 -11.972 10.138 12.280 190 HA TRP 25 HA TRP 25 -10.783 10.865 9.706 191 HB2 TRP 25 HB2 TRP 25 -10.563 8.547 9.029 192 HB3 TRP 25 HB3 TRP 25 -9.670 8.780 10.516 193 HD1 TRP 25 HD1 TRP 25 -12.155 6.582 8.964 194 HE1 TRP 25 HE1 TRP 25 -13.181 4.980 10.690 195 HE3 TRP 25 HE3 TRP 25 -10.495 8.809 13.253 196 HZ2 TRP 25 HZ2 TRP 25 -13.279 4.686 13.484 197 HZ3 TRP 25 HZ3 TRP 25 -11.105 7.804 15.412 198 HH2 TRP 25 HH2 TRP 25 -12.470 5.787 15.524 199 H LYS 26 H LYS 26 -13.337 9.104 11.383 200 HA LYS 26 HA LYS 26 -15.550 8.878 11.070 201 HB2 LYS 26 HB2 LYS 26 -15.224 11.160 9.124 202 HB3 LYS 26 HB3 LYS 26 -16.768 10.507 9.658 203 HG2 LYS 26 HG2 LYS 26 -16.112 11.080 11.998 204 HG3 LYS 26 HG3 LYS 26 -14.697 11.902 11.339 205 HD2 LYS 26 HD2 LYS 26 -16.464 13.502 11.754 206 HD3 LYS 26 HD3 LYS 26 -16.191 13.348 10.017 207 HE2 LYS 26 HE2 LYS 26 -18.108 11.847 9.842 208 HE3 LYS 26 HE3 LYS 26 -18.372 11.973 11.582 209 HZ1 LYS 26 HZ1 LYS 26 -19.853 13.433 10.382 210 HZ2 LYS 26 HZ2 LYS 26 -18.542 14.199 9.626 211 HZ3 LYS 26 HZ3 LYS 26 -18.758 14.350 11.303 212 H HIS 27 H HIS 27 -16.512 7.274 10.133 213 HA HIS 27 HA HIS 27 -17.082 5.637 8.682 214 HB2 HIS 27 HB2 HIS 27 -16.372 7.642 6.525 215 HB3 HIS 27 HB3 HIS 27 -17.277 6.152 6.285 216 HD1 HIS 27 HD1 HIS 27 -18.089 9.367 6.004 217 HD2 HIS 27 HD2 HIS 27 -19.475 6.516 8.699 218 HE1 HIS 27 HE1 HIS 27 -20.333 10.193 6.778 219 HE2 HIS 27 HE2 HIS 27 -21.046 8.564 8.557 220 HA PRO 28 HA PRO 28 -12.632 4.464 8.274 221 HB2 PRO 28 HB2 PRO 28 -12.960 2.009 9.421 222 HB3 PRO 28 HB3 PRO 28 -12.658 3.480 10.353 223 HG2 PRO 28 HG2 PRO 28 -15.240 2.066 9.821 224 HG3 PRO 28 HG3 PRO 28 -14.650 2.792 11.327 225 HD2 PRO 28 HD2 PRO 28 -16.447 4.024 9.727 226 HD3 PRO 28 HD3 PRO 28 -15.250 4.923 10.683 227 H ASN 29 H ASN 29 -15.649 3.075 7.300 228 HA ASN 29 HA ASN 29 -14.598 0.816 5.914 229 HB2 ASN 29 HB2 ASN 29 -16.862 0.540 5.022 230 HB3 ASN 29 HB3 ASN 29 -16.899 0.827 6.757 231 HD21 ASN 29 HD21 ASN 29 -18.975 1.190 4.752 232 HD22 ASN 29 HD22 ASN 29 -19.462 2.854 4.855 233 H ILE 30 H ILE 30 -15.476 4.094 4.978 234 HA ILE 30 HA ILE 30 -15.284 3.673 2.178 235 HB ILE 30 HB ILE 30 -14.994 6.252 3.735 236 HG12 ILE 30 HG12 ILE 30 -17.400 5.018 2.370 237 HG13 ILE 30 HG13 ILE 30 -17.148 5.114 4.110 238 HG21 ILE 30 HG21 ILE 30 -14.064 6.434 1.486 239 HG22 ILE 30 HG22 ILE 30 -15.560 7.358 1.622 240 HG23 ILE 30 HG23 ILE 30 -15.562 5.795 0.808 241 HD11 ILE 30 HD11 ILE 30 -17.227 7.547 3.988 242 HD12 ILE 30 HD12 ILE 30 -18.697 6.817 3.343 243 HD13 ILE 30 HD13 ILE 30 -17.473 7.451 2.243 244 H VAL 31 H VAL 31 -12.997 4.891 4.604 245 HA VAL 31 HA VAL 31 -10.907 5.316 2.708 246 HB VAL 31 HB VAL 31 -9.415 5.531 4.679 247 HG11 VAL 31 HG11 VAL 31 -12.007 7.062 4.871 248 HG12 VAL 31 HG12 VAL 31 -10.628 7.472 3.852 249 HG13 VAL 31 HG13 VAL 31 -10.476 7.536 5.608 250 HG21 VAL 31 HG21 VAL 31 -10.366 5.474 6.928 251 HG22 VAL 31 HG22 VAL 31 -10.478 3.899 6.144 252 HG23 VAL 31 HG23 VAL 31 -11.906 4.927 6.266 253 H ARG 32 H ARG 32 -11.989 2.623 4.631 254 HA ARG 32 HA ARG 32 -9.758 0.944 4.480 255 HB2 ARG 32 HB2 ARG 32 -11.581 0.367 5.917 256 HB3 ARG 32 HB3 ARG 32 -12.715 0.346 4.579 257 HG2 ARG 32 HG2 ARG 32 -12.208 -1.903 5.311 258 HG3 ARG 32 HG3 ARG 32 -11.613 -1.638 3.674 259 HD2 ARG 32 HD2 ARG 32 -9.373 -1.483 4.410 260 HD3 ARG 32 HD3 ARG 32 -9.860 -1.351 6.093 261 HE ARG 32 HE ARG 32 -10.233 -3.813 4.501 262 HH11 ARG 32 HH11 ARG 32 -9.337 -2.177 7.470 263 HH12 ARG 32 HH12 ARG 32 -9.026 -3.647 8.346 264 HH21 ARG 32 HH21 ARG 32 -9.774 -5.766 5.663 265 HH22 ARG 32 HH22 ARG 32 -9.260 -5.658 7.325 266 H SER 33 H SER 33 -12.399 1.488 2.189 267 HA SER 33 HA SER 33 -11.954 -0.581 0.415 268 HB2 SER 33 HB2 SER 33 -12.777 2.244 -0.312 269 HB3 SER 33 HB3 SER 33 -13.117 0.779 -1.234 270 HG SER 33 HG SER 33 -14.075 0.194 1.049 271 H ARG 34 H ARG 34 -10.329 2.557 0.599 272 HA ARG 34 HA ARG 34 -8.737 2.095 -1.733 273 HB2 ARG 34 HB2 ARG 34 -8.507 4.088 0.520 274 HB3 ARG 34 HB3 ARG 34 -7.382 4.033 -0.827 275 HG2 ARG 34 HG2 ARG 34 -9.182 4.503 -2.384 276 HG3 ARG 34 HG3 ARG 34 -10.348 4.494 -1.059 277 HD2 ARG 34 HD2 ARG 34 -9.271 6.404 -0.047 278 HD3 ARG 34 HD3 ARG 34 -7.996 6.369 -1.264 279 HE ARG 34 HE ARG 34 -9.591 7.118 -2.889 280 HH11 ARG 34 HH11 ARG 34 -10.781 7.109 0.398 281 HH12 ARG 34 HH12 ARG 34 -11.996 8.316 0.108 282 HH21 ARG 34 HH21 ARG 34 -11.162 8.694 -3.293 283 HH22 ARG 34 HH22 ARG 34 -12.210 9.230 -2.011 284 H ILE 35 H ILE 35 -8.241 1.792 1.748 285 HA ILE 35 HA ILE 35 -5.477 1.339 1.701 286 HB ILE 35 HB ILE 35 -7.515 0.435 3.739 287 HG12 ILE 35 HG12 ILE 35 -5.686 2.847 3.674 288 HG13 ILE 35 HG13 ILE 35 -7.417 2.878 3.355 289 HG21 ILE 35 HG21 ILE 35 -5.446 -0.851 3.931 290 HG22 ILE 35 HG22 ILE 35 -5.628 0.262 5.288 291 HG23 ILE 35 HG23 ILE 35 -4.515 0.645 3.976 292 HD11 ILE 35 HD11 ILE 35 -6.144 2.062 5.954 293 HD12 ILE 35 HD12 ILE 35 -7.873 2.194 5.629 294 HD13 ILE 35 HD13 ILE 35 -6.859 3.637 5.611 295 H GLU 36 H GLU 36 -8.180 -0.985 1.565 296 HA GLU 36 HA GLU 36 -6.247 -3.155 1.468 297 HB2 GLU 36 HB2 GLU 36 -8.291 -4.634 1.356 298 HB3 GLU 36 HB3 GLU 36 -8.082 -3.701 2.825 299 HG2 GLU 36 HG2 GLU 36 -9.844 -2.285 2.324 300 HG3 GLU 36 HG3 GLU 36 -9.833 -2.712 0.618 301 H LYS 37 H LYS 37 -8.775 -1.847 -0.700 302 HA LYS 37 HA LYS 37 -8.232 -3.805 -2.691 303 HB2 LYS 37 HB2 LYS 37 -10.399 -2.434 -2.103 304 HB3 LYS 37 HB3 LYS 37 -9.717 -1.266 -3.221 305 HG2 LYS 37 HG2 LYS 37 -10.408 -4.127 -3.836 306 HG3 LYS 37 HG3 LYS 37 -11.313 -2.699 -4.332 307 HD2 LYS 37 HD2 LYS 37 -8.494 -3.379 -5.154 308 HD3 LYS 37 HD3 LYS 37 -9.934 -3.590 -6.128 309 HE2 LYS 37 HE2 LYS 37 -8.791 -0.985 -5.148 310 HE3 LYS 37 HE3 LYS 37 -8.770 -1.581 -6.805 311 HZ1 LYS 37 HZ1 LYS 37 -11.224 -1.484 -6.774 312 HZ2 LYS 37 HZ2 LYS 37 -10.493 0.027 -6.573 313 HZ3 LYS 37 HZ3 LYS 37 -11.156 -0.767 -5.237 314 H ASP 38 H ASP 38 -7.766 -0.245 -2.562 315 HA ASP 38 HA ASP 38 -6.570 -0.274 -5.171 316 HB2 ASP 38 HB2 ASP 38 -6.839 1.965 -3.161 317 HB3 ASP 38 HB3 ASP 38 -6.231 2.165 -4.801 318 H ILE 39 H ILE 39 -5.365 0.104 -1.875 319 HA ILE 39 HA ILE 39 -2.674 0.628 -2.655 320 HB ILE 39 HB ILE 39 -3.731 -0.420 -0.021 321 HG12 ILE 39 HG12 ILE 39 -4.706 1.742 -0.605 322 HG13 ILE 39 HG13 ILE 39 -3.567 1.923 0.726 323 HG21 ILE 39 HG21 ILE 39 -1.068 0.837 -0.665 324 HG22 ILE 39 HG22 ILE 39 -1.351 -0.853 -0.246 325 HG23 ILE 39 HG23 ILE 39 -1.643 0.411 0.947 326 HD11 ILE 39 HD11 ILE 39 -1.886 2.759 -0.844 327 HD12 ILE 39 HD12 ILE 39 -3.350 3.740 -0.855 328 HD13 ILE 39 HD13 ILE 39 -3.047 2.595 -2.162 329 H LYS 40 H LYS 40 -4.562 -2.254 -2.232 330 HA LYS 40 HA LYS 40 -2.237 -3.808 -3.114 331 HB2 LYS 40 HB2 LYS 40 -4.144 -4.478 -0.916 332 HB3 LYS 40 HB3 LYS 40 -3.330 -5.753 -1.814 333 HG2 LYS 40 HG2 LYS 40 -1.233 -5.134 -1.044 334 HG3 LYS 40 HG3 LYS 40 -1.772 -3.515 -0.588 335 HD2 LYS 40 HD2 LYS 40 -2.644 -6.075 0.740 336 HD3 LYS 40 HD3 LYS 40 -1.415 -4.969 1.363 337 HE2 LYS 40 HE2 LYS 40 -4.282 -4.233 0.805 338 HE3 LYS 40 HE3 LYS 40 -3.630 -4.630 2.383 339 HZ1 LYS 40 HZ1 LYS 40 -2.592 -2.425 0.714 340 HZ2 LYS 40 HZ2 LYS 40 -2.233 -2.733 2.339 341 HZ3 LYS 40 HZ3 LYS 40 -3.785 -2.211 1.894 342 HA PRO 41 HA PRO 41 -5.876 -4.119 -5.936 343 HB2 PRO 41 HB2 PRO 41 -4.536 -3.805 -8.260 344 HB3 PRO 41 HB3 PRO 41 -5.013 -2.439 -7.248 345 HG2 PRO 41 HG2 PRO 41 -2.357 -3.786 -7.485 346 HG3 PRO 41 HG3 PRO 41 -2.729 -2.056 -7.365 347 HD2 PRO 41 HD2 PRO 41 -1.883 -3.567 -5.254 348 HD3 PRO 41 HD3 PRO 41 -2.905 -2.129 -5.082 349 H ALA 42 H ALA 42 -2.806 -5.796 -6.030 350 HA ALA 42 HA ALA 42 -4.171 -8.225 -6.878 351 HB1 ALA 42 HB1 ALA 42 -3.391 -7.184 -8.963 352 HB2 ALA 42 HB2 ALA 42 -2.549 -8.699 -8.635 353 HB3 ALA 42 HB3 ALA 42 -1.746 -7.159 -8.325 354 H ILE 43 H ILE 43 -2.798 -7.103 -4.477 355 HA ILE 43 HA ILE 43 -0.818 -9.230 -4.088 356 HB ILE 43 HB ILE 43 0.555 -7.503 -2.779 357 HG12 ILE 43 HG12 ILE 43 -0.914 -5.601 -4.614 358 HG13 ILE 43 HG13 ILE 43 -1.213 -5.729 -2.888 359 HG21 ILE 43 HG21 ILE 43 1.759 -6.808 -4.823 360 HG22 ILE 43 HG22 ILE 43 0.413 -7.412 -5.790 361 HG23 ILE 43 HG23 ILE 43 1.362 -8.527 -4.806 362 HD11 ILE 43 HD11 ILE 43 1.118 -5.065 -2.463 363 HD12 ILE 43 HD12 ILE 43 0.213 -3.843 -3.357 364 HD13 ILE 43 HD13 ILE 43 1.360 -4.884 -4.200 365 H GLY 44 H GLY 44 -3.591 -8.858 -3.160 366 HA2 GLY 44 HA2 GLY 44 -3.560 -8.165 -0.401 367 HA3 GLY 44 HA3 GLY 44 -4.793 -9.121 -1.210 368 H SER 45 H SER 45 -2.937 -11.156 -2.124 369 HA SER 45 HA SER 45 -2.710 -12.650 0.371 370 HB2 SER 45 HB2 SER 45 -2.244 -13.683 -2.431 371 HB3 SER 45 HB3 SER 45 -2.654 -14.611 -0.987 372 HG SER 45 HG SER 45 -4.310 -13.629 -2.777 373 H LEU 46 H LEU 46 -0.809 -10.509 -0.729 374 HA LEU 46 HA LEU 46 1.598 -11.924 -1.421 375 HB2 LEU 46 HB2 LEU 46 1.062 -9.752 -2.411 376 HB3 LEU 46 HB3 LEU 46 1.104 -9.006 -0.826 377 HG LEU 46 HG LEU 46 3.532 -9.662 -0.692 378 HD11 LEU 46 HD11 LEU 46 3.110 -10.250 -3.615 379 HD12 LEU 46 HD12 LEU 46 3.533 -11.419 -2.362 380 HD13 LEU 46 HD13 LEU 46 4.672 -10.146 -2.803 381 HD21 LEU 46 HD21 LEU 46 2.824 -7.392 -1.209 382 HD22 LEU 46 HD22 LEU 46 2.700 -7.809 -2.918 383 HD23 LEU 46 HD23 LEU 46 4.272 -7.818 -2.120 384 H LYS 47 H LYS 47 3.176 -12.566 -0.105 385 HA LYS 47 HA LYS 47 3.156 -12.139 2.692 386 HB2 LYS 47 HB2 LYS 47 4.209 -14.090 1.487 387 HB3 LYS 47 HB3 LYS 47 5.483 -12.995 0.957 388 HG2 LYS 47 HG2 LYS 47 6.194 -14.257 2.890 389 HG3 LYS 47 HG3 LYS 47 6.048 -12.544 3.295 390 HD2 LYS 47 HD2 LYS 47 5.026 -13.633 5.083 391 HD3 LYS 47 HD3 LYS 47 3.679 -13.134 4.068 392 HE2 LYS 47 HE2 LYS 47 3.278 -15.384 4.745 393 HE3 LYS 47 HE3 LYS 47 3.715 -15.405 3.040 394 HZ1 LYS 47 HZ1 LYS 47 4.819 -17.141 4.442 395 HZ2 LYS 47 HZ2 LYS 47 5.674 -15.893 5.211 396 HZ3 LYS 47 HZ3 LYS 47 5.877 -16.161 3.549 397 H VAL 48 H VAL 48 4.796 -10.954 3.905 398 HA VAL 48 HA VAL 48 4.998 -8.293 2.926 399 HB VAL 48 HB VAL 48 6.400 -9.418 5.355 400 HG11 VAL 48 HG11 VAL 48 5.427 -6.647 4.681 401 HG12 VAL 48 HG12 VAL 48 7.106 -7.188 4.726 402 HG13 VAL 48 HG13 VAL 48 6.157 -7.137 6.212 403 HG21 VAL 48 HG21 VAL 48 4.409 -8.788 6.634 404 HG22 VAL 48 HG22 VAL 48 4.051 -10.042 5.449 405 HG23 VAL 48 HG23 VAL 48 3.581 -8.371 5.137 406 H GLU 49 H GLU 49 7.340 -10.920 3.392 407 HA GLU 49 HA GLU 49 9.528 -9.261 2.461 408 HB2 GLU 49 HB2 GLU 49 9.725 -12.238 2.739 409 HB3 GLU 49 HB3 GLU 49 10.959 -11.018 3.001 410 HG2 GLU 49 HG2 GLU 49 10.541 -11.607 5.143 411 HG3 GLU 49 HG3 GLU 49 9.357 -10.314 4.969 412 H ASP 50 H ASP 50 7.057 -10.703 0.898 413 HA ASP 50 HA ASP 50 8.653 -11.795 -1.305 414 HB2 ASP 50 HB2 ASP 50 6.807 -13.160 -0.340 415 HB3 ASP 50 HB3 ASP 50 5.661 -11.936 -0.875 416 H VAL 51 H VAL 51 7.668 -8.868 -0.494 417 HA VAL 51 HA VAL 51 6.543 -8.099 -3.058 418 HB VAL 51 HB VAL 51 5.617 -7.069 -1.035 419 HG11 VAL 51 HG11 VAL 51 8.347 -5.841 -0.691 420 HG12 VAL 51 HG12 VAL 51 7.600 -7.042 0.361 421 HG13 VAL 51 HG13 VAL 51 6.909 -5.424 0.241 422 HG21 VAL 51 HG21 VAL 51 5.716 -4.717 -1.762 423 HG22 VAL 51 HG22 VAL 51 5.466 -5.829 -3.109 424 HG23 VAL 51 HG23 VAL 51 7.057 -5.121 -2.833 425 H LYS 52 H LYS 52 7.622 -7.201 -4.667 426 HA LYS 52 HA LYS 52 10.355 -6.223 -4.214 427 HB2 LYS 52 HB2 LYS 52 10.815 -6.950 -6.600 428 HB3 LYS 52 HB3 LYS 52 10.616 -8.255 -5.442 429 HG2 LYS 52 HG2 LYS 52 8.124 -7.501 -6.748 430 HG3 LYS 52 HG3 LYS 52 9.369 -8.053 -7.872 431 HD2 LYS 52 HD2 LYS 52 8.534 -9.555 -5.391 432 HD3 LYS 52 HD3 LYS 52 7.894 -9.873 -7.006 433 HE2 LYS 52 HE2 LYS 52 10.145 -10.400 -7.797 434 HE3 LYS 52 HE3 LYS 52 10.799 -10.054 -6.196 435 HZ1 LYS 52 HZ1 LYS 52 10.400 -12.465 -6.739 436 HZ2 LYS 52 HZ2 LYS 52 8.736 -12.132 -6.662 437 HZ3 LYS 52 HZ3 LYS 52 9.708 -11.915 -5.291 438 HA PRO 53 HA PRO 53 9.356 -2.320 -6.042 439 HB2 PRO 53 HB2 PRO 53 11.298 -2.904 -8.230 440 HB3 PRO 53 HB3 PRO 53 11.172 -1.482 -7.187 441 HG2 PRO 53 HG2 PRO 53 13.064 -3.289 -6.757 442 HG3 PRO 53 HG3 PRO 53 12.205 -2.546 -5.395 443 HD2 PRO 53 HD2 PRO 53 11.893 -5.269 -6.577 444 HD3 PRO 53 HD3 PRO 53 11.791 -4.757 -4.881 445 H ARG 54 H ARG 54 9.532 -5.044 -8.260 446 HA ARG 54 HA ARG 54 8.128 -4.051 -10.435 447 HB2 ARG 54 HB2 ARG 54 9.179 -6.461 -9.741 448 HB3 ARG 54 HB3 ARG 54 7.464 -6.810 -9.620 449 HG2 ARG 54 HG2 ARG 54 8.892 -5.754 -12.048 450 HG3 ARG 54 HG3 ARG 54 8.334 -7.407 -11.805 451 HD2 ARG 54 HD2 ARG 54 6.007 -6.415 -11.544 452 HD3 ARG 54 HD3 ARG 54 6.693 -4.918 -12.175 453 HE ARG 54 HE ARG 54 7.133 -7.312 -13.766 454 HH11 ARG 54 HH11 ARG 54 5.251 -4.379 -13.299 455 HH12 ARG 54 HH12 ARG 54 4.536 -4.449 -14.881 456 HH21 ARG 54 HH21 ARG 54 6.222 -7.382 -15.824 457 HH22 ARG 54 HH22 ARG 54 5.106 -6.153 -16.335 458 H HIS 55 H HIS 55 6.931 -5.273 -7.343 459 HA HIS 55 HA HIS 55 4.177 -5.247 -8.093 460 HB2 HIS 55 HB2 HIS 55 5.490 -5.277 -5.371 461 HB3 HIS 55 HB3 HIS 55 3.750 -5.341 -5.607 462 HD1 HIS 55 HD1 HIS 55 3.753 -7.389 -7.999 463 HD2 HIS 55 HD2 HIS 55 5.864 -7.818 -4.439 464 HE1 HIS 55 HE1 HIS 55 4.170 -9.854 -7.742 465 HE2 HIS 55 HE2 HIS 55 5.263 -10.108 -5.492 466 H ILE 56 H ILE 56 6.374 -2.939 -6.621 467 HA ILE 56 HA ILE 56 4.498 -0.977 -5.881 468 HB ILE 56 HB ILE 56 7.340 -0.534 -6.827 469 HG12 ILE 56 HG12 ILE 56 7.272 -2.123 -4.969 470 HG13 ILE 56 HG13 ILE 56 7.943 -0.585 -4.438 471 HG21 ILE 56 HG21 ILE 56 5.544 1.195 -5.129 472 HG22 ILE 56 HG22 ILE 56 6.030 1.517 -6.794 473 HG23 ILE 56 HG23 ILE 56 7.235 1.528 -5.505 474 HD11 ILE 56 HD11 ILE 56 6.451 -1.494 -2.768 475 HD12 ILE 56 HD12 ILE 56 5.140 -1.570 -3.946 476 HD13 ILE 56 HD13 ILE 56 5.780 -0.007 -3.437 477 H ASP 57 H ASP 57 6.184 -1.635 -8.905 478 HA ASP 57 HA ASP 57 5.144 0.550 -10.373 479 HB2 ASP 57 HB2 ASP 57 7.017 -0.587 -11.306 480 HB3 ASP 57 HB3 ASP 57 6.220 -2.151 -11.183 481 H ASP 58 H ASP 58 4.096 -2.803 -9.995 482 HA ASP 58 HA ASP 58 1.956 -2.713 -11.802 483 HB2 ASP 58 HB2 ASP 58 2.950 -4.806 -10.982 484 HB3 ASP 58 HB3 ASP 58 2.288 -4.492 -9.381 485 H VAL 59 H VAL 59 2.060 -1.933 -8.340 486 HA VAL 59 HA VAL 59 -0.779 -1.628 -8.162 487 HB VAL 59 HB VAL 59 0.414 -2.131 -6.127 488 HG11 VAL 59 HG11 VAL 59 1.827 0.506 -6.490 489 HG12 VAL 59 HG12 VAL 59 2.552 -1.099 -6.593 490 HG13 VAL 59 HG13 VAL 59 1.919 -0.514 -5.055 491 HG21 VAL 59 HG21 VAL 59 -0.712 0.664 -6.034 492 HG22 VAL 59 HG22 VAL 59 -0.462 -0.393 -4.644 493 HG23 VAL 59 HG23 VAL 59 -1.626 -0.836 -5.891 494 H LEU 60 H LEU 60 1.927 0.623 -8.602 495 HA LEU 60 HA LEU 60 0.327 2.968 -8.480 496 HB2 LEU 60 HB2 LEU 60 3.050 2.476 -9.693 497 HB3 LEU 60 HB3 LEU 60 2.307 4.058 -9.588 498 HG LEU 60 HG LEU 60 3.093 2.307 -7.257 499 HD11 LEU 60 HD11 LEU 60 4.717 4.094 -6.811 500 HD12 LEU 60 HD12 LEU 60 4.236 4.888 -8.309 501 HD13 LEU 60 HD13 LEU 60 5.003 3.301 -8.359 502 HD21 LEU 60 HD21 LEU 60 1.890 5.074 -7.280 503 HD22 LEU 60 HD22 LEU 60 2.469 4.206 -5.858 504 HD23 LEU 60 HD23 LEU 60 1.080 3.597 -6.757 505 H LYS 61 H LYS 61 1.427 0.941 -11.189 506 HA LYS 61 HA LYS 61 0.374 2.651 -13.184 507 HB2 LYS 61 HB2 LYS 61 0.675 0.821 -14.722 508 HB3 LYS 61 HB3 LYS 61 2.063 0.923 -13.652 509 HG2 LYS 61 HG2 LYS 61 1.112 -0.935 -12.317 510 HG3 LYS 61 HG3 LYS 61 -0.191 -1.067 -13.501 511 HD2 LYS 61 HD2 LYS 61 2.757 -1.434 -14.022 512 HD3 LYS 61 HD3 LYS 61 1.526 -2.699 -13.990 513 HE2 LYS 61 HE2 LYS 61 0.433 -1.743 -15.913 514 HE3 LYS 61 HE3 LYS 61 1.538 -0.370 -15.901 515 HZ1 LYS 61 HZ1 LYS 61 2.167 -1.986 -17.571 516 HZ2 LYS 61 HZ2 LYS 61 2.301 -3.198 -16.394 517 HZ3 LYS 61 HZ3 LYS 61 3.365 -1.880 -16.374 518 H ALA 62 H ALA 62 -1.007 0.113 -11.222 519 HA ALA 62 HA ALA 62 -3.454 -0.128 -12.640 520 HB1 ALA 62 HB1 ALA 62 -4.286 -1.241 -10.628 521 HB2 ALA 62 HB2 ALA 62 -2.865 -0.700 -9.735 522 HB3 ALA 62 HB3 ALA 62 -2.685 -1.838 -11.070 523 H VAL 63 H VAL 63 -2.553 1.687 -9.701 524 HA VAL 63 HA VAL 63 -5.100 2.830 -9.321 525 HB VAL 63 HB VAL 63 -3.994 4.419 -7.784 526 HG11 VAL 63 HG11 VAL 63 -3.163 2.747 -6.198 527 HG12 VAL 63 HG12 VAL 63 -3.112 1.556 -7.496 528 HG13 VAL 63 HG13 VAL 63 -4.656 2.232 -6.980 529 HG21 VAL 63 HG21 VAL 63 -1.921 4.783 -8.993 530 HG22 VAL 63 HG22 VAL 63 -1.440 3.113 -8.689 531 HG23 VAL 63 HG23 VAL 63 -1.604 4.243 -7.344 532 H MET 64 H MET 64 -2.352 3.879 -11.244 533 HA MET 64 HA MET 64 -3.463 6.479 -11.753 534 HB2 MET 64 HB2 MET 64 -1.229 4.956 -13.084 535 HB3 MET 64 HB3 MET 64 -1.707 6.581 -13.550 536 HG2 MET 64 HG2 MET 64 -1.234 7.319 -11.226 537 HG3 MET 64 HG3 MET 64 -0.603 5.707 -10.894 538 HE1 MET 64 HE1 MET 64 0.809 4.983 -13.657 539 HE2 MET 64 HE2 MET 64 1.567 4.688 -12.092 540 HE3 MET 64 HE3 MET 64 2.457 5.535 -13.357 541 H LYS 65 H LYS 65 -3.872 3.330 -13.099 542 HA LYS 65 HA LYS 65 -4.803 4.261 -15.647 543 HB2 LYS 65 HB2 LYS 65 -3.588 2.103 -15.283 544 HB3 LYS 65 HB3 LYS 65 -4.987 1.514 -14.399 545 HG2 LYS 65 HG2 LYS 65 -5.331 2.510 -17.180 546 HG3 LYS 65 HG3 LYS 65 -4.644 0.909 -16.901 547 HD2 LYS 65 HD2 LYS 65 -7.198 1.771 -15.595 548 HD3 LYS 65 HD3 LYS 65 -7.171 1.103 -17.213 549 HE2 LYS 65 HE2 LYS 65 -5.845 -0.836 -16.178 550 HE3 LYS 65 HE3 LYS 65 -6.415 -0.205 -14.635 551 HZ1 LYS 65 HZ1 LYS 65 -7.889 -1.924 -15.438 552 HZ2 LYS 65 HZ2 LYS 65 -8.126 -1.096 -16.895 553 HZ3 LYS 65 HZ3 LYS 65 -8.698 -0.435 -15.445 554 H ARG 66 H ARG 66 -6.255 2.713 -12.789 555 HA ARG 66 HA ARG 66 -8.937 3.180 -13.733 556 HB2 ARG 66 HB2 ARG 66 -9.639 2.278 -11.554 557 HB3 ARG 66 HB3 ARG 66 -8.480 1.226 -12.352 558 HG2 ARG 66 HG2 ARG 66 -6.713 2.003 -10.912 559 HG3 ARG 66 HG3 ARG 66 -7.790 3.188 -10.174 560 HD2 ARG 66 HD2 ARG 66 -8.306 0.227 -10.119 561 HD3 ARG 66 HD3 ARG 66 -7.410 1.071 -8.860 562 HE ARG 66 HE ARG 66 -9.396 2.218 -8.252 563 HH11 ARG 66 HH11 ARG 66 -9.899 -0.285 -10.658 564 HH12 ARG 66 HH12 ARG 66 -11.619 -0.349 -10.397 565 HH21 ARG 66 HH21 ARG 66 -11.642 2.105 -7.900 566 HH22 ARG 66 HH22 ARG 66 -12.603 0.988 -8.840 567 H GLY 67 H GLY 67 -6.611 5.066 -12.182 568 HA2 GLY 67 HA2 GLY 67 -8.687 7.012 -11.421 569 HA3 GLY 67 HA3 GLY 67 -7.355 6.659 -10.332 570 H ALA 68 H ALA 68 -5.722 8.027 -10.406 571 HA ALA 68 HA ALA 68 -4.900 9.246 -12.909 572 HB1 ALA 68 HB1 ALA 68 -6.649 10.758 -12.109 573 HB2 ALA 68 HB2 ALA 68 -5.064 11.529 -12.040 574 HB3 ALA 68 HB3 ALA 68 -5.815 10.915 -10.565 575 HA PRO 69 HA PRO 69 -0.850 8.938 -11.130 576 HB2 PRO 69 HB2 PRO 69 0.271 11.308 -11.995 577 HB3 PRO 69 HB3 PRO 69 0.130 9.845 -12.973 578 HG2 PRO 69 HG2 PRO 69 -1.611 12.274 -12.932 579 HG3 PRO 69 HG3 PRO 69 -1.063 11.312 -14.316 580 HD2 PRO 69 HD2 PRO 69 -3.545 11.069 -13.336 581 HD3 PRO 69 HD3 PRO 69 -2.653 9.664 -13.960 582 H SER 70 H SER 70 -2.782 11.771 -10.543 583 HA SER 70 HA SER 70 -1.269 13.045 -8.579 584 HB2 SER 70 HB2 SER 70 -4.282 12.889 -8.570 585 HB3 SER 70 HB3 SER 70 -3.258 14.233 -8.061 586 HG SER 70 HG SER 70 -4.086 14.694 -10.099 587 H ILE 71 H ILE 71 -3.412 10.265 -8.433 588 HA ILE 71 HA ILE 71 -3.549 10.137 -5.574 589 HB ILE 71 HB ILE 71 -4.113 7.956 -7.591 590 HG12 ILE 71 HG12 ILE 71 -6.017 9.949 -6.342 591 HG13 ILE 71 HG13 ILE 71 -5.450 9.998 -8.008 592 HG21 ILE 71 HG21 ILE 71 -5.517 6.998 -5.831 593 HG22 ILE 71 HG22 ILE 71 -5.015 8.283 -4.732 594 HG23 ILE 71 HG23 ILE 71 -3.832 7.118 -5.324 595 HD11 ILE 71 HD11 ILE 71 -7.094 7.797 -6.778 596 HD12 ILE 71 HD12 ILE 71 -6.545 7.872 -8.454 597 HD13 ILE 71 HD13 ILE 71 -7.692 9.067 -7.845 598 H ALA 72 H ALA 72 -1.497 8.785 -8.061 599 HA ALA 72 HA ALA 72 -0.422 6.590 -6.756 600 HB1 ALA 72 HB1 ALA 72 0.945 8.392 -8.744 601 HB2 ALA 72 HB2 ALA 72 -0.095 7.019 -9.126 602 HB3 ALA 72 HB3 ALA 72 1.447 6.757 -8.311 603 H ASN 73 H ASN 73 0.537 9.978 -6.539 604 HA ASN 73 HA ASN 73 2.943 9.648 -5.145 605 HB2 ASN 73 HB2 ASN 73 0.926 11.897 -5.015 606 HB3 ASN 73 HB3 ASN 73 2.521 11.965 -4.275 607 HD21 ASN 73 HD21 ASN 73 0.718 12.083 -7.214 608 HD22 ASN 73 HD22 ASN 73 2.024 12.554 -8.239 609 H ASP 74 H ASP 74 -0.372 10.022 -3.946 610 HA ASP 74 HA ASP 74 0.410 9.756 -1.204 611 HB2 ASP 74 HB2 ASP 74 -2.229 9.876 -2.622 612 HB3 ASP 74 HB3 ASP 74 -2.155 9.400 -0.928 613 H THR 75 H THR 75 -0.737 7.584 -3.713 614 HA THR 75 HA THR 75 -1.199 5.312 -2.143 615 HB THR 75 HB THR 75 -0.013 5.376 -4.932 616 HG1 THR 75 HG1 THR 75 -2.711 4.873 -4.594 617 HG21 THR 75 HG21 THR 75 0.143 3.178 -3.873 618 HG22 THR 75 HG22 THR 75 -1.053 3.164 -5.168 619 HG23 THR 75 HG23 THR 75 -1.576 3.232 -3.486 620 H LEU 76 H LEU 76 1.791 6.530 -3.623 621 HA LEU 76 HA LEU 76 3.490 4.474 -2.702 622 HB2 LEU 76 HB2 LEU 76 4.004 6.159 -4.493 623 HB3 LEU 76 HB3 LEU 76 4.219 7.359 -3.235 624 HG LEU 76 HG LEU 76 5.870 4.853 -3.187 625 HD11 LEU 76 HD11 LEU 76 6.113 5.688 -5.449 626 HD12 LEU 76 HD12 LEU 76 7.575 6.017 -4.518 627 HD13 LEU 76 HD13 LEU 76 6.423 7.314 -4.838 628 HD21 LEU 76 HD21 LEU 76 5.962 6.343 -1.261 629 HD22 LEU 76 HD22 LEU 76 6.369 7.696 -2.312 630 HD23 LEU 76 HD23 LEU 76 7.496 6.352 -2.131 631 H ARG 77 H ARG 77 2.484 7.554 -1.297 632 HA ARG 77 HA ARG 77 4.086 7.503 1.004 633 HB2 ARG 77 HB2 ARG 77 1.330 8.677 0.575 634 HB3 ARG 77 HB3 ARG 77 2.317 8.970 2.002 635 HG2 ARG 77 HG2 ARG 77 3.992 10.073 0.697 636 HG3 ARG 77 HG3 ARG 77 3.175 9.633 -0.803 637 HD2 ARG 77 HD2 ARG 77 1.258 11.006 -0.170 638 HD3 ARG 77 HD3 ARG 77 2.058 11.434 1.342 639 HE ARG 77 HE ARG 77 3.872 12.244 -0.424 640 HH11 ARG 77 HH11 ARG 77 0.388 12.681 -0.426 641 HH12 ARG 77 HH12 ARG 77 0.466 14.218 -1.241 642 HH21 ARG 77 HH21 ARG 77 3.969 14.236 -1.512 643 HH22 ARG 77 HH22 ARG 77 2.501 15.120 -1.846 644 H TRP 78 H TRP 78 0.855 6.179 0.405 645 HA TRP 78 HA TRP 78 0.459 5.099 2.978 646 HB2 TRP 78 HB2 TRP 78 -0.847 4.969 0.378 647 HB3 TRP 78 HB3 TRP 78 -0.954 3.447 1.258 648 HD1 TRP 78 HD1 TRP 78 -3.108 3.308 2.601 649 HE1 TRP 78 HE1 TRP 78 -4.618 4.956 3.874 650 HE3 TRP 78 HE3 TRP 78 -0.493 7.626 1.755 651 HZ2 TRP 78 HZ2 TRP 78 -4.687 7.717 4.451 652 HZ3 TRP 78 HZ3 TRP 78 -1.351 9.725 2.709 653 HH2 TRP 78 HH2 TRP 78 -3.406 9.766 4.029 654 H LEU 79 H LEU 79 1.770 3.675 -0.003 655 HA LEU 79 HA LEU 79 2.241 1.093 0.945 656 HB2 LEU 79 HB2 LEU 79 3.839 2.734 -1.025 657 HB3 LEU 79 HB3 LEU 79 4.070 1.018 -0.760 658 HG LEU 79 HG LEU 79 1.505 2.255 -1.756 659 HD11 LEU 79 HD11 LEU 79 3.289 2.546 -3.385 660 HD12 LEU 79 HD12 LEU 79 2.133 1.331 -3.933 661 HD13 LEU 79 HD13 LEU 79 3.690 0.831 -3.271 662 HD21 LEU 79 HD21 LEU 79 2.416 -0.616 -1.591 663 HD22 LEU 79 HD22 LEU 79 0.905 -0.050 -2.304 664 HD23 LEU 79 HD23 LEU 79 1.190 0.143 -0.575 665 H LYS 80 H LYS 80 4.304 3.974 1.070 666 HA LYS 80 HA LYS 80 6.568 2.836 2.170 667 HB2 LYS 80 HB2 LYS 80 6.110 5.181 1.164 668 HB3 LYS 80 HB3 LYS 80 5.624 5.622 2.793 669 HG2 LYS 80 HG2 LYS 80 8.306 4.445 2.140 670 HG3 LYS 80 HG3 LYS 80 7.978 6.178 2.154 671 HD2 LYS 80 HD2 LYS 80 7.558 4.325 4.491 672 HD3 LYS 80 HD3 LYS 80 8.968 5.339 4.243 673 HE2 LYS 80 HE2 LYS 80 7.435 7.319 4.187 674 HE3 LYS 80 HE3 LYS 80 6.135 6.233 4.669 675 HZ1 LYS 80 HZ1 LYS 80 7.033 7.343 6.588 676 HZ2 LYS 80 HZ2 LYS 80 8.602 6.814 6.219 677 HZ3 LYS 80 HZ3 LYS 80 7.419 5.694 6.677 678 H ARG 81 H ARG 81 3.830 4.448 3.801 679 HA ARG 81 HA ARG 81 4.931 3.983 6.397 680 HB2 ARG 81 HB2 ARG 81 2.795 4.871 7.244 681 HB3 ARG 81 HB3 ARG 81 3.530 5.914 6.039 682 HG2 ARG 81 HG2 ARG 81 1.976 4.793 4.360 683 HG3 ARG 81 HG3 ARG 81 1.120 4.154 5.766 684 HD2 ARG 81 HD2 ARG 81 0.086 6.215 4.985 685 HD3 ARG 81 HD3 ARG 81 0.781 6.432 6.590 686 HE ARG 81 HE ARG 81 2.612 7.187 4.541 687 HH11 ARG 81 HH11 ARG 81 -0.224 8.304 6.260 688 HH12 ARG 81 HH12 ARG 81 0.162 9.988 6.062 689 HH21 ARG 81 HH21 ARG 81 3.130 9.398 4.302 690 HH22 ARG 81 HH22 ARG 81 2.068 10.602 4.980 691 H MET 82 H MET 82 2.716 2.241 4.335 692 HA MET 82 HA MET 82 1.652 0.509 6.303 693 HB2 MET 82 HB2 MET 82 0.678 0.772 4.043 694 HB3 MET 82 HB3 MET 82 2.088 -0.020 3.354 695 HG2 MET 82 HG2 MET 82 1.535 -2.066 4.584 696 HG3 MET 82 HG3 MET 82 0.117 -1.267 5.257 697 HE1 MET 82 HE1 MET 82 1.821 -2.665 2.009 698 HE2 MET 82 HE2 MET 82 1.574 -0.962 1.626 699 HE3 MET 82 HE3 MET 82 0.656 -2.201 0.769 700 H PHE 83 H PHE 83 4.357 0.086 4.010 701 HA PHE 83 HA PHE 83 5.177 -2.391 5.153 702 HB2 PHE 83 HB2 PHE 83 6.594 -0.461 3.314 703 HB3 PHE 83 HB3 PHE 83 7.304 -1.982 3.842 704 HD1 PHE 83 HD1 PHE 83 5.613 -4.059 3.528 705 HD2 PHE 83 HD2 PHE 83 5.591 -0.461 1.255 706 HE1 PHE 83 HE1 PHE 83 4.482 -5.235 1.685 707 HE2 PHE 83 HE2 PHE 83 4.456 -1.629 -0.591 708 HZ PHE 83 HZ PHE 83 3.902 -4.019 -0.376 709 H ASN 84 H ASN 84 5.847 0.938 5.830 710 HA ASN 84 HA ASN 84 8.240 0.728 7.266 711 HB2 ASN 84 HB2 ASN 84 6.876 2.821 6.516 712 HB3 ASN 84 HB3 ASN 84 6.056 2.637 8.060 713 HD21 ASN 84 HD21 ASN 84 8.426 1.709 9.476 714 HD22 ASN 84 HD22 ASN 84 9.437 3.097 9.668 715 H TYR 85 H TYR 85 4.883 0.329 8.277 716 HA TYR 85 HA TYR 85 5.405 0.009 11.050 717 HB2 TYR 85 HB2 TYR 85 3.193 0.589 9.949 718 HB3 TYR 85 HB3 TYR 85 3.062 -1.102 9.502 719 HD1 TYR 85 HD1 TYR 85 4.538 -0.277 12.735 720 HD2 TYR 85 HD2 TYR 85 0.929 -1.219 10.686 721 HE1 TYR 85 HE1 TYR 85 3.443 -0.748 14.886 722 HE2 TYR 85 HE2 TYR 85 -0.171 -1.696 12.829 723 HH TYR 85 HH TYR 85 0.496 -2.392 15.113 724 H ALA 86 H ALA 86 5.318 -2.193 8.316 725 HA ALA 86 HA ALA 86 5.536 -4.593 9.848 726 HB1 ALA 86 HB1 ALA 86 6.259 -4.094 6.963 727 HB2 ALA 86 HB2 ALA 86 4.681 -4.609 7.557 728 HB3 ALA 86 HB3 ALA 86 6.078 -5.671 7.728 729 H ILE 87 H ILE 87 7.860 -2.447 8.255 730 HA ILE 87 HA ILE 87 10.217 -3.865 8.898 731 HB ILE 87 HB ILE 87 9.843 -0.865 8.658 732 HG12 ILE 87 HG12 ILE 87 10.754 -2.842 6.560 733 HG13 ILE 87 HG13 ILE 87 9.132 -2.173 6.658 734 HG21 ILE 87 HG21 ILE 87 12.251 -0.824 8.134 735 HG22 ILE 87 HG22 ILE 87 12.342 -2.548 8.497 736 HG23 ILE 87 HG23 ILE 87 11.925 -1.399 9.769 737 HD11 ILE 87 HD11 ILE 87 10.063 0.075 6.339 738 HD12 ILE 87 HD12 ILE 87 10.415 -1.006 4.990 739 HD13 ILE 87 HD13 ILE 87 11.669 -0.634 6.174 740 H LYS 88 H LYS 88 8.386 -1.392 10.566 741 HA LYS 88 HA LYS 88 10.020 -0.974 12.776 742 HB2 LYS 88 HB2 LYS 88 8.253 0.537 12.209 743 HB3 LYS 88 HB3 LYS 88 7.042 -0.720 12.371 744 HG2 LYS 88 HG2 LYS 88 8.658 0.030 14.752 745 HG3 LYS 88 HG3 LYS 88 7.362 1.101 14.214 746 HD2 LYS 88 HD2 LYS 88 5.892 -0.994 14.198 747 HD3 LYS 88 HD3 LYS 88 7.180 -1.748 15.140 748 HE2 LYS 88 HE2 LYS 88 5.707 0.766 15.868 749 HE3 LYS 88 HE3 LYS 88 5.407 -0.828 16.551 750 HZ1 LYS 88 HZ1 LYS 88 7.728 -0.822 17.369 751 HZ2 LYS 88 HZ2 LYS 88 6.795 0.428 18.037 752 HZ3 LYS 88 HZ3 LYS 88 7.903 0.768 16.804 753 H ARG 89 H ARG 89 7.307 -3.271 12.394 754 HA ARG 89 HA ARG 89 7.787 -4.398 15.003 755 HB2 ARG 89 HB2 ARG 89 5.958 -5.843 14.599 756 HB3 ARG 89 HB3 ARG 89 5.521 -4.307 13.871 757 HG2 ARG 89 HG2 ARG 89 6.018 -5.153 11.677 758 HG3 ARG 89 HG3 ARG 89 6.631 -6.662 12.362 759 HD2 ARG 89 HD2 ARG 89 4.448 -7.154 11.645 760 HD3 ARG 89 HD3 ARG 89 4.327 -6.951 13.390 761 HE ARG 89 HE ARG 89 3.580 -4.837 11.480 762 HH11 ARG 89 HH11 ARG 89 2.975 -6.663 14.429 763 HH12 ARG 89 HH12 ARG 89 1.473 -5.840 14.749 764 HH21 ARG 89 HH21 ARG 89 1.600 -3.795 11.932 765 HH22 ARG 89 HH22 ARG 89 0.709 -4.218 13.367 766 H HIS 90 H HIS 90 9.568 -4.532 12.359 767 HA HIS 90 HA HIS 90 11.410 -5.720 11.827 768 HB2 HIS 90 HB2 HIS 90 11.292 -5.972 14.488 769 HB3 HIS 90 HB3 HIS 90 11.095 -7.664 14.050 770 HD1 HIS 90 HD1 HIS 90 13.618 -6.164 15.444 771 HD2 HIS 90 HD2 HIS 90 13.334 -7.598 11.545 772 HE1 HIS 90 HE1 HIS 90 15.989 -6.537 14.674 773 HE2 HIS 90 HE2 HIS 90 15.786 -7.551 12.377 774 H ILE 91 H ILE 91 9.331 -6.396 10.318 775 HA ILE 91 HA ILE 91 9.577 -9.323 10.076 776 HB ILE 91 HB ILE 91 7.640 -7.444 8.707 777 HG12 ILE 91 HG12 ILE 91 7.238 -9.604 10.790 778 HG13 ILE 91 HG13 ILE 91 7.079 -7.871 11.045 779 HG21 ILE 91 HG21 ILE 91 8.270 -9.229 7.194 780 HG22 ILE 91 HG22 ILE 91 6.621 -9.478 7.767 781 HG23 ILE 91 HG23 ILE 91 7.942 -10.433 8.441 782 HD11 ILE 91 HD11 ILE 91 5.336 -9.554 9.258 783 HD12 ILE 91 HD12 ILE 91 5.170 -7.820 9.530 784 HD13 ILE 91 HD13 ILE 91 4.909 -8.948 10.859 785 H ILE 92 H ILE 92 9.657 -6.364 8.129 786 HA ILE 92 HA ILE 92 11.718 -7.624 6.450 787 HB ILE 92 HB ILE 92 11.131 -5.825 4.762 788 HG12 ILE 92 HG12 ILE 92 8.633 -5.618 6.463 789 HG13 ILE 92 HG13 ILE 92 9.871 -4.374 6.328 790 HG21 ILE 92 HG21 ILE 92 10.509 -8.139 4.451 791 HG22 ILE 92 HG22 ILE 92 9.218 -7.085 3.877 792 HG23 ILE 92 HG23 ILE 92 9.060 -7.907 5.429 793 HD11 ILE 92 HD11 ILE 92 8.146 -5.387 4.080 794 HD12 ILE 92 HD12 ILE 92 9.365 -4.119 3.963 795 HD13 ILE 92 HD13 ILE 92 7.927 -3.871 4.954 796 H GLU 93 H GLU 93 13.396 -6.123 5.655 797 HA GLU 93 HA GLU 93 14.112 -4.290 7.828 798 HB2 GLU 93 HB2 GLU 93 15.839 -5.595 5.718 799 HB3 GLU 93 HB3 GLU 93 16.423 -4.513 6.975 800 HG2 GLU 93 HG2 GLU 93 15.699 -6.096 8.682 801 HG3 GLU 93 HG3 GLU 93 15.102 -7.179 7.424 802 H TYR 94 H TYR 94 12.862 -4.161 4.752 803 HA TYR 94 HA TYR 94 13.329 -1.352 4.515 804 HB2 TYR 94 HB2 TYR 94 14.532 -1.367 2.396 805 HB3 TYR 94 HB3 TYR 94 15.469 -2.231 3.609 806 HD1 TYR 94 HD1 TYR 94 15.473 -4.756 3.568 807 HD2 TYR 94 HD2 TYR 94 13.859 -2.423 0.401 808 HE1 TYR 94 HE1 TYR 94 15.610 -6.704 2.074 809 HE2 TYR 94 HE2 TYR 94 13.985 -4.364 -1.101 810 HH TYR 94 HH TYR 94 15.283 -6.483 -1.277 811 H ASN 95 H ASN 95 12.262 -0.468 2.545 812 HA ASN 95 HA ASN 95 10.083 -2.231 1.649 813 HB2 ASN 95 HB2 ASN 95 8.740 -0.214 1.280 814 HB3 ASN 95 HB3 ASN 95 9.289 -0.292 2.950 815 HD21 ASN 95 HD21 ASN 95 8.432 1.984 1.275 816 HD22 ASN 95 HD22 ASN 95 9.738 3.124 1.329 817 HA PRO 96 HA PRO 96 11.761 -2.051 -2.414 818 HB2 PRO 96 HB2 PRO 96 9.007 -2.177 -3.446 819 HB3 PRO 96 HB3 PRO 96 10.332 -3.331 -3.630 820 HG2 PRO 96 HG2 PRO 96 8.222 -3.855 -2.061 821 HG3 PRO 96 HG3 PRO 96 9.856 -4.397 -1.638 822 HD2 PRO 96 HD2 PRO 96 8.295 -2.068 -0.581 823 HD3 PRO 96 HD3 PRO 96 9.327 -3.221 0.292 824 H ALA 97 H ALA 97 9.389 0.197 -1.342 825 HA ALA 97 HA ALA 97 9.249 1.780 -3.712 826 HB1 ALA 97 HB1 ALA 97 7.437 1.779 -2.082 827 HB2 ALA 97 HB2 ALA 97 8.079 3.406 -2.306 828 HB3 ALA 97 HB3 ALA 97 8.511 2.477 -0.871 829 H ALA 98 H ALA 98 11.618 1.403 -1.334 830 HA ALA 98 HA ALA 98 12.600 4.086 -1.248 831 HB1 ALA 98 HB1 ALA 98 14.518 3.142 -0.086 832 HB2 ALA 98 HB2 ALA 98 13.997 1.513 -0.517 833 HB3 ALA 98 HB3 ALA 98 13.012 2.496 0.567 834 H ALA 99 H ALA 99 12.635 1.792 -3.659 835 HA ALA 99 HA ALA 99 15.231 2.488 -4.758 836 HB1 ALA 99 HB1 ALA 99 14.632 0.958 -6.575 837 HB2 ALA 99 HB2 ALA 99 13.020 0.773 -5.885 838 HB3 ALA 99 HB3 ALA 99 14.431 0.202 -4.994 839 H PHE 100 H PHE 100 12.407 4.061 -4.562 840 HA PHE 100 HA PHE 100 12.743 5.328 -7.193 841 HB2 PHE 100 HB2 PHE 100 10.163 4.937 -5.660 842 HB3 PHE 100 HB3 PHE 100 10.324 5.808 -7.182 843 HD1 PHE 100 HD1 PHE 100 11.091 4.533 -9.221 844 HD2 PHE 100 HD2 PHE 100 9.871 2.623 -5.622 845 HE1 PHE 100 HE1 PHE 100 10.743 2.436 -10.458 846 HE2 PHE 100 HE2 PHE 100 9.518 0.523 -6.851 847 HZ PHE 100 HZ PHE 100 9.955 0.426 -9.276 848 H ASP 101 H ASP 101 13.481 7.295 -7.024 849 HA ASP 101 HA ASP 101 13.185 8.819 -4.563 850 HB2 ASP 101 HB2 ASP 101 15.378 8.788 -5.603 851 HB3 ASP 101 HB3 ASP 101 14.704 9.360 -7.124 852 HA PRO 102 HA PRO 102 9.698 10.786 -6.588 853 HB2 PRO 102 HB2 PRO 102 8.393 11.513 -4.387 854 HB3 PRO 102 HB3 PRO 102 8.521 9.809 -4.843 855 HG2 PRO 102 HG2 PRO 102 10.021 11.332 -2.760 856 HG3 PRO 102 HG3 PRO 102 9.418 9.666 -2.714 857 HD2 PRO 102 HD2 PRO 102 12.043 10.446 -3.316 858 HD3 PRO 102 HD3 PRO 102 11.327 8.856 -3.642 859 H GLY 103 H GLY 103 8.512 12.977 -6.050 860 HA2 GLY 103 HA2 GLY 103 10.546 15.021 -5.413 861 HA3 GLY 103 HA3 GLY 103 9.525 15.165 -6.836 862 H ASP 104 H ASP 104 7.960 16.574 -6.577 863 HA ASP 104 HA ASP 104 6.409 16.590 -4.109 864 HB2 ASP 104 HB2 ASP 104 8.035 18.241 -3.538 865 HB3 ASP 104 HB3 ASP 104 7.963 18.966 -5.139 866 H ALA 105 H ALA 105 4.296 17.173 -4.429 867 HA ALA 105 HA ALA 105 3.376 17.130 -7.140 868 HB1 ALA 105 HB1 ALA 105 1.139 17.201 -6.181 869 HB2 ALA 105 HB2 ALA 105 1.817 17.566 -4.594 870 HB3 ALA 105 HB3 ALA 105 2.139 16.006 -5.354 871 H GLY 106 H GLY 106 3.595 18.883 -8.369 872 HA2 GLY 106 HA2 GLY 106 3.093 21.514 -7.156 873 HA3 GLY 106 HA3 GLY 106 4.030 21.235 -8.617 874 H GLY 107 H GLY 107 2.386 23.090 -9.099 875 HA2 GLY 107 HA2 GLY 107 0.824 23.584 -10.764 876 HA3 GLY 107 HA3 GLY 107 0.390 21.880 -10.832 877 H LYS 108 H LYS 108 0.453 24.088 -8.080 878 HA LYS 108 HA LYS 108 -2.186 23.235 -7.287 879 HB2 LYS 108 HB2 LYS 108 -1.849 24.760 -5.369 880 HB3 LYS 108 HB3 LYS 108 -0.523 23.624 -5.561 881 HG2 LYS 108 HG2 LYS 108 0.866 25.331 -6.533 882 HG3 LYS 108 HG3 LYS 108 -0.476 26.477 -6.525 883 HD2 LYS 108 HD2 LYS 108 -0.533 26.415 -4.090 884 HD3 LYS 108 HD3 LYS 108 0.765 25.222 -4.079 885 HE2 LYS 108 HE2 LYS 108 2.285 26.826 -5.085 886 HE3 LYS 108 HE3 LYS 108 0.989 28.017 -5.186 887 HZ1 LYS 108 HZ1 LYS 108 0.899 28.187 -2.837 888 HZ2 LYS 108 HZ2 LYS 108 2.540 28.283 -3.257 889 HZ3 LYS 108 HZ3 LYS 108 1.911 26.843 -2.624 890 H LEU 109 H LEU 109 -0.689 25.990 -8.795 891 HA LEU 109 HA LEU 109 -1.438 27.963 -9.611 892 HB2 LEU 109 HB2 LEU 109 -2.813 26.488 -11.028 893 HB3 LEU 109 HB3 LEU 109 -4.085 26.521 -9.820 894 HG LEU 109 HG LEU 109 -4.279 28.985 -10.161 895 HD11 LEU 109 HD11 LEU 109 -2.061 29.450 -11.006 896 HD12 LEU 109 HD12 LEU 109 -3.273 29.954 -12.186 897 HD13 LEU 109 HD13 LEU 109 -2.369 28.459 -12.432 898 HD21 LEU 109 HD21 LEU 109 -5.434 28.831 -12.311 899 HD22 LEU 109 HD22 LEU 109 -5.801 27.454 -11.275 900 HD23 LEU 109 HD23 LEU 109 -4.665 27.273 -12.611 901 H GLU 110 H GLU 110 -1.084 29.023 -7.667 902 HA GLU 110 HA GLU 110 -3.267 29.205 -5.746 903 HB2 GLU 110 HB2 GLU 110 -0.821 28.867 -5.142 904 HB3 GLU 110 HB3 GLU 110 -0.562 30.533 -5.627 905 HG2 GLU 110 HG2 GLU 110 -2.064 31.308 -3.907 906 HG3 GLU 110 HG3 GLU 110 -2.448 29.646 -3.459 907 H HIS 111 H HIS 111 -2.563 30.662 -8.547 908 HA HIS 111 HA HIS 111 -2.968 33.419 -7.859 909 HB2 HIS 111 HB2 HIS 111 -2.989 31.988 -10.523 910 HB3 HIS 111 HB3 HIS 111 -3.183 33.727 -10.345 911 HD1 HIS 111 HD1 HIS 111 -1.088 35.041 -10.487 912 HD2 HIS 111 HD2 HIS 111 -0.369 31.080 -9.437 913 HE1 HIS 111 HE1 HIS 111 1.415 34.793 -10.427 914 HE2 HIS 111 HE2 HIS 111 1.823 32.431 -9.644 915 H HIS 112 H HIS 112 -4.896 33.638 -6.822 916 HA HIS 112 HA HIS 112 -7.221 33.600 -8.564 917 HB2 HIS 112 HB2 HIS 112 -7.087 31.361 -7.308 918 HB3 HIS 112 HB3 HIS 112 -7.466 32.288 -5.861 919 HD1 HIS 112 HD1 HIS 112 -9.881 32.209 -5.322 920 HD2 HIS 112 HD2 HIS 112 -9.208 32.007 -9.421 921 HE1 HIS 112 HE1 HIS 112 -12.154 31.995 -6.379 922 HE2 HIS 112 HE2 HIS 112 -11.697 31.644 -8.828 923 H HIS 113 H HIS 113 -5.323 35.194 -6.502 924 HA HIS 113 HA HIS 113 -7.505 37.014 -5.742 925 HB2 HIS 113 HB2 HIS 113 -5.198 36.150 -3.986 926 HB3 HIS 113 HB3 HIS 113 -6.195 37.558 -3.653 927 HD1 HIS 113 HD1 HIS 113 -5.824 34.464 -2.305 928 HD2 HIS 113 HD2 HIS 113 -9.158 36.370 -3.905 929 HE1 HIS 113 HE1 HIS 113 -7.816 33.332 -1.267 930 HE2 HIS 113 HE2 HIS 113 -9.818 34.599 -2.132 931 H HIS 114 H HIS 114 -6.742 39.229 -5.365 932 HA HIS 114 HA HIS 114 -4.177 39.849 -6.687 933 HB2 HIS 114 HB2 HIS 114 -6.772 41.396 -6.968 934 HB3 HIS 114 HB3 HIS 114 -5.220 41.886 -7.632 935 HD1 HIS 114 HD1 HIS 114 -8.195 39.857 -8.355 936 HD2 HIS 114 HD2 HIS 114 -4.300 40.179 -9.784 937 HE1 HIS 114 HE1 HIS 114 -8.189 38.699 -10.591 938 HE2 HIS 114 HE2 HIS 114 -5.877 39.086 -11.520 939 H HIS 115 H HIS 115 -3.072 41.693 -5.810 940 HA HIS 115 HA HIS 115 -3.979 42.338 -3.121 941 HB2 HIS 115 HB2 HIS 115 -1.783 43.618 -2.966 942 HB3 HIS 115 HB3 HIS 115 -1.687 41.871 -3.086 943 HD1 HIS 115 HD1 HIS 115 -0.204 40.952 -4.854 944 HD2 HIS 115 HD2 HIS 115 -1.087 44.971 -5.478 945 HE1 HIS 115 HE1 HIS 115 1.308 41.698 -6.721 946 HE2 HIS 115 HE2 HIS 115 0.653 44.091 -7.183 947 H HIS 116 H HIS 116 -5.794 43.503 -3.637 948 HA HIS 116 HA HIS 116 -5.372 46.080 -4.982 949 HB2 HIS 116 HB2 HIS 116 -7.167 44.549 -5.826 950 HB3 HIS 116 HB3 HIS 116 -7.981 44.719 -4.276 951 HD1 HIS 116 HD1 HIS 116 -9.494 46.710 -3.988 952 HD2 HIS 116 HD2 HIS 116 -7.071 46.990 -7.360 953 HE1 HIS 116 HE1 HIS 116 -10.329 48.710 -5.264 954 HE2 HIS 116 HE2 HIS 116 -9.010 48.702 -7.411 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -3.627 -7.734 12.134 2 H2 MET 1 H2 MET 1 -2.895 -6.982 13.466 3 H3 MET 1 H3 MET 1 -4.574 -7.239 13.445 4 HA MET 1 HA MET 1 -3.420 -8.810 14.879 5 HB2 MET 1 HB2 MET 1 -5.533 -9.479 13.876 6 HB3 MET 1 HB3 MET 1 -4.710 -9.987 12.407 7 HG2 MET 1 HG2 MET 1 -3.513 -11.706 13.708 8 HG3 MET 1 HG3 MET 1 -4.419 -11.221 15.138 9 HE1 MET 1 HE1 MET 1 -5.928 -14.729 14.186 10 HE2 MET 1 HE2 MET 1 -5.134 -13.784 15.446 11 HE3 MET 1 HE3 MET 1 -4.253 -14.215 13.980 12 H ALA 2 H ALA 2 -1.568 -9.795 15.259 13 HA ALA 2 HA ALA 2 0.251 -10.438 13.093 14 HB1 ALA 2 HB1 ALA 2 1.831 -11.021 14.852 15 HB2 ALA 2 HB2 ALA 2 0.564 -10.857 16.067 16 HB3 ALA 2 HB3 ALA 2 1.112 -9.441 15.170 17 H GLU 3 H GLU 3 0.903 -12.497 12.530 18 HA GLU 3 HA GLU 3 -1.062 -14.571 12.950 19 HB2 GLU 3 HB2 GLU 3 0.401 -13.883 10.819 20 HB3 GLU 3 HB3 GLU 3 1.509 -15.056 11.507 21 HG2 GLU 3 HG2 GLU 3 -1.365 -15.686 10.923 22 HG3 GLU 3 HG3 GLU 3 -0.080 -15.888 9.735 23 H LYS 4 H LYS 4 2.421 -15.013 12.869 24 HA LYS 4 HA LYS 4 2.951 -15.337 15.586 25 HB2 LYS 4 HB2 LYS 4 3.325 -17.789 15.716 26 HB3 LYS 4 HB3 LYS 4 1.625 -17.389 15.529 27 HG2 LYS 4 HG2 LYS 4 1.736 -17.958 13.168 28 HG3 LYS 4 HG3 LYS 4 3.455 -18.324 13.330 29 HD2 LYS 4 HD2 LYS 4 2.970 -20.132 14.850 30 HD3 LYS 4 HD3 LYS 4 1.252 -19.723 14.843 31 HE2 LYS 4 HE2 LYS 4 2.841 -20.607 12.433 32 HE3 LYS 4 HE3 LYS 4 1.791 -21.650 13.392 33 HZ1 LYS 4 HZ1 LYS 4 0.725 -20.787 11.361 34 HZ2 LYS 4 HZ2 LYS 4 0.880 -19.206 11.962 35 HZ3 LYS 4 HZ3 LYS 4 -0.096 -20.332 12.773 36 H ASN 5 H ASN 5 3.630 -16.571 12.375 37 HA ASN 5 HA ASN 5 6.416 -15.711 12.592 38 HB2 ASN 5 HB2 ASN 5 5.896 -17.880 11.453 39 HB3 ASN 5 HB3 ASN 5 4.906 -17.015 10.289 40 HD21 ASN 5 HD21 ASN 5 5.869 -15.948 8.617 41 HD22 ASN 5 HD22 ASN 5 7.565 -16.032 8.283 42 H ALA 6 H ALA 6 7.092 -14.309 10.566 43 HA ALA 6 HA ALA 6 5.852 -11.873 10.515 44 HB1 ALA 6 HB1 ALA 6 8.026 -12.305 9.474 45 HB2 ALA 6 HB2 ALA 6 6.940 -11.452 8.377 46 HB3 ALA 6 HB3 ALA 6 7.223 -13.180 8.168 47 H TYR 7 H TYR 7 3.944 -11.166 9.880 48 HA TYR 7 HA TYR 7 2.123 -12.991 8.606 49 HB2 TYR 7 HB2 TYR 7 0.505 -11.003 8.985 50 HB3 TYR 7 HB3 TYR 7 1.113 -11.883 10.382 51 HD1 TYR 7 HD2 TYR 7 1.413 -8.740 8.455 52 HD2 TYR 7 HD1 TYR 7 2.484 -10.820 12.007 53 HE1 TYR 7 HE2 TYR 7 2.236 -6.637 9.432 54 HE2 TYR 7 HE1 TYR 7 3.307 -8.726 12.997 55 HH TYR 7 HH TYR 7 2.638 -5.683 11.675 56 H THR 8 H THR 8 0.518 -11.978 6.997 57 HA THR 8 HA THR 8 2.116 -11.208 4.714 58 HB THR 8 HB THR 8 -0.076 -11.478 3.484 59 HG1 THR 8 HG1 THR 8 -1.712 -12.607 4.727 60 HG21 THR 8 HG21 THR 8 0.874 -13.821 5.136 61 HG22 THR 8 HG22 THR 8 1.581 -13.279 3.614 62 HG23 THR 8 HG23 THR 8 -0.062 -13.918 3.644 63 H VAL 9 H VAL 9 0.886 -9.674 3.116 64 HA VAL 9 HA VAL 9 1.009 -7.103 4.278 65 HB VAL 9 HB VAL 9 1.588 -7.569 1.924 66 HG11 VAL 9 HG11 VAL 9 -0.187 -7.769 0.239 67 HG12 VAL 9 HG12 VAL 9 -1.384 -7.874 1.530 68 HG13 VAL 9 HG13 VAL 9 -0.162 -9.134 1.354 69 HG21 VAL 9 HG21 VAL 9 -0.569 -5.492 2.308 70 HG22 VAL 9 HG22 VAL 9 0.556 -5.552 0.951 71 HG23 VAL 9 HG23 VAL 9 1.160 -5.280 2.585 72 H ALA 10 H ALA 10 -1.627 -9.325 3.792 73 HA ALA 10 HA ALA 10 -3.764 -7.473 4.018 74 HB1 ALA 10 HB1 ALA 10 -3.712 -10.379 4.836 75 HB2 ALA 10 HB2 ALA 10 -4.080 -9.777 3.220 76 HB3 ALA 10 HB3 ALA 10 -5.150 -9.395 4.568 77 H GLN 11 H GLN 11 -2.159 -9.548 6.414 78 HA GLN 11 HA GLN 11 -3.549 -8.530 8.651 79 HB2 GLN 11 HB2 GLN 11 -1.077 -10.156 8.248 80 HB3 GLN 11 HB3 GLN 11 -1.384 -9.471 9.836 81 HG2 GLN 11 HG2 GLN 11 -2.166 -11.818 9.517 82 HG3 GLN 11 HG3 GLN 11 -3.397 -10.690 10.076 83 HE21 GLN 11 HE21 GLN 11 -5.117 -10.205 8.775 84 HE22 GLN 11 HE22 GLN 11 -5.474 -11.084 7.324 85 H LEU 12 H LEU 12 -0.565 -7.598 7.045 86 HA LEU 12 HA LEU 12 0.342 -5.719 8.927 87 HB2 LEU 12 HB2 LEU 12 1.720 -6.541 7.074 88 HB3 LEU 12 HB3 LEU 12 0.669 -5.737 5.923 89 HG LEU 12 HG LEU 12 1.335 -3.550 6.889 90 HD11 LEU 12 HD11 LEU 12 1.921 -4.305 9.129 91 HD12 LEU 12 HD12 LEU 12 3.264 -3.442 8.378 92 HD13 LEU 12 HD13 LEU 12 3.291 -5.203 8.476 93 HD21 LEU 12 HD21 LEU 12 3.609 -5.289 5.941 94 HD22 LEU 12 HD22 LEU 12 3.586 -3.526 5.931 95 HD23 LEU 12 HD23 LEU 12 2.461 -4.428 4.916 96 H ALA 13 H ALA 13 -1.765 -5.352 6.091 97 HA ALA 13 HA ALA 13 -2.195 -2.572 6.414 98 HB1 ALA 13 HB1 ALA 13 -3.957 -4.590 5.026 99 HB2 ALA 13 HB2 ALA 13 -2.585 -3.757 4.297 100 HB3 ALA 13 HB3 ALA 13 -4.000 -2.840 4.814 101 H ASP 14 H ASP 14 -3.907 -5.435 7.556 102 HA ASP 14 HA ASP 14 -6.133 -4.156 8.702 103 HB2 ASP 14 HB2 ASP 14 -6.146 -6.543 8.411 104 HB3 ASP 14 HB3 ASP 14 -4.716 -6.728 9.420 105 H GLU 15 H GLU 15 -3.005 -5.069 10.103 106 HA GLU 15 HA GLU 15 -3.408 -4.038 12.682 107 HB2 GLU 15 HB2 GLU 15 -1.513 -5.522 11.865 108 HB3 GLU 15 HB3 GLU 15 -0.785 -4.079 11.176 109 HG2 GLU 15 HG2 GLU 15 0.276 -4.481 13.251 110 HG3 GLU 15 HG3 GLU 15 -0.779 -3.086 13.469 111 H TYR 16 H TYR 16 -2.062 -2.578 9.757 112 HA TYR 16 HA TYR 16 -1.415 -0.070 10.830 113 HB2 TYR 16 HB2 TYR 16 -0.593 -0.910 8.667 114 HB3 TYR 16 HB3 TYR 16 -2.216 -0.795 8.003 115 HD1 TYR 16 HD1 TYR 16 0.528 1.238 9.455 116 HD2 TYR 16 HD2 TYR 16 -2.944 1.193 7.003 117 HE1 TYR 16 HE1 TYR 16 1.008 3.539 8.744 118 HE2 TYR 16 HE2 TYR 16 -2.475 3.495 6.287 119 HH TYR 16 HH TYR 16 -1.256 5.458 7.096 120 H PHE 17 H PHE 17 -4.379 -1.250 9.302 121 HA PHE 17 HA PHE 17 -5.715 1.202 9.112 122 HB2 PHE 17 HB2 PHE 17 -6.423 -0.789 7.896 123 HB3 PHE 17 HB3 PHE 17 -6.846 -1.587 9.406 124 HD1 PHE 17 HD2 PHE 17 -7.701 1.324 7.265 125 HD2 PHE 17 HD1 PHE 17 -8.984 -1.363 10.306 126 HE1 PHE 17 HE2 PHE 17 -9.982 2.224 7.092 127 HE2 PHE 17 HE1 PHE 17 -11.268 -0.467 10.136 128 HZ PHE 17 HZ PHE 17 -11.770 1.328 8.530 129 H GLU 18 H GLU 18 -5.949 -1.295 11.649 130 HA GLU 18 HA GLU 18 -7.879 0.193 13.133 131 HB2 GLU 18 HB2 GLU 18 -6.178 -2.204 13.808 132 HB3 GLU 18 HB3 GLU 18 -7.346 -1.516 14.930 133 HG2 GLU 18 HG2 GLU 18 -8.056 -2.480 12.173 134 HG3 GLU 18 HG3 GLU 18 -8.152 -3.483 13.619 135 H ARG 19 H ARG 19 -4.438 0.325 13.012 136 HA ARG 19 HA ARG 19 -4.267 1.416 15.700 137 HB2 ARG 19 HB2 ARG 19 -2.251 0.551 13.672 138 HB3 ARG 19 HB3 ARG 19 -1.758 1.646 14.955 139 HG2 ARG 19 HG2 ARG 19 -1.328 -0.745 15.453 140 HG3 ARG 19 HG3 ARG 19 -2.363 0.047 16.641 141 HD2 ARG 19 HD2 ARG 19 -4.333 -0.903 15.490 142 HD3 ARG 19 HD3 ARG 19 -3.251 -1.748 14.390 143 HE ARG 19 HE ARG 19 -2.466 -3.046 16.294 144 HH11 ARG 19 HH11 ARG 19 -5.419 -1.213 16.685 145 HH12 ARG 19 HH12 ARG 19 -6.084 -2.258 17.902 146 HH21 ARG 19 HH21 ARG 19 -3.316 -4.433 17.921 147 HH22 ARG 19 HH22 ARG 19 -4.873 -4.086 18.609 148 H MET 20 H MET 20 -4.541 2.630 12.481 149 HA MET 20 HA MET 20 -3.954 5.317 13.554 150 HB2 MET 20 HB2 MET 20 -3.598 4.265 10.755 151 HB3 MET 20 HB3 MET 20 -3.605 5.983 11.129 152 HG2 MET 20 HG2 MET 20 -1.727 5.542 12.730 153 HG3 MET 20 HG3 MET 20 -1.654 3.905 12.079 154 HE1 MET 20 HE1 MET 20 0.820 5.937 12.136 155 HE2 MET 20 HE2 MET 20 1.509 5.645 10.539 156 HE3 MET 20 HE3 MET 20 0.919 4.293 11.506 157 H ILE 21 H ILE 21 -6.245 3.350 11.801 158 HA ILE 21 HA ILE 21 -8.017 5.665 11.508 159 HB ILE 21 HB ILE 21 -8.308 2.859 10.392 160 HG12 ILE 21 HG12 ILE 21 -8.140 4.193 8.191 161 HG13 ILE 21 HG13 ILE 21 -7.493 5.496 9.176 162 HG21 ILE 21 HG21 ILE 21 -10.206 3.735 9.120 163 HG22 ILE 21 HG22 ILE 21 -10.061 5.275 9.968 164 HG23 ILE 21 HG23 ILE 21 -10.494 3.816 10.858 165 HD11 ILE 21 HD11 ILE 21 -5.656 4.040 9.875 166 HD12 ILE 21 HD12 ILE 21 -5.718 4.240 8.123 167 HD13 ILE 21 HD13 ILE 21 -6.304 2.749 8.863 168 H ALA 22 H ALA 22 -7.706 5.311 14.004 169 HA ALA 22 HA ALA 22 -10.270 4.191 14.877 170 HB1 ALA 22 HB1 ALA 22 -9.277 3.427 16.956 171 HB2 ALA 22 HB2 ALA 22 -7.698 4.025 16.447 172 HB3 ALA 22 HB3 ALA 22 -8.453 2.683 15.585 173 H GLY 23 H GLY 23 -8.519 6.886 14.417 174 HA2 GLY 23 HA2 GLY 23 -9.439 8.226 16.876 175 HA3 GLY 23 HA3 GLY 23 -8.120 8.788 15.861 176 H ARG 24 H ARG 24 -8.553 10.320 14.383 177 HA ARG 24 HA ARG 24 -11.385 10.796 13.726 178 HB2 ARG 24 HB2 ARG 24 -10.116 12.600 15.025 179 HB3 ARG 24 HB3 ARG 24 -9.188 12.859 13.557 180 HG2 ARG 24 HG2 ARG 24 -12.184 13.016 13.556 181 HG3 ARG 24 HG3 ARG 24 -11.190 14.392 14.029 182 HD2 ARG 24 HD2 ARG 24 -10.164 14.482 11.872 183 HD3 ARG 24 HD3 ARG 24 -10.894 12.948 11.400 184 HE ARG 24 HE ARG 24 -12.861 14.903 12.082 185 HH11 ARG 24 HH11 ARG 24 -10.641 14.008 9.516 186 HH12 ARG 24 HH12 ARG 24 -11.688 14.577 8.247 187 HH21 ARG 24 HH21 ARG 24 -14.233 15.633 10.424 188 HH22 ARG 24 HH22 ARG 24 -13.739 15.481 8.764 189 H TRP 25 H TRP 25 -11.323 9.326 12.008 190 HA TRP 25 HA TRP 25 -9.716 10.198 9.717 191 HB2 TRP 25 HB2 TRP 25 -10.098 8.030 8.727 192 HB3 TRP 25 HB3 TRP 25 -9.532 7.792 10.371 193 HD1 TRP 25 HD1 TRP 25 -12.246 6.847 8.047 194 HE1 TRP 25 HE1 TRP 25 -14.049 5.470 9.259 195 HE3 TRP 25 HE3 TRP 25 -10.772 7.649 12.875 196 HZ2 TRP 25 HZ2 TRP 25 -14.749 4.800 11.909 197 HZ3 TRP 25 HZ3 TRP 25 -12.058 6.595 14.688 198 HH2 TRP 25 HH2 TRP 25 -14.004 5.202 14.215 199 H LYS 26 H LYS 26 -12.982 9.268 10.657 200 HA LYS 26 HA LYS 26 -15.038 9.933 10.032 201 HB2 LYS 26 HB2 LYS 26 -13.642 12.221 10.084 202 HB3 LYS 26 HB3 LYS 26 -14.095 12.203 8.386 203 HG2 LYS 26 HG2 LYS 26 -15.805 13.404 9.362 204 HG3 LYS 26 HG3 LYS 26 -16.485 11.781 9.253 205 HD2 LYS 26 HD2 LYS 26 -15.175 12.930 11.721 206 HD3 LYS 26 HD3 LYS 26 -16.912 12.910 11.432 207 HE2 LYS 26 HE2 LYS 26 -16.864 10.462 11.337 208 HE3 LYS 26 HE3 LYS 26 -15.126 10.487 11.624 209 HZ1 LYS 26 HZ1 LYS 26 -16.310 10.030 13.657 210 HZ2 LYS 26 HZ2 LYS 26 -17.228 11.448 13.491 211 HZ3 LYS 26 HZ3 LYS 26 -15.557 11.548 13.774 212 H HIS 27 H HIS 27 -16.295 8.989 8.623 213 HA HIS 27 HA HIS 27 -17.056 7.945 6.767 214 HB2 HIS 27 HB2 HIS 27 -16.842 10.298 5.844 215 HB3 HIS 27 HB3 HIS 27 -15.309 9.794 5.142 216 HD1 HIS 27 HD1 HIS 27 -16.577 10.435 2.852 217 HD2 HIS 27 HD2 HIS 27 -17.969 7.059 4.853 218 HE1 HIS 27 HE1 HIS 27 -17.926 9.146 1.163 219 HE2 HIS 27 HE2 HIS 27 -18.844 7.164 2.417 220 HA PRO 28 HA PRO 28 -13.344 5.315 7.177 221 HB2 PRO 28 HB2 PRO 28 -15.424 3.252 6.668 222 HB3 PRO 28 HB3 PRO 28 -14.195 3.329 7.935 223 HG2 PRO 28 HG2 PRO 28 -16.752 3.848 8.481 224 HG3 PRO 28 HG3 PRO 28 -15.445 4.773 9.242 225 HD2 PRO 28 HD2 PRO 28 -17.263 5.554 7.006 226 HD3 PRO 28 HD3 PRO 28 -16.626 6.536 8.342 227 H ASN 29 H ASN 29 -15.853 4.989 4.671 228 HA ASN 29 HA ASN 29 -14.569 3.191 3.004 229 HB2 ASN 29 HB2 ASN 29 -16.901 3.821 2.738 230 HB3 ASN 29 HB3 ASN 29 -16.433 5.464 2.315 231 HD21 ASN 29 HD21 ASN 29 -17.399 5.430 0.361 232 HD22 ASN 29 HD22 ASN 29 -16.797 4.503 -0.962 233 H ILE 30 H ILE 30 -14.081 6.639 3.354 234 HA ILE 30 HA ILE 30 -12.676 7.215 1.027 235 HB ILE 30 HB ILE 30 -12.352 8.342 3.811 236 HG12 ILE 30 HG12 ILE 30 -14.539 8.721 2.798 237 HG13 ILE 30 HG13 ILE 30 -13.639 10.231 2.898 238 HG21 ILE 30 HG21 ILE 30 -11.203 9.396 1.226 239 HG22 ILE 30 HG22 ILE 30 -10.288 8.709 2.569 240 HG23 ILE 30 HG23 ILE 30 -11.166 10.224 2.783 241 HD11 ILE 30 HD11 ILE 30 -13.975 8.540 0.429 242 HD12 ILE 30 HD12 ILE 30 -13.083 10.059 0.529 243 HD13 ILE 30 HD13 ILE 30 -14.828 10.042 0.788 244 H VAL 31 H VAL 31 -11.328 6.177 4.183 245 HA VAL 31 HA VAL 31 -8.743 5.731 2.975 246 HB VAL 31 HB VAL 31 -8.935 6.552 5.303 247 HG11 VAL 31 HG11 VAL 31 -10.855 5.295 6.045 248 HG12 VAL 31 HG12 VAL 31 -9.476 4.993 7.101 249 HG13 VAL 31 HG13 VAL 31 -9.952 3.787 5.906 250 HG21 VAL 31 HG21 VAL 31 -7.197 5.105 6.256 251 HG22 VAL 31 HG22 VAL 31 -6.877 5.503 4.568 252 HG23 VAL 31 HG23 VAL 31 -7.509 3.912 4.995 253 H ARG 32 H ARG 32 -11.566 3.847 3.750 254 HA ARG 32 HA ARG 32 -10.451 1.271 3.748 255 HB2 ARG 32 HB2 ARG 32 -13.195 2.280 3.032 256 HB3 ARG 32 HB3 ARG 32 -12.786 0.574 2.925 257 HG2 ARG 32 HG2 ARG 32 -12.579 2.245 5.422 258 HG3 ARG 32 HG3 ARG 32 -13.919 1.167 5.023 259 HD2 ARG 32 HD2 ARG 32 -11.049 0.291 5.281 260 HD3 ARG 32 HD3 ARG 32 -12.234 0.184 6.576 261 HE ARG 32 HE ARG 32 -12.741 -1.174 4.018 262 HH11 ARG 32 HH11 ARG 32 -12.207 -1.275 7.471 263 HH12 ARG 32 HH12 ARG 32 -12.578 -2.964 7.628 264 HH21 ARG 32 HH21 ARG 32 -13.238 -3.407 4.192 265 HH22 ARG 32 HH22 ARG 32 -13.192 -4.177 5.757 266 H SER 33 H SER 33 -11.806 3.180 1.071 267 HA SER 33 HA SER 33 -11.606 1.333 -0.965 268 HB2 SER 33 HB2 SER 33 -12.684 3.494 -1.289 269 HB3 SER 33 HB3 SER 33 -11.149 4.331 -1.072 270 HG SER 33 HG SER 33 -10.593 3.865 -3.059 271 H ARG 34 H ARG 34 -9.108 3.503 0.271 272 HA ARG 34 HA ARG 34 -7.069 2.906 -1.519 273 HB2 ARG 34 HB2 ARG 34 -6.978 3.633 1.406 274 HB3 ARG 34 HB3 ARG 34 -5.548 3.538 0.389 275 HG2 ARG 34 HG2 ARG 34 -6.268 5.335 -0.956 276 HG3 ARG 34 HG3 ARG 34 -7.886 5.303 -0.252 277 HD2 ARG 34 HD2 ARG 34 -7.109 6.136 1.812 278 HD3 ARG 34 HD3 ARG 34 -5.426 5.839 1.381 279 HE ARG 34 HE ARG 34 -5.748 7.619 -0.354 280 HH11 ARG 34 HH11 ARG 34 -7.745 7.553 2.529 281 HH12 ARG 34 HH12 ARG 34 -7.978 9.276 2.562 282 HH21 ARG 34 HH21 ARG 34 -6.057 9.852 -0.323 283 HH22 ARG 34 HH22 ARG 34 -7.027 10.584 0.925 284 H ILE 35 H ILE 35 -7.812 1.356 1.599 285 HA ILE 35 HA ILE 35 -5.623 -0.460 1.360 286 HB ILE 35 HB ILE 35 -7.967 -0.475 3.260 287 HG12 ILE 35 HG12 ILE 35 -5.117 0.502 3.555 288 HG13 ILE 35 HG13 ILE 35 -6.553 1.513 3.451 289 HG21 ILE 35 HG21 ILE 35 -6.601 -1.987 4.632 290 HG22 ILE 35 HG22 ILE 35 -5.397 -2.052 3.345 291 HG23 ILE 35 HG23 ILE 35 -7.015 -2.702 3.074 292 HD11 ILE 35 HD11 ILE 35 -7.349 0.633 5.566 293 HD12 ILE 35 HD12 ILE 35 -5.732 1.319 5.739 294 HD13 ILE 35 HD13 ILE 35 -5.947 -0.431 5.665 295 H GLU 36 H GLU 36 -9.093 -0.690 0.741 296 HA GLU 36 HA GLU 36 -8.973 -3.560 0.429 297 HB2 GLU 36 HB2 GLU 36 -11.266 -1.712 -0.236 298 HB3 GLU 36 HB3 GLU 36 -11.346 -3.448 0.022 299 HG2 GLU 36 HG2 GLU 36 -10.551 -3.014 2.372 300 HG3 GLU 36 HG3 GLU 36 -10.802 -1.306 2.053 301 H LYS 37 H LYS 37 -8.746 -0.797 -1.655 302 HA LYS 37 HA LYS 37 -9.060 -2.551 -3.993 303 HB2 LYS 37 HB2 LYS 37 -10.692 -0.861 -4.101 304 HB3 LYS 37 HB3 LYS 37 -9.556 0.389 -3.622 305 HG2 LYS 37 HG2 LYS 37 -8.920 -1.007 -6.133 306 HG3 LYS 37 HG3 LYS 37 -10.381 -0.014 -6.147 307 HD2 LYS 37 HD2 LYS 37 -9.101 1.892 -5.324 308 HD3 LYS 37 HD3 LYS 37 -7.643 0.904 -5.281 309 HE2 LYS 37 HE2 LYS 37 -7.727 0.630 -7.685 310 HE3 LYS 37 HE3 LYS 37 -9.240 1.532 -7.754 311 HZ1 LYS 37 HZ1 LYS 37 -8.061 3.468 -6.865 312 HZ2 LYS 37 HZ2 LYS 37 -7.384 2.950 -8.325 313 HZ3 LYS 37 HZ3 LYS 37 -6.605 2.595 -6.859 314 H ASP 38 H ASP 38 -7.071 0.220 -2.871 315 HA ASP 38 HA ASP 38 -5.199 -0.183 -5.027 316 HB2 ASP 38 HB2 ASP 38 -5.175 1.685 -2.655 317 HB3 ASP 38 HB3 ASP 38 -3.878 1.622 -3.841 318 H ILE 39 H ILE 39 -5.068 -0.515 -1.491 319 HA ILE 39 HA ILE 39 -2.413 -1.559 -1.479 320 HB ILE 39 HB ILE 39 -4.499 -1.889 0.688 321 HG12 ILE 39 HG12 ILE 39 -4.258 0.485 0.083 322 HG13 ILE 39 HG13 ILE 39 -3.606 0.162 1.684 323 HG21 ILE 39 HG21 ILE 39 -1.483 -1.913 0.796 324 HG22 ILE 39 HG22 ILE 39 -2.547 -3.310 0.970 325 HG23 ILE 39 HG23 ILE 39 -2.562 -2.034 2.186 326 HD11 ILE 39 HD11 ILE 39 -1.347 0.158 0.752 327 HD12 ILE 39 HD12 ILE 39 -2.185 1.683 0.462 328 HD13 ILE 39 HD13 ILE 39 -2.014 0.509 -0.842 329 H LYS 40 H LYS 40 -5.602 -2.963 -1.716 330 HA LYS 40 HA LYS 40 -4.350 -5.609 -2.010 331 HB2 LYS 40 HB2 LYS 40 -6.461 -4.772 -0.268 332 HB3 LYS 40 HB3 LYS 40 -7.103 -5.926 -1.428 333 HG2 LYS 40 HG2 LYS 40 -6.302 -7.553 -0.168 334 HG3 LYS 40 HG3 LYS 40 -4.673 -7.003 -0.556 335 HD2 LYS 40 HD2 LYS 40 -6.339 -5.949 1.726 336 HD3 LYS 40 HD3 LYS 40 -5.106 -7.197 1.878 337 HE2 LYS 40 HE2 LYS 40 -4.656 -4.376 0.926 338 HE3 LYS 40 HE3 LYS 40 -4.242 -5.008 2.519 339 HZ1 LYS 40 HZ1 LYS 40 -2.317 -4.951 1.067 340 HZ2 LYS 40 HZ2 LYS 40 -3.097 -5.936 -0.064 341 HZ3 LYS 40 HZ3 LYS 40 -2.702 -6.549 1.462 342 HA PRO 41 HA PRO 41 -6.644 -4.910 -5.954 343 HB2 PRO 41 HB2 PRO 41 -4.212 -5.231 -7.428 344 HB3 PRO 41 HB3 PRO 41 -5.201 -3.779 -7.283 345 HG2 PRO 41 HG2 PRO 41 -2.650 -4.070 -6.253 346 HG3 PRO 41 HG3 PRO 41 -3.837 -2.873 -5.708 347 HD2 PRO 41 HD2 PRO 41 -3.080 -5.493 -4.485 348 HD3 PRO 41 HD3 PRO 41 -3.512 -3.959 -3.698 349 H ALA 42 H ALA 42 -3.659 -6.845 -5.793 350 HA ALA 42 HA ALA 42 -5.228 -9.295 -6.050 351 HB1 ALA 42 HB1 ALA 42 -2.899 -8.609 -7.842 352 HB2 ALA 42 HB2 ALA 42 -4.589 -8.716 -8.334 353 HB3 ALA 42 HB3 ALA 42 -3.735 -10.161 -7.793 354 H ILE 43 H ILE 43 -3.433 -7.717 -4.143 355 HA ILE 43 HA ILE 43 -1.693 -9.955 -3.377 356 HB ILE 43 HB ILE 43 -0.102 -8.173 -2.465 357 HG12 ILE 43 HG12 ILE 43 -1.421 -6.453 -4.566 358 HG13 ILE 43 HG13 ILE 43 -1.788 -6.299 -2.853 359 HG21 ILE 43 HG21 ILE 43 1.045 -7.965 -4.631 360 HG22 ILE 43 HG22 ILE 43 -0.419 -8.514 -5.446 361 HG23 ILE 43 HG23 ILE 43 0.442 -9.599 -4.355 362 HD11 ILE 43 HD11 ILE 43 0.914 -5.917 -4.125 363 HD12 ILE 43 HD12 ILE 43 0.546 -5.735 -2.410 364 HD13 ILE 43 HD13 ILE 43 -0.170 -4.634 -3.587 365 H GLY 44 H GLY 44 -3.286 -10.620 -1.935 366 HA2 GLY 44 HA2 GLY 44 -3.563 -8.881 0.440 367 HA3 GLY 44 HA3 GLY 44 -4.798 -10.024 -0.081 368 H SER 45 H SER 45 -3.536 -12.289 -0.571 369 HA SER 45 HA SER 45 -2.728 -13.160 2.055 370 HB2 SER 45 HB2 SER 45 -2.623 -15.412 0.899 371 HB3 SER 45 HB3 SER 45 -4.193 -14.609 0.843 372 HG SER 45 HG SER 45 -2.485 -15.284 -1.193 373 H LEU 46 H LEU 46 -1.085 -11.583 -0.175 374 HA LEU 46 HA LEU 46 1.268 -13.193 -0.461 375 HB2 LEU 46 HB2 LEU 46 0.481 -11.492 -2.123 376 HB3 LEU 46 HB3 LEU 46 0.923 -10.239 -0.979 377 HG LEU 46 HG LEU 46 3.269 -11.104 -1.057 378 HD11 LEU 46 HD11 LEU 46 2.208 -12.694 -3.385 379 HD12 LEU 46 HD12 LEU 46 2.779 -13.354 -1.852 380 HD13 LEU 46 HD13 LEU 46 3.905 -12.529 -2.931 381 HD21 LEU 46 HD21 LEU 46 2.574 -9.136 -2.320 382 HD22 LEU 46 HD22 LEU 46 2.103 -10.169 -3.671 383 HD23 LEU 46 HD23 LEU 46 3.797 -10.062 -3.190 384 H LYS 47 H LYS 47 2.986 -13.273 0.829 385 HA LYS 47 HA LYS 47 3.020 -12.096 3.382 386 HB2 LYS 47 HB2 LYS 47 4.123 -14.242 2.672 387 HB3 LYS 47 HB3 LYS 47 5.343 -13.278 1.853 388 HG2 LYS 47 HG2 LYS 47 6.181 -14.005 3.975 389 HG3 LYS 47 HG3 LYS 47 5.940 -12.255 4.009 390 HD2 LYS 47 HD2 LYS 47 5.121 -13.183 6.058 391 HD3 LYS 47 HD3 LYS 47 3.752 -12.628 5.106 392 HE2 LYS 47 HE2 LYS 47 3.278 -14.785 6.127 393 HE3 LYS 47 HE3 LYS 47 3.331 -14.920 4.372 394 HZ1 LYS 47 HZ1 LYS 47 5.830 -15.438 5.774 395 HZ2 LYS 47 HZ2 LYS 47 5.148 -16.230 4.437 396 HZ3 LYS 47 HZ3 LYS 47 4.598 -16.577 6.003 397 H VAL 48 H VAL 48 4.384 -10.482 4.249 398 HA VAL 48 HA VAL 48 4.874 -8.219 2.639 399 HB VAL 48 HB VAL 48 6.071 -8.858 5.343 400 HG11 VAL 48 HG11 VAL 48 7.211 -7.013 4.219 401 HG12 VAL 48 HG12 VAL 48 6.281 -6.433 5.602 402 HG13 VAL 48 HG13 VAL 48 5.666 -6.204 3.964 403 HG21 VAL 48 HG21 VAL 48 3.658 -9.010 5.431 404 HG22 VAL 48 HG22 VAL 48 3.506 -7.444 4.633 405 HG23 VAL 48 HG23 VAL 48 4.197 -7.544 6.252 406 H GLU 49 H GLU 49 6.780 -11.009 3.381 407 HA GLU 49 HA GLU 49 9.258 -9.818 2.468 408 HB2 GLU 49 HB2 GLU 49 8.621 -12.680 3.217 409 HB3 GLU 49 HB3 GLU 49 10.229 -12.042 2.894 410 HG2 GLU 49 HG2 GLU 49 10.032 -10.546 4.801 411 HG3 GLU 49 HG3 GLU 49 8.408 -11.153 5.118 412 H ASP 50 H ASP 50 6.586 -10.831 0.905 413 HA ASP 50 HA ASP 50 8.082 -11.967 -1.364 414 HB2 ASP 50 HB2 ASP 50 5.231 -12.271 -0.478 415 HB3 ASP 50 HB3 ASP 50 5.676 -12.563 -2.155 416 H VAL 51 H VAL 51 6.422 -9.204 -0.290 417 HA VAL 51 HA VAL 51 5.645 -8.371 -2.949 418 HB VAL 51 HB VAL 51 4.095 -7.812 -1.211 419 HG11 VAL 51 HG11 VAL 51 6.324 -6.276 0.110 420 HG12 VAL 51 HG12 VAL 51 5.564 -7.752 0.707 421 HG13 VAL 51 HG13 VAL 51 4.633 -6.257 0.608 422 HG21 VAL 51 HG21 VAL 51 4.296 -6.223 -3.053 423 HG22 VAL 51 HG22 VAL 51 5.503 -5.313 -2.144 424 HG23 VAL 51 HG23 VAL 51 3.844 -5.412 -1.554 425 H LYS 52 H LYS 52 7.524 -8.187 -4.042 426 HA LYS 52 HA LYS 52 9.636 -6.435 -3.151 427 HB2 LYS 52 HB2 LYS 52 9.193 -7.784 -5.822 428 HB3 LYS 52 HB3 LYS 52 10.674 -6.990 -5.308 429 HG2 LYS 52 HG2 LYS 52 11.011 -8.632 -3.577 430 HG3 LYS 52 HG3 LYS 52 9.462 -9.388 -3.953 431 HD2 LYS 52 HD2 LYS 52 11.267 -10.677 -4.925 432 HD3 LYS 52 HD3 LYS 52 10.303 -9.938 -6.203 433 HE2 LYS 52 HE2 LYS 52 11.964 -8.215 -6.515 434 HE3 LYS 52 HE3 LYS 52 12.894 -8.816 -5.143 435 HZ1 LYS 52 HZ1 LYS 52 12.372 -10.310 -7.662 436 HZ2 LYS 52 HZ2 LYS 52 13.285 -10.871 -6.346 437 HZ3 LYS 52 HZ3 LYS 52 13.833 -9.548 -7.254 438 HA PRO 53 HA PRO 53 8.582 -2.496 -4.731 439 HB2 PRO 53 HB2 PRO 53 10.761 -2.746 -6.758 440 HB3 PRO 53 HB3 PRO 53 10.409 -1.423 -5.637 441 HG2 PRO 53 HG2 PRO 53 12.386 -3.114 -5.121 442 HG3 PRO 53 HG3 PRO 53 11.323 -2.550 -3.818 443 HD2 PRO 53 HD2 PRO 53 11.390 -5.188 -5.201 444 HD3 PRO 53 HD3 PRO 53 11.013 -4.809 -3.509 445 H ARG 54 H ARG 54 9.283 -4.784 -7.381 446 HA ARG 54 HA ARG 54 8.011 -3.273 -9.391 447 HB2 ARG 54 HB2 ARG 54 9.617 -5.148 -9.787 448 HB3 ARG 54 HB3 ARG 54 8.337 -6.274 -9.346 449 HG2 ARG 54 HG2 ARG 54 6.968 -5.415 -11.189 450 HG3 ARG 54 HG3 ARG 54 8.286 -4.336 -11.645 451 HD2 ARG 54 HD2 ARG 54 9.718 -6.416 -11.835 452 HD3 ARG 54 HD3 ARG 54 8.215 -7.335 -11.731 453 HE ARG 54 HE ARG 54 8.482 -5.253 -13.780 454 HH11 ARG 54 HH11 ARG 54 8.171 -8.635 -12.932 455 HH12 ARG 54 HH12 ARG 54 7.847 -9.147 -14.560 456 HH21 ARG 54 HH21 ARG 54 8.067 -5.900 -15.919 457 HH22 ARG 54 HH22 ARG 54 7.798 -7.589 -16.276 458 H HIS 55 H HIS 55 6.815 -5.681 -7.157 459 HA HIS 55 HA HIS 55 4.277 -6.196 -8.117 460 HB2 HIS 55 HB2 HIS 55 5.409 -5.940 -5.354 461 HB3 HIS 55 HB3 HIS 55 3.676 -6.154 -5.557 462 HD1 HIS 55 HD1 HIS 55 6.925 -7.939 -6.438 463 HD2 HIS 55 HD2 HIS 55 2.881 -8.690 -5.907 464 HE1 HIS 55 HE1 HIS 55 6.701 -10.444 -6.458 465 HE2 HIS 55 HE2 HIS 55 4.268 -10.889 -5.993 466 H ILE 56 H ILE 56 5.337 -3.545 -6.078 467 HA ILE 56 HA ILE 56 2.805 -2.257 -5.952 468 HB ILE 56 HB ILE 56 5.528 -1.063 -5.393 469 HG12 ILE 56 HG12 ILE 56 5.198 -3.057 -4.035 470 HG13 ILE 56 HG13 ILE 56 5.061 -1.620 -3.028 471 HG21 ILE 56 HG21 ILE 56 2.777 -0.231 -4.490 472 HG22 ILE 56 HG22 ILE 56 3.794 0.616 -5.656 473 HG23 ILE 56 HG23 ILE 56 4.293 0.502 -3.967 474 HD11 ILE 56 HD11 ILE 56 3.378 -3.275 -2.449 475 HD12 ILE 56 HD12 ILE 56 2.765 -3.247 -4.102 476 HD13 ILE 56 HD13 ILE 56 2.628 -1.812 -3.087 477 H ASP 57 H ASP 57 5.647 -1.829 -8.077 478 HA ASP 57 HA ASP 57 4.683 0.615 -9.151 479 HB2 ASP 57 HB2 ASP 57 6.460 0.628 -10.596 480 HB3 ASP 57 HB3 ASP 57 7.090 -0.411 -9.335 481 H ASP 58 H ASP 58 4.257 -2.737 -10.033 482 HA ASP 58 HA ASP 58 2.975 -2.318 -12.501 483 HB2 ASP 58 HB2 ASP 58 3.873 -4.513 -11.608 484 HB3 ASP 58 HB3 ASP 58 2.415 -4.615 -10.625 485 H VAL 59 H VAL 59 1.726 -2.365 -9.196 486 HA VAL 59 HA VAL 59 -1.003 -2.234 -10.119 487 HB VAL 59 HB VAL 59 -1.642 -1.986 -7.767 488 HG11 VAL 59 HG11 VAL 59 -0.874 -4.165 -6.994 489 HG12 VAL 59 HG12 VAL 59 0.386 -4.160 -8.229 490 HG13 VAL 59 HG13 VAL 59 -1.311 -4.203 -8.702 491 HG21 VAL 59 HG21 VAL 59 -0.008 -2.076 -5.978 492 HG22 VAL 59 HG22 VAL 59 0.253 -0.650 -6.983 493 HG23 VAL 59 HG23 VAL 59 1.305 -2.053 -7.154 494 H LEU 60 H LEU 60 1.436 0.050 -9.011 495 HA LEU 60 HA LEU 60 -0.375 2.236 -8.735 496 HB2 LEU 60 HB2 LEU 60 2.624 2.175 -9.046 497 HB3 LEU 60 HB3 LEU 60 1.706 3.643 -8.773 498 HG LEU 60 HG LEU 60 1.991 1.307 -6.885 499 HD11 LEU 60 HD11 LEU 60 3.033 2.975 -5.429 500 HD12 LEU 60 HD12 LEU 60 2.863 4.186 -6.700 501 HD13 LEU 60 HD13 LEU 60 3.912 2.790 -6.947 502 HD21 LEU 60 HD21 LEU 60 -0.292 2.185 -6.799 503 HD22 LEU 60 HD22 LEU 60 0.344 3.812 -6.554 504 HD23 LEU 60 HD23 LEU 60 0.605 2.569 -5.330 505 H LYS 61 H LYS 61 1.722 1.127 -11.392 506 HA LYS 61 HA LYS 61 1.235 3.343 -13.058 507 HB2 LYS 61 HB2 LYS 61 1.933 1.886 -14.943 508 HB3 LYS 61 HB3 LYS 61 3.059 1.883 -13.600 509 HG2 LYS 61 HG2 LYS 61 3.034 -0.328 -14.054 510 HG3 LYS 61 HG3 LYS 61 1.677 -0.274 -12.932 511 HD2 LYS 61 HD2 LYS 61 0.109 -0.217 -14.779 512 HD3 LYS 61 HD3 LYS 61 1.440 -0.146 -15.938 513 HE2 LYS 61 HE2 LYS 61 2.211 -2.338 -15.193 514 HE3 LYS 61 HE3 LYS 61 0.895 -2.407 -14.022 515 HZ1 LYS 61 HZ1 LYS 61 0.671 -2.423 -16.981 516 HZ2 LYS 61 HZ2 LYS 61 -0.659 -2.246 -15.942 517 HZ3 LYS 61 HZ3 LYS 61 0.259 -3.670 -15.904 518 H ALA 62 H ALA 62 -0.632 0.494 -12.377 519 HA ALA 62 HA ALA 62 -2.520 0.861 -14.486 520 HB1 ALA 62 HB1 ALA 62 -2.814 -0.649 -11.887 521 HB2 ALA 62 HB2 ALA 62 -2.190 -1.309 -13.398 522 HB3 ALA 62 HB3 ALA 62 -3.870 -0.785 -13.294 523 H VAL 63 H VAL 63 -2.512 1.711 -11.008 524 HA VAL 63 HA VAL 63 -5.140 2.759 -11.037 525 HB VAL 63 HB VAL 63 -4.658 3.755 -8.869 526 HG11 VAL 63 HG11 VAL 63 -5.212 1.398 -8.970 527 HG12 VAL 63 HG12 VAL 63 -4.079 1.717 -7.657 528 HG13 VAL 63 HG13 VAL 63 -3.506 0.990 -9.158 529 HG21 VAL 63 HG21 VAL 63 -1.804 2.911 -9.334 530 HG22 VAL 63 HG22 VAL 63 -2.459 3.563 -7.831 531 HG23 VAL 63 HG23 VAL 63 -2.404 4.569 -9.279 532 H MET 64 H MET 64 -2.139 4.089 -12.064 533 HA MET 64 HA MET 64 -2.966 6.831 -11.929 534 HB2 MET 64 HB2 MET 64 -0.730 5.514 -13.477 535 HB3 MET 64 HB3 MET 64 -1.003 7.251 -13.421 536 HG2 MET 64 HG2 MET 64 -0.765 7.103 -10.930 537 HG3 MET 64 HG3 MET 64 -0.240 5.436 -11.154 538 HE1 MET 64 HE1 MET 64 3.024 5.937 -13.296 539 HE2 MET 64 HE2 MET 64 1.390 5.669 -13.898 540 HE3 MET 64 HE3 MET 64 1.979 4.755 -12.508 541 H LYS 65 H LYS 65 -2.960 4.324 -14.425 542 HA LYS 65 HA LYS 65 -3.875 6.154 -16.449 543 HB2 LYS 65 HB2 LYS 65 -3.992 4.179 -17.899 544 HB3 LYS 65 HB3 LYS 65 -2.453 4.313 -17.083 545 HG2 LYS 65 HG2 LYS 65 -2.872 2.064 -16.961 546 HG3 LYS 65 HG3 LYS 65 -3.469 2.635 -15.404 547 HD2 LYS 65 HD2 LYS 65 -5.001 1.028 -16.478 548 HD3 LYS 65 HD3 LYS 65 -5.746 2.605 -16.224 549 HE2 LYS 65 HE2 LYS 65 -5.338 3.177 -18.571 550 HE3 LYS 65 HE3 LYS 65 -4.582 1.602 -18.824 551 HZ1 LYS 65 HZ1 LYS 65 -7.388 1.960 -17.916 552 HZ2 LYS 65 HZ2 LYS 65 -6.641 0.516 -18.402 553 HZ3 LYS 65 HZ3 LYS 65 -6.947 1.737 -19.537 554 H ARG 66 H ARG 66 -5.292 3.830 -14.310 555 HA ARG 66 HA ARG 66 -7.893 3.954 -15.542 556 HB2 ARG 66 HB2 ARG 66 -8.635 2.503 -13.771 557 HB3 ARG 66 HB3 ARG 66 -7.065 1.942 -14.327 558 HG2 ARG 66 HG2 ARG 66 -6.444 1.925 -12.200 559 HG3 ARG 66 HG3 ARG 66 -6.464 3.688 -12.267 560 HD2 ARG 66 HD2 ARG 66 -7.796 3.142 -10.420 561 HD3 ARG 66 HD3 ARG 66 -8.939 3.520 -11.708 562 HE ARG 66 HE ARG 66 -8.233 0.712 -11.347 563 HH11 ARG 66 HH11 ARG 66 -10.556 3.293 -10.856 564 HH12 ARG 66 HH12 ARG 66 -11.853 2.217 -10.420 565 HH21 ARG 66 HH21 ARG 66 -9.935 -0.698 -10.774 566 HH22 ARG 66 HH22 ARG 66 -11.507 -0.055 -10.403 567 H GLY 67 H GLY 67 -6.225 6.115 -13.662 568 HA2 GLY 67 HA2 GLY 67 -8.637 7.584 -13.064 569 HA3 GLY 67 HA3 GLY 67 -7.792 7.001 -11.640 570 H ALA 68 H ALA 68 -5.570 7.696 -11.329 571 HA ALA 68 HA ALA 68 -4.548 9.943 -12.784 572 HB1 ALA 68 HB1 ALA 68 -6.350 11.079 -11.589 573 HB2 ALA 68 HB2 ALA 68 -4.778 11.598 -10.982 574 HB3 ALA 68 HB3 ALA 68 -5.746 10.451 -10.056 575 HA PRO 69 HA PRO 69 -0.830 8.574 -10.865 576 HB2 PRO 69 HB2 PRO 69 0.149 11.342 -11.015 577 HB3 PRO 69 HB3 PRO 69 0.732 9.895 -11.833 578 HG2 PRO 69 HG2 PRO 69 -0.556 11.859 -13.150 579 HG3 PRO 69 HG3 PRO 69 -0.683 10.153 -13.618 580 HD2 PRO 69 HD2 PRO 69 -2.606 11.853 -12.094 581 HD3 PRO 69 HD3 PRO 69 -2.924 10.617 -13.329 582 H SER 70 H SER 70 -2.666 11.254 -9.707 583 HA SER 70 HA SER 70 -1.451 11.813 -7.271 584 HB2 SER 70 HB2 SER 70 -4.424 11.692 -7.390 585 HB3 SER 70 HB3 SER 70 -3.371 12.997 -6.834 586 HG SER 70 HG SER 70 -3.602 13.859 -8.732 587 H ILE 71 H ILE 71 -3.629 9.215 -8.234 588 HA ILE 71 HA ILE 71 -4.217 8.213 -5.666 589 HB ILE 71 HB ILE 71 -4.130 6.687 -8.275 590 HG12 ILE 71 HG12 ILE 71 -6.437 8.124 -6.943 591 HG13 ILE 71 HG13 ILE 71 -5.577 8.688 -8.373 592 HG21 ILE 71 HG21 ILE 71 -5.735 5.183 -7.186 593 HG22 ILE 71 HG22 ILE 71 -5.561 6.094 -5.686 594 HG23 ILE 71 HG23 ILE 71 -4.184 5.212 -6.348 595 HD11 ILE 71 HD11 ILE 71 -6.330 6.710 -9.596 596 HD12 ILE 71 HD12 ILE 71 -7.683 7.655 -8.974 597 HD13 ILE 71 HD13 ILE 71 -7.203 6.162 -8.164 598 H ALA 72 H ALA 72 -1.607 7.525 -7.945 599 HA ALA 72 HA ALA 72 -0.488 5.324 -6.604 600 HB1 ALA 72 HB1 ALA 72 0.096 5.935 -8.905 601 HB2 ALA 72 HB2 ALA 72 1.530 5.781 -7.891 602 HB3 ALA 72 HB3 ALA 72 0.915 7.379 -8.312 603 H ASN 73 H ASN 73 0.340 8.777 -6.463 604 HA ASN 73 HA ASN 73 2.294 8.532 -4.439 605 HB2 ASN 73 HB2 ASN 73 0.612 10.904 -5.274 606 HB3 ASN 73 HB3 ASN 73 1.941 10.999 -4.126 607 HD21 ASN 73 HD21 ASN 73 1.050 10.591 -7.453 608 HD22 ASN 73 HD22 ASN 73 2.635 10.783 -8.106 609 H ASP 74 H ASP 74 -1.159 9.180 -4.366 610 HA ASP 74 HA ASP 74 -1.447 9.684 -1.621 611 HB2 ASP 74 HB2 ASP 74 -3.220 10.172 -3.213 612 HB3 ASP 74 HB3 ASP 74 -3.394 8.463 -3.591 613 H THR 75 H THR 75 -1.595 6.647 -3.439 614 HA THR 75 HA THR 75 -2.130 4.996 -1.206 615 HB THR 75 HB THR 75 -0.786 4.280 -3.820 616 HG1 THR 75 HG1 THR 75 -2.836 5.114 -4.211 617 HG21 THR 75 HG21 THR 75 -0.470 2.568 -2.095 618 HG22 THR 75 HG22 THR 75 -1.565 2.007 -3.358 619 HG23 THR 75 HG23 THR 75 -2.208 2.539 -1.804 620 H LEU 76 H LEU 76 0.856 5.989 -2.824 621 HA LEU 76 HA LEU 76 2.648 4.412 -1.334 622 HB2 LEU 76 HB2 LEU 76 3.085 5.663 -3.489 623 HB3 LEU 76 HB3 LEU 76 3.207 7.125 -2.534 624 HG LEU 76 HG LEU 76 4.988 4.804 -1.891 625 HD11 LEU 76 HD11 LEU 76 6.651 5.715 -3.464 626 HD12 LEU 76 HD12 LEU 76 5.424 6.813 -4.096 627 HD13 LEU 76 HD13 LEU 76 5.229 5.072 -4.285 628 HD21 LEU 76 HD21 LEU 76 6.512 6.589 -1.211 629 HD22 LEU 76 HD22 LEU 76 4.960 6.732 -0.385 630 HD23 LEU 76 HD23 LEU 76 5.341 7.798 -1.738 631 H ARG 77 H ARG 77 1.135 7.485 -0.714 632 HA ARG 77 HA ARG 77 2.587 8.489 1.410 633 HB2 ARG 77 HB2 ARG 77 0.612 9.523 0.234 634 HB3 ARG 77 HB3 ARG 77 -0.426 8.478 1.188 635 HG2 ARG 77 HG2 ARG 77 0.424 9.546 3.237 636 HG3 ARG 77 HG3 ARG 77 1.389 10.639 2.236 637 HD2 ARG 77 HD2 ARG 77 -0.796 11.234 1.072 638 HD3 ARG 77 HD3 ARG 77 -1.604 10.408 2.400 639 HE ARG 77 HE ARG 77 0.072 12.213 3.613 640 HH11 ARG 77 HH11 ARG 77 -2.554 12.353 1.302 641 HH12 ARG 77 HH12 ARG 77 -3.011 13.981 1.710 642 HH21 ARG 77 HH21 ARG 77 -0.542 14.364 4.176 643 HH22 ARG 77 HH22 ARG 77 -1.864 15.114 3.332 644 H TRP 78 H TRP 78 -0.114 6.176 1.511 645 HA TRP 78 HA TRP 78 0.142 5.728 4.330 646 HB2 TRP 78 HB2 TRP 78 -1.376 4.164 2.231 647 HB3 TRP 78 HB3 TRP 78 -1.533 3.946 3.970 648 HD1 TRP 78 HD1 TRP 78 -2.562 6.266 1.136 649 HE1 TRP 78 HE1 TRP 78 -4.345 7.910 1.996 650 HE3 TRP 78 HE3 TRP 78 -2.352 5.174 6.128 651 HZ2 TRP 78 HZ2 TRP 78 -5.513 8.640 4.450 652 HZ3 TRP 78 HZ3 TRP 78 -3.841 6.390 7.662 653 HH2 TRP 78 HH2 TRP 78 -5.388 8.089 6.838 654 H LEU 79 H LEU 79 1.183 4.059 1.400 655 HA LEU 79 HA LEU 79 2.093 1.661 2.481 656 HB2 LEU 79 HB2 LEU 79 3.219 3.279 0.197 657 HB3 LEU 79 HB3 LEU 79 3.708 1.638 0.569 658 HG LEU 79 HG LEU 79 0.922 2.481 -0.220 659 HD11 LEU 79 HD11 LEU 79 3.065 1.043 -1.783 660 HD12 LEU 79 HD12 LEU 79 2.500 2.690 -2.068 661 HD13 LEU 79 HD13 LEU 79 1.410 1.326 -2.324 662 HD21 LEU 79 HD21 LEU 79 0.957 0.532 1.253 663 HD22 LEU 79 HD22 LEU 79 2.125 -0.254 0.191 664 HD23 LEU 79 HD23 LEU 79 0.493 0.082 -0.388 665 H LYS 80 H LYS 80 3.716 4.776 2.237 666 HA LYS 80 HA LYS 80 6.269 4.006 3.017 667 HB2 LYS 80 HB2 LYS 80 5.925 6.135 2.028 668 HB3 LYS 80 HB3 LYS 80 4.739 6.591 3.237 669 HG2 LYS 80 HG2 LYS 80 7.488 6.023 4.177 670 HG3 LYS 80 HG3 LYS 80 7.222 7.504 3.255 671 HD2 LYS 80 HD2 LYS 80 5.711 6.672 5.731 672 HD3 LYS 80 HD3 LYS 80 6.990 7.876 5.661 673 HE2 LYS 80 HE2 LYS 80 4.337 8.026 4.243 674 HE3 LYS 80 HE3 LYS 80 4.790 8.931 5.685 675 HZ1 LYS 80 HZ1 LYS 80 6.053 9.169 3.002 676 HZ2 LYS 80 HZ2 LYS 80 6.542 10.016 4.392 677 HZ3 LYS 80 HZ3 LYS 80 5.009 10.296 3.721 678 H ARG 81 H ARG 81 3.475 4.971 4.964 679 HA ARG 81 HA ARG 81 4.858 4.784 7.464 680 HB2 ARG 81 HB2 ARG 81 1.948 4.936 6.717 681 HB3 ARG 81 HB3 ARG 81 2.470 4.734 8.382 682 HG2 ARG 81 HG2 ARG 81 3.641 6.847 8.306 683 HG3 ARG 81 HG3 ARG 81 3.228 7.039 6.599 684 HD2 ARG 81 HD2 ARG 81 0.917 7.233 7.087 685 HD3 ARG 81 HD3 ARG 81 1.155 6.713 8.753 686 HE ARG 81 HE ARG 81 2.543 8.906 8.863 687 HH11 ARG 81 HH11 ARG 81 -0.397 8.402 7.036 688 HH12 ARG 81 HH12 ARG 81 -0.960 10.035 7.221 689 HH21 ARG 81 HH21 ARG 81 1.825 11.069 9.101 690 HH22 ARG 81 HH22 ARG 81 0.319 11.564 8.382 691 H MET 82 H MET 82 2.610 2.697 5.693 692 HA MET 82 HA MET 82 2.256 0.770 7.689 693 HB2 MET 82 HB2 MET 82 0.823 1.027 5.677 694 HB3 MET 82 HB3 MET 82 2.122 0.355 4.702 695 HG2 MET 82 HG2 MET 82 1.981 -1.738 5.978 696 HG3 MET 82 HG3 MET 82 0.645 -1.067 6.911 697 HE1 MET 82 HE1 MET 82 1.875 -2.332 3.434 698 HE2 MET 82 HE2 MET 82 1.394 -0.681 3.042 699 HE3 MET 82 HE3 MET 82 0.475 -2.040 2.400 700 H PHE 83 H PHE 83 4.536 0.800 4.949 701 HA PHE 83 HA PHE 83 5.640 -1.740 5.645 702 HB2 PHE 83 HB2 PHE 83 6.486 0.414 3.729 703 HB3 PHE 83 HB3 PHE 83 7.495 -0.998 4.027 704 HD1 PHE 83 HD1 PHE 83 6.234 -3.302 3.832 705 HD2 PHE 83 HD2 PHE 83 4.967 0.324 2.004 706 HE1 PHE 83 HE1 PHE 83 4.954 -4.591 2.175 707 HE2 PHE 83 HE2 PHE 83 3.678 -0.960 0.349 708 HZ PHE 83 HZ PHE 83 3.672 -3.419 0.431 709 H ASN 84 H ASN 84 6.375 1.561 6.511 710 HA ASN 84 HA ASN 84 9.000 1.170 7.467 711 HB2 ASN 84 HB2 ASN 84 7.981 3.406 7.100 712 HB3 ASN 84 HB3 ASN 84 6.932 3.132 8.489 713 HD21 ASN 84 HD21 ASN 84 7.719 4.806 9.707 714 HD22 ASN 84 HD22 ASN 84 9.327 4.827 10.358 715 H TYR 85 H TYR 85 5.845 0.760 8.940 716 HA TYR 85 HA TYR 85 6.715 0.207 11.569 717 HB2 TYR 85 HB2 TYR 85 4.382 0.774 10.983 718 HB3 TYR 85 HB3 TYR 85 4.230 -0.750 10.119 719 HD1 TYR 85 HD1 TYR 85 5.226 0.454 13.524 720 HD2 TYR 85 HD2 TYR 85 3.137 -2.452 11.222 721 HE1 TYR 85 HE1 TYR 85 4.442 -0.615 15.594 722 HE2 TYR 85 HE2 TYR 85 2.353 -3.530 13.288 723 HH TYR 85 HH TYR 85 2.596 -2.061 16.339 724 H ALA 86 H ALA 86 6.293 -1.805 8.712 725 HA ALA 86 HA ALA 86 6.847 -4.277 10.002 726 HB1 ALA 86 HB1 ALA 86 7.145 -5.172 7.762 727 HB2 ALA 86 HB2 ALA 86 7.208 -3.538 7.099 728 HB3 ALA 86 HB3 ALA 86 5.717 -4.137 7.826 729 H ILE 87 H ILE 87 8.798 -1.762 8.575 730 HA ILE 87 HA ILE 87 11.259 -3.149 8.510 731 HB ILE 87 HB ILE 87 10.713 -0.179 8.687 732 HG12 ILE 87 HG12 ILE 87 11.453 -1.920 6.324 733 HG13 ILE 87 HG13 ILE 87 9.837 -1.315 6.668 734 HG21 ILE 87 HG21 ILE 87 13.016 0.136 7.937 735 HG22 ILE 87 HG22 ILE 87 13.281 -1.606 8.020 736 HG23 ILE 87 HG23 ILE 87 12.955 -0.695 9.493 737 HD11 ILE 87 HD11 ILE 87 10.620 0.970 6.382 738 HD12 ILE 87 HD12 ILE 87 10.938 -0.003 4.946 739 HD13 ILE 87 HD13 ILE 87 12.251 0.379 6.061 740 H LYS 88 H LYS 88 9.801 -0.978 10.927 741 HA LYS 88 HA LYS 88 12.055 -1.129 12.657 742 HB2 LYS 88 HB2 LYS 88 10.626 0.029 14.307 743 HB3 LYS 88 HB3 LYS 88 10.701 0.834 12.748 744 HG2 LYS 88 HG2 LYS 88 8.512 -0.232 12.185 745 HG3 LYS 88 HG3 LYS 88 8.437 -0.802 13.855 746 HD2 LYS 88 HD2 LYS 88 7.190 1.290 13.543 747 HD3 LYS 88 HD3 LYS 88 8.542 1.490 14.664 748 HE2 LYS 88 HE2 LYS 88 9.891 2.375 12.768 749 HE3 LYS 88 HE3 LYS 88 8.449 2.300 11.760 750 HZ1 LYS 88 HZ1 LYS 88 8.751 3.929 14.228 751 HZ2 LYS 88 HZ2 LYS 88 7.356 3.848 13.271 752 HZ3 LYS 88 HZ3 LYS 88 8.779 4.521 12.643 753 H ARG 89 H ARG 89 9.323 -3.137 12.185 754 HA ARG 89 HA ARG 89 9.747 -4.532 14.715 755 HB2 ARG 89 HB2 ARG 89 7.796 -4.982 12.458 756 HB3 ARG 89 HB3 ARG 89 7.934 -6.064 13.836 757 HG2 ARG 89 HG2 ARG 89 7.414 -4.147 15.323 758 HG3 ARG 89 HG3 ARG 89 7.140 -3.163 13.884 759 HD2 ARG 89 HD2 ARG 89 5.040 -4.020 14.766 760 HD3 ARG 89 HD3 ARG 89 5.373 -4.689 13.170 761 HE ARG 89 HE ARG 89 6.183 -6.714 14.416 762 HH11 ARG 89 HH11 ARG 89 3.803 -4.552 15.796 763 HH12 ARG 89 HH12 ARG 89 3.082 -5.777 16.790 764 HH21 ARG 89 HH21 ARG 89 5.247 -8.331 15.714 765 HH22 ARG 89 HH22 ARG 89 3.901 -7.926 16.747 766 H HIS 90 H HIS 90 11.372 -4.411 11.978 767 HA HIS 90 HA HIS 90 12.845 -5.694 10.862 768 HB2 HIS 90 HB2 HIS 90 13.750 -6.053 13.137 769 HB3 HIS 90 HB3 HIS 90 12.742 -7.489 13.294 770 HD1 HIS 90 HD1 HIS 90 14.055 -9.547 12.918 771 HD2 HIS 90 HD2 HIS 90 15.410 -6.396 10.564 772 HE1 HIS 90 HE1 HIS 90 15.956 -10.480 11.556 773 HE2 HIS 90 HE2 HIS 90 16.566 -8.627 9.963 774 H ILE 91 H ILE 91 10.507 -6.078 9.775 775 HA ILE 91 HA ILE 91 10.426 -8.971 9.242 776 HB ILE 91 HB ILE 91 8.671 -6.760 8.134 777 HG12 ILE 91 HG12 ILE 91 8.072 -8.855 10.238 778 HG13 ILE 91 HG13 ILE 91 8.330 -7.142 10.550 779 HG21 ILE 91 HG21 ILE 91 8.855 -8.616 6.590 780 HG22 ILE 91 HG22 ILE 91 7.250 -8.596 7.321 781 HG23 ILE 91 HG23 ILE 91 8.458 -9.756 7.876 782 HD11 ILE 91 HD11 ILE 91 5.967 -7.728 10.578 783 HD12 ILE 91 HD12 ILE 91 6.086 -8.308 8.916 784 HD13 ILE 91 HD13 ILE 91 6.332 -6.599 9.274 785 H ILE 92 H ILE 92 10.835 -5.840 7.727 786 HA ILE 92 HA ILE 92 12.923 -6.919 5.995 787 HB ILE 92 HB ILE 92 12.093 -5.405 4.140 788 HG12 ILE 92 HG12 ILE 92 9.571 -5.416 5.817 789 HG13 ILE 92 HG13 ILE 92 10.580 -4.016 5.475 790 HG21 ILE 92 HG21 ILE 92 11.828 -7.802 3.968 791 HG22 ILE 92 HG22 ILE 92 10.403 -6.995 3.313 792 HG23 ILE 92 HG23 ILE 92 10.340 -7.732 4.914 793 HD11 ILE 92 HD11 ILE 92 10.006 -4.179 3.110 794 HD12 ILE 92 HD12 ILE 92 8.565 -4.024 4.117 795 HD13 ILE 92 HD13 ILE 92 9.011 -5.594 3.451 796 H GLU 93 H GLU 93 14.445 -5.174 5.342 797 HA GLU 93 HA GLU 93 14.240 -2.878 7.169 798 HB2 GLU 93 HB2 GLU 93 16.653 -2.499 6.687 799 HB3 GLU 93 HB3 GLU 93 16.314 -4.032 7.472 800 HG2 GLU 93 HG2 GLU 93 16.598 -3.859 4.501 801 HG3 GLU 93 HG3 GLU 93 18.013 -3.962 5.551 802 H TYR 94 H TYR 94 13.846 -3.726 3.943 803 HA TYR 94 HA TYR 94 13.945 -0.893 3.161 804 HB2 TYR 94 HB2 TYR 94 14.572 -1.566 0.897 805 HB3 TYR 94 HB3 TYR 94 15.757 -2.155 2.054 806 HD1 TYR 94 HD2 TYR 94 15.587 -4.615 2.772 807 HD2 TYR 94 HD1 TYR 94 13.532 -3.033 -0.602 808 HE1 TYR 94 HE2 TYR 94 15.333 -6.887 1.870 809 HE2 TYR 94 HE1 TYR 94 13.271 -5.301 -1.511 810 HH TYR 94 HH TYR 94 14.333 -7.495 -1.327 811 H ASN 95 H ASN 95 12.130 -0.086 2.233 812 HA ASN 95 HA ASN 95 9.901 -1.970 1.943 813 HB2 ASN 95 HB2 ASN 95 8.417 -0.025 2.133 814 HB3 ASN 95 HB3 ASN 95 9.492 -0.146 3.516 815 HD21 ASN 95 HD21 ASN 95 8.023 2.129 2.444 816 HD22 ASN 95 HD22 ASN 95 9.202 3.359 2.133 817 HA PRO 96 HA PRO 96 9.998 -1.702 -2.417 818 HB2 PRO 96 HB2 PRO 96 7.065 -1.962 -2.423 819 HB3 PRO 96 HB3 PRO 96 8.292 -3.070 -3.044 820 HG2 PRO 96 HG2 PRO 96 6.873 -3.628 -0.833 821 HG3 PRO 96 HG3 PRO 96 8.569 -4.115 -1.005 822 HD2 PRO 96 HD2 PRO 96 7.400 -1.816 0.516 823 HD3 PRO 96 HD3 PRO 96 8.708 -2.925 0.981 824 H ALA 97 H ALA 97 8.037 0.457 -0.576 825 HA ALA 97 HA ALA 97 7.051 1.999 -2.778 826 HB1 ALA 97 HB1 ALA 97 7.208 2.712 0.151 827 HB2 ALA 97 HB2 ALA 97 5.856 1.908 -0.645 828 HB3 ALA 97 HB3 ALA 97 6.272 3.566 -1.076 829 H ALA 98 H ALA 98 10.057 1.792 -1.241 830 HA ALA 98 HA ALA 98 10.847 4.539 -1.526 831 HB1 ALA 98 HB1 ALA 98 12.558 2.098 -1.077 832 HB2 ALA 98 HB2 ALA 98 11.816 3.073 0.192 833 HB3 ALA 98 HB3 ALA 98 13.047 3.779 -0.855 834 H ALA 99 H ALA 99 10.447 2.012 -3.689 835 HA ALA 99 HA ALA 99 12.701 2.644 -5.400 836 HB1 ALA 99 HB1 ALA 99 10.419 0.725 -5.833 837 HB2 ALA 99 HB2 ALA 99 11.977 0.321 -5.116 838 HB3 ALA 99 HB3 ALA 99 11.888 0.831 -6.802 839 H PHE 100 H PHE 100 10.346 4.534 -4.862 840 HA PHE 100 HA PHE 100 9.878 5.167 -7.702 841 HB2 PHE 100 HB2 PHE 100 7.919 5.678 -5.448 842 HB3 PHE 100 HB3 PHE 100 7.668 6.028 -7.154 843 HD1 PHE 100 HD1 PHE 100 7.784 3.422 -4.595 844 HD2 PHE 100 HD2 PHE 100 7.148 4.265 -8.717 845 HE1 PHE 100 HE1 PHE 100 6.791 1.192 -4.892 846 HE2 PHE 100 HE2 PHE 100 6.156 2.036 -9.020 847 HZ PHE 100 HZ PHE 100 5.976 0.499 -7.106 848 H ASP 101 H ASP 101 8.781 6.971 -4.935 849 HA ASP 101 HA ASP 101 10.929 8.631 -4.401 850 HB2 ASP 101 HB2 ASP 101 10.519 9.359 -6.819 851 HB3 ASP 101 HB3 ASP 101 8.993 10.036 -6.255 852 HA PRO 102 HA PRO 102 7.557 9.150 -1.535 853 HB2 PRO 102 HB2 PRO 102 9.275 9.681 0.598 854 HB3 PRO 102 HB3 PRO 102 8.718 8.089 0.089 855 HG2 PRO 102 HG2 PRO 102 11.362 9.112 -0.041 856 HG3 PRO 102 HG3 PRO 102 10.776 7.567 -0.676 857 HD2 PRO 102 HD2 PRO 102 11.288 10.124 -2.086 858 HD3 PRO 102 HD3 PRO 102 11.322 8.459 -2.707 859 H GLY 103 H GLY 103 9.061 11.550 -3.016 860 HA2 GLY 103 HA2 GLY 103 7.787 13.576 -1.361 861 HA3 GLY 103 HA3 GLY 103 9.531 13.697 -1.494 862 H ASP 104 H ASP 104 7.101 12.847 -3.967 863 HA ASP 104 HA ASP 104 8.187 14.886 -5.705 864 HB2 ASP 104 HB2 ASP 104 7.408 12.695 -6.617 865 HB3 ASP 104 HB3 ASP 104 5.763 13.129 -6.163 866 H ALA 105 H ALA 105 7.569 16.896 -5.685 867 HA ALA 105 HA ALA 105 6.394 18.806 -5.392 868 HB1 ALA 105 HB1 ALA 105 4.639 17.725 -6.732 869 HB2 ALA 105 HB2 ALA 105 3.967 18.793 -5.500 870 HB3 ALA 105 HB3 ALA 105 3.946 17.045 -5.261 871 H GLY 106 H GLY 106 4.285 19.489 -3.739 872 HA2 GLY 106 HA2 GLY 106 3.595 19.590 -1.508 873 HA3 GLY 106 HA3 GLY 106 4.769 18.341 -1.109 874 H GLY 107 H GLY 107 7.107 19.067 -1.346 875 HA2 GLY 107 HA2 GLY 107 7.445 21.537 0.125 876 HA3 GLY 107 HA3 GLY 107 8.711 20.394 -0.304 877 H LYS 108 H LYS 108 7.529 20.541 -3.138 878 HA LYS 108 HA LYS 108 9.345 22.437 -4.153 879 HB2 LYS 108 HB2 LYS 108 7.254 20.671 -5.320 880 HB3 LYS 108 HB3 LYS 108 7.888 21.985 -6.308 881 HG2 LYS 108 HG2 LYS 108 9.524 19.837 -4.980 882 HG3 LYS 108 HG3 LYS 108 9.102 19.913 -6.695 883 HD2 LYS 108 HD2 LYS 108 10.365 21.904 -7.001 884 HD3 LYS 108 HD3 LYS 108 10.591 22.102 -5.261 885 HE2 LYS 108 HE2 LYS 108 11.954 20.115 -5.182 886 HE3 LYS 108 HE3 LYS 108 11.656 19.823 -6.889 887 HZ1 LYS 108 HZ1 LYS 108 13.033 22.219 -5.808 888 HZ2 LYS 108 HZ2 LYS 108 12.840 21.828 -7.445 889 HZ3 LYS 108 HZ3 LYS 108 13.824 20.865 -6.453 890 H LEU 109 H LEU 109 9.140 24.410 -4.908 891 HA LEU 109 HA LEU 109 6.702 25.670 -5.562 892 HB2 LEU 109 HB2 LEU 109 6.811 27.458 -3.793 893 HB3 LEU 109 HB3 LEU 109 6.251 25.891 -3.252 894 HG LEU 109 HG LEU 109 8.710 25.538 -2.484 895 HD11 LEU 109 HD11 LEU 109 9.854 27.588 -1.824 896 HD12 LEU 109 HD12 LEU 109 8.605 28.547 -2.615 897 HD13 LEU 109 HD13 LEU 109 9.655 27.505 -3.575 898 HD21 LEU 109 HD21 LEU 109 6.812 25.694 -0.985 899 HD22 LEU 109 HD22 LEU 109 6.854 27.453 -1.087 900 HD23 LEU 109 HD23 LEU 109 8.188 26.583 -0.331 901 H GLU 110 H GLU 110 7.020 27.753 -6.457 902 HA GLU 110 HA GLU 110 9.772 28.696 -6.673 903 HB2 GLU 110 HB2 GLU 110 9.498 28.858 -9.183 904 HB3 GLU 110 HB3 GLU 110 9.706 27.232 -8.545 905 HG2 GLU 110 HG2 GLU 110 7.274 26.895 -8.675 906 HG3 GLU 110 HG3 GLU 110 7.109 28.506 -9.374 907 H HIS 111 H HIS 111 9.732 30.790 -6.265 908 HA HIS 111 HA HIS 111 7.283 32.275 -6.978 909 HB2 HIS 111 HB2 HIS 111 9.140 32.817 -4.658 910 HB3 HIS 111 HB3 HIS 111 7.696 33.739 -5.062 911 HD1 HIS 111 HD1 HIS 111 5.548 31.725 -5.382 912 HD2 HIS 111 HD2 HIS 111 8.544 31.306 -2.519 913 HE1 HIS 111 HE1 HIS 111 4.625 30.147 -3.654 914 HE2 HIS 111 HE2 HIS 111 6.373 30.065 -1.839 915 H HIS 112 H HIS 112 7.914 33.055 -8.917 916 HA HIS 112 HA HIS 112 10.113 35.012 -8.817 917 HB2 HIS 112 HB2 HIS 112 9.136 33.413 -11.197 918 HB3 HIS 112 HB3 HIS 112 10.348 34.688 -11.273 919 HD1 HIS 112 HD1 HIS 112 10.204 31.194 -11.297 920 HD2 HIS 112 HD2 HIS 112 12.519 33.930 -9.179 921 HE1 HIS 112 HE1 HIS 112 12.218 29.917 -10.505 922 HE2 HIS 112 HE2 HIS 112 13.506 31.538 -9.076 923 H HIS 113 H HIS 113 9.720 37.014 -9.926 924 HA HIS 113 HA HIS 113 7.008 37.808 -9.348 925 HB2 HIS 113 HB2 HIS 113 9.345 39.470 -10.308 926 HB3 HIS 113 HB3 HIS 113 7.812 40.098 -9.714 927 HD1 HIS 113 HD1 HIS 113 7.415 40.044 -7.163 928 HD2 HIS 113 HD2 HIS 113 11.099 38.514 -8.335 929 HE1 HIS 113 HE1 HIS 113 8.751 39.800 -5.047 930 HE2 HIS 113 HE2 HIS 113 10.912 38.716 -5.762 931 H HIS 114 H HIS 114 5.647 37.089 -10.863 932 HA HIS 114 HA HIS 114 6.084 38.063 -13.606 933 HB2 HIS 114 HB2 HIS 114 4.766 36.119 -14.409 934 HB3 HIS 114 HB3 HIS 114 6.252 35.639 -13.605 935 HD1 HIS 114 HD1 HIS 114 5.940 34.694 -11.093 936 HD2 HIS 114 HD2 HIS 114 2.486 35.008 -13.385 937 HE1 HIS 114 HE1 HIS 114 4.238 33.245 -9.951 938 HE2 HIS 114 HE2 HIS 114 2.098 33.648 -11.218 939 H HIS 115 H HIS 115 4.713 39.561 -14.174 940 HA HIS 115 HA HIS 115 1.947 39.503 -13.358 941 HB2 HIS 115 HB2 HIS 115 2.113 41.842 -12.351 942 HB3 HIS 115 HB3 HIS 115 2.726 40.516 -11.371 943 HD1 HIS 115 HD1 HIS 115 4.995 40.852 -10.422 944 HD2 HIS 115 HD2 HIS 115 4.318 43.265 -13.747 945 HE1 HIS 115 HE1 HIS 115 7.048 42.282 -10.656 946 HE2 HIS 115 HE2 HIS 115 6.672 43.647 -12.737 947 H HIS 116 H HIS 116 4.557 40.783 -15.216 948 HA HIS 116 HA HIS 116 2.871 41.556 -17.350 949 HB2 HIS 116 HB2 HIS 116 2.447 43.477 -15.804 950 HB3 HIS 116 HB3 HIS 116 4.166 43.848 -15.850 951 HD1 HIS 116 HD1 HIS 116 1.117 43.809 -18.077 952 HD2 HIS 116 HD2 HIS 116 4.978 45.353 -17.990 953 HE1 HIS 116 HE1 HIS 116 1.265 45.378 -20.037 954 HE2 HIS 116 HE2 HIS 116 3.537 46.459 -19.835 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -5.331 -6.869 12.329 2 H2 MET 1 H2 MET 1 -5.711 -8.513 12.477 3 H3 MET 1 H3 MET 1 -4.320 -8.032 11.635 4 HA MET 1 HA MET 1 -3.320 -7.192 13.606 5 HB2 MET 1 HB2 MET 1 -4.429 -7.617 15.807 6 HB3 MET 1 HB3 MET 1 -5.247 -6.427 14.808 7 HG2 MET 1 HG2 MET 1 -6.868 -8.158 14.126 8 HG3 MET 1 HG3 MET 1 -6.071 -9.294 15.214 9 HE1 MET 1 HE1 MET 1 -6.697 -5.453 15.763 10 HE2 MET 1 HE2 MET 1 -8.228 -5.468 16.637 11 HE3 MET 1 HE3 MET 1 -8.171 -5.977 14.949 12 H ALA 2 H ALA 2 -1.714 -8.601 13.518 13 HA ALA 2 HA ALA 2 -2.176 -11.275 14.650 14 HB1 ALA 2 HB1 ALA 2 -0.724 -12.297 12.981 15 HB2 ALA 2 HB2 ALA 2 -0.530 -10.739 12.178 16 HB3 ALA 2 HB3 ALA 2 -2.109 -11.524 12.212 17 H GLU 3 H GLU 3 0.288 -12.278 14.867 18 HA GLU 3 HA GLU 3 1.993 -10.203 15.994 19 HB2 GLU 3 HB2 GLU 3 0.477 -10.599 17.815 20 HB3 GLU 3 HB3 GLU 3 0.667 -12.339 17.663 21 HG2 GLU 3 HG2 GLU 3 3.020 -12.120 18.321 22 HG3 GLU 3 HG3 GLU 3 2.781 -10.384 18.528 23 H LYS 4 H LYS 4 1.580 -13.759 16.120 24 HA LYS 4 HA LYS 4 4.446 -14.024 16.422 25 HB2 LYS 4 HB2 LYS 4 3.835 -16.500 16.625 26 HB3 LYS 4 HB3 LYS 4 3.250 -15.411 17.876 27 HG2 LYS 4 HG2 LYS 4 1.060 -15.336 16.774 28 HG3 LYS 4 HG3 LYS 4 1.652 -16.456 15.544 29 HD2 LYS 4 HD2 LYS 4 1.907 -18.198 17.137 30 HD3 LYS 4 HD3 LYS 4 1.658 -17.089 18.487 31 HE2 LYS 4 HE2 LYS 4 -0.649 -16.763 17.840 32 HE3 LYS 4 HE3 LYS 4 -0.417 -17.756 16.400 33 HZ1 LYS 4 HZ1 LYS 4 0.064 -18.844 19.107 34 HZ2 LYS 4 HZ2 LYS 4 -0.249 -19.683 17.665 35 HZ3 LYS 4 HZ3 LYS 4 -1.491 -18.824 18.433 36 H ASN 5 H ASN 5 2.107 -14.483 13.894 37 HA ASN 5 HA ASN 5 4.055 -15.999 12.314 38 HB2 ASN 5 HB2 ASN 5 1.139 -15.381 11.780 39 HB3 ASN 5 HB3 ASN 5 2.174 -16.349 10.738 40 HD21 ASN 5 HD21 ASN 5 -0.301 -16.978 12.191 41 HD22 ASN 5 HD22 ASN 5 0.062 -18.383 13.136 42 H ALA 6 H ALA 6 4.978 -15.209 10.484 43 HA ALA 6 HA ALA 6 4.855 -12.397 9.953 44 HB1 ALA 6 HB1 ALA 6 6.912 -13.660 9.593 45 HB2 ALA 6 HB2 ALA 6 6.379 -12.868 8.110 46 HB3 ALA 6 HB3 ALA 6 6.120 -14.599 8.330 47 H TYR 7 H TYR 7 3.012 -11.619 9.188 48 HA TYR 7 HA TYR 7 1.351 -13.269 7.499 49 HB2 TYR 7 HB2 TYR 7 -0.245 -11.259 7.781 50 HB3 TYR 7 HB3 TYR 7 0.083 -12.296 9.161 51 HD1 TYR 7 HD2 TYR 7 0.689 -8.979 7.687 52 HD2 TYR 7 HD1 TYR 7 1.258 -11.473 11.081 53 HE1 TYR 7 HE2 TYR 7 1.321 -7.018 9.021 54 HE2 TYR 7 HE1 TYR 7 1.879 -9.514 12.427 55 HH TYR 7 HH TYR 7 1.240 -6.410 11.508 56 H THR 8 H THR 8 -0.076 -11.554 6.030 57 HA THR 8 HA THR 8 1.743 -11.156 3.813 58 HB THR 8 HB THR 8 -0.378 -10.761 2.535 59 HG1 THR 8 HG1 THR 8 -1.777 -11.702 4.809 60 HG21 THR 8 HG21 THR 8 0.618 -12.983 2.652 61 HG22 THR 8 HG22 THR 8 -1.142 -13.096 2.656 62 HG23 THR 8 HG23 THR 8 -0.239 -13.306 4.158 63 H VAL 9 H VAL 9 1.191 -9.257 2.312 64 HA VAL 9 HA VAL 9 1.600 -6.781 3.638 65 HB VAL 9 HB VAL 9 2.406 -7.145 1.355 66 HG11 VAL 9 HG11 VAL 9 -0.502 -7.211 0.557 67 HG12 VAL 9 HG12 VAL 9 0.622 -8.570 0.520 68 HG13 VAL 9 HG13 VAL 9 0.870 -7.191 -0.552 69 HG21 VAL 9 HG21 VAL 9 0.330 -4.963 1.478 70 HG22 VAL 9 HG22 VAL 9 1.672 -5.044 0.337 71 HG23 VAL 9 HG23 VAL 9 1.990 -4.852 2.061 72 H ALA 10 H ALA 10 -1.184 -8.556 2.640 73 HA ALA 10 HA ALA 10 -3.089 -6.468 2.641 74 HB1 ALA 10 HB1 ALA 10 -4.746 -8.252 2.750 75 HB2 ALA 10 HB2 ALA 10 -3.484 -9.412 3.166 76 HB3 ALA 10 HB3 ALA 10 -3.483 -8.640 1.580 77 H GLN 11 H GLN 11 -1.744 -8.524 5.131 78 HA GLN 11 HA GLN 11 -3.719 -7.828 7.096 79 HB2 GLN 11 HB2 GLN 11 -2.493 -10.012 7.034 80 HB3 GLN 11 HB3 GLN 11 -1.036 -9.155 7.507 81 HG2 GLN 11 HG2 GLN 11 -2.115 -10.287 9.392 82 HG3 GLN 11 HG3 GLN 11 -2.038 -8.540 9.619 83 HE21 GLN 11 HE21 GLN 11 -3.890 -7.365 9.710 84 HE22 GLN 11 HE22 GLN 11 -5.472 -8.081 9.736 85 H LEU 12 H LEU 12 -0.519 -6.704 6.194 86 HA LEU 12 HA LEU 12 0.170 -5.147 8.387 87 HB2 LEU 12 HB2 LEU 12 0.600 -4.703 5.439 88 HB3 LEU 12 HB3 LEU 12 1.246 -3.613 6.645 89 HG LEU 12 HG LEU 12 1.931 -6.548 6.433 90 HD11 LEU 12 HD11 LEU 12 4.115 -5.717 5.647 91 HD12 LEU 12 HD12 LEU 12 3.459 -4.080 5.606 92 HD13 LEU 12 HD13 LEU 12 2.803 -5.321 4.538 93 HD21 LEU 12 HD21 LEU 12 3.711 -5.973 8.024 94 HD22 LEU 12 HD22 LEU 12 2.107 -5.706 8.707 95 HD23 LEU 12 HD23 LEU 12 3.066 -4.336 8.144 96 H ALA 13 H ALA 13 -1.918 -4.361 5.656 97 HA ALA 13 HA ALA 13 -2.323 -1.652 6.315 98 HB1 ALA 13 HB1 ALA 13 -4.157 -1.734 4.711 99 HB2 ALA 13 HB2 ALA 13 -4.077 -3.495 4.698 100 HB3 ALA 13 HB3 ALA 13 -2.725 -2.546 4.080 101 H ASP 14 H ASP 14 -3.777 -4.577 7.501 102 HA ASP 14 HA ASP 14 -6.184 -3.376 8.467 103 HB2 ASP 14 HB2 ASP 14 -6.035 -5.791 8.002 104 HB3 ASP 14 HB3 ASP 14 -4.861 -5.967 9.301 105 H GLU 15 H GLU 15 -3.147 -4.394 10.043 106 HA GLU 15 HA GLU 15 -3.770 -3.277 12.563 107 HB2 GLU 15 HB2 GLU 15 -1.184 -3.995 11.213 108 HB3 GLU 15 HB3 GLU 15 -1.176 -3.163 12.760 109 HG2 GLU 15 HG2 GLU 15 -1.028 -5.327 13.441 110 HG3 GLU 15 HG3 GLU 15 -2.776 -5.110 13.467 111 H TYR 16 H TYR 16 -2.269 -1.955 9.676 112 HA TYR 16 HA TYR 16 -1.379 0.462 10.823 113 HB2 TYR 16 HB2 TYR 16 -0.598 -0.469 8.645 114 HB3 TYR 16 HB3 TYR 16 -2.148 -0.031 7.939 115 HD1 TYR 16 HD1 TYR 16 1.051 1.227 9.203 116 HD2 TYR 16 HD2 TYR 16 -2.690 2.306 7.486 117 HE1 TYR 16 HE1 TYR 16 1.936 3.464 8.692 118 HE2 TYR 16 HE2 TYR 16 -1.812 4.543 6.970 119 HH TYR 16 HH TYR 16 -0.029 6.055 7.830 120 H PHE 17 H PHE 17 -4.384 -0.307 9.020 121 HA PHE 17 HA PHE 17 -5.280 2.405 9.196 122 HB2 PHE 17 HB2 PHE 17 -6.980 1.816 7.808 123 HB3 PHE 17 HB3 PHE 17 -5.934 0.439 7.509 124 HD1 PHE 17 HD2 PHE 17 -6.503 -1.762 8.367 125 HD2 PHE 17 HD1 PHE 17 -9.047 1.583 9.014 126 HE1 PHE 17 HE2 PHE 17 -8.333 -3.278 8.997 127 HE2 PHE 17 HE1 PHE 17 -10.884 0.074 9.641 128 HZ PHE 17 HZ PHE 17 -10.528 -2.362 9.634 129 H GLU 18 H GLU 18 -5.713 -0.452 11.145 130 HA GLU 18 HA GLU 18 -7.974 0.363 12.613 131 HB2 GLU 18 HB2 GLU 18 -6.799 -1.936 12.507 132 HB3 GLU 18 HB3 GLU 18 -5.721 -1.300 13.735 133 HG2 GLU 18 HG2 GLU 18 -8.677 -1.269 14.156 134 HG3 GLU 18 HG3 GLU 18 -7.749 -2.737 14.426 135 H ARG 19 H ARG 19 -4.608 1.195 12.820 136 HA ARG 19 HA ARG 19 -5.050 2.540 15.381 137 HB2 ARG 19 HB2 ARG 19 -2.489 1.812 13.960 138 HB3 ARG 19 HB3 ARG 19 -2.586 2.604 15.532 139 HG2 ARG 19 HG2 ARG 19 -3.788 0.693 16.436 140 HG3 ARG 19 HG3 ARG 19 -3.719 -0.101 14.865 141 HD2 ARG 19 HD2 ARG 19 -1.374 -0.356 14.997 142 HD3 ARG 19 HD3 ARG 19 -1.267 0.739 16.378 143 HE ARG 19 HE ARG 19 -2.913 -1.242 17.249 144 HH11 ARG 19 HH11 ARG 19 0.294 -1.249 15.835 145 HH12 ARG 19 HH12 ARG 19 0.801 -2.662 16.712 146 HH21 ARG 19 HH21 ARG 19 -2.266 -3.087 18.369 147 HH22 ARG 19 HH22 ARG 19 -0.661 -3.727 18.151 148 H MET 20 H MET 20 -3.892 3.191 12.096 149 HA MET 20 HA MET 20 -3.353 5.966 12.711 150 HB2 MET 20 HB2 MET 20 -3.330 4.421 10.122 151 HB3 MET 20 HB3 MET 20 -2.982 6.139 10.213 152 HG2 MET 20 HG2 MET 20 -1.424 4.041 11.702 153 HG3 MET 20 HG3 MET 20 -0.994 4.635 10.106 154 HE1 MET 20 HE1 MET 20 -0.668 6.986 14.063 155 HE2 MET 20 HE2 MET 20 -0.929 5.247 13.920 156 HE3 MET 20 HE3 MET 20 -2.223 6.370 13.502 157 H ILE 21 H ILE 21 -6.027 4.147 11.462 158 HA ILE 21 HA ILE 21 -7.371 6.631 10.614 159 HB ILE 21 HB ILE 21 -8.098 3.796 9.837 160 HG12 ILE 21 HG12 ILE 21 -6.453 5.860 8.356 161 HG13 ILE 21 HG13 ILE 21 -5.852 4.352 9.032 162 HG21 ILE 21 HG21 ILE 21 -9.382 4.870 8.058 163 HG22 ILE 21 HG22 ILE 21 -8.890 6.456 8.651 164 HG23 ILE 21 HG23 ILE 21 -9.922 5.426 9.643 165 HD11 ILE 21 HD11 ILE 21 -7.829 4.623 6.781 166 HD12 ILE 21 HD12 ILE 21 -7.249 3.105 7.466 167 HD13 ILE 21 HD13 ILE 21 -6.127 4.183 6.638 168 H ALA 22 H ALA 22 -7.040 5.333 13.335 169 HA ALA 22 HA ALA 22 -9.866 5.068 14.059 170 HB1 ALA 22 HB1 ALA 22 -7.402 4.696 15.758 171 HB2 ALA 22 HB2 ALA 22 -8.312 3.407 14.969 172 HB3 ALA 22 HB3 ALA 22 -9.063 4.365 16.246 173 H GLY 23 H GLY 23 -7.841 7.513 13.501 174 HA2 GLY 23 HA2 GLY 23 -8.984 9.160 15.661 175 HA3 GLY 23 HA3 GLY 23 -7.307 9.330 15.168 176 H ARG 24 H ARG 24 -10.577 10.105 14.496 177 HA ARG 24 HA ARG 24 -11.602 11.506 13.054 178 HB2 ARG 24 HB2 ARG 24 -8.837 12.665 13.027 179 HB3 ARG 24 HB3 ARG 24 -10.147 13.372 12.091 180 HG2 ARG 24 HG2 ARG 24 -10.093 13.001 15.077 181 HG3 ARG 24 HG3 ARG 24 -9.892 14.511 14.194 182 HD2 ARG 24 HD2 ARG 24 -12.352 12.784 14.242 183 HD3 ARG 24 HD3 ARG 24 -12.149 14.346 15.036 184 HE ARG 24 HE ARG 24 -11.667 14.998 12.494 185 HH11 ARG 24 HH11 ARG 24 -14.248 13.130 13.954 186 HH12 ARG 24 HH12 ARG 24 -15.389 13.498 12.698 187 HH21 ARG 24 HH21 ARG 24 -13.165 15.462 10.828 188 HH22 ARG 24 HH22 ARG 24 -14.780 14.817 10.923 189 H TRP 25 H TRP 25 -12.256 10.161 11.480 190 HA TRP 25 HA TRP 25 -10.796 10.341 8.972 191 HB2 TRP 25 HB2 TRP 25 -10.802 7.967 8.545 192 HB3 TRP 25 HB3 TRP 25 -10.009 8.247 10.081 193 HD1 TRP 25 HD1 TRP 25 -12.572 6.155 8.525 194 HE1 TRP 25 HE1 TRP 25 -13.926 4.865 10.291 195 HE3 TRP 25 HE3 TRP 25 -11.088 8.688 12.708 196 HZ2 TRP 25 HZ2 TRP 25 -14.323 4.919 13.079 197 HZ3 TRP 25 HZ3 TRP 25 -12.006 8.008 14.882 198 HH2 TRP 25 HH2 TRP 25 -13.593 6.162 15.063 199 H LYS 26 H LYS 26 -13.663 9.032 10.584 200 HA LYS 26 HA LYS 26 -15.826 8.793 10.012 201 HB2 LYS 26 HB2 LYS 26 -15.539 11.320 9.770 202 HB3 LYS 26 HB3 LYS 26 -15.475 11.038 8.035 203 HG2 LYS 26 HG2 LYS 26 -17.713 11.668 8.691 204 HG3 LYS 26 HG3 LYS 26 -17.701 9.989 8.141 205 HD2 LYS 26 HD2 LYS 26 -17.571 9.265 10.509 206 HD3 LYS 26 HD3 LYS 26 -17.709 10.953 11.002 207 HE2 LYS 26 HE2 LYS 26 -19.896 11.083 9.890 208 HE3 LYS 26 HE3 LYS 26 -19.754 9.391 9.423 209 HZ1 LYS 26 HZ1 LYS 26 -19.961 10.475 12.180 210 HZ2 LYS 26 HZ2 LYS 26 -19.624 8.851 11.826 211 HZ3 LYS 26 HZ3 LYS 26 -21.106 9.528 11.364 212 H HIS 27 H HIS 27 -16.762 7.260 8.870 213 HA HIS 27 HA HIS 27 -17.249 5.780 7.217 214 HB2 HIS 27 HB2 HIS 27 -16.126 8.002 5.560 215 HB3 HIS 27 HB3 HIS 27 -16.382 6.431 4.816 216 HD1 HIS 27 HD1 HIS 27 -18.078 9.538 5.576 217 HD2 HIS 27 HD2 HIS 27 -19.176 5.567 5.009 218 HE1 HIS 27 HE1 HIS 27 -20.534 9.577 5.055 219 HE2 HIS 27 HE2 HIS 27 -21.114 7.190 4.505 220 HA PRO 28 HA PRO 28 -13.007 4.075 7.676 221 HB2 PRO 28 HB2 PRO 28 -14.388 1.648 8.525 222 HB3 PRO 28 HB3 PRO 28 -13.245 2.643 9.425 223 HG2 PRO 28 HG2 PRO 28 -15.893 2.466 10.036 224 HG3 PRO 28 HG3 PRO 28 -14.892 3.884 10.400 225 HD2 PRO 28 HD2 PRO 28 -16.867 3.466 8.197 226 HD3 PRO 28 HD3 PRO 28 -16.509 4.933 9.131 227 H ASN 29 H ASN 29 -15.922 3.128 6.120 228 HA ASN 29 HA ASN 29 -14.882 0.861 4.710 229 HB2 ASN 29 HB2 ASN 29 -17.041 0.864 3.532 230 HB3 ASN 29 HB3 ASN 29 -17.251 0.957 5.275 231 HD21 ASN 29 HD21 ASN 29 -19.021 1.731 3.061 232 HD22 ASN 29 HD22 ASN 29 -19.406 3.401 3.330 233 H ILE 30 H ILE 30 -15.037 4.283 4.125 234 HA ILE 30 HA ILE 30 -14.736 4.161 1.302 235 HB ILE 30 HB ILE 30 -14.090 6.351 3.273 236 HG12 ILE 30 HG12 ILE 30 -16.305 5.966 1.250 237 HG13 ILE 30 HG13 ILE 30 -16.460 5.898 3.001 238 HG21 ILE 30 HG21 ILE 30 -12.590 6.550 1.348 239 HG22 ILE 30 HG22 ILE 30 -13.780 7.851 1.376 240 HG23 ILE 30 HG23 ILE 30 -13.981 6.499 0.262 241 HD11 ILE 30 HD11 ILE 30 -15.769 8.330 1.367 242 HD12 ILE 30 HD12 ILE 30 -15.872 8.278 3.127 243 HD13 ILE 30 HD13 ILE 30 -17.312 7.991 2.150 244 H VAL 31 H VAL 31 -12.418 4.554 3.967 245 HA VAL 31 HA VAL 31 -10.172 4.575 2.211 246 HB VAL 31 HB VAL 31 -10.138 5.673 4.437 247 HG11 VAL 31 HG11 VAL 31 -9.960 2.864 5.512 248 HG12 VAL 31 HG12 VAL 31 -11.319 3.968 5.718 249 HG13 VAL 31 HG13 VAL 31 -9.757 4.348 6.445 250 HG21 VAL 31 HG21 VAL 31 -7.845 4.968 5.025 251 HG22 VAL 31 HG22 VAL 31 -8.062 5.236 3.297 252 HG23 VAL 31 HG23 VAL 31 -8.015 3.591 3.936 253 H ARG 32 H ARG 32 -11.901 2.089 3.994 254 HA ARG 32 HA ARG 32 -10.062 -0.010 3.630 255 HB2 ARG 32 HB2 ARG 32 -12.771 0.274 4.527 256 HB3 ARG 32 HB3 ARG 32 -12.674 -1.083 3.413 257 HG2 ARG 32 HG2 ARG 32 -10.850 -0.741 5.780 258 HG3 ARG 32 HG3 ARG 32 -12.358 -1.652 5.826 259 HD2 ARG 32 HD2 ARG 32 -11.532 -3.160 4.113 260 HD3 ARG 32 HD3 ARG 32 -10.043 -2.227 3.973 261 HE ARG 32 HE ARG 32 -10.165 -2.932 6.612 262 HH11 ARG 32 HH11 ARG 32 -10.112 -4.668 3.567 263 HH12 ARG 32 HH12 ARG 32 -9.518 -6.144 4.281 264 HH21 ARG 32 HH21 ARG 32 -9.305 -4.850 7.531 265 HH22 ARG 32 HH22 ARG 32 -9.023 -6.228 6.519 266 H SER 33 H SER 33 -12.578 1.316 1.552 267 HA SER 33 HA SER 33 -12.347 -0.589 -0.519 268 HB2 SER 33 HB2 SER 33 -13.216 2.311 -0.649 269 HB3 SER 33 HB3 SER 33 -13.468 1.116 -1.922 270 HG SER 33 HG SER 33 -14.626 1.243 0.658 271 H ARG 34 H ARG 34 -10.484 2.239 0.343 272 HA ARG 34 HA ARG 34 -8.982 2.361 -2.090 273 HB2 ARG 34 HB2 ARG 34 -9.156 4.284 -0.555 274 HB3 ARG 34 HB3 ARG 34 -8.265 3.385 0.662 275 HG2 ARG 34 HG2 ARG 34 -6.320 3.315 -0.786 276 HG3 ARG 34 HG3 ARG 34 -7.212 4.174 -2.045 277 HD2 ARG 34 HD2 ARG 34 -7.472 6.086 -0.545 278 HD3 ARG 34 HD3 ARG 34 -6.572 5.228 0.705 279 HE ARG 34 HE ARG 34 -5.062 5.379 -1.690 280 HH11 ARG 34 HH11 ARG 34 -6.165 7.336 0.991 281 HH12 ARG 34 HH12 ARG 34 -4.781 8.391 0.966 282 HH21 ARG 34 HH21 ARG 34 -3.240 6.760 -1.755 283 HH22 ARG 34 HH22 ARG 34 -3.127 8.084 -0.617 284 H ILE 35 H ILE 35 -8.477 0.902 1.094 285 HA ILE 35 HA ILE 35 -5.926 -0.128 0.682 286 HB ILE 35 HB ILE 35 -8.165 -1.445 2.237 287 HG12 ILE 35 HG12 ILE 35 -6.082 0.541 3.174 288 HG13 ILE 35 HG13 ILE 35 -7.777 0.919 2.892 289 HG21 ILE 35 HG21 ILE 35 -6.271 -2.926 1.869 290 HG22 ILE 35 HG22 ILE 35 -6.355 -2.437 3.562 291 HG23 ILE 35 HG23 ILE 35 -5.170 -1.696 2.487 292 HD11 ILE 35 HD11 ILE 35 -8.418 -0.637 4.659 293 HD12 ILE 35 HD12 ILE 35 -7.329 0.616 5.257 294 HD13 ILE 35 HD13 ILE 35 -6.718 -1.010 4.946 295 H GLU 36 H GLU 36 -9.075 -1.562 0.060 296 HA GLU 36 HA GLU 36 -8.265 -4.030 -0.997 297 HB2 GLU 36 HB2 GLU 36 -10.727 -2.349 -1.027 298 HB3 GLU 36 HB3 GLU 36 -10.638 -3.660 -2.187 299 HG2 GLU 36 HG2 GLU 36 -11.578 -3.817 0.380 300 HG3 GLU 36 HG3 GLU 36 -11.138 -5.166 -0.645 301 H LYS 37 H LYS 37 -8.198 -0.886 -2.453 302 HA LYS 37 HA LYS 37 -8.221 -2.068 -5.139 303 HB2 LYS 37 HB2 LYS 37 -10.023 -0.554 -4.910 304 HB3 LYS 37 HB3 LYS 37 -9.017 0.645 -4.118 305 HG2 LYS 37 HG2 LYS 37 -8.159 -0.038 -6.829 306 HG3 LYS 37 HG3 LYS 37 -9.759 0.698 -6.723 307 HD2 LYS 37 HD2 LYS 37 -7.241 1.821 -5.503 308 HD3 LYS 37 HD3 LYS 37 -7.971 2.365 -7.009 309 HE2 LYS 37 HE2 LYS 37 -9.984 3.036 -5.821 310 HE3 LYS 37 HE3 LYS 37 -9.313 2.428 -4.309 311 HZ1 LYS 37 HZ1 LYS 37 -8.347 4.731 -5.911 312 HZ2 LYS 37 HZ2 LYS 37 -7.470 4.055 -4.622 313 HZ3 LYS 37 HZ3 LYS 37 -8.991 4.760 -4.342 314 H ASP 38 H ASP 38 -6.542 0.292 -3.108 315 HA ASP 38 HA ASP 38 -4.539 0.866 -5.107 316 HB2 ASP 38 HB2 ASP 38 -5.077 1.757 -2.298 317 HB3 ASP 38 HB3 ASP 38 -3.478 2.009 -2.971 318 H ILE 39 H ILE 39 -4.387 -0.452 -1.810 319 HA ILE 39 HA ILE 39 -1.623 -1.141 -2.121 320 HB ILE 39 HB ILE 39 -3.512 -1.804 0.141 321 HG12 ILE 39 HG12 ILE 39 -1.565 0.495 -0.147 322 HG13 ILE 39 HG13 ILE 39 -3.315 0.621 -0.285 323 HG21 ILE 39 HG21 ILE 39 -1.547 -3.225 0.145 324 HG22 ILE 39 HG22 ILE 39 -1.468 -2.069 1.474 325 HG23 ILE 39 HG23 ILE 39 -0.498 -1.812 0.022 326 HD11 ILE 39 HD11 ILE 39 -1.772 -0.169 2.175 327 HD12 ILE 39 HD12 ILE 39 -3.531 -0.112 2.046 328 HD13 ILE 39 HD13 ILE 39 -2.586 1.369 1.887 329 H LYS 40 H LYS 40 -4.608 -3.025 -1.635 330 HA LYS 40 HA LYS 40 -3.141 -5.380 -2.589 331 HB2 LYS 40 HB2 LYS 40 -4.797 -6.518 -0.770 332 HB3 LYS 40 HB3 LYS 40 -3.132 -6.076 -0.449 333 HG2 LYS 40 HG2 LYS 40 -3.908 -4.889 1.257 334 HG3 LYS 40 HG3 LYS 40 -4.505 -3.747 0.056 335 HD2 LYS 40 HD2 LYS 40 -6.341 -4.221 1.444 336 HD3 LYS 40 HD3 LYS 40 -6.610 -5.158 -0.027 337 HE2 LYS 40 HE2 LYS 40 -5.976 -7.168 1.022 338 HE3 LYS 40 HE3 LYS 40 -5.271 -6.320 2.396 339 HZ1 LYS 40 HZ1 LYS 40 -7.474 -5.617 3.054 340 HZ2 LYS 40 HZ2 LYS 40 -7.414 -7.300 2.942 341 HZ3 LYS 40 HZ3 LYS 40 -8.161 -6.391 1.716 342 HA PRO 41 HA PRO 41 -7.164 -5.128 -4.858 343 HB2 PRO 41 HB2 PRO 41 -6.074 -5.422 -7.335 344 HB3 PRO 41 HB3 PRO 41 -6.333 -3.852 -6.566 345 HG2 PRO 41 HG2 PRO 41 -3.824 -5.441 -6.836 346 HG3 PRO 41 HG3 PRO 41 -4.060 -3.686 -6.921 347 HD2 PRO 41 HD2 PRO 41 -3.083 -4.997 -4.721 348 HD3 PRO 41 HD3 PRO 41 -3.929 -3.439 -4.654 349 H ALA 42 H ALA 42 -4.343 -7.103 -5.837 350 HA ALA 42 HA ALA 42 -5.935 -9.496 -5.332 351 HB1 ALA 42 HB1 ALA 42 -5.334 -10.493 -7.478 352 HB2 ALA 42 HB2 ALA 42 -4.514 -9.003 -7.946 353 HB3 ALA 42 HB3 ALA 42 -6.261 -9.010 -7.703 354 H ILE 43 H ILE 43 -3.363 -7.950 -4.462 355 HA ILE 43 HA ILE 43 -1.521 -10.238 -4.616 356 HB ILE 43 HB ILE 43 0.233 -8.547 -3.938 357 HG12 ILE 43 HG12 ILE 43 -1.822 -6.529 -4.835 358 HG13 ILE 43 HG13 ILE 43 -1.512 -6.879 -3.138 359 HG21 ILE 43 HG21 ILE 43 0.480 -7.659 -6.210 360 HG22 ILE 43 HG22 ILE 43 -1.178 -8.142 -6.571 361 HG23 ILE 43 HG23 ILE 43 0.040 -9.366 -6.215 362 HD11 ILE 43 HD11 ILE 43 -0.323 -4.888 -3.886 363 HD12 ILE 43 HD12 ILE 43 0.500 -5.837 -5.125 364 HD13 ILE 43 HD13 ILE 43 0.804 -6.162 -3.417 365 H GLY 44 H GLY 44 -3.823 -9.442 -2.685 366 HA2 GLY 44 HA2 GLY 44 -2.621 -8.910 -0.168 367 HA3 GLY 44 HA3 GLY 44 -4.251 -9.506 -0.433 368 H SER 45 H SER 45 -2.833 -11.770 -2.017 369 HA SER 45 HA SER 45 -2.643 -13.585 0.205 370 HB2 SER 45 HB2 SER 45 -2.026 -14.101 -2.714 371 HB3 SER 45 HB3 SER 45 -2.379 -15.306 -1.476 372 HG SER 45 HG SER 45 -4.475 -14.146 -1.276 373 H LEU 46 H LEU 46 -0.530 -11.485 -1.326 374 HA LEU 46 HA LEU 46 1.832 -13.146 -1.025 375 HB2 LEU 46 HB2 LEU 46 1.365 -10.387 -2.135 376 HB3 LEU 46 HB3 LEU 46 2.981 -10.993 -1.837 377 HG LEU 46 HG LEU 46 2.522 -12.874 -3.400 378 HD11 LEU 46 HD11 LEU 46 -0.015 -11.349 -3.968 379 HD12 LEU 46 HD12 LEU 46 0.109 -12.972 -3.285 380 HD13 LEU 46 HD13 LEU 46 0.621 -12.670 -4.946 381 HD21 LEU 46 HD21 LEU 46 3.707 -10.878 -4.129 382 HD22 LEU 46 HD22 LEU 46 2.174 -10.113 -4.549 383 HD23 LEU 46 HD23 LEU 46 2.718 -11.543 -5.429 384 H LYS 47 H LYS 47 3.340 -12.939 0.526 385 HA LYS 47 HA LYS 47 2.584 -11.477 2.892 386 HB2 LYS 47 HB2 LYS 47 4.972 -13.225 2.299 387 HB3 LYS 47 HB3 LYS 47 4.646 -12.495 3.865 388 HG2 LYS 47 HG2 LYS 47 2.560 -13.732 4.022 389 HG3 LYS 47 HG3 LYS 47 2.855 -14.444 2.436 390 HD2 LYS 47 HD2 LYS 47 4.566 -14.793 4.894 391 HD3 LYS 47 HD3 LYS 47 3.473 -15.990 4.202 392 HE2 LYS 47 HE2 LYS 47 4.869 -15.686 2.053 393 HE3 LYS 47 HE3 LYS 47 6.061 -14.946 3.118 394 HZ1 LYS 47 HZ1 LYS 47 6.054 -16.993 4.447 395 HZ2 LYS 47 HZ2 LYS 47 6.538 -17.276 2.847 396 HZ3 LYS 47 HZ3 LYS 47 4.976 -17.699 3.343 397 H VAL 48 H VAL 48 4.678 -10.533 4.093 398 HA VAL 48 HA VAL 48 5.126 -8.077 2.725 399 HB VAL 48 HB VAL 48 6.679 -8.987 5.138 400 HG11 VAL 48 HG11 VAL 48 7.377 -6.891 4.105 401 HG12 VAL 48 HG12 VAL 48 6.667 -6.612 5.696 402 HG13 VAL 48 HG13 VAL 48 5.732 -6.272 4.240 403 HG21 VAL 48 HG21 VAL 48 3.894 -7.832 5.098 404 HG22 VAL 48 HG22 VAL 48 4.876 -8.097 6.538 405 HG23 VAL 48 HG23 VAL 48 4.333 -9.471 5.575 406 H GLU 49 H GLU 49 6.924 -11.021 3.025 407 HA GLU 49 HA GLU 49 9.398 -9.936 2.021 408 HB2 GLU 49 HB2 GLU 49 8.437 -12.763 2.488 409 HB3 GLU 49 HB3 GLU 49 10.032 -12.379 1.860 410 HG2 GLU 49 HG2 GLU 49 9.011 -11.359 4.497 411 HG3 GLU 49 HG3 GLU 49 9.911 -12.865 4.314 412 H ASP 50 H ASP 50 6.453 -10.885 0.665 413 HA ASP 50 HA ASP 50 7.709 -11.764 -1.846 414 HB2 ASP 50 HB2 ASP 50 6.202 -13.374 -0.628 415 HB3 ASP 50 HB3 ASP 50 4.868 -12.279 -0.968 416 H VAL 51 H VAL 51 6.003 -9.191 -0.461 417 HA VAL 51 HA VAL 51 4.905 -8.254 -2.963 418 HB VAL 51 HB VAL 51 3.689 -7.634 -0.988 419 HG11 VAL 51 HG11 VAL 51 5.497 -7.701 0.640 420 HG12 VAL 51 HG12 VAL 51 4.588 -6.195 0.754 421 HG13 VAL 51 HG13 VAL 51 6.166 -6.213 -0.032 422 HG21 VAL 51 HG21 VAL 51 3.555 -5.202 -1.260 423 HG22 VAL 51 HG22 VAL 51 3.653 -6.033 -2.813 424 HG23 VAL 51 HG23 VAL 51 5.075 -5.223 -2.155 425 H LYS 52 H LYS 52 6.623 -8.222 -4.309 426 HA LYS 52 HA LYS 52 9.039 -6.788 -3.559 427 HB2 LYS 52 HB2 LYS 52 8.608 -8.334 -6.111 428 HB3 LYS 52 HB3 LYS 52 10.114 -8.035 -5.244 429 HG2 LYS 52 HG2 LYS 52 9.170 -9.414 -3.366 430 HG3 LYS 52 HG3 LYS 52 7.866 -9.863 -4.450 431 HD2 LYS 52 HD2 LYS 52 9.490 -10.842 -5.991 432 HD3 LYS 52 HD3 LYS 52 10.801 -10.396 -4.893 433 HE2 LYS 52 HE2 LYS 52 9.784 -11.774 -3.134 434 HE3 LYS 52 HE3 LYS 52 8.495 -12.231 -4.242 435 HZ1 LYS 52 HZ1 LYS 52 10.096 -13.970 -4.164 436 HZ2 LYS 52 HZ2 LYS 52 11.376 -12.902 -4.478 437 HZ3 LYS 52 HZ3 LYS 52 10.224 -13.226 -5.683 438 HA PRO 53 HA PRO 53 8.897 -2.986 -5.619 439 HB2 PRO 53 HB2 PRO 53 10.678 -4.138 -7.737 440 HB3 PRO 53 HB3 PRO 53 10.775 -2.572 -6.921 441 HG2 PRO 53 HG2 PRO 53 12.324 -4.601 -6.163 442 HG3 PRO 53 HG3 PRO 53 11.624 -3.491 -4.970 443 HD2 PRO 53 HD2 PRO 53 10.938 -6.304 -5.553 444 HD3 PRO 53 HD3 PRO 53 10.697 -5.367 -4.067 445 H ARG 54 H ARG 54 8.827 -5.525 -8.177 446 HA ARG 54 HA ARG 54 7.625 -3.838 -10.082 447 HB2 ARG 54 HB2 ARG 54 7.265 -5.782 -11.435 448 HB3 ARG 54 HB3 ARG 54 8.824 -5.932 -10.641 449 HG2 ARG 54 HG2 ARG 54 7.959 -7.520 -9.088 450 HG3 ARG 54 HG3 ARG 54 6.311 -7.253 -9.661 451 HD2 ARG 54 HD2 ARG 54 7.108 -9.289 -10.620 452 HD3 ARG 54 HD3 ARG 54 7.027 -8.077 -11.897 453 HE ARG 54 HE ARG 54 9.566 -8.708 -10.546 454 HH11 ARG 54 HH11 ARG 54 7.687 -8.238 -13.453 455 HH12 ARG 54 HH12 ARG 54 9.001 -8.636 -14.526 456 HH21 ARG 54 HH21 ARG 54 11.303 -9.191 -11.920 457 HH22 ARG 54 HH22 ARG 54 11.068 -9.196 -13.645 458 H HIS 55 H HIS 55 6.220 -5.644 -7.468 459 HA HIS 55 HA HIS 55 3.551 -5.705 -8.498 460 HB2 HIS 55 HB2 HIS 55 4.310 -5.651 -5.574 461 HB3 HIS 55 HB3 HIS 55 2.824 -6.266 -6.275 462 HD1 HIS 55 HD1 HIS 55 4.932 -7.794 -8.506 463 HD2 HIS 55 HD2 HIS 55 4.420 -8.269 -4.405 464 HE1 HIS 55 HE1 HIS 55 5.967 -10.024 -7.935 465 HE2 HIS 55 HE2 HIS 55 5.591 -10.313 -5.462 466 H ILE 56 H ILE 56 5.469 -3.468 -6.623 467 HA ILE 56 HA ILE 56 3.389 -1.683 -5.892 468 HB ILE 56 HB ILE 56 6.341 -1.103 -6.215 469 HG12 ILE 56 HG12 ILE 56 5.995 -2.970 -4.685 470 HG13 ILE 56 HG13 ILE 56 6.491 -1.539 -3.789 471 HG21 ILE 56 HG21 ILE 56 4.211 0.344 -4.646 472 HG22 ILE 56 HG22 ILE 56 5.024 0.924 -6.099 473 HG23 ILE 56 HG23 ILE 56 5.936 0.708 -4.605 474 HD11 ILE 56 HD11 ILE 56 3.669 -2.564 -4.028 475 HD12 ILE 56 HD12 ILE 56 4.194 -1.161 -3.095 476 HD13 ILE 56 HD13 ILE 56 4.735 -2.775 -2.639 477 H ASP 57 H ASP 57 5.615 -1.883 -8.616 478 HA ASP 57 HA ASP 57 4.875 0.535 -9.867 479 HB2 ASP 57 HB2 ASP 57 6.873 -0.594 -10.596 480 HB3 ASP 57 HB3 ASP 57 5.972 -2.054 -10.988 481 H ASP 58 H ASP 58 3.671 -2.773 -10.151 482 HA ASP 58 HA ASP 58 1.794 -2.300 -12.170 483 HB2 ASP 58 HB2 ASP 58 2.012 -4.397 -10.043 484 HB3 ASP 58 HB3 ASP 58 0.587 -4.325 -11.076 485 H VAL 59 H VAL 59 1.365 -2.244 -8.622 486 HA VAL 59 HA VAL 59 -1.409 -1.726 -8.781 487 HB VAL 59 HB VAL 59 -1.294 -1.054 -6.407 488 HG11 VAL 59 HG11 VAL 59 -1.541 -3.388 -6.998 489 HG12 VAL 59 HG12 VAL 59 -0.556 -3.227 -5.544 490 HG13 VAL 59 HG13 VAL 59 0.209 -3.574 -7.096 491 HG21 VAL 59 HG21 VAL 59 0.794 -1.201 -5.173 492 HG22 VAL 59 HG22 VAL 59 0.895 0.042 -6.420 493 HG23 VAL 59 HG23 VAL 59 1.674 -1.521 -6.668 494 H LEU 60 H LEU 60 1.381 0.456 -8.469 495 HA LEU 60 HA LEU 60 -0.159 2.833 -8.232 496 HB2 LEU 60 HB2 LEU 60 2.674 2.387 -9.193 497 HB3 LEU 60 HB3 LEU 60 1.974 3.969 -8.923 498 HG LEU 60 HG LEU 60 2.455 1.845 -6.833 499 HD11 LEU 60 HD11 LEU 60 4.483 2.969 -7.587 500 HD12 LEU 60 HD12 LEU 60 4.075 3.435 -5.937 501 HD13 LEU 60 HD13 LEU 60 3.740 4.538 -7.273 502 HD21 LEU 60 HD21 LEU 60 1.309 4.621 -6.517 503 HD22 LEU 60 HD22 LEU 60 1.695 3.500 -5.211 504 HD23 LEU 60 HD23 LEU 60 0.413 3.111 -6.357 505 H LYS 61 H LYS 61 1.175 1.084 -10.978 506 HA LYS 61 HA LYS 61 0.442 2.977 -12.948 507 HB2 LYS 61 HB2 LYS 61 2.104 1.448 -13.555 508 HB3 LYS 61 HB3 LYS 61 1.202 0.074 -12.946 509 HG2 LYS 61 HG2 LYS 61 0.031 1.534 -15.234 510 HG3 LYS 61 HG3 LYS 61 1.496 0.596 -15.536 511 HD2 LYS 61 HD2 LYS 61 -1.121 -0.398 -14.413 512 HD3 LYS 61 HD3 LYS 61 -0.398 -0.808 -15.965 513 HE2 LYS 61 HE2 LYS 61 0.754 -1.483 -13.259 514 HE3 LYS 61 HE3 LYS 61 -0.120 -2.601 -14.303 515 HZ1 LYS 61 HZ1 LYS 61 2.333 -2.799 -14.413 516 HZ2 LYS 61 HZ2 LYS 61 2.405 -1.242 -15.089 517 HZ3 LYS 61 HZ3 LYS 61 1.609 -2.489 -15.913 518 H ALA 62 H ALA 62 -1.271 0.361 -11.370 519 HA ALA 62 HA ALA 62 -3.497 0.428 -13.186 520 HB1 ALA 62 HB1 ALA 62 -4.550 -1.128 -11.658 521 HB2 ALA 62 HB2 ALA 62 -3.328 -0.794 -10.432 522 HB3 ALA 62 HB3 ALA 62 -2.873 -1.604 -11.932 523 H VAL 63 H VAL 63 -2.778 1.812 -9.988 524 HA VAL 63 HA VAL 63 -5.431 2.796 -9.611 525 HB VAL 63 HB VAL 63 -4.522 4.120 -7.745 526 HG11 VAL 63 HG11 VAL 63 -5.202 1.824 -7.382 527 HG12 VAL 63 HG12 VAL 63 -3.822 2.230 -6.361 528 HG13 VAL 63 HG13 VAL 63 -3.589 1.260 -7.816 529 HG21 VAL 63 HG21 VAL 63 -2.354 4.700 -8.674 530 HG22 VAL 63 HG22 VAL 63 -1.850 3.013 -8.583 531 HG23 VAL 63 HG23 VAL 63 -2.175 3.918 -7.103 532 H MET 64 H MET 64 -2.619 4.042 -11.238 533 HA MET 64 HA MET 64 -3.540 6.759 -11.234 534 HB2 MET 64 HB2 MET 64 -1.688 7.233 -12.731 535 HB3 MET 64 HB3 MET 64 -1.143 6.231 -11.398 536 HG2 MET 64 HG2 MET 64 -0.068 5.325 -13.224 537 HG3 MET 64 HG3 MET 64 -1.461 4.268 -13.021 538 HE1 MET 64 HE1 MET 64 0.063 7.251 -15.082 539 HE2 MET 64 HE2 MET 64 -1.480 7.906 -14.533 540 HE3 MET 64 HE3 MET 64 -1.224 7.567 -16.245 541 H LYS 65 H LYS 65 -4.096 3.980 -13.218 542 HA LYS 65 HA LYS 65 -5.108 5.585 -15.415 543 HB2 LYS 65 HB2 LYS 65 -5.443 3.488 -16.587 544 HB3 LYS 65 HB3 LYS 65 -3.827 3.567 -15.918 545 HG2 LYS 65 HG2 LYS 65 -4.412 2.054 -14.161 546 HG3 LYS 65 HG3 LYS 65 -6.106 2.069 -14.659 547 HD2 LYS 65 HD2 LYS 65 -4.935 0.055 -15.434 548 HD3 LYS 65 HD3 LYS 65 -5.522 1.038 -16.774 549 HE2 LYS 65 HE2 LYS 65 -3.276 1.984 -17.053 550 HE3 LYS 65 HE3 LYS 65 -2.695 0.986 -15.721 551 HZ1 LYS 65 HZ1 LYS 65 -3.857 -0.062 -18.246 552 HZ2 LYS 65 HZ2 LYS 65 -3.192 -0.985 -16.988 553 HZ3 LYS 65 HZ3 LYS 65 -2.197 0.034 -17.909 554 H ARG 66 H ARG 66 -6.328 3.462 -12.892 555 HA ARG 66 HA ARG 66 -9.051 3.677 -13.807 556 HB2 ARG 66 HB2 ARG 66 -9.656 2.437 -11.806 557 HB3 ARG 66 HB3 ARG 66 -8.290 1.672 -12.601 558 HG2 ARG 66 HG2 ARG 66 -6.843 2.171 -10.915 559 HG3 ARG 66 HG3 ARG 66 -7.724 3.625 -10.443 560 HD2 ARG 66 HD2 ARG 66 -7.914 1.877 -8.749 561 HD3 ARG 66 HD3 ARG 66 -9.478 2.267 -9.457 562 HE ARG 66 HE ARG 66 -7.920 -0.119 -10.224 563 HH11 ARG 66 HH11 ARG 66 -10.930 1.461 -9.377 564 HH12 ARG 66 HH12 ARG 66 -11.891 0.024 -9.580 565 HH21 ARG 66 HH21 ARG 66 -9.174 -2.031 -10.424 566 HH22 ARG 66 HH22 ARG 66 -10.893 -1.960 -10.133 567 H GLY 67 H GLY 67 -6.989 5.542 -11.799 568 HA2 GLY 67 HA2 GLY 67 -9.320 7.121 -10.922 569 HA3 GLY 67 HA3 GLY 67 -8.020 6.730 -9.809 570 H ALA 68 H ALA 68 -5.966 7.681 -10.116 571 HA ALA 68 HA ALA 68 -5.494 9.686 -12.089 572 HB1 ALA 68 HB1 ALA 68 -5.517 11.640 -10.626 573 HB2 ALA 68 HB2 ALA 68 -6.114 10.651 -9.293 574 HB3 ALA 68 HB3 ALA 68 -7.119 10.913 -10.719 575 HA PRO 69 HA PRO 69 -1.403 8.715 -10.928 576 HB2 PRO 69 HB2 PRO 69 -0.595 11.414 -11.770 577 HB3 PRO 69 HB3 PRO 69 -0.175 9.845 -12.454 578 HG2 PRO 69 HG2 PRO 69 -1.821 11.554 -13.720 579 HG3 PRO 69 HG3 PRO 69 -2.001 9.795 -13.841 580 HD2 PRO 69 HD2 PRO 69 -3.545 11.755 -12.198 581 HD3 PRO 69 HD3 PRO 69 -4.115 10.325 -13.084 582 H SER 70 H SER 70 -2.811 11.730 -9.845 583 HA SER 70 HA SER 70 -0.868 12.448 -7.936 584 HB2 SER 70 HB2 SER 70 -3.835 13.048 -7.865 585 HB3 SER 70 HB3 SER 70 -2.551 13.961 -7.071 586 HG SER 70 HG SER 70 -2.840 15.081 -8.889 587 H ILE 71 H ILE 71 -3.489 10.151 -7.900 588 HA ILE 71 HA ILE 71 -3.623 9.818 -5.073 589 HB ILE 71 HB ILE 71 -4.435 7.869 -7.246 590 HG12 ILE 71 HG12 ILE 71 -6.093 9.902 -5.731 591 HG13 ILE 71 HG13 ILE 71 -5.565 10.073 -7.401 592 HG21 ILE 71 HG21 ILE 71 -5.855 6.859 -5.532 593 HG22 ILE 71 HG22 ILE 71 -5.239 8.001 -4.336 594 HG23 ILE 71 HG23 ILE 71 -4.158 6.807 -5.056 595 HD11 ILE 71 HD11 ILE 71 -7.416 7.956 -6.332 596 HD12 ILE 71 HD12 ILE 71 -6.869 8.091 -8.002 597 HD13 ILE 71 HD13 ILE 71 -7.871 9.362 -7.298 598 H ALA 72 H ALA 72 -1.926 8.175 -7.693 599 HA ALA 72 HA ALA 72 -0.741 6.121 -6.210 600 HB1 ALA 72 HB1 ALA 72 0.839 5.924 -8.046 601 HB2 ALA 72 HB2 ALA 72 0.361 7.512 -8.648 602 HB3 ALA 72 HB3 ALA 72 -0.792 6.178 -8.661 603 H ASN 73 H ASN 73 0.195 9.468 -6.697 604 HA ASN 73 HA ASN 73 2.796 9.361 -5.658 605 HB2 ASN 73 HB2 ASN 73 2.033 11.260 -6.923 606 HB3 ASN 73 HB3 ASN 73 0.738 11.569 -5.776 607 HD21 ASN 73 HD21 ASN 73 1.324 13.604 -5.323 608 HD22 ASN 73 HD22 ASN 73 2.767 14.012 -4.467 609 H ASP 74 H ASP 74 -0.313 10.111 -4.120 610 HA ASP 74 HA ASP 74 0.779 10.487 -1.523 611 HB2 ASP 74 HB2 ASP 74 -1.348 11.497 -2.128 612 HB3 ASP 74 HB3 ASP 74 -2.054 9.906 -2.407 613 H THR 75 H THR 75 -0.824 7.760 -3.131 614 HA THR 75 HA THR 75 -0.864 6.022 -0.934 615 HB THR 75 HB THR 75 -0.681 5.337 -3.877 616 HG1 THR 75 HG1 THR 75 -2.998 5.096 -3.605 617 HG21 THR 75 HG21 THR 75 -1.554 3.638 -1.532 618 HG22 THR 75 HG22 THR 75 -0.096 3.405 -2.496 619 HG23 THR 75 HG23 THR 75 -1.683 3.183 -3.233 620 H LEU 76 H LEU 76 1.696 6.771 -3.242 621 HA LEU 76 HA LEU 76 3.471 4.700 -2.593 622 HB2 LEU 76 HB2 LEU 76 3.667 6.345 -4.491 623 HB3 LEU 76 HB3 LEU 76 4.212 7.536 -3.329 624 HG LEU 76 HG LEU 76 5.692 4.940 -3.602 625 HD11 LEU 76 HD11 LEU 76 7.115 5.947 -5.301 626 HD12 LEU 76 HD12 LEU 76 6.080 7.375 -5.337 627 HD13 LEU 76 HD13 LEU 76 5.451 5.816 -5.874 628 HD21 LEU 76 HD21 LEU 76 6.536 7.747 -2.886 629 HD22 LEU 76 HD22 LEU 76 7.589 6.333 -2.931 630 HD23 LEU 76 HD23 LEU 76 6.280 6.420 -1.752 631 H ARG 77 H ARG 77 2.992 7.893 -1.131 632 HA ARG 77 HA ARG 77 5.016 7.675 0.837 633 HB2 ARG 77 HB2 ARG 77 2.417 9.220 0.972 634 HB3 ARG 77 HB3 ARG 77 3.823 9.480 1.993 635 HG2 ARG 77 HG2 ARG 77 5.116 10.201 0.076 636 HG3 ARG 77 HG3 ARG 77 3.746 9.875 -0.991 637 HD2 ARG 77 HD2 ARG 77 2.415 11.523 0.284 638 HD3 ARG 77 HD3 ARG 77 3.843 11.892 1.248 639 HE ARG 77 HE ARG 77 4.768 12.376 -1.185 640 HH11 ARG 77 HH11 ARG 77 1.715 13.250 0.272 641 HH12 ARG 77 HH12 ARG 77 1.522 14.695 -0.677 642 HH21 ARG 77 HH21 ARG 77 4.546 14.260 -2.437 643 HH22 ARG 77 HH22 ARG 77 3.155 15.277 -2.217 644 H TRP 78 H TRP 78 1.584 6.890 0.795 645 HA TRP 78 HA TRP 78 1.238 6.086 3.445 646 HB2 TRP 78 HB2 TRP 78 -0.530 6.454 1.665 647 HB3 TRP 78 HB3 TRP 78 -0.113 4.871 1.025 648 HD1 TRP 78 HD1 TRP 78 -0.831 2.723 2.514 649 HE1 TRP 78 HE1 TRP 78 -2.670 2.454 4.294 650 HE3 TRP 78 HE3 TRP 78 -1.705 7.662 3.538 651 HZ2 TRP 78 HZ2 TRP 78 -4.271 4.117 5.924 652 HZ3 TRP 78 HZ3 TRP 78 -3.403 8.234 5.224 653 HH2 TRP 78 HH2 TRP 78 -4.660 6.496 6.393 654 H LEU 79 H LEU 79 2.181 4.202 0.584 655 HA LEU 79 HA LEU 79 2.397 1.700 1.826 656 HB2 LEU 79 HB2 LEU 79 3.932 2.797 -0.530 657 HB3 LEU 79 HB3 LEU 79 3.876 1.107 -0.070 658 HG LEU 79 HG LEU 79 1.510 2.753 -0.965 659 HD11 LEU 79 HD11 LEU 79 1.586 1.365 -2.982 660 HD12 LEU 79 HD12 LEU 79 3.072 0.610 -2.401 661 HD13 LEU 79 HD13 LEU 79 3.050 2.329 -2.793 662 HD21 LEU 79 HD21 LEU 79 1.750 -0.180 -0.308 663 HD22 LEU 79 HD22 LEU 79 0.334 0.592 -1.022 664 HD23 LEU 79 HD23 LEU 79 0.852 1.031 0.606 665 H LYS 80 H LYS 80 4.749 4.326 1.468 666 HA LYS 80 HA LYS 80 6.971 2.874 2.398 667 HB2 LYS 80 HB2 LYS 80 7.288 4.899 1.131 668 HB3 LYS 80 HB3 LYS 80 6.385 5.837 2.309 669 HG2 LYS 80 HG2 LYS 80 8.818 4.408 3.228 670 HG3 LYS 80 HG3 LYS 80 9.014 5.860 2.243 671 HD2 LYS 80 HD2 LYS 80 7.289 5.747 4.709 672 HD3 LYS 80 HD3 LYS 80 8.979 6.229 4.729 673 HE2 LYS 80 HE2 LYS 80 6.892 7.558 3.018 674 HE3 LYS 80 HE3 LYS 80 7.327 8.116 4.632 675 HZ1 LYS 80 HZ1 LYS 80 9.131 7.943 2.275 676 HZ2 LYS 80 HZ2 LYS 80 9.631 8.360 3.840 677 HZ3 LYS 80 HZ3 LYS 80 8.547 9.361 3.005 678 H ARG 81 H ARG 81 4.564 4.907 4.018 679 HA ARG 81 HA ARG 81 5.704 4.793 6.600 680 HB2 ARG 81 HB2 ARG 81 2.799 5.105 5.806 681 HB3 ARG 81 HB3 ARG 81 3.438 5.364 7.420 682 HG2 ARG 81 HG2 ARG 81 4.771 7.222 6.645 683 HG3 ARG 81 HG3 ARG 81 4.247 6.935 4.981 684 HD2 ARG 81 HD2 ARG 81 1.984 7.482 5.531 685 HD3 ARG 81 HD3 ARG 81 2.359 7.530 7.252 686 HE ARG 81 HE ARG 81 3.965 9.426 5.948 687 HH11 ARG 81 HH11 ARG 81 0.579 8.852 6.630 688 HH12 ARG 81 HH12 ARG 81 0.167 10.538 6.726 689 HH21 ARG 81 HH21 ARG 81 3.446 11.651 6.127 690 HH22 ARG 81 HH22 ARG 81 1.809 12.130 6.470 691 H MET 82 H MET 82 3.501 2.684 4.867 692 HA MET 82 HA MET 82 2.893 0.972 7.044 693 HB2 MET 82 HB2 MET 82 1.505 1.126 5.015 694 HB3 MET 82 HB3 MET 82 2.804 0.402 4.076 695 HG2 MET 82 HG2 MET 82 2.619 -1.637 5.421 696 HG3 MET 82 HG3 MET 82 1.294 -0.910 6.329 697 HE1 MET 82 HE1 MET 82 2.051 -0.611 2.470 698 HE2 MET 82 HE2 MET 82 1.095 -1.949 1.835 699 HE3 MET 82 HE3 MET 82 2.492 -2.274 2.859 700 H PHE 83 H PHE 83 5.263 0.730 4.387 701 HA PHE 83 HA PHE 83 6.346 -1.745 5.230 702 HB2 PHE 83 HB2 PHE 83 7.498 0.471 3.533 703 HB3 PHE 83 HB3 PHE 83 8.360 -1.028 3.857 704 HD1 PHE 83 HD1 PHE 83 6.369 -3.082 3.642 705 HD2 PHE 83 HD2 PHE 83 6.817 0.468 1.333 706 HE1 PHE 83 HE1 PHE 83 5.221 -4.166 1.751 707 HE2 PHE 83 HE2 PHE 83 5.673 -0.611 -0.556 708 HZ PHE 83 HZ PHE 83 4.872 -2.931 -0.349 709 H ASN 84 H ASN 84 7.210 1.603 5.931 710 HA ASN 84 HA ASN 84 9.453 1.118 7.545 711 HB2 ASN 84 HB2 ASN 84 8.965 3.363 6.834 712 HB3 ASN 84 HB3 ASN 84 7.386 3.324 7.611 713 HD21 ASN 84 HD21 ASN 84 10.803 3.615 8.077 714 HD22 ASN 84 HD22 ASN 84 10.734 4.159 9.715 715 H TYR 85 H TYR 85 6.041 1.382 8.332 716 HA TYR 85 HA TYR 85 6.082 0.961 11.065 717 HB2 TYR 85 HB2 TYR 85 4.099 1.509 9.576 718 HB3 TYR 85 HB3 TYR 85 4.023 -0.203 9.186 719 HD1 TYR 85 HD2 TYR 85 3.872 2.189 12.011 720 HD2 TYR 85 HD1 TYR 85 2.846 -1.686 10.595 721 HE1 TYR 85 HE2 TYR 85 2.479 1.843 14.000 722 HE2 TYR 85 HE1 TYR 85 1.449 -2.049 12.591 723 HH TYR 85 HH TYR 85 0.716 0.539 14.798 724 H ALA 86 H ALA 86 6.184 -1.394 8.439 725 HA ALA 86 HA ALA 86 6.033 -3.706 10.078 726 HB1 ALA 86 HB1 ALA 86 6.736 -4.927 8.084 727 HB2 ALA 86 HB2 ALA 86 7.157 -3.408 7.294 728 HB3 ALA 86 HB3 ALA 86 5.476 -3.756 7.699 729 H ILE 87 H ILE 87 8.681 -1.667 9.019 730 HA ILE 87 HA ILE 87 10.789 -3.423 9.758 731 HB ILE 87 HB ILE 87 10.809 -0.399 9.593 732 HG12 ILE 87 HG12 ILE 87 11.640 -2.485 7.561 733 HG13 ILE 87 HG13 ILE 87 10.171 -1.521 7.479 734 HG21 ILE 87 HG21 ILE 87 13.082 -2.382 9.663 735 HG22 ILE 87 HG22 ILE 87 12.673 -1.205 10.912 736 HG23 ILE 87 HG23 ILE 87 13.250 -0.657 9.339 737 HD11 ILE 87 HD11 ILE 87 12.979 -0.441 7.386 738 HD12 ILE 87 HD12 ILE 87 11.493 0.502 7.258 739 HD13 ILE 87 HD13 ILE 87 11.908 -0.666 6.003 740 H LYS 88 H LYS 88 9.068 -0.837 11.429 741 HA LYS 88 HA LYS 88 10.537 -0.693 13.796 742 HB2 LYS 88 HB2 LYS 88 7.541 -0.442 13.500 743 HB3 LYS 88 HB3 LYS 88 8.524 0.236 14.789 744 HG2 LYS 88 HG2 LYS 88 9.420 1.872 13.421 745 HG3 LYS 88 HG3 LYS 88 9.010 0.994 11.944 746 HD2 LYS 88 HD2 LYS 88 7.560 2.959 12.367 747 HD3 LYS 88 HD3 LYS 88 6.674 1.444 12.254 748 HE2 LYS 88 HE2 LYS 88 6.402 1.333 14.610 749 HE3 LYS 88 HE3 LYS 88 7.534 2.655 14.868 750 HZ1 LYS 88 HZ1 LYS 88 5.277 3.429 15.118 751 HZ2 LYS 88 HZ2 LYS 88 4.867 2.860 13.577 752 HZ3 LYS 88 HZ3 LYS 88 5.958 4.144 13.739 753 H ARG 89 H ARG 89 7.697 -2.646 13.039 754 HA ARG 89 HA ARG 89 7.811 -4.051 15.553 755 HB2 ARG 89 HB2 ARG 89 5.913 -5.375 14.601 756 HB3 ARG 89 HB3 ARG 89 5.651 -3.639 14.651 757 HG2 ARG 89 HG2 ARG 89 6.480 -3.680 12.207 758 HG3 ARG 89 HG3 ARG 89 6.130 -5.408 12.291 759 HD2 ARG 89 HD2 ARG 89 4.153 -3.219 12.940 760 HD3 ARG 89 HD3 ARG 89 4.258 -4.043 11.386 761 HE ARG 89 HE ARG 89 3.450 -6.022 12.407 762 HH11 ARG 89 HH11 ARG 89 3.550 -3.307 14.594 763 HH12 ARG 89 HH12 ARG 89 2.398 -3.982 15.703 764 HH21 ARG 89 HH21 ARG 89 1.892 -6.902 13.810 765 HH22 ARG 89 HH22 ARG 89 1.410 -6.022 15.228 766 H HIS 90 H HIS 90 9.896 -4.295 13.210 767 HA HIS 90 HA HIS 90 11.535 -5.789 12.769 768 HB2 HIS 90 HB2 HIS 90 11.358 -6.103 15.263 769 HB3 HIS 90 HB3 HIS 90 10.339 -7.503 14.953 770 HD1 HIS 90 HD1 HIS 90 11.604 -9.617 15.089 771 HD2 HIS 90 HD2 HIS 90 13.970 -6.493 13.688 772 HE1 HIS 90 HE1 HIS 90 13.896 -10.594 14.763 773 HE2 HIS 90 HE2 HIS 90 15.261 -8.741 13.732 774 H ILE 91 H ILE 91 9.020 -5.977 11.319 775 HA ILE 91 HA ILE 91 8.786 -8.816 10.721 776 HB ILE 91 HB ILE 91 7.494 -6.421 9.404 777 HG12 ILE 91 HG12 ILE 91 6.419 -8.518 11.302 778 HG13 ILE 91 HG13 ILE 91 6.690 -6.819 11.673 779 HG21 ILE 91 HG21 ILE 91 7.754 -8.239 7.803 780 HG22 ILE 91 HG22 ILE 91 6.059 -8.049 8.254 781 HG23 ILE 91 HG23 ILE 91 7.012 -9.364 8.940 782 HD11 ILE 91 HD11 ILE 91 4.711 -7.892 9.682 783 HD12 ILE 91 HD12 ILE 91 4.975 -6.190 10.065 784 HD13 ILE 91 HD13 ILE 91 4.340 -7.284 11.296 785 H ILE 92 H ILE 92 9.873 -5.847 9.123 786 HA ILE 92 HA ILE 92 11.677 -7.497 7.500 787 HB ILE 92 HB ILE 92 11.428 -5.847 5.638 788 HG12 ILE 92 HG12 ILE 92 8.965 -4.969 7.166 789 HG13 ILE 92 HG13 ILE 92 10.442 -4.024 7.011 790 HG21 ILE 92 HG21 ILE 92 9.314 -6.779 4.797 791 HG22 ILE 92 HG22 ILE 92 8.967 -7.401 6.410 792 HG23 ILE 92 HG23 ILE 92 10.358 -8.007 5.512 793 HD11 ILE 92 HD11 ILE 92 10.111 -3.943 4.581 794 HD12 ILE 92 HD12 ILE 92 8.760 -3.236 5.468 795 HD13 ILE 92 HD13 ILE 92 8.610 -4.850 4.771 796 H GLU 93 H GLU 93 13.592 -6.407 6.810 797 HA GLU 93 HA GLU 93 14.357 -4.221 8.619 798 HB2 GLU 93 HB2 GLU 93 15.651 -6.343 8.725 799 HB3 GLU 93 HB3 GLU 93 16.107 -6.121 7.044 800 HG2 GLU 93 HG2 GLU 93 17.283 -4.067 7.634 801 HG3 GLU 93 HG3 GLU 93 16.825 -4.293 9.323 802 H TYR 94 H TYR 94 14.213 -5.252 5.282 803 HA TYR 94 HA TYR 94 14.822 -2.501 4.434 804 HB2 TYR 94 HB2 TYR 94 16.614 -3.952 3.702 805 HB3 TYR 94 HB3 TYR 94 15.467 -5.118 3.057 806 HD1 TYR 94 HD2 TYR 94 16.752 -1.659 2.592 807 HD2 TYR 94 HD1 TYR 94 14.736 -4.969 0.832 808 HE1 TYR 94 HE2 TYR 94 16.887 -0.567 0.390 809 HE2 TYR 94 HE1 TYR 94 14.867 -3.887 -1.371 810 HH TYR 94 HH TYR 94 15.098 -1.613 -2.293 811 H ASN 95 H ASN 95 13.387 -1.552 3.020 812 HA ASN 95 HA ASN 95 10.932 -3.078 2.521 813 HB2 ASN 95 HB2 ASN 95 9.795 -0.935 2.281 814 HB3 ASN 95 HB3 ASN 95 10.659 -0.992 3.812 815 HD21 ASN 95 HD21 ASN 95 9.730 1.259 2.136 816 HD22 ASN 95 HD22 ASN 95 11.127 2.239 1.856 817 HA PRO 96 HA PRO 96 11.813 -3.247 -1.772 818 HB2 PRO 96 HB2 PRO 96 8.949 -3.460 -2.300 819 HB3 PRO 96 HB3 PRO 96 10.203 -4.694 -2.445 820 HG2 PRO 96 HG2 PRO 96 8.295 -4.787 -0.534 821 HG3 PRO 96 HG3 PRO 96 9.936 -5.404 -0.269 822 HD2 PRO 96 HD2 PRO 96 8.736 -2.793 0.583 823 HD3 PRO 96 HD3 PRO 96 9.775 -3.907 1.501 824 H ALA 97 H ALA 97 10.198 -0.671 -0.418 825 HA ALA 97 HA ALA 97 9.789 0.650 -3.020 826 HB1 ALA 97 HB1 ALA 97 8.526 1.301 -0.356 827 HB2 ALA 97 HB2 ALA 97 7.749 0.438 -1.684 828 HB3 ALA 97 HB3 ALA 97 8.213 2.129 -1.883 829 H ALA 98 H ALA 98 12.292 0.364 -1.415 830 HA ALA 98 HA ALA 98 12.859 2.840 -0.141 831 HB1 ALA 98 HB1 ALA 98 14.767 0.774 -1.223 832 HB2 ALA 98 HB2 ALA 98 14.059 0.779 0.392 833 HB3 ALA 98 HB3 ALA 98 15.166 2.065 -0.091 834 H ALA 99 H ALA 99 13.235 1.661 -3.431 835 HA ALA 99 HA ALA 99 14.743 4.069 -4.148 836 HB1 ALA 99 HB1 ALA 99 15.654 1.915 -4.870 837 HB2 ALA 99 HB2 ALA 99 15.241 2.944 -6.242 838 HB3 ALA 99 HB3 ALA 99 14.184 1.606 -5.794 839 H PHE 100 H PHE 100 11.583 3.197 -3.953 840 HA PHE 100 HA PHE 100 10.714 4.387 -6.445 841 HB2 PHE 100 HB2 PHE 100 9.235 3.204 -4.102 842 HB3 PHE 100 HB3 PHE 100 8.397 4.085 -5.376 843 HD1 PHE 100 HD1 PHE 100 8.744 3.271 -7.780 844 HD2 PHE 100 HD2 PHE 100 9.683 0.942 -4.349 845 HE1 PHE 100 HE1 PHE 100 8.652 1.227 -9.149 846 HE2 PHE 100 HE2 PHE 100 9.595 -1.105 -5.708 847 HZ PHE 100 HZ PHE 100 9.080 -0.968 -8.112 848 H ASP 101 H ASP 101 10.730 6.492 -6.682 849 HA ASP 101 HA ASP 101 9.473 8.173 -4.667 850 HB2 ASP 101 HB2 ASP 101 11.784 8.301 -3.968 851 HB3 ASP 101 HB3 ASP 101 12.313 8.611 -5.620 852 HA PRO 102 HA PRO 102 7.964 9.710 -8.559 853 HB2 PRO 102 HB2 PRO 102 6.170 11.455 -7.581 854 HB3 PRO 102 HB3 PRO 102 5.927 9.708 -7.489 855 HG2 PRO 102 HG2 PRO 102 6.874 11.600 -5.374 856 HG3 PRO 102 HG3 PRO 102 5.733 10.248 -5.242 857 HD2 PRO 102 HD2 PRO 102 8.365 10.103 -4.505 858 HD3 PRO 102 HD3 PRO 102 7.401 8.705 -5.020 859 H GLY 103 H GLY 103 10.290 11.082 -6.931 860 HA2 GLY 103 HA2 GLY 103 11.670 12.853 -7.419 861 HA3 GLY 103 HA3 GLY 103 10.624 13.219 -8.782 862 H ASP 104 H ASP 104 9.441 13.014 -5.513 863 HA ASP 104 HA ASP 104 8.451 14.495 -4.122 864 HB2 ASP 104 HB2 ASP 104 10.694 15.483 -3.980 865 HB3 ASP 104 HB3 ASP 104 10.336 16.499 -5.373 866 H ALA 105 H ALA 105 6.409 14.424 -4.943 867 HA ALA 105 HA ALA 105 5.695 16.571 -6.831 868 HB1 ALA 105 HB1 ALA 105 3.787 15.212 -7.505 869 HB2 ALA 105 HB2 ALA 105 4.260 13.958 -6.359 870 HB3 ALA 105 HB3 ALA 105 5.296 14.329 -7.738 871 H GLY 106 H GLY 106 5.196 18.207 -5.459 872 HA2 GLY 106 HA2 GLY 106 3.560 19.360 -4.221 873 HA3 GLY 106 HA3 GLY 106 2.847 17.819 -3.765 874 H GLY 107 H GLY 107 4.254 20.380 -2.483 875 HA2 GLY 107 HA2 GLY 107 5.772 18.839 -0.463 876 HA3 GLY 107 HA3 GLY 107 6.238 20.456 -0.991 877 H LYS 108 H LYS 108 2.998 19.362 -0.514 878 HA LYS 108 HA LYS 108 1.373 19.793 1.011 879 HB2 LYS 108 HB2 LYS 108 3.676 20.240 2.590 880 HB3 LYS 108 HB3 LYS 108 2.596 21.602 2.863 881 HG2 LYS 108 HG2 LYS 108 2.247 19.748 4.449 882 HG3 LYS 108 HG3 LYS 108 0.809 20.128 3.498 883 HD2 LYS 108 HD2 LYS 108 1.389 18.275 1.961 884 HD3 LYS 108 HD3 LYS 108 2.743 17.866 3.011 885 HE2 LYS 108 HE2 LYS 108 -0.152 17.896 3.831 886 HE3 LYS 108 HE3 LYS 108 0.765 16.454 3.404 887 HZ1 LYS 108 HZ1 LYS 108 0.616 16.785 5.805 888 HZ2 LYS 108 HZ2 LYS 108 1.413 18.277 5.665 889 HZ3 LYS 108 HZ3 LYS 108 2.225 16.842 5.270 890 H LEU 109 H LEU 109 -0.187 21.124 0.607 891 HA LEU 109 HA LEU 109 0.524 23.697 -0.626 892 HB2 LEU 109 HB2 LEU 109 -1.985 22.035 -0.868 893 HB3 LEU 109 HB3 LEU 109 -1.731 23.581 -1.650 894 HG LEU 109 HG LEU 109 -0.077 21.110 -2.166 895 HD11 LEU 109 HD11 LEU 109 -2.301 22.360 -3.774 896 HD12 LEU 109 HD12 LEU 109 -2.342 20.794 -2.966 897 HD13 LEU 109 HD13 LEU 109 -1.254 21.054 -4.329 898 HD21 LEU 109 HD21 LEU 109 -0.170 23.772 -3.581 899 HD22 LEU 109 HD22 LEU 109 0.804 22.377 -4.050 900 HD23 LEU 109 HD23 LEU 109 1.128 23.208 -2.527 901 H GLU 110 H GLU 110 -2.353 22.442 1.047 902 HA GLU 110 HA GLU 110 -3.836 23.415 2.456 903 HB2 GLU 110 HB2 GLU 110 -1.268 24.626 3.470 904 HB3 GLU 110 HB3 GLU 110 -2.818 24.918 4.250 905 HG2 GLU 110 HG2 GLU 110 -1.468 22.254 3.877 906 HG3 GLU 110 HG3 GLU 110 -1.642 23.150 5.385 907 H HIS 111 H HIS 111 -3.731 26.104 3.578 908 HA HIS 111 HA HIS 111 -3.634 27.992 1.471 909 HB2 HIS 111 HB2 HIS 111 -6.023 28.402 1.172 910 HB3 HIS 111 HB3 HIS 111 -5.637 26.746 0.720 911 HD1 HIS 111 HD1 HIS 111 -8.102 28.577 2.473 912 HD2 HIS 111 HD2 HIS 111 -6.208 24.939 3.124 913 HE1 HIS 111 HE1 HIS 111 -9.577 27.325 4.080 914 HE2 HIS 111 HE2 HIS 111 -8.315 25.207 4.594 915 H HIS 112 H HIS 112 -3.733 30.037 2.255 916 HA HIS 112 HA HIS 112 -4.431 30.329 5.104 917 HB2 HIS 112 HB2 HIS 112 -2.636 32.049 3.376 918 HB3 HIS 112 HB3 HIS 112 -3.031 32.382 5.057 919 HD1 HIS 112 HD1 HIS 112 -0.209 31.510 3.494 920 HD2 HIS 112 HD2 HIS 112 -2.436 29.436 6.336 921 HE1 HIS 112 HE1 HIS 112 1.387 29.869 4.552 922 HE2 HIS 112 HE2 HIS 112 0.051 28.711 6.350 923 H HIS 113 H HIS 113 -4.921 31.544 1.866 924 HA HIS 113 HA HIS 113 -7.040 33.332 2.869 925 HB2 HIS 113 HB2 HIS 113 -5.228 34.438 1.588 926 HB3 HIS 113 HB3 HIS 113 -5.578 33.396 0.215 927 HD1 HIS 113 HD1 HIS 113 -6.794 36.433 2.009 928 HD2 HIS 113 HD2 HIS 113 -7.915 34.061 -1.225 929 HE1 HIS 113 HE1 HIS 113 -8.553 37.747 0.773 930 HE2 HIS 113 HE2 HIS 113 -9.242 36.286 -1.160 931 H HIS 114 H HIS 114 -8.990 32.426 2.729 932 HA HIS 114 HA HIS 114 -9.642 30.928 0.266 933 HB2 HIS 114 HB2 HIS 114 -9.561 29.470 2.293 934 HB3 HIS 114 HB3 HIS 114 -10.822 30.460 3.015 935 HD1 HIS 114 HD1 HIS 114 -10.251 27.756 0.521 936 HD2 HIS 114 HD2 HIS 114 -13.406 30.095 1.903 937 HE1 HIS 114 HE1 HIS 114 -12.344 26.639 -0.314 938 HE2 HIS 114 HE2 HIS 114 -14.238 27.958 0.697 939 H HIS 115 H HIS 115 -10.843 32.978 2.876 940 HA HIS 115 HA HIS 115 -12.235 34.666 1.053 941 HB2 HIS 115 HB2 HIS 115 -13.942 32.932 1.130 942 HB3 HIS 115 HB3 HIS 115 -13.899 32.921 2.890 943 HD1 HIS 115 HD1 HIS 115 -15.870 34.061 3.830 944 HD2 HIS 115 HD2 HIS 115 -14.626 35.827 0.273 945 HE1 HIS 115 HE1 HIS 115 -17.438 35.985 3.440 946 HE2 HIS 115 HE2 HIS 115 -16.515 37.174 1.428 947 H HIS 116 H HIS 116 -12.098 36.637 1.870 948 HA HIS 116 HA HIS 116 -11.175 37.061 4.547 949 HB2 HIS 116 HB2 HIS 116 -10.537 38.515 2.642 950 HB3 HIS 116 HB3 HIS 116 -12.202 39.071 2.525 951 HD1 HIS 116 HD1 HIS 116 -9.083 39.490 4.517 952 HD2 HIS 116 HD2 HIS 116 -13.003 40.868 4.540 953 HE1 HIS 116 HE1 HIS 116 -9.106 41.448 6.096 954 HE2 HIS 116 HE2 HIS 116 -11.538 42.084 6.286 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -4.380 -17.257 5.879 2 H2 MET 1 H2 MET 1 -4.497 -15.598 6.209 3 H3 MET 1 H3 MET 1 -5.899 -16.501 5.911 4 HA MET 1 HA MET 1 -5.599 -16.006 8.268 5 HB2 MET 1 HB2 MET 1 -6.813 -18.026 7.524 6 HB3 MET 1 HB3 MET 1 -5.304 -18.929 7.542 7 HG2 MET 1 HG2 MET 1 -5.121 -18.508 9.966 8 HG3 MET 1 HG3 MET 1 -6.688 -17.700 9.918 9 HE1 MET 1 HE1 MET 1 -8.986 -18.964 9.314 10 HE2 MET 1 HE2 MET 1 -9.043 -20.660 8.827 11 HE3 MET 1 HE3 MET 1 -8.242 -19.472 7.798 12 H ALA 2 H ALA 2 -3.911 -15.165 9.315 13 HA ALA 2 HA ALA 2 -1.863 -16.916 10.291 14 HB1 ALA 2 HB1 ALA 2 -0.888 -16.324 8.117 15 HB2 ALA 2 HB2 ALA 2 0.054 -15.663 9.452 16 HB3 ALA 2 HB3 ALA 2 -1.020 -14.613 8.526 17 H GLU 3 H GLU 3 -2.881 -16.286 12.234 18 HA GLU 3 HA GLU 3 -2.606 -13.446 12.954 19 HB2 GLU 3 HB2 GLU 3 -4.332 -15.614 14.167 20 HB3 GLU 3 HB3 GLU 3 -4.266 -13.947 14.725 21 HG2 GLU 3 HG2 GLU 3 -5.185 -13.152 12.667 22 HG3 GLU 3 HG3 GLU 3 -5.074 -14.755 11.944 23 H LYS 4 H LYS 4 -0.400 -13.543 13.507 24 HA LYS 4 HA LYS 4 0.033 -14.156 16.261 25 HB2 LYS 4 HB2 LYS 4 0.403 -16.369 15.003 26 HB3 LYS 4 HB3 LYS 4 1.799 -15.600 14.274 27 HG2 LYS 4 HG2 LYS 4 1.408 -16.071 17.226 28 HG3 LYS 4 HG3 LYS 4 2.397 -17.056 16.150 29 HD2 LYS 4 HD2 LYS 4 3.577 -14.781 15.633 30 HD3 LYS 4 HD3 LYS 4 2.874 -14.289 17.175 31 HE2 LYS 4 HE2 LYS 4 5.061 -15.092 17.629 32 HE3 LYS 4 HE3 LYS 4 3.932 -16.329 18.181 33 HZ1 LYS 4 HZ1 LYS 4 5.858 -17.213 16.926 34 HZ2 LYS 4 HZ2 LYS 4 5.303 -16.388 15.552 35 HZ3 LYS 4 HZ3 LYS 4 4.362 -17.620 16.237 36 H ASN 5 H ASN 5 2.137 -14.033 13.442 37 HA ASN 5 HA ASN 5 2.983 -11.360 13.614 38 HB2 ASN 5 HB2 ASN 5 3.855 -12.253 15.840 39 HB3 ASN 5 HB3 ASN 5 4.940 -13.275 14.910 40 HD21 ASN 5 HD21 ASN 5 6.755 -12.307 15.786 41 HD22 ASN 5 HD22 ASN 5 7.251 -10.705 15.352 42 H ALA 6 H ALA 6 2.358 -13.465 11.746 43 HA ALA 6 HA ALA 6 4.677 -13.260 10.007 44 HB1 ALA 6 HB1 ALA 6 5.073 -15.362 11.195 45 HB2 ALA 6 HB2 ALA 6 4.700 -15.659 9.497 46 HB3 ALA 6 HB3 ALA 6 3.470 -15.935 10.731 47 H TYR 7 H TYR 7 2.399 -11.871 9.751 48 HA TYR 7 HA TYR 7 0.556 -13.420 8.087 49 HB2 TYR 7 HB2 TYR 7 -0.890 -11.305 8.386 50 HB3 TYR 7 HB3 TYR 7 -0.684 -12.392 9.752 51 HD1 TYR 7 HD1 TYR 7 0.489 -9.174 8.308 52 HD2 TYR 7 HD2 TYR 7 0.242 -11.627 11.775 53 HE1 TYR 7 HE1 TYR 7 1.270 -7.297 9.689 54 HE2 TYR 7 HE2 TYR 7 1.019 -9.753 13.163 55 HH TYR 7 HH TYR 7 1.079 -6.595 12.118 56 H THR 8 H THR 8 -0.660 -11.671 6.544 57 HA THR 8 HA THR 8 1.388 -11.150 4.548 58 HB THR 8 HB THR 8 -0.581 -10.879 3.026 59 HG1 THR 8 HG1 THR 8 -2.563 -11.877 4.215 60 HG21 THR 8 HG21 THR 8 -1.178 -13.247 3.004 61 HG22 THR 8 HG22 THR 8 -0.546 -13.438 4.640 62 HG23 THR 8 HG23 THR 8 0.548 -13.054 3.311 63 H VAL 9 H VAL 9 0.785 -9.217 3.035 64 HA VAL 9 HA VAL 9 1.071 -6.830 4.496 65 HB VAL 9 HB VAL 9 0.734 -5.654 2.357 66 HG11 VAL 9 HG11 VAL 9 2.933 -6.507 2.872 67 HG12 VAL 9 HG12 VAL 9 2.622 -6.667 1.143 68 HG13 VAL 9 HG13 VAL 9 2.511 -8.079 2.193 69 HG21 VAL 9 HG21 VAL 9 0.134 -8.391 1.234 70 HG22 VAL 9 HG22 VAL 9 0.343 -6.912 0.295 71 HG23 VAL 9 HG23 VAL 9 -1.018 -7.066 1.406 72 H ALA 10 H ALA 10 -1.741 -8.507 3.269 73 HA ALA 10 HA ALA 10 -3.604 -6.397 3.526 74 HB1 ALA 10 HB1 ALA 10 -5.315 -8.123 3.423 75 HB2 ALA 10 HB2 ALA 10 -4.101 -9.368 3.722 76 HB3 ALA 10 HB3 ALA 10 -4.057 -8.434 2.226 77 H GLN 11 H GLN 11 -2.467 -8.894 5.743 78 HA GLN 11 HA GLN 11 -4.234 -8.083 7.854 79 HB2 GLN 11 HB2 GLN 11 -1.778 -9.841 7.926 80 HB3 GLN 11 HB3 GLN 11 -2.899 -9.621 9.259 81 HG2 GLN 11 HG2 GLN 11 -3.555 -10.836 6.586 82 HG3 GLN 11 HG3 GLN 11 -3.302 -11.712 8.094 83 HE21 GLN 11 HE21 GLN 11 -4.705 -9.642 9.655 84 HE22 GLN 11 HE22 GLN 11 -6.390 -9.872 9.330 85 H LEU 12 H LEU 12 -0.954 -7.369 6.866 86 HA LEU 12 HA LEU 12 -0.127 -6.037 9.211 87 HB2 LEU 12 HB2 LEU 12 1.333 -6.813 7.295 88 HB3 LEU 12 HB3 LEU 12 0.755 -5.432 6.387 89 HG LEU 12 HG LEU 12 2.113 -5.047 9.041 90 HD11 LEU 12 HD11 LEU 12 3.438 -5.345 6.350 91 HD12 LEU 12 HD12 LEU 12 3.635 -6.410 7.741 92 HD13 LEU 12 HD13 LEU 12 4.224 -4.749 7.811 93 HD21 LEU 12 HD21 LEU 12 2.699 -2.887 8.076 94 HD22 LEU 12 HD22 LEU 12 0.953 -3.132 8.039 95 HD23 LEU 12 HD23 LEU 12 1.903 -3.332 6.566 96 H ALA 13 H ALA 13 -1.542 -4.840 6.177 97 HA ALA 13 HA ALA 13 -1.723 -2.138 6.933 98 HB1 ALA 13 HB1 ALA 13 -3.294 -1.904 5.095 99 HB2 ALA 13 HB2 ALA 13 -3.483 -3.655 5.008 100 HB3 ALA 13 HB3 ALA 13 -1.931 -2.913 4.611 101 H ASP 14 H ASP 14 -3.753 -4.892 7.575 102 HA ASP 14 HA ASP 14 -6.116 -3.593 8.340 103 HB2 ASP 14 HB2 ASP 14 -5.817 -6.056 7.915 104 HB3 ASP 14 HB3 ASP 14 -5.015 -6.176 9.475 105 H GLU 15 H GLU 15 -3.322 -4.638 10.317 106 HA GLU 15 HA GLU 15 -4.421 -3.423 12.682 107 HB2 GLU 15 HB2 GLU 15 -2.932 -5.412 12.777 108 HB3 GLU 15 HB3 GLU 15 -1.599 -4.413 12.209 109 HG2 GLU 15 HG2 GLU 15 -1.652 -3.091 14.187 110 HG3 GLU 15 HG3 GLU 15 -3.154 -3.844 14.714 111 H TYR 16 H TYR 16 -2.114 -2.549 10.202 112 HA TYR 16 HA TYR 16 -1.033 -0.271 11.445 113 HB2 TYR 16 HB2 TYR 16 0.196 -1.053 9.619 114 HB3 TYR 16 HB3 TYR 16 -1.225 -1.176 8.587 115 HD1 TYR 16 HD1 TYR 16 0.734 1.438 10.425 116 HD2 TYR 16 HD2 TYR 16 -1.509 0.423 6.957 117 HE1 TYR 16 HE1 TYR 16 1.200 3.660 9.475 118 HE2 TYR 16 HE2 TYR 16 -1.045 2.636 6.001 119 HH TYR 16 HH TYR 16 -0.446 4.833 6.690 120 H PHE 17 H PHE 17 -3.817 -0.603 9.222 121 HA PHE 17 HA PHE 17 -4.208 2.196 9.013 122 HB2 PHE 17 HB2 PHE 17 -5.915 1.729 7.583 123 HB3 PHE 17 HB3 PHE 17 -5.136 0.162 7.554 124 HD1 PHE 17 HD2 PHE 17 -8.000 2.072 8.854 125 HD2 PHE 17 HD1 PHE 17 -6.239 -1.771 8.397 126 HE1 PHE 17 HE2 PHE 17 -10.134 1.023 9.491 127 HE2 PHE 17 HE1 PHE 17 -8.368 -2.825 9.025 128 HZ PHE 17 HZ PHE 17 -10.318 -1.431 9.576 129 H GLU 18 H GLU 18 -5.264 -0.183 11.327 130 HA GLU 18 HA GLU 18 -7.308 1.306 12.553 131 HB2 GLU 18 HB2 GLU 18 -6.909 -1.071 13.032 132 HB3 GLU 18 HB3 GLU 18 -5.388 -0.660 13.817 133 HG2 GLU 18 HG2 GLU 18 -6.686 0.712 15.446 134 HG3 GLU 18 HG3 GLU 18 -8.160 0.086 14.711 135 H ARG 19 H ARG 19 -3.817 1.418 12.869 136 HA ARG 19 HA ARG 19 -3.777 2.984 15.243 137 HB2 ARG 19 HB2 ARG 19 -1.791 2.016 13.286 138 HB3 ARG 19 HB3 ARG 19 -1.362 3.495 14.133 139 HG2 ARG 19 HG2 ARG 19 -0.468 1.535 15.255 140 HG3 ARG 19 HG3 ARG 19 -1.637 2.373 16.271 141 HD2 ARG 19 HD2 ARG 19 -3.349 0.731 15.640 142 HD3 ARG 19 HD3 ARG 19 -2.162 -0.112 14.644 143 HE ARG 19 HE ARG 19 -1.112 0.101 17.221 144 HH11 ARG 19 HH11 ARG 19 -3.788 -1.509 15.624 145 HH12 ARG 19 HH12 ARG 19 -3.817 -2.832 16.746 146 HH21 ARG 19 HH21 ARG 19 -1.152 -1.611 18.679 147 HH22 ARG 19 HH22 ARG 19 -2.322 -2.884 18.503 148 H MET 20 H MET 20 -4.064 3.742 11.864 149 HA MET 20 HA MET 20 -3.568 6.586 12.391 150 HB2 MET 20 HB2 MET 20 -3.940 5.071 9.803 151 HB3 MET 20 HB3 MET 20 -3.720 6.811 9.904 152 HG2 MET 20 HG2 MET 20 -1.694 4.937 11.065 153 HG3 MET 20 HG3 MET 20 -1.701 5.317 9.345 154 HE1 MET 20 HE1 MET 20 -0.809 8.312 12.752 155 HE2 MET 20 HE2 MET 20 -0.932 6.563 12.956 156 HE3 MET 20 HE3 MET 20 -2.376 7.515 12.613 157 H ILE 21 H ILE 21 -6.075 4.327 11.680 158 HA ILE 21 HA ILE 21 -8.002 6.492 11.182 159 HB ILE 21 HB ILE 21 -8.246 3.541 10.524 160 HG12 ILE 21 HG12 ILE 21 -6.476 4.592 9.210 161 HG13 ILE 21 HG13 ILE 21 -7.862 4.219 8.192 162 HG21 ILE 21 HG21 ILE 21 -10.417 4.649 10.814 163 HG22 ILE 21 HG22 ILE 21 -10.137 4.197 9.132 164 HG23 ILE 21 HG23 ILE 21 -9.944 5.876 9.637 165 HD11 ILE 21 HD11 ILE 21 -8.550 6.553 8.258 166 HD12 ILE 21 HD12 ILE 21 -6.899 6.394 7.655 167 HD13 ILE 21 HD13 ILE 21 -7.187 6.934 9.310 168 H ALA 22 H ALA 22 -7.300 6.257 13.750 169 HA ALA 22 HA ALA 22 -9.643 4.971 14.987 170 HB1 ALA 22 HB1 ALA 22 -8.320 4.591 17.001 171 HB2 ALA 22 HB2 ALA 22 -6.909 5.305 16.220 172 HB3 ALA 22 HB3 ALA 22 -7.583 3.794 15.609 173 H GLY 23 H GLY 23 -10.142 6.003 17.173 174 HA2 GLY 23 HA2 GLY 23 -10.548 7.869 18.484 175 HA3 GLY 23 HA3 GLY 23 -9.360 8.756 17.540 176 H ARG 24 H ARG 24 -10.130 9.184 15.215 177 HA ARG 24 HA ARG 24 -12.950 9.493 14.873 178 HB2 ARG 24 HB2 ARG 24 -12.818 11.942 14.415 179 HB3 ARG 24 HB3 ARG 24 -12.625 11.516 16.109 180 HG2 ARG 24 HG2 ARG 24 -10.430 12.138 16.159 181 HG3 ARG 24 HG3 ARG 24 -10.194 11.855 14.428 182 HD2 ARG 24 HD2 ARG 24 -11.195 13.853 13.839 183 HD3 ARG 24 HD3 ARG 24 -12.063 13.979 15.367 184 HE ARG 24 HE ARG 24 -9.887 14.511 16.399 185 HH11 ARG 24 HH11 ARG 24 -10.203 14.869 12.932 186 HH12 ARG 24 HH12 ARG 24 -8.984 16.102 12.815 187 HH21 ARG 24 HH21 ARG 24 -8.259 16.093 16.253 188 HH22 ARG 24 HH22 ARG 24 -7.868 16.793 14.710 189 H TRP 25 H TRP 25 -13.326 9.047 12.907 190 HA TRP 25 HA TRP 25 -11.514 9.812 10.770 191 HB2 TRP 25 HB2 TRP 25 -11.347 7.535 9.874 192 HB3 TRP 25 HB3 TRP 25 -10.687 7.600 11.502 193 HD1 TRP 25 HD1 TRP 25 -13.178 5.784 9.421 194 HE1 TRP 25 HE1 TRP 25 -14.519 4.141 10.870 195 HE3 TRP 25 HE3 TRP 25 -11.718 7.386 14.058 196 HZ2 TRP 25 HZ2 TRP 25 -14.906 3.587 13.604 197 HZ3 TRP 25 HZ3 TRP 25 -12.629 6.245 16.034 198 HH2 TRP 25 HH2 TRP 25 -14.190 4.395 15.803 199 H LYS 26 H LYS 26 -14.503 8.155 11.684 200 HA LYS 26 HA LYS 26 -16.547 8.002 10.769 201 HB2 LYS 26 HB2 LYS 26 -15.619 10.567 9.575 202 HB3 LYS 26 HB3 LYS 26 -17.072 9.819 8.921 203 HG2 LYS 26 HG2 LYS 26 -16.584 10.673 11.765 204 HG3 LYS 26 HG3 LYS 26 -17.726 11.371 10.610 205 HD2 LYS 26 HD2 LYS 26 -18.913 9.201 10.527 206 HD3 LYS 26 HD3 LYS 26 -17.812 8.580 11.755 207 HE2 LYS 26 HE2 LYS 26 -18.585 10.333 13.295 208 HE3 LYS 26 HE3 LYS 26 -19.722 10.886 12.065 209 HZ1 LYS 26 HZ1 LYS 26 -20.785 8.708 12.132 210 HZ2 LYS 26 HZ2 LYS 26 -20.807 9.446 13.659 211 HZ3 LYS 26 HZ3 LYS 26 -19.702 8.200 13.336 212 H HIS 27 H HIS 27 -17.364 6.620 9.410 213 HA HIS 27 HA HIS 27 -17.488 5.053 7.774 214 HB2 HIS 27 HB2 HIS 27 -16.007 7.136 6.158 215 HB3 HIS 27 HB3 HIS 27 -16.646 5.641 5.487 216 HD1 HIS 27 HD1 HIS 27 -17.478 8.770 4.952 217 HD2 HIS 27 HD2 HIS 27 -19.628 5.806 6.925 218 HE1 HIS 27 HE1 HIS 27 -19.892 9.456 4.784 219 HE2 HIS 27 HE2 HIS 27 -21.134 7.778 6.197 220 HA PRO 28 HA PRO 28 -13.290 3.450 8.817 221 HB2 PRO 28 HB2 PRO 28 -14.791 0.935 9.103 222 HB3 PRO 28 HB3 PRO 28 -13.729 1.738 10.260 223 HG2 PRO 28 HG2 PRO 28 -16.406 1.628 10.589 224 HG3 PRO 28 HG3 PRO 28 -15.431 2.997 11.152 225 HD2 PRO 28 HD2 PRO 28 -17.173 2.771 8.735 226 HD3 PRO 28 HD3 PRO 28 -16.913 4.159 9.813 227 H ASN 29 H ASN 29 -15.840 2.551 6.684 228 HA ASN 29 HA ASN 29 -14.361 0.618 5.178 229 HB2 ASN 29 HB2 ASN 29 -16.314 0.744 3.603 230 HB3 ASN 29 HB3 ASN 29 -16.733 0.329 5.259 231 HD21 ASN 29 HD21 ASN 29 -18.870 0.983 4.880 232 HD22 ASN 29 HD22 ASN 29 -19.307 2.658 4.809 233 H ILE 30 H ILE 30 -14.545 4.050 5.153 234 HA ILE 30 HA ILE 30 -14.227 4.444 2.356 235 HB ILE 30 HB ILE 30 -15.010 6.139 4.166 236 HG12 ILE 30 HG12 ILE 30 -14.701 6.570 1.690 237 HG13 ILE 30 HG13 ILE 30 -14.580 7.980 2.730 238 HG21 ILE 30 HG21 ILE 30 -12.045 6.663 4.260 239 HG22 ILE 30 HG22 ILE 30 -13.044 6.061 5.584 240 HG23 ILE 30 HG23 ILE 30 -13.298 7.690 4.957 241 HD11 ILE 30 HD11 ILE 30 -12.906 8.037 0.976 242 HD12 ILE 30 HD12 ILE 30 -12.276 6.476 1.504 243 HD13 ILE 30 HD13 ILE 30 -12.138 7.883 2.556 244 H VAL 31 H VAL 31 -11.986 4.031 5.038 245 HA VAL 31 HA VAL 31 -9.680 4.569 3.412 246 HB VAL 31 HB VAL 31 -9.649 5.012 5.838 247 HG11 VAL 31 HG11 VAL 31 -9.754 2.015 6.131 248 HG12 VAL 31 HG12 VAL 31 -11.000 3.162 6.623 249 HG13 VAL 31 HG13 VAL 31 -9.434 3.162 7.433 250 HG21 VAL 31 HG21 VAL 31 -7.445 4.035 6.308 251 HG22 VAL 31 HG22 VAL 31 -7.544 4.696 4.677 252 HG23 VAL 31 HG23 VAL 31 -7.641 2.952 4.929 253 H ARG 32 H ARG 32 -11.479 1.736 4.443 254 HA ARG 32 HA ARG 32 -9.493 -0.158 3.691 255 HB2 ARG 32 HB2 ARG 32 -11.457 -0.537 5.289 256 HB3 ARG 32 HB3 ARG 32 -12.449 -0.724 3.846 257 HG2 ARG 32 HG2 ARG 32 -11.857 -2.906 4.448 258 HG3 ARG 32 HG3 ARG 32 -10.765 -2.497 3.121 259 HD2 ARG 32 HD2 ARG 32 -9.210 -1.685 5.052 260 HD3 ARG 32 HD3 ARG 32 -10.200 -2.760 6.025 261 HE ARG 32 HE ARG 32 -8.740 -3.678 3.646 262 HH11 ARG 32 HH11 ARG 32 -9.710 -4.037 6.997 263 HH12 ARG 32 HH12 ARG 32 -8.838 -5.527 7.222 264 HH21 ARG 32 HH21 ARG 32 -7.640 -5.643 3.916 265 HH22 ARG 32 HH22 ARG 32 -7.691 -6.467 5.450 266 H SER 33 H SER 33 -12.395 1.122 2.114 267 HA SER 33 HA SER 33 -12.438 -0.644 -0.044 268 HB2 SER 33 HB2 SER 33 -13.739 1.231 -1.198 269 HB3 SER 33 HB3 SER 33 -14.390 0.627 0.326 270 HG SER 33 HG SER 33 -13.701 2.438 1.353 271 H ARG 34 H ARG 34 -10.508 2.246 0.468 272 HA ARG 34 HA ARG 34 -9.656 2.317 -2.280 273 HB2 ARG 34 HB2 ARG 34 -8.442 4.217 -1.790 274 HB3 ARG 34 HB3 ARG 34 -9.724 4.303 -0.595 275 HG2 ARG 34 HG2 ARG 34 -8.299 3.697 1.153 276 HG3 ARG 34 HG3 ARG 34 -7.066 3.083 0.049 277 HD2 ARG 34 HD2 ARG 34 -7.842 5.953 0.545 278 HD3 ARG 34 HD3 ARG 34 -6.291 5.180 0.873 279 HE ARG 34 HE ARG 34 -7.350 5.880 -1.789 280 HH11 ARG 34 HH11 ARG 34 -4.662 4.910 0.250 281 HH12 ARG 34 HH12 ARG 34 -3.481 5.136 -0.998 282 HH21 ARG 34 HH21 ARG 34 -5.797 6.171 -3.415 283 HH22 ARG 34 HH22 ARG 34 -4.121 5.831 -3.094 284 H ILE 35 H ILE 35 -8.405 1.002 0.753 285 HA ILE 35 HA ILE 35 -5.817 0.398 -0.255 286 HB ILE 35 HB ILE 35 -7.319 -0.878 2.043 287 HG12 ILE 35 HG12 ILE 35 -5.240 1.323 2.026 288 HG13 ILE 35 HG13 ILE 35 -6.966 1.553 2.288 289 HG21 ILE 35 HG21 ILE 35 -4.381 -0.971 1.356 290 HG22 ILE 35 HG22 ILE 35 -5.516 -2.318 1.271 291 HG23 ILE 35 HG23 ILE 35 -5.111 -1.606 2.832 292 HD11 ILE 35 HD11 ILE 35 -6.841 0.225 4.321 293 HD12 ILE 35 HD12 ILE 35 -5.734 1.596 4.380 294 HD13 ILE 35 HD13 ILE 35 -5.115 -0.025 4.060 295 H GLU 36 H GLU 36 -8.742 -1.500 0.185 296 HA GLU 36 HA GLU 36 -7.820 -3.985 -0.701 297 HB2 GLU 36 HB2 GLU 36 -10.528 -2.680 -0.536 298 HB3 GLU 36 HB3 GLU 36 -10.357 -4.299 -1.188 299 HG2 GLU 36 HG2 GLU 36 -10.743 -3.608 1.453 300 HG3 GLU 36 HG3 GLU 36 -10.279 -5.184 0.858 301 H LYS 37 H LYS 37 -8.616 -1.162 -2.541 302 HA LYS 37 HA LYS 37 -8.841 -2.748 -5.001 303 HB2 LYS 37 HB2 LYS 37 -10.794 -1.388 -4.558 304 HB3 LYS 37 HB3 LYS 37 -9.800 0.039 -4.329 305 HG2 LYS 37 HG2 LYS 37 -9.799 -1.388 -6.956 306 HG3 LYS 37 HG3 LYS 37 -11.105 -0.282 -6.538 307 HD2 LYS 37 HD2 LYS 37 -8.166 0.411 -6.584 308 HD3 LYS 37 HD3 LYS 37 -9.332 0.817 -7.832 309 HE2 LYS 37 HE2 LYS 37 -10.615 2.111 -6.153 310 HE3 LYS 37 HE3 LYS 37 -9.347 1.774 -4.978 311 HZ1 LYS 37 HZ1 LYS 37 -9.026 3.941 -5.933 312 HZ2 LYS 37 HZ2 LYS 37 -9.049 3.319 -7.503 313 HZ3 LYS 37 HZ3 LYS 37 -7.766 2.934 -6.457 314 H ASP 38 H ASP 38 -7.323 0.131 -3.615 315 HA ASP 38 HA ASP 38 -5.955 0.738 -6.100 316 HB2 ASP 38 HB2 ASP 38 -7.047 2.349 -4.331 317 HB3 ASP 38 HB3 ASP 38 -5.497 2.185 -3.517 318 H ILE 39 H ILE 39 -5.195 -0.392 -2.867 319 HA ILE 39 HA ILE 39 -2.339 -0.252 -3.400 320 HB ILE 39 HB ILE 39 -3.865 -0.974 -0.900 321 HG12 ILE 39 HG12 ILE 39 -2.273 1.491 -1.634 322 HG13 ILE 39 HG13 ILE 39 -4.028 1.389 -1.597 323 HG21 ILE 39 HG21 ILE 39 -1.711 -2.132 -0.968 324 HG22 ILE 39 HG22 ILE 39 -1.727 -0.873 0.268 325 HG23 ILE 39 HG23 ILE 39 -0.895 -0.595 -1.261 326 HD11 ILE 39 HD11 ILE 39 -2.184 1.087 0.761 327 HD12 ILE 39 HD12 ILE 39 -3.942 0.957 0.807 328 HD13 ILE 39 HD13 ILE 39 -3.182 2.490 0.381 329 H LYS 40 H LYS 40 -4.731 -2.704 -2.383 330 HA LYS 40 HA LYS 40 -2.925 -4.711 -3.521 331 HB2 LYS 40 HB2 LYS 40 -3.881 -6.216 -1.578 332 HB3 LYS 40 HB3 LYS 40 -2.480 -5.194 -1.344 333 HG2 LYS 40 HG2 LYS 40 -3.674 -4.750 0.549 334 HG3 LYS 40 HG3 LYS 40 -4.225 -3.454 -0.510 335 HD2 LYS 40 HD2 LYS 40 -6.104 -4.448 0.648 336 HD3 LYS 40 HD3 LYS 40 -6.207 -4.790 -1.081 337 HE2 LYS 40 HE2 LYS 40 -5.249 -7.017 -0.679 338 HE3 LYS 40 HE3 LYS 40 -5.196 -6.672 1.049 339 HZ1 LYS 40 HZ1 LYS 40 -7.145 -7.941 0.572 340 HZ2 LYS 40 HZ2 LYS 40 -7.621 -6.872 -0.654 341 HZ3 LYS 40 HZ3 LYS 40 -7.629 -6.363 0.968 342 HA PRO 41 HA PRO 41 -7.079 -5.242 -5.407 343 HB2 PRO 41 HB2 PRO 41 -5.547 -5.806 -7.831 344 HB3 PRO 41 HB3 PRO 41 -6.767 -4.562 -7.547 345 HG2 PRO 41 HG2 PRO 41 -4.138 -3.988 -7.871 346 HG3 PRO 41 HG3 PRO 41 -5.221 -3.012 -6.861 347 HD2 PRO 41 HD2 PRO 41 -3.216 -5.081 -6.048 348 HD3 PRO 41 HD3 PRO 41 -3.602 -3.522 -5.287 349 H ALA 42 H ALA 42 -4.215 -7.113 -6.463 350 HA ALA 42 HA ALA 42 -5.818 -9.558 -6.085 351 HB1 ALA 42 HB1 ALA 42 -3.606 -9.080 -8.075 352 HB2 ALA 42 HB2 ALA 42 -5.332 -9.112 -8.437 353 HB3 ALA 42 HB3 ALA 42 -4.520 -10.576 -7.881 354 H ILE 43 H ILE 43 -3.672 -7.921 -4.503 355 HA ILE 43 HA ILE 43 -1.978 -10.227 -3.804 356 HB ILE 43 HB ILE 43 -0.426 -8.409 -2.856 357 HG12 ILE 43 HG12 ILE 43 -1.930 -6.728 -4.879 358 HG13 ILE 43 HG13 ILE 43 -2.144 -6.576 -3.139 359 HG21 ILE 43 HG21 ILE 43 0.641 -8.128 -5.068 360 HG22 ILE 43 HG22 ILE 43 -0.821 -8.756 -5.831 361 HG23 ILE 43 HG23 ILE 43 0.131 -9.789 -4.765 362 HD11 ILE 43 HD11 ILE 43 0.403 -6.095 -4.670 363 HD12 ILE 43 HD12 ILE 43 0.229 -5.968 -2.920 364 HD13 ILE 43 HD13 ILE 43 -0.651 -4.863 -3.979 365 H GLY 44 H GLY 44 -3.807 -10.874 -2.450 366 HA2 GLY 44 HA2 GLY 44 -4.118 -9.277 -0.002 367 HA3 GLY 44 HA3 GLY 44 -5.163 -10.598 -0.509 368 H SER 45 H SER 45 -3.613 -12.672 -0.940 369 HA SER 45 HA SER 45 -2.480 -13.318 1.641 370 HB2 SER 45 HB2 SER 45 -2.698 -14.919 -0.922 371 HB3 SER 45 HB3 SER 45 -2.104 -15.557 0.609 372 HG SER 45 HG SER 45 -4.688 -14.421 0.231 373 H LEU 46 H LEU 46 -1.191 -11.243 0.130 374 HA LEU 46 HA LEU 46 1.286 -12.390 -0.864 375 HB2 LEU 46 HB2 LEU 46 0.162 -10.497 -2.027 376 HB3 LEU 46 HB3 LEU 46 0.439 -9.500 -0.611 377 HG LEU 46 HG LEU 46 2.893 -9.881 -0.936 378 HD11 LEU 46 HD11 LEU 46 2.809 -11.881 -2.278 379 HD12 LEU 46 HD12 LEU 46 3.638 -10.595 -3.156 380 HD13 LEU 46 HD13 LEU 46 1.972 -11.010 -3.563 381 HD21 LEU 46 HD21 LEU 46 1.410 -8.516 -3.167 382 HD22 LEU 46 HD22 LEU 46 3.101 -8.251 -2.738 383 HD23 LEU 46 HD23 LEU 46 1.823 -7.809 -1.606 384 H LYS 47 H LYS 47 2.637 -13.037 0.682 385 HA LYS 47 HA LYS 47 2.777 -12.023 3.292 386 HB2 LYS 47 HB2 LYS 47 3.605 -14.259 2.461 387 HB3 LYS 47 HB3 LYS 47 4.980 -13.416 1.762 388 HG2 LYS 47 HG2 LYS 47 5.616 -14.379 3.866 389 HG3 LYS 47 HG3 LYS 47 5.594 -12.620 4.016 390 HD2 LYS 47 HD2 LYS 47 4.569 -13.596 5.966 391 HD3 LYS 47 HD3 LYS 47 3.331 -12.780 5.019 392 HE2 LYS 47 HE2 LYS 47 2.507 -14.916 5.806 393 HE3 LYS 47 HE3 LYS 47 2.678 -14.942 4.051 394 HZ1 LYS 47 HZ1 LYS 47 4.306 -16.312 6.095 395 HZ2 LYS 47 HZ2 LYS 47 4.971 -15.965 4.580 396 HZ3 LYS 47 HZ3 LYS 47 3.591 -16.942 4.690 397 H VAL 48 H VAL 48 4.242 -10.612 4.268 398 HA VAL 48 HA VAL 48 5.097 -8.371 2.812 399 HB VAL 48 HB VAL 48 6.246 -9.253 5.461 400 HG11 VAL 48 HG11 VAL 48 5.792 -6.521 4.271 401 HG12 VAL 48 HG12 VAL 48 7.345 -7.338 4.449 402 HG13 VAL 48 HG13 VAL 48 6.438 -6.849 5.880 403 HG21 VAL 48 HG21 VAL 48 3.824 -9.426 5.588 404 HG22 VAL 48 HG22 VAL 48 3.658 -7.790 4.953 405 HG23 VAL 48 HG23 VAL 48 4.394 -8.050 6.534 406 H GLU 49 H GLU 49 6.580 -11.401 3.475 407 HA GLU 49 HA GLU 49 9.270 -10.726 2.819 408 HB2 GLU 49 HB2 GLU 49 8.709 -12.653 4.209 409 HB3 GLU 49 HB3 GLU 49 7.791 -13.363 2.890 410 HG2 GLU 49 HG2 GLU 49 10.038 -13.298 1.613 411 HG3 GLU 49 HG3 GLU 49 10.747 -13.114 3.218 412 H ASP 50 H ASP 50 6.429 -11.421 1.001 413 HA ASP 50 HA ASP 50 7.983 -12.298 -1.328 414 HB2 ASP 50 HB2 ASP 50 6.247 -13.837 -0.462 415 HB3 ASP 50 HB3 ASP 50 5.029 -12.605 -0.760 416 H VAL 51 H VAL 51 6.541 -9.562 -0.128 417 HA VAL 51 HA VAL 51 5.575 -8.623 -2.694 418 HB VAL 51 HB VAL 51 4.236 -7.963 -0.815 419 HG11 VAL 51 HG11 VAL 51 5.927 -8.046 0.941 420 HG12 VAL 51 HG12 VAL 51 5.045 -6.519 0.974 421 HG13 VAL 51 HG13 VAL 51 6.673 -6.583 0.298 422 HG21 VAL 51 HG21 VAL 51 4.355 -6.376 -2.647 423 HG22 VAL 51 HG22 VAL 51 5.757 -5.600 -1.912 424 HG23 VAL 51 HG23 VAL 51 4.186 -5.523 -1.113 425 H LYS 52 H LYS 52 7.511 -8.706 -3.864 426 HA LYS 52 HA LYS 52 9.643 -6.914 -3.145 427 HB2 LYS 52 HB2 LYS 52 10.639 -7.568 -5.300 428 HB3 LYS 52 HB3 LYS 52 10.209 -8.950 -4.311 429 HG2 LYS 52 HG2 LYS 52 8.264 -9.370 -5.666 430 HG3 LYS 52 HG3 LYS 52 8.578 -7.917 -6.618 431 HD2 LYS 52 HD2 LYS 52 9.353 -9.915 -7.785 432 HD3 LYS 52 HD3 LYS 52 10.709 -8.868 -7.366 433 HE2 LYS 52 HE2 LYS 52 10.999 -10.309 -5.299 434 HE3 LYS 52 HE3 LYS 52 9.857 -11.431 -6.037 435 HZ1 LYS 52 HZ1 LYS 52 11.357 -11.633 -7.935 436 HZ2 LYS 52 HZ2 LYS 52 12.122 -12.087 -6.494 437 HZ3 LYS 52 HZ3 LYS 52 12.455 -10.576 -7.193 438 HA PRO 53 HA PRO 53 8.624 -2.995 -4.687 439 HB2 PRO 53 HB2 PRO 53 10.792 -3.424 -6.716 440 HB3 PRO 53 HB3 PRO 53 10.456 -2.003 -5.716 441 HG2 PRO 53 HG2 PRO 53 12.374 -3.686 -5.009 442 HG3 PRO 53 HG3 PRO 53 11.285 -3.005 -3.784 443 HD2 PRO 53 HD2 PRO 53 11.376 -5.751 -4.921 444 HD3 PRO 53 HD3 PRO 53 10.875 -5.208 -3.307 445 H ARG 54 H ARG 54 9.208 -5.295 -7.365 446 HA ARG 54 HA ARG 54 7.893 -3.870 -9.360 447 HB2 ARG 54 HB2 ARG 54 8.517 -6.753 -8.959 448 HB3 ARG 54 HB3 ARG 54 7.436 -6.301 -10.270 449 HG2 ARG 54 HG2 ARG 54 10.251 -5.313 -9.859 450 HG3 ARG 54 HG3 ARG 54 9.716 -6.493 -11.058 451 HD2 ARG 54 HD2 ARG 54 8.179 -4.706 -11.957 452 HD3 ARG 54 HD3 ARG 54 9.013 -3.569 -10.900 453 HE ARG 54 HE ARG 54 10.836 -5.029 -12.542 454 HH11 ARG 54 HH11 ARG 54 8.581 -2.331 -12.581 455 HH12 ARG 54 HH12 ARG 54 9.413 -1.493 -13.850 456 HH21 ARG 54 HH21 ARG 54 11.908 -3.942 -14.235 457 HH22 ARG 54 HH22 ARG 54 11.308 -2.404 -14.791 458 H HIS 55 H HIS 55 6.512 -5.759 -6.775 459 HA HIS 55 HA HIS 55 3.919 -6.032 -7.920 460 HB2 HIS 55 HB2 HIS 55 4.809 -6.044 -5.029 461 HB3 HIS 55 HB3 HIS 55 3.162 -6.387 -5.548 462 HD1 HIS 55 HD1 HIS 55 3.181 -8.449 -7.510 463 HD2 HIS 55 HD2 HIS 55 6.200 -8.306 -4.654 464 HE1 HIS 55 HE1 HIS 55 4.191 -10.753 -7.464 465 HE2 HIS 55 HE2 HIS 55 5.835 -10.701 -5.561 466 H ILE 56 H ILE 56 5.387 -3.654 -5.757 467 HA ILE 56 HA ILE 56 3.091 -1.978 -5.556 468 HB ILE 56 HB ILE 56 6.026 -1.359 -5.136 469 HG12 ILE 56 HG12 ILE 56 5.233 -3.078 -3.620 470 HG13 ILE 56 HG13 ILE 56 5.460 -1.574 -2.731 471 HG21 ILE 56 HG21 ILE 56 4.810 0.692 -5.541 472 HG22 ILE 56 HG22 ILE 56 5.263 0.579 -3.841 473 HG23 ILE 56 HG23 ILE 56 3.604 0.243 -4.335 474 HD11 ILE 56 HD11 ILE 56 3.053 -1.169 -2.809 475 HD12 ILE 56 HD12 ILE 56 3.429 -2.713 -2.044 476 HD13 ILE 56 HD13 ILE 56 2.829 -2.671 -3.703 477 H ASP 57 H ASP 57 5.854 -2.163 -7.688 478 HA ASP 57 HA ASP 57 5.482 0.219 -9.128 479 HB2 ASP 57 HB2 ASP 57 7.533 -1.052 -9.292 480 HB3 ASP 57 HB3 ASP 57 6.671 -2.441 -9.940 481 H ASP 58 H ASP 58 4.023 -2.949 -9.395 482 HA ASP 58 HA ASP 58 2.763 -2.455 -11.918 483 HB2 ASP 58 HB2 ASP 58 3.319 -4.738 -11.152 484 HB3 ASP 58 HB3 ASP 58 2.117 -4.585 -9.872 485 H VAL 59 H VAL 59 1.761 -2.087 -8.545 486 HA VAL 59 HA VAL 59 -0.973 -1.628 -9.285 487 HB VAL 59 HB VAL 59 -1.364 -0.945 -6.975 488 HG11 VAL 59 HG11 VAL 59 0.345 -3.414 -7.197 489 HG12 VAL 59 HG12 VAL 59 -1.386 -3.311 -7.520 490 HG13 VAL 59 HG13 VAL 59 -0.775 -3.053 -5.885 491 HG21 VAL 59 HG21 VAL 59 0.426 -1.010 -5.310 492 HG22 VAL 59 HG22 VAL 59 0.695 0.253 -6.512 493 HG23 VAL 59 HG23 VAL 59 1.607 -1.257 -6.596 494 H LEU 60 H LEU 60 1.837 0.404 -8.684 495 HA LEU 60 HA LEU 60 0.486 2.879 -8.566 496 HB2 LEU 60 HB2 LEU 60 3.310 2.214 -9.389 497 HB3 LEU 60 HB3 LEU 60 2.721 3.848 -9.154 498 HG LEU 60 HG LEU 60 2.821 1.717 -7.021 499 HD11 LEU 60 HD11 LEU 60 4.649 3.041 -6.086 500 HD12 LEU 60 HD12 LEU 60 4.586 4.114 -7.485 501 HD13 LEU 60 HD13 LEU 60 5.045 2.424 -7.689 502 HD21 LEU 60 HD21 LEU 60 1.024 3.302 -6.640 503 HD22 LEU 60 HD22 LEU 60 2.131 4.652 -6.884 504 HD23 LEU 60 HD23 LEU 60 2.334 3.585 -5.493 505 H LYS 61 H LYS 61 1.814 1.067 -11.303 506 HA LYS 61 HA LYS 61 1.377 3.072 -13.246 507 HB2 LYS 61 HB2 LYS 61 1.648 1.319 -14.895 508 HB3 LYS 61 HB3 LYS 61 2.823 1.086 -13.607 509 HG2 LYS 61 HG2 LYS 61 1.298 -0.599 -12.608 510 HG3 LYS 61 HG3 LYS 61 0.267 -0.436 -14.027 511 HD2 LYS 61 HD2 LYS 61 3.147 -1.323 -14.018 512 HD3 LYS 61 HD3 LYS 61 1.740 -2.364 -14.220 513 HE2 LYS 61 HE2 LYS 61 1.146 -1.025 -16.242 514 HE3 LYS 61 HE3 LYS 61 2.693 -0.199 -16.076 515 HZ1 LYS 61 HZ1 LYS 61 2.221 -3.066 -16.635 516 HZ2 LYS 61 HZ2 LYS 61 3.734 -2.467 -16.168 517 HZ3 LYS 61 HZ3 LYS 61 3.020 -1.934 -17.612 518 H ALA 62 H ALA 62 -0.680 0.679 -11.778 519 HA ALA 62 HA ALA 62 -2.827 0.952 -13.654 520 HB1 ALA 62 HB1 ALA 62 -2.817 -0.267 -10.897 521 HB2 ALA 62 HB2 ALA 62 -2.475 -1.118 -12.403 522 HB3 ALA 62 HB3 ALA 62 -4.081 -0.453 -12.114 523 H VAL 63 H VAL 63 -2.178 2.190 -10.378 524 HA VAL 63 HA VAL 63 -4.691 3.413 -10.022 525 HB VAL 63 HB VAL 63 -3.714 4.635 -8.175 526 HG11 VAL 63 HG11 VAL 63 -4.220 2.304 -7.793 527 HG12 VAL 63 HG12 VAL 63 -2.775 2.762 -6.890 528 HG13 VAL 63 HG13 VAL 63 -2.626 1.838 -8.385 529 HG21 VAL 63 HG21 VAL 63 -1.638 5.375 -9.181 530 HG22 VAL 63 HG22 VAL 63 -1.042 3.715 -9.212 531 HG23 VAL 63 HG23 VAL 63 -1.316 4.524 -7.669 532 H MET 64 H MET 64 -1.860 4.427 -11.740 533 HA MET 64 HA MET 64 -2.569 7.195 -11.912 534 HB2 MET 64 HB2 MET 64 -0.664 5.516 -13.544 535 HB3 MET 64 HB3 MET 64 -0.841 7.252 -13.728 536 HG2 MET 64 HG2 MET 64 -0.130 7.550 -11.394 537 HG3 MET 64 HG3 MET 64 0.096 5.805 -11.263 538 HE1 MET 64 HE1 MET 64 3.794 7.015 -11.322 539 HE2 MET 64 HE2 MET 64 2.602 6.003 -10.508 540 HE3 MET 64 HE3 MET 64 2.421 7.758 -10.502 541 H LYS 65 H LYS 65 -2.958 4.378 -14.011 542 HA LYS 65 HA LYS 65 -3.863 5.895 -16.247 543 HB2 LYS 65 HB2 LYS 65 -4.202 3.780 -17.334 544 HB3 LYS 65 HB3 LYS 65 -2.699 3.719 -16.431 545 HG2 LYS 65 HG2 LYS 65 -3.965 2.554 -14.598 546 HG3 LYS 65 HG3 LYS 65 -5.317 2.432 -15.724 547 HD2 LYS 65 HD2 LYS 65 -2.549 1.322 -16.173 548 HD3 LYS 65 HD3 LYS 65 -3.965 0.392 -15.690 549 HE2 LYS 65 HE2 LYS 65 -5.078 0.975 -17.774 550 HE3 LYS 65 HE3 LYS 65 -3.689 1.949 -18.256 551 HZ1 LYS 65 HZ1 LYS 65 -3.602 -0.201 -19.306 552 HZ2 LYS 65 HZ2 LYS 65 -3.702 -0.986 -17.805 553 HZ3 LYS 65 HZ3 LYS 65 -2.331 -0.068 -18.190 554 H ARG 66 H ARG 66 -5.494 4.000 -13.750 555 HA ARG 66 HA ARG 66 -8.071 4.409 -14.988 556 HB2 ARG 66 HB2 ARG 66 -8.998 3.208 -13.079 557 HB3 ARG 66 HB3 ARG 66 -7.645 2.331 -13.776 558 HG2 ARG 66 HG2 ARG 66 -6.243 2.823 -11.975 559 HG3 ARG 66 HG3 ARG 66 -7.281 4.133 -11.411 560 HD2 ARG 66 HD2 ARG 66 -7.446 2.122 -9.999 561 HD3 ARG 66 HD3 ARG 66 -8.983 2.552 -10.748 562 HE ARG 66 HE ARG 66 -7.250 0.305 -11.550 563 HH11 ARG 66 HH11 ARG 66 -10.349 1.930 -11.548 564 HH12 ARG 66 HH12 ARG 66 -11.203 0.592 -12.253 565 HH21 ARG 66 HH21 ARG 66 -8.349 -1.456 -12.457 566 HH22 ARG 66 HH22 ARG 66 -10.055 -1.349 -12.782 567 H GLY 67 H GLY 67 -6.257 5.780 -12.305 568 HA2 GLY 67 HA2 GLY 67 -8.555 7.529 -11.726 569 HA3 GLY 67 HA3 GLY 67 -7.296 7.115 -10.570 570 H ALA 68 H ALA 68 -5.319 8.162 -10.649 571 HA ALA 68 HA ALA 68 -4.652 10.094 -12.624 572 HB1 ALA 68 HB1 ALA 68 -6.507 11.304 -11.544 573 HB2 ALA 68 HB2 ALA 68 -4.961 12.119 -11.312 574 HB3 ALA 68 HB3 ALA 68 -5.669 11.183 -9.996 575 HA PRO 69 HA PRO 69 -0.642 9.592 -10.791 576 HB2 PRO 69 HB2 PRO 69 0.301 12.192 -10.957 577 HB3 PRO 69 HB3 PRO 69 0.353 11.009 -12.267 578 HG2 PRO 69 HG2 PRO 69 -1.615 13.203 -11.770 579 HG3 PRO 69 HG3 PRO 69 -0.909 12.658 -13.302 580 HD2 PRO 69 HD2 PRO 69 -3.397 11.982 -12.607 581 HD3 PRO 69 HD3 PRO 69 -2.338 10.831 -13.451 582 H SER 70 H SER 70 -2.704 12.205 -9.670 583 HA SER 70 HA SER 70 -1.359 12.894 -7.321 584 HB2 SER 70 HB2 SER 70 -4.357 12.875 -7.717 585 HB3 SER 70 HB3 SER 70 -3.429 13.911 -6.632 586 HG SER 70 HG SER 70 -4.159 14.659 -8.889 587 H ILE 71 H ILE 71 -3.621 10.287 -8.021 588 HA ILE 71 HA ILE 71 -4.084 9.468 -5.363 589 HB ILE 71 HB ILE 71 -4.163 7.826 -7.903 590 HG12 ILE 71 HG12 ILE 71 -6.365 9.259 -6.397 591 HG13 ILE 71 HG13 ILE 71 -5.682 9.761 -7.939 592 HG21 ILE 71 HG21 ILE 71 -5.613 6.297 -6.641 593 HG22 ILE 71 HG22 ILE 71 -5.336 7.251 -5.185 594 HG23 ILE 71 HG23 ILE 71 -3.995 6.396 -5.946 595 HD11 ILE 71 HD11 ILE 71 -7.836 8.641 -8.201 596 HD12 ILE 71 HD12 ILE 71 -7.169 7.190 -7.451 597 HD13 ILE 71 HD13 ILE 71 -6.535 7.756 -8.996 598 H ALA 72 H ALA 72 -1.687 8.525 -7.780 599 HA ALA 72 HA ALA 72 -0.448 6.463 -6.341 600 HB1 ALA 72 HB1 ALA 72 0.771 8.338 -8.367 601 HB2 ALA 72 HB2 ALA 72 -0.066 6.827 -8.723 602 HB3 ALA 72 HB3 ALA 72 1.456 6.802 -7.834 603 H ASN 73 H ASN 73 0.036 9.950 -6.311 604 HA ASN 73 HA ASN 73 2.386 10.077 -4.813 605 HB2 ASN 73 HB2 ASN 73 1.520 11.993 -5.995 606 HB3 ASN 73 HB3 ASN 73 0.039 11.966 -5.049 607 HD21 ASN 73 HD21 ASN 73 0.260 14.024 -4.342 608 HD22 ASN 73 HD22 ASN 73 1.464 14.499 -3.204 609 H ASP 74 H ASP 74 -1.011 10.258 -3.749 610 HA ASP 74 HA ASP 74 -0.371 10.322 -0.984 611 HB2 ASP 74 HB2 ASP 74 -2.903 9.816 -2.517 612 HB3 ASP 74 HB3 ASP 74 -2.855 9.601 -0.770 613 H THR 75 H THR 75 -1.213 7.706 -3.212 614 HA THR 75 HA THR 75 -1.380 5.659 -1.298 615 HB THR 75 HB THR 75 -0.578 5.494 -4.214 616 HG1 THR 75 HG1 THR 75 -2.864 4.709 -4.297 617 HG21 THR 75 HG21 THR 75 0.153 3.489 -3.017 618 HG22 THR 75 HG22 THR 75 -1.218 3.122 -4.063 619 HG23 THR 75 HG23 THR 75 -1.459 3.301 -2.325 620 H LEU 76 H LEU 76 1.401 6.962 -3.096 621 HA LEU 76 HA LEU 76 3.354 5.151 -2.271 622 HB2 LEU 76 HB2 LEU 76 3.482 8.074 -2.955 623 HB3 LEU 76 HB3 LEU 76 4.918 7.191 -2.474 624 HG LEU 76 HG LEU 76 3.178 6.454 -4.827 625 HD11 LEU 76 HD11 LEU 76 4.971 7.366 -6.205 626 HD12 LEU 76 HD12 LEU 76 5.826 7.898 -4.758 627 HD13 LEU 76 HD13 LEU 76 4.269 8.613 -5.175 628 HD21 LEU 76 HD21 LEU 76 5.890 5.482 -3.931 629 HD22 LEU 76 HD22 LEU 76 5.084 5.030 -5.434 630 HD23 LEU 76 HD23 LEU 76 4.383 4.567 -3.882 631 H ARG 77 H ARG 77 2.220 8.112 -0.668 632 HA ARG 77 HA ARG 77 3.953 8.077 1.524 633 HB2 ARG 77 HB2 ARG 77 1.093 9.028 1.313 634 HB3 ARG 77 HB3 ARG 77 2.103 9.298 2.726 635 HG2 ARG 77 HG2 ARG 77 3.656 10.600 1.401 636 HG3 ARG 77 HG3 ARG 77 2.708 10.281 -0.054 637 HD2 ARG 77 HD2 ARG 77 0.818 11.466 0.877 638 HD3 ARG 77 HD3 ARG 77 1.679 11.703 2.396 639 HE ARG 77 HE ARG 77 3.276 13.078 1.062 640 HH11 ARG 77 HH11 ARG 77 -0.007 12.606 -0.037 641 HH12 ARG 77 HH12 ARG 77 -0.074 14.102 -0.918 642 HH21 ARG 77 HH21 ARG 77 3.206 15.058 -0.086 643 HH22 ARG 77 HH22 ARG 77 1.773 15.488 -0.967 644 H TRP 78 H TRP 78 0.762 6.589 1.132 645 HA TRP 78 HA TRP 78 0.623 5.450 3.712 646 HB2 TRP 78 HB2 TRP 78 -1.289 5.821 2.085 647 HB3 TRP 78 HB3 TRP 78 -0.726 4.399 1.218 648 HD1 TRP 78 HD1 TRP 78 -1.075 2.011 2.421 649 HE1 TRP 78 HE1 TRP 78 -2.686 1.264 4.283 650 HE3 TRP 78 HE3 TRP 78 -2.426 6.600 4.216 651 HZ2 TRP 78 HZ2 TRP 78 -4.313 2.461 6.251 652 HZ3 TRP 78 HZ3 TRP 78 -4.014 6.713 6.091 653 HH2 TRP 78 HH2 TRP 78 -4.937 4.684 7.086 654 H LEU 79 H LEU 79 1.752 4.201 0.597 655 HA LEU 79 HA LEU 79 2.231 1.554 1.389 656 HB2 LEU 79 HB2 LEU 79 3.613 3.228 -0.704 657 HB3 LEU 79 HB3 LEU 79 3.828 1.499 -0.527 658 HG LEU 79 HG LEU 79 1.207 2.846 -1.164 659 HD11 LEU 79 HD11 LEU 79 3.128 1.356 -2.948 660 HD12 LEU 79 HD12 LEU 79 2.781 3.085 -2.999 661 HD13 LEU 79 HD13 LEU 79 1.522 1.921 -3.412 662 HD21 LEU 79 HD21 LEU 79 0.445 0.573 -1.657 663 HD22 LEU 79 HD22 LEU 79 0.935 0.741 0.029 664 HD23 LEU 79 HD23 LEU 79 2.001 -0.063 -1.122 665 H LYS 80 H LYS 80 4.421 4.367 1.331 666 HA LYS 80 HA LYS 80 6.685 2.940 2.186 667 HB2 LYS 80 HB2 LYS 80 7.008 5.033 1.103 668 HB3 LYS 80 HB3 LYS 80 5.971 5.868 2.251 669 HG2 LYS 80 HG2 LYS 80 8.309 4.527 3.418 670 HG3 LYS 80 HG3 LYS 80 8.663 5.882 2.341 671 HD2 LYS 80 HD2 LYS 80 6.640 6.059 4.555 672 HD3 LYS 80 HD3 LYS 80 8.346 6.421 4.799 673 HE2 LYS 80 HE2 LYS 80 6.663 7.737 2.683 674 HE3 LYS 80 HE3 LYS 80 6.863 8.400 4.302 675 HZ1 LYS 80 HZ1 LYS 80 9.263 8.492 3.921 676 HZ2 LYS 80 HZ2 LYS 80 8.426 9.406 2.762 677 HZ3 LYS 80 HZ3 LYS 80 9.053 7.883 2.351 678 H ARG 81 H ARG 81 4.197 4.740 3.944 679 HA ARG 81 HA ARG 81 5.312 4.442 6.522 680 HB2 ARG 81 HB2 ARG 81 2.464 4.803 5.603 681 HB3 ARG 81 HB3 ARG 81 2.920 4.748 7.297 682 HG2 ARG 81 HG2 ARG 81 4.331 6.718 6.980 683 HG3 ARG 81 HG3 ARG 81 3.861 6.772 5.278 684 HD2 ARG 81 HD2 ARG 81 1.558 7.123 5.871 685 HD3 ARG 81 HD3 ARG 81 1.925 6.909 7.580 686 HE ARG 81 HE ARG 81 3.312 9.085 6.252 687 HH11 ARG 81 HH11 ARG 81 0.549 8.084 8.154 688 HH12 ARG 81 HH12 ARG 81 0.227 9.680 8.765 689 HH21 ARG 81 HH21 ARG 81 2.899 11.188 7.076 690 HH22 ARG 81 HH22 ARG 81 1.559 11.431 8.154 691 H MET 82 H MET 82 3.024 2.467 4.682 692 HA MET 82 HA MET 82 2.433 0.596 6.684 693 HB2 MET 82 HB2 MET 82 1.136 0.832 4.612 694 HB3 MET 82 HB3 MET 82 2.491 0.206 3.685 695 HG2 MET 82 HG2 MET 82 2.301 -1.934 4.816 696 HG3 MET 82 HG3 MET 82 0.975 -1.309 5.797 697 HE1 MET 82 HE1 MET 82 1.670 -0.589 2.005 698 HE2 MET 82 HE2 MET 82 0.706 -1.841 1.220 699 HE3 MET 82 HE3 MET 82 2.133 -2.285 2.159 700 H PHE 83 H PHE 83 4.924 0.545 4.151 701 HA PHE 83 HA PHE 83 6.023 -1.934 5.075 702 HB2 PHE 83 HB2 PHE 83 7.089 0.148 3.163 703 HB3 PHE 83 HB3 PHE 83 7.905 -1.374 3.512 704 HD1 PHE 83 HD1 PHE 83 5.981 -3.400 3.486 705 HD2 PHE 83 HD2 PHE 83 6.084 0.120 1.098 706 HE1 PHE 83 HE1 PHE 83 4.645 -4.536 1.761 707 HE2 PHE 83 HE2 PHE 83 4.745 -1.008 -0.628 708 HZ PHE 83 HZ PHE 83 4.023 -3.339 -0.296 709 H ASN 84 H ASN 84 6.481 1.409 5.844 710 HA ASN 84 HA ASN 84 8.954 1.146 7.216 711 HB2 ASN 84 HB2 ASN 84 8.028 3.334 6.519 712 HB3 ASN 84 HB3 ASN 84 6.713 3.135 7.672 713 HD21 ASN 84 HD21 ASN 84 7.068 3.537 9.808 714 HD22 ASN 84 HD22 ASN 84 8.535 4.224 10.421 715 H TYR 85 H TYR 85 5.587 0.683 8.104 716 HA TYR 85 HA TYR 85 5.917 0.273 10.865 717 HB2 TYR 85 HB2 TYR 85 3.709 0.548 9.887 718 HB3 TYR 85 HB3 TYR 85 3.908 -0.919 8.936 719 HD1 TYR 85 HD2 TYR 85 3.498 0.375 12.382 720 HD2 TYR 85 HD1 TYR 85 3.440 -3.048 9.855 721 HE1 TYR 85 HE2 TYR 85 2.535 -0.959 14.213 722 HE2 TYR 85 HE1 TYR 85 2.481 -4.384 11.675 723 HH TYR 85 HH TYR 85 1.103 -3.112 14.383 724 H ALA 86 H ALA 86 6.381 -1.852 8.096 725 HA ALA 86 HA ALA 86 6.747 -4.252 9.550 726 HB1 ALA 86 HB1 ALA 86 7.762 -5.118 7.505 727 HB2 ALA 86 HB2 ALA 86 7.852 -3.481 6.851 728 HB3 ALA 86 HB3 ALA 86 6.282 -4.227 7.151 729 H ILE 87 H ILE 87 8.874 -1.622 8.650 730 HA ILE 87 HA ILE 87 11.262 -2.905 9.619 731 HB ILE 87 HB ILE 87 10.772 0.020 9.009 732 HG12 ILE 87 HG12 ILE 87 12.017 -2.153 7.304 733 HG13 ILE 87 HG13 ILE 87 10.413 -1.469 7.066 734 HG21 ILE 87 HG21 ILE 87 12.693 -0.309 10.473 735 HG22 ILE 87 HG22 ILE 87 13.221 0.176 8.862 736 HG23 ILE 87 HG23 ILE 87 13.354 -1.511 9.363 737 HD11 ILE 87 HD11 ILE 87 11.409 0.707 6.608 738 HD12 ILE 87 HD12 ILE 87 12.012 -0.532 5.506 739 HD13 ILE 87 HD13 ILE 87 13.017 0.022 6.847 740 H LYS 88 H LYS 88 8.875 -0.637 10.813 741 HA LYS 88 HA LYS 88 9.980 -0.003 13.298 742 HB2 LYS 88 HB2 LYS 88 8.069 1.174 12.438 743 HB3 LYS 88 HB3 LYS 88 7.120 -0.297 12.364 744 HG2 LYS 88 HG2 LYS 88 8.114 0.627 15.013 745 HG3 LYS 88 HG3 LYS 88 6.765 1.481 14.260 746 HD2 LYS 88 HD2 LYS 88 5.751 -0.873 13.942 747 HD3 LYS 88 HD3 LYS 88 6.935 -1.381 15.147 748 HE2 LYS 88 HE2 LYS 88 4.800 0.717 15.487 749 HE3 LYS 88 HE3 LYS 88 4.810 -0.892 16.201 750 HZ1 LYS 88 HZ1 LYS 88 5.520 0.614 17.860 751 HZ2 LYS 88 HZ2 LYS 88 6.614 1.377 16.822 752 HZ3 LYS 88 HZ3 LYS 88 6.916 -0.208 17.350 753 H ARG 89 H ARG 89 7.837 -2.688 12.377 754 HA ARG 89 HA ARG 89 8.032 -4.009 14.904 755 HB2 ARG 89 HB2 ARG 89 7.002 -4.758 12.202 756 HB3 ARG 89 HB3 ARG 89 7.316 -6.034 13.367 757 HG2 ARG 89 HG2 ARG 89 5.838 -4.708 14.964 758 HG3 ARG 89 HG3 ARG 89 5.337 -3.791 13.537 759 HD2 ARG 89 HD2 ARG 89 4.548 -5.789 12.461 760 HD3 ARG 89 HD3 ARG 89 5.216 -6.798 13.740 761 HE ARG 89 HE ARG 89 2.917 -4.966 14.078 762 HH11 ARG 89 HH11 ARG 89 4.717 -7.838 14.973 763 HH12 ARG 89 HH12 ARG 89 3.470 -8.453 16.007 764 HH21 ARG 89 HH21 ARG 89 1.239 -5.806 15.393 765 HH22 ARG 89 HH22 ARG 89 1.484 -7.323 16.216 766 H HIS 90 H HIS 90 10.173 -3.611 12.355 767 HA HIS 90 HA HIS 90 12.195 -4.462 11.818 768 HB2 HIS 90 HB2 HIS 90 11.959 -5.530 14.628 769 HB3 HIS 90 HB3 HIS 90 13.395 -5.776 13.639 770 HD1 HIS 90 HD1 HIS 90 11.949 -3.436 15.993 771 HD2 HIS 90 HD2 HIS 90 14.529 -3.200 12.741 772 HE1 HIS 90 HE1 HIS 90 13.135 -1.234 16.226 773 HE2 HIS 90 HE2 HIS 90 14.621 -1.066 14.192 774 H ILE 91 H ILE 91 10.014 -5.761 10.825 775 HA ILE 91 HA ILE 91 10.387 -8.623 11.073 776 HB ILE 91 HB ILE 91 8.626 -7.021 9.205 777 HG12 ILE 91 HG12 ILE 91 7.941 -8.555 11.720 778 HG13 ILE 91 HG13 ILE 91 8.034 -6.801 11.599 779 HG21 ILE 91 HG21 ILE 91 7.465 -9.141 8.782 780 HG22 ILE 91 HG22 ILE 91 8.666 -9.986 9.757 781 HG23 ILE 91 HG23 ILE 91 9.147 -9.198 8.256 782 HD11 ILE 91 HD11 ILE 91 6.096 -8.580 10.135 783 HD12 ILE 91 HD12 ILE 91 6.186 -6.825 10.000 784 HD13 ILE 91 HD13 ILE 91 5.734 -7.569 11.535 785 H ILE 92 H ILE 92 10.522 -6.315 8.354 786 HA ILE 92 HA ILE 92 12.512 -8.082 7.092 787 HB ILE 92 HB ILE 92 11.730 -7.302 4.902 788 HG12 ILE 92 HG12 ILE 92 9.427 -6.003 6.364 789 HG13 ILE 92 HG13 ILE 92 10.823 -5.111 5.773 790 HG21 ILE 92 HG21 ILE 92 10.821 -9.370 5.757 791 HG22 ILE 92 HG22 ILE 92 9.572 -8.498 4.866 792 HG23 ILE 92 HG23 ILE 92 9.564 -8.491 6.628 793 HD11 ILE 92 HD11 ILE 92 10.285 -5.815 3.489 794 HD12 ILE 92 HD12 ILE 92 8.968 -4.914 4.240 795 HD13 ILE 92 HD13 ILE 92 8.867 -6.670 4.099 796 H GLU 93 H GLU 93 14.066 -7.040 5.729 797 HA GLU 93 HA GLU 93 14.451 -4.180 6.278 798 HB2 GLU 93 HB2 GLU 93 16.085 -5.505 7.534 799 HB3 GLU 93 HB3 GLU 93 16.580 -6.317 6.059 800 HG2 GLU 93 HG2 GLU 93 17.466 -4.266 5.168 801 HG3 GLU 93 HG3 GLU 93 16.866 -3.365 6.559 802 H TYR 94 H TYR 94 13.414 -3.640 4.361 803 HA TYR 94 HA TYR 94 14.963 -3.829 1.947 804 HB2 TYR 94 HB2 TYR 94 12.598 -5.565 2.368 805 HB3 TYR 94 HB3 TYR 94 12.644 -4.701 0.837 806 HD1 TYR 94 HD1 TYR 94 14.746 -4.952 -0.593 807 HD2 TYR 94 HD2 TYR 94 13.810 -7.552 2.640 808 HE1 TYR 94 HE1 TYR 94 16.252 -6.647 -1.531 809 HE2 TYR 94 HE2 TYR 94 15.320 -9.258 1.710 810 HH TYR 94 HH TYR 94 17.509 -8.556 -0.859 811 H ASN 95 H ASN 95 11.656 -3.234 3.107 812 HA ASN 95 HA ASN 95 10.110 -1.659 2.674 813 HB2 ASN 95 HB2 ASN 95 11.986 -0.210 3.646 814 HB3 ASN 95 HB3 ASN 95 12.333 0.254 1.982 815 HD21 ASN 95 HD21 ASN 95 10.068 0.440 4.597 816 HD22 ASN 95 HD22 ASN 95 9.091 1.695 3.930 817 HA PRO 96 HA PRO 96 10.321 -2.630 -1.803 818 HB2 PRO 96 HB2 PRO 96 7.439 -3.065 -1.408 819 HB3 PRO 96 HB3 PRO 96 8.663 -4.161 -2.057 820 HG2 PRO 96 HG2 PRO 96 7.566 -4.546 0.364 821 HG3 PRO 96 HG3 PRO 96 9.261 -4.941 0.031 822 HD2 PRO 96 HD2 PRO 96 8.110 -2.558 1.428 823 HD3 PRO 96 HD3 PRO 96 9.542 -3.524 1.843 824 H ALA 97 H ALA 97 8.816 -0.187 -0.028 825 HA ALA 97 HA ALA 97 7.228 0.991 -2.096 826 HB1 ALA 97 HB1 ALA 97 6.770 1.422 0.268 827 HB2 ALA 97 HB2 ALA 97 7.091 2.923 -0.603 828 HB3 ALA 97 HB3 ALA 97 8.336 2.218 0.429 829 H ALA 98 H ALA 98 10.532 0.819 -1.441 830 HA ALA 98 HA ALA 98 11.439 3.273 -2.515 831 HB1 ALA 98 HB1 ALA 98 13.623 2.217 -2.578 832 HB2 ALA 98 HB2 ALA 98 12.882 0.633 -2.343 833 HB3 ALA 98 HB3 ALA 98 12.798 1.843 -1.064 834 H ALA 99 H ALA 99 9.832 0.829 -4.025 835 HA ALA 99 HA ALA 99 11.154 0.404 -6.443 836 HB1 ALA 99 HB1 ALA 99 9.197 -0.872 -5.697 837 HB2 ALA 99 HB2 ALA 99 8.986 -0.239 -7.330 838 HB3 ALA 99 HB3 ALA 99 8.181 0.543 -5.969 839 H PHE 100 H PHE 100 9.285 3.136 -5.337 840 HA PHE 100 HA PHE 100 9.829 4.464 -7.906 841 HB2 PHE 100 HB2 PHE 100 7.388 3.793 -7.581 842 HB3 PHE 100 HB3 PHE 100 7.342 4.949 -6.256 843 HD1 PHE 100 HD1 PHE 100 7.455 7.341 -6.687 844 HD2 PHE 100 HD2 PHE 100 7.491 4.512 -9.863 845 HE1 PHE 100 HE1 PHE 100 6.943 9.140 -8.289 846 HE2 PHE 100 HE2 PHE 100 6.982 6.300 -11.469 847 HZ PHE 100 HZ PHE 100 6.707 8.616 -10.685 848 H ASP 101 H ASP 101 10.814 6.398 -7.716 849 HA ASP 101 HA ASP 101 11.113 7.468 -4.992 850 HB2 ASP 101 HB2 ASP 101 13.244 6.806 -5.865 851 HB3 ASP 101 HB3 ASP 101 12.942 7.637 -7.390 852 HA PRO 102 HA PRO 102 9.008 11.001 -6.848 853 HB2 PRO 102 HB2 PRO 102 7.405 11.539 -4.786 854 HB3 PRO 102 HB3 PRO 102 7.069 10.182 -5.867 855 HG2 PRO 102 HG2 PRO 102 8.167 10.173 -3.107 856 HG3 PRO 102 HG3 PRO 102 7.150 8.973 -3.920 857 HD2 PRO 102 HD2 PRO 102 9.965 8.881 -3.585 858 HD3 PRO 102 HD3 PRO 102 8.969 7.794 -4.570 859 H GLY 103 H GLY 103 11.225 10.557 -4.384 860 HA2 GLY 103 HA2 GLY 103 12.679 12.041 -3.384 861 HA3 GLY 103 HA3 GLY 103 11.813 13.364 -4.154 862 H ASP 104 H ASP 104 12.383 14.125 -1.860 863 HA ASP 104 HA ASP 104 9.971 13.702 -0.215 864 HB2 ASP 104 HB2 ASP 104 12.812 14.104 0.748 865 HB3 ASP 104 HB3 ASP 104 11.402 14.236 1.792 866 H ALA 105 H ALA 105 12.430 15.866 -1.425 867 HA ALA 105 HA ALA 105 10.650 18.128 -1.045 868 HB1 ALA 105 HB1 ALA 105 12.307 19.496 0.106 869 HB2 ALA 105 HB2 ALA 105 13.418 18.127 0.161 870 HB3 ALA 105 HB3 ALA 105 11.901 18.069 1.059 871 H GLY 106 H GLY 106 10.573 18.902 -3.054 872 HA2 GLY 106 HA2 GLY 106 12.937 19.922 -4.292 873 HA3 GLY 106 HA3 GLY 106 12.346 18.483 -5.107 874 H GLY 107 H GLY 107 12.268 21.754 -5.123 875 HA2 GLY 107 HA2 GLY 107 10.370 21.798 -7.236 876 HA3 GLY 107 HA3 GLY 107 9.701 22.518 -5.773 877 H LYS 108 H LYS 108 11.306 24.033 -4.663 878 HA LYS 108 HA LYS 108 13.342 25.310 -6.119 879 HB2 LYS 108 HB2 LYS 108 12.195 27.546 -6.361 880 HB3 LYS 108 HB3 LYS 108 11.685 26.304 -7.494 881 HG2 LYS 108 HG2 LYS 108 9.662 25.924 -6.249 882 HG3 LYS 108 HG3 LYS 108 10.188 27.037 -4.984 883 HD2 LYS 108 HD2 LYS 108 9.598 27.745 -7.858 884 HD3 LYS 108 HD3 LYS 108 8.596 28.129 -6.456 885 HE2 LYS 108 HE2 LYS 108 10.448 29.444 -5.522 886 HE3 LYS 108 HE3 LYS 108 11.402 29.096 -6.961 887 HZ1 LYS 108 HZ1 LYS 108 10.365 31.279 -7.057 888 HZ2 LYS 108 HZ2 LYS 108 8.826 30.579 -6.925 889 HZ3 LYS 108 HZ3 LYS 108 9.780 30.279 -8.295 890 H LEU 109 H LEU 109 10.813 25.813 -3.697 891 HA LEU 109 HA LEU 109 10.797 26.830 -1.661 892 HB2 LEU 109 HB2 LEU 109 11.796 24.595 -1.263 893 HB3 LEU 109 HB3 LEU 109 13.389 25.317 -1.386 894 HG LEU 109 HG LEU 109 12.933 26.690 0.596 895 HD11 LEU 109 HD11 LEU 109 10.525 26.934 0.349 896 HD12 LEU 109 HD12 LEU 109 10.925 26.275 1.936 897 HD13 LEU 109 HD13 LEU 109 10.304 25.214 0.671 898 HD21 LEU 109 HD21 LEU 109 12.926 24.883 2.246 899 HD22 LEU 109 HD22 LEU 109 13.973 24.501 0.878 900 HD23 LEU 109 HD23 LEU 109 12.382 23.752 1.006 901 H GLU 110 H GLU 110 11.137 28.964 -2.623 902 HA GLU 110 HA GLU 110 13.753 30.089 -1.886 903 HB2 GLU 110 HB2 GLU 110 13.444 31.803 -3.540 904 HB3 GLU 110 HB3 GLU 110 13.183 30.246 -4.317 905 HG2 GLU 110 HG2 GLU 110 10.917 30.587 -4.543 906 HG3 GLU 110 HG3 GLU 110 10.857 31.761 -3.229 907 H HIS 111 H HIS 111 13.707 32.300 -1.088 908 HA HIS 111 HA HIS 111 11.120 33.305 -0.189 909 HB2 HIS 111 HB2 HIS 111 13.506 32.888 1.626 910 HB3 HIS 111 HB3 HIS 111 12.157 33.942 2.030 911 HD1 HIS 111 HD1 HIS 111 9.744 32.647 2.096 912 HD2 HIS 111 HD2 HIS 111 13.168 30.306 2.390 913 HE1 HIS 111 HE1 HIS 111 8.982 30.450 3.054 914 HE2 HIS 111 HE2 HIS 111 11.096 29.113 3.392 915 H HIS 112 H HIS 112 11.058 35.119 -1.381 916 HA HIS 112 HA HIS 112 13.496 36.749 -1.468 917 HB2 HIS 112 HB2 HIS 112 12.355 38.032 -3.293 918 HB3 HIS 112 HB3 HIS 112 12.693 36.353 -3.678 919 HD1 HIS 112 HD1 HIS 112 10.750 34.877 -4.290 920 HD2 HIS 112 HD2 HIS 112 9.582 38.636 -2.937 921 HE1 HIS 112 HE1 HIS 112 8.297 35.058 -4.819 922 HE2 HIS 112 HE2 HIS 112 7.670 37.419 -4.197 923 H HIS 113 H HIS 113 13.684 38.531 -0.383 924 HA HIS 113 HA HIS 113 11.294 39.632 0.940 925 HB2 HIS 113 HB2 HIS 113 12.742 38.294 2.475 926 HB3 HIS 113 HB3 HIS 113 14.076 39.383 2.120 927 HD1 HIS 113 HD1 HIS 113 14.174 41.567 3.382 928 HD2 HIS 113 HD2 HIS 113 10.660 39.446 4.060 929 HE1 HIS 113 HE1 HIS 113 13.033 42.731 5.297 930 HE2 HIS 113 HE2 HIS 113 11.008 41.318 5.810 931 H HIS 114 H HIS 114 10.977 41.728 0.551 932 HA HIS 114 HA HIS 114 13.083 43.244 -0.773 933 HB2 HIS 114 HB2 HIS 114 10.131 43.606 -0.449 934 HB3 HIS 114 HB3 HIS 114 11.134 45.001 -0.832 935 HD1 HIS 114 HD1 HIS 114 8.966 43.179 -2.628 936 HD2 HIS 114 HD2 HIS 114 13.078 43.658 -3.068 937 HE1 HIS 114 HE1 HIS 114 9.461 42.693 -5.051 938 HE2 HIS 114 HE2 HIS 114 11.971 42.812 -5.245 939 H HIS 115 H HIS 115 14.391 44.513 0.294 940 HA HIS 115 HA HIS 115 13.301 46.077 2.537 941 HB2 HIS 115 HB2 HIS 115 14.916 44.407 3.411 942 HB3 HIS 115 HB3 HIS 115 16.142 45.037 2.316 943 HD1 HIS 115 HD1 HIS 115 14.422 45.732 5.543 944 HD2 HIS 115 HD2 HIS 115 17.227 47.551 3.070 945 HE1 HIS 115 HE1 HIS 115 15.409 47.606 6.894 946 HE2 HIS 115 HE2 HIS 115 16.926 48.823 5.300 947 H HIS 116 H HIS 116 13.172 48.108 1.932 948 HA HIS 116 HA HIS 116 14.690 49.013 -0.388 949 HB2 HIS 116 HB2 HIS 116 12.146 49.349 0.019 950 HB3 HIS 116 HB3 HIS 116 12.646 50.646 1.097 951 HD1 HIS 116 HD1 HIS 116 13.782 52.738 -0.010 952 HD2 HIS 116 HD2 HIS 116 12.324 49.893 -2.678 953 HE1 HIS 116 HE1 HIS 116 13.724 53.872 -2.261 954 HE2 HIS 116 HE2 HIS 116 12.865 52.126 -3.866 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -5.365 -8.296 13.084 2 H2 MET 1 H2 MET 1 -4.373 -9.386 12.264 3 H3 MET 1 H3 MET 1 -3.932 -8.842 13.805 4 HA MET 1 HA MET 1 -5.921 -9.902 14.728 5 HB2 MET 1 HB2 MET 1 -7.203 -9.840 12.600 6 HB3 MET 1 HB3 MET 1 -6.154 -11.096 11.958 7 HG2 MET 1 HG2 MET 1 -6.930 -12.638 13.671 8 HG3 MET 1 HG3 MET 1 -7.954 -11.380 14.355 9 HE1 MET 1 HE1 MET 1 -9.137 -14.189 13.633 10 HE2 MET 1 HE2 MET 1 -10.615 -13.747 12.779 11 HE3 MET 1 HE3 MET 1 -10.130 -12.852 14.218 12 H ALA 2 H ALA 2 -3.801 -11.381 12.260 13 HA ALA 2 HA ALA 2 -2.011 -12.760 12.471 14 HB1 ALA 2 HB1 ALA 2 -1.423 -11.574 14.529 15 HB2 ALA 2 HB2 ALA 2 -1.024 -13.289 14.615 16 HB3 ALA 2 HB3 ALA 2 -2.452 -12.673 15.445 17 H GLU 3 H GLU 3 -4.240 -13.782 15.006 18 HA GLU 3 HA GLU 3 -5.494 -15.651 15.309 19 HB2 GLU 3 HB2 GLU 3 -4.833 -16.249 12.428 20 HB3 GLU 3 HB3 GLU 3 -6.018 -17.111 13.396 21 HG2 GLU 3 HG2 GLU 3 -7.386 -15.155 13.561 22 HG3 GLU 3 HG3 GLU 3 -6.156 -14.181 12.751 23 H LYS 4 H LYS 4 -3.146 -16.973 12.999 24 HA LYS 4 HA LYS 4 -2.665 -19.101 14.956 25 HB2 LYS 4 HB2 LYS 4 -1.978 -20.459 12.969 26 HB3 LYS 4 HB3 LYS 4 -3.655 -19.939 12.947 27 HG2 LYS 4 HG2 LYS 4 -2.701 -17.960 11.516 28 HG3 LYS 4 HG3 LYS 4 -1.380 -19.093 11.224 29 HD2 LYS 4 HD2 LYS 4 -2.960 -19.360 9.457 30 HD3 LYS 4 HD3 LYS 4 -3.108 -20.771 10.508 31 HE2 LYS 4 HE2 LYS 4 -5.070 -19.833 11.557 32 HE3 LYS 4 HE3 LYS 4 -4.883 -18.336 10.647 33 HZ1 LYS 4 HZ1 LYS 4 -5.229 -19.624 8.599 34 HZ2 LYS 4 HZ2 LYS 4 -6.569 -19.673 9.638 35 HZ3 LYS 4 HZ3 LYS 4 -5.529 -21.011 9.533 36 H ASN 5 H ASN 5 -0.867 -17.422 12.365 37 HA ASN 5 HA ASN 5 1.370 -16.803 13.955 38 HB2 ASN 5 HB2 ASN 5 1.719 -19.249 13.944 39 HB3 ASN 5 HB3 ASN 5 1.688 -19.246 12.186 40 HD21 ASN 5 HD21 ASN 5 3.529 -18.504 15.025 41 HD22 ASN 5 HD22 ASN 5 5.038 -18.209 14.220 42 H ALA 6 H ALA 6 2.505 -15.280 12.923 43 HA ALA 6 HA ALA 6 3.376 -13.948 11.315 44 HB1 ALA 6 HB1 ALA 6 3.808 -14.847 9.097 45 HB2 ALA 6 HB2 ALA 6 2.748 -16.215 9.433 46 HB3 ALA 6 HB3 ALA 6 4.241 -16.013 10.347 47 H TYR 7 H TYR 7 2.796 -13.155 8.895 48 HA TYR 7 HA TYR 7 -0.091 -12.699 8.704 49 HB2 TYR 7 HB2 TYR 7 1.966 -10.471 8.616 50 HB3 TYR 7 HB3 TYR 7 0.232 -10.291 8.407 51 HD1 TYR 7 HD1 TYR 7 2.898 -11.018 10.858 52 HD2 TYR 7 HD2 TYR 7 -1.218 -10.090 10.299 53 HE1 TYR 7 HE1 TYR 7 2.682 -10.563 13.263 54 HE2 TYR 7 HE2 TYR 7 -1.444 -9.637 12.707 55 HH TYR 7 HH TYR 7 -0.417 -9.986 14.764 56 H THR 8 H THR 8 -0.592 -11.576 6.576 57 HA THR 8 HA THR 8 1.517 -12.026 4.567 58 HB THR 8 HB THR 8 -0.230 -12.124 2.853 59 HG1 THR 8 HG1 THR 8 -2.340 -11.856 3.326 60 HG21 THR 8 HG21 THR 8 0.468 -14.223 3.920 61 HG22 THR 8 HG22 THR 8 -1.224 -14.279 3.424 62 HG23 THR 8 HG23 THR 8 -0.809 -14.034 5.121 63 H VAL 9 H VAL 9 0.833 -10.392 2.573 64 HA VAL 9 HA VAL 9 1.374 -7.806 3.551 65 HB VAL 9 HB VAL 9 2.041 -8.464 1.314 66 HG11 VAL 9 HG11 VAL 9 0.178 -9.910 0.747 67 HG12 VAL 9 HG12 VAL 9 0.424 -8.690 -0.502 68 HG13 VAL 9 HG13 VAL 9 -0.897 -8.514 0.653 69 HG21 VAL 9 HG21 VAL 9 0.067 -6.182 1.302 70 HG22 VAL 9 HG22 VAL 9 1.291 -6.471 0.064 71 HG23 VAL 9 HG23 VAL 9 1.780 -6.093 1.715 72 H ALA 10 H ALA 10 -1.624 -9.461 2.813 73 HA ALA 10 HA ALA 10 -3.286 -7.148 2.892 74 HB1 ALA 10 HB1 ALA 10 -5.148 -8.713 3.050 75 HB2 ALA 10 HB2 ALA 10 -4.020 -10.037 3.352 76 HB3 ALA 10 HB3 ALA 10 -4.010 -9.207 1.795 77 H GLN 11 H GLN 11 -2.617 -9.727 5.277 78 HA GLN 11 HA GLN 11 -4.183 -8.618 7.323 79 HB2 GLN 11 HB2 GLN 11 -1.912 -10.573 7.332 80 HB3 GLN 11 HB3 GLN 11 -2.564 -9.971 8.849 81 HG2 GLN 11 HG2 GLN 11 -3.752 -11.911 8.553 82 HG3 GLN 11 HG3 GLN 11 -4.847 -10.715 7.867 83 HE21 GLN 11 HE21 GLN 11 -2.711 -13.357 7.233 84 HE22 GLN 11 HE22 GLN 11 -3.194 -13.621 5.590 85 H LEU 12 H LEU 12 -0.890 -7.969 6.332 86 HA LEU 12 HA LEU 12 -0.021 -6.525 8.574 87 HB2 LEU 12 HB2 LEU 12 1.484 -7.241 6.785 88 HB3 LEU 12 HB3 LEU 12 0.689 -6.158 5.660 89 HG LEU 12 HG LEU 12 1.467 -4.228 7.010 90 HD11 LEU 12 HD11 LEU 12 3.008 -6.315 8.543 91 HD12 LEU 12 HD12 LEU 12 1.663 -5.360 9.162 92 HD13 LEU 12 HD13 LEU 12 3.173 -4.568 8.717 93 HD21 LEU 12 HD21 LEU 12 3.792 -4.345 6.304 94 HD22 LEU 12 HD22 LEU 12 2.731 -5.007 5.061 95 HD23 LEU 12 HD23 LEU 12 3.658 -6.090 6.100 96 H ALA 13 H ALA 13 -1.707 -5.464 5.642 97 HA ALA 13 HA ALA 13 -1.755 -2.714 6.282 98 HB1 ALA 13 HB1 ALA 13 -3.390 -2.508 4.508 99 HB2 ALA 13 HB2 ALA 13 -3.652 -4.251 4.515 100 HB3 ALA 13 HB3 ALA 13 -2.094 -3.595 4.011 101 H ASP 14 H ASP 14 -4.130 -5.310 6.755 102 HA ASP 14 HA ASP 14 -6.110 -3.600 7.873 103 HB2 ASP 14 HB2 ASP 14 -5.784 -6.592 7.788 104 HB3 ASP 14 HB3 ASP 14 -7.123 -5.829 8.640 105 H GLU 15 H GLU 15 -3.415 -5.368 9.229 106 HA GLU 15 HA GLU 15 -4.212 -5.067 11.958 107 HB2 GLU 15 HB2 GLU 15 -2.507 -6.715 11.193 108 HB3 GLU 15 HB3 GLU 15 -1.425 -5.383 10.813 109 HG2 GLU 15 HG2 GLU 15 -0.819 -6.373 12.924 110 HG3 GLU 15 HG3 GLU 15 -1.410 -4.731 13.172 111 H TYR 16 H TYR 16 -2.192 -3.241 9.723 112 HA TYR 16 HA TYR 16 -1.455 -1.160 11.474 113 HB2 TYR 16 HB2 TYR 16 -0.394 -1.632 9.268 114 HB3 TYR 16 HB3 TYR 16 -1.846 -1.042 8.473 115 HD1 TYR 16 HD1 TYR 16 0.887 0.004 10.767 116 HD2 TYR 16 HD2 TYR 16 -2.072 1.232 7.968 117 HE1 TYR 16 HE1 TYR 16 1.827 2.277 10.780 118 HE2 TYR 16 HE2 TYR 16 -1.142 3.506 7.977 119 HH TYR 16 HH TYR 16 0.207 4.938 9.479 120 H PHE 17 H PHE 17 -4.247 -1.682 9.406 121 HA PHE 17 HA PHE 17 -5.538 0.768 9.589 122 HB2 PHE 17 HB2 PHE 17 -6.327 -0.971 8.108 123 HB3 PHE 17 HB3 PHE 17 -6.670 -2.036 9.464 124 HD1 PHE 17 HD1 PHE 17 -7.773 0.932 7.617 125 HD2 PHE 17 HD2 PHE 17 -8.679 -1.793 10.758 126 HE1 PHE 17 HE1 PHE 17 -10.078 1.787 7.691 127 HE2 PHE 17 HE2 PHE 17 -10.985 -0.943 10.836 128 HZ PHE 17 HZ PHE 17 -11.687 0.850 9.302 129 H GLU 18 H GLU 18 -5.831 -2.035 11.731 130 HA GLU 18 HA GLU 18 -7.754 -1.003 13.463 131 HB2 GLU 18 HB2 GLU 18 -5.584 -3.053 13.862 132 HB3 GLU 18 HB3 GLU 18 -6.805 -2.709 15.078 133 HG2 GLU 18 HG2 GLU 18 -7.541 -3.480 12.282 134 HG3 GLU 18 HG3 GLU 18 -7.192 -4.685 13.522 135 H ARG 19 H ARG 19 -4.417 -0.228 13.210 136 HA ARG 19 HA ARG 19 -4.357 0.781 15.961 137 HB2 ARG 19 HB2 ARG 19 -2.071 0.281 14.049 138 HB3 ARG 19 HB3 ARG 19 -1.926 0.740 15.745 139 HG2 ARG 19 HG2 ARG 19 -2.941 -1.319 16.447 140 HG3 ARG 19 HG3 ARG 19 -3.279 -1.766 14.777 141 HD2 ARG 19 HD2 ARG 19 -0.811 -1.764 14.370 142 HD3 ARG 19 HD3 ARG 19 -0.584 -1.533 16.105 143 HE ARG 19 HE ARG 19 -2.156 -3.822 15.146 144 HH11 ARG 19 HH11 ARG 19 0.748 -2.599 16.681 145 HH12 ARG 19 HH12 ARG 19 1.181 -4.129 17.380 146 HH21 ARG 19 HH21 ARG 19 -1.594 -5.829 16.035 147 HH22 ARG 19 HH22 ARG 19 -0.146 -5.990 16.978 148 H MET 20 H MET 20 -3.317 1.819 12.689 149 HA MET 20 HA MET 20 -2.796 4.482 13.707 150 HB2 MET 20 HB2 MET 20 -1.302 3.426 12.055 151 HB3 MET 20 HB3 MET 20 -2.613 3.405 10.887 152 HG2 MET 20 HG2 MET 20 -0.971 5.220 10.545 153 HG3 MET 20 HG3 MET 20 -2.623 5.787 10.743 154 HE1 MET 20 HE1 MET 20 0.928 5.464 12.353 155 HE2 MET 20 HE2 MET 20 -0.064 4.558 13.495 156 HE3 MET 20 HE3 MET 20 0.660 6.092 13.979 157 H ILE 21 H ILE 21 -5.315 2.875 11.941 158 HA ILE 21 HA ILE 21 -6.585 5.342 11.082 159 HB ILE 21 HB ILE 21 -7.337 2.432 10.807 160 HG12 ILE 21 HG12 ILE 21 -7.214 3.052 8.357 161 HG13 ILE 21 HG13 ILE 21 -6.564 4.608 8.858 162 HG21 ILE 21 HG21 ILE 21 -9.291 3.102 9.514 163 HG22 ILE 21 HG22 ILE 21 -8.974 4.793 9.901 164 HG23 ILE 21 HG23 ILE 21 -9.405 3.659 11.182 165 HD11 ILE 21 HD11 ILE 21 -4.663 3.469 9.890 166 HD12 ILE 21 HD12 ILE 21 -4.799 3.112 8.168 167 HD13 ILE 21 HD13 ILE 21 -5.312 1.918 9.361 168 H ALA 22 H ALA 22 -6.621 3.254 13.800 169 HA ALA 22 HA ALA 22 -9.219 3.885 14.771 170 HB1 ALA 22 HB1 ALA 22 -8.450 2.924 16.883 171 HB2 ALA 22 HB2 ALA 22 -6.795 2.904 16.274 172 HB3 ALA 22 HB3 ALA 22 -8.027 1.898 15.514 173 H GLY 23 H GLY 23 -6.244 5.592 14.725 174 HA2 GLY 23 HA2 GLY 23 -6.711 7.237 17.025 175 HA3 GLY 23 HA3 GLY 23 -5.516 7.518 15.767 176 H ARG 24 H ARG 24 -6.156 8.605 13.849 177 HA ARG 24 HA ARG 24 -8.786 9.839 13.866 178 HB2 ARG 24 HB2 ARG 24 -7.756 12.050 13.258 179 HB3 ARG 24 HB3 ARG 24 -7.534 11.550 14.928 180 HG2 ARG 24 HG2 ARG 24 -5.410 12.088 14.601 181 HG3 ARG 24 HG3 ARG 24 -5.291 10.560 13.741 182 HD2 ARG 24 HD2 ARG 24 -5.813 11.723 11.643 183 HD3 ARG 24 HD3 ARG 24 -5.867 13.253 12.517 184 HE ARG 24 HE ARG 24 -3.394 11.887 12.917 185 HH11 ARG 24 HH11 ARG 24 -5.164 13.881 10.645 186 HH12 ARG 24 HH12 ARG 24 -3.730 14.504 9.881 187 HH21 ARG 24 HH21 ARG 24 -1.506 12.733 11.936 188 HH22 ARG 24 HH22 ARG 24 -1.653 13.887 10.639 189 H TRP 25 H TRP 25 -9.598 9.201 12.108 190 HA TRP 25 HA TRP 25 -7.923 8.907 9.720 191 HB2 TRP 25 HB2 TRP 25 -9.201 6.946 9.127 192 HB3 TRP 25 HB3 TRP 25 -8.587 6.767 10.763 193 HD1 TRP 25 HD1 TRP 25 -11.638 6.416 8.793 194 HE1 TRP 25 HE1 TRP 25 -13.705 6.098 10.304 195 HE3 TRP 25 HE3 TRP 25 -9.607 7.810 13.267 196 HZ2 TRP 25 HZ2 TRP 25 -14.381 6.415 13.015 197 HZ3 TRP 25 HZ3 TRP 25 -11.034 7.789 15.265 198 HH2 TRP 25 HH2 TRP 25 -13.370 7.109 15.141 199 H LYS 26 H LYS 26 -11.058 9.896 10.963 200 HA LYS 26 HA LYS 26 -12.420 11.559 10.317 201 HB2 LYS 26 HB2 LYS 26 -10.192 12.625 9.750 202 HB3 LYS 26 HB3 LYS 26 -10.514 12.183 8.081 203 HG2 LYS 26 HG2 LYS 26 -11.165 14.441 8.351 204 HG3 LYS 26 HG3 LYS 26 -12.643 13.486 8.242 205 HD2 LYS 26 HD2 LYS 26 -11.430 14.213 10.891 206 HD3 LYS 26 HD3 LYS 26 -12.510 15.305 10.042 207 HE2 LYS 26 HE2 LYS 26 -14.233 13.535 10.021 208 HE3 LYS 26 HE3 LYS 26 -13.146 12.511 10.960 209 HZ1 LYS 26 HZ1 LYS 26 -14.727 13.602 12.397 210 HZ2 LYS 26 HZ2 LYS 26 -14.265 15.128 11.815 211 HZ3 LYS 26 HZ3 LYS 26 -13.168 14.195 12.716 212 H HIS 27 H HIS 27 -11.555 9.156 8.002 213 HA HIS 27 HA HIS 27 -14.132 9.378 6.761 214 HB2 HIS 27 HB2 HIS 27 -13.050 9.403 4.416 215 HB3 HIS 27 HB3 HIS 27 -13.208 10.922 5.283 216 HD1 HIS 27 HD1 HIS 27 -11.191 12.329 5.168 217 HD2 HIS 27 HD2 HIS 27 -10.256 8.289 4.838 218 HE1 HIS 27 HE1 HIS 27 -8.707 12.232 4.782 219 HE2 HIS 27 HE2 HIS 27 -8.213 9.799 4.350 220 HA PRO 28 HA PRO 28 -12.695 5.073 7.489 221 HB2 PRO 28 HB2 PRO 28 -15.344 4.212 7.520 222 HB3 PRO 28 HB3 PRO 28 -14.392 4.657 8.937 223 HG2 PRO 28 HG2 PRO 28 -16.363 6.287 7.397 224 HG3 PRO 28 HG3 PRO 28 -16.096 6.214 9.147 225 HD2 PRO 28 HD2 PRO 28 -15.203 8.259 7.699 226 HD3 PRO 28 HD3 PRO 28 -14.234 7.592 9.033 227 H ASN 29 H ASN 29 -15.275 6.183 5.328 228 HA ASN 29 HA ASN 29 -15.204 3.919 3.628 229 HB2 ASN 29 HB2 ASN 29 -16.545 5.310 2.074 230 HB3 ASN 29 HB3 ASN 29 -17.185 5.305 3.711 231 HD21 ASN 29 HD21 ASN 29 -17.541 7.206 1.510 232 HD22 ASN 29 HD22 ASN 29 -17.066 8.751 2.150 233 H ILE 30 H ILE 30 -13.630 7.073 3.519 234 HA ILE 30 HA ILE 30 -12.535 6.675 0.907 235 HB ILE 30 HB ILE 30 -11.723 8.670 3.024 236 HG12 ILE 30 HG12 ILE 30 -14.074 8.915 2.406 237 HG13 ILE 30 HG13 ILE 30 -13.132 10.251 1.755 238 HG21 ILE 30 HG21 ILE 30 -11.161 8.604 0.061 239 HG22 ILE 30 HG22 ILE 30 -9.986 8.379 1.356 240 HG23 ILE 30 HG23 ILE 30 -10.775 9.942 1.143 241 HD11 ILE 30 HD11 ILE 30 -14.109 7.850 0.224 242 HD12 ILE 30 HD12 ILE 30 -13.127 9.157 -0.440 243 HD13 ILE 30 HD13 ILE 30 -14.759 9.488 0.142 244 H VAL 31 H VAL 31 -11.326 6.243 4.211 245 HA VAL 31 HA VAL 31 -8.644 5.757 3.404 246 HB VAL 31 HB VAL 31 -9.220 6.450 5.712 247 HG11 VAL 31 HG11 VAL 31 -11.197 5.079 6.078 248 HG12 VAL 31 HG12 VAL 31 -9.996 4.804 7.337 249 HG13 VAL 31 HG13 VAL 31 -10.205 3.621 6.046 250 HG21 VAL 31 HG21 VAL 31 -7.050 5.481 5.227 251 HG22 VAL 31 HG22 VAL 31 -7.694 3.860 5.494 252 HG23 VAL 31 HG23 VAL 31 -7.593 5.000 6.836 253 H ARG 32 H ARG 32 -11.397 3.595 4.111 254 HA ARG 32 HA ARG 32 -9.961 1.203 3.619 255 HB2 ARG 32 HB2 ARG 32 -12.841 1.928 3.813 256 HB3 ARG 32 HB3 ARG 32 -12.437 0.421 3.004 257 HG2 ARG 32 HG2 ARG 32 -11.542 1.144 5.785 258 HG3 ARG 32 HG3 ARG 32 -12.961 0.166 5.408 259 HD2 ARG 32 HD2 ARG 32 -11.455 -1.413 4.190 260 HD3 ARG 32 HD3 ARG 32 -10.080 -0.484 4.787 261 HE ARG 32 HE ARG 32 -11.763 -1.265 6.931 262 HH11 ARG 32 HH11 ARG 32 -9.427 -2.649 4.671 263 HH12 ARG 32 HH12 ARG 32 -8.921 -3.884 5.794 264 HH21 ARG 32 HH21 ARG 32 -11.074 -2.904 8.360 265 HH22 ARG 32 HH22 ARG 32 -9.842 -4.022 7.860 266 H SER 33 H SER 33 -11.601 3.493 1.543 267 HA SER 33 HA SER 33 -11.721 2.042 -0.822 268 HB2 SER 33 HB2 SER 33 -12.717 4.268 -0.591 269 HB3 SER 33 HB3 SER 33 -11.115 4.986 -0.442 270 HG SER 33 HG SER 33 -12.081 3.574 -2.712 271 H ARG 34 H ARG 34 -9.037 3.879 0.582 272 HA ARG 34 HA ARG 34 -7.296 3.267 -1.626 273 HB2 ARG 34 HB2 ARG 34 -7.070 4.824 0.889 274 HB3 ARG 34 HB3 ARG 34 -5.577 4.173 0.228 275 HG2 ARG 34 HG2 ARG 34 -6.042 6.479 -0.508 276 HG3 ARG 34 HG3 ARG 34 -5.923 5.338 -1.848 277 HD2 ARG 34 HD2 ARG 34 -8.381 5.200 -1.911 278 HD3 ARG 34 HD3 ARG 34 -8.463 6.404 -0.626 279 HE ARG 34 HE ARG 34 -6.998 7.672 -2.497 280 HH11 ARG 34 HH11 ARG 34 -10.010 5.885 -2.726 281 HH12 ARG 34 HH12 ARG 34 -10.653 6.880 -3.993 282 HH21 ARG 34 HH21 ARG 34 -7.857 8.999 -4.176 283 HH22 ARG 34 HH22 ARG 34 -9.435 8.631 -4.834 284 H ILE 35 H ILE 35 -7.818 1.995 1.622 285 HA ILE 35 HA ILE 35 -5.503 0.361 1.614 286 HB ILE 35 HB ILE 35 -8.049 0.062 3.215 287 HG12 ILE 35 HG12 ILE 35 -5.353 1.254 3.912 288 HG13 ILE 35 HG13 ILE 35 -6.828 2.167 3.609 289 HG21 ILE 35 HG21 ILE 35 -5.361 -1.255 3.603 290 HG22 ILE 35 HG22 ILE 35 -6.841 -2.056 3.075 291 HG23 ILE 35 HG23 ILE 35 -6.737 -1.377 4.701 292 HD11 ILE 35 HD11 ILE 35 -6.346 1.977 5.988 293 HD12 ILE 35 HD12 ILE 35 -6.404 0.219 5.864 294 HD13 ILE 35 HD13 ILE 35 -7.858 1.172 5.570 295 H GLU 36 H GLU 36 -8.874 -0.261 0.669 296 HA GLU 36 HA GLU 36 -8.303 -3.048 0.184 297 HB2 GLU 36 HB2 GLU 36 -10.786 -1.450 -0.449 298 HB3 GLU 36 HB3 GLU 36 -10.645 -3.200 -0.519 299 HG2 GLU 36 HG2 GLU 36 -10.499 -1.450 1.922 300 HG3 GLU 36 HG3 GLU 36 -11.752 -2.618 1.506 301 H LYS 37 H LYS 37 -8.616 -0.135 -1.762 302 HA LYS 37 HA LYS 37 -8.554 -1.744 -4.194 303 HB2 LYS 37 HB2 LYS 37 -10.202 -0.163 -4.446 304 HB3 LYS 37 HB3 LYS 37 -9.311 1.069 -3.571 305 HG2 LYS 37 HG2 LYS 37 -8.135 0.206 -6.131 306 HG3 LYS 37 HG3 LYS 37 -9.662 1.090 -6.224 307 HD2 LYS 37 HD2 LYS 37 -8.765 2.958 -5.107 308 HD3 LYS 37 HD3 LYS 37 -7.350 2.055 -4.568 309 HE2 LYS 37 HE2 LYS 37 -6.555 1.907 -6.854 310 HE3 LYS 37 HE3 LYS 37 -7.995 2.745 -7.424 311 HZ1 LYS 37 HZ1 LYS 37 -6.044 4.204 -7.220 312 HZ2 LYS 37 HZ2 LYS 37 -5.987 3.898 -5.555 313 HZ3 LYS 37 HZ3 LYS 37 -7.321 4.706 -6.230 314 H ASP 38 H ASP 38 -6.569 0.679 -2.523 315 HA ASP 38 HA ASP 38 -4.591 0.571 -4.656 316 HB2 ASP 38 HB2 ASP 38 -4.648 2.108 -2.053 317 HB3 ASP 38 HB3 ASP 38 -3.294 2.149 -3.172 318 H ILE 39 H ILE 39 -4.764 -0.255 -1.196 319 HA ILE 39 HA ILE 39 -2.063 -1.175 -1.142 320 HB ILE 39 HB ILE 39 -4.227 -1.649 0.910 321 HG12 ILE 39 HG12 ILE 39 -3.892 0.740 0.508 322 HG13 ILE 39 HG13 ILE 39 -3.247 0.287 2.082 323 HG21 ILE 39 HG21 ILE 39 -1.222 -1.814 1.130 324 HG22 ILE 39 HG22 ILE 39 -2.349 -3.171 1.159 325 HG23 ILE 39 HG23 ILE 39 -2.362 -1.986 2.465 326 HD11 ILE 39 HD11 ILE 39 -0.993 0.294 1.172 327 HD12 ILE 39 HD12 ILE 39 -1.788 1.847 0.909 328 HD13 ILE 39 HD13 ILE 39 -1.628 0.701 -0.422 329 H LYS 40 H LYS 40 -5.214 -2.883 -1.110 330 HA LYS 40 HA LYS 40 -3.701 -5.309 -1.834 331 HB2 LYS 40 HB2 LYS 40 -6.304 -5.110 -0.319 332 HB3 LYS 40 HB3 LYS 40 -5.659 -6.615 -0.948 333 HG2 LYS 40 HG2 LYS 40 -4.940 -6.734 1.207 334 HG3 LYS 40 HG3 LYS 40 -3.554 -5.929 0.475 335 HD2 LYS 40 HD2 LYS 40 -4.191 -4.852 2.569 336 HD3 LYS 40 HD3 LYS 40 -4.426 -3.764 1.201 337 HE2 LYS 40 HE2 LYS 40 -6.309 -3.603 2.708 338 HE3 LYS 40 HE3 LYS 40 -6.821 -4.330 1.189 339 HZ1 LYS 40 HZ1 LYS 40 -7.808 -5.539 2.952 340 HZ2 LYS 40 HZ2 LYS 40 -6.342 -5.708 3.778 341 HZ3 LYS 40 HZ3 LYS 40 -6.592 -6.523 2.309 342 HA PRO 41 HA PRO 41 -6.593 -4.392 -5.377 343 HB2 PRO 41 HB2 PRO 41 -4.748 -4.285 -7.351 344 HB3 PRO 41 HB3 PRO 41 -5.183 -2.871 -6.388 345 HG2 PRO 41 HG2 PRO 41 -2.805 -4.657 -6.167 346 HG3 PRO 41 HG3 PRO 41 -2.909 -2.897 -5.990 347 HD2 PRO 41 HD2 PRO 41 -2.796 -4.651 -3.885 348 HD3 PRO 41 HD3 PRO 41 -3.518 -3.034 -3.794 349 H ALA 42 H ALA 42 -3.574 -6.231 -5.810 350 HA ALA 42 HA ALA 42 -5.147 -8.668 -6.237 351 HB1 ALA 42 HB1 ALA 42 -4.545 -7.781 -8.447 352 HB2 ALA 42 HB2 ALA 42 -3.745 -9.318 -8.118 353 HB3 ALA 42 HB3 ALA 42 -2.843 -7.806 -7.987 354 H ILE 43 H ILE 43 -3.051 -7.178 -4.380 355 HA ILE 43 HA ILE 43 -1.423 -9.573 -3.870 356 HB ILE 43 HB ILE 43 0.148 -7.888 -2.703 357 HG12 ILE 43 HG12 ILE 43 -1.118 -5.971 -4.665 358 HG13 ILE 43 HG13 ILE 43 -1.551 -5.990 -2.959 359 HG21 ILE 43 HG21 ILE 43 1.328 -7.460 -4.822 360 HG22 ILE 43 HG22 ILE 43 -0.114 -7.965 -5.706 361 HG23 ILE 43 HG23 ILE 43 0.753 -9.121 -4.694 362 HD11 ILE 43 HD11 ILE 43 0.790 -5.501 -2.393 363 HD12 ILE 43 HD12 ILE 43 0.071 -4.257 -3.416 364 HD13 ILE 43 HD13 ILE 43 1.176 -5.442 -4.112 365 H GLY 44 H GLY 44 -2.954 -10.462 -2.495 366 HA2 GLY 44 HA2 GLY 44 -3.144 -9.098 0.118 367 HA3 GLY 44 HA3 GLY 44 -4.498 -9.987 -0.571 368 H SER 45 H SER 45 -3.530 -12.275 -1.436 369 HA SER 45 HA SER 45 -2.648 -13.642 0.948 370 HB2 SER 45 HB2 SER 45 -2.782 -15.630 -0.763 371 HB3 SER 45 HB3 SER 45 -4.265 -14.870 -0.180 372 HG SER 45 HG SER 45 -2.945 -14.508 -2.665 373 H LEU 46 H LEU 46 -0.983 -11.821 -1.000 374 HA LEU 46 HA LEU 46 1.162 -13.504 -1.845 375 HB2 LEU 46 HB2 LEU 46 0.607 -11.350 -2.937 376 HB3 LEU 46 HB3 LEU 46 1.091 -10.505 -1.480 377 HG LEU 46 HG LEU 46 3.387 -11.460 -1.783 378 HD11 LEU 46 HD11 LEU 46 2.277 -12.272 -4.465 379 HD12 LEU 46 HD12 LEU 46 2.816 -13.360 -3.183 380 HD13 LEU 46 HD13 LEU 46 3.978 -12.315 -4.002 381 HD21 LEU 46 HD21 LEU 46 2.867 -9.178 -2.434 382 HD22 LEU 46 HD22 LEU 46 2.324 -9.740 -4.014 383 HD23 LEU 46 HD23 LEU 46 4.019 -9.903 -3.555 384 H LYS 47 H LYS 47 3.002 -14.032 -0.784 385 HA LYS 47 HA LYS 47 3.140 -13.839 2.014 386 HB2 LYS 47 HB2 LYS 47 4.317 -15.489 0.410 387 HB3 LYS 47 HB3 LYS 47 5.544 -14.242 0.245 388 HG2 LYS 47 HG2 LYS 47 6.350 -15.691 1.893 389 HG3 LYS 47 HG3 LYS 47 5.724 -14.296 2.777 390 HD2 LYS 47 HD2 LYS 47 4.985 -16.272 3.902 391 HD3 LYS 47 HD3 LYS 47 3.591 -15.553 3.099 392 HE2 LYS 47 HE2 LYS 47 3.570 -17.947 2.769 393 HE3 LYS 47 HE3 LYS 47 3.885 -17.144 1.233 394 HZ1 LYS 47 HZ1 LYS 47 5.890 -18.454 2.988 395 HZ2 LYS 47 HZ2 LYS 47 6.272 -17.588 1.583 396 HZ3 LYS 47 HZ3 LYS 47 5.351 -19.011 1.479 397 H VAL 48 H VAL 48 4.399 -12.533 3.366 398 HA VAL 48 HA VAL 48 4.746 -9.846 2.576 399 HB VAL 48 HB VAL 48 6.126 -11.100 4.945 400 HG11 VAL 48 HG11 VAL 48 6.687 -8.789 4.478 401 HG12 VAL 48 HG12 VAL 48 5.733 -8.907 5.956 402 HG13 VAL 48 HG13 VAL 48 4.976 -8.359 4.460 403 HG21 VAL 48 HG21 VAL 48 3.817 -11.872 4.961 404 HG22 VAL 48 HG22 VAL 48 3.249 -10.213 4.772 405 HG23 VAL 48 HG23 VAL 48 4.093 -10.695 6.246 406 H GLU 49 H GLU 49 6.841 -12.606 2.520 407 HA GLU 49 HA GLU 49 9.282 -11.142 2.179 408 HB2 GLU 49 HB2 GLU 49 8.693 -14.027 1.500 409 HB3 GLU 49 HB3 GLU 49 10.283 -13.302 1.702 410 HG2 GLU 49 HG2 GLU 49 9.731 -12.857 4.069 411 HG3 GLU 49 HG3 GLU 49 8.203 -13.710 3.836 412 H ASP 50 H ASP 50 6.663 -11.641 0.181 413 HA ASP 50 HA ASP 50 8.305 -11.779 -2.250 414 HB2 ASP 50 HB2 ASP 50 5.433 -12.490 -1.723 415 HB3 ASP 50 HB3 ASP 50 6.030 -12.232 -3.358 416 H VAL 51 H VAL 51 7.013 -9.426 -0.395 417 HA VAL 51 HA VAL 51 5.799 -7.902 -2.522 418 HB VAL 51 HB VAL 51 4.920 -7.620 -0.265 419 HG11 VAL 51 HG11 VAL 51 6.185 -6.370 1.446 420 HG12 VAL 51 HG12 VAL 51 7.618 -6.479 0.425 421 HG13 VAL 51 HG13 VAL 51 6.886 -7.944 1.078 422 HG21 VAL 51 HG21 VAL 51 6.209 -5.112 -1.327 423 HG22 VAL 51 HG22 VAL 51 4.858 -5.174 -0.193 424 HG23 VAL 51 HG23 VAL 51 4.662 -5.789 -1.834 425 H LYS 52 H LYS 52 7.411 -7.891 -3.998 426 HA LYS 52 HA LYS 52 9.988 -6.727 -3.406 427 HB2 LYS 52 HB2 LYS 52 8.832 -7.747 -6.009 428 HB3 LYS 52 HB3 LYS 52 10.523 -7.371 -5.703 429 HG2 LYS 52 HG2 LYS 52 10.714 -9.171 -4.147 430 HG3 LYS 52 HG3 LYS 52 8.979 -9.472 -4.206 431 HD2 LYS 52 HD2 LYS 52 9.162 -10.127 -6.540 432 HD3 LYS 52 HD3 LYS 52 10.890 -9.772 -6.516 433 HE2 LYS 52 HE2 LYS 52 11.246 -11.513 -4.859 434 HE3 LYS 52 HE3 LYS 52 9.514 -11.844 -4.811 435 HZ1 LYS 52 HZ1 LYS 52 11.233 -12.143 -7.215 436 HZ2 LYS 52 HZ2 LYS 52 9.589 -12.548 -7.098 437 HZ3 LYS 52 HZ3 LYS 52 10.744 -13.417 -6.212 438 HA PRO 53 HA PRO 53 9.384 -2.521 -4.493 439 HB2 PRO 53 HB2 PRO 53 11.626 -2.890 -6.430 440 HB3 PRO 53 HB3 PRO 53 11.407 -1.659 -5.179 441 HG2 PRO 53 HG2 PRO 53 13.085 -3.675 -4.787 442 HG3 PRO 53 HG3 PRO 53 12.048 -3.096 -3.469 443 HD2 PRO 53 HD2 PRO 53 11.791 -5.550 -5.152 444 HD3 PRO 53 HD3 PRO 53 11.412 -5.313 -3.436 445 H ARG 54 H ARG 54 9.831 -4.737 -7.219 446 HA ARG 54 HA ARG 54 8.906 -3.107 -9.282 447 HB2 ARG 54 HB2 ARG 54 8.720 -6.087 -8.884 448 HB3 ARG 54 HB3 ARG 54 8.208 -5.290 -10.363 449 HG2 ARG 54 HG2 ARG 54 10.452 -4.493 -10.757 450 HG3 ARG 54 HG3 ARG 54 10.987 -5.170 -9.215 451 HD2 ARG 54 HD2 ARG 54 10.507 -7.401 -9.980 452 HD3 ARG 54 HD3 ARG 54 9.816 -6.779 -11.473 453 HE ARG 54 HE ARG 54 12.479 -5.900 -11.238 454 HH11 ARG 54 HH11 ARG 54 10.642 -8.830 -11.785 455 HH12 ARG 54 HH12 ARG 54 11.874 -9.569 -12.771 456 HH21 ARG 54 HH21 ARG 54 14.118 -6.882 -12.507 457 HH22 ARG 54 HH22 ARG 54 13.854 -8.469 -13.171 458 H HIS 55 H HIS 55 7.126 -5.032 -6.938 459 HA HIS 55 HA HIS 55 4.599 -4.996 -8.165 460 HB2 HIS 55 HB2 HIS 55 5.188 -5.048 -5.204 461 HB3 HIS 55 HB3 HIS 55 3.670 -5.503 -5.969 462 HD1 HIS 55 HD1 HIS 55 5.811 -6.970 -8.253 463 HD2 HIS 55 HD2 HIS 55 4.977 -7.789 -4.258 464 HE1 HIS 55 HE1 HIS 55 6.578 -9.334 -7.858 465 HE2 HIS 55 HE2 HIS 55 5.868 -9.874 -5.513 466 H ILE 56 H ILE 56 6.190 -2.681 -6.059 467 HA ILE 56 HA ILE 56 4.048 -0.984 -5.508 468 HB ILE 56 HB ILE 56 6.957 -0.274 -5.930 469 HG12 ILE 56 HG12 ILE 56 6.602 -1.894 -4.137 470 HG13 ILE 56 HG13 ILE 56 7.070 -0.333 -3.470 471 HG21 ILE 56 HG21 ILE 56 5.555 1.708 -6.148 472 HG22 ILE 56 HG22 ILE 56 6.497 1.760 -4.659 473 HG23 ILE 56 HG23 ILE 56 4.785 1.344 -4.603 474 HD11 ILE 56 HD11 ILE 56 5.313 -1.373 -2.155 475 HD12 ILE 56 HD12 ILE 56 4.270 -1.434 -3.577 476 HD13 ILE 56 HD13 ILE 56 4.746 0.122 -2.897 477 H ASP 57 H ASP 57 6.223 -1.070 -8.299 478 HA ASP 57 HA ASP 57 5.064 1.183 -9.590 479 HB2 ASP 57 HB2 ASP 57 7.307 0.448 -10.175 480 HB3 ASP 57 HB3 ASP 57 6.690 -1.113 -10.709 481 H ASP 58 H ASP 58 4.555 -2.296 -9.765 482 HA ASP 58 HA ASP 58 2.735 -2.356 -11.893 483 HB2 ASP 58 HB2 ASP 58 3.239 -4.190 -9.570 484 HB3 ASP 58 HB3 ASP 58 1.912 -4.503 -10.683 485 H VAL 59 H VAL 59 2.150 -2.073 -8.393 486 HA VAL 59 HA VAL 59 -0.672 -2.114 -8.660 487 HB VAL 59 HB VAL 59 0.344 -2.698 -6.531 488 HG11 VAL 59 HG11 VAL 59 1.170 0.193 -6.337 489 HG12 VAL 59 HG12 VAL 59 2.248 -1.190 -6.531 490 HG13 VAL 59 HG13 VAL 59 1.304 -1.007 -5.052 491 HG21 VAL 59 HG21 VAL 59 -1.082 -1.355 -5.042 492 HG22 VAL 59 HG22 VAL 59 -1.931 -1.906 -6.484 493 HG23 VAL 59 HG23 VAL 59 -1.382 -0.236 -6.371 494 H LEU 60 H LEU 60 1.684 0.539 -8.447 495 HA LEU 60 HA LEU 60 -0.209 2.628 -8.366 496 HB2 LEU 60 HB2 LEU 60 2.600 2.615 -9.480 497 HB3 LEU 60 HB3 LEU 60 1.639 4.059 -9.223 498 HG LEU 60 HG LEU 60 2.581 2.164 -7.067 499 HD11 LEU 60 HD11 LEU 60 4.016 4.023 -6.390 500 HD12 LEU 60 HD12 LEU 60 3.459 4.960 -7.776 501 HD13 LEU 60 HD13 LEU 60 4.390 3.483 -8.026 502 HD21 LEU 60 HD21 LEU 60 1.083 4.775 -6.861 503 HD22 LEU 60 HD22 LEU 60 1.715 3.833 -5.510 504 HD23 LEU 60 HD23 LEU 60 0.427 3.174 -6.519 505 H LYS 61 H LYS 61 1.172 0.798 -11.020 506 HA LYS 61 HA LYS 61 0.136 2.420 -13.095 507 HB2 LYS 61 HB2 LYS 61 1.958 0.986 -13.599 508 HB3 LYS 61 HB3 LYS 61 1.134 -0.422 -12.950 509 HG2 LYS 61 HG2 LYS 61 -0.138 0.937 -15.249 510 HG3 LYS 61 HG3 LYS 61 1.363 0.057 -15.555 511 HD2 LYS 61 HD2 LYS 61 -1.071 -1.093 -14.188 512 HD3 LYS 61 HD3 LYS 61 -0.663 -1.323 -15.884 513 HE2 LYS 61 HE2 LYS 61 1.096 -2.133 -13.576 514 HE3 LYS 61 HE3 LYS 61 0.008 -3.222 -14.433 515 HZ1 LYS 61 HZ1 LYS 61 2.297 -1.760 -15.648 516 HZ2 LYS 61 HZ2 LYS 61 1.245 -2.806 -16.467 517 HZ3 LYS 61 HZ3 LYS 61 2.266 -3.409 -15.256 518 H ALA 62 H ALA 62 -1.113 -0.269 -11.229 519 HA ALA 62 HA ALA 62 -3.435 -0.673 -12.852 520 HB1 ALA 62 HB1 ALA 62 -4.177 -2.157 -11.068 521 HB2 ALA 62 HB2 ALA 62 -2.891 -1.559 -10.021 522 HB3 ALA 62 HB3 ALA 62 -2.491 -2.466 -11.478 523 H VAL 63 H VAL 63 -2.740 1.081 -9.852 524 HA VAL 63 HA VAL 63 -5.472 1.847 -9.462 525 HB VAL 63 HB VAL 63 -4.671 3.296 -7.684 526 HG11 VAL 63 HG11 VAL 63 -3.297 0.617 -7.710 527 HG12 VAL 63 HG12 VAL 63 -4.949 0.946 -7.188 528 HG13 VAL 63 HG13 VAL 63 -3.591 1.600 -6.274 529 HG21 VAL 63 HG21 VAL 63 -1.900 2.600 -8.641 530 HG22 VAL 63 HG22 VAL 63 -2.279 3.466 -7.152 531 HG23 VAL 63 HG23 VAL 63 -2.668 4.186 -8.714 532 H MET 64 H MET 64 -2.860 3.051 -11.321 533 HA MET 64 HA MET 64 -3.839 5.731 -11.606 534 HB2 MET 64 HB2 MET 64 -1.459 5.183 -11.885 535 HB3 MET 64 HB3 MET 64 -1.851 4.178 -13.274 536 HG2 MET 64 HG2 MET 64 -2.688 6.169 -14.446 537 HG3 MET 64 HG3 MET 64 -2.223 7.158 -13.063 538 HE1 MET 64 HE1 MET 64 0.512 5.608 -12.232 539 HE2 MET 64 HE2 MET 64 0.343 7.363 -12.220 540 HE3 MET 64 HE3 MET 64 1.698 6.612 -13.064 541 H LYS 65 H LYS 65 -3.924 2.792 -13.587 542 HA LYS 65 HA LYS 65 -4.998 3.978 -15.895 543 HB2 LYS 65 HB2 LYS 65 -5.419 1.729 -16.666 544 HB3 LYS 65 HB3 LYS 65 -3.865 1.799 -15.856 545 HG2 LYS 65 HG2 LYS 65 -4.976 0.886 -13.818 546 HG3 LYS 65 HG3 LYS 65 -6.426 0.648 -14.794 547 HD2 LYS 65 HD2 LYS 65 -3.716 -0.555 -15.343 548 HD3 LYS 65 HD3 LYS 65 -5.086 -1.398 -14.624 549 HE2 LYS 65 HE2 LYS 65 -6.376 -1.075 -16.657 550 HE3 LYS 65 HE3 LYS 65 -5.045 -0.165 -17.375 551 HZ1 LYS 65 HZ1 LYS 65 -4.953 -3.018 -16.552 552 HZ2 LYS 65 HZ2 LYS 65 -3.669 -2.143 -17.236 553 HZ3 LYS 65 HZ3 LYS 65 -5.061 -2.453 -18.149 554 H ARG 66 H ARG 66 -6.522 2.536 -13.104 555 HA ARG 66 HA ARG 66 -9.156 2.506 -14.178 556 HB2 ARG 66 HB2 ARG 66 -9.887 2.116 -11.857 557 HB3 ARG 66 HB3 ARG 66 -8.581 1.041 -12.336 558 HG2 ARG 66 HG2 ARG 66 -7.042 2.086 -10.971 559 HG3 ARG 66 HG3 ARG 66 -7.975 3.584 -10.898 560 HD2 ARG 66 HD2 ARG 66 -8.096 2.411 -8.782 561 HD3 ARG 66 HD3 ARG 66 -9.677 2.454 -9.558 562 HE ARG 66 HE ARG 66 -7.949 0.066 -9.680 563 HH11 ARG 66 HH11 ARG 66 -11.017 1.611 -9.059 564 HH12 ARG 66 HH12 ARG 66 -11.853 0.122 -8.722 565 HH21 ARG 66 HH21 ARG 66 -9.023 -1.902 -9.218 566 HH22 ARG 66 HH22 ARG 66 -10.712 -1.880 -8.813 567 H GLY 67 H GLY 67 -7.221 5.059 -13.143 568 HA2 GLY 67 HA2 GLY 67 -9.503 6.857 -13.165 569 HA3 GLY 67 HA3 GLY 67 -8.606 6.796 -11.655 570 H ALA 68 H ALA 68 -6.830 8.016 -11.454 571 HA ALA 68 HA ALA 68 -5.574 9.123 -13.854 572 HB1 ALA 68 HB1 ALA 68 -5.602 11.383 -12.904 573 HB2 ALA 68 HB2 ALA 68 -6.540 10.797 -11.530 574 HB3 ALA 68 HB3 ALA 68 -7.237 10.771 -13.149 575 HA PRO 69 HA PRO 69 -1.764 8.363 -11.738 576 HB2 PRO 69 HB2 PRO 69 -0.305 10.576 -12.472 577 HB3 PRO 69 HB3 PRO 69 -0.564 9.168 -13.508 578 HG2 PRO 69 HG2 PRO 69 -1.994 11.796 -13.485 579 HG3 PRO 69 HG3 PRO 69 -1.453 10.824 -14.868 580 HD2 PRO 69 HD2 PRO 69 -4.018 10.838 -14.081 581 HD3 PRO 69 HD3 PRO 69 -3.248 9.362 -14.700 582 H SER 70 H SER 70 -3.561 11.237 -11.181 583 HA SER 70 HA SER 70 -2.024 12.491 -9.205 584 HB2 SER 70 HB2 SER 70 -5.042 12.485 -9.319 585 HB3 SER 70 HB3 SER 70 -3.978 13.771 -8.745 586 HG SER 70 HG SER 70 -4.152 14.504 -10.706 587 H ILE 71 H ILE 71 -4.201 9.763 -9.086 588 HA ILE 71 HA ILE 71 -4.408 9.705 -6.223 589 HB ILE 71 HB ILE 71 -5.084 7.619 -8.305 590 HG12 ILE 71 HG12 ILE 71 -7.441 8.139 -7.427 591 HG13 ILE 71 HG13 ILE 71 -6.722 9.561 -6.681 592 HG21 ILE 71 HG21 ILE 71 -6.210 6.379 -6.512 593 HG22 ILE 71 HG22 ILE 71 -5.570 7.524 -5.331 594 HG23 ILE 71 HG23 ILE 71 -4.470 6.493 -6.246 595 HD11 ILE 71 HD11 ILE 71 -6.034 10.361 -8.881 596 HD12 ILE 71 HD12 ILE 71 -7.778 10.112 -8.790 597 HD13 ILE 71 HD13 ILE 71 -6.759 8.935 -9.623 598 H ALA 72 H ALA 72 -2.384 8.217 -8.661 599 HA ALA 72 HA ALA 72 -1.322 6.097 -7.199 600 HB1 ALA 72 HB1 ALA 72 -1.115 6.363 -9.644 601 HB2 ALA 72 HB2 ALA 72 0.426 6.003 -8.863 602 HB3 ALA 72 HB3 ALA 72 0.060 7.649 -9.382 603 H ASN 73 H ASN 73 0.043 9.359 -7.681 604 HA ASN 73 HA ASN 73 2.329 8.884 -6.089 605 HB2 ASN 73 HB2 ASN 73 2.683 11.311 -6.131 606 HB3 ASN 73 HB3 ASN 73 2.291 10.694 -7.730 607 HD21 ASN 73 HD21 ASN 73 1.239 12.663 -5.080 608 HD22 ASN 73 HD22 ASN 73 -0.104 13.388 -5.887 609 H ASP 74 H ASP 74 -0.917 9.727 -5.276 610 HA ASP 74 HA ASP 74 -0.322 10.801 -2.685 611 HB2 ASP 74 HB2 ASP 74 -2.387 11.369 -3.957 612 HB3 ASP 74 HB3 ASP 74 -2.948 9.715 -3.727 613 H THR 75 H THR 75 -1.233 7.664 -3.981 614 HA THR 75 HA THR 75 -1.689 6.256 -1.618 615 HB THR 75 HB THR 75 -0.390 5.156 -4.119 616 HG1 THR 75 HG1 THR 75 -2.922 4.679 -4.286 617 HG21 THR 75 HG21 THR 75 -0.420 3.603 -2.222 618 HG22 THR 75 HG22 THR 75 -1.534 3.079 -3.483 619 HG23 THR 75 HG23 THR 75 -2.154 3.862 -2.031 620 H LEU 76 H LEU 76 1.302 7.234 -3.132 621 HA LEU 76 HA LEU 76 3.176 5.560 -1.998 622 HB2 LEU 76 HB2 LEU 76 3.204 8.390 -2.888 623 HB3 LEU 76 HB3 LEU 76 4.562 7.833 -1.932 624 HG LEU 76 HG LEU 76 5.029 7.728 -4.310 625 HD11 LEU 76 HD11 LEU 76 4.768 5.010 -3.045 626 HD12 LEU 76 HD12 LEU 76 6.125 6.123 -2.862 627 HD13 LEU 76 HD13 LEU 76 5.783 5.400 -4.435 628 HD21 LEU 76 HD21 LEU 76 2.769 7.369 -5.143 629 HD22 LEU 76 HD22 LEU 76 2.772 5.747 -4.452 630 HD23 LEU 76 HD23 LEU 76 3.881 6.147 -5.762 631 H ARG 77 H ARG 77 1.809 8.523 -0.611 632 HA ARG 77 HA ARG 77 3.286 8.736 1.717 633 HB2 ARG 77 HB2 ARG 77 0.313 9.103 1.845 634 HB3 ARG 77 HB3 ARG 77 1.571 10.023 2.645 635 HG2 ARG 77 HG2 ARG 77 2.169 11.040 0.487 636 HG3 ARG 77 HG3 ARG 77 0.841 10.149 -0.270 637 HD2 ARG 77 HD2 ARG 77 -0.607 11.218 1.588 638 HD3 ARG 77 HD3 ARG 77 0.726 12.354 1.749 639 HE ARG 77 HE ARG 77 -0.983 12.014 -0.626 640 HH11 ARG 77 HH11 ARG 77 1.375 13.853 1.193 641 HH12 ARG 77 HH12 ARG 77 1.195 15.284 0.229 642 HH21 ARG 77 HH21 ARG 77 -1.239 13.882 -1.880 643 HH22 ARG 77 HH22 ARG 77 -0.303 15.308 -1.521 644 H TRP 78 H TRP 78 0.375 6.845 1.134 645 HA TRP 78 HA TRP 78 0.154 5.871 3.793 646 HB2 TRP 78 HB2 TRP 78 -1.676 6.136 2.000 647 HB3 TRP 78 HB3 TRP 78 -1.092 4.600 1.365 648 HD1 TRP 78 HD1 TRP 78 -2.092 2.486 2.424 649 HE1 TRP 78 HE1 TRP 78 -3.555 1.989 4.484 650 HE3 TRP 78 HE3 TRP 78 -2.097 7.131 4.546 651 HZ2 TRP 78 HZ2 TRP 78 -4.576 3.392 6.712 652 HZ3 TRP 78 HZ3 TRP 78 -3.341 7.474 6.640 653 HH2 TRP 78 HH2 TRP 78 -4.555 5.641 7.699 654 H LEU 79 H LEU 79 1.592 4.665 0.832 655 HA LEU 79 HA LEU 79 2.056 2.012 1.631 656 HB2 LEU 79 HB2 LEU 79 3.604 3.760 -0.281 657 HB3 LEU 79 HB3 LEU 79 3.839 2.033 -0.112 658 HG LEU 79 HG LEU 79 1.255 3.321 -0.996 659 HD11 LEU 79 HD11 LEU 79 1.845 2.518 -3.227 660 HD12 LEU 79 HD12 LEU 79 3.398 1.946 -2.617 661 HD13 LEU 79 HD13 LEU 79 3.038 3.673 -2.633 662 HD21 LEU 79 HD21 LEU 79 0.936 1.168 0.083 663 HD22 LEU 79 HD22 LEU 79 2.174 0.449 -0.946 664 HD23 LEU 79 HD23 LEU 79 0.666 1.028 -1.655 665 H LYS 80 H LYS 80 4.213 4.852 1.765 666 HA LYS 80 HA LYS 80 6.382 3.359 2.791 667 HB2 LYS 80 HB2 LYS 80 7.427 5.580 3.253 668 HB3 LYS 80 HB3 LYS 80 6.888 5.349 1.601 669 HG2 LYS 80 HG2 LYS 80 6.194 7.485 1.982 670 HG3 LYS 80 HG3 LYS 80 4.745 6.591 2.441 671 HD2 LYS 80 HD2 LYS 80 5.240 8.331 4.072 672 HD3 LYS 80 HD3 LYS 80 5.410 6.734 4.798 673 HE2 LYS 80 HE2 LYS 80 7.799 6.853 4.646 674 HE3 LYS 80 HE3 LYS 80 7.713 8.340 3.704 675 HZ1 LYS 80 HZ1 LYS 80 8.263 8.643 6.103 676 HZ2 LYS 80 HZ2 LYS 80 6.701 8.113 6.490 677 HZ3 LYS 80 HZ3 LYS 80 6.918 9.528 5.575 678 H ARG 81 H ARG 81 3.782 5.113 4.414 679 HA ARG 81 HA ARG 81 5.063 4.989 6.974 680 HB2 ARG 81 HB2 ARG 81 2.978 5.747 7.923 681 HB3 ARG 81 HB3 ARG 81 3.336 6.690 6.493 682 HG2 ARG 81 HG2 ARG 81 1.741 5.270 5.228 683 HG3 ARG 81 HG3 ARG 81 1.319 4.482 6.751 684 HD2 ARG 81 HD2 ARG 81 0.933 7.368 5.990 685 HD3 ARG 81 HD3 ARG 81 -0.302 6.177 6.394 686 HE ARG 81 HE ARG 81 1.385 6.425 8.599 687 HH11 ARG 81 HH11 ARG 81 -0.920 8.379 6.829 688 HH12 ARG 81 HH12 ARG 81 -1.301 9.395 8.187 689 HH21 ARG 81 HH21 ARG 81 0.898 7.759 10.388 690 HH22 ARG 81 HH22 ARG 81 -0.267 9.039 10.204 691 H MET 82 H MET 82 2.834 2.948 5.202 692 HA MET 82 HA MET 82 2.151 1.233 7.355 693 HB2 MET 82 HB2 MET 82 0.821 1.374 5.286 694 HB3 MET 82 HB3 MET 82 2.156 0.673 4.384 695 HG2 MET 82 HG2 MET 82 1.958 -1.382 5.711 696 HG3 MET 82 HG3 MET 82 0.592 -0.677 6.573 697 HE1 MET 82 HE1 MET 82 1.457 -0.329 2.735 698 HE2 MET 82 HE2 MET 82 0.566 -1.699 2.072 699 HE3 MET 82 HE3 MET 82 1.942 -1.975 3.140 700 H PHE 83 H PHE 83 4.542 0.980 4.735 701 HA PHE 83 HA PHE 83 5.588 -1.502 5.638 702 HB2 PHE 83 HB2 PHE 83 6.716 0.585 3.773 703 HB3 PHE 83 HB3 PHE 83 7.523 -0.941 4.117 704 HD1 PHE 83 HD1 PHE 83 5.758 -3.013 3.936 705 HD2 PHE 83 HD2 PHE 83 5.604 0.644 1.772 706 HE1 PHE 83 HE1 PHE 83 4.473 -4.126 2.159 707 HE2 PHE 83 HE2 PHE 83 4.309 -0.457 -0.007 708 HZ PHE 83 HZ PHE 83 3.741 -2.846 0.186 709 H ASN 84 H ASN 84 6.316 1.841 6.355 710 HA ASN 84 HA ASN 84 8.818 1.577 7.562 711 HB2 ASN 84 HB2 ASN 84 7.792 3.756 7.099 712 HB3 ASN 84 HB3 ASN 84 6.553 3.446 8.309 713 HD21 ASN 84 HD21 ASN 84 7.054 3.674 10.475 714 HD22 ASN 84 HD22 ASN 84 8.531 4.385 11.026 715 H TYR 85 H TYR 85 5.586 1.095 8.876 716 HA TYR 85 HA TYR 85 6.343 0.631 11.560 717 HB2 TYR 85 HB2 TYR 85 4.026 1.151 10.729 718 HB3 TYR 85 HB3 TYR 85 3.943 -0.479 10.076 719 HD1 TYR 85 HD1 TYR 85 4.064 1.513 13.164 720 HD2 TYR 85 HD2 TYR 85 3.504 -2.354 11.495 721 HE1 TYR 85 HE1 TYR 85 3.193 0.717 15.321 722 HE2 TYR 85 HE2 TYR 85 2.633 -3.164 13.645 723 HH TYR 85 HH TYR 85 2.829 -2.550 16.051 724 H ALA 86 H ALA 86 5.998 -1.469 8.755 725 HA ALA 86 HA ALA 86 6.375 -3.913 10.165 726 HB1 ALA 86 HB1 ALA 86 6.761 -3.319 7.231 727 HB2 ALA 86 HB2 ALA 86 5.250 -3.817 7.992 728 HB3 ALA 86 HB3 ALA 86 6.625 -4.921 7.959 729 H ILE 87 H ILE 87 8.525 -1.551 8.764 730 HA ILE 87 HA ILE 87 10.889 -3.130 8.769 731 HB ILE 87 HB ILE 87 10.608 -0.129 9.043 732 HG12 ILE 87 HG12 ILE 87 11.194 -1.804 6.592 733 HG13 ILE 87 HG13 ILE 87 9.629 -1.086 6.964 734 HG21 ILE 87 HG21 ILE 87 12.938 -0.035 8.297 735 HG22 ILE 87 HG22 ILE 87 13.011 -1.798 8.304 736 HG23 ILE 87 HG23 ILE 87 12.783 -0.918 9.817 737 HD11 ILE 87 HD11 ILE 87 10.632 1.139 6.840 738 HD12 ILE 87 HD12 ILE 87 10.836 0.239 5.336 739 HD13 ILE 87 HD13 ILE 87 12.191 0.409 6.452 740 H LYS 88 H LYS 88 9.471 -0.874 11.096 741 HA LYS 88 HA LYS 88 11.460 -0.990 13.068 742 HB2 LYS 88 HB2 LYS 88 8.495 -0.680 13.491 743 HB3 LYS 88 HB3 LYS 88 9.768 -0.156 14.580 744 HG2 LYS 88 HG2 LYS 88 10.449 1.561 13.098 745 HG3 LYS 88 HG3 LYS 88 9.423 0.928 11.801 746 HD2 LYS 88 HD2 LYS 88 8.471 2.899 12.995 747 HD3 LYS 88 HD3 LYS 88 7.439 1.472 13.021 748 HE2 LYS 88 HE2 LYS 88 7.422 2.366 15.215 749 HE3 LYS 88 HE3 LYS 88 8.416 0.922 15.254 750 HZ1 LYS 88 HZ1 LYS 88 9.531 2.602 16.478 751 HZ2 LYS 88 HZ2 LYS 88 9.367 3.734 15.232 752 HZ3 LYS 88 HZ3 LYS 88 10.388 2.396 15.030 753 H ARG 89 H ARG 89 8.402 -2.709 12.804 754 HA ARG 89 HA ARG 89 8.885 -4.527 14.925 755 HB2 ARG 89 HB2 ARG 89 6.642 -4.004 14.059 756 HB3 ARG 89 HB3 ARG 89 7.048 -4.780 12.536 757 HG2 ARG 89 HG2 ARG 89 7.185 -6.921 13.592 758 HG3 ARG 89 HG3 ARG 89 6.994 -6.192 15.187 759 HD2 ARG 89 HD2 ARG 89 4.752 -5.520 14.670 760 HD3 ARG 89 HD3 ARG 89 4.933 -6.040 12.994 761 HE ARG 89 HE ARG 89 5.243 -8.344 13.987 762 HH11 ARG 89 HH11 ARG 89 3.330 -5.860 15.566 763 HH12 ARG 89 HH12 ARG 89 2.282 -7.002 16.356 764 HH21 ARG 89 HH21 ARG 89 3.909 -9.829 15.067 765 HH22 ARG 89 HH22 ARG 89 2.630 -9.259 16.092 766 H HIS 90 H HIS 90 10.189 -4.303 11.843 767 HA HIS 90 HA HIS 90 11.701 -5.502 10.687 768 HB2 HIS 90 HB2 HIS 90 12.203 -6.117 13.406 769 HB3 HIS 90 HB3 HIS 90 12.393 -7.606 12.484 770 HD1 HIS 90 HD1 HIS 90 14.444 -5.113 13.711 771 HD2 HIS 90 HD2 HIS 90 13.970 -6.729 9.907 772 HE1 HIS 90 HE1 HIS 90 16.563 -4.573 12.471 773 HE2 HIS 90 HE2 HIS 90 16.191 -5.416 10.126 774 H ILE 91 H ILE 91 9.055 -6.165 10.267 775 HA ILE 91 HA ILE 91 8.924 -9.033 9.903 776 HB ILE 91 HB ILE 91 7.216 -6.896 8.604 777 HG12 ILE 91 HG12 ILE 91 6.712 -8.476 11.136 778 HG13 ILE 91 HG13 ILE 91 7.114 -6.763 11.069 779 HG21 ILE 91 HG21 ILE 91 5.600 -8.717 8.304 780 HG22 ILE 91 HG22 ILE 91 6.752 -9.850 9.013 781 HG23 ILE 91 HG23 ILE 91 7.124 -9.056 7.482 782 HD11 ILE 91 HD11 ILE 91 5.035 -6.318 9.880 783 HD12 ILE 91 HD12 ILE 91 4.736 -7.111 11.427 784 HD13 ILE 91 HD13 ILE 91 4.636 -8.035 9.928 785 H ILE 92 H ILE 92 9.363 -6.152 7.905 786 HA ILE 92 HA ILE 92 11.038 -7.705 6.085 787 HB ILE 92 HB ILE 92 10.052 -6.323 4.163 788 HG12 ILE 92 HG12 ILE 92 7.705 -6.175 6.064 789 HG13 ILE 92 HG13 ILE 92 8.732 -4.810 5.642 790 HG21 ILE 92 HG21 ILE 92 9.793 -8.723 4.341 791 HG22 ILE 92 HG22 ILE 92 8.305 -7.987 3.743 792 HG23 ILE 92 HG23 ILE 92 8.416 -8.512 5.422 793 HD11 ILE 92 HD11 ILE 92 8.035 -5.019 3.312 794 HD12 ILE 92 HD12 ILE 92 6.663 -4.770 4.390 795 HD13 ILE 92 HD13 ILE 92 6.999 -6.378 3.749 796 H GLU 93 H GLU 93 12.936 -6.760 5.992 797 HA GLU 93 HA GLU 93 13.168 -3.902 6.598 798 HB2 GLU 93 HB2 GLU 93 14.627 -5.691 7.688 799 HB3 GLU 93 HB3 GLU 93 15.411 -5.869 6.124 800 HG2 GLU 93 HG2 GLU 93 15.993 -3.457 6.211 801 HG3 GLU 93 HG3 GLU 93 15.344 -3.407 7.849 802 H TYR 94 H TYR 94 12.547 -5.669 3.986 803 HA TYR 94 HA TYR 94 14.383 -4.664 2.056 804 HB2 TYR 94 HB2 TYR 94 11.579 -5.616 1.476 805 HB3 TYR 94 HB3 TYR 94 12.985 -5.676 0.422 806 HD1 TYR 94 HD2 TYR 94 14.962 -7.179 1.257 807 HD2 TYR 94 HD1 TYR 94 10.958 -7.508 2.653 808 HE1 TYR 94 HE2 TYR 94 15.418 -9.478 2.006 809 HE2 TYR 94 HE1 TYR 94 11.399 -9.806 3.403 810 HH TYR 94 HH TYR 94 14.566 -11.110 3.579 811 H ASN 95 H ASN 95 11.054 -3.867 2.920 812 HA ASN 95 HA ASN 95 9.639 -2.240 2.337 813 HB2 ASN 95 HB2 ASN 95 11.001 -1.124 4.033 814 HB3 ASN 95 HB3 ASN 95 12.088 -0.539 2.774 815 HD21 ASN 95 HD21 ASN 95 11.576 1.575 3.520 816 HD22 ASN 95 HD22 ASN 95 10.119 2.331 3.017 817 HA PRO 96 HA PRO 96 10.614 -2.139 -2.136 818 HB2 PRO 96 HB2 PRO 96 7.920 -2.067 -2.755 819 HB3 PRO 96 HB3 PRO 96 8.886 -3.539 -2.607 820 HG2 PRO 96 HG2 PRO 96 7.070 -2.253 -0.605 821 HG3 PRO 96 HG3 PRO 96 7.274 -3.973 -0.994 822 HD2 PRO 96 HD2 PRO 96 8.388 -2.909 1.186 823 HD3 PRO 96 HD3 PRO 96 9.239 -4.141 0.233 824 H ALA 97 H ALA 97 8.700 -0.120 -0.035 825 HA ALA 97 HA ALA 97 8.232 1.945 -1.981 826 HB1 ALA 97 HB1 ALA 97 7.311 3.212 -0.114 827 HB2 ALA 97 HB2 ALA 97 7.915 2.001 1.018 828 HB3 ALA 97 HB3 ALA 97 6.663 1.572 -0.148 829 H ALA 98 H ALA 98 10.880 1.026 -0.099 830 HA ALA 98 HA ALA 98 12.029 3.634 0.277 831 HB1 ALA 98 HB1 ALA 98 12.626 1.777 1.755 832 HB2 ALA 98 HB2 ALA 98 14.049 2.427 0.939 833 HB3 ALA 98 HB3 ALA 98 13.332 0.913 0.388 834 H ALA 99 H ALA 99 11.644 1.541 -2.329 835 HA ALA 99 HA ALA 99 14.004 2.395 -3.771 836 HB1 ALA 99 HB1 ALA 99 11.652 0.769 -4.729 837 HB2 ALA 99 HB2 ALA 99 13.135 0.111 -4.039 838 HB3 ALA 99 HB3 ALA 99 13.188 0.986 -5.569 839 H PHE 100 H PHE 100 10.539 3.077 -3.730 840 HA PHE 100 HA PHE 100 11.051 5.370 -5.472 841 HB2 PHE 100 HB2 PHE 100 10.245 3.623 -6.966 842 HB3 PHE 100 HB3 PHE 100 8.850 3.348 -5.930 843 HD1 PHE 100 HD2 PHE 100 10.504 6.034 -7.910 844 HD2 PHE 100 HD1 PHE 100 6.865 4.433 -6.387 845 HE1 PHE 100 HE2 PHE 100 9.237 7.724 -9.172 846 HE2 PHE 100 HE1 PHE 100 5.592 6.122 -7.645 847 HZ PHE 100 HZ PHE 100 6.780 7.769 -9.040 848 H ASP 101 H ASP 101 10.309 7.125 -4.590 849 HA ASP 101 HA ASP 101 7.585 7.222 -3.604 850 HB2 ASP 101 HB2 ASP 101 8.045 8.209 -1.509 851 HB3 ASP 101 HB3 ASP 101 9.204 6.889 -1.603 852 HA PRO 102 HA PRO 102 7.486 11.021 -5.834 853 HB2 PRO 102 HB2 PRO 102 6.732 12.567 -3.414 854 HB3 PRO 102 HB3 PRO 102 5.894 12.423 -4.963 855 HG2 PRO 102 HG2 PRO 102 4.981 11.172 -2.791 856 HG3 PRO 102 HG3 PRO 102 4.902 10.410 -4.392 857 HD2 PRO 102 HD2 PRO 102 6.799 9.898 -2.135 858 HD3 PRO 102 HD3 PRO 102 6.056 8.750 -3.267 859 H GLY 103 H GLY 103 8.327 12.388 -2.673 860 HA2 GLY 103 HA2 GLY 103 10.224 13.451 -1.935 861 HA3 GLY 103 HA3 GLY 103 11.081 12.763 -3.303 862 H ASP 104 H ASP 104 10.496 13.793 -5.456 863 HA ASP 104 HA ASP 104 10.741 15.581 -6.818 864 HB2 ASP 104 HB2 ASP 104 8.454 16.145 -6.025 865 HB3 ASP 104 HB3 ASP 104 9.164 17.108 -4.733 866 H ALA 105 H ALA 105 12.882 15.883 -6.787 867 HA ALA 105 HA ALA 105 14.335 16.759 -4.532 868 HB1 ALA 105 HB1 ALA 105 16.262 16.777 -5.994 869 HB2 ALA 105 HB2 ALA 105 15.217 16.704 -7.412 870 HB3 ALA 105 HB3 ALA 105 15.281 15.342 -6.295 871 H GLY 106 H GLY 106 12.758 18.501 -7.080 872 HA2 GLY 106 HA2 GLY 106 14.302 20.899 -6.829 873 HA3 GLY 106 HA3 GLY 106 12.753 20.736 -7.641 874 H GLY 107 H GLY 107 11.084 19.924 -5.646 875 HA2 GLY 107 HA2 GLY 107 9.958 20.710 -3.761 876 HA3 GLY 107 HA3 GLY 107 11.292 21.820 -3.453 877 H LYS 108 H LYS 108 9.409 21.354 -6.377 878 HA LYS 108 HA LYS 108 8.856 24.238 -6.362 879 HB2 LYS 108 HB2 LYS 108 8.637 23.876 -8.889 880 HB3 LYS 108 HB3 LYS 108 10.248 23.809 -8.191 881 HG2 LYS 108 HG2 LYS 108 10.225 22.021 -9.656 882 HG3 LYS 108 HG3 LYS 108 9.878 21.266 -8.102 883 HD2 LYS 108 HD2 LYS 108 8.387 20.324 -9.695 884 HD3 LYS 108 HD3 LYS 108 7.443 21.414 -8.685 885 HE2 LYS 108 HE2 LYS 108 7.396 23.078 -10.374 886 HE3 LYS 108 HE3 LYS 108 8.609 22.231 -11.333 887 HZ1 LYS 108 HZ1 LYS 108 5.868 21.228 -10.770 888 HZ2 LYS 108 HZ2 LYS 108 7.035 20.466 -11.738 889 HZ3 LYS 108 HZ3 LYS 108 6.371 21.948 -12.221 890 H LEU 109 H LEU 109 6.933 24.779 -7.844 891 HA LEU 109 HA LEU 109 4.708 23.011 -7.917 892 HB2 LEU 109 HB2 LEU 109 4.950 23.485 -5.432 893 HB3 LEU 109 HB3 LEU 109 4.584 25.160 -5.792 894 HG LEU 109 HG LEU 109 2.372 24.444 -6.677 895 HD11 LEU 109 HD11 LEU 109 3.191 21.757 -5.581 896 HD12 LEU 109 HD12 LEU 109 2.935 22.159 -7.280 897 HD13 LEU 109 HD13 LEU 109 1.578 22.188 -6.153 898 HD21 LEU 109 HD21 LEU 109 2.991 23.644 -3.836 899 HD22 LEU 109 HD22 LEU 109 1.383 23.980 -4.483 900 HD23 LEU 109 HD23 LEU 109 2.588 25.265 -4.401 901 H GLU 110 H GLU 110 2.602 24.523 -8.185 902 HA GLU 110 HA GLU 110 3.140 26.309 -10.332 903 HB2 GLU 110 HB2 GLU 110 0.590 25.983 -8.737 904 HB3 GLU 110 HB3 GLU 110 0.739 26.773 -10.302 905 HG2 GLU 110 HG2 GLU 110 1.424 24.642 -11.302 906 HG3 GLU 110 HG3 GLU 110 1.243 23.861 -9.732 907 H HIS 111 H HIS 111 4.083 28.201 -10.035 908 HA HIS 111 HA HIS 111 3.231 29.937 -7.838 909 HB2 HIS 111 HB2 HIS 111 5.128 28.469 -7.069 910 HB3 HIS 111 HB3 HIS 111 6.130 29.202 -8.313 911 HD1 HIS 111 HD1 HIS 111 7.531 31.044 -7.499 912 HD2 HIS 111 HD2 HIS 111 4.089 30.594 -5.210 913 HE1 HIS 111 HE1 HIS 111 7.731 32.721 -5.632 914 HE2 HIS 111 HE2 HIS 111 5.733 32.288 -4.150 915 H HIS 112 H HIS 112 3.365 29.724 -10.935 916 HA HIS 112 HA HIS 112 4.927 32.134 -11.504 917 HB2 HIS 112 HB2 HIS 112 3.790 29.972 -13.257 918 HB3 HIS 112 HB3 HIS 112 4.355 31.496 -13.928 919 HD1 HIS 112 HD1 HIS 112 6.845 31.847 -14.130 920 HD2 HIS 112 HD2 HIS 112 5.834 28.316 -12.179 921 HE1 HIS 112 HE1 HIS 112 8.986 30.540 -13.937 922 HE2 HIS 112 HE2 HIS 112 8.315 28.330 -12.922 923 H HIS 113 H HIS 113 3.897 33.972 -11.318 924 HA HIS 113 HA HIS 113 1.554 34.407 -12.948 925 HB2 HIS 113 HB2 HIS 113 0.152 35.387 -11.243 926 HB3 HIS 113 HB3 HIS 113 0.577 33.761 -10.736 927 HD1 HIS 113 HD1 HIS 113 -0.022 36.785 -9.211 928 HD2 HIS 113 HD2 HIS 113 3.209 34.169 -9.021 929 HE1 HIS 113 HE1 HIS 113 1.172 37.333 -7.071 930 HE2 HIS 113 HE2 HIS 113 3.231 35.886 -7.093 931 H HIS 114 H HIS 114 1.998 36.181 -14.090 932 HA HIS 114 HA HIS 114 4.210 37.830 -13.385 933 HB2 HIS 114 HB2 HIS 114 3.690 39.166 -15.368 934 HB3 HIS 114 HB3 HIS 114 3.694 37.449 -15.733 935 HD1 HIS 114 HD1 HIS 114 1.787 40.442 -16.278 936 HD2 HIS 114 HD2 HIS 114 0.909 36.395 -15.874 937 HE1 HIS 114 HE1 HIS 114 -0.485 40.132 -17.304 938 HE2 HIS 114 HE2 HIS 114 -0.878 37.639 -17.266 939 H HIS 115 H HIS 115 0.816 38.041 -12.803 940 HA HIS 115 HA HIS 115 1.253 39.985 -10.786 941 HB2 HIS 115 HB2 HIS 115 1.210 41.490 -12.771 942 HB3 HIS 115 HB3 HIS 115 -0.411 40.915 -13.141 943 HD1 HIS 115 HD1 HIS 115 -2.200 42.406 -12.317 944 HD2 HIS 115 HD2 HIS 115 1.238 42.677 -9.982 945 HE1 HIS 115 HE1 HIS 115 -2.691 44.150 -10.575 946 HE2 HIS 115 HE2 HIS 115 -0.551 44.411 -9.271 947 H HIS 116 H HIS 116 -1.605 39.508 -12.840 948 HA HIS 116 HA HIS 116 -3.182 38.788 -10.520 949 HB2 HIS 116 HB2 HIS 116 -4.038 40.251 -12.365 950 HB3 HIS 116 HB3 HIS 116 -3.987 38.862 -13.440 951 HD1 HIS 116 HD1 HIS 116 -6.061 40.526 -10.894 952 HD2 HIS 116 HD2 HIS 116 -5.942 36.835 -12.821 953 HE1 HIS 116 HE1 HIS 116 -8.315 39.477 -10.504 954 HE2 HIS 116 HE2 HIS 116 -8.265 37.305 -11.780 Start of MODEL 18 1 H1 MET 1 H1 MET 1 5.373 -13.741 16.686 2 H2 MET 1 H2 MET 1 4.743 -14.989 17.641 3 H3 MET 1 H3 MET 1 5.318 -13.573 18.373 4 HA MET 1 HA MET 1 2.961 -13.506 18.383 5 HB2 MET 1 HB2 MET 1 4.159 -11.703 16.273 6 HB3 MET 1 HB3 MET 1 2.569 -11.467 16.988 7 HG2 MET 1 HG2 MET 1 5.196 -11.437 18.457 8 HG3 MET 1 HG3 MET 1 4.226 -10.029 18.027 9 HE1 MET 1 HE1 MET 1 4.468 -9.349 20.640 10 HE2 MET 1 HE2 MET 1 5.307 -10.858 21.001 11 HE3 MET 1 HE3 MET 1 3.909 -10.375 21.961 12 H ALA 2 H ALA 2 4.303 -14.305 15.226 13 HA ALA 2 HA ALA 2 1.637 -14.904 14.198 14 HB1 ALA 2 HB1 ALA 2 2.760 -15.334 12.074 15 HB2 ALA 2 HB2 ALA 2 4.327 -15.110 12.853 16 HB3 ALA 2 HB3 ALA 2 3.207 -13.754 12.716 17 H GLU 3 H GLU 3 4.741 -16.554 14.365 18 HA GLU 3 HA GLU 3 5.381 -18.684 14.725 19 HB2 GLU 3 HB2 GLU 3 2.808 -18.646 16.273 20 HB3 GLU 3 HB3 GLU 3 3.762 -20.114 16.143 21 HG2 GLU 3 HG2 GLU 3 4.262 -18.980 18.203 22 HG3 GLU 3 HG3 GLU 3 5.673 -18.949 17.146 23 H LYS 4 H LYS 4 1.954 -19.494 14.555 24 HA LYS 4 HA LYS 4 2.586 -21.356 12.392 25 HB2 LYS 4 HB2 LYS 4 0.277 -22.254 12.941 26 HB3 LYS 4 HB3 LYS 4 1.488 -22.415 14.208 27 HG2 LYS 4 HG2 LYS 4 0.576 -20.538 15.392 28 HG3 LYS 4 HG3 LYS 4 -0.555 -20.212 14.078 29 HD2 LYS 4 HD2 LYS 4 -1.644 -22.353 14.477 30 HD3 LYS 4 HD3 LYS 4 -0.495 -22.701 15.772 31 HE2 LYS 4 HE2 LYS 4 -2.661 -21.865 16.605 32 HE3 LYS 4 HE3 LYS 4 -1.309 -20.835 17.058 33 HZ1 LYS 4 HZ1 LYS 4 -1.901 -19.300 15.321 34 HZ2 LYS 4 HZ2 LYS 4 -3.253 -19.579 16.304 35 HZ3 LYS 4 HZ3 LYS 4 -3.147 -20.317 14.781 36 H ASN 5 H ASN 5 0.404 -18.698 13.184 37 HA ASN 5 HA ASN 5 -0.987 -18.800 10.674 38 HB2 ASN 5 HB2 ASN 5 -0.942 -16.797 12.934 39 HB3 ASN 5 HB3 ASN 5 -1.898 -16.557 11.476 40 HD21 ASN 5 HD21 ASN 5 -3.726 -16.525 12.888 41 HD22 ASN 5 HD22 ASN 5 -4.420 -18.010 13.445 42 H ALA 6 H ALA 6 -0.197 -18.096 8.800 43 HA ALA 6 HA ALA 6 2.150 -16.426 8.707 44 HB1 ALA 6 HB1 ALA 6 1.829 -18.234 7.093 45 HB2 ALA 6 HB2 ALA 6 1.976 -16.671 6.287 46 HB3 ALA 6 HB3 ALA 6 0.392 -17.426 6.467 47 H TYR 7 H TYR 7 2.291 -14.311 8.178 48 HA TYR 7 HA TYR 7 -0.229 -12.816 8.183 49 HB2 TYR 7 HB2 TYR 7 1.667 -12.437 9.894 50 HB3 TYR 7 HB3 TYR 7 2.518 -11.647 8.573 51 HD1 TYR 7 HD1 TYR 7 -0.638 -11.539 10.531 52 HD2 TYR 7 HD2 TYR 7 2.095 -9.391 8.079 53 HE1 TYR 7 HE1 TYR 7 -1.825 -9.450 11.052 54 HE2 TYR 7 HE2 TYR 7 0.913 -7.295 8.594 55 HH TYR 7 HH TYR 7 -1.404 -7.055 11.089 56 H THR 8 H THR 8 -0.929 -11.950 6.350 57 HA THR 8 HA THR 8 0.977 -11.595 4.137 58 HB THR 8 HB THR 8 -1.108 -11.577 2.694 59 HG1 THR 8 HG1 THR 8 -3.014 -12.281 3.594 60 HG21 THR 8 HG21 THR 8 -0.552 -14.081 4.287 61 HG22 THR 8 HG22 THR 8 0.345 -13.541 2.868 62 HG23 THR 8 HG23 THR 8 -1.348 -14.012 2.715 63 H VAL 9 H VAL 9 0.323 -9.788 2.586 64 HA VAL 9 HA VAL 9 0.483 -7.359 4.025 65 HB VAL 9 HB VAL 9 1.511 -7.685 1.808 66 HG11 VAL 9 HG11 VAL 9 -0.244 -8.966 0.734 67 HG12 VAL 9 HG12 VAL 9 0.147 -7.532 -0.215 68 HG13 VAL 9 HG13 VAL 9 -1.314 -7.565 0.772 69 HG21 VAL 9 HG21 VAL 9 -0.470 -5.413 1.908 70 HG22 VAL 9 HG22 VAL 9 0.950 -5.495 0.865 71 HG23 VAL 9 HG23 VAL 9 1.146 -5.421 2.616 72 H ALA 10 H ALA 10 -2.208 -9.132 2.734 73 HA ALA 10 HA ALA 10 -4.098 -7.066 2.523 74 HB1 ALA 10 HB1 ALA 10 -5.784 -8.814 2.625 75 HB2 ALA 10 HB2 ALA 10 -4.583 -9.959 3.224 76 HB3 ALA 10 HB3 ALA 10 -4.445 -9.308 1.590 77 H GLN 11 H GLN 11 -3.106 -9.069 5.256 78 HA GLN 11 HA GLN 11 -5.089 -7.975 7.022 79 HB2 GLN 11 HB2 GLN 11 -2.653 -9.686 7.532 80 HB3 GLN 11 HB3 GLN 11 -3.781 -9.193 8.789 81 HG2 GLN 11 HG2 GLN 11 -4.475 -10.833 6.362 82 HG3 GLN 11 HG3 GLN 11 -4.221 -11.458 7.991 83 HE21 GLN 11 HE21 GLN 11 -6.325 -9.631 5.919 84 HE22 GLN 11 HE22 GLN 11 -7.701 -9.634 6.966 85 H LEU 12 H LEU 12 -1.804 -7.272 6.143 86 HA LEU 12 HA LEU 12 -1.103 -5.599 8.293 87 HB2 LEU 12 HB2 LEU 12 0.514 -6.475 6.654 88 HB3 LEU 12 HB3 LEU 12 -0.206 -5.476 5.407 89 HG LEU 12 HG LEU 12 0.487 -3.455 6.655 90 HD11 LEU 12 HD11 LEU 12 0.519 -4.406 8.899 91 HD12 LEU 12 HD12 LEU 12 2.068 -3.664 8.502 92 HD13 LEU 12 HD13 LEU 12 1.893 -5.420 8.460 93 HD21 LEU 12 HD21 LEU 12 1.893 -4.368 4.874 94 HD22 LEU 12 HD22 LEU 12 2.730 -5.380 6.053 95 HD23 LEU 12 HD23 LEU 12 2.863 -3.623 6.144 96 H ALA 13 H ALA 13 -2.910 -5.050 5.339 97 HA ALA 13 HA ALA 13 -3.114 -2.247 5.482 98 HB1 ALA 13 HB1 ALA 13 -5.054 -2.492 4.011 99 HB2 ALA 13 HB2 ALA 13 -5.087 -4.227 4.334 100 HB3 ALA 13 HB3 ALA 13 -3.717 -3.514 3.481 101 H ASP 14 H ASP 14 -5.126 -4.832 6.827 102 HA ASP 14 HA ASP 14 -7.071 -3.174 8.016 103 HB2 ASP 14 HB2 ASP 14 -6.224 -6.005 8.333 104 HB3 ASP 14 HB3 ASP 14 -7.167 -5.297 9.639 105 H GLU 15 H GLU 15 -4.109 -4.627 9.317 106 HA GLU 15 HA GLU 15 -4.301 -3.644 11.927 107 HB2 GLU 15 HB2 GLU 15 -2.680 -5.349 11.238 108 HB3 GLU 15 HB3 GLU 15 -1.841 -4.165 10.248 109 HG2 GLU 15 HG2 GLU 15 -0.635 -4.554 12.298 110 HG3 GLU 15 HG3 GLU 15 -1.251 -2.903 12.262 111 H TYR 16 H TYR 16 -2.802 -2.232 9.048 112 HA TYR 16 HA TYR 16 -1.687 -0.007 10.371 113 HB2 TYR 16 HB2 TYR 16 -0.886 -0.844 8.197 114 HB3 TYR 16 HB3 TYR 16 -2.385 -0.304 7.446 115 HD1 TYR 16 HD1 TYR 16 0.809 0.759 8.896 116 HD2 TYR 16 HD2 TYR 16 -2.794 2.054 7.040 117 HE1 TYR 16 HE1 TYR 16 1.806 2.973 8.511 118 HE2 TYR 16 HE2 TYR 16 -1.803 4.266 6.649 119 HH TYR 16 HH TYR 16 1.459 4.886 6.910 120 H PHE 17 H PHE 17 -4.783 -0.397 8.634 121 HA PHE 17 HA PHE 17 -5.302 2.415 8.750 122 HB2 PHE 17 HB2 PHE 17 -7.098 2.042 7.413 123 HB3 PHE 17 HB3 PHE 17 -6.252 0.535 7.113 124 HD1 PHE 17 HD2 PHE 17 -7.098 -1.559 8.020 125 HD2 PHE 17 HD1 PHE 17 -9.158 2.110 8.632 126 HE1 PHE 17 HE2 PHE 17 -9.118 -2.802 8.667 127 HE2 PHE 17 HE1 PHE 17 -11.183 0.872 9.273 128 HZ PHE 17 HZ PHE 17 -11.162 -1.589 9.291 129 H GLU 18 H GLU 18 -6.044 -0.316 10.797 130 HA GLU 18 HA GLU 18 -7.866 1.035 12.503 131 HB2 GLU 18 HB2 GLU 18 -6.105 -1.375 12.834 132 HB3 GLU 18 HB3 GLU 18 -7.005 -0.727 14.199 133 HG2 GLU 18 HG2 GLU 18 -8.243 -1.604 11.597 134 HG3 GLU 18 HG3 GLU 18 -8.141 -2.598 13.049 135 H ARG 19 H ARG 19 -4.469 1.234 12.077 136 HA ARG 19 HA ARG 19 -3.956 2.372 14.697 137 HB2 ARG 19 HB2 ARG 19 -2.165 2.084 12.279 138 HB3 ARG 19 HB3 ARG 19 -1.645 2.658 13.856 139 HG2 ARG 19 HG2 ARG 19 -2.771 -0.072 13.281 140 HG3 ARG 19 HG3 ARG 19 -1.059 0.318 13.465 141 HD2 ARG 19 HD2 ARG 19 -1.422 1.008 15.744 142 HD3 ARG 19 HD3 ARG 19 -3.160 0.768 15.575 143 HE ARG 19 HE ARG 19 -2.361 -1.666 15.024 144 HH11 ARG 19 HH11 ARG 19 -1.023 0.491 17.456 145 HH12 ARG 19 HH12 ARG 19 -0.630 -0.807 18.550 146 HH21 ARG 19 HH21 ARG 19 -1.858 -3.332 16.444 147 HH22 ARG 19 HH22 ARG 19 -1.117 -2.986 17.978 148 H MET 20 H MET 20 -3.599 3.528 11.333 149 HA MET 20 HA MET 20 -3.075 6.199 12.344 150 HB2 MET 20 HB2 MET 20 -3.118 5.206 9.492 151 HB3 MET 20 HB3 MET 20 -2.498 6.757 10.042 152 HG2 MET 20 HG2 MET 20 -1.394 4.037 10.689 153 HG3 MET 20 HG3 MET 20 -0.674 5.252 9.635 154 HE1 MET 20 HE1 MET 20 0.899 3.786 11.994 155 HE2 MET 20 HE2 MET 20 1.780 5.144 12.694 156 HE3 MET 20 HE3 MET 20 1.632 4.996 10.943 157 H ILE 21 H ILE 21 -5.791 4.508 11.222 158 HA ILE 21 HA ILE 21 -7.173 7.013 10.504 159 HB ILE 21 HB ILE 21 -8.091 4.203 9.869 160 HG12 ILE 21 HG12 ILE 21 -6.467 6.121 8.176 161 HG13 ILE 21 HG13 ILE 21 -5.921 4.574 8.812 162 HG21 ILE 21 HG21 ILE 21 -9.846 5.890 9.793 163 HG22 ILE 21 HG22 ILE 21 -9.456 5.329 8.165 164 HG23 ILE 21 HG23 ILE 21 -8.857 6.890 8.727 165 HD11 ILE 21 HD11 ILE 21 -6.458 4.418 6.457 166 HD12 ILE 21 HD12 ILE 21 -8.101 4.974 6.779 167 HD13 ILE 21 HD13 ILE 21 -7.553 3.423 7.418 168 H ALA 22 H ALA 22 -6.563 5.698 13.179 169 HA ALA 22 HA ALA 22 -9.321 5.532 14.181 170 HB1 ALA 22 HB1 ALA 22 -8.382 4.518 16.190 171 HB2 ALA 22 HB2 ALA 22 -6.757 4.696 15.530 172 HB3 ALA 22 HB3 ALA 22 -7.915 3.620 14.746 173 H GLY 23 H GLY 23 -9.963 7.565 14.540 174 HA2 GLY 23 HA2 GLY 23 -9.362 8.973 16.794 175 HA3 GLY 23 HA3 GLY 23 -8.221 9.591 15.606 176 H ARG 24 H ARG 24 -9.076 10.554 13.664 177 HA ARG 24 HA ARG 24 -11.908 11.241 13.683 178 HB2 ARG 24 HB2 ARG 24 -10.854 13.100 14.870 179 HB3 ARG 24 HB3 ARG 24 -9.672 13.286 13.581 180 HG2 ARG 24 HG2 ARG 24 -11.410 14.989 13.462 181 HG3 ARG 24 HG3 ARG 24 -11.430 13.948 12.038 182 HD2 ARG 24 HD2 ARG 24 -13.237 12.616 13.177 183 HD3 ARG 24 HD3 ARG 24 -13.306 13.896 14.388 184 HE ARG 24 HE ARG 24 -13.537 14.984 11.781 185 HH11 ARG 24 HH11 ARG 24 -15.353 13.237 14.233 186 HH12 ARG 24 HH12 ARG 24 -16.900 13.729 13.608 187 HH21 ARG 24 HH21 ARG 24 -15.566 15.614 10.961 188 HH22 ARG 24 HH22 ARG 24 -17.024 15.102 11.767 189 H TRP 25 H TRP 25 -12.394 10.244 11.813 190 HA TRP 25 HA TRP 25 -10.850 10.974 9.430 191 HB2 TRP 25 HB2 TRP 25 -10.670 8.664 8.716 192 HB3 TRP 25 HB3 TRP 25 -9.963 8.825 10.312 193 HD1 TRP 25 HD1 TRP 25 -12.389 6.838 8.399 194 HE1 TRP 25 HE1 TRP 25 -13.689 5.246 9.936 195 HE3 TRP 25 HE3 TRP 25 -11.018 8.753 12.935 196 HZ2 TRP 25 HZ2 TRP 25 -14.074 4.830 12.688 197 HZ3 TRP 25 HZ3 TRP 25 -11.890 7.686 14.972 198 HH2 TRP 25 HH2 TRP 25 -13.389 5.767 14.848 199 H LYS 26 H LYS 26 -13.760 9.390 10.691 200 HA LYS 26 HA LYS 26 -15.884 9.195 9.939 201 HB2 LYS 26 HB2 LYS 26 -15.094 11.316 7.934 202 HB3 LYS 26 HB3 LYS 26 -16.728 10.719 8.168 203 HG2 LYS 26 HG2 LYS 26 -15.139 12.010 10.370 204 HG3 LYS 26 HG3 LYS 26 -16.157 12.923 9.260 205 HD2 LYS 26 HD2 LYS 26 -17.508 12.563 11.147 206 HD3 LYS 26 HD3 LYS 26 -18.049 11.359 9.978 207 HE2 LYS 26 HE2 LYS 26 -16.790 9.638 11.099 208 HE3 LYS 26 HE3 LYS 26 -16.070 10.821 12.188 209 HZ1 LYS 26 HZ1 LYS 26 -17.878 9.598 13.241 210 HZ2 LYS 26 HZ2 LYS 26 -18.966 10.146 12.063 211 HZ3 LYS 26 HZ3 LYS 26 -18.248 11.251 13.129 212 H HIS 27 H HIS 27 -16.569 7.452 8.980 213 HA HIS 27 HA HIS 27 -16.959 5.803 7.474 214 HB2 HIS 27 HB2 HIS 27 -15.695 7.704 5.494 215 HB3 HIS 27 HB3 HIS 27 -16.458 6.181 5.058 216 HD1 HIS 27 HD1 HIS 27 -17.321 9.243 4.313 217 HD2 HIS 27 HD2 HIS 27 -19.175 6.602 6.946 218 HE1 HIS 27 HE1 HIS 27 -19.706 10.016 4.490 219 HE2 HIS 27 HE2 HIS 27 -20.850 8.262 5.891 220 HA PRO 28 HA PRO 28 -12.633 4.340 8.105 221 HB2 PRO 28 HB2 PRO 28 -13.327 2.026 9.362 222 HB3 PRO 28 HB3 PRO 28 -13.144 3.568 10.203 223 HG2 PRO 28 HG2 PRO 28 -15.629 2.175 9.307 224 HG3 PRO 28 HG3 PRO 28 -15.325 3.082 10.798 225 HD2 PRO 28 HD2 PRO 28 -16.687 4.101 8.662 226 HD3 PRO 28 HD3 PRO 28 -15.771 5.098 9.808 227 H ASN 29 H ASN 29 -15.490 2.573 6.985 228 HA ASN 29 HA ASN 29 -13.960 0.488 5.739 229 HB2 ASN 29 HB2 ASN 29 -16.090 -0.362 4.937 230 HB3 ASN 29 HB3 ASN 29 -16.217 0.065 6.637 231 HD21 ASN 29 HD21 ASN 29 -18.312 -0.247 4.689 232 HD22 ASN 29 HD22 ASN 29 -19.152 1.263 4.607 233 H ILE 30 H ILE 30 -15.116 3.590 4.791 234 HA ILE 30 HA ILE 30 -15.117 3.136 1.978 235 HB ILE 30 HB ILE 30 -14.872 5.719 3.532 236 HG12 ILE 30 HG12 ILE 30 -16.990 4.554 3.906 237 HG13 ILE 30 HG13 ILE 30 -17.251 6.001 2.938 238 HG21 ILE 30 HG21 ILE 30 -13.940 5.941 1.277 239 HG22 ILE 30 HG22 ILE 30 -15.434 6.862 1.458 240 HG23 ILE 30 HG23 ILE 30 -15.445 5.323 0.596 241 HD11 ILE 30 HD11 ILE 30 -17.087 3.190 1.873 242 HD12 ILE 30 HD12 ILE 30 -17.398 4.647 0.928 243 HD13 ILE 30 HD13 ILE 30 -18.567 4.112 2.136 244 H VAL 31 H VAL 31 -12.764 4.597 4.220 245 HA VAL 31 HA VAL 31 -10.761 4.894 2.219 246 HB VAL 31 HB VAL 31 -10.741 6.274 4.244 247 HG11 VAL 31 HG11 VAL 31 -10.065 3.725 5.697 248 HG12 VAL 31 HG12 VAL 31 -11.546 4.667 5.862 249 HG13 VAL 31 HG13 VAL 31 -10.007 5.344 6.393 250 HG21 VAL 31 HG21 VAL 31 -8.353 6.128 4.754 251 HG22 VAL 31 HG22 VAL 31 -8.655 5.957 3.024 252 HG23 VAL 31 HG23 VAL 31 -8.289 4.535 4.001 253 H ARG 32 H ARG 32 -11.659 2.334 4.442 254 HA ARG 32 HA ARG 32 -9.430 0.657 4.070 255 HB2 ARG 32 HB2 ARG 32 -10.940 0.164 5.840 256 HB3 ARG 32 HB3 ARG 32 -12.315 0.099 4.753 257 HG2 ARG 32 HG2 ARG 32 -11.530 -2.104 5.631 258 HG3 ARG 32 HG3 ARG 32 -11.634 -1.992 3.874 259 HD2 ARG 32 HD2 ARG 32 -9.309 -1.904 3.630 260 HD3 ARG 32 HD3 ARG 32 -9.055 -1.477 5.317 261 HE ARG 32 HE ARG 32 -9.037 -3.701 5.834 262 HH11 ARG 32 HH11 ARG 32 -10.595 -3.326 2.722 263 HH12 ARG 32 HH12 ARG 32 -10.655 -5.032 2.396 264 HH21 ARG 32 HH21 ARG 32 -9.085 -5.931 5.429 265 HH22 ARG 32 HH22 ARG 32 -9.802 -6.523 3.954 266 H SER 33 H SER 33 -12.474 0.953 2.287 267 HA SER 33 HA SER 33 -12.003 -1.049 0.377 268 HB2 SER 33 HB2 SER 33 -14.199 0.054 0.758 269 HB3 SER 33 HB3 SER 33 -13.559 1.534 0.049 270 HG SER 33 HG SER 33 -13.503 -0.905 -1.384 271 H ARG 34 H ARG 34 -10.866 2.229 0.657 272 HA ARG 34 HA ARG 34 -9.875 2.491 -2.004 273 HB2 ARG 34 HB2 ARG 34 -10.285 4.211 0.079 274 HB3 ARG 34 HB3 ARG 34 -8.539 4.020 0.139 275 HG2 ARG 34 HG2 ARG 34 -9.108 5.935 -1.197 276 HG3 ARG 34 HG3 ARG 34 -8.409 4.683 -2.227 277 HD2 ARG 34 HD2 ARG 34 -10.572 4.037 -3.019 278 HD3 ARG 34 HD3 ARG 34 -11.367 5.102 -1.862 279 HE ARG 34 HE ARG 34 -9.872 6.828 -3.274 280 HH11 ARG 34 HH11 ARG 34 -12.081 4.282 -4.241 281 HH12 ARG 34 HH12 ARG 34 -12.563 5.083 -5.710 282 HH21 ARG 34 HH21 ARG 34 -10.494 7.883 -5.205 283 HH22 ARG 34 HH22 ARG 34 -11.645 7.122 -6.270 284 H ILE 35 H ILE 35 -8.320 1.900 1.128 285 HA ILE 35 HA ILE 35 -5.694 1.568 0.295 286 HB ILE 35 HB ILE 35 -7.152 0.264 2.595 287 HG12 ILE 35 HG12 ILE 35 -5.323 2.675 2.510 288 HG13 ILE 35 HG13 ILE 35 -7.081 2.746 2.587 289 HG21 ILE 35 HG21 ILE 35 -5.166 -1.031 2.127 290 HG22 ILE 35 HG22 ILE 35 -4.918 -0.080 3.592 291 HG23 ILE 35 HG23 ILE 35 -4.186 0.434 2.072 292 HD11 ILE 35 HD11 ILE 35 -5.278 1.544 4.669 293 HD12 ILE 35 HD12 ILE 35 -7.036 1.640 4.754 294 HD13 ILE 35 HD13 ILE 35 -6.070 3.116 4.764 295 H GLU 36 H GLU 36 -8.285 -0.868 0.445 296 HA GLU 36 HA GLU 36 -6.430 -2.999 -0.009 297 HB2 GLU 36 HB2 GLU 36 -8.380 -4.467 -0.022 298 HB3 GLU 36 HB3 GLU 36 -8.385 -3.384 1.359 299 HG2 GLU 36 HG2 GLU 36 -10.565 -3.273 0.748 300 HG3 GLU 36 HG3 GLU 36 -9.922 -1.930 -0.191 301 H LYS 37 H LYS 37 -7.912 -0.810 -2.131 302 HA LYS 37 HA LYS 37 -7.479 -2.715 -4.330 303 HB2 LYS 37 HB2 LYS 37 -8.896 -1.365 -5.729 304 HB3 LYS 37 HB3 LYS 37 -9.748 -1.766 -4.248 305 HG2 LYS 37 HG2 LYS 37 -9.376 0.455 -3.386 306 HG3 LYS 37 HG3 LYS 37 -8.397 0.868 -4.797 307 HD2 LYS 37 HD2 LYS 37 -11.325 0.130 -4.812 308 HD3 LYS 37 HD3 LYS 37 -10.660 1.748 -5.035 309 HE2 LYS 37 HE2 LYS 37 -9.612 1.107 -7.087 310 HE3 LYS 37 HE3 LYS 37 -10.016 -0.586 -6.826 311 HZ1 LYS 37 HZ1 LYS 37 -11.953 1.612 -7.329 312 HZ2 LYS 37 HZ2 LYS 37 -12.361 -0.006 -7.023 313 HZ3 LYS 37 HZ3 LYS 37 -11.502 0.397 -8.425 314 H ASP 38 H ASP 38 -6.253 0.058 -2.835 315 HA ASP 38 HA ASP 38 -4.684 0.895 -5.133 316 HB2 ASP 38 HB2 ASP 38 -5.417 2.684 -3.742 317 HB3 ASP 38 HB3 ASP 38 -4.878 1.865 -2.282 318 H ILE 39 H ILE 39 -4.049 -0.314 -1.860 319 HA ILE 39 HA ILE 39 -1.258 -0.689 -2.393 320 HB ILE 39 HB ILE 39 -2.984 -1.399 -0.017 321 HG12 ILE 39 HG12 ILE 39 -0.954 0.795 -0.497 322 HG13 ILE 39 HG13 ILE 39 -2.703 0.992 -0.444 323 HG21 ILE 39 HG21 ILE 39 0.018 -1.589 -0.303 324 HG22 ILE 39 HG22 ILE 39 -1.100 -2.935 -0.086 325 HG23 ILE 39 HG23 ILE 39 -0.873 -1.758 1.208 326 HD11 ILE 39 HD11 ILE 39 -0.950 0.135 1.845 327 HD12 ILE 39 HD12 ILE 39 -2.701 0.332 1.904 328 HD13 ILE 39 HD13 ILE 39 -1.665 1.730 1.617 329 H LYS 40 H LYS 40 -4.089 -2.806 -2.170 330 HA LYS 40 HA LYS 40 -2.367 -4.973 -3.163 331 HB2 LYS 40 HB2 LYS 40 -3.995 -6.547 -1.930 332 HB3 LYS 40 HB3 LYS 40 -2.754 -5.720 -1.000 333 HG2 LYS 40 HG2 LYS 40 -4.248 -4.487 0.157 334 HG3 LYS 40 HG3 LYS 40 -5.348 -4.332 -1.214 335 HD2 LYS 40 HD2 LYS 40 -4.990 -6.922 0.278 336 HD3 LYS 40 HD3 LYS 40 -6.168 -5.703 0.767 337 HE2 LYS 40 HE2 LYS 40 -7.200 -5.821 -1.455 338 HE3 LYS 40 HE3 LYS 40 -6.031 -7.049 -1.931 339 HZ1 LYS 40 HZ1 LYS 40 -6.977 -8.604 -0.496 340 HZ2 LYS 40 HZ2 LYS 40 -8.316 -7.819 -1.181 341 HZ3 LYS 40 HZ3 LYS 40 -7.823 -7.432 0.393 342 HA PRO 41 HA PRO 41 -6.006 -4.306 -6.047 343 HB2 PRO 41 HB2 PRO 41 -3.887 -4.447 -8.090 344 HB3 PRO 41 HB3 PRO 41 -5.171 -3.251 -7.886 345 HG2 PRO 41 HG2 PRO 41 -2.610 -2.661 -7.360 346 HG3 PRO 41 HG3 PRO 41 -3.941 -1.987 -6.399 347 HD2 PRO 41 HD2 PRO 41 -2.101 -4.266 -5.754 348 HD3 PRO 41 HD3 PRO 41 -2.678 -2.955 -4.703 349 H ALA 42 H ALA 42 -3.252 -6.445 -5.937 350 HA ALA 42 HA ALA 42 -4.925 -8.687 -6.649 351 HB1 ALA 42 HB1 ALA 42 -4.173 -7.905 -8.848 352 HB2 ALA 42 HB2 ALA 42 -3.508 -9.492 -8.459 353 HB3 ALA 42 HB3 ALA 42 -2.497 -8.054 -8.321 354 H ILE 43 H ILE 43 -1.911 -7.383 -5.566 355 HA ILE 43 HA ILE 43 -0.710 -9.892 -4.878 356 HB ILE 43 HB ILE 43 0.929 -8.372 -3.653 357 HG12 ILE 43 HG12 ILE 43 -0.490 -6.203 -5.194 358 HG13 ILE 43 HG13 ILE 43 -0.823 -6.513 -3.496 359 HG21 ILE 43 HG21 ILE 43 0.443 -7.993 -6.605 360 HG22 ILE 43 HG22 ILE 43 1.394 -9.273 -5.852 361 HG23 ILE 43 HG23 ILE 43 1.945 -7.599 -5.769 362 HD11 ILE 43 HD11 ILE 43 1.839 -5.735 -4.674 363 HD12 ILE 43 HD12 ILE 43 1.516 -6.037 -2.966 364 HD13 ILE 43 HD13 ILE 43 0.745 -4.678 -3.783 365 H GLY 44 H GLY 44 -3.366 -9.068 -3.620 366 HA2 GLY 44 HA2 GLY 44 -2.904 -8.367 -0.912 367 HA3 GLY 44 HA3 GLY 44 -4.398 -9.016 -1.567 368 H SER 45 H SER 45 -3.050 -11.452 -2.554 369 HA SER 45 HA SER 45 -3.173 -12.888 -0.028 370 HB2 SER 45 HB2 SER 45 -3.113 -13.919 -2.874 371 HB3 SER 45 HB3 SER 45 -3.389 -14.897 -1.431 372 HG SER 45 HG SER 45 -5.224 -13.773 -2.824 373 H LEU 46 H LEU 46 -0.774 -11.339 -1.355 374 HA LEU 46 HA LEU 46 1.212 -13.469 -1.278 375 HB2 LEU 46 HB2 LEU 46 1.239 -10.607 -2.129 376 HB3 LEU 46 HB3 LEU 46 2.750 -11.364 -1.668 377 HG LEU 46 HG LEU 46 2.331 -13.116 -3.407 378 HD11 LEU 46 HD11 LEU 46 0.109 -11.266 -4.253 379 HD12 LEU 46 HD12 LEU 46 -0.094 -12.879 -3.571 380 HD13 LEU 46 HD13 LEU 46 0.686 -12.678 -5.139 381 HD21 LEU 46 HD21 LEU 46 2.441 -10.266 -4.378 382 HD22 LEU 46 HD22 LEU 46 2.953 -11.690 -5.284 383 HD23 LEU 46 HD23 LEU 46 3.810 -11.225 -3.815 384 H LYS 47 H LYS 47 2.988 -13.448 0.109 385 HA LYS 47 HA LYS 47 2.500 -12.748 2.795 386 HB2 LYS 47 HB2 LYS 47 4.111 -14.500 1.733 387 HB3 LYS 47 HB3 LYS 47 5.246 -13.164 1.638 388 HG2 LYS 47 HG2 LYS 47 5.739 -14.363 3.610 389 HG3 LYS 47 HG3 LYS 47 4.955 -12.863 4.108 390 HD2 LYS 47 HD2 LYS 47 4.126 -14.813 5.359 391 HD3 LYS 47 HD3 LYS 47 2.854 -14.033 4.421 392 HE2 LYS 47 HE2 LYS 47 2.759 -16.493 4.286 393 HE3 LYS 47 HE3 LYS 47 3.011 -15.734 2.715 394 HZ1 LYS 47 HZ1 LYS 47 5.190 -16.894 4.379 395 HZ2 LYS 47 HZ2 LYS 47 5.321 -16.308 2.791 396 HZ3 LYS 47 HZ3 LYS 47 4.418 -17.708 3.104 397 H VAL 48 H VAL 48 3.659 -11.169 4.101 398 HA VAL 48 HA VAL 48 3.816 -8.595 3.011 399 HB VAL 48 HB VAL 48 5.229 -9.571 5.504 400 HG11 VAL 48 HG11 VAL 48 5.015 -7.247 6.252 401 HG12 VAL 48 HG12 VAL 48 4.307 -6.814 4.695 402 HG13 VAL 48 HG13 VAL 48 5.977 -7.374 4.781 403 HG21 VAL 48 HG21 VAL 48 2.430 -8.496 5.171 404 HG22 VAL 48 HG22 VAL 48 3.219 -8.847 6.709 405 HG23 VAL 48 HG23 VAL 48 2.870 -10.155 5.580 406 H GLU 49 H GLU 49 6.156 -11.144 3.204 407 HA GLU 49 HA GLU 49 8.460 -9.566 2.615 408 HB2 GLU 49 HB2 GLU 49 8.626 -11.775 3.680 409 HB3 GLU 49 HB3 GLU 49 7.952 -12.526 2.241 410 HG2 GLU 49 HG2 GLU 49 9.929 -11.610 0.977 411 HG3 GLU 49 HG3 GLU 49 10.620 -11.177 2.540 412 H ASP 50 H ASP 50 5.871 -10.887 0.734 413 HA ASP 50 HA ASP 50 7.508 -10.912 -1.686 414 HB2 ASP 50 HB2 ASP 50 5.668 -12.723 -0.779 415 HB3 ASP 50 HB3 ASP 50 4.738 -11.806 -1.965 416 H VAL 51 H VAL 51 5.960 -8.600 -0.180 417 HA VAL 51 HA VAL 51 4.487 -7.455 -2.392 418 HB VAL 51 HB VAL 51 3.967 -7.023 0.043 419 HG11 VAL 51 HG11 VAL 51 5.243 -5.269 1.202 420 HG12 VAL 51 HG12 VAL 51 6.427 -5.290 -0.106 421 HG13 VAL 51 HG13 VAL 51 6.202 -6.719 0.904 422 HG21 VAL 51 HG21 VAL 51 3.027 -5.636 -1.708 423 HG22 VAL 51 HG22 VAL 51 4.457 -4.604 -1.680 424 HG23 VAL 51 HG23 VAL 51 3.390 -4.672 -0.277 425 H LYS 52 H LYS 52 7.092 -8.293 -2.936 426 HA LYS 52 HA LYS 52 9.214 -6.594 -2.632 427 HB2 LYS 52 HB2 LYS 52 8.613 -8.524 -4.875 428 HB3 LYS 52 HB3 LYS 52 10.201 -7.843 -4.530 429 HG2 LYS 52 HG2 LYS 52 10.268 -8.909 -2.398 430 HG3 LYS 52 HG3 LYS 52 8.598 -9.437 -2.548 431 HD2 LYS 52 HD2 LYS 52 9.202 -10.918 -4.365 432 HD3 LYS 52 HD3 LYS 52 10.870 -10.330 -4.319 433 HE2 LYS 52 HE2 LYS 52 11.188 -11.226 -2.118 434 HE3 LYS 52 HE3 LYS 52 9.481 -11.643 -1.990 435 HZ1 LYS 52 HZ1 LYS 52 11.024 -13.518 -2.503 436 HZ2 LYS 52 HZ2 LYS 52 11.280 -12.821 -4.031 437 HZ3 LYS 52 HZ3 LYS 52 9.730 -13.340 -3.581 438 HA PRO 53 HA PRO 53 9.342 -2.874 -4.729 439 HB2 PRO 53 HB2 PRO 53 11.328 -4.215 -6.529 440 HB3 PRO 53 HB3 PRO 53 11.377 -2.598 -5.815 441 HG2 PRO 53 HG2 PRO 53 12.723 -4.622 -4.716 442 HG3 PRO 53 HG3 PRO 53 11.926 -3.395 -3.716 443 HD2 PRO 53 HD2 PRO 53 11.212 -6.220 -4.135 444 HD3 PRO 53 HD3 PRO 53 10.758 -5.125 -2.816 445 H ARG 54 H ARG 54 9.629 -5.418 -7.263 446 HA ARG 54 HA ARG 54 8.651 -3.697 -9.281 447 HB2 ARG 54 HB2 ARG 54 8.580 -5.631 -10.727 448 HB3 ARG 54 HB3 ARG 54 10.049 -5.668 -9.763 449 HG2 ARG 54 HG2 ARG 54 9.186 -7.385 -8.367 450 HG3 ARG 54 HG3 ARG 54 7.572 -7.223 -9.065 451 HD2 ARG 54 HD2 ARG 54 8.443 -7.963 -11.231 452 HD3 ARG 54 HD3 ARG 54 10.049 -8.135 -10.522 453 HE ARG 54 HE ARG 54 9.090 -9.888 -9.086 454 HH11 ARG 54 HH11 ARG 54 7.339 -8.988 -11.980 455 HH12 ARG 54 HH12 ARG 54 6.554 -10.526 -12.134 456 HH21 ARG 54 HH21 ARG 54 8.095 -11.917 -9.303 457 HH22 ARG 54 HH22 ARG 54 6.956 -12.190 -10.597 458 H HIS 55 H HIS 55 6.991 -5.518 -6.892 459 HA HIS 55 HA HIS 55 4.521 -5.727 -8.358 460 HB2 HIS 55 HB2 HIS 55 5.119 -6.069 -5.411 461 HB3 HIS 55 HB3 HIS 55 3.533 -6.327 -6.131 462 HD1 HIS 55 HD1 HIS 55 5.687 -8.435 -4.765 463 HD2 HIS 55 HD2 HIS 55 4.490 -8.095 -8.729 464 HE1 HIS 55 HE1 HIS 55 6.201 -10.655 -5.810 465 HE2 HIS 55 HE2 HIS 55 5.419 -10.448 -8.202 466 H ILE 56 H ILE 56 5.921 -3.523 -6.001 467 HA ILE 56 HA ILE 56 3.615 -1.897 -5.665 468 HB ILE 56 HB ILE 56 6.542 -1.192 -5.332 469 HG12 ILE 56 HG12 ILE 56 5.836 -3.020 -3.871 470 HG13 ILE 56 HG13 ILE 56 6.120 -1.558 -2.931 471 HG21 ILE 56 HG21 ILE 56 4.092 0.265 -4.352 472 HG22 ILE 56 HG22 ILE 56 5.205 0.817 -5.604 473 HG23 ILE 56 HG23 ILE 56 5.757 0.665 -3.936 474 HD11 ILE 56 HD11 ILE 56 4.134 -2.751 -2.181 475 HD12 ILE 56 HD12 ILE 56 3.427 -2.593 -3.790 476 HD13 ILE 56 HD13 ILE 56 3.724 -1.156 -2.811 477 H ASP 57 H ASP 57 6.387 -1.805 -7.831 478 HA ASP 57 HA ASP 57 5.792 0.556 -9.221 479 HB2 ASP 57 HB2 ASP 57 7.937 -0.473 -9.513 480 HB3 ASP 57 HB3 ASP 57 7.211 -1.982 -10.044 481 H ASP 58 H ASP 58 4.668 -2.736 -9.582 482 HA ASP 58 HA ASP 58 3.365 -2.304 -12.093 483 HB2 ASP 58 HB2 ASP 58 4.268 -4.513 -11.214 484 HB3 ASP 58 HB3 ASP 58 2.849 -4.578 -10.174 485 H VAL 59 H VAL 59 2.268 -2.422 -8.721 486 HA VAL 59 HA VAL 59 -0.494 -2.260 -9.414 487 HB VAL 59 HB VAL 59 -0.931 -1.835 -7.052 488 HG11 VAL 59 HG11 VAL 59 -0.615 -4.121 -7.777 489 HG12 VAL 59 HG12 VAL 59 0.022 -3.905 -6.147 490 HG13 VAL 59 HG13 VAL 59 1.125 -3.985 -7.521 491 HG21 VAL 59 HG21 VAL 59 2.066 -1.721 -6.725 492 HG22 VAL 59 HG22 VAL 59 0.882 -1.727 -5.418 493 HG23 VAL 59 HG23 VAL 59 0.950 -0.368 -6.540 494 H LEU 60 H LEU 60 2.021 0.087 -8.918 495 HA LEU 60 HA LEU 60 0.373 2.337 -8.477 496 HB2 LEU 60 HB2 LEU 60 3.187 2.069 -9.502 497 HB3 LEU 60 HB3 LEU 60 2.408 3.625 -9.307 498 HG LEU 60 HG LEU 60 2.937 1.633 -7.101 499 HD11 LEU 60 HD11 LEU 60 4.182 4.319 -7.671 500 HD12 LEU 60 HD12 LEU 60 4.956 2.752 -7.910 501 HD13 LEU 60 HD13 LEU 60 4.526 3.284 -6.284 502 HD21 LEU 60 HD21 LEU 60 2.158 3.423 -5.608 503 HD22 LEU 60 HD22 LEU 60 0.885 2.862 -6.696 504 HD23 LEU 60 HD23 LEU 60 1.712 4.386 -7.017 505 H LYS 61 H LYS 61 1.572 0.817 -11.435 506 HA LYS 61 HA LYS 61 0.715 2.745 -13.296 507 HB2 LYS 61 HB2 LYS 61 0.398 -0.201 -13.777 508 HB3 LYS 61 HB3 LYS 61 0.826 1.051 -14.923 509 HG2 LYS 61 HG2 LYS 61 2.997 0.864 -14.506 510 HG3 LYS 61 HG3 LYS 61 2.747 0.709 -12.761 511 HD2 LYS 61 HD2 LYS 61 2.907 -1.501 -12.870 512 HD3 LYS 61 HD3 LYS 61 1.676 -1.570 -14.132 513 HE2 LYS 61 HE2 LYS 61 3.717 -2.557 -14.887 514 HE3 LYS 61 HE3 LYS 61 3.374 -1.094 -15.802 515 HZ1 LYS 61 HZ1 LYS 61 4.930 0.077 -14.256 516 HZ2 LYS 61 HZ2 LYS 61 5.664 -1.060 -15.271 517 HZ3 LYS 61 HZ3 LYS 61 5.388 -1.436 -13.642 518 H ALA 62 H ALA 62 -0.841 -0.229 -12.256 519 HA ALA 62 HA ALA 62 -3.332 0.013 -13.344 520 HB1 ALA 62 HB1 ALA 62 -4.156 -1.409 -11.539 521 HB2 ALA 62 HB2 ALA 62 -2.704 -1.063 -10.599 522 HB3 ALA 62 HB3 ALA 62 -2.581 -1.950 -12.118 523 H VAL 63 H VAL 63 -2.397 1.363 -10.147 524 HA VAL 63 HA VAL 63 -5.012 2.355 -9.639 525 HB VAL 63 HB VAL 63 -3.363 1.828 -7.849 526 HG11 VAL 63 HG11 VAL 63 -1.707 3.497 -7.212 527 HG12 VAL 63 HG12 VAL 63 -2.112 4.453 -8.638 528 HG13 VAL 63 HG13 VAL 63 -1.383 2.857 -8.824 529 HG21 VAL 63 HG21 VAL 63 -4.015 3.679 -6.382 530 HG22 VAL 63 HG22 VAL 63 -5.367 3.110 -7.361 531 HG23 VAL 63 HG23 VAL 63 -4.535 4.606 -7.790 532 H MET 64 H MET 64 -2.240 3.743 -11.272 533 HA MET 64 HA MET 64 -3.165 6.443 -11.185 534 HB2 MET 64 HB2 MET 64 -1.238 5.050 -13.048 535 HB3 MET 64 HB3 MET 64 -1.596 6.769 -13.138 536 HG2 MET 64 HG2 MET 64 -0.780 7.034 -10.834 537 HG3 MET 64 HG3 MET 64 -0.363 5.321 -10.808 538 HE1 MET 64 HE1 MET 64 3.187 6.898 -11.008 539 HE2 MET 64 HE2 MET 64 2.146 5.735 -10.186 540 HE3 MET 64 HE3 MET 64 1.805 7.461 -10.069 541 H LYS 65 H LYS 65 -3.827 3.696 -13.240 542 HA LYS 65 HA LYS 65 -5.026 5.309 -15.297 543 HB2 LYS 65 HB2 LYS 65 -3.744 3.286 -15.842 544 HB3 LYS 65 HB3 LYS 65 -4.882 2.311 -14.930 545 HG2 LYS 65 HG2 LYS 65 -5.844 3.971 -17.217 546 HG3 LYS 65 HG3 LYS 65 -5.045 2.424 -17.511 547 HD2 LYS 65 HD2 LYS 65 -7.423 2.791 -15.691 548 HD3 LYS 65 HD3 LYS 65 -7.522 2.287 -17.372 549 HE2 LYS 65 HE2 LYS 65 -5.907 0.822 -15.305 550 HE3 LYS 65 HE3 LYS 65 -7.585 0.435 -15.670 551 HZ1 LYS 65 HZ1 LYS 65 -6.980 -0.108 -17.914 552 HZ2 LYS 65 HZ2 LYS 65 -5.975 -0.974 -16.859 553 HZ3 LYS 65 HZ3 LYS 65 -5.377 0.393 -17.664 554 H ARG 66 H ARG 66 -6.154 2.888 -12.924 555 HA ARG 66 HA ARG 66 -8.892 3.381 -13.738 556 HB2 ARG 66 HB2 ARG 66 -9.501 1.545 -12.311 557 HB3 ARG 66 HB3 ARG 66 -8.110 1.091 -13.279 558 HG2 ARG 66 HG2 ARG 66 -6.654 1.505 -11.331 559 HG3 ARG 66 HG3 ARG 66 -8.090 1.877 -10.370 560 HD2 ARG 66 HD2 ARG 66 -8.968 -0.385 -10.998 561 HD3 ARG 66 HD3 ARG 66 -7.391 -0.733 -11.695 562 HE ARG 66 HE ARG 66 -6.815 0.018 -9.149 563 HH11 ARG 66 HH11 ARG 66 -8.973 -2.346 -10.578 564 HH12 ARG 66 HH12 ARG 66 -8.859 -3.452 -9.238 565 HH21 ARG 66 HH21 ARG 66 -6.684 -1.434 -7.363 566 HH22 ARG 66 HH22 ARG 66 -7.582 -2.927 -7.411 567 H GLY 67 H GLY 67 -6.785 4.676 -11.475 568 HA2 GLY 67 HA2 GLY 67 -9.081 5.856 -10.038 569 HA3 GLY 67 HA3 GLY 67 -7.510 5.581 -9.290 570 H ALA 68 H ALA 68 -5.858 6.980 -9.640 571 HA ALA 68 HA ALA 68 -5.768 8.886 -11.724 572 HB1 ALA 68 HB1 ALA 68 -6.076 10.938 -10.434 573 HB2 ALA 68 HB2 ALA 68 -6.506 9.989 -9.012 574 HB3 ALA 68 HB3 ALA 68 -7.549 9.969 -10.432 575 HA PRO 69 HA PRO 69 -1.523 8.694 -10.465 576 HB2 PRO 69 HB2 PRO 69 -0.696 11.130 -11.456 577 HB3 PRO 69 HB3 PRO 69 -0.872 9.665 -12.426 578 HG2 PRO 69 HG2 PRO 69 -2.749 11.973 -12.118 579 HG3 PRO 69 HG3 PRO 69 -2.324 11.060 -13.577 580 HD2 PRO 69 HD2 PRO 69 -4.631 10.636 -12.269 581 HD3 PRO 69 HD3 PRO 69 -3.743 9.308 -13.044 582 H SER 70 H SER 70 -3.601 11.353 -9.653 583 HA SER 70 HA SER 70 -1.950 12.730 -7.834 584 HB2 SER 70 HB2 SER 70 -4.927 12.591 -7.512 585 HB3 SER 70 HB3 SER 70 -3.850 13.980 -7.357 586 HG SER 70 HG SER 70 -4.122 14.384 -9.402 587 H ILE 71 H ILE 71 -3.928 9.873 -7.553 588 HA ILE 71 HA ILE 71 -3.873 9.775 -4.687 589 HB ILE 71 HB ILE 71 -4.678 7.786 -6.803 590 HG12 ILE 71 HG12 ILE 71 -6.865 7.964 -5.479 591 HG13 ILE 71 HG13 ILE 71 -6.135 9.347 -4.673 592 HG21 ILE 71 HG21 ILE 71 -5.376 6.248 -5.017 593 HG22 ILE 71 HG22 ILE 71 -4.583 7.287 -3.833 594 HG23 ILE 71 HG23 ILE 71 -3.627 6.471 -5.071 595 HD11 ILE 71 HD11 ILE 71 -7.577 10.055 -6.477 596 HD12 ILE 71 HD12 ILE 71 -6.660 9.076 -7.621 597 HD13 ILE 71 HD13 ILE 71 -5.899 10.461 -6.837 598 H ALA 72 H ALA 72 -2.111 8.208 -7.315 599 HA ALA 72 HA ALA 72 -0.777 6.265 -5.863 600 HB1 ALA 72 HB1 ALA 72 0.737 6.107 -7.743 601 HB2 ALA 72 HB2 ALA 72 0.192 7.677 -8.333 602 HB3 ALA 72 HB3 ALA 72 -0.925 6.315 -8.297 603 H ASN 73 H ASN 73 0.204 9.641 -6.423 604 HA ASN 73 HA ASN 73 2.814 9.211 -5.330 605 HB2 ASN 73 HB2 ASN 73 3.136 11.604 -5.465 606 HB3 ASN 73 HB3 ASN 73 2.358 11.045 -6.937 607 HD21 ASN 73 HD21 ASN 73 2.041 12.931 -4.057 608 HD22 ASN 73 HD22 ASN 73 0.535 13.687 -4.471 609 H ASP 74 H ASP 74 -0.286 10.207 -4.032 610 HA ASP 74 HA ASP 74 0.793 10.970 -1.482 611 HB2 ASP 74 HB2 ASP 74 -1.340 11.909 -2.364 612 HB3 ASP 74 HB3 ASP 74 -2.078 10.320 -2.163 613 H THR 75 H THR 75 -0.754 8.090 -2.838 614 HA THR 75 HA THR 75 -0.820 6.667 -0.390 615 HB THR 75 HB THR 75 -1.034 4.617 -1.868 616 HG1 THR 75 HG1 THR 75 -1.380 4.985 -4.064 617 HG21 THR 75 HG21 THR 75 -2.953 6.909 -2.283 618 HG22 THR 75 HG22 THR 75 -2.960 5.778 -0.930 619 HG23 THR 75 HG23 THR 75 -3.315 5.206 -2.561 620 H LEU 76 H LEU 76 1.628 7.080 -2.871 621 HA LEU 76 HA LEU 76 3.513 5.227 -2.055 622 HB2 LEU 76 HB2 LEU 76 3.778 6.782 -3.965 623 HB3 LEU 76 HB3 LEU 76 4.035 8.098 -2.838 624 HG LEU 76 HG LEU 76 6.084 6.988 -2.024 625 HD11 LEU 76 HD11 LEU 76 5.519 5.003 -4.224 626 HD12 LEU 76 HD12 LEU 76 5.491 4.680 -2.490 627 HD13 LEU 76 HD13 LEU 76 7.008 5.099 -3.284 628 HD21 LEU 76 HD21 LEU 76 6.238 8.660 -3.779 629 HD22 LEU 76 HD22 LEU 76 5.972 7.423 -5.006 630 HD23 LEU 76 HD23 LEU 76 7.439 7.392 -4.029 631 H ARG 77 H ARG 77 2.706 8.366 -0.610 632 HA ARG 77 HA ARG 77 4.616 8.348 1.478 633 HB2 ARG 77 HB2 ARG 77 1.837 9.543 1.424 634 HB3 ARG 77 HB3 ARG 77 3.059 9.897 2.632 635 HG2 ARG 77 HG2 ARG 77 4.426 11.010 1.037 636 HG3 ARG 77 HG3 ARG 77 3.410 10.458 -0.301 637 HD2 ARG 77 HD2 ARG 77 1.583 11.803 0.437 638 HD3 ARG 77 HD3 ARG 77 2.405 12.191 1.946 639 HE ARG 77 HE ARG 77 4.113 13.246 0.263 640 HH11 ARG 77 HH11 ARG 77 0.608 13.301 0.068 641 HH12 ARG 77 HH12 ARG 77 0.551 14.872 -0.667 642 HH21 ARG 77 HH21 ARG 77 4.034 15.322 -0.704 643 HH22 ARG 77 HH22 ARG 77 2.497 16.017 -1.114 644 H TRP 78 H TRP 78 1.346 7.109 1.201 645 HA TRP 78 HA TRP 78 0.937 6.233 3.835 646 HB2 TRP 78 HB2 TRP 78 -0.699 6.490 1.852 647 HB3 TRP 78 HB3 TRP 78 -0.173 4.883 1.376 648 HD1 TRP 78 HD1 TRP 78 -1.097 2.831 2.776 649 HE1 TRP 78 HE1 TRP 78 -3.007 2.618 4.490 650 HE3 TRP 78 HE3 TRP 78 -1.826 7.790 3.802 651 HZ2 TRP 78 HZ2 TRP 78 -4.606 4.335 6.079 652 HZ3 TRP 78 HZ3 TRP 78 -3.556 8.421 5.430 653 HH2 TRP 78 HH2 TRP 78 -4.917 6.730 6.545 654 H LEU 79 H LEU 79 2.132 4.545 0.958 655 HA LEU 79 HA LEU 79 2.679 2.055 2.128 656 HB2 LEU 79 HB2 LEU 79 4.011 3.445 -0.195 657 HB3 LEU 79 HB3 LEU 79 4.248 1.758 0.215 658 HG LEU 79 HG LEU 79 1.603 2.977 -0.580 659 HD11 LEU 79 HD11 LEU 79 1.912 1.762 -2.683 660 HD12 LEU 79 HD12 LEU 79 3.525 1.274 -2.161 661 HD13 LEU 79 HD13 LEU 79 3.167 2.978 -2.443 662 HD21 LEU 79 HD21 LEU 79 2.432 0.108 -0.157 663 HD22 LEU 79 HD22 LEU 79 0.864 0.653 -0.754 664 HD23 LEU 79 HD23 LEU 79 1.368 1.049 0.889 665 H LYS 80 H LYS 80 4.786 4.866 1.599 666 HA LYS 80 HA LYS 80 7.172 4.019 2.612 667 HB2 LYS 80 HB2 LYS 80 5.897 6.484 2.062 668 HB3 LYS 80 HB3 LYS 80 6.580 6.623 3.674 669 HG2 LYS 80 HG2 LYS 80 8.172 5.688 1.311 670 HG3 LYS 80 HG3 LYS 80 8.025 7.385 1.757 671 HD2 LYS 80 HD2 LYS 80 10.002 6.683 2.746 672 HD3 LYS 80 HD3 LYS 80 8.846 6.672 4.062 673 HE2 LYS 80 HE2 LYS 80 8.629 4.292 3.922 674 HE3 LYS 80 HE3 LYS 80 9.607 4.239 2.458 675 HZ1 LYS 80 HZ1 LYS 80 10.657 5.234 5.050 676 HZ2 LYS 80 HZ2 LYS 80 11.537 4.798 3.663 677 HZ3 LYS 80 HZ3 LYS 80 10.756 3.609 4.580 678 H ARG 81 H ARG 81 4.697 5.681 4.508 679 HA ARG 81 HA ARG 81 5.689 5.275 7.052 680 HB2 ARG 81 HB2 ARG 81 2.800 5.322 6.170 681 HB3 ARG 81 HB3 ARG 81 3.340 5.492 7.832 682 HG2 ARG 81 HG2 ARG 81 4.405 7.581 7.336 683 HG3 ARG 81 HG3 ARG 81 4.085 7.383 5.611 684 HD2 ARG 81 HD2 ARG 81 1.684 7.461 6.037 685 HD3 ARG 81 HD3 ARG 81 1.987 7.628 7.765 686 HE ARG 81 HE ARG 81 2.972 9.809 7.301 687 HH11 ARG 81 HH11 ARG 81 1.013 8.371 4.766 688 HH12 ARG 81 HH12 ARG 81 0.640 9.890 4.011 689 HH21 ARG 81 HH21 ARG 81 2.487 11.786 6.332 690 HH22 ARG 81 HH22 ARG 81 1.500 11.843 4.906 691 H MET 82 H MET 82 3.527 3.150 5.192 692 HA MET 82 HA MET 82 3.026 1.320 7.272 693 HB2 MET 82 HB2 MET 82 1.576 1.466 5.336 694 HB3 MET 82 HB3 MET 82 2.884 0.950 4.279 695 HG2 MET 82 HG2 MET 82 2.926 -1.225 5.385 696 HG3 MET 82 HG3 MET 82 1.617 -0.711 6.448 697 HE1 MET 82 HE1 MET 82 -1.358 -0.304 3.942 698 HE2 MET 82 HE2 MET 82 -0.247 0.937 4.524 699 HE3 MET 82 HE3 MET 82 -0.872 -0.281 5.637 700 H PHE 83 H PHE 83 5.302 1.116 4.535 701 HA PHE 83 HA PHE 83 6.296 -1.431 5.264 702 HB2 PHE 83 HB2 PHE 83 7.523 0.731 3.543 703 HB3 PHE 83 HB3 PHE 83 8.167 -0.902 3.697 704 HD1 PHE 83 HD2 PHE 83 5.717 -2.513 3.661 705 HD2 PHE 83 HD1 PHE 83 6.809 0.888 1.347 706 HE1 PHE 83 HE2 PHE 83 4.233 -3.272 1.855 707 HE2 PHE 83 HE1 PHE 83 5.325 0.135 -0.465 708 HZ PHE 83 HZ PHE 83 4.034 -1.950 -0.211 709 H ASN 84 H ASN 84 7.334 1.850 6.034 710 HA ASN 84 HA ASN 84 9.756 1.105 7.305 711 HB2 ASN 84 HB2 ASN 84 9.225 3.420 6.538 712 HB3 ASN 84 HB3 ASN 84 8.063 3.553 7.853 713 HD21 ASN 84 HD21 ASN 84 8.783 3.929 9.914 714 HD22 ASN 84 HD22 ASN 84 10.438 4.238 10.300 715 H TYR 85 H TYR 85 6.439 1.462 8.410 716 HA TYR 85 HA TYR 85 6.909 1.092 11.169 717 HB2 TYR 85 HB2 TYR 85 4.779 1.946 10.214 718 HB3 TYR 85 HB3 TYR 85 4.454 0.348 9.557 719 HD1 TYR 85 HD1 TYR 85 4.887 2.226 12.732 720 HD2 TYR 85 HD2 TYR 85 3.421 -1.315 10.876 721 HE1 TYR 85 HE1 TYR 85 3.754 1.602 14.825 722 HE2 TYR 85 HE2 TYR 85 2.288 -1.949 12.962 723 HH TYR 85 HH TYR 85 1.831 0.194 15.531 724 H ALA 86 H ALA 86 6.404 -1.139 8.499 725 HA ALA 86 HA ALA 86 6.275 -3.506 10.051 726 HB1 ALA 86 HB1 ALA 86 7.138 -3.197 7.175 727 HB2 ALA 86 HB2 ALA 86 5.471 -3.360 7.725 728 HB3 ALA 86 HB3 ALA 86 6.608 -4.687 7.959 729 H ILE 87 H ILE 87 8.913 -1.654 8.645 730 HA ILE 87 HA ILE 87 10.981 -3.518 9.113 731 HB ILE 87 HB ILE 87 11.137 -0.499 8.999 732 HG12 ILE 87 HG12 ILE 87 11.673 -2.580 6.867 733 HG13 ILE 87 HG13 ILE 87 10.240 -1.562 6.950 734 HG21 ILE 87 HG21 ILE 87 13.526 -0.844 8.493 735 HG22 ILE 87 HG22 ILE 87 13.325 -2.567 8.810 736 HG23 ILE 87 HG23 ILE 87 13.093 -1.399 10.110 737 HD11 ILE 87 HD11 ILE 87 11.824 -0.726 5.317 738 HD12 ILE 87 HD12 ILE 87 13.066 -0.607 6.562 739 HD13 ILE 87 HD13 ILE 87 11.633 0.417 6.647 740 H LYS 88 H LYS 88 9.514 -1.025 11.125 741 HA LYS 88 HA LYS 88 11.349 -1.036 13.258 742 HB2 LYS 88 HB2 LYS 88 8.363 -0.617 13.399 743 HB3 LYS 88 HB3 LYS 88 9.547 -0.070 14.576 744 HG2 LYS 88 HG2 LYS 88 10.388 1.568 13.126 745 HG3 LYS 88 HG3 LYS 88 9.582 0.857 11.722 746 HD2 LYS 88 HD2 LYS 88 8.422 2.860 12.541 747 HD3 LYS 88 HD3 LYS 88 7.416 1.417 12.654 748 HE2 LYS 88 HE2 LYS 88 7.103 2.527 14.694 749 HE3 LYS 88 HE3 LYS 88 8.226 1.224 15.048 750 HZ1 LYS 88 HZ1 LYS 88 8.969 3.235 16.096 751 HZ2 LYS 88 HZ2 LYS 88 8.948 4.077 14.625 752 HZ3 LYS 88 HZ3 LYS 88 10.060 2.818 14.867 753 H ARG 89 H ARG 89 8.258 -2.733 12.883 754 HA ARG 89 HA ARG 89 8.625 -4.438 15.139 755 HB2 ARG 89 HB2 ARG 89 6.841 -4.744 12.719 756 HB3 ARG 89 HB3 ARG 89 6.793 -5.806 14.116 757 HG2 ARG 89 HG2 ARG 89 6.266 -3.813 15.521 758 HG3 ARG 89 HG3 ARG 89 6.131 -2.875 14.031 759 HD2 ARG 89 HD2 ARG 89 4.359 -4.336 13.243 760 HD3 ARG 89 HD3 ARG 89 4.528 -5.347 14.676 761 HE ARG 89 HE ARG 89 3.719 -2.522 14.880 762 HH11 ARG 89 HH11 ARG 89 3.190 -5.906 15.539 763 HH12 ARG 89 HH12 ARG 89 1.821 -5.643 16.572 764 HH21 ARG 89 HH21 ARG 89 1.913 -2.139 16.215 765 HH22 ARG 89 HH22 ARG 89 1.103 -3.480 16.978 766 H HIS 90 H HIS 90 10.226 -4.363 12.262 767 HA HIS 90 HA HIS 90 11.549 -5.736 11.068 768 HB2 HIS 90 HB2 HIS 90 12.635 -6.011 13.295 769 HB3 HIS 90 HB3 HIS 90 11.637 -7.436 13.571 770 HD1 HIS 90 HD1 HIS 90 13.340 -9.283 13.482 771 HD2 HIS 90 HD2 HIS 90 13.656 -6.669 10.262 772 HE1 HIS 90 HE1 HIS 90 14.972 -10.350 11.892 773 HE2 HIS 90 HE2 HIS 90 14.973 -8.857 9.860 774 H ILE 91 H ILE 91 8.864 -6.070 10.612 775 HA ILE 91 HA ILE 91 8.314 -8.877 10.283 776 HB ILE 91 HB ILE 91 7.107 -6.521 8.807 777 HG12 ILE 91 HG12 ILE 91 6.110 -7.971 11.271 778 HG13 ILE 91 HG13 ILE 91 6.821 -6.362 11.262 779 HG21 ILE 91 HG21 ILE 91 6.144 -9.359 9.147 780 HG22 ILE 91 HG22 ILE 91 6.753 -8.632 7.660 781 HG23 ILE 91 HG23 ILE 91 5.241 -8.061 8.366 782 HD11 ILE 91 HD11 ILE 91 4.967 -5.577 9.856 783 HD12 ILE 91 HD12 ILE 91 4.421 -6.220 11.404 784 HD13 ILE 91 HD13 ILE 91 4.249 -7.185 9.938 785 H ILE 92 H ILE 92 9.178 -6.218 8.118 786 HA ILE 92 HA ILE 92 10.967 -8.031 6.678 787 HB ILE 92 HB ILE 92 10.440 -6.794 4.557 788 HG12 ILE 92 HG12 ILE 92 8.005 -5.861 6.102 789 HG13 ILE 92 HG13 ILE 92 9.351 -4.835 5.623 790 HG21 ILE 92 HG21 ILE 92 8.379 -8.062 4.081 791 HG22 ILE 92 HG22 ILE 92 8.217 -8.403 5.805 792 HG23 ILE 92 HG23 ILE 92 9.603 -9.026 4.908 793 HD11 ILE 92 HD11 ILE 92 7.481 -6.275 3.759 794 HD12 ILE 92 HD12 ILE 92 8.831 -5.251 3.275 795 HD13 ILE 92 HD13 ILE 92 7.458 -4.553 4.135 796 H GLU 93 H GLU 93 12.950 -7.171 6.313 797 HA GLU 93 HA GLU 93 13.426 -4.489 7.356 798 HB2 GLU 93 HB2 GLU 93 15.871 -5.151 7.013 799 HB3 GLU 93 HB3 GLU 93 14.967 -6.019 8.244 800 HG2 GLU 93 HG2 GLU 93 15.164 -7.149 5.489 801 HG3 GLU 93 HG3 GLU 93 16.524 -7.299 6.600 802 H TYR 94 H TYR 94 12.179 -5.124 4.688 803 HA TYR 94 HA TYR 94 14.037 -3.539 3.047 804 HB2 TYR 94 HB2 TYR 94 12.206 -5.773 2.139 805 HB3 TYR 94 HB3 TYR 94 13.108 -4.719 1.057 806 HD1 TYR 94 HD1 TYR 94 15.651 -4.723 1.245 807 HD2 TYR 94 HD2 TYR 94 13.194 -7.714 3.004 808 HE1 TYR 94 HE1 TYR 94 17.588 -6.229 1.366 809 HE2 TYR 94 HE2 TYR 94 15.126 -9.231 3.134 810 HH TYR 94 HH TYR 94 17.313 -9.534 1.965 811 H ASN 95 H ASN 95 13.186 -1.847 1.920 812 HA ASN 95 HA ASN 95 10.335 -1.281 2.318 813 HB2 ASN 95 HB2 ASN 95 11.871 0.376 3.292 814 HB3 ASN 95 HB3 ASN 95 12.636 0.599 1.723 815 HD21 ASN 95 HD21 ASN 95 11.611 1.787 0.169 816 HD22 ASN 95 HD22 ASN 95 10.227 2.766 0.495 817 HA PRO 96 HA PRO 96 10.739 -2.802 -1.969 818 HB2 PRO 96 HB2 PRO 96 8.019 -3.069 -2.330 819 HB3 PRO 96 HB3 PRO 96 9.074 -4.307 -1.641 820 HG2 PRO 96 HG2 PRO 96 7.324 -2.317 -0.256 821 HG3 PRO 96 HG3 PRO 96 7.595 -4.028 0.124 822 HD2 PRO 96 HD2 PRO 96 8.789 -2.097 1.533 823 HD3 PRO 96 HD3 PRO 96 9.640 -3.607 1.142 824 H ALA 97 H ALA 97 8.851 -0.092 -0.833 825 HA ALA 97 HA ALA 97 7.997 0.791 -3.408 826 HB1 ALA 97 HB1 ALA 97 7.310 2.831 -2.268 827 HB2 ALA 97 HB2 ALA 97 8.194 2.334 -0.824 828 HB3 ALA 97 HB3 ALA 97 6.797 1.404 -1.370 829 H ALA 98 H ALA 98 11.000 0.780 -1.945 830 HA ALA 98 HA ALA 98 11.985 3.334 -2.765 831 HB1 ALA 98 HB1 ALA 98 14.166 2.489 -2.105 832 HB2 ALA 98 HB2 ALA 98 13.512 0.854 -1.988 833 HB3 ALA 98 HB3 ALA 98 12.951 2.110 -0.885 834 H ALA 99 H ALA 99 11.217 0.619 -4.552 835 HA ALA 99 HA ALA 99 13.353 0.807 -6.482 836 HB1 ALA 99 HB1 ALA 99 12.196 -1.318 -6.080 837 HB2 ALA 99 HB2 ALA 99 12.081 -0.817 -7.766 838 HB3 ALA 99 HB3 ALA 99 10.699 -0.609 -6.689 839 H PHE 100 H PHE 100 10.002 1.878 -6.223 840 HA PHE 100 HA PHE 100 10.056 3.154 -8.812 841 HB2 PHE 100 HB2 PHE 100 7.961 2.201 -7.800 842 HB3 PHE 100 HB3 PHE 100 8.029 3.466 -6.579 843 HD1 PHE 100 HD1 PHE 100 7.374 2.700 -10.088 844 HD2 PHE 100 HD2 PHE 100 7.473 5.760 -7.131 845 HE1 PHE 100 HE1 PHE 100 6.101 4.182 -11.583 846 HE2 PHE 100 HE2 PHE 100 6.203 7.249 -8.621 847 HZ PHE 100 HZ PHE 100 5.514 6.458 -10.850 848 H ASP 101 H ASP 101 9.815 4.207 -5.434 849 HA ASP 101 HA ASP 101 11.758 6.246 -5.746 850 HB2 ASP 101 HB2 ASP 101 9.798 7.346 -6.862 851 HB3 ASP 101 HB3 ASP 101 8.918 7.223 -5.341 852 HA PRO 102 HA PRO 102 11.707 4.765 -1.517 853 HB2 PRO 102 HB2 PRO 102 13.889 6.269 -0.746 854 HB3 PRO 102 HB3 PRO 102 13.985 4.682 -1.511 855 HG2 PRO 102 HG2 PRO 102 14.281 7.391 -2.729 856 HG3 PRO 102 HG3 PRO 102 15.185 5.903 -3.062 857 HD2 PRO 102 HD2 PRO 102 13.246 6.776 -4.707 858 HD3 PRO 102 HD3 PRO 102 13.527 5.046 -4.425 859 H GLY 103 H GLY 103 11.817 8.121 -2.531 860 HA2 GLY 103 HA2 GLY 103 10.971 10.037 -1.601 861 HA3 GLY 103 HA3 GLY 103 9.880 8.989 -0.702 862 H ASP 104 H ASP 104 10.002 9.218 1.393 863 HA ASP 104 HA ASP 104 10.700 9.818 3.467 864 HB2 ASP 104 HB2 ASP 104 11.866 7.671 3.238 865 HB3 ASP 104 HB3 ASP 104 13.253 8.486 2.524 866 H ALA 105 H ALA 105 10.560 12.062 2.890 867 HA ALA 105 HA ALA 105 13.068 13.397 2.250 868 HB1 ALA 105 HB1 ALA 105 11.704 15.404 1.948 869 HB2 ALA 105 HB2 ALA 105 10.277 14.518 2.486 870 HB3 ALA 105 HB3 ALA 105 11.088 14.058 0.989 871 H GLY 106 H GLY 106 14.268 13.382 4.090 872 HA2 GLY 106 HA2 GLY 106 13.299 14.136 6.656 873 HA3 GLY 106 HA3 GLY 106 14.987 14.076 6.165 874 H GLY 107 H GLY 107 12.164 16.039 6.486 875 HA2 GLY 107 HA2 GLY 107 13.253 18.457 6.954 876 HA3 GLY 107 HA3 GLY 107 13.308 18.347 5.196 877 H LYS 108 H LYS 108 11.114 17.759 7.886 878 HA LYS 108 HA LYS 108 8.960 18.328 8.271 879 HB2 LYS 108 HB2 LYS 108 9.374 19.980 5.817 880 HB3 LYS 108 HB3 LYS 108 7.745 19.730 6.429 881 HG2 LYS 108 HG2 LYS 108 10.047 20.935 7.950 882 HG3 LYS 108 HG3 LYS 108 8.669 21.802 7.268 883 HD2 LYS 108 HD2 LYS 108 7.772 21.540 9.312 884 HD3 LYS 108 HD3 LYS 108 7.422 19.908 8.764 885 HE2 LYS 108 HE2 LYS 108 8.483 19.949 10.982 886 HE3 LYS 108 HE3 LYS 108 9.449 19.087 9.788 887 HZ1 LYS 108 HZ1 LYS 108 10.990 20.803 9.678 888 HZ2 LYS 108 HZ2 LYS 108 10.626 20.716 11.333 889 HZ3 LYS 108 HZ3 LYS 108 9.941 21.937 10.376 890 H LEU 109 H LEU 109 7.867 16.573 8.299 891 HA LEU 109 HA LEU 109 7.072 15.318 5.751 892 HB2 LEU 109 HB2 LEU 109 8.579 13.898 7.047 893 HB3 LEU 109 HB3 LEU 109 7.537 14.033 8.449 894 HG LEU 109 HG LEU 109 5.750 12.856 7.161 895 HD11 LEU 109 HD11 LEU 109 7.968 12.425 5.165 896 HD12 LEU 109 HD12 LEU 109 6.507 13.376 4.908 897 HD13 LEU 109 HD13 LEU 109 6.393 11.632 5.139 898 HD21 LEU 109 HD21 LEU 109 8.355 11.369 7.460 899 HD22 LEU 109 HD22 LEU 109 6.748 10.647 7.387 900 HD23 LEU 109 HD23 LEU 109 7.190 11.678 8.747 901 H GLU 110 H GLU 110 6.018 15.185 9.144 902 HA GLU 110 HA GLU 110 3.452 16.311 8.456 903 HB2 GLU 110 HB2 GLU 110 2.214 14.381 9.470 904 HB3 GLU 110 HB3 GLU 110 2.971 14.030 7.924 905 HG2 GLU 110 HG2 GLU 110 4.870 13.000 9.180 906 HG3 GLU 110 HG3 GLU 110 3.920 13.199 10.653 907 H HIS 111 H HIS 111 2.444 17.247 10.192 908 HA HIS 111 HA HIS 111 3.952 17.136 12.727 909 HB2 HIS 111 HB2 HIS 111 4.398 19.215 11.448 910 HB3 HIS 111 HB3 HIS 111 2.676 19.572 11.458 911 HD1 HIS 111 HD1 HIS 111 2.239 21.388 13.054 912 HD2 HIS 111 HD2 HIS 111 5.179 18.797 14.447 913 HE1 HIS 111 HE1 HIS 111 2.899 22.262 15.322 914 HE2 HIS 111 HE2 HIS 111 4.834 20.811 16.035 915 H HIS 112 H HIS 112 2.517 15.715 13.703 916 HA HIS 112 HA HIS 112 -0.299 16.524 13.840 917 HB2 HIS 112 HB2 HIS 112 0.242 14.193 13.092 918 HB3 HIS 112 HB3 HIS 112 0.938 13.890 14.680 919 HD1 HIS 112 HD1 HIS 112 -2.038 13.266 12.895 920 HD2 HIS 112 HD2 HIS 112 -1.213 14.511 16.778 921 HE1 HIS 112 HE1 HIS 112 -4.128 12.812 14.219 922 HE2 HIS 112 HE2 HIS 112 -3.671 13.773 16.503 923 H HIS 113 H HIS 113 -0.927 17.603 15.548 924 HA HIS 113 HA HIS 113 0.255 16.949 18.174 925 HB2 HIS 113 HB2 HIS 113 0.655 19.301 17.453 926 HB3 HIS 113 HB3 HIS 113 -1.084 19.531 17.310 927 HD1 HIS 113 HD1 HIS 113 -2.323 20.203 19.381 928 HD2 HIS 113 HD2 HIS 113 1.548 18.926 20.186 929 HE1 HIS 113 HE1 HIS 113 -1.953 20.669 21.819 930 HE2 HIS 113 HE2 HIS 113 0.287 19.643 22.328 931 H HIS 114 H HIS 114 -1.310 16.969 19.984 932 HA HIS 114 HA HIS 114 -3.540 15.397 19.514 933 HB2 HIS 114 HB2 HIS 114 -2.475 15.672 21.721 934 HB3 HIS 114 HB3 HIS 114 -3.128 17.303 21.827 935 HD1 HIS 114 HD1 HIS 114 -4.388 13.726 21.540 936 HD2 HIS 114 HD2 HIS 114 -5.594 17.441 22.971 937 HE1 HIS 114 HE1 HIS 114 -6.559 13.321 22.739 938 HE2 HIS 114 HE2 HIS 114 -7.171 15.544 23.745 939 H HIS 115 H HIS 115 -5.164 15.864 18.273 940 HA HIS 115 HA HIS 115 -7.052 16.776 17.464 941 HB2 HIS 115 HB2 HIS 115 -7.384 17.215 20.015 942 HB3 HIS 115 HB3 HIS 115 -7.088 18.897 19.582 943 HD1 HIS 115 HD1 HIS 115 -9.408 19.863 19.795 944 HD2 HIS 115 HD2 HIS 115 -9.313 16.381 17.511 945 HE1 HIS 115 HE1 HIS 115 -11.714 19.627 18.808 946 HE2 HIS 115 HE2 HIS 115 -11.613 17.549 17.379 947 H HIS 116 H HIS 116 -5.508 19.718 18.772 948 HA HIS 116 HA HIS 116 -5.764 20.950 16.131 949 HB2 HIS 116 HB2 HIS 116 -5.197 22.011 18.882 950 HB3 HIS 116 HB3 HIS 116 -4.785 22.971 17.466 951 HD1 HIS 116 HD1 HIS 116 -6.595 24.391 16.539 952 HD2 HIS 116 HD2 HIS 116 -8.077 21.369 18.986 953 HE1 HIS 116 HE1 HIS 116 -9.061 24.836 16.748 954 HE2 HIS 116 HE2 HIS 116 -9.891 23.128 18.401 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -4.424 -10.474 16.602 2 H2 MET 1 H2 MET 1 -5.565 -9.584 15.721 3 H3 MET 1 H3 MET 1 -4.203 -8.811 16.362 4 HA MET 1 HA MET 1 -4.052 -9.206 13.958 5 HB2 MET 1 HB2 MET 1 -2.058 -10.658 15.718 6 HB3 MET 1 HB3 MET 1 -1.788 -10.278 14.024 7 HG2 MET 1 HG2 MET 1 -0.652 -8.655 15.337 8 HG3 MET 1 HG3 MET 1 -2.034 -7.872 14.577 9 HE1 MET 1 HE1 MET 1 -1.694 -5.994 18.003 10 HE2 MET 1 HE2 MET 1 -1.726 -5.828 16.248 11 HE3 MET 1 HE3 MET 1 -0.369 -6.638 17.033 12 H ALA 2 H ALA 2 -3.064 -11.070 12.507 13 HA ALA 2 HA ALA 2 -5.004 -13.203 12.539 14 HB1 ALA 2 HB1 ALA 2 -4.034 -13.870 10.426 15 HB2 ALA 2 HB2 ALA 2 -2.686 -12.760 10.666 16 HB3 ALA 2 HB3 ALA 2 -4.317 -12.130 10.434 17 H GLU 3 H GLU 3 -4.731 -14.847 13.855 18 HA GLU 3 HA GLU 3 -3.852 -16.603 14.975 19 HB2 GLU 3 HB2 GLU 3 -1.551 -16.335 13.033 20 HB3 GLU 3 HB3 GLU 3 -1.797 -17.686 14.129 21 HG2 GLU 3 HG2 GLU 3 -3.930 -18.179 13.001 22 HG3 GLU 3 HG3 GLU 3 -3.602 -16.870 11.865 23 H LYS 4 H LYS 4 -0.809 -14.956 14.202 24 HA LYS 4 HA LYS 4 -0.501 -13.960 16.881 25 HB2 LYS 4 HB2 LYS 4 1.669 -15.264 17.213 26 HB3 LYS 4 HB3 LYS 4 0.171 -16.154 17.439 27 HG2 LYS 4 HG2 LYS 4 0.400 -17.088 15.184 28 HG3 LYS 4 HG3 LYS 4 1.919 -16.216 14.988 29 HD2 LYS 4 HD2 LYS 4 2.908 -17.461 16.814 30 HD3 LYS 4 HD3 LYS 4 1.376 -18.282 17.118 31 HE2 LYS 4 HE2 LYS 4 1.478 -19.268 14.867 32 HE3 LYS 4 HE3 LYS 4 3.031 -18.475 14.604 33 HZ1 LYS 4 HZ1 LYS 4 3.998 -19.768 16.359 34 HZ2 LYS 4 HZ2 LYS 4 3.230 -20.820 15.275 35 HZ3 LYS 4 HZ3 LYS 4 2.494 -20.453 16.755 36 H ASN 5 H ASN 5 1.482 -14.937 14.087 37 HA ASN 5 HA ASN 5 2.155 -12.222 13.470 38 HB2 ASN 5 HB2 ASN 5 4.624 -12.557 13.704 39 HB3 ASN 5 HB3 ASN 5 3.771 -12.514 15.241 40 HD21 ASN 5 HD21 ASN 5 5.454 -13.577 16.265 41 HD22 ASN 5 HD22 ASN 5 5.730 -15.273 16.056 42 H ALA 6 H ALA 6 4.130 -12.423 11.748 43 HA ALA 6 HA ALA 6 4.705 -13.042 9.642 44 HB1 ALA 6 HB1 ALA 6 3.853 -15.787 10.562 45 HB2 ALA 6 HB2 ALA 6 5.462 -15.086 10.742 46 HB3 ALA 6 HB3 ALA 6 4.826 -15.430 9.135 47 H TYR 7 H TYR 7 2.015 -12.117 10.191 48 HA TYR 7 HA TYR 7 0.206 -13.617 8.560 49 HB2 TYR 7 HB2 TYR 7 -1.190 -11.425 8.826 50 HB3 TYR 7 HB3 TYR 7 -0.948 -12.483 10.208 51 HD1 TYR 7 HD1 TYR 7 0.059 -9.281 8.665 52 HD2 TYR 7 HD2 TYR 7 0.282 -11.761 12.116 53 HE1 TYR 7 HE1 TYR 7 0.957 -7.392 9.960 54 HE2 TYR 7 HE2 TYR 7 1.179 -9.881 13.418 55 HH TYR 7 HH TYR 7 1.077 -6.693 12.361 56 H THR 8 H THR 8 -1.085 -12.233 6.866 57 HA THR 8 HA THR 8 0.878 -11.782 4.793 58 HB THR 8 HB THR 8 -1.107 -11.727 3.293 59 HG1 THR 8 HG1 THR 8 -2.979 -12.707 4.867 60 HG21 THR 8 HG21 THR 8 0.036 -13.842 3.773 61 HG22 THR 8 HG22 THR 8 -1.698 -14.092 3.568 62 HG23 THR 8 HG23 THR 8 -0.994 -14.085 5.185 63 H VAL 9 H VAL 9 0.488 -9.985 3.202 64 HA VAL 9 HA VAL 9 0.628 -7.484 4.464 65 HB VAL 9 HB VAL 9 0.453 -6.495 2.188 66 HG11 VAL 9 HG11 VAL 9 2.607 -7.193 3.034 67 HG12 VAL 9 HG12 VAL 9 2.504 -7.536 1.307 68 HG13 VAL 9 HG13 VAL 9 2.319 -8.842 2.479 69 HG21 VAL 9 HG21 VAL 9 0.340 -7.965 0.240 70 HG22 VAL 9 HG22 VAL 9 -1.126 -8.094 1.213 71 HG23 VAL 9 HG23 VAL 9 0.100 -9.356 1.297 72 H ALA 10 H ALA 10 -2.097 -9.259 3.213 73 HA ALA 10 HA ALA 10 -4.000 -7.217 3.071 74 HB1 ALA 10 HB1 ALA 10 -5.672 -8.965 3.382 75 HB2 ALA 10 HB2 ALA 10 -4.420 -10.081 3.927 76 HB3 ALA 10 HB3 ALA 10 -4.415 -9.494 2.264 77 H GLN 11 H GLN 11 -2.974 -9.226 5.789 78 HA GLN 11 HA GLN 11 -4.725 -7.872 7.638 79 HB2 GLN 11 HB2 GLN 11 -2.847 -10.171 7.759 80 HB3 GLN 11 HB3 GLN 11 -3.166 -9.317 9.263 81 HG2 GLN 11 HG2 GLN 11 -4.615 -11.299 8.853 82 HG3 GLN 11 HG3 GLN 11 -5.486 -9.798 9.140 83 HE21 GLN 11 HE21 GLN 11 -4.645 -12.224 6.799 84 HE22 GLN 11 HE22 GLN 11 -5.813 -11.763 5.605 85 H LEU 12 H LEU 12 -1.363 -7.706 6.679 86 HA LEU 12 HA LEU 12 -0.385 -6.128 8.790 87 HB2 LEU 12 HB2 LEU 12 1.096 -7.149 7.148 88 HB3 LEU 12 HB3 LEU 12 0.413 -6.153 5.877 89 HG LEU 12 HG LEU 12 1.266 -4.137 7.129 90 HD11 LEU 12 HD11 LEU 12 3.043 -4.489 8.763 91 HD12 LEU 12 HD12 LEU 12 2.776 -6.231 8.683 92 HD13 LEU 12 HD13 LEU 12 1.515 -5.175 9.318 93 HD21 LEU 12 HD21 LEU 12 3.272 -6.155 6.143 94 HD22 LEU 12 HD22 LEU 12 3.583 -4.434 6.373 95 HD23 LEU 12 HD23 LEU 12 2.407 -4.965 5.169 96 H ALA 13 H ALA 13 -1.992 -5.274 5.764 97 HA ALA 13 HA ALA 13 -1.845 -2.474 6.066 98 HB1 ALA 13 HB1 ALA 13 -3.589 -2.380 4.373 99 HB2 ALA 13 HB2 ALA 13 -3.912 -4.101 4.589 100 HB3 ALA 13 HB3 ALA 13 -2.362 -3.569 3.939 101 H ASP 14 H ASP 14 -4.168 -4.873 7.180 102 HA ASP 14 HA ASP 14 -6.064 -3.021 8.222 103 HB2 ASP 14 HB2 ASP 14 -6.651 -5.364 7.747 104 HB3 ASP 14 HB3 ASP 14 -5.541 -5.900 9.002 105 H GLU 15 H GLU 15 -3.284 -4.716 9.535 106 HA GLU 15 HA GLU 15 -3.427 -3.941 12.203 107 HB2 GLU 15 HB2 GLU 15 -1.821 -5.581 11.369 108 HB3 GLU 15 HB3 GLU 15 -1.011 -4.341 10.424 109 HG2 GLU 15 HG2 GLU 15 0.228 -4.910 12.436 110 HG3 GLU 15 HG3 GLU 15 -0.292 -3.227 12.444 111 H TYR 16 H TYR 16 -1.722 -2.340 9.517 112 HA TYR 16 HA TYR 16 -0.954 -0.060 10.989 113 HB2 TYR 16 HB2 TYR 16 0.063 -0.781 8.830 114 HB3 TYR 16 HB3 TYR 16 -1.405 -0.271 8.004 115 HD1 TYR 16 HD1 TYR 16 1.357 0.987 10.146 116 HD2 TYR 16 HD2 TYR 16 -1.634 1.946 7.279 117 HE1 TYR 16 HE1 TYR 16 2.282 3.257 9.949 118 HE2 TYR 16 HE2 TYR 16 -0.714 4.214 7.071 119 HH TYR 16 HH TYR 16 0.632 5.779 8.352 120 H PHE 17 H PHE 17 -3.828 -0.857 9.153 121 HA PHE 17 HA PHE 17 -5.032 1.647 8.964 122 HB2 PHE 17 HB2 PHE 17 -5.924 -0.221 7.740 123 HB3 PHE 17 HB3 PHE 17 -6.221 -1.121 9.219 124 HD1 PHE 17 HD2 PHE 17 -7.369 1.670 7.122 125 HD2 PHE 17 HD1 PHE 17 -8.195 -0.766 10.510 126 HE1 PHE 17 HE2 PHE 17 -9.674 2.526 7.170 127 HE2 PHE 17 HE1 PHE 17 -10.502 0.085 10.564 128 HZ PHE 17 HZ PHE 17 -11.244 1.734 8.895 129 H GLU 18 H GLU 18 -5.394 -0.808 11.521 130 HA GLU 18 HA GLU 18 -7.336 0.655 12.961 131 HB2 GLU 18 HB2 GLU 18 -5.532 -1.635 13.686 132 HB3 GLU 18 HB3 GLU 18 -6.644 -0.930 14.850 133 HG2 GLU 18 HG2 GLU 18 -7.488 -2.043 12.191 134 HG3 GLU 18 HG3 GLU 18 -7.472 -2.969 13.692 135 H ARG 19 H ARG 19 -3.806 0.539 13.269 136 HA ARG 19 HA ARG 19 -3.838 1.911 15.786 137 HB2 ARG 19 HB2 ARG 19 -1.648 1.200 13.859 138 HB3 ARG 19 HB3 ARG 19 -1.335 2.242 15.239 139 HG2 ARG 19 HG2 ARG 19 -0.731 -0.017 15.787 140 HG3 ARG 19 HG3 ARG 19 -2.142 0.452 16.735 141 HD2 ARG 19 HD2 ARG 19 -2.793 -0.783 14.178 142 HD3 ARG 19 HD3 ARG 19 -1.892 -1.832 15.250 143 HE ARG 19 HE ARG 19 -4.253 -0.495 16.341 144 HH11 ARG 19 HH11 ARG 19 -2.703 -3.440 15.243 145 HH12 ARG 19 HH12 ARG 19 -4.028 -4.463 15.714 146 HH21 ARG 19 HH21 ARG 19 -6.012 -1.856 16.971 147 HH22 ARG 19 HH22 ARG 19 -5.901 -3.570 16.700 148 H MET 20 H MET 20 -3.583 2.873 12.452 149 HA MET 20 HA MET 20 -3.042 5.644 13.197 150 HB2 MET 20 HB2 MET 20 -3.362 4.298 10.517 151 HB3 MET 20 HB3 MET 20 -3.124 6.031 10.703 152 HG2 MET 20 HG2 MET 20 -1.219 3.886 11.618 153 HG3 MET 20 HG3 MET 20 -1.044 4.882 10.173 154 HE1 MET 20 HE1 MET 20 1.229 4.582 12.403 155 HE2 MET 20 HE2 MET 20 1.774 6.256 12.533 156 HE3 MET 20 HE3 MET 20 1.405 5.563 10.951 157 H ILE 21 H ILE 21 -5.705 3.655 12.319 158 HA ILE 21 HA ILE 21 -7.499 6.001 12.177 159 HB ILE 21 HB ILE 21 -7.684 3.410 10.633 160 HG12 ILE 21 HG12 ILE 21 -7.165 6.230 9.667 161 HG13 ILE 21 HG13 ILE 21 -5.932 4.987 9.849 162 HG21 ILE 21 HG21 ILE 21 -9.894 4.215 11.207 163 HG22 ILE 21 HG22 ILE 21 -9.589 4.449 9.485 164 HG23 ILE 21 HG23 ILE 21 -9.491 5.818 10.592 165 HD11 ILE 21 HD11 ILE 21 -7.038 3.636 8.158 166 HD12 ILE 21 HD12 ILE 21 -6.619 5.232 7.536 167 HD13 ILE 21 HD13 ILE 21 -8.286 4.870 7.984 168 H ALA 22 H ALA 22 -7.613 5.608 14.520 169 HA ALA 22 HA ALA 22 -9.723 3.649 15.121 170 HB1 ALA 22 HB1 ALA 22 -8.681 3.084 17.236 171 HB2 ALA 22 HB2 ALA 22 -7.341 4.175 16.889 172 HB3 ALA 22 HB3 ALA 22 -7.585 2.735 15.899 173 H GLY 23 H GLY 23 -8.270 6.758 15.730 174 HA2 GLY 23 HA2 GLY 23 -10.072 7.323 17.950 175 HA3 GLY 23 HA3 GLY 23 -8.789 8.364 17.354 176 H ARG 24 H ARG 24 -9.177 9.618 15.447 177 HA ARG 24 HA ARG 24 -12.030 10.051 14.894 178 HB2 ARG 24 HB2 ARG 24 -11.139 11.718 16.545 179 HB3 ARG 24 HB3 ARG 24 -9.986 12.244 15.332 180 HG2 ARG 24 HG2 ARG 24 -12.917 12.316 14.737 181 HG3 ARG 24 HG3 ARG 24 -12.175 13.585 15.713 182 HD2 ARG 24 HD2 ARG 24 -10.540 13.949 13.878 183 HD3 ARG 24 HD3 ARG 24 -11.434 12.785 12.902 184 HE ARG 24 HE ARG 24 -12.991 14.999 13.934 185 HH11 ARG 24 HH11 ARG 24 -11.084 13.751 11.286 186 HH12 ARG 24 HH12 ARG 24 -11.776 14.817 10.109 187 HH21 ARG 24 HH21 ARG 24 -13.877 16.455 12.393 188 HH22 ARG 24 HH22 ARG 24 -13.338 16.375 10.740 189 H TRP 25 H TRP 25 -11.990 9.138 12.913 190 HA TRP 25 HA TRP 25 -10.230 10.402 10.923 191 HB2 TRP 25 HB2 TRP 25 -10.179 8.309 9.683 192 HB3 TRP 25 HB3 TRP 25 -9.646 8.019 11.326 193 HD1 TRP 25 HD1 TRP 25 -12.011 6.813 8.799 194 HE1 TRP 25 HE1 TRP 25 -13.609 5.062 9.787 195 HE3 TRP 25 HE3 TRP 25 -10.976 7.474 13.753 196 HZ2 TRP 25 HZ2 TRP 25 -14.328 4.075 12.317 197 HZ3 TRP 25 HZ3 TRP 25 -12.163 6.077 15.393 198 HH2 TRP 25 HH2 TRP 25 -13.803 4.414 14.690 199 H LYS 26 H LYS 26 -13.347 8.848 11.477 200 HA LYS 26 HA LYS 26 -15.428 9.202 10.702 201 HB2 LYS 26 HB2 LYS 26 -14.695 11.653 10.975 202 HB3 LYS 26 HB3 LYS 26 -14.487 11.649 9.230 203 HG2 LYS 26 HG2 LYS 26 -16.653 12.552 9.868 204 HG3 LYS 26 HG3 LYS 26 -16.829 11.065 8.933 205 HD2 LYS 26 HD2 LYS 26 -17.189 9.800 10.985 206 HD3 LYS 26 HD3 LYS 26 -16.962 11.262 11.943 207 HE2 LYS 26 HE2 LYS 26 -19.140 10.847 9.900 208 HE3 LYS 26 HE3 LYS 26 -19.336 10.661 11.641 209 HZ1 LYS 26 HZ1 LYS 26 -18.603 13.166 10.222 210 HZ2 LYS 26 HZ2 LYS 26 -18.721 12.997 11.906 211 HZ3 LYS 26 HZ3 LYS 26 -20.102 12.818 10.935 212 H HIS 27 H HIS 27 -16.308 7.983 9.229 213 HA HIS 27 HA HIS 27 -16.776 6.899 7.293 214 HB2 HIS 27 HB2 HIS 27 -15.104 9.061 5.993 215 HB3 HIS 27 HB3 HIS 27 -16.002 7.836 5.108 216 HD1 HIS 27 HD1 HIS 27 -18.472 8.244 4.727 217 HD2 HIS 27 HD2 HIS 27 -16.748 10.979 7.348 218 HE1 HIS 27 HE1 HIS 27 -20.192 10.050 5.058 219 HE2 HIS 27 HE2 HIS 27 -19.207 11.568 6.811 220 HA PRO 28 HA PRO 28 -12.709 4.755 7.812 221 HB2 PRO 28 HB2 PRO 28 -13.798 2.287 8.234 222 HB3 PRO 28 HB3 PRO 28 -13.560 3.472 9.522 223 HG2 PRO 28 HG2 PRO 28 -16.048 2.810 7.992 224 HG3 PRO 28 HG3 PRO 28 -15.849 3.110 9.729 225 HD2 PRO 28 HD2 PRO 28 -16.804 4.984 8.031 226 HD3 PRO 28 HD3 PRO 28 -15.835 5.402 9.457 227 H ASN 29 H ASN 29 -15.574 3.807 5.953 228 HA ASN 29 HA ASN 29 -14.290 1.821 4.397 229 HB2 ASN 29 HB2 ASN 29 -16.293 1.818 3.024 230 HB3 ASN 29 HB3 ASN 29 -16.735 1.887 4.724 231 HD21 ASN 29 HD21 ASN 29 -18.225 2.653 2.334 232 HD22 ASN 29 HD22 ASN 29 -18.653 4.322 2.546 233 H ILE 30 H ILE 30 -14.575 5.273 4.062 234 HA ILE 30 HA ILE 30 -14.026 5.522 1.322 235 HB ILE 30 HB ILE 30 -13.255 7.416 3.548 236 HG12 ILE 30 HG12 ILE 30 -15.642 6.981 3.560 237 HG13 ILE 30 HG13 ILE 30 -15.344 8.599 2.939 238 HG21 ILE 30 HG21 ILE 30 -12.034 7.896 1.505 239 HG22 ILE 30 HG22 ILE 30 -13.247 9.141 1.802 240 HG23 ILE 30 HG23 ILE 30 -13.539 7.898 0.586 241 HD11 ILE 30 HD11 ILE 30 -15.937 6.166 1.275 242 HD12 ILE 30 HD12 ILE 30 -15.683 7.804 0.671 243 HD13 ILE 30 HD13 ILE 30 -17.081 7.443 1.685 244 H VAL 31 H VAL 31 -11.818 5.646 4.113 245 HA VAL 31 HA VAL 31 -9.496 5.699 2.436 246 HB VAL 31 HB VAL 31 -9.493 6.778 4.650 247 HG11 VAL 31 HG11 VAL 31 -9.350 5.460 6.691 248 HG12 VAL 31 HG12 VAL 31 -9.600 3.982 5.761 249 HG13 VAL 31 HG13 VAL 31 -10.883 5.187 5.862 250 HG21 VAL 31 HG21 VAL 31 -7.495 4.538 4.377 251 HG22 VAL 31 HG22 VAL 31 -7.310 5.948 5.418 252 HG23 VAL 31 HG23 VAL 31 -7.369 6.146 3.665 253 H ARG 32 H ARG 32 -11.375 3.242 4.071 254 HA ARG 32 HA ARG 32 -9.458 1.169 3.931 255 HB2 ARG 32 HB2 ARG 32 -11.539 1.151 5.354 256 HB3 ARG 32 HB3 ARG 32 -12.458 0.817 3.890 257 HG2 ARG 32 HG2 ARG 32 -12.043 -1.241 5.062 258 HG3 ARG 32 HG3 ARG 32 -11.118 -1.234 3.558 259 HD2 ARG 32 HD2 ARG 32 -9.217 -0.259 5.029 260 HD3 ARG 32 HD3 ARG 32 -10.155 -0.906 6.374 261 HE ARG 32 HE ARG 32 -9.199 -2.587 4.148 262 HH11 ARG 32 HH11 ARG 32 -9.773 -2.057 7.561 263 HH12 ARG 32 HH12 ARG 32 -9.007 -3.542 8.052 264 HH21 ARG 32 HH21 ARG 32 -8.223 -4.526 4.756 265 HH22 ARG 32 HH22 ARG 32 -8.186 -4.987 6.440 266 H SER 33 H SER 33 -11.679 2.511 1.617 267 HA SER 33 HA SER 33 -11.726 0.443 -0.264 268 HB2 SER 33 HB2 SER 33 -11.829 3.435 -0.698 269 HB3 SER 33 HB3 SER 33 -12.222 2.228 -1.923 270 HG SER 33 HG SER 33 -13.527 2.482 0.597 271 H ARG 34 H ARG 34 -9.336 2.948 0.376 272 HA ARG 34 HA ARG 34 -7.686 2.404 -1.869 273 HB2 ARG 34 HB2 ARG 34 -7.262 3.778 0.761 274 HB3 ARG 34 HB3 ARG 34 -5.873 3.383 -0.237 275 HG2 ARG 34 HG2 ARG 34 -6.432 5.615 -0.717 276 HG3 ARG 34 HG3 ARG 34 -6.977 4.662 -2.095 277 HD2 ARG 34 HD2 ARG 34 -9.254 4.786 -1.359 278 HD3 ARG 34 HD3 ARG 34 -8.771 5.526 0.168 279 HE ARG 34 HE ARG 34 -7.807 7.196 -1.798 280 HH11 ARG 34 HH11 ARG 34 -10.967 6.027 -0.808 281 HH12 ARG 34 HH12 ARG 34 -11.808 7.432 -1.388 282 HH21 ARG 34 HH21 ARG 34 -8.905 9.066 -2.504 283 HH22 ARG 34 HH22 ARG 34 -10.633 9.176 -2.328 284 H ILE 35 H ILE 35 -7.895 1.127 1.388 285 HA ILE 35 HA ILE 35 -5.427 -0.278 1.280 286 HB ILE 35 HB ILE 35 -7.755 -0.525 3.181 287 HG12 ILE 35 HG12 ILE 35 -5.080 0.879 3.386 288 HG13 ILE 35 HG13 ILE 35 -6.647 1.658 3.197 289 HG21 ILE 35 HG21 ILE 35 -4.979 -1.691 3.398 290 HG22 ILE 35 HG22 ILE 35 -6.474 -2.596 3.164 291 HG23 ILE 35 HG23 ILE 35 -6.206 -1.712 4.667 292 HD11 ILE 35 HD11 ILE 35 -5.814 1.764 5.492 293 HD12 ILE 35 HD12 ILE 35 -5.809 0.001 5.560 294 HD13 ILE 35 HD13 ILE 35 -7.331 0.871 5.373 295 H GLU 36 H GLU 36 -8.782 -1.186 0.634 296 HA GLU 36 HA GLU 36 -7.976 -3.962 0.331 297 HB2 GLU 36 HB2 GLU 36 -10.684 -2.657 0.103 298 HB3 GLU 36 HB3 GLU 36 -10.392 -4.381 -0.091 299 HG2 GLU 36 HG2 GLU 36 -9.993 -2.724 2.384 300 HG3 GLU 36 HG3 GLU 36 -11.176 -4.003 2.121 301 H LYS 37 H LYS 37 -8.294 -1.239 -1.701 302 HA LYS 37 HA LYS 37 -8.586 -2.971 -4.054 303 HB2 LYS 37 HB2 LYS 37 -10.166 -1.010 -3.700 304 HB3 LYS 37 HB3 LYS 37 -8.790 0.037 -4.005 305 HG2 LYS 37 HG2 LYS 37 -9.732 -2.042 -5.960 306 HG3 LYS 37 HG3 LYS 37 -10.324 -0.382 -5.951 307 HD2 LYS 37 HD2 LYS 37 -7.424 -0.523 -5.896 308 HD3 LYS 37 HD3 LYS 37 -8.110 -1.336 -7.299 309 HE2 LYS 37 HE2 LYS 37 -7.711 0.923 -7.912 310 HE3 LYS 37 HE3 LYS 37 -9.451 0.728 -7.734 311 HZ1 LYS 37 HZ1 LYS 37 -9.106 1.630 -5.405 312 HZ2 LYS 37 HZ2 LYS 37 -8.946 2.729 -6.681 313 HZ3 LYS 37 HZ3 LYS 37 -7.560 2.110 -5.916 314 H ASP 38 H ASP 38 -6.762 -0.099 -3.001 315 HA ASP 38 HA ASP 38 -4.924 -0.385 -5.199 316 HB2 ASP 38 HB2 ASP 38 -4.807 1.530 -2.861 317 HB3 ASP 38 HB3 ASP 38 -3.949 1.682 -4.393 318 H ILE 39 H ILE 39 -4.854 -0.854 -1.707 319 HA ILE 39 HA ILE 39 -2.082 -1.573 -1.655 320 HB ILE 39 HB ILE 39 -4.194 -2.251 0.400 321 HG12 ILE 39 HG12 ILE 39 -4.192 0.152 0.009 322 HG13 ILE 39 HG13 ILE 39 -3.462 -0.202 1.571 323 HG21 ILE 39 HG21 ILE 39 -2.129 -3.510 0.670 324 HG22 ILE 39 HG22 ILE 39 -2.313 -2.330 1.966 325 HG23 ILE 39 HG23 ILE 39 -1.196 -2.013 0.639 326 HD11 ILE 39 HD11 ILE 39 -1.247 0.099 0.598 327 HD12 ILE 39 HD12 ILE 39 -2.250 1.537 0.405 328 HD13 ILE 39 HD13 ILE 39 -1.985 0.457 -0.964 329 H LYS 40 H LYS 40 -4.944 -3.159 -2.587 330 HA LYS 40 HA LYS 40 -3.557 -5.761 -2.538 331 HB2 LYS 40 HB2 LYS 40 -6.553 -5.470 -2.619 332 HB3 LYS 40 HB3 LYS 40 -5.604 -6.886 -2.196 333 HG2 LYS 40 HG2 LYS 40 -5.774 -4.374 -0.546 334 HG3 LYS 40 HG3 LYS 40 -6.715 -5.839 -0.266 335 HD2 LYS 40 HD2 LYS 40 -4.775 -7.087 0.272 336 HD3 LYS 40 HD3 LYS 40 -3.707 -5.815 -0.325 337 HE2 LYS 40 HE2 LYS 40 -3.799 -5.876 2.127 338 HE3 LYS 40 HE3 LYS 40 -4.388 -4.351 1.480 339 HZ1 LYS 40 HZ1 LYS 40 -5.712 -5.508 3.335 340 HZ2 LYS 40 HZ2 LYS 40 -6.283 -6.527 2.107 341 HZ3 LYS 40 HZ3 LYS 40 -6.561 -4.858 2.025 342 HA PRO 41 HA PRO 41 -4.295 -4.537 -7.004 343 HB2 PRO 41 HB2 PRO 41 -1.912 -5.564 -7.879 344 HB3 PRO 41 HB3 PRO 41 -2.118 -3.896 -7.337 345 HG2 PRO 41 HG2 PRO 41 -1.038 -6.253 -5.842 346 HG3 PRO 41 HG3 PRO 41 -0.443 -4.583 -5.881 347 HD2 PRO 41 HD2 PRO 41 -1.901 -5.520 -3.825 348 HD3 PRO 41 HD3 PRO 41 -2.049 -3.841 -4.387 349 H ALA 42 H ALA 42 -3.072 -7.397 -5.451 350 HA ALA 42 HA ALA 42 -4.859 -9.207 -6.594 351 HB1 ALA 42 HB1 ALA 42 -3.618 -8.813 -8.676 352 HB2 ALA 42 HB2 ALA 42 -3.395 -10.466 -8.101 353 HB3 ALA 42 HB3 ALA 42 -2.119 -9.272 -7.866 354 H ILE 43 H ILE 43 -1.802 -8.501 -5.142 355 HA ILE 43 HA ILE 43 -0.986 -10.951 -4.194 356 HB ILE 43 HB ILE 43 0.084 -9.634 -2.307 357 HG12 ILE 43 HG12 ILE 43 -1.047 -7.280 -3.840 358 HG13 ILE 43 HG13 ILE 43 -1.648 -7.823 -2.278 359 HG21 ILE 43 HG21 ILE 43 1.663 -8.516 -3.824 360 HG22 ILE 43 HG22 ILE 43 0.515 -8.715 -5.149 361 HG23 ILE 43 HG23 ILE 43 1.240 -10.133 -4.388 362 HD11 ILE 43 HD11 ILE 43 1.129 -6.802 -2.844 363 HD12 ILE 43 HD12 ILE 43 0.521 -7.332 -1.274 364 HD13 ILE 43 HD13 ILE 43 -0.168 -5.907 -2.052 365 H GLY 44 H GLY 44 -2.972 -8.582 -2.379 366 HA2 GLY 44 HA2 GLY 44 -4.449 -8.860 -0.646 367 HA3 GLY 44 HA3 GLY 44 -4.878 -10.358 -1.453 368 H SER 45 H SER 45 -4.515 -12.194 -0.393 369 HA SER 45 HA SER 45 -3.158 -12.121 2.146 370 HB2 SER 45 HB2 SER 45 -4.264 -14.543 0.718 371 HB3 SER 45 HB3 SER 45 -3.980 -14.346 2.449 372 HG SER 45 HG SER 45 -5.652 -12.840 2.526 373 H LEU 46 H LEU 46 -1.092 -11.506 1.187 374 HA LEU 46 HA LEU 46 0.456 -13.881 0.397 375 HB2 LEU 46 HB2 LEU 46 0.035 -12.392 -1.561 376 HB3 LEU 46 HB3 LEU 46 0.822 -11.085 -0.700 377 HG LEU 46 HG LEU 46 2.900 -12.541 -0.640 378 HD11 LEU 46 HD11 LEU 46 1.824 -14.673 -1.104 379 HD12 LEU 46 HD12 LEU 46 3.049 -14.304 -2.318 380 HD13 LEU 46 HD13 LEU 46 1.339 -14.093 -2.697 381 HD21 LEU 46 HD21 LEU 46 2.697 -10.649 -2.135 382 HD22 LEU 46 HD22 LEU 46 1.819 -11.634 -3.302 383 HD23 LEU 46 HD23 LEU 46 3.514 -11.982 -2.954 384 H LYS 47 H LYS 47 2.578 -13.944 1.251 385 HA LYS 47 HA LYS 47 2.957 -12.790 3.751 386 HB2 LYS 47 HB2 LYS 47 4.852 -14.104 1.828 387 HB3 LYS 47 HB3 LYS 47 5.413 -13.460 3.367 388 HG2 LYS 47 HG2 LYS 47 3.298 -15.565 2.987 389 HG3 LYS 47 HG3 LYS 47 4.951 -15.828 3.555 390 HD2 LYS 47 HD2 LYS 47 4.541 -14.559 5.539 391 HD3 LYS 47 HD3 LYS 47 2.966 -14.033 4.939 392 HE2 LYS 47 HE2 LYS 47 2.608 -15.764 6.535 393 HE3 LYS 47 HE3 LYS 47 2.250 -16.406 4.939 394 HZ1 LYS 47 HZ1 LYS 47 4.463 -17.434 4.917 395 HZ2 LYS 47 HZ2 LYS 47 3.525 -18.000 6.210 396 HZ3 LYS 47 HZ3 LYS 47 4.751 -16.859 6.486 397 H VAL 48 H VAL 48 4.259 -11.208 4.537 398 HA VAL 48 HA VAL 48 4.291 -8.807 3.018 399 HB VAL 48 HB VAL 48 5.671 -9.351 5.654 400 HG11 VAL 48 HG11 VAL 48 5.431 -6.951 6.025 401 HG12 VAL 48 HG12 VAL 48 4.688 -6.772 4.437 402 HG13 VAL 48 HG13 VAL 48 6.374 -7.273 4.569 403 HG21 VAL 48 HG21 VAL 48 3.616 -8.460 6.694 404 HG22 VAL 48 HG22 VAL 48 3.343 -9.977 5.837 405 HG23 VAL 48 HG23 VAL 48 2.845 -8.450 5.108 406 H GLU 49 H GLU 49 6.579 -11.320 3.587 407 HA GLU 49 HA GLU 49 8.942 -9.819 3.030 408 HB2 GLU 49 HB2 GLU 49 8.889 -11.891 4.380 409 HB3 GLU 49 HB3 GLU 49 8.457 -12.803 2.944 410 HG2 GLU 49 HG2 GLU 49 10.593 -12.235 1.930 411 HG3 GLU 49 HG3 GLU 49 11.025 -11.292 3.357 412 H ASP 50 H ASP 50 6.475 -11.111 1.052 413 HA ASP 50 HA ASP 50 8.246 -11.624 -1.214 414 HB2 ASP 50 HB2 ASP 50 6.406 -13.220 -0.579 415 HB3 ASP 50 HB3 ASP 50 5.248 -11.991 -1.076 416 H VAL 51 H VAL 51 6.695 -8.945 -0.012 417 HA VAL 51 HA VAL 51 5.554 -8.000 -2.463 418 HB VAL 51 HB VAL 51 4.559 -7.273 -0.381 419 HG11 VAL 51 HG11 VAL 51 7.129 -5.799 0.156 420 HG12 VAL 51 HG12 VAL 51 6.511 -7.187 1.053 421 HG13 VAL 51 HG13 VAL 51 5.639 -5.655 1.091 422 HG21 VAL 51 HG21 VAL 51 4.320 -5.851 -2.336 423 HG22 VAL 51 HG22 VAL 51 5.790 -4.982 -1.902 424 HG23 VAL 51 HG23 VAL 51 4.369 -4.886 -0.861 425 H LYS 52 H LYS 52 7.231 -8.179 -3.902 426 HA LYS 52 HA LYS 52 9.609 -6.659 -3.836 427 HB2 LYS 52 HB2 LYS 52 7.988 -7.498 -6.244 428 HB3 LYS 52 HB3 LYS 52 9.685 -7.050 -6.240 429 HG2 LYS 52 HG2 LYS 52 8.611 -9.407 -4.718 430 HG3 LYS 52 HG3 LYS 52 9.186 -9.508 -6.383 431 HD2 LYS 52 HD2 LYS 52 11.370 -8.658 -5.659 432 HD3 LYS 52 HD3 LYS 52 10.788 -8.616 -3.993 433 HE2 LYS 52 HE2 LYS 52 10.484 -11.007 -3.993 434 HE3 LYS 52 HE3 LYS 52 10.899 -11.094 -5.704 435 HZ1 LYS 52 HZ1 LYS 52 12.717 -10.287 -3.497 436 HZ2 LYS 52 HZ2 LYS 52 13.119 -10.273 -5.145 437 HZ3 LYS 52 HZ3 LYS 52 12.773 -11.741 -4.373 438 HA PRO 53 HA PRO 53 8.313 -2.471 -4.620 439 HB2 PRO 53 HB2 PRO 53 10.393 -2.498 -6.757 440 HB3 PRO 53 HB3 PRO 53 10.156 -1.354 -5.429 441 HG2 PRO 53 HG2 PRO 53 12.104 -3.154 -5.312 442 HG3 PRO 53 HG3 PRO 53 11.155 -2.759 -3.867 443 HD2 PRO 53 HD2 PRO 53 10.991 -5.153 -5.650 444 HD3 PRO 53 HD3 PRO 53 10.820 -5.047 -3.886 445 H ARG 54 H ARG 54 8.787 -4.672 -7.353 446 HA ARG 54 HA ARG 54 7.398 -3.129 -9.260 447 HB2 ARG 54 HB2 ARG 54 7.228 -5.174 -10.589 448 HB3 ARG 54 HB3 ARG 54 8.850 -4.941 -9.956 449 HG2 ARG 54 HG2 ARG 54 8.698 -6.732 -8.527 450 HG3 ARG 54 HG3 ARG 54 6.936 -6.659 -8.454 451 HD2 ARG 54 HD2 ARG 54 7.883 -8.594 -9.751 452 HD3 ARG 54 HD3 ARG 54 6.717 -7.597 -10.620 453 HE ARG 54 HE ARG 54 9.593 -7.101 -10.973 454 HH11 ARG 54 HH11 ARG 54 6.518 -8.145 -12.279 455 HH12 ARG 54 HH12 ARG 54 7.041 -8.078 -13.931 456 HH21 ARG 54 HH21 ARG 54 10.313 -7.044 -13.153 457 HH22 ARG 54 HH22 ARG 54 9.207 -7.475 -14.431 458 H HIS 55 H HIS 55 6.207 -5.056 -6.637 459 HA HIS 55 HA HIS 55 3.602 -5.526 -7.735 460 HB2 HIS 55 HB2 HIS 55 4.551 -5.450 -4.863 461 HB3 HIS 55 HB3 HIS 55 2.912 -5.873 -5.336 462 HD1 HIS 55 HD1 HIS 55 3.510 -7.777 -7.680 463 HD2 HIS 55 HD2 HIS 55 5.503 -7.844 -4.029 464 HE1 HIS 55 HE1 HIS 55 4.511 -10.081 -7.480 465 HE2 HIS 55 HE2 HIS 55 5.777 -10.076 -5.310 466 H ILE 56 H ILE 56 5.085 -3.027 -5.792 467 HA ILE 56 HA ILE 56 2.752 -1.445 -5.427 468 HB ILE 56 HB ILE 56 5.681 -0.690 -5.350 469 HG12 ILE 56 HG12 ILE 56 5.079 -2.362 -3.672 470 HG13 ILE 56 HG13 ILE 56 5.414 -0.813 -2.905 471 HG21 ILE 56 HG21 ILE 56 4.313 1.273 -5.750 472 HG22 ILE 56 HG22 ILE 56 4.979 1.302 -4.118 473 HG23 ILE 56 HG23 ILE 56 3.290 0.863 -4.372 474 HD11 ILE 56 HD11 ILE 56 3.486 -1.914 -1.912 475 HD12 ILE 56 HD12 ILE 56 2.681 -1.931 -3.481 476 HD13 ILE 56 HD13 ILE 56 3.029 -0.396 -2.684 477 H ASP 57 H ASP 57 5.428 -1.438 -7.710 478 HA ASP 57 HA ASP 57 4.729 0.804 -9.230 479 HB2 ASP 57 HB2 ASP 57 6.907 -0.164 -9.461 480 HB3 ASP 57 HB3 ASP 57 6.234 -1.725 -9.910 481 H ASP 58 H ASP 58 3.774 -2.568 -9.461 482 HA ASP 58 HA ASP 58 2.460 -2.428 -11.953 483 HB2 ASP 58 HB2 ASP 58 3.149 -4.557 -11.025 484 HB3 ASP 58 HB3 ASP 58 2.095 -4.335 -9.633 485 H VAL 59 H VAL 59 1.129 -2.281 -8.630 486 HA VAL 59 HA VAL 59 -1.537 -1.969 -9.543 487 HB VAL 59 HB VAL 59 -1.071 -2.807 -7.292 488 HG11 VAL 59 HG11 VAL 59 0.851 -1.465 -6.695 489 HG12 VAL 59 HG12 VAL 59 -0.421 -1.269 -5.488 490 HG13 VAL 59 HG13 VAL 59 -0.140 -0.006 -6.686 491 HG21 VAL 59 HG21 VAL 59 -2.665 -0.252 -7.358 492 HG22 VAL 59 HG22 VAL 59 -2.757 -1.471 -6.087 493 HG23 VAL 59 HG23 VAL 59 -3.249 -1.873 -7.731 494 H LEU 60 H LEU 60 0.984 0.342 -8.645 495 HA LEU 60 HA LEU 60 -0.710 2.609 -8.668 496 HB2 LEU 60 HB2 LEU 60 2.272 2.393 -9.067 497 HB3 LEU 60 HB3 LEU 60 1.409 3.910 -8.904 498 HG LEU 60 HG LEU 60 1.646 1.751 -6.811 499 HD11 LEU 60 HD11 LEU 60 2.744 4.551 -6.947 500 HD12 LEU 60 HD12 LEU 60 3.667 3.055 -7.088 501 HD13 LEU 60 HD13 LEU 60 2.873 3.462 -5.567 502 HD21 LEU 60 HD21 LEU 60 0.196 4.394 -6.690 503 HD22 LEU 60 HD22 LEU 60 0.442 3.287 -5.340 504 HD23 LEU 60 HD23 LEU 60 -0.554 2.795 -6.707 505 H LYS 61 H LYS 61 1.372 1.192 -11.206 506 HA LYS 61 HA LYS 61 0.822 3.215 -13.088 507 HB2 LYS 61 HB2 LYS 61 1.649 1.661 -14.795 508 HB3 LYS 61 HB3 LYS 61 2.710 1.733 -13.405 509 HG2 LYS 61 HG2 LYS 61 2.705 -0.501 -13.824 510 HG3 LYS 61 HG3 LYS 61 1.375 -0.398 -12.672 511 HD2 LYS 61 HD2 LYS 61 -0.245 -0.501 -14.418 512 HD3 LYS 61 HD3 LYS 61 0.997 -0.319 -15.659 513 HE2 LYS 61 HE2 LYS 61 1.965 -2.473 -14.976 514 HE3 LYS 61 HE3 LYS 61 0.682 -2.655 -13.780 515 HZ1 LYS 61 HZ1 LYS 61 0.335 -3.847 -15.936 516 HZ2 LYS 61 HZ2 LYS 61 0.141 -2.331 -16.676 517 HZ3 LYS 61 HZ3 LYS 61 -0.932 -2.829 -15.464 518 H ALA 62 H ALA 62 -0.942 0.363 -12.139 519 HA ALA 62 HA ALA 62 -2.845 0.435 -14.258 520 HB1 ALA 62 HB1 ALA 62 -4.136 -1.110 -12.889 521 HB2 ALA 62 HB2 ALA 62 -3.102 -0.769 -11.502 522 HB3 ALA 62 HB3 ALA 62 -2.439 -1.581 -12.921 523 H VAL 63 H VAL 63 -2.834 1.701 -10.922 524 HA VAL 63 HA VAL 63 -5.483 2.752 -11.142 525 HB VAL 63 HB VAL 63 -5.089 3.849 -8.999 526 HG11 VAL 63 HG11 VAL 63 -5.755 1.514 -9.020 527 HG12 VAL 63 HG12 VAL 63 -4.691 1.849 -7.653 528 HG13 VAL 63 HG13 VAL 63 -4.064 1.020 -9.077 529 HG21 VAL 63 HG21 VAL 63 -2.260 2.855 -9.261 530 HG22 VAL 63 HG22 VAL 63 -2.966 3.564 -7.809 531 HG23 VAL 63 HG23 VAL 63 -2.785 4.538 -9.267 532 H MET 64 H MET 64 -2.358 3.935 -12.009 533 HA MET 64 HA MET 64 -2.926 6.697 -12.094 534 HB2 MET 64 HB2 MET 64 -1.038 4.991 -13.715 535 HB3 MET 64 HB3 MET 64 -1.147 6.732 -13.916 536 HG2 MET 64 HG2 MET 64 -0.459 7.076 -11.627 537 HG3 MET 64 HG3 MET 64 -0.448 5.337 -11.342 538 HE1 MET 64 HE1 MET 64 2.038 5.452 -10.399 539 HE2 MET 64 HE2 MET 64 2.024 7.200 -10.637 540 HE3 MET 64 HE3 MET 64 3.366 6.237 -11.254 541 H LYS 65 H LYS 65 -3.657 4.063 -14.280 542 HA LYS 65 HA LYS 65 -4.515 5.824 -16.385 543 HB2 LYS 65 HB2 LYS 65 -3.350 3.694 -16.845 544 HB3 LYS 65 HB3 LYS 65 -4.671 2.813 -16.099 545 HG2 LYS 65 HG2 LYS 65 -5.101 4.590 -18.473 546 HG3 LYS 65 HG3 LYS 65 -4.588 2.910 -18.640 547 HD2 LYS 65 HD2 LYS 65 -7.038 3.766 -17.113 548 HD3 LYS 65 HD3 LYS 65 -7.055 3.306 -18.807 549 HE2 LYS 65 HE2 LYS 65 -5.955 1.519 -16.666 550 HE3 LYS 65 HE3 LYS 65 -7.662 1.512 -17.106 551 HZ1 LYS 65 HZ1 LYS 65 -6.936 1.036 -19.423 552 HZ2 LYS 65 HZ2 LYS 65 -6.580 -0.198 -18.316 553 HZ3 LYS 65 HZ3 LYS 65 -5.354 0.841 -18.849 554 H ARG 66 H ARG 66 -6.021 3.448 -14.192 555 HA ARG 66 HA ARG 66 -8.632 3.914 -15.254 556 HB2 ARG 66 HB2 ARG 66 -9.422 2.379 -13.562 557 HB3 ARG 66 HB3 ARG 66 -7.962 1.745 -14.307 558 HG2 ARG 66 HG2 ARG 66 -6.656 2.479 -12.381 559 HG3 ARG 66 HG3 ARG 66 -8.119 3.128 -11.638 560 HD2 ARG 66 HD2 ARG 66 -7.646 0.975 -10.686 561 HD3 ARG 66 HD3 ARG 66 -9.098 0.860 -11.679 562 HE ARG 66 HE ARG 66 -6.605 0.124 -12.977 563 HH11 ARG 66 HH11 ARG 66 -9.552 -0.909 -11.408 564 HH12 ARG 66 HH12 ARG 66 -9.365 -2.578 -11.859 565 HH21 ARG 66 HH21 ARG 66 -6.374 -2.051 -13.627 566 HH22 ARG 66 HH22 ARG 66 -7.552 -3.229 -13.117 567 H GLY 67 H GLY 67 -6.817 5.273 -12.622 568 HA2 GLY 67 HA2 GLY 67 -9.233 6.766 -11.808 569 HA3 GLY 67 HA3 GLY 67 -7.950 6.316 -10.692 570 H ALA 68 H ALA 68 -5.842 7.263 -11.017 571 HA ALA 68 HA ALA 68 -5.311 9.369 -12.806 572 HB1 ALA 68 HB1 ALA 68 -5.388 11.291 -11.301 573 HB2 ALA 68 HB2 ALA 68 -6.056 10.278 -10.021 574 HB3 ALA 68 HB3 ALA 68 -6.994 10.583 -11.482 575 HA PRO 69 HA PRO 69 -1.257 8.384 -11.210 576 HB2 PRO 69 HB2 PRO 69 0.015 10.709 -11.951 577 HB3 PRO 69 HB3 PRO 69 -0.277 9.347 -13.036 578 HG2 PRO 69 HG2 PRO 69 -1.810 11.895 -12.737 579 HG3 PRO 69 HG3 PRO 69 -1.382 11.009 -14.213 580 HD2 PRO 69 HD2 PRO 69 -3.850 10.881 -13.145 581 HD3 PRO 69 HD3 PRO 69 -3.100 9.481 -13.943 582 H SER 70 H SER 70 -2.886 11.405 -10.531 583 HA SER 70 HA SER 70 -1.327 12.388 -8.441 584 HB2 SER 70 HB2 SER 70 -4.326 12.625 -8.464 585 HB3 SER 70 HB3 SER 70 -3.121 13.839 -8.031 586 HG SER 70 HG SER 70 -2.740 14.251 -10.120 587 H ILE 71 H ILE 71 -3.911 9.991 -8.482 588 HA ILE 71 HA ILE 71 -4.182 9.693 -5.680 589 HB ILE 71 HB ILE 71 -4.751 7.658 -7.851 590 HG12 ILE 71 HG12 ILE 71 -6.604 9.666 -6.542 591 HG13 ILE 71 HG13 ILE 71 -5.951 9.804 -8.172 592 HG21 ILE 71 HG21 ILE 71 -6.284 6.660 -6.221 593 HG22 ILE 71 HG22 ILE 71 -5.771 7.842 -5.016 594 HG23 ILE 71 HG23 ILE 71 -4.621 6.655 -5.632 595 HD11 ILE 71 HD11 ILE 71 -8.246 8.994 -8.183 596 HD12 ILE 71 HD12 ILE 71 -7.771 7.618 -7.189 597 HD13 ILE 71 HD13 ILE 71 -7.138 7.783 -8.827 598 H ALA 72 H ALA 72 -2.174 8.134 -8.110 599 HA ALA 72 HA ALA 72 -1.082 6.126 -6.467 600 HB1 ALA 72 HB1 ALA 72 0.640 5.912 -8.178 601 HB2 ALA 72 HB2 ALA 72 0.132 7.441 -8.895 602 HB3 ALA 72 HB3 ALA 72 -0.959 6.055 -8.906 603 H ASN 73 H ASN 73 0.026 9.404 -7.260 604 HA ASN 73 HA ASN 73 2.424 9.322 -5.799 605 HB2 ASN 73 HB2 ASN 73 2.147 11.075 -7.378 606 HB3 ASN 73 HB3 ASN 73 0.624 11.587 -6.659 607 HD21 ASN 73 HD21 ASN 73 0.634 12.932 -4.908 608 HD22 ASN 73 HD22 ASN 73 2.066 13.687 -4.314 609 H ASP 74 H ASP 74 -0.855 10.251 -4.893 610 HA ASP 74 HA ASP 74 -0.273 11.139 -2.280 611 HB2 ASP 74 HB2 ASP 74 -2.381 11.702 -3.326 612 HB3 ASP 74 HB3 ASP 74 -2.817 10.000 -3.458 613 H THR 75 H THR 75 -1.164 7.982 -3.566 614 HA THR 75 HA THR 75 -1.388 6.725 -1.022 615 HB THR 75 HB THR 75 -0.983 5.411 -3.717 616 HG1 THR 75 HG1 THR 75 -2.811 6.599 -3.953 617 HG21 THR 75 HG21 THR 75 -2.202 3.531 -2.679 618 HG22 THR 75 HG22 THR 75 -2.209 4.401 -1.144 619 HG23 THR 75 HG23 THR 75 -0.682 3.872 -1.851 620 H LEU 76 H LEU 76 1.239 7.216 -3.289 621 HA LEU 76 HA LEU 76 2.978 5.201 -2.587 622 HB2 LEU 76 HB2 LEU 76 3.197 7.810 -3.849 623 HB3 LEU 76 HB3 LEU 76 4.650 7.368 -2.971 624 HG LEU 76 HG LEU 76 3.333 5.758 -5.152 625 HD11 LEU 76 HD11 LEU 76 5.417 6.241 -6.382 626 HD12 LEU 76 HD12 LEU 76 5.910 7.318 -5.075 627 HD13 LEU 76 HD13 LEU 76 4.475 7.692 -6.032 628 HD21 LEU 76 HD21 LEU 76 5.286 4.287 -4.949 629 HD22 LEU 76 HD22 LEU 76 4.321 4.305 -3.473 630 HD23 LEU 76 HD23 LEU 76 5.831 5.214 -3.552 631 H ARG 77 H ARG 77 2.813 8.439 -1.107 632 HA ARG 77 HA ARG 77 4.853 8.035 0.762 633 HB2 ARG 77 HB2 ARG 77 3.759 9.884 2.060 634 HB3 ARG 77 HB3 ARG 77 4.110 10.258 0.380 635 HG2 ARG 77 HG2 ARG 77 1.767 9.825 -0.193 636 HG3 ARG 77 HG3 ARG 77 1.425 9.493 1.506 637 HD2 ARG 77 HD2 ARG 77 1.912 11.729 2.129 638 HD3 ARG 77 HD3 ARG 77 2.605 12.088 0.549 639 HE ARG 77 HE ARG 77 -0.229 11.363 0.676 640 HH11 ARG 77 HH11 ARG 77 2.234 13.807 0.281 641 HH12 ARG 77 HH12 ARG 77 1.168 14.970 -0.445 642 HH21 ARG 77 HH21 ARG 77 -1.655 12.882 -0.304 643 HH22 ARG 77 HH22 ARG 77 -1.045 14.454 -0.744 644 H TRP 78 H TRP 78 1.453 7.181 0.907 645 HA TRP 78 HA TRP 78 1.381 6.499 3.663 646 HB2 TRP 78 HB2 TRP 78 -0.635 6.950 2.296 647 HB3 TRP 78 HB3 TRP 78 -0.321 5.492 1.365 648 HD1 TRP 78 HD1 TRP 78 -0.985 3.166 2.466 649 HE1 TRP 78 HE1 TRP 78 -2.461 2.558 4.486 650 HE3 TRP 78 HE3 TRP 78 -1.289 7.772 4.667 651 HZ2 TRP 78 HZ2 TRP 78 -3.606 3.860 6.716 652 HZ3 TRP 78 HZ3 TRP 78 -2.598 8.006 6.736 653 HH2 TRP 78 HH2 TRP 78 -3.731 6.091 7.740 654 H LEU 79 H LEU 79 2.277 4.826 0.738 655 HA LEU 79 HA LEU 79 2.167 2.183 1.650 656 HB2 LEU 79 HB2 LEU 79 3.901 3.412 -0.484 657 HB3 LEU 79 HB3 LEU 79 3.666 1.689 -0.254 658 HG LEU 79 HG LEU 79 1.446 3.625 -0.893 659 HD11 LEU 79 HD11 LEU 79 2.936 1.744 -2.716 660 HD12 LEU 79 HD12 LEU 79 3.016 3.505 -2.747 661 HD13 LEU 79 HD13 LEU 79 1.507 2.684 -3.146 662 HD21 LEU 79 HD21 LEU 79 1.560 0.614 -0.872 663 HD22 LEU 79 HD22 LEU 79 0.192 1.583 -1.416 664 HD23 LEU 79 HD23 LEU 79 0.694 1.637 0.274 665 H LYS 80 H LYS 80 4.979 4.412 1.539 666 HA LYS 80 HA LYS 80 6.873 2.562 2.502 667 HB2 LYS 80 HB2 LYS 80 6.940 5.493 3.205 668 HB3 LYS 80 HB3 LYS 80 8.295 4.388 3.081 669 HG2 LYS 80 HG2 LYS 80 8.571 5.482 1.134 670 HG3 LYS 80 HG3 LYS 80 7.427 4.260 0.565 671 HD2 LYS 80 HD2 LYS 80 5.660 5.738 0.540 672 HD3 LYS 80 HD3 LYS 80 6.409 6.810 1.723 673 HE2 LYS 80 HE2 LYS 80 6.440 7.892 -0.396 674 HE3 LYS 80 HE3 LYS 80 8.083 7.427 0.026 675 HZ1 LYS 80 HZ1 LYS 80 7.612 6.955 -2.301 676 HZ2 LYS 80 HZ2 LYS 80 6.305 5.976 -1.859 677 HZ3 LYS 80 HZ3 LYS 80 7.879 5.510 -1.452 678 H ARG 81 H ARG 81 5.072 5.055 4.218 679 HA ARG 81 HA ARG 81 5.800 4.505 6.828 680 HB2 ARG 81 HB2 ARG 81 3.008 5.239 5.958 681 HB3 ARG 81 HB3 ARG 81 3.761 5.585 7.507 682 HG2 ARG 81 HG2 ARG 81 5.253 7.153 6.506 683 HG3 ARG 81 HG3 ARG 81 4.716 6.698 4.886 684 HD2 ARG 81 HD2 ARG 81 3.631 8.730 5.466 685 HD3 ARG 81 HD3 ARG 81 2.429 7.453 5.512 686 HE ARG 81 HE ARG 81 3.499 7.761 8.088 687 HH11 ARG 81 HH11 ARG 81 1.510 9.521 5.803 688 HH12 ARG 81 HH12 ARG 81 0.613 10.362 7.028 689 HH21 ARG 81 HH21 ARG 81 2.320 8.876 9.700 690 HH22 ARG 81 HH22 ARG 81 1.072 9.998 9.236 691 H MET 82 H MET 82 3.090 3.105 5.018 692 HA MET 82 HA MET 82 2.063 1.450 7.005 693 HB2 MET 82 HB2 MET 82 0.912 1.863 4.891 694 HB3 MET 82 HB3 MET 82 2.142 0.955 4.024 695 HG2 MET 82 HG2 MET 82 1.491 -1.073 5.231 696 HG3 MET 82 HG3 MET 82 0.248 -0.161 6.082 697 HE1 MET 82 HE1 MET 82 1.373 0.176 2.348 698 HE2 MET 82 HE2 MET 82 0.225 -0.882 1.527 699 HE3 MET 82 HE3 MET 82 1.440 -1.568 2.607 700 H PHE 83 H PHE 83 4.480 0.605 4.511 701 HA PHE 83 HA PHE 83 4.881 -2.035 5.500 702 HB2 PHE 83 HB2 PHE 83 6.542 -0.302 3.668 703 HB3 PHE 83 HB3 PHE 83 6.986 -1.952 4.086 704 HD1 PHE 83 HD1 PHE 83 4.837 -3.613 3.831 705 HD2 PHE 83 HD2 PHE 83 5.565 -0.055 1.623 706 HE1 PHE 83 HE1 PHE 83 3.426 -4.464 2.007 707 HE2 PHE 83 HE2 PHE 83 4.151 -0.897 -0.207 708 HZ PHE 83 HZ PHE 83 3.080 -3.107 -0.016 709 H ASN 84 H ASN 84 6.183 1.057 6.318 710 HA ASN 84 HA ASN 84 8.612 0.342 7.487 711 HB2 ASN 84 HB2 ASN 84 7.885 2.667 7.010 712 HB3 ASN 84 HB3 ASN 84 6.745 2.565 8.348 713 HD21 ASN 84 HD21 ASN 84 7.494 2.696 10.440 714 HD22 ASN 84 HD22 ASN 84 9.112 3.170 10.831 715 H TYR 85 H TYR 85 5.362 -0.063 8.646 716 HA TYR 85 HA TYR 85 5.858 -0.434 11.388 717 HB2 TYR 85 HB2 TYR 85 3.585 -0.257 10.418 718 HB3 TYR 85 HB3 TYR 85 3.802 -1.804 9.617 719 HD1 TYR 85 HD1 TYR 85 3.989 -3.891 11.033 720 HD2 TYR 85 HD2 TYR 85 2.816 -0.133 12.654 721 HE1 TYR 85 HE1 TYR 85 3.021 -5.040 12.978 722 HE2 TYR 85 HE2 TYR 85 1.846 -1.274 14.605 723 HH TYR 85 HH TYR 85 0.884 -3.670 15.059 724 H ALA 86 H ALA 86 6.152 -2.615 8.632 725 HA ALA 86 HA ALA 86 6.758 -4.912 10.245 726 HB1 ALA 86 HB1 ALA 86 7.174 -4.470 7.292 727 HB2 ALA 86 HB2 ALA 86 5.721 -5.132 8.040 728 HB3 ALA 86 HB3 ALA 86 7.243 -6.019 8.133 729 H ILE 87 H ILE 87 8.577 -2.406 8.606 730 HA ILE 87 HA ILE 87 11.133 -3.621 8.951 731 HB ILE 87 HB ILE 87 10.283 -0.805 8.302 732 HG12 ILE 87 HG12 ILE 87 11.644 -1.305 6.229 733 HG13 ILE 87 HG13 ILE 87 11.783 -2.960 6.803 734 HG21 ILE 87 HG21 ILE 87 12.628 -0.170 8.050 735 HG22 ILE 87 HG22 ILE 87 13.126 -1.734 8.697 736 HG23 ILE 87 HG23 ILE 87 12.254 -0.594 9.721 737 HD11 ILE 87 HD11 ILE 87 10.048 -2.719 5.120 738 HD12 ILE 87 HD12 ILE 87 9.213 -1.546 6.139 739 HD13 ILE 87 HD13 ILE 87 9.374 -3.220 6.670 740 H LYS 88 H LYS 88 9.229 -1.283 10.834 741 HA LYS 88 HA LYS 88 11.311 -0.834 12.720 742 HB2 LYS 88 HB2 LYS 88 9.760 0.469 13.972 743 HB3 LYS 88 HB3 LYS 88 9.492 0.796 12.271 744 HG2 LYS 88 HG2 LYS 88 7.557 -0.756 12.330 745 HG3 LYS 88 HG3 LYS 88 7.798 -0.913 14.073 746 HD2 LYS 88 HD2 LYS 88 7.574 1.564 14.255 747 HD3 LYS 88 HD3 LYS 88 7.157 1.606 12.542 748 HE2 LYS 88 HE2 LYS 88 5.263 0.060 13.043 749 HE3 LYS 88 HE3 LYS 88 5.638 0.241 14.757 750 HZ1 LYS 88 HZ1 LYS 88 4.746 2.353 12.871 751 HZ2 LYS 88 HZ2 LYS 88 5.333 2.682 14.429 752 HZ3 LYS 88 HZ3 LYS 88 3.917 1.766 14.235 753 H ARG 89 H ARG 89 8.939 -3.287 12.363 754 HA ARG 89 HA ARG 89 9.406 -4.288 15.073 755 HB2 ARG 89 HB2 ARG 89 7.130 -4.343 13.884 756 HB3 ARG 89 HB3 ARG 89 7.806 -5.623 12.888 757 HG2 ARG 89 HG2 ARG 89 6.496 -6.568 14.674 758 HG3 ARG 89 HG3 ARG 89 8.199 -6.968 14.901 759 HD2 ARG 89 HD2 ARG 89 8.439 -5.302 16.599 760 HD3 ARG 89 HD3 ARG 89 6.829 -4.660 16.270 761 HE ARG 89 HE ARG 89 6.091 -7.014 17.013 762 HH11 ARG 89 HH11 ARG 89 8.814 -5.242 18.341 763 HH12 ARG 89 HH12 ARG 89 8.727 -6.019 19.888 764 HH21 ARG 89 HH21 ARG 89 5.965 -8.026 19.056 765 HH22 ARG 89 HH22 ARG 89 7.106 -7.595 20.304 766 H HIS 90 H HIS 90 10.856 -4.292 12.163 767 HA HIS 90 HA HIS 90 12.500 -5.399 11.118 768 HB2 HIS 90 HB2 HIS 90 13.359 -5.235 13.603 769 HB3 HIS 90 HB3 HIS 90 13.173 -6.988 13.552 770 HD1 HIS 90 HD1 HIS 90 15.230 -8.178 12.788 771 HD2 HIS 90 HD2 HIS 90 14.945 -4.351 11.184 772 HE1 HIS 90 HE1 HIS 90 17.325 -7.855 11.427 773 HE2 HIS 90 HE2 HIS 90 17.065 -5.585 10.354 774 H ILE 91 H ILE 91 9.841 -6.583 11.188 775 HA ILE 91 HA ILE 91 10.153 -9.425 11.087 776 HB ILE 91 HB ILE 91 8.077 -7.703 9.703 777 HG12 ILE 91 HG12 ILE 91 7.941 -9.151 12.362 778 HG13 ILE 91 HG13 ILE 91 8.079 -7.409 12.156 779 HG21 ILE 91 HG21 ILE 91 8.261 -9.929 8.724 780 HG22 ILE 91 HG22 ILE 91 6.745 -9.757 9.606 781 HG23 ILE 91 HG23 ILE 91 8.081 -10.657 10.321 782 HD11 ILE 91 HD11 ILE 91 5.764 -9.109 11.254 783 HD12 ILE 91 HD12 ILE 91 5.897 -7.360 11.072 784 HD13 ILE 91 HD13 ILE 91 5.800 -8.074 12.681 785 H ILE 92 H ILE 92 10.053 -6.823 8.714 786 HA ILE 92 HA ILE 92 11.794 -8.435 6.978 787 HB ILE 92 HB ILE 92 10.818 -7.407 4.998 788 HG12 ILE 92 HG12 ILE 92 8.801 -6.122 6.850 789 HG13 ILE 92 HG13 ILE 92 10.138 -5.275 6.080 790 HG21 ILE 92 HG21 ILE 92 8.718 -8.645 6.767 791 HG22 ILE 92 HG22 ILE 92 9.848 -9.504 5.719 792 HG23 ILE 92 HG23 ILE 92 8.603 -8.469 5.017 793 HD11 ILE 92 HD11 ILE 92 9.197 -5.779 3.888 794 HD12 ILE 92 HD12 ILE 92 8.052 -4.898 4.900 795 HD13 ILE 92 HD13 ILE 92 7.862 -6.635 4.659 796 H GLU 93 H GLU 93 13.344 -7.171 5.793 797 HA GLU 93 HA GLU 93 13.694 -4.439 6.832 798 HB2 GLU 93 HB2 GLU 93 15.366 -6.228 7.603 799 HB3 GLU 93 HB3 GLU 93 15.958 -6.225 5.948 800 HG2 GLU 93 HG2 GLU 93 16.580 -3.914 6.117 801 HG3 GLU 93 HG3 GLU 93 15.837 -3.791 7.710 802 H TYR 94 H TYR 94 12.207 -5.302 4.581 803 HA TYR 94 HA TYR 94 13.721 -4.047 2.388 804 HB2 TYR 94 HB2 TYR 94 11.539 -6.088 1.950 805 HB3 TYR 94 HB3 TYR 94 12.750 -5.526 0.805 806 HD1 TYR 94 HD1 TYR 94 15.053 -6.389 0.908 807 HD2 TYR 94 HD2 TYR 94 12.027 -7.824 3.534 808 HE1 TYR 94 HE1 TYR 94 16.464 -8.322 1.476 809 HE2 TYR 94 HE2 TYR 94 13.430 -9.758 4.106 810 HH TYR 94 HH TYR 94 15.257 -11.015 3.301 811 H ASN 95 H ASN 95 12.814 -2.104 1.975 812 HA ASN 95 HA ASN 95 9.936 -1.790 2.429 813 HB2 ASN 95 HB2 ASN 95 11.736 -0.391 3.728 814 HB3 ASN 95 HB3 ASN 95 11.852 0.517 2.226 815 HD21 ASN 95 HD21 ASN 95 9.037 0.135 1.591 816 HD22 ASN 95 HD22 ASN 95 8.170 1.170 2.650 817 HA PRO 96 HA PRO 96 10.559 -1.935 -2.140 818 HB2 PRO 96 HB2 PRO 96 7.851 -2.284 -2.633 819 HB3 PRO 96 HB3 PRO 96 9.017 -3.592 -2.407 820 HG2 PRO 96 HG2 PRO 96 7.100 -2.395 -0.456 821 HG3 PRO 96 HG3 PRO 96 7.581 -4.089 -0.667 822 HD2 PRO 96 HD2 PRO 96 8.552 -2.597 1.338 823 HD3 PRO 96 HD3 PRO 96 9.558 -3.805 0.512 824 H ALA 97 H ALA 97 7.967 -0.204 -0.454 825 HA ALA 97 HA ALA 97 7.480 1.580 -2.633 826 HB1 ALA 97 HB1 ALA 97 5.910 2.663 -1.136 827 HB2 ALA 97 HB2 ALA 97 6.554 1.745 0.225 828 HB3 ALA 97 HB3 ALA 97 5.716 0.911 -1.084 829 H ALA 98 H ALA 98 9.853 1.511 -0.231 830 HA ALA 98 HA ALA 98 10.117 4.353 0.122 831 HB1 ALA 98 HB1 ALA 98 12.150 3.832 1.339 832 HB2 ALA 98 HB2 ALA 98 12.080 2.162 0.779 833 HB3 ALA 98 HB3 ALA 98 10.836 2.779 1.865 834 H ALA 99 H ALA 99 11.408 1.904 -1.987 835 HA ALA 99 HA ALA 99 13.444 3.602 -3.106 836 HB1 ALA 99 HB1 ALA 99 13.776 1.192 -3.035 837 HB2 ALA 99 HB2 ALA 99 13.785 1.770 -4.702 838 HB3 ALA 99 HB3 ALA 99 12.361 0.954 -4.058 839 H PHE 100 H PHE 100 10.163 2.630 -3.909 840 HA PHE 100 HA PHE 100 10.233 3.868 -6.507 841 HB2 PHE 100 HB2 PHE 100 8.767 1.875 -5.839 842 HB3 PHE 100 HB3 PHE 100 7.740 3.046 -5.022 843 HD1 PHE 100 HD1 PHE 100 9.065 1.993 -8.286 844 HD2 PHE 100 HD2 PHE 100 6.258 4.445 -6.238 845 HE1 PHE 100 HE1 PHE 100 7.922 2.453 -10.414 846 HE2 PHE 100 HE2 PHE 100 5.107 4.910 -8.364 847 HZ PHE 100 HZ PHE 100 5.938 3.911 -10.456 848 H ASP 101 H ASP 101 10.750 5.961 -6.203 849 HA ASP 101 HA ASP 101 10.554 8.165 -5.728 850 HB2 ASP 101 HB2 ASP 101 8.786 7.828 -7.424 851 HB3 ASP 101 HB3 ASP 101 7.617 7.602 -6.127 852 HA PRO 102 HA PRO 102 9.466 7.940 -1.295 853 HB2 PRO 102 HB2 PRO 102 11.617 9.381 -0.480 854 HB3 PRO 102 HB3 PRO 102 11.677 7.635 -0.743 855 HG2 PRO 102 HG2 PRO 102 12.595 9.852 -2.526 856 HG3 PRO 102 HG3 PRO 102 13.372 8.296 -2.179 857 HD2 PRO 102 HD2 PRO 102 11.944 8.771 -4.447 858 HD3 PRO 102 HD3 PRO 102 12.076 7.165 -3.702 859 H GLY 103 H GLY 103 10.091 10.438 -3.593 860 HA2 GLY 103 HA2 GLY 103 9.311 12.587 -3.791 861 HA3 GLY 103 HA3 GLY 103 8.181 12.218 -2.494 862 H ASP 104 H ASP 104 8.590 12.926 -0.470 863 HA ASP 104 HA ASP 104 11.257 13.797 0.264 864 HB2 ASP 104 HB2 ASP 104 10.277 15.844 -0.677 865 HB3 ASP 104 HB3 ASP 104 8.890 15.679 0.396 866 H ALA 105 H ALA 105 11.604 12.778 2.092 867 HA ALA 105 HA ALA 105 9.438 12.667 4.079 868 HB1 ALA 105 HB1 ALA 105 9.602 10.482 3.016 869 HB2 ALA 105 HB2 ALA 105 10.147 10.397 4.692 870 HB3 ALA 105 HB3 ALA 105 11.325 10.419 3.379 871 H GLY 106 H GLY 106 10.125 14.034 5.597 872 HA2 GLY 106 HA2 GLY 106 12.948 14.020 6.387 873 HA3 GLY 106 HA3 GLY 106 11.734 15.196 6.883 874 H GLY 107 H GLY 107 9.914 12.774 7.318 875 HA2 GLY 107 HA2 GLY 107 9.459 11.220 8.973 876 HA3 GLY 107 HA3 GLY 107 11.115 11.391 9.541 877 H LYS 108 H LYS 108 9.064 14.167 9.097 878 HA LYS 108 HA LYS 108 9.363 14.973 11.775 879 HB2 LYS 108 HB2 LYS 108 9.102 16.602 9.970 880 HB3 LYS 108 HB3 LYS 108 7.477 16.001 9.648 881 HG2 LYS 108 HG2 LYS 108 7.549 18.097 10.982 882 HG3 LYS 108 HG3 LYS 108 6.698 16.765 11.772 883 HD2 LYS 108 HD2 LYS 108 8.051 17.666 13.448 884 HD3 LYS 108 HD3 LYS 108 8.931 16.248 12.898 885 HE2 LYS 108 HE2 LYS 108 10.588 17.849 12.999 886 HE3 LYS 108 HE3 LYS 108 10.113 17.898 11.305 887 HZ1 LYS 108 HZ1 LYS 108 10.201 20.117 11.950 888 HZ2 LYS 108 HZ2 LYS 108 9.462 19.826 13.449 889 HZ3 LYS 108 HZ3 LYS 108 8.549 19.755 12.027 890 H LEU 109 H LEU 109 8.487 13.806 13.312 891 HA LEU 109 HA LEU 109 5.563 13.605 13.311 892 HB2 LEU 109 HB2 LEU 109 6.965 11.387 12.989 893 HB3 LEU 109 HB3 LEU 109 7.241 11.549 14.710 894 HG LEU 109 HG LEU 109 4.493 11.405 13.463 895 HD11 LEU 109 HD11 LEU 109 5.717 9.346 13.033 896 HD12 LEU 109 HD12 LEU 109 4.443 9.088 14.226 897 HD13 LEU 109 HD13 LEU 109 6.125 9.218 14.744 898 HD21 LEU 109 HD21 LEU 109 3.766 10.887 15.737 899 HD22 LEU 109 HD22 LEU 109 4.542 12.469 15.657 900 HD23 LEU 109 HD23 LEU 109 5.421 11.090 16.317 901 H GLU 110 H GLU 110 4.869 14.922 14.858 902 HA GLU 110 HA GLU 110 6.399 16.268 16.701 903 HB2 GLU 110 HB2 GLU 110 3.482 15.528 16.741 904 HB3 GLU 110 HB3 GLU 110 4.205 16.512 18.007 905 HG2 GLU 110 HG2 GLU 110 3.120 17.911 16.369 906 HG3 GLU 110 HG3 GLU 110 4.859 18.175 16.337 907 H HIS 111 H HIS 111 6.700 16.079 18.964 908 HA HIS 111 HA HIS 111 7.681 13.504 19.577 909 HB2 HIS 111 HB2 HIS 111 7.397 15.961 21.306 910 HB3 HIS 111 HB3 HIS 111 8.227 14.492 21.814 911 HD1 HIS 111 HD1 HIS 111 9.099 17.658 20.739 912 HD2 HIS 111 HD2 HIS 111 10.204 13.863 19.442 913 HE1 HIS 111 HE1 HIS 111 11.281 17.965 19.516 914 HE2 HIS 111 HE2 HIS 111 12.004 15.633 18.868 915 H HIS 112 H HIS 112 6.077 12.053 19.565 916 HA HIS 112 HA HIS 112 4.038 12.238 21.682 917 HB2 HIS 112 HB2 HIS 112 3.303 11.938 19.265 918 HB3 HIS 112 HB3 HIS 112 4.079 10.361 19.302 919 HD1 HIS 112 HD1 HIS 112 2.655 8.463 20.026 920 HD2 HIS 112 HD2 HIS 112 1.122 12.134 21.258 921 HE1 HIS 112 HE1 HIS 112 0.405 7.959 21.031 922 HE2 HIS 112 HE2 HIS 112 -0.566 10.199 21.645 923 H HIS 113 H HIS 113 6.512 11.728 22.533 924 HA HIS 113 HA HIS 113 7.184 8.940 22.574 925 HB2 HIS 113 HB2 HIS 113 8.980 9.598 24.113 926 HB3 HIS 113 HB3 HIS 113 8.939 10.647 22.703 927 HD1 HIS 113 HD1 HIS 113 9.078 10.745 26.315 928 HD2 HIS 113 HD2 HIS 113 7.625 13.231 23.313 929 HE1 HIS 113 HE1 HIS 113 8.818 13.013 27.373 930 HE2 HIS 113 HE2 HIS 113 7.773 14.454 25.581 931 H HIS 114 H HIS 114 4.566 9.892 23.657 932 HA HIS 114 HA HIS 114 4.535 8.148 25.946 933 HB2 HIS 114 HB2 HIS 114 5.032 10.553 26.774 934 HB3 HIS 114 HB3 HIS 114 3.370 10.909 26.312 935 HD1 HIS 114 HD1 HIS 114 5.324 8.642 28.623 936 HD2 HIS 114 HD2 HIS 114 1.500 10.217 28.193 937 HE1 HIS 114 HE1 HIS 114 4.085 7.995 30.714 938 HE2 HIS 114 HE2 HIS 114 1.737 8.851 30.379 939 H HIS 115 H HIS 115 2.391 7.430 26.400 940 HA HIS 115 HA HIS 115 0.299 6.748 25.858 941 HB2 HIS 115 HB2 HIS 115 0.296 9.146 24.019 942 HB3 HIS 115 HB3 HIS 115 -1.057 8.028 24.138 943 HD1 HIS 115 HD1 HIS 115 -2.441 8.063 26.333 944 HD2 HIS 115 HD2 HIS 115 0.541 10.958 26.129 945 HE1 HIS 115 HE1 HIS 115 -2.943 9.684 28.186 946 HE2 HIS 115 HE2 HIS 115 -1.067 11.363 28.123 947 H HIS 116 H HIS 116 -0.304 5.068 24.661 948 HA HIS 116 HA HIS 116 1.016 4.679 22.056 949 HB2 HIS 116 HB2 HIS 116 1.391 2.286 22.661 950 HB3 HIS 116 HB3 HIS 116 2.324 3.403 23.646 951 HD1 HIS 116 HD1 HIS 116 1.787 3.509 26.161 952 HD2 HIS 116 HD2 HIS 116 -0.624 0.869 24.030 953 HE1 HIS 116 HE1 HIS 116 0.569 2.148 27.888 954 HE2 HIS 116 HE2 HIS 116 -0.946 0.620 26.583 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -0.797 -14.771 18.765 2 H2 MET 1 H2 MET 1 0.731 -14.683 18.046 3 H3 MET 1 H3 MET 1 -0.646 -14.270 17.150 4 HA MET 1 HA MET 1 -1.071 -12.432 18.700 5 HB2 MET 1 HB2 MET 1 0.721 -11.727 20.200 6 HB3 MET 1 HB3 MET 1 0.181 -13.349 20.604 7 HG2 MET 1 HG2 MET 1 2.117 -14.288 19.454 8 HG3 MET 1 HG3 MET 1 2.657 -12.664 19.034 9 HE1 MET 1 HE1 MET 1 5.238 -13.898 21.750 10 HE2 MET 1 HE2 MET 1 5.055 -13.267 20.114 11 HE3 MET 1 HE3 MET 1 4.439 -14.871 20.514 12 H ALA 2 H ALA 2 1.288 -13.621 16.552 13 HA ALA 2 HA ALA 2 2.487 -12.738 14.853 14 HB1 ALA 2 HB1 ALA 2 0.268 -11.956 14.161 15 HB2 ALA 2 HB2 ALA 2 1.549 -10.850 13.665 16 HB3 ALA 2 HB3 ALA 2 0.529 -10.453 15.047 17 H GLU 3 H GLU 3 4.431 -12.454 15.944 18 HA GLU 3 HA GLU 3 5.054 -9.643 16.484 19 HB2 GLU 3 HB2 GLU 3 4.530 -10.731 18.643 20 HB3 GLU 3 HB3 GLU 3 5.812 -11.897 18.347 21 HG2 GLU 3 HG2 GLU 3 7.470 -10.409 18.799 22 HG3 GLU 3 HG3 GLU 3 6.528 -9.022 18.257 23 H LYS 4 H LYS 4 6.260 -12.908 15.840 24 HA LYS 4 HA LYS 4 8.853 -11.800 15.094 25 HB2 LYS 4 HB2 LYS 4 9.517 -14.162 14.697 26 HB3 LYS 4 HB3 LYS 4 8.957 -13.865 16.336 27 HG2 LYS 4 HG2 LYS 4 6.975 -15.028 16.005 28 HG3 LYS 4 HG3 LYS 4 7.098 -14.922 14.247 29 HD2 LYS 4 HD2 LYS 4 9.070 -16.407 14.331 30 HD3 LYS 4 HD3 LYS 4 8.844 -16.565 16.073 31 HE2 LYS 4 HE2 LYS 4 6.793 -17.690 15.812 32 HE3 LYS 4 HE3 LYS 4 6.673 -17.237 14.113 33 HZ1 LYS 4 HZ1 LYS 4 7.315 -19.546 14.375 34 HZ2 LYS 4 HZ2 LYS 4 8.689 -19.093 15.263 35 HZ3 LYS 4 HZ3 LYS 4 8.552 -18.660 13.627 36 H ASN 5 H ASN 5 6.291 -13.761 13.582 37 HA ASN 5 HA ASN 5 6.298 -12.266 11.191 38 HB2 ASN 5 HB2 ASN 5 8.465 -13.529 10.891 39 HB3 ASN 5 HB3 ASN 5 7.524 -15.016 10.883 40 HD21 ASN 5 HD21 ASN 5 9.184 -14.020 8.787 41 HD22 ASN 5 HD22 ASN 5 8.168 -13.773 7.404 42 H ALA 6 H ALA 6 4.134 -12.309 11.487 43 HA ALA 6 HA ALA 6 2.823 -14.687 10.436 44 HB1 ALA 6 HB1 ALA 6 1.051 -14.615 12.126 45 HB2 ALA 6 HB2 ALA 6 1.899 -13.318 12.967 46 HB3 ALA 6 HB3 ALA 6 2.618 -14.926 12.874 47 H TYR 7 H TYR 7 3.609 -12.088 9.486 48 HA TYR 7 HA TYR 7 1.134 -10.540 9.437 49 HB2 TYR 7 HB2 TYR 7 4.010 -9.817 8.921 50 HB3 TYR 7 HB3 TYR 7 2.688 -8.749 8.466 51 HD1 TYR 7 HD1 TYR 7 4.091 -10.559 11.421 52 HD2 TYR 7 HD2 TYR 7 1.872 -7.222 9.993 53 HE1 TYR 7 HE1 TYR 7 4.070 -9.607 13.691 54 HE2 TYR 7 HE2 TYR 7 1.844 -6.263 12.253 55 HH TYR 7 HH TYR 7 3.752 -7.551 14.829 56 H THR 8 H THR 8 -0.067 -11.455 7.832 57 HA THR 8 HA THR 8 0.873 -11.682 5.140 58 HB THR 8 HB THR 8 -1.982 -11.167 5.999 59 HG1 THR 8 HG1 THR 8 -1.904 -12.984 7.064 60 HG21 THR 8 HG21 THR 8 -0.787 -12.746 3.719 61 HG22 THR 8 HG22 THR 8 -1.592 -11.182 3.599 62 HG23 THR 8 HG23 THR 8 -2.509 -12.612 4.074 63 H VAL 9 H VAL 9 0.486 -10.086 3.426 64 HA VAL 9 HA VAL 9 1.011 -7.448 4.225 65 HB VAL 9 HB VAL 9 1.568 -8.311 1.981 66 HG11 VAL 9 HG11 VAL 9 -0.149 -8.353 0.228 67 HG12 VAL 9 HG12 VAL 9 -1.388 -8.072 1.452 68 HG13 VAL 9 HG13 VAL 9 -0.439 -9.559 1.482 69 HG21 VAL 9 HG21 VAL 9 -0.143 -5.828 2.008 70 HG22 VAL 9 HG22 VAL 9 0.968 -6.275 0.715 71 HG23 VAL 9 HG23 VAL 9 1.589 -5.923 2.327 72 H ALA 10 H ALA 10 -2.016 -9.059 3.458 73 HA ALA 10 HA ALA 10 -3.658 -6.744 3.622 74 HB1 ALA 10 HB1 ALA 10 -5.521 -8.299 3.714 75 HB2 ALA 10 HB2 ALA 10 -4.413 -9.634 4.032 76 HB3 ALA 10 HB3 ALA 10 -4.365 -8.800 2.479 77 H GLN 11 H GLN 11 -2.554 -9.148 5.924 78 HA GLN 11 HA GLN 11 -4.184 -8.422 8.105 79 HB2 GLN 11 HB2 GLN 11 -2.799 -10.525 7.874 80 HB3 GLN 11 HB3 GLN 11 -1.380 -9.550 8.225 81 HG2 GLN 11 HG2 GLN 11 -2.082 -10.691 10.211 82 HG3 GLN 11 HG3 GLN 11 -2.353 -8.960 10.405 83 HE21 GLN 11 HE21 GLN 11 -3.852 -12.066 9.950 84 HE22 GLN 11 HE22 GLN 11 -5.455 -11.580 10.396 85 H LEU 12 H LEU 12 -0.976 -7.410 7.051 86 HA LEU 12 HA LEU 12 -0.419 -5.630 9.159 87 HB2 LEU 12 HB2 LEU 12 1.287 -6.478 7.621 88 HB3 LEU 12 HB3 LEU 12 0.536 -5.616 6.294 89 HG LEU 12 HG LEU 12 1.072 -3.470 7.429 90 HD11 LEU 12 HD11 LEU 12 1.161 -4.298 9.722 91 HD12 LEU 12 HD12 LEU 12 2.661 -3.481 9.281 92 HD13 LEU 12 HD13 LEU 12 2.599 -5.242 9.329 93 HD21 LEU 12 HD21 LEU 12 3.418 -5.295 6.921 94 HD22 LEU 12 HD22 LEU 12 3.468 -3.533 6.943 95 HD23 LEU 12 HD23 LEU 12 2.539 -4.373 5.701 96 H ALA 13 H ALA 13 -2.047 -5.216 6.055 97 HA ALA 13 HA ALA 13 -2.307 -2.413 6.149 98 HB1 ALA 13 HB1 ALA 13 -4.096 -4.406 4.765 99 HB2 ALA 13 HB2 ALA 13 -2.611 -3.722 4.101 100 HB3 ALA 13 HB3 ALA 13 -3.996 -2.679 4.422 101 H ASP 14 H ASP 14 -4.320 -5.010 7.426 102 HA ASP 14 HA ASP 14 -6.478 -3.285 8.188 103 HB2 ASP 14 HB2 ASP 14 -6.664 -5.775 7.751 104 HB3 ASP 14 HB3 ASP 14 -5.877 -6.027 9.306 105 H GLU 15 H GLU 15 -3.690 -4.697 9.820 106 HA GLU 15 HA GLU 15 -4.128 -3.679 12.401 107 HB2 GLU 15 HB2 GLU 15 -2.407 -5.342 11.944 108 HB3 GLU 15 HB3 GLU 15 -1.552 -4.217 10.902 109 HG2 GLU 15 HG2 GLU 15 -0.411 -4.391 13.003 110 HG3 GLU 15 HG3 GLU 15 -1.109 -2.782 12.851 111 H TYR 16 H TYR 16 -2.411 -2.340 9.615 112 HA TYR 16 HA TYR 16 -1.591 0.091 10.672 113 HB2 TYR 16 HB2 TYR 16 -0.887 -0.799 8.481 114 HB3 TYR 16 HB3 TYR 16 -2.502 -0.516 7.848 115 HD1 TYR 16 HD2 TYR 16 0.594 1.101 9.008 116 HD2 TYR 16 HD1 TYR 16 -3.187 1.665 7.149 117 HE1 TYR 16 HE2 TYR 16 1.273 3.365 8.325 118 HE2 TYR 16 HE1 TYR 16 -2.520 3.925 6.463 119 HH TYR 16 HH TYR 16 -0.976 5.635 7.047 120 H PHE 17 H PHE 17 -4.682 -0.816 9.210 121 HA PHE 17 HA PHE 17 -5.916 1.687 9.162 122 HB2 PHE 17 HB2 PHE 17 -6.816 -0.347 8.073 123 HB3 PHE 17 HB3 PHE 17 -7.203 -1.011 9.654 124 HD1 PHE 17 HD1 PHE 17 -9.048 -0.099 10.966 125 HD2 PHE 17 HD2 PHE 17 -8.153 1.368 7.073 126 HE1 PHE 17 HE1 PHE 17 -11.263 0.961 10.863 127 HE2 PHE 17 HE2 PHE 17 -10.365 2.440 6.968 128 HZ PHE 17 HZ PHE 17 -11.924 2.238 8.862 129 H GLU 18 H GLU 18 -5.783 -0.746 11.719 130 HA GLU 18 HA GLU 18 -7.502 0.590 13.527 131 HB2 GLU 18 HB2 GLU 18 -7.012 -1.817 13.628 132 HB3 GLU 18 HB3 GLU 18 -5.341 -1.466 14.037 133 HG2 GLU 18 HG2 GLU 18 -6.622 -2.134 15.990 134 HG3 GLU 18 HG3 GLU 18 -6.035 -0.480 16.139 135 H ARG 19 H ARG 19 -4.187 1.079 12.700 136 HA ARG 19 HA ARG 19 -3.621 2.364 15.270 137 HB2 ARG 19 HB2 ARG 19 -1.753 1.606 13.021 138 HB3 ARG 19 HB3 ARG 19 -1.265 2.287 14.568 139 HG2 ARG 19 HG2 ARG 19 -2.542 -0.389 14.074 140 HG3 ARG 19 HG3 ARG 19 -0.906 -0.063 14.658 141 HD2 ARG 19 HD2 ARG 19 -1.824 0.941 16.674 142 HD3 ARG 19 HD3 ARG 19 -3.458 0.646 16.093 143 HE ARG 19 HE ARG 19 -2.162 -1.813 16.090 144 HH11 ARG 19 HH11 ARG 19 -3.105 0.627 18.428 145 HH12 ARG 19 HH12 ARG 19 -3.320 -0.515 19.722 146 HH21 ARG 19 HH21 ARG 19 -2.440 -3.312 17.797 147 HH22 ARG 19 HH22 ARG 19 -2.914 -2.741 19.372 148 H MET 20 H MET 20 -3.682 3.082 11.813 149 HA MET 20 HA MET 20 -2.861 5.840 12.441 150 HB2 MET 20 HB2 MET 20 -2.781 4.401 9.788 151 HB3 MET 20 HB3 MET 20 -2.202 6.034 10.091 152 HG2 MET 20 HG2 MET 20 -1.104 3.515 11.314 153 HG3 MET 20 HG3 MET 20 -0.372 4.440 10.004 154 HE1 MET 20 HE1 MET 20 1.231 3.612 12.565 155 HE2 MET 20 HE2 MET 20 2.067 5.109 12.977 156 HE3 MET 20 HE3 MET 20 1.930 4.611 11.290 157 H ILE 21 H ILE 21 -5.565 4.031 11.447 158 HA ILE 21 HA ILE 21 -6.829 6.399 10.232 159 HB ILE 21 HB ILE 21 -7.569 3.472 10.065 160 HG12 ILE 21 HG12 ILE 21 -7.396 4.013 7.573 161 HG13 ILE 21 HG13 ILE 21 -6.631 5.523 8.056 162 HG21 ILE 21 HG21 ILE 21 -9.464 4.152 8.668 163 HG22 ILE 21 HG22 ILE 21 -9.112 5.843 9.027 164 HG23 ILE 21 HG23 ILE 21 -9.610 4.752 10.321 165 HD11 ILE 21 HD11 ILE 21 -4.853 4.263 9.151 166 HD12 ILE 21 HD12 ILE 21 -4.985 3.855 7.441 167 HD13 ILE 21 HD13 ILE 21 -5.621 2.753 8.664 168 H ALA 22 H ALA 22 -7.526 3.752 12.505 169 HA ALA 22 HA ALA 22 -9.923 4.756 13.523 170 HB1 ALA 22 HB1 ALA 22 -9.549 3.271 15.426 171 HB2 ALA 22 HB2 ALA 22 -7.869 3.056 14.934 172 HB3 ALA 22 HB3 ALA 22 -9.171 2.466 13.901 173 H GLY 23 H GLY 23 -10.211 6.675 14.377 174 HA2 GLY 23 HA2 GLY 23 -9.530 7.735 16.692 175 HA3 GLY 23 HA3 GLY 23 -8.050 8.037 15.787 176 H ARG 24 H ARG 24 -8.145 9.385 13.919 177 HA ARG 24 HA ARG 24 -10.649 10.844 13.480 178 HB2 ARG 24 HB2 ARG 24 -9.138 12.155 15.029 179 HB3 ARG 24 HB3 ARG 24 -7.969 12.237 13.721 180 HG2 ARG 24 HG2 ARG 24 -10.765 13.237 13.347 181 HG3 ARG 24 HG3 ARG 24 -9.537 14.233 14.125 182 HD2 ARG 24 HD2 ARG 24 -8.134 14.086 12.152 183 HD3 ARG 24 HD3 ARG 24 -9.292 13.006 11.382 184 HE ARG 24 HE ARG 24 -10.413 15.543 12.148 185 HH11 ARG 24 HH11 ARG 24 -8.653 13.836 9.657 186 HH12 ARG 24 HH12 ARG 24 -9.170 14.892 8.377 187 HH21 ARG 24 HH21 ARG 24 -11.105 16.933 10.497 188 HH22 ARG 24 HH22 ARG 24 -10.578 16.669 8.857 189 H TRP 25 H TRP 25 -11.012 9.939 11.518 190 HA TRP 25 HA TRP 25 -8.902 10.257 9.495 191 HB2 TRP 25 HB2 TRP 25 -9.532 8.120 8.513 192 HB3 TRP 25 HB3 TRP 25 -9.107 7.893 10.201 193 HD1 TRP 25 HD1 TRP 25 -11.761 7.169 7.755 194 HE1 TRP 25 HE1 TRP 25 -13.836 6.182 8.909 195 HE3 TRP 25 HE3 TRP 25 -10.545 8.152 12.618 196 HZ2 TRP 25 HZ2 TRP 25 -14.830 5.858 11.518 197 HZ3 TRP 25 HZ3 TRP 25 -12.113 7.468 14.384 198 HH2 TRP 25 HH2 TRP 25 -14.210 6.346 13.847 199 H LYS 26 H LYS 26 -12.392 9.873 10.021 200 HA LYS 26 HA LYS 26 -14.223 10.652 8.950 201 HB2 LYS 26 HB2 LYS 26 -12.288 12.525 7.577 202 HB3 LYS 26 HB3 LYS 26 -14.041 12.643 7.488 203 HG2 LYS 26 HG2 LYS 26 -12.387 12.893 9.996 204 HG3 LYS 26 HG3 LYS 26 -13.110 14.225 9.095 205 HD2 LYS 26 HD2 LYS 26 -14.633 11.978 10.413 206 HD3 LYS 26 HD3 LYS 26 -14.443 13.605 11.068 207 HE2 LYS 26 HE2 LYS 26 -15.755 12.929 8.437 208 HE3 LYS 26 HE3 LYS 26 -16.610 13.278 9.938 209 HZ1 LYS 26 HZ1 LYS 26 -15.765 15.499 9.929 210 HZ2 LYS 26 HZ2 LYS 26 -16.439 15.193 8.404 211 HZ3 LYS 26 HZ3 LYS 26 -14.757 15.179 8.603 212 H HIS 27 H HIS 27 -15.371 9.682 7.436 213 HA HIS 27 HA HIS 27 -15.954 8.443 5.633 214 HB2 HIS 27 HB2 HIS 27 -13.672 9.925 4.311 215 HB3 HIS 27 HB3 HIS 27 -14.799 8.880 3.456 216 HD1 HIS 27 HD1 HIS 27 -17.262 9.729 3.218 217 HD2 HIS 27 HD2 HIS 27 -14.620 12.463 4.908 218 HE1 HIS 27 HE1 HIS 27 -18.419 11.957 3.098 219 HE2 HIS 27 HE2 HIS 27 -16.734 13.623 3.958 220 HA PRO 28 HA PRO 28 -12.715 5.353 6.736 221 HB2 PRO 28 HB2 PRO 28 -14.490 3.343 7.254 222 HB3 PRO 28 HB3 PRO 28 -13.983 4.533 8.456 223 HG2 PRO 28 HG2 PRO 28 -16.483 4.430 6.824 224 HG3 PRO 28 HG3 PRO 28 -16.268 4.891 8.522 225 HD2 PRO 28 HD2 PRO 28 -16.576 6.704 6.521 226 HD3 PRO 28 HD3 PRO 28 -15.634 7.034 7.990 227 H ASN 29 H ASN 29 -15.652 4.828 4.806 228 HA ASN 29 HA ASN 29 -14.757 2.547 3.440 229 HB2 ASN 29 HB2 ASN 29 -16.583 3.231 1.750 230 HB3 ASN 29 HB3 ASN 29 -17.068 2.845 3.394 231 HD21 ASN 29 HD21 ASN 29 -18.977 4.022 3.129 232 HD22 ASN 29 HD22 ASN 29 -18.992 5.752 3.137 233 H ILE 30 H ILE 30 -14.535 5.968 2.615 234 HA ILE 30 HA ILE 30 -13.645 5.658 -0.026 235 HB ILE 30 HB ILE 30 -13.019 7.905 1.899 236 HG12 ILE 30 HG12 ILE 30 -15.424 7.575 1.624 237 HG13 ILE 30 HG13 ILE 30 -14.915 9.055 0.819 238 HG21 ILE 30 HG21 ILE 30 -11.505 7.915 -0.002 239 HG22 ILE 30 HG22 ILE 30 -12.642 9.259 -0.112 240 HG23 ILE 30 HG23 ILE 30 -12.873 7.825 -1.112 241 HD11 ILE 30 HD11 ILE 30 -14.945 7.873 -1.330 242 HD12 ILE 30 HD12 ILE 30 -16.517 7.864 -0.535 243 HD13 ILE 30 HD13 ILE 30 -15.508 6.418 -0.509 244 H VAL 31 H VAL 31 -11.774 6.120 2.975 245 HA VAL 31 HA VAL 31 -9.272 5.915 1.635 246 HB VAL 31 HB VAL 31 -9.536 7.145 3.758 247 HG11 VAL 31 HG11 VAL 31 -11.059 5.691 4.937 248 HG12 VAL 31 HG12 VAL 31 -9.586 5.905 5.884 249 HG13 VAL 31 HG13 VAL 31 -9.847 4.411 4.985 250 HG21 VAL 31 HG21 VAL 31 -7.453 6.402 4.784 251 HG22 VAL 31 HG22 VAL 31 -7.331 6.406 3.024 252 HG23 VAL 31 HG23 VAL 31 -7.547 4.885 3.892 253 H ARG 32 H ARG 32 -11.411 3.610 3.197 254 HA ARG 32 HA ARG 32 -9.509 1.492 3.337 255 HB2 ARG 32 HB2 ARG 32 -11.679 1.650 4.659 256 HB3 ARG 32 HB3 ARG 32 -12.507 1.159 3.185 257 HG2 ARG 32 HG2 ARG 32 -12.179 -0.772 4.563 258 HG3 ARG 32 HG3 ARG 32 -11.117 -0.900 3.157 259 HD2 ARG 32 HD2 ARG 32 -9.304 0.109 4.593 260 HD3 ARG 32 HD3 ARG 32 -10.382 -0.115 5.967 261 HE ARG 32 HE ARG 32 -9.331 -2.328 4.305 262 HH11 ARG 32 HH11 ARG 32 -10.560 -1.097 7.342 263 HH12 ARG 32 HH12 ARG 32 -10.050 -2.481 8.261 264 HH21 ARG 32 HH21 ARG 32 -8.674 -4.147 5.486 265 HH22 ARG 32 HH22 ARG 32 -8.960 -4.222 7.207 266 H SER 33 H SER 33 -11.703 2.672 0.894 267 HA SER 33 HA SER 33 -11.731 0.484 -0.844 268 HB2 SER 33 HB2 SER 33 -13.180 2.489 -1.077 269 HB3 SER 33 HB3 SER 33 -11.773 3.429 -1.566 270 HG SER 33 HG SER 33 -11.742 2.443 -3.474 271 H ARG 34 H ARG 34 -9.399 3.090 -0.424 272 HA ARG 34 HA ARG 34 -7.711 2.455 -2.598 273 HB2 ARG 34 HB2 ARG 34 -6.845 3.638 0.048 274 HB3 ARG 34 HB3 ARG 34 -6.060 3.828 -1.513 275 HG2 ARG 34 HG2 ARG 34 -7.929 5.138 -2.325 276 HG3 ARG 34 HG3 ARG 34 -8.781 4.900 -0.799 277 HD2 ARG 34 HD2 ARG 34 -6.796 5.994 0.325 278 HD3 ARG 34 HD3 ARG 34 -6.245 6.439 -1.288 279 HE ARG 34 HE ARG 34 -8.853 7.311 -1.136 280 HH11 ARG 34 HH11 ARG 34 -5.813 8.007 0.481 281 HH12 ARG 34 HH12 ARG 34 -6.347 9.551 1.078 282 HH21 ARG 34 HH21 ARG 34 -9.522 9.370 -0.382 283 HH22 ARG 34 HH22 ARG 34 -8.437 10.327 0.572 284 H ILE 35 H ILE 35 -7.692 1.514 0.805 285 HA ILE 35 HA ILE 35 -5.366 -0.055 0.751 286 HB ILE 35 HB ILE 35 -7.778 -0.346 2.552 287 HG12 ILE 35 HG12 ILE 35 -5.202 1.195 2.960 288 HG13 ILE 35 HG13 ILE 35 -6.765 1.913 2.585 289 HG21 ILE 35 HG21 ILE 35 -6.360 -2.328 2.595 290 HG22 ILE 35 HG22 ILE 35 -6.238 -1.435 4.112 291 HG23 ILE 35 HG23 ILE 35 -4.947 -1.322 2.916 292 HD11 ILE 35 HD11 ILE 35 -7.654 1.044 4.696 293 HD12 ILE 35 HD12 ILE 35 -6.277 2.119 4.939 294 HD13 ILE 35 HD13 ILE 35 -6.068 0.372 5.074 295 H GLU 36 H GLU 36 -8.788 -1.055 0.527 296 HA GLU 36 HA GLU 36 -8.134 -3.814 0.414 297 HB2 GLU 36 HB2 GLU 36 -10.705 -2.380 -0.239 298 HB3 GLU 36 HB3 GLU 36 -10.534 -4.129 -0.161 299 HG2 GLU 36 HG2 GLU 36 -10.248 -2.147 2.074 300 HG3 GLU 36 HG3 GLU 36 -11.445 -3.431 1.903 301 H LYS 37 H LYS 37 -8.669 -1.415 -2.104 302 HA LYS 37 HA LYS 37 -8.875 -3.544 -4.081 303 HB2 LYS 37 HB2 LYS 37 -10.573 -1.897 -4.278 304 HB3 LYS 37 HB3 LYS 37 -9.413 -0.583 -4.193 305 HG2 LYS 37 HG2 LYS 37 -9.038 -2.455 -6.429 306 HG3 LYS 37 HG3 LYS 37 -10.516 -1.489 -6.473 307 HD2 LYS 37 HD2 LYS 37 -7.759 -0.347 -6.058 308 HD3 LYS 37 HD3 LYS 37 -8.565 -0.439 -7.621 309 HE2 LYS 37 HE2 LYS 37 -10.337 0.990 -6.853 310 HE3 LYS 37 HE3 LYS 37 -9.692 0.974 -5.212 311 HZ1 LYS 37 HZ1 LYS 37 -8.213 2.054 -7.547 312 HZ2 LYS 37 HZ2 LYS 37 -7.798 2.196 -5.907 313 HZ3 LYS 37 HZ3 LYS 37 -9.164 3.006 -6.513 314 H ASP 38 H ASP 38 -6.805 -0.750 -3.322 315 HA ASP 38 HA ASP 38 -5.188 -1.251 -5.671 316 HB2 ASP 38 HB2 ASP 38 -4.860 0.776 -3.453 317 HB3 ASP 38 HB3 ASP 38 -3.850 0.691 -4.892 318 H ILE 39 H ILE 39 -4.836 -1.552 -2.159 319 HA ILE 39 HA ILE 39 -2.074 -2.304 -2.341 320 HB ILE 39 HB ILE 39 -3.961 -2.523 0.007 321 HG12 ILE 39 HG12 ILE 39 -1.910 -0.413 -0.707 322 HG13 ILE 39 HG13 ILE 39 -3.657 -0.219 -0.802 323 HG21 ILE 39 HG21 ILE 39 -0.952 -2.707 -0.103 324 HG22 ILE 39 HG22 ILE 39 -2.066 -4.028 0.252 325 HG23 ILE 39 HG23 ILE 39 -1.923 -2.669 1.369 326 HD11 ILE 39 HD11 ILE 39 -2.067 -0.692 1.709 327 HD12 ILE 39 HD12 ILE 39 -3.817 -0.491 1.616 328 HD13 ILE 39 HD13 ILE 39 -2.752 0.846 1.180 329 H LYS 40 H LYS 40 -5.130 -4.059 -2.069 330 HA LYS 40 HA LYS 40 -3.579 -6.550 -2.369 331 HB2 LYS 40 HB2 LYS 40 -6.263 -6.166 -1.037 332 HB3 LYS 40 HB3 LYS 40 -5.579 -7.736 -1.419 333 HG2 LYS 40 HG2 LYS 40 -4.994 -7.537 0.779 334 HG3 LYS 40 HG3 LYS 40 -3.559 -6.869 0.005 335 HD2 LYS 40 HD2 LYS 40 -4.323 -5.513 1.915 336 HD3 LYS 40 HD3 LYS 40 -4.349 -4.616 0.395 337 HE2 LYS 40 HE2 LYS 40 -6.355 -4.164 1.691 338 HE3 LYS 40 HE3 LYS 40 -6.753 -5.013 0.200 339 HZ1 LYS 40 HZ1 LYS 40 -6.597 -6.207 2.920 340 HZ2 LYS 40 HZ2 LYS 40 -6.901 -7.082 1.497 341 HZ3 LYS 40 HZ3 LYS 40 -8.006 -5.908 2.025 342 HA PRO 41 HA PRO 41 -6.152 -6.341 -6.170 343 HB2 PRO 41 HB2 PRO 41 -3.778 -6.775 -7.724 344 HB3 PRO 41 HB3 PRO 41 -4.806 -5.342 -7.682 345 HG2 PRO 41 HG2 PRO 41 -2.215 -5.431 -6.750 346 HG3 PRO 41 HG3 PRO 41 -3.433 -4.256 -6.227 347 HD2 PRO 41 HD2 PRO 41 -2.505 -6.759 -4.876 348 HD3 PRO 41 HD3 PRO 41 -2.927 -5.183 -4.170 349 H ALA 42 H ALA 42 -3.171 -8.294 -6.012 350 HA ALA 42 HA ALA 42 -4.746 -10.744 -6.093 351 HB1 ALA 42 HB1 ALA 42 -2.584 -10.148 -8.114 352 HB2 ALA 42 HB2 ALA 42 -4.315 -10.212 -8.449 353 HB3 ALA 42 HB3 ALA 42 -3.458 -11.671 -7.949 354 H ILE 43 H ILE 43 -3.020 -9.304 -4.206 355 HA ILE 43 HA ILE 43 -1.106 -11.458 -3.634 356 HB ILE 43 HB ILE 43 0.466 -9.660 -2.771 357 HG12 ILE 43 HG12 ILE 43 -1.161 -7.887 -4.600 358 HG13 ILE 43 HG13 ILE 43 -1.266 -7.843 -2.847 359 HG21 ILE 43 HG21 ILE 43 0.938 -10.924 -4.792 360 HG22 ILE 43 HG22 ILE 43 1.451 -9.247 -4.983 361 HG23 ILE 43 HG23 ILE 43 -0.040 -9.806 -5.741 362 HD11 ILE 43 HD11 ILE 43 0.151 -6.061 -3.676 363 HD12 ILE 43 HD12 ILE 43 1.178 -7.234 -4.500 364 HD13 ILE 43 HD13 ILE 43 1.102 -7.212 -2.739 365 H GLY 44 H GLY 44 -3.807 -10.619 -2.619 366 HA2 GLY 44 HA2 GLY 44 -3.469 -9.301 -0.112 367 HA3 GLY 44 HA3 GLY 44 -4.898 -10.174 -0.640 368 H SER 45 H SER 45 -3.164 -12.596 -1.104 369 HA SER 45 HA SER 45 -3.213 -13.542 1.664 370 HB2 SER 45 HB2 SER 45 -2.899 -15.136 -0.894 371 HB3 SER 45 HB3 SER 45 -3.242 -15.773 0.715 372 HG SER 45 HG SER 45 -5.215 -14.559 0.660 373 H LEU 46 H LEU 46 -1.073 -12.041 -0.146 374 HA LEU 46 HA LEU 46 1.213 -13.803 0.128 375 HB2 LEU 46 HB2 LEU 46 0.861 -12.354 -1.867 376 HB3 LEU 46 HB3 LEU 46 1.033 -10.945 -0.841 377 HG LEU 46 HG LEU 46 3.350 -11.726 -0.300 378 HD11 LEU 46 HD11 LEU 46 2.794 -13.651 -2.552 379 HD12 LEU 46 HD12 LEU 46 3.088 -14.072 -0.866 380 HD13 LEU 46 HD13 LEU 46 4.374 -13.347 -1.829 381 HD21 LEU 46 HD21 LEU 46 2.748 -11.172 -3.202 382 HD22 LEU 46 HD22 LEU 46 4.294 -10.919 -2.390 383 HD23 LEU 46 HD23 LEU 46 2.888 -9.958 -1.930 384 H LYS 47 H LYS 47 3.082 -13.261 1.389 385 HA LYS 47 HA LYS 47 2.377 -11.745 3.774 386 HB2 LYS 47 HB2 LYS 47 4.701 -13.579 3.208 387 HB3 LYS 47 HB3 LYS 47 4.548 -12.643 4.686 388 HG2 LYS 47 HG2 LYS 47 3.694 -14.652 5.347 389 HG3 LYS 47 HG3 LYS 47 2.221 -13.820 4.837 390 HD2 LYS 47 HD2 LYS 47 2.244 -16.056 3.961 391 HD3 LYS 47 HD3 LYS 47 2.412 -14.911 2.634 392 HE2 LYS 47 HE2 LYS 47 4.855 -15.268 2.691 393 HE3 LYS 47 HE3 LYS 47 4.626 -16.480 3.947 394 HZ1 LYS 47 HZ1 LYS 47 4.876 -17.452 1.734 395 HZ2 LYS 47 HZ2 LYS 47 3.489 -16.629 1.205 396 HZ3 LYS 47 HZ3 LYS 47 3.364 -17.821 2.406 397 H VAL 48 H VAL 48 4.748 -10.977 4.707 398 HA VAL 48 HA VAL 48 5.056 -8.518 3.221 399 HB VAL 48 HB VAL 48 6.406 -9.358 5.796 400 HG11 VAL 48 HG11 VAL 48 6.703 -6.958 6.156 401 HG12 VAL 48 HG12 VAL 48 6.003 -6.637 4.569 402 HG13 VAL 48 HG13 VAL 48 7.533 -7.506 4.699 403 HG21 VAL 48 HG21 VAL 48 3.994 -9.418 6.046 404 HG22 VAL 48 HG22 VAL 48 3.863 -7.800 5.354 405 HG23 VAL 48 HG23 VAL 48 4.664 -8.032 6.909 406 H GLU 49 H GLU 49 6.802 -11.470 3.543 407 HA GLU 49 HA GLU 49 9.373 -10.338 2.945 408 HB2 GLU 49 HB2 GLU 49 8.444 -13.198 3.103 409 HB3 GLU 49 HB3 GLU 49 10.111 -12.713 2.829 410 HG2 GLU 49 HG2 GLU 49 10.126 -11.562 4.983 411 HG3 GLU 49 HG3 GLU 49 8.461 -12.074 5.260 412 H ASP 50 H ASP 50 6.749 -10.927 0.987 413 HA ASP 50 HA ASP 50 8.540 -11.360 -1.317 414 HB2 ASP 50 HB2 ASP 50 6.999 -13.289 -0.892 415 HB3 ASP 50 HB3 ASP 50 5.639 -12.211 -1.181 416 H VAL 51 H VAL 51 6.784 -9.034 0.180 417 HA VAL 51 HA VAL 51 5.501 -7.939 -2.144 418 HB VAL 51 HB VAL 51 4.511 -7.478 0.021 419 HG11 VAL 51 HG11 VAL 51 6.472 -7.414 1.430 420 HG12 VAL 51 HG12 VAL 51 5.543 -5.926 1.618 421 HG13 VAL 51 HG13 VAL 51 7.018 -5.929 0.649 422 HG21 VAL 51 HG21 VAL 51 4.238 -5.027 -0.200 423 HG22 VAL 51 HG22 VAL 51 4.071 -5.893 -1.726 424 HG23 VAL 51 HG23 VAL 51 5.559 -5.016 -1.368 425 H LYS 52 H LYS 52 7.295 -8.040 -3.513 426 HA LYS 52 HA LYS 52 9.551 -6.305 -3.119 427 HB2 LYS 52 HB2 LYS 52 8.615 -7.946 -5.475 428 HB3 LYS 52 HB3 LYS 52 10.125 -7.045 -5.446 429 HG2 LYS 52 HG2 LYS 52 11.155 -8.671 -4.358 430 HG3 LYS 52 HG3 LYS 52 9.894 -8.739 -3.128 431 HD2 LYS 52 HD2 LYS 52 8.568 -10.205 -4.537 432 HD3 LYS 52 HD3 LYS 52 9.760 -10.076 -5.832 433 HE2 LYS 52 HE2 LYS 52 11.438 -11.117 -4.395 434 HE3 LYS 52 HE3 LYS 52 10.258 -11.236 -3.094 435 HZ1 LYS 52 HZ1 LYS 52 9.920 -12.536 -5.738 436 HZ2 LYS 52 HZ2 LYS 52 8.980 -12.779 -4.344 437 HZ3 LYS 52 HZ3 LYS 52 10.589 -13.310 -4.386 438 HA PRO 53 HA PRO 53 8.092 -2.543 -4.901 439 HB2 PRO 53 HB2 PRO 53 10.493 -2.539 -6.647 440 HB3 PRO 53 HB3 PRO 53 9.942 -1.323 -5.489 441 HG2 PRO 53 HG2 PRO 53 12.026 -2.899 -4.945 442 HG3 PRO 53 HG3 PRO 53 10.873 -2.431 -3.682 443 HD2 PRO 53 HD2 PRO 53 11.137 -5.021 -5.146 444 HD3 PRO 53 HD3 PRO 53 10.727 -4.723 -3.445 445 H ARG 54 H ARG 54 9.121 -5.131 -6.997 446 HA ARG 54 HA ARG 54 8.192 -4.287 -9.473 447 HB2 ARG 54 HB2 ARG 54 8.177 -7.043 -8.238 448 HB3 ARG 54 HB3 ARG 54 7.813 -6.733 -9.927 449 HG2 ARG 54 HG2 ARG 54 10.421 -6.131 -8.553 450 HG3 ARG 54 HG3 ARG 54 10.100 -7.503 -9.614 451 HD2 ARG 54 HD2 ARG 54 9.357 -5.579 -11.269 452 HD3 ARG 54 HD3 ARG 54 10.456 -4.624 -10.271 453 HE ARG 54 HE ARG 54 11.162 -6.904 -11.978 454 HH11 ARG 54 HH11 ARG 54 12.187 -4.351 -9.804 455 HH12 ARG 54 HH12 ARG 54 13.861 -4.461 -10.273 456 HH21 ARG 54 HH21 ARG 54 13.353 -7.031 -12.595 457 HH22 ARG 54 HH22 ARG 54 14.514 -5.960 -11.878 458 H HIS 55 H HIS 55 6.431 -5.548 -6.707 459 HA HIS 55 HA HIS 55 3.974 -5.989 -8.128 460 HB2 HIS 55 HB2 HIS 55 4.361 -5.690 -5.138 461 HB3 HIS 55 HB3 HIS 55 2.975 -6.397 -5.946 462 HD1 HIS 55 HD1 HIS 55 5.491 -7.872 -7.830 463 HD2 HIS 55 HD2 HIS 55 4.305 -8.321 -3.862 464 HE1 HIS 55 HE1 HIS 55 6.476 -10.059 -7.062 465 HE2 HIS 55 HE2 HIS 55 5.734 -10.325 -4.666 466 H ILE 56 H ILE 56 5.341 -3.457 -6.128 467 HA ILE 56 HA ILE 56 2.979 -1.895 -5.885 468 HB ILE 56 HB ILE 56 5.859 -1.004 -5.615 469 HG12 ILE 56 HG12 ILE 56 5.408 -2.883 -4.129 470 HG13 ILE 56 HG13 ILE 56 5.551 -1.398 -3.196 471 HG21 ILE 56 HG21 ILE 56 3.317 0.209 -4.543 472 HG22 ILE 56 HG22 ILE 56 4.324 0.864 -5.833 473 HG23 ILE 56 HG23 ILE 56 4.950 0.770 -4.186 474 HD11 ILE 56 HD11 ILE 56 3.743 -2.794 -2.374 475 HD12 ILE 56 HD12 ILE 56 2.976 -2.755 -3.962 476 HD13 ILE 56 HD13 ILE 56 3.124 -1.273 -3.017 477 H ASP 57 H ASP 57 5.611 -2.014 -8.202 478 HA ASP 57 HA ASP 57 5.158 0.421 -9.514 479 HB2 ASP 57 HB2 ASP 57 7.172 -0.831 -9.956 480 HB3 ASP 57 HB3 ASP 57 6.245 -2.208 -10.540 481 H ASP 58 H ASP 58 3.768 -2.775 -9.957 482 HA ASP 58 HA ASP 58 2.314 -2.205 -12.323 483 HB2 ASP 58 HB2 ASP 58 2.873 -4.496 -11.503 484 HB3 ASP 58 HB3 ASP 58 1.700 -4.287 -10.209 485 H VAL 59 H VAL 59 1.428 -2.067 -8.887 486 HA VAL 59 HA VAL 59 -1.320 -1.532 -9.422 487 HB VAL 59 HB VAL 59 -1.585 -1.104 -7.061 488 HG11 VAL 59 HG11 VAL 59 -1.431 -3.424 -7.782 489 HG12 VAL 59 HG12 VAL 59 -0.762 -3.219 -6.162 490 HG13 VAL 59 HG13 VAL 59 0.317 -3.388 -7.544 491 HG21 VAL 59 HG21 VAL 59 0.391 0.244 -6.646 492 HG22 VAL 59 HG22 VAL 59 1.422 -1.167 -6.885 493 HG23 VAL 59 HG23 VAL 59 0.313 -1.107 -5.516 494 H LEU 60 H LEU 60 1.512 0.460 -9.197 495 HA LEU 60 HA LEU 60 0.242 2.935 -8.720 496 HB2 LEU 60 HB2 LEU 60 2.786 2.281 -10.203 497 HB3 LEU 60 HB3 LEU 60 2.262 3.915 -9.841 498 HG LEU 60 HG LEU 60 2.958 1.788 -7.815 499 HD11 LEU 60 HD11 LEU 60 4.373 4.320 -8.631 500 HD12 LEU 60 HD12 LEU 60 4.911 2.669 -8.939 501 HD13 LEU 60 HD13 LEU 60 4.837 3.276 -7.286 502 HD21 LEU 60 HD21 LEU 60 2.139 4.664 -7.406 503 HD22 LEU 60 HD22 LEU 60 2.677 3.549 -6.149 504 HD23 LEU 60 HD23 LEU 60 1.169 3.245 -7.011 505 H LYS 61 H LYS 61 1.165 1.329 -11.763 506 HA LYS 61 HA LYS 61 0.015 3.229 -13.494 507 HB2 LYS 61 HB2 LYS 61 0.508 0.270 -13.824 508 HB3 LYS 61 HB3 LYS 61 -0.102 1.280 -15.121 509 HG2 LYS 61 HG2 LYS 61 2.000 1.682 -15.667 510 HG3 LYS 61 HG3 LYS 61 2.135 2.623 -14.178 511 HD2 LYS 61 HD2 LYS 61 3.897 0.987 -14.257 512 HD3 LYS 61 HD3 LYS 61 2.769 0.565 -12.980 513 HE2 LYS 61 HE2 LYS 61 1.885 -1.222 -14.172 514 HE3 LYS 61 HE3 LYS 61 2.478 -0.610 -15.718 515 HZ1 LYS 61 HZ1 LYS 61 4.307 -1.513 -13.566 516 HZ2 LYS 61 HZ2 LYS 61 4.656 -1.254 -15.204 517 HZ3 LYS 61 HZ3 LYS 61 3.697 -2.571 -14.744 518 H ALA 62 H ALA 62 -1.256 0.382 -11.919 519 HA ALA 62 HA ALA 62 -3.733 0.210 -13.191 520 HB1 ALA 62 HB1 ALA 62 -3.101 -0.514 -10.334 521 HB2 ALA 62 HB2 ALA 62 -2.803 -1.535 -11.738 522 HB3 ALA 62 HB3 ALA 62 -4.457 -1.111 -11.292 523 H VAL 63 H VAL 63 -2.822 2.155 -10.338 524 HA VAL 63 HA VAL 63 -5.533 3.080 -10.024 525 HB VAL 63 HB VAL 63 -4.021 2.850 -8.075 526 HG11 VAL 63 HG11 VAL 63 -1.944 3.618 -9.066 527 HG12 VAL 63 HG12 VAL 63 -2.332 4.559 -7.626 528 HG13 VAL 63 HG13 VAL 63 -2.605 5.244 -9.227 529 HG21 VAL 63 HG21 VAL 63 -4.634 4.977 -6.989 530 HG22 VAL 63 HG22 VAL 63 -5.973 4.253 -7.878 531 HG23 VAL 63 HG23 VAL 63 -5.098 5.623 -8.562 532 H MET 64 H MET 64 -2.652 4.187 -11.656 533 HA MET 64 HA MET 64 -3.478 6.883 -12.041 534 HB2 MET 64 HB2 MET 64 -1.492 5.179 -13.549 535 HB3 MET 64 HB3 MET 64 -1.748 6.890 -13.861 536 HG2 MET 64 HG2 MET 64 -1.040 7.423 -11.598 537 HG3 MET 64 HG3 MET 64 -0.820 5.710 -11.252 538 HE1 MET 64 HE1 MET 64 1.492 7.816 -10.719 539 HE2 MET 64 HE2 MET 64 2.878 6.945 -11.379 540 HE3 MET 64 HE3 MET 64 1.659 6.079 -10.448 541 H LYS 65 H LYS 65 -3.874 3.917 -13.904 542 HA LYS 65 HA LYS 65 -4.818 5.156 -16.265 543 HB2 LYS 65 HB2 LYS 65 -5.481 2.947 -16.976 544 HB3 LYS 65 HB3 LYS 65 -3.926 2.852 -16.173 545 HG2 LYS 65 HG2 LYS 65 -4.953 1.974 -14.186 546 HG3 LYS 65 HG3 LYS 65 -6.557 2.176 -14.892 547 HD2 LYS 65 HD2 LYS 65 -4.386 0.397 -15.982 548 HD3 LYS 65 HD3 LYS 65 -5.746 -0.152 -15.007 549 HE2 LYS 65 HE2 LYS 65 -7.290 0.687 -16.731 550 HE3 LYS 65 HE3 LYS 65 -5.908 1.171 -17.713 551 HZ1 LYS 65 HZ1 LYS 65 -6.603 -1.603 -16.900 552 HZ2 LYS 65 HZ2 LYS 65 -5.209 -1.167 -17.761 553 HZ3 LYS 65 HZ3 LYS 65 -6.739 -0.944 -18.459 554 H ARG 66 H ARG 66 -6.445 3.889 -13.421 555 HA ARG 66 HA ARG 66 -9.087 4.217 -14.500 556 HB2 ARG 66 HB2 ARG 66 -8.281 3.910 -11.604 557 HB3 ARG 66 HB3 ARG 66 -9.864 3.596 -12.299 558 HG2 ARG 66 HG2 ARG 66 -9.005 1.712 -13.521 559 HG3 ARG 66 HG3 ARG 66 -7.365 2.070 -12.976 560 HD2 ARG 66 HD2 ARG 66 -8.168 1.773 -10.634 561 HD3 ARG 66 HD3 ARG 66 -9.706 1.226 -11.293 562 HE ARG 66 HE ARG 66 -7.350 -0.177 -12.233 563 HH11 ARG 66 HH11 ARG 66 -10.037 -0.133 -9.989 564 HH12 ARG 66 HH12 ARG 66 -9.909 -1.821 -9.615 565 HH21 ARG 66 HH21 ARG 66 -7.160 -2.375 -11.730 566 HH22 ARG 66 HH22 ARG 66 -8.265 -3.102 -10.590 567 H GLY 67 H GLY 67 -7.006 6.038 -12.318 568 HA2 GLY 67 HA2 GLY 67 -8.947 8.258 -12.485 569 HA3 GLY 67 HA3 GLY 67 -8.088 7.877 -11.000 570 H ALA 68 H ALA 68 -5.947 8.468 -10.774 571 HA ALA 68 HA ALA 68 -4.487 9.746 -12.880 572 HB1 ALA 68 HB1 ALA 68 -4.464 11.996 -11.929 573 HB2 ALA 68 HB2 ALA 68 -5.601 11.490 -10.678 574 HB3 ALA 68 HB3 ALA 68 -6.104 11.518 -12.369 575 HA PRO 69 HA PRO 69 -1.046 8.724 -10.272 576 HB2 PRO 69 HB2 PRO 69 0.560 10.937 -10.697 577 HB3 PRO 69 HB3 PRO 69 0.471 9.528 -11.761 578 HG2 PRO 69 HG2 PRO 69 -0.883 12.183 -12.007 579 HG3 PRO 69 HG3 PRO 69 -0.159 11.168 -13.267 580 HD2 PRO 69 HD2 PRO 69 -2.812 11.277 -12.912 581 HD3 PRO 69 HD3 PRO 69 -2.000 9.765 -13.372 582 H SER 70 H SER 70 -2.710 11.749 -9.899 583 HA SER 70 HA SER 70 -1.499 12.806 -7.634 584 HB2 SER 70 HB2 SER 70 -4.455 12.866 -8.281 585 HB3 SER 70 HB3 SER 70 -3.564 14.028 -7.296 586 HG SER 70 HG SER 70 -2.487 14.732 -9.098 587 H ILE 71 H ILE 71 -3.865 10.212 -7.927 588 HA ILE 71 HA ILE 71 -4.320 9.997 -5.102 589 HB ILE 71 HB ILE 71 -4.941 8.068 -7.353 590 HG12 ILE 71 HG12 ILE 71 -7.329 8.761 -6.721 591 HG13 ILE 71 HG13 ILE 71 -6.593 10.094 -5.843 592 HG21 ILE 71 HG21 ILE 71 -4.665 6.829 -5.288 593 HG22 ILE 71 HG22 ILE 71 -6.368 6.882 -5.743 594 HG23 ILE 71 HG23 ILE 71 -5.767 7.927 -4.455 595 HD11 ILE 71 HD11 ILE 71 -7.370 10.757 -8.059 596 HD12 ILE 71 HD12 ILE 71 -6.298 9.563 -8.789 597 HD13 ILE 71 HD13 ILE 71 -5.620 10.930 -7.906 598 H ALA 72 H ALA 72 -2.146 8.578 -7.438 599 HA ALA 72 HA ALA 72 -1.201 6.422 -5.887 600 HB1 ALA 72 HB1 ALA 72 0.655 6.336 -7.451 601 HB2 ALA 72 HB2 ALA 72 0.241 7.939 -8.058 602 HB3 ALA 72 HB3 ALA 72 -0.864 6.588 -8.313 603 H ASN 73 H ASN 73 -0.340 9.819 -6.015 604 HA ASN 73 HA ASN 73 2.083 9.738 -4.590 605 HB2 ASN 73 HB2 ASN 73 0.005 11.931 -4.390 606 HB3 ASN 73 HB3 ASN 73 1.735 12.076 -4.097 607 HD21 ASN 73 HD21 ASN 73 2.464 10.436 -6.370 608 HD22 ASN 73 HD22 ASN 73 2.153 11.377 -7.777 609 H ASP 74 H ASP 74 -1.250 10.002 -3.526 610 HA ASP 74 HA ASP 74 -0.752 10.144 -0.749 611 HB2 ASP 74 HB2 ASP 74 -2.931 10.727 -1.762 612 HB3 ASP 74 HB3 ASP 74 -3.175 9.041 -2.196 613 H THR 75 H THR 75 -1.313 7.457 -2.962 614 HA THR 75 HA THR 75 -1.386 5.397 -1.049 615 HB THR 75 HB THR 75 -0.434 5.164 -3.908 616 HG1 THR 75 HG1 THR 75 -2.796 5.987 -2.973 617 HG21 THR 75 HG21 THR 75 -1.296 2.894 -3.760 618 HG22 THR 75 HG22 THR 75 -1.822 3.178 -2.102 619 HG23 THR 75 HG23 THR 75 -0.102 3.165 -2.489 620 H LEU 76 H LEU 76 1.310 6.820 -2.874 621 HA LEU 76 HA LEU 76 3.328 5.082 -1.989 622 HB2 LEU 76 HB2 LEU 76 3.492 8.002 -2.733 623 HB3 LEU 76 HB3 LEU 76 4.884 6.961 -2.494 624 HG LEU 76 HG LEU 76 2.770 6.599 -4.619 625 HD11 LEU 76 HD11 LEU 76 4.206 8.533 -5.025 626 HD12 LEU 76 HD12 LEU 76 4.528 7.237 -6.177 627 HD13 LEU 76 HD13 LEU 76 5.634 7.515 -4.832 628 HD21 LEU 76 HD21 LEU 76 4.269 4.876 -5.499 629 HD22 LEU 76 HD22 LEU 76 3.700 4.472 -3.880 630 HD23 LEU 76 HD23 LEU 76 5.334 5.094 -4.111 631 H ARG 77 H ARG 77 2.142 8.127 -0.633 632 HA ARG 77 HA ARG 77 3.846 8.249 1.606 633 HB2 ARG 77 HB2 ARG 77 2.490 10.141 0.832 634 HB3 ARG 77 HB3 ARG 77 1.019 9.270 1.237 635 HG2 ARG 77 HG2 ARG 77 1.706 9.310 3.617 636 HG3 ARG 77 HG3 ARG 77 3.098 10.298 3.161 637 HD2 ARG 77 HD2 ARG 77 1.582 11.997 2.251 638 HD3 ARG 77 HD3 ARG 77 0.200 11.014 2.726 639 HE ARG 77 HE ARG 77 2.054 11.822 4.835 640 HH11 ARG 77 HH11 ARG 77 -1.015 12.311 3.202 641 HH12 ARG 77 HH12 ARG 77 -1.702 13.235 4.512 642 HH21 ARG 77 HH21 ARG 77 1.176 13.048 6.527 643 HH22 ARG 77 HH22 ARG 77 -0.430 13.701 6.386 644 H TRP 78 H TRP 78 0.769 6.693 1.035 645 HA TRP 78 HA TRP 78 0.175 5.867 3.658 646 HB2 TRP 78 HB2 TRP 78 -1.282 5.955 1.523 647 HB3 TRP 78 HB3 TRP 78 -0.610 4.371 1.166 648 HD1 TRP 78 HD1 TRP 78 -1.734 2.333 2.307 649 HE1 TRP 78 HE1 TRP 78 -3.665 2.058 3.989 650 HE3 TRP 78 HE3 TRP 78 -2.326 7.219 3.668 651 HZ2 TRP 78 HZ2 TRP 78 -5.233 3.703 5.664 652 HZ3 TRP 78 HZ3 TRP 78 -4.061 7.786 5.315 653 HH2 TRP 78 HH2 TRP 78 -5.483 6.064 6.292 654 H LEU 79 H LEU 79 1.655 4.098 0.945 655 HA LEU 79 HA LEU 79 2.103 1.710 2.402 656 HB2 LEU 79 HB2 LEU 79 3.426 2.730 -0.112 657 HB3 LEU 79 HB3 LEU 79 3.562 1.093 0.499 658 HG LEU 79 HG LEU 79 1.014 2.411 -0.431 659 HD11 LEU 79 HD11 LEU 79 1.146 0.866 -2.309 660 HD12 LEU 79 HD12 LEU 79 2.686 0.254 -1.708 661 HD13 LEU 79 HD13 LEU 79 2.557 1.924 -2.259 662 HD21 LEU 79 HD21 LEU 79 1.541 -0.416 0.480 663 HD22 LEU 79 HD22 LEU 79 0.028 0.183 -0.200 664 HD23 LEU 79 HD23 LEU 79 0.605 0.799 1.350 665 H LYS 80 H LYS 80 4.032 4.570 1.828 666 HA LYS 80 HA LYS 80 6.542 3.794 2.626 667 HB2 LYS 80 HB2 LYS 80 5.909 6.036 1.773 668 HB3 LYS 80 HB3 LYS 80 5.136 6.385 3.310 669 HG2 LYS 80 HG2 LYS 80 7.337 7.429 3.105 670 HG3 LYS 80 HG3 LYS 80 7.265 6.283 4.446 671 HD2 LYS 80 HD2 LYS 80 8.141 5.192 1.852 672 HD3 LYS 80 HD3 LYS 80 9.236 6.331 2.626 673 HE2 LYS 80 HE2 LYS 80 8.062 4.162 4.277 674 HE3 LYS 80 HE3 LYS 80 9.333 3.743 3.141 675 HZ1 LYS 80 HZ1 LYS 80 10.246 4.253 5.314 676 HZ2 LYS 80 HZ2 LYS 80 9.522 5.783 5.296 677 HZ3 LYS 80 HZ3 LYS 80 10.756 5.414 4.190 678 H ARG 81 H ARG 81 4.130 5.263 4.723 679 HA ARG 81 HA ARG 81 5.337 4.784 7.182 680 HB2 ARG 81 HB2 ARG 81 2.360 4.756 6.697 681 HB3 ARG 81 HB3 ARG 81 3.196 5.218 8.170 682 HG2 ARG 81 HG2 ARG 81 4.063 7.196 7.120 683 HG3 ARG 81 HG3 ARG 81 3.385 6.704 5.565 684 HD2 ARG 81 HD2 ARG 81 1.912 8.318 6.491 685 HD3 ARG 81 HD3 ARG 81 1.125 6.753 6.636 686 HE ARG 81 HE ARG 81 2.578 7.365 9.001 687 HH11 ARG 81 HH11 ARG 81 -0.375 8.178 7.294 688 HH12 ARG 81 HH12 ARG 81 -1.243 8.615 8.735 689 HH21 ARG 81 HH21 ARG 81 1.426 7.948 10.905 690 HH22 ARG 81 HH22 ARG 81 -0.220 8.478 10.775 691 H MET 82 H MET 82 2.931 2.873 5.440 692 HA MET 82 HA MET 82 2.459 0.905 7.339 693 HB2 MET 82 HB2 MET 82 1.087 1.199 5.346 694 HB3 MET 82 HB3 MET 82 2.413 0.649 4.331 695 HG2 MET 82 HG2 MET 82 2.308 -1.552 5.400 696 HG3 MET 82 HG3 MET 82 0.964 -0.996 6.397 697 HE1 MET 82 HE1 MET 82 -1.375 -0.232 5.400 698 HE2 MET 82 HE2 MET 82 -1.811 -0.351 3.695 699 HE3 MET 82 HE3 MET 82 -0.616 0.836 4.219 700 H PHE 83 H PHE 83 4.824 0.780 4.658 701 HA PHE 83 HA PHE 83 5.722 -1.830 5.418 702 HB2 PHE 83 HB2 PHE 83 6.827 0.197 3.476 703 HB3 PHE 83 HB3 PHE 83 7.560 -1.384 3.738 704 HD1 PHE 83 HD1 PHE 83 5.491 -3.270 3.817 705 HD2 PHE 83 HD2 PHE 83 5.692 0.285 1.493 706 HE1 PHE 83 HE1 PHE 83 3.953 -4.265 2.173 707 HE2 PHE 83 HE2 PHE 83 4.150 -0.698 -0.153 708 HZ PHE 83 HZ PHE 83 3.280 -2.976 0.185 709 H ASN 84 H ASN 84 6.612 1.392 6.303 710 HA ASN 84 HA ASN 84 9.227 0.842 7.238 711 HB2 ASN 84 HB2 ASN 84 8.344 3.141 6.846 712 HB3 ASN 84 HB3 ASN 84 7.308 2.952 8.258 713 HD21 ASN 84 HD21 ASN 84 8.186 3.097 10.290 714 HD22 ASN 84 HD22 ASN 84 9.819 3.595 10.589 715 H TYR 85 H TYR 85 6.049 0.388 8.592 716 HA TYR 85 HA TYR 85 6.752 -0.049 11.285 717 HB2 TYR 85 HB2 TYR 85 4.430 0.255 10.608 718 HB3 TYR 85 HB3 TYR 85 4.487 -1.212 9.640 719 HD1 TYR 85 HD1 TYR 85 4.402 0.118 13.079 720 HD2 TYR 85 HD2 TYR 85 4.246 -3.374 10.653 721 HE1 TYR 85 HE1 TYR 85 3.626 -1.188 15.015 722 HE2 TYR 85 HE2 TYR 85 3.469 -4.688 12.578 723 HH TYR 85 HH TYR 85 2.285 -3.328 15.382 724 H ALA 86 H ALA 86 6.793 -2.121 8.452 725 HA ALA 86 HA ALA 86 7.241 -4.568 9.815 726 HB1 ALA 86 HB1 ALA 86 7.860 -5.460 7.631 727 HB2 ALA 86 HB2 ALA 86 7.943 -3.823 6.976 728 HB3 ALA 86 HB3 ALA 86 6.399 -4.477 7.517 729 H ILE 87 H ILE 87 9.310 -1.965 8.801 730 HA ILE 87 HA ILE 87 11.781 -3.374 9.017 731 HB ILE 87 HB ILE 87 11.310 -0.395 9.263 732 HG12 ILE 87 HG12 ILE 87 11.970 -2.046 6.812 733 HG13 ILE 87 HG13 ILE 87 10.406 -1.312 7.155 734 HG21 ILE 87 HG21 ILE 87 13.788 -1.982 8.600 735 HG22 ILE 87 HG22 ILE 87 13.494 -1.054 10.072 736 HG23 ILE 87 HG23 ILE 87 13.659 -0.224 8.524 737 HD11 ILE 87 HD11 ILE 87 11.666 -0.000 5.550 738 HD12 ILE 87 HD12 ILE 87 12.990 0.164 6.705 739 HD13 ILE 87 HD13 ILE 87 11.424 0.902 7.046 740 H LYS 88 H LYS 88 9.888 -1.332 11.200 741 HA LYS 88 HA LYS 88 11.723 -1.291 13.346 742 HB2 LYS 88 HB2 LYS 88 8.737 -1.225 13.693 743 HB3 LYS 88 HB3 LYS 88 9.969 -0.406 14.646 744 HG2 LYS 88 HG2 LYS 88 10.492 0.983 12.654 745 HG3 LYS 88 HG3 LYS 88 9.117 0.239 11.837 746 HD2 LYS 88 HD2 LYS 88 9.049 1.894 14.349 747 HD3 LYS 88 HD3 LYS 88 8.475 2.353 12.752 748 HE2 LYS 88 HE2 LYS 88 6.763 0.640 12.835 749 HE3 LYS 88 HE3 LYS 88 7.359 0.105 14.408 750 HZ1 LYS 88 HZ1 LYS 88 5.400 1.576 14.555 751 HZ2 LYS 88 HZ2 LYS 88 6.305 2.828 13.855 752 HZ3 LYS 88 HZ3 LYS 88 6.753 2.199 15.365 753 H ARG 89 H ARG 89 8.988 -3.367 12.590 754 HA ARG 89 HA ARG 89 9.330 -5.188 14.753 755 HB2 ARG 89 HB2 ARG 89 8.017 -5.433 12.053 756 HB3 ARG 89 HB3 ARG 89 8.067 -6.776 13.181 757 HG2 ARG 89 HG2 ARG 89 6.882 -4.098 13.851 758 HG3 ARG 89 HG3 ARG 89 5.953 -5.439 13.178 759 HD2 ARG 89 HD2 ARG 89 6.846 -6.811 15.140 760 HD3 ARG 89 HD3 ARG 89 7.343 -5.269 15.837 761 HE ARG 89 HE ARG 89 4.679 -4.974 15.154 762 HH11 ARG 89 HH11 ARG 89 6.569 -6.956 17.349 763 HH12 ARG 89 HH12 ARG 89 5.243 -7.221 18.438 764 HH21 ARG 89 HH21 ARG 89 2.950 -5.334 16.578 765 HH22 ARG 89 HH22 ARG 89 3.192 -6.307 18.005 766 H HIS 90 H HIS 90 11.129 -4.624 11.964 767 HA HIS 90 HA HIS 90 12.985 -5.513 11.056 768 HB2 HIS 90 HB2 HIS 90 13.515 -5.849 13.570 769 HB3 HIS 90 HB3 HIS 90 13.157 -7.547 13.262 770 HD1 HIS 90 HD1 HIS 90 15.180 -8.868 12.709 771 HD2 HIS 90 HD2 HIS 90 15.526 -4.906 11.510 772 HE1 HIS 90 HE1 HIS 90 17.486 -8.655 11.726 773 HE2 HIS 90 HE2 HIS 90 17.755 -6.194 11.264 774 H ILE 91 H ILE 91 10.320 -6.567 10.497 775 HA ILE 91 HA ILE 91 10.607 -9.362 9.901 776 HB ILE 91 HB ILE 91 8.672 -7.358 8.710 777 HG12 ILE 91 HG12 ILE 91 8.277 -9.275 11.023 778 HG13 ILE 91 HG13 ILE 91 8.518 -7.538 11.187 779 HG21 ILE 91 HG21 ILE 91 7.327 -9.314 8.129 780 HG22 ILE 91 HG22 ILE 91 8.569 -10.375 8.794 781 HG23 ILE 91 HG23 ILE 91 8.919 -9.393 7.372 782 HD11 ILE 91 HD11 ILE 91 6.207 -8.885 9.809 783 HD12 ILE 91 HD12 ILE 91 6.444 -7.144 9.955 784 HD13 ILE 91 HD13 ILE 91 6.177 -8.122 11.399 785 H ILE 92 H ILE 92 10.414 -6.457 7.866 786 HA ILE 92 HA ILE 92 12.546 -7.587 6.192 787 HB ILE 92 HB ILE 92 11.584 -6.583 4.186 788 HG12 ILE 92 HG12 ILE 92 9.131 -5.941 5.836 789 HG13 ILE 92 HG13 ILE 92 10.347 -4.750 5.388 790 HG21 ILE 92 HG21 ILE 92 9.678 -8.087 3.872 791 HG22 ILE 92 HG22 ILE 92 9.624 -8.369 5.611 792 HG23 ILE 92 HG23 ILE 92 11.025 -8.893 4.678 793 HD11 ILE 92 HD11 ILE 92 9.856 -5.135 3.033 794 HD12 ILE 92 HD12 ILE 92 8.415 -4.646 3.924 795 HD13 ILE 92 HD13 ILE 92 8.647 -6.338 3.481 796 H GLU 93 H GLU 93 14.187 -6.197 5.787 797 HA GLU 93 HA GLU 93 13.857 -3.453 6.799 798 HB2 GLU 93 HB2 GLU 93 15.569 -5.117 7.830 799 HB3 GLU 93 HB3 GLU 93 16.502 -4.825 6.370 800 HG2 GLU 93 HG2 GLU 93 16.671 -2.485 6.881 801 HG3 GLU 93 HG3 GLU 93 15.594 -2.671 8.264 802 H TYR 94 H TYR 94 13.018 -4.343 4.234 803 HA TYR 94 HA TYR 94 15.005 -3.187 2.408 804 HB2 TYR 94 HB2 TYR 94 12.628 -4.960 1.807 805 HB3 TYR 94 HB3 TYR 94 13.760 -4.338 0.611 806 HD1 TYR 94 HD1 TYR 94 16.036 -5.224 0.476 807 HD2 TYR 94 HD2 TYR 94 13.240 -6.780 3.281 808 HE1 TYR 94 HE1 TYR 94 17.485 -7.178 0.831 809 HE2 TYR 94 HE2 TYR 94 14.682 -8.738 3.645 810 HH TYR 94 HH TYR 94 17.904 -8.874 2.526 811 H ASN 95 H ASN 95 11.513 -3.153 3.104 812 HA ASN 95 HA ASN 95 9.880 -1.691 2.764 813 HB2 ASN 95 HB2 ASN 95 11.442 -0.294 4.136 814 HB3 ASN 95 HB3 ASN 95 12.071 0.382 2.633 815 HD21 ASN 95 HD21 ASN 95 10.674 1.546 1.309 816 HD22 ASN 95 HD22 ASN 95 9.273 2.285 1.954 817 HA PRO 96 HA PRO 96 10.439 -2.080 -1.785 818 HB2 PRO 96 HB2 PRO 96 7.725 -2.374 -2.204 819 HB3 PRO 96 HB3 PRO 96 8.852 -3.705 -1.913 820 HG2 PRO 96 HG2 PRO 96 7.024 -2.309 0.001 821 HG3 PRO 96 HG3 PRO 96 7.403 -4.037 -0.132 822 HD2 PRO 96 HD2 PRO 96 8.505 -2.517 1.774 823 HD3 PRO 96 HD3 PRO 96 9.433 -3.804 0.973 824 H ALA 97 H ALA 97 8.389 0.026 0.098 825 HA ALA 97 HA ALA 97 7.546 1.647 -2.111 826 HB1 ALA 97 HB1 ALA 97 6.536 3.079 -0.435 827 HB2 ALA 97 HB2 ALA 97 7.413 2.237 0.842 828 HB3 ALA 97 HB3 ALA 97 6.179 1.385 -0.087 829 H ALA 98 H ALA 98 10.511 1.312 -0.837 830 HA ALA 98 HA ALA 98 11.278 4.073 -0.582 831 HB1 ALA 98 HB1 ALA 98 13.013 1.621 -0.868 832 HB2 ALA 98 HB2 ALA 98 12.453 2.311 0.656 833 HB3 ALA 98 HB3 ALA 98 13.550 3.227 -0.375 834 H ALA 99 H ALA 99 10.681 2.002 -3.172 835 HA ALA 99 HA ALA 99 12.654 3.026 -4.986 836 HB1 ALA 99 HB1 ALA 99 11.721 0.761 -5.211 837 HB2 ALA 99 HB2 ALA 99 11.506 1.721 -6.674 838 HB3 ALA 99 HB3 ALA 99 10.145 1.462 -5.583 839 H PHE 100 H PHE 100 9.259 3.683 -4.310 840 HA PHE 100 HA PHE 100 9.397 5.939 -6.188 841 HB2 PHE 100 HB2 PHE 100 7.055 4.130 -5.580 842 HB3 PHE 100 HB3 PHE 100 6.907 5.648 -6.457 843 HD1 PHE 100 HD1 PHE 100 7.952 5.899 -8.674 844 HD2 PHE 100 HD2 PHE 100 7.895 2.171 -6.625 845 HE1 PHE 100 HE1 PHE 100 8.469 4.736 -10.781 846 HE2 PHE 100 HE2 PHE 100 8.414 1.002 -8.725 847 HZ PHE 100 HZ PHE 100 8.703 2.282 -10.806 848 H ASP 101 H ASP 101 9.575 7.724 -5.028 849 HA ASP 101 HA ASP 101 8.195 7.916 -2.459 850 HB2 ASP 101 HB2 ASP 101 9.608 9.892 -2.066 851 HB3 ASP 101 HB3 ASP 101 10.579 8.476 -2.456 852 HA PRO 102 HA PRO 102 5.062 10.524 -4.146 853 HB2 PRO 102 HB2 PRO 102 4.337 11.870 -1.898 854 HB3 PRO 102 HB3 PRO 102 3.891 10.188 -2.198 855 HG2 PRO 102 HG2 PRO 102 6.103 11.291 -0.512 856 HG3 PRO 102 HG3 PRO 102 4.998 9.946 -0.169 857 HD2 PRO 102 HD2 PRO 102 7.537 9.576 -1.040 858 HD3 PRO 102 HD3 PRO 102 6.216 8.460 -1.434 859 H GLY 103 H GLY 103 4.943 12.464 -5.051 860 HA2 GLY 103 HA2 GLY 103 7.089 14.135 -5.375 861 HA3 GLY 103 HA3 GLY 103 5.424 14.617 -5.655 862 H ASP 104 H ASP 104 8.068 15.611 -4.233 863 HA ASP 104 HA ASP 104 7.303 16.265 -1.583 864 HB2 ASP 104 HB2 ASP 104 9.636 16.268 -2.182 865 HB3 ASP 104 HB3 ASP 104 9.366 17.467 -3.441 866 H ALA 105 H ALA 105 5.507 17.391 -1.222 867 HA ALA 105 HA ALA 105 5.251 20.009 -2.520 868 HB1 ALA 105 HB1 ALA 105 3.697 18.492 -3.636 869 HB2 ALA 105 HB2 ALA 105 2.835 19.716 -2.706 870 HB3 ALA 105 HB3 ALA 105 2.978 18.072 -2.081 871 H GLY 106 H GLY 106 5.688 21.325 -0.874 872 HA2 GLY 106 HA2 GLY 106 4.062 21.018 1.570 873 HA3 GLY 106 HA3 GLY 106 5.784 21.356 1.671 874 H GLY 107 H GLY 107 4.145 23.071 2.907 875 HA2 GLY 107 HA2 GLY 107 4.710 25.565 2.383 876 HA3 GLY 107 HA3 GLY 107 3.583 25.282 1.064 877 H LYS 108 H LYS 108 3.525 24.134 4.403 878 HA LYS 108 HA LYS 108 2.019 24.251 6.055 879 HB2 LYS 108 HB2 LYS 108 2.405 26.753 5.632 880 HB3 LYS 108 HB3 LYS 108 0.847 26.725 4.819 881 HG2 LYS 108 HG2 LYS 108 0.379 27.428 6.994 882 HG3 LYS 108 HG3 LYS 108 -0.079 25.723 6.964 883 HD2 LYS 108 HD2 LYS 108 2.580 26.736 7.964 884 HD3 LYS 108 HD3 LYS 108 1.196 26.437 9.000 885 HE2 LYS 108 HE2 LYS 108 1.198 24.074 8.213 886 HE3 LYS 108 HE3 LYS 108 2.690 24.420 7.341 887 HZ1 LYS 108 HZ1 LYS 108 3.625 25.118 9.557 888 HZ2 LYS 108 HZ2 LYS 108 3.319 23.461 9.369 889 HZ3 LYS 108 HZ3 LYS 108 2.250 24.420 10.270 890 H LEU 109 H LEU 109 0.683 22.609 5.937 891 HA LEU 109 HA LEU 109 -1.505 22.691 3.962 892 HB2 LEU 109 HB2 LEU 109 0.126 20.892 3.590 893 HB3 LEU 109 HB3 LEU 109 -0.138 20.311 5.222 894 HG LEU 109 HG LEU 109 -2.503 19.821 4.614 895 HD11 LEU 109 HD11 LEU 109 -2.756 21.389 2.777 896 HD12 LEU 109 HD12 LEU 109 -3.106 19.745 2.243 897 HD13 LEU 109 HD13 LEU 109 -1.565 20.498 1.831 898 HD21 LEU 109 HD21 LEU 109 -1.994 17.820 3.319 899 HD22 LEU 109 HD22 LEU 109 -0.790 18.080 4.581 900 HD23 LEU 109 HD23 LEU 109 -0.411 18.481 2.905 901 H GLU 110 H GLU 110 -3.524 22.665 4.679 902 HA GLU 110 HA GLU 110 -5.371 22.453 5.971 903 HB2 GLU 110 HB2 GLU 110 -3.658 20.450 7.440 904 HB3 GLU 110 HB3 GLU 110 -5.378 20.677 7.721 905 HG2 GLU 110 HG2 GLU 110 -5.835 20.040 5.407 906 HG3 GLU 110 HG3 GLU 110 -4.109 19.805 5.136 907 H HIS 111 H HIS 111 -3.158 24.366 6.730 908 HA HIS 111 HA HIS 111 -3.936 24.746 9.536 909 HB2 HIS 111 HB2 HIS 111 -1.487 24.379 9.102 910 HB3 HIS 111 HB3 HIS 111 -1.485 25.871 8.166 911 HD1 HIS 111 HD1 HIS 111 -2.023 24.640 11.710 912 HD2 HIS 111 HD2 HIS 111 -1.204 28.154 9.639 913 HE1 HIS 111 HE1 HIS 111 -1.556 26.375 13.471 914 HE2 HIS 111 HE2 HIS 111 -1.226 28.531 12.200 915 H HIS 112 H HIS 112 -5.442 26.159 9.721 916 HA HIS 112 HA HIS 112 -6.968 27.732 9.267 917 HB2 HIS 112 HB2 HIS 112 -6.273 29.965 9.475 918 HB3 HIS 112 HB3 HIS 112 -5.098 29.024 10.367 919 HD1 HIS 112 HD1 HIS 112 -5.453 31.414 7.565 920 HD2 HIS 112 HD2 HIS 112 -2.495 28.980 9.183 921 HE1 HIS 112 HE1 HIS 112 -3.284 32.246 6.600 922 HE2 HIS 112 HE2 HIS 112 -1.560 30.590 7.392 923 H HIS 113 H HIS 113 -7.996 26.941 7.527 924 HA HIS 113 HA HIS 113 -7.285 28.181 4.942 925 HB2 HIS 113 HB2 HIS 113 -7.106 25.626 5.150 926 HB3 HIS 113 HB3 HIS 113 -8.859 25.621 5.279 927 HD1 HIS 113 HD1 HIS 113 -10.040 25.315 3.128 928 HD2 HIS 113 HD2 HIS 113 -6.255 26.948 2.602 929 HE1 HIS 113 HE1 HIS 113 -9.698 25.447 0.641 930 HE2 HIS 113 HE2 HIS 113 -7.321 26.232 0.357 931 H HIS 114 H HIS 114 -8.996 29.024 7.267 932 HA HIS 114 HA HIS 114 -11.731 28.785 6.695 933 HB2 HIS 114 HB2 HIS 114 -10.729 29.560 8.861 934 HB3 HIS 114 HB3 HIS 114 -10.350 31.092 8.086 935 HD1 HIS 114 HD1 HIS 114 -13.087 29.195 9.675 936 HD2 HIS 114 HD2 HIS 114 -12.624 32.728 7.532 937 HE1 HIS 114 HE1 HIS 114 -15.225 30.475 10.010 938 HE2 HIS 114 HE2 HIS 114 -14.972 32.563 8.619 939 H HIS 115 H HIS 115 -9.349 31.195 5.705 940 HA HIS 115 HA HIS 115 -10.986 32.014 3.477 941 HB2 HIS 115 HB2 HIS 115 -11.822 33.308 5.514 942 HB3 HIS 115 HB3 HIS 115 -10.249 34.090 5.550 943 HD1 HIS 115 HD1 HIS 115 -13.118 33.636 3.074 944 HD2 HIS 115 HD2 HIS 115 -10.190 36.397 4.144 945 HE1 HIS 115 HE1 HIS 115 -13.588 35.697 1.708 946 HE2 HIS 115 HE2 HIS 115 -11.875 37.388 2.441 947 H HIS 116 H HIS 116 -9.732 33.213 1.916 948 HA HIS 116 HA HIS 116 -6.922 32.619 2.089 949 HB2 HIS 116 HB2 HIS 116 -8.498 34.139 0.000 950 HB3 HIS 116 HB3 HIS 116 -6.794 33.730 -0.143 951 HD1 HIS 116 HD1 HIS 116 -9.773 32.659 -1.519 952 HD2 HIS 116 HD2 HIS 116 -6.687 30.632 0.406 953 HE1 HIS 116 HE1 HIS 116 -9.952 30.263 -2.277 954 HE2 HIS 116 HE2 HIS 116 -8.052 29.058 -1.133
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