NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
474364 | 2kvm | 16778 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HT1 MET 1 9.598 -17.733 -1.423 2 HA MET 1 HA MET 1 7.708 -15.659 -0.472 3 HB2 MET 1 HB2 MET 1 8.035 -18.263 0.445 4 HB3 MET 1 HB1 MET 1 9.043 -17.308 1.528 5 HG2 MET 1 HG2 MET 1 6.827 -17.555 2.448 6 HG3 MET 1 HG1 MET 1 7.126 -15.869 2.028 7 HE1 MET 1 HE1 MET 1 3.275 -16.328 1.360 8 HE2 MET 1 HE2 MET 1 4.500 -15.475 2.299 9 HE3 MET 1 HE3 MET 1 4.193 -17.187 2.597 10 H GLU 2 HN GLU 2 10.873 -17.156 0.182 11 HA GLU 2 HA GLU 2 11.899 -14.493 0.891 12 HB2 GLU 2 HB2 GLU 2 13.093 -17.175 1.599 13 HB3 GLU 2 HB1 GLU 2 13.558 -15.603 2.238 14 HG2 GLU 2 HG2 GLU 2 11.396 -15.393 3.333 15 HG3 GLU 2 HG1 GLU 2 10.899 -16.950 2.670 16 H LEU 3 HN LEU 3 13.413 -13.577 -0.340 17 HA LEU 3 HA LEU 3 14.375 -15.000 -2.676 18 HB2 LEU 3 HB2 LEU 3 13.532 -12.571 -2.592 19 HB3 LEU 3 HB1 LEU 3 15.091 -12.188 -1.889 20 HG LEU 3 HG LEU 3 14.890 -13.603 -4.534 21 HD11 LEU 3 HD11 LEU 3 15.075 -11.417 -5.623 22 HD12 LEU 3 HD12 LEU 3 14.879 -10.626 -4.059 23 HD13 LEU 3 HD13 LEU 3 13.559 -11.580 -4.737 24 HD21 LEU 3 HD21 LEU 3 17.068 -13.624 -3.493 25 HD22 LEU 3 HD22 LEU 3 16.995 -11.882 -3.229 26 HD23 LEU 3 HD23 LEU 3 17.090 -12.522 -4.869 27 H SER 4 HN SER 4 15.954 -13.008 -0.166 28 HA SER 4 HA SER 4 18.021 -14.969 0.215 29 HB2 SER 4 HB2 SER 4 19.886 -13.456 -0.439 30 HB3 SER 4 HB1 SER 4 18.881 -13.930 -1.808 31 HG SER 4 HG SER 4 19.505 -11.523 -1.195 32 H ALA 5 HN ALA 5 17.001 -14.725 2.310 33 HA ALA 5 HA ALA 5 16.992 -14.037 4.470 34 HB1 ALA 5 HB1 ALA 5 19.359 -12.347 3.683 35 HB2 ALA 5 HB2 ALA 5 19.440 -14.038 4.174 36 HB3 ALA 5 HB3 ALA 5 18.895 -12.813 5.319 37 H ILE 6 HN ILE 6 18.312 -10.992 3.410 38 HA ILE 6 HA ILE 6 17.567 -8.853 3.672 39 HB ILE 6 HB ILE 6 15.072 -10.044 2.452 40 HG12 ILE 6 HG12 ILE 6 17.442 -8.692 1.141 41 HG13 ILE 6 HG11 ILE 6 17.167 -10.430 1.166 42 HG21 ILE 6 HG21 ILE 6 14.634 -7.857 3.425 43 HG22 ILE 6 HG22 ILE 6 14.625 -7.760 1.665 44 HG23 ILE 6 HG23 ILE 6 16.022 -7.182 2.573 45 HD11 ILE 6 HD11 ILE 6 15.093 -10.105 -0.095 46 HD12 ILE 6 HD12 ILE 6 16.503 -9.489 -0.956 47 HD13 ILE 6 HD13 ILE 6 15.408 -8.370 -0.144 48 H GLY 7 HN GLY 7 14.315 -10.145 4.109 49 HA2 GLY 7 HA2 GLY 7 13.171 -10.457 6.160 50 HA3 GLY 7 HA1 GLY 7 14.437 -9.558 6.977 51 H GLU 8 HN GLU 8 14.586 -7.245 5.664 52 HA GLU 8 HA GLU 8 11.908 -6.133 5.376 53 HB2 GLU 8 HB2 GLU 8 13.861 -5.307 7.512 54 HB3 GLU 8 HB1 GLU 8 12.598 -4.228 6.936 55 HG2 GLU 8 HG2 GLU 8 10.900 -5.834 7.626 56 HG3 GLU 8 HG1 GLU 8 12.159 -6.941 8.171 57 H GLN 9 HN GLN 9 12.020 -3.775 4.780 58 HA GLN 9 HA GLN 9 14.497 -2.927 3.539 59 HB2 GLN 9 HB2 GLN 9 12.003 -3.554 1.987 60 HB3 GLN 9 HB1 GLN 9 13.217 -2.439 1.379 61 HG2 GLN 9 HG2 GLN 9 14.872 -4.189 1.376 62 HG3 GLN 9 HG1 GLN 9 13.731 -5.304 2.123 63 HE21 GLN 9 HE21 GLN 9 12.687 -3.055 -0.304 64 HE22 GLN 9 HE22 GLN 9 12.450 -4.212 -1.564 65 H VAL 10 HN VAL 10 11.053 -2.098 3.242 66 HA VAL 10 HA VAL 10 9.876 -0.208 3.703 67 HB VAL 10 HB VAL 10 12.199 0.633 5.427 68 HG11 VAL 10 HG11 VAL 10 9.344 1.504 5.195 69 HG12 VAL 10 HG12 VAL 10 10.810 2.483 5.155 70 HG13 VAL 10 HG13 VAL 10 10.268 1.768 6.674 71 HG21 VAL 10 HG21 VAL 10 9.749 -0.904 6.301 72 HG22 VAL 10 HG22 VAL 10 11.148 -0.461 7.281 73 HG23 VAL 10 HG23 VAL 10 11.319 -1.646 5.987 74 H PHE 11 HN PHE 11 9.591 1.285 2.209 75 HA PHE 11 HA PHE 11 11.798 3.097 1.571 76 HB2 PHE 11 HB2 PHE 11 10.080 1.656 -0.460 77 HB3 PHE 11 HB1 PHE 11 11.124 3.017 -0.847 78 HD1 PHE 11 HD2 PHE 11 13.583 2.475 0.541 79 HD2 PHE 11 HD1 PHE 11 10.932 -0.222 -1.404 80 HE1 PHE 11 HE2 PHE 11 15.453 0.918 0.165 81 HE2 PHE 11 HE1 PHE 11 12.795 -1.786 -1.786 82 HZ PHE 11 HZ PHE 11 15.059 -1.216 -1.001 83 H ALA 12 HN ALA 12 10.163 4.287 -0.589 84 HA ALA 12 HA ALA 12 8.187 5.680 1.096 85 HB1 ALA 12 HB1 ALA 12 8.535 7.582 -0.525 86 HB2 ALA 12 HB2 ALA 12 9.914 6.684 -1.154 87 HB3 ALA 12 HB3 ALA 12 9.898 7.213 0.529 88 H VAL 13 HN VAL 13 6.112 5.461 0.526 89 HA VAL 13 HA VAL 13 5.494 4.292 -2.088 90 HB VAL 13 HB VAL 13 3.387 4.796 -0.039 91 HG11 VAL 13 HG11 VAL 13 3.054 2.294 -1.078 92 HG12 VAL 13 HG12 VAL 13 3.767 3.175 -2.431 93 HG13 VAL 13 HG13 VAL 13 2.284 3.764 -1.678 94 HG21 VAL 13 HG21 VAL 13 3.860 2.573 0.938 95 HG22 VAL 13 HG22 VAL 13 5.062 3.805 1.331 96 HG23 VAL 13 HG23 VAL 13 5.414 2.583 0.108 97 H GLU 14 HN GLU 14 4.576 5.433 -3.681 98 HA GLU 14 HA GLU 14 4.103 8.205 -3.488 99 HB2 GLU 14 HB2 GLU 14 4.517 6.904 -5.622 100 HB3 GLU 14 HB1 GLU 14 2.873 6.293 -5.495 101 HG2 GLU 14 HG2 GLU 14 3.517 9.225 -5.620 102 HG3 GLU 14 HG1 GLU 14 3.242 8.242 -7.055 103 H SER 15 HN SER 15 2.002 5.396 -3.568 104 HA SER 15 HA SER 15 0.242 5.964 -1.580 105 HB2 SER 15 HB2 SER 15 -0.591 7.327 -4.127 106 HB3 SER 15 HB1 SER 15 -1.784 6.713 -2.986 107 HG SER 15 HG SER 15 -0.431 7.991 -1.398 108 H ILE 16 HN ILE 16 -1.736 4.632 -1.672 109 HA ILE 16 HA ILE 16 -1.177 2.116 -2.837 110 HB ILE 16 HB ILE 16 -3.849 3.030 -1.784 111 HG12 ILE 16 HG12 ILE 16 -1.498 1.837 -0.302 112 HG13 ILE 16 HG11 ILE 16 -2.125 3.473 -0.114 113 HG21 ILE 16 HG21 ILE 16 -4.165 0.651 -1.288 114 HG22 ILE 16 HG22 ILE 16 -2.599 0.294 -2.025 115 HG23 ILE 16 HG23 ILE 16 -3.914 0.932 -3.013 116 HD11 ILE 16 HD11 ILE 16 -2.766 1.728 1.620 117 HD12 ILE 16 HD12 ILE 16 -3.846 1.080 0.399 118 HD13 ILE 16 HD13 ILE 16 -4.046 2.736 0.967 119 H ARG 17 HN ARG 17 -2.357 0.970 -4.401 120 HA ARG 17 HA ARG 17 -3.688 2.668 -6.405 121 HB2 ARG 17 HB2 ARG 17 -1.544 0.721 -6.624 122 HB3 ARG 17 HB1 ARG 17 -2.888 0.327 -7.682 123 HG2 ARG 17 HG2 ARG 17 -2.740 2.734 -8.475 124 HG3 ARG 17 HG1 ARG 17 -1.177 2.781 -7.663 125 HD2 ARG 17 HD2 ARG 17 -0.431 0.870 -8.993 126 HD3 ARG 17 HD1 ARG 17 -1.997 0.819 -9.802 127 HE ARG 17 HE ARG 17 -0.027 2.992 -10.078 128 HH11 ARG 17 HH11 ARG 17 -2.728 1.140 -11.270 129 HH12 ARG 17 HH12 ARG 17 -2.764 1.941 -12.805 130 HH21 ARG 17 HH21 ARG 17 -0.071 4.054 -12.094 131 HH22 ARG 17 HH22 ARG 17 -1.254 3.597 -13.274 132 H LYS 18 HN LYS 18 -3.559 -0.591 -4.995 133 HA LYS 18 HA LYS 18 -6.440 -0.848 -5.500 134 HB2 LYS 18 HB2 LYS 18 -4.435 -3.024 -6.008 135 HB3 LYS 18 HB1 LYS 18 -6.164 -3.107 -6.274 136 HG2 LYS 18 HG2 LYS 18 -6.072 -1.654 -8.092 137 HG3 LYS 18 HG1 LYS 18 -4.460 -1.088 -7.665 138 HD2 LYS 18 HD2 LYS 18 -3.558 -3.297 -8.171 139 HD3 LYS 18 HD1 LYS 18 -5.167 -3.843 -8.618 140 HE2 LYS 18 HE2 LYS 18 -5.256 -2.380 -10.474 141 HE3 LYS 18 HE1 LYS 18 -3.821 -1.517 -9.932 142 HZ1 LYS 18 HZ1 LYS 18 -3.885 -4.333 -10.869 143 HZ2 LYS 18 HZ2 LYS 18 -2.506 -3.498 -10.356 144 HZ3 LYS 18 HZ3 LYS 18 -3.314 -3.012 -11.759 145 H LYS 19 HN LYS 19 -7.256 -2.944 -4.397 146 HA LYS 19 HA LYS 19 -5.859 -3.654 -1.955 147 HB2 LYS 19 HB2 LYS 19 -7.067 -1.811 -1.075 148 HB3 LYS 19 HB1 LYS 19 -8.526 -2.257 -1.944 149 HG2 LYS 19 HG2 LYS 19 -8.667 -4.299 -0.554 150 HG3 LYS 19 HG1 LYS 19 -7.273 -3.731 0.361 151 HD2 LYS 19 HD2 LYS 19 -8.558 -1.699 0.946 152 HD3 LYS 19 HD1 LYS 19 -9.960 -2.384 0.123 153 HE2 LYS 19 HE2 LYS 19 -9.665 -4.393 1.648 154 HE3 LYS 19 HE1 LYS 19 -8.562 -3.398 2.583 155 HZ1 LYS 19 HZ1 LYS 19 -10.827 -3.356 3.467 156 HZ2 LYS 19 HZ2 LYS 19 -11.393 -2.708 2.011 157 HZ3 LYS 19 HZ3 LYS 19 -10.323 -1.818 2.973 158 H ARG 20 HN ARG 20 -5.944 -5.816 -1.946 159 HA ARG 20 HA ARG 20 -8.480 -7.076 -2.730 160 HB2 ARG 20 HB2 ARG 20 -7.439 -8.706 -3.992 161 HB3 ARG 20 HB1 ARG 20 -6.441 -7.307 -4.341 162 HG2 ARG 20 HG2 ARG 20 -4.702 -8.070 -2.951 163 HG3 ARG 20 HG1 ARG 20 -5.731 -9.294 -2.205 164 HD2 ARG 20 HD2 ARG 20 -5.922 -10.390 -4.436 165 HD3 ARG 20 HD1 ARG 20 -4.742 -9.234 -5.048 166 HE ARG 20 HE ARG 20 -3.806 -10.640 -2.743 167 HH11 ARG 20 HH11 ARG 20 -4.198 -10.840 -6.201 168 HH12 ARG 20 HH12 ARG 20 -2.921 -11.992 -6.406 169 HH21 ARG 20 HH21 ARG 20 -2.129 -12.158 -3.005 170 HH22 ARG 20 HH22 ARG 20 -1.745 -12.741 -4.590 171 H VAL 21 HN VAL 21 -9.312 -8.502 -1.355 172 HA VAL 21 HA VAL 21 -7.704 -9.194 1.011 173 HB VAL 21 HB VAL 21 -10.687 -8.769 0.788 174 HG11 VAL 21 HG11 VAL 21 -9.135 -9.531 3.254 175 HG12 VAL 21 HG12 VAL 21 -10.053 -10.685 2.282 176 HG13 VAL 21 HG13 VAL 21 -10.884 -9.358 3.092 177 HG21 VAL 21 HG21 VAL 21 -8.806 -7.382 2.654 178 HG22 VAL 21 HG22 VAL 21 -10.388 -6.854 2.069 179 HG23 VAL 21 HG23 VAL 21 -8.992 -6.821 0.989 180 H ARG 22 HN ARG 22 -7.899 -11.304 1.868 181 HA ARG 22 HA ARG 22 -9.270 -13.286 0.192 182 HB2 ARG 22 HB2 ARG 22 -6.797 -13.158 -0.343 183 HB3 ARG 22 HB1 ARG 22 -6.502 -13.712 1.296 184 HG2 ARG 22 HG2 ARG 22 -7.733 -15.757 0.850 185 HG3 ARG 22 HG1 ARG 22 -8.074 -15.200 -0.788 186 HD2 ARG 22 HD2 ARG 22 -5.683 -15.183 -1.285 187 HD3 ARG 22 HD1 ARG 22 -5.332 -15.720 0.358 188 HE ARG 22 HE ARG 22 -7.093 -17.552 -0.810 189 HH11 ARG 22 HH11 ARG 22 -3.805 -16.451 -1.159 190 HH12 ARG 22 HH12 ARG 22 -3.231 -17.963 -1.779 191 HH21 ARG 22 HH21 ARG 22 -6.345 -19.542 -1.625 192 HH22 ARG 22 HH22 ARG 22 -4.674 -19.719 -2.047 193 H LYS 23 HN LYS 23 -10.833 -13.872 1.608 194 HA LYS 23 HA LYS 23 -11.820 -14.783 3.443 195 HB2 LYS 23 HB2 LYS 23 -9.016 -15.777 3.884 196 HB3 LYS 23 HB1 LYS 23 -10.364 -16.229 4.918 197 HG2 LYS 23 HG2 LYS 23 -11.397 -17.462 3.252 198 HG3 LYS 23 HG1 LYS 23 -10.524 -16.633 1.968 199 HD2 LYS 23 HD2 LYS 23 -9.646 -18.859 2.190 200 HD3 LYS 23 HD1 LYS 23 -8.438 -17.702 2.753 201 HE2 LYS 23 HE2 LYS 23 -8.490 -19.511 4.309 202 HE3 LYS 23 HE1 LYS 23 -9.237 -18.109 5.072 203 HZ1 LYS 23 HZ1 LYS 23 -11.406 -19.022 4.590 204 HZ2 LYS 23 HZ2 LYS 23 -10.495 -20.143 5.470 205 HZ3 LYS 23 HZ3 LYS 23 -10.713 -20.352 3.806 206 H GLY 24 HN GLY 24 -9.826 -12.281 3.482 207 HA2 GLY 24 HA2 GLY 24 -10.581 -10.621 5.240 208 HA3 GLY 24 HA1 GLY 24 -9.987 -11.818 6.379 209 H LYS 25 HN LYS 25 -7.846 -12.407 4.252 210 HA LYS 25 HA LYS 25 -5.835 -10.750 5.370 211 HB2 LYS 25 HB2 LYS 25 -5.654 -12.425 2.869 212 HB3 LYS 25 HB1 LYS 25 -4.319 -11.877 3.867 213 HG2 LYS 25 HG2 LYS 25 -4.875 -13.357 5.605 214 HG3 LYS 25 HG1 LYS 25 -6.470 -13.678 4.923 215 HD2 LYS 25 HD2 LYS 25 -5.233 -15.573 4.355 216 HD3 LYS 25 HD1 LYS 25 -5.203 -14.582 2.893 217 HE2 LYS 25 HE2 LYS 25 -2.997 -13.697 3.609 218 HE3 LYS 25 HE1 LYS 25 -3.023 -14.828 4.961 219 HZ1 LYS 25 HZ1 LYS 25 -1.745 -15.730 3.146 220 HZ2 LYS 25 HZ2 LYS 25 -3.043 -15.544 2.078 221 HZ3 LYS 25 HZ3 LYS 25 -3.149 -16.652 3.351 222 H VAL 26 HN VAL 26 -5.956 -8.613 4.950 223 HA VAL 26 HA VAL 26 -6.793 -7.642 2.377 224 HB VAL 26 HB VAL 26 -5.630 -6.085 4.678 225 HG11 VAL 26 HG11 VAL 26 -7.316 -5.180 2.350 226 HG12 VAL 26 HG12 VAL 26 -5.574 -4.936 2.495 227 HG13 VAL 26 HG13 VAL 26 -6.671 -4.158 3.636 228 HG21 VAL 26 HG21 VAL 26 -8.526 -6.199 4.042 229 HG22 VAL 26 HG22 VAL 26 -7.735 -5.804 5.566 230 HG23 VAL 26 HG23 VAL 26 -7.804 -7.479 5.013 231 H GLU 27 HN GLU 27 -5.603 -6.620 0.860 232 HA GLU 27 HA GLU 27 -2.703 -6.435 1.193 233 HB2 GLU 27 HB2 GLU 27 -4.101 -7.785 -1.128 234 HB3 GLU 27 HB1 GLU 27 -2.384 -7.412 -1.074 235 HG2 GLU 27 HG2 GLU 27 -2.063 -8.916 0.774 236 HG3 GLU 27 HG1 GLU 27 -3.797 -9.199 0.888 237 H TYR 28 HN TYR 28 -1.759 -4.792 -0.107 238 HA TYR 28 HA TYR 28 -3.701 -3.079 -1.505 239 HB2 TYR 28 HB2 TYR 28 -1.651 -2.290 0.545 240 HB3 TYR 28 HB1 TYR 28 -2.342 -1.123 -0.567 241 HD1 TYR 28 HD1 TYR 28 -5.034 -1.239 -0.638 242 HD2 TYR 28 HD2 TYR 28 -2.607 -2.445 2.641 243 HE1 TYR 28 HE1 TYR 28 -6.928 -0.927 0.881 244 HE2 TYR 28 HE2 TYR 28 -4.499 -2.120 4.164 245 HH TYR 28 HH TYR 28 -7.690 -1.676 3.070 246 H LEU 29 HN LEU 29 -3.122 -2.956 -3.591 247 HA LEU 29 HA LEU 29 -0.473 -3.461 -4.503 248 HB2 LEU 29 HB2 LEU 29 -2.679 -3.694 -5.835 249 HB3 LEU 29 HB1 LEU 29 -2.587 -1.962 -6.053 250 HG LEU 29 HG LEU 29 -1.704 -3.534 -7.925 251 HD11 LEU 29 HD11 LEU 29 -1.516 -1.075 -7.796 252 HD12 LEU 29 HD12 LEU 29 -0.189 -1.857 -8.646 253 HD13 LEU 29 HD13 LEU 29 0.039 -1.275 -6.996 254 HD21 LEU 29 HD21 LEU 29 0.669 -3.464 -6.090 255 HD22 LEU 29 HD22 LEU 29 0.657 -4.078 -7.741 256 HD23 LEU 29 HD23 LEU 29 -0.273 -4.899 -6.485 257 H VAL 30 HN VAL 30 0.844 -2.056 -3.334 258 HA VAL 30 HA VAL 30 0.364 0.763 -3.274 259 HB VAL 30 HB VAL 30 2.705 0.829 -2.296 260 HG11 VAL 30 HG11 VAL 30 1.971 -0.048 -0.151 261 HG12 VAL 30 HG12 VAL 30 0.664 -0.930 -0.943 262 HG13 VAL 30 HG13 VAL 30 0.663 0.834 -0.939 263 HG21 VAL 30 HG21 VAL 30 3.690 -1.254 -1.579 264 HG22 VAL 30 HG22 VAL 30 3.473 -1.279 -3.330 265 HG23 VAL 30 HG23 VAL 30 2.357 -2.163 -2.290 266 H LYS 31 HN LYS 31 1.047 2.312 -4.570 267 HA LYS 31 HA LYS 31 2.778 1.637 -6.821 268 HB2 LYS 31 HB2 LYS 31 0.647 2.883 -7.214 269 HB3 LYS 31 HB1 LYS 31 1.273 4.201 -6.234 270 HG2 LYS 31 HG2 LYS 31 3.249 4.166 -7.924 271 HG3 LYS 31 HG1 LYS 31 2.105 3.307 -8.956 272 HD2 LYS 31 HD2 LYS 31 1.613 5.999 -7.683 273 HD3 LYS 31 HD1 LYS 31 2.112 5.745 -9.355 274 HE2 LYS 31 HE2 LYS 31 0.063 4.521 -9.803 275 HE3 LYS 31 HE1 LYS 31 -0.427 4.685 -8.118 276 HZ1 LYS 31 HZ1 LYS 31 -0.519 7.078 -8.413 277 HZ2 LYS 31 HZ2 LYS 31 -1.526 6.308 -9.532 278 HZ3 LYS 31 HZ3 LYS 31 -0.032 6.926 -10.027 279 H TRP 32 HN TRP 32 4.854 1.687 -6.216 280 HA TRP 32 HA TRP 32 5.919 3.240 -4.135 281 HB2 TRP 32 HB2 TRP 32 7.264 1.857 -6.461 282 HB3 TRP 32 HB1 TRP 32 8.122 2.536 -5.082 283 HD1 TRP 32 HD1 TRP 32 6.658 -0.620 -6.231 284 HE1 TRP 32 HE1 TRP 32 6.387 -2.281 -4.282 285 HE3 TRP 32 HE3 TRP 32 7.382 2.593 -2.338 286 HZ2 TRP 32 HZ2 TRP 32 6.468 -2.226 -1.457 287 HZ3 TRP 32 HZ3 TRP 32 7.271 1.720 -0.041 288 HH2 TRP 32 HH2 TRP 32 6.816 -0.639 0.387 289 H LYS 33 HN LYS 33 6.847 5.187 -4.033 290 HA LYS 33 HA LYS 33 6.220 7.215 -5.792 291 HB2 LYS 33 HB2 LYS 33 6.858 7.703 -3.537 292 HB3 LYS 33 HB1 LYS 33 8.455 7.022 -3.779 293 HG2 LYS 33 HG2 LYS 33 9.100 9.126 -4.102 294 HG3 LYS 33 HG1 LYS 33 8.370 8.963 -5.698 295 HD2 LYS 33 HD2 LYS 33 6.814 9.841 -3.293 296 HD3 LYS 33 HD1 LYS 33 7.684 10.986 -4.319 297 HE2 LYS 33 HE2 LYS 33 6.383 10.324 -6.233 298 HE3 LYS 33 HE1 LYS 33 5.612 9.039 -5.305 299 HZ1 LYS 33 HZ1 LYS 33 4.177 10.977 -5.528 300 HZ2 LYS 33 HZ2 LYS 33 5.337 11.947 -4.770 301 HZ3 LYS 33 HZ3 LYS 33 4.577 10.707 -3.906 302 H GLY 34 HN GLY 34 9.608 6.259 -5.280 303 HA2 GLY 34 HA2 GLY 34 10.394 7.356 -7.799 304 HA3 GLY 34 HA1 GLY 34 11.419 6.471 -6.684 305 H TRP 35 HN TRP 35 8.486 4.965 -7.808 306 HA TRP 35 HA TRP 35 9.976 3.517 -9.870 307 HB2 TRP 35 HB2 TRP 35 8.475 2.203 -7.610 308 HB3 TRP 35 HB1 TRP 35 9.042 1.354 -9.035 309 HD1 TRP 35 HD1 TRP 35 10.401 3.172 -5.922 310 HE1 TRP 35 HE1 TRP 35 12.777 2.302 -5.454 311 HE3 TRP 35 HE3 TRP 35 11.016 0.228 -10.060 312 HZ2 TRP 35 HZ2 TRP 35 14.661 0.592 -6.674 313 HZ3 TRP 35 HZ3 TRP 35 13.136 -0.992 -10.331 314 HH2 TRP 35 HH2 TRP 35 14.920 -0.812 -8.673 315 HA PRO 36 HA PRO 36 6.231 3.939 -12.166 316 HB2 PRO 36 HB2 PRO 36 6.881 1.439 -13.549 317 HB3 PRO 36 HB1 PRO 36 6.804 3.077 -14.190 318 HG2 PRO 36 HG2 PRO 36 9.133 1.774 -13.880 319 HG3 PRO 36 HG1 PRO 36 8.991 3.523 -13.658 320 HD2 PRO 36 HD2 PRO 36 9.102 1.356 -11.601 321 HD3 PRO 36 HD1 PRO 36 9.900 2.937 -11.612 322 HA PRO 37 HA PRO 37 3.080 1.371 -10.388 323 HB2 PRO 37 HB2 PRO 37 1.837 1.247 -13.084 324 HB3 PRO 37 HB1 PRO 37 1.147 1.795 -11.552 325 HG2 PRO 37 HG2 PRO 37 1.834 3.545 -13.442 326 HG3 PRO 37 HG1 PRO 37 2.100 3.902 -11.725 327 HD2 PRO 37 HD2 PRO 37 4.064 3.046 -13.812 328 HD3 PRO 37 HD1 PRO 37 4.260 4.214 -12.488 329 H LYS 38 HN LYS 38 4.916 0.455 -13.117 330 HA LYS 38 HA LYS 38 3.942 -2.175 -13.518 331 HB2 LYS 38 HB2 LYS 38 6.560 -0.854 -14.189 332 HB3 LYS 38 HB1 LYS 38 6.150 -2.495 -14.676 333 HG2 LYS 38 HG2 LYS 38 5.246 -1.624 -16.493 334 HG3 LYS 38 HG1 LYS 38 3.968 -0.989 -15.469 335 HD2 LYS 38 HD2 LYS 38 4.976 0.738 -16.917 336 HD3 LYS 38 HD1 LYS 38 5.157 1.093 -15.200 337 HE2 LYS 38 HE2 LYS 38 7.427 0.647 -15.213 338 HE3 LYS 38 HE1 LYS 38 7.327 -0.355 -16.659 339 HZ1 LYS 38 HZ1 LYS 38 7.030 2.600 -16.559 340 HZ2 LYS 38 HZ2 LYS 38 6.895 1.654 -17.955 341 HZ3 LYS 38 HZ3 LYS 38 8.376 1.755 -17.143 342 H TYR 39 HN TYR 39 6.239 -0.757 -11.329 343 HA TYR 39 HA TYR 39 7.140 -3.386 -10.444 344 HB2 TYR 39 HB2 TYR 39 8.087 -0.590 -9.833 345 HB3 TYR 39 HB1 TYR 39 8.701 -2.007 -9.003 346 HD1 TYR 39 HD1 TYR 39 8.535 -0.260 -12.199 347 HD2 TYR 39 HD2 TYR 39 10.238 -3.515 -10.074 348 HE1 TYR 39 HE1 TYR 39 10.163 -0.570 -14.000 349 HE2 TYR 39 HE2 TYR 39 11.882 -3.843 -11.875 350 HH TYR 39 HH TYR 39 12.141 -3.340 -14.244 351 H SER 40 HN SER 40 4.518 -1.672 -9.851 352 HA SER 40 HA SER 40 4.341 -1.218 -7.128 353 HB2 SER 40 HB2 SER 40 2.180 -2.297 -8.941 354 HB3 SER 40 HB1 SER 40 1.921 -1.612 -7.341 355 HG SER 40 HG SER 40 1.702 0.165 -8.473 356 H THR 41 HN THR 41 3.378 -2.518 -5.415 357 HA THR 41 HA THR 41 3.538 -5.404 -5.886 358 HB THR 41 HB THR 41 4.880 -5.812 -3.917 359 HG1 THR 41 HG1 THR 41 4.710 -4.290 -2.443 360 HG21 THR 41 HG21 THR 41 5.980 -5.218 -6.134 361 HG22 THR 41 HG22 THR 41 6.986 -5.065 -4.693 362 HG23 THR 41 HG23 THR 41 6.288 -3.627 -5.437 363 H TRP 42 HN TRP 42 2.521 -6.702 -4.268 364 HA TRP 42 HA TRP 42 0.247 -5.337 -3.053 365 HB2 TRP 42 HB2 TRP 42 0.860 -8.224 -3.652 366 HB3 TRP 42 HB1 TRP 42 -0.492 -7.758 -2.625 367 HD1 TRP 42 HD1 TRP 42 0.509 -8.106 -6.221 368 HE1 TRP 42 HE1 TRP 42 -1.464 -7.430 -7.732 369 HE3 TRP 42 HE3 TRP 42 -2.519 -5.968 -2.698 370 HZ2 TRP 42 HZ2 TRP 42 -3.973 -6.158 -7.458 371 HZ3 TRP 42 HZ3 TRP 42 -4.688 -5.049 -3.408 372 HH2 TRP 42 HH2 TRP 42 -5.391 -5.141 -5.747 373 H GLU 43 HN GLU 43 0.845 -4.480 -1.143 374 HA GLU 43 HA GLU 43 2.331 -6.174 0.737 375 HB2 GLU 43 HB2 GLU 43 1.868 -3.187 0.750 376 HB3 GLU 43 HB1 GLU 43 2.781 -4.074 1.964 377 HG2 GLU 43 HG2 GLU 43 3.470 -3.831 -0.955 378 HG3 GLU 43 HG1 GLU 43 4.263 -2.998 0.381 379 HA PRO 44 HA PRO 44 -1.616 -6.987 2.728 380 HB2 PRO 44 HB2 PRO 44 0.266 -7.506 4.985 381 HB3 PRO 44 HB1 PRO 44 -1.095 -8.476 4.409 382 HG2 PRO 44 HG2 PRO 44 1.393 -9.179 3.833 383 HG3 PRO 44 HG1 PRO 44 0.108 -9.346 2.627 384 HD2 PRO 44 HD2 PRO 44 2.296 -7.330 2.802 385 HD3 PRO 44 HD1 PRO 44 1.526 -8.041 1.369 386 H GLU 45 HN GLU 45 -2.891 -5.977 4.169 387 HA GLU 45 HA GLU 45 -2.451 -3.289 4.728 388 HB2 GLU 45 HB2 GLU 45 -4.660 -4.266 4.567 389 HB3 GLU 45 HB1 GLU 45 -4.373 -5.257 5.984 390 HG2 GLU 45 HG2 GLU 45 -4.224 -2.286 6.179 391 HG3 GLU 45 HG1 GLU 45 -5.786 -3.086 6.146 392 H GLU 46 HN GLU 46 -1.238 -6.027 6.306 393 HA GLU 46 HA GLU 46 -0.905 -4.744 8.888 394 HB2 GLU 46 HB2 GLU 46 0.129 -7.410 7.905 395 HB3 GLU 46 HB1 GLU 46 0.135 -6.845 9.570 396 HG2 GLU 46 HG2 GLU 46 -2.285 -6.843 9.609 397 HG3 GLU 46 HG1 GLU 46 -2.330 -7.330 7.915 398 H HIS 47 HN HIS 47 0.966 -5.429 6.011 399 HA HIS 47 HA HIS 47 3.489 -4.759 7.243 400 HB2 HIS 47 HB2 HIS 47 2.701 -5.307 4.381 401 HB3 HIS 47 HB1 HIS 47 4.337 -4.877 4.860 402 HD1 HIS 47 HD1 HIS 47 1.758 -7.575 5.545 403 HD2 HIS 47 HD2 HIS 47 5.868 -6.983 5.651 404 HE1 HIS 47 HE1 HIS 47 2.748 -9.830 6.055 405 HE2 HIS 47 HE2 HIS 47 5.236 -9.440 6.148 406 H ILE 48 HN ILE 48 1.042 -3.085 5.358 407 HA ILE 48 HA ILE 48 2.485 -0.855 4.505 408 HB ILE 48 HB ILE 48 -0.332 -0.741 5.613 409 HG12 ILE 48 HG12 ILE 48 0.043 -2.558 3.875 410 HG13 ILE 48 HG11 ILE 48 -1.187 -1.364 3.490 411 HG21 ILE 48 HG21 ILE 48 -0.521 1.068 3.845 412 HG22 ILE 48 HG22 ILE 48 1.238 1.002 3.741 413 HG23 ILE 48 HG23 ILE 48 0.461 1.442 5.261 414 HD11 ILE 48 HD11 ILE 48 -0.020 -0.523 1.752 415 HD12 ILE 48 HD12 ILE 48 0.634 -2.161 1.742 416 HD13 ILE 48 HD13 ILE 48 1.547 -0.851 2.493 417 H LEU 49 HN LEU 49 3.925 0.019 5.800 418 HA LEU 49 HA LEU 49 3.677 0.263 8.614 419 HB2 LEU 49 HB2 LEU 49 5.569 1.781 6.856 420 HB3 LEU 49 HB1 LEU 49 5.799 1.332 8.525 421 HG LEU 49 HG LEU 49 5.559 -0.745 6.380 422 HD11 LEU 49 HD11 LEU 49 7.269 0.708 5.619 423 HD12 LEU 49 HD12 LEU 49 8.013 -0.750 6.271 424 HD13 LEU 49 HD13 LEU 49 8.025 0.746 7.209 425 HD21 LEU 49 HD21 LEU 49 5.374 -1.510 8.627 426 HD22 LEU 49 HD22 LEU 49 6.843 -0.665 9.096 427 HD23 LEU 49 HD23 LEU 49 6.921 -2.028 7.976 428 H ASP 50 HN ASP 50 2.011 1.898 6.347 429 HA ASP 50 HA ASP 50 1.748 4.235 8.093 430 HB2 ASP 50 HB2 ASP 50 3.247 4.914 6.290 431 HB3 ASP 50 HB1 ASP 50 2.081 4.357 5.091 432 HA PRO 51 HA PRO 51 -2.513 2.825 7.333 433 HB2 PRO 51 HB2 PRO 51 -3.090 4.773 9.449 434 HB3 PRO 51 HB1 PRO 51 -3.442 3.047 9.402 435 HG2 PRO 51 HG2 PRO 51 -1.566 4.043 11.032 436 HG3 PRO 51 HG1 PRO 51 -1.355 2.474 10.233 437 HD2 PRO 51 HD2 PRO 51 -0.197 5.134 9.498 438 HD3 PRO 51 HD1 PRO 51 0.574 3.536 9.544 439 H ARG 52 HN ARG 52 -1.069 5.978 7.317 440 HA ARG 52 HA ARG 52 -3.287 7.510 6.527 441 HB2 ARG 52 HB2 ARG 52 -0.376 7.804 6.593 442 HB3 ARG 52 HB1 ARG 52 -1.116 8.651 5.246 443 HG2 ARG 52 HG2 ARG 52 -2.038 8.964 8.086 444 HG3 ARG 52 HG1 ARG 52 -0.806 9.988 7.345 445 HD2 ARG 52 HD2 ARG 52 -3.652 9.645 6.410 446 HD3 ARG 52 HD1 ARG 52 -2.987 11.057 7.231 447 HE ARG 52 HE ARG 52 -1.770 10.265 4.701 448 HH11 ARG 52 HH11 ARG 52 -3.880 12.426 6.443 449 HH12 ARG 52 HH12 ARG 52 -3.861 13.642 5.210 450 HH21 ARG 52 HH21 ARG 52 -1.740 11.858 3.077 451 HH22 ARG 52 HH22 ARG 52 -2.645 13.319 3.295 452 H LEU 53 HN LEU 53 -1.036 5.460 4.817 453 HA LEU 53 HA LEU 53 -1.778 6.083 2.164 454 HB2 LEU 53 HB2 LEU 53 -0.533 3.700 3.507 455 HB3 LEU 53 HB1 LEU 53 -0.967 3.627 1.814 456 HG LEU 53 HG LEU 53 0.827 5.798 2.860 457 HD11 LEU 53 HD11 LEU 53 1.616 3.046 1.914 458 HD12 LEU 53 HD12 LEU 53 1.841 3.700 3.535 459 HD13 LEU 53 HD13 LEU 53 2.728 4.390 2.176 460 HD21 LEU 53 HD21 LEU 53 0.470 4.505 0.159 461 HD22 LEU 53 HD22 LEU 53 1.598 5.808 0.538 462 HD23 LEU 53 HD23 LEU 53 -0.141 6.090 0.638 463 H VAL 54 HN VAL 54 -2.774 3.575 4.423 464 HA VAL 54 HA VAL 54 -4.701 2.278 2.873 465 HB VAL 54 HB VAL 54 -4.423 2.597 5.862 466 HG11 VAL 54 HG11 VAL 54 -6.621 1.533 4.347 467 HG12 VAL 54 HG12 VAL 54 -6.478 1.781 6.084 468 HG13 VAL 54 HG13 VAL 54 -5.889 0.287 5.352 469 HG21 VAL 54 HG21 VAL 54 -3.668 0.455 3.902 470 HG22 VAL 54 HG22 VAL 54 -3.693 0.195 5.645 471 HG23 VAL 54 HG23 VAL 54 -2.601 1.393 4.946 472 H MET 55 HN MET 55 -5.217 4.659 5.455 473 HA MET 55 HA MET 55 -7.921 5.012 5.248 474 HB2 MET 55 HB2 MET 55 -6.300 6.057 6.908 475 HB3 MET 55 HB1 MET 55 -6.030 7.300 5.707 476 HG2 MET 55 HG2 MET 55 -7.705 8.380 6.681 477 HG3 MET 55 HG1 MET 55 -8.748 7.225 5.867 478 HE1 MET 55 HE1 MET 55 -7.748 4.651 7.340 479 HE2 MET 55 HE2 MET 55 -9.507 4.773 7.243 480 HE3 MET 55 HE3 MET 55 -8.731 4.438 8.791 481 H ALA 56 HN ALA 56 -5.434 6.953 3.612 482 HA ALA 56 HA ALA 56 -7.100 8.557 2.083 483 HB1 ALA 56 HB1 ALA 56 -4.380 7.510 1.337 484 HB2 ALA 56 HB2 ALA 56 -4.699 8.942 2.312 485 HB3 ALA 56 HB3 ALA 56 -5.181 8.903 0.614 486 H TYR 57 HN TYR 57 -5.971 5.271 1.495 487 HA TYR 57 HA TYR 57 -6.812 5.042 -1.179 488 HB2 TYR 57 HB2 TYR 57 -5.340 3.381 -0.144 489 HB3 TYR 57 HB1 TYR 57 -6.635 2.892 0.946 490 HD1 TYR 57 HD1 TYR 57 -5.579 2.959 -2.585 491 HD2 TYR 57 HD2 TYR 57 -8.291 1.358 0.258 492 HE1 TYR 57 HE1 TYR 57 -6.390 1.356 -4.277 493 HE2 TYR 57 HE2 TYR 57 -9.112 -0.249 -1.409 494 HH TYR 57 HH TYR 57 -9.209 -0.519 -3.820 495 H GLU 58 HN GLU 58 -8.418 4.054 1.834 496 HA GLU 58 HA GLU 58 -10.884 3.403 0.604 497 HB2 GLU 58 HB2 GLU 58 -10.585 4.177 3.456 498 HB3 GLU 58 HB1 GLU 58 -11.723 3.047 2.761 499 HG2 GLU 58 HG2 GLU 58 -9.911 1.499 2.301 500 HG3 GLU 58 HG1 GLU 58 -8.751 2.641 2.974 501 H GLU 59 HN GLU 59 -9.394 6.317 1.171 502 HA GLU 59 HA GLU 59 -11.716 7.900 1.766 503 HB2 GLU 59 HB2 GLU 59 -10.125 9.349 2.373 504 HB3 GLU 59 HB1 GLU 59 -8.888 8.280 1.723 505 HG2 GLU 59 HG2 GLU 59 -9.049 9.333 -0.430 506 HG3 GLU 59 HG1 GLU 59 -10.393 10.332 0.121 507 H LYS 60 HN LYS 60 -9.778 7.132 -1.076 508 HA LYS 60 HA LYS 60 -11.228 8.793 -2.867 509 HB2 LYS 60 HB2 LYS 60 -9.657 6.319 -3.578 510 HB3 LYS 60 HB1 LYS 60 -10.003 7.700 -4.606 511 HG2 LYS 60 HG2 LYS 60 -8.251 8.825 -3.857 512 HG3 LYS 60 HG1 LYS 60 -8.614 8.441 -2.172 513 HD2 LYS 60 HD2 LYS 60 -6.588 7.390 -2.491 514 HD3 LYS 60 HD1 LYS 60 -7.728 6.083 -2.802 515 HE2 LYS 60 HE2 LYS 60 -6.077 6.019 -4.524 516 HE3 LYS 60 HE1 LYS 60 -7.570 6.634 -5.232 517 HZ1 LYS 60 HZ1 LYS 60 -5.652 7.908 -5.958 518 HZ2 LYS 60 HZ2 LYS 60 -5.270 8.295 -4.357 519 HZ3 LYS 60 HZ3 LYS 60 -6.700 8.875 -5.048 520 H GLU 61 HN GLU 61 -11.343 5.374 -1.989 521 HA GLU 61 HA GLU 61 -13.334 4.596 -3.805 522 HB2 GLU 61 HB2 GLU 61 -12.620 3.464 -1.103 523 HB3 GLU 61 HB1 GLU 61 -13.689 2.681 -2.259 524 HG2 GLU 61 HG2 GLU 61 -10.798 3.356 -2.738 525 HG3 GLU 61 HG1 GLU 61 -11.429 1.769 -2.313 526 H GLU 62 HN GLU 62 -13.621 5.497 -0.370 527 HA GLU 62 HA GLU 62 -16.370 5.227 -0.150 528 HB2 GLU 62 HB2 GLU 62 -16.275 6.690 1.762 529 HB3 GLU 62 HB1 GLU 62 -14.852 5.659 1.760 530 HG2 GLU 62 HG2 GLU 62 -13.468 7.436 1.013 531 HG3 GLU 62 HG1 GLU 62 -14.864 8.463 0.697 532 H ARG 63 HN ARG 63 -14.477 7.927 -1.394 533 HA ARG 63 HA ARG 63 -16.509 9.812 -1.653 534 HB2 ARG 63 HB2 ARG 63 -13.898 9.862 -2.130 535 HB3 ARG 63 HB1 ARG 63 -14.497 9.696 -3.767 536 HG2 ARG 63 HG2 ARG 63 -15.575 11.732 -3.744 537 HG3 ARG 63 HG1 ARG 63 -15.644 11.780 -1.980 538 HD2 ARG 63 HD2 ARG 63 -13.140 11.939 -2.011 539 HD3 ARG 63 HD1 ARG 63 -13.248 12.193 -3.751 540 HE ARG 63 HE ARG 63 -14.830 13.989 -2.113 541 HH11 ARG 63 HH11 ARG 63 -11.839 13.448 -3.820 542 HH12 ARG 63 HH12 ARG 63 -11.442 15.131 -3.919 543 HH21 ARG 63 HH21 ARG 63 -14.312 16.206 -2.237 544 HH22 ARG 63 HH22 ARG 63 -12.847 16.698 -3.019 545 H ASP 64 HN ASP 64 -15.422 7.335 -3.943 546 HA ASP 64 HA ASP 64 -17.548 8.034 -5.798 547 HB2 ASP 64 HB2 ASP 64 -15.227 7.445 -6.557 548 HB3 ASP 64 HB1 ASP 64 -15.543 5.803 -6.032 549 H ARG 65 HN ARG 65 -16.423 4.973 -4.395 550 HA ARG 65 HA ARG 65 -18.437 3.287 -4.953 551 HB2 ARG 65 HB2 ARG 65 -17.025 3.496 -2.296 552 HB3 ARG 65 HB1 ARG 65 -17.954 2.104 -2.833 553 HG2 ARG 65 HG2 ARG 65 -16.321 2.174 -4.874 554 HG3 ARG 65 HG1 ARG 65 -15.299 3.085 -3.758 555 HD2 ARG 65 HD2 ARG 65 -14.772 0.711 -3.678 556 HD3 ARG 65 HD1 ARG 65 -15.432 1.273 -2.143 557 HE ARG 65 HE ARG 65 -17.591 0.318 -3.526 558 HH11 ARG 65 HH11 ARG 65 -14.528 -0.984 -2.497 559 HH12 ARG 65 HH12 ARG 65 -15.121 -2.604 -2.345 560 HH21 ARG 65 HH21 ARG 65 -18.381 -1.813 -3.329 561 HH22 ARG 65 HH22 ARG 65 -17.311 -3.076 -2.821 562 H ALA 66 HN ALA 66 -18.641 5.899 -2.610 563 HA ALA 66 HA ALA 66 -20.823 5.123 -1.111 564 HB1 ALA 66 HB1 ALA 66 -19.894 7.086 -0.394 565 HB2 ALA 66 HB2 ALA 66 -21.367 7.674 -1.163 566 HB3 ALA 66 HB3 ALA 66 -19.823 7.782 -2.012 567 H SER 67 HN SER 67 -22.389 4.024 -2.159 568 HA SER 67 HA SER 67 -24.170 5.612 -3.852 569 HB2 SER 67 HB2 SER 67 -23.194 2.835 -4.561 570 HB3 SER 67 HB1 SER 67 -24.468 3.708 -5.411 571 HG SER 67 HG SER 67 -21.874 4.781 -5.080 572 H GLY 68 HN GLY 68 -23.692 2.596 -2.042 573 HA2 GLY 68 HA2 GLY 68 -26.441 2.852 -1.050 574 HA3 GLY 68 HA1 GLY 68 -25.976 1.343 -1.819 575 H TYR 69 HN TYR 69 -26.905 1.448 0.794 576 HA TYR 69 HA TYR 69 -24.480 0.993 2.398 577 HB2 TYR 69 HB2 TYR 69 -26.046 2.717 3.259 578 HB3 TYR 69 HB1 TYR 69 -27.305 1.490 3.359 579 HD1 TYR 69 HD2 TYR 69 -24.204 2.748 4.841 580 HD2 TYR 69 HD1 TYR 69 -27.246 -0.214 5.093 581 HE1 TYR 69 HE2 TYR 69 -23.447 2.170 7.108 582 HE2 TYR 69 HE1 TYR 69 -26.501 -0.799 7.356 583 HH TYR 69 HH TYR 69 -24.434 -0.630 8.718 584 H ARG 70 HN ARG 70 -24.025 -0.991 3.115 585 HA ARG 70 HA ARG 70 -26.019 -2.982 3.596 586 HB2 ARG 70 HB2 ARG 70 -25.440 -2.856 0.996 587 HB3 ARG 70 HB1 ARG 70 -24.092 -3.861 1.504 588 HG2 ARG 70 HG2 ARG 70 -25.688 -5.452 2.492 589 HG3 ARG 70 HG1 ARG 70 -27.011 -4.443 1.907 590 HD2 ARG 70 HD2 ARG 70 -26.384 -4.818 -0.364 591 HD3 ARG 70 HD1 ARG 70 -24.913 -5.656 0.125 592 HE ARG 70 HE ARG 70 -27.136 -6.981 1.218 593 HH11 ARG 70 HH11 ARG 70 -25.614 -6.387 -1.859 594 HH12 ARG 70 HH12 ARG 70 -26.182 -7.861 -2.569 595 HH21 ARG 70 HH21 ARG 70 -27.886 -8.925 0.291 596 HH22 ARG 70 HH22 ARG 70 -27.471 -9.305 -1.347 597 H LYS 71 HN LYS 71 -24.372 -5.251 3.365 598 HA LYS 71 HA LYS 71 -22.480 -4.704 5.533 599 HB2 LYS 71 HB2 LYS 71 -24.233 -6.448 5.855 600 HB3 LYS 71 HB1 LYS 71 -23.511 -7.368 4.543 601 HG2 LYS 71 HG2 LYS 71 -22.779 -8.276 6.635 602 HG3 LYS 71 HG1 LYS 71 -21.410 -7.496 5.841 603 HD2 LYS 71 HD2 LYS 71 -21.747 -5.508 7.249 604 HD3 LYS 71 HD1 LYS 71 -23.089 -6.320 8.057 605 HE2 LYS 71 HE2 LYS 71 -20.216 -7.238 8.030 606 HE3 LYS 71 HE1 LYS 71 -21.040 -6.457 9.379 607 HZ1 LYS 71 HZ1 LYS 71 -22.556 -8.331 9.496 608 HZ2 LYS 71 HZ2 LYS 71 -20.956 -8.855 9.654 609 HZ3 LYS 71 HZ3 LYS 71 -21.778 -9.078 8.193 610 H1 ALA 15 HT1 ALA 15 15.169 24.160 1.214 611 H2 ALA 15 HT2 ALA 15 14.474 24.822 2.606 612 H3 ALA 15 HT3 ALA 15 14.088 25.455 1.086 613 HA ALA 15 HA ALA 15 12.293 24.091 1.919 614 HB1 ALA 15 HB1 ALA 15 12.672 24.229 -0.491 615 HB2 ALA 15 HB2 ALA 15 12.038 22.649 -0.029 616 HB3 ALA 15 HB3 ALA 15 13.751 22.837 -0.404 617 HA PRO 16 HA PRO 16 14.635 20.934 4.448 618 HB2 PRO 16 HB2 PRO 16 12.195 21.376 6.088 619 HB3 PRO 16 HB1 PRO 16 13.887 21.280 6.590 620 HG2 PRO 16 HG2 PRO 16 12.625 23.624 6.507 621 HG3 PRO 16 HG1 PRO 16 14.321 23.484 6.007 622 HD2 PRO 16 HD2 PRO 16 11.861 23.717 4.325 623 HD3 PRO 16 HD1 PRO 16 13.466 24.436 4.082 624 H ARG 17 HN ARG 17 14.349 18.813 4.141 625 HA ARG 17 HA ARG 17 11.673 17.873 3.346 626 HB2 ARG 17 HB2 ARG 17 13.275 17.673 1.530 627 HB3 ARG 17 HB1 ARG 17 14.396 16.808 2.572 628 HG2 ARG 17 HG2 ARG 17 13.279 15.264 1.098 629 HG3 ARG 17 HG1 ARG 17 12.772 14.971 2.762 630 HD2 ARG 17 HD2 ARG 17 10.855 14.872 1.289 631 HD3 ARG 17 HD1 ARG 17 10.727 16.277 2.346 632 HE ARG 17 HE ARG 17 11.960 17.029 -0.071 633 HH11 ARG 17 HH11 ARG 17 8.859 16.074 1.201 634 HH12 ARG 17 HH12 ARG 17 7.957 16.948 0.008 635 HH21 ARG 17 HH21 ARG 17 10.780 18.181 -1.645 636 HH22 ARG 17 HH22 ARG 17 9.049 18.143 -1.611 637 H LYS 18 HN LYS 18 14.387 17.401 5.454 638 HA LYS 18 HA LYS 18 14.737 16.088 7.273 639 HB2 LYS 18 HB2 LYS 18 11.727 15.809 7.220 640 HB3 LYS 18 HB1 LYS 18 12.769 15.434 8.586 641 HG2 LYS 18 HG2 LYS 18 13.403 17.752 8.794 642 HG3 LYS 18 HG1 LYS 18 12.483 18.163 7.345 643 HD2 LYS 18 HD2 LYS 18 11.268 16.977 9.838 644 HD3 LYS 18 HD1 LYS 18 11.329 18.707 9.496 645 HE2 LYS 18 HE2 LYS 18 10.062 18.309 7.416 646 HE3 LYS 18 HE1 LYS 18 9.955 16.598 7.831 647 HZ1 LYS 18 HZ1 LYS 18 8.839 18.836 9.435 648 HZ2 LYS 18 HZ2 LYS 18 8.729 17.194 9.824 649 HZ3 LYS 18 HZ3 LYS 18 7.947 17.790 8.448 650 H GLN 19 HN GLN 19 14.980 14.851 4.749 651 HA GLN 19 HA GLN 19 15.248 12.815 3.786 652 HB2 GLN 19 HB2 GLN 19 14.900 11.817 6.618 653 HB3 GLN 19 HB1 GLN 19 15.531 10.872 5.276 654 HG2 GLN 19 HG2 GLN 19 17.397 12.474 5.075 655 HG3 GLN 19 HG1 GLN 19 16.782 13.324 6.492 656 HE21 GLN 19 HE21 GLN 19 16.942 12.355 8.518 657 HE22 GLN 19 HE22 GLN 19 17.991 11.016 8.815 658 H LEU 20 HN LEU 20 13.239 11.319 6.224 659 HA LEU 20 HA LEU 20 10.961 11.266 4.377 660 HB2 LEU 20 HB2 LEU 20 12.093 8.827 5.753 661 HB3 LEU 20 HB1 LEU 20 10.646 8.869 4.765 662 HG LEU 20 HG LEU 20 13.425 9.462 3.743 663 HD11 LEU 20 HD11 LEU 20 13.160 7.119 4.459 664 HD12 LEU 20 HD12 LEU 20 13.357 7.278 2.714 665 HD13 LEU 20 HD13 LEU 20 11.760 6.973 3.397 666 HD21 LEU 20 HD21 LEU 20 12.332 9.182 1.532 667 HD22 LEU 20 HD22 LEU 20 11.744 10.577 2.434 668 HD23 LEU 20 HD23 LEU 20 10.773 9.108 2.352 669 H ALA 21 HN ALA 21 9.031 11.502 5.353 670 HA ALA 21 HA ALA 21 8.620 10.775 8.113 671 HB1 ALA 21 HB1 ALA 21 8.025 13.006 8.894 672 HB2 ALA 21 HB2 ALA 21 8.481 13.685 7.332 673 HB3 ALA 21 HB3 ALA 21 9.707 12.953 8.366 674 H THR 22 HN THR 22 7.557 11.431 5.007 675 HA THR 22 HA THR 22 4.765 11.825 5.689 676 HB THR 22 HB THR 22 4.359 11.924 3.296 677 HG1 THR 22 HG1 THR 22 7.088 11.127 3.079 678 HG21 THR 22 HG21 THR 22 6.878 13.428 4.019 679 HG22 THR 22 HG22 THR 22 5.233 13.942 4.394 680 HG23 THR 22 HG23 THR 22 5.763 13.836 2.715 681 H LYS 23 HN LYS 23 3.573 10.326 3.625 682 HA LYS 23 HA LYS 23 3.146 7.867 4.892 683 HB2 LYS 23 HB2 LYS 23 2.569 8.759 2.064 684 HB3 LYS 23 HB1 LYS 23 2.035 7.217 2.715 685 HG2 LYS 23 HG2 LYS 23 0.191 8.653 2.897 686 HG3 LYS 23 HG1 LYS 23 0.856 8.541 4.526 687 HD2 LYS 23 HD2 LYS 23 0.290 10.834 4.057 688 HD3 LYS 23 HD1 LYS 23 2.045 10.682 4.136 689 HE2 LYS 23 HE2 LYS 23 2.178 10.656 1.714 690 HE3 LYS 23 HE1 LYS 23 0.419 10.706 1.595 691 HZ1 LYS 23 HZ1 LYS 23 0.443 12.881 2.639 692 HZ2 LYS 23 HZ2 LYS 23 1.401 12.887 1.246 693 HZ3 LYS 23 HZ3 LYS 23 2.129 12.832 2.772 694 H ALA 24 HN ALA 24 4.090 5.902 4.739 695 HA ALA 24 HA ALA 24 5.754 5.168 2.513 696 HB1 ALA 24 HB1 ALA 24 7.820 4.874 3.820 697 HB2 ALA 24 HB2 ALA 24 7.046 5.668 5.191 698 HB3 ALA 24 HB3 ALA 24 7.333 6.564 3.700 699 H ALA 25 HN ALA 25 6.294 2.968 2.483 700 HA ALA 25 HA ALA 25 5.428 1.311 4.727 701 HB1 ALA 25 HB1 ALA 25 4.068 -0.132 3.321 702 HB2 ALA 25 HB2 ALA 25 4.387 0.900 1.927 703 HB3 ALA 25 HB3 ALA 25 3.454 1.521 3.289 704 H ARG 26 HN ARG 26 5.749 -1.143 3.882 705 HA ARG 26 HA ARG 26 8.540 -1.237 2.959 706 HB2 ARG 26 HB2 ARG 26 8.599 -3.465 4.053 707 HB3 ARG 26 HB1 ARG 26 8.228 -2.160 5.173 708 HG2 ARG 26 HG2 ARG 26 5.912 -2.748 5.198 709 HG3 ARG 26 HG1 ARG 26 6.145 -3.920 3.900 710 HD2 ARG 26 HD2 ARG 26 5.966 -4.990 6.104 711 HD3 ARG 26 HD1 ARG 26 7.527 -5.288 5.339 712 HE ARG 26 HE ARG 26 8.130 -3.200 6.850 713 HH11 ARG 26 HH11 ARG 26 6.250 -6.031 7.625 714 HH12 ARG 26 HH12 ARG 26 6.681 -6.013 9.303 715 HH21 ARG 26 HH21 ARG 26 8.701 -3.172 9.055 716 HH22 ARG 26 HH22 ARG 26 8.073 -4.388 10.115 717 H MLY 27 HN MLY 27 9.127 -3.316 1.811 718 HA MLY 27 HA MLY 27 6.993 -4.075 -0.074 719 HB2 MLY 27 HB2 MLY 27 8.928 -2.647 -0.976 720 HB3 MLY 27 HB1 MLY 27 9.931 -4.074 -0.750 721 HG2 MLY 27 HG2 MLY 27 8.302 -5.317 -2.211 722 HG3 MLY 27 HG1 MLY 27 7.561 -3.757 -2.574 723 HD2 MLY 27 HD2 MLY 27 10.461 -4.443 -3.050 724 HD3 MLY 27 HD1 MLY 27 9.200 -4.487 -4.283 725 HE2 MLY 27 HE2 MLY 27 8.770 -2.068 -3.799 726 HE3 MLY 27 HE1 MLY 27 10.192 -2.083 -2.760 727 HH11 MLY 27 HH11 MLY 27 10.736 -0.221 -4.382 728 HH12 MLY 27 HH12 MLY 27 11.110 -0.669 -6.044 729 HH13 MLY 27 HH13 MLY 27 9.435 -0.656 -5.491 730 HH21 MLY 27 HH21 MLY 27 12.115 -3.636 -4.261 731 HH22 MLY 27 HH22 MLY 27 12.638 -2.289 -5.269 732 HH23 MLY 27 HH23 MLY 27 12.277 -2.024 -3.563 733 HZ MLY 27 HZ MLY 27 10.281 -2.905 -5.574 734 H SER 28 HN SER 28 8.074 -5.239 2.510 735 HA SER 28 HA SER 28 8.458 -7.284 3.416 736 HB2 SER 28 HB2 SER 28 7.497 -8.258 0.715 737 HB3 SER 28 HB1 SER 28 7.673 -9.261 2.154 738 HG SER 28 HG SER 28 6.192 -7.614 3.134 739 H ALA 29 HN ALA 29 9.575 -9.576 2.733 740 HA ALA 29 HA ALA 29 12.290 -8.908 2.323 741 HB1 ALA 29 HB1 ALA 29 11.510 -10.826 3.684 742 HB2 ALA 29 HB2 ALA 29 12.749 -11.258 2.505 743 HB3 ALA 29 HB3 ALA 29 11.060 -11.657 2.195 744 HA PRO 30 HA PRO 30 11.840 -10.976 -2.021 745 HB2 PRO 30 HB2 PRO 30 9.349 -11.291 -3.042 746 HB3 PRO 30 HB1 PRO 30 10.146 -12.531 -2.066 747 HG2 PRO 30 HG2 PRO 30 8.097 -10.507 -1.251 748 HG3 PRO 30 HG1 PRO 30 8.200 -12.227 -0.832 749 HD2 PRO 30 HD2 PRO 30 9.003 -10.262 0.850 750 HD3 PRO 30 HD1 PRO 30 9.770 -11.862 0.813 Start of MODEL 2 1 H MET 1 HT1 MET 1 14.573 -9.622 20.105 2 HA MET 1 HA MET 1 15.657 -11.874 18.517 3 HB2 MET 1 HB2 MET 1 13.574 -11.659 20.618 4 HB3 MET 1 HB1 MET 1 13.187 -12.663 19.227 5 HG2 MET 1 HG2 MET 1 14.140 -13.983 21.029 6 HG3 MET 1 HG1 MET 1 15.194 -13.989 19.617 7 HE1 MET 1 HE1 MET 1 16.249 -15.016 22.312 8 HE2 MET 1 HE2 MET 1 17.779 -14.167 22.535 9 HE3 MET 1 HE3 MET 1 17.351 -14.810 20.950 10 H GLU 2 HN GLU 2 13.824 -12.702 17.065 11 HA GLU 2 HA GLU 2 12.509 -12.391 15.243 12 HB2 GLU 2 HB2 GLU 2 11.564 -9.871 16.607 13 HB3 GLU 2 HB1 GLU 2 10.706 -10.812 15.392 14 HG2 GLU 2 HG2 GLU 2 10.462 -12.651 16.940 15 HG3 GLU 2 HG1 GLU 2 11.416 -11.792 18.151 16 H LEU 3 HN LEU 3 15.172 -10.876 15.663 17 HA LEU 3 HA LEU 3 14.863 -9.126 13.313 18 HB2 LEU 3 HB2 LEU 3 16.203 -8.626 15.914 19 HB3 LEU 3 HB1 LEU 3 17.012 -8.029 14.479 20 HG LEU 3 HG LEU 3 14.872 -6.828 13.893 21 HD11 LEU 3 HD11 LEU 3 13.324 -8.097 15.245 22 HD12 LEU 3 HD12 LEU 3 13.309 -6.407 15.744 23 HD13 LEU 3 HD13 LEU 3 14.164 -7.606 16.715 24 HD21 LEU 3 HD21 LEU 3 16.235 -6.081 16.476 25 HD22 LEU 3 HD22 LEU 3 15.288 -4.999 15.456 26 HD23 LEU 3 HD23 LEU 3 16.797 -5.683 14.853 27 H SER 4 HN SER 4 15.446 -11.783 12.999 28 HA SER 4 HA SER 4 18.251 -11.673 12.129 29 HB2 SER 4 HB2 SER 4 18.185 -13.056 14.139 30 HB3 SER 4 HB1 SER 4 16.895 -14.038 13.445 31 HG SER 4 HG SER 4 19.610 -13.892 12.709 32 H ALA 5 HN ALA 5 15.357 -13.748 11.870 33 HA ALA 5 HA ALA 5 16.008 -14.660 9.264 34 HB1 ALA 5 HB1 ALA 5 13.357 -14.715 10.695 35 HB2 ALA 5 HB2 ALA 5 14.606 -15.958 10.782 36 HB3 ALA 5 HB3 ALA 5 13.777 -15.646 9.257 37 H ILE 6 HN ILE 6 14.279 -11.916 10.477 38 HA ILE 6 HA ILE 6 13.248 -11.271 7.811 39 HB ILE 6 HB ILE 6 12.755 -9.685 10.323 40 HG12 ILE 6 HG12 ILE 6 11.039 -11.935 9.253 41 HG13 ILE 6 HG11 ILE 6 12.116 -12.089 10.638 42 HG21 ILE 6 HG21 ILE 6 12.232 -8.640 8.150 43 HG22 ILE 6 HG22 ILE 6 10.795 -8.905 9.138 44 HG23 ILE 6 HG23 ILE 6 11.149 -9.985 7.788 45 HD11 ILE 6 HD11 ILE 6 9.750 -10.240 10.432 46 HD12 ILE 6 HD12 ILE 6 10.834 -10.375 11.816 47 HD13 ILE 6 HD13 ILE 6 9.827 -11.745 11.348 48 H GLY 7 HN GLY 7 14.112 -9.724 6.571 49 HA2 GLY 7 HA2 GLY 7 16.370 -8.205 7.685 50 HA3 GLY 7 HA1 GLY 7 16.129 -8.564 5.982 51 H GLU 8 HN GLU 8 13.372 -7.814 5.887 52 HA GLU 8 HA GLU 8 12.097 -5.989 5.381 53 HB2 GLU 8 HB2 GLU 8 13.542 -4.595 7.637 54 HB3 GLU 8 HB1 GLU 8 11.924 -4.271 7.032 55 HG2 GLU 8 HG2 GLU 8 11.111 -6.348 7.906 56 HG3 GLU 8 HG1 GLU 8 12.740 -6.836 8.372 57 H GLN 9 HN GLN 9 12.421 -3.346 5.252 58 HA GLN 9 HA GLN 9 14.946 -2.367 4.523 59 HB2 GLN 9 HB2 GLN 9 14.620 -2.159 2.063 60 HB3 GLN 9 HB1 GLN 9 14.833 -3.817 2.603 61 HG2 GLN 9 HG2 GLN 9 12.396 -4.122 2.501 62 HG3 GLN 9 HG1 GLN 9 12.243 -2.497 1.847 63 HE21 GLN 9 HE21 GLN 9 11.312 -3.302 -0.047 64 HE22 GLN 9 HE22 GLN 9 12.253 -4.096 -1.259 65 H VAL 10 HN VAL 10 11.527 -2.115 3.535 66 HA VAL 10 HA VAL 10 10.050 -0.385 3.583 67 HB VAL 10 HB VAL 10 12.018 0.930 5.448 68 HG11 VAL 10 HG11 VAL 10 9.103 1.450 4.914 69 HG12 VAL 10 HG12 VAL 10 10.458 2.536 4.617 70 HG13 VAL 10 HG13 VAL 10 10.000 2.129 6.271 71 HG21 VAL 10 HG21 VAL 10 9.638 -0.816 6.114 72 HG22 VAL 10 HG22 VAL 10 10.703 -0.010 7.268 73 HG23 VAL 10 HG23 VAL 10 11.332 -1.297 6.240 74 H PHE 11 HN PHE 11 9.618 1.196 2.182 75 HA PHE 11 HA PHE 11 11.765 3.009 1.364 76 HB2 PHE 11 HB2 PHE 11 9.986 1.443 -0.515 77 HB3 PHE 11 HB1 PHE 11 10.966 2.814 -1.015 78 HD1 PHE 11 HD2 PHE 11 13.491 2.372 0.352 79 HD2 PHE 11 HD1 PHE 11 10.865 -0.413 -1.498 80 HE1 PHE 11 HE2 PHE 11 15.390 0.857 -0.044 81 HE2 PHE 11 HE1 PHE 11 12.757 -1.937 -1.901 82 HZ PHE 11 HZ PHE 11 15.023 -1.302 -1.173 83 H ALA 12 HN ALA 12 10.237 4.287 -0.665 84 HA ALA 12 HA ALA 12 8.205 5.626 0.995 85 HB1 ALA 12 HB1 ALA 12 8.600 7.453 -0.846 86 HB2 ALA 12 HB2 ALA 12 10.129 6.603 -1.056 87 HB3 ALA 12 HB3 ALA 12 9.708 7.287 0.515 88 H VAL 13 HN VAL 13 6.122 5.566 0.371 89 HA VAL 13 HA VAL 13 5.521 4.433 -2.278 90 HB VAL 13 HB VAL 13 3.403 4.727 -0.209 91 HG11 VAL 13 HG11 VAL 13 2.924 2.391 -1.253 92 HG12 VAL 13 HG12 VAL 13 3.992 2.963 -2.535 93 HG13 VAL 13 HG13 VAL 13 2.525 3.862 -2.141 94 HG21 VAL 13 HG21 VAL 13 3.971 2.521 0.695 95 HG22 VAL 13 HG22 VAL 13 5.149 3.767 1.106 96 HG23 VAL 13 HG23 VAL 13 5.512 2.590 -0.155 97 H GLU 14 HN GLU 14 4.509 5.610 -3.777 98 HA GLU 14 HA GLU 14 3.908 8.338 -3.450 99 HB2 GLU 14 HB2 GLU 14 3.468 6.274 -5.527 100 HB3 GLU 14 HB1 GLU 14 2.305 7.593 -5.536 101 HG2 GLU 14 HG2 GLU 14 4.020 9.216 -5.838 102 HG3 GLU 14 HG1 GLU 14 5.280 8.011 -5.592 103 H SER 15 HN SER 15 1.925 5.434 -3.563 104 HA SER 15 HA SER 15 0.187 5.911 -1.523 105 HB2 SER 15 HB2 SER 15 -0.746 7.886 -2.340 106 HB3 SER 15 HB1 SER 15 -0.656 7.356 -4.019 107 HG SER 15 HG SER 15 -2.405 6.043 -3.690 108 H ILE 16 HN ILE 16 -1.814 4.579 -1.649 109 HA ILE 16 HA ILE 16 -1.232 2.074 -2.833 110 HB ILE 16 HB ILE 16 -3.900 2.976 -1.753 111 HG12 ILE 16 HG12 ILE 16 -1.522 1.779 -0.323 112 HG13 ILE 16 HG11 ILE 16 -2.182 3.395 -0.089 113 HG21 ILE 16 HG21 ILE 16 -4.224 0.592 -1.279 114 HG22 ILE 16 HG22 ILE 16 -2.670 0.235 -2.041 115 HG23 ILE 16 HG23 ILE 16 -3.995 0.891 -3.004 116 HD11 ILE 16 HD11 ILE 16 -2.766 1.661 1.635 117 HD12 ILE 16 HD12 ILE 16 -3.792 0.917 0.421 118 HD13 ILE 16 HD13 ILE 16 -4.108 2.565 0.959 119 H ARG 17 HN ARG 17 -2.503 0.914 -4.356 120 HA ARG 17 HA ARG 17 -3.782 2.614 -6.394 121 HB2 ARG 17 HB2 ARG 17 -1.534 1.035 -6.708 122 HB3 ARG 17 HB1 ARG 17 -2.828 0.027 -7.290 123 HG2 ARG 17 HG2 ARG 17 -3.431 1.548 -8.929 124 HG3 ARG 17 HG1 ARG 17 -2.420 2.818 -8.249 125 HD2 ARG 17 HD2 ARG 17 -0.437 1.482 -8.769 126 HD3 ARG 17 HD1 ARG 17 -1.464 0.229 -9.457 127 HE ARG 17 HE ARG 17 -0.878 2.839 -10.630 128 HH11 ARG 17 HH11 ARG 17 -2.562 -0.208 -10.790 129 HH12 ARG 17 HH12 ARG 17 -2.926 -0.065 -12.477 130 HH21 ARG 17 HH21 ARG 17 -1.357 3.035 -12.856 131 HH22 ARG 17 HH22 ARG 17 -2.243 1.775 -13.650 132 H LYS 18 HN LYS 18 -3.665 -0.614 -4.949 133 HA LYS 18 HA LYS 18 -6.544 -0.874 -5.442 134 HB2 LYS 18 HB2 LYS 18 -4.543 -3.043 -5.995 135 HB3 LYS 18 HB1 LYS 18 -6.275 -3.129 -6.238 136 HG2 LYS 18 HG2 LYS 18 -6.207 -1.609 -8.019 137 HG3 LYS 18 HG1 LYS 18 -4.563 -1.111 -7.632 138 HD2 LYS 18 HD2 LYS 18 -3.774 -3.356 -8.207 139 HD3 LYS 18 HD1 LYS 18 -5.416 -3.805 -8.642 140 HE2 LYS 18 HE2 LYS 18 -3.916 -1.539 -9.895 141 HE3 LYS 18 HE1 LYS 18 -3.974 -3.163 -10.577 142 HZ1 LYS 18 HZ1 LYS 18 -5.622 -1.771 -11.617 143 HZ2 LYS 18 HZ2 LYS 18 -6.287 -1.354 -10.118 144 HZ3 LYS 18 HZ3 LYS 18 -6.404 -2.945 -10.682 145 H LYS 19 HN LYS 19 -7.347 -2.980 -4.357 146 HA LYS 19 HA LYS 19 -5.938 -3.711 -1.931 147 HB2 LYS 19 HB2 LYS 19 -7.140 -1.872 -1.027 148 HB3 LYS 19 HB1 LYS 19 -8.605 -2.311 -1.888 149 HG2 LYS 19 HG2 LYS 19 -8.723 -4.370 -0.517 150 HG3 LYS 19 HG1 LYS 19 -7.330 -3.796 0.395 151 HD2 LYS 19 HD2 LYS 19 -8.640 -1.771 0.983 152 HD3 LYS 19 HD1 LYS 19 -10.039 -2.492 0.188 153 HE2 LYS 19 HE2 LYS 19 -9.711 -4.474 1.719 154 HE3 LYS 19 HE1 LYS 19 -8.567 -3.490 2.612 155 HZ1 LYS 19 HZ1 LYS 19 -10.320 -1.872 3.011 156 HZ2 LYS 19 HZ2 LYS 19 -10.752 -3.391 3.614 157 HZ3 LYS 19 HZ3 LYS 19 -11.427 -2.832 2.165 158 H ARG 20 HN ARG 20 -6.106 -5.868 -1.774 159 HA ARG 20 HA ARG 20 -8.625 -7.113 -2.617 160 HB2 ARG 20 HB2 ARG 20 -7.644 -8.645 -3.995 161 HB3 ARG 20 HB1 ARG 20 -6.523 -7.314 -4.220 162 HG2 ARG 20 HG2 ARG 20 -4.934 -8.309 -2.739 163 HG3 ARG 20 HG1 ARG 20 -6.086 -9.562 -2.267 164 HD2 ARG 20 HD2 ARG 20 -6.118 -10.365 -4.597 165 HD3 ARG 20 HD1 ARG 20 -4.905 -9.157 -5.008 166 HE ARG 20 HE ARG 20 -3.962 -10.720 -2.876 167 HH11 ARG 20 HH11 ARG 20 -4.663 -10.957 -6.280 168 HH12 ARG 20 HH12 ARG 20 -3.487 -12.197 -6.567 169 HH21 ARG 20 HH21 ARG 20 -2.412 -12.353 -3.245 170 HH22 ARG 20 HH22 ARG 20 -2.208 -12.989 -4.843 171 H VAL 21 HN VAL 21 -9.430 -8.575 -1.250 172 HA VAL 21 HA VAL 21 -7.774 -9.285 1.076 173 HB VAL 21 HB VAL 21 -10.764 -8.875 0.923 174 HG11 VAL 21 HG11 VAL 21 -9.150 -9.604 3.358 175 HG12 VAL 21 HG12 VAL 21 -10.061 -10.783 2.409 176 HG13 VAL 21 HG13 VAL 21 -10.904 -9.467 3.227 177 HG21 VAL 21 HG21 VAL 21 -8.873 -7.463 2.754 178 HG22 VAL 21 HG22 VAL 21 -10.452 -6.941 2.153 179 HG23 VAL 21 HG23 VAL 21 -9.051 -6.924 1.081 180 H ARG 22 HN ARG 22 -7.955 -11.397 1.934 181 HA ARG 22 HA ARG 22 -9.366 -13.383 0.290 182 HB2 ARG 22 HB2 ARG 22 -6.810 -13.142 -0.192 183 HB3 ARG 22 HB1 ARG 22 -6.624 -13.979 1.342 184 HG2 ARG 22 HG2 ARG 22 -7.945 -15.845 0.498 185 HG3 ARG 22 HG1 ARG 22 -8.147 -15.009 -1.038 186 HD2 ARG 22 HD2 ARG 22 -5.716 -15.024 -1.351 187 HD3 ARG 22 HD1 ARG 22 -5.552 -15.900 0.166 188 HE ARG 22 HE ARG 22 -7.055 -17.021 -2.100 189 HH11 ARG 22 HH11 ARG 22 -4.586 -17.270 0.346 190 HH12 ARG 22 HH12 ARG 22 -4.241 -18.934 0.010 191 HH21 ARG 22 HH21 ARG 22 -6.607 -19.208 -2.550 192 HH22 ARG 22 HH22 ARG 22 -5.390 -20.035 -1.637 193 H LYS 23 HN LYS 23 -10.873 -13.993 1.765 194 HA LYS 23 HA LYS 23 -11.778 -14.916 3.638 195 HB2 LYS 23 HB2 LYS 23 -8.950 -15.824 4.146 196 HB3 LYS 23 HB1 LYS 23 -10.368 -16.414 4.998 197 HG2 LYS 23 HG2 LYS 23 -11.047 -17.704 3.264 198 HG3 LYS 23 HG1 LYS 23 -10.395 -16.605 2.052 199 HD2 LYS 23 HD2 LYS 23 -9.102 -18.617 1.996 200 HD3 LYS 23 HD1 LYS 23 -8.108 -17.344 2.709 201 HE2 LYS 23 HE2 LYS 23 -7.764 -19.235 4.068 202 HE3 LYS 23 HE1 LYS 23 -8.884 -18.205 4.959 203 HZ1 LYS 23 HZ1 LYS 23 -9.592 -20.501 5.028 204 HZ2 LYS 23 HZ2 LYS 23 -9.624 -20.580 3.340 205 HZ3 LYS 23 HZ3 LYS 23 -10.713 -19.578 4.158 206 H GLY 24 HN GLY 24 -9.796 -12.387 3.605 207 HA2 GLY 24 HA2 GLY 24 -10.515 -10.728 5.384 208 HA3 GLY 24 HA1 GLY 24 -9.882 -11.921 6.505 209 H LYS 25 HN LYS 25 -7.807 -12.453 4.258 210 HA LYS 25 HA LYS 25 -5.771 -10.796 5.358 211 HB2 LYS 25 HB2 LYS 25 -5.664 -12.505 2.877 212 HB3 LYS 25 HB1 LYS 25 -4.289 -11.878 3.766 213 HG2 LYS 25 HG2 LYS 25 -4.813 -13.268 5.656 214 HG3 LYS 25 HG1 LYS 25 -6.300 -13.813 4.881 215 HD2 LYS 25 HD2 LYS 25 -4.737 -15.538 4.526 216 HD3 LYS 25 HD1 LYS 25 -4.845 -14.657 2.998 217 HE2 LYS 25 HE2 LYS 25 -2.524 -15.156 3.542 218 HE3 LYS 25 HE1 LYS 25 -2.822 -13.418 3.570 219 HZ1 LYS 25 HZ1 LYS 25 -1.486 -14.103 5.455 220 HZ2 LYS 25 HZ2 LYS 25 -2.686 -15.187 5.951 221 HZ3 LYS 25 HZ3 LYS 25 -2.986 -13.522 5.981 222 H VAL 26 HN VAL 26 -5.880 -8.665 4.942 223 HA VAL 26 HA VAL 26 -6.762 -7.690 2.375 224 HB VAL 26 HB VAL 26 -5.628 -6.124 4.678 225 HG11 VAL 26 HG11 VAL 26 -7.384 -5.257 2.389 226 HG12 VAL 26 HG12 VAL 26 -5.646 -4.968 2.498 227 HG13 VAL 26 HG13 VAL 26 -6.739 -4.225 3.667 228 HG21 VAL 26 HG21 VAL 26 -8.528 -6.305 4.102 229 HG22 VAL 26 HG22 VAL 26 -7.711 -5.935 5.620 230 HG23 VAL 26 HG23 VAL 26 -7.759 -7.596 5.022 231 H GLU 27 HN GLU 27 -5.569 -6.726 0.827 232 HA GLU 27 HA GLU 27 -2.683 -6.423 1.217 233 HB2 GLU 27 HB2 GLU 27 -4.007 -7.758 -1.151 234 HB3 GLU 27 HB1 GLU 27 -2.306 -7.354 -1.043 235 HG2 GLU 27 HG2 GLU 27 -1.978 -8.899 0.750 236 HG3 GLU 27 HG1 GLU 27 -3.710 -9.200 0.858 237 H TYR 28 HN TYR 28 -1.758 -4.763 -0.094 238 HA TYR 28 HA TYR 28 -3.734 -3.071 -1.472 239 HB2 TYR 28 HB2 TYR 28 -1.686 -2.265 0.571 240 HB3 TYR 28 HB1 TYR 28 -2.391 -1.099 -0.535 241 HD1 TYR 28 HD1 TYR 28 -5.094 -1.281 -0.610 242 HD2 TYR 28 HD2 TYR 28 -2.631 -2.408 2.672 243 HE1 TYR 28 HE1 TYR 28 -6.991 -1.004 0.909 244 HE2 TYR 28 HE2 TYR 28 -4.529 -2.121 4.196 245 HH TYR 28 HH TYR 28 -7.724 -1.791 3.118 246 H LEU 29 HN LEU 29 -3.184 -2.837 -3.544 247 HA LEU 29 HA LEU 29 -0.554 -3.377 -4.503 248 HB2 LEU 29 HB2 LEU 29 -2.801 -3.613 -5.766 249 HB3 LEU 29 HB1 LEU 29 -2.698 -1.888 -6.013 250 HG LEU 29 HG LEU 29 -1.878 -3.507 -7.871 251 HD11 LEU 29 HD11 LEU 29 -1.711 -1.101 -7.911 252 HD12 LEU 29 HD12 LEU 29 -0.303 -1.868 -8.634 253 HD13 LEU 29 HD13 LEU 29 -0.203 -1.181 -7.011 254 HD21 LEU 29 HD21 LEU 29 0.567 -3.344 -6.166 255 HD22 LEU 29 HD22 LEU 29 0.448 -4.100 -7.753 256 HD23 LEU 29 HD23 LEU 29 -0.400 -4.800 -6.370 257 H VAL 30 HN VAL 30 0.773 -1.969 -3.345 258 HA VAL 30 HA VAL 30 0.332 0.841 -3.243 259 HB VAL 30 HB VAL 30 2.753 0.856 -2.420 260 HG11 VAL 30 HG11 VAL 30 2.101 0.029 -0.229 261 HG12 VAL 30 HG12 VAL 30 0.725 -0.815 -0.940 262 HG13 VAL 30 HG13 VAL 30 0.784 0.949 -0.957 263 HG21 VAL 30 HG21 VAL 30 3.675 -1.271 -1.717 264 HG22 VAL 30 HG22 VAL 30 3.406 -1.276 -3.461 265 HG23 VAL 30 HG23 VAL 30 2.285 -2.121 -2.393 266 H LYS 31 HN LYS 31 1.280 2.501 -4.286 267 HA LYS 31 HA LYS 31 2.702 1.890 -6.779 268 HB2 LYS 31 HB2 LYS 31 0.632 3.223 -6.987 269 HB3 LYS 31 HB1 LYS 31 1.290 4.416 -5.876 270 HG2 LYS 31 HG2 LYS 31 3.135 4.808 -7.516 271 HG3 LYS 31 HG1 LYS 31 2.264 3.766 -8.645 272 HD2 LYS 31 HD2 LYS 31 0.300 5.269 -8.442 273 HD3 LYS 31 HD1 LYS 31 1.265 6.339 -7.423 274 HE2 LYS 31 HE2 LYS 31 1.249 7.179 -9.684 275 HE3 LYS 31 HE1 LYS 31 2.868 6.607 -9.281 276 HZ1 LYS 31 HZ1 LYS 31 2.146 5.918 -11.504 277 HZ2 LYS 31 HZ2 LYS 31 0.857 5.059 -10.824 278 HZ3 LYS 31 HZ3 LYS 31 2.449 4.589 -10.500 279 H TRP 32 HN TRP 32 4.828 1.925 -6.486 280 HA TRP 32 HA TRP 32 6.099 3.322 -4.348 281 HB2 TRP 32 HB2 TRP 32 7.226 1.838 -6.729 282 HB3 TRP 32 HB1 TRP 32 8.187 2.432 -5.379 283 HD1 TRP 32 HD1 TRP 32 6.524 -0.607 -6.498 284 HE1 TRP 32 HE1 TRP 32 6.145 -2.244 -4.549 285 HE3 TRP 32 HE3 TRP 32 7.430 2.559 -2.606 286 HZ2 TRP 32 HZ2 TRP 32 6.219 -2.193 -1.727 287 HZ3 TRP 32 HZ3 TRP 32 7.256 1.695 -0.310 288 HH2 TRP 32 HH2 TRP 32 6.658 -0.632 0.118 289 H LYS 33 HN LYS 33 7.131 5.213 -4.306 290 HA LYS 33 HA LYS 33 6.617 7.213 -6.164 291 HB2 LYS 33 HB2 LYS 33 7.216 7.686 -3.858 292 HB3 LYS 33 HB1 LYS 33 8.835 7.056 -4.129 293 HG2 LYS 33 HG2 LYS 33 9.535 8.924 -5.190 294 HG3 LYS 33 HG1 LYS 33 7.960 9.233 -5.914 295 HD2 LYS 33 HD2 LYS 33 8.454 10.964 -4.312 296 HD3 LYS 33 HD1 LYS 33 7.127 9.964 -3.716 297 HE2 LYS 33 HE2 LYS 33 8.623 10.383 -1.893 298 HE3 LYS 33 HE1 LYS 33 8.776 8.691 -2.365 299 HZ1 LYS 33 HZ1 LYS 33 10.633 10.877 -3.139 300 HZ2 LYS 33 HZ2 LYS 33 10.777 9.255 -3.602 301 HZ3 LYS 33 HZ3 LYS 33 10.935 9.687 -1.973 302 H GLY 34 HN GLY 34 9.898 6.000 -5.494 303 HA2 GLY 34 HA2 GLY 34 10.896 7.050 -7.949 304 HA3 GLY 34 HA1 GLY 34 11.774 6.026 -6.828 305 H TRP 35 HN TRP 35 8.752 4.802 -8.007 306 HA TRP 35 HA TRP 35 10.137 3.306 -10.113 307 HB2 TRP 35 HB2 TRP 35 8.513 2.062 -7.898 308 HB3 TRP 35 HB1 TRP 35 9.029 1.206 -9.340 309 HD1 TRP 35 HD1 TRP 35 10.450 2.771 -6.132 310 HE1 TRP 35 HE1 TRP 35 12.768 1.746 -5.688 311 HE3 TRP 35 HE3 TRP 35 10.982 0.069 -10.439 312 HZ2 TRP 35 HZ2 TRP 35 14.583 0.021 -6.988 313 HZ3 TRP 35 HZ3 TRP 35 13.039 -1.241 -10.761 314 HH2 TRP 35 HH2 TRP 35 14.802 -1.263 -9.071 315 HA PRO 36 HA PRO 36 6.478 4.021 -12.463 316 HB2 PRO 36 HB2 PRO 36 6.880 1.450 -13.808 317 HB3 PRO 36 HB1 PRO 36 7.003 3.076 -14.467 318 HG2 PRO 36 HG2 PRO 36 9.154 1.496 -14.081 319 HG3 PRO 36 HG1 PRO 36 9.218 3.256 -13.947 320 HD2 PRO 36 HD2 PRO 36 9.107 1.195 -11.795 321 HD3 PRO 36 HD1 PRO 36 10.028 2.704 -11.864 322 HA PRO 37 HA PRO 37 3.081 1.703 -10.795 323 HB2 PRO 37 HB2 PRO 37 1.871 1.507 -13.483 324 HB3 PRO 37 HB1 PRO 37 1.239 2.270 -12.023 325 HG2 PRO 37 HG2 PRO 37 2.129 3.717 -14.103 326 HG3 PRO 37 HG1 PRO 37 2.332 4.258 -12.428 327 HD2 PRO 37 HD2 PRO 37 4.331 3.046 -14.285 328 HD3 PRO 37 HD1 PRO 37 4.546 4.325 -13.073 329 H LYS 38 HN LYS 38 4.897 0.572 -13.474 330 HA LYS 38 HA LYS 38 3.762 -2.021 -13.739 331 HB2 LYS 38 HB2 LYS 38 6.479 -0.958 -14.525 332 HB3 LYS 38 HB1 LYS 38 5.820 -2.509 -15.034 333 HG2 LYS 38 HG2 LYS 38 4.152 -1.484 -16.344 334 HG3 LYS 38 HG1 LYS 38 4.439 0.094 -15.611 335 HD2 LYS 38 HD2 LYS 38 6.439 -1.394 -17.303 336 HD3 LYS 38 HD1 LYS 38 5.371 -0.127 -17.904 337 HE2 LYS 38 HE2 LYS 38 6.362 1.403 -16.192 338 HE3 LYS 38 HE1 LYS 38 7.526 0.135 -15.815 339 HZ1 LYS 38 HZ1 LYS 38 8.309 0.218 -18.099 340 HZ2 LYS 38 HZ2 LYS 38 8.439 1.739 -17.371 341 HZ3 LYS 38 HZ3 LYS 38 7.188 1.433 -18.466 342 H TYR 39 HN TYR 39 5.987 -0.611 -11.534 343 HA TYR 39 HA TYR 39 6.914 -3.244 -10.651 344 HB2 TYR 39 HB2 TYR 39 7.915 -0.452 -10.153 345 HB3 TYR 39 HB1 TYR 39 8.468 -1.818 -9.204 346 HD1 TYR 39 HD1 TYR 39 8.344 -0.403 -12.576 347 HD2 TYR 39 HD2 TYR 39 10.072 -3.350 -10.061 348 HE1 TYR 39 HE1 TYR 39 10.003 -0.891 -14.307 349 HE2 TYR 39 HE2 TYR 39 11.748 -3.858 -11.790 350 HH TYR 39 HH TYR 39 12.006 -3.635 -14.222 351 H SER 40 HN SER 40 4.284 -1.585 -10.069 352 HA SER 40 HA SER 40 4.138 -1.069 -7.349 353 HB2 SER 40 HB2 SER 40 1.960 -2.254 -9.075 354 HB3 SER 40 HB1 SER 40 1.733 -1.494 -7.505 355 HG SER 40 HG SER 40 2.861 0.374 -8.627 356 H THR 41 HN THR 41 3.237 -2.358 -5.594 357 HA THR 41 HA THR 41 3.470 -5.245 -6.022 358 HB THR 41 HB THR 41 4.826 -5.574 -4.037 359 HG1 THR 41 HG1 THR 41 4.641 -4.006 -2.613 360 HG21 THR 41 HG21 THR 41 5.911 -5.061 -6.267 361 HG22 THR 41 HG22 THR 41 6.915 -4.778 -4.846 362 HG23 THR 41 HG23 THR 41 6.155 -3.419 -5.673 363 H TRP 42 HN TRP 42 2.525 -6.551 -4.355 364 HA TRP 42 HA TRP 42 0.221 -5.232 -3.129 365 HB2 TRP 42 HB2 TRP 42 0.866 -8.104 -3.766 366 HB3 TRP 42 HB1 TRP 42 -0.473 -7.671 -2.709 367 HD1 TRP 42 HD1 TRP 42 0.462 -7.962 -6.331 368 HE1 TRP 42 HE1 TRP 42 -1.558 -7.312 -7.791 369 HE3 TRP 42 HE3 TRP 42 -2.532 -5.926 -2.719 370 HZ2 TRP 42 HZ2 TRP 42 -4.086 -6.098 -7.448 371 HZ3 TRP 42 HZ3 TRP 42 -4.737 -5.051 -3.372 372 HH2 TRP 42 HH2 TRP 42 -5.489 -5.133 -5.697 373 H GLU 43 HN GLU 43 0.764 -4.416 -1.193 374 HA GLU 43 HA GLU 43 2.299 -6.117 0.641 375 HB2 GLU 43 HB2 GLU 43 1.835 -3.131 0.757 376 HB3 GLU 43 HB1 GLU 43 2.831 -4.064 1.868 377 HG2 GLU 43 HG2 GLU 43 3.335 -3.662 -1.072 378 HG3 GLU 43 HG1 GLU 43 4.210 -2.907 0.259 379 HA PRO 44 HA PRO 44 -1.600 -6.968 2.692 380 HB2 PRO 44 HB2 PRO 44 0.326 -7.415 4.930 381 HB3 PRO 44 HB1 PRO 44 -1.032 -8.415 4.396 382 HG2 PRO 44 HG2 PRO 44 1.456 -9.094 3.782 383 HG3 PRO 44 HG1 PRO 44 0.148 -9.295 2.602 384 HD2 PRO 44 HD2 PRO 44 2.317 -7.254 2.701 385 HD3 PRO 44 HD1 PRO 44 1.516 -7.987 1.296 386 H GLU 45 HN GLU 45 -2.876 -5.997 4.184 387 HA GLU 45 HA GLU 45 -2.509 -3.281 4.684 388 HB2 GLU 45 HB2 GLU 45 -4.693 -4.305 4.568 389 HB3 GLU 45 HB1 GLU 45 -4.356 -5.296 5.974 390 HG2 GLU 45 HG2 GLU 45 -4.268 -2.328 6.200 391 HG3 GLU 45 HG1 GLU 45 -5.819 -3.152 6.161 392 H GLU 46 HN GLU 46 -1.158 -5.945 6.248 393 HA GLU 46 HA GLU 46 -0.851 -4.642 8.826 394 HB2 GLU 46 HB2 GLU 46 0.258 -7.277 7.840 395 HB3 GLU 46 HB1 GLU 46 0.280 -6.703 9.502 396 HG2 GLU 46 HG2 GLU 46 -2.146 -6.768 9.579 397 HG3 GLU 46 HG1 GLU 46 -2.197 -7.292 7.895 398 H HIS 47 HN HIS 47 1.012 -5.241 5.923 399 HA HIS 47 HA HIS 47 3.520 -4.504 7.149 400 HB2 HIS 47 HB2 HIS 47 2.743 -5.058 4.285 401 HB3 HIS 47 HB1 HIS 47 4.370 -4.591 4.769 402 HD1 HIS 47 HD1 HIS 47 1.852 -7.350 5.383 403 HD2 HIS 47 HD2 HIS 47 5.946 -6.661 5.622 404 HE1 HIS 47 HE1 HIS 47 2.875 -9.577 5.935 405 HE2 HIS 47 HE2 HIS 47 5.328 -9.098 6.231 406 H ILE 48 HN ILE 48 1.036 -2.888 5.237 407 HA ILE 48 HA ILE 48 2.431 -0.601 4.456 408 HB ILE 48 HB ILE 48 -0.410 -0.566 5.511 409 HG12 ILE 48 HG12 ILE 48 0.005 -2.370 3.782 410 HG13 ILE 48 HG11 ILE 48 -1.214 -1.180 3.355 411 HG21 ILE 48 HG21 ILE 48 -0.621 1.252 3.765 412 HG22 ILE 48 HG22 ILE 48 1.139 1.215 3.653 413 HG23 ILE 48 HG23 ILE 48 0.361 1.636 5.179 414 HD11 ILE 48 HD11 ILE 48 0.009 -0.334 1.657 415 HD12 ILE 48 HD12 ILE 48 0.652 -1.977 1.663 416 HD13 ILE 48 HD13 ILE 48 1.552 -0.674 2.440 417 H LEU 49 HN LEU 49 3.828 0.262 5.810 418 HA LEU 49 HA LEU 49 3.554 0.399 8.615 419 HB2 LEU 49 HB2 LEU 49 5.368 2.074 6.920 420 HB3 LEU 49 HB1 LEU 49 5.612 1.604 8.581 421 HG LEU 49 HG LEU 49 5.487 -0.439 6.394 422 HD11 LEU 49 HD11 LEU 49 7.127 1.108 5.670 423 HD12 LEU 49 HD12 LEU 49 7.943 -0.317 6.309 424 HD13 LEU 49 HD13 LEU 49 7.866 1.164 7.268 425 HD21 LEU 49 HD21 LEU 49 5.333 -1.259 8.623 426 HD22 LEU 49 HD22 LEU 49 6.751 -0.346 9.120 427 HD23 LEU 49 HD23 LEU 49 6.911 -1.679 7.973 428 H ASP 50 HN ASP 50 1.817 2.089 6.426 429 HA ASP 50 HA ASP 50 1.427 4.277 8.331 430 HB2 ASP 50 HB2 ASP 50 1.925 4.602 5.371 431 HB3 ASP 50 HB1 ASP 50 1.186 5.856 6.362 432 HA PRO 51 HA PRO 51 -2.760 2.736 7.476 433 HB2 PRO 51 HB2 PRO 51 -3.405 4.648 9.614 434 HB3 PRO 51 HB1 PRO 51 -3.749 2.920 9.528 435 HG2 PRO 51 HG2 PRO 51 -1.905 3.875 11.211 436 HG3 PRO 51 HG1 PRO 51 -1.657 2.340 10.357 437 HD2 PRO 51 HD2 PRO 51 -0.529 5.040 9.742 438 HD3 PRO 51 HD1 PRO 51 0.264 3.452 9.733 439 H ARG 52 HN ARG 52 -1.332 5.845 7.391 440 HA ARG 52 HA ARG 52 -3.599 7.353 6.606 441 HB2 ARG 52 HB2 ARG 52 -0.721 7.752 6.848 442 HB3 ARG 52 HB1 ARG 52 -1.386 8.568 5.441 443 HG2 ARG 52 HG2 ARG 52 -2.600 8.863 8.165 444 HG3 ARG 52 HG1 ARG 52 -1.268 9.878 7.612 445 HD2 ARG 52 HD2 ARG 52 -2.631 10.558 5.671 446 HD3 ARG 52 HD1 ARG 52 -3.965 9.588 6.292 447 HE ARG 52 HE ARG 52 -3.333 11.277 8.342 448 HH11 ARG 52 HH11 ARG 52 -4.217 11.683 4.997 449 HH12 ARG 52 HH12 ARG 52 -4.991 13.212 5.252 450 HH21 ARG 52 HH21 ARG 52 -4.351 13.292 8.688 451 HH22 ARG 52 HH22 ARG 52 -5.066 14.126 7.349 452 H LEU 53 HN LEU 53 -1.159 5.463 4.944 453 HA LEU 53 HA LEU 53 -1.833 6.094 2.279 454 HB2 LEU 53 HB2 LEU 53 -0.482 3.800 3.651 455 HB3 LEU 53 HB1 LEU 53 -0.936 3.628 1.972 456 HG LEU 53 HG LEU 53 0.735 5.951 2.882 457 HD11 LEU 53 HD11 LEU 53 1.699 3.221 2.045 458 HD12 LEU 53 HD12 LEU 53 1.865 3.933 3.650 459 HD13 LEU 53 HD13 LEU 53 2.715 4.644 2.278 460 HD21 LEU 53 HD21 LEU 53 0.494 4.483 0.261 461 HD22 LEU 53 HD22 LEU 53 1.456 5.932 0.568 462 HD23 LEU 53 HD23 LEU 53 -0.306 6.008 0.650 463 H VAL 54 HN VAL 54 -2.959 3.703 4.579 464 HA VAL 54 HA VAL 54 -4.757 2.316 2.887 465 HB VAL 54 HB VAL 54 -4.574 2.571 5.892 466 HG11 VAL 54 HG11 VAL 54 -6.727 1.542 4.300 467 HG12 VAL 54 HG12 VAL 54 -6.617 1.711 6.048 468 HG13 VAL 54 HG13 VAL 54 -6.004 0.256 5.260 469 HG21 VAL 54 HG21 VAL 54 -3.762 0.461 3.920 470 HG22 VAL 54 HG22 VAL 54 -3.801 0.195 5.662 471 HG23 VAL 54 HG23 VAL 54 -2.715 1.405 4.977 472 H MET 55 HN MET 55 -5.344 4.678 5.466 473 HA MET 55 HA MET 55 -8.058 5.004 5.201 474 HB2 MET 55 HB2 MET 55 -6.515 6.035 6.925 475 HB3 MET 55 HB1 MET 55 -6.160 7.272 5.742 476 HG2 MET 55 HG2 MET 55 -7.865 8.400 6.590 477 HG3 MET 55 HG1 MET 55 -8.903 7.222 5.801 478 HE1 MET 55 HE1 MET 55 -8.074 4.694 7.296 479 HE2 MET 55 HE2 MET 55 -9.829 4.892 7.267 480 HE3 MET 55 HE3 MET 55 -9.004 4.545 8.788 481 H ALA 56 HN ALA 56 -5.517 6.926 3.642 482 HA ALA 56 HA ALA 56 -7.118 8.545 2.059 483 HB1 ALA 56 HB1 ALA 56 -4.383 7.463 1.411 484 HB2 ALA 56 HB2 ALA 56 -4.726 8.921 2.340 485 HB3 ALA 56 HB3 ALA 56 -5.150 8.841 0.629 486 H TYR 57 HN TYR 57 -6.009 5.241 1.523 487 HA TYR 57 HA TYR 57 -6.803 4.995 -1.161 488 HB2 TYR 57 HB2 TYR 57 -5.394 3.307 -0.078 489 HB3 TYR 57 HB1 TYR 57 -6.722 2.866 0.991 490 HD1 TYR 57 HD1 TYR 57 -5.648 2.910 -2.538 491 HD2 TYR 57 HD2 TYR 57 -8.359 1.333 0.311 492 HE1 TYR 57 HE1 TYR 57 -6.494 1.331 -4.233 493 HE2 TYR 57 HE2 TYR 57 -9.217 -0.255 -1.356 494 HH TYR 57 HH TYR 57 -7.655 -0.879 -4.271 495 H GLU 58 HN GLU 58 -8.479 4.184 1.850 496 HA GLU 58 HA GLU 58 -10.941 3.491 0.656 497 HB2 GLU 58 HB2 GLU 58 -10.577 4.539 3.421 498 HB3 GLU 58 HB1 GLU 58 -11.841 3.473 2.850 499 HG2 GLU 58 HG2 GLU 58 -8.944 2.699 2.878 500 HG3 GLU 58 HG1 GLU 58 -10.020 2.425 4.248 501 H GLU 59 HN GLU 59 -9.387 6.425 1.040 502 HA GLU 59 HA GLU 59 -11.692 8.093 1.402 503 HB2 GLU 59 HB2 GLU 59 -10.104 9.550 1.976 504 HB3 GLU 59 HB1 GLU 59 -8.861 8.417 1.462 505 HG2 GLU 59 HG2 GLU 59 -8.942 9.310 -0.783 506 HG3 GLU 59 HG1 GLU 59 -10.245 10.404 -0.321 507 H LYS 60 HN LYS 60 -9.653 7.118 -1.334 508 HA LYS 60 HA LYS 60 -11.036 8.696 -3.251 509 HB2 LYS 60 HB2 LYS 60 -9.535 6.148 -3.829 510 HB3 LYS 60 HB1 LYS 60 -9.774 7.525 -4.890 511 HG2 LYS 60 HG2 LYS 60 -7.877 8.414 -4.197 512 HG3 LYS 60 HG1 LYS 60 -8.474 8.421 -2.535 513 HD2 LYS 60 HD2 LYS 60 -7.585 6.306 -2.093 514 HD3 LYS 60 HD1 LYS 60 -7.357 5.947 -3.800 515 HE2 LYS 60 HE2 LYS 60 -5.552 7.476 -3.972 516 HE3 LYS 60 HE1 LYS 60 -5.899 8.161 -2.386 517 HZ1 LYS 60 HZ1 LYS 60 -4.906 5.415 -2.930 518 HZ2 LYS 60 HZ2 LYS 60 -5.298 6.017 -1.399 519 HZ3 LYS 60 HZ3 LYS 60 -4.013 6.690 -2.266 520 H GLU 61 HN GLU 61 -11.312 5.378 -2.100 521 HA GLU 61 HA GLU 61 -13.285 4.570 -3.958 522 HB2 GLU 61 HB2 GLU 61 -12.623 3.487 -1.221 523 HB3 GLU 61 HB1 GLU 61 -13.665 2.690 -2.392 524 HG2 GLU 61 HG2 GLU 61 -10.754 3.334 -2.787 525 HG3 GLU 61 HG1 GLU 61 -11.421 1.758 -2.384 526 H GLU 62 HN GLU 62 -13.536 5.650 -0.574 527 HA GLU 62 HA GLU 62 -16.295 5.414 -0.319 528 HB2 GLU 62 HB2 GLU 62 -16.163 6.931 1.533 529 HB3 GLU 62 HB1 GLU 62 -14.725 5.920 1.545 530 HG2 GLU 62 HG2 GLU 62 -13.419 7.707 0.594 531 HG3 GLU 62 HG1 GLU 62 -14.856 8.715 0.457 532 H ARG 63 HN ARG 63 -14.365 7.980 -1.730 533 HA ARG 63 HA ARG 63 -16.400 9.882 -2.077 534 HB2 ARG 63 HB2 ARG 63 -13.723 9.393 -3.242 535 HB3 ARG 63 HB1 ARG 63 -14.804 10.447 -4.139 536 HG2 ARG 63 HG2 ARG 63 -14.040 10.820 -1.250 537 HG3 ARG 63 HG1 ARG 63 -13.309 11.665 -2.613 538 HD2 ARG 63 HD2 ARG 63 -15.538 12.571 -3.195 539 HD3 ARG 63 HD1 ARG 63 -16.192 11.802 -1.749 540 HE ARG 63 HE ARG 63 -13.967 13.584 -1.281 541 HH11 ARG 63 HH11 ARG 63 -17.429 13.254 -1.485 542 HH12 ARG 63 HH12 ARG 63 -17.749 14.667 -0.536 543 HH21 ARG 63 HH21 ARG 63 -14.378 15.443 -0.029 544 HH22 ARG 63 HH22 ARG 63 -16.014 15.910 0.293 545 H ASP 64 HN ASP 64 -15.102 7.488 -4.361 546 HA ASP 64 HA ASP 64 -17.181 8.036 -6.288 547 HB2 ASP 64 HB2 ASP 64 -14.850 7.451 -6.946 548 HB3 ASP 64 HB1 ASP 64 -15.117 5.843 -6.302 549 H ARG 65 HN ARG 65 -16.103 5.016 -4.763 550 HA ARG 65 HA ARG 65 -18.233 3.419 -5.349 551 HB2 ARG 65 HB2 ARG 65 -16.688 3.403 -2.757 552 HB3 ARG 65 HB1 ARG 65 -17.665 2.079 -3.374 553 HG2 ARG 65 HG2 ARG 65 -16.113 2.188 -5.434 554 HG3 ARG 65 HG1 ARG 65 -15.042 3.110 -4.372 555 HD2 ARG 65 HD2 ARG 65 -14.467 0.750 -4.336 556 HD3 ARG 65 HD1 ARG 65 -15.054 1.290 -2.765 557 HE ARG 65 HE ARG 65 -16.932 -0.016 -4.586 558 HH11 ARG 65 HH11 ARG 65 -15.024 -0.102 -1.670 559 HH12 ARG 65 HH12 ARG 65 -15.864 -1.464 -1.008 560 HH21 ARG 65 HH21 ARG 65 -18.042 -1.808 -3.723 561 HH22 ARG 65 HH22 ARG 65 -17.581 -2.433 -2.175 562 H ALA 66 HN ALA 66 -18.091 5.947 -2.954 563 HA ALA 66 HA ALA 66 -19.594 6.807 -1.493 564 HB1 ALA 66 HB1 ALA 66 -20.678 7.075 -3.759 565 HB2 ALA 66 HB2 ALA 66 -21.737 7.196 -2.353 566 HB3 ALA 66 HB3 ALA 66 -21.712 5.716 -3.315 567 H SER 67 HN SER 67 -21.804 4.239 -2.471 568 HA SER 67 HA SER 67 -21.503 3.032 0.199 569 HB2 SER 67 HB2 SER 67 -23.572 4.352 0.120 570 HB3 SER 67 HB1 SER 67 -24.089 3.468 -1.314 571 HG SER 67 HG SER 67 -24.037 2.673 1.347 572 H GLY 68 HN GLY 68 -22.950 2.452 -3.010 573 HA2 GLY 68 HA2 GLY 68 -21.635 -0.154 -3.097 574 HA3 GLY 68 HA1 GLY 68 -23.392 -0.153 -3.152 575 H TYR 69 HN TYR 69 -20.653 1.505 -4.719 576 HA TYR 69 HA TYR 69 -22.169 1.764 -7.178 577 HB2 TYR 69 HB2 TYR 69 -20.714 3.604 -6.372 578 HB3 TYR 69 HB1 TYR 69 -19.313 2.560 -6.575 579 HD1 TYR 69 HD1 TYR 69 -22.047 4.261 -8.408 580 HD2 TYR 69 HD2 TYR 69 -18.264 2.334 -8.681 581 HE1 TYR 69 HE1 TYR 69 -21.841 5.012 -10.733 582 HE2 TYR 69 HE2 TYR 69 -18.047 3.082 -11.014 583 HH TYR 69 HH TYR 69 -19.458 3.799 -12.856 584 H ARG 70 HN ARG 70 -20.068 -0.487 -5.771 585 HA ARG 70 HA ARG 70 -19.057 -2.382 -6.508 586 HB2 ARG 70 HB2 ARG 70 -21.461 -2.356 -7.713 587 HB3 ARG 70 HB1 ARG 70 -20.432 -2.318 -9.134 588 HG2 ARG 70 HG2 ARG 70 -19.322 -4.339 -8.419 589 HG3 ARG 70 HG1 ARG 70 -20.295 -4.381 -6.949 590 HD2 ARG 70 HD2 ARG 70 -22.324 -4.477 -8.431 591 HD3 ARG 70 HD1 ARG 70 -21.225 -4.691 -9.794 592 HE ARG 70 HE ARG 70 -20.511 -6.633 -8.005 593 HH11 ARG 70 HH11 ARG 70 -23.446 -5.735 -9.655 594 HH12 ARG 70 HH12 ARG 70 -24.068 -7.351 -9.699 595 HH21 ARG 70 HH21 ARG 70 -21.322 -8.761 -8.056 596 HH22 ARG 70 HH22 ARG 70 -22.860 -9.071 -8.787 597 H LYS 71 HN LYS 71 -18.660 -2.966 -9.427 598 HA LYS 71 HA LYS 71 -16.605 -0.949 -10.033 599 HB2 LYS 71 HB2 LYS 71 -15.593 -2.995 -9.028 600 HB3 LYS 71 HB1 LYS 71 -16.249 -3.933 -10.364 601 HG2 LYS 71 HG2 LYS 71 -14.915 -2.612 -11.938 602 HG3 LYS 71 HG1 LYS 71 -14.243 -1.696 -10.587 603 HD2 LYS 71 HD2 LYS 71 -13.347 -3.810 -9.657 604 HD3 LYS 71 HD1 LYS 71 -13.936 -4.655 -11.090 605 HE2 LYS 71 HE2 LYS 71 -11.567 -4.140 -11.305 606 HE3 LYS 71 HE1 LYS 71 -12.512 -3.255 -12.502 607 HZ1 LYS 71 HZ1 LYS 71 -10.801 -1.884 -11.433 608 HZ2 LYS 71 HZ2 LYS 71 -11.546 -2.118 -9.934 609 HZ3 LYS 71 HZ3 LYS 71 -12.358 -1.282 -11.159 610 H1 ALA 15 HT1 ALA 15 -1.338 8.675 -13.973 611 H2 ALA 15 HT2 ALA 15 -1.863 8.149 -15.491 612 H3 ALA 15 HT3 ALA 15 -2.738 9.331 -14.660 613 HA ALA 15 HA ALA 15 -0.047 9.575 -15.856 614 HB1 ALA 15 HB1 ALA 15 -1.025 11.258 -17.270 615 HB2 ALA 15 HB2 ALA 15 -2.567 11.124 -16.427 616 HB3 ALA 15 HB3 ALA 15 -1.969 9.773 -17.388 617 HA PRO 16 HA PRO 16 -0.957 13.710 -13.370 618 HB2 PRO 16 HB2 PRO 16 -2.785 12.625 -11.301 619 HB3 PRO 16 HB1 PRO 16 -2.816 14.189 -12.120 620 HG2 PRO 16 HG2 PRO 16 -4.589 12.291 -12.723 621 HG3 PRO 16 HG1 PRO 16 -3.908 13.343 -13.979 622 HD2 PRO 16 HD2 PRO 16 -3.236 10.508 -13.306 623 HD3 PRO 16 HD1 PRO 16 -3.364 11.291 -14.894 624 H ARG 17 HN ARG 17 1.027 13.686 -12.491 625 HA ARG 17 HA ARG 17 1.739 11.674 -10.516 626 HB2 ARG 17 HB2 ARG 17 4.004 12.623 -10.687 627 HB3 ARG 17 HB1 ARG 17 3.359 12.169 -12.257 628 HG2 ARG 17 HG2 ARG 17 2.753 14.555 -12.625 629 HG3 ARG 17 HG1 ARG 17 3.587 14.946 -11.120 630 HD2 ARG 17 HD2 ARG 17 4.782 13.727 -13.605 631 HD3 ARG 17 HD1 ARG 17 5.078 15.343 -12.965 632 HE ARG 17 HE ARG 17 5.783 13.549 -10.973 633 HH11 ARG 17 HH11 ARG 17 6.790 14.331 -14.216 634 HH12 ARG 17 HH12 ARG 17 8.433 13.843 -13.961 635 HH21 ARG 17 HH21 ARG 17 7.942 12.901 -10.631 636 HH22 ARG 17 HH22 ARG 17 9.086 13.028 -11.925 637 H LYS 18 HN LYS 18 2.008 12.017 -8.386 638 HA LYS 18 HA LYS 18 0.997 14.493 -7.285 639 HB2 LYS 18 HB2 LYS 18 1.210 13.322 -5.113 640 HB3 LYS 18 HB1 LYS 18 0.268 12.414 -6.287 641 HG2 LYS 18 HG2 LYS 18 2.376 11.125 -6.800 642 HG3 LYS 18 HG1 LYS 18 3.084 11.898 -5.380 643 HD2 LYS 18 HD2 LYS 18 2.291 9.900 -4.517 644 HD3 LYS 18 HD1 LYS 18 0.971 11.014 -4.160 645 HE2 LYS 18 HE2 LYS 18 1.083 9.209 -6.572 646 HE3 LYS 18 HE1 LYS 18 0.224 8.828 -5.082 647 HZ1 LYS 18 HZ1 LYS 18 -0.335 11.098 -6.913 648 HZ2 LYS 18 HZ2 LYS 18 -1.111 10.849 -5.430 649 HZ3 LYS 18 HZ3 LYS 18 -1.298 9.726 -6.682 650 H GLN 19 HN GLN 19 3.908 13.669 -8.437 651 HA GLN 19 HA GLN 19 6.019 14.464 -8.213 652 HB2 GLN 19 HB2 GLN 19 4.668 16.533 -6.468 653 HB3 GLN 19 HB1 GLN 19 6.323 16.637 -7.055 654 HG2 GLN 19 HG2 GLN 19 5.486 16.643 -9.363 655 HG3 GLN 19 HG1 GLN 19 3.833 16.598 -8.747 656 HE21 GLN 19 HE21 GLN 19 2.968 18.423 -7.770 657 HE22 GLN 19 HE22 GLN 19 3.691 19.984 -7.930 658 H LEU 20 HN LEU 20 5.037 15.469 -4.967 659 HA LEU 20 HA LEU 20 7.108 13.719 -3.871 660 HB2 LEU 20 HB2 LEU 20 5.608 16.076 -2.754 661 HB3 LEU 20 HB1 LEU 20 6.602 15.044 -1.745 662 HG LEU 20 HG LEU 20 8.534 15.591 -3.293 663 HD11 LEU 20 HD11 LEU 20 6.621 17.725 -4.227 664 HD12 LEU 20 HD12 LEU 20 7.245 16.388 -5.195 665 HD13 LEU 20 HD13 LEU 20 8.341 17.641 -4.610 666 HD21 LEU 20 HD21 LEU 20 8.233 16.591 -1.064 667 HD22 LEU 20 HD22 LEU 20 7.291 17.892 -1.793 668 HD23 LEU 20 HD23 LEU 20 8.995 17.701 -2.203 669 H ALA 21 HN ALA 21 6.724 12.306 -2.135 670 HA ALA 21 HA ALA 21 4.058 11.152 -2.142 671 HB1 ALA 21 HB1 ALA 21 5.941 9.645 -2.353 672 HB2 ALA 21 HB2 ALA 21 5.094 9.333 -0.838 673 HB3 ALA 21 HB3 ALA 21 6.613 10.229 -0.831 674 H THR 22 HN THR 22 2.773 10.851 -0.315 675 HA THR 22 HA THR 22 3.177 12.854 1.763 676 HB THR 22 HB THR 22 0.862 12.368 2.428 677 HG1 THR 22 HG1 THR 22 1.141 10.076 1.482 678 HG21 THR 22 HG21 THR 22 -0.247 13.195 0.405 679 HG22 THR 22 HG22 THR 22 1.182 12.793 -0.547 680 HG23 THR 22 HG23 THR 22 1.271 14.045 0.693 681 H LYS 23 HN LYS 23 3.008 9.368 1.374 682 HA LYS 23 HA LYS 23 4.018 9.073 4.102 683 HB2 LYS 23 HB2 LYS 23 1.619 7.606 2.999 684 HB3 LYS 23 HB1 LYS 23 2.480 7.117 4.451 685 HG2 LYS 23 HG2 LYS 23 1.130 9.780 4.058 686 HG3 LYS 23 HG1 LYS 23 0.455 8.411 4.941 687 HD2 LYS 23 HD2 LYS 23 2.254 8.510 6.552 688 HD3 LYS 23 HD1 LYS 23 3.052 9.783 5.629 689 HE2 LYS 23 HE2 LYS 23 1.094 11.239 6.016 690 HE3 LYS 23 HE1 LYS 23 0.379 9.971 7.009 691 HZ1 LYS 23 HZ1 LYS 23 2.949 11.355 7.559 692 HZ2 LYS 23 HZ2 LYS 23 2.265 10.137 8.513 693 HZ3 LYS 23 HZ3 LYS 23 1.486 11.631 8.363 694 H ALA 24 HN ALA 24 4.362 6.489 4.396 695 HA ALA 24 HA ALA 24 5.566 5.411 1.955 696 HB1 ALA 24 HB1 ALA 24 7.399 6.580 2.920 697 HB2 ALA 24 HB2 ALA 24 7.644 4.865 3.246 698 HB3 ALA 24 HB3 ALA 24 7.052 5.928 4.520 699 H ALA 25 HN ALA 25 6.580 3.168 2.524 700 HA ALA 25 HA ALA 25 5.328 1.699 4.646 701 HB1 ALA 25 HB1 ALA 25 4.513 0.967 1.840 702 HB2 ALA 25 HB2 ALA 25 3.497 1.888 2.949 703 HB3 ALA 25 HB3 ALA 25 3.963 0.233 3.345 704 H ARG 26 HN ARG 26 5.544 -0.873 3.500 705 HA ARG 26 HA ARG 26 8.427 -1.005 2.895 706 HB2 ARG 26 HB2 ARG 26 8.462 -3.137 4.196 707 HB3 ARG 26 HB1 ARG 26 8.135 -1.708 5.169 708 HG2 ARG 26 HG2 ARG 26 5.883 -2.257 5.433 709 HG3 ARG 26 HG1 ARG 26 5.912 -3.403 4.093 710 HD2 ARG 26 HD2 ARG 26 5.837 -4.557 6.238 711 HD3 ARG 26 HD1 ARG 26 7.345 -4.892 5.385 712 HE ARG 26 HE ARG 26 8.011 -2.822 6.979 713 HH11 ARG 26 HH11 ARG 26 6.411 -5.858 7.598 714 HH12 ARG 26 HH12 ARG 26 7.017 -5.993 9.215 715 HH21 ARG 26 HH21 ARG 26 8.813 -2.996 9.104 716 HH22 ARG 26 HH22 ARG 26 8.382 -4.368 10.070 717 H MLY 27 HN MLY 27 9.110 -3.057 1.915 718 HA MLY 27 HA MLY 27 7.043 -4.372 0.290 719 HB2 MLY 27 HB2 MLY 27 8.370 -2.553 -0.961 720 HB3 MLY 27 HB1 MLY 27 9.750 -3.631 -0.817 721 HG2 MLY 27 HG2 MLY 27 8.041 -5.359 -1.875 722 HG3 MLY 27 HG1 MLY 27 7.314 -3.875 -2.493 723 HD2 MLY 27 HD2 MLY 27 10.197 -4.701 -2.848 724 HD3 MLY 27 HD1 MLY 27 8.933 -4.829 -4.072 725 HE2 MLY 27 HE2 MLY 27 8.628 -2.363 -3.923 726 HE3 MLY 27 HE1 MLY 27 10.010 -2.300 -2.831 727 HH11 MLY 27 HH11 MLY 27 9.318 -1.287 -5.770 728 HH12 MLY 27 HH12 MLY 27 10.628 -0.670 -4.767 729 HH13 MLY 27 HH13 MLY 27 10.987 -1.409 -6.329 730 HH21 MLY 27 HH21 MLY 27 12.533 -2.916 -5.204 731 HH22 MLY 27 HH22 MLY 27 12.132 -2.197 -3.647 732 HH23 MLY 27 HH23 MLY 27 11.966 -3.937 -3.883 733 HZ MLY 27 HZ MLY 27 10.212 -3.525 -5.483 734 H SER 28 HN SER 28 8.885 -4.836 2.706 735 HA SER 28 HA SER 28 10.016 -7.406 1.819 736 HB2 SER 28 HB2 SER 28 11.670 -6.997 3.740 737 HB3 SER 28 HB1 SER 28 11.886 -6.062 2.259 738 HG SER 28 HG SER 28 10.525 -4.436 3.385 739 H ALA 29 HN ALA 29 10.804 -8.243 4.384 740 HA ALA 29 HA ALA 29 10.048 -9.401 6.184 741 HB1 ALA 29 HB1 ALA 29 9.424 -7.163 6.983 742 HB2 ALA 29 HB2 ALA 29 8.312 -8.405 7.554 743 HB3 ALA 29 HB3 ALA 29 7.842 -7.346 6.226 744 HA PRO 30 HA PRO 30 6.979 -11.494 3.257 745 HB2 PRO 30 HB2 PRO 30 8.793 -13.750 3.926 746 HB3 PRO 30 HB1 PRO 30 8.104 -13.282 2.368 747 HG2 PRO 30 HG2 PRO 30 10.671 -12.829 2.911 748 HG3 PRO 30 HG1 PRO 30 9.709 -11.651 1.998 749 HD2 PRO 30 HD2 PRO 30 10.564 -11.589 4.864 750 HD3 PRO 30 HD1 PRO 30 10.463 -10.262 3.688 Start of MODEL 3 1 H MET 1 HT1 MET 1 22.938 -12.416 3.678 2 HA MET 1 HA MET 1 22.446 -14.910 5.197 3 HB2 MET 1 HB2 MET 1 24.614 -12.839 5.297 4 HB3 MET 1 HB1 MET 1 24.167 -13.726 6.750 5 HG2 MET 1 HG2 MET 1 25.096 -14.959 4.160 6 HG3 MET 1 HG1 MET 1 26.094 -14.704 5.589 7 HE1 MET 1 HE1 MET 1 23.256 -18.131 4.749 8 HE2 MET 1 HE2 MET 1 24.273 -17.213 3.638 9 HE3 MET 1 HE3 MET 1 22.802 -16.491 4.288 10 H GLU 2 HN GLU 2 22.227 -14.308 7.574 11 HA GLU 2 HA GLU 2 20.894 -13.437 9.187 12 HB2 GLU 2 HB2 GLU 2 21.421 -10.789 7.846 13 HB3 GLU 2 HB1 GLU 2 21.080 -11.081 9.547 14 HG2 GLU 2 HG2 GLU 2 23.200 -12.191 9.826 15 HG3 GLU 2 HG1 GLU 2 23.536 -12.047 8.099 16 H LEU 3 HN LEU 3 19.550 -14.338 6.814 17 HA LEU 3 HA LEU 3 17.435 -12.431 6.289 18 HB2 LEU 3 HB2 LEU 3 18.361 -13.944 4.533 19 HB3 LEU 3 HB1 LEU 3 17.678 -15.305 5.401 20 HG LEU 3 HG LEU 3 15.411 -14.229 5.090 21 HD11 LEU 3 HD11 LEU 3 16.947 -12.519 3.140 22 HD12 LEU 3 HD12 LEU 3 16.176 -11.961 4.625 23 HD13 LEU 3 HD13 LEU 3 15.192 -12.586 3.302 24 HD21 LEU 3 HD21 LEU 3 16.972 -15.048 2.643 25 HD22 LEU 3 HD22 LEU 3 15.214 -14.978 2.754 26 HD23 LEU 3 HD23 LEU 3 16.114 -16.120 3.750 27 H SER 4 HN SER 4 16.986 -12.453 8.711 28 HA SER 4 HA SER 4 14.568 -13.866 9.161 29 HB2 SER 4 HB2 SER 4 15.287 -15.222 11.094 30 HB3 SER 4 HB1 SER 4 16.087 -15.735 9.609 31 HG SER 4 HG SER 4 17.644 -15.590 11.179 32 H ALA 5 HN ALA 5 16.905 -11.562 9.920 33 HA ALA 5 HA ALA 5 15.523 -10.726 12.366 34 HB1 ALA 5 HB1 ALA 5 18.159 -9.806 11.234 35 HB2 ALA 5 HB2 ALA 5 17.935 -10.952 12.556 36 HB3 ALA 5 HB3 ALA 5 17.451 -9.267 12.756 37 H ILE 6 HN ILE 6 16.344 -9.668 9.133 38 HA ILE 6 HA ILE 6 15.265 -7.025 9.488 39 HB ILE 6 HB ILE 6 16.004 -8.461 6.933 40 HG12 ILE 6 HG12 ILE 6 17.579 -6.449 8.552 41 HG13 ILE 6 HG11 ILE 6 17.881 -8.182 8.539 42 HG21 ILE 6 HG21 ILE 6 14.478 -6.642 6.480 43 HG22 ILE 6 HG22 ILE 6 16.108 -6.175 5.982 44 HG23 ILE 6 HG23 ILE 6 15.436 -5.552 7.488 45 HD11 ILE 6 HD11 ILE 6 18.424 -8.080 6.170 46 HD12 ILE 6 HD12 ILE 6 19.441 -6.985 7.107 47 HD13 ILE 6 HD13 ILE 6 18.094 -6.347 6.163 48 H GLY 7 HN GLY 7 14.361 -9.224 6.866 49 HA2 GLY 7 HA2 GLY 7 12.288 -10.039 6.243 50 HA3 GLY 7 HA1 GLY 7 11.615 -9.380 7.726 51 H GLU 8 HN GLU 8 12.655 -6.686 7.187 52 HA GLU 8 HA GLU 8 10.846 -5.950 5.003 53 HB2 GLU 8 HB2 GLU 8 11.440 -4.201 7.368 54 HB3 GLU 8 HB1 GLU 8 10.126 -4.052 6.208 55 HG2 GLU 8 HG2 GLU 8 9.091 -6.056 7.070 56 HG3 GLU 8 HG1 GLU 8 10.436 -6.300 8.176 57 H GLN 9 HN GLN 9 11.404 -3.210 5.027 58 HA GLN 9 HA GLN 9 14.162 -2.632 4.803 59 HB2 GLN 9 HB2 GLN 9 14.256 -2.299 2.352 60 HB3 GLN 9 HB1 GLN 9 14.072 -3.989 2.804 61 HG2 GLN 9 HG2 GLN 9 11.980 -4.134 1.960 62 HG3 GLN 9 HG1 GLN 9 11.610 -2.444 2.263 63 HE21 GLN 9 HE21 GLN 9 13.978 -1.429 1.006 64 HE22 GLN 9 HE22 GLN 9 13.760 -1.616 -0.695 65 H VAL 10 HN VAL 10 10.881 -1.902 3.806 66 HA VAL 10 HA VAL 10 9.645 -0.004 3.866 67 HB VAL 10 HB VAL 10 11.959 1.311 5.276 68 HG11 VAL 10 HG11 VAL 10 9.217 2.084 4.604 69 HG12 VAL 10 HG12 VAL 10 10.620 3.085 4.983 70 HG13 VAL 10 HG13 VAL 10 9.668 2.370 6.285 71 HG21 VAL 10 HG21 VAL 10 9.764 -0.463 6.313 72 HG22 VAL 10 HG22 VAL 10 10.580 0.714 7.347 73 HG23 VAL 10 HG23 VAL 10 11.504 -0.582 6.589 74 H PHE 11 HN PHE 11 9.241 1.648 2.497 75 HA PHE 11 HA PHE 11 11.437 2.933 1.074 76 HB2 PHE 11 HB2 PHE 11 9.577 0.980 -0.100 77 HB3 PHE 11 HB1 PHE 11 9.676 2.491 -0.990 78 HD1 PHE 11 HD2 PHE 11 12.643 3.031 -0.365 79 HD2 PHE 11 HD1 PHE 11 10.539 -0.409 -1.718 80 HE1 PHE 11 HE2 PHE 11 14.683 2.227 -1.478 81 HE2 PHE 11 HE1 PHE 11 12.574 -1.223 -2.834 82 HZ PHE 11 HZ PHE 11 14.652 0.097 -2.716 83 H ALA 12 HN ALA 12 9.916 4.217 -0.861 84 HA ALA 12 HA ALA 12 8.196 5.951 0.788 85 HB1 ALA 12 HB1 ALA 12 8.682 7.559 -1.218 86 HB2 ALA 12 HB2 ALA 12 10.065 6.497 -1.474 87 HB3 ALA 12 HB3 ALA 12 9.877 7.345 0.061 88 H VAL 13 HN VAL 13 6.161 5.166 0.491 89 HA VAL 13 HA VAL 13 5.260 4.181 -2.058 90 HB VAL 13 HB VAL 13 3.473 4.859 0.268 91 HG11 VAL 13 HG11 VAL 13 3.079 2.490 -1.444 92 HG12 VAL 13 HG12 VAL 13 2.807 4.064 -2.195 93 HG13 VAL 13 HG13 VAL 13 1.895 3.602 -0.756 94 HG21 VAL 13 HG21 VAL 13 3.779 2.343 0.755 95 HG22 VAL 13 HG22 VAL 13 4.962 3.498 1.377 96 HG23 VAL 13 HG23 VAL 13 5.328 2.549 -0.064 97 H GLU 14 HN GLU 14 4.440 5.349 -3.663 98 HA GLU 14 HA GLU 14 3.968 8.128 -3.490 99 HB2 GLU 14 HB2 GLU 14 4.441 6.979 -5.630 100 HB3 GLU 14 HB1 GLU 14 2.908 6.124 -5.508 101 HG2 GLU 14 HG2 GLU 14 2.782 7.994 -7.064 102 HG3 GLU 14 HG1 GLU 14 1.699 8.217 -5.692 103 H SER 15 HN SER 15 1.932 5.277 -3.444 104 HA SER 15 HA SER 15 0.144 5.856 -1.524 105 HB2 SER 15 HB2 SER 15 -1.875 6.681 -2.883 106 HB3 SER 15 HB1 SER 15 -0.651 7.878 -2.466 107 HG SER 15 HG SER 15 0.094 7.836 -4.537 108 H ILE 16 HN ILE 16 -1.755 4.486 -1.547 109 HA ILE 16 HA ILE 16 -1.269 1.998 -2.767 110 HB ILE 16 HB ILE 16 -3.920 2.926 -1.673 111 HG12 ILE 16 HG12 ILE 16 -1.535 1.762 -0.226 112 HG13 ILE 16 HG11 ILE 16 -2.189 3.386 -0.028 113 HG21 ILE 16 HG21 ILE 16 -4.242 0.555 -1.159 114 HG22 ILE 16 HG22 ILE 16 -2.679 0.183 -1.896 115 HG23 ILE 16 HG23 ILE 16 -3.995 0.813 -2.889 116 HD11 ILE 16 HD11 ILE 16 -2.763 1.644 1.720 117 HD12 ILE 16 HD12 ILE 16 -3.847 0.958 0.524 118 HD13 ILE 16 HD13 ILE 16 -4.080 2.613 1.084 119 H ARG 17 HN ARG 17 -2.567 0.867 -4.282 120 HA ARG 17 HA ARG 17 -3.903 2.603 -6.248 121 HB2 ARG 17 HB2 ARG 17 -1.804 0.576 -6.555 122 HB3 ARG 17 HB1 ARG 17 -3.144 0.390 -7.673 123 HG2 ARG 17 HG2 ARG 17 -2.820 2.810 -8.255 124 HG3 ARG 17 HG1 ARG 17 -1.311 2.741 -7.350 125 HD2 ARG 17 HD2 ARG 17 -0.545 0.915 -8.794 126 HD3 ARG 17 HD1 ARG 17 -2.052 1.004 -9.703 127 HE ARG 17 HE ARG 17 -0.046 3.165 -9.618 128 HH11 ARG 17 HH11 ARG 17 -2.510 1.329 -11.261 129 HH12 ARG 17 HH12 ARG 17 -2.365 2.216 -12.741 130 HH21 ARG 17 HH21 ARG 17 0.150 4.340 -11.563 131 HH22 ARG 17 HH22 ARG 17 -0.853 3.928 -12.914 132 H LYS 18 HN LYS 18 -3.713 -0.648 -4.854 133 HA LYS 18 HA LYS 18 -6.592 -0.944 -5.335 134 HB2 LYS 18 HB2 LYS 18 -4.570 -3.094 -5.884 135 HB3 LYS 18 HB1 LYS 18 -6.303 -3.197 -6.122 136 HG2 LYS 18 HG2 LYS 18 -6.261 -1.754 -7.943 137 HG3 LYS 18 HG1 LYS 18 -4.664 -1.139 -7.527 138 HD2 LYS 18 HD2 LYS 18 -3.685 -3.295 -8.062 139 HD3 LYS 18 HD1 LYS 18 -5.276 -3.922 -8.457 140 HE2 LYS 18 HE2 LYS 18 -5.497 -2.442 -10.306 141 HE3 LYS 18 HE1 LYS 18 -4.049 -1.564 -9.829 142 HZ1 LYS 18 HZ1 LYS 18 -2.736 -3.535 -10.310 143 HZ2 LYS 18 HZ2 LYS 18 -3.609 -3.055 -11.676 144 HZ3 LYS 18 HZ3 LYS 18 -4.129 -4.380 -10.764 145 H LYS 19 HN LYS 19 -7.442 -2.945 -4.198 146 HA LYS 19 HA LYS 19 -5.988 -3.707 -1.792 147 HB2 LYS 19 HB2 LYS 19 -7.209 -1.881 -0.885 148 HB3 LYS 19 HB1 LYS 19 -8.670 -2.334 -1.747 149 HG2 LYS 19 HG2 LYS 19 -8.780 -4.393 -0.382 150 HG3 LYS 19 HG1 LYS 19 -7.380 -3.828 0.525 151 HD2 LYS 19 HD2 LYS 19 -8.676 -1.817 1.159 152 HD3 LYS 19 HD1 LYS 19 -10.081 -2.505 0.344 153 HE2 LYS 19 HE2 LYS 19 -9.727 -4.538 1.833 154 HE3 LYS 19 HE1 LYS 19 -8.644 -3.529 2.774 155 HZ1 LYS 19 HZ1 LYS 19 -11.507 -2.954 2.241 156 HZ2 LYS 19 HZ2 LYS 19 -10.462 -1.978 3.145 157 HZ3 LYS 19 HZ3 LYS 19 -10.869 -3.523 3.702 158 H ARG 20 HN ARG 20 -6.148 -5.853 -1.601 159 HA ARG 20 HA ARG 20 -8.645 -7.129 -2.455 160 HB2 ARG 20 HB2 ARG 20 -7.614 -8.731 -3.759 161 HB3 ARG 20 HB1 ARG 20 -6.639 -7.315 -4.110 162 HG2 ARG 20 HG2 ARG 20 -4.890 -8.075 -2.685 163 HG3 ARG 20 HG1 ARG 20 -5.890 -9.390 -2.065 164 HD2 ARG 20 HD2 ARG 20 -5.970 -10.363 -4.320 165 HD3 ARG 20 HD1 ARG 20 -4.922 -9.069 -4.899 166 HE ARG 20 HE ARG 20 -3.878 -10.630 -2.697 167 HH11 ARG 20 HH11 ARG 20 -4.034 -10.192 -6.150 168 HH12 ARG 20 HH12 ARG 20 -2.583 -11.085 -6.458 169 HH21 ARG 20 HH21 ARG 20 -1.966 -11.809 -3.095 170 HH22 ARG 20 HH22 ARG 20 -1.408 -12.004 -4.723 171 H VAL 21 HN VAL 21 -9.425 -8.610 -1.097 172 HA VAL 21 HA VAL 21 -7.769 -9.284 1.240 173 HB VAL 21 HB VAL 21 -10.767 -8.961 1.053 174 HG11 VAL 21 HG11 VAL 21 -9.179 -9.662 3.509 175 HG12 VAL 21 HG12 VAL 21 -10.009 -10.871 2.523 176 HG13 VAL 21 HG13 VAL 21 -10.934 -9.607 3.331 177 HG21 VAL 21 HG21 VAL 21 -8.906 -7.528 2.908 178 HG22 VAL 21 HG22 VAL 21 -10.517 -7.052 2.357 179 HG23 VAL 21 HG23 VAL 21 -9.144 -6.957 1.253 180 H ARG 22 HN ARG 22 -7.894 -11.411 2.080 181 HA ARG 22 HA ARG 22 -9.169 -13.424 0.358 182 HB2 ARG 22 HB2 ARG 22 -6.640 -13.143 -0.025 183 HB3 ARG 22 HB1 ARG 22 -6.440 -13.835 1.574 184 HG2 ARG 22 HG2 ARG 22 -7.771 -15.806 0.771 185 HG3 ARG 22 HG1 ARG 22 -7.636 -15.122 -0.851 186 HD2 ARG 22 HD2 ARG 22 -5.124 -15.050 -0.416 187 HD3 ARG 22 HD1 ARG 22 -5.451 -16.107 0.953 188 HE ARG 22 HE ARG 22 -6.632 -17.166 -1.382 189 HH11 ARG 22 HH11 ARG 22 -3.525 -16.693 0.125 190 HH12 ARG 22 HH12 ARG 22 -2.795 -18.056 -0.656 191 HH21 ARG 22 HH21 ARG 22 -5.679 -18.962 -2.414 192 HH22 ARG 22 HH22 ARG 22 -4.020 -19.347 -2.097 193 H LYS 23 HN LYS 23 -10.776 -13.999 1.765 194 HA LYS 23 HA LYS 23 -11.782 -14.924 3.586 195 HB2 LYS 23 HB2 LYS 23 -8.990 -15.949 4.063 196 HB3 LYS 23 HB1 LYS 23 -10.385 -16.447 5.008 197 HG2 LYS 23 HG2 LYS 23 -11.268 -17.693 3.309 198 HG3 LYS 23 HG1 LYS 23 -10.517 -16.710 2.056 199 HD2 LYS 23 HD2 LYS 23 -9.460 -18.872 2.099 200 HD3 LYS 23 HD1 LYS 23 -8.322 -17.655 2.681 201 HE2 LYS 23 HE2 LYS 23 -9.004 -18.268 5.006 202 HE3 LYS 23 HE1 LYS 23 -9.919 -19.609 4.323 203 HZ1 LYS 23 HZ1 LYS 23 -6.989 -19.194 4.066 204 HZ2 LYS 23 HZ2 LYS 23 -7.858 -20.467 3.373 205 HZ3 LYS 23 HZ3 LYS 23 -7.747 -20.339 5.055 206 H GLY 24 HN GLY 24 -9.784 -12.437 3.674 207 HA2 GLY 24 HA2 GLY 24 -10.538 -10.834 5.498 208 HA3 GLY 24 HA1 GLY 24 -9.891 -12.052 6.584 209 H LYS 25 HN LYS 25 -7.784 -12.544 4.405 210 HA LYS 25 HA LYS 25 -5.791 -10.859 5.510 211 HB2 LYS 25 HB2 LYS 25 -5.672 -12.564 3.028 212 HB3 LYS 25 HB1 LYS 25 -4.293 -11.898 3.885 213 HG2 LYS 25 HG2 LYS 25 -4.756 -13.274 5.800 214 HG3 LYS 25 HG1 LYS 25 -6.243 -13.864 5.055 215 HD2 LYS 25 HD2 LYS 25 -4.509 -15.518 4.777 216 HD3 LYS 25 HD1 LYS 25 -4.905 -14.799 3.213 217 HE2 LYS 25 HE2 LYS 25 -2.941 -13.482 3.211 218 HE3 LYS 25 HE1 LYS 25 -2.621 -13.829 4.910 219 HZ1 LYS 25 HZ1 LYS 25 -1.181 -15.095 3.421 220 HZ2 LYS 25 HZ2 LYS 25 -2.532 -15.822 2.708 221 HZ3 LYS 25 HZ3 LYS 25 -2.171 -16.120 4.333 222 H VAL 26 HN VAL 26 -5.955 -8.720 5.118 223 HA VAL 26 HA VAL 26 -6.841 -7.734 2.564 224 HB VAL 26 HB VAL 26 -5.680 -6.194 4.878 225 HG11 VAL 26 HG11 VAL 26 -7.367 -5.263 2.559 226 HG12 VAL 26 HG12 VAL 26 -5.627 -5.012 2.715 227 HG13 VAL 26 HG13 VAL 26 -6.733 -4.259 3.863 228 HG21 VAL 26 HG21 VAL 26 -8.570 -6.280 4.254 229 HG22 VAL 26 HG22 VAL 26 -7.769 -5.962 5.789 230 HG23 VAL 26 HG23 VAL 26 -7.862 -7.610 5.164 231 H GLU 27 HN GLU 27 -5.667 -6.720 1.026 232 HA GLU 27 HA GLU 27 -2.778 -6.459 1.372 233 HB2 GLU 27 HB2 GLU 27 -4.156 -7.816 -0.947 234 HB3 GLU 27 HB1 GLU 27 -2.464 -7.357 -0.935 235 HG2 GLU 27 HG2 GLU 27 -2.025 -8.862 0.898 236 HG3 GLU 27 HG1 GLU 27 -3.737 -9.259 1.009 237 H TYR 28 HN TYR 28 -1.844 -4.865 -0.069 238 HA TYR 28 HA TYR 28 -3.825 -3.133 -1.371 239 HB2 TYR 28 HB2 TYR 28 -1.778 -2.355 0.683 240 HB3 TYR 28 HB1 TYR 28 -2.471 -1.175 -0.414 241 HD1 TYR 28 HD1 TYR 28 -5.157 -1.280 -0.488 242 HD2 TYR 28 HD2 TYR 28 -2.745 -2.563 2.776 243 HE1 TYR 28 HE1 TYR 28 -7.056 -1.002 1.029 244 HE2 TYR 28 HE2 TYR 28 -4.646 -2.271 4.297 245 HH TYR 28 HH TYR 28 -7.826 -1.826 3.207 246 H LEU 29 HN LEU 29 -3.252 -3.030 -3.468 247 HA LEU 29 HA LEU 29 -0.613 -3.498 -4.398 248 HB2 LEU 29 HB2 LEU 29 -2.822 -3.708 -5.723 249 HB3 LEU 29 HB1 LEU 29 -2.735 -1.971 -5.912 250 HG LEU 29 HG LEU 29 -1.863 -3.507 -7.816 251 HD11 LEU 29 HD11 LEU 29 -1.683 -1.057 -7.654 252 HD12 LEU 29 HD12 LEU 29 -0.347 -1.815 -8.513 253 HD13 LEU 29 HD13 LEU 29 -0.129 -1.255 -6.853 254 HD21 LEU 29 HD21 LEU 29 0.530 -3.465 -6.004 255 HD22 LEU 29 HD22 LEU 29 0.500 -4.053 -7.664 256 HD23 LEU 29 HD23 LEU 29 -0.415 -4.895 -6.411 257 H VAL 30 HN VAL 30 0.712 -2.126 -3.213 258 HA VAL 30 HA VAL 30 0.269 0.695 -3.104 259 HB VAL 30 HB VAL 30 2.579 0.748 -2.119 260 HG11 VAL 30 HG11 VAL 30 1.913 -0.417 -0.041 261 HG12 VAL 30 HG12 VAL 30 0.555 -1.131 -0.911 262 HG13 VAL 30 HG13 VAL 30 0.641 0.617 -0.690 263 HG21 VAL 30 HG21 VAL 30 3.643 -1.353 -1.533 264 HG22 VAL 30 HG22 VAL 30 3.457 -1.230 -3.282 265 HG23 VAL 30 HG23 VAL 30 2.362 -2.249 -2.348 266 H LYS 31 HN LYS 31 0.976 2.264 -4.375 267 HA LYS 31 HA LYS 31 2.587 1.564 -6.707 268 HB2 LYS 31 HB2 LYS 31 0.498 2.828 -7.069 269 HB3 LYS 31 HB1 LYS 31 1.097 4.114 -6.029 270 HG2 LYS 31 HG2 LYS 31 2.947 4.493 -7.614 271 HG3 LYS 31 HG1 LYS 31 2.259 3.259 -8.673 272 HD2 LYS 31 HD2 LYS 31 0.205 4.575 -8.870 273 HD3 LYS 31 HD1 LYS 31 0.890 5.806 -7.807 274 HE2 LYS 31 HE2 LYS 31 2.003 4.973 -10.484 275 HE3 LYS 31 HE1 LYS 31 1.066 6.433 -10.173 276 HZ1 LYS 31 HZ1 LYS 31 3.424 6.909 -10.214 277 HZ2 LYS 31 HZ2 LYS 31 3.711 5.781 -8.987 278 HZ3 LYS 31 HZ3 LYS 31 2.809 7.174 -8.662 279 H TRP 32 HN TRP 32 4.694 1.623 -6.305 280 HA TRP 32 HA TRP 32 5.911 3.194 -4.284 281 HB2 TRP 32 HB2 TRP 32 7.142 1.771 -6.658 282 HB3 TRP 32 HB1 TRP 32 8.026 2.376 -5.262 283 HD1 TRP 32 HD1 TRP 32 6.627 -0.725 -6.519 284 HE1 TRP 32 HE1 TRP 32 6.267 -2.437 -4.630 285 HE3 TRP 32 HE3 TRP 32 7.095 2.393 -2.513 286 HZ2 TRP 32 HZ2 TRP 32 6.187 -2.455 -1.803 287 HZ3 TRP 32 HZ3 TRP 32 6.861 1.461 -0.251 288 HH2 TRP 32 HH2 TRP 32 6.411 -0.911 0.094 289 H LYS 33 HN LYS 33 6.682 5.208 -4.328 290 HA LYS 33 HA LYS 33 6.101 6.987 -6.413 291 HB2 LYS 33 HB2 LYS 33 6.381 7.671 -4.072 292 HB3 LYS 33 HB1 LYS 33 8.098 7.305 -4.170 293 HG2 LYS 33 HG2 LYS 33 8.576 9.199 -5.298 294 HG3 LYS 33 HG1 LYS 33 7.055 9.183 -6.187 295 HD2 LYS 33 HD2 LYS 33 7.096 11.075 -4.686 296 HD3 LYS 33 HD1 LYS 33 5.887 9.909 -4.146 297 HE2 LYS 33 HE2 LYS 33 7.116 10.707 -2.236 298 HE3 LYS 33 HE1 LYS 33 7.531 9.019 -2.531 299 HZ1 LYS 33 HZ1 LYS 33 9.558 9.748 -3.630 300 HZ2 LYS 33 HZ2 LYS 33 9.494 10.325 -2.041 301 HZ3 LYS 33 HZ3 LYS 33 9.163 11.366 -3.332 302 H GLY 34 HN GLY 34 9.302 5.812 -5.343 303 HA2 GLY 34 HA2 GLY 34 10.617 6.939 -7.627 304 HA3 GLY 34 HA1 GLY 34 11.342 5.889 -6.421 305 H TRP 35 HN TRP 35 8.486 4.676 -7.902 306 HA TRP 35 HA TRP 35 10.006 3.262 -9.961 307 HB2 TRP 35 HB2 TRP 35 8.539 1.942 -7.694 308 HB3 TRP 35 HB1 TRP 35 8.833 1.105 -9.208 309 HD1 TRP 35 HD1 TRP 35 10.674 2.480 -6.140 310 HE1 TRP 35 HE1 TRP 35 13.009 1.402 -6.039 311 HE3 TRP 35 HE3 TRP 35 10.635 0.034 -10.628 312 HZ2 TRP 35 HZ2 TRP 35 14.622 -0.267 -7.648 313 HZ3 TRP 35 HZ3 TRP 35 12.612 -1.281 -11.272 314 HH2 TRP 35 HH2 TRP 35 14.564 -1.428 -9.812 315 HA PRO 36 HA PRO 36 6.337 3.783 -12.335 316 HB2 PRO 36 HB2 PRO 36 6.768 1.236 -13.687 317 HB3 PRO 36 HB1 PRO 36 6.920 2.871 -14.326 318 HG2 PRO 36 HG2 PRO 36 9.040 1.234 -13.890 319 HG3 PRO 36 HG1 PRO 36 9.135 2.994 -13.817 320 HD2 PRO 36 HD2 PRO 36 9.005 1.006 -11.601 321 HD3 PRO 36 HD1 PRO 36 9.911 2.522 -11.708 322 HA PRO 37 HA PRO 37 3.043 1.402 -10.560 323 HB2 PRO 37 HB2 PRO 37 1.280 1.262 -12.659 324 HB3 PRO 37 HB1 PRO 37 1.476 2.684 -11.630 325 HG2 PRO 37 HG2 PRO 37 2.631 2.126 -14.332 326 HG3 PRO 37 HG1 PRO 37 1.943 3.632 -13.697 327 HD2 PRO 37 HD2 PRO 37 4.599 3.249 -13.865 328 HD3 PRO 37 HD1 PRO 37 3.871 4.168 -12.531 329 H LYS 38 HN LYS 38 4.714 0.429 -13.376 330 HA LYS 38 HA LYS 38 3.512 -2.118 -13.771 331 HB2 LYS 38 HB2 LYS 38 6.239 -1.090 -14.571 332 HB3 LYS 38 HB1 LYS 38 5.497 -2.570 -15.171 333 HG2 LYS 38 HG2 LYS 38 3.778 -1.337 -16.283 334 HG3 LYS 38 HG1 LYS 38 4.308 0.170 -15.536 335 HD2 LYS 38 HD2 LYS 38 5.920 -1.494 -17.465 336 HD3 LYS 38 HD1 LYS 38 5.052 -0.011 -17.868 337 HE2 LYS 38 HE2 LYS 38 6.443 1.141 -16.112 338 HE3 LYS 38 HE1 LYS 38 7.409 -0.330 -16.023 339 HZ1 LYS 38 HZ1 LYS 38 8.423 1.272 -17.503 340 HZ2 LYS 38 HZ2 LYS 38 7.018 1.345 -18.444 341 HZ3 LYS 38 HZ3 LYS 38 7.919 -0.086 -18.381 342 H TYR 39 HN TYR 39 5.884 -0.868 -11.618 343 HA TYR 39 HA TYR 39 6.738 -3.559 -10.850 344 HB2 TYR 39 HB2 TYR 39 7.881 -0.825 -10.324 345 HB3 TYR 39 HB1 TYR 39 8.432 -2.248 -9.459 346 HD1 TYR 39 HD2 TYR 39 9.708 -3.991 -10.595 347 HD2 TYR 39 HD1 TYR 39 8.400 -0.508 -12.645 348 HE1 TYR 39 HE2 TYR 39 11.270 -4.494 -12.429 349 HE2 TYR 39 HE1 TYR 39 9.951 -0.997 -14.481 350 HH TYR 39 HH TYR 39 12.035 -2.247 -14.855 351 H SER 40 HN SER 40 4.233 -1.759 -10.106 352 HA SER 40 HA SER 40 4.197 -1.270 -7.393 353 HB2 SER 40 HB2 SER 40 1.948 -2.363 -9.085 354 HB3 SER 40 HB1 SER 40 1.759 -1.678 -7.475 355 HG SER 40 HG SER 40 3.105 -0.121 -9.342 356 H THR 41 HN THR 41 3.298 -2.530 -5.599 357 HA THR 41 HA THR 41 3.459 -5.424 -6.017 358 HB THR 41 HB THR 41 4.862 -5.777 -4.073 359 HG1 THR 41 HG1 THR 41 4.071 -3.638 -3.128 360 HG21 THR 41 HG21 THR 41 5.853 -5.192 -6.376 361 HG22 THR 41 HG22 THR 41 6.922 -5.113 -4.975 362 HG23 THR 41 HG23 THR 41 6.249 -3.632 -5.657 363 H TRP 42 HN TRP 42 2.479 -6.708 -4.378 364 HA TRP 42 HA TRP 42 0.237 -5.342 -3.103 365 HB2 TRP 42 HB2 TRP 42 0.824 -8.220 -3.756 366 HB3 TRP 42 HB1 TRP 42 -0.481 -7.778 -2.660 367 HD1 TRP 42 HD1 TRP 42 0.369 -8.028 -6.309 368 HE1 TRP 42 HE1 TRP 42 -1.672 -7.336 -7.716 369 HE3 TRP 42 HE3 TRP 42 -2.543 -6.042 -2.597 370 HZ2 TRP 42 HZ2 TRP 42 -4.182 -6.112 -7.302 371 HZ3 TRP 42 HZ3 TRP 42 -4.752 -5.136 -3.196 372 HH2 TRP 42 HH2 TRP 42 -5.545 -5.169 -5.508 373 H GLU 43 HN GLU 43 0.664 -4.594 -1.128 374 HA GLU 43 HA GLU 43 2.215 -6.305 0.693 375 HB2 GLU 43 HB2 GLU 43 1.811 -3.313 0.830 376 HB3 GLU 43 HB1 GLU 43 2.794 -4.273 1.927 377 HG2 GLU 43 HG2 GLU 43 3.288 -3.814 -1.006 378 HG3 GLU 43 HG1 GLU 43 4.207 -3.149 0.344 379 HA PRO 44 HA PRO 44 -1.715 -7.039 2.725 380 HB2 PRO 44 HB2 PRO 44 -0.489 -7.781 5.137 381 HB3 PRO 44 HB1 PRO 44 -0.976 -8.868 3.833 382 HG2 PRO 44 HG2 PRO 44 1.699 -7.714 4.441 383 HG3 PRO 44 HG1 PRO 44 1.284 -9.309 3.788 384 HD2 PRO 44 HD2 PRO 44 2.274 -7.388 2.216 385 HD3 PRO 44 HD1 PRO 44 1.006 -8.486 1.630 386 H GLU 45 HN GLU 45 -2.975 -5.999 4.168 387 HA GLU 45 HA GLU 45 -2.520 -3.351 4.762 388 HB2 GLU 45 HB2 GLU 45 -4.726 -4.315 4.733 389 HB3 GLU 45 HB1 GLU 45 -4.351 -5.355 6.094 390 HG2 GLU 45 HG2 GLU 45 -4.214 -2.386 6.366 391 HG3 GLU 45 HG1 GLU 45 -5.759 -3.216 6.437 392 H GLU 46 HN GLU 46 -1.391 -6.148 6.414 393 HA GLU 46 HA GLU 46 -0.874 -4.859 8.921 394 HB2 GLU 46 HB2 GLU 46 0.095 -7.475 7.785 395 HB3 GLU 46 HB1 GLU 46 0.367 -6.937 9.438 396 HG2 GLU 46 HG2 GLU 46 -1.459 -8.383 9.537 397 HG3 GLU 46 HG1 GLU 46 -2.142 -6.770 9.655 398 H HIS 47 HN HIS 47 0.975 -5.619 6.013 399 HA HIS 47 HA HIS 47 3.491 -4.824 7.124 400 HB2 HIS 47 HB2 HIS 47 2.530 -5.634 4.418 401 HB3 HIS 47 HB1 HIS 47 4.057 -4.766 4.537 402 HD1 HIS 47 HD1 HIS 47 3.441 -7.911 3.825 403 HD2 HIS 47 HD2 HIS 47 5.175 -6.324 7.253 404 HE1 HIS 47 HE1 HIS 47 4.803 -9.778 4.816 405 HE2 HIS 47 HE2 HIS 47 5.774 -8.820 6.933 406 H ILE 48 HN ILE 48 0.958 -3.166 5.324 407 HA ILE 48 HA ILE 48 2.361 -0.914 4.459 408 HB ILE 48 HB ILE 48 -0.420 -0.791 5.649 409 HG12 ILE 48 HG12 ILE 48 -0.190 -2.641 3.959 410 HG13 ILE 48 HG11 ILE 48 -1.337 -1.386 3.516 411 HG21 ILE 48 HG21 ILE 48 -0.631 0.975 3.807 412 HG22 ILE 48 HG22 ILE 48 1.129 0.917 3.734 413 HG23 ILE 48 HG23 ILE 48 0.323 1.382 5.232 414 HD11 ILE 48 HD11 ILE 48 -0.048 -0.623 1.799 415 HD12 ILE 48 HD12 ILE 48 0.362 -2.338 1.777 416 HD13 ILE 48 HD13 ILE 48 1.458 -1.178 2.529 417 H LEU 49 HN LEU 49 3.829 -0.053 5.727 418 HA LEU 49 HA LEU 49 3.669 0.150 8.548 419 HB2 LEU 49 HB2 LEU 49 5.476 1.737 6.764 420 HB3 LEU 49 HB1 LEU 49 5.768 1.252 8.413 421 HG LEU 49 HG LEU 49 5.496 -0.778 6.227 422 HD11 LEU 49 HD11 LEU 49 7.147 0.730 5.445 423 HD12 LEU 49 HD12 LEU 49 7.946 -0.725 6.037 424 HD13 LEU 49 HD13 LEU 49 7.956 0.749 7.010 425 HD21 LEU 49 HD21 LEU 49 5.402 -1.576 8.481 426 HD22 LEU 49 HD22 LEU 49 6.896 -0.744 8.887 427 HD23 LEU 49 HD23 LEU 49 6.912 -2.084 7.738 428 H ASP 50 HN ASP 50 1.910 1.809 6.363 429 HA ASP 50 HA ASP 50 1.665 4.091 8.178 430 HB2 ASP 50 HB2 ASP 50 3.120 4.864 6.391 431 HB3 ASP 50 HB1 ASP 50 1.963 4.312 5.181 432 HA PRO 51 HA PRO 51 -2.594 2.681 7.471 433 HB2 PRO 51 HB2 PRO 51 -3.136 4.632 9.598 434 HB3 PRO 51 HB1 PRO 51 -3.506 2.909 9.548 435 HG2 PRO 51 HG2 PRO 51 -1.598 3.874 11.158 436 HG3 PRO 51 HG1 PRO 51 -1.410 2.311 10.342 437 HD2 PRO 51 HD2 PRO 51 -0.241 4.968 9.618 438 HD3 PRO 51 HD1 PRO 51 0.516 3.363 9.632 439 H ARG 52 HN ARG 52 -1.165 5.849 7.443 440 HA ARG 52 HA ARG 52 -3.396 7.365 6.671 441 HB2 ARG 52 HB2 ARG 52 -0.501 7.684 6.740 442 HB3 ARG 52 HB1 ARG 52 -1.213 8.479 5.347 443 HG2 ARG 52 HG2 ARG 52 -2.189 8.894 8.157 444 HG3 ARG 52 HG1 ARG 52 -0.949 9.892 7.398 445 HD2 ARG 52 HD2 ARG 52 -2.525 10.496 5.623 446 HD3 ARG 52 HD1 ARG 52 -3.762 9.494 6.383 447 HE ARG 52 HE ARG 52 -2.865 11.336 8.276 448 HH11 ARG 52 HH11 ARG 52 -4.575 11.315 5.238 449 HH12 ARG 52 HH12 ARG 52 -5.494 12.738 5.599 450 HH21 ARG 52 HH21 ARG 52 -4.073 13.210 8.758 451 HH22 ARG 52 HH22 ARG 52 -5.208 13.815 7.598 452 H LEU 53 HN LEU 53 -1.060 5.445 4.872 453 HA LEU 53 HA LEU 53 -1.887 6.038 2.255 454 HB2 LEU 53 HB2 LEU 53 -0.611 3.636 3.546 455 HB3 LEU 53 HB1 LEU 53 -1.040 3.614 1.850 456 HG LEU 53 HG LEU 53 0.726 5.777 2.952 457 HD11 LEU 53 HD11 LEU 53 1.555 3.039 2.000 458 HD12 LEU 53 HD12 LEU 53 1.764 3.693 3.623 459 HD13 LEU 53 HD13 LEU 53 2.652 4.392 2.271 460 HD21 LEU 53 HD21 LEU 53 0.458 4.497 0.235 461 HD22 LEU 53 HD22 LEU 53 1.518 5.847 0.650 462 HD23 LEU 53 HD23 LEU 53 -0.234 6.050 0.710 463 H VAL 54 HN VAL 54 -2.870 3.559 4.549 464 HA VAL 54 HA VAL 54 -4.783 2.232 2.987 465 HB VAL 54 HB VAL 54 -4.470 2.519 5.975 466 HG11 VAL 54 HG11 VAL 54 -6.689 1.454 4.478 467 HG12 VAL 54 HG12 VAL 54 -6.530 1.719 6.211 468 HG13 VAL 54 HG13 VAL 54 -5.943 0.219 5.488 469 HG21 VAL 54 HG21 VAL 54 -3.749 0.391 3.985 470 HG22 VAL 54 HG22 VAL 54 -3.735 0.125 5.729 471 HG23 VAL 54 HG23 VAL 54 -2.662 1.326 5.009 472 H MET 55 HN MET 55 -5.342 4.540 5.633 473 HA MET 55 HA MET 55 -8.039 4.899 5.395 474 HB2 MET 55 HB2 MET 55 -6.413 5.930 7.080 475 HB3 MET 55 HB1 MET 55 -6.182 7.202 5.901 476 HG2 MET 55 HG2 MET 55 -7.881 8.227 6.887 477 HG3 MET 55 HG1 MET 55 -8.904 7.041 6.091 478 HE1 MET 55 HE1 MET 55 -7.865 4.495 7.479 479 HE2 MET 55 HE2 MET 55 -9.627 4.593 7.486 480 HE3 MET 55 HE3 MET 55 -8.758 4.246 8.981 481 H ALA 56 HN ALA 56 -5.520 6.818 3.799 482 HA ALA 56 HA ALA 56 -7.131 8.467 2.263 483 HB1 ALA 56 HB1 ALA 56 -4.519 8.334 2.585 484 HB2 ALA 56 HB2 ALA 56 -5.229 9.098 1.164 485 HB3 ALA 56 HB3 ALA 56 -4.607 7.450 1.063 486 H TYR 57 HN TYR 57 -5.959 5.202 1.583 487 HA TYR 57 HA TYR 57 -6.819 4.973 -1.057 488 HB2 TYR 57 HB2 TYR 57 -5.400 3.281 -0.022 489 HB3 TYR 57 HB1 TYR 57 -6.698 2.835 1.082 490 HD1 TYR 57 HD1 TYR 57 -5.653 2.818 -2.450 491 HD2 TYR 57 HD2 TYR 57 -8.409 1.344 0.420 492 HE1 TYR 57 HE1 TYR 57 -6.526 1.225 -4.119 493 HE2 TYR 57 HE2 TYR 57 -9.291 -0.252 -1.224 494 HH TYR 57 HH TYR 57 -7.729 -0.921 -4.157 495 H GLU 58 HN GLU 58 -8.503 3.996 1.917 496 HA GLU 58 HA GLU 58 -10.947 3.375 0.630 497 HB2 GLU 58 HB2 GLU 58 -10.716 4.126 3.492 498 HB3 GLU 58 HB1 GLU 58 -11.833 2.999 2.759 499 HG2 GLU 58 HG2 GLU 58 -10.076 1.418 2.399 500 HG3 GLU 58 HG1 GLU 58 -8.864 2.571 2.950 501 H GLU 59 HN GLU 59 -9.478 6.296 1.242 502 HA GLU 59 HA GLU 59 -11.882 7.824 1.745 503 HB2 GLU 59 HB2 GLU 59 -10.385 9.228 2.628 504 HB3 GLU 59 HB1 GLU 59 -9.064 8.236 2.024 505 HG2 GLU 59 HG2 GLU 59 -9.094 9.446 -0.075 506 HG3 GLU 59 HG1 GLU 59 -10.453 10.417 0.491 507 H LYS 60 HN LYS 60 -9.618 7.270 -0.909 508 HA LYS 60 HA LYS 60 -10.851 9.047 -2.736 509 HB2 LYS 60 HB2 LYS 60 -9.246 6.596 -3.443 510 HB3 LYS 60 HB1 LYS 60 -9.451 8.057 -4.396 511 HG2 LYS 60 HG2 LYS 60 -7.818 9.119 -3.328 512 HG3 LYS 60 HG1 LYS 60 -8.334 8.526 -1.747 513 HD2 LYS 60 HD2 LYS 60 -6.293 7.500 -1.981 514 HD3 LYS 60 HD1 LYS 60 -7.374 6.260 -2.612 515 HE2 LYS 60 HE2 LYS 60 -6.939 7.152 -4.900 516 HE3 LYS 60 HE1 LYS 60 -5.723 8.219 -4.200 517 HZ1 LYS 60 HZ1 LYS 60 -5.684 5.251 -4.090 518 HZ2 LYS 60 HZ2 LYS 60 -4.518 6.275 -3.419 519 HZ3 LYS 60 HZ3 LYS 60 -4.724 6.214 -5.096 520 H GLU 61 HN GLU 61 -11.117 5.570 -2.144 521 HA GLU 61 HA GLU 61 -12.928 5.027 -4.229 522 HB2 GLU 61 HB2 GLU 61 -12.404 3.582 -1.640 523 HB3 GLU 61 HB1 GLU 61 -13.420 2.953 -2.930 524 HG2 GLU 61 HG2 GLU 61 -10.498 3.618 -3.162 525 HG3 GLU 61 HG1 GLU 61 -11.189 2.012 -2.985 526 H GLU 62 HN GLU 62 -13.520 5.473 -0.740 527 HA GLU 62 HA GLU 62 -16.246 5.147 -0.736 528 HB2 GLU 62 HB2 GLU 62 -16.347 6.510 1.257 529 HB3 GLU 62 HB1 GLU 62 -14.899 5.514 1.301 530 HG2 GLU 62 HG2 GLU 62 -13.523 7.374 0.723 531 HG3 GLU 62 HG1 GLU 62 -14.935 8.384 0.429 532 H ARG 63 HN ARG 63 -14.436 8.091 -1.513 533 HA ARG 63 HA ARG 63 -16.628 9.786 -1.902 534 HB2 ARG 63 HB2 ARG 63 -14.132 10.338 -1.742 535 HB3 ARG 63 HB1 ARG 63 -14.134 10.029 -3.463 536 HG2 ARG 63 HG2 ARG 63 -15.453 11.848 -3.951 537 HG3 ARG 63 HG1 ARG 63 -16.109 11.927 -2.314 538 HD2 ARG 63 HD2 ARG 63 -13.802 12.530 -1.541 539 HD3 ARG 63 HD1 ARG 63 -13.350 12.695 -3.236 540 HE ARG 63 HE ARG 63 -15.620 14.253 -2.813 541 HH11 ARG 63 HH11 ARG 63 -12.292 14.151 -1.781 542 HH12 ARG 63 HH12 ARG 63 -12.176 15.864 -1.556 543 HH21 ARG 63 HH21 ARG 63 -15.474 16.507 -2.519 544 HH22 ARG 63 HH22 ARG 63 -13.985 17.204 -1.977 545 H ASP 64 HN ASP 64 -14.845 7.779 -4.230 546 HA ASP 64 HA ASP 64 -16.497 8.598 -6.429 547 HB2 ASP 64 HB2 ASP 64 -14.135 7.875 -6.715 548 HB3 ASP 64 HB1 ASP 64 -14.609 6.255 -6.240 549 H ARG 65 HN ARG 65 -15.920 5.433 -4.979 550 HA ARG 65 HA ARG 65 -17.980 3.991 -5.979 551 HB2 ARG 65 HB2 ARG 65 -16.990 3.847 -3.140 552 HB3 ARG 65 HB1 ARG 65 -17.827 2.572 -4.014 553 HG2 ARG 65 HG2 ARG 65 -15.878 2.796 -5.703 554 HG3 ARG 65 HG1 ARG 65 -15.043 3.592 -4.365 555 HD2 ARG 65 HD2 ARG 65 -14.533 1.244 -4.416 556 HD3 ARG 65 HD1 ARG 65 -15.437 1.638 -2.960 557 HE ARG 65 HE ARG 65 -17.280 0.819 -4.864 558 HH11 ARG 65 HH11 ARG 65 -14.567 -0.544 -3.152 559 HH12 ARG 65 HH12 ARG 65 -15.194 -2.158 -3.183 560 HH21 ARG 65 HH21 ARG 65 -18.112 -1.305 -4.906 561 HH22 ARG 65 HH22 ARG 65 -17.208 -2.590 -4.179 562 H ALA 66 HN ALA 66 -18.249 5.076 -2.641 563 HA ALA 66 HA ALA 66 -20.501 6.668 -2.794 564 HB1 ALA 66 HB1 ALA 66 -21.058 4.019 -3.344 565 HB2 ALA 66 HB2 ALA 66 -22.223 5.309 -3.063 566 HB3 ALA 66 HB3 ALA 66 -21.676 4.296 -1.720 567 H SER 67 HN SER 67 -18.932 4.061 -1.070 568 HA SER 67 HA SER 67 -18.327 5.587 1.229 569 HB2 SER 67 HB2 SER 67 -20.738 3.780 1.412 570 HB3 SER 67 HB1 SER 67 -19.776 4.191 2.830 571 HG SER 67 HG SER 67 -21.044 5.869 2.886 572 H GLY 68 HN GLY 68 -19.259 2.240 0.415 573 HA2 GLY 68 HA2 GLY 68 -16.909 0.999 0.125 574 HA3 GLY 68 HA1 GLY 68 -16.965 1.205 1.871 575 H TYR 69 HN TYR 69 -17.142 -0.938 2.417 576 HA TYR 69 HA TYR 69 -19.193 -2.587 1.199 577 HB2 TYR 69 HB2 TYR 69 -17.083 -3.105 3.287 578 HB3 TYR 69 HB1 TYR 69 -18.334 -4.281 2.921 579 HD1 TYR 69 HD2 TYR 69 -16.478 -2.073 0.548 580 HD2 TYR 69 HD1 TYR 69 -17.166 -6.017 1.962 581 HE1 TYR 69 HE2 TYR 69 -15.118 -2.964 -1.298 582 HE2 TYR 69 HE1 TYR 69 -15.811 -6.926 0.125 583 HH TYR 69 HH TYR 69 -15.059 -6.270 -2.106 584 H ARG 70 HN ARG 70 -21.167 -2.951 1.995 585 HA ARG 70 HA ARG 70 -21.819 -1.806 4.621 586 HB2 ARG 70 HB2 ARG 70 -23.015 -1.342 2.237 587 HB3 ARG 70 HB1 ARG 70 -23.995 -2.676 2.818 588 HG2 ARG 70 HG2 ARG 70 -24.995 -0.578 3.416 589 HG3 ARG 70 HG1 ARG 70 -24.456 -1.413 4.874 590 HD2 ARG 70 HD2 ARG 70 -22.398 -0.016 4.822 591 HD3 ARG 70 HD1 ARG 70 -23.085 0.864 3.458 592 HE ARG 70 HE ARG 70 -24.861 0.854 5.672 593 HH11 ARG 70 HH11 ARG 70 -21.954 2.343 4.453 594 HH12 ARG 70 HH12 ARG 70 -22.178 3.809 5.346 595 HH21 ARG 70 HH21 ARG 70 -25.162 2.782 6.851 596 HH22 ARG 70 HH22 ARG 70 -24.000 4.058 6.709 597 H LYS 71 HN LYS 71 -24.254 -3.143 4.998 598 HA LYS 71 HA LYS 71 -23.378 -5.929 5.402 599 HB2 LYS 71 HB2 LYS 71 -23.367 -4.690 7.523 600 HB3 LYS 71 HB1 LYS 71 -25.049 -4.238 7.274 601 HG2 LYS 71 HG2 LYS 71 -25.676 -6.619 7.361 602 HG3 LYS 71 HG1 LYS 71 -23.990 -7.030 7.681 603 HD2 LYS 71 HD2 LYS 71 -25.149 -6.989 9.774 604 HD3 LYS 71 HD1 LYS 71 -24.099 -5.572 9.708 605 HE2 LYS 71 HE2 LYS 71 -26.305 -5.014 10.605 606 HE3 LYS 71 HE1 LYS 71 -25.995 -4.177 9.084 607 HZ1 LYS 71 HZ1 LYS 71 -27.632 -6.634 9.406 608 HZ2 LYS 71 HZ2 LYS 71 -27.330 -5.842 7.943 609 HZ3 LYS 71 HZ3 LYS 71 -28.231 -5.073 9.151 610 H1 ALA 15 HT1 ALA 15 -0.041 15.722 -3.151 611 H2 ALA 15 HT2 ALA 15 -1.380 14.714 -3.371 612 H3 ALA 15 HT3 ALA 15 -0.172 14.280 -2.275 613 HA ALA 15 HA ALA 15 -2.108 16.497 -2.060 614 HB1 ALA 15 HB1 ALA 15 -1.603 14.123 -0.274 615 HB2 ALA 15 HB2 ALA 15 -2.944 14.304 -1.404 616 HB3 ALA 15 HB3 ALA 15 -2.812 15.380 -0.014 617 HA PRO 16 HA PRO 16 1.039 17.235 1.492 618 HB2 PRO 16 HB2 PRO 16 3.340 15.833 1.568 619 HB3 PRO 16 HB1 PRO 16 1.848 15.233 2.305 620 HG2 PRO 16 HG2 PRO 16 3.074 14.530 -0.335 621 HG3 PRO 16 HG1 PRO 16 2.348 13.461 0.881 622 HD2 PRO 16 HD2 PRO 16 1.031 14.285 -1.352 623 HD3 PRO 16 HD1 PRO 16 0.207 13.903 0.172 624 H ARG 17 HN ARG 17 1.770 19.174 0.906 625 HA ARG 17 HA ARG 17 3.150 19.697 -1.512 626 HB2 ARG 17 HB2 ARG 17 1.743 21.368 -0.367 627 HB3 ARG 17 HB1 ARG 17 2.896 21.422 0.960 628 HG2 ARG 17 HG2 ARG 17 4.528 22.471 -0.352 629 HG3 ARG 17 HG1 ARG 17 3.697 22.072 -1.856 630 HD2 ARG 17 HD2 ARG 17 2.628 23.934 0.260 631 HD3 ARG 17 HD1 ARG 17 3.464 24.451 -1.203 632 HE ARG 17 HE ARG 17 1.344 22.814 -1.969 633 HH11 ARG 17 HH11 ARG 17 1.845 25.904 -0.438 634 HH12 ARG 17 HH12 ARG 17 0.359 26.577 -1.019 635 HH21 ARG 17 HH21 ARG 17 -0.613 23.693 -2.740 636 HH22 ARG 17 HH22 ARG 17 -1.038 25.321 -2.329 637 H LYS 18 HN LYS 18 4.173 18.698 1.605 638 HA LYS 18 HA LYS 18 6.982 19.133 0.828 639 HB2 LYS 18 HB2 LYS 18 6.272 20.542 2.755 640 HB3 LYS 18 HB1 LYS 18 5.872 19.077 3.641 641 HG2 LYS 18 HG2 LYS 18 8.005 19.851 4.378 642 HG3 LYS 18 HG1 LYS 18 8.246 18.376 3.441 643 HD2 LYS 18 HD2 LYS 18 8.886 19.702 1.497 644 HD3 LYS 18 HD1 LYS 18 8.607 21.189 2.407 645 HE2 LYS 18 HE2 LYS 18 10.657 19.067 3.041 646 HE3 LYS 18 HE1 LYS 18 10.983 20.645 2.326 647 HZ1 LYS 18 HZ1 LYS 18 9.858 20.163 5.034 648 HZ2 LYS 18 HZ2 LYS 18 10.144 21.684 4.350 649 HZ3 LYS 18 HZ3 LYS 18 11.441 20.652 4.690 650 H GLN 19 HN GLN 19 7.397 17.138 -0.035 651 HA GLN 19 HA GLN 19 6.511 14.722 1.221 652 HB2 GLN 19 HB2 GLN 19 7.944 13.609 -0.503 653 HB3 GLN 19 HB1 GLN 19 6.734 14.702 -1.158 654 HG2 GLN 19 HG2 GLN 19 8.451 16.426 -1.433 655 HG3 GLN 19 HG1 GLN 19 9.659 15.308 -0.805 656 HE21 GLN 19 HE21 GLN 19 10.298 13.549 -2.059 657 HE22 GLN 19 HE22 GLN 19 9.990 13.477 -3.757 658 H LEU 20 HN LEU 20 7.354 13.953 3.008 659 HA LEU 20 HA LEU 20 10.239 13.716 3.275 660 HB2 LEU 20 HB2 LEU 20 9.683 15.869 4.349 661 HB3 LEU 20 HB1 LEU 20 8.539 15.045 5.391 662 HG LEU 20 HG LEU 20 10.447 13.720 6.328 663 HD11 LEU 20 HD11 LEU 20 11.996 13.960 4.463 664 HD12 LEU 20 HD12 LEU 20 12.715 14.549 5.962 665 HD13 LEU 20 HD13 LEU 20 12.107 15.694 4.766 666 HD21 LEU 20 HD21 LEU 20 10.603 16.722 6.583 667 HD22 LEU 20 HD22 LEU 20 11.312 15.560 7.705 668 HD23 LEU 20 HD23 LEU 20 9.561 15.645 7.513 669 H ALA 21 HN ALA 21 9.413 11.519 2.813 670 HA ALA 21 HA ALA 21 8.997 9.383 3.459 671 HB1 ALA 21 HB1 ALA 21 9.427 8.749 5.765 672 HB2 ALA 21 HB2 ALA 21 9.395 10.442 6.256 673 HB3 ALA 21 HB3 ALA 21 10.671 9.858 5.188 674 H THR 22 HN THR 22 7.627 10.674 6.429 675 HA THR 22 HA THR 22 5.572 10.352 7.366 676 HB THR 22 HB THR 22 3.679 11.295 5.980 677 HG1 THR 22 HG1 THR 22 4.022 11.617 3.922 678 HG21 THR 22 HG21 THR 22 6.190 12.947 6.273 679 HG22 THR 22 HG22 THR 22 4.951 12.696 7.505 680 HG23 THR 22 HG23 THR 22 4.566 13.594 6.037 681 H LYS 23 HN LYS 23 4.112 9.810 4.241 682 HA LYS 23 HA LYS 23 3.054 7.289 5.135 683 HB2 LYS 23 HB2 LYS 23 2.804 8.597 2.419 684 HB3 LYS 23 HB1 LYS 23 1.804 7.295 3.052 685 HG2 LYS 23 HG2 LYS 23 0.838 8.748 4.693 686 HG3 LYS 23 HG1 LYS 23 1.960 10.043 4.272 687 HD2 LYS 23 HD2 LYS 23 -0.168 10.511 3.261 688 HD3 LYS 23 HD1 LYS 23 0.976 10.077 1.990 689 HE2 LYS 23 HE2 LYS 23 0.062 7.795 1.976 690 HE3 LYS 23 HE1 LYS 23 -1.100 8.263 3.215 691 HZ1 LYS 23 HZ1 LYS 23 -0.920 9.368 0.465 692 HZ2 LYS 23 HZ2 LYS 23 -1.988 9.918 1.657 693 HZ3 LYS 23 HZ3 LYS 23 -2.128 8.342 1.059 694 H ALA 24 HN ALA 24 4.321 5.539 5.105 695 HA ALA 24 HA ALA 24 5.742 4.895 2.631 696 HB1 ALA 24 HB1 ALA 24 7.441 5.963 3.933 697 HB2 ALA 24 HB2 ALA 24 7.755 4.226 3.936 698 HB3 ALA 24 HB3 ALA 24 7.032 4.994 5.349 699 H ALA 25 HN ALA 25 6.578 2.638 2.642 700 HA ALA 25 HA ALA 25 5.483 0.754 4.511 701 HB1 ALA 25 HB1 ALA 25 4.014 -0.419 3.007 702 HB2 ALA 25 HB2 ALA 25 4.407 0.691 1.694 703 HB3 ALA 25 HB3 ALA 25 3.510 1.268 3.098 704 H ARG 26 HN ARG 26 6.409 -1.297 4.304 705 HA ARG 26 HA ARG 26 8.850 -1.344 2.751 706 HB2 ARG 26 HB2 ARG 26 9.113 -3.611 3.926 707 HB3 ARG 26 HB1 ARG 26 9.167 -2.160 4.915 708 HG2 ARG 26 HG2 ARG 26 7.834 -3.602 6.140 709 HG3 ARG 26 HG1 ARG 26 6.663 -2.581 5.305 710 HD2 ARG 26 HD2 ARG 26 6.012 -4.932 5.225 711 HD3 ARG 26 HD1 ARG 26 6.350 -4.308 3.613 712 HE ARG 26 HE ARG 26 8.648 -5.533 4.753 713 HH11 ARG 26 HH11 ARG 26 5.606 -6.236 3.200 714 HH12 ARG 26 HH12 ARG 26 6.129 -7.768 2.586 715 HH21 ARG 26 HH21 ARG 26 9.341 -7.546 3.947 716 HH22 ARG 26 HH22 ARG 26 8.250 -8.513 3.011 717 H MLY 27 HN MLY 27 9.457 -3.255 1.460 718 HA MLY 27 HA MLY 27 7.130 -4.289 -0.023 719 HB2 MLY 27 HB2 MLY 27 8.796 -2.816 -1.243 720 HB3 MLY 27 HB1 MLY 27 9.965 -4.113 -1.041 721 HG2 MLY 27 HG2 MLY 27 8.154 -5.584 -2.172 722 HG3 MLY 27 HG1 MLY 27 7.494 -4.042 -2.716 723 HD2 MLY 27 HD2 MLY 27 10.321 -4.981 -3.184 724 HD3 MLY 27 HD1 MLY 27 9.015 -5.068 -4.366 725 HE2 MLY 27 HE2 MLY 27 8.788 -2.599 -4.211 726 HE3 MLY 27 HE1 MLY 27 10.195 -2.574 -3.149 727 HH11 MLY 27 HH11 MLY 27 10.871 -0.970 -5.053 728 HH12 MLY 27 HH12 MLY 27 11.166 -1.694 -6.633 729 HH13 MLY 27 HH13 MLY 27 9.514 -1.498 -6.048 730 HH21 MLY 27 HH21 MLY 27 12.643 -3.321 -5.569 731 HH22 MLY 27 HH22 MLY 27 12.314 -2.601 -3.995 732 HH23 MLY 27 HH23 MLY 27 12.039 -4.325 -4.251 733 HZ MLY 27 HZ MLY 27 10.286 -3.783 -5.815 734 H SER 28 HN SER 28 10.523 -5.278 0.475 735 HA SER 28 HA SER 28 9.685 -7.836 1.545 736 HB2 SER 28 HB2 SER 28 11.161 -7.628 -1.090 737 HB3 SER 28 HB1 SER 28 10.994 -9.118 -0.162 738 HG SER 28 HG SER 28 8.805 -9.072 -0.499 739 H ALA 29 HN ALA 29 12.032 -9.230 1.348 740 HA ALA 29 HA ALA 29 13.954 -7.474 2.736 741 HB1 ALA 29 HB1 ALA 29 14.595 -9.349 4.116 742 HB2 ALA 29 HB2 ALA 29 13.499 -10.413 3.233 743 HB3 ALA 29 HB3 ALA 29 12.851 -9.105 4.224 744 HA PRO 30 HA PRO 30 16.066 -8.860 -1.147 745 HB2 PRO 30 HB2 PRO 30 17.754 -6.559 -0.313 746 HB3 PRO 30 HB1 PRO 30 17.088 -6.950 -1.902 747 HG2 PRO 30 HG2 PRO 30 16.049 -4.984 -0.431 748 HG3 PRO 30 HG1 PRO 30 15.012 -6.048 -1.401 749 HD2 PRO 30 HD2 PRO 30 15.503 -6.049 1.547 750 HD3 PRO 30 HD1 PRO 30 14.002 -6.365 0.652 Start of MODEL 4 1 H MET 1 HT1 MET 1 15.638 -19.154 7.581 2 HA MET 1 HA MET 1 16.962 -20.627 5.376 3 HB2 MET 1 HB2 MET 1 15.539 -21.865 7.179 4 HB3 MET 1 HB1 MET 1 14.170 -21.080 6.391 5 HG2 MET 1 HG2 MET 1 14.729 -22.140 4.293 6 HG3 MET 1 HG1 MET 1 16.160 -22.874 5.015 7 HE1 MET 1 HE1 MET 1 11.824 -23.964 6.170 8 HE2 MET 1 HE2 MET 1 12.246 -22.784 4.928 9 HE3 MET 1 HE3 MET 1 12.578 -22.435 6.626 10 H GLU 2 HN GLU 2 13.855 -19.152 6.258 11 HA GLU 2 HA GLU 2 13.520 -18.248 3.511 12 HB2 GLU 2 HB2 GLU 2 11.539 -17.996 5.765 13 HB3 GLU 2 HB1 GLU 2 11.219 -17.950 4.036 14 HG2 GLU 2 HG2 GLU 2 11.780 -20.295 3.837 15 HG3 GLU 2 HG1 GLU 2 12.206 -20.361 5.550 16 H LEU 3 HN LEU 3 14.331 -17.040 6.623 17 HA LEU 3 HA LEU 3 13.903 -14.276 5.724 18 HB2 LEU 3 HB2 LEU 3 14.225 -13.687 8.142 19 HB3 LEU 3 HB1 LEU 3 12.790 -14.624 7.781 20 HG LEU 3 HG LEU 3 15.264 -16.035 8.699 21 HD11 LEU 3 HD11 LEU 3 14.504 -15.774 11.023 22 HD12 LEU 3 HD12 LEU 3 13.282 -14.623 10.481 23 HD13 LEU 3 HD13 LEU 3 14.994 -14.240 10.303 24 HD21 LEU 3 HD21 LEU 3 12.316 -16.545 9.089 25 HD22 LEU 3 HD22 LEU 3 13.630 -17.592 9.623 26 HD23 LEU 3 HD23 LEU 3 13.350 -17.337 7.901 27 H SER 4 HN SER 4 15.652 -13.546 4.717 28 HA SER 4 HA SER 4 18.307 -14.363 5.575 29 HB2 SER 4 HB2 SER 4 17.435 -12.588 3.282 30 HB3 SER 4 HB1 SER 4 19.080 -13.151 3.571 31 HG SER 4 HG SER 4 18.029 -14.478 2.061 32 H ALA 5 HN ALA 5 19.877 -12.224 5.087 33 HA ALA 5 HA ALA 5 19.697 -10.715 7.436 34 HB1 ALA 5 HB1 ALA 5 21.213 -10.059 4.917 35 HB2 ALA 5 HB2 ALA 5 21.793 -11.089 6.227 36 HB3 ALA 5 HB3 ALA 5 21.509 -9.372 6.515 37 H ILE 6 HN ILE 6 18.291 -10.254 4.322 38 HA ILE 6 HA ILE 6 17.887 -7.578 4.067 39 HB ILE 6 HB ILE 6 15.813 -9.714 3.574 40 HG12 ILE 6 HG12 ILE 6 17.939 -10.133 2.413 41 HG13 ILE 6 HG11 ILE 6 16.663 -9.714 1.277 42 HG21 ILE 6 HG21 ILE 6 14.711 -7.603 3.555 43 HG22 ILE 6 HG22 ILE 6 14.960 -8.077 1.873 44 HG23 ILE 6 HG23 ILE 6 16.009 -6.868 2.613 45 HD11 ILE 6 HD11 ILE 6 18.738 -8.641 0.665 46 HD12 ILE 6 HD12 ILE 6 18.843 -7.886 2.255 47 HD13 ILE 6 HD13 ILE 6 17.548 -7.431 1.148 48 H GLY 7 HN GLY 7 15.242 -9.552 5.416 49 HA2 GLY 7 HA2 GLY 7 13.652 -9.042 7.000 50 HA3 GLY 7 HA1 GLY 7 14.949 -8.207 7.844 51 H GLU 8 HN GLU 8 12.530 -7.850 5.313 52 HA GLU 8 HA GLU 8 11.314 -6.074 4.580 53 HB2 GLU 8 HB2 GLU 8 12.192 -4.997 7.258 54 HB3 GLU 8 HB1 GLU 8 11.165 -4.077 6.166 55 HG2 GLU 8 HG2 GLU 8 9.482 -5.833 6.254 56 HG3 GLU 8 HG1 GLU 8 10.520 -6.788 7.312 57 H GLN 9 HN GLN 9 11.575 -3.501 4.306 58 HA GLN 9 HA GLN 9 14.302 -2.681 3.922 59 HB2 GLN 9 HB2 GLN 9 13.870 -2.222 1.438 60 HB3 GLN 9 HB1 GLN 9 14.203 -3.883 1.910 61 HG2 GLN 9 HG2 GLN 9 11.776 -4.319 1.921 62 HG3 GLN 9 HG1 GLN 9 11.514 -2.689 1.308 63 HE21 GLN 9 HE21 GLN 9 12.096 -2.200 -0.804 64 HE22 GLN 9 HE22 GLN 9 12.424 -3.425 -1.977 65 H VAL 10 HN VAL 10 10.888 -2.050 3.261 66 HA VAL 10 HA VAL 10 9.619 -0.175 3.466 67 HB VAL 10 HB VAL 10 11.939 1.035 4.962 68 HG11 VAL 10 HG11 VAL 10 8.983 1.603 4.983 69 HG12 VAL 10 HG12 VAL 10 10.265 2.655 4.386 70 HG13 VAL 10 HG13 VAL 10 10.146 2.300 6.110 71 HG21 VAL 10 HG21 VAL 10 9.712 -0.718 6.021 72 HG22 VAL 10 HG22 VAL 10 10.880 0.166 7.006 73 HG23 VAL 10 HG23 VAL 10 11.428 -1.126 5.940 74 H PHE 11 HN PHE 11 9.180 1.628 2.275 75 HA PHE 11 HA PHE 11 11.322 3.135 1.022 76 HB2 PHE 11 HB2 PHE 11 9.522 1.273 -0.465 77 HB3 PHE 11 HB1 PHE 11 9.945 2.800 -1.224 78 HD1 PHE 11 HD2 PHE 11 12.783 3.029 -0.225 79 HD2 PHE 11 HD1 PHE 11 10.594 -0.234 -1.848 80 HE1 PHE 11 HE2 PHE 11 14.881 2.034 -1.037 81 HE2 PHE 11 HE1 PHE 11 12.687 -1.238 -2.665 82 HZ PHE 11 HZ PHE 11 14.835 -0.103 -2.261 83 H ALA 12 HN ALA 12 9.753 4.375 -0.936 84 HA ALA 12 HA ALA 12 7.855 5.890 0.727 85 HB1 ALA 12 HB1 ALA 12 8.275 7.613 -1.205 86 HB2 ALA 12 HB2 ALA 12 9.750 6.676 -1.435 87 HB3 ALA 12 HB3 ALA 12 9.428 7.449 0.117 88 H VAL 13 HN VAL 13 5.833 5.202 0.320 89 HA VAL 13 HA VAL 13 5.099 4.219 -2.314 90 HB VAL 13 HB VAL 13 3.119 4.602 -0.109 91 HG11 VAL 13 HG11 VAL 13 2.662 2.180 -1.201 92 HG12 VAL 13 HG12 VAL 13 3.363 3.034 -2.577 93 HG13 VAL 13 HG13 VAL 13 1.932 3.680 -1.771 94 HG21 VAL 13 HG21 VAL 13 3.710 2.295 0.674 95 HG22 VAL 13 HG22 VAL 13 4.853 3.571 1.104 96 HG23 VAL 13 HG23 VAL 13 5.222 2.467 -0.219 97 H GLU 14 HN GLU 14 4.188 5.432 -3.846 98 HA GLU 14 HA GLU 14 3.564 8.149 -3.537 99 HB2 GLU 14 HB2 GLU 14 3.976 7.074 -5.737 100 HB3 GLU 14 HB1 GLU 14 2.462 6.193 -5.577 101 HG2 GLU 14 HG2 GLU 14 2.172 8.077 -7.047 102 HG3 GLU 14 HG1 GLU 14 1.243 8.320 -5.568 103 H SER 15 HN SER 15 1.630 5.222 -3.522 104 HA SER 15 HA SER 15 -0.091 5.694 -1.505 105 HB2 SER 15 HB2 SER 15 -2.191 6.469 -2.766 106 HB3 SER 15 HB1 SER 15 -0.994 7.705 -2.386 107 HG SER 15 HG SER 15 -0.359 6.654 -4.733 108 H ILE 16 HN ILE 16 -1.634 4.066 -1.299 109 HA ILE 16 HA ILE 16 -1.226 1.717 -2.736 110 HB ILE 16 HB ILE 16 -3.550 2.586 -1.029 111 HG12 ILE 16 HG12 ILE 16 -1.421 0.491 -0.565 112 HG13 ILE 16 HG11 ILE 16 -1.320 2.135 0.018 113 HG21 ILE 16 HG21 ILE 16 -4.369 0.347 -1.087 114 HG22 ILE 16 HG22 ILE 16 -3.071 -0.165 -2.156 115 HG23 ILE 16 HG23 ILE 16 -4.303 0.960 -2.733 116 HD11 ILE 16 HD11 ILE 16 -2.976 1.831 1.588 117 HD12 ILE 16 HD12 ILE 16 -2.150 0.278 1.595 118 HD13 ILE 16 HD13 ILE 16 -3.671 0.467 0.725 119 H ARG 17 HN ARG 17 -2.289 0.715 -4.381 120 HA ARG 17 HA ARG 17 -3.936 2.439 -6.091 121 HB2 ARG 17 HB2 ARG 17 -1.828 0.483 -6.592 122 HB3 ARG 17 HB1 ARG 17 -3.246 0.225 -7.595 123 HG2 ARG 17 HG2 ARG 17 -3.083 2.644 -8.222 124 HG3 ARG 17 HG1 ARG 17 -1.513 2.667 -7.426 125 HD2 ARG 17 HD2 ARG 17 -0.792 0.814 -8.902 126 HD3 ARG 17 HD1 ARG 17 -2.341 0.916 -9.736 127 HE ARG 17 HE ARG 17 -0.461 3.183 -9.662 128 HH11 ARG 17 HH11 ARG 17 -2.539 0.993 -11.398 129 HH12 ARG 17 HH12 ARG 17 -2.348 1.809 -12.913 130 HH21 ARG 17 HH21 ARG 17 -0.207 4.267 -11.652 131 HH22 ARG 17 HH22 ARG 17 -1.023 3.670 -13.058 132 H LYS 18 HN LYS 18 -3.695 -0.873 -4.829 133 HA LYS 18 HA LYS 18 -6.594 -1.140 -5.249 134 HB2 LYS 18 HB2 LYS 18 -4.572 -3.281 -5.836 135 HB3 LYS 18 HB1 LYS 18 -6.309 -3.411 -6.022 136 HG2 LYS 18 HG2 LYS 18 -6.343 -1.966 -7.844 137 HG3 LYS 18 HG1 LYS 18 -4.735 -1.340 -7.486 138 HD2 LYS 18 HD2 LYS 18 -3.773 -3.511 -8.036 139 HD3 LYS 18 HD1 LYS 18 -5.380 -4.125 -8.400 140 HE2 LYS 18 HE2 LYS 18 -5.623 -2.650 -10.244 141 HE3 LYS 18 HE1 LYS 18 -4.171 -1.765 -9.790 142 HZ1 LYS 18 HZ1 LYS 18 -4.255 -4.583 -10.718 143 HZ2 LYS 18 HZ2 LYS 18 -2.859 -3.735 -10.287 144 HZ3 LYS 18 HZ3 LYS 18 -3.752 -3.258 -11.641 145 H LYS 19 HN LYS 19 -7.413 -3.202 -4.148 146 HA LYS 19 HA LYS 19 -5.968 -3.937 -1.739 147 HB2 LYS 19 HB2 LYS 19 -7.185 -2.112 -0.831 148 HB3 LYS 19 HB1 LYS 19 -8.648 -2.563 -1.688 149 HG2 LYS 19 HG2 LYS 19 -8.779 -4.605 -0.313 150 HG3 LYS 19 HG1 LYS 19 -7.358 -4.065 0.577 151 HD2 LYS 19 HD2 LYS 19 -8.633 -2.002 1.176 152 HD3 LYS 19 HD1 LYS 19 -10.060 -2.742 0.449 153 HE2 LYS 19 HE2 LYS 19 -9.693 -4.688 1.993 154 HE3 LYS 19 HE1 LYS 19 -8.476 -3.725 2.812 155 HZ1 LYS 19 HZ1 LYS 19 -10.162 -2.066 3.306 156 HZ2 LYS 19 HZ2 LYS 19 -10.608 -3.573 3.931 157 HZ3 LYS 19 HZ3 LYS 19 -11.340 -2.993 2.520 158 H ARG 20 HN ARG 20 -5.997 -6.087 -1.801 159 HA ARG 20 HA ARG 20 -8.517 -7.408 -2.541 160 HB2 ARG 20 HB2 ARG 20 -7.419 -9.032 -3.776 161 HB3 ARG 20 HB1 ARG 20 -6.485 -7.597 -4.158 162 HG2 ARG 20 HG2 ARG 20 -4.727 -8.249 -2.704 163 HG3 ARG 20 HG1 ARG 20 -5.695 -9.557 -2.020 164 HD2 ARG 20 HD2 ARG 20 -5.757 -10.598 -4.282 165 HD3 ARG 20 HD1 ARG 20 -4.638 -9.354 -4.832 166 HE ARG 20 HE ARG 20 -3.533 -10.574 -2.583 167 HH11 ARG 20 HH11 ARG 20 -4.375 -11.382 -5.865 168 HH12 ARG 20 HH12 ARG 20 -3.145 -12.590 -6.020 169 HH21 ARG 20 HH21 ARG 20 -1.910 -12.164 -2.778 170 HH22 ARG 20 HH22 ARG 20 -1.744 -13.035 -4.265 171 H VAL 21 HN VAL 21 -9.265 -8.950 -1.181 172 HA VAL 21 HA VAL 21 -7.607 -9.530 1.180 173 HB VAL 21 HB VAL 21 -10.598 -9.137 1.043 174 HG11 VAL 21 HG11 VAL 21 -8.965 -9.857 3.470 175 HG12 VAL 21 HG12 VAL 21 -9.904 -11.031 2.542 176 HG13 VAL 21 HG13 VAL 21 -10.719 -9.699 3.360 177 HG21 VAL 21 HG21 VAL 21 -8.670 -7.717 2.836 178 HG22 VAL 21 HG22 VAL 21 -10.270 -7.204 2.287 179 HG23 VAL 21 HG23 VAL 21 -8.904 -7.180 1.170 180 H ARG 22 HN ARG 22 -7.775 -11.612 2.107 181 HA ARG 22 HA ARG 22 -9.091 -13.665 0.469 182 HB2 ARG 22 HB2 ARG 22 -6.652 -13.550 -0.057 183 HB3 ARG 22 HB1 ARG 22 -6.305 -13.896 1.629 184 HG2 ARG 22 HG2 ARG 22 -7.633 -16.017 1.338 185 HG3 ARG 22 HG1 ARG 22 -7.603 -15.676 -0.393 186 HD2 ARG 22 HD2 ARG 22 -5.083 -15.487 -0.151 187 HD3 ARG 22 HD1 ARG 22 -5.289 -16.204 1.443 188 HE ARG 22 HE ARG 22 -6.590 -17.840 -0.405 189 HH11 ARG 22 HH11 ARG 22 -3.355 -16.818 0.388 190 HH12 ARG 22 HH12 ARG 22 -2.616 -18.275 -0.188 191 HH21 ARG 22 HH21 ARG 22 -5.624 -19.762 -1.164 192 HH22 ARG 22 HH22 ARG 22 -3.905 -19.947 -1.071 193 H LYS 23 HN LYS 23 -10.709 -14.115 1.922 194 HA LYS 23 HA LYS 23 -11.719 -14.946 3.783 195 HB2 LYS 23 HB2 LYS 23 -8.967 -16.086 4.184 196 HB3 LYS 23 HB1 LYS 23 -10.318 -16.456 5.248 197 HG2 LYS 23 HG2 LYS 23 -11.451 -17.638 3.608 198 HG3 LYS 23 HG1 LYS 23 -10.549 -16.876 2.303 199 HD2 LYS 23 HD2 LYS 23 -9.783 -19.134 2.521 200 HD3 LYS 23 HD1 LYS 23 -8.515 -18.054 3.104 201 HE2 LYS 23 HE2 LYS 23 -9.413 -18.426 5.416 202 HE3 LYS 23 HE1 LYS 23 -10.439 -19.689 4.740 203 HZ1 LYS 23 HZ1 LYS 23 -8.416 -20.619 5.655 204 HZ2 LYS 23 HZ2 LYS 23 -7.471 -19.635 4.656 205 HZ3 LYS 23 HZ3 LYS 23 -8.445 -20.837 3.977 206 H GLY 24 HN GLY 24 -9.634 -12.534 3.777 207 HA2 GLY 24 HA2 GLY 24 -10.317 -10.879 5.595 208 HA3 GLY 24 HA1 GLY 24 -9.643 -12.087 6.677 209 H LYS 25 HN LYS 25 -7.594 -12.712 4.543 210 HA LYS 25 HA LYS 25 -5.554 -11.015 5.484 211 HB2 LYS 25 HB2 LYS 25 -5.578 -12.794 3.050 212 HB3 LYS 25 HB1 LYS 25 -4.147 -12.110 3.800 213 HG2 LYS 25 HG2 LYS 25 -4.452 -13.428 5.757 214 HG3 LYS 25 HG1 LYS 25 -6.042 -13.963 5.216 215 HD2 LYS 25 HD2 LYS 25 -4.495 -15.740 4.808 216 HD3 LYS 25 HD1 LYS 25 -4.941 -15.027 3.257 217 HE2 LYS 25 HE2 LYS 25 -2.497 -14.089 4.705 218 HE3 LYS 25 HE1 LYS 25 -2.448 -15.568 3.746 219 HZ1 LYS 25 HZ1 LYS 25 -1.748 -13.737 2.401 220 HZ2 LYS 25 HZ2 LYS 25 -3.134 -12.846 2.777 221 HZ3 LYS 25 HZ3 LYS 25 -3.261 -14.248 1.841 222 H VAL 26 HN VAL 26 -5.691 -8.884 5.056 223 HA VAL 26 HA VAL 26 -6.622 -7.940 2.493 224 HB VAL 26 HB VAL 26 -5.463 -6.348 4.771 225 HG11 VAL 26 HG11 VAL 26 -7.230 -5.508 2.479 226 HG12 VAL 26 HG12 VAL 26 -5.493 -5.206 2.587 227 HG13 VAL 26 HG13 VAL 26 -6.593 -4.461 3.748 228 HG21 VAL 26 HG21 VAL 26 -8.367 -6.535 4.215 229 HG22 VAL 26 HG22 VAL 26 -7.541 -6.149 5.722 230 HG23 VAL 26 HG23 VAL 26 -7.591 -7.815 5.142 231 H GLU 27 HN GLU 27 -5.449 -6.930 0.944 232 HA GLU 27 HA GLU 27 -2.568 -6.623 1.291 233 HB2 GLU 27 HB2 GLU 27 -3.911 -8.107 -0.976 234 HB3 GLU 27 HB1 GLU 27 -2.228 -7.607 -0.983 235 HG2 GLU 27 HG2 GLU 27 -1.775 -9.011 0.943 236 HG3 GLU 27 HG1 GLU 27 -3.472 -9.473 1.013 237 H TYR 28 HN TYR 28 -1.710 -4.895 0.072 238 HA TYR 28 HA TYR 28 -3.727 -3.333 -1.411 239 HB2 TYR 28 HB2 TYR 28 -1.672 -2.377 0.564 240 HB3 TYR 28 HB1 TYR 28 -2.482 -1.295 -0.551 241 HD1 TYR 28 HD1 TYR 28 -5.116 -1.462 -0.519 242 HD2 TYR 28 HD2 TYR 28 -2.592 -2.675 2.680 243 HE1 TYR 28 HE1 TYR 28 -6.993 -1.239 1.042 244 HE2 TYR 28 HE2 TYR 28 -4.464 -2.435 4.244 245 HH TYR 28 HH TYR 28 -7.686 -2.061 3.227 246 H LEU 29 HN LEU 29 -3.200 -3.168 -3.498 247 HA LEU 29 HA LEU 29 -0.577 -3.640 -4.492 248 HB2 LEU 29 HB2 LEU 29 -2.794 -3.903 -5.772 249 HB3 LEU 29 HB1 LEU 29 -2.776 -2.163 -5.950 250 HG LEU 29 HG LEU 29 -1.901 -3.659 -7.888 251 HD11 LEU 29 HD11 LEU 29 -1.822 -1.209 -7.744 252 HD12 LEU 29 HD12 LEU 29 -0.458 -1.907 -8.612 253 HD13 LEU 29 HD13 LEU 29 -0.254 -1.331 -6.956 254 HD21 LEU 29 HD21 LEU 29 0.530 -3.528 -6.132 255 HD22 LEU 29 HD22 LEU 29 0.490 -4.094 -7.801 256 HD23 LEU 29 HD23 LEU 29 -0.359 -4.993 -6.542 257 H VAL 30 HN VAL 30 0.699 -2.201 -3.262 258 HA VAL 30 HA VAL 30 0.226 0.592 -3.167 259 HB VAL 30 HB VAL 30 2.645 0.671 -2.394 260 HG11 VAL 30 HG11 VAL 30 2.094 -0.282 -0.215 261 HG12 VAL 30 HG12 VAL 30 0.721 -1.133 -0.926 262 HG13 VAL 30 HG13 VAL 30 0.733 0.630 -0.866 263 HG21 VAL 30 HG21 VAL 30 3.669 -1.448 -1.783 264 HG22 VAL 30 HG22 VAL 30 3.386 -1.370 -3.521 265 HG23 VAL 30 HG23 VAL 30 2.315 -2.323 -2.494 266 H LYS 31 HN LYS 31 0.821 2.208 -4.438 267 HA LYS 31 HA LYS 31 2.370 1.605 -6.846 268 HB2 LYS 31 HB2 LYS 31 0.253 2.745 -7.216 269 HB3 LYS 31 HB1 LYS 31 0.692 4.004 -6.071 270 HG2 LYS 31 HG2 LYS 31 2.527 4.689 -7.558 271 HG3 LYS 31 HG1 LYS 31 2.023 3.457 -8.717 272 HD2 LYS 31 HD2 LYS 31 -0.133 4.547 -8.971 273 HD3 LYS 31 HD1 LYS 31 0.305 5.743 -7.750 274 HE2 LYS 31 HE2 LYS 31 2.085 6.578 -9.163 275 HE3 LYS 31 HE1 LYS 31 1.755 5.327 -10.362 276 HZ1 LYS 31 HZ1 LYS 31 0.791 7.485 -10.952 277 HZ2 LYS 31 HZ2 LYS 31 -0.159 7.449 -9.553 278 HZ3 LYS 31 HZ3 LYS 31 -0.397 6.294 -10.766 279 H TRP 32 HN TRP 32 4.486 1.730 -6.425 280 HA TRP 32 HA TRP 32 5.652 3.359 -4.432 281 HB2 TRP 32 HB2 TRP 32 6.924 2.003 -6.823 282 HB3 TRP 32 HB1 TRP 32 7.792 2.649 -5.434 283 HD1 TRP 32 HD1 TRP 32 6.415 -0.501 -6.672 284 HE1 TRP 32 HE1 TRP 32 6.198 -2.230 -4.776 285 HE3 TRP 32 HE3 TRP 32 7.048 2.607 -2.680 286 HZ2 TRP 32 HZ2 TRP 32 6.282 -2.262 -1.952 287 HZ3 TRP 32 HZ3 TRP 32 6.963 1.657 -0.414 288 HH2 TRP 32 HH2 TRP 32 6.583 -0.724 -0.060 289 H LYS 33 HN LYS 33 6.228 5.417 -4.459 290 HA LYS 33 HA LYS 33 5.607 7.171 -6.550 291 HB2 LYS 33 HB2 LYS 33 5.770 7.858 -4.205 292 HB3 LYS 33 HB1 LYS 33 7.506 7.584 -4.241 293 HG2 LYS 33 HG2 LYS 33 7.926 9.499 -5.372 294 HG3 LYS 33 HG1 LYS 33 6.414 9.425 -6.273 295 HD2 LYS 33 HD2 LYS 33 6.333 11.298 -4.767 296 HD3 LYS 33 HD1 LYS 33 5.205 10.056 -4.216 297 HE2 LYS 33 HE2 LYS 33 6.901 9.275 -2.610 298 HE3 LYS 33 HE1 LYS 33 7.966 10.581 -3.122 299 HZ1 LYS 33 HZ1 LYS 33 5.285 10.936 -1.890 300 HZ2 LYS 33 HZ2 LYS 33 6.332 12.180 -2.357 301 HZ3 LYS 33 HZ3 LYS 33 6.766 11.140 -1.096 302 H GLY 34 HN GLY 34 8.852 6.234 -5.380 303 HA2 GLY 34 HA2 GLY 34 10.159 7.462 -7.607 304 HA3 GLY 34 HA1 GLY 34 10.911 6.440 -6.396 305 H TRP 35 HN TRP 35 8.209 5.013 -7.940 306 HA TRP 35 HA TRP 35 9.895 3.747 -9.977 307 HB2 TRP 35 HB2 TRP 35 8.332 2.269 -7.862 308 HB3 TRP 35 HB1 TRP 35 8.918 1.508 -9.332 309 HD1 TRP 35 HD1 TRP 35 10.290 3.233 -6.154 310 HE1 TRP 35 HE1 TRP 35 12.644 2.298 -5.692 311 HE3 TRP 35 HE3 TRP 35 10.838 0.314 -10.317 312 HZ2 TRP 35 HZ2 TRP 35 14.487 0.553 -6.928 313 HZ3 TRP 35 HZ3 TRP 35 12.925 -0.957 -10.600 314 HH2 TRP 35 HH2 TRP 35 14.711 -0.839 -8.940 315 HA PRO 36 HA PRO 36 6.333 4.070 -12.550 316 HB2 PRO 36 HB2 PRO 36 6.874 1.440 -13.719 317 HB3 PRO 36 HB1 PRO 36 6.961 3.028 -14.472 318 HG2 PRO 36 HG2 PRO 36 9.149 1.544 -13.903 319 HG3 PRO 36 HG1 PRO 36 9.152 3.308 -13.913 320 HD2 PRO 36 HD2 PRO 36 9.081 1.422 -11.612 321 HD3 PRO 36 HD1 PRO 36 9.901 2.982 -11.767 322 HA PRO 37 HA PRO 37 3.014 1.729 -10.763 323 HB2 PRO 37 HB2 PRO 37 1.315 1.463 -12.899 324 HB3 PRO 37 HB1 PRO 37 1.471 2.943 -11.948 325 HG2 PRO 37 HG2 PRO 37 2.705 2.242 -14.581 326 HG3 PRO 37 HG1 PRO 37 1.986 3.775 -14.052 327 HD2 PRO 37 HD2 PRO 37 4.652 3.405 -14.121 328 HD3 PRO 37 HD1 PRO 37 3.877 4.400 -12.871 329 H LYS 38 HN LYS 38 4.781 0.659 -13.480 330 HA LYS 38 HA LYS 38 3.630 -1.928 -13.790 331 HB2 LYS 38 HB2 LYS 38 6.344 -0.871 -14.605 332 HB3 LYS 38 HB1 LYS 38 5.625 -2.377 -15.169 333 HG2 LYS 38 HG2 LYS 38 3.910 -1.211 -16.338 334 HG3 LYS 38 HG1 LYS 38 4.373 0.322 -15.604 335 HD2 LYS 38 HD2 LYS 38 6.072 -1.308 -17.485 336 HD3 LYS 38 HD1 LYS 38 5.159 0.138 -17.920 337 HE2 LYS 38 HE2 LYS 38 6.493 1.348 -16.139 338 HE3 LYS 38 HE1 LYS 38 7.516 -0.084 -16.063 339 HZ1 LYS 38 HZ1 LYS 38 7.984 0.195 -18.435 340 HZ2 LYS 38 HZ2 LYS 38 8.470 1.545 -17.540 341 HZ3 LYS 38 HZ3 LYS 38 7.052 1.607 -18.459 342 H TYR 39 HN TYR 39 5.840 -0.548 -11.577 343 HA TYR 39 HA TYR 39 6.847 -3.178 -10.781 344 HB2 TYR 39 HB2 TYR 39 7.791 -0.375 -10.281 345 HB3 TYR 39 HB1 TYR 39 8.340 -1.701 -9.270 346 HD1 TYR 39 HD2 TYR 39 9.749 -3.480 -10.198 347 HD2 TYR 39 HD1 TYR 39 8.526 -0.158 -12.542 348 HE1 TYR 39 HE2 TYR 39 11.478 -4.029 -11.860 349 HE2 TYR 39 HE1 TYR 39 10.242 -0.688 -14.209 350 HH TYR 39 HH TYR 39 12.385 -1.891 -14.338 351 H SER 40 HN SER 40 4.166 -1.635 -10.132 352 HA SER 40 HA SER 40 4.033 -1.172 -7.401 353 HB2 SER 40 HB2 SER 40 1.895 -2.381 -9.160 354 HB3 SER 40 HB1 SER 40 1.634 -1.709 -7.555 355 HG SER 40 HG SER 40 1.236 -0.295 -9.454 356 H THR 41 HN THR 41 3.169 -2.526 -5.664 357 HA THR 41 HA THR 41 3.488 -5.397 -6.124 358 HB THR 41 HB THR 41 4.896 -5.714 -4.178 359 HG1 THR 41 HG1 THR 41 4.587 -4.146 -2.748 360 HG21 THR 41 HG21 THR 41 5.896 -5.105 -6.447 361 HG22 THR 41 HG22 THR 41 6.939 -4.898 -5.040 362 HG23 THR 41 HG23 THR 41 6.161 -3.496 -5.773 363 H TRP 42 HN TRP 42 2.707 -6.730 -4.339 364 HA TRP 42 HA TRP 42 0.376 -5.485 -3.058 365 HB2 TRP 42 HB2 TRP 42 1.025 -8.323 -3.827 366 HB3 TRP 42 HB1 TRP 42 -0.273 -7.948 -2.702 367 HD1 TRP 42 HD1 TRP 42 0.507 -8.138 -6.355 368 HE1 TRP 42 HE1 TRP 42 -1.575 -7.480 -7.718 369 HE3 TRP 42 HE3 TRP 42 -2.353 -6.195 -2.586 370 HZ2 TRP 42 HZ2 TRP 42 -4.098 -6.297 -7.250 371 HZ3 TRP 42 HZ3 TRP 42 -4.589 -5.327 -3.132 372 HH2 TRP 42 HH2 TRP 42 -5.436 -5.375 -5.426 373 H GLU 43 HN GLU 43 0.735 -4.882 -1.012 374 HA GLU 43 HA GLU 43 2.283 -6.711 0.693 375 HB2 GLU 43 HB2 GLU 43 2.571 -4.418 2.038 376 HB3 GLU 43 HB1 GLU 43 3.713 -4.960 0.816 377 HG2 GLU 43 HG2 GLU 43 2.495 -3.579 -0.847 378 HG3 GLU 43 HG1 GLU 43 1.490 -2.964 0.466 379 HA PRO 44 HA PRO 44 -1.529 -7.283 2.910 380 HB2 PRO 44 HB2 PRO 44 -0.203 -7.818 5.343 381 HB3 PRO 44 HB1 PRO 44 -0.782 -8.999 4.167 382 HG2 PRO 44 HG2 PRO 44 1.943 -7.885 4.549 383 HG3 PRO 44 HG1 PRO 44 1.453 -9.495 3.996 384 HD2 PRO 44 HD2 PRO 44 2.420 -7.668 2.298 385 HD3 PRO 44 HD1 PRO 44 1.112 -8.772 1.818 386 H GLU 45 HN GLU 45 -2.798 -6.163 4.257 387 HA GLU 45 HA GLU 45 -2.376 -3.466 4.728 388 HB2 GLU 45 HB2 GLU 45 -4.576 -4.457 4.658 389 HB3 GLU 45 HB1 GLU 45 -4.239 -5.432 6.076 390 HG2 GLU 45 HG2 GLU 45 -4.142 -2.455 6.228 391 HG3 GLU 45 HG1 GLU 45 -5.681 -3.297 6.277 392 H GLU 46 HN GLU 46 -1.428 -6.213 6.635 393 HA GLU 46 HA GLU 46 -1.040 -4.756 9.072 394 HB2 GLU 46 HB2 GLU 46 -0.308 -7.516 8.165 395 HB3 GLU 46 HB1 GLU 46 0.200 -6.884 9.726 396 HG2 GLU 46 HG2 GLU 46 -2.653 -7.063 8.795 397 HG3 GLU 46 HG1 GLU 46 -1.849 -8.231 9.831 398 H HIS 47 HN HIS 47 0.855 -5.301 6.238 399 HA HIS 47 HA HIS 47 3.331 -4.638 7.632 400 HB2 HIS 47 HB2 HIS 47 2.772 -5.566 4.824 401 HB3 HIS 47 HB1 HIS 47 4.359 -5.011 5.342 402 HD1 HIS 47 HD1 HIS 47 1.794 -7.615 6.400 403 HD2 HIS 47 HD2 HIS 47 5.897 -6.972 6.401 404 HE1 HIS 47 HE1 HIS 47 2.805 -9.734 7.301 405 HE2 HIS 47 HE2 HIS 47 5.284 -9.285 7.380 406 H ILE 48 HN ILE 48 0.940 -3.110 5.636 407 HA ILE 48 HA ILE 48 2.441 -0.965 4.576 408 HB ILE 48 HB ILE 48 -0.378 -0.712 5.678 409 HG12 ILE 48 HG12 ILE 48 -0.073 -2.710 4.136 410 HG13 ILE 48 HG11 ILE 48 -1.283 -1.534 3.650 411 HG21 ILE 48 HG21 ILE 48 -0.591 0.918 3.774 412 HG22 ILE 48 HG22 ILE 48 1.158 0.774 3.565 413 HG23 ILE 48 HG23 ILE 48 0.499 1.402 5.076 414 HD11 ILE 48 HD11 ILE 48 -0.145 -0.921 1.806 415 HD12 ILE 48 HD12 ILE 48 0.502 -2.554 1.972 416 HD13 ILE 48 HD13 ILE 48 1.432 -1.174 2.556 417 H LEU 49 HN LEU 49 3.929 -0.219 5.938 418 HA LEU 49 HA LEU 49 3.724 0.143 8.694 419 HB2 LEU 49 HB2 LEU 49 5.509 1.719 6.877 420 HB3 LEU 49 HB1 LEU 49 5.792 1.318 8.550 421 HG LEU 49 HG LEU 49 5.600 -0.821 6.457 422 HD11 LEU 49 HD11 LEU 49 7.219 0.724 5.639 423 HD12 LEU 49 HD12 LEU 49 8.035 -0.706 6.262 424 HD13 LEU 49 HD13 LEU 49 8.022 0.786 7.205 425 HD21 LEU 49 HD21 LEU 49 5.524 -1.507 8.751 426 HD22 LEU 49 HD22 LEU 49 6.988 -0.612 9.117 427 HD23 LEU 49 HD23 LEU 49 7.046 -2.007 8.036 428 H ASP 50 HN ASP 50 1.957 1.792 6.476 429 HA ASP 50 HA ASP 50 1.617 4.013 8.338 430 HB2 ASP 50 HB2 ASP 50 3.098 4.379 6.080 431 HB3 ASP 50 HB1 ASP 50 1.490 4.834 5.516 432 HA PRO 51 HA PRO 51 -2.590 2.601 7.383 433 HB2 PRO 51 HB2 PRO 51 -3.246 4.511 9.513 434 HB3 PRO 51 HB1 PRO 51 -3.611 2.790 9.411 435 HG2 PRO 51 HG2 PRO 51 -1.792 3.718 11.137 436 HG3 PRO 51 HG1 PRO 51 -1.554 2.177 10.294 437 HD2 PRO 51 HD2 PRO 51 -0.363 4.856 9.695 438 HD3 PRO 51 HD1 PRO 51 0.402 3.255 9.710 439 H ARG 52 HN ARG 52 -1.102 5.688 7.307 440 HA ARG 52 HA ARG 52 -3.337 7.249 6.542 441 HB2 ARG 52 HB2 ARG 52 -0.421 7.647 5.850 442 HB3 ARG 52 HB1 ARG 52 -1.685 8.849 5.669 443 HG2 ARG 52 HG2 ARG 52 -1.789 7.944 8.325 444 HG3 ARG 52 HG1 ARG 52 -0.097 8.251 7.946 445 HD2 ARG 52 HD2 ARG 52 -0.558 10.482 7.311 446 HD3 ARG 52 HD1 ARG 52 -2.291 10.178 7.307 447 HE ARG 52 HE ARG 52 -1.302 9.697 9.884 448 HH11 ARG 52 HH11 ARG 52 -1.835 12.351 7.687 449 HH12 ARG 52 HH12 ARG 52 -2.052 13.518 8.948 450 HH21 ARG 52 HH21 ARG 52 -1.586 11.228 11.548 451 HH22 ARG 52 HH22 ARG 52 -1.906 12.880 11.143 452 H LEU 53 HN LEU 53 -1.082 5.183 4.893 453 HA LEU 53 HA LEU 53 -1.792 5.808 2.224 454 HB2 LEU 53 HB2 LEU 53 -0.458 3.488 3.585 455 HB3 LEU 53 HB1 LEU 53 -0.872 3.386 1.891 456 HG LEU 53 HG LEU 53 0.840 5.607 2.976 457 HD11 LEU 53 HD11 LEU 53 1.640 2.872 2.011 458 HD12 LEU 53 HD12 LEU 53 2.011 3.626 3.563 459 HD13 LEU 53 HD13 LEU 53 2.748 4.242 2.084 460 HD21 LEU 53 HD21 LEU 53 0.415 4.438 0.233 461 HD22 LEU 53 HD22 LEU 53 1.592 5.693 0.627 462 HD23 LEU 53 HD23 LEU 53 -0.133 6.015 0.803 463 H VAL 54 HN VAL 54 -2.915 3.513 4.612 464 HA VAL 54 HA VAL 54 -4.715 2.090 2.937 465 HB VAL 54 HB VAL 54 -4.437 2.324 5.931 466 HG11 VAL 54 HG11 VAL 54 -6.670 1.328 4.408 467 HG12 VAL 54 HG12 VAL 54 -6.513 1.550 6.147 468 HG13 VAL 54 HG13 VAL 54 -5.951 0.059 5.390 469 HG21 VAL 54 HG21 VAL 54 -3.683 0.315 3.855 470 HG22 VAL 54 HG22 VAL 54 -3.830 -0.140 5.551 471 HG23 VAL 54 HG23 VAL 54 -2.660 1.088 5.064 472 H MET 55 HN MET 55 -5.184 4.559 5.426 473 HA MET 55 HA MET 55 -7.935 4.838 5.241 474 HB2 MET 55 HB2 MET 55 -6.346 5.865 6.946 475 HB3 MET 55 HB1 MET 55 -6.055 7.123 5.766 476 HG2 MET 55 HG2 MET 55 -7.749 8.193 6.716 477 HG3 MET 55 HG1 MET 55 -8.779 7.039 5.883 478 HE1 MET 55 HE1 MET 55 -7.842 4.456 7.314 479 HE2 MET 55 HE2 MET 55 -9.601 4.603 7.238 480 HE3 MET 55 HE3 MET 55 -8.812 4.233 8.771 481 H ALA 56 HN ALA 56 -5.432 6.826 3.690 482 HA ALA 56 HA ALA 56 -7.053 8.436 2.139 483 HB1 ALA 56 HB1 ALA 56 -4.336 7.350 1.434 484 HB2 ALA 56 HB2 ALA 56 -4.658 8.803 2.378 485 HB3 ALA 56 HB3 ALA 56 -5.112 8.737 0.674 486 H TYR 57 HN TYR 57 -5.866 5.167 1.489 487 HA TYR 57 HA TYR 57 -6.674 4.900 -1.161 488 HB2 TYR 57 HB2 TYR 57 -5.340 3.182 -0.082 489 HB3 TYR 57 HB1 TYR 57 -6.646 2.829 1.044 490 HD1 TYR 57 HD1 TYR 57 -5.800 2.794 -2.567 491 HD2 TYR 57 HD2 TYR 57 -8.231 1.196 0.526 492 HE1 TYR 57 HE1 TYR 57 -6.690 1.128 -4.137 493 HE2 TYR 57 HE2 TYR 57 -9.135 -0.474 -1.033 494 HH TYR 57 HH TYR 57 -7.759 -1.078 -4.078 495 H GLU 58 HN GLU 58 -8.445 4.044 1.789 496 HA GLU 58 HA GLU 58 -10.887 3.445 0.518 497 HB2 GLU 58 HB2 GLU 58 -10.589 4.409 3.319 498 HB3 GLU 58 HB1 GLU 58 -11.830 3.353 2.684 499 HG2 GLU 58 HG2 GLU 58 -8.951 2.531 2.675 500 HG3 GLU 58 HG1 GLU 58 -9.950 2.345 4.117 501 H GLU 59 HN GLU 59 -9.303 6.345 1.032 502 HA GLU 59 HA GLU 59 -11.647 8.006 1.333 503 HB2 GLU 59 HB2 GLU 59 -10.126 9.358 2.249 504 HB3 GLU 59 HB1 GLU 59 -8.825 8.293 1.729 505 HG2 GLU 59 HG2 GLU 59 -8.694 9.436 -0.390 506 HG3 GLU 59 HG1 GLU 59 -10.056 10.467 0.051 507 H LYS 60 HN LYS 60 -9.330 7.170 -1.209 508 HA LYS 60 HA LYS 60 -10.363 8.981 -3.137 509 HB2 LYS 60 HB2 LYS 60 -8.873 6.398 -3.610 510 HB3 LYS 60 HB1 LYS 60 -9.020 7.744 -4.726 511 HG2 LYS 60 HG2 LYS 60 -7.277 8.761 -3.841 512 HG3 LYS 60 HG1 LYS 60 -7.944 8.620 -2.214 513 HD2 LYS 60 HD2 LYS 60 -6.893 6.613 -1.817 514 HD3 LYS 60 HD1 LYS 60 -6.742 6.233 -3.526 515 HE2 LYS 60 HE2 LYS 60 -5.238 8.447 -2.148 516 HE3 LYS 60 HE1 LYS 60 -4.588 6.827 -2.396 517 HZ1 LYS 60 HZ1 LYS 60 -5.439 8.708 -4.533 518 HZ2 LYS 60 HZ2 LYS 60 -4.840 7.147 -4.786 519 HZ3 LYS 60 HZ3 LYS 60 -3.841 8.337 -4.117 520 H GLU 61 HN GLU 61 -10.967 5.594 -2.372 521 HA GLU 61 HA GLU 61 -12.705 5.120 -4.558 522 HB2 GLU 61 HB2 GLU 61 -13.264 3.044 -3.496 523 HB3 GLU 61 HB1 GLU 61 -11.542 3.334 -3.305 524 HG2 GLU 61 HG2 GLU 61 -12.027 4.236 -1.050 525 HG3 GLU 61 HG1 GLU 61 -13.686 3.680 -1.244 526 H GLU 62 HN GLU 62 -13.303 5.916 -1.167 527 HA GLU 62 HA GLU 62 -16.110 5.822 -1.302 528 HB2 GLU 62 HB2 GLU 62 -16.136 6.951 0.789 529 HB3 GLU 62 HB1 GLU 62 -14.715 5.918 0.791 530 HG2 GLU 62 HG2 GLU 62 -13.283 7.789 0.356 531 HG3 GLU 62 HG1 GLU 62 -14.675 8.853 0.158 532 H ARG 63 HN ARG 63 -13.818 8.285 -2.192 533 HA ARG 63 HA ARG 63 -15.624 10.454 -2.394 534 HB2 ARG 63 HB2 ARG 63 -12.865 9.874 -3.285 535 HB3 ARG 63 HB1 ARG 63 -13.726 11.138 -4.147 536 HG2 ARG 63 HG2 ARG 63 -13.417 11.062 -1.157 537 HG3 ARG 63 HG1 ARG 63 -12.341 11.934 -2.243 538 HD2 ARG 63 HD2 ARG 63 -15.312 12.384 -2.016 539 HD3 ARG 63 HD1 ARG 63 -14.074 13.383 -1.255 540 HE ARG 63 HE ARG 63 -13.462 13.335 -3.941 541 HH11 ARG 63 HH11 ARG 63 -16.160 14.342 -1.978 542 HH12 ARG 63 HH12 ARG 63 -16.648 15.599 -3.065 543 HH21 ARG 63 HH21 ARG 63 -14.096 14.989 -5.376 544 HH22 ARG 63 HH22 ARG 63 -15.475 15.966 -4.996 545 H ASP 64 HN ASP 64 -14.266 8.279 -4.852 546 HA ASP 64 HA ASP 64 -15.874 9.357 -6.959 547 HB2 ASP 64 HB2 ASP 64 -13.638 8.276 -7.289 548 HB3 ASP 64 HB1 ASP 64 -14.387 6.738 -6.911 549 H ARG 65 HN ARG 65 -15.763 6.113 -5.532 550 HA ARG 65 HA ARG 65 -18.064 5.088 -6.621 551 HB2 ARG 65 HB2 ARG 65 -17.025 4.524 -3.846 552 HB3 ARG 65 HB1 ARG 65 -18.091 3.488 -4.786 553 HG2 ARG 65 HG2 ARG 65 -16.220 3.435 -6.523 554 HG3 ARG 65 HG1 ARG 65 -15.197 4.103 -5.249 555 HD2 ARG 65 HD2 ARG 65 -14.970 1.709 -5.279 556 HD3 ARG 65 HD1 ARG 65 -15.801 2.215 -3.810 557 HE ARG 65 HE ARG 65 -17.898 1.617 -5.192 558 HH11 ARG 65 HH11 ARG 65 -14.836 -0.040 -5.307 559 HH12 ARG 65 HH12 ARG 65 -15.528 -1.557 -5.773 560 HH21 ARG 65 HH21 ARG 65 -18.819 -0.379 -5.806 561 HH22 ARG 65 HH22 ARG 65 -17.790 -1.750 -6.056 562 H ALA 66 HN ALA 66 -17.822 6.522 -3.352 563 HA ALA 66 HA ALA 66 -19.417 7.391 -1.968 564 HB1 ALA 66 HB1 ALA 66 -19.140 8.976 -3.994 565 HB2 ALA 66 HB2 ALA 66 -20.409 9.269 -2.809 566 HB3 ALA 66 HB3 ALA 66 -20.798 8.505 -4.354 567 H SER 67 HN SER 67 -19.943 4.750 -3.005 568 HA SER 67 HA SER 67 -22.808 4.609 -3.441 569 HB2 SER 67 HB2 SER 67 -21.314 3.054 -4.638 570 HB3 SER 67 HB1 SER 67 -20.769 2.392 -3.097 571 HG SER 67 HG SER 67 -22.688 1.435 -2.807 572 H GLY 68 HN GLY 68 -20.462 3.859 -0.926 573 HA2 GLY 68 HA2 GLY 68 -20.729 3.671 1.343 574 HA3 GLY 68 HA1 GLY 68 -22.385 4.221 1.143 575 H TYR 69 HN TYR 69 -20.845 1.895 2.559 576 HA TYR 69 HA TYR 69 -22.096 -0.453 1.489 577 HB2 TYR 69 HB2 TYR 69 -21.188 -1.548 3.555 578 HB3 TYR 69 HB1 TYR 69 -19.976 -0.740 2.567 579 HD1 TYR 69 HD1 TYR 69 -18.962 1.368 3.330 580 HD2 TYR 69 HD2 TYR 69 -21.692 -0.787 5.778 581 HE1 TYR 69 HE1 TYR 69 -18.210 2.651 5.283 582 HE2 TYR 69 HE2 TYR 69 -20.949 0.494 7.743 583 HH TYR 69 HH TYR 69 -19.031 3.295 7.495 584 H ARG 70 HN ARG 70 -22.740 1.808 4.079 585 HA ARG 70 HA ARG 70 -25.039 0.247 4.980 586 HB2 ARG 70 HB2 ARG 70 -23.215 1.935 6.280 587 HB3 ARG 70 HB1 ARG 70 -24.731 2.815 6.278 588 HG2 ARG 70 HG2 ARG 70 -24.233 0.075 7.404 589 HG3 ARG 70 HG1 ARG 70 -24.571 1.561 8.291 590 HD2 ARG 70 HD2 ARG 70 -26.669 0.743 8.300 591 HD3 ARG 70 HD1 ARG 70 -26.730 1.490 6.709 592 HE ARG 70 HE ARG 70 -25.782 -1.056 6.293 593 HH11 ARG 70 HH11 ARG 70 -28.654 0.370 7.655 594 HH12 ARG 70 HH12 ARG 70 -29.678 -0.954 7.210 595 HH21 ARG 70 HH21 ARG 70 -27.122 -2.804 5.705 596 HH22 ARG 70 HH22 ARG 70 -28.807 -2.757 6.103 597 H LYS 71 HN LYS 71 -26.414 2.700 5.896 598 HA LYS 71 HA LYS 71 -28.104 3.069 3.652 599 HB2 LYS 71 HB2 LYS 71 -28.918 3.249 5.958 600 HB3 LYS 71 HB1 LYS 71 -27.914 4.669 6.212 601 HG2 LYS 71 HG2 LYS 71 -30.219 5.305 5.835 602 HG3 LYS 71 HG1 LYS 71 -29.198 5.878 4.515 603 HD2 LYS 71 HD2 LYS 71 -29.918 4.017 3.124 604 HD3 LYS 71 HD1 LYS 71 -30.896 3.384 4.449 605 HE2 LYS 71 HE2 LYS 71 -31.280 6.072 3.136 606 HE3 LYS 71 HE1 LYS 71 -32.227 4.627 2.780 607 HZ1 LYS 71 HZ1 LYS 71 -33.366 6.078 4.340 608 HZ2 LYS 71 HZ2 LYS 71 -32.068 5.979 5.421 609 HZ3 LYS 71 HZ3 LYS 71 -32.985 4.601 5.073 610 H1 ALA 15 HT1 ALA 15 17.434 1.876 14.475 611 H2 ALA 15 HT2 ALA 15 18.935 1.732 13.709 612 H3 ALA 15 HT3 ALA 15 17.943 0.374 13.886 613 HA ALA 15 HA ALA 15 17.894 1.222 11.623 614 HB1 ALA 15 HB1 ALA 15 15.951 0.049 12.541 615 HB2 ALA 15 HB2 ALA 15 15.472 1.293 11.385 616 HB3 ALA 15 HB3 ALA 15 15.298 1.584 13.115 617 HA PRO 16 HA PRO 16 18.147 5.815 12.286 618 HB2 PRO 16 HB2 PRO 16 20.155 6.223 10.507 619 HB3 PRO 16 HB1 PRO 16 20.443 5.774 12.193 620 HG2 PRO 16 HG2 PRO 16 20.432 4.045 9.748 621 HG3 PRO 16 HG1 PRO 16 21.571 4.052 11.108 622 HD2 PRO 16 HD2 PRO 16 19.580 2.235 10.895 623 HD3 PRO 16 HD1 PRO 16 20.154 2.835 12.463 624 H ARG 17 HN ARG 17 18.611 7.422 10.198 625 HA ARG 17 HA ARG 17 17.627 8.385 8.392 626 HB2 ARG 17 HB2 ARG 17 17.416 5.520 7.445 627 HB3 ARG 17 HB1 ARG 17 17.213 6.944 6.434 628 HG2 ARG 17 HG2 ARG 17 19.507 7.573 6.761 629 HG3 ARG 17 HG1 ARG 17 19.738 6.266 7.924 630 HD2 ARG 17 HD2 ARG 17 20.656 5.687 5.732 631 HD3 ARG 17 HD1 ARG 17 19.325 4.620 6.178 632 HE ARG 17 HE ARG 17 18.170 6.617 4.701 633 HH11 ARG 17 HH11 ARG 17 20.711 4.289 4.184 634 HH12 ARG 17 HH12 ARG 17 20.435 4.174 2.479 635 HH21 ARG 17 HH21 ARG 17 17.797 6.470 2.456 636 HH22 ARG 17 HH22 ARG 17 18.778 5.414 1.496 637 H LYS 18 HN LYS 18 15.891 8.833 10.020 638 HA LYS 18 HA LYS 18 13.339 7.896 8.948 639 HB2 LYS 18 HB2 LYS 18 13.816 6.489 10.918 640 HB3 LYS 18 HB1 LYS 18 13.989 7.935 11.901 641 HG2 LYS 18 HG2 LYS 18 11.639 8.503 11.437 642 HG3 LYS 18 HG1 LYS 18 11.480 7.001 10.524 643 HD2 LYS 18 HD2 LYS 18 12.068 5.731 12.549 644 HD3 LYS 18 HD1 LYS 18 12.169 7.245 13.452 645 HE2 LYS 18 HE2 LYS 18 9.715 6.140 12.088 646 HE3 LYS 18 HE1 LYS 18 10.025 6.150 13.824 647 HZ1 LYS 18 HZ1 LYS 18 10.026 8.566 13.774 648 HZ2 LYS 18 HZ2 LYS 18 8.566 7.961 13.174 649 HZ3 LYS 18 HZ3 LYS 18 9.734 8.558 12.107 650 H GLN 19 HN GLN 19 13.941 9.721 11.903 651 HA GLN 19 HA GLN 19 13.342 11.808 12.561 652 HB2 GLN 19 HB2 GLN 19 15.156 12.375 10.962 653 HB3 GLN 19 HB1 GLN 19 13.951 12.546 9.694 654 HG2 GLN 19 HG2 GLN 19 12.901 14.367 10.931 655 HG3 GLN 19 HG1 GLN 19 14.104 14.194 12.207 656 HE21 GLN 19 HE21 GLN 19 16.239 13.626 10.269 657 HE22 GLN 19 HE22 GLN 19 16.641 15.147 9.557 658 H LEU 20 HN LEU 20 12.252 12.446 9.276 659 HA LEU 20 HA LEU 20 9.471 12.411 10.249 660 HB2 LEU 20 HB2 LEU 20 10.322 14.708 9.982 661 HB3 LEU 20 HB1 LEU 20 10.702 14.367 8.305 662 HG LEU 20 HG LEU 20 8.269 13.971 7.894 663 HD11 LEU 20 HD11 LEU 20 7.990 15.053 10.693 664 HD12 LEU 20 HD12 LEU 20 7.593 13.419 10.163 665 HD13 LEU 20 HD13 LEU 20 6.669 14.792 9.554 666 HD21 LEU 20 HD21 LEU 20 9.052 16.673 8.978 667 HD22 LEU 20 HD22 LEU 20 7.652 16.352 7.954 668 HD23 LEU 20 HD23 LEU 20 9.280 16.097 7.326 669 H ALA 21 HN ALA 21 7.953 11.501 8.949 670 HA ALA 21 HA ALA 21 8.361 10.984 6.171 671 HB1 ALA 21 HB1 ALA 21 8.468 8.605 8.025 672 HB2 ALA 21 HB2 ALA 21 9.827 9.252 7.105 673 HB3 ALA 21 HB3 ALA 21 8.444 8.555 6.261 674 H THR 22 HN THR 22 6.398 11.318 5.399 675 HA THR 22 HA THR 22 4.039 11.202 6.942 676 HB THR 22 HB THR 22 2.848 11.471 4.763 677 HG1 THR 22 HG1 THR 22 4.196 11.751 2.901 678 HG21 THR 22 HG21 THR 22 3.759 13.687 4.260 679 HG22 THR 22 HG22 THR 22 5.214 13.304 5.179 680 HG23 THR 22 HG23 THR 22 3.658 13.423 6.001 681 H LYS 23 HN LYS 23 4.861 9.208 4.085 682 HA LYS 23 HA LYS 23 3.589 6.926 5.427 683 HB2 LYS 23 HB2 LYS 23 3.190 7.731 2.541 684 HB3 LYS 23 HB1 LYS 23 2.638 6.216 3.239 685 HG2 LYS 23 HG2 LYS 23 0.723 7.443 3.355 686 HG3 LYS 23 HG1 LYS 23 1.415 7.806 4.938 687 HD2 LYS 23 HD2 LYS 23 0.688 9.869 4.017 688 HD3 LYS 23 HD1 LYS 23 2.447 9.849 3.890 689 HE2 LYS 23 HE2 LYS 23 1.433 10.695 1.840 690 HE3 LYS 23 HE1 LYS 23 2.279 9.176 1.550 691 HZ1 LYS 23 HZ1 LYS 23 0.161 8.020 1.634 692 HZ2 LYS 23 HZ2 LYS 23 0.132 9.221 0.444 693 HZ3 LYS 23 HZ3 LYS 23 -0.653 9.476 1.920 694 H ALA 24 HN ALA 24 4.842 5.183 5.504 695 HA ALA 24 HA ALA 24 7.228 5.129 3.787 696 HB1 ALA 24 HB1 ALA 24 7.655 5.220 6.192 697 HB2 ALA 24 HB2 ALA 24 8.250 3.721 5.481 698 HB3 ALA 24 HB3 ALA 24 6.750 3.721 6.408 699 H ALA 25 HN ALA 25 5.624 2.489 5.531 700 HA ALA 25 HA ALA 25 4.903 0.436 4.893 701 HB1 ALA 25 HB1 ALA 25 3.554 2.016 3.301 702 HB2 ALA 25 HB2 ALA 25 3.536 0.268 3.067 703 HB3 ALA 25 HB3 ALA 25 4.570 1.279 2.061 704 H ARG 26 HN ARG 26 5.792 -1.466 4.236 705 HA ARG 26 HA ARG 26 8.368 -1.263 2.836 706 HB2 ARG 26 HB2 ARG 26 8.593 -3.664 3.870 707 HB3 ARG 26 HB1 ARG 26 8.869 -2.239 4.862 708 HG2 ARG 26 HG2 ARG 26 7.359 -2.993 6.288 709 HG3 ARG 26 HG1 ARG 26 6.125 -2.795 5.045 710 HD2 ARG 26 HD2 ARG 26 7.840 -5.254 5.332 711 HD3 ARG 26 HD1 ARG 26 6.245 -5.075 6.065 712 HE ARG 26 HE ARG 26 5.773 -4.553 3.461 713 HH11 ARG 26 HH11 ARG 26 7.430 -7.158 5.079 714 HH12 ARG 26 HH12 ARG 26 6.952 -8.353 3.921 715 HH21 ARG 26 HH21 ARG 26 5.128 -6.127 1.939 716 HH22 ARG 26 HH22 ARG 26 5.647 -7.768 2.136 717 H MLY 27 HN MLY 27 8.919 -2.686 1.183 718 HA MLY 27 HA MLY 27 6.719 -3.566 -0.432 719 HB2 MLY 27 HB2 MLY 27 8.855 -2.597 -1.340 720 HB3 MLY 27 HB1 MLY 27 9.660 -4.094 -0.883 721 HG2 MLY 27 HG2 MLY 27 8.058 -5.321 -2.345 722 HG3 MLY 27 HG1 MLY 27 7.444 -3.760 -2.890 723 HD2 MLY 27 HD2 MLY 27 10.299 -4.701 -3.153 724 HD3 MLY 27 HD1 MLY 27 9.097 -4.715 -4.445 725 HE2 MLY 27 HE2 MLY 27 8.864 -2.227 -4.089 726 HE3 MLY 27 HE1 MLY 27 10.280 -2.326 -3.042 727 HH11 MLY 27 HH11 MLY 27 9.676 -0.946 -5.779 728 HH12 MLY 27 HH12 MLY 27 11.081 -0.632 -4.762 729 HH13 MLY 27 HH13 MLY 27 11.301 -1.201 -6.418 730 HH21 MLY 27 HH21 MLY 27 12.416 -2.456 -3.927 731 HH22 MLY 27 HH22 MLY 27 12.004 -4.121 -4.325 732 HH23 MLY 27 HH23 MLY 27 12.661 -3.055 -5.567 733 HZ MLY 27 HZ MLY 27 10.280 -3.296 -5.812 734 H SER 28 HN SER 28 9.599 -5.354 0.699 735 HA SER 28 HA SER 28 8.249 -7.450 1.943 736 HB2 SER 28 HB2 SER 28 7.361 -7.933 -0.318 737 HB3 SER 28 HB1 SER 28 9.009 -8.097 -0.920 738 HG SER 28 HG SER 28 8.678 -10.119 -0.400 739 H ALA 29 HN ALA 29 9.732 -9.559 1.855 740 HA ALA 29 HA ALA 29 12.557 -8.773 1.799 741 HB1 ALA 29 HB1 ALA 29 12.966 -9.733 3.979 742 HB2 ALA 29 HB2 ALA 29 11.266 -10.182 4.131 743 HB3 ALA 29 HB3 ALA 29 11.730 -8.480 4.103 744 HA PRO 30 HA PRO 30 12.244 -12.714 -0.495 745 HB2 PRO 30 HB2 PRO 30 15.128 -12.104 -0.862 746 HB3 PRO 30 HB1 PRO 30 13.906 -12.534 -2.063 747 HG2 PRO 30 HG2 PRO 30 14.791 -10.030 -1.857 748 HG3 PRO 30 HG1 PRO 30 13.084 -10.371 -2.196 749 HD2 PRO 30 HD2 PRO 30 14.379 -9.527 0.365 750 HD3 PRO 30 HD1 PRO 30 12.815 -9.041 -0.322 Start of MODEL 5 1 H MET 1 HT1 MET 1 15.210 -21.409 7.582 2 HA MET 1 HA MET 1 16.441 -18.833 8.366 3 HB2 MET 1 HB2 MET 1 16.771 -20.577 6.031 4 HB3 MET 1 HB1 MET 1 16.362 -18.916 5.617 5 HG2 MET 1 HG2 MET 1 18.261 -18.111 6.899 6 HG3 MET 1 HG1 MET 1 18.656 -19.761 7.378 7 HE1 MET 1 HE1 MET 1 20.594 -17.542 5.884 8 HE2 MET 1 HE2 MET 1 21.497 -18.637 4.839 9 HE3 MET 1 HE3 MET 1 21.150 -19.095 6.506 10 H GLU 2 HN GLU 2 15.547 -17.155 6.675 11 HA GLU 2 HA GLU 2 13.791 -15.849 6.071 12 HB2 GLU 2 HB2 GLU 2 12.331 -18.454 5.627 13 HB3 GLU 2 HB1 GLU 2 11.975 -16.900 4.884 14 HG2 GLU 2 HG2 GLU 2 14.089 -16.963 3.690 15 HG3 GLU 2 HG1 GLU 2 14.496 -18.496 4.464 16 H LEU 3 HN LEU 3 14.041 -16.865 8.873 17 HA LEU 3 HA LEU 3 11.681 -15.671 9.900 18 HB2 LEU 3 HB2 LEU 3 10.814 -17.924 9.273 19 HB3 LEU 3 HB1 LEU 3 11.967 -18.636 10.386 20 HG LEU 3 HG LEU 3 10.864 -17.468 12.260 21 HD11 LEU 3 HD11 LEU 3 8.917 -16.572 10.141 22 HD12 LEU 3 HD12 LEU 3 9.985 -15.543 11.096 23 HD13 LEU 3 HD13 LEU 3 8.669 -16.418 11.881 24 HD21 LEU 3 HD21 LEU 3 9.037 -19.141 10.542 25 HD22 LEU 3 HD22 LEU 3 8.803 -18.807 12.258 26 HD23 LEU 3 HD23 LEU 3 10.202 -19.738 11.724 27 H SER 4 HN SER 4 13.657 -14.540 10.656 28 HA SER 4 HA SER 4 14.154 -15.116 13.380 29 HB2 SER 4 HB2 SER 4 16.577 -15.604 13.247 30 HB3 SER 4 HB1 SER 4 15.614 -16.873 12.491 31 HG SER 4 HG SER 4 16.563 -14.757 10.916 32 H ALA 5 HN ALA 5 14.882 -13.455 10.445 33 HA ALA 5 HA ALA 5 15.097 -10.947 11.806 34 HB1 ALA 5 HB1 ALA 5 17.275 -10.349 10.826 35 HB2 ALA 5 HB2 ALA 5 17.474 -12.017 10.286 36 HB3 ALA 5 HB3 ALA 5 17.402 -11.650 12.011 37 H ILE 6 HN ILE 6 14.446 -9.328 10.515 38 HA ILE 6 HA ILE 6 13.932 -10.000 7.695 39 HB ILE 6 HB ILE 6 12.231 -7.872 8.633 40 HG12 ILE 6 HG12 ILE 6 11.877 -10.525 10.046 41 HG13 ILE 6 HG11 ILE 6 12.520 -9.076 10.814 42 HG21 ILE 6 HG21 ILE 6 11.991 -9.316 6.609 43 HG22 ILE 6 HG22 ILE 6 10.531 -9.171 7.584 44 HG23 ILE 6 HG23 ILE 6 11.512 -10.635 7.676 45 HD11 ILE 6 HD11 ILE 6 10.170 -9.402 11.341 46 HD12 ILE 6 HD12 ILE 6 9.770 -9.365 9.624 47 HD13 ILE 6 HD13 ILE 6 10.413 -7.924 10.411 48 H GLY 7 HN GLY 7 13.962 -7.054 9.709 49 HA2 GLY 7 HA2 GLY 7 15.310 -5.161 9.469 50 HA3 GLY 7 HA1 GLY 7 16.036 -5.890 8.041 51 H GLU 8 HN GLU 8 13.280 -6.488 7.020 52 HA GLU 8 HA GLU 8 11.779 -5.596 5.578 53 HB2 GLU 8 HB2 GLU 8 12.053 -3.393 7.595 54 HB3 GLU 8 HB1 GLU 8 11.037 -3.181 6.177 55 HG2 GLU 8 HG2 GLU 8 9.750 -5.169 6.825 56 HG3 GLU 8 HG1 GLU 8 10.755 -5.333 8.264 57 H GLN 9 HN GLN 9 11.347 -3.424 4.252 58 HA GLN 9 HA GLN 9 13.848 -2.255 3.346 59 HB2 GLN 9 HB2 GLN 9 11.955 -3.825 1.618 60 HB3 GLN 9 HB1 GLN 9 13.078 -2.660 0.939 61 HG2 GLN 9 HG2 GLN 9 14.033 -4.853 2.709 62 HG3 GLN 9 HG1 GLN 9 13.687 -5.168 1.016 63 HE21 GLN 9 HE21 GLN 9 14.876 -2.051 1.970 64 HE22 GLN 9 HE22 GLN 9 16.468 -2.237 1.335 65 H VAL 10 HN VAL 10 11.969 -1.080 4.879 66 HA VAL 10 HA VAL 10 9.806 0.215 3.883 67 HB VAL 10 HB VAL 10 11.895 1.570 5.570 68 HG11 VAL 10 HG11 VAL 10 8.954 2.003 5.168 69 HG12 VAL 10 HG12 VAL 10 10.276 3.152 4.958 70 HG13 VAL 10 HG13 VAL 10 9.814 2.625 6.577 71 HG21 VAL 10 HG21 VAL 10 9.687 -0.301 6.441 72 HG22 VAL 10 HG22 VAL 10 10.715 0.644 7.520 73 HG23 VAL 10 HG23 VAL 10 11.421 -0.618 6.513 74 H PHE 11 HN PHE 11 9.437 1.500 2.208 75 HA PHE 11 HA PHE 11 11.550 3.353 1.360 76 HB2 PHE 11 HB2 PHE 11 9.797 1.670 -0.441 77 HB3 PHE 11 HB1 PHE 11 10.782 3.010 -1.008 78 HD1 PHE 11 HD2 PHE 11 13.228 2.481 0.708 79 HD2 PHE 11 HD1 PHE 11 10.759 -0.082 -1.623 80 HE1 PHE 11 HE2 PHE 11 15.125 0.945 0.397 81 HE2 PHE 11 HE1 PHE 11 12.654 -1.623 -1.942 82 HZ PHE 11 HZ PHE 11 14.839 -1.109 -0.929 83 H ALA 12 HN ALA 12 10.079 4.538 -0.723 84 HA ALA 12 HA ALA 12 8.017 5.947 0.830 85 HB1 ALA 12 HB1 ALA 12 8.342 7.724 -0.953 86 HB2 ALA 12 HB2 ALA 12 9.750 6.802 -1.473 87 HB3 ALA 12 HB3 ALA 12 9.687 7.468 0.158 88 H VAL 13 HN VAL 13 5.939 5.736 0.267 89 HA VAL 13 HA VAL 13 5.322 4.411 -2.285 90 HB VAL 13 HB VAL 13 3.265 4.857 -0.164 91 HG11 VAL 13 HG11 VAL 13 2.778 2.434 -1.119 92 HG12 VAL 13 HG12 VAL 13 3.670 3.082 -2.495 93 HG13 VAL 13 HG13 VAL 13 2.214 3.899 -1.925 94 HG21 VAL 13 HG21 VAL 13 3.843 2.618 0.763 95 HG22 VAL 13 HG22 VAL 13 4.991 3.906 1.151 96 HG23 VAL 13 HG23 VAL 13 5.379 2.725 -0.101 97 H GLU 14 HN GLU 14 4.513 5.607 -3.902 98 HA GLU 14 HA GLU 14 3.818 8.307 -3.694 99 HB2 GLU 14 HB2 GLU 14 3.202 6.168 -5.715 100 HB3 GLU 14 HB1 GLU 14 2.430 7.742 -5.850 101 HG2 GLU 14 HG2 GLU 14 4.633 8.806 -5.927 102 HG3 GLU 14 HG1 GLU 14 5.386 7.219 -5.829 103 H SER 15 HN SER 15 1.871 5.377 -3.764 104 HA SER 15 HA SER 15 0.106 5.845 -1.787 105 HB2 SER 15 HB2 SER 15 -0.699 7.900 -2.668 106 HB3 SER 15 HB1 SER 15 -0.851 7.231 -4.292 107 HG SER 15 HG SER 15 -2.746 7.403 -2.577 108 H ILE 16 HN ILE 16 -1.782 4.477 -1.813 109 HA ILE 16 HA ILE 16 -1.305 2.000 -3.023 110 HB ILE 16 HB ILE 16 -3.986 2.940 -2.017 111 HG12 ILE 16 HG12 ILE 16 -1.634 1.837 -0.473 112 HG13 ILE 16 HG11 ILE 16 -2.326 3.448 -0.321 113 HG21 ILE 16 HG21 ILE 16 -4.303 0.580 -1.450 114 HG22 ILE 16 HG22 ILE 16 -2.721 0.204 -2.142 115 HG23 ILE 16 HG23 ILE 16 -4.018 0.799 -3.179 116 HD11 ILE 16 HD11 ILE 16 -2.925 1.740 1.442 117 HD12 ILE 16 HD12 ILE 16 -3.937 0.983 0.226 118 HD13 ILE 16 HD13 ILE 16 -4.248 2.644 0.727 119 H ARG 17 HN ARG 17 -2.754 0.843 -4.467 120 HA ARG 17 HA ARG 17 -3.978 2.546 -6.528 121 HB2 ARG 17 HB2 ARG 17 -1.869 0.508 -6.752 122 HB3 ARG 17 HB1 ARG 17 -3.173 0.338 -7.913 123 HG2 ARG 17 HG2 ARG 17 -2.786 2.789 -8.438 124 HG3 ARG 17 HG1 ARG 17 -1.274 2.622 -7.548 125 HD2 ARG 17 HD2 ARG 17 -0.580 0.831 -9.032 126 HD3 ARG 17 HD1 ARG 17 -2.112 0.925 -9.896 127 HE ARG 17 HE ARG 17 -0.070 3.051 -9.897 128 HH11 ARG 17 HH11 ARG 17 -2.665 1.291 -11.418 129 HH12 ARG 17 HH12 ARG 17 -2.548 2.157 -12.913 130 HH21 ARG 17 HH21 ARG 17 0.091 4.196 -11.862 131 HH22 ARG 17 HH22 ARG 17 -0.983 3.808 -13.166 132 H LYS 18 HN LYS 18 -3.769 -0.663 -5.058 133 HA LYS 18 HA LYS 18 -6.628 -1.044 -5.596 134 HB2 LYS 18 HB2 LYS 18 -4.555 -3.172 -6.035 135 HB3 LYS 18 HB1 LYS 18 -6.275 -3.291 -6.344 136 HG2 LYS 18 HG2 LYS 18 -6.166 -1.891 -8.191 137 HG3 LYS 18 HG1 LYS 18 -4.593 -1.252 -7.720 138 HD2 LYS 18 HD2 LYS 18 -3.633 -3.499 -8.103 139 HD3 LYS 18 HD1 LYS 18 -5.197 -4.009 -8.719 140 HE2 LYS 18 HE2 LYS 18 -3.682 -1.685 -9.835 141 HE3 LYS 18 HE1 LYS 18 -3.506 -3.323 -10.458 142 HZ1 LYS 18 HZ1 LYS 18 -5.871 -3.336 -10.965 143 HZ2 LYS 18 HZ2 LYS 18 -5.102 -2.049 -11.747 144 HZ3 LYS 18 HZ3 LYS 18 -6.033 -1.762 -10.364 145 H LYS 19 HN LYS 19 -7.376 -3.127 -4.454 146 HA LYS 19 HA LYS 19 -5.961 -3.753 -1.999 147 HB2 LYS 19 HB2 LYS 19 -7.238 -1.936 -1.153 148 HB3 LYS 19 HB1 LYS 19 -8.673 -2.442 -2.026 149 HG2 LYS 19 HG2 LYS 19 -8.767 -4.464 -0.609 150 HG3 LYS 19 HG1 LYS 19 -7.392 -3.848 0.305 151 HD2 LYS 19 HD2 LYS 19 -8.759 -1.817 0.809 152 HD3 LYS 19 HD1 LYS 19 -10.136 -2.630 0.063 153 HE2 LYS 19 HE2 LYS 19 -9.720 -4.523 1.670 154 HE3 LYS 19 HE1 LYS 19 -8.597 -3.468 2.509 155 HZ1 LYS 19 HZ1 LYS 19 -10.405 -1.889 2.858 156 HZ2 LYS 19 HZ2 LYS 19 -10.768 -3.395 3.539 157 HZ3 LYS 19 HZ3 LYS 19 -11.486 -2.934 2.078 158 H ARG 20 HN ARG 20 -6.097 -5.887 -1.702 159 HA ARG 20 HA ARG 20 -8.536 -7.248 -2.586 160 HB2 ARG 20 HB2 ARG 20 -7.442 -8.846 -3.836 161 HB3 ARG 20 HB1 ARG 20 -6.457 -7.434 -4.169 162 HG2 ARG 20 HG2 ARG 20 -4.745 -8.164 -2.715 163 HG3 ARG 20 HG1 ARG 20 -5.771 -9.426 -2.028 164 HD2 ARG 20 HD2 ARG 20 -5.841 -10.517 -4.243 165 HD3 ARG 20 HD1 ARG 20 -4.733 -9.292 -4.852 166 HE ARG 20 HE ARG 20 -3.789 -10.732 -2.537 167 HH11 ARG 20 HH11 ARG 20 -3.900 -10.599 -6.017 168 HH12 ARG 20 HH12 ARG 20 -2.494 -11.587 -6.228 169 HH21 ARG 20 HH21 ARG 20 -1.941 -12.036 -2.804 170 HH22 ARG 20 HH22 ARG 20 -1.380 -12.405 -4.401 171 H VAL 21 HN VAL 21 -9.342 -8.643 -1.174 172 HA VAL 21 HA VAL 21 -7.723 -9.248 1.207 173 HB VAL 21 HB VAL 21 -10.718 -8.921 0.971 174 HG11 VAL 21 HG11 VAL 21 -9.142 -9.585 3.452 175 HG12 VAL 21 HG12 VAL 21 -10.017 -10.791 2.500 176 HG13 VAL 21 HG13 VAL 21 -10.897 -9.479 3.284 177 HG21 VAL 21 HG21 VAL 21 -8.859 -7.448 2.797 178 HG22 VAL 21 HG22 VAL 21 -10.475 -6.985 2.248 179 HG23 VAL 21 HG23 VAL 21 -9.108 -6.911 1.133 180 H ARG 22 HN ARG 22 -7.862 -11.349 2.105 181 HA ARG 22 HA ARG 22 -9.136 -13.401 0.429 182 HB2 ARG 22 HB2 ARG 22 -6.638 -13.191 0.013 183 HB3 ARG 22 HB1 ARG 22 -6.411 -13.747 1.666 184 HG2 ARG 22 HG2 ARG 22 -7.611 -15.814 1.128 185 HG3 ARG 22 HG1 ARG 22 -7.797 -15.254 -0.532 186 HD2 ARG 22 HD2 ARG 22 -5.430 -15.265 -0.871 187 HD3 ARG 22 HD1 ARG 22 -5.158 -15.620 0.829 188 HE ARG 22 HE ARG 22 -6.731 -17.667 -0.170 189 HH11 ARG 22 HH11 ARG 22 -3.541 -16.370 -0.721 190 HH12 ARG 22 HH12 ARG 22 -2.872 -17.888 -1.216 191 HH21 ARG 22 HH21 ARG 22 -5.854 -19.668 -0.818 192 HH22 ARG 22 HH22 ARG 22 -4.185 -19.761 -1.271 193 H LYS 23 HN LYS 23 -10.768 -13.886 1.842 194 HA LYS 23 HA LYS 23 -11.802 -14.754 3.674 195 HB2 LYS 23 HB2 LYS 23 -9.037 -15.831 4.183 196 HB3 LYS 23 HB1 LYS 23 -10.448 -16.279 5.132 197 HG2 LYS 23 HG2 LYS 23 -11.392 -17.481 3.411 198 HG3 LYS 23 HG1 LYS 23 -10.509 -16.593 2.173 199 HD2 LYS 23 HD2 LYS 23 -9.571 -18.784 2.293 200 HD3 LYS 23 HD1 LYS 23 -8.415 -17.662 3.014 201 HE2 LYS 23 HE2 LYS 23 -8.487 -19.515 4.467 202 HE3 LYS 23 HE1 LYS 23 -9.442 -18.254 5.243 203 HZ1 LYS 23 HZ1 LYS 23 -10.542 -20.403 5.359 204 HZ2 LYS 23 HZ2 LYS 23 -10.542 -20.519 3.672 205 HZ3 LYS 23 HZ3 LYS 23 -11.451 -19.314 4.436 206 H GLY 24 HN GLY 24 -9.764 -12.308 3.717 207 HA2 GLY 24 HA2 GLY 24 -10.493 -10.655 5.510 208 HA3 GLY 24 HA1 GLY 24 -9.859 -11.860 6.618 209 H LYS 25 HN LYS 25 -7.783 -12.413 4.416 210 HA LYS 25 HA LYS 25 -5.756 -10.743 5.492 211 HB2 LYS 25 HB2 LYS 25 -5.663 -12.513 3.053 212 HB3 LYS 25 HB1 LYS 25 -4.275 -11.860 3.909 213 HG2 LYS 25 HG2 LYS 25 -4.786 -13.177 5.850 214 HG3 LYS 25 HG1 LYS 25 -6.283 -13.748 5.109 215 HD2 LYS 25 HD2 LYS 25 -4.593 -15.454 4.888 216 HD3 LYS 25 HD1 LYS 25 -4.950 -14.765 3.302 217 HE2 LYS 25 HE2 LYS 25 -2.954 -13.497 3.296 218 HE3 LYS 25 HE1 LYS 25 -2.662 -13.816 5.004 219 HZ1 LYS 25 HZ1 LYS 25 -2.539 -15.799 2.796 220 HZ2 LYS 25 HZ2 LYS 25 -2.345 -16.169 4.434 221 HZ3 LYS 25 HZ3 LYS 25 -1.224 -15.170 3.656 222 H VAL 26 HN VAL 26 -5.869 -8.623 5.056 223 HA VAL 26 HA VAL 26 -6.746 -7.669 2.476 224 HB VAL 26 HB VAL 26 -5.684 -6.101 4.808 225 HG11 VAL 26 HG11 VAL 26 -7.361 -5.187 2.478 226 HG12 VAL 26 HG12 VAL 26 -5.621 -4.959 2.602 227 HG13 VAL 26 HG13 VAL 26 -6.696 -4.185 3.762 228 HG21 VAL 26 HG21 VAL 26 -8.548 -6.173 4.159 229 HG22 VAL 26 HG22 VAL 26 -7.754 -6.005 5.720 230 HG23 VAL 26 HG23 VAL 26 -7.876 -7.590 4.953 231 H GLU 27 HN GLU 27 -5.563 -6.711 0.937 232 HA GLU 27 HA GLU 27 -2.697 -6.291 1.350 233 HB2 GLU 27 HB2 GLU 27 -3.927 -7.540 -1.111 234 HB3 GLU 27 HB1 GLU 27 -2.223 -7.212 -0.848 235 HG2 GLU 27 HG2 GLU 27 -2.641 -8.729 1.272 236 HG3 GLU 27 HG1 GLU 27 -3.936 -9.348 0.259 237 H TYR 28 HN TYR 28 -1.799 -4.747 -0.234 238 HA TYR 28 HA TYR 28 -3.820 -3.023 -1.462 239 HB2 TYR 28 HB2 TYR 28 -1.862 -2.248 0.664 240 HB3 TYR 28 HB1 TYR 28 -2.454 -1.051 -0.472 241 HD1 TYR 28 HD1 TYR 28 -5.188 -1.286 -0.746 242 HD2 TYR 28 HD2 TYR 28 -2.930 -2.237 2.744 243 HE1 TYR 28 HE1 TYR 28 -7.171 -0.948 0.650 244 HE2 TYR 28 HE2 TYR 28 -4.915 -1.868 4.117 245 HH TYR 28 HH TYR 28 -8.043 -1.575 2.807 246 H LEU 29 HN LEU 29 -3.216 -3.039 -3.571 247 HA LEU 29 HA LEU 29 -0.565 -3.390 -4.477 248 HB2 LEU 29 HB2 LEU 29 -2.776 -3.697 -5.787 249 HB3 LEU 29 HB1 LEU 29 -2.723 -1.966 -6.034 250 HG LEU 29 HG LEU 29 -1.825 -3.546 -7.885 251 HD11 LEU 29 HD11 LEU 29 -1.694 -1.087 -7.796 252 HD12 LEU 29 HD12 LEU 29 -0.353 -1.847 -8.644 253 HD13 LEU 29 HD13 LEU 29 -0.131 -1.234 -7.004 254 HD21 LEU 29 HD21 LEU 29 0.555 -3.413 -6.061 255 HD22 LEU 29 HD22 LEU 29 0.564 -4.010 -7.718 256 HD23 LEU 29 HD23 LEU 29 -0.345 -4.869 -6.474 257 H VAL 30 HN VAL 30 0.799 -1.963 -3.464 258 HA VAL 30 HA VAL 30 0.230 0.864 -3.404 259 HB VAL 30 HB VAL 30 2.569 0.968 -2.394 260 HG11 VAL 30 HG11 VAL 30 1.789 0.130 -0.229 261 HG12 VAL 30 HG12 VAL 30 0.452 -0.694 -1.035 262 HG13 VAL 30 HG13 VAL 30 0.541 1.068 -1.052 263 HG21 VAL 30 HG21 VAL 30 3.451 -1.144 -1.523 264 HG22 VAL 30 HG22 VAL 30 3.412 -1.132 -3.286 265 HG23 VAL 30 HG23 VAL 30 2.186 -2.021 -2.382 266 H LYS 31 HN LYS 31 1.062 2.444 -4.585 267 HA LYS 31 HA LYS 31 2.728 1.770 -6.885 268 HB2 LYS 31 HB2 LYS 31 0.681 3.159 -7.199 269 HB3 LYS 31 HB1 LYS 31 1.379 4.383 -6.150 270 HG2 LYS 31 HG2 LYS 31 3.332 4.402 -7.828 271 HG3 LYS 31 HG1 LYS 31 2.209 3.574 -8.907 272 HD2 LYS 31 HD2 LYS 31 1.665 6.222 -7.566 273 HD3 LYS 31 HD1 LYS 31 2.251 6.037 -9.218 274 HE2 LYS 31 HE2 LYS 31 -0.022 6.277 -9.539 275 HE3 LYS 31 HE1 LYS 31 0.157 4.525 -9.511 276 HZ1 LYS 31 HZ1 LYS 31 -0.628 6.169 -7.167 277 HZ2 LYS 31 HZ2 LYS 31 -0.584 4.480 -7.245 278 HZ3 LYS 31 HZ3 LYS 31 -1.715 5.339 -8.162 279 H TRP 32 HN TRP 32 4.835 1.768 -6.472 280 HA TRP 32 HA TRP 32 6.017 3.208 -4.302 281 HB2 TRP 32 HB2 TRP 32 7.243 1.614 -6.562 282 HB3 TRP 32 HB1 TRP 32 8.136 2.235 -5.180 283 HD1 TRP 32 HD1 TRP 32 6.391 -0.780 -6.297 284 HE1 TRP 32 HE1 TRP 32 5.919 -2.361 -4.325 285 HE3 TRP 32 HE3 TRP 32 7.345 2.428 -2.450 286 HZ2 TRP 32 HZ2 TRP 32 5.944 -2.257 -1.500 287 HZ3 TRP 32 HZ3 TRP 32 7.101 1.619 -0.142 288 HH2 TRP 32 HH2 TRP 32 6.408 -0.673 0.322 289 H LYS 33 HN LYS 33 7.215 5.021 -4.285 290 HA LYS 33 HA LYS 33 6.945 6.907 -6.379 291 HB2 LYS 33 HB2 LYS 33 7.152 7.517 -3.990 292 HB3 LYS 33 HB1 LYS 33 8.828 6.980 -4.021 293 HG2 LYS 33 HG2 LYS 33 9.542 8.816 -5.125 294 HG3 LYS 33 HG1 LYS 33 8.052 8.970 -6.058 295 HD2 LYS 33 HD2 LYS 33 8.175 10.836 -4.568 296 HD3 LYS 33 HD1 LYS 33 6.928 9.741 -3.975 297 HE2 LYS 33 HE2 LYS 33 7.992 9.392 -2.058 298 HE3 LYS 33 HE1 LYS 33 9.523 9.126 -2.880 299 HZ1 LYS 33 HZ1 LYS 33 8.353 11.766 -2.195 300 HZ2 LYS 33 HZ2 LYS 33 9.810 11.534 -3.022 301 HZ3 LYS 33 HZ3 LYS 33 9.660 11.028 -1.415 302 H GLY 34 HN GLY 34 8.396 7.674 -7.867 303 HA2 GLY 34 HA2 GLY 34 10.260 7.709 -9.219 304 HA3 GLY 34 HA1 GLY 34 11.125 6.846 -7.956 305 H TRP 35 HN TRP 35 8.639 4.902 -8.273 306 HA TRP 35 HA TRP 35 9.926 3.324 -10.392 307 HB2 TRP 35 HB2 TRP 35 8.306 2.498 -7.991 308 HB3 TRP 35 HB1 TRP 35 8.696 1.388 -9.294 309 HD1 TRP 35 HD1 TRP 35 10.255 3.176 -6.316 310 HE1 TRP 35 HE1 TRP 35 12.572 2.155 -5.857 311 HE3 TRP 35 HE3 TRP 35 10.683 0.225 -10.475 312 HZ2 TRP 35 HZ2 TRP 35 14.343 0.338 -7.089 313 HZ3 TRP 35 HZ3 TRP 35 12.721 -1.122 -10.756 314 HH2 TRP 35 HH2 TRP 35 14.514 -1.065 -9.098 315 HA PRO 36 HA PRO 36 6.300 3.621 -12.885 316 HB2 PRO 36 HB2 PRO 36 6.803 0.943 -13.928 317 HB3 PRO 36 HB1 PRO 36 6.949 2.494 -14.747 318 HG2 PRO 36 HG2 PRO 36 9.084 0.970 -14.089 319 HG3 PRO 36 HG1 PRO 36 9.142 2.731 -14.176 320 HD2 PRO 36 HD2 PRO 36 8.937 0.958 -11.785 321 HD3 PRO 36 HD1 PRO 36 9.868 2.447 -12.006 322 HA PRO 37 HA PRO 37 2.992 1.413 -10.915 323 HB2 PRO 37 HB2 PRO 37 1.292 1.003 -13.043 324 HB3 PRO 37 HB1 PRO 37 1.417 2.523 -12.152 325 HG2 PRO 37 HG2 PRO 37 2.664 1.743 -14.755 326 HG3 PRO 37 HG1 PRO 37 1.932 3.287 -14.281 327 HD2 PRO 37 HD2 PRO 37 4.596 2.950 -14.348 328 HD3 PRO 37 HD1 PRO 37 3.816 3.967 -13.120 329 H LYS 38 HN LYS 38 4.726 0.171 -13.590 330 HA LYS 38 HA LYS 38 3.591 -2.437 -13.697 331 HB2 LYS 38 HB2 LYS 38 6.290 -1.431 -14.614 332 HB3 LYS 38 HB1 LYS 38 5.581 -2.982 -15.051 333 HG2 LYS 38 HG2 LYS 38 3.851 -1.930 -16.300 334 HG3 LYS 38 HG1 LYS 38 4.296 -0.339 -15.687 335 HD2 LYS 38 HD2 LYS 38 6.009 -2.084 -17.449 336 HD3 LYS 38 HD1 LYS 38 5.081 -0.683 -17.984 337 HE2 LYS 38 HE2 LYS 38 6.403 0.675 -16.317 338 HE3 LYS 38 HE1 LYS 38 7.433 -0.739 -16.107 339 HZ1 LYS 38 HZ1 LYS 38 6.976 0.700 -18.665 340 HZ2 LYS 38 HZ2 LYS 38 7.961 -0.659 -18.465 341 HZ3 LYS 38 HZ3 LYS 38 8.371 0.797 -17.711 342 H TYR 39 HN TYR 39 5.947 -0.895 -11.706 343 HA TYR 39 HA TYR 39 6.927 -3.452 -10.702 344 HB2 TYR 39 HB2 TYR 39 7.839 -0.610 -10.382 345 HB3 TYR 39 HB1 TYR 39 8.402 -1.858 -9.284 346 HD1 TYR 39 HD1 TYR 39 8.508 -0.606 -12.694 347 HD2 TYR 39 HD2 TYR 39 9.917 -3.597 -10.033 348 HE1 TYR 39 HE1 TYR 39 10.250 -1.202 -14.305 349 HE2 TYR 39 HE2 TYR 39 11.672 -4.216 -11.641 350 HH TYR 39 HH TYR 39 12.133 -4.042 -14.021 351 H SER 40 HN SER 40 4.264 -1.752 -10.125 352 HA SER 40 HA SER 40 4.162 -1.195 -7.415 353 HB2 SER 40 HB2 SER 40 1.978 -2.354 -9.148 354 HB3 SER 40 HB1 SER 40 1.735 -1.663 -7.549 355 HG SER 40 HG SER 40 1.316 -0.114 -9.143 356 H THR 41 HN THR 41 3.295 -2.436 -5.614 357 HA THR 41 HA THR 41 3.498 -5.339 -5.985 358 HB THR 41 HB THR 41 4.885 -5.656 -4.048 359 HG1 THR 41 HG1 THR 41 5.785 -3.589 -3.111 360 HG21 THR 41 HG21 THR 41 5.940 -5.060 -6.274 361 HG22 THR 41 HG22 THR 41 6.953 -4.827 -4.850 362 HG23 THR 41 HG23 THR 41 6.183 -3.441 -5.621 363 H TRP 42 HN TRP 42 2.528 -6.609 -4.329 364 HA TRP 42 HA TRP 42 0.257 -5.259 -3.093 365 HB2 TRP 42 HB2 TRP 42 0.911 -8.146 -3.647 366 HB3 TRP 42 HB1 TRP 42 -0.421 -7.687 -2.591 367 HD1 TRP 42 HD1 TRP 42 0.498 -8.051 -6.212 368 HE1 TRP 42 HE1 TRP 42 -1.525 -7.433 -7.680 369 HE3 TRP 42 HE3 TRP 42 -2.505 -5.973 -2.626 370 HZ2 TRP 42 HZ2 TRP 42 -4.057 -6.224 -7.354 371 HZ3 TRP 42 HZ3 TRP 42 -4.712 -5.115 -3.296 372 HH2 TRP 42 HH2 TRP 42 -5.463 -5.237 -5.618 373 H GLU 43 HN GLU 43 0.760 -4.395 -1.179 374 HA GLU 43 HA GLU 43 2.384 -5.988 0.675 375 HB2 GLU 43 HB2 GLU 43 1.783 -3.026 0.733 376 HB3 GLU 43 HB1 GLU 43 2.823 -3.885 1.861 377 HG2 GLU 43 HG2 GLU 43 3.287 -3.440 -1.076 378 HG3 GLU 43 HG1 GLU 43 4.194 -2.755 0.272 379 HA PRO 44 HA PRO 44 -1.438 -6.959 2.783 380 HB2 PRO 44 HB2 PRO 44 -0.126 -7.440 5.226 381 HB3 PRO 44 HB1 PRO 44 -0.531 -8.643 4.000 382 HG2 PRO 44 HG2 PRO 44 2.040 -7.229 4.494 383 HG3 PRO 44 HG1 PRO 44 1.758 -8.888 3.937 384 HD2 PRO 44 HD2 PRO 44 2.559 -6.982 2.246 385 HD3 PRO 44 HD1 PRO 44 1.381 -8.214 1.742 386 H GLU 45 HN GLU 45 -2.802 -5.821 3.953 387 HA GLU 45 HA GLU 45 -2.386 -3.138 4.526 388 HB2 GLU 45 HB2 GLU 45 -4.573 -3.847 4.143 389 HB3 GLU 45 HB1 GLU 45 -4.453 -5.164 5.285 390 HG2 GLU 45 HG2 GLU 45 -4.882 -3.862 7.058 391 HG3 GLU 45 HG1 GLU 45 -4.262 -2.394 6.327 392 H GLU 46 HN GLU 46 -1.366 -5.851 6.270 393 HA GLU 46 HA GLU 46 -1.357 -4.523 8.856 394 HB2 GLU 46 HB2 GLU 46 -0.243 -7.216 8.049 395 HB3 GLU 46 HB1 GLU 46 -0.403 -6.617 9.694 396 HG2 GLU 46 HG2 GLU 46 -2.822 -6.578 9.462 397 HG3 GLU 46 HG1 GLU 46 -2.680 -7.137 7.796 398 H HIS 47 HN HIS 47 0.728 -4.995 6.164 399 HA HIS 47 HA HIS 47 3.107 -4.298 7.711 400 HB2 HIS 47 HB2 HIS 47 2.675 -5.375 4.946 401 HB3 HIS 47 HB1 HIS 47 4.205 -4.618 5.377 402 HD1 HIS 47 HD1 HIS 47 2.031 -7.565 6.294 403 HD2 HIS 47 HD2 HIS 47 5.899 -6.171 6.896 404 HE1 HIS 47 HE1 HIS 47 3.268 -9.463 7.387 405 HE2 HIS 47 HE2 HIS 47 5.602 -8.591 7.758 406 H ILE 48 HN ILE 48 0.817 -2.836 5.542 407 HA ILE 48 HA ILE 48 2.310 -0.720 4.483 408 HB ILE 48 HB ILE 48 -0.519 -0.482 5.559 409 HG12 ILE 48 HG12 ILE 48 -0.143 -2.420 3.967 410 HG13 ILE 48 HG11 ILE 48 -1.345 -1.242 3.459 411 HG21 ILE 48 HG21 ILE 48 -0.705 1.226 3.731 412 HG22 ILE 48 HG22 ILE 48 1.041 1.096 3.527 413 HG23 ILE 48 HG23 ILE 48 0.373 1.663 5.056 414 HD11 ILE 48 HD11 ILE 48 -0.048 -0.462 1.739 415 HD12 ILE 48 HD12 ILE 48 0.398 -2.169 1.768 416 HD13 ILE 48 HD13 ILE 48 1.460 -0.967 2.501 417 H LEU 49 HN LEU 49 3.768 0.194 5.722 418 HA LEU 49 HA LEU 49 3.592 0.636 8.491 419 HB2 LEU 49 HB2 LEU 49 5.397 2.048 6.559 420 HB3 LEU 49 HB1 LEU 49 5.684 1.770 8.257 421 HG LEU 49 HG LEU 49 5.417 -0.509 6.323 422 HD11 LEU 49 HD11 LEU 49 7.113 0.869 5.409 423 HD12 LEU 49 HD12 LEU 49 7.874 -0.511 6.198 424 HD13 LEU 49 HD13 LEU 49 7.880 1.070 6.982 425 HD21 LEU 49 HD21 LEU 49 5.264 -1.044 8.647 426 HD22 LEU 49 HD22 LEU 49 6.756 -0.180 8.995 427 HD23 LEU 49 HD23 LEU 49 6.787 -1.643 8.006 428 H ASP 50 HN ASP 50 1.804 2.157 6.231 429 HA ASP 50 HA ASP 50 1.486 4.489 7.954 430 HB2 ASP 50 HB2 ASP 50 2.998 4.731 5.698 431 HB3 ASP 50 HB1 ASP 50 1.402 5.149 5.083 432 HA PRO 51 HA PRO 51 -2.708 2.967 7.048 433 HB2 PRO 51 HB2 PRO 51 -3.367 5.004 9.070 434 HB3 PRO 51 HB1 PRO 51 -3.762 3.286 9.048 435 HG2 PRO 51 HG2 PRO 51 -1.941 4.246 10.743 436 HG3 PRO 51 HG1 PRO 51 -1.708 2.677 9.949 437 HD2 PRO 51 HD2 PRO 51 -0.497 5.328 9.273 438 HD3 PRO 51 HD1 PRO 51 0.258 3.724 9.349 439 H ARG 52 HN ARG 52 -1.473 6.261 7.167 440 HA ARG 52 HA ARG 52 -3.658 7.632 6.135 441 HB2 ARG 52 HB2 ARG 52 -0.698 8.052 5.952 442 HB3 ARG 52 HB1 ARG 52 -1.760 9.046 4.970 443 HG2 ARG 52 HG2 ARG 52 -1.299 10.246 6.962 444 HG3 ARG 52 HG1 ARG 52 -2.966 9.682 7.060 445 HD2 ARG 52 HD2 ARG 52 -1.955 9.322 9.186 446 HD3 ARG 52 HD1 ARG 52 -2.160 7.755 8.410 447 HE ARG 52 HE ARG 52 0.391 8.608 7.779 448 HH11 ARG 52 HH11 ARG 52 -1.416 7.845 10.660 449 HH12 ARG 52 HH12 ARG 52 -0.025 7.331 11.553 450 HH21 ARG 52 HH21 ARG 52 2.231 7.937 8.951 451 HH22 ARG 52 HH22 ARG 52 2.047 7.385 10.583 452 H LEU 53 HN LEU 53 -1.281 5.592 4.580 453 HA LEU 53 HA LEU 53 -1.958 6.112 1.889 454 HB2 LEU 53 HB2 LEU 53 -0.704 3.790 3.328 455 HB3 LEU 53 HB1 LEU 53 -1.104 3.659 1.630 456 HG LEU 53 HG LEU 53 0.621 5.906 2.619 457 HD11 LEU 53 HD11 LEU 53 1.519 3.137 1.844 458 HD12 LEU 53 HD12 LEU 53 1.646 3.862 3.447 459 HD13 LEU 53 HD13 LEU 53 2.578 4.522 2.102 460 HD21 LEU 53 HD21 LEU 53 0.376 4.458 -0.013 461 HD22 LEU 53 HD22 LEU 53 1.474 5.798 0.328 462 HD23 LEU 53 HD23 LEU 53 -0.272 6.057 0.359 463 H VAL 54 HN VAL 54 -3.038 3.734 4.243 464 HA VAL 54 HA VAL 54 -4.896 2.369 2.631 465 HB VAL 54 HB VAL 54 -4.675 2.678 5.624 466 HG11 VAL 54 HG11 VAL 54 -6.840 1.619 4.066 467 HG12 VAL 54 HG12 VAL 54 -6.718 1.825 5.810 468 HG13 VAL 54 HG13 VAL 54 -6.110 0.355 5.049 469 HG21 VAL 54 HG21 VAL 54 -3.912 0.495 3.701 470 HG22 VAL 54 HG22 VAL 54 -3.863 0.333 5.458 471 HG23 VAL 54 HG23 VAL 54 -2.823 1.507 4.649 472 H MET 55 HN MET 55 -5.586 4.606 5.314 473 HA MET 55 HA MET 55 -8.246 4.994 4.997 474 HB2 MET 55 HB2 MET 55 -6.611 6.068 6.672 475 HB3 MET 55 HB1 MET 55 -6.443 7.341 5.483 476 HG2 MET 55 HG2 MET 55 -8.162 8.303 6.501 477 HG3 MET 55 HG1 MET 55 -9.150 7.088 5.704 478 HE1 MET 55 HE1 MET 55 -7.989 4.577 7.078 479 HE2 MET 55 HE2 MET 55 -9.754 4.586 7.110 480 HE3 MET 55 HE3 MET 55 -8.848 4.286 8.592 481 H ALA 56 HN ALA 56 -5.723 6.915 3.388 482 HA ALA 56 HA ALA 56 -7.388 8.502 1.829 483 HB1 ALA 56 HB1 ALA 56 -4.629 7.503 1.158 484 HB2 ALA 56 HB2 ALA 56 -5.010 8.949 2.091 485 HB3 ALA 56 HB3 ALA 56 -5.446 8.859 0.384 486 H TYR 57 HN TYR 57 -6.195 5.226 1.263 487 HA TYR 57 HA TYR 57 -6.934 5.002 -1.444 488 HB2 TYR 57 HB2 TYR 57 -5.476 3.349 -0.423 489 HB3 TYR 57 HB1 TYR 57 -6.747 2.877 0.702 490 HD1 TYR 57 HD1 TYR 57 -5.705 2.822 -2.822 491 HD2 TYR 57 HD2 TYR 57 -8.452 1.348 0.058 492 HE1 TYR 57 HE1 TYR 57 -6.521 1.171 -4.460 493 HE2 TYR 57 HE2 TYR 57 -9.274 -0.313 -1.560 494 HH TYR 57 HH TYR 57 -9.364 -0.608 -4.012 495 H GLU 58 HN GLU 58 -8.583 3.883 1.485 496 HA GLU 58 HA GLU 58 -11.006 3.271 0.140 497 HB2 GLU 58 HB2 GLU 58 -11.859 3.301 2.624 498 HB3 GLU 58 HB1 GLU 58 -10.780 2.037 2.057 499 HG2 GLU 58 HG2 GLU 58 -8.949 2.907 3.174 500 HG3 GLU 58 HG1 GLU 58 -9.700 4.481 3.375 501 H GLU 59 HN GLU 59 -9.603 6.175 0.958 502 HA GLU 59 HA GLU 59 -12.005 7.631 1.607 503 HB2 GLU 59 HB2 GLU 59 -9.126 8.295 1.271 504 HB3 GLU 59 HB1 GLU 59 -10.281 9.593 0.993 505 HG2 GLU 59 HG2 GLU 59 -11.197 9.285 3.219 506 HG3 GLU 59 HG1 GLU 59 -10.097 7.937 3.501 507 H LYS 60 HN LYS 60 -9.874 7.301 -1.225 508 HA LYS 60 HA LYS 60 -11.361 9.077 -2.862 509 HB2 LYS 60 HB2 LYS 60 -9.617 6.784 -3.758 510 HB3 LYS 60 HB1 LYS 60 -10.027 8.224 -4.672 511 HG2 LYS 60 HG2 LYS 60 -8.395 9.400 -3.752 512 HG3 LYS 60 HG1 LYS 60 -8.777 8.821 -2.128 513 HD2 LYS 60 HD2 LYS 60 -7.328 7.085 -2.263 514 HD3 LYS 60 HD1 LYS 60 -7.543 6.896 -3.994 515 HE2 LYS 60 HE2 LYS 60 -6.161 8.855 -4.402 516 HE3 LYS 60 HE1 LYS 60 -5.998 9.119 -2.667 517 HZ1 LYS 60 HZ1 LYS 60 -4.048 8.031 -3.538 518 HZ2 LYS 60 HZ2 LYS 60 -4.981 6.776 -4.183 519 HZ3 LYS 60 HZ3 LYS 60 -4.869 6.971 -2.506 520 H GLU 61 HN GLU 61 -11.371 5.573 -2.380 521 HA GLU 61 HA GLU 61 -13.247 4.972 -4.385 522 HB2 GLU 61 HB2 GLU 61 -12.663 3.492 -1.824 523 HB3 GLU 61 HB1 GLU 61 -13.551 2.844 -3.196 524 HG2 GLU 61 HG2 GLU 61 -10.657 3.649 -3.126 525 HG3 GLU 61 HG1 GLU 61 -11.321 2.024 -3.250 526 H GLU 62 HN GLU 62 -13.714 5.426 -0.876 527 HA GLU 62 HA GLU 62 -16.449 4.969 -0.821 528 HB2 GLU 62 HB2 GLU 62 -16.538 6.270 1.228 529 HB3 GLU 62 HB1 GLU 62 -15.104 5.255 1.208 530 HG2 GLU 62 HG2 GLU 62 -13.772 7.180 0.519 531 HG3 GLU 62 HG1 GLU 62 -15.207 8.196 0.611 532 H ARG 63 HN ARG 63 -14.686 7.909 -1.595 533 HA ARG 63 HA ARG 63 -16.865 9.658 -1.802 534 HB2 ARG 63 HB2 ARG 63 -14.084 9.597 -2.851 535 HB3 ARG 63 HB1 ARG 63 -15.204 10.770 -3.526 536 HG2 ARG 63 HG2 ARG 63 -14.610 10.474 -0.590 537 HG3 ARG 63 HG1 ARG 63 -13.837 11.641 -1.659 538 HD2 ARG 63 HD2 ARG 63 -15.999 12.657 -2.137 539 HD3 ARG 63 HD1 ARG 63 -16.793 11.473 -1.099 540 HE ARG 63 HE ARG 63 -15.750 12.504 0.788 541 HH11 ARG 63 HH11 ARG 63 -15.357 14.228 -2.214 542 HH12 ARG 63 HH12 ARG 63 -14.985 15.736 -1.448 543 HH21 ARG 63 HH21 ARG 63 -15.260 14.483 1.806 544 HH22 ARG 63 HH22 ARG 63 -14.929 15.881 0.837 545 H ASP 64 HN ASP 64 -15.150 7.874 -4.351 546 HA ASP 64 HA ASP 64 -17.015 8.636 -6.388 547 HB2 ASP 64 HB2 ASP 64 -14.590 8.113 -6.778 548 HB3 ASP 64 HB1 ASP 64 -14.972 6.427 -6.489 549 H ARG 65 HN ARG 65 -16.134 5.451 -5.102 550 HA ARG 65 HA ARG 65 -18.064 3.890 -6.194 551 HB2 ARG 65 HB2 ARG 65 -16.944 3.729 -3.401 552 HB3 ARG 65 HB1 ARG 65 -17.916 2.464 -4.137 553 HG2 ARG 65 HG2 ARG 65 -16.150 2.503 -6.017 554 HG3 ARG 65 HG1 ARG 65 -15.147 3.360 -4.840 555 HD2 ARG 65 HD2 ARG 65 -15.356 1.540 -3.280 556 HD3 ARG 65 HD1 ARG 65 -16.463 0.693 -4.358 557 HE ARG 65 HE ARG 65 -13.971 1.227 -5.625 558 HH11 ARG 65 HH11 ARG 65 -15.541 -0.893 -3.345 559 HH12 ARG 65 HH12 ARG 65 -14.460 -2.215 -3.634 560 HH21 ARG 65 HH21 ARG 65 -12.543 -0.512 -6.009 561 HH22 ARG 65 HH22 ARG 65 -12.757 -1.998 -5.145 562 H ALA 66 HN ALA 66 -18.518 6.245 -3.661 563 HA ALA 66 HA ALA 66 -20.797 5.504 -2.383 564 HB1 ALA 66 HB1 ALA 66 -19.732 7.569 -1.835 565 HB2 ALA 66 HB2 ALA 66 -21.396 7.927 -2.293 566 HB3 ALA 66 HB3 ALA 66 -20.082 8.236 -3.429 567 H SER 67 HN SER 67 -20.628 6.922 -5.634 568 HA SER 67 HA SER 67 -23.349 5.935 -6.116 569 HB2 SER 67 HB2 SER 67 -22.326 8.680 -6.885 570 HB3 SER 67 HB1 SER 67 -23.874 8.000 -7.383 571 HG SER 67 HG SER 67 -23.585 9.417 -5.331 572 H GLY 68 HN GLY 68 -20.294 7.081 -7.471 573 HA2 GLY 68 HA2 GLY 68 -19.516 5.222 -9.119 574 HA3 GLY 68 HA1 GLY 68 -20.933 5.758 -10.009 575 H TYR 69 HN TYR 69 -20.944 8.351 -10.072 576 HA TYR 69 HA TYR 69 -18.250 9.227 -10.865 577 HB2 TYR 69 HB2 TYR 69 -19.598 8.604 -12.862 578 HB3 TYR 69 HB1 TYR 69 -20.795 9.808 -12.395 579 HD1 TYR 69 HD2 TYR 69 -17.441 9.275 -13.769 580 HD2 TYR 69 HD1 TYR 69 -20.343 12.182 -12.662 581 HE1 TYR 69 HE2 TYR 69 -16.192 10.990 -15.012 582 HE2 TYR 69 HE1 TYR 69 -19.106 13.901 -13.900 583 HH TYR 69 HH TYR 69 -16.590 13.155 -16.070 584 H ARG 70 HN ARG 70 -17.873 10.564 -9.158 585 HA ARG 70 HA ARG 70 -19.374 13.041 -9.101 586 HB2 ARG 70 HB2 ARG 70 -19.475 11.034 -6.914 587 HB3 ARG 70 HB1 ARG 70 -19.309 12.718 -6.445 588 HG2 ARG 70 HG2 ARG 70 -21.318 13.290 -7.644 589 HG3 ARG 70 HG1 ARG 70 -21.488 11.627 -8.210 590 HD2 ARG 70 HD2 ARG 70 -21.663 10.904 -5.846 591 HD3 ARG 70 HD1 ARG 70 -21.605 12.598 -5.364 592 HE ARG 70 HE ARG 70 -23.689 12.009 -7.252 593 HH11 ARG 70 HH11 ARG 70 -22.820 12.076 -3.876 594 HH12 ARG 70 HH12 ARG 70 -24.456 12.232 -3.327 595 HH21 ARG 70 HH21 ARG 70 -25.841 12.215 -6.537 596 HH22 ARG 70 HH22 ARG 70 -26.173 12.311 -4.840 597 H LYS 71 HN LYS 71 -18.359 14.151 -6.816 598 HA LYS 71 HA LYS 71 -15.455 14.132 -7.334 599 HB2 LYS 71 HB2 LYS 71 -16.681 16.210 -8.033 600 HB3 LYS 71 HB1 LYS 71 -17.095 16.469 -6.344 601 HG2 LYS 71 HG2 LYS 71 -14.345 16.103 -6.328 602 HG3 LYS 71 HG1 LYS 71 -14.656 17.078 -7.765 603 HD2 LYS 71 HD2 LYS 71 -15.651 17.708 -4.986 604 HD3 LYS 71 HD1 LYS 71 -14.248 18.451 -5.754 605 HE2 LYS 71 HE2 LYS 71 -15.711 19.306 -7.542 606 HE3 LYS 71 HE1 LYS 71 -17.103 18.604 -6.718 607 HZ1 LYS 71 HZ1 LYS 71 -15.329 20.745 -5.673 608 HZ2 LYS 71 HZ2 LYS 71 -16.583 20.024 -4.797 609 HZ3 LYS 71 HZ3 LYS 71 -16.932 20.925 -6.185 610 H1 ALA 15 HT1 ALA 15 -7.435 23.702 -3.940 611 H2 ALA 15 HT2 ALA 15 -7.699 23.089 -5.494 612 H3 ALA 15 HT3 ALA 15 -6.129 23.474 -4.993 613 HA ALA 15 HA ALA 15 -7.837 21.333 -3.867 614 HB1 ALA 15 HB1 ALA 15 -6.998 20.839 -6.119 615 HB2 ALA 15 HB2 ALA 15 -6.276 19.787 -4.902 616 HB3 ALA 15 HB3 ALA 15 -5.351 21.135 -5.563 617 HA PRO 16 HA PRO 16 -5.431 21.528 -0.168 618 HB2 PRO 16 HB2 PRO 16 -5.314 18.561 -0.310 619 HB3 PRO 16 HB1 PRO 16 -5.895 19.604 0.992 620 HG2 PRO 16 HG2 PRO 16 -7.611 18.268 -0.543 621 HG3 PRO 16 HG1 PRO 16 -7.965 19.923 -0.009 622 HD2 PRO 16 HD2 PRO 16 -7.019 18.953 -2.676 623 HD3 PRO 16 HD1 PRO 16 -8.192 20.230 -2.291 624 H ARG 17 HN ARG 17 -3.333 21.929 0.091 625 HA ARG 17 HA ARG 17 -1.407 20.803 -1.761 626 HB2 ARG 17 HB2 ARG 17 -1.085 22.836 0.454 627 HB3 ARG 17 HB1 ARG 17 0.182 22.369 -0.673 628 HG2 ARG 17 HG2 ARG 17 -2.431 23.652 -1.442 629 HG3 ARG 17 HG1 ARG 17 -0.889 24.493 -1.276 630 HD2 ARG 17 HD2 ARG 17 0.065 23.168 -3.060 631 HD3 ARG 17 HD1 ARG 17 -1.413 22.215 -3.182 632 HE ARG 17 HE ARG 17 -1.789 25.044 -3.576 633 HH11 ARG 17 HH11 ARG 17 -1.042 21.998 -5.096 634 HH12 ARG 17 HH12 ARG 17 -1.565 22.507 -6.666 635 HH21 ARG 17 HH21 ARG 17 -2.481 25.721 -5.638 636 HH22 ARG 17 HH22 ARG 17 -2.383 24.622 -6.974 637 H LYS 18 HN LYS 18 -1.276 18.643 -1.127 638 HA LYS 18 HA LYS 18 -0.102 18.171 1.534 639 HB2 LYS 18 HB2 LYS 18 -1.628 16.263 -0.246 640 HB3 LYS 18 HB1 LYS 18 -0.916 15.847 1.306 641 HG2 LYS 18 HG2 LYS 18 -2.386 17.500 2.393 642 HG3 LYS 18 HG1 LYS 18 -3.136 17.825 0.831 643 HD2 LYS 18 HD2 LYS 18 -3.025 15.042 1.948 644 HD3 LYS 18 HD1 LYS 18 -4.292 16.169 2.436 645 HE2 LYS 18 HE2 LYS 18 -5.153 14.862 0.643 646 HE3 LYS 18 HE1 LYS 18 -4.833 16.476 0.011 647 HZ1 LYS 18 HZ1 LYS 18 -2.999 14.161 -0.296 648 HZ2 LYS 18 HZ2 LYS 18 -2.829 15.687 -1.005 649 HZ3 LYS 18 HZ3 LYS 18 -4.098 14.675 -1.476 650 H GLN 19 HN GLN 19 2.052 18.268 1.205 651 HA GLN 19 HA GLN 19 3.214 16.247 -0.554 652 HB2 GLN 19 HB2 GLN 19 3.098 18.462 -1.774 653 HB3 GLN 19 HB1 GLN 19 4.214 19.095 -0.573 654 HG2 GLN 19 HG2 GLN 19 5.436 18.478 -2.535 655 HG3 GLN 19 HG1 GLN 19 5.849 17.369 -1.228 656 HE21 GLN 19 HE21 GLN 19 2.845 17.212 -2.998 657 HE22 GLN 19 HE22 GLN 19 3.179 15.731 -3.823 658 H LEU 20 HN LEU 20 3.193 18.067 2.302 659 HA LEU 20 HA LEU 20 5.903 17.241 3.039 660 HB2 LEU 20 HB2 LEU 20 5.290 18.640 5.155 661 HB3 LEU 20 HB1 LEU 20 5.752 19.437 3.669 662 HG LEU 20 HG LEU 20 3.798 20.427 4.955 663 HD11 LEU 20 HD11 LEU 20 3.369 19.672 2.071 664 HD12 LEU 20 HD12 LEU 20 4.302 21.046 2.662 665 HD13 LEU 20 HD13 LEU 20 2.561 20.982 2.930 666 HD21 LEU 20 HD21 LEU 20 2.659 18.331 5.493 667 HD22 LEU 20 HD22 LEU 20 2.347 18.061 3.778 668 HD23 LEU 20 HD23 LEU 20 1.609 19.433 4.602 669 H ALA 21 HN ALA 21 3.662 15.376 2.808 670 HA ALA 21 HA ALA 21 3.913 14.170 5.452 671 HB1 ALA 21 HB1 ALA 21 1.535 13.705 5.637 672 HB2 ALA 21 HB2 ALA 21 1.232 14.556 4.122 673 HB3 ALA 21 HB3 ALA 21 1.812 15.444 5.531 674 H THR 22 HN THR 22 5.262 13.418 3.206 675 HA THR 22 HA THR 22 4.020 11.505 1.575 676 HB THR 22 HB THR 22 6.289 10.687 1.076 677 HG1 THR 22 HG1 THR 22 6.900 12.233 3.357 678 HG21 THR 22 HG21 THR 22 5.496 12.672 -0.085 679 HG22 THR 22 HG22 THR 22 7.223 12.813 0.241 680 HG23 THR 22 HG23 THR 22 6.063 13.695 1.234 681 H LYS 23 HN LYS 23 3.147 9.634 2.119 682 HA LYS 23 HA LYS 23 3.713 8.373 4.644 683 HB2 LYS 23 HB2 LYS 23 2.077 7.172 2.410 684 HB3 LYS 23 HB1 LYS 23 1.924 6.914 4.142 685 HG2 LYS 23 HG2 LYS 23 0.760 8.847 4.480 686 HG3 LYS 23 HG1 LYS 23 1.500 9.663 3.100 687 HD2 LYS 23 HD2 LYS 23 0.200 8.090 1.619 688 HD3 LYS 23 HD1 LYS 23 -0.666 7.572 3.066 689 HE2 LYS 23 HE2 LYS 23 -1.905 9.289 1.832 690 HE3 LYS 23 HE1 LYS 23 -1.446 9.842 3.441 691 HZ1 LYS 23 HZ1 LYS 23 -1.070 11.544 1.764 692 HZ2 LYS 23 HZ2 LYS 23 -0.027 10.515 0.919 693 HZ3 LYS 23 HZ3 LYS 23 0.393 11.060 2.464 694 H ALA 24 HN ALA 24 4.203 5.953 4.693 695 HA ALA 24 HA ALA 24 5.878 5.077 2.466 696 HB1 ALA 24 HB1 ALA 24 6.913 5.388 5.277 697 HB2 ALA 24 HB2 ALA 24 7.441 6.274 3.847 698 HB3 ALA 24 HB3 ALA 24 7.759 4.544 3.981 699 H ALA 25 HN ALA 25 6.387 2.858 2.454 700 HA ALA 25 HA ALA 25 5.184 1.133 4.466 701 HB1 ALA 25 HB1 ALA 25 3.901 -0.161 2.872 702 HB2 ALA 25 HB2 ALA 25 4.429 0.886 1.556 703 HB3 ALA 25 HB3 ALA 25 3.383 1.524 2.825 704 H ARG 26 HN ARG 26 5.800 -1.163 4.124 705 HA ARG 26 HA ARG 26 8.527 -1.280 3.082 706 HB2 ARG 26 HB2 ARG 26 8.822 -2.250 5.081 707 HB3 ARG 26 HB1 ARG 26 7.099 -2.494 5.306 708 HG2 ARG 26 HG2 ARG 26 8.617 -4.312 3.490 709 HG3 ARG 26 HG1 ARG 26 8.719 -4.525 5.238 710 HD2 ARG 26 HD2 ARG 26 6.253 -4.652 5.331 711 HD3 ARG 26 HD1 ARG 26 6.204 -4.533 3.573 712 HE ARG 26 HE ARG 26 7.806 -6.700 4.635 713 HH11 ARG 26 HH11 ARG 26 4.703 -5.691 3.413 714 HH12 ARG 26 HH12 ARG 26 4.211 -7.294 2.979 715 HH21 ARG 26 HH21 ARG 26 7.167 -8.811 4.065 716 HH22 ARG 26 HH22 ARG 26 5.611 -9.067 3.348 717 H MLY 27 HN MLY 27 9.258 -2.985 1.754 718 HA MLY 27 HA MLY 27 7.131 -4.358 0.240 719 HB2 MLY 27 HB2 MLY 27 8.379 -2.499 -0.979 720 HB3 MLY 27 HB1 MLY 27 9.802 -3.526 -0.894 721 HG2 MLY 27 HG2 MLY 27 8.157 -5.289 -1.980 722 HG3 MLY 27 HG1 MLY 27 7.339 -3.824 -2.526 723 HD2 MLY 27 HD2 MLY 27 10.246 -4.498 -2.986 724 HD3 MLY 27 HD1 MLY 27 8.957 -4.637 -4.181 725 HE2 MLY 27 HE2 MLY 27 8.551 -2.199 -3.951 726 HE3 MLY 27 HE1 MLY 27 9.940 -2.105 -2.867 727 HH11 MLY 27 HH11 MLY 27 10.926 -1.018 -6.272 728 HH12 MLY 27 HH12 MLY 27 9.247 -0.959 -5.739 729 HH13 MLY 27 HH13 MLY 27 10.533 -0.396 -4.668 730 HH21 MLY 27 HH21 MLY 27 11.898 -3.696 -3.982 731 HH22 MLY 27 HH22 MLY 27 12.457 -2.664 -5.297 732 HH23 MLY 27 HH23 MLY 27 12.095 -1.962 -3.719 733 HZ MLY 27 HZ MLY 27 10.139 -3.197 -5.581 734 H SER 28 HN SER 28 8.044 -5.629 2.414 735 HA SER 28 HA SER 28 8.937 -7.581 3.163 736 HB2 SER 28 HB2 SER 28 9.275 -8.194 0.215 737 HB3 SER 28 HB1 SER 28 9.335 -9.368 1.529 738 HG SER 28 HG SER 28 7.194 -9.127 1.863 739 H ALA 29 HN ALA 29 11.003 -9.129 2.657 740 HA ALA 29 HA ALA 29 13.303 -7.332 2.263 741 HB1 ALA 29 HB1 ALA 29 12.972 -7.732 4.648 742 HB2 ALA 29 HB2 ALA 29 14.469 -8.469 4.081 743 HB3 ALA 29 HB3 ALA 29 13.050 -9.472 4.373 744 HA PRO 30 HA PRO 30 13.650 -11.064 -0.506 745 HB2 PRO 30 HB2 PRO 30 14.484 -9.680 -2.690 746 HB3 PRO 30 HB1 PRO 30 12.779 -9.928 -2.301 747 HG2 PRO 30 HG2 PRO 30 14.511 -7.538 -1.791 748 HG3 PRO 30 HG1 PRO 30 12.845 -7.604 -2.399 749 HD2 PRO 30 HD2 PRO 30 13.423 -7.028 0.177 750 HD3 PRO 30 HD1 PRO 30 11.955 -7.910 -0.292 Start of MODEL 6 1 H MET 1 HT1 MET 1 21.871 -16.890 7.207 2 HA MET 1 HA MET 1 21.866 -14.499 6.972 3 HB2 MET 1 HB2 MET 1 22.673 -16.176 5.131 4 HB3 MET 1 HB1 MET 1 21.266 -15.594 4.241 5 HG2 MET 1 HG2 MET 1 23.324 -14.413 3.629 6 HG3 MET 1 HG1 MET 1 22.102 -13.338 4.305 7 HE1 MET 1 HE1 MET 1 24.351 -15.833 6.349 8 HE2 MET 1 HE2 MET 1 25.753 -14.825 6.708 9 HE3 MET 1 HE3 MET 1 25.423 -15.316 5.047 10 H GLU 2 HN GLU 2 19.341 -15.886 4.897 11 HA GLU 2 HA GLU 2 17.939 -13.338 4.884 12 HB2 GLU 2 HB2 GLU 2 17.177 -15.868 3.432 13 HB3 GLU 2 HB1 GLU 2 16.671 -14.223 3.066 14 HG2 GLU 2 HG2 GLU 2 18.887 -13.642 2.354 15 HG3 GLU 2 HG1 GLU 2 19.507 -15.211 2.874 16 H LEU 3 HN LEU 3 15.782 -13.088 5.530 17 HA LEU 3 HA LEU 3 14.017 -13.328 6.944 18 HB2 LEU 3 HB2 LEU 3 13.981 -15.479 5.310 19 HB3 LEU 3 HB1 LEU 3 14.112 -16.285 6.860 20 HG LEU 3 HG LEU 3 11.787 -16.128 6.176 21 HD11 LEU 3 HD11 LEU 3 10.854 -15.073 8.162 22 HD12 LEU 3 HD12 LEU 3 12.391 -14.263 8.466 23 HD13 LEU 3 HD13 LEU 3 12.286 -16.021 8.563 24 HD21 LEU 3 HD21 LEU 3 10.668 -13.980 5.934 25 HD22 LEU 3 HD22 LEU 3 11.975 -14.141 4.761 26 HD23 LEU 3 HD23 LEU 3 12.196 -13.141 6.196 27 H SER 4 HN SER 4 16.308 -12.911 8.276 28 HA SER 4 HA SER 4 15.770 -14.005 10.837 29 HB2 SER 4 HB2 SER 4 17.904 -15.205 11.175 30 HB3 SER 4 HB1 SER 4 16.921 -15.965 9.924 31 HG SER 4 HG SER 4 19.392 -15.190 9.696 32 H ALA 5 HN ALA 5 17.431 -11.973 8.683 33 HA ALA 5 HA ALA 5 18.431 -10.374 10.932 34 HB1 ALA 5 HB1 ALA 5 19.944 -10.912 8.384 35 HB2 ALA 5 HB2 ALA 5 20.341 -11.544 9.981 36 HB3 ALA 5 HB3 ALA 5 20.448 -9.812 9.667 37 H ILE 6 HN ILE 6 18.093 -10.246 7.407 38 HA ILE 6 HA ILE 6 17.734 -7.477 7.216 39 HB ILE 6 HB ILE 6 16.662 -9.598 5.353 40 HG12 ILE 6 HG12 ILE 6 19.088 -9.800 5.733 41 HG13 ILE 6 HG11 ILE 6 18.729 -9.286 4.090 42 HG21 ILE 6 HG21 ILE 6 15.611 -7.470 4.930 43 HG22 ILE 6 HG22 ILE 6 16.781 -7.805 3.651 44 HG23 ILE 6 HG23 ILE 6 17.179 -6.658 4.930 45 HD11 ILE 6 HD11 ILE 6 20.634 -8.088 5.019 46 HD12 ILE 6 HD12 ILE 6 19.622 -7.488 6.332 47 HD13 ILE 6 HD13 ILE 6 19.296 -6.993 4.671 48 H GLY 7 HN GLY 7 15.172 -9.823 6.467 49 HA2 GLY 7 HA2 GLY 7 12.960 -9.882 7.141 50 HA3 GLY 7 HA1 GLY 7 13.302 -8.588 8.275 51 H GLU 8 HN GLU 8 13.642 -6.418 7.268 52 HA GLU 8 HA GLU 8 12.005 -6.054 4.855 53 HB2 GLU 8 HB2 GLU 8 11.865 -4.101 7.123 54 HB3 GLU 8 HB1 GLU 8 10.703 -4.389 5.834 55 HG2 GLU 8 HG2 GLU 8 10.014 -6.444 6.823 56 HG3 GLU 8 HG1 GLU 8 11.301 -6.357 8.015 57 H GLN 9 HN GLN 9 12.117 -3.368 4.590 58 HA GLN 9 HA GLN 9 14.776 -2.339 4.947 59 HB2 GLN 9 HB2 GLN 9 15.202 -2.009 2.518 60 HB3 GLN 9 HB1 GLN 9 15.200 -3.699 2.999 61 HG2 GLN 9 HG2 GLN 9 12.823 -3.798 2.228 62 HG3 GLN 9 HG1 GLN 9 13.069 -2.209 1.517 63 HE21 GLN 9 HE21 GLN 9 12.679 -3.069 -0.550 64 HE22 GLN 9 HE22 GLN 9 13.870 -4.009 -1.376 65 H VAL 10 HN VAL 10 11.581 -2.090 3.549 66 HA VAL 10 HA VAL 10 10.103 -0.380 3.378 67 HB VAL 10 HB VAL 10 11.945 1.134 5.220 68 HG11 VAL 10 HG11 VAL 10 9.003 1.423 4.642 69 HG12 VAL 10 HG12 VAL 10 10.282 2.555 4.205 70 HG13 VAL 10 HG13 VAL 10 9.879 2.292 5.902 71 HG21 VAL 10 HG21 VAL 10 9.722 -0.809 5.882 72 HG22 VAL 10 HG22 VAL 10 10.518 0.255 7.045 73 HG23 VAL 10 HG23 VAL 10 11.444 -1.001 6.225 74 H PHE 11 HN PHE 11 9.672 1.445 2.180 75 HA PHE 11 HA PHE 11 11.911 2.963 1.070 76 HB2 PHE 11 HB2 PHE 11 9.852 1.452 -0.536 77 HB3 PHE 11 HB1 PHE 11 10.741 2.812 -1.206 78 HD1 PHE 11 HD2 PHE 11 13.443 2.388 -0.175 79 HD2 PHE 11 HD1 PHE 11 10.589 -0.405 -1.636 80 HE1 PHE 11 HE2 PHE 11 15.269 0.870 -0.823 81 HE2 PHE 11 HE1 PHE 11 12.406 -1.931 -2.288 82 HZ PHE 11 HZ PHE 11 14.751 -1.293 -1.882 83 H ALA 12 HN ALA 12 9.847 4.002 -0.939 84 HA ALA 12 HA ALA 12 8.276 5.671 0.909 85 HB1 ALA 12 HB1 ALA 12 8.604 7.512 -0.807 86 HB2 ALA 12 HB2 ALA 12 9.890 6.514 -1.484 87 HB3 ALA 12 HB3 ALA 12 10.006 7.095 0.176 88 H VAL 13 HN VAL 13 6.181 5.240 0.592 89 HA VAL 13 HA VAL 13 5.270 4.191 -1.964 90 HB VAL 13 HB VAL 13 3.513 4.777 0.414 91 HG11 VAL 13 HG11 VAL 13 3.100 2.470 -1.378 92 HG12 VAL 13 HG12 VAL 13 2.805 4.070 -2.063 93 HG13 VAL 13 HG13 VAL 13 1.925 3.549 -0.626 94 HG21 VAL 13 HG21 VAL 13 3.850 2.233 0.777 95 HG22 VAL 13 HG22 VAL 13 4.998 3.382 1.464 96 HG23 VAL 13 HG23 VAL 13 5.396 2.514 -0.017 97 H GLU 14 HN GLU 14 4.465 5.435 -3.525 98 HA GLU 14 HA GLU 14 3.981 8.196 -3.246 99 HB2 GLU 14 HB2 GLU 14 4.401 7.094 -5.434 100 HB3 GLU 14 HB1 GLU 14 2.846 6.277 -5.308 101 HG2 GLU 14 HG2 GLU 14 1.691 8.402 -5.402 102 HG3 GLU 14 HG1 GLU 14 3.229 9.263 -5.433 103 H SER 15 HN SER 15 1.994 5.332 -3.175 104 HA SER 15 HA SER 15 0.233 5.936 -1.210 105 HB2 SER 15 HB2 SER 15 -0.672 7.157 -3.791 106 HB3 SER 15 HB1 SER 15 -1.847 6.500 -2.658 107 HG SER 15 HG SER 15 -0.694 7.878 -1.059 108 H ILE 16 HN ILE 16 -2.118 4.818 -1.821 109 HA ILE 16 HA ILE 16 -1.315 2.158 -2.708 110 HB ILE 16 HB ILE 16 -3.974 2.993 -1.556 111 HG12 ILE 16 HG12 ILE 16 -1.554 1.825 -0.171 112 HG13 ILE 16 HG11 ILE 16 -2.208 3.445 0.063 113 HG21 ILE 16 HG21 ILE 16 -4.244 0.605 -1.090 114 HG22 ILE 16 HG22 ILE 16 -2.687 0.279 -1.861 115 HG23 ILE 16 HG23 ILE 16 -4.031 0.904 -2.818 116 HD11 ILE 16 HD11 ILE 16 -2.761 1.644 1.782 117 HD12 ILE 16 HD12 ILE 16 -3.878 1.019 0.584 118 HD13 ILE 16 HD13 ILE 16 -4.070 2.658 1.201 119 H ARG 17 HN ARG 17 -2.511 0.975 -4.250 120 HA ARG 17 HA ARG 17 -3.897 2.653 -6.233 121 HB2 ARG 17 HB2 ARG 17 -1.651 1.066 -6.575 122 HB3 ARG 17 HB1 ARG 17 -2.959 0.085 -7.173 123 HG2 ARG 17 HG2 ARG 17 -3.524 1.601 -8.804 124 HG3 ARG 17 HG1 ARG 17 -2.587 2.897 -8.072 125 HD2 ARG 17 HD2 ARG 17 -0.537 1.592 -8.542 126 HD3 ARG 17 HD1 ARG 17 -1.528 0.394 -9.371 127 HE ARG 17 HE ARG 17 -1.205 3.188 -10.264 128 HH11 ARG 17 HH11 ARG 17 -1.734 -0.196 -10.911 129 HH12 ARG 17 HH12 ARG 17 -1.758 0.006 -12.631 130 HH21 ARG 17 HH21 ARG 17 -1.241 3.462 -12.528 131 HH22 ARG 17 HH22 ARG 17 -1.477 2.083 -13.549 132 H LYS 18 HN LYS 18 -3.754 -0.591 -4.815 133 HA LYS 18 HA LYS 18 -6.642 -0.846 -5.279 134 HB2 LYS 18 HB2 LYS 18 -4.647 -3.017 -5.847 135 HB3 LYS 18 HB1 LYS 18 -6.379 -3.094 -6.089 136 HG2 LYS 18 HG2 LYS 18 -6.310 -1.606 -7.889 137 HG3 LYS 18 HG1 LYS 18 -4.680 -1.069 -7.489 138 HD2 LYS 18 HD2 LYS 18 -3.833 -3.297 -8.031 139 HD3 LYS 18 HD1 LYS 18 -5.460 -3.799 -8.468 140 HE2 LYS 18 HE2 LYS 18 -4.074 -1.484 -9.756 141 HE3 LYS 18 HE1 LYS 18 -3.953 -3.125 -10.383 142 HZ1 LYS 18 HZ1 LYS 18 -6.356 -3.161 -10.642 143 HZ2 LYS 18 HZ2 LYS 18 -5.687 -1.868 -11.504 144 HZ3 LYS 18 HZ3 LYS 18 -6.471 -1.586 -10.031 145 H LYS 19 HN LYS 19 -7.447 -2.949 -4.181 146 HA LYS 19 HA LYS 19 -6.000 -3.678 -1.773 147 HB2 LYS 19 HB2 LYS 19 -7.204 -1.841 -0.860 148 HB3 LYS 19 HB1 LYS 19 -8.680 -2.305 -1.690 149 HG2 LYS 19 HG2 LYS 19 -8.731 -4.367 -0.312 150 HG3 LYS 19 HG1 LYS 19 -7.337 -3.759 0.575 151 HD2 LYS 19 HD2 LYS 19 -8.668 -1.780 1.212 152 HD3 LYS 19 HD1 LYS 19 -10.065 -2.489 0.401 153 HE2 LYS 19 HE2 LYS 19 -9.706 -4.511 1.886 154 HE3 LYS 19 HE1 LYS 19 -8.595 -3.517 2.813 155 HZ1 LYS 19 HZ1 LYS 19 -10.788 -3.484 3.794 156 HZ2 LYS 19 HZ2 LYS 19 -11.469 -2.931 2.348 157 HZ3 LYS 19 HZ3 LYS 19 -10.399 -1.944 3.209 158 H ARG 20 HN ARG 20 -6.020 -5.833 -1.919 159 HA ARG 20 HA ARG 20 -8.569 -7.138 -2.595 160 HB2 ARG 20 HB2 ARG 20 -7.540 -8.601 -3.989 161 HB3 ARG 20 HB1 ARG 20 -6.323 -7.339 -4.091 162 HG2 ARG 20 HG2 ARG 20 -5.361 -8.627 -1.994 163 HG3 ARG 20 HG1 ARG 20 -6.227 -9.964 -2.727 164 HD2 ARG 20 HD2 ARG 20 -5.070 -9.444 -4.879 165 HD3 ARG 20 HD1 ARG 20 -4.088 -8.274 -4.000 166 HE ARG 20 HE ARG 20 -3.902 -10.725 -2.678 167 HH11 ARG 20 HH11 ARG 20 -2.987 -9.296 -5.722 168 HH12 ARG 20 HH12 ARG 20 -1.613 -10.328 -5.940 169 HH21 ARG 20 HH21 ARG 20 -2.096 -12.089 -2.958 170 HH22 ARG 20 HH22 ARG 20 -1.108 -11.917 -4.370 171 H VAL 21 HN VAL 21 -9.197 -8.870 -1.338 172 HA VAL 21 HA VAL 21 -7.584 -9.358 1.073 173 HB VAL 21 HB VAL 21 -10.580 -8.987 0.927 174 HG11 VAL 21 HG11 VAL 21 -8.982 -9.674 3.383 175 HG12 VAL 21 HG12 VAL 21 -9.826 -10.893 2.421 176 HG13 VAL 21 HG13 VAL 21 -10.738 -9.606 3.209 177 HG21 VAL 21 HG21 VAL 21 -8.711 -7.572 2.775 178 HG22 VAL 21 HG22 VAL 21 -10.280 -7.050 2.149 179 HG23 VAL 21 HG23 VAL 21 -8.861 -7.032 1.098 180 H ARG 22 HN ARG 22 -7.767 -11.466 1.997 181 HA ARG 22 HA ARG 22 -9.085 -13.496 0.332 182 HB2 ARG 22 HB2 ARG 22 -6.585 -13.298 -0.138 183 HB3 ARG 22 HB1 ARG 22 -6.336 -13.896 1.496 184 HG2 ARG 22 HG2 ARG 22 -7.595 -15.925 0.930 185 HG3 ARG 22 HG1 ARG 22 -7.778 -15.326 -0.716 186 HD2 ARG 22 HD2 ARG 22 -5.423 -15.402 -1.084 187 HD3 ARG 22 HD1 ARG 22 -5.133 -15.765 0.613 188 HE ARG 22 HE ARG 22 -6.761 -17.689 -0.805 189 HH11 ARG 22 HH11 ARG 22 -3.558 -16.789 0.238 190 HH12 ARG 22 HH12 ARG 22 -2.926 -18.396 0.108 191 HH21 ARG 22 HH21 ARG 22 -5.935 -19.806 -0.978 192 HH22 ARG 22 HH22 ARG 22 -4.276 -20.110 -0.584 193 H LYS 23 HN LYS 23 -10.675 -14.024 1.770 194 HA LYS 23 HA LYS 23 -11.666 -14.916 3.616 195 HB2 LYS 23 HB2 LYS 23 -8.876 -15.944 4.093 196 HB3 LYS 23 HB1 LYS 23 -10.271 -16.421 5.050 197 HG2 LYS 23 HG2 LYS 23 -11.174 -17.676 3.366 198 HG3 LYS 23 HG1 LYS 23 -10.403 -16.725 2.101 199 HD2 LYS 23 HD2 LYS 23 -9.380 -18.906 2.188 200 HD3 LYS 23 HD1 LYS 23 -8.227 -17.690 2.743 201 HE2 LYS 23 HE2 LYS 23 -8.084 -19.557 4.224 202 HE3 LYS 23 HE1 LYS 23 -8.885 -18.239 5.077 203 HZ1 LYS 23 HZ1 LYS 23 -11.001 -19.276 4.701 204 HZ2 LYS 23 HZ2 LYS 23 -9.966 -20.401 5.425 205 HZ3 LYS 23 HZ3 LYS 23 -10.296 -20.498 3.768 206 H GLY 24 HN GLY 24 -9.641 -12.444 3.643 207 HA2 GLY 24 HA2 GLY 24 -10.385 -10.802 5.441 208 HA3 GLY 24 HA1 GLY 24 -9.729 -12.002 6.543 209 H LYS 25 HN LYS 25 -7.620 -12.589 4.439 210 HA LYS 25 HA LYS 25 -5.625 -10.872 5.459 211 HB2 LYS 25 HB2 LYS 25 -5.523 -12.615 3.000 212 HB3 LYS 25 HB1 LYS 25 -4.139 -11.941 3.842 213 HG2 LYS 25 HG2 LYS 25 -4.553 -13.312 5.754 214 HG3 LYS 25 HG1 LYS 25 -6.090 -13.860 5.087 215 HD2 LYS 25 HD2 LYS 25 -4.571 -15.611 4.674 216 HD3 LYS 25 HD1 LYS 25 -4.761 -14.764 3.137 217 HE2 LYS 25 HE2 LYS 25 -2.428 -15.239 3.486 218 HE3 LYS 25 HE1 LYS 25 -2.694 -13.503 3.624 219 HZ1 LYS 25 HZ1 LYS 25 -2.441 -15.385 5.906 220 HZ2 LYS 25 HZ2 LYS 25 -2.659 -13.712 6.022 221 HZ3 LYS 25 HZ3 LYS 25 -1.231 -14.333 5.365 222 H VAL 26 HN VAL 26 -5.779 -8.745 5.036 223 HA VAL 26 HA VAL 26 -6.685 -7.803 2.473 224 HB VAL 26 HB VAL 26 -5.522 -6.218 4.755 225 HG11 VAL 26 HG11 VAL 26 -7.242 -5.332 2.443 226 HG12 VAL 26 HG12 VAL 26 -5.501 -5.074 2.564 227 HG13 VAL 26 HG13 VAL 26 -6.588 -4.306 3.721 228 HG21 VAL 26 HG21 VAL 26 -8.421 -6.386 4.138 229 HG22 VAL 26 HG22 VAL 26 -7.628 -5.954 5.651 230 HG23 VAL 26 HG23 VAL 26 -7.665 -7.637 5.121 231 H GLU 27 HN GLU 27 -5.528 -6.717 0.959 232 HA GLU 27 HA GLU 27 -2.638 -6.498 1.238 233 HB2 GLU 27 HB2 GLU 27 -4.073 -7.958 -0.973 234 HB3 GLU 27 HB1 GLU 27 -2.406 -7.458 -1.088 235 HG2 GLU 27 HG2 GLU 27 -1.867 -8.845 0.861 236 HG3 GLU 27 HG1 GLU 27 -3.549 -9.352 0.937 237 H TYR 28 HN TYR 28 -1.816 -4.723 0.134 238 HA TYR 28 HA TYR 28 -3.807 -3.122 -1.337 239 HB2 TYR 28 HB2 TYR 28 -1.742 -2.277 0.673 240 HB3 TYR 28 HB1 TYR 28 -2.479 -1.127 -0.428 241 HD1 TYR 28 HD1 TYR 28 -5.151 -1.257 -0.454 242 HD2 TYR 28 HD2 TYR 28 -2.686 -2.518 2.775 243 HE1 TYR 28 HE1 TYR 28 -7.035 -0.999 1.087 244 HE2 TYR 28 HE2 TYR 28 -4.567 -2.245 4.321 245 HH TYR 28 HH TYR 28 -7.768 -1.818 3.267 246 H LEU 29 HN LEU 29 -3.280 -2.875 -3.421 247 HA LEU 29 HA LEU 29 -0.660 -3.403 -4.408 248 HB2 LEU 29 HB2 LEU 29 -2.899 -3.613 -5.676 249 HB3 LEU 29 HB1 LEU 29 -2.813 -1.883 -5.878 250 HG LEU 29 HG LEU 29 -1.989 -3.441 -7.785 251 HD11 LEU 29 HD11 LEU 29 -1.826 -1.021 -7.739 252 HD12 LEU 29 HD12 LEU 29 -0.435 -1.767 -8.511 253 HD13 LEU 29 HD13 LEU 29 -0.306 -1.138 -6.867 254 HD21 LEU 29 HD21 LEU 29 0.482 -3.292 -6.113 255 HD22 LEU 29 HD22 LEU 29 0.326 -4.041 -7.700 256 HD23 LEU 29 HD23 LEU 29 -0.485 -4.751 -6.300 257 H VAL 30 HN VAL 30 0.643 -2.018 -3.188 258 HA VAL 30 HA VAL 30 0.235 0.803 -3.097 259 HB VAL 30 HB VAL 30 2.634 0.791 -2.223 260 HG11 VAL 30 HG11 VAL 30 1.967 -0.036 -0.051 261 HG12 VAL 30 HG12 VAL 30 0.606 -0.901 -0.771 262 HG13 VAL 30 HG13 VAL 30 0.639 0.864 -0.786 263 HG21 VAL 30 HG21 VAL 30 3.509 -1.371 -1.499 264 HG22 VAL 30 HG22 VAL 30 3.343 -1.301 -3.253 265 HG23 VAL 30 HG23 VAL 30 2.159 -2.185 -2.290 266 H LYS 31 HN LYS 31 0.896 2.351 -4.443 267 HA LYS 31 HA LYS 31 2.605 1.588 -6.681 268 HB2 LYS 31 HB2 LYS 31 1.944 3.774 -7.665 269 HB3 LYS 31 HB1 LYS 31 0.581 2.710 -7.357 270 HG2 LYS 31 HG2 LYS 31 -0.035 3.977 -5.412 271 HG3 LYS 31 HG1 LYS 31 1.412 4.977 -5.562 272 HD2 LYS 31 HD2 LYS 31 0.621 5.821 -7.709 273 HD3 LYS 31 HD1 LYS 31 -0.811 4.797 -7.595 274 HE2 LYS 31 HE2 LYS 31 -0.090 6.953 -5.616 275 HE3 LYS 31 HE1 LYS 31 -1.210 7.167 -6.961 276 HZ1 LYS 31 HZ1 LYS 31 -1.530 5.229 -4.734 277 HZ2 LYS 31 HZ2 LYS 31 -2.603 5.426 -6.026 278 HZ3 LYS 31 HZ3 LYS 31 -2.384 6.680 -4.913 279 H TRP 32 HN TRP 32 4.649 1.775 -6.323 280 HA TRP 32 HA TRP 32 5.801 3.363 -4.273 281 HB2 TRP 32 HB2 TRP 32 7.052 1.885 -6.597 282 HB3 TRP 32 HB1 TRP 32 7.936 2.528 -5.219 283 HD1 TRP 32 HD1 TRP 32 6.276 -0.544 -6.377 284 HE1 TRP 32 HE1 TRP 32 5.973 -2.209 -4.437 285 HE3 TRP 32 HE3 TRP 32 7.317 2.571 -2.477 286 HZ2 TRP 32 HZ2 TRP 32 6.153 -2.195 -1.619 287 HZ3 TRP 32 HZ3 TRP 32 7.237 1.676 -0.189 288 HH2 TRP 32 HH2 TRP 32 6.658 -0.657 0.227 289 H LYS 33 HN LYS 33 6.668 5.341 -4.321 290 HA LYS 33 HA LYS 33 6.117 7.133 -6.412 291 HB2 LYS 33 HB2 LYS 33 6.395 7.836 -4.082 292 HB3 LYS 33 HB1 LYS 33 8.099 7.403 -4.149 293 HG2 LYS 33 HG2 LYS 33 8.669 9.264 -5.291 294 HG3 LYS 33 HG1 LYS 33 7.158 9.300 -6.198 295 HD2 LYS 33 HD2 LYS 33 7.219 11.201 -4.736 296 HD3 LYS 33 HD1 LYS 33 6.005 10.063 -4.144 297 HE2 LYS 33 HE2 LYS 33 7.246 10.853 -2.262 298 HE3 LYS 33 HE1 LYS 33 7.712 9.179 -2.563 299 HZ1 LYS 33 HZ1 LYS 33 9.693 9.981 -3.704 300 HZ2 LYS 33 HZ2 LYS 33 9.642 10.538 -2.108 301 HZ3 LYS 33 HZ3 LYS 33 9.251 11.582 -3.380 302 H GLY 34 HN GLY 34 9.247 5.782 -5.350 303 HA2 GLY 34 HA2 GLY 34 10.627 6.884 -7.621 304 HA3 GLY 34 HA1 GLY 34 11.303 5.806 -6.410 305 H TRP 35 HN TRP 35 8.392 4.782 -7.948 306 HA TRP 35 HA TRP 35 9.837 3.242 -9.966 307 HB2 TRP 35 HB2 TRP 35 8.265 2.044 -7.705 308 HB3 TRP 35 HB1 TRP 35 8.516 1.175 -9.206 309 HD1 TRP 35 HD1 TRP 35 10.348 2.333 -6.068 310 HE1 TRP 35 HE1 TRP 35 12.613 1.121 -5.938 311 HE3 TRP 35 HE3 TRP 35 10.342 0.101 -10.669 312 HZ2 TRP 35 HZ2 TRP 35 14.188 -0.562 -7.565 313 HZ3 TRP 35 HZ3 TRP 35 12.265 -1.296 -11.303 314 HH2 TRP 35 HH2 TRP 35 14.147 -1.619 -9.782 315 HA PRO 36 HA PRO 36 6.199 3.970 -12.359 316 HB2 PRO 36 HB2 PRO 36 6.547 1.390 -13.688 317 HB3 PRO 36 HB1 PRO 36 6.720 3.012 -14.351 318 HG2 PRO 36 HG2 PRO 36 8.824 1.372 -13.941 319 HG3 PRO 36 HG1 PRO 36 8.936 3.129 -13.811 320 HD2 PRO 36 HD2 PRO 36 8.734 1.079 -11.651 321 HD3 PRO 36 HD1 PRO 36 9.714 2.552 -11.717 322 HA PRO 37 HA PRO 37 2.803 1.805 -10.481 323 HB2 PRO 37 HB2 PRO 37 1.472 1.933 -13.134 324 HB3 PRO 37 HB1 PRO 37 0.911 2.521 -11.566 325 HG2 PRO 37 HG2 PRO 37 1.766 4.224 -13.428 326 HG3 PRO 37 HG1 PRO 37 2.138 4.485 -11.712 327 HD2 PRO 37 HD2 PRO 37 3.892 3.431 -13.895 328 HD3 PRO 37 HD1 PRO 37 4.292 4.527 -12.555 329 H LYS 38 HN LYS 38 4.346 0.770 -13.366 330 HA LYS 38 HA LYS 38 3.048 -1.728 -13.725 331 HB2 LYS 38 HB2 LYS 38 5.765 -0.746 -14.606 332 HB3 LYS 38 HB1 LYS 38 5.022 -2.245 -15.153 333 HG2 LYS 38 HG2 LYS 38 3.392 -1.134 -16.385 334 HG3 LYS 38 HG1 LYS 38 3.625 0.378 -15.505 335 HD2 LYS 38 HD2 LYS 38 5.707 -0.859 -17.292 336 HD3 LYS 38 HD1 LYS 38 4.552 0.360 -17.834 337 HE2 LYS 38 HE2 LYS 38 5.410 1.900 -16.114 338 HE3 LYS 38 HE1 LYS 38 6.592 0.686 -15.631 339 HZ1 LYS 38 HZ1 LYS 38 7.569 2.314 -17.113 340 HZ2 LYS 38 HZ2 LYS 38 6.419 1.971 -18.304 341 HZ3 LYS 38 HZ3 LYS 38 7.546 0.793 -17.855 342 H TYR 39 HN TYR 39 5.681 -0.627 -11.741 343 HA TYR 39 HA TYR 39 6.383 -3.362 -11.015 344 HB2 TYR 39 HB2 TYR 39 7.674 -0.696 -10.498 345 HB3 TYR 39 HB1 TYR 39 8.177 -2.148 -9.646 346 HD1 TYR 39 HD2 TYR 39 9.177 -4.041 -10.910 347 HD2 TYR 39 HD1 TYR 39 8.302 -0.312 -12.746 348 HE1 TYR 39 HE2 TYR 39 10.662 -4.624 -12.782 349 HE2 TYR 39 HE1 TYR 39 9.779 -0.876 -14.617 350 HH TYR 39 HH TYR 39 11.693 -2.350 -15.082 351 H SER 40 HN SER 40 3.967 -1.545 -10.135 352 HA SER 40 HA SER 40 4.075 -1.098 -7.409 353 HB2 SER 40 HB2 SER 40 1.744 -2.070 -9.060 354 HB3 SER 40 HB1 SER 40 1.616 -1.502 -7.399 355 HG SER 40 HG SER 40 2.593 0.495 -8.205 356 H THR 41 HN THR 41 3.293 -2.377 -5.597 357 HA THR 41 HA THR 41 3.413 -5.269 -6.085 358 HB THR 41 HB THR 41 4.832 -5.655 -4.183 359 HG1 THR 41 HG1 THR 41 4.894 -4.208 -2.649 360 HG21 THR 41 HG21 THR 41 5.822 -4.873 -6.430 361 HG22 THR 41 HG22 THR 41 6.871 -4.855 -5.013 362 HG23 THR 41 HG23 THR 41 6.150 -3.355 -5.595 363 H TRP 42 HN TRP 42 2.516 -6.583 -4.370 364 HA TRP 42 HA TRP 42 0.222 -5.259 -3.127 365 HB2 TRP 42 HB2 TRP 42 0.855 -8.127 -3.782 366 HB3 TRP 42 HB1 TRP 42 -0.461 -7.703 -2.692 367 HD1 TRP 42 HD1 TRP 42 0.392 -7.981 -6.327 368 HE1 TRP 42 HE1 TRP 42 -1.648 -7.304 -7.746 369 HE3 TRP 42 HE3 TRP 42 -2.515 -5.935 -2.647 370 HZ2 TRP 42 HZ2 TRP 42 -4.156 -6.068 -7.350 371 HZ3 TRP 42 HZ3 TRP 42 -4.721 -5.031 -3.258 372 HH2 TRP 42 HH2 TRP 42 -5.516 -5.096 -5.568 373 H GLU 43 HN GLU 43 0.744 -4.456 -1.186 374 HA GLU 43 HA GLU 43 2.279 -6.165 0.642 375 HB2 GLU 43 HB2 GLU 43 1.848 -3.175 0.697 376 HB3 GLU 43 HB1 GLU 43 2.748 -4.084 1.905 377 HG2 GLU 43 HG2 GLU 43 3.447 -3.763 -1.002 378 HG3 GLU 43 HG1 GLU 43 4.273 -3.034 0.376 379 HA PRO 44 HA PRO 44 -1.626 -7.000 2.685 380 HB2 PRO 44 HB2 PRO 44 0.294 -7.546 4.903 381 HB3 PRO 44 HB1 PRO 44 -1.076 -8.509 4.339 382 HG2 PRO 44 HG2 PRO 44 1.402 -9.205 3.711 383 HG3 PRO 44 HG1 PRO 44 0.096 -9.355 2.525 384 HD2 PRO 44 HD2 PRO 44 2.287 -7.341 2.691 385 HD3 PRO 44 HD1 PRO 44 1.493 -8.033 1.263 386 H GLU 45 HN GLU 45 -2.879 -6.025 4.184 387 HA GLU 45 HA GLU 45 -2.482 -3.339 4.756 388 HB2 GLU 45 HB2 GLU 45 -4.668 -4.356 4.708 389 HB3 GLU 45 HB1 GLU 45 -4.278 -5.381 6.075 390 HG2 GLU 45 HG2 GLU 45 -4.199 -2.413 6.344 391 HG3 GLU 45 HG1 GLU 45 -5.733 -3.263 6.393 392 H GLU 46 HN GLU 46 -1.209 -6.100 6.316 393 HA GLU 46 HA GLU 46 -0.731 -4.799 8.857 394 HB2 GLU 46 HB2 GLU 46 0.251 -7.448 7.778 395 HB3 GLU 46 HB1 GLU 46 0.473 -6.883 9.427 396 HG2 GLU 46 HG2 GLU 46 -1.926 -6.892 9.780 397 HG3 GLU 46 HG1 GLU 46 -2.184 -7.391 8.110 398 H HIS 47 HN HIS 47 1.047 -5.571 5.923 399 HA HIS 47 HA HIS 47 3.604 -4.818 6.966 400 HB2 HIS 47 HB2 HIS 47 2.597 -5.305 4.163 401 HB3 HIS 47 HB1 HIS 47 4.253 -4.817 4.503 402 HD1 HIS 47 HD1 HIS 47 1.856 -7.631 5.373 403 HD2 HIS 47 HD2 HIS 47 5.933 -6.888 5.043 404 HE1 HIS 47 HE1 HIS 47 2.974 -9.859 5.699 405 HE2 HIS 47 HE2 HIS 47 5.442 -9.360 5.630 406 H ILE 48 HN ILE 48 0.974 -3.125 5.398 407 HA ILE 48 HA ILE 48 2.353 -0.837 4.535 408 HB ILE 48 HB ILE 48 -0.423 -0.785 5.736 409 HG12 ILE 48 HG12 ILE 48 -0.184 -2.602 4.020 410 HG13 ILE 48 HG11 ILE 48 -1.345 -1.354 3.601 411 HG21 ILE 48 HG21 ILE 48 -0.705 1.026 3.996 412 HG22 ILE 48 HG22 ILE 48 1.043 0.961 3.782 413 HG23 ILE 48 HG23 ILE 48 0.363 1.401 5.348 414 HD11 ILE 48 HD11 ILE 48 -0.104 -0.585 1.867 415 HD12 ILE 48 HD12 ILE 48 0.385 -2.281 1.858 416 HD13 ILE 48 HD13 ILE 48 1.428 -1.066 2.599 417 H LEU 49 HN LEU 49 3.809 0.013 5.819 418 HA LEU 49 HA LEU 49 3.666 0.136 8.641 419 HB2 LEU 49 HB2 LEU 49 5.391 1.824 6.867 420 HB3 LEU 49 HB1 LEU 49 5.717 1.347 8.510 421 HG LEU 49 HG LEU 49 5.507 -0.677 6.314 422 HD11 LEU 49 HD11 LEU 49 7.100 0.877 5.521 423 HD12 LEU 49 HD12 LEU 49 7.967 -0.529 6.141 424 HD13 LEU 49 HD13 LEU 49 7.898 0.958 7.091 425 HD21 LEU 49 HD21 LEU 49 5.469 -1.591 8.466 426 HD22 LEU 49 HD22 LEU 49 6.789 -0.575 9.024 427 HD23 LEU 49 HD23 LEU 49 7.090 -1.857 7.847 428 H ASP 50 HN ASP 50 2.014 1.932 6.366 429 HA ASP 50 HA ASP 50 1.648 4.112 8.301 430 HB2 ASP 50 HB2 ASP 50 2.982 4.406 5.899 431 HB3 ASP 50 HB1 ASP 50 1.353 4.970 5.527 432 HA PRO 51 HA PRO 51 -2.621 2.755 7.520 433 HB2 PRO 51 HB2 PRO 51 -3.185 4.718 9.628 434 HB3 PRO 51 HB1 PRO 51 -3.560 2.996 9.586 435 HG2 PRO 51 HG2 PRO 51 -1.678 3.972 11.222 436 HG3 PRO 51 HG1 PRO 51 -1.481 2.399 10.424 437 HD2 PRO 51 HD2 PRO 51 -0.290 5.047 9.695 438 HD3 PRO 51 HD1 PRO 51 0.463 3.440 9.739 439 H ARG 52 HN ARG 52 -1.099 5.845 7.457 440 HA ARG 52 HA ARG 52 -3.272 7.459 6.685 441 HB2 ARG 52 HB2 ARG 52 -0.346 7.699 5.960 442 HB3 ARG 52 HB1 ARG 52 -1.550 8.943 5.682 443 HG2 ARG 52 HG2 ARG 52 -1.720 8.214 8.393 444 HG3 ARG 52 HG1 ARG 52 -0.014 8.434 8.012 445 HD2 ARG 52 HD2 ARG 52 -0.367 10.637 7.266 446 HD3 ARG 52 HD1 ARG 52 -2.110 10.396 7.190 447 HE ARG 52 HE ARG 52 -1.531 10.041 9.817 448 HH11 ARG 52 HH11 ARG 52 -0.850 12.572 7.520 449 HH12 ARG 52 HH12 ARG 52 -0.876 13.834 8.706 450 HH21 ARG 52 HH21 ARG 52 -1.570 11.699 11.387 451 HH22 ARG 52 HH22 ARG 52 -1.284 13.337 10.904 452 H LEU 53 HN LEU 53 -1.077 5.356 4.967 453 HA LEU 53 HA LEU 53 -1.843 5.957 2.327 454 HB2 LEU 53 HB2 LEU 53 -0.696 3.492 3.631 455 HB3 LEU 53 HB1 LEU 53 -1.026 3.565 1.914 456 HG LEU 53 HG LEU 53 0.727 5.629 3.189 457 HD11 LEU 53 HD11 LEU 53 1.607 2.927 2.194 458 HD12 LEU 53 HD12 LEU 53 1.601 3.441 3.880 459 HD13 LEU 53 HD13 LEU 53 2.664 4.237 2.717 460 HD21 LEU 53 HD21 LEU 53 0.535 4.410 0.439 461 HD22 LEU 53 HD22 LEU 53 1.716 5.627 0.931 462 HD23 LEU 53 HD23 LEU 53 -0.003 6.022 0.917 463 H VAL 54 HN VAL 54 -2.875 3.488 4.613 464 HA VAL 54 HA VAL 54 -4.812 2.209 3.074 465 HB VAL 54 HB VAL 54 -4.519 2.559 6.054 466 HG11 VAL 54 HG11 VAL 54 -6.767 1.519 4.546 467 HG12 VAL 54 HG12 VAL 54 -6.653 1.933 6.254 468 HG13 VAL 54 HG13 VAL 54 -6.116 0.349 5.688 469 HG21 VAL 54 HG21 VAL 54 -3.828 0.441 4.065 470 HG22 VAL 54 HG22 VAL 54 -4.009 0.054 5.775 471 HG23 VAL 54 HG23 VAL 54 -2.790 1.220 5.256 472 H MET 55 HN MET 55 -5.209 4.775 5.482 473 HA MET 55 HA MET 55 -7.948 5.117 5.279 474 HB2 MET 55 HB2 MET 55 -6.364 6.160 6.961 475 HB3 MET 55 HB1 MET 55 -6.000 7.360 5.739 476 HG2 MET 55 HG2 MET 55 -7.678 8.538 6.574 477 HG3 MET 55 HG1 MET 55 -8.742 7.358 5.826 478 HE1 MET 55 HE1 MET 55 -7.904 4.863 7.387 479 HE2 MET 55 HE2 MET 55 -9.659 5.050 7.387 480 HE3 MET 55 HE3 MET 55 -8.804 4.758 8.902 481 H ALA 56 HN ALA 56 -5.440 7.103 3.716 482 HA ALA 56 HA ALA 56 -7.067 8.646 2.110 483 HB1 ALA 56 HB1 ALA 56 -4.318 7.612 1.464 484 HB2 ALA 56 HB2 ALA 56 -4.685 9.068 2.384 485 HB3 ALA 56 HB3 ALA 56 -5.110 8.972 0.674 486 H TYR 57 HN TYR 57 -6.004 5.330 1.652 487 HA TYR 57 HA TYR 57 -6.710 5.059 -1.060 488 HB2 TYR 57 HB2 TYR 57 -5.373 3.355 0.085 489 HB3 TYR 57 HB1 TYR 57 -6.738 2.961 1.124 490 HD1 TYR 57 HD1 TYR 57 -5.613 2.972 -2.392 491 HD2 TYR 57 HD2 TYR 57 -8.356 1.405 0.436 492 HE1 TYR 57 HE1 TYR 57 -6.436 1.381 -4.086 493 HE2 TYR 57 HE2 TYR 57 -9.186 -0.196 -1.232 494 HH TYR 57 HH TYR 57 -9.283 -0.418 -3.679 495 H GLU 58 HN GLU 58 -8.486 4.345 1.914 496 HA GLU 58 HA GLU 58 -10.922 3.659 0.675 497 HB2 GLU 58 HB2 GLU 58 -10.615 4.809 3.407 498 HB3 GLU 58 HB1 GLU 58 -11.882 3.743 2.843 499 HG2 GLU 58 HG2 GLU 58 -8.994 2.921 2.987 500 HG3 GLU 58 HG1 GLU 58 -10.126 2.707 4.324 501 H GLU 59 HN GLU 59 -9.319 6.571 0.999 502 HA GLU 59 HA GLU 59 -11.651 8.278 1.100 503 HB2 GLU 59 HB2 GLU 59 -10.118 9.681 1.929 504 HB3 GLU 59 HB1 GLU 59 -8.823 8.561 1.517 505 HG2 GLU 59 HG2 GLU 59 -8.668 9.517 -0.696 506 HG3 GLU 59 HG1 GLU 59 -10.005 10.612 -0.341 507 H LYS 60 HN LYS 60 -9.221 7.285 -1.276 508 HA LYS 60 HA LYS 60 -10.203 8.855 -3.408 509 HB2 LYS 60 HB2 LYS 60 -8.761 6.221 -3.660 510 HB3 LYS 60 HB1 LYS 60 -8.788 7.544 -4.816 511 HG2 LYS 60 HG2 LYS 60 -7.166 8.651 -3.768 512 HG3 LYS 60 HG1 LYS 60 -7.805 8.272 -2.168 513 HD2 LYS 60 HD2 LYS 60 -5.827 7.104 -2.156 514 HD3 LYS 60 HD1 LYS 60 -6.946 5.878 -2.722 515 HE2 LYS 60 HE2 LYS 60 -5.304 7.589 -4.531 516 HE3 LYS 60 HE1 LYS 60 -4.815 5.988 -4.000 517 HZ1 LYS 60 HZ1 LYS 60 -5.852 5.887 -6.165 518 HZ2 LYS 60 HZ2 LYS 60 -7.244 6.646 -5.579 519 HZ3 LYS 60 HZ3 LYS 60 -6.831 5.101 -5.030 520 H GLU 61 HN GLU 61 -10.770 5.508 -2.397 521 HA GLU 61 HA GLU 61 -12.479 4.804 -4.498 522 HB2 GLU 61 HB2 GLU 61 -12.213 3.759 -1.691 523 HB3 GLU 61 HB1 GLU 61 -13.264 3.025 -2.893 524 HG2 GLU 61 HG2 GLU 61 -10.278 3.313 -3.043 525 HG3 GLU 61 HG1 GLU 61 -11.200 1.837 -2.801 526 H GLU 62 HN GLU 62 -13.315 5.797 -1.171 527 HA GLU 62 HA GLU 62 -16.053 5.719 -1.393 528 HB2 GLU 62 HB2 GLU 62 -16.185 7.356 0.377 529 HB3 GLU 62 HB1 GLU 62 -14.853 6.254 0.693 530 HG2 GLU 62 HG2 GLU 62 -13.250 7.875 0.054 531 HG3 GLU 62 HG1 GLU 62 -14.500 8.946 -0.574 532 H ARG 63 HN ARG 63 -13.855 8.222 -2.518 533 HA ARG 63 HA ARG 63 -15.725 10.142 -3.299 534 HB2 ARG 63 HB2 ARG 63 -12.950 9.452 -4.125 535 HB3 ARG 63 HB1 ARG 63 -13.861 10.583 -5.114 536 HG2 ARG 63 HG2 ARG 63 -13.323 10.887 -2.166 537 HG3 ARG 63 HG1 ARG 63 -12.448 11.701 -3.458 538 HD2 ARG 63 HD2 ARG 63 -13.971 13.316 -2.841 539 HD3 ARG 63 HD1 ARG 63 -14.805 12.526 -4.177 540 HE ARG 63 HE ARG 63 -15.409 11.474 -1.552 541 HH11 ARG 63 HH11 ARG 63 -16.294 13.717 -4.068 542 HH12 ARG 63 HH12 ARG 63 -17.932 13.876 -3.526 543 HH21 ARG 63 HH21 ARG 63 -17.561 11.677 -0.832 544 HH22 ARG 63 HH22 ARG 63 -18.652 12.716 -1.686 545 H ASP 64 HN ASP 64 -14.184 7.615 -5.266 546 HA ASP 64 HA ASP 64 -15.940 8.100 -7.499 547 HB2 ASP 64 HB2 ASP 64 -13.538 7.371 -7.702 548 HB3 ASP 64 HB1 ASP 64 -14.041 5.796 -7.122 549 H ARG 65 HN ARG 65 -15.256 5.183 -5.590 550 HA ARG 65 HA ARG 65 -17.117 3.444 -6.327 551 HB2 ARG 65 HB2 ARG 65 -16.473 4.093 -3.477 552 HB3 ARG 65 HB1 ARG 65 -17.240 2.617 -4.023 553 HG2 ARG 65 HG2 ARG 65 -14.551 3.544 -4.954 554 HG3 ARG 65 HG1 ARG 65 -14.811 2.513 -3.566 555 HD2 ARG 65 HD2 ARG 65 -15.510 1.926 -6.410 556 HD3 ARG 65 HD1 ARG 65 -14.290 1.164 -5.402 557 HE ARG 65 HE ARG 65 -16.555 0.689 -4.031 558 HH11 ARG 65 HH11 ARG 65 -15.655 0.186 -7.360 559 HH12 ARG 65 HH12 ARG 65 -16.683 -1.194 -7.563 560 HH21 ARG 65 HH21 ARG 65 -17.906 -1.127 -4.288 561 HH22 ARG 65 HH22 ARG 65 -17.961 -1.941 -5.816 562 H ALA 66 HN ALA 66 -17.788 6.240 -4.270 563 HA ALA 66 HA ALA 66 -19.697 7.234 -3.573 564 HB1 ALA 66 HB1 ALA 66 -19.819 7.325 -6.103 565 HB2 ALA 66 HB2 ALA 66 -21.313 7.614 -5.209 566 HB3 ALA 66 HB3 ALA 66 -21.031 6.049 -5.977 567 H SER 67 HN SER 67 -21.338 4.513 -5.146 568 HA SER 67 HA SER 67 -22.141 3.503 -2.521 569 HB2 SER 67 HB2 SER 67 -24.032 4.088 -4.790 570 HB3 SER 67 HB1 SER 67 -24.467 3.253 -3.304 571 HG SER 67 HG SER 67 -24.971 5.292 -2.839 572 H GLY 68 HN GLY 68 -21.433 1.479 -2.466 573 HA2 GLY 68 HA2 GLY 68 -22.337 -0.519 -4.202 574 HA3 GLY 68 HA1 GLY 68 -20.747 -0.013 -4.744 575 H TYR 69 HN TYR 69 -22.207 -0.535 -1.568 576 HA TYR 69 HA TYR 69 -19.929 -1.484 -0.291 577 HB2 TYR 69 HB2 TYR 69 -22.063 -0.771 0.816 578 HB3 TYR 69 HB1 TYR 69 -22.775 -2.304 0.326 579 HD1 TYR 69 HD2 TYR 69 -20.381 -0.675 2.568 580 HD2 TYR 69 HD1 TYR 69 -22.144 -4.375 1.430 581 HE1 TYR 69 HE2 TYR 69 -19.519 -1.714 4.624 582 HE2 TYR 69 HE1 TYR 69 -21.293 -5.421 3.479 583 HH TYR 69 HH TYR 69 -19.498 -5.073 5.119 584 H ARG 70 HN ARG 70 -19.107 -3.532 0.132 585 HA ARG 70 HA ARG 70 -20.365 -5.873 -0.985 586 HB2 ARG 70 HB2 ARG 70 -18.775 -6.434 -2.611 587 HB3 ARG 70 HB1 ARG 70 -19.088 -4.731 -2.884 588 HG2 ARG 70 HG2 ARG 70 -16.719 -5.809 -1.373 589 HG3 ARG 70 HG1 ARG 70 -16.726 -5.338 -3.067 590 HD2 ARG 70 HD2 ARG 70 -15.837 -3.502 -1.930 591 HD3 ARG 70 HD1 ARG 70 -17.499 -3.077 -2.313 592 HE ARG 70 HE ARG 70 -17.411 -4.207 0.256 593 HH11 ARG 70 HH11 ARG 70 -16.420 -1.327 -1.437 594 HH12 ARG 70 HH12 ARG 70 -16.504 -0.318 -0.031 595 HH21 ARG 70 HH21 ARG 70 -17.523 -2.883 2.111 596 HH22 ARG 70 HH22 ARG 70 -17.131 -1.200 1.983 597 H LYS 71 HN LYS 71 -18.026 -7.484 -1.062 598 HA LYS 71 HA LYS 71 -17.733 -7.973 1.763 599 HB2 LYS 71 HB2 LYS 71 -18.014 -9.822 0.154 600 HB3 LYS 71 HB1 LYS 71 -16.485 -9.391 -0.599 601 HG2 LYS 71 HG2 LYS 71 -15.300 -9.925 1.454 602 HG3 LYS 71 HG1 LYS 71 -16.827 -10.305 2.251 603 HD2 LYS 71 HD2 LYS 71 -17.212 -12.099 0.604 604 HD3 LYS 71 HD1 LYS 71 -15.647 -11.738 -0.129 605 HE2 LYS 71 HE2 LYS 71 -14.525 -12.299 1.960 606 HE3 LYS 71 HE1 LYS 71 -16.082 -12.615 2.726 607 HZ1 LYS 71 HZ1 LYS 71 -14.944 -14.115 0.427 608 HZ2 LYS 71 HZ2 LYS 71 -16.444 -14.417 1.151 609 HZ3 LYS 71 HZ3 LYS 71 -15.017 -14.662 2.027 610 H1 ALA 15 HT1 ALA 15 -9.236 26.248 0.304 611 H2 ALA 15 HT2 ALA 15 -7.776 27.094 0.189 612 H3 ALA 15 HT3 ALA 15 -8.114 26.174 1.568 613 HA ALA 15 HA ALA 15 -8.068 24.148 0.283 614 HB1 ALA 15 HB1 ALA 15 -7.367 24.182 -2.049 615 HB2 ALA 15 HB2 ALA 15 -7.306 25.944 -2.016 616 HB3 ALA 15 HB3 ALA 15 -8.848 25.112 -1.826 617 HA PRO 16 HA PRO 16 -3.812 25.353 1.704 618 HB2 PRO 16 HB2 PRO 16 -3.666 23.577 3.740 619 HB3 PRO 16 HB1 PRO 16 -4.414 25.168 3.918 620 HG2 PRO 16 HG2 PRO 16 -5.706 22.505 3.485 621 HG3 PRO 16 HG1 PRO 16 -6.185 23.818 4.575 622 HD2 PRO 16 HD2 PRO 16 -7.374 23.379 2.167 623 HD3 PRO 16 HD1 PRO 16 -7.241 24.989 2.902 624 H ARG 17 HN ARG 17 -2.065 24.440 0.822 625 HA ARG 17 HA ARG 17 -2.264 21.650 -0.087 626 HB2 ARG 17 HB2 ARG 17 -0.447 22.272 -1.679 627 HB3 ARG 17 HB1 ARG 17 -1.939 23.171 -1.918 628 HG2 ARG 17 HG2 ARG 17 -1.012 25.101 -0.823 629 HG3 ARG 17 HG1 ARG 17 0.454 24.206 -0.416 630 HD2 ARG 17 HD2 ARG 17 -0.507 24.788 -3.214 631 HD3 ARG 17 HD1 ARG 17 0.748 25.691 -2.366 632 HE ARG 17 HE ARG 17 1.709 23.200 -2.250 633 HH11 ARG 17 HH11 ARG 17 0.369 25.021 -4.901 634 HH12 ARG 17 HH12 ARG 17 1.327 24.223 -6.102 635 HH21 ARG 17 HH21 ARG 17 2.976 22.145 -3.824 636 HH22 ARG 17 HH22 ARG 17 2.810 22.589 -5.490 637 H LYS 18 HN LYS 18 -0.743 20.161 0.461 638 HA LYS 18 HA LYS 18 1.638 20.999 1.921 639 HB2 LYS 18 HB2 LYS 18 -0.455 19.132 3.044 640 HB3 LYS 18 HB1 LYS 18 1.171 19.282 3.698 641 HG2 LYS 18 HG2 LYS 18 0.778 21.594 4.260 642 HG3 LYS 18 HG1 LYS 18 -0.812 21.538 3.495 643 HD2 LYS 18 HD2 LYS 18 -1.552 19.884 5.124 644 HD3 LYS 18 HD1 LYS 18 0.047 19.887 5.871 645 HE2 LYS 18 HE2 LYS 18 -0.224 22.235 6.466 646 HE3 LYS 18 HE1 LYS 18 -1.805 22.261 5.684 647 HZ1 LYS 18 HZ1 LYS 18 -1.993 22.003 8.081 648 HZ2 LYS 18 HZ2 LYS 18 -1.069 20.587 8.025 649 HZ3 LYS 18 HZ3 LYS 18 -2.588 20.635 7.283 650 H GLN 19 HN GLN 19 3.363 19.665 1.625 651 HA GLN 19 HA GLN 19 2.888 17.128 0.208 652 HB2 GLN 19 HB2 GLN 19 4.884 17.554 -1.160 653 HB3 GLN 19 HB1 GLN 19 3.653 18.783 -1.411 654 HG2 GLN 19 HG2 GLN 19 4.854 20.346 -0.042 655 HG3 GLN 19 HG1 GLN 19 6.029 19.110 0.405 656 HE21 GLN 19 HE21 GLN 19 6.403 21.704 -0.900 657 HE22 GLN 19 HE22 GLN 19 7.207 21.372 -2.392 658 H LEU 20 HN LEU 20 3.553 17.960 3.059 659 HA LEU 20 HA LEU 20 6.210 16.939 3.497 660 HB2 LEU 20 HB2 LEU 20 3.981 17.787 5.330 661 HB3 LEU 20 HB1 LEU 20 5.446 17.048 5.944 662 HG LEU 20 HG LEU 20 6.739 18.907 4.838 663 HD11 LEU 20 HD11 LEU 20 5.503 20.948 4.279 664 HD12 LEU 20 HD12 LEU 20 3.983 20.084 4.514 665 HD13 LEU 20 HD13 LEU 20 5.078 19.607 3.215 666 HD21 LEU 20 HD21 LEU 20 6.239 18.871 7.239 667 HD22 LEU 20 HD22 LEU 20 4.723 19.718 6.930 668 HD23 LEU 20 HD23 LEU 20 6.262 20.513 6.597 669 H ALA 21 HN ALA 21 3.151 15.575 3.057 670 HA ALA 21 HA ALA 21 3.197 13.368 4.773 671 HB1 ALA 21 HB1 ALA 21 1.626 12.333 3.185 672 HB2 ALA 21 HB2 ALA 21 1.976 13.618 2.028 673 HB3 ALA 21 HB3 ALA 21 1.200 14.000 3.563 674 H THR 22 HN THR 22 4.451 11.630 4.854 675 HA THR 22 HA THR 22 6.183 11.039 2.560 676 HB THR 22 HB THR 22 7.499 9.668 4.198 677 HG1 THR 22 HG1 THR 22 5.382 10.388 5.793 678 HG21 THR 22 HG21 THR 22 8.531 11.591 5.308 679 HG22 THR 22 HG22 THR 22 7.129 12.582 4.905 680 HG23 THR 22 HG23 THR 22 8.163 11.955 3.622 681 H LYS 23 HN LYS 23 4.866 9.012 5.176 682 HA LYS 23 HA LYS 23 3.849 6.985 5.182 683 HB2 LYS 23 HB2 LYS 23 2.955 7.920 2.453 684 HB3 LYS 23 HB1 LYS 23 2.399 6.427 3.191 685 HG2 LYS 23 HG2 LYS 23 0.722 8.027 3.600 686 HG3 LYS 23 HG1 LYS 23 1.578 7.825 5.130 687 HD2 LYS 23 HD2 LYS 23 2.881 9.853 4.647 688 HD3 LYS 23 HD1 LYS 23 1.997 10.055 3.135 689 HE2 LYS 23 HE2 LYS 23 0.755 10.032 5.882 690 HE3 LYS 23 HE1 LYS 23 1.137 11.483 4.958 691 HZ1 LYS 23 HZ1 LYS 23 -0.752 9.351 4.115 692 HZ2 LYS 23 HZ2 LYS 23 -0.396 10.756 3.243 693 HZ3 LYS 23 HZ3 LYS 23 -1.189 10.865 4.733 694 H ALA 24 HN ALA 24 4.743 5.023 5.035 695 HA ALA 24 HA ALA 24 6.172 4.274 2.592 696 HB1 ALA 24 HB1 ALA 24 7.834 5.278 4.104 697 HB2 ALA 24 HB2 ALA 24 8.143 3.569 3.801 698 HB3 ALA 24 HB3 ALA 24 7.420 4.077 5.328 699 H ALA 25 HN ALA 25 6.749 1.973 2.525 700 HA ALA 25 HA ALA 25 5.082 0.282 4.259 701 HB1 ALA 25 HB1 ALA 25 3.848 0.551 2.208 702 HB2 ALA 25 HB2 ALA 25 4.475 -1.095 2.301 703 HB3 ALA 25 HB3 ALA 25 5.258 0.091 1.257 704 H ARG 26 HN ARG 26 5.698 -2.183 3.525 705 HA ARG 26 HA ARG 26 8.535 -2.325 4.146 706 HB2 ARG 26 HB2 ARG 26 6.338 -4.385 4.150 707 HB3 ARG 26 HB1 ARG 26 8.025 -4.786 4.451 708 HG2 ARG 26 HG2 ARG 26 8.072 -3.406 6.403 709 HG3 ARG 26 HG1 ARG 26 6.460 -2.779 6.056 710 HD2 ARG 26 HD2 ARG 26 5.504 -4.980 6.395 711 HD3 ARG 26 HD1 ARG 26 7.109 -5.662 6.656 712 HE ARG 26 HE ARG 26 6.831 -3.646 8.515 713 HH11 ARG 26 HH11 ARG 26 5.181 -6.614 7.731 714 HH12 ARG 26 HH12 ARG 26 4.677 -6.914 9.361 715 HH21 ARG 26 HH21 ARG 26 6.175 -4.035 10.663 716 HH22 ARG 26 HH22 ARG 26 5.241 -5.447 11.028 717 H MLY 27 HN MLY 27 6.811 -4.759 2.272 718 HA MLY 27 HA MLY 27 7.253 -5.756 0.276 719 HB2 MLY 27 HB2 MLY 27 7.106 -3.187 -0.363 720 HB3 MLY 27 HB1 MLY 27 8.817 -3.405 -0.693 721 HG2 MLY 27 HG2 MLY 27 6.995 -5.417 -1.855 722 HG3 MLY 27 HG1 MLY 27 6.897 -3.788 -2.521 723 HD2 MLY 27 HD2 MLY 27 9.434 -5.402 -2.269 724 HD3 MLY 27 HD1 MLY 27 8.479 -5.240 -3.745 725 HE2 MLY 27 HE2 MLY 27 8.793 -2.737 -3.510 726 HE3 MLY 27 HE1 MLY 27 9.984 -3.095 -2.261 727 HH11 MLY 27 HH11 MLY 27 10.019 -1.851 -5.154 728 HH12 MLY 27 HH12 MLY 27 11.346 -1.722 -4.001 729 HH13 MLY 27 HH13 MLY 27 11.611 -2.487 -5.569 730 HH21 MLY 27 HH21 MLY 27 11.473 -5.260 -3.183 731 HH22 MLY 27 HH22 MLY 27 12.495 -4.412 -4.341 732 HH23 MLY 27 HH23 MLY 27 12.111 -3.664 -2.790 733 HZ MLY 27 HZ MLY 27 10.150 -4.278 -4.934 734 H SER 28 HN SER 28 8.815 -6.665 2.142 735 HA SER 28 HA SER 28 11.232 -7.362 0.787 736 HB2 SER 28 HB2 SER 28 12.014 -5.268 1.680 737 HB3 SER 28 HB1 SER 28 11.411 -5.679 3.283 738 HG SER 28 HG SER 28 13.500 -6.969 1.860 739 H ALA 29 HN ALA 29 12.433 -9.035 1.876 740 HA ALA 29 HA ALA 29 11.470 -10.163 4.311 741 HB1 ALA 29 HB1 ALA 29 10.827 -11.666 1.774 742 HB2 ALA 29 HB2 ALA 29 9.662 -10.900 2.855 743 HB3 ALA 29 HB3 ALA 29 10.617 -12.272 3.418 744 HA PRO 30 HA PRO 30 14.981 -12.978 2.453 745 HB2 PRO 30 HB2 PRO 30 16.229 -11.984 0.226 746 HB3 PRO 30 HB1 PRO 30 14.931 -13.183 0.174 747 HG2 PRO 30 HG2 PRO 30 14.796 -10.222 -0.237 748 HG3 PRO 30 HG1 PRO 30 13.986 -11.516 -1.140 749 HD2 PRO 30 HD2 PRO 30 12.693 -10.065 0.714 750 HD3 PRO 30 HD1 PRO 30 12.349 -11.790 0.471 Start of MODEL 7 1 H MET 1 HT1 MET 1 5.817 -15.069 -0.942 2 HA MET 1 HA MET 1 6.317 -16.098 -3.675 3 HB2 MET 1 HB2 MET 1 7.153 -13.722 -2.685 4 HB3 MET 1 HB1 MET 1 8.435 -14.774 -2.091 5 HG2 MET 1 HG2 MET 1 9.082 -13.822 -4.197 6 HG3 MET 1 HG1 MET 1 8.829 -15.556 -4.386 7 HE1 MET 1 HE1 MET 1 9.036 -13.478 -6.792 8 HE2 MET 1 HE2 MET 1 7.728 -14.013 -7.846 9 HE3 MET 1 HE3 MET 1 8.772 -15.201 -7.064 10 H GLU 2 HN GLU 2 8.141 -15.795 -0.646 11 HA GLU 2 HA GLU 2 8.653 -18.680 -0.779 12 HB2 GLU 2 HB2 GLU 2 10.725 -17.784 0.711 13 HB3 GLU 2 HB1 GLU 2 10.789 -18.014 -1.030 14 HG2 GLU 2 HG2 GLU 2 11.718 -15.886 -0.519 15 HG3 GLU 2 HG1 GLU 2 10.165 -15.641 -1.316 16 H LEU 3 HN LEU 3 8.052 -15.930 1.335 17 HA LEU 3 HA LEU 3 7.401 -15.770 3.514 18 HB2 LEU 3 HB2 LEU 3 5.542 -17.153 2.272 19 HB3 LEU 3 HB1 LEU 3 6.125 -18.467 3.272 20 HG LEU 3 HG LEU 3 4.154 -17.369 4.239 21 HD11 LEU 3 HD11 LEU 3 6.650 -16.895 5.860 22 HD12 LEU 3 HD12 LEU 3 5.792 -18.429 5.718 23 HD13 LEU 3 HD13 LEU 3 5.008 -17.049 6.485 24 HD21 LEU 3 HD21 LEU 3 5.916 -14.933 4.448 25 HD22 LEU 3 HD22 LEU 3 4.285 -15.100 5.096 26 HD23 LEU 3 HD23 LEU 3 4.548 -15.121 3.352 27 H SER 4 HN SER 4 9.643 -16.035 4.183 28 HA SER 4 HA SER 4 9.911 -18.241 6.038 29 HB2 SER 4 HB2 SER 4 12.154 -18.896 5.193 30 HB3 SER 4 HB1 SER 4 10.870 -19.233 4.033 31 HG SER 4 HG SER 4 12.902 -17.315 3.946 32 H ALA 5 HN ALA 5 11.848 -15.663 4.500 33 HA ALA 5 HA ALA 5 12.626 -14.781 7.202 34 HB1 ALA 5 HB1 ALA 5 14.223 -14.442 4.670 35 HB2 ALA 5 HB2 ALA 5 14.486 -15.717 5.858 36 HB3 ALA 5 HB3 ALA 5 14.730 -14.030 6.309 37 H ILE 6 HN ILE 6 11.534 -13.824 4.033 38 HA ILE 6 HA ILE 6 10.754 -11.859 3.175 39 HB ILE 6 HB ILE 6 9.989 -11.279 6.040 40 HG12 ILE 6 HG12 ILE 6 8.408 -12.740 3.913 41 HG13 ILE 6 HG11 ILE 6 9.243 -13.525 5.249 42 HG21 ILE 6 HG21 ILE 6 9.774 -9.357 4.564 43 HG22 ILE 6 HG22 ILE 6 8.184 -9.961 5.031 44 HG23 ILE 6 HG23 ILE 6 8.827 -10.318 3.428 45 HD11 ILE 6 HD11 ILE 6 7.815 -12.339 6.834 46 HD12 ILE 6 HD12 ILE 6 6.874 -13.312 5.704 47 HD13 ILE 6 HD13 ILE 6 6.974 -11.564 5.492 48 H GLY 7 HN GLY 7 12.882 -11.097 2.657 49 HA2 GLY 7 HA2 GLY 7 14.424 -9.517 4.444 50 HA3 GLY 7 HA1 GLY 7 14.624 -9.597 2.700 51 H GLU 8 HN GLU 8 13.210 -7.877 5.354 52 HA GLU 8 HA GLU 8 11.531 -6.122 3.929 53 HB2 GLU 8 HB2 GLU 8 13.030 -5.384 6.435 54 HB3 GLU 8 HB1 GLU 8 11.454 -4.812 5.901 55 HG2 GLU 8 HG2 GLU 8 10.449 -6.926 6.353 56 HG3 GLU 8 HG1 GLU 8 12.018 -7.661 6.670 57 H GLN 9 HN GLN 9 12.051 -3.631 4.162 58 HA GLN 9 HA GLN 9 14.687 -2.731 3.801 59 HB2 GLN 9 HB2 GLN 9 14.454 -2.119 1.345 60 HB3 GLN 9 HB1 GLN 9 14.741 -3.818 1.696 61 HG2 GLN 9 HG2 GLN 9 12.338 -4.251 1.448 62 HG3 GLN 9 HG1 GLN 9 12.097 -2.560 1.014 63 HE21 GLN 9 HE21 GLN 9 11.299 -3.087 -1.013 64 HE22 GLN 9 HE22 GLN 9 12.312 -3.673 -2.282 65 H VAL 10 HN VAL 10 11.301 -2.243 2.929 66 HA VAL 10 HA VAL 10 9.895 -0.477 3.171 67 HB VAL 10 HB VAL 10 12.042 0.702 4.926 68 HG11 VAL 10 HG11 VAL 10 9.121 1.347 4.608 69 HG12 VAL 10 HG12 VAL 10 10.497 2.398 4.281 70 HG13 VAL 10 HG13 VAL 10 10.120 1.929 5.938 71 HG21 VAL 10 HG21 VAL 10 9.643 -0.964 5.713 72 HG22 VAL 10 HG22 VAL 10 10.840 -0.262 6.803 73 HG23 VAL 10 HG23 VAL 10 11.314 -1.533 5.677 74 H PHE 11 HN PHE 11 9.406 1.169 1.880 75 HA PHE 11 HA PHE 11 11.514 2.965 0.961 76 HB2 PHE 11 HB2 PHE 11 9.748 1.281 -0.805 77 HB3 PHE 11 HB1 PHE 11 10.430 2.795 -1.382 78 HD1 PHE 11 HD2 PHE 11 13.133 2.689 -0.168 79 HD2 PHE 11 HD1 PHE 11 10.803 -0.325 -2.056 80 HE1 PHE 11 HE2 PHE 11 15.193 1.506 -0.806 81 HE2 PHE 11 HE1 PHE 11 12.857 -1.518 -2.699 82 HZ PHE 11 HZ PHE 11 15.057 -0.602 -2.075 83 H ALA 12 HN ALA 12 9.883 4.262 -0.976 84 HA ALA 12 HA ALA 12 7.953 5.582 0.809 85 HB1 ALA 12 HB1 ALA 12 8.223 7.404 -1.068 86 HB2 ALA 12 HB2 ALA 12 9.742 6.558 -1.358 87 HB3 ALA 12 HB3 ALA 12 9.405 7.251 0.229 88 H VAL 13 HN VAL 13 5.893 5.091 0.436 89 HA VAL 13 HA VAL 13 5.062 4.102 -2.179 90 HB VAL 13 HB VAL 13 3.709 4.193 0.514 91 HG11 VAL 13 HG11 VAL 13 1.826 2.990 -0.822 92 HG12 VAL 13 HG12 VAL 13 2.441 3.951 -2.170 93 HG13 VAL 13 HG13 VAL 13 1.853 4.751 -0.711 94 HG21 VAL 13 HG21 VAL 13 3.262 1.760 -0.435 95 HG22 VAL 13 HG22 VAL 13 4.733 2.177 0.460 96 HG23 VAL 13 HG23 VAL 13 4.756 2.120 -1.304 97 H GLU 14 HN GLU 14 4.260 5.437 -3.675 98 HA GLU 14 HA GLU 14 3.670 8.138 -3.290 99 HB2 GLU 14 HB2 GLU 14 4.013 7.052 -5.520 100 HB3 GLU 14 HB1 GLU 14 2.441 6.279 -5.350 101 HG2 GLU 14 HG2 GLU 14 1.367 8.472 -5.309 102 HG3 GLU 14 HG1 GLU 14 2.942 9.247 -5.471 103 H SER 15 HN SER 15 1.709 5.249 -3.270 104 HA SER 15 HA SER 15 0.036 5.666 -1.216 105 HB2 SER 15 HB2 SER 15 -2.084 6.522 -2.351 106 HB3 SER 15 HB1 SER 15 -0.844 7.737 -2.041 107 HG SER 15 HG SER 15 -0.166 7.294 -4.281 108 H ILE 16 HN ILE 16 -1.475 4.027 -1.026 109 HA ILE 16 HA ILE 16 -1.110 1.723 -2.497 110 HB ILE 16 HB ILE 16 -3.471 2.620 -0.854 111 HG12 ILE 16 HG12 ILE 16 -1.458 0.426 -0.356 112 HG13 ILE 16 HG11 ILE 16 -1.256 2.066 0.215 113 HG21 ILE 16 HG21 ILE 16 -4.328 0.378 -0.969 114 HG22 ILE 16 HG22 ILE 16 -3.044 -0.102 -2.069 115 HG23 ILE 16 HG23 ILE 16 -4.260 1.069 -2.582 116 HD11 ILE 16 HD11 ILE 16 -3.075 1.900 1.681 117 HD12 ILE 16 HD12 ILE 16 -2.171 0.401 1.865 118 HD13 ILE 16 HD13 ILE 16 -3.653 0.429 0.911 119 H ARG 17 HN ARG 17 -2.285 0.707 -4.136 120 HA ARG 17 HA ARG 17 -3.815 2.523 -5.872 121 HB2 ARG 17 HB2 ARG 17 -1.694 0.625 -6.379 122 HB3 ARG 17 HB1 ARG 17 -3.113 0.251 -7.340 123 HG2 ARG 17 HG2 ARG 17 -3.082 2.675 -8.042 124 HG3 ARG 17 HG1 ARG 17 -1.473 2.751 -7.329 125 HD2 ARG 17 HD2 ARG 17 -0.784 0.873 -8.780 126 HD3 ARG 17 HD1 ARG 17 -2.379 0.903 -9.531 127 HE ARG 17 HE ARG 17 -0.528 3.194 -9.655 128 HH11 ARG 17 HH11 ARG 17 -2.772 0.982 -11.142 129 HH12 ARG 17 HH12 ARG 17 -2.725 1.770 -12.685 130 HH21 ARG 17 HH21 ARG 17 -0.463 4.240 -11.682 131 HH22 ARG 17 HH22 ARG 17 -1.413 3.619 -12.992 132 H LYS 18 HN LYS 18 -3.632 -0.826 -4.716 133 HA LYS 18 HA LYS 18 -6.528 -1.058 -5.180 134 HB2 LYS 18 HB2 LYS 18 -4.505 -3.208 -5.747 135 HB3 LYS 18 HB1 LYS 18 -6.238 -3.326 -5.969 136 HG2 LYS 18 HG2 LYS 18 -6.228 -1.858 -7.777 137 HG3 LYS 18 HG1 LYS 18 -4.619 -1.255 -7.387 138 HD2 LYS 18 HD2 LYS 18 -3.671 -3.426 -7.948 139 HD3 LYS 18 HD1 LYS 18 -5.277 -4.028 -8.329 140 HE2 LYS 18 HE2 LYS 18 -5.496 -2.539 -10.167 141 HE3 LYS 18 HE1 LYS 18 -4.039 -1.672 -9.697 142 HZ1 LYS 18 HZ1 LYS 18 -3.631 -3.163 -11.557 143 HZ2 LYS 18 HZ2 LYS 18 -4.136 -4.486 -10.635 144 HZ3 LYS 18 HZ3 LYS 18 -2.738 -3.641 -10.201 145 H LYS 19 HN LYS 19 -7.344 -3.169 -4.131 146 HA LYS 19 HA LYS 19 -5.948 -3.897 -1.690 147 HB2 LYS 19 HB2 LYS 19 -7.243 -2.155 -0.761 148 HB3 LYS 19 HB1 LYS 19 -8.650 -2.573 -1.722 149 HG2 LYS 19 HG2 LYS 19 -8.929 -4.625 -0.441 150 HG3 LYS 19 HG1 LYS 19 -7.490 -4.243 0.500 151 HD2 LYS 19 HD2 LYS 19 -8.707 -2.076 1.124 152 HD3 LYS 19 HD1 LYS 19 -10.158 -2.864 0.493 153 HE2 LYS 19 HE2 LYS 19 -9.659 -4.781 2.037 154 HE3 LYS 19 HE1 LYS 19 -8.406 -3.786 2.760 155 HZ1 LYS 19 HZ1 LYS 19 -10.455 -3.655 4.019 156 HZ2 LYS 19 HZ2 LYS 19 -11.294 -3.111 2.654 157 HZ3 LYS 19 HZ3 LYS 19 -10.085 -2.148 3.342 158 H ARG 20 HN ARG 20 -6.224 -5.988 -1.215 159 HA ARG 20 HA ARG 20 -8.548 -7.394 -2.262 160 HB2 ARG 20 HB2 ARG 20 -7.429 -8.696 -3.715 161 HB3 ARG 20 HB1 ARG 20 -6.147 -7.497 -3.606 162 HG2 ARG 20 HG2 ARG 20 -5.463 -9.005 -1.534 163 HG3 ARG 20 HG1 ARG 20 -6.302 -10.217 -2.466 164 HD2 ARG 20 HD2 ARG 20 -4.897 -9.663 -4.417 165 HD3 ARG 20 HD1 ARG 20 -4.001 -8.526 -3.409 166 HE ARG 20 HE ARG 20 -3.772 -10.811 -2.021 167 HH11 ARG 20 HH11 ARG 20 -3.263 -10.069 -5.388 168 HH12 ARG 20 HH12 ARG 20 -2.048 -11.285 -5.604 169 HH21 ARG 20 HH21 ARG 20 -2.174 -12.413 -2.298 170 HH22 ARG 20 HH22 ARG 20 -1.430 -12.616 -3.849 171 H VAL 21 HN VAL 21 -9.273 -8.967 -0.924 172 HA VAL 21 HA VAL 21 -7.658 -9.506 1.472 173 HB VAL 21 HB VAL 21 -10.645 -9.092 1.320 174 HG11 VAL 21 HG11 VAL 21 -9.012 -9.866 3.735 175 HG12 VAL 21 HG12 VAL 21 -10.018 -10.991 2.815 176 HG13 VAL 21 HG13 VAL 21 -10.761 -9.632 3.658 177 HG21 VAL 21 HG21 VAL 21 -8.700 -7.688 3.112 178 HG22 VAL 21 HG22 VAL 21 -10.308 -7.169 2.589 179 HG23 VAL 21 HG23 VAL 21 -8.959 -7.141 1.452 180 H ARG 22 HN ARG 22 -7.849 -11.586 2.407 181 HA ARG 22 HA ARG 22 -9.178 -13.631 0.769 182 HB2 ARG 22 HB2 ARG 22 -6.694 -13.493 0.297 183 HB3 ARG 22 HB1 ARG 22 -6.435 -13.976 1.964 184 HG2 ARG 22 HG2 ARG 22 -7.641 -16.058 1.555 185 HG3 ARG 22 HG1 ARG 22 -7.894 -15.574 -0.121 186 HD2 ARG 22 HD2 ARG 22 -5.473 -15.530 -0.473 187 HD3 ARG 22 HD1 ARG 22 -5.220 -16.012 1.204 188 HE ARG 22 HE ARG 22 -6.871 -17.915 0.010 189 HH11 ARG 22 HH11 ARG 22 -3.606 -16.731 -0.262 190 HH12 ARG 22 HH12 ARG 22 -2.968 -18.241 -0.823 191 HH21 ARG 22 HH21 ARG 22 -6.038 -19.908 -0.729 192 HH22 ARG 22 HH22 ARG 22 -4.350 -20.045 -1.090 193 H LYS 23 HN LYS 23 -10.807 -14.025 2.229 194 HA LYS 23 HA LYS 23 -11.829 -14.857 4.085 195 HB2 LYS 23 HB2 LYS 23 -9.089 -16.027 4.490 196 HB3 LYS 23 HB1 LYS 23 -10.446 -16.389 5.546 197 HG2 LYS 23 HG2 LYS 23 -11.568 -17.578 3.913 198 HG3 LYS 23 HG1 LYS 23 -10.696 -16.790 2.602 199 HD2 LYS 23 HD2 LYS 23 -9.898 -19.038 2.775 200 HD3 LYS 23 HD1 LYS 23 -8.634 -17.956 3.363 201 HE2 LYS 23 HE2 LYS 23 -8.739 -19.757 4.896 202 HE3 LYS 23 HE1 LYS 23 -9.508 -18.375 5.677 203 HZ1 LYS 23 HZ1 LYS 23 -11.667 -19.283 5.072 204 HZ2 LYS 23 HZ2 LYS 23 -10.792 -20.387 6.007 205 HZ3 LYS 23 HZ3 LYS 23 -10.925 -20.613 4.337 206 H GLY 24 HN GLY 24 -9.698 -12.482 4.078 207 HA2 GLY 24 HA2 GLY 24 -10.371 -10.811 5.894 208 HA3 GLY 24 HA1 GLY 24 -9.706 -12.024 6.976 209 H LYS 25 HN LYS 25 -7.683 -12.666 4.816 210 HA LYS 25 HA LYS 25 -5.603 -11.010 5.751 211 HB2 LYS 25 HB2 LYS 25 -5.684 -12.764 3.299 212 HB3 LYS 25 HB1 LYS 25 -4.232 -12.127 4.052 213 HG2 LYS 25 HG2 LYS 25 -4.564 -13.463 5.993 214 HG3 LYS 25 HG1 LYS 25 -6.168 -13.954 5.447 215 HD2 LYS 25 HD2 LYS 25 -4.616 -15.747 5.020 216 HD3 LYS 25 HD1 LYS 25 -5.123 -15.029 3.488 217 HE2 LYS 25 HE2 LYS 25 -3.075 -13.896 3.221 218 HE3 LYS 25 HE1 LYS 25 -2.604 -14.192 4.893 219 HZ1 LYS 25 HZ1 LYS 25 -2.863 -16.251 2.766 220 HZ2 LYS 25 HZ2 LYS 25 -2.436 -16.557 4.373 221 HZ3 LYS 25 HZ3 LYS 25 -1.411 -15.643 3.387 222 H VAL 26 HN VAL 26 -5.729 -8.859 5.330 223 HA VAL 26 HA VAL 26 -6.696 -7.920 2.784 224 HB VAL 26 HB VAL 26 -5.480 -6.322 5.030 225 HG11 VAL 26 HG11 VAL 26 -7.233 -5.472 2.728 226 HG12 VAL 26 HG12 VAL 26 -5.495 -5.185 2.846 227 HG13 VAL 26 HG13 VAL 26 -6.595 -4.423 3.996 228 HG21 VAL 26 HG21 VAL 26 -8.390 -6.465 4.475 229 HG22 VAL 26 HG22 VAL 26 -7.560 -6.062 5.976 230 HG23 VAL 26 HG23 VAL 26 -7.634 -7.738 5.428 231 H GLU 27 HN GLU 27 -5.575 -6.729 1.299 232 HA GLU 27 HA GLU 27 -2.670 -6.590 1.452 233 HB2 GLU 27 HB2 GLU 27 -4.288 -8.153 -0.512 234 HB3 GLU 27 HB1 GLU 27 -2.753 -7.484 -1.017 235 HG2 GLU 27 HG2 GLU 27 -2.894 -9.061 1.496 236 HG3 GLU 27 HG1 GLU 27 -2.935 -9.910 -0.046 237 H TYR 28 HN TYR 28 -1.790 -4.973 0.042 238 HA TYR 28 HA TYR 28 -3.782 -3.288 -1.300 239 HB2 TYR 28 HB2 TYR 28 -1.773 -2.410 0.761 240 HB3 TYR 28 HB1 TYR 28 -2.533 -1.286 -0.347 241 HD1 TYR 28 HD1 TYR 28 -5.169 -1.442 -0.410 242 HD2 TYR 28 HD2 TYR 28 -2.763 -2.727 2.853 243 HE1 TYR 28 HE1 TYR 28 -7.102 -1.250 1.091 244 HE2 TYR 28 HE2 TYR 28 -4.688 -2.514 4.356 245 HH TYR 28 HH TYR 28 -6.817 -1.327 4.475 246 H LEU 29 HN LEU 29 -3.190 -3.145 -3.374 247 HA LEU 29 HA LEU 29 -0.540 -3.591 -4.298 248 HB2 LEU 29 HB2 LEU 29 -2.732 -3.845 -5.630 249 HB3 LEU 29 HB1 LEU 29 -2.704 -2.106 -5.800 250 HG LEU 29 HG LEU 29 -1.793 -3.605 -7.722 251 HD11 LEU 29 HD11 LEU 29 -1.725 -1.146 -7.571 252 HD12 LEU 29 HD12 LEU 29 -0.349 -1.841 -8.421 253 HD13 LEU 29 HD13 LEU 29 -0.167 -1.271 -6.762 254 HD21 LEU 29 HD21 LEU 29 0.618 -3.435 -5.947 255 HD22 LEU 29 HD22 LEU 29 0.583 -4.051 -7.596 256 HD23 LEU 29 HD23 LEU 29 -0.266 -4.913 -6.311 257 H VAL 30 HN VAL 30 0.697 -2.131 -2.994 258 HA VAL 30 HA VAL 30 0.190 0.660 -2.961 259 HB VAL 30 HB VAL 30 2.477 0.863 -2.006 260 HG11 VAL 30 HG11 VAL 30 1.969 -0.326 0.068 261 HG12 VAL 30 HG12 VAL 30 0.723 -1.252 -0.767 262 HG13 VAL 30 HG13 VAL 30 0.545 0.492 -0.574 263 HG21 VAL 30 HG21 VAL 30 3.742 -1.141 -1.485 264 HG22 VAL 30 HG22 VAL 30 3.509 -1.004 -3.227 265 HG23 VAL 30 HG23 VAL 30 2.534 -2.139 -2.294 266 H LYS 31 HN LYS 31 0.810 2.260 -4.243 267 HA LYS 31 HA LYS 31 2.378 1.608 -6.622 268 HB2 LYS 31 HB2 LYS 31 0.211 2.771 -6.894 269 HB3 LYS 31 HB1 LYS 31 0.815 4.105 -5.922 270 HG2 LYS 31 HG2 LYS 31 2.553 4.522 -7.610 271 HG3 LYS 31 HG1 LYS 31 1.881 3.220 -8.595 272 HD2 LYS 31 HD2 LYS 31 -0.274 4.440 -8.659 273 HD3 LYS 31 HD1 LYS 31 0.484 5.765 -7.774 274 HE2 LYS 31 HE2 LYS 31 2.091 6.063 -9.593 275 HE3 LYS 31 HE1 LYS 31 1.340 4.733 -10.477 276 HZ1 LYS 31 HZ1 LYS 31 0.545 6.844 -11.294 277 HZ2 LYS 31 HZ2 LYS 31 0.039 7.302 -9.746 278 HZ3 LYS 31 HZ3 LYS 31 -0.724 6.018 -10.540 279 H TRP 32 HN TRP 32 4.499 1.745 -6.242 280 HA TRP 32 HA TRP 32 5.699 3.366 -4.275 281 HB2 TRP 32 HB2 TRP 32 6.920 2.079 -6.719 282 HB3 TRP 32 HB1 TRP 32 7.825 2.739 -5.364 283 HD1 TRP 32 HD1 TRP 32 6.634 -0.436 -6.617 284 HE1 TRP 32 HE1 TRP 32 6.578 -2.226 -4.770 285 HE3 TRP 32 HE3 TRP 32 7.029 2.600 -2.527 286 HZ2 TRP 32 HZ2 TRP 32 6.695 -2.339 -1.956 287 HZ3 TRP 32 HZ3 TRP 32 7.063 1.570 -0.294 288 HH2 TRP 32 HH2 TRP 32 6.892 -0.847 -0.016 289 H LYS 33 HN LYS 33 6.408 5.397 -4.290 290 HA LYS 33 HA LYS 33 5.618 7.225 -6.256 291 HB2 LYS 33 HB2 LYS 33 6.071 7.799 -3.895 292 HB3 LYS 33 HB1 LYS 33 7.790 7.571 -4.189 293 HG2 LYS 33 HG2 LYS 33 8.003 9.535 -5.284 294 HG3 LYS 33 HG1 LYS 33 6.392 9.441 -5.988 295 HD2 LYS 33 HD2 LYS 33 6.407 11.260 -4.443 296 HD3 LYS 33 HD1 LYS 33 5.457 9.949 -3.738 297 HE2 LYS 33 HE2 LYS 33 6.871 10.861 -2.030 298 HE3 LYS 33 HE1 LYS 33 7.468 9.259 -2.462 299 HZ1 LYS 33 HZ1 LYS 33 9.280 10.830 -2.246 300 HZ2 LYS 33 HZ2 LYS 33 8.587 11.840 -3.412 301 HZ3 LYS 33 HZ3 LYS 33 9.152 10.308 -3.851 302 H GLY 34 HN GLY 34 8.949 6.198 -5.457 303 HA2 GLY 34 HA2 GLY 34 9.999 7.425 -7.831 304 HA3 GLY 34 HA1 GLY 34 10.892 6.446 -6.681 305 H TRP 35 HN TRP 35 8.022 5.040 -8.005 306 HA TRP 35 HA TRP 35 9.547 3.690 -10.109 307 HB2 TRP 35 HB2 TRP 35 8.187 2.302 -7.814 308 HB3 TRP 35 HB1 TRP 35 8.541 1.481 -9.324 309 HD1 TRP 35 HD1 TRP 35 10.336 3.122 -6.336 310 HE1 TRP 35 HE1 TRP 35 12.710 2.140 -6.186 311 HE3 TRP 35 HE3 TRP 35 10.333 0.329 -10.619 312 HZ2 TRP 35 HZ2 TRP 35 14.362 0.408 -7.684 313 HZ3 TRP 35 HZ3 TRP 35 12.349 -0.962 -11.186 314 HH2 TRP 35 HH2 TRP 35 14.322 -0.922 -9.748 315 HA PRO 36 HA PRO 36 5.790 3.995 -12.389 316 HB2 PRO 36 HB2 PRO 36 6.343 1.468 -13.735 317 HB3 PRO 36 HB1 PRO 36 6.373 3.102 -14.390 318 HG2 PRO 36 HG2 PRO 36 8.605 1.614 -14.008 319 HG3 PRO 36 HG1 PRO 36 8.587 3.377 -13.937 320 HD2 PRO 36 HD2 PRO 36 8.638 1.388 -11.719 321 HD3 PRO 36 HD1 PRO 36 9.450 2.955 -11.850 322 HA PRO 37 HA PRO 37 2.673 1.430 -10.563 323 HB2 PRO 37 HB2 PRO 37 0.926 1.088 -12.652 324 HB3 PRO 37 HB1 PRO 37 1.014 2.555 -11.672 325 HG2 PRO 37 HG2 PRO 37 2.207 1.994 -14.358 326 HG3 PRO 37 HG1 PRO 37 1.411 3.466 -13.770 327 HD2 PRO 37 HD2 PRO 37 4.088 3.269 -13.933 328 HD3 PRO 37 HD1 PRO 37 3.295 4.180 -12.630 329 H LYS 38 HN LYS 38 4.390 0.484 -13.366 330 HA LYS 38 HA LYS 38 3.370 -2.152 -13.668 331 HB2 LYS 38 HB2 LYS 38 5.996 -0.931 -14.530 332 HB3 LYS 38 HB1 LYS 38 5.396 -2.500 -15.058 333 HG2 LYS 38 HG2 LYS 38 3.579 -1.499 -16.225 334 HG3 LYS 38 HG1 LYS 38 3.921 0.079 -15.519 335 HD2 LYS 38 HD2 LYS 38 5.735 -1.434 -17.391 336 HD3 LYS 38 HD1 LYS 38 4.698 -0.081 -17.843 337 HE2 LYS 38 HE2 LYS 38 5.926 1.297 -16.137 338 HE3 LYS 38 HE1 LYS 38 7.051 -0.048 -15.964 339 HZ1 LYS 38 HZ1 LYS 38 7.886 1.610 -17.507 340 HZ2 LYS 38 HZ2 LYS 38 6.516 1.431 -18.481 341 HZ3 LYS 38 HZ3 LYS 38 7.601 0.146 -18.306 342 H TYR 39 HN TYR 39 5.768 -0.691 -11.640 343 HA TYR 39 HA TYR 39 6.773 -3.305 -10.807 344 HB2 TYR 39 HB2 TYR 39 7.736 -0.492 -10.323 345 HB3 TYR 39 HB1 TYR 39 8.398 -1.871 -9.467 346 HD1 TYR 39 HD1 TYR 39 8.142 -0.188 -12.681 347 HD2 TYR 39 HD2 TYR 39 9.822 -3.482 -10.593 348 HE1 TYR 39 HE1 TYR 39 9.694 -0.564 -14.540 349 HE2 TYR 39 HE2 TYR 39 11.386 -3.873 -12.452 350 HH TYR 39 HH TYR 39 11.556 -3.393 -14.848 351 H SER 40 HN SER 40 4.175 -1.624 -10.060 352 HA SER 40 HA SER 40 4.158 -1.131 -7.343 353 HB2 SER 40 HB2 SER 40 1.939 -2.278 -9.034 354 HB3 SER 40 HB1 SER 40 1.731 -1.641 -7.406 355 HG SER 40 HG SER 40 2.916 -0.074 -9.427 356 H THR 41 HN THR 41 3.325 -2.426 -5.545 357 HA THR 41 HA THR 41 3.579 -5.314 -5.970 358 HB THR 41 HB THR 41 5.027 -5.619 -4.051 359 HG1 THR 41 HG1 THR 41 5.885 -3.167 -3.545 360 HG21 THR 41 HG21 THR 41 5.984 -5.053 -6.346 361 HG22 THR 41 HG22 THR 41 7.059 -4.828 -4.966 362 HG23 THR 41 HG23 THR 41 6.273 -3.435 -5.709 363 H TRP 42 HN TRP 42 2.617 -6.630 -4.363 364 HA TRP 42 HA TRP 42 0.368 -5.328 -3.055 365 HB2 TRP 42 HB2 TRP 42 1.048 -8.199 -3.650 366 HB3 TRP 42 HB1 TRP 42 -0.273 -7.769 -2.568 367 HD1 TRP 42 HD1 TRP 42 0.600 -8.052 -6.213 368 HE1 TRP 42 HE1 TRP 42 -1.452 -7.427 -7.637 369 HE3 TRP 42 HE3 TRP 42 -2.379 -6.109 -2.538 370 HZ2 TRP 42 HZ2 TRP 42 -3.995 -6.265 -7.247 371 HZ3 TRP 42 HZ3 TRP 42 -4.609 -5.267 -3.151 372 HH2 TRP 42 HH2 TRP 42 -5.390 -5.340 -5.468 373 H GLU 43 HN GLU 43 0.627 -4.612 -1.072 374 HA GLU 43 HA GLU 43 2.326 -6.151 0.775 375 HB2 GLU 43 HB2 GLU 43 1.745 -3.185 0.788 376 HB3 GLU 43 HB1 GLU 43 2.747 -4.036 1.956 377 HG2 GLU 43 HG2 GLU 43 3.303 -3.756 -0.988 378 HG3 GLU 43 HG1 GLU 43 4.108 -2.884 0.316 379 HA PRO 44 HA PRO 44 -1.588 -7.058 2.830 380 HB2 PRO 44 HB2 PRO 44 0.327 -7.483 5.077 381 HB3 PRO 44 HB1 PRO 44 -0.989 -8.516 4.511 382 HG2 PRO 44 HG2 PRO 44 1.557 -9.098 3.960 383 HG3 PRO 44 HG1 PRO 44 0.264 -9.397 2.788 384 HD2 PRO 44 HD2 PRO 44 2.352 -7.285 2.805 385 HD3 PRO 44 HD1 PRO 44 1.542 -8.064 1.431 386 H GLU 45 HN GLU 45 -2.863 -6.046 4.328 387 HA GLU 45 HA GLU 45 -2.483 -3.351 4.849 388 HB2 GLU 45 HB2 GLU 45 -4.657 -4.408 4.904 389 HB3 GLU 45 HB1 GLU 45 -4.196 -5.397 6.276 390 HG2 GLU 45 HG2 GLU 45 -4.154 -2.421 6.475 391 HG3 GLU 45 HG1 GLU 45 -5.671 -3.294 6.607 392 H GLU 46 HN GLU 46 -1.141 -6.081 6.370 393 HA GLU 46 HA GLU 46 -0.552 -4.821 8.896 394 HB2 GLU 46 HB2 GLU 46 0.433 -7.410 7.675 395 HB3 GLU 46 HB1 GLU 46 0.739 -6.892 9.330 396 HG2 GLU 46 HG2 GLU 46 -1.680 -6.921 9.765 397 HG3 GLU 46 HG1 GLU 46 -1.949 -7.496 8.120 398 H HIS 47 HN HIS 47 1.091 -5.493 5.863 399 HA HIS 47 HA HIS 47 3.684 -4.702 6.768 400 HB2 HIS 47 HB2 HIS 47 2.500 -5.223 4.052 401 HB3 HIS 47 HB1 HIS 47 4.133 -4.600 4.237 402 HD1 HIS 47 HD1 HIS 47 2.085 -7.570 5.469 403 HD2 HIS 47 HD2 HIS 47 5.971 -6.515 4.486 404 HE1 HIS 47 HE1 HIS 47 3.424 -9.692 5.668 405 HE2 HIS 47 HE2 HIS 47 5.780 -9.032 5.062 406 H ILE 48 HN ILE 48 0.989 -3.048 5.213 407 HA ILE 48 HA ILE 48 2.273 -0.696 4.407 408 HB ILE 48 HB ILE 48 -0.475 -0.737 5.680 409 HG12 ILE 48 HG12 ILE 48 -0.285 -2.553 3.980 410 HG13 ILE 48 HG11 ILE 48 -1.435 -1.303 3.537 411 HG21 ILE 48 HG21 ILE 48 -0.888 1.075 4.008 412 HG22 ILE 48 HG22 ILE 48 0.832 1.023 3.619 413 HG23 ILE 48 HG23 ILE 48 0.309 1.469 5.243 414 HD11 ILE 48 HD11 ILE 48 -0.132 -0.520 1.827 415 HD12 ILE 48 HD12 ILE 48 0.217 -2.249 1.778 416 HD13 ILE 48 HD13 ILE 48 1.361 -1.139 2.533 417 H LEU 49 HN LEU 49 3.748 0.139 5.706 418 HA LEU 49 HA LEU 49 3.635 0.182 8.530 419 HB2 LEU 49 HB2 LEU 49 5.323 1.949 6.798 420 HB3 LEU 49 HB1 LEU 49 5.669 1.416 8.421 421 HG LEU 49 HG LEU 49 5.465 -0.525 6.148 422 HD11 LEU 49 HD11 LEU 49 7.049 1.058 5.416 423 HD12 LEU 49 HD12 LEU 49 7.935 -0.349 6.001 424 HD13 LEU 49 HD13 LEU 49 7.836 1.109 6.990 425 HD21 LEU 49 HD21 LEU 49 5.419 -1.462 8.334 426 HD22 LEU 49 HD22 LEU 49 6.839 -0.548 8.823 427 HD23 LEU 49 HD23 LEU 49 6.976 -1.818 7.604 428 H ASP 50 HN ASP 50 1.748 1.883 6.486 429 HA ASP 50 HA ASP 50 1.384 3.995 8.468 430 HB2 ASP 50 HB2 ASP 50 2.711 4.473 6.066 431 HB3 ASP 50 HB1 ASP 50 1.072 5.056 5.779 432 HA PRO 51 HA PRO 51 -2.798 2.452 7.573 433 HB2 PRO 51 HB2 PRO 51 -3.433 4.287 9.785 434 HB3 PRO 51 HB1 PRO 51 -3.786 2.566 9.631 435 HG2 PRO 51 HG2 PRO 51 -1.930 3.435 11.341 436 HG3 PRO 51 HG1 PRO 51 -1.690 1.941 10.416 437 HD2 PRO 51 HD2 PRO 51 -0.559 4.666 9.924 438 HD3 PRO 51 HD1 PRO 51 0.230 3.079 9.834 439 H ARG 52 HN ARG 52 -1.410 5.583 7.614 440 HA ARG 52 HA ARG 52 -3.672 7.117 6.909 441 HB2 ARG 52 HB2 ARG 52 -0.741 7.459 6.942 442 HB3 ARG 52 HB1 ARG 52 -1.586 8.438 5.759 443 HG2 ARG 52 HG2 ARG 52 -2.352 8.368 8.661 444 HG3 ARG 52 HG1 ARG 52 -1.180 9.507 7.998 445 HD2 ARG 52 HD2 ARG 52 -2.878 10.354 6.454 446 HD3 ARG 52 HD1 ARG 52 -4.047 9.213 7.115 447 HE ARG 52 HE ARG 52 -3.471 10.488 9.312 448 HH11 ARG 52 HH11 ARG 52 -3.804 11.846 6.119 449 HH12 ARG 52 HH12 ARG 52 -4.331 13.393 6.692 450 HH21 ARG 52 HH21 ARG 52 -4.159 12.522 10.074 451 HH22 ARG 52 HH22 ARG 52 -4.532 13.777 8.940 452 H LEU 53 HN LEU 53 -1.335 5.202 5.169 453 HA LEU 53 HA LEU 53 -2.042 5.944 2.524 454 HB2 LEU 53 HB2 LEU 53 -0.702 3.549 3.765 455 HB3 LEU 53 HB1 LEU 53 -1.058 3.590 2.052 456 HG LEU 53 HG LEU 53 0.552 5.766 3.345 457 HD11 LEU 53 HD11 LEU 53 1.464 3.066 2.386 458 HD12 LEU 53 HD12 LEU 53 1.780 3.838 3.940 459 HD13 LEU 53 HD13 LEU 53 2.543 4.458 2.476 460 HD21 LEU 53 HD21 LEU 53 0.342 4.677 0.548 461 HD22 LEU 53 HD22 LEU 53 1.438 5.963 1.058 462 HD23 LEU 53 HD23 LEU 53 -0.307 6.211 1.130 463 H VAL 54 HN VAL 54 -3.115 3.498 4.786 464 HA VAL 54 HA VAL 54 -4.867 2.104 3.056 465 HB VAL 54 HB VAL 54 -4.633 2.281 6.054 466 HG11 VAL 54 HG11 VAL 54 -6.850 1.284 4.480 467 HG12 VAL 54 HG12 VAL 54 -6.746 1.579 6.211 468 HG13 VAL 54 HG13 VAL 54 -6.168 0.054 5.537 469 HG21 VAL 54 HG21 VAL 54 -3.832 0.369 3.923 470 HG22 VAL 54 HG22 VAL 54 -4.103 -0.217 5.565 471 HG23 VAL 54 HG23 VAL 54 -2.879 1.017 5.258 472 H MET 55 HN MET 55 -5.424 4.549 5.558 473 HA MET 55 HA MET 55 -8.184 4.788 5.261 474 HB2 MET 55 HB2 MET 55 -6.695 5.777 7.076 475 HB3 MET 55 HB1 MET 55 -6.347 7.066 5.947 476 HG2 MET 55 HG2 MET 55 -8.095 8.112 6.817 477 HG3 MET 55 HG1 MET 55 -9.079 6.962 5.925 478 HE1 MET 55 HE1 MET 55 -8.235 4.367 7.324 479 HE2 MET 55 HE2 MET 55 -9.990 4.526 7.219 480 HE3 MET 55 HE3 MET 55 -9.232 4.116 8.759 481 H ALA 56 HN ALA 56 -5.590 6.766 3.880 482 HA ALA 56 HA ALA 56 -7.066 8.453 2.276 483 HB1 ALA 56 HB1 ALA 56 -4.533 8.399 2.713 484 HB2 ALA 56 HB2 ALA 56 -5.090 8.939 1.130 485 HB3 ALA 56 HB3 ALA 56 -4.460 7.305 1.334 486 H TYR 57 HN TYR 57 -5.888 5.198 1.589 487 HA TYR 57 HA TYR 57 -6.582 4.946 -1.072 488 HB2 TYR 57 HB2 TYR 57 -5.338 3.207 0.018 489 HB3 TYR 57 HB1 TYR 57 -6.645 2.909 1.156 490 HD1 TYR 57 HD1 TYR 57 -5.854 2.785 -2.475 491 HD2 TYR 57 HD2 TYR 57 -8.208 1.248 0.712 492 HE1 TYR 57 HE1 TYR 57 -6.751 1.065 -3.975 493 HE2 TYR 57 HE2 TYR 57 -9.122 -0.474 -0.781 494 HH TYR 57 HH TYR 57 -9.446 -0.860 -3.167 495 H GLU 58 HN GLU 58 -8.547 4.006 1.737 496 HA GLU 58 HA GLU 58 -10.892 3.494 0.252 497 HB2 GLU 58 HB2 GLU 58 -10.912 4.261 3.115 498 HB3 GLU 58 HB1 GLU 58 -11.957 3.132 2.289 499 HG2 GLU 58 HG2 GLU 58 -10.094 1.579 2.068 500 HG3 GLU 58 HG1 GLU 58 -9.039 2.715 2.901 501 H GLU 59 HN GLU 59 -9.375 6.371 1.019 502 HA GLU 59 HA GLU 59 -11.772 7.972 1.267 503 HB2 GLU 59 HB2 GLU 59 -10.355 9.333 2.324 504 HB3 GLU 59 HB1 GLU 59 -9.003 8.300 1.881 505 HG2 GLU 59 HG2 GLU 59 -8.703 9.514 -0.178 506 HG3 GLU 59 HG1 GLU 59 -10.126 10.498 0.164 507 H LYS 60 HN LYS 60 -9.256 7.359 -1.163 508 HA LYS 60 HA LYS 60 -10.249 9.219 -3.057 509 HB2 LYS 60 HB2 LYS 60 -8.686 6.703 -3.635 510 HB3 LYS 60 HB1 LYS 60 -8.749 8.168 -4.603 511 HG2 LYS 60 HG2 LYS 60 -7.074 9.061 -3.472 512 HG3 LYS 60 HG1 LYS 60 -7.893 8.764 -1.936 513 HD2 LYS 60 HD2 LYS 60 -6.919 6.675 -1.684 514 HD3 LYS 60 HD1 LYS 60 -6.520 6.546 -3.389 515 HE2 LYS 60 HE2 LYS 60 -5.282 8.573 -1.544 516 HE3 LYS 60 HE1 LYS 60 -4.575 6.986 -1.847 517 HZ1 LYS 60 HZ1 LYS 60 -5.124 9.048 -3.914 518 HZ2 LYS 60 HZ2 LYS 60 -4.411 7.538 -4.186 519 HZ3 LYS 60 HZ3 LYS 60 -3.603 8.699 -3.258 520 H GLU 61 HN GLU 61 -10.755 5.766 -2.515 521 HA GLU 61 HA GLU 61 -12.390 5.326 -4.763 522 HB2 GLU 61 HB2 GLU 61 -12.107 3.860 -2.152 523 HB3 GLU 61 HB1 GLU 61 -13.176 3.309 -3.436 524 HG2 GLU 61 HG2 GLU 61 -11.254 3.199 -4.957 525 HG3 GLU 61 HG1 GLU 61 -10.199 3.677 -3.623 526 H GLU 62 HN GLU 62 -13.268 5.862 -1.348 527 HA GLU 62 HA GLU 62 -16.009 5.706 -1.608 528 HB2 GLU 62 HB2 GLU 62 -16.210 7.064 0.375 529 HB3 GLU 62 HB1 GLU 62 -14.828 5.994 0.549 530 HG2 GLU 62 HG2 GLU 62 -13.305 7.764 0.141 531 HG3 GLU 62 HG1 GLU 62 -14.607 8.851 -0.330 532 H ARG 63 HN ARG 63 -13.898 8.443 -2.290 533 HA ARG 63 HA ARG 63 -15.871 10.350 -2.851 534 HB2 ARG 63 HB2 ARG 63 -13.001 10.009 -3.498 535 HB3 ARG 63 HB1 ARG 63 -13.909 11.166 -4.457 536 HG2 ARG 63 HG2 ARG 63 -13.710 11.171 -1.452 537 HG3 ARG 63 HG1 ARG 63 -12.792 12.205 -2.542 538 HD2 ARG 63 HD2 ARG 63 -14.866 13.199 -3.363 539 HD3 ARG 63 HD1 ARG 63 -15.795 12.154 -2.288 540 HE ARG 63 HE ARG 63 -13.830 13.877 -1.021 541 HH11 ARG 63 HH11 ARG 63 -17.159 13.369 -1.922 542 HH12 ARG 63 HH12 ARG 63 -17.776 14.519 -0.783 543 HH21 ARG 63 HH21 ARG 63 -14.636 15.393 0.482 544 HH22 ARG 63 HH22 ARG 63 -16.342 15.670 0.582 545 H ASP 64 HN ASP 64 -14.079 8.236 -5.086 546 HA ASP 64 HA ASP 64 -15.670 9.049 -7.340 547 HB2 ASP 64 HB2 ASP 64 -13.261 8.410 -7.504 548 HB3 ASP 64 HB1 ASP 64 -13.726 6.758 -7.151 549 H ARG 65 HN ARG 65 -15.056 5.841 -5.934 550 HA ARG 65 HA ARG 65 -16.856 4.289 -7.144 551 HB2 ARG 65 HB2 ARG 65 -16.432 4.297 -4.176 552 HB3 ARG 65 HB1 ARG 65 -17.006 2.945 -5.143 553 HG2 ARG 65 HG2 ARG 65 -14.285 4.212 -5.186 554 HG3 ARG 65 HG1 ARG 65 -14.725 2.595 -4.688 555 HD2 ARG 65 HD2 ARG 65 -15.614 2.386 -7.130 556 HD3 ARG 65 HD1 ARG 65 -14.509 3.729 -7.414 557 HE ARG 65 HE ARG 65 -12.975 1.919 -6.112 558 HH11 ARG 65 HH11 ARG 65 -15.003 1.764 -8.944 559 HH12 ARG 65 HH12 ARG 65 -14.050 0.541 -9.716 560 HH21 ARG 65 HH21 ARG 65 -11.715 0.310 -7.125 561 HH22 ARG 65 HH22 ARG 65 -12.182 -0.285 -8.683 562 H ALA 66 HN ALA 66 -17.708 6.240 -4.256 563 HA ALA 66 HA ALA 66 -20.471 5.551 -4.442 564 HB1 ALA 66 HB1 ALA 66 -19.718 6.115 -2.306 565 HB2 ALA 66 HB2 ALA 66 -20.750 7.454 -2.795 566 HB3 ALA 66 HB3 ALA 66 -18.997 7.624 -2.854 567 H SER 67 HN SER 67 -21.249 6.028 -6.405 568 HA SER 67 HA SER 67 -21.924 8.803 -6.887 569 HB2 SER 67 HB2 SER 67 -19.786 8.630 -8.061 570 HB3 SER 67 HB1 SER 67 -20.360 7.208 -8.932 571 HG SER 67 HG SER 67 -21.593 8.439 -10.173 572 H GLY 68 HN GLY 68 -22.506 5.489 -7.114 573 HA2 GLY 68 HA2 GLY 68 -24.286 5.277 -9.256 574 HA3 GLY 68 HA1 GLY 68 -24.322 4.273 -7.815 575 H TYR 69 HN TYR 69 -24.989 6.005 -5.844 576 HA TYR 69 HA TYR 69 -27.536 7.182 -6.726 577 HB2 TYR 69 HB2 TYR 69 -27.008 5.463 -4.306 578 HB3 TYR 69 HB1 TYR 69 -28.446 6.465 -4.468 579 HD1 TYR 69 HD2 TYR 69 -30.133 5.945 -6.187 580 HD2 TYR 69 HD1 TYR 69 -26.776 3.411 -5.539 581 HE1 TYR 69 HE2 TYR 69 -31.257 4.145 -7.428 582 HE2 TYR 69 HE1 TYR 69 -27.889 1.609 -6.778 583 HH TYR 69 HH TYR 69 -30.246 0.951 -7.354 584 H ARG 70 HN ARG 70 -25.720 7.001 -3.685 585 HA ARG 70 HA ARG 70 -25.193 9.844 -3.736 586 HB2 ARG 70 HB2 ARG 70 -27.567 9.296 -2.717 587 HB3 ARG 70 HB1 ARG 70 -26.626 8.863 -1.301 588 HG2 ARG 70 HG2 ARG 70 -25.621 11.083 -1.302 589 HG3 ARG 70 HG1 ARG 70 -26.646 11.532 -2.667 590 HD2 ARG 70 HD2 ARG 70 -27.426 12.167 -0.317 591 HD3 ARG 70 HD1 ARG 70 -28.597 11.411 -1.391 592 HE ARG 70 HE ARG 70 -27.183 9.574 0.323 593 HH11 ARG 70 HH11 ARG 70 -29.953 11.661 -0.008 594 HH12 ARG 70 HH12 ARG 70 -30.886 10.829 1.191 595 HH21 ARG 70 HH21 ARG 70 -28.405 8.471 1.906 596 HH22 ARG 70 HH22 ARG 70 -30.006 9.016 2.279 597 H LYS 71 HN LYS 71 -24.949 9.656 -0.696 598 HA LYS 71 HA LYS 71 -22.309 8.380 -0.715 599 HB2 LYS 71 HB2 LYS 71 -22.412 10.764 -0.072 600 HB3 LYS 71 HB1 LYS 71 -23.479 10.347 1.262 601 HG2 LYS 71 HG2 LYS 71 -21.702 8.985 2.251 602 HG3 LYS 71 HG1 LYS 71 -20.632 9.424 0.921 603 HD2 LYS 71 HD2 LYS 71 -20.104 10.833 2.776 604 HD3 LYS 71 HD1 LYS 71 -20.938 11.820 1.574 605 HE2 LYS 71 HE2 LYS 71 -21.744 12.300 3.829 606 HE3 LYS 71 HE1 LYS 71 -23.019 11.604 2.829 607 HZ1 LYS 71 HZ1 LYS 71 -23.010 10.622 5.027 608 HZ2 LYS 71 HZ2 LYS 71 -21.397 10.144 4.845 609 HZ3 LYS 71 HZ3 LYS 71 -22.597 9.455 3.871 610 H1 ALA 15 HT1 ALA 15 -0.924 13.696 -17.597 611 H2 ALA 15 HT2 ALA 15 -1.434 15.300 -17.439 612 H3 ALA 15 HT3 ALA 15 -2.482 14.037 -17.030 613 HA ALA 15 HA ALA 15 -1.076 13.385 -15.209 614 HB1 ALA 15 HB1 ALA 15 1.040 14.080 -16.275 615 HB2 ALA 15 HB2 ALA 15 0.887 14.651 -14.613 616 HB3 ALA 15 HB3 ALA 15 0.618 15.764 -15.955 617 HA PRO 16 HA PRO 16 -4.013 16.718 -13.902 618 HB2 PRO 16 HB2 PRO 16 -5.507 15.119 -12.297 619 HB3 PRO 16 HB1 PRO 16 -5.792 15.271 -14.035 620 HG2 PRO 16 HG2 PRO 16 -4.322 13.135 -12.536 621 HG3 PRO 16 HG1 PRO 16 -5.485 12.970 -13.867 622 HD2 PRO 16 HD2 PRO 16 -2.813 12.814 -14.252 623 HD3 PRO 16 HD1 PRO 16 -3.912 13.488 -15.473 624 H ARG 17 HN ARG 17 -1.827 14.600 -12.342 625 HA ARG 17 HA ARG 17 -1.436 16.486 -10.195 626 HB2 ARG 17 HB2 ARG 17 -3.260 15.066 -9.322 627 HB3 ARG 17 HB1 ARG 17 -2.253 13.644 -9.558 628 HG2 ARG 17 HG2 ARG 17 -0.663 14.464 -7.923 629 HG3 ARG 17 HG1 ARG 17 -1.606 15.942 -7.721 630 HD2 ARG 17 HD2 ARG 17 -2.503 13.136 -7.075 631 HD3 ARG 17 HD1 ARG 17 -2.071 14.391 -5.914 632 HE ARG 17 HE ARG 17 -4.179 15.194 -7.673 633 HH11 ARG 17 HH11 ARG 17 -3.448 13.411 -4.771 634 HH12 ARG 17 HH12 ARG 17 -5.031 13.610 -4.095 635 HH21 ARG 17 HH21 ARG 17 -6.263 15.464 -6.793 636 HH22 ARG 17 HH22 ARG 17 -6.631 14.778 -5.245 637 H LYS 18 HN LYS 18 0.660 16.595 -9.701 638 HA LYS 18 HA LYS 18 2.366 14.260 -10.224 639 HB2 LYS 18 HB2 LYS 18 3.026 17.099 -11.029 640 HB3 LYS 18 HB1 LYS 18 4.080 15.704 -11.216 641 HG2 LYS 18 HG2 LYS 18 2.407 14.698 -12.735 642 HG3 LYS 18 HG1 LYS 18 1.454 16.175 -12.608 643 HD2 LYS 18 HD2 LYS 18 4.323 16.192 -13.503 644 HD3 LYS 18 HD1 LYS 18 2.991 15.947 -14.632 645 HE2 LYS 18 HE2 LYS 18 3.496 18.254 -14.700 646 HE3 LYS 18 HE1 LYS 18 2.013 18.103 -13.759 647 HZ1 LYS 18 HZ1 LYS 18 4.704 18.296 -12.529 648 HZ2 LYS 18 HZ2 LYS 18 3.205 18.433 -11.757 649 HZ3 LYS 18 HZ3 LYS 18 3.721 19.641 -12.821 650 H GLN 19 HN GLN 19 4.145 14.036 -8.885 651 HA GLN 19 HA GLN 19 5.330 14.173 -6.953 652 HB2 GLN 19 HB2 GLN 19 6.128 16.266 -7.982 653 HB3 GLN 19 HB1 GLN 19 4.795 17.136 -7.235 654 HG2 GLN 19 HG2 GLN 19 5.668 16.624 -5.029 655 HG3 GLN 19 HG1 GLN 19 6.978 15.690 -5.750 656 HE21 GLN 19 HE21 GLN 19 8.549 16.990 -4.811 657 HE22 GLN 19 HE22 GLN 19 8.874 18.592 -5.368 658 H LEU 20 HN LEU 20 3.942 13.071 -5.604 659 HA LEU 20 HA LEU 20 2.510 14.744 -3.680 660 HB2 LEU 20 HB2 LEU 20 0.791 14.037 -5.217 661 HB3 LEU 20 HB1 LEU 20 1.329 12.371 -5.117 662 HG LEU 20 HG LEU 20 0.663 12.347 -2.717 663 HD11 LEU 20 HD11 LEU 20 -0.820 14.135 -1.910 664 HD12 LEU 20 HD12 LEU 20 -0.485 15.056 -3.377 665 HD13 LEU 20 HD13 LEU 20 0.815 14.713 -2.234 666 HD21 LEU 20 HD21 LEU 20 -0.823 11.463 -4.428 667 HD22 LEU 20 HD22 LEU 20 -1.507 13.069 -4.682 668 HD23 LEU 20 HD23 LEU 20 -1.746 12.242 -3.142 669 H ALA 21 HN ALA 21 3.875 14.347 -2.015 670 HA ALA 21 HA ALA 21 4.529 11.568 -1.362 671 HB1 ALA 21 HB1 ALA 21 6.377 13.190 -1.481 672 HB2 ALA 21 HB2 ALA 21 6.218 12.475 0.122 673 HB3 ALA 21 HB3 ALA 21 5.633 14.112 -0.176 674 H THR 22 HN THR 22 2.815 10.712 -0.303 675 HA THR 22 HA THR 22 1.509 12.231 1.816 676 HB THR 22 HB THR 22 0.869 9.470 0.757 677 HG1 THR 22 HG1 THR 22 0.571 11.586 -0.556 678 HG21 THR 22 HG21 THR 22 -0.646 11.311 2.611 679 HG22 THR 22 HG22 THR 22 0.041 9.737 3.008 680 HG23 THR 22 HG23 THR 22 -1.313 9.850 1.885 681 H LYS 23 HN LYS 23 2.399 8.793 1.659 682 HA LYS 23 HA LYS 23 3.893 9.076 4.160 683 HB2 LYS 23 HB2 LYS 23 1.649 7.106 3.693 684 HB3 LYS 23 HB1 LYS 23 2.764 7.035 5.052 685 HG2 LYS 23 HG2 LYS 23 0.927 9.345 4.453 686 HG3 LYS 23 HG1 LYS 23 0.597 8.066 5.621 687 HD2 LYS 23 HD2 LYS 23 2.532 8.708 6.926 688 HD3 LYS 23 HD1 LYS 23 2.984 9.911 5.716 689 HE2 LYS 23 HE2 LYS 23 0.460 9.928 7.367 690 HE3 LYS 23 HE1 LYS 23 1.880 10.935 7.647 691 HZ1 LYS 23 HZ1 LYS 23 1.536 11.959 5.488 692 HZ2 LYS 23 HZ2 LYS 23 0.158 12.138 6.453 693 HZ3 LYS 23 HZ3 LYS 23 0.178 10.988 5.212 694 H ALA 24 HN ALA 24 4.326 6.316 4.573 695 HA ALA 24 HA ALA 24 5.483 5.314 2.092 696 HB1 ALA 24 HB1 ALA 24 7.709 5.031 3.116 697 HB2 ALA 24 HB2 ALA 24 7.154 5.943 4.519 698 HB3 ALA 24 HB3 ALA 24 7.247 6.722 2.940 699 H ALA 25 HN ALA 25 5.815 3.127 2.040 700 HA ALA 25 HA ALA 25 5.146 1.595 4.467 701 HB1 ALA 25 HB1 ALA 25 3.828 0.054 3.193 702 HB2 ALA 25 HB2 ALA 25 4.259 0.853 1.683 703 HB3 ALA 25 HB3 ALA 25 3.239 1.681 2.858 704 H ARG 26 HN ARG 26 5.514 -0.956 3.448 705 HA ARG 26 HA ARG 26 8.352 -0.908 2.644 706 HB2 ARG 26 HB2 ARG 26 8.628 -3.009 3.930 707 HB3 ARG 26 HB1 ARG 26 8.186 -1.641 4.939 708 HG2 ARG 26 HG2 ARG 26 6.020 -2.433 5.274 709 HG3 ARG 26 HG1 ARG 26 6.114 -3.536 3.900 710 HD2 ARG 26 HD2 ARG 26 6.253 -4.726 6.040 711 HD3 ARG 26 HD1 ARG 26 7.723 -4.912 5.085 712 HE ARG 26 HE ARG 26 8.281 -2.806 6.695 713 HH11 ARG 26 HH11 ARG 26 7.116 -6.038 7.276 714 HH12 ARG 26 HH12 ARG 26 7.853 -6.163 8.838 715 HH21 ARG 26 HH21 ARG 26 9.256 -2.962 8.755 716 HH22 ARG 26 HH22 ARG 26 9.068 -4.415 9.678 717 H MLY 27 HN MLY 27 9.099 -2.981 1.649 718 HA MLY 27 HA MLY 27 7.003 -4.101 -0.097 719 HB2 MLY 27 HB2 MLY 27 8.833 -2.626 -1.155 720 HB3 MLY 27 HB1 MLY 27 9.926 -3.962 -0.822 721 HG2 MLY 27 HG2 MLY 27 8.293 -5.418 -2.119 722 HG3 MLY 27 HG1 MLY 27 7.551 -3.912 -2.657 723 HD2 MLY 27 HD2 MLY 27 10.424 -4.736 -3.077 724 HD3 MLY 27 HD1 MLY 27 9.154 -4.726 -4.300 725 HE2 MLY 27 HE2 MLY 27 8.914 -2.252 -3.853 726 HE3 MLY 27 HE1 MLY 27 10.386 -2.366 -2.890 727 HH11 MLY 27 HH11 MLY 27 9.783 -0.789 -5.434 728 HH12 MLY 27 HH12 MLY 27 11.250 -0.683 -4.468 729 HH13 MLY 27 HH13 MLY 27 11.351 -1.099 -6.180 730 HH21 MLY 27 HH21 MLY 27 12.613 -3.047 -5.588 731 HH22 MLY 27 HH22 MLY 27 12.459 -2.743 -3.860 732 HH23 MLY 27 HH23 MLY 27 11.924 -4.282 -4.534 733 HZ MLY 27 HZ MLY 27 10.180 -3.158 -5.717 734 H SER 28 HN SER 28 6.592 -6.171 0.326 735 HA SER 28 HA SER 28 8.060 -7.743 2.113 736 HB2 SER 28 HB2 SER 28 6.682 -9.635 1.275 737 HB3 SER 28 HB1 SER 28 5.719 -8.207 1.650 738 HG SER 28 HG SER 28 6.411 -9.279 -0.857 739 H ALA 29 HN ALA 29 10.224 -7.775 1.553 740 HA ALA 29 HA ALA 29 12.121 -8.620 0.641 741 HB1 ALA 29 HB1 ALA 29 10.973 -10.771 0.906 742 HB2 ALA 29 HB2 ALA 29 12.021 -10.755 -0.512 743 HB3 ALA 29 HB3 ALA 29 10.275 -10.591 -0.704 744 HA PRO 30 HA PRO 30 12.727 -6.614 -3.241 745 HB2 PRO 30 HB2 PRO 30 14.744 -8.100 -4.349 746 HB3 PRO 30 HB1 PRO 30 14.990 -6.911 -3.066 747 HG2 PRO 30 HG2 PRO 30 14.730 -9.887 -2.869 748 HG3 PRO 30 HG1 PRO 30 15.858 -8.803 -2.033 749 HD2 PRO 30 HD2 PRO 30 13.668 -9.773 -0.815 750 HD3 PRO 30 HD1 PRO 30 14.270 -8.135 -0.487 Start of MODEL 8 1 H MET 1 HT1 MET 1 20.791 -18.610 3.774 2 HA MET 1 HA MET 1 22.426 -18.221 6.212 3 HB2 MET 1 HB2 MET 1 22.918 -17.723 3.308 4 HB3 MET 1 HB1 MET 1 23.597 -16.602 4.484 5 HG2 MET 1 HG2 MET 1 24.074 -19.578 4.380 6 HG3 MET 1 HG1 MET 1 25.196 -18.325 3.850 7 HE1 MET 1 HE1 MET 1 25.914 -20.671 5.894 8 HE2 MET 1 HE2 MET 1 26.842 -19.800 7.116 9 HE3 MET 1 HE3 MET 1 27.091 -19.450 5.406 10 H GLU 2 HN GLU 2 21.524 -16.103 3.544 11 HA GLU 2 HA GLU 2 20.442 -14.214 5.502 12 HB2 GLU 2 HB2 GLU 2 21.166 -13.676 2.624 13 HB3 GLU 2 HB1 GLU 2 20.870 -12.491 3.890 14 HG2 GLU 2 HG2 GLU 2 23.124 -14.478 3.928 15 HG3 GLU 2 HG1 GLU 2 23.267 -12.828 3.315 16 H LEU 3 HN LEU 3 19.363 -16.522 3.403 17 HA LEU 3 HA LEU 3 17.208 -15.260 2.105 18 HB2 LEU 3 HB2 LEU 3 17.557 -18.134 2.960 19 HB3 LEU 3 HB1 LEU 3 16.269 -17.564 1.916 20 HG LEU 3 HG LEU 3 19.220 -17.458 1.280 21 HD11 LEU 3 HD11 LEU 3 17.024 -19.200 0.170 22 HD12 LEU 3 HD12 LEU 3 18.321 -19.726 1.243 23 HD13 LEU 3 HD13 LEU 3 18.699 -19.161 -0.384 24 HD21 LEU 3 HD21 LEU 3 18.443 -16.810 -0.978 25 HD22 LEU 3 HD22 LEU 3 18.076 -15.602 0.251 26 HD23 LEU 3 HD23 LEU 3 16.804 -16.668 -0.343 27 H SER 4 HN SER 4 15.432 -14.419 2.897 28 HA SER 4 HA SER 4 13.566 -14.073 4.150 29 HB2 SER 4 HB2 SER 4 13.271 -16.529 4.219 30 HB3 SER 4 HB1 SER 4 14.315 -16.602 5.638 31 HG SER 4 HG SER 4 11.794 -16.358 5.732 32 H ALA 5 HN ALA 5 16.683 -14.063 5.231 33 HA ALA 5 HA ALA 5 16.284 -13.362 7.970 34 HB1 ALA 5 HB1 ALA 5 18.659 -12.836 6.185 35 HB2 ALA 5 HB2 ALA 5 18.409 -14.285 7.159 36 HB3 ALA 5 HB3 ALA 5 18.636 -12.723 7.944 37 H ILE 6 HN ILE 6 16.203 -11.703 4.955 38 HA ILE 6 HA ILE 6 16.668 -9.064 5.780 39 HB ILE 6 HB ILE 6 14.919 -10.086 3.538 40 HG12 ILE 6 HG12 ILE 6 17.743 -9.002 3.459 41 HG13 ILE 6 HG11 ILE 6 17.341 -10.716 3.457 42 HG21 ILE 6 HG21 ILE 6 14.247 -7.850 4.029 43 HG22 ILE 6 HG22 ILE 6 15.253 -7.802 2.581 44 HG23 ILE 6 HG23 ILE 6 15.923 -7.310 4.137 45 HD11 ILE 6 HD11 ILE 6 16.138 -10.424 1.349 46 HD12 ILE 6 HD12 ILE 6 17.828 -9.935 1.219 47 HD13 ILE 6 HD13 ILE 6 16.564 -8.712 1.350 48 H GLY 7 HN GLY 7 15.562 -7.869 7.177 49 HA2 GLY 7 HA2 GLY 7 12.716 -8.498 7.616 50 HA3 GLY 7 HA1 GLY 7 13.773 -7.753 8.802 51 H GLU 8 HN GLU 8 12.231 -7.228 5.675 52 HA GLU 8 HA GLU 8 11.391 -5.368 4.660 53 HB2 GLU 8 HB2 GLU 8 11.379 -4.394 7.522 54 HB3 GLU 8 HB1 GLU 8 10.687 -3.485 6.185 55 HG2 GLU 8 HG2 GLU 8 9.006 -5.087 5.831 56 HG3 GLU 8 HG1 GLU 8 9.836 -6.292 6.813 57 H GLN 9 HN GLN 9 11.744 -2.805 4.637 58 HA GLN 9 HA GLN 9 14.373 -1.927 5.307 59 HB2 GLN 9 HB2 GLN 9 15.223 -1.605 3.045 60 HB3 GLN 9 HB1 GLN 9 14.901 -3.307 3.341 61 HG2 GLN 9 HG2 GLN 9 12.811 -3.135 2.107 62 HG3 GLN 9 HG1 GLN 9 13.118 -1.425 1.818 63 HE21 GLN 9 HE21 GLN 9 14.772 -0.823 0.402 64 HE22 GLN 9 HE22 GLN 9 15.431 -1.929 -0.751 65 H VAL 10 HN VAL 10 11.285 -1.489 3.842 66 HA VAL 10 HA VAL 10 9.928 0.321 3.617 67 HB VAL 10 HB VAL 10 11.952 1.925 5.164 68 HG11 VAL 10 HG11 VAL 10 8.974 2.141 4.785 69 HG12 VAL 10 HG12 VAL 10 10.213 3.269 4.237 70 HG13 VAL 10 HG13 VAL 10 9.890 3.084 5.961 71 HG21 VAL 10 HG21 VAL 10 9.883 -0.014 6.201 72 HG22 VAL 10 HG22 VAL 10 10.644 1.234 7.193 73 HG23 VAL 10 HG23 VAL 10 11.628 -0.039 6.472 74 H PHE 11 HN PHE 11 9.594 1.881 2.087 75 HA PHE 11 HA PHE 11 11.957 3.049 0.802 76 HB2 PHE 11 HB2 PHE 11 9.950 1.280 -0.409 77 HB3 PHE 11 HB1 PHE 11 10.256 2.754 -1.319 78 HD1 PHE 11 HD2 PHE 11 13.046 3.247 -1.115 79 HD2 PHE 11 HD1 PHE 11 11.016 -0.480 -1.366 80 HE1 PHE 11 HE2 PHE 11 15.061 2.222 -2.086 81 HE2 PHE 11 HE1 PHE 11 13.028 -1.516 -2.338 82 HZ PHE 11 HZ PHE 11 15.054 -0.163 -2.699 83 H ALA 12 HN ALA 12 8.877 3.430 -0.674 84 HA ALA 12 HA ALA 12 7.899 5.664 0.719 85 HB1 ALA 12 HB1 ALA 12 8.501 7.328 -1.179 86 HB2 ALA 12 HB2 ALA 12 9.837 6.222 -1.491 87 HB3 ALA 12 HB3 ALA 12 9.682 6.998 0.087 88 H VAL 13 HN VAL 13 5.856 4.990 0.319 89 HA VAL 13 HA VAL 13 5.040 4.165 -2.333 90 HB VAL 13 HB VAL 13 3.546 4.376 0.281 91 HG11 VAL 13 HG11 VAL 13 1.798 3.076 -1.188 92 HG12 VAL 13 HG12 VAL 13 2.519 4.034 -2.483 93 HG13 VAL 13 HG13 VAL 13 1.787 4.837 -1.093 94 HG21 VAL 13 HG21 VAL 13 3.170 1.890 -0.556 95 HG22 VAL 13 HG22 VAL 13 4.552 2.360 0.446 96 HG23 VAL 13 HG23 VAL 13 4.742 2.192 -1.302 97 H GLU 14 HN GLU 14 4.285 5.503 -3.837 98 HA GLU 14 HA GLU 14 3.793 8.236 -3.463 99 HB2 GLU 14 HB2 GLU 14 4.170 7.189 -5.689 100 HB3 GLU 14 HB1 GLU 14 2.610 6.388 -5.561 101 HG2 GLU 14 HG2 GLU 14 2.434 8.315 -6.992 102 HG3 GLU 14 HG1 GLU 14 1.507 8.579 -5.515 103 H SER 15 HN SER 15 1.764 5.402 -3.522 104 HA SER 15 HA SER 15 0.031 5.859 -1.517 105 HB2 SER 15 HB2 SER 15 -0.896 7.323 -3.972 106 HB3 SER 15 HB1 SER 15 -2.055 6.616 -2.851 107 HG SER 15 HG SER 15 -1.787 8.363 -1.738 108 H ILE 16 HN ILE 16 -1.666 4.350 -1.423 109 HA ILE 16 HA ILE 16 -1.183 1.928 -2.683 110 HB ILE 16 HB ILE 16 -3.879 2.805 -1.625 111 HG12 ILE 16 HG12 ILE 16 -1.517 1.646 -0.135 112 HG13 ILE 16 HG11 ILE 16 -2.149 3.279 0.036 113 HG21 ILE 16 HG21 ILE 16 -4.229 0.459 -1.158 114 HG22 ILE 16 HG22 ILE 16 -2.616 0.068 -1.761 115 HG23 ILE 16 HG23 ILE 16 -3.848 0.676 -2.867 116 HD11 ILE 16 HD11 ILE 16 -2.770 1.442 1.747 117 HD12 ILE 16 HD12 ILE 16 -3.947 0.962 0.536 118 HD13 ILE 16 HD13 ILE 16 -3.988 2.588 1.211 119 H ARG 17 HN ARG 17 -2.638 0.736 -4.151 120 HA ARG 17 HA ARG 17 -3.922 2.469 -6.154 121 HB2 ARG 17 HB2 ARG 17 -1.741 0.557 -6.472 122 HB3 ARG 17 HB1 ARG 17 -3.087 0.231 -7.551 123 HG2 ARG 17 HG2 ARG 17 -2.952 2.640 -8.238 124 HG3 ARG 17 HG1 ARG 17 -1.428 2.721 -7.356 125 HD2 ARG 17 HD2 ARG 17 -0.563 0.876 -8.732 126 HD3 ARG 17 HD1 ARG 17 -2.080 0.851 -9.630 127 HE ARG 17 HE ARG 17 -0.179 3.105 -9.641 128 HH11 ARG 17 HH11 ARG 17 -2.618 1.146 -11.175 129 HH12 ARG 17 HH12 ARG 17 -2.544 2.004 -12.678 130 HH21 ARG 17 HH21 ARG 17 -0.077 4.241 -11.614 131 HH22 ARG 17 HH22 ARG 17 -1.099 3.763 -12.927 132 H LYS 18 HN LYS 18 -3.699 -0.786 -4.762 133 HA LYS 18 HA LYS 18 -6.560 -1.137 -5.320 134 HB2 LYS 18 HB2 LYS 18 -4.477 -3.248 -5.788 135 HB3 LYS 18 HB1 LYS 18 -6.197 -3.391 -6.080 136 HG2 LYS 18 HG2 LYS 18 -6.126 -1.945 -7.904 137 HG3 LYS 18 HG1 LYS 18 -4.540 -1.325 -7.456 138 HD2 LYS 18 HD2 LYS 18 -3.564 -3.516 -7.925 139 HD3 LYS 18 HD1 LYS 18 -5.148 -4.102 -8.409 140 HE2 LYS 18 HE2 LYS 18 -3.832 -1.746 -9.694 141 HE3 LYS 18 HE1 LYS 18 -3.602 -3.391 -10.279 142 HZ1 LYS 18 HZ1 LYS 18 -6.200 -1.963 -10.067 143 HZ2 LYS 18 HZ2 LYS 18 -5.999 -3.553 -10.608 144 HZ3 LYS 18 HZ3 LYS 18 -5.352 -2.269 -11.498 145 H LYS 19 HN LYS 19 -7.439 -3.102 -4.180 146 HA LYS 19 HA LYS 19 -6.031 -3.888 -1.758 147 HB2 LYS 19 HB2 LYS 19 -7.228 -2.110 -0.781 148 HB3 LYS 19 HB1 LYS 19 -8.662 -2.428 -1.746 149 HG2 LYS 19 HG2 LYS 19 -9.107 -4.434 -0.511 150 HG3 LYS 19 HG1 LYS 19 -7.597 -4.283 0.373 151 HD2 LYS 19 HD2 LYS 19 -8.444 -2.178 1.364 152 HD3 LYS 19 HD1 LYS 19 -9.973 -2.429 0.521 153 HE2 LYS 19 HE2 LYS 19 -10.275 -4.544 1.709 154 HE3 LYS 19 HE1 LYS 19 -8.754 -4.305 2.548 155 HZ1 LYS 19 HZ1 LYS 19 -9.689 -2.274 3.527 156 HZ2 LYS 19 HZ2 LYS 19 -10.570 -3.652 3.954 157 HZ3 LYS 19 HZ3 LYS 19 -11.171 -2.596 2.777 158 H ARG 20 HN ARG 20 -6.131 -6.041 -1.752 159 HA ARG 20 HA ARG 20 -8.654 -7.288 -2.584 160 HB2 ARG 20 HB2 ARG 20 -7.583 -8.923 -3.832 161 HB3 ARG 20 HB1 ARG 20 -6.604 -7.509 -4.174 162 HG2 ARG 20 HG2 ARG 20 -4.882 -8.236 -2.723 163 HG3 ARG 20 HG1 ARG 20 -5.898 -9.513 -2.049 164 HD2 ARG 20 HD2 ARG 20 -5.963 -10.584 -4.272 165 HD3 ARG 20 HD1 ARG 20 -4.872 -9.338 -4.877 166 HE ARG 20 HE ARG 20 -3.886 -10.770 -2.579 167 HH11 ARG 20 HH11 ARG 20 -4.067 -10.678 -6.059 168 HH12 ARG 20 HH12 ARG 20 -2.654 -11.654 -6.286 169 HH21 ARG 20 HH21 ARG 20 -2.027 -12.056 -2.869 170 HH22 ARG 20 HH22 ARG 20 -1.495 -12.438 -4.472 171 H VAL 21 HN VAL 21 -9.490 -8.763 -1.229 172 HA VAL 21 HA VAL 21 -7.883 -9.448 1.139 173 HB VAL 21 HB VAL 21 -10.861 -8.973 0.973 174 HG11 VAL 21 HG11 VAL 21 -9.273 -9.654 3.438 175 HG12 VAL 21 HG12 VAL 21 -10.154 -10.866 2.501 176 HG13 VAL 21 HG13 VAL 21 -11.028 -9.541 3.269 177 HG21 VAL 21 HG21 VAL 21 -8.927 -7.568 2.764 178 HG22 VAL 21 HG22 VAL 21 -10.508 -7.028 2.183 179 HG23 VAL 21 HG23 VAL 21 -9.123 -7.048 1.087 180 H ARG 22 HN ARG 22 -8.096 -11.535 2.014 181 HA ARG 22 HA ARG 22 -9.536 -13.516 0.398 182 HB2 ARG 22 HB2 ARG 22 -7.128 -13.506 -0.230 183 HB3 ARG 22 HB1 ARG 22 -6.714 -13.849 1.440 184 HG2 ARG 22 HG2 ARG 22 -8.135 -15.925 1.224 185 HG3 ARG 22 HG1 ARG 22 -8.150 -15.600 -0.510 186 HD2 ARG 22 HD2 ARG 22 -5.626 -15.513 -0.369 187 HD3 ARG 22 HD1 ARG 22 -5.788 -16.176 1.254 188 HE ARG 22 HE ARG 22 -7.108 -17.677 -0.842 189 HH11 ARG 22 HH11 ARG 22 -4.240 -17.266 1.095 190 HH12 ARG 22 HH12 ARG 22 -3.683 -18.887 0.843 191 HH21 ARG 22 HH21 ARG 22 -6.383 -19.811 -1.176 192 HH22 ARG 22 HH22 ARG 22 -4.901 -20.333 -0.447 193 H LYS 23 HN LYS 23 -11.102 -14.009 1.870 194 HA LYS 23 HA LYS 23 -12.075 -14.851 3.745 195 HB2 LYS 23 HB2 LYS 23 -9.302 -15.950 4.111 196 HB3 LYS 23 HB1 LYS 23 -10.623 -16.317 5.212 197 HG2 LYS 23 HG2 LYS 23 -11.798 -17.513 3.598 198 HG3 LYS 23 HG1 LYS 23 -10.887 -16.792 2.276 199 HD2 LYS 23 HD2 LYS 23 -10.123 -19.035 2.528 200 HD3 LYS 23 HD1 LYS 23 -8.860 -17.967 3.146 201 HE2 LYS 23 HE2 LYS 23 -9.069 -19.738 4.706 202 HE3 LYS 23 HE1 LYS 23 -9.826 -18.321 5.431 203 HZ1 LYS 23 HZ1 LYS 23 -11.279 -20.517 4.060 204 HZ2 LYS 23 HZ2 LYS 23 -11.984 -19.174 4.808 205 HZ3 LYS 23 HZ3 LYS 23 -11.160 -20.322 5.737 206 H GLY 24 HN GLY 24 -9.998 -12.417 3.702 207 HA2 GLY 24 HA2 GLY 24 -10.652 -10.721 5.466 208 HA3 GLY 24 HA1 GLY 24 -10.062 -11.925 6.598 209 H LYS 25 HN LYS 25 -8.015 -12.554 4.355 210 HA LYS 25 HA LYS 25 -5.920 -10.961 5.428 211 HB2 LYS 25 HB2 LYS 25 -5.887 -12.695 2.961 212 HB3 LYS 25 HB1 LYS 25 -4.486 -12.130 3.853 213 HG2 LYS 25 HG2 LYS 25 -5.028 -13.503 5.720 214 HG3 LYS 25 HG1 LYS 25 -6.598 -13.910 5.033 215 HD2 LYS 25 HD2 LYS 25 -5.223 -15.778 4.612 216 HD3 LYS 25 HD1 LYS 25 -5.337 -14.900 3.084 217 HE2 LYS 25 HE2 LYS 25 -3.176 -13.842 3.545 218 HE3 LYS 25 HE1 LYS 25 -3.054 -14.753 5.049 219 HZ1 LYS 25 HZ1 LYS 25 -3.221 -15.960 2.339 220 HZ2 LYS 25 HZ2 LYS 25 -3.018 -16.796 3.796 221 HZ3 LYS 25 HZ3 LYS 25 -1.796 -15.772 3.233 222 H VAL 26 HN VAL 26 -5.973 -8.828 4.996 223 HA VAL 26 HA VAL 26 -6.808 -7.858 2.408 224 HB VAL 26 HB VAL 26 -5.687 -6.305 4.732 225 HG11 VAL 26 HG11 VAL 26 -7.275 -5.395 2.340 226 HG12 VAL 26 HG12 VAL 26 -5.540 -5.161 2.557 227 HG13 VAL 26 HG13 VAL 26 -6.680 -4.371 3.646 228 HG21 VAL 26 HG21 VAL 26 -8.560 -6.316 4.022 229 HG22 VAL 26 HG22 VAL 26 -7.791 -6.031 5.583 230 HG23 VAL 26 HG23 VAL 26 -7.921 -7.673 4.949 231 H GLU 27 HN GLU 27 -5.577 -6.941 0.868 232 HA GLU 27 HA GLU 27 -2.702 -6.659 1.293 233 HB2 GLU 27 HB2 GLU 27 -3.981 -8.094 -1.042 234 HB3 GLU 27 HB1 GLU 27 -2.279 -7.685 -0.919 235 HG2 GLU 27 HG2 GLU 27 -2.004 -9.144 0.967 236 HG3 GLU 27 HG1 GLU 27 -3.735 -9.456 1.015 237 H TYR 28 HN TYR 28 -1.839 -4.887 0.227 238 HA TYR 28 HA TYR 28 -3.767 -3.307 -1.351 239 HB2 TYR 28 HB2 TYR 28 -1.758 -2.440 0.703 240 HB3 TYR 28 HB1 TYR 28 -2.457 -1.308 -0.441 241 HD1 TYR 28 HD1 TYR 28 -5.138 -1.439 -0.529 242 HD2 TYR 28 HD2 TYR 28 -2.743 -2.596 2.792 243 HE1 TYR 28 HE1 TYR 28 -7.047 -1.106 0.968 244 HE2 TYR 28 HE2 TYR 28 -4.654 -2.256 4.290 245 HH TYR 28 HH TYR 28 -7.829 -1.848 3.165 246 H LEU 29 HN LEU 29 -3.171 -3.000 -3.406 247 HA LEU 29 HA LEU 29 -0.491 -3.499 -4.304 248 HB2 LEU 29 HB2 LEU 29 -2.662 -3.837 -5.652 249 HB3 LEU 29 HB1 LEU 29 -2.670 -2.101 -5.864 250 HG LEU 29 HG LEU 29 -1.703 -3.599 -7.747 251 HD11 LEU 29 HD11 LEU 29 -1.629 -1.156 -7.639 252 HD12 LEU 29 HD12 LEU 29 -0.211 -1.853 -8.412 253 HD13 LEU 29 HD13 LEU 29 -0.111 -1.255 -6.755 254 HD21 LEU 29 HD21 LEU 29 0.658 -3.450 -5.904 255 HD22 LEU 29 HD22 LEU 29 0.678 -4.040 -7.564 256 HD23 LEU 29 HD23 LEU 29 -0.217 -4.918 -6.323 257 H VAL 30 HN VAL 30 0.840 -2.017 -3.234 258 HA VAL 30 HA VAL 30 0.203 0.781 -3.203 259 HB VAL 30 HB VAL 30 2.390 1.095 -2.158 260 HG11 VAL 30 HG11 VAL 30 1.984 -0.219 -0.131 261 HG12 VAL 30 HG12 VAL 30 0.823 -1.210 -1.013 262 HG13 VAL 30 HG13 VAL 30 0.501 0.505 -0.754 263 HG21 VAL 30 HG21 VAL 30 3.800 -0.842 -1.634 264 HG22 VAL 30 HG22 VAL 30 3.669 -0.571 -3.372 265 HG23 VAL 30 HG23 VAL 30 2.744 -1.864 -2.608 266 H LYS 31 HN LYS 31 0.932 2.394 -4.437 267 HA LYS 31 HA LYS 31 2.534 1.701 -6.787 268 HB2 LYS 31 HB2 LYS 31 0.381 2.869 -7.157 269 HB3 LYS 31 HB1 LYS 31 0.951 4.210 -6.172 270 HG2 LYS 31 HG2 LYS 31 2.764 4.601 -7.788 271 HG3 LYS 31 HG1 LYS 31 2.122 3.298 -8.790 272 HD2 LYS 31 HD2 LYS 31 -0.006 4.534 -8.983 273 HD3 LYS 31 HD1 LYS 31 0.696 5.851 -8.043 274 HE2 LYS 31 HE2 LYS 31 2.381 6.207 -9.749 275 HE3 LYS 31 HE1 LYS 31 1.771 4.833 -10.670 276 HZ1 LYS 31 HZ1 LYS 31 0.242 7.309 -10.071 277 HZ2 LYS 31 HZ2 LYS 31 -0.307 6.001 -10.993 278 HZ3 LYS 31 HZ3 LYS 31 0.979 6.947 -11.552 279 H TRP 32 HN TRP 32 4.637 1.829 -6.316 280 HA TRP 32 HA TRP 32 5.769 3.457 -4.322 281 HB2 TRP 32 HB2 TRP 32 7.043 2.126 -6.712 282 HB3 TRP 32 HB1 TRP 32 7.936 2.856 -5.388 283 HD1 TRP 32 HD1 TRP 32 6.813 -0.386 -6.503 284 HE1 TRP 32 HE1 TRP 32 6.787 -2.097 -4.584 285 HE3 TRP 32 HE3 TRP 32 7.107 2.828 -2.544 286 HZ2 TRP 32 HZ2 TRP 32 6.890 -2.087 -1.767 287 HZ3 TRP 32 HZ3 TRP 32 7.162 1.898 -0.268 288 HH2 TRP 32 HH2 TRP 32 7.041 -0.511 0.110 289 H LYS 33 HN LYS 33 6.547 5.470 -4.312 290 HA LYS 33 HA LYS 33 5.776 7.381 -6.160 291 HB2 LYS 33 HB2 LYS 33 6.398 7.951 -3.893 292 HB3 LYS 33 HB1 LYS 33 8.061 7.463 -4.192 293 HG2 LYS 33 HG2 LYS 33 8.568 9.371 -5.293 294 HG3 LYS 33 HG1 LYS 33 6.953 9.531 -5.981 295 HD2 LYS 33 HD2 LYS 33 7.276 11.318 -4.426 296 HD3 LYS 33 HD1 LYS 33 6.130 10.173 -3.726 297 HE2 LYS 33 HE2 LYS 33 8.007 9.157 -2.463 298 HE3 LYS 33 HE1 LYS 33 9.064 10.425 -3.080 299 HZ1 LYS 33 HZ1 LYS 33 8.276 10.979 -0.882 300 HZ2 LYS 33 HZ2 LYS 33 6.665 10.830 -1.376 301 HZ3 LYS 33 HZ3 LYS 33 7.631 12.068 -2.006 302 H GLY 34 HN GLY 34 9.196 6.524 -5.615 303 HA2 GLY 34 HA2 GLY 34 9.952 7.626 -8.149 304 HA3 GLY 34 HA1 GLY 34 11.006 6.803 -7.015 305 H TRP 35 HN TRP 35 8.115 5.206 -8.177 306 HA TRP 35 HA TRP 35 9.689 3.761 -10.175 307 HB2 TRP 35 HB2 TRP 35 8.266 2.473 -7.856 308 HB3 TRP 35 HB1 TRP 35 8.738 1.586 -9.296 309 HD1 TRP 35 HD1 TRP 35 10.257 3.359 -6.246 310 HE1 TRP 35 HE1 TRP 35 12.674 2.527 -5.944 311 HE3 TRP 35 HE3 TRP 35 10.702 0.582 -10.516 312 HZ2 TRP 35 HZ2 TRP 35 14.522 0.907 -7.329 313 HZ3 TRP 35 HZ3 TRP 35 12.827 -0.577 -10.952 314 HH2 TRP 35 HH2 TRP 35 14.697 -0.416 -9.391 315 HA PRO 36 HA PRO 36 5.999 3.944 -12.566 316 HB2 PRO 36 HB2 PRO 36 6.644 1.365 -13.778 317 HB3 PRO 36 HB1 PRO 36 6.639 2.965 -14.514 318 HG2 PRO 36 HG2 PRO 36 8.908 1.580 -14.022 319 HG3 PRO 36 HG1 PRO 36 8.828 3.344 -13.997 320 HD2 PRO 36 HD2 PRO 36 8.866 1.413 -11.724 321 HD3 PRO 36 HD1 PRO 36 9.654 2.991 -11.878 322 HA PRO 37 HA PRO 37 2.841 1.429 -10.732 323 HB2 PRO 37 HB2 PRO 37 1.592 1.142 -13.400 324 HB3 PRO 37 HB1 PRO 37 0.931 1.845 -11.922 325 HG2 PRO 37 HG2 PRO 37 1.655 3.382 -13.988 326 HG3 PRO 37 HG1 PRO 37 1.900 3.910 -12.313 327 HD2 PRO 37 HD2 PRO 37 3.882 2.811 -14.266 328 HD3 PRO 37 HD1 PRO 37 4.073 4.120 -13.080 329 H LYS 38 HN LYS 38 4.665 0.406 -13.443 330 HA LYS 38 HA LYS 38 3.707 -2.260 -13.667 331 HB2 LYS 38 HB2 LYS 38 6.337 -1.032 -14.515 332 HB3 LYS 38 HB1 LYS 38 5.753 -2.617 -15.011 333 HG2 LYS 38 HG2 LYS 38 3.970 -1.668 -16.253 334 HG3 LYS 38 HG1 LYS 38 4.258 -0.071 -15.565 335 HD2 LYS 38 HD2 LYS 38 6.179 -1.570 -17.339 336 HD3 LYS 38 HD1 LYS 38 5.100 -0.281 -17.876 337 HE2 LYS 38 HE2 LYS 38 6.206 1.205 -16.175 338 HE3 LYS 38 HE1 LYS 38 7.384 -0.080 -15.924 339 HZ1 LYS 38 HZ1 LYS 38 8.161 1.598 -17.503 340 HZ2 LYS 38 HZ2 LYS 38 6.855 1.257 -18.523 341 HZ3 LYS 38 HZ3 LYS 38 8.030 0.075 -18.230 342 H TYR 39 HN TYR 39 5.920 -0.670 -11.563 343 HA TYR 39 HA TYR 39 7.011 -3.226 -10.646 344 HB2 TYR 39 HB2 TYR 39 7.882 -0.373 -10.257 345 HB3 TYR 39 HB1 TYR 39 8.534 -1.681 -9.286 346 HD1 TYR 39 HD1 TYR 39 8.406 -0.191 -12.599 347 HD2 TYR 39 HD2 TYR 39 10.024 -3.338 -10.251 348 HE1 TYR 39 HE1 TYR 39 10.044 -0.650 -14.362 349 HE2 TYR 39 HE2 TYR 39 11.675 -3.815 -12.012 350 HH TYR 39 HH TYR 39 12.263 -1.700 -14.598 351 H SER 40 HN SER 40 4.329 -1.635 -10.016 352 HA SER 40 HA SER 40 4.247 -1.072 -7.304 353 HB2 SER 40 HB2 SER 40 2.082 -2.319 -9.004 354 HB3 SER 40 HB1 SER 40 1.837 -1.628 -7.405 355 HG SER 40 HG SER 40 2.210 0.367 -8.190 356 H THR 41 HN THR 41 3.346 -2.379 -5.517 357 HA THR 41 HA THR 41 3.715 -5.260 -5.891 358 HB THR 41 HB THR 41 5.120 -5.497 -3.931 359 HG1 THR 41 HG1 THR 41 5.985 -3.278 -3.179 360 HG21 THR 41 HG21 THR 41 6.130 -4.946 -6.199 361 HG22 THR 41 HG22 THR 41 7.155 -4.644 -4.797 362 HG23 THR 41 HG23 THR 41 6.338 -3.302 -5.598 363 H TRP 42 HN TRP 42 2.678 -6.585 -4.396 364 HA TRP 42 HA TRP 42 0.418 -5.325 -3.066 365 HB2 TRP 42 HB2 TRP 42 1.107 -8.171 -3.758 366 HB3 TRP 42 HB1 TRP 42 -0.211 -7.790 -2.657 367 HD1 TRP 42 HD1 TRP 42 0.661 -7.921 -6.311 368 HE1 TRP 42 HE1 TRP 42 -1.410 -7.292 -7.707 369 HE3 TRP 42 HE3 TRP 42 -2.350 -6.174 -2.559 370 HZ2 TRP 42 HZ2 TRP 42 -3.976 -6.197 -7.269 371 HZ3 TRP 42 HZ3 TRP 42 -4.597 -5.353 -3.140 372 HH2 TRP 42 HH2 TRP 42 -5.386 -5.365 -5.454 373 H GLU 43 HN GLU 43 0.648 -4.693 -1.043 374 HA GLU 43 HA GLU 43 2.268 -6.353 0.766 375 HB2 GLU 43 HB2 GLU 43 1.941 -3.560 1.571 376 HB3 GLU 43 HB1 GLU 43 3.391 -4.554 1.528 377 HG2 GLU 43 HG2 GLU 43 3.106 -4.183 -1.081 378 HG3 GLU 43 HG1 GLU 43 2.266 -2.739 -0.524 379 HA PRO 44 HA PRO 44 -1.694 -7.099 2.750 380 HB2 PRO 44 HB2 PRO 44 0.204 -7.492 5.028 381 HB3 PRO 44 HB1 PRO 44 -1.176 -8.480 4.531 382 HG2 PRO 44 HG2 PRO 44 1.302 -9.234 3.945 383 HG3 PRO 44 HG1 PRO 44 -0.014 -9.460 2.780 384 HD2 PRO 44 HD2 PRO 44 2.211 -7.488 2.767 385 HD3 PRO 44 HD1 PRO 44 1.346 -8.226 1.404 386 H GLU 45 HN GLU 45 -2.988 -6.101 4.241 387 HA GLU 45 HA GLU 45 -2.690 -3.374 4.610 388 HB2 GLU 45 HB2 GLU 45 -4.848 -4.385 4.675 389 HB3 GLU 45 HB1 GLU 45 -4.415 -5.398 6.039 390 HG2 GLU 45 HG2 GLU 45 -4.348 -2.433 6.314 391 HG3 GLU 45 HG1 GLU 45 -5.888 -3.274 6.351 392 H GLU 46 HN GLU 46 -1.375 -5.973 6.438 393 HA GLU 46 HA GLU 46 -0.880 -4.386 8.802 394 HB2 GLU 46 HB2 GLU 46 0.134 -7.130 8.076 395 HB3 GLU 46 HB1 GLU 46 0.219 -6.374 9.659 396 HG2 GLU 46 HG2 GLU 46 -1.577 -7.808 9.803 397 HG3 GLU 46 HG1 GLU 46 -2.320 -6.241 9.535 398 H HIS 47 HN HIS 47 0.773 -5.254 5.877 399 HA HIS 47 HA HIS 47 3.411 -4.647 6.824 400 HB2 HIS 47 HB2 HIS 47 2.226 -5.246 4.134 401 HB3 HIS 47 HB1 HIS 47 3.874 -4.641 4.263 402 HD1 HIS 47 HD1 HIS 47 1.752 -7.570 5.367 403 HD2 HIS 47 HD2 HIS 47 5.749 -6.518 4.955 404 HE1 HIS 47 HE1 HIS 47 3.049 -9.683 5.784 405 HE2 HIS 47 HE2 HIS 47 5.469 -9.007 5.596 406 H ILE 48 HN ILE 48 0.939 -2.829 5.009 407 HA ILE 48 HA ILE 48 2.496 -0.644 4.262 408 HB ILE 48 HB ILE 48 -0.366 -0.537 5.256 409 HG12 ILE 48 HG12 ILE 48 0.887 -1.298 2.656 410 HG13 ILE 48 HG11 ILE 48 -0.546 -1.942 3.441 411 HG21 ILE 48 HG21 ILE 48 -0.513 1.551 4.006 412 HG22 ILE 48 HG22 ILE 48 1.189 1.416 3.560 413 HG23 ILE 48 HG23 ILE 48 0.735 1.647 5.248 414 HD11 ILE 48 HD11 ILE 48 -0.275 0.260 1.521 415 HD12 ILE 48 HD12 ILE 48 -1.419 0.527 2.838 416 HD13 ILE 48 HD13 ILE 48 -1.597 -0.872 1.787 417 H LEU 49 HN LEU 49 3.890 0.268 5.533 418 HA LEU 49 HA LEU 49 3.742 0.348 8.357 419 HB2 LEU 49 HB2 LEU 49 5.500 2.042 6.625 420 HB3 LEU 49 HB1 LEU 49 5.814 1.514 8.255 421 HG LEU 49 HG LEU 49 5.587 -0.431 5.985 422 HD11 LEU 49 HD11 LEU 49 7.242 1.096 5.288 423 HD12 LEU 49 HD12 LEU 49 8.054 -0.352 5.880 424 HD13 LEU 49 HD13 LEU 49 8.000 1.104 6.879 425 HD21 LEU 49 HD21 LEU 49 5.463 -1.420 8.112 426 HD22 LEU 49 HD22 LEU 49 6.827 -0.489 8.717 427 HD23 LEU 49 HD23 LEU 49 7.077 -1.737 7.492 428 H ASP 50 HN ASP 50 1.912 2.070 6.274 429 HA ASP 50 HA ASP 50 1.601 4.232 8.215 430 HB2 ASP 50 HB2 ASP 50 3.100 4.770 6.087 431 HB3 ASP 50 HB1 ASP 50 1.520 5.010 5.340 432 HA PRO 51 HA PRO 51 -2.638 2.858 7.346 433 HB2 PRO 51 HB2 PRO 51 -3.263 4.890 9.376 434 HB3 PRO 51 HB1 PRO 51 -3.650 3.172 9.364 435 HG2 PRO 51 HG2 PRO 51 -1.809 4.161 11.027 436 HG3 PRO 51 HG1 PRO 51 -1.595 2.577 10.259 437 HD2 PRO 51 HD2 PRO 51 -0.371 5.209 9.527 438 HD3 PRO 51 HD1 PRO 51 0.370 3.599 9.608 439 H ARG 52 HN ARG 52 -1.416 6.178 7.494 440 HA ARG 52 HA ARG 52 -3.614 7.547 6.504 441 HB2 ARG 52 HB2 ARG 52 -0.669 7.974 6.348 442 HB3 ARG 52 HB1 ARG 52 -1.681 8.917 5.265 443 HG2 ARG 52 HG2 ARG 52 -1.241 10.171 7.269 444 HG3 ARG 52 HG1 ARG 52 -2.950 9.742 7.203 445 HD2 ARG 52 HD2 ARG 52 -2.196 9.394 9.437 446 HD3 ARG 52 HD1 ARG 52 -2.452 7.818 8.694 447 HE ARG 52 HE ARG 52 0.212 8.429 8.310 448 HH11 ARG 52 HH11 ARG 52 -1.934 7.970 11.016 449 HH12 ARG 52 HH12 ARG 52 -0.694 7.368 12.064 450 HH21 ARG 52 HH21 ARG 52 1.852 7.634 9.684 451 HH22 ARG 52 HH22 ARG 52 1.459 7.179 11.307 452 H LEU 53 HN LEU 53 -1.314 5.482 4.908 453 HA LEU 53 HA LEU 53 -2.032 6.029 2.224 454 HB2 LEU 53 HB2 LEU 53 -0.743 3.700 3.625 455 HB3 LEU 53 HB1 LEU 53 -1.121 3.623 1.919 456 HG LEU 53 HG LEU 53 0.561 5.846 3.031 457 HD11 LEU 53 HD11 LEU 53 1.476 3.128 2.103 458 HD12 LEU 53 HD12 LEU 53 1.653 3.804 3.722 459 HD13 LEU 53 HD13 LEU 53 2.532 4.516 2.369 460 HD21 LEU 53 HD21 LEU 53 0.183 4.592 0.321 461 HD22 LEU 53 HD22 LEU 53 1.428 5.790 0.692 462 HD23 LEU 53 HD23 LEU 53 -0.279 6.220 0.826 463 H VAL 54 HN VAL 54 -2.997 3.564 4.552 464 HA VAL 54 HA VAL 54 -4.875 2.201 2.980 465 HB VAL 54 HB VAL 54 -4.623 2.522 5.974 466 HG11 VAL 54 HG11 VAL 54 -6.788 1.417 4.432 467 HG12 VAL 54 HG12 VAL 54 -6.677 1.688 6.168 468 HG13 VAL 54 HG13 VAL 54 -6.053 0.194 5.462 469 HG21 VAL 54 HG21 VAL 54 -3.851 0.364 4.031 470 HG22 VAL 54 HG22 VAL 54 -3.833 0.153 5.781 471 HG23 VAL 54 HG23 VAL 54 -2.778 1.348 5.025 472 H MET 55 HN MET 55 -5.493 4.527 5.598 473 HA MET 55 HA MET 55 -8.182 4.864 5.329 474 HB2 MET 55 HB2 MET 55 -6.542 5.949 6.989 475 HB3 MET 55 HB1 MET 55 -6.384 7.217 5.794 476 HG2 MET 55 HG2 MET 55 -8.104 8.183 6.806 477 HG3 MET 55 HG1 MET 55 -9.092 6.950 6.038 478 HE1 MET 55 HE1 MET 55 -7.929 4.465 7.412 479 HE2 MET 55 HE2 MET 55 -9.693 4.477 7.489 480 HE3 MET 55 HE3 MET 55 -8.748 4.188 8.951 481 H ALA 56 HN ALA 56 -5.673 6.786 3.698 482 HA ALA 56 HA ALA 56 -7.351 8.374 2.145 483 HB1 ALA 56 HB1 ALA 56 -4.592 7.392 1.456 484 HB2 ALA 56 HB2 ALA 56 -4.965 8.820 2.419 485 HB3 ALA 56 HB3 ALA 56 -5.415 8.761 0.715 486 H TYR 57 HN TYR 57 -6.098 5.123 1.574 487 HA TYR 57 HA TYR 57 -6.863 4.846 -1.102 488 HB2 TYR 57 HB2 TYR 57 -5.446 3.192 0.023 489 HB3 TYR 57 HB1 TYR 57 -6.789 2.725 1.059 490 HD1 TYR 57 HD1 TYR 57 -5.596 2.754 -2.433 491 HD2 TYR 57 HD2 TYR 57 -8.398 1.170 0.329 492 HE1 TYR 57 HE1 TYR 57 -6.349 1.136 -4.137 493 HE2 TYR 57 HE2 TYR 57 -9.160 -0.453 -1.351 494 HH TYR 57 HH TYR 57 -9.184 -0.701 -3.791 495 H GLU 58 HN GLU 58 -8.602 4.006 1.873 496 HA GLU 58 HA GLU 58 -11.029 3.299 0.599 497 HB2 GLU 58 HB2 GLU 58 -10.750 4.273 3.400 498 HB3 GLU 58 HB1 GLU 58 -11.978 3.201 2.767 499 HG2 GLU 58 HG2 GLU 58 -9.081 2.446 2.788 500 HG3 GLU 58 HG1 GLU 58 -10.119 2.189 4.191 501 H GLU 59 HN GLU 59 -9.528 6.246 1.141 502 HA GLU 59 HA GLU 59 -11.905 7.852 1.422 503 HB2 GLU 59 HB2 GLU 59 -10.400 9.283 2.247 504 HB3 GLU 59 HB1 GLU 59 -9.091 8.217 1.757 505 HG2 GLU 59 HG2 GLU 59 -8.976 9.272 -0.398 506 HG3 GLU 59 HG1 GLU 59 -10.376 10.276 -0.018 507 H LYS 60 HN LYS 60 -9.636 6.977 -1.124 508 HA LYS 60 HA LYS 60 -10.716 8.688 -3.108 509 HB2 LYS 60 HB2 LYS 60 -9.259 6.089 -3.572 510 HB3 LYS 60 HB1 LYS 60 -9.371 7.462 -4.663 511 HG2 LYS 60 HG2 LYS 60 -7.708 8.547 -3.660 512 HG3 LYS 60 HG1 LYS 60 -8.247 8.091 -2.043 513 HD2 LYS 60 HD2 LYS 60 -6.305 6.912 -2.135 514 HD3 LYS 60 HD1 LYS 60 -7.391 5.716 -2.839 515 HE2 LYS 60 HE2 LYS 60 -5.394 5.868 -4.185 516 HE3 LYS 60 HE1 LYS 60 -6.762 6.516 -5.088 517 HZ1 LYS 60 HZ1 LYS 60 -4.813 7.919 -5.314 518 HZ2 LYS 60 HZ2 LYS 60 -4.733 8.129 -3.638 519 HZ3 LYS 60 HZ3 LYS 60 -6.047 8.749 -4.505 520 H GLU 61 HN GLU 61 -11.270 5.342 -2.157 521 HA GLU 61 HA GLU 61 -13.053 4.678 -4.231 522 HB2 GLU 61 HB2 GLU 61 -12.808 3.564 -1.439 523 HB3 GLU 61 HB1 GLU 61 -13.777 2.843 -2.718 524 HG2 GLU 61 HG2 GLU 61 -10.798 3.252 -2.788 525 HG3 GLU 61 HG1 GLU 61 -11.632 1.736 -2.468 526 H GLU 62 HN GLU 62 -13.721 5.673 -0.874 527 HA GLU 62 HA GLU 62 -16.489 5.655 -1.031 528 HB2 GLU 62 HB2 GLU 62 -16.514 7.159 0.862 529 HB3 GLU 62 HB1 GLU 62 -15.231 5.975 1.069 530 HG2 GLU 62 HG2 GLU 62 -13.571 7.580 0.444 531 HG3 GLU 62 HG1 GLU 62 -14.813 8.758 0.029 532 H ARG 63 HN ARG 63 -14.199 8.081 -2.113 533 HA ARG 63 HA ARG 63 -16.033 10.143 -2.654 534 HB2 ARG 63 HB2 ARG 63 -13.249 9.603 -3.160 535 HB3 ARG 63 HB1 ARG 63 -14.012 10.401 -4.521 536 HG2 ARG 63 HG2 ARG 63 -14.321 12.332 -3.413 537 HG3 ARG 63 HG1 ARG 63 -14.606 11.522 -1.869 538 HD2 ARG 63 HD2 ARG 63 -12.557 12.578 -1.560 539 HD3 ARG 63 HD1 ARG 63 -12.140 10.912 -1.962 540 HE ARG 63 HE ARG 63 -12.180 12.412 -4.325 541 HH11 ARG 63 HH11 ARG 63 -10.323 12.113 -1.391 542 HH12 ARG 63 HH12 ARG 63 -8.844 12.646 -2.119 543 HH21 ARG 63 HH21 ARG 63 -10.236 13.115 -5.292 544 HH22 ARG 63 HH22 ARG 63 -8.796 13.214 -4.336 545 H ASP 64 HN ASP 64 -14.693 7.609 -4.749 546 HA ASP 64 HA ASP 64 -16.405 8.384 -6.951 547 HB2 ASP 64 HB2 ASP 64 -14.070 7.542 -7.277 548 HB3 ASP 64 HB1 ASP 64 -14.615 5.971 -6.725 549 H ARG 65 HN ARG 65 -15.862 5.277 -5.313 550 HA ARG 65 HA ARG 65 -18.014 3.859 -6.144 551 HB2 ARG 65 HB2 ARG 65 -16.938 3.879 -3.323 552 HB3 ARG 65 HB1 ARG 65 -17.914 2.605 -4.035 553 HG2 ARG 65 HG2 ARG 65 -16.030 2.449 -5.792 554 HG3 ARG 65 HG1 ARG 65 -15.073 3.345 -4.606 555 HD2 ARG 65 HD2 ARG 65 -14.732 0.960 -4.336 556 HD3 ARG 65 HD1 ARG 65 -15.553 1.642 -2.934 557 HE ARG 65 HE ARG 65 -17.222 0.434 -4.989 558 HH11 ARG 65 HH11 ARG 65 -15.701 0.168 -1.863 559 HH12 ARG 65 HH12 ARG 65 -16.715 -1.135 -1.340 560 HH21 ARG 65 HH21 ARG 65 -18.558 -1.282 -4.308 561 HH22 ARG 65 HH22 ARG 65 -18.338 -1.960 -2.728 562 H ALA 66 HN ALA 66 -18.013 6.468 -3.823 563 HA ALA 66 HA ALA 66 -19.635 7.531 -2.652 564 HB1 ALA 66 HB1 ALA 66 -20.230 7.882 -5.086 565 HB2 ALA 66 HB2 ALA 66 -21.501 8.185 -3.900 566 HB3 ALA 66 HB3 ALA 66 -21.507 6.690 -4.839 567 H SER 67 HN SER 67 -22.007 5.322 -4.015 568 HA SER 67 HA SER 67 -22.102 3.598 -1.737 569 HB2 SER 67 HB2 SER 67 -23.149 5.579 -0.739 570 HB3 SER 67 HB1 SER 67 -24.317 5.638 -2.058 571 HG SER 67 HG SER 67 -24.043 3.323 -0.476 572 H GLY 68 HN GLY 68 -23.320 4.738 -4.764 573 HA2 GLY 68 HA2 GLY 68 -24.346 2.047 -5.318 574 HA3 GLY 68 HA1 GLY 68 -25.435 3.406 -5.549 575 H TYR 69 HN TYR 69 -24.317 1.435 -7.460 576 HA TYR 69 HA TYR 69 -22.433 2.776 -9.118 577 HB2 TYR 69 HB2 TYR 69 -23.129 1.026 -10.814 578 HB3 TYR 69 HB1 TYR 69 -22.507 0.408 -9.287 579 HD1 TYR 69 HD1 TYR 69 -23.970 -0.720 -7.715 580 HD2 TYR 69 HD2 TYR 69 -25.474 0.761 -11.406 581 HE1 TYR 69 HE1 TYR 69 -26.001 -2.064 -7.416 582 HE2 TYR 69 HE2 TYR 69 -27.517 -0.580 -11.119 583 HH TYR 69 HH TYR 69 -28.250 -2.582 -9.914 584 H ARG 70 HN ARG 70 -25.843 2.961 -8.744 585 HA ARG 70 HA ARG 70 -26.193 4.273 -11.337 586 HB2 ARG 70 HB2 ARG 70 -27.788 2.491 -10.183 587 HB3 ARG 70 HB1 ARG 70 -28.443 3.924 -9.408 588 HG2 ARG 70 HG2 ARG 70 -28.868 4.898 -11.625 589 HG3 ARG 70 HG1 ARG 70 -28.250 3.422 -12.366 590 HD2 ARG 70 HD2 ARG 70 -30.728 3.520 -12.229 591 HD3 ARG 70 HD1 ARG 70 -30.012 2.124 -11.425 592 HE ARG 70 HE ARG 70 -30.411 4.288 -9.619 593 HH11 ARG 70 HH11 ARG 70 -32.053 1.695 -11.270 594 HH12 ARG 70 HH12 ARG 70 -33.305 1.559 -10.081 595 HH21 ARG 70 HH21 ARG 70 -32.056 4.113 -8.048 596 HH22 ARG 70 HH22 ARG 70 -33.306 2.933 -8.251 597 H LYS 71 HN LYS 71 -28.331 5.957 -10.646 598 HA LYS 71 HA LYS 71 -26.936 7.991 -9.038 599 HB2 LYS 71 HB2 LYS 71 -27.211 8.600 -11.406 600 HB3 LYS 71 HB1 LYS 71 -28.949 8.377 -11.262 601 HG2 LYS 71 HG2 LYS 71 -29.069 10.210 -9.666 602 HG3 LYS 71 HG1 LYS 71 -27.319 10.421 -9.765 603 HD2 LYS 71 HD2 LYS 71 -27.532 10.937 -12.158 604 HD3 LYS 71 HD1 LYS 71 -29.282 10.752 -12.036 605 HE2 LYS 71 HE2 LYS 71 -28.618 13.106 -11.964 606 HE3 LYS 71 HE1 LYS 71 -29.383 12.601 -10.458 607 HZ1 LYS 71 HZ1 LYS 71 -26.453 12.820 -10.890 608 HZ2 LYS 71 HZ2 LYS 71 -27.219 12.412 -9.438 609 HZ3 LYS 71 HZ3 LYS 71 -27.405 13.964 -10.085 610 H1 ALA 15 HT1 ALA 15 12.050 16.840 -9.986 611 H2 ALA 15 HT2 ALA 15 11.182 18.027 -10.821 612 H3 ALA 15 HT3 ALA 15 10.521 16.484 -10.616 613 HA ALA 15 HA ALA 15 9.490 18.050 -9.116 614 HB1 ALA 15 HB1 ALA 15 9.693 15.723 -8.428 615 HB2 ALA 15 HB2 ALA 15 9.834 16.804 -7.040 616 HB3 ALA 15 HB3 ALA 15 11.277 16.057 -7.728 617 HA PRO 16 HA PRO 16 12.999 21.054 -8.357 618 HB2 PRO 16 HB2 PRO 16 10.579 22.796 -8.360 619 HB3 PRO 16 HB1 PRO 16 12.161 23.066 -9.101 620 HG2 PRO 16 HG2 PRO 16 10.079 22.389 -10.602 621 HG3 PRO 16 HG1 PRO 16 11.685 21.706 -10.925 622 HD2 PRO 16 HD2 PRO 16 9.319 20.448 -9.597 623 HD3 PRO 16 HD1 PRO 16 10.506 19.730 -10.706 624 H ARG 17 HN ARG 17 9.829 20.655 -6.844 625 HA ARG 17 HA ARG 17 10.982 20.700 -4.227 626 HB2 ARG 17 HB2 ARG 17 10.868 23.109 -4.621 627 HB3 ARG 17 HB1 ARG 17 9.163 22.978 -5.029 628 HG2 ARG 17 HG2 ARG 17 9.436 23.834 -2.784 629 HG3 ARG 17 HG1 ARG 17 8.675 22.242 -2.746 630 HD2 ARG 17 HD2 ARG 17 10.876 21.240 -2.245 631 HD3 ARG 17 HD1 ARG 17 11.579 22.856 -2.204 632 HE ARG 17 HE ARG 17 9.624 23.071 -0.394 633 HH11 ARG 17 HH11 ARG 17 12.059 20.624 -0.872 634 HH12 ARG 17 HH12 ARG 17 12.158 20.212 0.807 635 HH21 ARG 17 HH21 ARG 17 9.750 22.535 1.819 636 HH22 ARG 17 HH22 ARG 17 10.846 21.298 2.337 637 H LYS 18 HN LYS 18 7.743 21.749 -5.210 638 HA LYS 18 HA LYS 18 5.678 20.889 -4.824 639 HB2 LYS 18 HB2 LYS 18 7.168 18.282 -5.161 640 HB3 LYS 18 HB1 LYS 18 5.415 18.436 -5.141 641 HG2 LYS 18 HG2 LYS 18 5.477 19.798 -7.136 642 HG3 LYS 18 HG1 LYS 18 7.241 19.764 -7.134 643 HD2 LYS 18 HD2 LYS 18 7.223 17.367 -7.491 644 HD3 LYS 18 HD1 LYS 18 5.461 17.341 -7.392 645 HE2 LYS 18 HE2 LYS 18 7.094 18.789 -9.474 646 HE3 LYS 18 HE1 LYS 18 6.241 17.264 -9.713 647 HZ1 LYS 18 HZ1 LYS 18 4.992 19.879 -9.061 648 HZ2 LYS 18 HZ2 LYS 18 4.158 18.418 -9.236 649 HZ3 LYS 18 HZ3 LYS 18 4.951 19.101 -10.564 650 H GLN 19 HN GLN 19 4.559 18.941 -3.435 651 HA GLN 19 HA GLN 19 5.180 19.633 -0.718 652 HB2 GLN 19 HB2 GLN 19 2.861 19.387 -1.408 653 HB3 GLN 19 HB1 GLN 19 3.147 17.715 -1.871 654 HG2 GLN 19 HG2 GLN 19 1.993 17.845 0.256 655 HG3 GLN 19 HG1 GLN 19 3.596 17.138 0.451 656 HE21 GLN 19 HE21 GLN 19 3.057 20.555 -0.012 657 HE22 GLN 19 HE22 GLN 19 3.520 21.043 1.580 658 H LEU 20 HN LEU 20 4.652 16.397 -2.116 659 HA LEU 20 HA LEU 20 5.638 14.388 -1.723 660 HB2 LEU 20 HB2 LEU 20 8.033 16.116 -1.101 661 HB3 LEU 20 HB1 LEU 20 8.083 14.379 -1.329 662 HG LEU 20 HG LEU 20 7.181 16.314 -3.460 663 HD11 LEU 20 HD11 LEU 20 9.491 16.771 -2.951 664 HD12 LEU 20 HD12 LEU 20 9.391 15.898 -4.481 665 HD13 LEU 20 HD13 LEU 20 9.881 15.051 -3.013 666 HD21 LEU 20 HD21 LEU 20 7.526 14.403 -4.951 667 HD22 LEU 20 HD22 LEU 20 6.321 14.046 -3.712 668 HD23 LEU 20 HD23 LEU 20 7.956 13.400 -3.565 669 H ALA 21 HN ALA 21 4.207 14.114 0.094 670 HA ALA 21 HA ALA 21 5.220 14.700 2.743 671 HB1 ALA 21 HB1 ALA 21 2.717 13.246 1.896 672 HB2 ALA 21 HB2 ALA 21 2.839 14.966 2.268 673 HB3 ALA 21 HB3 ALA 21 3.108 13.768 3.534 674 H THR 22 HN THR 22 4.468 12.604 4.273 675 HA THR 22 HA THR 22 6.554 10.697 3.727 676 HB THR 22 HB THR 22 5.834 9.662 5.891 677 HG1 THR 22 HG1 THR 22 4.121 10.443 6.954 678 HG21 THR 22 HG21 THR 22 6.580 11.527 7.298 679 HG22 THR 22 HG22 THR 22 6.323 12.642 5.955 680 HG23 THR 22 HG23 THR 22 7.562 11.392 5.839 681 H LYS 23 HN LYS 23 4.070 9.084 5.306 682 HA LYS 23 HA LYS 23 2.866 7.232 4.774 683 HB2 LYS 23 HB2 LYS 23 2.305 8.950 2.355 684 HB3 LYS 23 HB1 LYS 23 1.480 7.430 2.669 685 HG2 LYS 23 HG2 LYS 23 0.029 9.083 3.455 686 HG3 LYS 23 HG1 LYS 23 0.800 8.438 4.906 687 HD2 LYS 23 HD2 LYS 23 2.361 10.327 4.909 688 HD3 LYS 23 HD1 LYS 23 1.591 10.967 3.455 689 HE2 LYS 23 HE2 LYS 23 0.288 10.584 6.148 690 HE3 LYS 23 HE1 LYS 23 0.783 12.121 5.439 691 HZ1 LYS 23 HZ1 LYS 23 -0.811 11.770 3.657 692 HZ2 LYS 23 HZ2 LYS 23 -1.585 11.740 5.161 693 HZ3 LYS 23 HZ3 LYS 23 -1.283 10.293 4.336 694 H ALA 24 HN ALA 24 4.754 5.911 4.648 695 HA ALA 24 HA ALA 24 5.362 5.041 1.898 696 HB1 ALA 24 HB1 ALA 24 7.658 4.607 2.555 697 HB2 ALA 24 HB2 ALA 24 7.314 5.163 4.194 698 HB3 ALA 24 HB3 ALA 24 7.247 6.298 2.845 699 H ALA 25 HN ALA 25 6.680 2.816 2.153 700 HA ALA 25 HA ALA 25 5.689 1.097 4.237 701 HB1 ALA 25 HB1 ALA 25 4.748 0.595 1.419 702 HB2 ALA 25 HB2 ALA 25 3.746 1.236 2.720 703 HB3 ALA 25 HB3 ALA 25 4.408 -0.394 2.839 704 H ARG 26 HN ARG 26 6.473 -1.153 3.975 705 HA ARG 26 HA ARG 26 9.164 -1.119 2.881 706 HB2 ARG 26 HB2 ARG 26 9.131 -3.494 3.996 707 HB3 ARG 26 HB1 ARG 26 9.252 -2.046 4.984 708 HG2 ARG 26 HG2 ARG 26 7.685 -3.605 5.958 709 HG3 ARG 26 HG1 ARG 26 6.844 -2.151 5.423 710 HD2 ARG 26 HD2 ARG 26 5.619 -4.217 4.878 711 HD3 ARG 26 HD1 ARG 26 6.056 -3.288 3.445 712 HE ARG 26 HE ARG 26 7.962 -5.329 4.114 713 HH11 ARG 26 HH11 ARG 26 4.980 -4.642 2.448 714 HH12 ARG 26 HH12 ARG 26 5.138 -5.969 1.349 715 HH21 ARG 26 HH21 ARG 26 8.176 -7.082 2.671 716 HH22 ARG 26 HH22 ARG 26 6.954 -7.357 1.476 717 H MLY 27 HN MLY 27 9.945 -3.263 1.896 718 HA MLY 27 HA MLY 27 7.958 -4.612 0.258 719 HB2 MLY 27 HB2 MLY 27 8.762 -2.507 -0.961 720 HB3 MLY 27 HB1 MLY 27 10.317 -3.315 -1.100 721 HG2 MLY 27 HG2 MLY 27 8.668 -5.238 -2.048 722 HG3 MLY 27 HG1 MLY 27 7.804 -3.784 -2.549 723 HD2 MLY 27 HD2 MLY 27 10.699 -4.407 -3.140 724 HD3 MLY 27 HD1 MLY 27 9.360 -4.564 -4.278 725 HE2 MLY 27 HE2 MLY 27 8.923 -2.115 -3.956 726 HE3 MLY 27 HE1 MLY 27 10.416 -2.034 -3.022 727 HH11 MLY 27 HH11 MLY 27 9.529 -0.740 -5.715 728 HH12 MLY 27 HH12 MLY 27 10.952 -0.323 -4.764 729 HH13 MLY 27 HH13 MLY 27 11.136 -0.864 -6.432 730 HH21 MLY 27 HH21 MLY 27 12.177 -3.753 -4.481 731 HH22 MLY 27 HH22 MLY 27 12.656 -2.604 -5.727 732 HH23 MLY 27 HH23 MLY 27 12.495 -2.070 -4.055 733 HZ MLY 27 HZ MLY 27 10.280 -3.032 -5.783 734 H SER 28 HN SER 28 9.492 -5.640 2.350 735 HA SER 28 HA SER 28 11.196 -7.511 0.873 736 HB2 SER 28 HB2 SER 28 11.974 -6.526 3.601 737 HB3 SER 28 HB1 SER 28 12.947 -7.438 2.454 738 HG SER 28 HG SER 28 13.487 -5.206 2.494 739 H ALA 29 HN ALA 29 10.530 -7.215 4.332 740 HA ALA 29 HA ALA 29 9.527 -8.594 5.832 741 HB1 ALA 29 HB1 ALA 29 7.550 -8.275 4.401 742 HB2 ALA 29 HB2 ALA 29 7.583 -9.870 5.155 743 HB3 ALA 29 HB3 ALA 29 8.024 -9.687 3.457 744 HA PRO 30 HA PRO 30 11.982 -12.242 6.079 745 HB2 PRO 30 HB2 PRO 30 9.636 -13.569 7.334 746 HB3 PRO 30 HB1 PRO 30 11.286 -13.392 7.939 747 HG2 PRO 30 HG2 PRO 30 9.307 -11.926 8.946 748 HG3 PRO 30 HG1 PRO 30 10.918 -11.229 8.692 749 HD2 PRO 30 HD2 PRO 30 8.427 -10.892 7.072 750 HD3 PRO 30 HD1 PRO 30 9.682 -9.700 7.476 Start of MODEL 9 1 H MET 1 HT1 MET 1 5.082 -10.536 15.961 2 HA MET 1 HA MET 1 4.908 -7.874 14.676 3 HB2 MET 1 HB2 MET 1 6.791 -9.082 16.645 4 HB3 MET 1 HB1 MET 1 7.461 -8.034 15.399 5 HG2 MET 1 HG2 MET 1 5.291 -7.291 17.356 6 HG3 MET 1 HG1 MET 1 6.987 -6.821 17.464 7 HE1 MET 1 HE1 MET 1 5.185 -3.459 16.547 8 HE2 MET 1 HE2 MET 1 6.341 -4.226 17.636 9 HE3 MET 1 HE3 MET 1 4.654 -4.740 17.637 10 H GLU 2 HN GLU 2 7.382 -10.384 14.954 11 HA GLU 2 HA GLU 2 7.637 -10.346 12.032 12 HB2 GLU 2 HB2 GLU 2 9.635 -11.388 14.036 13 HB3 GLU 2 HB1 GLU 2 9.908 -11.051 12.331 14 HG2 GLU 2 HG2 GLU 2 9.649 -8.688 12.712 15 HG3 GLU 2 HG1 GLU 2 9.220 -8.975 14.400 16 H LEU 3 HN LEU 3 7.328 -12.138 10.842 17 HA LEU 3 HA LEU 3 6.360 -14.523 12.215 18 HB2 LEU 3 HB2 LEU 3 6.398 -13.844 9.273 19 HB3 LEU 3 HB1 LEU 3 5.617 -15.241 9.990 20 HG LEU 3 HG LEU 3 4.848 -12.376 10.554 21 HD11 LEU 3 HD11 LEU 3 3.533 -14.422 8.771 22 HD12 LEU 3 HD12 LEU 3 4.381 -12.971 8.237 23 HD13 LEU 3 HD13 LEU 3 2.889 -12.828 9.167 24 HD21 LEU 3 HD21 LEU 3 3.521 -14.989 11.268 25 HD22 LEU 3 HD22 LEU 3 2.855 -13.384 11.564 26 HD23 LEU 3 HD23 LEU 3 4.329 -13.891 12.386 27 H SER 4 HN SER 4 8.946 -13.470 10.092 28 HA SER 4 HA SER 4 10.586 -15.699 10.874 29 HB2 SER 4 HB2 SER 4 10.995 -16.518 8.576 30 HB3 SER 4 HB1 SER 4 9.313 -16.744 9.058 31 HG SER 4 HG SER 4 10.410 -15.050 7.146 32 H ALA 5 HN ALA 5 12.554 -15.537 8.947 33 HA ALA 5 HA ALA 5 14.014 -13.304 9.722 34 HB1 ALA 5 HB1 ALA 5 14.368 -14.900 7.191 35 HB2 ALA 5 HB2 ALA 5 15.013 -15.339 8.773 36 HB3 ALA 5 HB3 ALA 5 15.581 -13.880 7.963 37 H ILE 6 HN ILE 6 12.176 -13.864 6.773 38 HA ILE 6 HA ILE 6 11.423 -12.502 5.121 39 HB ILE 6 HB ILE 6 11.237 -10.485 7.360 40 HG12 ILE 6 HG12 ILE 6 9.137 -12.422 6.371 41 HG13 ILE 6 HG11 ILE 6 10.146 -12.715 7.784 42 HG21 ILE 6 HG21 ILE 6 10.971 -9.436 5.200 43 HG22 ILE 6 HG22 ILE 6 9.402 -9.539 5.998 44 HG23 ILE 6 HG23 ILE 6 9.811 -10.670 4.709 45 HD11 ILE 6 HD11 ILE 6 8.028 -11.895 8.503 46 HD12 ILE 6 HD12 ILE 6 8.134 -10.513 7.413 47 HD13 ILE 6 HD13 ILE 6 9.232 -10.639 8.788 48 H GLY 7 HN GLY 7 12.859 -9.808 6.909 49 HA2 GLY 7 HA2 GLY 7 15.270 -9.320 6.075 50 HA3 GLY 7 HA1 GLY 7 14.460 -9.199 4.524 51 H GLU 8 HN GLU 8 12.383 -7.760 4.735 52 HA GLU 8 HA GLU 8 11.516 -5.673 4.958 53 HB2 GLU 8 HB2 GLU 8 13.085 -5.774 7.532 54 HB3 GLU 8 HB1 GLU 8 12.041 -4.430 7.093 55 HG2 GLU 8 HG2 GLU 8 10.114 -5.860 7.080 56 HG3 GLU 8 HG1 GLU 8 11.121 -7.283 7.339 57 H GLN 9 HN GLN 9 12.022 -3.383 4.829 58 HA GLN 9 HA GLN 9 14.679 -2.444 4.747 59 HB2 GLN 9 HB2 GLN 9 14.773 -1.999 2.291 60 HB3 GLN 9 HB1 GLN 9 14.961 -3.677 2.772 61 HG2 GLN 9 HG2 GLN 9 13.574 -3.805 0.991 62 HG3 GLN 9 HG1 GLN 9 12.468 -3.878 2.347 63 HE21 GLN 9 HE21 GLN 9 10.736 -3.151 1.093 64 HE22 GLN 9 HE22 GLN 9 10.603 -1.506 0.581 65 H VAL 10 HN VAL 10 11.363 -2.061 3.680 66 HA VAL 10 HA VAL 10 9.934 -0.294 3.711 67 HB VAL 10 HB VAL 10 12.040 1.120 5.342 68 HG11 VAL 10 HG11 VAL 10 10.048 2.370 6.214 69 HG12 VAL 10 HG12 VAL 10 9.108 1.638 4.913 70 HG13 VAL 10 HG13 VAL 10 10.463 2.699 4.532 71 HG21 VAL 10 HG21 VAL 10 9.717 -0.587 6.248 72 HG22 VAL 10 HG22 VAL 10 10.777 0.352 7.302 73 HG23 VAL 10 HG23 VAL 10 11.429 -1.000 6.377 74 H PHE 11 HN PHE 11 9.438 1.308 2.329 75 HA PHE 11 HA PHE 11 11.556 2.952 1.189 76 HB2 PHE 11 HB2 PHE 11 9.899 0.981 -0.324 77 HB3 PHE 11 HB1 PHE 11 10.283 2.509 -1.101 78 HD1 PHE 11 HD2 PHE 11 13.080 2.793 0.166 79 HD2 PHE 11 HD1 PHE 11 11.086 -0.414 -1.793 80 HE1 PHE 11 HE2 PHE 11 15.252 1.877 -0.534 81 HE2 PHE 11 HE1 PHE 11 13.257 -1.338 -2.499 82 HZ PHE 11 HZ PHE 11 15.344 -0.191 -1.868 83 H ALA 12 HN ALA 12 10.167 4.240 -0.755 84 HA ALA 12 HA ALA 12 8.151 5.697 0.800 85 HB1 ALA 12 HB1 ALA 12 8.513 7.341 -1.207 86 HB2 ALA 12 HB2 ALA 12 10.001 6.422 -1.425 87 HB3 ALA 12 HB3 ALA 12 9.693 7.254 0.099 88 H VAL 13 HN VAL 13 6.044 5.627 0.258 89 HA VAL 13 HA VAL 13 5.321 4.260 -2.249 90 HB VAL 13 HB VAL 13 3.401 4.807 -0.000 91 HG11 VAL 13 HG11 VAL 13 3.053 2.336 -1.394 92 HG12 VAL 13 HG12 VAL 13 3.181 3.660 -2.552 93 HG13 VAL 13 HG13 VAL 13 1.959 3.716 -1.280 94 HG21 VAL 13 HG21 VAL 13 3.837 2.476 0.747 95 HG22 VAL 13 HG22 VAL 13 5.141 3.617 1.092 96 HG23 VAL 13 HG23 VAL 13 5.290 2.485 -0.252 97 H GLU 14 HN GLU 14 4.381 5.366 -3.838 98 HA GLU 14 HA GLU 14 3.858 8.131 -3.688 99 HB2 GLU 14 HB2 GLU 14 4.295 6.928 -5.817 100 HB3 GLU 14 HB1 GLU 14 2.751 6.100 -5.651 101 HG2 GLU 14 HG2 GLU 14 2.559 7.916 -7.222 102 HG3 GLU 14 HG1 GLU 14 1.594 8.256 -5.787 103 H SER 15 HN SER 15 1.857 5.259 -3.556 104 HA SER 15 HA SER 15 0.100 5.795 -1.615 105 HB2 SER 15 HB2 SER 15 -0.768 7.262 -4.081 106 HB3 SER 15 HB1 SER 15 -1.960 6.574 -2.982 107 HG SER 15 HG SER 15 -1.304 7.909 -1.393 108 H ILE 16 HN ILE 16 -1.469 4.204 -1.412 109 HA ILE 16 HA ILE 16 -1.126 1.850 -2.847 110 HB ILE 16 HB ILE 16 -3.431 2.798 -1.160 111 HG12 ILE 16 HG12 ILE 16 -1.440 0.565 -0.727 112 HG13 ILE 16 HG11 ILE 16 -1.243 2.184 -0.099 113 HG21 ILE 16 HG21 ILE 16 -4.358 0.586 -1.270 114 HG22 ILE 16 HG22 ILE 16 -3.105 0.067 -2.388 115 HG23 ILE 16 HG23 ILE 16 -4.291 1.275 -2.885 116 HD11 ILE 16 HD11 ILE 16 -3.019 1.953 1.395 117 HD12 ILE 16 HD12 ILE 16 -2.168 0.416 1.468 118 HD13 ILE 16 HD13 ILE 16 -3.658 0.557 0.539 119 H ARG 17 HN ARG 17 -2.220 0.870 -4.491 120 HA ARG 17 HA ARG 17 -3.781 2.651 -6.230 121 HB2 ARG 17 HB2 ARG 17 -1.719 0.629 -6.701 122 HB3 ARG 17 HB1 ARG 17 -3.116 0.456 -7.751 123 HG2 ARG 17 HG2 ARG 17 -2.839 2.855 -8.355 124 HG3 ARG 17 HG1 ARG 17 -1.318 2.846 -7.463 125 HD2 ARG 17 HD2 ARG 17 -0.545 0.988 -8.903 126 HD3 ARG 17 HD1 ARG 17 -2.038 1.123 -9.828 127 HE ARG 17 HE ARG 17 -0.101 3.333 -9.633 128 HH11 ARG 17 HH11 ARG 17 -2.208 1.264 -11.485 129 HH12 ARG 17 HH12 ARG 17 -1.910 2.086 -12.980 130 HH21 ARG 17 HH21 ARG 17 0.298 4.417 -11.596 131 HH22 ARG 17 HH22 ARG 17 -0.486 3.879 -13.042 132 H LYS 18 HN LYS 18 -3.604 -0.674 -4.999 133 HA LYS 18 HA LYS 18 -6.505 -0.894 -5.423 134 HB2 LYS 18 HB2 LYS 18 -4.525 -3.056 -6.080 135 HB3 LYS 18 HB1 LYS 18 -6.263 -3.130 -6.284 136 HG2 LYS 18 HG2 LYS 18 -6.246 -1.673 -8.081 137 HG3 LYS 18 HG1 LYS 18 -4.656 -1.032 -7.667 138 HD2 LYS 18 HD2 LYS 18 -3.624 -3.125 -8.279 139 HD3 LYS 18 HD1 LYS 18 -5.200 -3.830 -8.605 140 HE2 LYS 18 HE2 LYS 18 -4.203 -1.401 -10.032 141 HE3 LYS 18 HE1 LYS 18 -3.875 -3.030 -10.615 142 HZ1 LYS 18 HZ1 LYS 18 -5.826 -2.053 -11.675 143 HZ2 LYS 18 HZ2 LYS 18 -6.577 -1.875 -10.169 144 HZ3 LYS 18 HZ3 LYS 18 -6.244 -3.420 -10.770 145 H LYS 19 HN LYS 19 -7.288 -3.052 -4.401 146 HA LYS 19 HA LYS 19 -5.831 -3.790 -1.991 147 HB2 LYS 19 HB2 LYS 19 -7.179 -2.064 -1.063 148 HB3 LYS 19 HB1 LYS 19 -8.596 -2.591 -1.952 149 HG2 LYS 19 HG2 LYS 19 -8.606 -4.674 -0.631 150 HG3 LYS 19 HG1 LYS 19 -7.235 -4.069 0.292 151 HD2 LYS 19 HD2 LYS 19 -8.547 -2.265 1.159 152 HD3 LYS 19 HD1 LYS 19 -9.898 -2.672 0.100 153 HE2 LYS 19 HE2 LYS 19 -10.064 -4.861 1.240 154 HE3 LYS 19 HE1 LYS 19 -8.805 -4.356 2.353 155 HZ1 LYS 19 HZ1 LYS 19 -11.453 -3.055 2.017 156 HZ2 LYS 19 HZ2 LYS 19 -10.234 -2.526 3.064 157 HZ3 LYS 19 HZ3 LYS 19 -10.978 -4.023 3.321 158 H ARG 20 HN ARG 20 -5.906 -5.921 -1.745 159 HA ARG 20 HA ARG 20 -8.235 -7.373 -2.783 160 HB2 ARG 20 HB2 ARG 20 -7.004 -8.617 -4.181 161 HB3 ARG 20 HB1 ARG 20 -5.714 -7.452 -3.934 162 HG2 ARG 20 HG2 ARG 20 -5.182 -8.987 -1.869 163 HG3 ARG 20 HG1 ARG 20 -6.046 -10.176 -2.817 164 HD2 ARG 20 HD2 ARG 20 -4.555 -9.732 -4.721 165 HD3 ARG 20 HD1 ARG 20 -3.654 -8.594 -3.722 166 HE ARG 20 HE ARG 20 -3.646 -10.957 -2.324 167 HH11 ARG 20 HH11 ARG 20 -2.595 -9.898 -5.473 168 HH12 ARG 20 HH12 ARG 20 -1.302 -11.046 -5.570 169 HH21 ARG 20 HH21 ARG 20 -1.948 -12.472 -2.443 170 HH22 ARG 20 HH22 ARG 20 -0.935 -12.511 -3.847 171 H VAL 21 HN VAL 21 -9.026 -8.912 -1.461 172 HA VAL 21 HA VAL 21 -7.555 -9.402 1.040 173 HB VAL 21 HB VAL 21 -10.536 -9.073 0.667 174 HG11 VAL 21 HG11 VAL 21 -9.082 -9.720 3.224 175 HG12 VAL 21 HG12 VAL 21 -9.919 -10.930 2.245 176 HG13 VAL 21 HG13 VAL 21 -10.826 -9.605 2.975 177 HG21 VAL 21 HG21 VAL 21 -8.775 -7.582 2.572 178 HG22 VAL 21 HG22 VAL 21 -10.349 -7.120 1.913 179 HG23 VAL 21 HG23 VAL 21 -8.914 -7.071 0.886 180 H ARG 22 HN ARG 22 -7.757 -11.479 1.980 181 HA ARG 22 HA ARG 22 -8.910 -13.568 0.265 182 HB2 ARG 22 HB2 ARG 22 -6.375 -13.338 0.035 183 HB3 ARG 22 HB1 ARG 22 -6.284 -13.893 1.696 184 HG2 ARG 22 HG2 ARG 22 -7.402 -15.969 1.077 185 HG3 ARG 22 HG1 ARG 22 -7.498 -15.411 -0.595 186 HD2 ARG 22 HD2 ARG 22 -5.050 -15.309 -0.691 187 HD3 ARG 22 HD1 ARG 22 -4.966 -15.888 0.973 188 HE ARG 22 HE ARG 22 -6.448 -17.659 -0.697 189 HH11 ARG 22 HH11 ARG 22 -3.216 -16.697 0.185 190 HH12 ARG 22 HH12 ARG 22 -2.514 -18.228 -0.217 191 HH21 ARG 22 HH21 ARG 22 -5.532 -19.675 -1.228 192 HH22 ARG 22 HH22 ARG 22 -3.830 -19.921 -1.021 193 H LYS 23 HN LYS 23 -10.636 -14.025 1.584 194 HA LYS 23 HA LYS 23 -11.782 -14.866 3.364 195 HB2 LYS 23 HB2 LYS 23 -9.047 -15.925 4.038 196 HB3 LYS 23 HB1 LYS 23 -10.492 -16.336 4.952 197 HG2 LYS 23 HG2 LYS 23 -11.387 -17.586 3.230 198 HG3 LYS 23 HG1 LYS 23 -10.433 -16.759 2.003 199 HD2 LYS 23 HD2 LYS 23 -9.579 -18.991 2.292 200 HD3 LYS 23 HD1 LYS 23 -8.402 -17.830 2.911 201 HE2 LYS 23 HE2 LYS 23 -8.542 -19.621 4.480 202 HE3 LYS 23 HE1 LYS 23 -9.337 -18.215 5.185 203 HZ1 LYS 23 HZ1 LYS 23 -10.730 -20.475 3.857 204 HZ2 LYS 23 HZ2 LYS 23 -11.471 -19.142 4.586 205 HZ3 LYS 23 HZ3 LYS 23 -10.610 -20.249 5.530 206 H GLY 24 HN GLY 24 -9.738 -12.416 3.498 207 HA2 GLY 24 HA2 GLY 24 -10.589 -10.735 5.215 208 HA3 GLY 24 HA1 GLY 24 -10.022 -11.922 6.378 209 H LYS 25 HN LYS 25 -7.804 -12.522 4.350 210 HA LYS 25 HA LYS 25 -5.844 -10.816 5.495 211 HB2 LYS 25 HB2 LYS 25 -5.605 -12.610 3.082 212 HB3 LYS 25 HB1 LYS 25 -4.277 -11.962 4.027 213 HG2 LYS 25 HG2 LYS 25 -4.881 -13.292 5.913 214 HG3 LYS 25 HG1 LYS 25 -6.368 -13.820 5.122 215 HD2 LYS 25 HD2 LYS 25 -4.804 -15.593 4.890 216 HD3 LYS 25 HD1 LYS 25 -4.934 -14.800 3.317 217 HE2 LYS 25 HE2 LYS 25 -2.814 -13.960 5.247 218 HE3 LYS 25 HE1 LYS 25 -2.586 -15.408 4.266 219 HZ1 LYS 25 HZ1 LYS 25 -3.051 -12.644 3.282 220 HZ2 LYS 25 HZ2 LYS 25 -3.001 -14.010 2.288 221 HZ3 LYS 25 HZ3 LYS 25 -1.623 -13.542 3.150 222 H VAL 26 HN VAL 26 -5.953 -8.691 4.999 223 HA VAL 26 HA VAL 26 -6.739 -7.816 2.375 224 HB VAL 26 HB VAL 26 -5.695 -6.180 4.678 225 HG11 VAL 26 HG11 VAL 26 -7.240 -5.346 2.227 226 HG12 VAL 26 HG12 VAL 26 -5.514 -5.076 2.481 227 HG13 VAL 26 HG13 VAL 26 -6.693 -4.288 3.529 228 HG21 VAL 26 HG21 VAL 26 -8.544 -6.279 3.882 229 HG22 VAL 26 HG22 VAL 26 -7.833 -5.923 5.456 230 HG23 VAL 26 HG23 VAL 26 -7.899 -7.587 4.871 231 H GLU 27 HN GLU 27 -5.563 -6.683 0.922 232 HA GLU 27 HA GLU 27 -2.669 -6.462 1.226 233 HB2 GLU 27 HB2 GLU 27 -4.131 -7.870 -0.996 234 HB3 GLU 27 HB1 GLU 27 -2.486 -7.310 -1.172 235 HG2 GLU 27 HG2 GLU 27 -2.763 -8.829 1.239 236 HG3 GLU 27 HG1 GLU 27 -3.362 -9.746 -0.139 237 H TYR 28 HN TYR 28 -1.761 -4.917 -0.346 238 HA TYR 28 HA TYR 28 -3.760 -3.193 -1.604 239 HB2 TYR 28 HB2 TYR 28 -1.737 -2.329 0.447 240 HB3 TYR 28 HB1 TYR 28 -2.482 -1.200 -0.663 241 HD1 TYR 28 HD1 TYR 28 -5.123 -1.323 -0.728 242 HD2 TYR 28 HD2 TYR 28 -2.734 -2.626 2.541 243 HE1 TYR 28 HE1 TYR 28 -7.047 -1.087 0.768 244 HE2 TYR 28 HE2 TYR 28 -4.655 -2.376 4.042 245 HH TYR 28 HH TYR 28 -7.820 -1.978 2.939 246 H LEU 29 HN LEU 29 -3.183 -3.064 -3.688 247 HA LEU 29 HA LEU 29 -0.556 -3.533 -4.634 248 HB2 LEU 29 HB2 LEU 29 -2.771 -3.688 -5.952 249 HB3 LEU 29 HB1 LEU 29 -2.668 -1.950 -6.102 250 HG LEU 29 HG LEU 29 -1.834 -3.439 -8.047 251 HD11 LEU 29 HD11 LEU 29 -1.604 -0.998 -7.827 252 HD12 LEU 29 HD12 LEU 29 -0.280 -1.759 -8.706 253 HD13 LEU 29 HD13 LEU 29 -0.053 -1.246 -7.032 254 HD21 LEU 29 HD21 LEU 29 0.582 -3.485 -6.270 255 HD22 LEU 29 HD22 LEU 29 0.506 -4.050 -7.937 256 HD23 LEU 29 HD23 LEU 29 -0.403 -4.888 -6.677 257 H VAL 30 HN VAL 30 0.728 -2.169 -3.333 258 HA VAL 30 HA VAL 30 0.316 0.644 -3.225 259 HB VAL 30 HB VAL 30 2.654 0.658 -2.252 260 HG11 VAL 30 HG11 VAL 30 1.929 -0.302 -0.138 261 HG12 VAL 30 HG12 VAL 30 0.619 -1.152 -0.960 262 HG13 VAL 30 HG13 VAL 30 0.618 0.609 -0.887 263 HG21 VAL 30 HG21 VAL 30 3.635 -1.453 -1.613 264 HG22 VAL 30 HG22 VAL 30 3.423 -1.406 -3.363 265 HG23 VAL 30 HG23 VAL 30 2.303 -2.333 -2.363 266 H LYS 31 HN LYS 31 0.953 2.195 -4.524 267 HA LYS 31 HA LYS 31 2.642 1.554 -6.814 268 HB2 LYS 31 HB2 LYS 31 0.534 2.786 -7.202 269 HB3 LYS 31 HB1 LYS 31 1.101 4.078 -6.151 270 HG2 LYS 31 HG2 LYS 31 3.016 4.407 -7.723 271 HG3 LYS 31 HG1 LYS 31 2.240 3.254 -8.811 272 HD2 LYS 31 HD2 LYS 31 0.241 4.698 -8.870 273 HD3 LYS 31 HD1 LYS 31 1.074 5.864 -7.841 274 HE2 LYS 31 HE2 LYS 31 1.918 4.987 -10.601 275 HE3 LYS 31 HE1 LYS 31 1.196 6.537 -10.174 276 HZ1 LYS 31 HZ1 LYS 31 3.814 5.534 -9.188 277 HZ2 LYS 31 HZ2 LYS 31 3.125 7.033 -8.819 278 HZ3 LYS 31 HZ3 LYS 31 3.603 6.690 -10.406 279 H TRP 32 HN TRP 32 4.743 1.686 -6.416 280 HA TRP 32 HA TRP 32 5.879 3.206 -4.319 281 HB2 TRP 32 HB2 TRP 32 7.162 1.875 -6.711 282 HB3 TRP 32 HB1 TRP 32 8.037 2.496 -5.318 283 HD1 TRP 32 HD1 TRP 32 6.676 -0.629 -6.584 284 HE1 TRP 32 HE1 TRP 32 6.387 -2.364 -4.704 285 HE3 TRP 32 HE3 TRP 32 7.171 2.460 -2.557 286 HZ2 TRP 32 HZ2 TRP 32 6.367 -2.410 -1.878 287 HZ3 TRP 32 HZ3 TRP 32 7.006 1.502 -0.298 288 HH2 TRP 32 HH2 TRP 32 6.605 -0.881 0.032 289 H LYS 33 HN LYS 33 6.791 5.168 -4.258 290 HA LYS 33 HA LYS 33 6.030 7.241 -5.828 291 HB2 LYS 33 HB2 LYS 33 8.552 6.903 -4.226 292 HB3 LYS 33 HB1 LYS 33 8.127 8.421 -5.001 293 HG2 LYS 33 HG2 LYS 33 5.841 7.726 -3.620 294 HG3 LYS 33 HG1 LYS 33 7.150 7.257 -2.538 295 HD2 LYS 33 HD2 LYS 33 6.845 9.963 -3.831 296 HD3 LYS 33 HD1 LYS 33 6.396 9.577 -2.169 297 HE2 LYS 33 HE2 LYS 33 8.666 9.124 -1.588 298 HE3 LYS 33 HE1 LYS 33 9.172 9.216 -3.274 299 HZ1 LYS 33 HZ1 LYS 33 9.739 11.230 -2.072 300 HZ2 LYS 33 HZ2 LYS 33 8.117 11.475 -1.658 301 HZ3 LYS 33 HZ3 LYS 33 8.599 11.565 -3.277 302 H GLY 34 HN GLY 34 9.490 6.542 -5.957 303 HA2 GLY 34 HA2 GLY 34 9.629 7.525 -8.648 304 HA3 GLY 34 HA1 GLY 34 10.965 6.901 -7.696 305 H TRP 35 HN TRP 35 7.964 5.213 -8.539 306 HA TRP 35 HA TRP 35 9.450 3.540 -10.422 307 HB2 TRP 35 HB2 TRP 35 7.903 2.484 -8.060 308 HB3 TRP 35 HB1 TRP 35 8.485 1.489 -9.385 309 HD1 TRP 35 HD1 TRP 35 9.740 3.458 -6.349 310 HE1 TRP 35 HE1 TRP 35 12.134 2.684 -5.805 311 HE3 TRP 35 HE3 TRP 35 10.559 0.454 -10.404 312 HZ2 TRP 35 HZ2 TRP 35 14.109 1.019 -6.946 313 HZ3 TRP 35 HZ3 TRP 35 12.727 -0.693 -10.603 314 HH2 TRP 35 HH2 TRP 35 14.464 -0.415 -8.909 315 HA PRO 36 HA PRO 36 5.637 3.703 -12.601 316 HB2 PRO 36 HB2 PRO 36 6.118 1.750 -14.424 317 HB3 PRO 36 HB1 PRO 36 6.897 3.321 -14.483 318 HG2 PRO 36 HG2 PRO 36 7.988 0.736 -13.698 319 HG3 PRO 36 HG1 PRO 36 8.815 2.157 -14.316 320 HD2 PRO 36 HD2 PRO 36 8.673 1.315 -11.652 321 HD3 PRO 36 HD1 PRO 36 9.347 2.821 -12.240 322 HA PRO 37 HA PRO 37 2.724 0.789 -11.040 323 HB2 PRO 37 HB2 PRO 37 1.302 0.118 -13.327 324 HB3 PRO 37 HB1 PRO 37 1.000 1.532 -12.316 325 HG2 PRO 37 HG2 PRO 37 2.541 1.320 -14.866 326 HG3 PRO 37 HG1 PRO 37 1.448 2.606 -14.317 327 HD2 PRO 37 HD2 PRO 37 4.102 2.912 -14.219 328 HD3 PRO 37 HD1 PRO 37 3.057 3.549 -12.930 329 H LYS 38 HN LYS 38 4.810 -0.100 -13.639 330 HA LYS 38 HA LYS 38 4.085 -2.829 -13.863 331 HB2 LYS 38 HB2 LYS 38 6.735 -1.525 -14.481 332 HB3 LYS 38 HB1 LYS 38 6.193 -3.094 -15.061 333 HG2 LYS 38 HG2 LYS 38 4.542 -2.123 -16.441 334 HG3 LYS 38 HG1 LYS 38 4.723 -0.548 -15.673 335 HD2 LYS 38 HD2 LYS 38 6.852 -1.929 -17.298 336 HD3 LYS 38 HD1 LYS 38 5.783 -0.662 -17.902 337 HE2 LYS 38 HE2 LYS 38 6.658 0.814 -16.073 338 HE3 LYS 38 HE1 LYS 38 7.848 -0.439 -15.723 339 HZ1 LYS 38 HZ1 LYS 38 8.689 -0.221 -17.980 340 HZ2 LYS 38 HZ2 LYS 38 8.770 1.258 -17.163 341 HZ3 LYS 38 HZ3 LYS 38 7.555 0.992 -18.309 342 H TYR 39 HN TYR 39 6.085 -1.087 -11.622 343 HA TYR 39 HA TYR 39 7.161 -3.601 -10.565 344 HB2 TYR 39 HB2 TYR 39 7.955 -0.741 -9.992 345 HB3 TYR 39 HB1 TYR 39 8.708 -2.161 -9.287 346 HD1 TYR 39 HD1 TYR 39 8.124 -0.340 -12.376 347 HD2 TYR 39 HD2 TYR 39 10.363 -3.411 -10.506 348 HE1 TYR 39 HE1 TYR 39 9.613 -0.385 -14.305 349 HE2 TYR 39 HE2 TYR 39 11.885 -3.491 -12.443 350 HH TYR 39 HH TYR 39 11.914 -1.085 -14.847 351 H SER 40 HN SER 40 4.481 -1.855 -10.098 352 HA SER 40 HA SER 40 4.247 -1.293 -7.401 353 HB2 SER 40 HB2 SER 40 2.073 -2.676 -8.985 354 HB3 SER 40 HB1 SER 40 1.872 -1.559 -7.639 355 HG SER 40 HG SER 40 2.954 0.016 -9.075 356 H THR 41 HN THR 41 3.304 -2.570 -5.632 357 HA THR 41 HA THR 41 3.579 -5.466 -5.997 358 HB THR 41 HB THR 41 4.892 -5.744 -3.972 359 HG1 THR 41 HG1 THR 41 5.766 -3.304 -3.473 360 HG21 THR 41 HG21 THR 41 6.030 -5.318 -6.182 361 HG22 THR 41 HG22 THR 41 6.999 -4.944 -4.758 362 HG23 THR 41 HG23 THR 41 6.234 -3.643 -5.670 363 H TRP 42 HN TRP 42 2.567 -6.753 -4.380 364 HA TRP 42 HA TRP 42 0.265 -5.407 -3.177 365 HB2 TRP 42 HB2 TRP 42 0.859 -8.277 -3.866 366 HB3 TRP 42 HB1 TRP 42 -0.483 -7.843 -2.814 367 HD1 TRP 42 HD1 TRP 42 0.491 -8.063 -6.429 368 HE1 TRP 42 HE1 TRP 42 -1.493 -7.328 -7.897 369 HE3 TRP 42 HE3 TRP 42 -2.505 -6.054 -2.802 370 HZ2 TRP 42 HZ2 TRP 42 -3.999 -6.066 -7.556 371 HZ3 TRP 42 HZ3 TRP 42 -4.682 -5.116 -3.460 372 HH2 TRP 42 HH2 TRP 42 -5.402 -5.117 -5.796 373 H GLU 43 HN GLU 43 0.826 -4.618 -1.226 374 HA GLU 43 HA GLU 43 2.268 -6.395 0.612 375 HB2 GLU 43 HB2 GLU 43 1.864 -3.405 0.803 376 HB3 GLU 43 HB1 GLU 43 2.848 -4.389 1.877 377 HG2 GLU 43 HG2 GLU 43 3.346 -3.911 -1.052 378 HG3 GLU 43 HG1 GLU 43 4.234 -3.196 0.294 379 HA PRO 44 HA PRO 44 -1.581 -7.148 2.741 380 HB2 PRO 44 HB2 PRO 44 0.273 -7.477 5.050 381 HB3 PRO 44 HB1 PRO 44 -1.016 -8.544 4.479 382 HG2 PRO 44 HG2 PRO 44 1.522 -9.140 4.014 383 HG3 PRO 44 HG1 PRO 44 0.289 -9.427 2.776 384 HD2 PRO 44 HD2 PRO 44 2.342 -7.265 2.946 385 HD3 PRO 44 HD1 PRO 44 1.711 -8.113 1.520 386 H GLU 45 HN GLU 45 -2.889 -6.119 4.190 387 HA GLU 45 HA GLU 45 -2.542 -3.379 4.564 388 HB2 GLU 45 HB2 GLU 45 -4.724 -4.359 4.511 389 HB3 GLU 45 HB1 GLU 45 -4.386 -5.360 5.909 390 HG2 GLU 45 HG2 GLU 45 -4.285 -2.388 6.124 391 HG3 GLU 45 HG1 GLU 45 -5.832 -3.222 6.134 392 H GLU 46 HN GLU 46 -1.286 -6.004 6.345 393 HA GLU 46 HA GLU 46 -0.919 -4.506 8.799 394 HB2 GLU 46 HB2 GLU 46 0.071 -7.242 7.974 395 HB3 GLU 46 HB1 GLU 46 0.273 -6.540 9.574 396 HG2 GLU 46 HG2 GLU 46 -2.175 -6.444 9.812 397 HG3 GLU 46 HG1 GLU 46 -2.336 -7.225 8.240 398 H HIS 47 HN HIS 47 0.913 -5.388 5.955 399 HA HIS 47 HA HIS 47 3.456 -4.617 7.055 400 HB2 HIS 47 HB2 HIS 47 2.565 -5.277 4.251 401 HB3 HIS 47 HB1 HIS 47 4.209 -4.800 4.646 402 HD1 HIS 47 HD1 HIS 47 1.714 -7.466 5.730 403 HD2 HIS 47 HD2 HIS 47 5.786 -6.863 5.252 404 HE1 HIS 47 HE1 HIS 47 2.779 -9.688 6.239 405 HE2 HIS 47 HE2 HIS 47 5.256 -9.290 5.988 406 H ILE 48 HN ILE 48 0.880 -3.007 5.341 407 HA ILE 48 HA ILE 48 2.302 -0.797 4.342 408 HB ILE 48 HB ILE 48 -0.496 -0.636 5.490 409 HG12 ILE 48 HG12 ILE 48 -0.226 -2.578 3.910 410 HG13 ILE 48 HG11 ILE 48 -1.389 -1.369 3.394 411 HG21 ILE 48 HG21 ILE 48 -0.737 1.042 3.610 412 HG22 ILE 48 HG22 ILE 48 1.016 0.951 3.435 413 HG23 ILE 48 HG23 ILE 48 0.310 1.513 4.949 414 HD11 ILE 48 HD11 ILE 48 -0.123 -0.703 1.630 415 HD12 ILE 48 HD12 ILE 48 0.356 -2.399 1.731 416 HD13 ILE 48 HD13 ILE 48 1.399 -1.147 2.406 417 H LEU 49 HN LEU 49 3.769 0.058 5.609 418 HA LEU 49 HA LEU 49 3.608 0.364 8.404 419 HB2 LEU 49 HB2 LEU 49 5.377 1.902 6.535 420 HB3 LEU 49 HB1 LEU 49 5.683 1.531 8.213 421 HG LEU 49 HG LEU 49 5.443 -0.630 6.146 422 HD11 LEU 49 HD11 LEU 49 7.112 0.817 5.306 423 HD12 LEU 49 HD12 LEU 49 7.909 -0.580 6.027 424 HD13 LEU 49 HD13 LEU 49 7.875 0.963 6.886 425 HD21 LEU 49 HD21 LEU 49 5.304 -1.335 8.411 426 HD22 LEU 49 HD22 LEU 49 6.750 -0.432 8.845 427 HD23 LEU 49 HD23 LEU 49 6.863 -1.823 7.764 428 H ASP 50 HN ASP 50 1.806 1.949 6.200 429 HA ASP 50 HA ASP 50 1.483 4.236 7.987 430 HB2 ASP 50 HB2 ASP 50 2.965 5.050 6.237 431 HB3 ASP 50 HB1 ASP 50 1.860 4.460 4.996 432 HA PRO 51 HA PRO 51 -2.715 2.689 7.204 433 HB2 PRO 51 HB2 PRO 51 -3.358 4.729 9.225 434 HB3 PRO 51 HB1 PRO 51 -3.712 3.003 9.234 435 HG2 PRO 51 HG2 PRO 51 -1.868 4.041 10.866 436 HG3 PRO 51 HG1 PRO 51 -1.633 2.456 10.106 437 HD2 PRO 51 HD2 PRO 51 -0.471 5.102 9.341 438 HD3 PRO 51 HD1 PRO 51 0.301 3.507 9.422 439 H ARG 52 HN ARG 52 -1.460 5.968 7.221 440 HA ARG 52 HA ARG 52 -3.684 7.336 6.263 441 HB2 ARG 52 HB2 ARG 52 -0.803 7.765 6.397 442 HB3 ARG 52 HB1 ARG 52 -1.510 8.481 4.959 443 HG2 ARG 52 HG2 ARG 52 -2.509 8.968 7.748 444 HG3 ARG 52 HG1 ARG 52 -1.367 10.010 6.903 445 HD2 ARG 52 HD2 ARG 52 -3.022 10.394 5.143 446 HD3 ARG 52 HD1 ARG 52 -4.159 9.340 5.980 447 HE ARG 52 HE ARG 52 -3.398 11.341 7.760 448 HH11 ARG 52 HH11 ARG 52 -5.099 11.042 4.734 449 HH12 ARG 52 HH12 ARG 52 -6.113 12.416 5.020 450 HH21 ARG 52 HH21 ARG 52 -4.731 13.153 8.146 451 HH22 ARG 52 HH22 ARG 52 -5.903 13.616 6.957 452 H LEU 53 HN LEU 53 -1.253 5.394 4.633 453 HA LEU 53 HA LEU 53 -2.010 5.879 1.973 454 HB2 LEU 53 HB2 LEU 53 -0.722 3.528 3.350 455 HB3 LEU 53 HB1 LEU 53 -1.044 3.517 1.632 456 HG LEU 53 HG LEU 53 0.601 5.696 2.884 457 HD11 LEU 53 HD11 LEU 53 1.548 3.023 1.856 458 HD12 LEU 53 HD12 LEU 53 1.637 3.591 3.523 459 HD13 LEU 53 HD13 LEU 53 2.588 4.386 2.268 460 HD21 LEU 53 HD21 LEU 53 0.466 4.517 0.112 461 HD22 LEU 53 HD22 LEU 53 1.508 5.847 0.621 462 HD23 LEU 53 HD23 LEU 53 -0.244 6.052 0.619 463 H VAL 54 HN VAL 54 -3.093 3.603 4.403 464 HA VAL 54 HA VAL 54 -4.908 2.176 2.742 465 HB VAL 54 HB VAL 54 -4.630 2.361 5.744 466 HG11 VAL 54 HG11 VAL 54 -6.805 1.368 4.212 467 HG12 VAL 54 HG12 VAL 54 -6.597 1.360 5.959 468 HG13 VAL 54 HG13 VAL 54 -5.997 0.012 4.990 469 HG21 VAL 54 HG21 VAL 54 -3.749 0.392 3.659 470 HG22 VAL 54 HG22 VAL 54 -3.816 -0.015 5.375 471 HG23 VAL 54 HG23 VAL 54 -2.753 1.278 4.815 472 H MET 55 HN MET 55 -5.613 4.253 5.551 473 HA MET 55 HA MET 55 -8.278 4.607 5.276 474 HB2 MET 55 HB2 MET 55 -6.597 5.601 6.980 475 HB3 MET 55 HB1 MET 55 -6.581 6.979 5.898 476 HG2 MET 55 HG2 MET 55 -8.175 7.102 7.823 477 HG3 MET 55 HG1 MET 55 -8.860 7.413 6.239 478 HE1 MET 55 HE1 MET 55 -7.762 3.950 7.291 479 HE2 MET 55 HE2 MET 55 -9.199 3.182 7.973 480 HE3 MET 55 HE3 MET 55 -8.336 4.413 8.896 481 H ALA 56 HN ALA 56 -5.783 6.592 3.711 482 HA ALA 56 HA ALA 56 -7.526 8.273 2.303 483 HB1 ALA 56 HB1 ALA 56 -4.747 7.431 1.526 484 HB2 ALA 56 HB2 ALA 56 -5.150 8.765 2.603 485 HB3 ALA 56 HB3 ALA 56 -5.618 8.830 0.903 486 H TYR 57 HN TYR 57 -6.218 5.088 1.528 487 HA TYR 57 HA TYR 57 -6.951 4.992 -1.183 488 HB2 TYR 57 HB2 TYR 57 -5.478 3.305 -0.289 489 HB3 TYR 57 HB1 TYR 57 -6.694 2.794 0.877 490 HD1 TYR 57 HD1 TYR 57 -5.875 2.889 -2.719 491 HD2 TYR 57 HD2 TYR 57 -8.342 1.197 0.298 492 HE1 TYR 57 HE1 TYR 57 -6.704 1.240 -4.332 493 HE2 TYR 57 HE2 TYR 57 -9.185 -0.461 -1.309 494 HH TYR 57 HH TYR 57 -9.423 -0.686 -3.768 495 H GLU 58 HN GLU 58 -8.588 3.719 1.685 496 HA GLU 58 HA GLU 58 -10.990 3.118 0.308 497 HB2 GLU 58 HB2 GLU 58 -11.853 3.100 2.806 498 HB3 GLU 58 HB1 GLU 58 -10.810 1.834 2.184 499 HG2 GLU 58 HG2 GLU 58 -8.920 2.695 3.268 500 HG3 GLU 58 HG1 GLU 58 -9.731 4.206 3.646 501 H GLU 59 HN GLU 59 -9.615 6.002 1.202 502 HA GLU 59 HA GLU 59 -12.077 7.409 1.790 503 HB2 GLU 59 HB2 GLU 59 -10.631 8.759 2.844 504 HB3 GLU 59 HB1 GLU 59 -9.267 7.890 2.155 505 HG2 GLU 59 HG2 GLU 59 -9.316 9.296 0.199 506 HG3 GLU 59 HG1 GLU 59 -10.743 10.136 0.804 507 H LYS 60 HN LYS 60 -9.793 6.963 -0.849 508 HA LYS 60 HA LYS 60 -10.877 8.899 -2.598 509 HB2 LYS 60 HB2 LYS 60 -9.387 6.342 -3.217 510 HB3 LYS 60 HB1 LYS 60 -9.664 7.653 -4.347 511 HG2 LYS 60 HG2 LYS 60 -7.981 8.846 -3.549 512 HG3 LYS 60 HG1 LYS 60 -8.420 8.514 -1.871 513 HD2 LYS 60 HD2 LYS 60 -7.052 6.731 -1.733 514 HD3 LYS 60 HD1 LYS 60 -7.332 6.248 -3.398 515 HE2 LYS 60 HE2 LYS 60 -5.826 7.975 -4.185 516 HE3 LYS 60 HE1 LYS 60 -5.615 8.577 -2.541 517 HZ1 LYS 60 HZ1 LYS 60 -3.764 7.177 -3.271 518 HZ2 LYS 60 HZ2 LYS 60 -4.820 5.873 -3.479 519 HZ3 LYS 60 HZ3 LYS 60 -4.559 6.511 -1.935 520 H GLU 61 HN GLU 61 -11.437 5.431 -2.147 521 HA GLU 61 HA GLU 61 -13.316 5.136 -4.223 522 HB2 GLU 61 HB2 GLU 61 -13.936 3.050 -3.197 523 HB3 GLU 61 HB1 GLU 61 -12.196 3.246 -3.095 524 HG2 GLU 61 HG2 GLU 61 -12.546 4.121 -0.785 525 HG3 GLU 61 HG1 GLU 61 -14.212 3.564 -0.913 526 H GLU 62 HN GLU 62 -13.765 5.776 -0.771 527 HA GLU 62 HA GLU 62 -16.504 5.818 -0.631 528 HB2 GLU 62 HB2 GLU 62 -14.433 7.523 0.721 529 HB3 GLU 62 HB1 GLU 62 -16.144 7.787 1.027 530 HG2 GLU 62 HG2 GLU 62 -16.360 5.466 1.773 531 HG3 GLU 62 HG1 GLU 62 -14.638 5.228 1.487 532 H ARG 63 HN ARG 63 -14.568 8.744 -1.141 533 HA ARG 63 HA ARG 63 -16.652 10.419 -1.902 534 HB2 ARG 63 HB2 ARG 63 -14.203 10.933 -1.282 535 HB3 ARG 63 HB1 ARG 63 -13.952 10.759 -3.008 536 HG2 ARG 63 HG2 ARG 63 -15.256 12.595 -3.537 537 HG3 ARG 63 HG1 ARG 63 -16.071 12.576 -1.971 538 HD2 ARG 63 HD2 ARG 63 -14.545 14.405 -1.962 539 HD3 ARG 63 HD1 ARG 63 -13.889 13.139 -0.924 540 HE ARG 63 HE ARG 63 -12.757 12.691 -3.373 541 HH11 ARG 63 HH11 ARG 63 -12.883 15.375 -1.151 542 HH12 ARG 63 HH12 ARG 63 -11.340 16.004 -1.625 543 HH21 ARG 63 HH21 ARG 63 -10.727 13.515 -4.002 544 HH22 ARG 63 HH22 ARG 63 -10.115 14.947 -3.245 545 H ASP 64 HN ASP 64 -14.909 8.075 -3.804 546 HA ASP 64 HA ASP 64 -15.928 9.247 -6.272 547 HB2 ASP 64 HB2 ASP 64 -13.552 8.505 -6.083 548 HB3 ASP 64 HB1 ASP 64 -14.132 6.857 -5.956 549 H ARG 65 HN ARG 65 -15.654 5.884 -5.125 550 HA ARG 65 HA ARG 65 -17.746 4.993 -6.754 551 HB2 ARG 65 HB2 ARG 65 -17.356 2.857 -5.934 552 HB3 ARG 65 HB1 ARG 65 -15.803 3.675 -5.975 553 HG2 ARG 65 HG2 ARG 65 -15.794 4.021 -3.707 554 HG3 ARG 65 HG1 ARG 65 -17.463 3.534 -3.526 555 HD2 ARG 65 HD2 ARG 65 -16.882 1.266 -4.199 556 HD3 ARG 65 HD1 ARG 65 -15.211 1.772 -4.425 557 HE ARG 65 HE ARG 65 -15.852 2.383 -1.811 558 HH11 ARG 65 HH11 ARG 65 -15.687 -0.478 -3.793 559 HH12 ARG 65 HH12 ARG 65 -15.310 -1.530 -2.470 560 HH21 ARG 65 HH21 ARG 65 -15.357 1.004 -0.062 561 HH22 ARG 65 HH22 ARG 65 -15.122 -0.688 -0.350 562 H ALA 66 HN ALA 66 -17.534 5.618 -3.312 563 HA ALA 66 HA ALA 66 -20.243 4.785 -2.819 564 HB1 ALA 66 HB1 ALA 66 -18.299 4.728 -1.171 565 HB2 ALA 66 HB2 ALA 66 -19.866 5.263 -0.567 566 HB3 ALA 66 HB3 ALA 66 -18.610 6.446 -0.932 567 H SER 67 HN SER 67 -19.140 7.401 -4.398 568 HA SER 67 HA SER 67 -21.614 8.785 -4.197 569 HB2 SER 67 HB2 SER 67 -20.731 10.916 -3.277 570 HB3 SER 67 HB1 SER 67 -20.684 9.602 -2.102 571 HG SER 67 HG SER 67 -18.652 11.069 -3.122 572 H GLY 68 HN GLY 68 -21.941 9.411 -6.215 573 HA2 GLY 68 HA2 GLY 68 -19.822 9.687 -8.107 574 HA3 GLY 68 HA1 GLY 68 -21.519 10.031 -8.393 575 H TYR 69 HN TYR 69 -22.334 12.098 -7.868 576 HA TYR 69 HA TYR 69 -20.257 14.179 -7.855 577 HB2 TYR 69 HB2 TYR 69 -21.894 14.045 -9.790 578 HB3 TYR 69 HB1 TYR 69 -23.150 14.520 -8.653 579 HD1 TYR 69 HD1 TYR 69 -23.061 16.776 -7.593 580 HD2 TYR 69 HD2 TYR 69 -20.370 15.639 -10.686 581 HE1 TYR 69 HE1 TYR 69 -22.512 19.136 -7.973 582 HE2 TYR 69 HE2 TYR 69 -19.813 18.002 -11.076 583 HH TYR 69 HH TYR 69 -20.709 20.482 -8.920 584 H ARG 70 HN ARG 70 -19.910 14.511 -5.698 585 HA ARG 70 HA ARG 70 -20.282 15.070 -3.529 586 HB2 ARG 70 HB2 ARG 70 -21.175 17.063 -5.201 587 HB3 ARG 70 HB1 ARG 70 -22.538 16.831 -4.115 588 HG2 ARG 70 HG2 ARG 70 -21.059 18.547 -3.304 589 HG3 ARG 70 HG1 ARG 70 -21.072 17.180 -2.197 590 HD2 ARG 70 HD2 ARG 70 -18.975 16.387 -3.325 591 HD3 ARG 70 HD1 ARG 70 -18.955 17.913 -4.208 592 HE ARG 70 HE ARG 70 -19.082 18.736 -1.657 593 HH11 ARG 70 HH11 ARG 70 -17.029 16.421 -3.261 594 HH12 ARG 70 HH12 ARG 70 -15.681 16.695 -2.209 595 HH21 ARG 70 HH21 ARG 70 -17.311 19.102 -0.268 596 HH22 ARG 70 HH22 ARG 70 -15.841 18.219 -0.509 597 H LYS 71 HN LYS 71 -22.664 15.977 -2.266 598 HA LYS 71 HA LYS 71 -24.151 13.435 -2.162 599 HB2 LYS 71 HB2 LYS 71 -22.888 14.151 -0.106 600 HB3 LYS 71 HB1 LYS 71 -23.968 15.534 0.004 601 HG2 LYS 71 HG2 LYS 71 -24.741 13.850 1.505 602 HG3 LYS 71 HG1 LYS 71 -25.880 13.955 0.161 603 HD2 LYS 71 HD2 LYS 71 -24.855 11.997 -0.874 604 HD3 LYS 71 HD1 LYS 71 -23.683 11.904 0.442 605 HE2 LYS 71 HE2 LYS 71 -25.519 11.548 2.033 606 HE3 LYS 71 HE1 LYS 71 -26.675 11.615 0.703 607 HZ1 LYS 71 HZ1 LYS 71 -25.624 9.665 -0.260 608 HZ2 LYS 71 HZ2 LYS 71 -26.152 9.337 1.312 609 HZ3 LYS 71 HZ3 LYS 71 -24.510 9.604 1.010 610 H1 ALA 15 HT1 ALA 15 13.440 23.397 -5.829 611 H2 ALA 15 HT2 ALA 15 14.946 23.295 -5.066 612 H3 ALA 15 HT3 ALA 15 14.695 24.433 -6.291 613 HA ALA 15 HA ALA 15 14.672 25.488 -4.132 614 HB1 ALA 15 HB1 ALA 15 12.528 26.649 -4.356 615 HB2 ALA 15 HB2 ALA 15 11.972 25.400 -5.471 616 HB3 ALA 15 HB3 ALA 15 13.324 26.441 -5.917 617 HA PRO 16 HA PRO 16 12.996 22.179 -1.346 618 HB2 PRO 16 HB2 PRO 16 14.497 23.122 0.785 619 HB3 PRO 16 HB1 PRO 16 15.002 21.845 -0.323 620 HG2 PRO 16 HG2 PRO 16 15.708 24.747 -0.325 621 HG3 PRO 16 HG1 PRO 16 16.729 23.342 -0.684 622 HD2 PRO 16 HD2 PRO 16 15.746 24.889 -2.638 623 HD3 PRO 16 HD1 PRO 16 15.894 23.130 -2.838 624 H ARG 17 HN ARG 17 10.988 22.686 -0.736 625 HA ARG 17 HA ARG 17 10.611 25.087 0.924 626 HB2 ARG 17 HB2 ARG 17 8.306 25.236 -0.089 627 HB3 ARG 17 HB1 ARG 17 9.636 25.626 -1.172 628 HG2 ARG 17 HG2 ARG 17 9.492 23.347 -2.111 629 HG3 ARG 17 HG1 ARG 17 8.093 23.042 -1.079 630 HD2 ARG 17 HD2 ARG 17 6.865 24.825 -2.165 631 HD3 ARG 17 HD1 ARG 17 8.277 25.239 -3.138 632 HE ARG 17 HE ARG 17 7.604 22.537 -3.557 633 HH11 ARG 17 HH11 ARG 17 6.450 25.749 -4.265 634 HH12 ARG 17 HH12 ARG 17 5.647 25.277 -5.725 635 HH21 ARG 17 HH21 ARG 17 6.552 21.909 -5.480 636 HH22 ARG 17 HH22 ARG 17 5.707 23.095 -6.417 637 H LYS 18 HN LYS 18 9.250 21.912 0.054 638 HA LYS 18 HA LYS 18 8.882 21.197 2.785 639 HB2 LYS 18 HB2 LYS 18 6.981 22.686 2.649 640 HB3 LYS 18 HB1 LYS 18 6.425 21.905 1.176 641 HG2 LYS 18 HG2 LYS 18 5.072 21.169 3.007 642 HG3 LYS 18 HG1 LYS 18 6.072 19.821 2.463 643 HD2 LYS 18 HD2 LYS 18 7.654 20.297 4.299 644 HD3 LYS 18 HD1 LYS 18 6.583 21.582 4.860 645 HE2 LYS 18 HE2 LYS 18 6.228 19.557 6.154 646 HE3 LYS 18 HE1 LYS 18 4.797 19.935 5.196 647 HZ1 LYS 18 HZ1 LYS 18 6.864 17.917 4.504 648 HZ2 LYS 18 HZ2 LYS 18 5.503 18.286 3.570 649 HZ3 LYS 18 HZ3 LYS 18 5.314 17.585 5.098 650 H GLN 19 HN GLN 19 8.962 19.052 2.949 651 HA GLN 19 HA GLN 19 7.969 17.391 0.758 652 HB2 GLN 19 HB2 GLN 19 10.739 17.123 1.943 653 HB3 GLN 19 HB1 GLN 19 10.010 16.001 0.803 654 HG2 GLN 19 HG2 GLN 19 9.868 17.832 -0.848 655 HG3 GLN 19 HG1 GLN 19 10.707 18.884 0.291 656 HE21 GLN 19 HE21 GLN 19 10.989 16.184 -1.867 657 HE22 GLN 19 HE22 GLN 19 12.715 16.118 -1.890 658 H LEU 20 HN LEU 20 10.049 16.228 3.318 659 HA LEU 20 HA LEU 20 9.697 14.640 4.917 660 HB2 LEU 20 HB2 LEU 20 7.370 16.488 5.425 661 HB3 LEU 20 HB1 LEU 20 7.882 15.228 6.531 662 HG LEU 20 HG LEU 20 9.610 17.551 5.674 663 HD11 LEU 20 HD11 LEU 20 9.208 18.431 7.921 664 HD12 LEU 20 HD12 LEU 20 8.069 17.119 8.229 665 HD13 LEU 20 HD13 LEU 20 7.714 18.323 6.990 666 HD21 LEU 20 HD21 LEU 20 10.882 15.572 6.308 667 HD22 LEU 20 HD22 LEU 20 9.980 15.463 7.819 668 HD23 LEU 20 HD23 LEU 20 11.044 16.837 7.525 669 H ALA 21 HN ALA 21 9.273 12.784 3.736 670 HA ALA 21 HA ALA 21 6.664 12.177 2.724 671 HB1 ALA 21 HB1 ALA 21 8.671 11.267 1.673 672 HB2 ALA 21 HB2 ALA 21 7.599 9.974 2.214 673 HB3 ALA 21 HB3 ALA 21 9.044 10.371 3.145 674 H THR 22 HN THR 22 5.029 11.875 4.113 675 HA THR 22 HA THR 22 5.502 10.591 6.682 676 HB THR 22 HB THR 22 4.101 12.522 6.804 677 HG1 THR 22 HG1 THR 22 3.443 10.685 8.076 678 HG21 THR 22 HG21 THR 22 3.370 12.555 4.451 679 HG22 THR 22 HG22 THR 22 2.019 12.752 5.566 680 HG23 THR 22 HG23 THR 22 2.294 11.197 4.779 681 H LYS 23 HN LYS 23 3.690 10.018 3.696 682 HA LYS 23 HA LYS 23 2.677 7.487 4.692 683 HB2 LYS 23 HB2 LYS 23 2.433 8.651 1.915 684 HB3 LYS 23 HB1 LYS 23 1.493 7.327 2.588 685 HG2 LYS 23 HG2 LYS 23 0.391 8.803 4.123 686 HG3 LYS 23 HG1 LYS 23 1.443 10.141 3.653 687 HD2 LYS 23 HD2 LYS 23 0.535 9.948 1.338 688 HD3 LYS 23 HD1 LYS 23 -0.616 8.754 1.942 689 HE2 LYS 23 HE2 LYS 23 -1.620 10.979 1.814 690 HE3 LYS 23 HE1 LYS 23 -1.542 10.402 3.477 691 HZ1 LYS 23 HZ1 LYS 23 0.427 11.761 3.818 692 HZ2 LYS 23 HZ2 LYS 23 -0.873 12.717 3.309 693 HZ3 LYS 23 HZ3 LYS 23 0.355 12.312 2.219 694 H ALA 24 HN ALA 24 3.861 5.702 4.631 695 HA ALA 24 HA ALA 24 5.424 5.070 2.268 696 HB1 ALA 24 HB1 ALA 24 7.012 6.330 3.615 697 HB2 ALA 24 HB2 ALA 24 7.481 4.633 3.522 698 HB3 ALA 24 HB3 ALA 24 6.720 5.259 4.984 699 H ALA 25 HN ALA 25 6.427 2.842 2.484 700 HA ALA 25 HA ALA 25 5.367 1.037 4.428 701 HB1 ALA 25 HB1 ALA 25 3.950 -0.289 2.981 702 HB2 ALA 25 HB2 ALA 25 4.267 0.798 1.629 703 HB3 ALA 25 HB3 ALA 25 3.364 1.374 3.031 704 H ARG 26 HN ARG 26 6.028 -1.206 4.015 705 HA ARG 26 HA ARG 26 8.640 -1.265 2.734 706 HB2 ARG 26 HB2 ARG 26 8.822 -3.499 3.837 707 HB3 ARG 26 HB1 ARG 26 8.536 -2.172 4.956 708 HG2 ARG 26 HG2 ARG 26 6.169 -2.769 5.059 709 HG3 ARG 26 HG1 ARG 26 6.458 -4.101 3.938 710 HD2 ARG 26 HD2 ARG 26 6.367 -4.840 6.284 711 HD3 ARG 26 HD1 ARG 26 7.928 -5.169 5.533 712 HE ARG 26 HE ARG 26 8.426 -2.840 6.707 713 HH11 ARG 26 HH11 ARG 26 6.782 -5.664 7.923 714 HH12 ARG 26 HH12 ARG 26 7.241 -5.381 9.568 715 HH21 ARG 26 HH21 ARG 26 9.034 -2.461 8.872 716 HH22 ARG 26 HH22 ARG 26 8.522 -3.561 10.108 717 H MLY 27 HN MLY 27 9.272 -3.072 1.355 718 HA MLY 27 HA MLY 27 7.084 -3.836 -0.441 719 HB2 MLY 27 HB2 MLY 27 9.225 -2.654 -1.253 720 HB3 MLY 27 HB1 MLY 27 10.020 -4.203 -1.004 721 HG2 MLY 27 HG2 MLY 27 8.131 -5.143 -2.501 722 HG3 MLY 27 HG1 MLY 27 7.908 -3.462 -2.987 723 HD2 MLY 27 HD2 MLY 27 10.502 -4.997 -3.162 724 HD3 MLY 27 HD1 MLY 27 9.399 -4.706 -4.509 725 HE2 MLY 27 HE2 MLY 27 10.719 -2.529 -2.891 726 HE3 MLY 27 HE1 MLY 27 11.349 -3.150 -4.415 727 HH11 MLY 27 HH11 MLY 27 9.475 0.021 -4.950 728 HH12 MLY 27 HH12 MLY 27 10.042 -0.397 -3.336 729 HH13 MLY 27 HH13 MLY 27 11.111 -0.597 -4.725 730 HH21 MLY 27 HH21 MLY 27 8.960 -1.713 -6.554 731 HH22 MLY 27 HH22 MLY 27 10.614 -2.298 -6.397 732 HH23 MLY 27 HH23 MLY 27 9.262 -3.405 -6.155 733 HZ MLY 27 HZ MLY 27 8.617 -2.127 -4.206 734 H SER 28 HN SER 28 8.125 -5.088 2.203 735 HA SER 28 HA SER 28 8.259 -7.152 3.132 736 HB2 SER 28 HB2 SER 28 6.137 -7.529 1.965 737 HB3 SER 28 HB1 SER 28 7.010 -8.030 0.518 738 HG SER 28 HG SER 28 6.309 -9.808 1.803 739 H ALA 29 HN ALA 29 10.473 -7.307 3.259 740 HA ALA 29 HA ALA 29 12.521 -8.235 2.948 741 HB1 ALA 29 HB1 ALA 29 11.258 -10.332 2.807 742 HB2 ALA 29 HB2 ALA 29 12.689 -10.354 1.776 743 HB3 ALA 29 HB3 ALA 29 11.094 -10.108 1.065 744 HA PRO 30 HA PRO 30 14.253 -6.224 -0.578 745 HB2 PRO 30 HB2 PRO 30 16.674 -7.421 -0.759 746 HB3 PRO 30 HB1 PRO 30 16.266 -6.289 0.535 747 HG2 PRO 30 HG2 PRO 30 16.294 -9.282 0.576 748 HG3 PRO 30 HG1 PRO 30 16.886 -8.140 1.797 749 HD2 PRO 30 HD2 PRO 30 14.491 -9.401 2.001 750 HD3 PRO 30 HD1 PRO 30 14.787 -7.782 2.665 Start of MODEL 10 1 H MET 1 HT1 MET 1 19.921 -6.795 13.372 2 HA MET 1 HA MET 1 21.031 -8.646 15.403 3 HB2 MET 1 HB2 MET 1 20.439 -6.080 15.865 4 HB3 MET 1 HB1 MET 1 18.810 -6.744 15.965 5 HG2 MET 1 HG2 MET 1 19.796 -6.627 18.159 6 HG3 MET 1 HG1 MET 1 19.563 -8.310 17.688 7 HE1 MET 1 HE1 MET 1 21.239 -9.131 19.634 8 HE2 MET 1 HE2 MET 1 21.352 -7.439 20.113 9 HE3 MET 1 HE3 MET 1 22.819 -8.393 19.895 10 H GLU 2 HN GLU 2 17.979 -7.332 14.131 11 HA GLU 2 HA GLU 2 16.761 -9.970 14.521 12 HB2 GLU 2 HB2 GLU 2 15.346 -7.351 14.026 13 HB3 GLU 2 HB1 GLU 2 14.637 -8.860 14.589 14 HG2 GLU 2 HG2 GLU 2 15.869 -8.683 16.676 15 HG3 GLU 2 HG1 GLU 2 16.631 -7.194 16.114 16 H LEU 3 HN LEU 3 17.613 -7.614 12.130 17 HA LEU 3 HA LEU 3 16.200 -9.152 10.061 18 HB2 LEU 3 HB2 LEU 3 17.053 -6.965 8.738 19 HB3 LEU 3 HB1 LEU 3 15.498 -7.082 9.537 20 HG LEU 3 HG LEU 3 16.507 -5.992 11.544 21 HD11 LEU 3 HD11 LEU 3 18.842 -6.594 11.112 22 HD12 LEU 3 HD12 LEU 3 18.642 -4.855 11.324 23 HD13 LEU 3 HD13 LEU 3 18.851 -5.528 9.707 24 HD21 LEU 3 HD21 LEU 3 15.224 -4.714 9.904 25 HD22 LEU 3 HD22 LEU 3 16.693 -4.431 8.970 26 HD23 LEU 3 HD23 LEU 3 16.531 -3.750 10.590 27 H SER 4 HN SER 4 17.863 -10.795 10.181 28 HA SER 4 HA SER 4 20.440 -10.013 9.017 29 HB2 SER 4 HB2 SER 4 20.568 -11.294 11.103 30 HB3 SER 4 HB1 SER 4 19.616 -12.589 10.379 31 HG SER 4 HG SER 4 21.489 -12.378 8.709 32 H ALA 5 HN ALA 5 17.622 -12.031 8.505 33 HA ALA 5 HA ALA 5 18.664 -12.730 5.839 34 HB1 ALA 5 HB1 ALA 5 16.727 -14.322 7.512 35 HB2 ALA 5 HB2 ALA 5 18.441 -14.685 7.313 36 HB3 ALA 5 HB3 ALA 5 17.354 -14.771 5.926 37 H ILE 6 HN ILE 6 16.039 -11.450 7.694 38 HA ILE 6 HA ILE 6 13.989 -11.557 5.777 39 HB ILE 6 HB ILE 6 14.396 -9.465 7.918 40 HG12 ILE 6 HG12 ILE 6 12.806 -12.038 8.018 41 HG13 ILE 6 HG11 ILE 6 14.385 -11.810 8.762 42 HG21 ILE 6 HG21 ILE 6 12.768 -8.678 6.375 43 HG22 ILE 6 HG22 ILE 6 11.885 -9.314 7.765 44 HG23 ILE 6 HG23 ILE 6 11.998 -10.263 6.284 45 HD11 ILE 6 HD11 ILE 6 11.848 -10.356 9.468 46 HD12 ILE 6 HD12 ILE 6 13.432 -10.045 10.181 47 HD13 ILE 6 HD13 ILE 6 12.649 -11.608 10.416 48 H GLY 7 HN GLY 7 13.919 -10.651 3.845 49 HA2 GLY 7 HA2 GLY 7 15.777 -8.743 2.926 50 HA3 GLY 7 HA1 GLY 7 14.301 -9.214 2.097 51 H GLU 8 HN GLU 8 12.668 -8.399 4.451 52 HA GLU 8 HA GLU 8 11.709 -5.993 3.710 53 HB2 GLU 8 HB2 GLU 8 11.996 -7.066 6.512 54 HB3 GLU 8 HB1 GLU 8 11.084 -5.611 6.133 55 HG2 GLU 8 HG2 GLU 8 9.561 -6.869 4.758 56 HG3 GLU 8 HG1 GLU 8 10.527 -8.329 4.962 57 H GLN 9 HN GLN 9 12.165 -3.849 3.950 58 HA GLN 9 HA GLN 9 14.158 -2.921 5.751 59 HB2 GLN 9 HB2 GLN 9 15.690 -2.023 4.018 60 HB3 GLN 9 HB1 GLN 9 15.681 -3.774 4.168 61 HG2 GLN 9 HG2 GLN 9 15.660 -3.510 1.942 62 HG3 GLN 9 HG1 GLN 9 13.953 -3.688 2.285 63 HE21 GLN 9 HE21 GLN 9 13.253 -2.589 0.488 64 HE22 GLN 9 HE22 GLN 9 13.470 -0.889 0.278 65 H VAL 10 HN VAL 10 11.514 -2.489 3.840 66 HA VAL 10 HA VAL 10 10.076 -0.756 3.521 67 HB VAL 10 HB VAL 10 11.857 0.886 5.308 68 HG11 VAL 10 HG11 VAL 10 8.925 1.045 4.637 69 HG12 VAL 10 HG12 VAL 10 10.186 2.190 4.180 70 HG13 VAL 10 HG13 VAL 10 9.727 2.013 5.873 71 HG21 VAL 10 HG21 VAL 10 9.692 -1.085 6.068 72 HG22 VAL 10 HG22 VAL 10 10.399 0.103 7.167 73 HG23 VAL 10 HG23 VAL 10 11.409 -1.166 6.477 74 H PHE 11 HN PHE 11 9.779 1.037 2.173 75 HA PHE 11 HA PHE 11 12.203 2.209 1.012 76 HB2 PHE 11 HB2 PHE 11 10.170 0.595 -0.355 77 HB3 PHE 11 HB1 PHE 11 10.524 2.122 -1.153 78 HD1 PHE 11 HD2 PHE 11 13.382 2.454 -0.704 79 HD2 PHE 11 HD1 PHE 11 11.155 -1.058 -1.612 80 HE1 PHE 11 HE2 PHE 11 15.383 1.454 -1.729 81 HE2 PHE 11 HE1 PHE 11 13.151 -2.062 -2.639 82 HZ PHE 11 HZ PHE 11 15.269 -0.807 -2.699 83 H ALA 12 HN ALA 12 9.216 2.858 -0.539 84 HA ALA 12 HA ALA 12 8.337 5.049 1.039 85 HB1 ALA 12 HB1 ALA 12 8.933 6.754 -0.834 86 HB2 ALA 12 HB2 ALA 12 10.209 5.602 -1.231 87 HB3 ALA 12 HB3 ALA 12 10.148 6.333 0.374 88 H VAL 13 HN VAL 13 6.212 4.868 0.670 89 HA VAL 13 HA VAL 13 5.269 3.913 -1.907 90 HB VAL 13 HB VAL 13 3.552 4.637 0.461 91 HG11 VAL 13 HG11 VAL 13 3.015 2.561 -1.611 92 HG12 VAL 13 HG12 VAL 13 2.649 4.258 -1.928 93 HG13 VAL 13 HG13 VAL 13 1.870 3.422 -0.583 94 HG21 VAL 13 HG21 VAL 13 3.592 1.987 0.579 95 HG22 VAL 13 HG22 VAL 13 4.710 2.995 1.505 96 HG23 VAL 13 HG23 VAL 13 5.235 2.254 -0.006 97 H GLU 14 HN GLU 14 4.399 5.120 -3.430 98 HA GLU 14 HA GLU 14 4.193 7.957 -3.176 99 HB2 GLU 14 HB2 GLU 14 4.620 6.516 -5.308 100 HB3 GLU 14 HB1 GLU 14 2.872 6.322 -5.341 101 HG2 GLU 14 HG2 GLU 14 4.369 8.935 -5.455 102 HG3 GLU 14 HG1 GLU 14 3.610 8.113 -6.815 103 H SER 15 HN SER 15 2.004 5.228 -3.341 104 HA SER 15 HA SER 15 0.163 5.840 -1.487 105 HB2 SER 15 HB2 SER 15 -1.750 6.811 -2.880 106 HB3 SER 15 HB1 SER 15 -0.465 7.928 -2.429 107 HG SER 15 HG SER 15 -1.210 6.987 -4.913 108 H ILE 16 HN ILE 16 -1.735 4.516 -1.588 109 HA ILE 16 HA ILE 16 -1.281 2.057 -2.885 110 HB ILE 16 HB ILE 16 -3.936 2.941 -1.777 111 HG12 ILE 16 HG12 ILE 16 -1.539 1.841 -0.297 112 HG13 ILE 16 HG11 ILE 16 -2.226 3.451 -0.115 113 HG21 ILE 16 HG21 ILE 16 -4.194 0.559 -1.272 114 HG22 ILE 16 HG22 ILE 16 -2.614 0.235 -1.988 115 HG23 ILE 16 HG23 ILE 16 -3.936 0.827 -2.995 116 HD11 ILE 16 HD11 ILE 16 -2.770 1.599 1.598 117 HD12 ILE 16 HD12 ILE 16 -3.926 1.061 0.394 118 HD13 ILE 16 HD13 ILE 16 -4.038 2.688 1.061 119 H ARG 17 HN ARG 17 -2.788 0.956 -4.320 120 HA ARG 17 HA ARG 17 -4.077 2.746 -6.269 121 HB2 ARG 17 HB2 ARG 17 -1.927 0.818 -6.651 122 HB3 ARG 17 HB1 ARG 17 -3.302 0.490 -7.690 123 HG2 ARG 17 HG2 ARG 17 -3.175 2.909 -8.379 124 HG3 ARG 17 HG1 ARG 17 -1.612 2.959 -7.566 125 HD2 ARG 17 HD2 ARG 17 -0.845 1.097 -8.977 126 HD3 ARG 17 HD1 ARG 17 -2.401 1.102 -9.807 127 HE ARG 17 HE ARG 17 -0.515 3.368 -9.883 128 HH11 ARG 17 HH11 ARG 17 -2.867 1.281 -11.389 129 HH12 ARG 17 HH12 ARG 17 -2.798 2.094 -12.918 130 HH21 ARG 17 HH21 ARG 17 -0.421 4.443 -11.892 131 HH22 ARG 17 HH22 ARG 17 -1.408 3.889 -13.204 132 H LYS 18 HN LYS 18 -3.849 -0.545 -4.966 133 HA LYS 18 HA LYS 18 -6.730 -0.863 -5.399 134 HB2 LYS 18 HB2 LYS 18 -4.712 -2.994 -6.038 135 HB3 LYS 18 HB1 LYS 18 -6.446 -3.077 -6.265 136 HG2 LYS 18 HG2 LYS 18 -6.416 -1.597 -8.050 137 HG3 LYS 18 HG1 LYS 18 -4.817 -0.985 -7.632 138 HD2 LYS 18 HD2 LYS 18 -3.833 -3.115 -8.237 139 HD3 LYS 18 HD1 LYS 18 -5.426 -3.753 -8.614 140 HE2 LYS 18 HE2 LYS 18 -5.694 -2.244 -10.431 141 HE3 LYS 18 HE1 LYS 18 -4.253 -1.352 -9.961 142 HZ1 LYS 18 HZ1 LYS 18 -2.920 -3.303 -10.494 143 HZ2 LYS 18 HZ2 LYS 18 -3.809 -2.795 -11.840 144 HZ3 LYS 18 HZ3 LYS 18 -4.312 -4.147 -10.957 145 H LYS 19 HN LYS 19 -7.501 -2.951 -4.307 146 HA LYS 19 HA LYS 19 -5.972 -3.694 -1.941 147 HB2 LYS 19 HB2 LYS 19 -7.256 -1.995 -0.929 148 HB3 LYS 19 HB1 LYS 19 -8.691 -2.407 -1.852 149 HG2 LYS 19 HG2 LYS 19 -8.929 -4.468 -0.603 150 HG3 LYS 19 HG1 LYS 19 -7.448 -4.131 0.283 151 HD2 LYS 19 HD2 LYS 19 -8.484 -2.161 1.275 152 HD3 LYS 19 HD1 LYS 19 -9.954 -2.449 0.342 153 HE2 LYS 19 HE2 LYS 19 -10.171 -4.647 1.474 154 HE3 LYS 19 HE1 LYS 19 -8.789 -4.242 2.473 155 HZ1 LYS 19 HZ1 LYS 19 -10.011 -2.343 3.338 156 HZ2 LYS 19 HZ2 LYS 19 -10.862 -3.779 3.613 157 HZ3 LYS 19 HZ3 LYS 19 -11.346 -2.735 2.373 158 H ARG 20 HN ARG 20 -6.191 -5.800 -1.464 159 HA ARG 20 HA ARG 20 -8.492 -7.245 -2.542 160 HB2 ARG 20 HB2 ARG 20 -7.291 -8.533 -3.935 161 HB3 ARG 20 HB1 ARG 20 -6.009 -7.344 -3.749 162 HG2 ARG 20 HG2 ARG 20 -5.422 -8.835 -1.653 163 HG3 ARG 20 HG1 ARG 20 -6.272 -10.053 -2.575 164 HD2 ARG 20 HD2 ARG 20 -4.803 -9.568 -4.509 165 HD3 ARG 20 HD1 ARG 20 -3.891 -8.458 -3.485 166 HE ARG 20 HE ARG 20 -3.700 -10.657 -2.048 167 HH11 ARG 20 HH11 ARG 20 -3.422 -10.273 -5.500 168 HH12 ARG 20 HH12 ARG 20 -2.321 -11.596 -5.688 169 HH21 ARG 20 HH21 ARG 20 -2.251 -12.401 -2.287 170 HH22 ARG 20 HH22 ARG 20 -1.655 -12.805 -3.862 171 H VAL 21 HN VAL 21 -9.250 -8.839 -1.231 172 HA VAL 21 HA VAL 21 -7.734 -9.340 1.239 173 HB VAL 21 HB VAL 21 -10.723 -8.983 0.978 174 HG11 VAL 21 HG11 VAL 21 -9.147 -9.604 3.470 175 HG12 VAL 21 HG12 VAL 21 -10.043 -10.819 2.552 176 HG13 VAL 21 HG13 VAL 21 -10.901 -9.479 3.311 177 HG21 VAL 21 HG21 VAL 21 -8.900 -7.480 2.804 178 HG22 VAL 21 HG22 VAL 21 -10.477 -7.006 2.160 179 HG23 VAL 21 HG23 VAL 21 -9.056 -6.994 1.112 180 H ARG 22 HN ARG 22 -7.902 -11.434 2.137 181 HA ARG 22 HA ARG 22 -9.243 -13.474 0.508 182 HB2 ARG 22 HB2 ARG 22 -6.757 -13.306 0.004 183 HB3 ARG 22 HB1 ARG 22 -6.471 -13.838 1.652 184 HG2 ARG 22 HG2 ARG 22 -7.893 -15.855 1.097 185 HG3 ARG 22 HG1 ARG 22 -7.756 -15.342 -0.587 186 HD2 ARG 22 HD2 ARG 22 -5.252 -15.313 -0.221 187 HD3 ARG 22 HD1 ARG 22 -5.561 -16.151 1.296 188 HE ARG 22 HE ARG 22 -6.577 -17.316 -1.191 189 HH11 ARG 22 HH11 ARG 22 -4.366 -17.427 1.500 190 HH12 ARG 22 HH12 ARG 22 -3.922 -19.080 1.234 191 HH21 ARG 22 HH21 ARG 22 -5.999 -19.493 -1.548 192 HH22 ARG 22 HH22 ARG 22 -4.851 -20.253 -0.499 193 H LYS 23 HN LYS 23 -10.821 -13.990 1.958 194 HA LYS 23 HA LYS 23 -11.805 -14.850 3.823 195 HB2 LYS 23 HB2 LYS 23 -9.007 -15.832 4.350 196 HB3 LYS 23 HB1 LYS 23 -10.409 -16.306 5.298 197 HG2 LYS 23 HG2 LYS 23 -11.276 -17.607 3.625 198 HG3 LYS 23 HG1 LYS 23 -10.483 -16.681 2.353 199 HD2 LYS 23 HD2 LYS 23 -9.426 -18.826 2.495 200 HD3 LYS 23 HD1 LYS 23 -8.309 -17.607 3.113 201 HE2 LYS 23 HE2 LYS 23 -8.209 -19.443 4.608 202 HE3 LYS 23 HE1 LYS 23 -9.129 -18.171 5.410 203 HZ1 LYS 23 HZ1 LYS 23 -11.169 -19.302 4.823 204 HZ2 LYS 23 HZ2 LYS 23 -10.157 -20.348 5.685 205 HZ3 LYS 23 HZ3 LYS 23 -10.305 -20.509 4.009 206 H GLY 24 HN GLY 24 -9.782 -12.368 3.789 207 HA2 GLY 24 HA2 GLY 24 -10.524 -10.669 5.528 208 HA3 GLY 24 HA1 GLY 24 -9.901 -11.843 6.675 209 H LYS 25 HN LYS 25 -7.813 -12.445 4.480 210 HA LYS 25 HA LYS 25 -5.785 -10.750 5.536 211 HB2 LYS 25 HB2 LYS 25 -5.655 -12.544 3.115 212 HB3 LYS 25 HB1 LYS 25 -4.290 -11.910 4.015 213 HG2 LYS 25 HG2 LYS 25 -4.840 -13.252 5.917 214 HG3 LYS 25 HG1 LYS 25 -6.354 -13.764 5.172 215 HD2 LYS 25 HD2 LYS 25 -4.905 -15.563 4.813 216 HD3 LYS 25 HD1 LYS 25 -4.902 -14.679 3.285 217 HE2 LYS 25 HE2 LYS 25 -2.639 -15.272 3.833 218 HE3 LYS 25 HE1 LYS 25 -2.833 -13.528 4.009 219 HZ1 LYS 25 HZ1 LYS 25 -3.071 -13.842 6.400 220 HZ2 LYS 25 HZ2 LYS 25 -1.592 -14.453 5.853 221 HZ3 LYS 25 HZ3 LYS 25 -2.858 -15.511 6.221 222 H VAL 26 HN VAL 26 -5.917 -8.645 5.051 223 HA VAL 26 HA VAL 26 -6.801 -7.747 2.461 224 HB VAL 26 HB VAL 26 -5.694 -6.162 4.765 225 HG11 VAL 26 HG11 VAL 26 -7.258 -5.233 2.367 226 HG12 VAL 26 HG12 VAL 26 -5.525 -5.021 2.580 227 HG13 VAL 26 HG13 VAL 26 -6.653 -4.225 3.675 228 HG21 VAL 26 HG21 VAL 26 -8.545 -6.124 4.046 229 HG22 VAL 26 HG22 VAL 26 -7.780 -5.958 5.625 230 HG23 VAL 26 HG23 VAL 26 -7.948 -7.552 4.886 231 H GLU 27 HN GLU 27 -5.643 -6.598 0.981 232 HA GLU 27 HA GLU 27 -2.738 -6.417 1.228 233 HB2 GLU 27 HB2 GLU 27 -4.248 -7.658 -1.068 234 HB3 GLU 27 HB1 GLU 27 -2.568 -7.205 -1.156 235 HG2 GLU 27 HG2 GLU 27 -2.901 -8.794 1.153 236 HG3 GLU 27 HG1 GLU 27 -3.710 -9.605 -0.183 237 H TYR 28 HN TYR 28 -1.856 -4.868 -0.386 238 HA TYR 28 HA TYR 28 -3.866 -3.034 -1.450 239 HB2 TYR 28 HB2 TYR 28 -1.841 -2.410 0.655 240 HB3 TYR 28 HB1 TYR 28 -2.377 -1.144 -0.434 241 HD1 TYR 28 HD1 TYR 28 -5.146 -1.298 -0.695 242 HD2 TYR 28 HD2 TYR 28 -2.867 -2.344 2.749 243 HE1 TYR 28 HE1 TYR 28 -7.105 -0.926 0.737 244 HE2 TYR 28 HE2 TYR 28 -4.816 -1.934 4.155 245 HH TYR 28 HH TYR 28 -6.922 -0.646 4.078 246 H LEU 29 HN LEU 29 -3.337 -2.963 -3.579 247 HA LEU 29 HA LEU 29 -0.702 -3.318 -4.561 248 HB2 LEU 29 HB2 LEU 29 -2.942 -3.581 -5.846 249 HB3 LEU 29 HB1 LEU 29 -2.886 -1.845 -6.034 250 HG LEU 29 HG LEU 29 -2.014 -3.354 -7.956 251 HD11 LEU 29 HD11 LEU 29 -1.852 -0.894 -7.763 252 HD12 LEU 29 HD12 LEU 29 -0.530 -1.638 -8.657 253 HD13 LEU 29 HD13 LEU 29 -0.282 -1.098 -6.995 254 HD21 LEU 29 HD21 LEU 29 0.406 -3.282 -6.184 255 HD22 LEU 29 HD22 LEU 29 0.340 -3.897 -7.834 256 HD23 LEU 29 HD23 LEU 29 -0.538 -4.724 -6.547 257 H VAL 30 HN VAL 30 0.561 -1.881 -3.333 258 HA VAL 30 HA VAL 30 -0.029 0.943 -3.420 259 HB VAL 30 HB VAL 30 2.369 0.915 -2.255 260 HG11 VAL 30 HG11 VAL 30 -0.253 0.187 -0.965 261 HG12 VAL 30 HG12 VAL 30 0.372 1.812 -1.252 262 HG13 VAL 30 HG13 VAL 30 1.174 0.749 -0.095 263 HG21 VAL 30 HG21 VAL 30 2.522 -1.078 -0.799 264 HG22 VAL 30 HG22 VAL 30 2.799 -1.432 -2.506 265 HG23 VAL 30 HG23 VAL 30 1.252 -1.835 -1.760 266 H LYS 31 HN LYS 31 0.801 2.423 -4.689 267 HA LYS 31 HA LYS 31 2.688 1.675 -6.752 268 HB2 LYS 31 HB2 LYS 31 0.730 3.129 -7.250 269 HB3 LYS 31 HB1 LYS 31 1.387 4.349 -6.168 270 HG2 LYS 31 HG2 LYS 31 3.275 4.693 -7.599 271 HG3 LYS 31 HG1 LYS 31 2.801 3.337 -8.624 272 HD2 LYS 31 HD2 LYS 31 2.165 5.393 -9.704 273 HD3 LYS 31 HD1 LYS 31 0.707 4.551 -9.176 274 HE2 LYS 31 HE2 LYS 31 0.606 5.996 -7.194 275 HE3 LYS 31 HE1 LYS 31 2.049 6.844 -7.747 276 HZ1 LYS 31 HZ1 LYS 31 0.840 7.545 -9.717 277 HZ2 LYS 31 HZ2 LYS 31 0.038 8.051 -8.316 278 HZ3 LYS 31 HZ3 LYS 31 -0.544 6.726 -9.190 279 H TRP 32 HN TRP 32 4.814 2.162 -6.739 280 HA TRP 32 HA TRP 32 5.870 3.305 -4.280 281 HB2 TRP 32 HB2 TRP 32 7.176 1.787 -6.542 282 HB3 TRP 32 HB1 TRP 32 8.027 2.358 -5.105 283 HD1 TRP 32 HD1 TRP 32 5.938 -0.484 -6.333 284 HE1 TRP 32 HE1 TRP 32 5.395 -2.087 -4.394 285 HE3 TRP 32 HE3 TRP 32 7.547 2.392 -2.447 286 HZ2 TRP 32 HZ2 TRP 32 5.615 -2.114 -1.570 287 HZ3 TRP 32 HZ3 TRP 32 7.351 1.519 -0.157 288 HH2 TRP 32 HH2 TRP 32 6.393 -0.684 0.269 289 H LYS 33 HN LYS 33 7.041 5.100 -4.093 290 HA LYS 33 HA LYS 33 6.771 7.203 -5.902 291 HB2 LYS 33 HB2 LYS 33 8.630 6.747 -3.580 292 HB3 LYS 33 HB1 LYS 33 8.689 8.227 -4.523 293 HG2 LYS 33 HG2 LYS 33 6.043 8.070 -3.961 294 HG3 LYS 33 HG1 LYS 33 6.746 7.337 -2.521 295 HD2 LYS 33 HD2 LYS 33 7.526 10.014 -3.664 296 HD3 LYS 33 HD1 LYS 33 6.428 9.779 -2.303 297 HE2 LYS 33 HE2 LYS 33 8.171 8.823 -0.976 298 HE3 LYS 33 HE1 LYS 33 9.267 8.782 -2.356 299 HZ1 LYS 33 HZ1 LYS 33 9.769 10.632 -0.889 300 HZ2 LYS 33 HZ2 LYS 33 8.200 11.237 -1.067 301 HZ3 LYS 33 HZ3 LYS 33 9.246 11.201 -2.395 302 H GLY 34 HN GLY 34 7.916 7.913 -7.601 303 HA2 GLY 34 HA2 GLY 34 9.638 8.130 -9.121 304 HA3 GLY 34 HA1 GLY 34 10.673 7.248 -8.008 305 H TRP 35 HN TRP 35 8.450 5.100 -8.049 306 HA TRP 35 HA TRP 35 9.543 3.707 -10.372 307 HB2 TRP 35 HB2 TRP 35 8.093 2.749 -7.916 308 HB3 TRP 35 HB1 TRP 35 8.429 1.695 -9.278 309 HD1 TRP 35 HD1 TRP 35 10.167 3.515 -6.400 310 HE1 TRP 35 HE1 TRP 35 12.527 2.528 -6.110 311 HE3 TRP 35 HE3 TRP 35 10.308 0.518 -10.541 312 HZ2 TRP 35 HZ2 TRP 35 14.223 0.718 -7.459 313 HZ3 TRP 35 HZ3 TRP 35 12.336 -0.810 -10.967 314 HH2 TRP 35 HH2 TRP 35 14.252 -0.710 -9.457 315 HA PRO 36 HA PRO 36 5.777 4.037 -12.644 316 HB2 PRO 36 HB2 PRO 36 6.386 1.492 -13.939 317 HB3 PRO 36 HB1 PRO 36 6.382 3.113 -14.627 318 HG2 PRO 36 HG2 PRO 36 8.652 1.714 -14.230 319 HG3 PRO 36 HG1 PRO 36 8.582 3.476 -14.105 320 HD2 PRO 36 HD2 PRO 36 8.570 1.423 -11.931 321 HD3 PRO 36 HD1 PRO 36 9.444 2.961 -12.017 322 HA PRO 37 HA PRO 37 2.646 1.550 -10.723 323 HB2 PRO 37 HB2 PRO 37 1.329 1.338 -13.371 324 HB3 PRO 37 HB1 PRO 37 0.700 1.985 -11.853 325 HG2 PRO 37 HG2 PRO 37 1.377 3.601 -13.872 326 HG3 PRO 37 HG1 PRO 37 1.661 4.062 -12.184 327 HD2 PRO 37 HD2 PRO 37 3.596 3.067 -14.233 328 HD3 PRO 37 HD1 PRO 37 3.818 4.301 -12.975 329 H LYS 38 HN LYS 38 4.388 0.545 -13.488 330 HA LYS 38 HA LYS 38 3.382 -2.081 -13.802 331 HB2 LYS 38 HB2 LYS 38 6.022 -0.841 -14.548 332 HB3 LYS 38 HB1 LYS 38 5.524 -2.458 -15.032 333 HG2 LYS 38 HG2 LYS 38 4.588 -1.558 -16.815 334 HG3 LYS 38 HG1 LYS 38 3.404 -0.808 -15.754 335 HD2 LYS 38 HD2 LYS 38 4.535 0.788 -17.297 336 HD3 LYS 38 HD1 LYS 38 4.713 1.188 -15.590 337 HE2 LYS 38 HE2 LYS 38 6.950 0.614 -15.551 338 HE3 LYS 38 HE1 LYS 38 6.812 -0.447 -16.951 339 HZ1 LYS 38 HZ1 LYS 38 6.676 2.520 -17.004 340 HZ2 LYS 38 HZ2 LYS 38 6.542 1.508 -18.352 341 HZ3 LYS 38 HZ3 LYS 38 7.997 1.583 -17.495 342 H TYR 39 HN TYR 39 5.763 -0.656 -11.695 343 HA TYR 39 HA TYR 39 6.662 -3.291 -10.828 344 HB2 TYR 39 HB2 TYR 39 7.683 -0.509 -10.297 345 HB3 TYR 39 HB1 TYR 39 8.296 -1.918 -9.450 346 HD1 TYR 39 HD2 TYR 39 9.641 -3.593 -10.613 347 HD2 TYR 39 HD1 TYR 39 8.175 -0.145 -12.612 348 HE1 TYR 39 HE2 TYR 39 11.213 -4.007 -12.462 349 HE2 TYR 39 HE1 TYR 39 9.734 -0.541 -14.458 350 HH TYR 39 HH TYR 39 11.418 -3.452 -14.861 351 H SER 40 HN SER 40 4.098 -1.504 -10.108 352 HA SER 40 HA SER 40 4.039 -1.044 -7.390 353 HB2 SER 40 HB2 SER 40 1.821 -2.151 -9.114 354 HB3 SER 40 HB1 SER 40 1.606 -1.507 -7.490 355 HG SER 40 HG SER 40 1.588 -0.166 -9.743 356 H THR 41 HN THR 41 3.287 -2.322 -5.581 357 HA THR 41 HA THR 41 3.439 -5.217 -6.047 358 HB THR 41 HB THR 41 4.890 -5.602 -4.182 359 HG1 THR 41 HG1 THR 41 5.759 -3.690 -3.063 360 HG21 THR 41 HG21 THR 41 5.896 -4.908 -6.381 361 HG22 THR 41 HG22 THR 41 6.931 -4.661 -4.974 362 HG23 THR 41 HG23 THR 41 6.090 -3.292 -5.703 363 H TRP 42 HN TRP 42 2.261 -6.505 -4.706 364 HA TRP 42 HA TRP 42 0.120 -5.203 -3.263 365 HB2 TRP 42 HB2 TRP 42 0.728 -8.070 -3.956 366 HB3 TRP 42 HB1 TRP 42 -0.590 -7.636 -2.874 367 HD1 TRP 42 HD1 TRP 42 0.322 -7.830 -6.514 368 HE1 TRP 42 HE1 TRP 42 -1.714 -7.150 -7.938 369 HE3 TRP 42 HE3 TRP 42 -2.662 -5.938 -2.812 370 HZ2 TRP 42 HZ2 TRP 42 -4.246 -5.967 -7.538 371 HZ3 TRP 42 HZ3 TRP 42 -4.876 -5.053 -3.426 372 HH2 TRP 42 HH2 TRP 42 -5.640 -5.065 -5.747 373 H GLU 43 HN GLU 43 0.663 -4.456 -1.308 374 HA GLU 43 HA GLU 43 2.235 -6.219 0.428 375 HB2 GLU 43 HB2 GLU 43 1.845 -3.229 0.622 376 HB3 GLU 43 HB1 GLU 43 2.819 -4.205 1.714 377 HG2 GLU 43 HG2 GLU 43 3.318 -3.738 -1.216 378 HG3 GLU 43 HG1 GLU 43 4.239 -3.078 0.135 379 HA PRO 44 HA PRO 44 -1.600 -7.087 2.537 380 HB2 PRO 44 HB2 PRO 44 -0.237 -7.733 4.928 381 HB3 PRO 44 HB1 PRO 44 -0.790 -8.861 3.688 382 HG2 PRO 44 HG2 PRO 44 1.903 -7.689 4.118 383 HG3 PRO 44 HG1 PRO 44 1.459 -9.279 3.476 384 HD2 PRO 44 HD2 PRO 44 2.357 -7.333 1.878 385 HD3 PRO 44 HD1 PRO 44 1.072 -8.439 1.344 386 H GLU 45 HN GLU 45 -2.887 -5.895 3.715 387 HA GLU 45 HA GLU 45 -2.372 -3.283 4.409 388 HB2 GLU 45 HB2 GLU 45 -4.587 -3.952 4.119 389 HB3 GLU 45 HB1 GLU 45 -4.431 -5.290 5.235 390 HG2 GLU 45 HG2 GLU 45 -4.817 -4.032 7.024 391 HG3 GLU 45 HG1 GLU 45 -4.109 -2.576 6.351 392 H GLU 46 HN GLU 46 -1.477 -6.126 6.079 393 HA GLU 46 HA GLU 46 -1.246 -4.875 8.676 394 HB2 GLU 46 HB2 GLU 46 -0.197 -7.547 7.721 395 HB3 GLU 46 HB1 GLU 46 -0.301 -7.011 9.392 396 HG2 GLU 46 HG2 GLU 46 -2.733 -6.935 9.222 397 HG3 GLU 46 HG1 GLU 46 -2.634 -7.460 7.543 398 H HIS 47 HN HIS 47 0.813 -5.675 5.954 399 HA HIS 47 HA HIS 47 3.257 -5.006 7.314 400 HB2 HIS 47 HB2 HIS 47 2.555 -5.748 4.498 401 HB3 HIS 47 HB1 HIS 47 4.132 -5.065 4.861 402 HD1 HIS 47 HD1 HIS 47 1.962 -7.947 6.092 403 HD2 HIS 47 HD2 HIS 47 5.937 -6.901 5.561 404 HE1 HIS 47 HE1 HIS 47 3.279 -10.002 6.702 405 HE2 HIS 47 HE2 HIS 47 5.688 -9.363 6.322 406 H ILE 48 HN ILE 48 0.929 -3.303 5.310 407 HA ILE 48 HA ILE 48 2.446 -1.101 4.512 408 HB ILE 48 HB ILE 48 -0.412 -0.948 5.509 409 HG12 ILE 48 HG12 ILE 48 -0.005 -2.740 3.770 410 HG13 ILE 48 HG11 ILE 48 -1.171 -1.503 3.320 411 HG21 ILE 48 HG21 ILE 48 -0.556 0.932 3.885 412 HG22 ILE 48 HG22 ILE 48 1.183 0.788 3.635 413 HG23 ILE 48 HG23 ILE 48 0.555 1.226 5.223 414 HD11 ILE 48 HD11 ILE 48 0.152 -0.657 1.683 415 HD12 ILE 48 HD12 ILE 48 0.695 -2.335 1.661 416 HD13 ILE 48 HD13 ILE 48 1.649 -1.111 2.498 417 H LEU 49 HN LEU 49 3.840 -0.241 5.836 418 HA LEU 49 HA LEU 49 3.612 -0.063 8.635 419 HB2 LEU 49 HB2 LEU 49 5.400 1.575 6.877 420 HB3 LEU 49 HB1 LEU 49 5.671 1.147 8.545 421 HG LEU 49 HG LEU 49 5.520 -0.930 6.389 422 HD11 LEU 49 HD11 LEU 49 7.191 0.586 5.669 423 HD12 LEU 49 HD12 LEU 49 7.975 -0.846 6.329 424 HD13 LEU 49 HD13 LEU 49 7.914 0.643 7.274 425 HD21 LEU 49 HD21 LEU 49 5.353 -1.822 8.534 426 HD22 LEU 49 HD22 LEU 49 6.639 -0.806 9.166 427 HD23 LEU 49 HD23 LEU 49 7.009 -2.102 8.026 428 H ASP 50 HN ASP 50 1.811 1.632 6.489 429 HA ASP 50 HA ASP 50 1.498 3.809 8.407 430 HB2 ASP 50 HB2 ASP 50 2.906 4.175 6.046 431 HB3 ASP 50 HB1 ASP 50 1.303 4.826 5.694 432 HA PRO 51 HA PRO 51 -2.765 2.651 7.412 433 HB2 PRO 51 HB2 PRO 51 -3.391 4.559 9.542 434 HB3 PRO 51 HB1 PRO 51 -3.761 2.838 9.453 435 HG2 PRO 51 HG2 PRO 51 -1.942 3.804 11.173 436 HG3 PRO 51 HG1 PRO 51 -1.735 2.229 10.386 437 HD2 PRO 51 HD2 PRO 51 -0.480 4.861 9.704 438 HD3 PRO 51 HD1 PRO 51 0.248 3.245 9.776 439 H ARG 52 HN ARG 52 -1.155 5.693 7.459 440 HA ARG 52 HA ARG 52 -3.232 7.415 6.709 441 HB2 ARG 52 HB2 ARG 52 -0.260 7.399 6.456 442 HB3 ARG 52 HB1 ARG 52 -1.159 8.560 5.507 443 HG2 ARG 52 HG2 ARG 52 -1.626 8.312 8.441 444 HG3 ARG 52 HG1 ARG 52 -0.278 9.256 7.814 445 HD2 ARG 52 HD2 ARG 52 -3.145 9.647 7.003 446 HD3 ARG 52 HD1 ARG 52 -2.346 10.576 8.270 447 HE ARG 52 HE ARG 52 -1.281 10.568 5.531 448 HH11 ARG 52 HH11 ARG 52 -2.605 12.269 8.271 449 HH12 ARG 52 HH12 ARG 52 -2.254 13.839 7.628 450 HH21 ARG 52 HH21 ARG 52 -0.818 12.629 4.678 451 HH22 ARG 52 HH22 ARG 52 -1.241 14.044 5.585 452 H LEU 53 HN LEU 53 -1.009 5.390 4.906 453 HA LEU 53 HA LEU 53 -1.776 6.057 2.293 454 HB2 LEU 53 HB2 LEU 53 -0.564 3.624 3.580 455 HB3 LEU 53 HB1 LEU 53 -0.965 3.617 1.880 456 HG LEU 53 HG LEU 53 0.795 5.760 3.011 457 HD11 LEU 53 HD11 LEU 53 1.617 2.998 2.137 458 HD12 LEU 53 HD12 LEU 53 1.837 3.720 3.731 459 HD13 LEU 53 HD13 LEU 53 2.727 4.352 2.345 460 HD21 LEU 53 HD21 LEU 53 0.489 4.489 0.293 461 HD22 LEU 53 HD22 LEU 53 1.671 5.735 0.703 462 HD23 LEU 53 HD23 LEU 53 -0.052 6.101 0.772 463 H VAL 54 HN VAL 54 -2.865 3.545 4.512 464 HA VAL 54 HA VAL 54 -4.762 2.298 2.879 465 HB VAL 54 HB VAL 54 -4.527 2.553 5.872 466 HG11 VAL 54 HG11 VAL 54 -6.741 1.509 4.269 467 HG12 VAL 54 HG12 VAL 54 -6.700 2.006 5.958 468 HG13 VAL 54 HG13 VAL 54 -6.142 0.399 5.498 469 HG21 VAL 54 HG21 VAL 54 -3.872 0.426 3.859 470 HG22 VAL 54 HG22 VAL 54 -3.987 0.088 5.587 471 HG23 VAL 54 HG23 VAL 54 -2.788 1.237 4.990 472 H MET 55 HN MET 55 -5.317 4.641 5.489 473 HA MET 55 HA MET 55 -7.999 5.051 5.206 474 HB2 MET 55 HB2 MET 55 -6.361 6.087 6.888 475 HB3 MET 55 HB1 MET 55 -6.116 7.339 5.691 476 HG2 MET 55 HG2 MET 55 -7.803 8.391 6.674 477 HG3 MET 55 HG1 MET 55 -8.834 7.217 5.868 478 HE1 MET 55 HE1 MET 55 -7.818 4.663 7.286 479 HE2 MET 55 HE2 MET 55 -9.581 4.765 7.266 480 HE3 MET 55 HE3 MET 55 -8.735 4.426 8.776 481 H ALA 56 HN ALA 56 -5.413 6.851 3.586 482 HA ALA 56 HA ALA 56 -6.964 8.524 2.008 483 HB1 ALA 56 HB1 ALA 56 -4.393 8.405 2.354 484 HB2 ALA 56 HB2 ALA 56 -5.036 9.017 0.832 485 HB3 ALA 56 HB3 ALA 56 -4.428 7.365 0.933 486 H TYR 57 HN TYR 57 -5.953 5.195 1.474 487 HA TYR 57 HA TYR 57 -6.791 4.939 -1.190 488 HB2 TYR 57 HB2 TYR 57 -5.382 3.257 -0.107 489 HB3 TYR 57 HB1 TYR 57 -6.699 2.835 0.984 490 HD1 TYR 57 HD1 TYR 57 -5.655 2.831 -2.552 491 HD2 TYR 57 HD2 TYR 57 -8.358 1.294 0.335 492 HE1 TYR 57 HE1 TYR 57 -6.506 1.226 -4.213 493 HE2 TYR 57 HE2 TYR 57 -9.215 -0.321 -1.306 494 HH TYR 57 HH TYR 57 -9.350 -0.565 -3.748 495 H GLU 58 HN GLU 58 -8.460 4.095 1.830 496 HA GLU 58 HA GLU 58 -10.914 3.423 0.602 497 HB2 GLU 58 HB2 GLU 58 -10.638 4.372 3.405 498 HB3 GLU 58 HB1 GLU 58 -11.802 3.236 2.766 499 HG2 GLU 58 HG2 GLU 58 -10.109 1.574 2.497 500 HG3 GLU 58 HG1 GLU 58 -8.846 2.720 2.939 501 H GLU 59 HN GLU 59 -9.407 6.375 1.081 502 HA GLU 59 HA GLU 59 -11.763 7.968 1.496 503 HB2 GLU 59 HB2 GLU 59 -10.207 9.427 2.165 504 HB3 GLU 59 HB1 GLU 59 -8.931 8.356 1.599 505 HG2 GLU 59 HG2 GLU 59 -9.005 9.365 -0.585 506 HG3 GLU 59 HG1 GLU 59 -10.364 10.380 -0.103 507 H LYS 60 HN LYS 60 -9.583 7.282 -1.212 508 HA LYS 60 HA LYS 60 -10.982 8.856 -3.106 509 HB2 LYS 60 HB2 LYS 60 -9.254 6.460 -3.704 510 HB3 LYS 60 HB1 LYS 60 -9.575 7.837 -4.746 511 HG2 LYS 60 HG2 LYS 60 -7.963 9.049 -3.826 512 HG3 LYS 60 HG1 LYS 60 -8.409 8.575 -2.186 513 HD2 LYS 60 HD2 LYS 60 -6.348 7.605 -2.351 514 HD3 LYS 60 HD1 LYS 60 -7.360 6.282 -2.924 515 HE2 LYS 60 HE2 LYS 60 -5.490 6.510 -4.410 516 HE3 LYS 60 HE1 LYS 60 -6.947 7.042 -5.249 517 HZ1 LYS 60 HZ1 LYS 60 -5.081 8.542 -5.627 518 HZ2 LYS 60 HZ2 LYS 60 -4.957 8.835 -3.966 519 HZ3 LYS 60 HZ3 LYS 60 -6.338 9.327 -4.811 520 H GLU 61 HN GLU 61 -11.062 5.440 -2.231 521 HA GLU 61 HA GLU 61 -12.866 4.630 -4.243 522 HB2 GLU 61 HB2 GLU 61 -12.293 3.395 -1.551 523 HB3 GLU 61 HB1 GLU 61 -13.165 2.608 -2.860 524 HG2 GLU 61 HG2 GLU 61 -10.302 3.530 -2.954 525 HG3 GLU 61 HG1 GLU 61 -10.853 1.871 -2.746 526 H GLU 62 HN GLU 62 -13.415 5.417 -0.809 527 HA GLU 62 HA GLU 62 -16.144 4.923 -0.748 528 HB2 GLU 62 HB2 GLU 62 -16.253 6.192 1.236 529 HB3 GLU 62 HB1 GLU 62 -14.632 5.518 1.205 530 HG2 GLU 62 HG2 GLU 62 -14.048 7.614 1.741 531 HG3 GLU 62 HG1 GLU 62 -14.169 7.865 0.002 532 H ARG 63 HN ARG 63 -14.402 7.767 -1.877 533 HA ARG 63 HA ARG 63 -16.617 9.459 -2.241 534 HB2 ARG 63 HB2 ARG 63 -13.842 9.350 -3.278 535 HB3 ARG 63 HB1 ARG 63 -14.997 10.356 -4.138 536 HG2 ARG 63 HG2 ARG 63 -15.547 11.286 -1.793 537 HG3 ARG 63 HG1 ARG 63 -13.967 10.630 -1.360 538 HD2 ARG 63 HD2 ARG 63 -12.899 11.959 -3.048 539 HD3 ARG 63 HD1 ARG 63 -14.462 12.486 -3.674 540 HE ARG 63 HE ARG 63 -13.989 13.164 -0.911 541 HH11 ARG 63 HH11 ARG 63 -13.635 14.168 -4.230 542 HH12 ARG 63 HH12 ARG 63 -13.546 15.854 -3.843 543 HH21 ARG 63 HH21 ARG 63 -13.875 15.380 -0.396 544 HH22 ARG 63 HH22 ARG 63 -13.682 16.543 -1.665 545 H ASP 64 HN ASP 64 -14.924 7.406 -4.607 546 HA ASP 64 HA ASP 64 -16.957 7.872 -6.602 547 HB2 ASP 64 HB2 ASP 64 -14.510 7.592 -7.118 548 HB3 ASP 64 HB1 ASP 64 -14.689 5.897 -6.707 549 H ARG 65 HN ARG 65 -15.617 4.869 -5.246 550 HA ARG 65 HA ARG 65 -17.533 3.115 -6.092 551 HB2 ARG 65 HB2 ARG 65 -16.116 3.019 -3.430 552 HB3 ARG 65 HB1 ARG 65 -16.898 1.661 -4.228 553 HG2 ARG 65 HG2 ARG 65 -15.272 2.164 -6.171 554 HG3 ARG 65 HG1 ARG 65 -14.369 3.076 -4.958 555 HD2 ARG 65 HD2 ARG 65 -13.521 0.810 -5.122 556 HD3 ARG 65 HD1 ARG 65 -14.261 1.096 -3.548 557 HE ARG 65 HE ARG 65 -16.262 0.009 -5.037 558 HH11 ARG 65 HH11 ARG 65 -13.011 -0.956 -4.237 559 HH12 ARG 65 HH12 ARG 65 -13.361 -2.651 -4.296 560 HH21 ARG 65 HH21 ARG 65 -16.733 -2.221 -5.115 561 HH22 ARG 65 HH22 ARG 65 -15.477 -3.370 -4.795 562 H ALA 66 HN ALA 66 -17.691 5.294 -3.343 563 HA ALA 66 HA ALA 66 -19.320 5.798 -1.848 564 HB1 ALA 66 HB1 ALA 66 -20.228 6.512 -4.093 565 HB2 ALA 66 HB2 ALA 66 -21.398 6.331 -2.786 566 HB3 ALA 66 HB3 ALA 66 -21.255 5.081 -4.022 567 H SER 67 HN SER 67 -21.442 3.506 -3.463 568 HA SER 67 HA SER 67 -21.143 1.615 -1.250 569 HB2 SER 67 HB2 SER 67 -22.970 3.091 -0.570 570 HB3 SER 67 HB1 SER 67 -23.790 2.809 -2.106 571 HG SER 67 HG SER 67 -24.227 1.474 -0.004 572 H GLY 68 HN GLY 68 -23.189 2.179 -4.131 573 HA2 GLY 68 HA2 GLY 68 -23.549 0.859 -5.984 574 HA3 GLY 68 HA1 GLY 68 -22.134 -0.075 -5.519 575 H TYR 69 HN TYR 69 -25.594 0.245 -5.220 576 HA TYR 69 HA TYR 69 -25.893 -2.061 -3.525 577 HB2 TYR 69 HB2 TYR 69 -27.465 -0.085 -3.561 578 HB3 TYR 69 HB1 TYR 69 -28.039 -0.663 -5.121 579 HD1 TYR 69 HD2 TYR 69 -27.889 -1.402 -1.516 580 HD2 TYR 69 HD1 TYR 69 -29.514 -2.545 -5.276 581 HE1 TYR 69 HE2 TYR 69 -29.487 -2.879 -0.370 582 HE2 TYR 69 HE1 TYR 69 -31.115 -4.021 -4.144 583 HH TYR 69 HH TYR 69 -31.352 -5.202 -2.021 584 H ARG 70 HN ARG 70 -26.548 -1.316 -6.925 585 HA ARG 70 HA ARG 70 -26.237 -4.150 -7.561 586 HB2 ARG 70 HB2 ARG 70 -28.728 -3.301 -7.262 587 HB3 ARG 70 HB1 ARG 70 -28.474 -2.686 -8.887 588 HG2 ARG 70 HG2 ARG 70 -27.931 -4.914 -9.664 589 HG3 ARG 70 HG1 ARG 70 -28.151 -5.554 -8.035 590 HD2 ARG 70 HD2 ARG 70 -30.501 -4.728 -8.115 591 HD3 ARG 70 HD1 ARG 70 -30.231 -4.279 -9.798 592 HE ARG 70 HE ARG 70 -29.546 -6.966 -9.510 593 HH11 ARG 70 HH11 ARG 70 -32.373 -4.938 -9.327 594 HH12 ARG 70 HH12 ARG 70 -33.462 -6.191 -9.821 595 HH21 ARG 70 HH21 ARG 70 -30.973 -8.622 -10.161 596 HH22 ARG 70 HH22 ARG 70 -32.667 -8.285 -10.292 597 H LYS 71 HN LYS 71 -27.339 -3.480 -10.293 598 HA LYS 71 HA LYS 71 -24.850 -2.750 -11.484 599 HB2 LYS 71 HB2 LYS 71 -26.400 -4.355 -12.533 600 HB3 LYS 71 HB1 LYS 71 -27.580 -3.069 -12.747 601 HG2 LYS 71 HG2 LYS 71 -26.051 -1.897 -14.237 602 HG3 LYS 71 HG1 LYS 71 -24.849 -3.169 -14.010 603 HD2 LYS 71 HD2 LYS 71 -26.389 -4.800 -14.986 604 HD3 LYS 71 HD1 LYS 71 -27.598 -3.531 -15.204 605 HE2 LYS 71 HE2 LYS 71 -26.406 -3.979 -17.285 606 HE3 LYS 71 HE1 LYS 71 -26.085 -2.343 -16.708 607 HZ1 LYS 71 HZ1 LYS 71 -24.283 -4.676 -16.336 608 HZ2 LYS 71 HZ2 LYS 71 -23.972 -3.091 -15.834 609 HZ3 LYS 71 HZ3 LYS 71 -24.072 -3.450 -17.484 610 H1 ALA 15 HT1 ALA 15 14.823 11.443 8.433 611 H2 ALA 15 HT2 ALA 15 13.555 12.552 8.582 612 H3 ALA 15 HT3 ALA 15 13.398 11.223 7.547 613 HA ALA 15 HA ALA 15 13.648 11.097 10.496 614 HB1 ALA 15 HB1 ALA 15 11.323 10.431 10.509 615 HB2 ALA 15 HB2 ALA 15 11.253 10.543 8.750 616 HB3 ALA 15 HB3 ALA 15 11.492 11.998 9.718 617 HA PRO 16 HA PRO 16 15.097 7.086 8.669 618 HB2 PRO 16 HB2 PRO 16 16.947 6.610 10.613 619 HB3 PRO 16 HB1 PRO 16 17.286 7.560 9.163 620 HG2 PRO 16 HG2 PRO 16 16.613 8.493 11.924 621 HG3 PRO 16 HG1 PRO 16 17.829 9.118 10.796 622 HD2 PRO 16 HD2 PRO 16 15.439 10.322 11.157 623 HD3 PRO 16 HD1 PRO 16 16.276 10.324 9.591 624 H ARG 17 HN ARG 17 14.194 8.024 11.935 625 HA ARG 17 HA ARG 17 13.464 5.259 12.573 626 HB2 ARG 17 HB2 ARG 17 14.809 6.687 14.180 627 HB3 ARG 17 HB1 ARG 17 13.359 7.653 14.410 628 HG2 ARG 17 HG2 ARG 17 13.223 4.706 14.826 629 HG3 ARG 17 HG1 ARG 17 13.953 5.726 16.065 630 HD2 ARG 17 HD2 ARG 17 11.884 7.084 16.108 631 HD3 ARG 17 HD1 ARG 17 11.162 5.971 14.947 632 HE ARG 17 HE ARG 17 12.005 4.410 17.051 633 HH11 ARG 17 HH11 ARG 17 9.823 7.093 16.618 634 HH12 ARG 17 HH12 ARG 17 8.775 6.614 17.911 635 HH21 ARG 17 HH21 ARG 17 10.628 3.773 18.753 636 HH22 ARG 17 HH22 ARG 17 9.230 4.728 19.122 637 H LYS 18 HN LYS 18 12.051 8.529 12.634 638 HA LYS 18 HA LYS 18 9.403 7.557 13.109 639 HB2 LYS 18 HB2 LYS 18 10.430 10.267 12.259 640 HB3 LYS 18 HB1 LYS 18 8.740 9.927 12.605 641 HG2 LYS 18 HG2 LYS 18 9.469 9.190 14.895 642 HG3 LYS 18 HG1 LYS 18 11.064 9.836 14.507 643 HD2 LYS 18 HD2 LYS 18 10.102 12.043 14.147 644 HD3 LYS 18 HD1 LYS 18 8.488 11.407 14.473 645 HE2 LYS 18 HE2 LYS 18 10.798 11.533 16.408 646 HE3 LYS 18 HE1 LYS 18 9.350 12.538 16.436 647 HZ1 LYS 18 HZ1 LYS 18 9.433 9.594 16.827 648 HZ2 LYS 18 HZ2 LYS 18 8.030 10.538 16.817 649 HZ3 LYS 18 HZ3 LYS 18 9.182 10.752 18.036 650 H GLN 19 HN GLN 19 7.692 7.383 11.703 651 HA GLN 19 HA GLN 19 8.297 7.638 8.834 652 HB2 GLN 19 HB2 GLN 19 6.769 5.381 10.146 653 HB3 GLN 19 HB1 GLN 19 7.020 5.579 8.417 654 HG2 GLN 19 HG2 GLN 19 9.385 5.245 8.670 655 HG3 GLN 19 HG1 GLN 19 9.231 5.210 10.425 656 HE21 GLN 19 HE21 GLN 19 6.919 3.708 8.291 657 HE22 GLN 19 HE22 GLN 19 7.317 2.074 8.686 658 H LEU 20 HN LEU 20 6.830 9.331 10.815 659 HA LEU 20 HA LEU 20 4.152 9.250 9.595 660 HB2 LEU 20 HB2 LEU 20 4.755 9.191 12.234 661 HB3 LEU 20 HB1 LEU 20 4.603 10.920 11.990 662 HG LEU 20 HG LEU 20 2.504 10.000 12.771 663 HD11 LEU 20 HD11 LEU 20 2.363 10.774 9.861 664 HD12 LEU 20 HD12 LEU 20 2.387 11.880 11.235 665 HD13 LEU 20 HD13 LEU 20 1.017 10.795 11.002 666 HD21 LEU 20 HD21 LEU 20 2.583 8.260 10.309 667 HD22 LEU 20 HD22 LEU 20 1.244 8.380 11.450 668 HD23 LEU 20 HD23 LEU 20 2.791 7.712 11.972 669 H ALA 21 HN ALA 21 5.839 10.332 7.917 670 HA ALA 21 HA ALA 21 5.007 13.072 7.767 671 HB1 ALA 21 HB1 ALA 21 7.240 14.066 7.690 672 HB2 ALA 21 HB2 ALA 21 7.952 12.504 8.094 673 HB3 ALA 21 HB3 ALA 21 6.918 13.330 9.259 674 H THR 22 HN THR 22 5.578 10.251 6.378 675 HA THR 22 HA THR 22 5.476 11.287 3.724 676 HB THR 22 HB THR 22 7.876 11.522 4.011 677 HG1 THR 22 HG1 THR 22 6.991 10.642 1.994 678 HG21 THR 22 HG21 THR 22 9.306 9.580 4.471 679 HG22 THR 22 HG22 THR 22 7.873 8.581 4.705 680 HG23 THR 22 HG23 THR 22 8.212 9.909 5.814 681 H LYS 23 HN LYS 23 4.357 9.309 5.790 682 HA LYS 23 HA LYS 23 3.323 7.297 5.832 683 HB2 LYS 23 HB2 LYS 23 3.370 7.618 2.829 684 HB3 LYS 23 HB1 LYS 23 2.348 6.501 3.721 685 HG2 LYS 23 HG2 LYS 23 1.189 8.353 4.778 686 HG3 LYS 23 HG1 LYS 23 2.260 9.502 3.969 687 HD2 LYS 23 HD2 LYS 23 1.441 8.668 1.786 688 HD3 LYS 23 HD1 LYS 23 0.315 7.614 2.642 689 HE2 LYS 23 HE2 LYS 23 -0.834 9.612 1.922 690 HE3 LYS 23 HE1 LYS 23 -0.710 9.602 3.680 691 HZ1 LYS 23 HZ1 LYS 23 1.201 11.100 3.491 692 HZ2 LYS 23 HZ2 LYS 23 -0.198 11.778 2.824 693 HZ3 LYS 23 HZ3 LYS 23 1.002 11.150 1.811 694 H ALA 24 HN ALA 24 4.612 6.356 2.745 695 HA ALA 24 HA ALA 24 6.075 4.754 2.088 696 HB1 ALA 24 HB1 ALA 24 7.443 5.272 4.719 697 HB2 ALA 24 HB2 ALA 24 7.715 6.177 3.229 698 HB3 ALA 24 HB3 ALA 24 8.139 4.467 3.312 699 H ALA 25 HN ALA 25 6.760 2.547 2.422 700 HA ALA 25 HA ALA 25 5.813 1.084 4.711 701 HB1 ALA 25 HB1 ALA 25 4.225 -0.327 3.557 702 HB2 ALA 25 HB2 ALA 25 4.498 0.548 2.050 703 HB3 ALA 25 HB3 ALA 25 3.731 1.361 3.415 704 H ARG 26 HN ARG 26 6.071 -1.387 4.215 705 HA ARG 26 HA ARG 26 8.736 -1.689 3.092 706 HB2 ARG 26 HB2 ARG 26 8.455 -4.063 4.032 707 HB3 ARG 26 HB1 ARG 26 8.569 -2.734 5.176 708 HG2 ARG 26 HG2 ARG 26 6.116 -2.736 5.387 709 HG3 ARG 26 HG1 ARG 26 6.046 -4.122 4.296 710 HD2 ARG 26 HD2 ARG 26 5.921 -4.724 6.709 711 HD3 ARG 26 HD1 ARG 26 7.258 -5.484 5.847 712 HE ARG 26 HE ARG 26 8.409 -3.283 6.883 713 HH11 ARG 26 HH11 ARG 26 6.424 -5.782 8.289 714 HH12 ARG 26 HH12 ARG 26 7.159 -5.662 9.853 715 HH21 ARG 26 HH21 ARG 26 9.380 -3.121 8.938 716 HH22 ARG 26 HH22 ARG 26 8.837 -4.150 10.221 717 H MLY 27 HN MLY 27 9.304 -3.160 1.483 718 HA MLY 27 HA MLY 27 7.064 -4.160 -0.155 719 HB2 MLY 27 HB2 MLY 27 8.280 -2.193 -1.140 720 HB3 MLY 27 HB1 MLY 27 9.726 -3.190 -1.201 721 HG2 MLY 27 HG2 MLY 27 7.684 -4.674 -2.440 722 HG3 MLY 27 HG1 MLY 27 7.563 -3.029 -3.061 723 HD2 MLY 27 HD2 MLY 27 10.093 -4.674 -2.996 724 HD3 MLY 27 HD1 MLY 27 9.057 -4.468 -4.410 725 HE2 MLY 27 HE2 MLY 27 10.505 -2.268 -2.936 726 HE3 MLY 27 HE1 MLY 27 10.983 -2.963 -4.483 727 HH11 MLY 27 HH11 MLY 27 10.886 -0.457 -4.985 728 HH12 MLY 27 HH12 MLY 27 9.294 0.294 -5.019 729 HH13 MLY 27 HH13 MLY 27 10.045 -0.106 -3.475 730 HH21 MLY 27 HH21 MLY 27 10.078 -2.246 -6.438 731 HH22 MLY 27 HH22 MLY 27 8.631 -3.148 -5.995 732 HH23 MLY 27 HH23 MLY 27 8.501 -1.456 -6.477 733 HZ MLY 27 HZ MLY 27 8.357 -1.727 -4.074 734 H SER 28 HN SER 28 10.277 -4.716 1.105 735 HA SER 28 HA SER 28 10.580 -7.235 -0.267 736 HB2 SER 28 HB2 SER 28 12.515 -5.741 0.247 737 HB3 SER 28 HB1 SER 28 12.279 -6.103 1.956 738 HG SER 28 HG SER 28 13.590 -7.527 0.127 739 H ALA 29 HN ALA 29 8.258 -7.407 1.060 740 HA ALA 29 HA ALA 29 8.617 -8.595 3.657 741 HB1 ALA 29 HB1 ALA 29 6.608 -7.311 3.194 742 HB2 ALA 29 HB2 ALA 29 6.199 -8.979 3.591 743 HB3 ALA 29 HB3 ALA 29 6.163 -8.438 1.913 744 HA PRO 30 HA PRO 30 7.555 -12.638 1.296 745 HB2 PRO 30 HB2 PRO 30 7.559 -12.670 -1.394 746 HB3 PRO 30 HB1 PRO 30 6.134 -12.184 -0.467 747 HG2 PRO 30 HG2 PRO 30 8.181 -10.478 -1.830 748 HG3 PRO 30 HG1 PRO 30 6.418 -10.297 -1.796 749 HD2 PRO 30 HD2 PRO 30 8.112 -8.867 -0.202 750 HD3 PRO 30 HD1 PRO 30 6.442 -9.261 0.250 Start of MODEL 11 1 H MET 1 HT1 MET 1 11.510 -18.701 5.704 2 HA MET 1 HA MET 1 10.025 -16.657 4.160 3 HB2 MET 1 HB2 MET 1 9.641 -19.580 4.614 4 HB3 MET 1 HB1 MET 1 8.212 -18.556 4.542 5 HG2 MET 1 HG2 MET 1 8.945 -17.753 2.328 6 HG3 MET 1 HG1 MET 1 10.315 -18.858 2.406 7 HE1 MET 1 HE1 MET 1 8.249 -18.757 0.012 8 HE2 MET 1 HE2 MET 1 7.913 -20.464 -0.278 9 HE3 MET 1 HE3 MET 1 9.565 -19.931 0.038 10 H GLU 2 HN GLU 2 7.824 -16.357 5.133 11 HA GLU 2 HA GLU 2 6.495 -15.648 6.811 12 HB2 GLU 2 HB2 GLU 2 8.009 -17.568 8.580 13 HB3 GLU 2 HB1 GLU 2 6.389 -16.935 8.839 14 HG2 GLU 2 HG2 GLU 2 5.568 -18.139 6.920 15 HG3 GLU 2 HG1 GLU 2 7.199 -18.694 6.534 16 H LEU 3 HN LEU 3 9.402 -16.271 8.782 17 HA LEU 3 HA LEU 3 10.091 -13.494 8.909 18 HB2 LEU 3 HB2 LEU 3 8.063 -14.142 10.569 19 HB3 LEU 3 HB1 LEU 3 9.424 -14.536 11.598 20 HG LEU 3 HG LEU 3 8.623 -12.275 12.030 21 HD11 LEU 3 HD11 LEU 3 11.317 -12.350 10.680 22 HD12 LEU 3 HD12 LEU 3 10.976 -12.693 12.377 23 HD13 LEU 3 HD13 LEU 3 10.746 -11.064 11.744 24 HD21 LEU 3 HD21 LEU 3 8.769 -10.529 10.358 25 HD22 LEU 3 HD22 LEU 3 7.716 -11.824 9.789 26 HD23 LEU 3 HD23 LEU 3 9.360 -11.686 9.166 27 H SER 4 HN SER 4 12.131 -14.194 8.324 28 HA SER 4 HA SER 4 13.841 -14.993 10.462 29 HB2 SER 4 HB2 SER 4 14.665 -17.092 9.438 30 HB3 SER 4 HB1 SER 4 12.969 -17.208 9.907 31 HG SER 4 HG SER 4 12.456 -16.736 7.691 32 H ALA 5 HN ALA 5 13.610 -15.029 6.905 33 HA ALA 5 HA ALA 5 16.317 -13.969 6.704 34 HB1 ALA 5 HB1 ALA 5 14.394 -14.765 4.523 35 HB2 ALA 5 HB2 ALA 5 15.638 -15.804 5.220 36 HB3 ALA 5 HB3 ALA 5 16.098 -14.361 4.316 37 H ILE 6 HN ILE 6 13.027 -12.960 6.436 38 HA ILE 6 HA ILE 6 13.331 -10.652 4.867 39 HB ILE 6 HB ILE 6 11.346 -11.054 7.107 40 HG12 ILE 6 HG12 ILE 6 11.039 -11.748 4.178 41 HG13 ILE 6 HG11 ILE 6 11.387 -12.924 5.440 42 HG21 ILE 6 HG21 ILE 6 11.462 -8.761 6.324 43 HG22 ILE 6 HG22 ILE 6 9.951 -9.506 5.804 44 HG23 ILE 6 HG23 ILE 6 11.273 -9.299 4.655 45 HD11 ILE 6 HD11 ILE 6 9.265 -12.361 6.528 46 HD12 ILE 6 HD12 ILE 6 9.039 -12.944 4.879 47 HD13 ILE 6 HD13 ILE 6 8.916 -11.220 5.230 48 H GLY 7 HN GLY 7 15.064 -9.377 5.418 49 HA2 GLY 7 HA2 GLY 7 15.324 -8.471 8.179 50 HA3 GLY 7 HA1 GLY 7 16.478 -8.185 6.885 51 H GLU 8 HN GLU 8 13.296 -7.601 5.974 52 HA GLU 8 HA GLU 8 12.157 -5.714 5.389 53 HB2 GLU 8 HB2 GLU 8 13.383 -4.435 7.825 54 HB3 GLU 8 HB1 GLU 8 11.823 -4.095 7.090 55 HG2 GLU 8 HG2 GLU 8 10.918 -6.156 7.844 56 HG3 GLU 8 HG1 GLU 8 12.503 -6.734 8.355 57 H GLN 9 HN GLN 9 12.473 -3.147 5.303 58 HA GLN 9 HA GLN 9 15.022 -2.067 4.946 59 HB2 GLN 9 HB2 GLN 9 15.028 -1.892 2.446 60 HB3 GLN 9 HB1 GLN 9 15.336 -3.505 3.068 61 HG2 GLN 9 HG2 GLN 9 13.064 -4.168 2.579 62 HG3 GLN 9 HG1 GLN 9 12.681 -2.537 2.038 63 HE21 GLN 9 HE21 GLN 9 15.133 -2.089 0.637 64 HE22 GLN 9 HE22 GLN 9 15.104 -3.077 -0.778 65 H VAL 10 HN VAL 10 11.731 -2.062 3.619 66 HA VAL 10 HA VAL 10 10.166 -0.419 3.422 67 HB VAL 10 HB VAL 10 11.964 1.231 5.196 68 HG11 VAL 10 HG11 VAL 10 9.135 1.502 4.276 69 HG12 VAL 10 HG12 VAL 10 10.416 2.712 4.324 70 HG13 VAL 10 HG13 VAL 10 9.643 2.187 5.819 71 HG21 VAL 10 HG21 VAL 10 9.673 -0.568 6.004 72 HG22 VAL 10 HG22 VAL 10 10.686 0.405 7.074 73 HG23 VAL 10 HG23 VAL 10 11.383 -0.958 6.199 74 H PHE 11 HN PHE 11 9.698 1.328 2.088 75 HA PHE 11 HA PHE 11 11.976 2.735 0.911 76 HB2 PHE 11 HB2 PHE 11 9.910 1.130 -0.535 77 HB3 PHE 11 HB1 PHE 11 10.610 2.543 -1.316 78 HD1 PHE 11 HD2 PHE 11 13.343 2.568 -0.880 79 HD2 PHE 11 HD1 PHE 11 10.817 -0.835 -1.210 80 HE1 PHE 11 HE2 PHE 11 15.271 1.216 -1.595 81 HE2 PHE 11 HE1 PHE 11 12.738 -2.198 -1.926 82 HZ PHE 11 HZ PHE 11 14.969 -1.172 -2.121 83 H ALA 12 HN ALA 12 9.042 3.156 -0.744 84 HA ALA 12 HA ALA 12 7.859 5.154 0.889 85 HB1 ALA 12 HB1 ALA 12 8.417 7.000 -0.872 86 HB2 ALA 12 HB2 ALA 12 9.831 5.997 -1.185 87 HB3 ALA 12 HB3 ALA 12 9.552 6.647 0.431 88 H VAL 13 HN VAL 13 5.815 4.670 0.396 89 HA VAL 13 HA VAL 13 5.050 3.925 -2.302 90 HB VAL 13 HB VAL 13 3.547 4.033 0.311 91 HG11 VAL 13 HG11 VAL 13 1.764 2.879 -1.234 92 HG12 VAL 13 HG12 VAL 13 2.480 3.938 -2.452 93 HG13 VAL 13 HG13 VAL 13 1.778 4.626 -0.985 94 HG21 VAL 13 HG21 VAL 13 3.052 1.635 -0.660 95 HG22 VAL 13 HG22 VAL 13 4.498 1.979 0.307 96 HG23 VAL 13 HG23 VAL 13 4.607 1.912 -1.455 97 H GLU 14 HN GLU 14 4.287 5.319 -3.768 98 HA GLU 14 HA GLU 14 3.874 8.056 -3.269 99 HB2 GLU 14 HB2 GLU 14 4.282 7.132 -5.536 100 HB3 GLU 14 HB1 GLU 14 2.713 6.339 -5.486 101 HG2 GLU 14 HG2 GLU 14 1.641 8.558 -5.314 102 HG3 GLU 14 HG1 GLU 14 3.230 9.305 -5.482 103 H SER 15 HN SER 15 1.767 5.276 -3.490 104 HA SER 15 HA SER 15 0.022 5.742 -1.491 105 HB2 SER 15 HB2 SER 15 -2.006 6.681 -2.690 106 HB3 SER 15 HB1 SER 15 -0.718 7.849 -2.399 107 HG SER 15 HG SER 15 -0.951 8.187 -4.471 108 H ILE 16 HN ILE 16 -1.815 4.346 -1.521 109 HA ILE 16 HA ILE 16 -1.348 1.902 -2.771 110 HB ILE 16 HB ILE 16 -4.058 2.828 -1.808 111 HG12 ILE 16 HG12 ILE 16 -1.720 1.764 -0.218 112 HG13 ILE 16 HG11 ILE 16 -2.459 3.353 -0.070 113 HG21 ILE 16 HG21 ILE 16 -4.380 0.466 -1.259 114 HG22 ILE 16 HG22 ILE 16 -2.778 0.097 -1.905 115 HG23 ILE 16 HG23 ILE 16 -4.047 0.688 -2.978 116 HD11 ILE 16 HD11 ILE 16 -3.036 1.608 1.664 117 HD12 ILE 16 HD12 ILE 16 -4.017 0.848 0.428 118 HD13 ILE 16 HD13 ILE 16 -4.366 2.496 0.948 119 H ARG 17 HN ARG 17 -2.862 0.764 -4.248 120 HA ARG 17 HA ARG 17 -4.080 2.523 -6.267 121 HB2 ARG 17 HB2 ARG 17 -1.858 0.703 -6.586 122 HB3 ARG 17 HB1 ARG 17 -3.206 0.220 -7.601 123 HG2 ARG 17 HG2 ARG 17 -3.252 2.603 -8.419 124 HG3 ARG 17 HG1 ARG 17 -1.695 2.799 -7.613 125 HD2 ARG 17 HD2 ARG 17 -0.840 0.871 -8.926 126 HD3 ARG 17 HD1 ARG 17 -2.374 0.839 -9.796 127 HE ARG 17 HE ARG 17 -0.752 3.283 -9.822 128 HH11 ARG 17 HH11 ARG 17 -2.151 0.566 -11.500 129 HH12 ARG 17 HH12 ARG 17 -1.860 1.226 -13.075 130 HH21 ARG 17 HH21 ARG 17 -0.368 4.157 -11.891 131 HH22 ARG 17 HH22 ARG 17 -0.845 3.266 -13.297 132 H LYS 18 HN LYS 18 -3.848 -0.730 -4.904 133 HA LYS 18 HA LYS 18 -6.700 -1.110 -5.449 134 HB2 LYS 18 HB2 LYS 18 -4.609 -3.211 -5.923 135 HB3 LYS 18 HB1 LYS 18 -6.328 -3.344 -6.234 136 HG2 LYS 18 HG2 LYS 18 -6.230 -1.861 -8.033 137 HG3 LYS 18 HG1 LYS 18 -4.630 -1.286 -7.576 138 HD2 LYS 18 HD2 LYS 18 -3.743 -3.541 -8.044 139 HD3 LYS 18 HD1 LYS 18 -5.337 -4.003 -8.629 140 HE2 LYS 18 HE2 LYS 18 -3.786 -1.694 -9.730 141 HE3 LYS 18 HE1 LYS 18 -3.687 -3.319 -10.404 142 HZ1 LYS 18 HZ1 LYS 18 -6.147 -1.664 -10.189 143 HZ2 LYS 18 HZ2 LYS 18 -6.074 -3.231 -10.821 144 HZ3 LYS 18 HZ3 LYS 18 -5.277 -1.964 -11.610 145 H LYS 19 HN LYS 19 -7.473 -3.179 -4.318 146 HA LYS 19 HA LYS 19 -6.029 -3.860 -1.892 147 HB2 LYS 19 HB2 LYS 19 -7.283 -2.041 -1.010 148 HB3 LYS 19 HB1 LYS 19 -8.738 -2.539 -1.857 149 HG2 LYS 19 HG2 LYS 19 -8.761 -4.597 -0.461 150 HG3 LYS 19 HG1 LYS 19 -7.407 -3.935 0.449 151 HD2 LYS 19 HD2 LYS 19 -8.808 -1.990 1.031 152 HD3 LYS 19 HD1 LYS 19 -10.163 -2.744 0.189 153 HE2 LYS 19 HE2 LYS 19 -9.732 -4.751 1.717 154 HE3 LYS 19 HE1 LYS 19 -8.764 -3.651 2.684 155 HZ1 LYS 19 HZ1 LYS 19 -11.030 -3.791 3.506 156 HZ2 LYS 19 HZ2 LYS 19 -11.633 -3.280 2.011 157 HZ3 LYS 19 HZ3 LYS 19 -10.698 -2.229 2.949 158 H ARG 20 HN ARG 20 -6.140 -6.000 -1.685 159 HA ARG 20 HA ARG 20 -8.610 -7.351 -2.505 160 HB2 ARG 20 HB2 ARG 20 -7.547 -8.922 -3.818 161 HB3 ARG 20 HB1 ARG 20 -6.602 -7.488 -4.168 162 HG2 ARG 20 HG2 ARG 20 -4.835 -8.210 -2.742 163 HG3 ARG 20 HG1 ARG 20 -5.806 -9.553 -2.131 164 HD2 ARG 20 HD2 ARG 20 -5.856 -10.520 -4.384 165 HD3 ARG 20 HD1 ARG 20 -4.859 -9.190 -4.969 166 HE ARG 20 HE ARG 20 -3.781 -10.791 -2.792 167 HH11 ARG 20 HH11 ARG 20 -3.834 -10.078 -6.203 168 HH12 ARG 20 HH12 ARG 20 -2.321 -10.858 -6.521 169 HH21 ARG 20 HH21 ARG 20 -1.789 -11.822 -3.203 170 HH22 ARG 20 HH22 ARG 20 -1.160 -11.849 -4.816 171 H VAL 21 HN VAL 21 -9.334 -8.854 -1.119 172 HA VAL 21 HA VAL 21 -7.633 -9.434 1.214 173 HB VAL 21 HB VAL 21 -10.639 -9.150 1.075 174 HG11 VAL 21 HG11 VAL 21 -8.989 -9.787 3.512 175 HG12 VAL 21 HG12 VAL 21 -9.860 -11.009 2.582 176 HG13 VAL 21 HG13 VAL 21 -10.748 -9.716 3.386 177 HG21 VAL 21 HG21 VAL 21 -8.755 -7.644 2.848 178 HG22 VAL 21 HG22 VAL 21 -10.389 -7.207 2.333 179 HG23 VAL 21 HG23 VAL 21 -9.049 -7.118 1.187 180 H ARG 22 HN ARG 22 -7.762 -11.520 2.156 181 HA ARG 22 HA ARG 22 -9.017 -13.619 0.528 182 HB2 ARG 22 HB2 ARG 22 -6.540 -13.388 0.050 183 HB3 ARG 22 HB1 ARG 22 -6.246 -13.845 1.718 184 HG2 ARG 22 HG2 ARG 22 -7.558 -15.948 1.237 185 HG3 ARG 22 HG1 ARG 22 -7.453 -15.491 -0.466 186 HD2 ARG 22 HD2 ARG 22 -4.952 -15.321 -0.117 187 HD3 ARG 22 HD1 ARG 22 -5.209 -16.115 1.432 188 HE ARG 22 HE ARG 22 -6.436 -17.669 -0.531 189 HH11 ARG 22 HH11 ARG 22 -3.230 -16.657 0.392 190 HH12 ARG 22 HH12 ARG 22 -2.464 -18.080 -0.229 191 HH21 ARG 22 HH21 ARG 22 -5.433 -19.544 -1.351 192 HH22 ARG 22 HH22 ARG 22 -3.715 -19.720 -1.219 193 H LYS 23 HN LYS 23 -10.616 -14.116 1.987 194 HA LYS 23 HA LYS 23 -11.599 -14.982 3.852 195 HB2 LYS 23 HB2 LYS 23 -8.796 -15.981 4.296 196 HB3 LYS 23 HB1 LYS 23 -10.139 -16.402 5.348 197 HG2 LYS 23 HG2 LYS 23 -11.150 -17.718 3.757 198 HG3 LYS 23 HG1 LYS 23 -10.375 -16.876 2.420 199 HD2 LYS 23 HD2 LYS 23 -9.419 -19.081 2.647 200 HD3 LYS 23 HD1 LYS 23 -8.218 -17.860 3.078 201 HE2 LYS 23 HE2 LYS 23 -8.849 -18.213 5.467 202 HE3 LYS 23 HE1 LYS 23 -9.842 -19.573 4.948 203 HZ1 LYS 23 HZ1 LYS 23 -7.652 -20.285 5.702 204 HZ2 LYS 23 HZ2 LYS 23 -6.912 -19.327 4.521 205 HZ3 LYS 23 HZ3 LYS 23 -7.874 -20.641 4.062 206 H GLY 24 HN GLY 24 -9.592 -12.488 3.835 207 HA2 GLY 24 HA2 GLY 24 -10.351 -10.821 5.604 208 HA3 GLY 24 HA1 GLY 24 -9.691 -11.997 6.728 209 H LYS 25 HN LYS 25 -7.606 -12.566 4.550 210 HA LYS 25 HA LYS 25 -5.601 -10.836 5.573 211 HB2 LYS 25 HB2 LYS 25 -5.493 -12.622 3.143 212 HB3 LYS 25 HB1 LYS 25 -4.114 -11.940 3.986 213 HG2 LYS 25 HG2 LYS 25 -4.582 -13.272 5.932 214 HG3 LYS 25 HG1 LYS 25 -6.075 -13.867 5.204 215 HD2 LYS 25 HD2 LYS 25 -4.519 -15.589 4.860 216 HD3 LYS 25 HD1 LYS 25 -4.609 -14.735 3.316 217 HE2 LYS 25 HE2 LYS 25 -2.598 -13.448 3.960 218 HE3 LYS 25 HE1 LYS 25 -2.482 -14.416 5.428 219 HZ1 LYS 25 HZ1 LYS 25 -2.250 -16.397 4.035 220 HZ2 LYS 25 HZ2 LYS 25 -1.017 -15.278 3.738 221 HZ3 LYS 25 HZ3 LYS 25 -2.297 -15.433 2.643 222 H VAL 26 HN VAL 26 -5.781 -8.718 5.104 223 HA VAL 26 HA VAL 26 -6.704 -7.834 2.520 224 HB VAL 26 HB VAL 26 -5.601 -6.189 4.791 225 HG11 VAL 26 HG11 VAL 26 -7.333 -5.386 2.459 226 HG12 VAL 26 HG12 VAL 26 -5.600 -5.078 2.583 227 HG13 VAL 26 HG13 VAL 26 -6.714 -4.322 3.723 228 HG21 VAL 26 HG21 VAL 26 -8.491 -6.404 4.175 229 HG22 VAL 26 HG22 VAL 26 -7.699 -6.004 5.698 230 HG23 VAL 26 HG23 VAL 26 -7.728 -7.674 5.127 231 H GLU 27 HN GLU 27 -5.555 -6.853 0.949 232 HA GLU 27 HA GLU 27 -2.670 -6.495 1.288 233 HB2 GLU 27 HB2 GLU 27 -4.001 -7.858 -1.060 234 HB3 GLU 27 HB1 GLU 27 -2.299 -7.451 -0.954 235 HG2 GLU 27 HG2 GLU 27 -1.956 -9.001 0.821 236 HG3 GLU 27 HG1 GLU 27 -3.688 -9.277 0.978 237 H TYR 28 HN TYR 28 -1.797 -4.840 -0.081 238 HA TYR 28 HA TYR 28 -3.832 -3.195 -1.423 239 HB2 TYR 28 HB2 TYR 28 -1.833 -2.354 0.646 240 HB3 TYR 28 HB1 TYR 28 -2.528 -1.190 -0.465 241 HD1 TYR 28 HD1 TYR 28 -5.235 -1.411 -0.593 242 HD2 TYR 28 HD2 TYR 28 -2.811 -2.517 2.727 243 HE1 TYR 28 HE1 TYR 28 -7.161 -1.161 0.899 244 HE2 TYR 28 HE2 TYR 28 -4.739 -2.262 4.220 245 HH TYR 28 HH TYR 28 -7.915 -1.983 3.096 246 H LEU 29 HN LEU 29 -3.267 -3.116 -3.517 247 HA LEU 29 HA LEU 29 -0.591 -3.418 -4.441 248 HB2 LEU 29 HB2 LEU 29 -2.795 -3.821 -5.763 249 HB3 LEU 29 HB1 LEU 29 -2.812 -2.085 -5.997 250 HG LEU 29 HG LEU 29 -1.831 -3.611 -7.862 251 HD11 LEU 29 HD11 LEU 29 -1.795 -1.134 -7.725 252 HD12 LEU 29 HD12 LEU 29 -0.439 -1.841 -8.597 253 HD13 LEU 29 HD13 LEU 29 -0.219 -1.250 -6.949 254 HD21 LEU 29 HD21 LEU 29 0.518 -3.389 -6.014 255 HD22 LEU 29 HD22 LEU 29 0.566 -3.988 -7.669 256 HD23 LEU 29 HD23 LEU 29 -0.319 -4.881 -6.430 257 H VAL 30 HN VAL 30 0.597 -1.830 -3.253 258 HA VAL 30 HA VAL 30 -0.200 0.931 -3.573 259 HB VAL 30 HB VAL 30 1.950 1.369 -2.267 260 HG11 VAL 30 HG11 VAL 30 -0.189 1.589 -1.237 261 HG12 VAL 30 HG12 VAL 30 0.845 0.682 -0.135 262 HG13 VAL 30 HG13 VAL 30 -0.367 -0.159 -1.101 263 HG21 VAL 30 HG21 VAL 30 2.582 -0.595 -0.840 264 HG22 VAL 30 HG22 VAL 30 3.144 -0.648 -2.513 265 HG23 VAL 30 HG23 VAL 30 1.754 -1.616 -2.016 266 H LYS 31 HN LYS 31 0.682 2.434 -4.804 267 HA LYS 31 HA LYS 31 2.593 1.589 -6.827 268 HB2 LYS 31 HB2 LYS 31 0.552 2.823 -7.502 269 HB3 LYS 31 HB1 LYS 31 1.076 4.194 -6.534 270 HG2 LYS 31 HG2 LYS 31 3.069 4.412 -7.954 271 HG3 LYS 31 HG1 LYS 31 2.492 3.070 -8.944 272 HD2 LYS 31 HD2 LYS 31 0.457 4.362 -9.461 273 HD3 LYS 31 HD1 LYS 31 1.095 5.712 -8.520 274 HE2 LYS 31 HE2 LYS 31 2.344 4.510 -10.989 275 HE3 LYS 31 HE1 LYS 31 1.486 6.047 -10.901 276 HZ1 LYS 31 HZ1 LYS 31 4.004 5.388 -9.471 277 HZ2 LYS 31 HZ2 LYS 31 3.181 6.862 -9.383 278 HZ3 LYS 31 HZ3 LYS 31 3.875 6.368 -10.844 279 H TRP 32 HN TRP 32 4.649 1.762 -6.324 280 HA TRP 32 HA TRP 32 5.664 3.339 -4.217 281 HB2 TRP 32 HB2 TRP 32 7.077 1.991 -6.518 282 HB3 TRP 32 HB1 TRP 32 7.870 2.638 -5.091 283 HD1 TRP 32 HD1 TRP 32 6.395 -0.461 -6.407 284 HE1 TRP 32 HE1 TRP 32 6.193 -2.227 -4.552 285 HE3 TRP 32 HE3 TRP 32 7.182 2.530 -2.344 286 HZ2 TRP 32 HZ2 TRP 32 6.358 -2.346 -1.743 287 HZ3 TRP 32 HZ3 TRP 32 7.173 1.509 -0.104 288 HH2 TRP 32 HH2 TRP 32 6.752 -0.883 0.186 289 H LYS 33 HN LYS 33 6.482 5.339 -4.146 290 HA LYS 33 HA LYS 33 6.016 7.183 -6.223 291 HB2 LYS 33 HB2 LYS 33 6.146 7.782 -3.822 292 HB3 LYS 33 HB1 LYS 33 7.876 7.467 -3.856 293 HG2 LYS 33 HG2 LYS 33 8.347 9.413 -4.884 294 HG3 LYS 33 HG1 LYS 33 6.885 9.370 -5.869 295 HD2 LYS 33 HD2 LYS 33 6.717 11.215 -4.349 296 HD3 LYS 33 HD1 LYS 33 5.578 9.966 -3.841 297 HE2 LYS 33 HE2 LYS 33 6.662 10.786 -1.884 298 HE3 LYS 33 HE1 LYS 33 7.301 9.177 -2.216 299 HZ1 LYS 33 HZ1 LYS 33 9.239 10.211 -3.246 300 HZ2 LYS 33 HZ2 LYS 33 9.071 10.692 -1.632 301 HZ3 LYS 33 HZ3 LYS 33 8.631 11.747 -2.878 302 H GLY 34 HN GLY 34 7.278 7.948 -7.845 303 HA2 GLY 34 HA2 GLY 34 9.196 8.299 -9.117 304 HA3 GLY 34 HA1 GLY 34 10.128 7.447 -7.893 305 H TRP 35 HN TRP 35 8.173 5.183 -8.012 306 HA TRP 35 HA TRP 35 9.423 3.788 -10.245 307 HB2 TRP 35 HB2 TRP 35 7.729 2.830 -7.940 308 HB3 TRP 35 HB1 TRP 35 8.333 1.775 -9.207 309 HD1 TRP 35 HD1 TRP 35 9.533 3.822 -6.195 310 HE1 TRP 35 HE1 TRP 35 11.859 2.965 -5.502 311 HE3 TRP 35 HE3 TRP 35 10.406 0.616 -10.082 312 HZ2 TRP 35 HZ2 TRP 35 13.806 1.165 -6.474 313 HZ3 TRP 35 HZ3 TRP 35 12.524 -0.634 -10.126 314 HH2 TRP 35 HH2 TRP 35 14.189 -0.364 -8.360 315 HA PRO 36 HA PRO 36 5.765 3.856 -12.687 316 HB2 PRO 36 HB2 PRO 36 6.368 1.745 -14.336 317 HB3 PRO 36 HB1 PRO 36 7.036 3.359 -14.507 318 HG2 PRO 36 HG2 PRO 36 8.331 0.941 -13.615 319 HG3 PRO 36 HG1 PRO 36 9.042 2.461 -14.144 320 HD2 PRO 36 HD2 PRO 36 8.709 1.493 -11.477 321 HD3 PRO 36 HD1 PRO 36 9.436 2.988 -12.021 322 HA PRO 37 HA PRO 37 2.722 1.102 -11.081 323 HB2 PRO 37 HB2 PRO 37 1.829 0.649 -13.885 324 HB3 PRO 37 HB1 PRO 37 0.898 1.169 -12.477 325 HG2 PRO 37 HG2 PRO 37 1.581 2.911 -14.368 326 HG3 PRO 37 HG1 PRO 37 1.608 3.370 -12.655 327 HD2 PRO 37 HD2 PRO 37 3.877 2.710 -14.479 328 HD3 PRO 37 HD1 PRO 37 3.788 3.913 -13.178 329 H LYS 38 HN LYS 38 4.864 0.057 -13.586 330 HA LYS 38 HA LYS 38 4.076 -2.660 -13.721 331 HB2 LYS 38 HB2 LYS 38 6.776 -1.460 -14.319 332 HB3 LYS 38 HB1 LYS 38 6.191 -3.025 -14.863 333 HG2 LYS 38 HG2 LYS 38 4.606 -2.040 -16.309 334 HG3 LYS 38 HG1 LYS 38 4.837 -0.446 -15.591 335 HD2 LYS 38 HD2 LYS 38 6.928 -1.980 -17.127 336 HD3 LYS 38 HD1 LYS 38 5.945 -0.670 -17.783 337 HE2 LYS 38 HE2 LYS 38 6.867 0.794 -15.964 338 HE3 LYS 38 HE1 LYS 38 7.979 -0.514 -15.567 339 HZ1 LYS 38 HZ1 LYS 38 8.834 -0.395 -17.844 340 HZ2 LYS 38 HZ2 LYS 38 9.051 1.060 -17.010 341 HZ3 LYS 38 HZ3 LYS 38 7.819 0.922 -18.161 342 H TYR 39 HN TYR 39 6.034 -0.890 -11.474 343 HA TYR 39 HA TYR 39 7.077 -3.384 -10.349 344 HB2 TYR 39 HB2 TYR 39 7.847 -0.512 -9.815 345 HB3 TYR 39 HB1 TYR 39 8.558 -1.905 -9.017 346 HD1 TYR 39 HD1 TYR 39 8.168 -0.171 -12.184 347 HD2 TYR 39 HD2 TYR 39 10.246 -3.232 -10.120 348 HE1 TYR 39 HE1 TYR 39 9.758 -0.296 -14.030 349 HE2 TYR 39 HE2 TYR 39 11.868 -3.388 -11.969 350 HH TYR 39 HH TYR 39 12.088 -1.051 -14.414 351 H SER 40 HN SER 40 4.364 -1.660 -9.972 352 HA SER 40 HA SER 40 4.072 -1.077 -7.290 353 HB2 SER 40 HB2 SER 40 2.012 -2.377 -9.083 354 HB3 SER 40 HB1 SER 40 1.678 -1.614 -7.534 355 HG SER 40 HG SER 40 1.383 0.070 -8.790 356 H THR 41 HN THR 41 3.241 -2.314 -5.484 357 HA THR 41 HA THR 41 3.524 -5.211 -5.822 358 HB THR 41 HB THR 41 4.834 -5.435 -3.782 359 HG1 THR 41 HG1 THR 41 5.434 -3.686 -2.594 360 HG21 THR 41 HG21 THR 41 5.987 -5.118 -5.970 361 HG22 THR 41 HG22 THR 41 6.938 -4.599 -4.587 362 HG23 THR 41 HG23 THR 41 6.130 -3.403 -5.599 363 H TRP 42 HN TRP 42 2.482 -6.507 -4.311 364 HA TRP 42 HA TRP 42 0.182 -5.238 -3.053 365 HB2 TRP 42 HB2 TRP 42 0.908 -8.088 -3.694 366 HB3 TRP 42 HB1 TRP 42 -0.446 -7.699 -2.639 367 HD1 TRP 42 HD1 TRP 42 0.526 -7.911 -6.262 368 HE1 TRP 42 HE1 TRP 42 -1.507 -7.316 -7.726 369 HE3 TRP 42 HE3 TRP 42 -2.570 -6.055 -2.639 370 HZ2 TRP 42 HZ2 TRP 42 -4.084 -6.209 -7.383 371 HZ3 TRP 42 HZ3 TRP 42 -4.805 -5.256 -3.294 372 HH2 TRP 42 HH2 TRP 42 -5.537 -5.330 -5.624 373 H GLU 43 HN GLU 43 0.732 -4.393 -1.121 374 HA GLU 43 HA GLU 43 2.269 -6.077 0.725 375 HB2 GLU 43 HB2 GLU 43 1.841 -3.093 0.647 376 HB3 GLU 43 HB1 GLU 43 2.606 -3.921 1.996 377 HG2 GLU 43 HG2 GLU 43 3.593 -3.841 -0.845 378 HG3 GLU 43 HG1 GLU 43 4.270 -2.969 0.529 379 HA PRO 44 HA PRO 44 -1.670 -6.946 2.699 380 HB2 PRO 44 HB2 PRO 44 -0.377 -7.670 5.099 381 HB3 PRO 44 HB1 PRO 44 -0.921 -8.758 3.822 382 HG2 PRO 44 HG2 PRO 44 1.781 -7.646 4.338 383 HG3 PRO 44 HG1 PRO 44 1.323 -9.217 3.657 384 HD2 PRO 44 HD2 PRO 44 2.292 -7.262 2.112 385 HD3 PRO 44 HD1 PRO 44 0.995 -8.331 1.532 386 H GLU 45 HN GLU 45 -2.950 -5.940 4.142 387 HA GLU 45 HA GLU 45 -2.535 -3.290 4.769 388 HB2 GLU 45 HB2 GLU 45 -4.723 -4.322 4.690 389 HB3 GLU 45 HB1 GLU 45 -4.347 -5.327 6.076 390 HG2 GLU 45 HG2 GLU 45 -4.309 -2.348 6.288 391 HG3 GLU 45 HG1 GLU 45 -5.822 -3.233 6.363 392 H GLU 46 HN GLU 46 -1.262 -6.047 6.308 393 HA GLU 46 HA GLU 46 -0.821 -4.794 8.872 394 HB2 GLU 46 HB2 GLU 46 0.117 -7.415 7.704 395 HB3 GLU 46 HB1 GLU 46 0.471 -6.888 9.344 396 HG2 GLU 46 HG2 GLU 46 -1.825 -6.941 9.943 397 HG3 GLU 46 HG1 GLU 46 -2.316 -7.186 8.269 398 H HIS 47 HN HIS 47 1.028 -5.522 5.963 399 HA HIS 47 HA HIS 47 3.545 -4.708 7.074 400 HB2 HIS 47 HB2 HIS 47 2.605 -5.482 4.339 401 HB3 HIS 47 HB1 HIS 47 4.181 -4.732 4.552 402 HD1 HIS 47 HD1 HIS 47 2.269 -7.665 6.067 403 HD2 HIS 47 HD2 HIS 47 6.106 -6.513 5.014 404 HE1 HIS 47 HE1 HIS 47 3.718 -9.665 6.544 405 HE2 HIS 47 HE2 HIS 47 6.062 -8.903 6.008 406 H ILE 48 HN ILE 48 1.019 -3.121 5.174 407 HA ILE 48 HA ILE 48 2.390 -0.837 4.356 408 HB ILE 48 HB ILE 48 -0.453 -0.880 5.410 409 HG12 ILE 48 HG12 ILE 48 0.036 -2.611 3.640 410 HG13 ILE 48 HG11 ILE 48 -1.207 -1.441 3.215 411 HG21 ILE 48 HG21 ILE 48 -0.754 1.000 3.803 412 HG22 ILE 48 HG22 ILE 48 0.992 1.000 3.558 413 HG23 ILE 48 HG23 ILE 48 0.325 1.359 5.151 414 HD11 ILE 48 HD11 ILE 48 0.054 -0.499 1.574 415 HD12 ILE 48 HD12 ILE 48 0.689 -2.142 1.532 416 HD13 ILE 48 HD13 ILE 48 1.580 -0.875 2.374 417 H LEU 49 HN LEU 49 3.784 0.069 5.671 418 HA LEU 49 HA LEU 49 3.593 0.240 8.473 419 HB2 LEU 49 HB2 LEU 49 5.286 1.943 6.684 420 HB3 LEU 49 HB1 LEU 49 5.598 1.536 8.352 421 HG LEU 49 HG LEU 49 5.497 -0.559 6.209 422 HD11 LEU 49 HD11 LEU 49 7.093 1.012 5.449 423 HD12 LEU 49 HD12 LEU 49 7.959 -0.362 6.132 424 HD13 LEU 49 HD13 LEU 49 7.825 1.141 7.046 425 HD21 LEU 49 HD21 LEU 49 5.376 -1.397 8.406 426 HD22 LEU 49 HD22 LEU 49 6.698 -0.374 8.956 427 HD23 LEU 49 HD23 LEU 49 7.008 -1.695 7.827 428 H ASP 50 HN ASP 50 1.706 1.876 6.359 429 HA ASP 50 HA ASP 50 1.344 4.034 8.290 430 HB2 ASP 50 HB2 ASP 50 2.735 4.462 5.945 431 HB3 ASP 50 HB1 ASP 50 1.108 5.012 5.551 432 HA PRO 51 HA PRO 51 -2.857 2.572 7.389 433 HB2 PRO 51 HB2 PRO 51 -3.494 4.453 9.554 434 HB3 PRO 51 HB1 PRO 51 -3.849 2.731 9.436 435 HG2 PRO 51 HG2 PRO 51 -2.005 3.646 11.140 436 HG3 PRO 51 HG1 PRO 51 -1.770 2.120 10.268 437 HD2 PRO 51 HD2 PRO 51 -0.611 4.818 9.693 438 HD3 PRO 51 HD1 PRO 51 0.165 3.224 9.664 439 H ARG 52 HN ARG 52 -1.455 5.724 7.451 440 HA ARG 52 HA ARG 52 -3.705 7.227 6.649 441 HB2 ARG 52 HB2 ARG 52 -0.740 7.637 6.474 442 HB3 ARG 52 HB1 ARG 52 -1.816 8.725 5.612 443 HG2 ARG 52 HG2 ARG 52 -1.312 9.723 7.705 444 HG3 ARG 52 HG1 ARG 52 -2.981 9.162 7.776 445 HD2 ARG 52 HD2 ARG 52 -1.987 8.564 9.835 446 HD3 ARG 52 HD1 ARG 52 -2.125 7.086 8.887 447 HE ARG 52 HE ARG 52 0.399 8.146 8.408 448 HH11 ARG 52 HH11 ARG 52 -1.409 6.823 11.079 449 HH12 ARG 52 HH12 ARG 52 -0.006 6.226 11.900 450 HH21 ARG 52 HH21 ARG 52 2.251 7.364 9.483 451 HH22 ARG 52 HH22 ARG 52 2.075 6.535 10.994 452 H LEU 53 HN LEU 53 -1.349 5.276 4.979 453 HA LEU 53 HA LEU 53 -2.012 5.962 2.313 454 HB2 LEU 53 HB2 LEU 53 -0.737 3.587 3.641 455 HB3 LEU 53 HB1 LEU 53 -1.144 3.522 1.940 456 HG LEU 53 HG LEU 53 0.572 5.732 3.040 457 HD11 LEU 53 HD11 LEU 53 1.456 3.018 2.071 458 HD12 LEU 53 HD12 LEU 53 1.655 3.671 3.697 459 HD13 LEU 53 HD13 LEU 53 2.522 4.396 2.343 460 HD21 LEU 53 HD21 LEU 53 0.203 4.484 0.324 461 HD22 LEU 53 HD22 LEU 53 1.382 5.741 0.707 462 HD23 LEU 53 HD23 LEU 53 -0.344 6.083 0.837 463 H VAL 54 HN VAL 54 -3.111 3.490 4.560 464 HA VAL 54 HA VAL 54 -4.942 2.153 2.900 465 HB VAL 54 HB VAL 54 -4.759 2.453 5.897 466 HG11 VAL 54 HG11 VAL 54 -6.938 1.412 4.305 467 HG12 VAL 54 HG12 VAL 54 -6.871 1.754 6.030 468 HG13 VAL 54 HG13 VAL 54 -6.288 0.208 5.412 469 HG21 VAL 54 HG21 VAL 54 -3.995 0.338 3.919 470 HG22 VAL 54 HG22 VAL 54 -4.140 -0.001 5.644 471 HG23 VAL 54 HG23 VAL 54 -2.963 1.183 5.072 472 H MET 55 HN MET 55 -5.527 4.587 5.418 473 HA MET 55 HA MET 55 -8.239 4.935 5.035 474 HB2 MET 55 HB2 MET 55 -6.737 5.936 6.839 475 HB3 MET 55 HB1 MET 55 -6.370 7.194 5.684 476 HG2 MET 55 HG2 MET 55 -8.113 8.278 6.515 477 HG3 MET 55 HG1 MET 55 -9.104 7.112 5.650 478 HE1 MET 55 HE1 MET 55 -8.296 4.550 7.111 479 HE2 MET 55 HE2 MET 55 -10.050 4.718 7.016 480 HE3 MET 55 HE3 MET 55 -9.283 4.346 8.560 481 H ALA 56 HN ALA 56 -5.554 6.742 3.597 482 HA ALA 56 HA ALA 56 -6.956 8.465 1.957 483 HB1 ALA 56 HB1 ALA 56 -4.468 8.420 2.339 484 HB2 ALA 56 HB2 ALA 56 -4.971 8.719 0.675 485 HB3 ALA 56 HB3 ALA 56 -4.383 7.124 1.147 486 H TYR 57 HN TYR 57 -6.121 5.088 1.458 487 HA TYR 57 HA TYR 57 -6.935 4.878 -1.229 488 HB2 TYR 57 HB2 TYR 57 -5.567 3.171 -0.109 489 HB3 TYR 57 HB1 TYR 57 -6.919 2.761 0.936 490 HD1 TYR 57 HD1 TYR 57 -5.826 2.810 -2.594 491 HD2 TYR 57 HD2 TYR 57 -8.508 1.192 0.264 492 HE1 TYR 57 HE1 TYR 57 -6.646 1.205 -4.283 493 HE2 TYR 57 HE2 TYR 57 -9.340 -0.414 -1.397 494 HH TYR 57 HH TYR 57 -7.774 -1.036 -4.296 495 H GLU 58 HN GLU 58 -8.623 4.173 1.809 496 HA GLU 58 HA GLU 58 -11.115 3.540 0.648 497 HB2 GLU 58 HB2 GLU 58 -10.703 4.665 3.377 498 HB3 GLU 58 HB1 GLU 58 -12.010 3.632 2.844 499 HG2 GLU 58 HG2 GLU 58 -9.148 2.734 2.873 500 HG3 GLU 58 HG1 GLU 58 -10.212 2.568 4.271 501 H GLU 59 HN GLU 59 -9.453 6.425 0.963 502 HA GLU 59 HA GLU 59 -11.745 8.166 1.176 503 HB2 GLU 59 HB2 GLU 59 -10.175 9.571 1.913 504 HB3 GLU 59 HB1 GLU 59 -8.917 8.417 1.491 505 HG2 GLU 59 HG2 GLU 59 -8.810 9.329 -0.753 506 HG3 GLU 59 HG1 GLU 59 -10.105 10.463 -0.366 507 H LYS 60 HN LYS 60 -9.625 6.904 -1.306 508 HA LYS 60 HA LYS 60 -10.532 8.567 -3.419 509 HB2 LYS 60 HB2 LYS 60 -9.538 5.785 -3.879 510 HB3 LYS 60 HB1 LYS 60 -9.295 7.219 -4.842 511 HG2 LYS 60 HG2 LYS 60 -7.995 6.604 -2.236 512 HG3 LYS 60 HG1 LYS 60 -7.241 6.592 -3.826 513 HD2 LYS 60 HD2 LYS 60 -8.596 9.082 -3.284 514 HD3 LYS 60 HD1 LYS 60 -7.379 8.713 -2.078 515 HE2 LYS 60 HE2 LYS 60 -5.686 8.466 -3.781 516 HE3 LYS 60 HE1 LYS 60 -6.895 8.683 -5.047 517 HZ1 LYS 60 HZ1 LYS 60 -7.258 10.939 -4.262 518 HZ2 LYS 60 HZ2 LYS 60 -5.633 10.706 -4.670 519 HZ3 LYS 60 HZ3 LYS 60 -6.103 10.730 -3.045 520 H GLU 61 HN GLU 61 -11.405 5.408 -2.211 521 HA GLU 61 HA GLU 61 -13.330 4.813 -4.213 522 HB2 GLU 61 HB2 GLU 61 -13.033 3.717 -1.414 523 HB3 GLU 61 HB1 GLU 61 -14.076 3.036 -2.654 524 HG2 GLU 61 HG2 GLU 61 -12.145 2.545 -4.040 525 HG3 GLU 61 HG1 GLU 61 -11.081 3.277 -2.838 526 H GLU 62 HN GLU 62 -13.637 6.098 -0.923 527 HA GLU 62 HA GLU 62 -16.454 6.237 -0.927 528 HB2 GLU 62 HB2 GLU 62 -16.273 7.600 1.019 529 HB3 GLU 62 HB1 GLU 62 -14.981 6.412 1.099 530 HG2 GLU 62 HG2 GLU 62 -13.378 8.059 0.359 531 HG3 GLU 62 HG1 GLU 62 -14.662 9.250 0.172 532 H ARG 63 HN ARG 63 -13.973 8.389 -2.096 533 HA ARG 63 HA ARG 63 -15.541 10.689 -2.485 534 HB2 ARG 63 HB2 ARG 63 -12.938 9.686 -3.474 535 HB3 ARG 63 HB1 ARG 63 -13.704 10.970 -4.396 536 HG2 ARG 63 HG2 ARG 63 -13.155 11.099 -1.440 537 HG3 ARG 63 HG1 ARG 63 -12.103 11.768 -2.683 538 HD2 ARG 63 HD2 ARG 63 -14.973 12.553 -2.196 539 HD3 ARG 63 HD1 ARG 63 -13.556 13.480 -1.704 540 HE ARG 63 HE ARG 63 -13.482 12.984 -4.485 541 HH11 ARG 63 HH11 ARG 63 -15.131 14.912 -2.097 542 HH12 ARG 63 HH12 ARG 63 -15.485 16.203 -3.197 543 HH21 ARG 63 HH21 ARG 63 -13.944 14.678 -5.940 544 HH22 ARG 63 HH22 ARG 63 -14.813 16.069 -5.382 545 H ASP 64 HN ASP 64 -14.600 8.125 -4.763 546 HA ASP 64 HA ASP 64 -16.264 9.181 -6.854 547 HB2 ASP 64 HB2 ASP 64 -14.140 7.938 -7.269 548 HB3 ASP 64 HB1 ASP 64 -14.935 6.484 -6.696 549 H ARG 65 HN ARG 65 -16.254 6.029 -5.233 550 HA ARG 65 HA ARG 65 -18.699 5.119 -6.080 551 HB2 ARG 65 HB2 ARG 65 -17.510 4.603 -3.359 552 HB3 ARG 65 HB1 ARG 65 -18.658 3.582 -4.215 553 HG2 ARG 65 HG2 ARG 65 -17.009 3.095 -5.918 554 HG3 ARG 65 HG1 ARG 65 -15.866 4.195 -5.149 555 HD2 ARG 65 HD2 ARG 65 -15.256 2.012 -4.485 556 HD3 ARG 65 HD1 ARG 65 -16.025 2.788 -3.106 557 HE ARG 65 HE ARG 65 -18.039 1.431 -4.375 558 HH11 ARG 65 HH11 ARG 65 -14.962 0.594 -2.967 559 HH12 ARG 65 HH12 ARG 65 -15.449 -1.012 -2.540 560 HH21 ARG 65 HH21 ARG 65 -18.687 -0.684 -3.821 561 HH22 ARG 65 HH22 ARG 65 -17.565 -1.739 -3.027 562 H ALA 66 HN ALA 66 -18.089 6.683 -2.920 563 HA ALA 66 HA ALA 66 -19.485 7.720 -1.451 564 HB1 ALA 66 HB1 ALA 66 -19.365 9.191 -3.566 565 HB2 ALA 66 HB2 ALA 66 -20.535 9.576 -2.304 566 HB3 ALA 66 HB3 ALA 66 -21.056 8.739 -3.769 567 H SER 67 HN SER 67 -20.360 5.062 -2.753 568 HA SER 67 HA SER 67 -22.757 4.763 -1.253 569 HB2 SER 67 HB2 SER 67 -23.748 5.919 -3.169 570 HB3 SER 67 HB1 SER 67 -23.024 4.748 -4.270 571 HG SER 67 HG SER 67 -25.307 4.422 -3.591 572 H GLY 68 HN GLY 68 -21.187 3.411 -4.162 573 HA2 GLY 68 HA2 GLY 68 -20.009 1.202 -3.117 574 HA3 GLY 68 HA1 GLY 68 -21.687 0.707 -3.283 575 H TYR 69 HN TYR 69 -21.838 2.578 -5.683 576 HA TYR 69 HA TYR 69 -20.990 0.586 -7.622 577 HB2 TYR 69 HB2 TYR 69 -23.254 1.596 -7.748 578 HB3 TYR 69 HB1 TYR 69 -22.516 3.167 -8.037 579 HD1 TYR 69 HD1 TYR 69 -22.445 -0.301 -9.442 580 HD2 TYR 69 HD2 TYR 69 -22.335 3.880 -10.223 581 HE1 TYR 69 HE1 TYR 69 -22.443 -0.759 -11.853 582 HE2 TYR 69 HE2 TYR 69 -22.331 3.432 -12.641 583 HH TYR 69 HH TYR 69 -23.040 0.380 -13.947 584 H ARG 70 HN ARG 70 -19.596 0.994 -9.356 585 HA ARG 70 HA ARG 70 -17.428 2.750 -8.784 586 HB2 ARG 70 HB2 ARG 70 -17.574 0.478 -10.168 587 HB3 ARG 70 HB1 ARG 70 -17.769 1.594 -11.508 588 HG2 ARG 70 HG2 ARG 70 -15.673 2.668 -10.950 589 HG3 ARG 70 HG1 ARG 70 -15.467 1.587 -9.570 590 HD2 ARG 70 HD2 ARG 70 -15.550 -0.324 -11.201 591 HD3 ARG 70 HD1 ARG 70 -15.492 0.875 -12.493 592 HE ARG 70 HE ARG 70 -13.365 0.844 -10.479 593 HH11 ARG 70 HH11 ARG 70 -14.408 0.360 -13.769 594 HH12 ARG 70 HH12 ARG 70 -12.799 0.294 -14.405 595 HH21 ARG 70 HH21 ARG 70 -11.244 0.756 -11.307 596 HH22 ARG 70 HH22 ARG 70 -11.000 0.518 -13.005 597 H LYS 71 HN LYS 71 -17.023 3.401 -11.689 598 HA LYS 71 HA LYS 71 -18.473 5.928 -11.635 599 HB2 LYS 71 HB2 LYS 71 -16.011 5.857 -12.050 600 HB3 LYS 71 HB1 LYS 71 -16.328 5.007 -13.556 601 HG2 LYS 71 HG2 LYS 71 -17.587 6.929 -14.381 602 HG3 LYS 71 HG1 LYS 71 -17.278 7.782 -12.867 603 HD2 LYS 71 HD2 LYS 71 -14.850 7.623 -13.319 604 HD3 LYS 71 HD1 LYS 71 -15.214 6.864 -14.870 605 HE2 LYS 71 HE2 LYS 71 -16.444 8.867 -15.555 606 HE3 LYS 71 HE1 LYS 71 -16.072 9.625 -14.008 607 HZ1 LYS 71 HZ1 LYS 71 -14.083 8.786 -16.048 608 HZ2 LYS 71 HZ2 LYS 71 -13.719 9.499 -14.559 609 HZ3 LYS 71 HZ3 LYS 71 -14.566 10.377 -15.729 610 H1 ALA 15 HT1 ALA 15 2.513 18.431 -9.977 611 H2 ALA 15 HT2 ALA 15 2.145 17.624 -8.536 612 H3 ALA 15 HT3 ALA 15 3.482 18.659 -8.608 613 HA ALA 15 HA ALA 15 2.061 20.557 -8.938 614 HB1 ALA 15 HB1 ALA 15 -0.345 20.354 -8.848 615 HB2 ALA 15 HB2 ALA 15 -0.219 18.610 -8.624 616 HB3 ALA 15 HB3 ALA 15 0.288 19.342 -10.146 617 HA PRO 16 HA PRO 16 2.832 19.669 -4.434 618 HB2 PRO 16 HB2 PRO 16 3.646 22.519 -4.665 619 HB3 PRO 16 HB1 PRO 16 4.466 21.175 -3.861 620 HG2 PRO 16 HG2 PRO 16 5.364 22.130 -6.181 621 HG3 PRO 16 HG1 PRO 16 5.396 20.391 -5.835 622 HD2 PRO 16 HD2 PRO 16 3.522 21.948 -7.566 623 HD3 PRO 16 HD1 PRO 16 4.202 20.325 -7.811 624 H ARG 17 HN ARG 17 1.509 20.178 -2.748 625 HA ARG 17 HA ARG 17 -0.064 22.565 -2.665 626 HB2 ARG 17 HB2 ARG 17 -1.372 21.301 -4.308 627 HB3 ARG 17 HB1 ARG 17 -1.479 19.945 -3.197 628 HG2 ARG 17 HG2 ARG 17 -3.536 21.003 -2.994 629 HG3 ARG 17 HG1 ARG 17 -2.625 21.585 -1.601 630 HD2 ARG 17 HD2 ARG 17 -2.890 23.072 -4.210 631 HD3 ARG 17 HD1 ARG 17 -3.903 23.356 -2.797 632 HE ARG 17 HE ARG 17 -1.264 23.593 -1.971 633 HH11 ARG 17 HH11 ARG 17 -3.450 25.197 -4.162 634 HH12 ARG 17 HH12 ARG 17 -2.684 26.742 -3.997 635 HH21 ARG 17 HH21 ARG 17 -0.251 25.625 -1.751 636 HH22 ARG 17 HH22 ARG 17 -0.867 26.985 -2.630 637 H LYS 18 HN LYS 18 -0.204 19.183 -1.528 638 HA LYS 18 HA LYS 18 -0.384 20.222 1.224 639 HB2 LYS 18 HB2 LYS 18 -1.523 18.104 1.794 640 HB3 LYS 18 HB1 LYS 18 -2.401 19.037 0.589 641 HG2 LYS 18 HG2 LYS 18 -1.331 17.578 -1.160 642 HG3 LYS 18 HG1 LYS 18 -0.751 16.561 0.160 643 HD2 LYS 18 HD2 LYS 18 -3.647 17.235 -0.364 644 HD3 LYS 18 HD1 LYS 18 -2.855 15.733 -0.844 645 HE2 LYS 18 HE2 LYS 18 -2.350 15.280 1.529 646 HE3 LYS 18 HE1 LYS 18 -3.219 16.747 1.975 647 HZ1 LYS 18 HZ1 LYS 18 -5.229 15.801 1.021 648 HZ2 LYS 18 HZ2 LYS 18 -4.606 14.788 2.224 649 HZ3 LYS 18 HZ3 LYS 18 -4.393 14.394 0.593 650 H GLN 19 HN GLN 19 1.002 19.489 2.756 651 HA GLN 19 HA GLN 19 3.218 17.815 1.814 652 HB2 GLN 19 HB2 GLN 19 3.732 20.063 2.752 653 HB3 GLN 19 HB1 GLN 19 3.052 19.545 4.289 654 HG2 GLN 19 HG2 GLN 19 5.467 19.428 4.333 655 HG3 GLN 19 HG1 GLN 19 4.765 17.817 4.471 656 HE21 GLN 19 HE21 GLN 19 6.538 20.013 2.438 657 HE22 GLN 19 HE22 GLN 19 7.079 18.838 1.295 658 H LEU 20 HN LEU 20 2.555 15.735 2.103 659 HA LEU 20 HA LEU 20 1.373 14.941 4.649 660 HB2 LEU 20 HB2 LEU 20 1.871 13.401 2.101 661 HB3 LEU 20 HB1 LEU 20 1.125 12.723 3.536 662 HG LEU 20 HG LEU 20 -0.023 15.071 2.033 663 HD11 LEU 20 HD11 LEU 20 -0.695 12.142 1.794 664 HD12 LEU 20 HD12 LEU 20 0.036 13.156 0.549 665 HD13 LEU 20 HD13 LEU 20 -1.618 13.464 1.081 666 HD21 LEU 20 HD21 LEU 20 -2.064 14.479 3.259 667 HD22 LEU 20 HD22 LEU 20 -0.741 14.892 4.349 668 HD23 LEU 20 HD23 LEU 20 -1.184 13.203 4.099 669 H ALA 21 HN ALA 21 4.414 15.385 3.526 670 HA ALA 21 HA ALA 21 6.484 14.697 4.166 671 HB1 ALA 21 HB1 ALA 21 4.958 13.576 6.513 672 HB2 ALA 21 HB2 ALA 21 5.706 15.169 6.402 673 HB3 ALA 21 HB3 ALA 21 6.713 13.721 6.423 674 H THR 22 HN THR 22 4.415 12.795 2.801 675 HA THR 22 HA THR 22 4.481 10.768 1.786 676 HB THR 22 HB THR 22 7.340 10.594 2.756 677 HG1 THR 22 HG1 THR 22 6.282 11.642 0.321 678 HG21 THR 22 HG21 THR 22 6.457 8.462 1.963 679 HG22 THR 22 HG22 THR 22 7.628 9.108 0.814 680 HG23 THR 22 HG23 THR 22 5.902 9.228 0.476 681 H LYS 23 HN LYS 23 3.275 9.226 2.633 682 HA LYS 23 HA LYS 23 3.430 8.381 5.336 683 HB2 LYS 23 HB2 LYS 23 2.055 6.985 3.024 684 HB3 LYS 23 HB1 LYS 23 1.722 6.761 4.733 685 HG2 LYS 23 HG2 LYS 23 0.509 8.658 4.899 686 HG3 LYS 23 HG1 LYS 23 1.483 9.516 3.700 687 HD2 LYS 23 HD2 LYS 23 0.421 8.003 1.963 688 HD3 LYS 23 HD1 LYS 23 -0.709 7.507 3.226 689 HE2 LYS 23 HE2 LYS 23 -0.267 10.341 2.289 690 HE3 LYS 23 HE1 LYS 23 -1.611 9.307 1.805 691 HZ1 LYS 23 HZ1 LYS 23 -2.227 10.827 3.589 692 HZ2 LYS 23 HZ2 LYS 23 -1.026 10.175 4.585 693 HZ3 LYS 23 HZ3 LYS 23 -2.334 9.217 4.101 694 H ALA 24 HN ALA 24 4.369 6.854 2.276 695 HA ALA 24 HA ALA 24 5.868 5.233 1.763 696 HB1 ALA 24 HB1 ALA 24 7.019 5.830 4.480 697 HB2 ALA 24 HB2 ALA 24 7.421 6.671 2.983 698 HB3 ALA 24 HB3 ALA 24 7.825 4.964 3.172 699 H ALA 25 HN ALA 25 6.562 3.053 2.203 700 HA ALA 25 HA ALA 25 5.413 1.611 4.423 701 HB1 ALA 25 HB1 ALA 25 4.507 0.851 1.652 702 HB2 ALA 25 HB2 ALA 25 3.539 1.823 2.759 703 HB3 ALA 25 HB3 ALA 25 3.976 0.170 3.189 704 H ARG 26 HN ARG 26 5.784 -0.906 3.886 705 HA ARG 26 HA ARG 26 8.585 -1.067 3.015 706 HB2 ARG 26 HB2 ARG 26 8.624 -3.212 4.276 707 HB3 ARG 26 HB1 ARG 26 8.250 -1.816 5.277 708 HG2 ARG 26 HG2 ARG 26 5.968 -2.402 5.412 709 HG3 ARG 26 HG1 ARG 26 6.125 -3.598 4.126 710 HD2 ARG 26 HD2 ARG 26 5.998 -4.686 6.293 711 HD3 ARG 26 HD1 ARG 26 7.581 -4.944 5.564 712 HE ARG 26 HE ARG 26 8.072 -2.831 7.096 713 HH11 ARG 26 HH11 ARG 26 6.331 -5.769 7.792 714 HH12 ARG 26 HH12 ARG 26 6.740 -5.764 9.475 715 HH21 ARG 26 HH21 ARG 26 8.609 -2.814 9.313 716 HH22 ARG 26 HH22 ARG 26 8.034 -4.085 10.340 717 H MLY 27 HN MLY 27 9.281 -3.087 1.966 718 HA MLY 27 HA MLY 27 7.200 -4.328 0.299 719 HB2 MLY 27 HB2 MLY 27 8.467 -2.541 -0.956 720 HB3 MLY 27 HB1 MLY 27 9.921 -3.500 -0.733 721 HG2 MLY 27 HG2 MLY 27 9.100 -5.246 -2.094 722 HG3 MLY 27 HG1 MLY 27 7.465 -4.587 -2.080 723 HD2 MLY 27 HD2 MLY 27 8.883 -4.271 -4.194 724 HD3 MLY 27 HD1 MLY 27 8.009 -2.879 -3.568 725 HE2 MLY 27 HE2 MLY 27 10.026 -2.006 -2.572 726 HE3 MLY 27 HE1 MLY 27 10.916 -3.465 -3.008 727 HH11 MLY 27 HH11 MLY 27 10.593 -0.259 -5.438 728 HH12 MLY 27 HH12 MLY 27 9.617 -0.365 -3.974 729 HH13 MLY 27 HH13 MLY 27 11.377 -0.429 -3.867 730 HH21 MLY 27 HH21 MLY 27 12.031 -2.299 -6.015 731 HH22 MLY 27 HH22 MLY 27 12.561 -2.349 -4.336 732 HH23 MLY 27 HH23 MLY 27 11.800 -3.766 -5.061 733 HZ MLY 27 HZ MLY 27 9.757 -2.459 -5.303 734 H SER 28 HN SER 28 8.947 -4.982 2.720 735 HA SER 28 HA SER 28 9.999 -6.771 3.629 736 HB2 SER 28 HB2 SER 28 9.360 -8.932 2.917 737 HB3 SER 28 HB1 SER 28 7.985 -7.901 2.522 738 HG SER 28 HG SER 28 8.632 -9.354 0.818 739 H ALA 29 HN ALA 29 11.708 -8.509 3.214 740 HA ALA 29 HA ALA 29 13.914 -7.285 1.970 741 HB1 ALA 29 HB1 ALA 29 14.175 -8.819 3.838 742 HB2 ALA 29 HB2 ALA 29 15.122 -9.356 2.451 743 HB3 ALA 29 HB3 ALA 29 13.600 -10.155 2.843 744 HA PRO 30 HA PRO 30 13.441 -10.530 -1.579 745 HB2 PRO 30 HB2 PRO 30 11.061 -11.796 -1.852 746 HB3 PRO 30 HB1 PRO 30 12.377 -12.442 -0.863 747 HG2 PRO 30 HG2 PRO 30 9.948 -10.908 -0.016 748 HG3 PRO 30 HG1 PRO 30 10.672 -12.350 0.720 749 HD2 PRO 30 HD2 PRO 30 11.071 -9.860 1.700 750 HD3 PRO 30 HD1 PRO 30 12.304 -11.133 1.801 Start of MODEL 12 1 H MET 1 HT1 MET 1 24.001 -11.173 -5.375 2 HA MET 1 HA MET 1 21.663 -10.650 -5.143 3 HB2 MET 1 HB2 MET 1 22.818 -12.191 -7.073 4 HB3 MET 1 HB1 MET 1 21.510 -13.246 -6.543 5 HG2 MET 1 HG2 MET 1 19.901 -11.449 -6.966 6 HG3 MET 1 HG1 MET 1 21.214 -10.416 -7.528 7 HE1 MET 1 HE1 MET 1 22.672 -10.928 -9.678 8 HE2 MET 1 HE2 MET 1 22.413 -12.310 -10.743 9 HE3 MET 1 HE3 MET 1 23.031 -12.557 -9.110 10 H GLU 2 HN GLU 2 19.669 -12.548 -5.619 11 HA GLU 2 HA GLU 2 18.030 -13.638 -4.496 12 HB2 GLU 2 HB2 GLU 2 19.969 -15.188 -2.870 13 HB3 GLU 2 HB1 GLU 2 18.594 -15.730 -3.812 14 HG2 GLU 2 HG2 GLU 2 20.141 -16.559 -5.170 15 HG3 GLU 2 HG1 GLU 2 20.202 -14.908 -5.777 16 H LEU 3 HN LEU 3 17.082 -12.091 -3.245 17 HA LEU 3 HA LEU 3 18.084 -10.921 -0.942 18 HB2 LEU 3 HB2 LEU 3 15.737 -10.410 -0.358 19 HB3 LEU 3 HB1 LEU 3 16.140 -10.011 -2.016 20 HG LEU 3 HG LEU 3 14.813 -12.628 -1.403 21 HD11 LEU 3 HD11 LEU 3 12.633 -11.549 -1.719 22 HD12 LEU 3 HD12 LEU 3 13.421 -9.972 -1.718 23 HD13 LEU 3 HD13 LEU 3 13.449 -10.973 -0.265 24 HD21 LEU 3 HD21 LEU 3 15.604 -12.362 -3.644 25 HD22 LEU 3 HD22 LEU 3 14.877 -10.761 -3.767 26 HD23 LEU 3 HD23 LEU 3 13.850 -12.191 -3.665 27 H SER 4 HN SER 4 18.673 -11.776 0.921 28 HA SER 4 HA SER 4 17.019 -13.813 2.182 29 HB2 SER 4 HB2 SER 4 18.935 -15.295 2.625 30 HB3 SER 4 HB1 SER 4 18.653 -15.121 0.893 31 HG SER 4 HG SER 4 20.677 -14.568 0.835 32 H ALA 5 HN ALA 5 17.150 -13.838 4.401 33 HA ALA 5 HA ALA 5 17.642 -13.171 6.519 34 HB1 ALA 5 HB1 ALA 5 20.097 -11.852 5.387 35 HB2 ALA 5 HB2 ALA 5 20.005 -13.545 5.871 36 HB3 ALA 5 HB3 ALA 5 19.794 -12.271 7.073 37 H ILE 6 HN ILE 6 17.668 -10.869 3.935 38 HA ILE 6 HA ILE 6 17.626 -8.444 5.242 39 HB ILE 6 HB ILE 6 15.955 -9.219 2.851 40 HG12 ILE 6 HG12 ILE 6 18.340 -9.697 2.527 41 HG13 ILE 6 HG11 ILE 6 17.819 -8.356 1.515 42 HG21 ILE 6 HG21 ILE 6 15.157 -7.147 3.748 43 HG22 ILE 6 HG22 ILE 6 16.104 -6.795 2.300 44 HG23 ILE 6 HG23 ILE 6 16.802 -6.524 3.896 45 HD11 ILE 6 HD11 ILE 6 18.815 -6.782 3.093 46 HD12 ILE 6 HD12 ILE 6 20.002 -7.935 2.483 47 HD13 ILE 6 HD13 ILE 6 19.335 -8.129 4.105 48 H GLY 7 HN GLY 7 14.699 -10.229 4.229 49 HA2 GLY 7 HA2 GLY 7 12.711 -10.530 5.394 50 HA3 GLY 7 HA1 GLY 7 13.395 -9.633 6.740 51 H GLU 8 HN GLU 8 13.708 -7.249 6.269 52 HA GLU 8 HA GLU 8 11.517 -6.195 4.620 53 HB2 GLU 8 HB2 GLU 8 12.266 -4.898 7.213 54 HB3 GLU 8 HB1 GLU 8 10.755 -4.792 6.313 55 HG2 GLU 8 HG2 GLU 8 10.141 -7.007 6.951 56 HG3 GLU 8 HG1 GLU 8 11.716 -7.282 7.681 57 H GLN 9 HN GLN 9 11.796 -3.665 4.494 58 HA GLN 9 HA GLN 9 14.476 -2.688 4.612 59 HB2 GLN 9 HB2 GLN 9 14.851 -2.385 2.226 60 HB3 GLN 9 HB1 GLN 9 14.631 -4.090 2.594 61 HG2 GLN 9 HG2 GLN 9 12.295 -3.917 1.848 62 HG3 GLN 9 HG1 GLN 9 12.589 -2.242 1.392 63 HE21 GLN 9 HE21 GLN 9 11.751 -4.409 -0.289 64 HE22 GLN 9 HE22 GLN 9 12.961 -4.601 -1.509 65 H VAL 10 HN VAL 10 11.258 -2.294 3.187 66 HA VAL 10 HA VAL 10 9.844 -0.512 3.079 67 HB VAL 10 HB VAL 10 11.723 0.898 4.968 68 HG11 VAL 10 HG11 VAL 10 8.819 1.280 4.284 69 HG12 VAL 10 HG12 VAL 10 10.147 2.409 4.018 70 HG13 VAL 10 HG13 VAL 10 9.612 2.046 5.659 71 HG21 VAL 10 HG21 VAL 10 9.398 -0.918 5.640 72 HG22 VAL 10 HG22 VAL 10 10.353 0.021 6.791 73 HG23 VAL 10 HG23 VAL 10 11.107 -1.288 5.881 74 H PHE 11 HN PHE 11 9.551 1.271 1.778 75 HA PHE 11 HA PHE 11 11.950 2.633 0.796 76 HB2 PHE 11 HB2 PHE 11 9.864 1.257 -0.860 77 HB3 PHE 11 HB1 PHE 11 10.770 2.617 -1.512 78 HD1 PHE 11 HD2 PHE 11 13.433 2.355 -0.962 79 HD2 PHE 11 HD1 PHE 11 10.620 -0.793 -1.463 80 HE1 PHE 11 HE2 PHE 11 15.261 0.832 -1.588 81 HE2 PHE 11 HE1 PHE 11 12.440 -2.326 -2.089 82 HZ PHE 11 HZ PHE 11 14.765 -1.513 -2.154 83 H ALA 12 HN ALA 12 8.971 3.127 -0.842 84 HA ALA 12 HA ALA 12 7.930 5.211 0.783 85 HB1 ALA 12 HB1 ALA 12 8.449 7.079 -0.784 86 HB2 ALA 12 HB2 ALA 12 9.581 6.010 -1.610 87 HB3 ALA 12 HB3 ALA 12 9.855 6.453 0.076 88 H VAL 13 HN VAL 13 5.845 4.814 0.408 89 HA VAL 13 HA VAL 13 4.956 3.962 -2.228 90 HB VAL 13 HB VAL 13 3.544 4.158 0.432 91 HG11 VAL 13 HG11 VAL 13 1.744 2.893 -0.996 92 HG12 VAL 13 HG12 VAL 13 2.423 3.870 -2.300 93 HG13 VAL 13 HG13 VAL 13 1.744 4.652 -0.870 94 HG21 VAL 13 HG21 VAL 13 3.118 1.689 -0.402 95 HG22 VAL 13 HG22 VAL 13 4.559 2.137 0.522 96 HG23 VAL 13 HG23 VAL 13 4.646 1.982 -1.235 97 H GLU 14 HN GLU 14 4.272 5.376 -3.695 98 HA GLU 14 HA GLU 14 3.788 8.094 -3.251 99 HB2 GLU 14 HB2 GLU 14 4.149 7.171 -5.506 100 HB3 GLU 14 HB1 GLU 14 2.644 6.267 -5.390 101 HG2 GLU 14 HG2 GLU 14 2.312 8.207 -6.761 102 HG3 GLU 14 HG1 GLU 14 1.413 8.395 -5.257 103 H SER 15 HN SER 15 1.739 5.275 -3.364 104 HA SER 15 HA SER 15 0.027 5.692 -1.344 105 HB2 SER 15 HB2 SER 15 -2.044 6.615 -2.510 106 HB3 SER 15 HB1 SER 15 -0.784 7.797 -2.163 107 HG SER 15 HG SER 15 -0.067 7.278 -4.411 108 H ILE 16 HN ILE 16 -1.496 4.073 -1.211 109 HA ILE 16 HA ILE 16 -1.130 1.781 -2.682 110 HB ILE 16 HB ILE 16 -3.566 2.697 -1.165 111 HG12 ILE 16 HG12 ILE 16 -2.342 0.453 -0.006 112 HG13 ILE 16 HG11 ILE 16 -1.042 1.525 -0.459 113 HG21 ILE 16 HG21 ILE 16 -4.376 0.436 -1.241 114 HG22 ILE 16 HG22 ILE 16 -3.015 -0.062 -2.242 115 HG23 ILE 16 HG23 ILE 16 -4.221 1.059 -2.879 116 HD11 ILE 16 HD11 ILE 16 -3.083 1.819 1.558 117 HD12 ILE 16 HD12 ILE 16 -2.672 3.282 0.684 118 HD13 ILE 16 HD13 ILE 16 -1.425 2.378 1.549 119 H ARG 17 HN ARG 17 -2.327 0.745 -4.302 120 HA ARG 17 HA ARG 17 -3.728 2.567 -6.137 121 HB2 ARG 17 HB2 ARG 17 -1.605 0.678 -6.524 122 HB3 ARG 17 HB1 ARG 17 -2.982 0.252 -7.520 123 HG2 ARG 17 HG2 ARG 17 -2.984 2.512 -8.448 124 HG3 ARG 17 HG1 ARG 17 -1.572 2.880 -7.468 125 HD2 ARG 17 HD2 ARG 17 -0.217 1.472 -8.613 126 HD3 ARG 17 HD1 ARG 17 -1.543 0.513 -9.226 127 HE ARG 17 HE ARG 17 -1.259 3.260 -10.183 128 HH11 ARG 17 HH11 ARG 17 -1.003 -0.162 -10.788 129 HH12 ARG 17 HH12 ARG 17 -0.938 0.016 -12.510 130 HH21 ARG 17 HH21 ARG 17 -1.175 3.505 -12.445 131 HH22 ARG 17 HH22 ARG 17 -1.035 2.102 -13.452 132 H LYS 18 HN LYS 18 -3.642 -0.736 -4.863 133 HA LYS 18 HA LYS 18 -6.526 -0.952 -5.377 134 HB2 LYS 18 HB2 LYS 18 -4.525 -3.124 -5.940 135 HB3 LYS 18 HB1 LYS 18 -6.259 -3.232 -6.152 136 HG2 LYS 18 HG2 LYS 18 -6.233 -1.710 -7.942 137 HG3 LYS 18 HG1 LYS 18 -4.574 -1.229 -7.603 138 HD2 LYS 18 HD2 LYS 18 -3.795 -3.442 -8.208 139 HD3 LYS 18 HD1 LYS 18 -5.450 -3.959 -8.506 140 HE2 LYS 18 HE2 LYS 18 -5.677 -2.493 -10.351 141 HE3 LYS 18 HE1 LYS 18 -4.178 -1.665 -9.947 142 HZ1 LYS 18 HZ1 LYS 18 -3.929 -3.199 -11.821 143 HZ2 LYS 18 HZ2 LYS 18 -4.368 -4.493 -10.826 144 HZ3 LYS 18 HZ3 LYS 18 -2.942 -3.637 -10.519 145 H LYS 19 HN LYS 19 -7.391 -3.021 -4.296 146 HA LYS 19 HA LYS 19 -5.984 -3.775 -1.867 147 HB2 LYS 19 HB2 LYS 19 -7.220 -1.935 -0.990 148 HB3 LYS 19 HB1 LYS 19 -8.677 -2.420 -1.842 149 HG2 LYS 19 HG2 LYS 19 -8.729 -4.474 -0.453 150 HG3 LYS 19 HG1 LYS 19 -7.358 -3.844 0.455 151 HD2 LYS 19 HD2 LYS 19 -8.715 -1.881 1.060 152 HD3 LYS 19 HD1 LYS 19 -10.088 -2.591 0.212 153 HE2 LYS 19 HE2 LYS 19 -9.743 -4.615 1.712 154 HE3 LYS 19 HE1 LYS 19 -8.695 -3.590 2.677 155 HZ1 LYS 19 HZ1 LYS 19 -11.556 -3.065 2.083 156 HZ2 LYS 19 HZ2 LYS 19 -10.545 -2.061 2.996 157 HZ3 LYS 19 HZ3 LYS 19 -10.933 -3.607 3.560 158 H ARG 20 HN ARG 20 -6.087 -5.920 -1.771 159 HA ARG 20 HA ARG 20 -8.590 -7.217 -2.579 160 HB2 ARG 20 HB2 ARG 20 -7.553 -8.797 -3.913 161 HB3 ARG 20 HB1 ARG 20 -6.608 -7.363 -4.264 162 HG2 ARG 20 HG2 ARG 20 -4.819 -8.097 -2.888 163 HG3 ARG 20 HG1 ARG 20 -5.785 -9.422 -2.236 164 HD2 ARG 20 HD2 ARG 20 -5.904 -10.408 -4.490 165 HD3 ARG 20 HD1 ARG 20 -4.878 -9.107 -5.091 166 HE ARG 20 HE ARG 20 -3.783 -10.651 -2.903 167 HH11 ARG 20 HH11 ARG 20 -4.005 -10.230 -6.356 168 HH12 ARG 20 HH12 ARG 20 -2.546 -11.105 -6.687 169 HH21 ARG 20 HH21 ARG 20 -1.860 -11.805 -3.331 170 HH22 ARG 20 HH22 ARG 20 -1.326 -11.998 -4.967 171 H VAL 21 HN VAL 21 -9.335 -8.711 -1.214 172 HA VAL 21 HA VAL 21 -7.653 -9.353 1.115 173 HB VAL 21 HB VAL 21 -10.663 -9.130 0.925 174 HG11 VAL 21 HG11 VAL 21 -9.089 -9.720 3.414 175 HG12 VAL 21 HG12 VAL 21 -9.778 -11.003 2.416 176 HG13 VAL 21 HG13 VAL 21 -10.835 -9.811 3.172 177 HG21 VAL 21 HG21 VAL 21 -8.884 -7.626 2.796 178 HG22 VAL 21 HG22 VAL 21 -10.486 -7.196 2.185 179 HG23 VAL 21 HG23 VAL 21 -9.077 -7.078 1.128 180 H ARG 22 HN ARG 22 -7.720 -11.485 1.959 181 HA ARG 22 HA ARG 22 -8.932 -13.536 0.236 182 HB2 ARG 22 HB2 ARG 22 -6.425 -13.178 -0.184 183 HB3 ARG 22 HB1 ARG 22 -6.184 -13.857 1.419 184 HG2 ARG 22 HG2 ARG 22 -7.362 -15.896 0.705 185 HG3 ARG 22 HG1 ARG 22 -7.500 -15.216 -0.912 186 HD2 ARG 22 HD2 ARG 22 -5.097 -15.138 -1.126 187 HD3 ARG 22 HD1 ARG 22 -4.920 -15.708 0.529 188 HE ARG 22 HE ARG 22 -6.407 -17.467 -1.211 189 HH11 ARG 22 HH11 ARG 22 -3.284 -16.633 0.091 190 HH12 ARG 22 HH12 ARG 22 -2.598 -18.192 -0.216 191 HH21 ARG 22 HH21 ARG 22 -5.512 -19.522 -1.616 192 HH22 ARG 22 HH22 ARG 22 -3.863 -19.835 -1.188 193 H LYS 23 HN LYS 23 -10.489 -14.228 1.637 194 HA LYS 23 HA LYS 23 -11.430 -15.236 3.451 195 HB2 LYS 23 HB2 LYS 23 -8.576 -16.008 4.048 196 HB3 LYS 23 HB1 LYS 23 -9.982 -16.676 4.858 197 HG2 LYS 23 HG2 LYS 23 -10.537 -17.997 3.110 198 HG3 LYS 23 HG1 LYS 23 -9.943 -16.847 1.916 199 HD2 LYS 23 HD2 LYS 23 -8.545 -18.818 1.903 200 HD3 LYS 23 HD1 LYS 23 -7.636 -17.440 2.526 201 HE2 LYS 23 HE2 LYS 23 -7.148 -19.321 3.910 202 HE3 LYS 23 HE1 LYS 23 -8.171 -18.212 4.823 203 HZ1 LYS 23 HZ1 LYS 23 -9.116 -20.655 3.425 204 HZ2 LYS 23 HZ2 LYS 23 -10.076 -19.601 4.335 205 HZ3 LYS 23 HZ3 LYS 23 -8.870 -20.514 5.093 206 H GLY 24 HN GLY 24 -9.594 -12.609 3.542 207 HA2 GLY 24 HA2 GLY 24 -10.479 -11.018 5.304 208 HA3 GLY 24 HA1 GLY 24 -9.832 -12.190 6.440 209 H LYS 25 HN LYS 25 -7.628 -12.598 4.316 210 HA LYS 25 HA LYS 25 -5.746 -10.824 5.500 211 HB2 LYS 25 HB2 LYS 25 -5.415 -12.505 3.020 212 HB3 LYS 25 HB1 LYS 25 -4.132 -11.833 4.007 213 HG2 LYS 25 HG2 LYS 25 -4.652 -13.289 5.814 214 HG3 LYS 25 HG1 LYS 25 -6.131 -13.831 5.020 215 HD2 LYS 25 HD2 LYS 25 -4.553 -15.545 4.658 216 HD3 LYS 25 HD1 LYS 25 -4.660 -14.647 3.140 217 HE2 LYS 25 HE2 LYS 25 -2.339 -15.122 3.664 218 HE3 LYS 25 HE1 LYS 25 -2.650 -13.389 3.755 219 HZ1 LYS 25 HZ1 LYS 25 -1.302 -14.148 5.611 220 HZ2 LYS 25 HZ2 LYS 25 -2.512 -15.235 6.077 221 HZ3 LYS 25 HZ3 LYS 25 -2.796 -13.569 6.156 222 H VAL 26 HN VAL 26 -5.991 -8.694 5.062 223 HA VAL 26 HA VAL 26 -6.847 -7.785 2.481 224 HB VAL 26 HB VAL 26 -5.725 -6.160 4.755 225 HG11 VAL 26 HG11 VAL 26 -7.451 -5.330 2.428 226 HG12 VAL 26 HG12 VAL 26 -5.714 -5.043 2.550 227 HG13 VAL 26 HG13 VAL 26 -6.816 -4.278 3.694 228 HG21 VAL 26 HG21 VAL 26 -8.617 -6.376 4.131 229 HG22 VAL 26 HG22 VAL 26 -7.835 -5.925 5.644 230 HG23 VAL 26 HG23 VAL 26 -7.850 -7.612 5.124 231 H GLU 27 HN GLU 27 -5.693 -6.765 0.936 232 HA GLU 27 HA GLU 27 -2.788 -6.534 1.255 233 HB2 GLU 27 HB2 GLU 27 -4.228 -7.839 -1.063 234 HB3 GLU 27 HB1 GLU 27 -2.520 -7.426 -1.065 235 HG2 GLU 27 HG2 GLU 27 -2.088 -8.970 0.722 236 HG3 GLU 27 HG1 GLU 27 -3.809 -9.296 0.905 237 H TYR 28 HN TYR 28 -1.848 -4.900 -0.091 238 HA TYR 28 HA TYR 28 -3.800 -3.155 -1.421 239 HB2 TYR 28 HB2 TYR 28 -1.763 -2.390 0.643 240 HB3 TYR 28 HB1 TYR 28 -2.435 -1.209 -0.464 241 HD1 TYR 28 HD1 TYR 28 -5.159 -1.399 -0.563 242 HD2 TYR 28 HD2 TYR 28 -2.706 -2.454 2.744 243 HE1 TYR 28 HE1 TYR 28 -7.061 -1.079 0.958 244 HE2 TYR 28 HE2 TYR 28 -4.599 -2.121 4.261 245 HH TYR 28 HH TYR 28 -6.739 -0.840 4.288 246 H LEU 29 HN LEU 29 -3.219 -3.070 -3.505 247 HA LEU 29 HA LEU 29 -0.579 -3.541 -4.445 248 HB2 LEU 29 HB2 LEU 29 -2.830 -3.759 -5.720 249 HB3 LEU 29 HB1 LEU 29 -2.716 -2.030 -5.949 250 HG LEU 29 HG LEU 29 -1.900 -3.692 -7.806 251 HD11 LEU 29 HD11 LEU 29 -1.815 -1.214 -7.796 252 HD12 LEU 29 HD12 LEU 29 -0.504 -1.987 -8.681 253 HD13 LEU 29 HD13 LEU 29 -0.213 -1.322 -7.072 254 HD21 LEU 29 HD21 LEU 29 0.587 -3.382 -6.171 255 HD22 LEU 29 HD22 LEU 29 0.441 -4.193 -7.727 256 HD23 LEU 29 HD23 LEU 29 -0.332 -4.878 -6.295 257 H VAL 30 HN VAL 30 0.652 -2.063 -3.128 258 HA VAL 30 HA VAL 30 0.137 0.729 -3.131 259 HB VAL 30 HB VAL 30 2.330 0.965 -2.057 260 HG11 VAL 30 HG11 VAL 30 1.833 -0.310 -0.048 261 HG12 VAL 30 HG12 VAL 30 0.712 -1.327 -0.954 262 HG13 VAL 30 HG13 VAL 30 0.359 0.386 -0.723 263 HG21 VAL 30 HG21 VAL 30 3.675 -1.018 -1.551 264 HG22 VAL 30 HG22 VAL 30 3.558 -0.740 -3.289 265 HG23 VAL 30 HG23 VAL 30 2.587 -2.002 -2.530 266 H LYS 31 HN LYS 31 0.756 2.314 -4.433 267 HA LYS 31 HA LYS 31 2.418 1.684 -6.744 268 HB2 LYS 31 HB2 LYS 31 0.402 2.914 -7.236 269 HB3 LYS 31 HB1 LYS 31 0.762 4.103 -5.992 270 HG2 LYS 31 HG2 LYS 31 2.849 4.648 -7.361 271 HG3 LYS 31 HG1 LYS 31 2.082 3.729 -8.658 272 HD2 LYS 31 HD2 LYS 31 0.717 6.007 -7.242 273 HD3 LYS 31 HD1 LYS 31 1.707 6.234 -8.684 274 HE2 LYS 31 HE2 LYS 31 -0.676 4.395 -8.522 275 HE3 LYS 31 HE1 LYS 31 -0.732 6.044 -9.145 276 HZ1 LYS 31 HZ1 LYS 31 0.936 3.848 -10.251 277 HZ2 LYS 31 HZ2 LYS 31 0.839 5.423 -10.861 278 HZ3 LYS 31 HZ3 LYS 31 -0.514 4.409 -10.919 279 H TRP 32 HN TRP 32 4.531 1.713 -6.220 280 HA TRP 32 HA TRP 32 5.674 3.279 -4.180 281 HB2 TRP 32 HB2 TRP 32 6.970 1.941 -6.558 282 HB3 TRP 32 HB1 TRP 32 7.838 2.594 -5.176 283 HD1 TRP 32 HD1 TRP 32 6.472 -0.545 -6.419 284 HE1 TRP 32 HE1 TRP 32 6.327 -2.304 -4.549 285 HE3 TRP 32 HE3 TRP 32 7.088 2.515 -2.377 286 HZ2 TRP 32 HZ2 TRP 32 6.472 -2.385 -1.735 287 HZ3 TRP 32 HZ3 TRP 32 7.104 1.517 -0.130 288 HH2 TRP 32 HH2 TRP 32 6.785 -0.885 0.183 289 H LYS 33 HN LYS 33 6.366 5.298 -4.118 290 HA LYS 33 HA LYS 33 5.795 7.184 -6.092 291 HB2 LYS 33 HB2 LYS 33 6.161 7.620 -3.638 292 HB3 LYS 33 HB1 LYS 33 7.875 7.463 -3.939 293 HG2 LYS 33 HG2 LYS 33 6.588 9.337 -5.742 294 HG3 LYS 33 HG1 LYS 33 6.434 9.782 -4.039 295 HD2 LYS 33 HD2 LYS 33 9.008 8.998 -5.360 296 HD3 LYS 33 HD1 LYS 33 8.489 10.674 -5.135 297 HE2 LYS 33 HE2 LYS 33 8.800 10.602 -2.866 298 HE3 LYS 33 HE1 LYS 33 8.479 8.868 -2.777 299 HZ1 LYS 33 HZ1 LYS 33 10.656 8.449 -3.727 300 HZ2 LYS 33 HZ2 LYS 33 10.809 9.393 -2.333 301 HZ3 LYS 33 HZ3 LYS 33 10.959 10.109 -3.858 302 H GLY 34 HN GLY 34 9.050 6.125 -5.071 303 HA2 GLY 34 HA2 GLY 34 10.275 7.363 -7.343 304 HA3 GLY 34 HA1 GLY 34 11.071 6.345 -6.158 305 H TRP 35 HN TRP 35 8.290 4.995 -7.695 306 HA TRP 35 HA TRP 35 9.938 3.686 -9.730 307 HB2 TRP 35 HB2 TRP 35 8.332 2.245 -7.626 308 HB3 TRP 35 HB1 TRP 35 8.888 1.474 -9.103 309 HD1 TRP 35 HD1 TRP 35 10.288 3.062 -5.878 310 HE1 TRP 35 HE1 TRP 35 12.623 2.069 -5.445 311 HE3 TRP 35 HE3 TRP 35 10.807 0.324 -10.161 312 HZ2 TRP 35 HZ2 TRP 35 14.444 0.348 -6.750 313 HZ3 TRP 35 HZ3 TRP 35 12.875 -0.968 -10.493 314 HH2 TRP 35 HH2 TRP 35 14.654 -0.956 -8.821 315 HA PRO 36 HA PRO 36 6.381 4.165 -12.289 316 HB2 PRO 36 HB2 PRO 36 6.951 1.583 -13.556 317 HB3 PRO 36 HB1 PRO 36 7.009 3.201 -14.251 318 HG2 PRO 36 HG2 PRO 36 9.230 1.759 -13.760 319 HG3 PRO 36 HG1 PRO 36 9.189 3.520 -13.638 320 HD2 PRO 36 HD2 PRO 36 9.100 1.467 -11.476 321 HD3 PRO 36 HD1 PRO 36 9.947 3.022 -11.518 322 HA PRO 37 HA PRO 37 3.049 1.784 -10.579 323 HB2 PRO 37 HB2 PRO 37 1.363 1.622 -12.752 324 HB3 PRO 37 HB1 PRO 37 1.490 3.033 -11.697 325 HG2 PRO 37 HG2 PRO 37 2.754 2.539 -14.362 326 HG3 PRO 37 HG1 PRO 37 2.025 4.025 -13.723 327 HD2 PRO 37 HD2 PRO 37 4.688 3.680 -13.808 328 HD3 PRO 37 HD1 PRO 37 3.905 4.559 -12.478 329 H LYS 38 HN LYS 38 4.828 0.821 -13.322 330 HA LYS 38 HA LYS 38 3.662 -1.741 -13.756 331 HB2 LYS 38 HB2 LYS 38 6.355 -0.590 -14.506 332 HB3 LYS 38 HB1 LYS 38 5.760 -2.152 -15.059 333 HG2 LYS 38 HG2 LYS 38 4.125 -1.199 -16.401 334 HG3 LYS 38 HG1 LYS 38 4.171 0.335 -15.533 335 HD2 LYS 38 HD2 LYS 38 6.469 -0.713 -17.166 336 HD3 LYS 38 HD1 LYS 38 5.226 0.355 -17.816 337 HE2 LYS 38 HE2 LYS 38 5.798 1.988 -16.014 338 HE3 LYS 38 HE1 LYS 38 7.142 0.943 -15.562 339 HZ1 LYS 38 HZ1 LYS 38 8.042 1.220 -17.801 340 HZ2 LYS 38 HZ2 LYS 38 7.886 2.707 -17.012 341 HZ3 LYS 38 HZ3 LYS 38 6.767 2.260 -18.198 342 H TYR 39 HN TYR 39 5.902 -0.470 -11.486 343 HA TYR 39 HA TYR 39 6.814 -3.153 -10.750 344 HB2 TYR 39 HB2 TYR 39 7.855 -0.398 -10.144 345 HB3 TYR 39 HB1 TYR 39 8.381 -1.799 -9.228 346 HD1 TYR 39 HD2 TYR 39 9.691 -3.581 -10.316 347 HD2 TYR 39 HD1 TYR 39 8.588 -0.036 -12.380 348 HE1 TYR 39 HE2 TYR 39 11.375 -4.070 -12.041 349 HE2 TYR 39 HE1 TYR 39 10.265 -0.508 -14.105 350 HH TYR 39 HH TYR 39 12.343 -1.782 -14.359 351 H SER 40 HN SER 40 4.192 -1.522 -10.057 352 HA SER 40 HA SER 40 4.033 -1.073 -7.336 353 HB2 SER 40 HB2 SER 40 1.876 -2.440 -8.959 354 HB3 SER 40 HB1 SER 40 1.653 -1.502 -7.486 355 HG SER 40 HG SER 40 1.325 -0.493 -9.719 356 H THR 41 HN THR 41 3.207 -2.415 -5.585 357 HA THR 41 HA THR 41 3.494 -5.290 -6.029 358 HB THR 41 HB THR 41 4.941 -5.605 -4.098 359 HG1 THR 41 HG1 THR 41 4.804 -4.024 -2.679 360 HG21 THR 41 HG21 THR 41 5.893 -5.055 -6.406 361 HG22 THR 41 HG22 THR 41 6.977 -4.859 -5.028 362 HG23 THR 41 HG23 THR 41 6.218 -3.446 -5.761 363 H TRP 42 HN TRP 42 2.503 -6.614 -4.460 364 HA TRP 42 HA TRP 42 0.274 -5.306 -3.126 365 HB2 TRP 42 HB2 TRP 42 0.938 -8.183 -3.721 366 HB3 TRP 42 HB1 TRP 42 -0.400 -7.732 -2.668 367 HD1 TRP 42 HD1 TRP 42 0.538 -8.069 -6.288 368 HE1 TRP 42 HE1 TRP 42 -1.483 -7.450 -7.759 369 HE3 TRP 42 HE3 TRP 42 -2.484 -6.020 -2.708 370 HZ2 TRP 42 HZ2 TRP 42 -4.016 -6.254 -7.440 371 HZ3 TRP 42 HZ3 TRP 42 -4.695 -5.167 -3.379 372 HH2 TRP 42 HH2 TRP 42 -5.438 -5.282 -5.706 373 H GLU 43 HN GLU 43 0.648 -4.547 -1.156 374 HA GLU 43 HA GLU 43 2.235 -6.196 0.695 375 HB2 GLU 43 HB2 GLU 43 1.849 -3.199 0.764 376 HB3 GLU 43 HB1 GLU 43 2.842 -4.143 1.865 377 HG2 GLU 43 HG2 GLU 43 3.300 -3.662 -1.065 378 HG3 GLU 43 HG1 GLU 43 4.284 -3.109 0.289 379 HA PRO 44 HA PRO 44 -1.731 -6.941 2.688 380 HB2 PRO 44 HB2 PRO 44 0.191 -7.378 4.939 381 HB3 PRO 44 HB1 PRO 44 -1.204 -8.349 4.447 382 HG2 PRO 44 HG2 PRO 44 1.253 -9.122 3.819 383 HG3 PRO 44 HG1 PRO 44 -0.074 -9.305 2.658 384 HD2 PRO 44 HD2 PRO 44 2.170 -7.352 2.678 385 HD3 PRO 44 HD1 PRO 44 1.302 -8.064 1.304 386 H GLU 45 HN GLU 45 -3.012 -5.970 4.190 387 HA GLU 45 HA GLU 45 -2.676 -3.244 4.660 388 HB2 GLU 45 HB2 GLU 45 -4.846 -4.287 4.598 389 HB3 GLU 45 HB1 GLU 45 -4.468 -5.284 5.990 390 HG2 GLU 45 HG2 GLU 45 -4.403 -2.320 6.236 391 HG3 GLU 45 HG1 GLU 45 -5.947 -3.153 6.214 392 H GLU 46 HN GLU 46 -1.420 -5.945 6.347 393 HA GLU 46 HA GLU 46 -1.002 -4.541 8.841 394 HB2 GLU 46 HB2 GLU 46 -1.301 -6.747 9.346 395 HB3 GLU 46 HB1 GLU 46 -0.631 -7.298 7.817 396 HG2 GLU 46 HG2 GLU 46 1.599 -6.897 8.607 397 HG3 GLU 46 HG1 GLU 46 0.978 -6.233 10.117 398 H HIS 47 HN HIS 47 0.685 -5.250 5.897 399 HA HIS 47 HA HIS 47 3.302 -4.604 6.890 400 HB2 HIS 47 HB2 HIS 47 2.180 -5.108 4.145 401 HB3 HIS 47 HB1 HIS 47 3.830 -4.548 4.373 402 HD1 HIS 47 HD1 HIS 47 1.634 -7.414 5.592 403 HD2 HIS 47 HD2 HIS 47 5.579 -6.534 4.687 404 HE1 HIS 47 HE1 HIS 47 2.879 -9.584 5.858 405 HE2 HIS 47 HE2 HIS 47 5.291 -8.999 5.419 406 H ILE 48 HN ILE 48 0.690 -2.848 5.328 407 HA ILE 48 HA ILE 48 2.094 -0.577 4.481 408 HB ILE 48 HB ILE 48 -0.658 -0.450 5.729 409 HG12 ILE 48 HG12 ILE 48 -0.557 -2.310 4.073 410 HG13 ILE 48 HG11 ILE 48 -1.622 -1.003 3.582 411 HG21 ILE 48 HG21 ILE 48 -0.947 1.345 4.009 412 HG22 ILE 48 HG22 ILE 48 0.772 1.188 3.649 413 HG23 ILE 48 HG23 ILE 48 0.250 1.699 5.255 414 HD11 ILE 48 HD11 ILE 48 -0.236 -0.331 1.881 415 HD12 ILE 48 HD12 ILE 48 -0.020 -2.082 1.864 416 HD13 ILE 48 HD13 ILE 48 1.196 -1.051 2.619 417 H LEU 49 HN LEU 49 3.587 0.224 5.755 418 HA LEU 49 HA LEU 49 3.517 0.315 8.572 419 HB2 LEU 49 HB2 LEU 49 5.216 1.977 6.748 420 HB3 LEU 49 HB1 LEU 49 5.576 1.524 8.392 421 HG LEU 49 HG LEU 49 5.279 -0.530 6.228 422 HD11 LEU 49 HD11 LEU 49 6.911 0.987 5.412 423 HD12 LEU 49 HD12 LEU 49 7.731 -0.453 6.011 424 HD13 LEU 49 HD13 LEU 49 7.735 1.031 6.968 425 HD21 LEU 49 HD21 LEU 49 5.240 -1.432 8.377 426 HD22 LEU 49 HD22 LEU 49 6.567 -0.421 8.934 427 HD23 LEU 49 HD23 LEU 49 6.863 -1.717 7.771 428 H ASP 50 HN ASP 50 1.624 2.074 6.565 429 HA ASP 50 HA ASP 50 1.318 4.155 8.572 430 HB2 ASP 50 HB2 ASP 50 2.909 4.724 6.459 431 HB3 ASP 50 HB1 ASP 50 1.343 5.206 5.811 432 HA PRO 51 HA PRO 51 -2.911 3.021 7.416 433 HB2 PRO 51 HB2 PRO 51 -3.571 5.026 9.463 434 HB3 PRO 51 HB1 PRO 51 -4.031 3.327 9.379 435 HG2 PRO 51 HG2 PRO 51 -2.250 4.190 11.175 436 HG3 PRO 51 HG1 PRO 51 -2.061 2.618 10.377 437 HD2 PRO 51 HD2 PRO 51 -0.682 5.210 9.796 438 HD3 PRO 51 HD1 PRO 51 -0.018 3.567 9.869 439 H ARG 52 HN ARG 52 -1.552 6.270 7.729 440 HA ARG 52 HA ARG 52 -3.617 7.779 6.656 441 HB2 ARG 52 HB2 ARG 52 -0.654 8.047 6.714 442 HB3 ARG 52 HB1 ARG 52 -1.523 9.059 5.570 443 HG2 ARG 52 HG2 ARG 52 -1.165 10.254 7.634 444 HG3 ARG 52 HG1 ARG 52 -2.884 9.941 7.407 445 HD2 ARG 52 HD2 ARG 52 -2.376 9.504 9.689 446 HD3 ARG 52 HD1 ARG 52 -2.638 7.956 8.891 447 HE ARG 52 HE ARG 52 0.107 8.591 8.853 448 HH11 ARG 52 HH11 ARG 52 -2.417 7.592 11.037 449 HH12 ARG 52 HH12 ARG 52 -1.335 6.790 12.126 450 HH21 ARG 52 HH21 ARG 52 1.540 7.538 10.281 451 HH22 ARG 52 HH22 ARG 52 0.914 6.758 11.696 452 H LEU 53 HN LEU 53 -1.316 5.662 5.151 453 HA LEU 53 HA LEU 53 -1.849 6.301 2.439 454 HB2 LEU 53 HB2 LEU 53 -0.586 4.037 3.920 455 HB3 LEU 53 HB1 LEU 53 -1.015 3.795 2.247 456 HG LEU 53 HG LEU 53 0.753 6.046 3.159 457 HD11 LEU 53 HD11 LEU 53 1.425 3.241 2.302 458 HD12 LEU 53 HD12 LEU 53 1.916 4.077 3.779 459 HD13 LEU 53 HD13 LEU 53 2.583 4.571 2.223 460 HD21 LEU 53 HD21 LEU 53 0.203 4.772 0.485 461 HD22 LEU 53 HD22 LEU 53 1.421 6.016 0.781 462 HD23 LEU 53 HD23 LEU 53 -0.291 6.386 1.004 463 H VAL 54 HN VAL 54 -2.964 3.736 4.604 464 HA VAL 54 HA VAL 54 -4.744 2.447 2.882 465 HB VAL 54 HB VAL 54 -4.692 2.712 5.888 466 HG11 VAL 54 HG11 VAL 54 -6.805 1.691 4.196 467 HG12 VAL 54 HG12 VAL 54 -6.805 2.008 5.928 468 HG13 VAL 54 HG13 VAL 54 -6.197 0.470 5.311 469 HG21 VAL 54 HG21 VAL 54 -3.868 0.583 3.938 470 HG22 VAL 54 HG22 VAL 54 -4.033 0.284 5.668 471 HG23 VAL 54 HG23 VAL 54 -2.855 1.460 5.085 472 H MET 55 HN MET 55 -5.486 4.797 5.436 473 HA MET 55 HA MET 55 -8.150 5.188 4.979 474 HB2 MET 55 HB2 MET 55 -6.620 6.235 6.756 475 HB3 MET 55 HB1 MET 55 -6.320 7.490 5.573 476 HG2 MET 55 HG2 MET 55 -8.080 8.520 6.439 477 HG3 MET 55 HG1 MET 55 -9.045 7.321 5.591 478 HE1 MET 55 HE1 MET 55 -8.062 4.804 7.079 479 HE2 MET 55 HE2 MET 55 -9.825 4.851 7.012 480 HE3 MET 55 HE3 MET 55 -9.008 4.563 8.549 481 H ALA 56 HN ALA 56 -5.459 6.978 3.517 482 HA ALA 56 HA ALA 56 -6.869 8.662 1.838 483 HB1 ALA 56 HB1 ALA 56 -4.388 8.659 2.251 484 HB2 ALA 56 HB2 ALA 56 -4.869 8.920 0.576 485 HB3 ALA 56 HB3 ALA 56 -4.268 7.342 1.086 486 H TYR 57 HN TYR 57 -5.921 5.301 1.351 487 HA TYR 57 HA TYR 57 -6.692 5.025 -1.326 488 HB2 TYR 57 HB2 TYR 57 -5.385 3.320 -0.150 489 HB3 TYR 57 HB1 TYR 57 -6.759 2.965 0.889 490 HD1 TYR 57 HD1 TYR 57 -5.733 2.997 -2.677 491 HD2 TYR 57 HD2 TYR 57 -8.276 1.320 0.282 492 HE1 TYR 57 HE1 TYR 57 -6.543 1.353 -4.316 493 HE2 TYR 57 HE2 TYR 57 -9.099 -0.329 -1.347 494 HH TYR 57 HH TYR 57 -9.281 -0.579 -3.784 495 H GLU 58 HN GLU 58 -8.476 4.392 1.669 496 HA GLU 58 HA GLU 58 -10.925 3.737 0.434 497 HB2 GLU 58 HB2 GLU 58 -10.626 4.863 3.171 498 HB3 GLU 58 HB1 GLU 58 -11.879 3.790 2.595 499 HG2 GLU 58 HG2 GLU 58 -10.212 2.015 2.347 500 HG3 GLU 58 HG1 GLU 58 -8.975 3.100 2.978 501 H GLU 59 HN GLU 59 -9.338 6.694 0.940 502 HA GLU 59 HA GLU 59 -11.640 8.382 1.075 503 HB2 GLU 59 HB2 GLU 59 -10.082 9.865 1.671 504 HB3 GLU 59 HB1 GLU 59 -8.827 8.689 1.310 505 HG2 GLU 59 HG2 GLU 59 -8.711 9.467 -0.971 506 HG3 GLU 59 HG1 GLU 59 -10.040 10.587 -0.678 507 H LYS 60 HN LYS 60 -9.531 7.189 -1.469 508 HA LYS 60 HA LYS 60 -10.684 8.731 -3.562 509 HB2 LYS 60 HB2 LYS 60 -9.273 6.087 -3.865 510 HB3 LYS 60 HB1 LYS 60 -9.396 7.384 -5.044 511 HG2 LYS 60 HG2 LYS 60 -7.675 8.492 -4.181 512 HG3 LYS 60 HG1 LYS 60 -8.171 8.177 -2.518 513 HD2 LYS 60 HD2 LYS 60 -6.266 6.943 -2.573 514 HD3 LYS 60 HD1 LYS 60 -7.397 5.725 -3.161 515 HE2 LYS 60 HE2 LYS 60 -5.426 5.745 -4.560 516 HE3 LYS 60 HE1 LYS 60 -6.814 6.336 -5.473 517 HZ1 LYS 60 HZ1 LYS 60 -4.733 8.035 -4.206 518 HZ2 LYS 60 HZ2 LYS 60 -6.061 8.598 -5.089 519 HZ3 LYS 60 HZ3 LYS 60 -4.856 7.694 -5.859 520 H GLU 61 HN GLU 61 -11.255 5.576 -2.166 521 HA GLU 61 HA GLU 61 -13.087 4.616 -4.083 522 HB2 GLU 61 HB2 GLU 61 -12.863 3.956 -1.144 523 HB3 GLU 61 HB1 GLU 61 -13.799 3.039 -2.315 524 HG2 GLU 61 HG2 GLU 61 -11.731 2.546 -3.549 525 HG3 GLU 61 HG1 GLU 61 -10.813 3.410 -2.315 526 H GLU 62 HN GLU 62 -13.667 6.124 -0.911 527 HA GLU 62 HA GLU 62 -16.447 6.186 -1.068 528 HB2 GLU 62 HB2 GLU 62 -16.358 7.955 0.635 529 HB3 GLU 62 HB1 GLU 62 -15.277 6.620 1.011 530 HG2 GLU 62 HG2 GLU 62 -13.411 7.942 0.076 531 HG3 GLU 62 HG1 GLU 62 -14.518 9.298 -0.117 532 H ARG 63 HN ARG 63 -14.041 8.317 -2.429 533 HA ARG 63 HA ARG 63 -15.728 10.463 -3.124 534 HB2 ARG 63 HB2 ARG 63 -13.028 9.553 -3.815 535 HB3 ARG 63 HB1 ARG 63 -13.825 10.505 -5.055 536 HG2 ARG 63 HG2 ARG 63 -13.639 11.413 -2.206 537 HG3 ARG 63 HG1 ARG 63 -12.398 11.759 -3.407 538 HD2 ARG 63 HD2 ARG 63 -13.816 13.651 -3.360 539 HD3 ARG 63 HD1 ARG 63 -14.212 12.768 -4.833 540 HE ARG 63 HE ARG 63 -15.849 12.257 -2.471 541 HH11 ARG 63 HH11 ARG 63 -15.500 13.796 -5.580 542 HH12 ARG 63 HH12 ARG 63 -17.196 14.081 -5.774 543 HH21 ARG 63 HH21 ARG 63 -18.085 12.630 -2.718 544 HH22 ARG 63 HH22 ARG 63 -18.665 13.419 -4.147 545 H ASP 64 HN ASP 64 -14.629 7.660 -4.999 546 HA ASP 64 HA ASP 64 -16.287 8.330 -7.256 547 HB2 ASP 64 HB2 ASP 64 -14.094 7.166 -7.472 548 HB3 ASP 64 HB1 ASP 64 -14.805 5.768 -6.691 549 H ARG 65 HN ARG 65 -16.133 5.458 -5.193 550 HA ARG 65 HA ARG 65 -18.387 4.141 -5.852 551 HB2 ARG 65 HB2 ARG 65 -17.344 4.573 -3.058 552 HB3 ARG 65 HB1 ARG 65 -18.480 3.312 -3.529 553 HG2 ARG 65 HG2 ARG 65 -16.779 2.434 -5.096 554 HG3 ARG 65 HG1 ARG 65 -15.645 3.632 -4.477 555 HD2 ARG 65 HD2 ARG 65 -15.410 1.399 -3.469 556 HD3 ARG 65 HD1 ARG 65 -15.710 2.678 -2.299 557 HE ARG 65 HE ARG 65 -18.015 1.156 -3.226 558 HH11 ARG 65 HH11 ARG 65 -15.637 1.717 -0.742 559 HH12 ARG 65 HH12 ARG 65 -16.541 0.900 0.489 560 HH21 ARG 65 HH21 ARG 65 -19.214 0.080 -1.608 561 HH22 ARG 65 HH22 ARG 65 -18.572 -0.031 -0.003 562 H ALA 66 HN ALA 66 -18.257 6.761 -3.433 563 HA ALA 66 HA ALA 66 -19.895 8.018 -2.463 564 HB1 ALA 66 HB1 ALA 66 -19.860 8.554 -4.999 565 HB2 ALA 66 HB2 ALA 66 -21.108 9.241 -3.964 566 HB3 ALA 66 HB3 ALA 66 -21.468 7.841 -4.978 567 H SER 67 HN SER 67 -20.134 5.176 -2.170 568 HA SER 67 HA SER 67 -22.969 5.047 -1.472 569 HB2 SER 67 HB2 SER 67 -23.139 2.728 -2.318 570 HB3 SER 67 HB1 SER 67 -22.821 3.879 -3.614 571 HG SER 67 HG SER 67 -21.483 2.048 -3.791 572 H GLY 68 HN GLY 68 -22.972 4.781 0.649 573 HA2 GLY 68 HA2 GLY 68 -21.936 2.530 1.943 574 HA3 GLY 68 HA1 GLY 68 -20.780 3.841 2.146 575 H TYR 69 HN TYR 69 -21.208 5.465 3.580 576 HA TYR 69 HA TYR 69 -23.490 5.034 5.341 577 HB2 TYR 69 HB2 TYR 69 -21.057 6.810 5.610 578 HB3 TYR 69 HB1 TYR 69 -22.337 6.693 6.814 579 HD1 TYR 69 HD1 TYR 69 -19.595 4.850 5.165 580 HD2 TYR 69 HD2 TYR 69 -22.441 4.849 8.328 581 HE1 TYR 69 HE1 TYR 69 -18.442 2.943 6.191 582 HE2 TYR 69 HE2 TYR 69 -21.292 2.937 9.365 583 HH TYR 69 HH TYR 69 -18.206 1.911 8.415 584 H ARG 70 HN ARG 70 -22.092 7.501 3.263 585 HA ARG 70 HA ARG 70 -22.890 9.462 2.425 586 HB2 ARG 70 HB2 ARG 70 -24.630 7.562 1.741 587 HB3 ARG 70 HB1 ARG 70 -25.704 8.536 2.732 588 HG2 ARG 70 HG2 ARG 70 -25.166 10.493 1.329 589 HG3 ARG 70 HG1 ARG 70 -24.165 9.450 0.316 590 HD2 ARG 70 HD2 ARG 70 -26.057 8.133 -0.311 591 HD3 ARG 70 HD1 ARG 70 -27.095 8.995 0.823 592 HE ARG 70 HE ARG 70 -25.896 10.740 -1.093 593 HH11 ARG 70 HH11 ARG 70 -28.500 8.476 -0.593 594 HH12 ARG 70 HH12 ARG 70 -29.519 9.185 -1.801 595 HH21 ARG 70 HH21 ARG 70 -27.232 11.676 -2.686 596 HH22 ARG 70 HH22 ARG 70 -28.799 11.003 -2.990 597 H LYS 71 HN LYS 71 -25.275 10.853 2.858 598 HA LYS 71 HA LYS 71 -24.818 11.808 5.586 599 HB2 LYS 71 HB2 LYS 71 -24.646 13.457 3.773 600 HB3 LYS 71 HB1 LYS 71 -26.295 13.098 3.282 601 HG2 LYS 71 HG2 LYS 71 -26.288 15.136 4.532 602 HG3 LYS 71 HG1 LYS 71 -27.077 13.886 5.496 603 HD2 LYS 71 HD2 LYS 71 -25.017 13.560 6.770 604 HD3 LYS 71 HD1 LYS 71 -24.213 14.794 5.796 605 HE2 LYS 71 HE2 LYS 71 -24.933 15.709 7.934 606 HE3 LYS 71 HE1 LYS 71 -25.805 16.466 6.602 607 HZ1 LYS 71 HZ1 LYS 71 -27.680 14.998 7.056 608 HZ2 LYS 71 HZ2 LYS 71 -27.294 15.930 8.413 609 HZ3 LYS 71 HZ3 LYS 71 -26.842 14.302 8.351 610 H1 ALA 15 HT1 ALA 15 11.940 5.457 14.974 611 H2 ALA 15 HT2 ALA 15 12.432 5.623 13.365 612 H3 ALA 15 HT3 ALA 15 10.914 6.189 13.846 613 HA ALA 15 HA ALA 15 11.924 7.846 15.255 614 HB1 ALA 15 HB1 ALA 15 13.944 6.573 15.804 615 HB2 ALA 15 HB2 ALA 15 14.333 8.192 15.223 616 HB3 ALA 15 HB3 ALA 15 14.531 6.801 14.157 617 HA PRO 16 HA PRO 16 11.474 9.291 10.835 618 HB2 PRO 16 HB2 PRO 16 9.379 10.955 11.350 619 HB3 PRO 16 HB1 PRO 16 9.183 9.251 10.926 620 HG2 PRO 16 HG2 PRO 16 9.134 10.552 13.622 621 HG3 PRO 16 HG1 PRO 16 8.070 9.292 12.967 622 HD2 PRO 16 HD2 PRO 16 10.096 8.721 14.651 623 HD3 PRO 16 HD1 PRO 16 9.609 7.613 13.352 624 H ARG 17 HN ARG 17 12.469 11.065 10.076 625 HA ARG 17 HA ARG 17 12.955 13.295 11.938 626 HB2 ARG 17 HB2 ARG 17 14.979 11.888 11.614 627 HB3 ARG 17 HB1 ARG 17 14.901 12.219 9.889 628 HG2 ARG 17 HG2 ARG 17 15.106 14.657 10.451 629 HG3 ARG 17 HG1 ARG 17 15.443 14.166 12.112 630 HD2 ARG 17 HD2 ARG 17 17.524 14.539 10.950 631 HD3 ARG 17 HD1 ARG 17 17.344 12.819 11.292 632 HE ARG 17 HE ARG 17 16.340 13.073 8.788 633 HH11 ARG 17 HH11 ARG 17 19.343 14.022 10.281 634 HH12 ARG 17 HH12 ARG 17 20.267 13.856 8.826 635 HH21 ARG 17 HH21 ARG 17 17.550 12.854 6.868 636 HH22 ARG 17 HH22 ARG 17 19.249 13.193 6.886 637 H LYS 18 HN LYS 18 12.193 12.214 8.741 638 HA LYS 18 HA LYS 18 11.358 14.900 8.016 639 HB2 LYS 18 HB2 LYS 18 12.501 14.441 5.694 640 HB3 LYS 18 HB1 LYS 18 13.414 15.156 7.013 641 HG2 LYS 18 HG2 LYS 18 14.751 13.475 5.957 642 HG3 LYS 18 HG1 LYS 18 14.299 12.913 7.567 643 HD2 LYS 18 HD2 LYS 18 12.504 11.558 6.569 644 HD3 LYS 18 HD1 LYS 18 12.998 12.102 4.965 645 HE2 LYS 18 HE2 LYS 18 15.175 11.066 5.262 646 HE3 LYS 18 HE1 LYS 18 14.740 10.576 6.898 647 HZ1 LYS 18 HZ1 LYS 18 13.419 9.651 4.404 648 HZ2 LYS 18 HZ2 LYS 18 12.990 9.186 5.973 649 HZ3 LYS 18 HZ3 LYS 18 14.499 8.750 5.346 650 H GLN 19 HN GLN 19 10.621 14.620 5.473 651 HA GLN 19 HA GLN 19 8.917 13.863 4.169 652 HB2 GLN 19 HB2 GLN 19 10.551 12.029 3.831 653 HB3 GLN 19 HB1 GLN 19 9.821 11.158 5.174 654 HG2 GLN 19 HG2 GLN 19 7.703 11.063 3.943 655 HG3 GLN 19 HG1 GLN 19 8.464 11.899 2.591 656 HE21 GLN 19 HE21 GLN 19 10.095 9.508 4.548 657 HE22 GLN 19 HE22 GLN 19 10.199 8.294 3.324 658 H LEU 20 HN LEU 20 7.390 14.879 5.617 659 HA LEU 20 HA LEU 20 5.919 13.013 7.343 660 HB2 LEU 20 HB2 LEU 20 6.726 15.104 8.373 661 HB3 LEU 20 HB1 LEU 20 5.792 16.026 7.212 662 HG LEU 20 HG LEU 20 3.717 14.994 8.139 663 HD11 LEU 20 HD11 LEU 20 4.700 12.973 9.067 664 HD12 LEU 20 HD12 LEU 20 3.847 13.882 10.314 665 HD13 LEU 20 HD13 LEU 20 5.608 13.936 10.235 666 HD21 LEU 20 HD21 LEU 20 5.433 16.475 10.129 667 HD22 LEU 20 HD22 LEU 20 3.675 16.350 10.160 668 HD23 LEU 20 HD23 LEU 20 4.474 17.212 8.846 669 H ALA 21 HN ALA 21 5.587 15.189 4.610 670 HA ALA 21 HA ALA 21 2.779 15.111 4.382 671 HB1 ALA 21 HB1 ALA 21 3.109 15.965 2.136 672 HB2 ALA 21 HB2 ALA 21 4.814 15.520 2.194 673 HB3 ALA 21 HB3 ALA 21 4.196 16.779 3.262 674 H THR 22 HN THR 22 5.280 13.273 2.629 675 HA THR 22 HA THR 22 3.237 11.448 1.623 676 HB THR 22 HB THR 22 5.077 10.474 0.275 677 HG1 THR 22 HG1 THR 22 6.958 10.845 1.259 678 HG21 THR 22 HG21 THR 22 4.845 13.479 0.065 679 HG22 THR 22 HG22 THR 22 3.722 12.308 -0.628 680 HG23 THR 22 HG23 THR 22 5.383 12.390 -1.214 681 H LYS 23 HN LYS 23 2.966 9.404 2.317 682 HA LYS 23 HA LYS 23 4.545 8.541 4.611 683 HB2 LYS 23 HB2 LYS 23 2.087 7.262 3.399 684 HB3 LYS 23 HB1 LYS 23 2.814 6.865 4.949 685 HG2 LYS 23 HG2 LYS 23 1.481 9.463 4.206 686 HG3 LYS 23 HG1 LYS 23 0.843 8.219 5.285 687 HD2 LYS 23 HD2 LYS 23 2.762 8.598 6.796 688 HD3 LYS 23 HD1 LYS 23 3.319 9.891 5.734 689 HE2 LYS 23 HE2 LYS 23 1.177 11.067 6.106 690 HE3 LYS 23 HE1 LYS 23 0.707 9.800 7.239 691 HZ1 LYS 23 HZ1 LYS 23 3.049 11.604 7.526 692 HZ2 LYS 23 HZ2 LYS 23 2.622 10.376 8.608 693 HZ3 LYS 23 HZ3 LYS 23 1.603 11.710 8.398 694 H ALA 24 HN ALA 24 4.801 5.982 4.646 695 HA ALA 24 HA ALA 24 5.640 4.977 2.037 696 HB1 ALA 24 HB1 ALA 24 7.876 4.386 2.845 697 HB2 ALA 24 HB2 ALA 24 7.537 5.207 4.369 698 HB3 ALA 24 HB3 ALA 24 7.611 6.129 2.868 699 H ALA 25 HN ALA 25 6.203 2.694 2.061 700 HA ALA 25 HA ALA 25 5.230 1.199 4.389 701 HB1 ALA 25 HB1 ALA 25 4.375 0.554 1.572 702 HB2 ALA 25 HB2 ALA 25 3.380 1.430 2.735 703 HB3 ALA 25 HB3 ALA 25 3.852 -0.239 3.058 704 H ARG 26 HN ARG 26 5.599 -1.282 3.856 705 HA ARG 26 HA ARG 26 8.403 -1.492 2.999 706 HB2 ARG 26 HB2 ARG 26 8.394 -3.613 4.310 707 HB3 ARG 26 HB1 ARG 26 8.049 -2.184 5.278 708 HG2 ARG 26 HG2 ARG 26 5.715 -2.699 5.328 709 HG3 ARG 26 HG1 ARG 26 5.934 -4.017 4.176 710 HD2 ARG 26 HD2 ARG 26 5.691 -4.831 6.474 711 HD3 ARG 26 HD1 ARG 26 7.264 -5.243 5.792 712 HE ARG 26 HE ARG 26 7.928 -3.064 7.080 713 HH11 ARG 26 HH11 ARG 26 5.744 -5.577 8.110 714 HH12 ARG 26 HH12 ARG 26 6.066 -5.344 9.796 715 HH21 ARG 26 HH21 ARG 26 8.355 -2.750 9.299 716 HH22 ARG 26 HH22 ARG 26 7.549 -3.737 10.471 717 H MLY 27 HN MLY 27 9.066 -2.991 1.499 718 HA MLY 27 HA MLY 27 6.928 -4.254 -0.072 719 HB2 MLY 27 HB2 MLY 27 8.639 -2.686 -1.153 720 HB3 MLY 27 HB1 MLY 27 9.816 -3.965 -0.895 721 HG2 MLY 27 HG2 MLY 27 8.215 -5.475 -2.179 722 HG3 MLY 27 HG1 MLY 27 7.393 -3.992 -2.664 723 HD2 MLY 27 HD2 MLY 27 10.283 -4.695 -3.176 724 HD3 MLY 27 HD1 MLY 27 8.983 -4.672 -4.368 725 HE2 MLY 27 HE2 MLY 27 8.688 -2.219 -3.780 726 HE3 MLY 27 HE1 MLY 27 10.217 -2.345 -2.911 727 HH11 MLY 27 HH11 MLY 27 10.928 -0.561 -4.472 728 HH12 MLY 27 HH12 MLY 27 10.949 -0.910 -6.198 729 HH13 MLY 27 HH13 MLY 27 9.411 -0.682 -5.364 730 HH21 MLY 27 HH21 MLY 27 11.710 -4.121 -4.656 731 HH22 MLY 27 HH22 MLY 27 12.280 -2.889 -5.779 732 HH23 MLY 27 HH23 MLY 27 12.254 -2.557 -4.048 733 HZ MLY 27 HZ MLY 27 9.867 -3.024 -5.753 734 H SER 28 HN SER 28 9.961 -4.884 1.587 735 HA SER 28 HA SER 28 9.933 -7.698 0.950 736 HB2 SER 28 HB2 SER 28 11.706 -6.067 2.776 737 HB3 SER 28 HB1 SER 28 11.935 -7.782 2.437 738 HG SER 28 HG SER 28 11.723 -6.647 0.104 739 H ALA 29 HN ALA 29 9.299 -9.353 2.230 740 HA ALA 29 HA ALA 29 8.249 -8.680 4.898 741 HB1 ALA 29 HB1 ALA 29 7.008 -10.530 2.865 742 HB2 ALA 29 HB2 ALA 29 6.377 -8.971 3.396 743 HB3 ALA 29 HB3 ALA 29 6.447 -10.324 4.525 744 HA PRO 30 HA PRO 30 10.998 -11.999 6.081 745 HB2 PRO 30 HB2 PRO 30 10.362 -12.124 8.699 746 HB3 PRO 30 HB1 PRO 30 11.318 -10.800 8.024 747 HG2 PRO 30 HG2 PRO 30 8.405 -10.877 8.705 748 HG3 PRO 30 HG1 PRO 30 9.590 -9.589 8.996 749 HD2 PRO 30 HD2 PRO 30 7.817 -9.557 6.923 750 HD3 PRO 30 HD1 PRO 30 9.407 -8.770 6.860 Start of MODEL 13 1 H MET 1 HT1 MET 1 22.421 -6.689 -3.377 2 HA MET 1 HA MET 1 21.557 -8.154 -5.081 3 HB2 MET 1 HB2 MET 1 23.766 -9.118 -3.292 4 HB3 MET 1 HB1 MET 1 23.310 -10.037 -4.724 5 HG2 MET 1 HG2 MET 1 23.797 -8.118 -6.130 6 HG3 MET 1 HG1 MET 1 24.179 -7.150 -4.708 7 HE1 MET 1 HE1 MET 1 26.208 -7.412 -7.186 8 HE2 MET 1 HE2 MET 1 27.710 -7.568 -6.275 9 HE3 MET 1 HE3 MET 1 26.461 -6.448 -5.731 10 H GLU 2 HN GLU 2 21.342 -10.551 -5.561 11 HA GLU 2 HA GLU 2 20.023 -12.390 -5.441 12 HB2 GLU 2 HB2 GLU 2 20.662 -12.316 -2.494 13 HB3 GLU 2 HB1 GLU 2 20.266 -13.728 -3.464 14 HG2 GLU 2 HG2 GLU 2 22.333 -13.531 -4.678 15 HG3 GLU 2 HG1 GLU 2 22.716 -12.023 -3.846 16 H LEU 3 HN LEU 3 18.191 -10.898 -5.887 17 HA LEU 3 HA LEU 3 16.487 -10.147 -3.700 18 HB2 LEU 3 HB2 LEU 3 14.885 -9.527 -5.547 19 HB3 LEU 3 HB1 LEU 3 16.423 -8.688 -5.543 20 HG LEU 3 HG LEU 3 16.181 -11.117 -7.249 21 HD11 LEU 3 HD11 LEU 3 15.012 -8.436 -7.985 22 HD12 LEU 3 HD12 LEU 3 14.097 -9.914 -7.689 23 HD13 LEU 3 HD13 LEU 3 15.199 -9.819 -9.064 24 HD21 LEU 3 HD21 LEU 3 18.308 -9.992 -7.130 25 HD22 LEU 3 HD22 LEU 3 17.554 -8.445 -7.512 26 HD23 LEU 3 HD23 LEU 3 17.604 -9.724 -8.725 27 H SER 4 HN SER 4 15.568 -11.752 -2.593 28 HA SER 4 HA SER 4 13.602 -13.395 -3.899 29 HB2 SER 4 HB2 SER 4 14.539 -15.551 -3.105 30 HB3 SER 4 HB1 SER 4 15.579 -14.771 -4.295 31 HG SER 4 HG SER 4 16.750 -15.561 -2.484 32 H ALA 5 HN ALA 5 15.526 -13.326 -0.892 33 HA ALA 5 HA ALA 5 13.077 -13.669 0.657 34 HB1 ALA 5 HB1 ALA 5 15.948 -13.680 1.568 35 HB2 ALA 5 HB2 ALA 5 14.983 -15.107 1.191 36 HB3 ALA 5 HB3 ALA 5 14.542 -14.081 2.556 37 H ILE 6 HN ILE 6 15.987 -11.778 1.288 38 HA ILE 6 HA ILE 6 16.325 -9.677 2.082 39 HB ILE 6 HB ILE 6 13.731 -9.076 0.659 40 HG12 ILE 6 HG12 ILE 6 16.580 -8.728 -0.298 41 HG13 ILE 6 HG11 ILE 6 15.546 -10.080 -0.748 42 HG21 ILE 6 HG21 ILE 6 14.276 -7.336 2.251 43 HG22 ILE 6 HG22 ILE 6 14.569 -6.757 0.611 44 HG23 ILE 6 HG23 ILE 6 15.924 -7.245 1.627 45 HD11 ILE 6 HD11 ILE 6 13.999 -8.566 -1.829 46 HD12 ILE 6 HD12 ILE 6 15.625 -8.361 -2.478 47 HD13 ILE 6 HD13 ILE 6 14.976 -7.185 -1.334 48 H GLY 7 HN GLY 7 16.193 -9.785 4.260 49 HA2 GLY 7 HA2 GLY 7 13.703 -10.079 5.653 50 HA3 GLY 7 HA1 GLY 7 15.269 -9.746 6.377 51 H GLU 8 HN GLU 8 12.562 -8.284 4.679 52 HA GLU 8 HA GLU 8 11.608 -6.227 4.784 53 HB2 GLU 8 HB2 GLU 8 13.232 -6.048 7.325 54 HB3 GLU 8 HB1 GLU 8 12.071 -4.829 6.819 55 HG2 GLU 8 HG2 GLU 8 10.276 -6.454 6.932 56 HG3 GLU 8 HG1 GLU 8 11.426 -7.721 7.355 57 H GLN 9 HN GLN 9 12.060 -3.884 4.634 58 HA GLN 9 HA GLN 9 14.705 -2.924 4.356 59 HB2 GLN 9 HB2 GLN 9 14.550 -2.519 1.852 60 HB3 GLN 9 HB1 GLN 9 14.867 -4.174 2.355 61 HG2 GLN 9 HG2 GLN 9 12.503 -4.715 2.036 62 HG3 GLN 9 HG1 GLN 9 12.206 -3.065 1.494 63 HE21 GLN 9 HE21 GLN 9 11.474 -3.824 -0.508 64 HE22 GLN 9 HE22 GLN 9 12.566 -4.404 -1.714 65 H VAL 10 HN VAL 10 11.329 -2.587 3.392 66 HA VAL 10 HA VAL 10 9.889 -0.830 3.453 67 HB VAL 10 HB VAL 10 12.019 0.522 5.108 68 HG11 VAL 10 HG11 VAL 10 9.116 1.183 4.665 69 HG12 VAL 10 HG12 VAL 10 10.519 2.173 4.263 70 HG13 VAL 10 HG13 VAL 10 10.101 1.879 5.951 71 HG21 VAL 10 HG21 VAL 10 9.565 -0.990 6.018 72 HG22 VAL 10 HG22 VAL 10 10.783 -0.228 7.045 73 HG23 VAL 10 HG23 VAL 10 11.215 -1.620 6.053 74 H PHE 11 HN PHE 11 9.386 0.938 2.246 75 HA PHE 11 HA PHE 11 11.482 2.536 1.040 76 HB2 PHE 11 HB2 PHE 11 9.681 0.691 -0.506 77 HB3 PHE 11 HB1 PHE 11 10.271 2.176 -1.243 78 HD1 PHE 11 HD2 PHE 11 12.983 2.438 -0.522 79 HD2 PHE 11 HD1 PHE 11 10.802 -1.134 -1.294 80 HE1 PHE 11 HE2 PHE 11 15.074 1.298 -1.139 81 HE2 PHE 11 HE1 PHE 11 12.889 -2.278 -1.914 82 HZ PHE 11 HZ PHE 11 15.028 -1.062 -1.836 83 H ALA 12 HN ALA 12 9.987 3.880 -0.841 84 HA ALA 12 HA ALA 12 8.016 5.241 0.863 85 HB1 ALA 12 HB1 ALA 12 10.000 6.517 -0.030 86 HB2 ALA 12 HB2 ALA 12 8.422 7.219 -0.379 87 HB3 ALA 12 HB3 ALA 12 9.291 6.337 -1.633 88 H VAL 13 HN VAL 13 5.913 5.201 0.351 89 HA VAL 13 HA VAL 13 5.141 4.039 -2.234 90 HB VAL 13 HB VAL 13 3.645 4.285 0.379 91 HG11 VAL 13 HG11 VAL 13 1.879 2.995 -1.092 92 HG12 VAL 13 HG12 VAL 13 2.577 3.995 -2.371 93 HG13 VAL 13 HG13 VAL 13 1.860 4.755 -0.950 94 HG21 VAL 13 HG21 VAL 13 3.200 1.814 -0.541 95 HG22 VAL 13 HG22 VAL 13 4.545 2.232 0.541 96 HG23 VAL 13 HG23 VAL 13 4.815 2.105 -1.200 97 H GLU 14 HN GLU 14 4.655 5.491 -3.776 98 HA GLU 14 HA GLU 14 4.088 8.176 -3.441 99 HB2 GLU 14 HB2 GLU 14 3.512 6.171 -5.569 100 HB3 GLU 14 HB1 GLU 14 2.575 7.659 -5.617 101 HG2 GLU 14 HG2 GLU 14 5.574 7.574 -5.527 102 HG3 GLU 14 HG1 GLU 14 4.634 7.675 -7.014 103 H SER 15 HN SER 15 2.010 5.363 -3.498 104 HA SER 15 HA SER 15 0.259 5.912 -1.531 105 HB2 SER 15 HB2 SER 15 -1.764 6.839 -2.754 106 HB3 SER 15 HB1 SER 15 -0.468 7.999 -2.474 107 HG SER 15 HG SER 15 -0.715 6.529 -4.880 108 H ILE 16 HN ILE 16 -1.618 4.568 -1.517 109 HA ILE 16 HA ILE 16 -1.220 2.083 -2.715 110 HB ILE 16 HB ILE 16 -3.890 3.128 -1.736 111 HG12 ILE 16 HG12 ILE 16 -1.573 1.970 -0.183 112 HG13 ILE 16 HG11 ILE 16 -2.253 3.585 -0.024 113 HG21 ILE 16 HG21 ILE 16 -4.303 0.787 -1.155 114 HG22 ILE 16 HG22 ILE 16 -2.742 0.339 -1.855 115 HG23 ILE 16 HG23 ILE 16 -4.017 0.991 -2.886 116 HD11 ILE 16 HD11 ILE 16 -2.874 1.925 1.741 117 HD12 ILE 16 HD12 ILE 16 -3.839 1.101 0.530 118 HD13 ILE 16 HD13 ILE 16 -4.212 2.765 0.978 119 H ARG 17 HN ARG 17 -2.752 0.972 -4.201 120 HA ARG 17 HA ARG 17 -3.960 2.758 -6.204 121 HB2 ARG 17 HB2 ARG 17 -1.807 0.804 -6.562 122 HB3 ARG 17 HB1 ARG 17 -3.146 0.578 -7.674 123 HG2 ARG 17 HG2 ARG 17 -2.927 2.982 -8.278 124 HG3 ARG 17 HG1 ARG 17 -1.451 3.031 -7.315 125 HD2 ARG 17 HD2 ARG 17 -0.571 1.162 -8.716 126 HD3 ARG 17 HD1 ARG 17 -2.004 1.321 -9.731 127 HE ARG 17 HE ARG 17 -0.352 3.694 -9.360 128 HH11 ARG 17 HH11 ARG 17 -1.327 1.036 -11.390 129 HH12 ARG 17 HH12 ARG 17 -0.743 1.768 -12.847 130 HH21 ARG 17 HH21 ARG 17 0.414 4.667 -11.273 131 HH22 ARG 17 HH22 ARG 17 0.246 3.831 -12.780 132 H LYS 18 HN LYS 18 -3.771 -0.472 -4.806 133 HA LYS 18 HA LYS 18 -6.627 -0.840 -5.398 134 HB2 LYS 18 HB2 LYS 18 -4.441 -2.847 -5.850 135 HB3 LYS 18 HB1 LYS 18 -6.137 -3.233 -5.886 136 HG2 LYS 18 HG2 LYS 18 -6.350 -2.513 -7.941 137 HG3 LYS 18 HG1 LYS 18 -5.452 -1.039 -7.642 138 HD2 LYS 18 HD2 LYS 18 -3.424 -2.450 -7.722 139 HD3 LYS 18 HD1 LYS 18 -4.422 -3.770 -8.268 140 HE2 LYS 18 HE2 LYS 18 -4.847 -2.801 -10.303 141 HE3 LYS 18 HE1 LYS 18 -4.567 -1.179 -9.684 142 HZ1 LYS 18 HZ1 LYS 18 -2.801 -1.929 -11.185 143 HZ2 LYS 18 HZ2 LYS 18 -2.450 -3.208 -10.135 144 HZ3 LYS 18 HZ3 LYS 18 -2.211 -1.612 -9.632 145 H LYS 19 HN LYS 19 -7.382 -2.932 -4.258 146 HA LYS 19 HA LYS 19 -6.033 -3.570 -1.787 147 HB2 LYS 19 HB2 LYS 19 -7.243 -1.703 -0.941 148 HB3 LYS 19 HB1 LYS 19 -8.702 -2.170 -1.798 149 HG2 LYS 19 HG2 LYS 19 -8.798 -4.209 -0.380 150 HG3 LYS 19 HG1 LYS 19 -7.430 -3.582 0.533 151 HD2 LYS 19 HD2 LYS 19 -8.761 -1.604 1.115 152 HD3 LYS 19 HD1 LYS 19 -10.133 -2.281 0.235 153 HE2 LYS 19 HE2 LYS 19 -9.846 -4.321 1.741 154 HE3 LYS 19 HE1 LYS 19 -8.826 -3.300 2.738 155 HZ1 LYS 19 HZ1 LYS 19 -11.101 -3.308 3.538 156 HZ2 LYS 19 HZ2 LYS 19 -11.659 -2.745 2.044 157 HZ3 LYS 19 HZ3 LYS 19 -10.671 -1.761 3.001 158 H ARG 20 HN ARG 20 -6.074 -5.729 -1.905 159 HA ARG 20 HA ARG 20 -8.629 -6.987 -2.627 160 HB2 ARG 20 HB2 ARG 20 -7.649 -8.448 -4.070 161 HB3 ARG 20 HB1 ARG 20 -6.503 -7.132 -4.229 162 HG2 ARG 20 HG2 ARG 20 -4.967 -8.211 -2.736 163 HG3 ARG 20 HG1 ARG 20 -6.142 -9.482 -2.385 164 HD2 ARG 20 HD2 ARG 20 -6.077 -10.201 -4.707 165 HD3 ARG 20 HD1 ARG 20 -4.949 -8.904 -5.091 166 HE ARG 20 HE ARG 20 -4.041 -10.683 -3.019 167 HH11 ARG 20 HH11 ARG 20 -4.169 -10.095 -6.452 168 HH12 ARG 20 HH12 ARG 20 -2.774 -11.061 -6.799 169 HH21 ARG 20 HH21 ARG 20 -2.204 -11.954 -3.466 170 HH22 ARG 20 HH22 ARG 20 -1.657 -12.119 -5.101 171 H VAL 21 HN VAL 21 -9.423 -8.423 -1.246 172 HA VAL 21 HA VAL 21 -7.769 -9.105 1.086 173 HB VAL 21 HB VAL 21 -10.771 -8.840 0.858 174 HG11 VAL 21 HG11 VAL 21 -9.214 -9.463 3.352 175 HG12 VAL 21 HG12 VAL 21 -9.968 -10.719 2.364 176 HG13 VAL 21 HG13 VAL 21 -10.964 -9.480 3.127 177 HG21 VAL 21 HG21 VAL 21 -8.984 -7.357 2.741 178 HG22 VAL 21 HG22 VAL 21 -10.577 -6.905 2.116 179 HG23 VAL 21 HG23 VAL 21 -9.160 -6.811 1.068 180 H ARG 22 HN ARG 22 -7.892 -11.221 1.960 181 HA ARG 22 HA ARG 22 -9.059 -13.281 0.214 182 HB2 ARG 22 HB2 ARG 22 -6.549 -12.976 -0.113 183 HB3 ARG 22 HB1 ARG 22 -6.366 -13.580 1.528 184 HG2 ARG 22 HG2 ARG 22 -7.434 -15.668 0.899 185 HG3 ARG 22 HG1 ARG 22 -7.670 -15.062 -0.737 186 HD2 ARG 22 HD2 ARG 22 -5.296 -14.923 -1.085 187 HD3 ARG 22 HD1 ARG 22 -5.005 -15.373 0.590 188 HE ARG 22 HE ARG 22 -6.500 -17.410 -0.562 189 HH11 ARG 22 HH11 ARG 22 -3.347 -15.969 -0.921 190 HH12 ARG 22 HH12 ARG 22 -2.606 -17.425 -1.494 191 HH21 ARG 22 HH21 ARG 22 -5.533 -19.330 -1.317 192 HH22 ARG 22 HH22 ARG 22 -3.848 -19.336 -1.718 193 H LYS 23 HN LYS 23 -10.717 -13.836 1.576 194 HA LYS 23 HA LYS 23 -11.773 -14.767 3.365 195 HB2 LYS 23 HB2 LYS 23 -8.994 -15.796 3.859 196 HB3 LYS 23 HB1 LYS 23 -10.365 -16.243 4.864 197 HG2 LYS 23 HG2 LYS 23 -11.384 -17.441 3.162 198 HG3 LYS 23 HG1 LYS 23 -10.468 -16.613 1.906 199 HD2 LYS 23 HD2 LYS 23 -9.644 -18.871 2.148 200 HD3 LYS 23 HD1 LYS 23 -8.421 -17.725 2.703 201 HE2 LYS 23 HE2 LYS 23 -8.506 -19.517 4.278 202 HE3 LYS 23 HE1 LYS 23 -9.235 -18.096 5.024 203 HZ1 LYS 23 HZ1 LYS 23 -10.725 -20.349 3.794 204 HZ2 LYS 23 HZ2 LYS 23 -11.420 -18.984 4.512 205 HZ3 LYS 23 HZ3 LYS 23 -10.539 -20.078 5.455 206 H GLY 24 HN GLY 24 -9.803 -12.270 3.511 207 HA2 GLY 24 HA2 GLY 24 -10.630 -10.671 5.312 208 HA3 GLY 24 HA1 GLY 24 -9.990 -11.877 6.415 209 H LYS 25 HN LYS 25 -7.828 -12.364 4.311 210 HA LYS 25 HA LYS 25 -5.882 -10.636 5.436 211 HB2 LYS 25 HB2 LYS 25 -5.674 -12.370 2.979 212 HB3 LYS 25 HB1 LYS 25 -4.332 -11.691 3.882 213 HG2 LYS 25 HG2 LYS 25 -4.830 -13.062 5.777 214 HG3 LYS 25 HG1 LYS 25 -6.319 -13.637 5.023 215 HD2 LYS 25 HD2 LYS 25 -4.596 -15.315 4.787 216 HD3 LYS 25 HD1 LYS 25 -4.986 -14.621 3.211 217 HE2 LYS 25 HE2 LYS 25 -3.012 -13.310 3.196 218 HE3 LYS 25 HE1 LYS 25 -2.687 -13.655 4.894 219 HZ1 LYS 25 HZ1 LYS 25 -2.291 -15.966 4.309 220 HZ2 LYS 25 HZ2 LYS 25 -1.262 -14.949 3.433 221 HZ3 LYS 25 HZ3 LYS 25 -2.612 -15.637 2.680 222 H VAL 26 HN VAL 26 -6.063 -8.509 5.008 223 HA VAL 26 HA VAL 26 -6.914 -7.559 2.428 224 HB VAL 26 HB VAL 26 -5.802 -5.979 4.737 225 HG11 VAL 26 HG11 VAL 26 -7.528 -5.098 2.431 226 HG12 VAL 26 HG12 VAL 26 -5.789 -4.826 2.550 227 HG13 VAL 26 HG13 VAL 26 -6.881 -4.076 3.714 228 HG21 VAL 26 HG21 VAL 26 -8.692 -6.157 4.118 229 HG22 VAL 26 HG22 VAL 26 -7.898 -5.779 5.645 230 HG23 VAL 26 HG23 VAL 26 -7.938 -7.443 5.056 231 H GLU 27 HN GLU 27 -5.721 -6.579 0.886 232 HA GLU 27 HA GLU 27 -2.835 -6.302 1.289 233 HB2 GLU 27 HB2 GLU 27 -4.182 -7.551 -1.113 234 HB3 GLU 27 HB1 GLU 27 -2.478 -7.153 -1.013 235 HG2 GLU 27 HG2 GLU 27 -2.149 -8.749 0.749 236 HG3 GLU 27 HG1 GLU 27 -3.878 -9.067 0.829 237 H TYR 28 HN TYR 28 -1.875 -4.674 -0.121 238 HA TYR 28 HA TYR 28 -3.841 -2.897 -1.385 239 HB2 TYR 28 HB2 TYR 28 -1.817 -2.179 0.708 240 HB3 TYR 28 HB1 TYR 28 -2.468 -0.969 -0.379 241 HD1 TYR 28 HD1 TYR 28 -5.184 -1.114 -0.516 242 HD2 TYR 28 HD2 TYR 28 -2.794 -2.316 2.793 243 HE1 TYR 28 HE1 TYR 28 -7.104 -0.828 0.980 244 HE2 TYR 28 HE2 TYR 28 -4.711 -2.014 4.288 245 HH TYR 28 HH TYR 28 -6.820 -0.784 4.362 246 H LEU 29 HN LEU 29 -3.249 -2.839 -3.481 247 HA LEU 29 HA LEU 29 -0.583 -3.228 -4.385 248 HB2 LEU 29 HB2 LEU 29 -2.833 -3.465 -5.730 249 HB3 LEU 29 HB1 LEU 29 -2.686 -1.739 -5.930 250 HG LEU 29 HG LEU 29 -1.832 -3.307 -7.804 251 HD11 LEU 29 HD11 LEU 29 -1.631 -0.863 -7.677 252 HD12 LEU 29 HD12 LEU 29 -0.272 -1.636 -8.489 253 HD13 LEU 29 HD13 LEU 29 -0.096 -1.055 -6.832 254 HD21 LEU 29 HD21 LEU 29 0.602 -3.239 -6.038 255 HD22 LEU 29 HD22 LEU 29 0.475 -3.958 -7.642 256 HD23 LEU 29 HD23 LEU 29 -0.402 -4.667 -6.284 257 H VAL 30 HN VAL 30 0.689 -1.705 -3.187 258 HA VAL 30 HA VAL 30 0.008 1.093 -3.513 259 HB VAL 30 HB VAL 30 2.099 1.473 -2.132 260 HG11 VAL 30 HG11 VAL 30 0.941 0.818 -0.039 261 HG12 VAL 30 HG12 VAL 30 -0.228 -0.077 -1.012 262 HG13 VAL 30 HG13 VAL 30 -0.094 1.673 -1.181 263 HG21 VAL 30 HG21 VAL 30 2.760 -0.470 -0.743 264 HG22 VAL 30 HG22 VAL 30 3.247 -0.596 -2.434 265 HG23 VAL 30 HG23 VAL 30 1.858 -1.512 -1.842 266 H LYS 31 HN LYS 31 1.061 2.578 -4.637 267 HA LYS 31 HA LYS 31 2.913 1.650 -6.677 268 HB2 LYS 31 HB2 LYS 31 0.905 3.133 -7.166 269 HB3 LYS 31 HB1 LYS 31 1.757 4.422 -6.329 270 HG2 LYS 31 HG2 LYS 31 3.099 3.001 -8.580 271 HG3 LYS 31 HG1 LYS 31 1.874 4.222 -8.922 272 HD2 LYS 31 HD2 LYS 31 3.159 5.806 -7.481 273 HD3 LYS 31 HD1 LYS 31 4.429 4.586 -7.364 274 HE2 LYS 31 HE2 LYS 31 4.961 6.213 -9.092 275 HE3 LYS 31 HE1 LYS 31 4.680 4.622 -9.800 276 HZ1 LYS 31 HZ1 LYS 31 3.602 6.374 -11.073 277 HZ2 LYS 31 HZ2 LYS 31 2.709 6.844 -9.716 278 HZ3 LYS 31 HZ3 LYS 31 2.453 5.323 -10.411 279 H TRP 32 HN TRP 32 4.992 1.751 -6.348 280 HA TRP 32 HA TRP 32 6.156 3.094 -4.114 281 HB2 TRP 32 HB2 TRP 32 7.416 1.663 -6.457 282 HB3 TRP 32 HB1 TRP 32 8.283 2.206 -5.032 283 HD1 TRP 32 HD1 TRP 32 6.862 -0.803 -6.392 284 HE1 TRP 32 HE1 TRP 32 6.415 -2.561 -4.570 285 HE3 TRP 32 HE3 TRP 32 7.172 2.199 -2.270 286 HZ2 TRP 32 HZ2 TRP 32 6.225 -2.667 -1.759 287 HZ3 TRP 32 HZ3 TRP 32 6.856 1.187 -0.049 288 HH2 TRP 32 HH2 TRP 32 6.387 -1.194 0.198 289 H LYS 33 HN LYS 33 7.301 4.938 -4.012 290 HA LYS 33 HA LYS 33 7.040 6.886 -6.054 291 HB2 LYS 33 HB2 LYS 33 7.344 7.187 -3.476 292 HB3 LYS 33 HB1 LYS 33 9.053 7.101 -3.847 293 HG2 LYS 33 HG2 LYS 33 7.731 8.928 -5.628 294 HG3 LYS 33 HG1 LYS 33 7.414 9.346 -3.939 295 HD2 LYS 33 HD2 LYS 33 10.136 8.769 -5.061 296 HD3 LYS 33 HD1 LYS 33 9.470 10.396 -4.883 297 HE2 LYS 33 HE2 LYS 33 9.482 10.277 -2.558 298 HE3 LYS 33 HE1 LYS 33 9.557 8.513 -2.558 299 HZ1 LYS 33 HZ1 LYS 33 11.672 9.491 -1.916 300 HZ2 LYS 33 HZ2 LYS 33 11.753 10.348 -3.372 301 HZ3 LYS 33 HZ3 LYS 33 11.833 8.658 -3.380 302 H GLY 34 HN GLY 34 8.485 7.650 -7.541 303 HA2 GLY 34 HA2 GLY 34 10.418 7.760 -8.808 304 HA3 GLY 34 HA1 GLY 34 11.230 6.804 -7.576 305 H TRP 35 HN TRP 35 8.822 4.873 -7.945 306 HA TRP 35 HA TRP 35 10.061 3.380 -10.152 307 HB2 TRP 35 HB2 TRP 35 8.351 2.518 -7.826 308 HB3 TRP 35 HB1 TRP 35 8.750 1.447 -9.161 309 HD1 TRP 35 HD1 TRP 35 10.338 3.187 -6.139 310 HE1 TRP 35 HE1 TRP 35 12.601 2.061 -5.647 311 HE3 TRP 35 HE3 TRP 35 10.645 0.147 -10.239 312 HZ2 TRP 35 HZ2 TRP 35 14.290 0.138 -6.837 313 HZ3 TRP 35 HZ3 TRP 35 12.616 -1.305 -10.486 314 HH2 TRP 35 HH2 TRP 35 14.401 -1.308 -8.819 315 HA PRO 36 HA PRO 36 6.452 3.896 -12.594 316 HB2 PRO 36 HB2 PRO 36 6.859 1.789 -14.317 317 HB3 PRO 36 HB1 PRO 36 7.660 3.346 -14.438 318 HG2 PRO 36 HG2 PRO 36 8.758 0.804 -13.654 319 HG3 PRO 36 HG1 PRO 36 9.587 2.291 -14.096 320 HD2 PRO 36 HD2 PRO 36 9.146 1.211 -11.485 321 HD3 PRO 36 HD1 PRO 36 10.014 2.657 -11.948 322 HA PRO 37 HA PRO 37 3.127 1.400 -11.134 323 HB2 PRO 37 HB2 PRO 37 2.234 1.142 -13.961 324 HB3 PRO 37 HB1 PRO 37 1.343 1.710 -12.546 325 HG2 PRO 37 HG2 PRO 37 2.233 3.429 -14.375 326 HG3 PRO 37 HG1 PRO 37 2.269 3.832 -12.648 327 HD2 PRO 37 HD2 PRO 37 4.499 3.012 -14.452 328 HD3 PRO 37 HD1 PRO 37 4.501 4.168 -13.105 329 H LYS 38 HN LYS 38 5.173 0.250 -13.678 330 HA LYS 38 HA LYS 38 4.119 -2.365 -13.923 331 HB2 LYS 38 HB2 LYS 38 6.929 -1.419 -14.474 332 HB3 LYS 38 HB1 LYS 38 6.187 -2.889 -15.088 333 HG2 LYS 38 HG2 LYS 38 4.724 -1.684 -16.491 334 HG3 LYS 38 HG1 LYS 38 5.094 -0.158 -15.691 335 HD2 LYS 38 HD2 LYS 38 7.049 -1.796 -17.299 336 HD3 LYS 38 HD1 LYS 38 6.192 -0.372 -17.890 337 HE2 LYS 38 HE2 LYS 38 7.233 0.908 -15.991 338 HE3 LYS 38 HE1 LYS 38 8.224 -0.512 -15.673 339 HZ1 LYS 38 HZ1 LYS 38 9.120 -0.343 -17.914 340 HZ2 LYS 38 HZ2 LYS 38 9.406 1.076 -17.041 341 HZ3 LYS 38 HZ3 LYS 38 8.181 1.034 -18.207 342 H TYR 39 HN TYR 39 6.212 -0.893 -11.594 343 HA TYR 39 HA TYR 39 7.013 -3.521 -10.581 344 HB2 TYR 39 HB2 TYR 39 8.056 -0.762 -9.942 345 HB3 TYR 39 HB1 TYR 39 8.624 -2.242 -9.190 346 HD1 TYR 39 HD1 TYR 39 8.437 -0.361 -12.291 347 HD2 TYR 39 HD2 TYR 39 10.155 -3.711 -10.345 348 HE1 TYR 39 HE1 TYR 39 10.015 -0.589 -14.140 349 HE2 TYR 39 HE2 TYR 39 11.760 -3.973 -12.194 350 HH TYR 39 HH TYR 39 12.014 -3.371 -14.513 351 H SER 40 HN SER 40 4.443 -1.632 -10.103 352 HA SER 40 HA SER 40 4.235 -1.094 -7.403 353 HB2 SER 40 HB2 SER 40 2.040 -2.240 -9.141 354 HB3 SER 40 HB1 SER 40 1.818 -1.420 -7.602 355 HG SER 40 HG SER 40 2.910 0.413 -8.657 356 H THR 41 HN THR 41 3.323 -2.320 -5.605 357 HA THR 41 HA THR 41 3.385 -5.216 -6.026 358 HB THR 41 HB THR 41 4.752 -5.621 -4.049 359 HG1 THR 41 HG1 THR 41 4.477 -3.876 -2.756 360 HG21 THR 41 HG21 THR 41 5.829 -5.357 -6.281 361 HG22 THR 41 HG22 THR 41 6.890 -4.951 -4.934 362 HG23 THR 41 HG23 THR 41 6.142 -3.668 -5.885 363 H TRP 42 HN TRP 42 2.419 -6.485 -4.369 364 HA TRP 42 HA TRP 42 0.190 -5.107 -3.093 365 HB2 TRP 42 HB2 TRP 42 0.797 -8.012 -3.626 366 HB3 TRP 42 HB1 TRP 42 -0.551 -7.504 -2.613 367 HD1 TRP 42 HD1 TRP 42 0.454 -7.948 -6.201 368 HE1 TRP 42 HE1 TRP 42 -1.506 -7.281 -7.732 369 HE3 TRP 42 HE3 TRP 42 -2.582 -5.747 -2.719 370 HZ2 TRP 42 HZ2 TRP 42 -4.004 -5.991 -7.490 371 HZ3 TRP 42 HZ3 TRP 42 -4.741 -4.826 -3.459 372 HH2 TRP 42 HH2 TRP 42 -5.425 -4.949 -5.805 373 H GLU 43 HN GLU 43 0.542 -4.356 -1.120 374 HA GLU 43 HA GLU 43 2.135 -5.998 0.724 375 HB2 GLU 43 HB2 GLU 43 1.719 -3.007 0.803 376 HB3 GLU 43 HB1 GLU 43 2.729 -3.943 1.896 377 HG2 GLU 43 HG2 GLU 43 3.161 -3.466 -1.040 378 HG3 GLU 43 HG1 GLU 43 4.140 -2.877 0.303 379 HA PRO 44 HA PRO 44 -1.823 -6.798 2.707 380 HB2 PRO 44 HB2 PRO 44 0.114 -7.238 4.944 381 HB3 PRO 44 HB1 PRO 44 -1.279 -8.212 4.458 382 HG2 PRO 44 HG2 PRO 44 1.181 -8.967 3.805 383 HG3 PRO 44 HG1 PRO 44 -0.159 -9.161 2.662 384 HD2 PRO 44 HD2 PRO 44 2.077 -7.203 2.642 385 HD3 PRO 44 HD1 PRO 44 1.175 -7.904 1.285 386 H GLU 45 HN GLU 45 -3.094 -5.841 4.241 387 HA GLU 45 HA GLU 45 -2.763 -3.118 4.674 388 HB2 GLU 45 HB2 GLU 45 -4.931 -4.148 4.668 389 HB3 GLU 45 HB1 GLU 45 -4.528 -5.143 6.055 390 HG2 GLU 45 HG2 GLU 45 -4.455 -2.177 6.293 391 HG3 GLU 45 HG1 GLU 45 -5.999 -3.008 6.304 392 H GLU 46 HN GLU 46 -1.397 -5.753 6.338 393 HA GLU 46 HA GLU 46 -0.944 -4.269 8.797 394 HB2 GLU 46 HB2 GLU 46 -0.042 -7.029 7.954 395 HB3 GLU 46 HB1 GLU 46 0.216 -6.327 9.544 396 HG2 GLU 46 HG2 GLU 46 -2.220 -6.183 9.851 397 HG3 GLU 46 HG1 GLU 46 -2.443 -6.953 8.281 398 H HIS 47 HN HIS 47 0.705 -5.098 5.857 399 HA HIS 47 HA HIS 47 3.341 -4.482 6.822 400 HB2 HIS 47 HB2 HIS 47 2.214 -4.993 4.078 401 HB3 HIS 47 HB1 HIS 47 3.886 -4.517 4.325 402 HD1 HIS 47 HD1 HIS 47 1.530 -7.239 5.576 403 HD2 HIS 47 HD2 HIS 47 5.522 -6.594 4.675 404 HE1 HIS 47 HE1 HIS 47 2.652 -9.469 5.889 405 HE2 HIS 47 HE2 HIS 47 5.066 -9.067 5.288 406 H ILE 48 HN ILE 48 0.810 -2.733 5.082 407 HA ILE 48 HA ILE 48 2.264 -0.490 4.275 408 HB ILE 48 HB ILE 48 -0.553 -0.370 5.376 409 HG12 ILE 48 HG12 ILE 48 -0.351 -2.213 3.730 410 HG13 ILE 48 HG11 ILE 48 -1.375 -0.905 3.155 411 HG21 ILE 48 HG21 ILE 48 -0.776 1.425 3.649 412 HG22 ILE 48 HG22 ILE 48 0.965 1.311 3.398 413 HG23 ILE 48 HG23 ILE 48 0.331 1.800 4.969 414 HD11 ILE 48 HD11 ILE 48 0.154 -0.235 1.566 415 HD12 ILE 48 HD12 ILE 48 0.332 -1.990 1.556 416 HD13 ILE 48 HD13 ILE 48 1.512 -0.989 2.402 417 H LEU 49 HN LEU 49 3.720 0.286 5.617 418 HA LEU 49 HA LEU 49 3.520 0.435 8.420 419 HB2 LEU 49 HB2 LEU 49 5.334 2.024 6.640 420 HB3 LEU 49 HB1 LEU 49 5.608 1.613 8.314 421 HG LEU 49 HG LEU 49 5.361 -0.499 6.200 422 HD11 LEU 49 HD11 LEU 49 7.062 0.956 5.413 423 HD12 LEU 49 HD12 LEU 49 7.822 -0.484 6.086 424 HD13 LEU 49 HD13 LEU 49 7.821 1.026 7.000 425 HD21 LEU 49 HD21 LEU 49 5.199 -1.305 8.396 426 HD22 LEU 49 HD22 LEU 49 6.566 -0.346 8.945 427 HD23 LEU 49 HD23 LEU 49 6.817 -1.696 7.837 428 H ASP 50 HN ASP 50 1.774 2.208 6.298 429 HA ASP 50 HA ASP 50 1.490 4.361 8.252 430 HB2 ASP 50 HB2 ASP 50 2.089 4.730 5.328 431 HB3 ASP 50 HB1 ASP 50 1.289 5.983 6.271 432 HA PRO 51 HA PRO 51 -2.752 3.022 7.379 433 HB2 PRO 51 HB2 PRO 51 -3.339 4.952 9.512 434 HB3 PRO 51 HB1 PRO 51 -3.732 3.235 9.428 435 HG2 PRO 51 HG2 PRO 51 -1.863 4.149 11.110 436 HG3 PRO 51 HG1 PRO 51 -1.669 2.597 10.275 437 HD2 PRO 51 HD2 PRO 51 -0.441 5.250 9.637 438 HD3 PRO 51 HD1 PRO 51 0.292 3.634 9.638 439 H ARG 52 HN ARG 52 -1.172 5.993 7.105 440 HA ARG 52 HA ARG 52 -3.373 7.663 6.485 441 HB2 ARG 52 HB2 ARG 52 -0.432 7.794 6.330 442 HB3 ARG 52 HB1 ARG 52 -1.270 8.753 5.124 443 HG2 ARG 52 HG2 ARG 52 -1.908 8.934 8.050 444 HG3 ARG 52 HG1 ARG 52 -0.662 9.918 7.282 445 HD2 ARG 52 HD2 ARG 52 -3.563 9.827 6.467 446 HD3 ARG 52 HD1 ARG 52 -2.824 11.087 7.453 447 HE ARG 52 HE ARG 52 -1.294 11.262 5.333 448 HH11 ARG 52 HH11 ARG 52 -4.743 10.780 5.460 449 HH12 ARG 52 HH12 ARG 52 -5.036 11.567 3.946 450 HH21 ARG 52 HH21 ARG 52 -1.672 12.300 3.342 451 HH22 ARG 52 HH22 ARG 52 -3.291 12.431 2.742 452 H LEU 53 HN LEU 53 -1.230 5.567 4.652 453 HA LEU 53 HA LEU 53 -2.114 6.179 2.057 454 HB2 LEU 53 HB2 LEU 53 -0.953 3.675 3.277 455 HB3 LEU 53 HB1 LEU 53 -1.215 3.896 1.570 456 HG LEU 53 HG LEU 53 0.475 5.865 3.047 457 HD11 LEU 53 HD11 LEU 53 1.362 3.179 2.007 458 HD12 LEU 53 HD12 LEU 53 1.396 3.718 3.686 459 HD13 LEU 53 HD13 LEU 53 2.443 4.484 2.491 460 HD21 LEU 53 HD21 LEU 53 0.304 4.821 0.238 461 HD22 LEU 53 HD22 LEU 53 1.577 5.905 0.803 462 HD23 LEU 53 HD23 LEU 53 -0.107 6.438 0.811 463 H VAL 54 HN VAL 54 -2.983 3.696 4.398 464 HA VAL 54 HA VAL 54 -4.967 2.370 2.947 465 HB VAL 54 HB VAL 54 -4.597 2.703 5.925 466 HG11 VAL 54 HG11 VAL 54 -6.800 1.593 4.466 467 HG12 VAL 54 HG12 VAL 54 -6.601 1.790 6.204 468 HG13 VAL 54 HG13 VAL 54 -5.996 0.338 5.405 469 HG21 VAL 54 HG21 VAL 54 -3.818 0.576 3.959 470 HG22 VAL 54 HG22 VAL 54 -3.774 0.340 5.706 471 HG23 VAL 54 HG23 VAL 54 -2.753 1.567 4.952 472 H MET 55 HN MET 55 -5.372 4.748 5.550 473 HA MET 55 HA MET 55 -8.093 5.065 5.463 474 HB2 MET 55 HB2 MET 55 -6.349 6.121 7.039 475 HB3 MET 55 HB1 MET 55 -6.270 7.413 5.860 476 HG2 MET 55 HG2 MET 55 -7.909 8.346 7.032 477 HG3 MET 55 HG1 MET 55 -8.948 7.164 6.250 478 HE1 MET 55 HE1 MET 55 -7.674 4.603 7.504 479 HE2 MET 55 HE2 MET 55 -9.439 4.603 7.578 480 HE3 MET 55 HE3 MET 55 -8.495 4.261 9.030 481 H ALA 56 HN ALA 56 -5.686 7.030 3.731 482 HA ALA 56 HA ALA 56 -7.481 8.598 2.280 483 HB1 ALA 56 HB1 ALA 56 -4.719 7.725 1.471 484 HB2 ALA 56 HB2 ALA 56 -5.101 9.118 2.478 485 HB3 ALA 56 HB3 ALA 56 -5.613 9.080 0.790 486 H TYR 57 HN TYR 57 -6.178 5.385 1.635 487 HA TYR 57 HA TYR 57 -7.042 5.151 -1.029 488 HB2 TYR 57 HB2 TYR 57 -5.500 3.525 -0.060 489 HB3 TYR 57 HB1 TYR 57 -6.745 2.976 1.055 490 HD1 TYR 57 HD1 TYR 57 -5.704 3.059 -2.465 491 HD2 TYR 57 HD2 TYR 57 -8.471 1.488 0.340 492 HE1 TYR 57 HE1 TYR 57 -6.536 1.488 -4.174 493 HE2 TYR 57 HE2 TYR 57 -9.309 -0.089 -1.342 494 HH TYR 57 HH TYR 57 -7.713 -0.700 -4.246 495 H GLU 58 HN GLU 58 -8.571 4.204 2.019 496 HA GLU 58 HA GLU 58 -11.019 3.371 0.870 497 HB2 GLU 58 HB2 GLU 58 -10.656 4.357 3.658 498 HB3 GLU 58 HB1 GLU 58 -11.855 3.222 3.082 499 HG2 GLU 58 HG2 GLU 58 -8.916 2.645 3.012 500 HG3 GLU 58 HG1 GLU 58 -9.925 2.273 4.409 501 H GLU 59 HN GLU 59 -9.650 6.393 1.327 502 HA GLU 59 HA GLU 59 -12.070 7.881 1.776 503 HB2 GLU 59 HB2 GLU 59 -10.563 9.390 2.447 504 HB3 GLU 59 HB1 GLU 59 -9.254 8.386 1.835 505 HG2 GLU 59 HG2 GLU 59 -9.417 9.421 -0.328 506 HG3 GLU 59 HG1 GLU 59 -10.811 10.367 0.195 507 H LYS 60 HN LYS 60 -9.942 7.191 -0.959 508 HA LYS 60 HA LYS 60 -11.381 8.746 -2.843 509 HB2 LYS 60 HB2 LYS 60 -9.656 6.342 -3.431 510 HB3 LYS 60 HB1 LYS 60 -10.019 7.685 -4.503 511 HG2 LYS 60 HG2 LYS 60 -8.400 8.945 -3.658 512 HG3 LYS 60 HG1 LYS 60 -8.782 8.496 -1.995 513 HD2 LYS 60 HD2 LYS 60 -6.711 7.555 -2.221 514 HD3 LYS 60 HD1 LYS 60 -7.726 6.204 -2.724 515 HE2 LYS 60 HE2 LYS 60 -7.416 6.909 -5.077 516 HE3 LYS 60 HE1 LYS 60 -6.309 8.164 -4.525 517 HZ1 LYS 60 HZ1 LYS 60 -5.153 6.164 -5.292 518 HZ2 LYS 60 HZ2 LYS 60 -5.921 5.251 -4.092 519 HZ3 LYS 60 HZ3 LYS 60 -4.843 6.479 -3.659 520 H GLU 61 HN GLU 61 -11.402 5.340 -1.919 521 HA GLU 61 HA GLU 61 -13.284 4.487 -3.835 522 HB2 GLU 61 HB2 GLU 61 -12.559 3.327 -1.147 523 HB3 GLU 61 HB1 GLU 61 -13.551 2.513 -2.350 524 HG2 GLU 61 HG2 GLU 61 -10.694 3.376 -2.728 525 HG3 GLU 61 HG1 GLU 61 -11.243 1.741 -2.380 526 H GLU 62 HN GLU 62 -13.693 5.287 -0.386 527 HA GLU 62 HA GLU 62 -16.410 4.829 -0.192 528 HB2 GLU 62 HB2 GLU 62 -16.443 6.284 1.717 529 HB3 GLU 62 HB1 GLU 62 -14.921 5.408 1.712 530 HG2 GLU 62 HG2 GLU 62 -13.745 7.324 0.916 531 HG3 GLU 62 HG1 GLU 62 -15.250 8.205 0.680 532 H ARG 63 HN ARG 63 -14.738 7.697 -1.386 533 HA ARG 63 HA ARG 63 -16.937 9.381 -1.696 534 HB2 ARG 63 HB2 ARG 63 -14.244 9.185 -2.924 535 HB3 ARG 63 HB1 ARG 63 -15.431 10.204 -3.723 536 HG2 ARG 63 HG2 ARG 63 -14.582 10.443 -0.844 537 HG3 ARG 63 HG1 ARG 63 -14.025 11.461 -2.169 538 HD2 ARG 63 HD2 ARG 63 -16.299 12.247 -2.546 539 HD3 ARG 63 HD1 ARG 63 -16.885 11.199 -1.256 540 HE ARG 63 HE ARG 63 -14.855 13.127 -0.499 541 HH11 ARG 63 HH11 ARG 63 -18.247 12.357 -0.694 542 HH12 ARG 63 HH12 ARG 63 -18.713 13.528 0.494 543 HH21 ARG 63 HH21 ARG 63 -15.460 14.672 1.068 544 HH22 ARG 63 HH22 ARG 63 -17.130 14.843 1.495 545 H ASP 64 HN ASP 64 -15.438 7.241 -4.113 546 HA ASP 64 HA ASP 64 -17.561 7.685 -6.007 547 HB2 ASP 64 HB2 ASP 64 -15.190 7.268 -6.664 548 HB3 ASP 64 HB1 ASP 64 -15.369 5.622 -6.090 549 H ARG 65 HN ARG 65 -16.307 4.725 -4.514 550 HA ARG 65 HA ARG 65 -18.245 2.945 -5.179 551 HB2 ARG 65 HB2 ARG 65 -16.844 3.099 -2.511 552 HB3 ARG 65 HB1 ARG 65 -17.667 1.684 -3.150 553 HG2 ARG 65 HG2 ARG 65 -16.031 1.953 -5.150 554 HG3 ARG 65 HG1 ARG 65 -15.091 2.922 -4.009 555 HD2 ARG 65 HD2 ARG 65 -14.344 0.616 -3.985 556 HD3 ARG 65 HD1 ARG 65 -15.070 1.060 -2.443 557 HE ARG 65 HE ARG 65 -16.954 -0.156 -4.204 558 HH11 ARG 65 HH11 ARG 65 -14.363 -0.820 -1.972 559 HH12 ARG 65 HH12 ARG 65 -14.925 -2.414 -1.592 560 HH21 ARG 65 HH21 ARG 65 -17.703 -2.255 -3.710 561 HH22 ARG 65 HH22 ARG 65 -16.824 -3.229 -2.579 562 H ALA 66 HN ALA 66 -18.615 5.592 -2.984 563 HA ALA 66 HA ALA 66 -20.538 4.889 -1.213 564 HB1 ALA 66 HB1 ALA 66 -19.799 7.124 -1.194 565 HB2 ALA 66 HB2 ALA 66 -21.518 7.201 -1.577 566 HB3 ALA 66 HB3 ALA 66 -20.320 7.395 -2.857 567 H SER 67 HN SER 67 -21.171 5.787 -4.602 568 HA SER 67 HA SER 67 -23.903 4.759 -4.307 569 HB2 SER 67 HB2 SER 67 -23.728 7.035 -5.192 570 HB3 SER 67 HB1 SER 67 -22.684 6.463 -6.494 571 HG SER 67 HG SER 67 -25.040 6.728 -6.928 572 H GLY 68 HN GLY 68 -21.190 4.650 -6.620 573 HA2 GLY 68 HA2 GLY 68 -20.441 2.380 -7.269 574 HA3 GLY 68 HA1 GLY 68 -22.142 1.968 -7.421 575 H TYR 69 HN TYR 69 -22.592 4.722 -8.603 576 HA TYR 69 HA TYR 69 -22.146 3.922 -11.343 577 HB2 TYR 69 HB2 TYR 69 -23.515 6.330 -10.135 578 HB3 TYR 69 HB1 TYR 69 -23.407 6.028 -11.866 579 HD1 TYR 69 HD1 TYR 69 -24.857 4.819 -8.696 580 HD2 TYR 69 HD2 TYR 69 -24.818 4.424 -12.932 581 HE1 TYR 69 HE1 TYR 69 -26.889 3.449 -8.581 582 HE2 TYR 69 HE2 TYR 69 -26.854 3.050 -12.828 583 HH TYR 69 HH TYR 69 -28.764 2.802 -10.034 584 H ARG 70 HN ARG 70 -20.059 4.127 -11.932 585 HA ARG 70 HA ARG 70 -18.635 6.612 -11.342 586 HB2 ARG 70 HB2 ARG 70 -16.664 5.397 -12.265 587 HB3 ARG 70 HB1 ARG 70 -17.383 4.634 -10.858 588 HG2 ARG 70 HG2 ARG 70 -18.573 3.076 -12.378 589 HG3 ARG 70 HG1 ARG 70 -17.697 3.805 -13.727 590 HD2 ARG 70 HD2 ARG 70 -16.603 1.766 -13.000 591 HD3 ARG 70 HD1 ARG 70 -15.591 3.181 -12.712 592 HE ARG 70 HE ARG 70 -16.045 2.983 -10.381 593 HH11 ARG 70 HH11 ARG 70 -17.256 0.344 -12.309 594 HH12 ARG 70 HH12 ARG 70 -17.395 -0.741 -10.967 595 HH21 ARG 70 HH21 ARG 70 -16.223 1.559 -8.609 596 HH22 ARG 70 HH22 ARG 70 -16.808 -0.052 -8.865 597 H LYS 71 HN LYS 71 -16.868 6.652 -13.469 598 HA LYS 71 HA LYS 71 -18.590 7.085 -15.814 599 HB2 LYS 71 HB2 LYS 71 -18.136 9.234 -14.672 600 HB3 LYS 71 HB1 LYS 71 -16.411 8.953 -14.862 601 HG2 LYS 71 HG2 LYS 71 -16.637 9.030 -17.277 602 HG3 LYS 71 HG1 LYS 71 -18.381 9.243 -17.122 603 HD2 LYS 71 HD2 LYS 71 -16.310 11.145 -16.028 604 HD3 LYS 71 HD1 LYS 71 -17.166 11.361 -17.556 605 HE2 LYS 71 HE2 LYS 71 -19.296 11.411 -16.354 606 HE3 LYS 71 HE1 LYS 71 -18.441 11.191 -14.827 607 HZ1 LYS 71 HZ1 LYS 71 -18.996 13.510 -15.209 608 HZ2 LYS 71 HZ2 LYS 71 -18.131 13.506 -16.661 609 HZ3 LYS 71 HZ3 LYS 71 -17.318 13.297 -15.194 610 H1 ALA 15 HT1 ALA 15 -4.164 13.458 1.547 611 H2 ALA 15 HT2 ALA 15 -2.803 14.454 1.436 612 H3 ALA 15 HT3 ALA 15 -2.820 12.955 0.651 613 HA ALA 15 HA ALA 15 -3.153 14.596 -0.985 614 HB1 ALA 15 HB1 ALA 15 -4.454 12.567 -1.254 615 HB2 ALA 15 HB2 ALA 15 -5.345 13.958 -1.868 616 HB3 ALA 15 HB3 ALA 15 -5.769 13.260 -0.307 617 HA PRO 16 HA PRO 16 -6.883 17.410 0.605 618 HB2 PRO 16 HB2 PRO 16 -6.468 16.981 3.519 619 HB3 PRO 16 HB1 PRO 16 -7.967 17.242 2.620 620 HG2 PRO 16 HG2 PRO 16 -7.332 14.821 3.525 621 HG3 PRO 16 HG1 PRO 16 -8.100 15.029 1.940 622 HD2 PRO 16 HD2 PRO 16 -5.246 14.447 2.605 623 HD3 PRO 16 HD1 PRO 16 -6.239 13.842 1.265 624 H ARG 17 HN ARG 17 -6.106 19.396 0.369 625 HA ARG 17 HA ARG 17 -4.796 21.246 0.527 626 HB2 ARG 17 HB2 ARG 17 -4.426 20.268 3.364 627 HB3 ARG 17 HB1 ARG 17 -4.025 21.880 2.785 628 HG2 ARG 17 HG2 ARG 17 -6.791 20.688 2.753 629 HG3 ARG 17 HG1 ARG 17 -6.172 21.771 4.001 630 HD2 ARG 17 HD2 ARG 17 -5.833 23.516 2.331 631 HD3 ARG 17 HD1 ARG 17 -6.408 22.431 1.066 632 HE ARG 17 HE ARG 17 -8.324 22.754 3.155 633 HH11 ARG 17 HH11 ARG 17 -7.019 24.249 0.291 634 HH12 ARG 17 HH12 ARG 17 -8.461 25.143 -0.057 635 HH21 ARG 17 HH21 ARG 17 -10.227 23.927 2.706 636 HH22 ARG 17 HH22 ARG 17 -10.284 24.961 1.317 637 H LYS 18 HN LYS 18 -2.446 21.786 1.921 638 HA LYS 18 HA LYS 18 -0.497 20.735 0.236 639 HB2 LYS 18 HB2 LYS 18 -0.263 22.824 1.541 640 HB3 LYS 18 HB1 LYS 18 -0.110 21.870 3.011 641 HG2 LYS 18 HG2 LYS 18 1.936 20.854 2.135 642 HG3 LYS 18 HG1 LYS 18 1.783 21.823 0.668 643 HD2 LYS 18 HD2 LYS 18 2.030 22.969 3.447 644 HD3 LYS 18 HD1 LYS 18 3.382 22.756 2.335 645 HE2 LYS 18 HE2 LYS 18 0.928 24.433 1.812 646 HE3 LYS 18 HE1 LYS 18 2.503 25.053 2.308 647 HZ1 LYS 18 HZ1 LYS 18 2.154 25.230 -0.088 648 HZ2 LYS 18 HZ2 LYS 18 1.973 23.553 -0.200 649 HZ3 LYS 18 HZ3 LYS 18 3.457 24.212 0.270 650 H GLN 19 HN GLN 19 1.189 19.236 0.569 651 HA GLN 19 HA GLN 19 0.990 17.434 2.854 652 HB2 GLN 19 HB2 GLN 19 1.002 15.440 1.372 653 HB3 GLN 19 HB1 GLN 19 -0.479 16.380 1.252 654 HG2 GLN 19 HG2 GLN 19 0.351 17.413 -0.806 655 HG3 GLN 19 HG1 GLN 19 1.817 16.440 -0.692 656 HE21 GLN 19 HE21 GLN 19 -0.227 16.535 -2.779 657 HE22 GLN 19 HE22 GLN 19 -0.820 14.921 -2.938 658 H LEU 20 HN LEU 20 2.867 16.122 3.162 659 HA LEU 20 HA LEU 20 5.229 17.168 1.749 660 HB2 LEU 20 HB2 LEU 20 4.936 16.147 4.570 661 HB3 LEU 20 HB1 LEU 20 6.488 16.447 3.812 662 HG LEU 20 HG LEU 20 5.687 18.846 3.462 663 HD11 LEU 20 HD11 LEU 20 3.621 17.923 5.454 664 HD12 LEU 20 HD12 LEU 20 3.328 18.540 3.827 665 HD13 LEU 20 HD13 LEU 20 3.974 19.608 5.072 666 HD21 LEU 20 HD21 LEU 20 6.324 19.494 5.723 667 HD22 LEU 20 HD22 LEU 20 7.361 18.201 5.121 668 HD23 LEU 20 HD23 LEU 20 6.079 17.838 6.276 669 H ALA 21 HN ALA 21 3.291 14.579 1.770 670 HA ALA 21 HA ALA 21 3.459 12.415 1.096 671 HB1 ALA 21 HB1 ALA 21 6.148 13.270 0.034 672 HB2 ALA 21 HB2 ALA 21 4.610 13.470 -0.806 673 HB3 ALA 21 HB3 ALA 21 5.224 11.853 -0.463 674 H THR 22 HN THR 22 3.900 12.574 3.703 675 HA THR 22 HA THR 22 6.433 11.363 4.416 676 HB THR 22 HB THR 22 5.472 13.005 5.940 677 HG1 THR 22 HG1 THR 22 6.128 11.882 7.635 678 HG21 THR 22 HG21 THR 22 3.429 12.517 7.203 679 HG22 THR 22 HG22 THR 22 3.200 11.038 6.270 680 HG23 THR 22 HG23 THR 22 3.100 12.609 5.473 681 H LYS 23 HN LYS 23 3.549 10.230 3.215 682 HA LYS 23 HA LYS 23 3.174 7.880 4.761 683 HB2 LYS 23 HB2 LYS 23 2.304 8.625 1.967 684 HB3 LYS 23 HB1 LYS 23 1.860 7.108 2.735 685 HG2 LYS 23 HG2 LYS 23 0.033 8.572 3.018 686 HG3 LYS 23 HG1 LYS 23 0.833 8.457 4.586 687 HD2 LYS 23 HD2 LYS 23 0.246 10.757 4.157 688 HD3 LYS 23 HD1 LYS 23 2.000 10.587 4.101 689 HE2 LYS 23 HE2 LYS 23 1.900 10.498 1.648 690 HE3 LYS 23 HE1 LYS 23 0.149 10.695 1.720 691 HZ1 LYS 23 HZ1 LYS 23 2.158 12.660 2.683 692 HZ2 LYS 23 HZ2 LYS 23 0.480 12.851 2.773 693 HZ3 LYS 23 HZ3 LYS 23 1.243 12.791 1.265 694 H ALA 24 HN ALA 24 3.790 5.749 4.351 695 HA ALA 24 HA ALA 24 5.396 5.022 2.103 696 HB1 ALA 24 HB1 ALA 24 7.078 6.278 3.334 697 HB2 ALA 24 HB2 ALA 24 7.476 4.561 3.309 698 HB3 ALA 24 HB3 ALA 24 6.790 5.287 4.763 699 H ALA 25 HN ALA 25 6.314 2.775 2.381 700 HA ALA 25 HA ALA 25 5.072 1.133 4.418 701 HB1 ALA 25 HB1 ALA 25 3.303 1.336 2.724 702 HB2 ALA 25 HB2 ALA 25 3.891 -0.318 2.881 703 HB3 ALA 25 HB3 ALA 25 4.401 0.673 1.514 704 H ARG 26 HN ARG 26 5.485 -1.343 3.495 705 HA ARG 26 HA ARG 26 8.357 -1.393 2.822 706 HB2 ARG 26 HB2 ARG 26 8.462 -3.501 4.140 707 HB3 ARG 26 HB1 ARG 26 8.039 -2.096 5.107 708 HG2 ARG 26 HG2 ARG 26 5.722 -2.738 5.123 709 HG3 ARG 26 HG1 ARG 26 6.051 -4.076 4.020 710 HD2 ARG 26 HD2 ARG 26 5.823 -4.792 6.371 711 HD3 ARG 26 HD1 ARG 26 7.400 -5.177 5.684 712 HE ARG 26 HE ARG 26 7.725 -2.748 6.913 713 HH11 ARG 26 HH11 ARG 26 6.696 -5.928 7.899 714 HH12 ARG 26 HH12 ARG 26 7.263 -5.748 9.525 715 HH21 ARG 26 HH21 ARG 26 8.472 -2.501 9.054 716 HH22 ARG 26 HH22 ARG 26 8.273 -3.799 10.183 717 H MLY 27 HN MLY 27 9.105 -3.330 1.690 718 HA MLY 27 HA MLY 27 6.995 -4.507 -0.001 719 HB2 MLY 27 HB2 MLY 27 8.688 -2.909 -1.097 720 HB3 MLY 27 HB1 MLY 27 9.867 -4.192 -0.855 721 HG2 MLY 27 HG2 MLY 27 8.185 -5.689 -2.096 722 HG3 MLY 27 HG1 MLY 27 7.439 -4.176 -2.612 723 HD2 MLY 27 HD2 MLY 27 10.321 -4.955 -3.062 724 HD3 MLY 27 HD1 MLY 27 9.035 -5.040 -4.268 725 HE2 MLY 27 HE2 MLY 27 8.706 -2.578 -3.967 726 HE3 MLY 27 HE1 MLY 27 10.139 -2.568 -2.940 727 HH11 MLY 27 HH11 MLY 27 10.596 -0.836 -4.837 728 HH12 MLY 27 HH12 MLY 27 10.960 -1.502 -6.427 729 HH13 MLY 27 HH13 MLY 27 9.293 -1.461 -5.849 730 HH21 MLY 27 HH21 MLY 27 12.551 -3.069 -5.446 731 HH22 MLY 27 HH22 MLY 27 12.216 -2.357 -3.871 732 HH23 MLY 27 HH23 MLY 27 12.051 -4.098 -4.102 733 HZ MLY 27 HZ MLY 27 10.231 -3.675 -5.643 734 H SER 28 HN SER 28 9.405 -5.101 2.281 735 HA SER 28 HA SER 28 9.259 -7.981 1.725 736 HB2 SER 28 HB2 SER 28 11.758 -6.463 2.503 737 HB3 SER 28 HB1 SER 28 11.631 -8.219 2.389 738 HG SER 28 HG SER 28 11.557 -6.294 0.338 739 H ALA 29 HN ALA 29 9.363 -9.341 3.527 740 HA ALA 29 HA ALA 29 9.799 -8.447 6.172 741 HB1 ALA 29 HB1 ALA 29 7.522 -8.549 7.043 742 HB2 ALA 29 HB2 ALA 29 6.901 -8.816 5.414 743 HB3 ALA 29 HB3 ALA 29 7.674 -7.285 5.823 744 HA PRO 30 HA PRO 30 10.199 -12.810 6.717 745 HB2 PRO 30 HB2 PRO 30 9.654 -13.064 9.380 746 HB3 PRO 30 HB1 PRO 30 11.180 -12.428 8.754 747 HG2 PRO 30 HG2 PRO 30 8.783 -10.945 9.769 748 HG3 PRO 30 HG1 PRO 30 10.503 -10.645 10.088 749 HD2 PRO 30 HD2 PRO 30 9.122 -9.189 8.299 750 HD3 PRO 30 HD1 PRO 30 10.829 -9.605 8.044 Start of MODEL 14 1 H MET 1 HT1 MET 1 15.996 -18.167 -6.839 2 HA MET 1 HA MET 1 17.818 -16.591 -6.878 3 HB2 MET 1 HB2 MET 1 16.392 -15.742 -9.356 4 HB3 MET 1 HB1 MET 1 17.188 -14.502 -8.392 5 HG2 MET 1 HG2 MET 1 19.301 -15.701 -8.588 6 HG3 MET 1 HG1 MET 1 18.507 -16.963 -9.527 7 HE1 MET 1 HE1 MET 1 19.030 -12.611 -10.972 8 HE2 MET 1 HE2 MET 1 19.589 -13.207 -9.409 9 HE3 MET 1 HE3 MET 1 17.861 -13.072 -9.735 10 H GLU 2 HN GLU 2 17.577 -14.255 -6.170 11 HA GLU 2 HA GLU 2 16.663 -12.735 -4.762 12 HB2 GLU 2 HB2 GLU 2 14.003 -13.611 -5.885 13 HB3 GLU 2 HB1 GLU 2 14.390 -12.062 -5.146 14 HG2 GLU 2 HG2 GLU 2 15.860 -11.515 -6.986 15 HG3 GLU 2 HG1 GLU 2 15.576 -13.098 -7.713 16 H LEU 3 HN LEU 3 14.889 -12.464 -2.993 17 HA LEU 3 HA LEU 3 14.193 -13.128 -0.932 18 HB2 LEU 3 HB2 LEU 3 12.512 -14.259 -2.362 19 HB3 LEU 3 HB1 LEU 3 13.521 -15.693 -2.375 20 HG LEU 3 HG LEU 3 13.273 -15.802 0.119 21 HD11 LEU 3 HD11 LEU 3 11.177 -13.691 -0.371 22 HD12 LEU 3 HD12 LEU 3 12.692 -13.462 0.502 23 HD13 LEU 3 HD13 LEU 3 11.458 -14.542 1.147 24 HD21 LEU 3 HD21 LEU 3 11.938 -17.187 -1.402 25 HD22 LEU 3 HD22 LEU 3 10.717 -15.917 -1.476 26 HD23 LEU 3 HD23 LEU 3 11.036 -16.745 0.048 27 H SER 4 HN SER 4 16.513 -13.092 -0.351 28 HA SER 4 HA SER 4 17.224 -15.550 0.972 29 HB2 SER 4 HB2 SER 4 18.200 -15.955 -1.240 30 HB3 SER 4 HB1 SER 4 19.054 -14.414 -1.157 31 HG SER 4 HG SER 4 19.759 -15.597 1.010 32 H ALA 5 HN ALA 5 18.614 -12.445 -0.084 33 HA ALA 5 HA ALA 5 19.585 -12.029 2.662 34 HB1 ALA 5 HB1 ALA 5 20.500 -10.714 0.109 35 HB2 ALA 5 HB2 ALA 5 21.324 -12.037 0.937 36 HB3 ALA 5 HB3 ALA 5 21.187 -10.458 1.714 37 H ILE 6 HN ILE 6 17.525 -10.807 0.177 38 HA ILE 6 HA ILE 6 17.192 -8.158 0.928 39 HB ILE 6 HB ILE 6 14.994 -9.959 -0.090 40 HG12 ILE 6 HG12 ILE 6 16.983 -8.329 -1.688 41 HG13 ILE 6 HG11 ILE 6 17.077 -10.074 -1.467 42 HG21 ILE 6 HG21 ILE 6 14.248 -7.770 0.739 43 HG22 ILE 6 HG22 ILE 6 14.056 -7.908 -1.010 44 HG23 ILE 6 HG23 ILE 6 15.398 -6.979 -0.342 45 HD11 ILE 6 HD11 ILE 6 14.878 -8.561 -2.856 46 HD12 ILE 6 HD12 ILE 6 14.899 -10.303 -2.584 47 HD13 ILE 6 HD13 ILE 6 16.120 -9.556 -3.615 48 H GLY 7 HN GLY 7 16.428 -7.229 2.683 49 HA2 GLY 7 HA2 GLY 7 14.645 -8.798 4.441 50 HA3 GLY 7 HA1 GLY 7 15.856 -7.679 5.047 51 H GLU 8 HN GLU 8 12.733 -7.997 3.540 52 HA GLU 8 HA GLU 8 12.044 -5.420 2.908 53 HB2 GLU 8 HB2 GLU 8 10.098 -7.043 4.478 54 HB3 GLU 8 HB1 GLU 8 9.820 -6.041 3.061 55 HG2 GLU 8 HG2 GLU 8 10.682 -7.656 1.596 56 HG3 GLU 8 HG1 GLU 8 11.406 -8.575 2.913 57 H GLN 9 HN GLN 9 11.788 -3.561 3.989 58 HA GLN 9 HA GLN 9 11.169 -3.711 6.807 59 HB2 GLN 9 HB2 GLN 9 12.987 -2.103 7.389 60 HB3 GLN 9 HB1 GLN 9 13.561 -3.682 6.876 61 HG2 GLN 9 HG2 GLN 9 14.077 -2.793 4.671 62 HG3 GLN 9 HG1 GLN 9 13.493 -1.208 5.169 63 HE21 GLN 9 HE21 GLN 9 15.472 -0.230 4.802 64 HE22 GLN 9 HE22 GLN 9 16.836 -0.485 5.831 65 H VAL 10 HN VAL 10 12.123 -1.280 4.343 66 HA VAL 10 HA VAL 10 9.548 0.015 4.524 67 HB VAL 10 HB VAL 10 12.017 1.426 5.538 68 HG11 VAL 10 HG11 VAL 10 10.171 3.244 5.990 69 HG12 VAL 10 HG12 VAL 10 9.388 2.472 4.610 70 HG13 VAL 10 HG13 VAL 10 11.003 3.162 4.437 71 HG21 VAL 10 HG21 VAL 10 9.640 0.233 6.785 72 HG22 VAL 10 HG22 VAL 10 10.146 1.802 7.425 73 HG23 VAL 10 HG23 VAL 10 11.273 0.441 7.429 74 H PHE 11 HN PHE 11 9.347 1.833 3.023 75 HA PHE 11 HA PHE 11 11.467 2.234 1.097 76 HB2 PHE 11 HB2 PHE 11 9.773 0.194 0.544 77 HB3 PHE 11 HB1 PHE 11 8.889 1.531 -0.182 78 HD1 PHE 11 HD2 PHE 11 10.708 3.205 -1.474 79 HD2 PHE 11 HD1 PHE 11 10.970 -1.006 -0.963 80 HE1 PHE 11 HE2 PHE 11 12.149 3.059 -3.461 81 HE2 PHE 11 HE1 PHE 11 12.413 -1.164 -2.948 82 HZ PHE 11 HZ PHE 11 13.005 0.871 -4.201 83 H ALA 12 HN ALA 12 9.014 3.065 -0.714 84 HA ALA 12 HA ALA 12 8.057 5.420 0.684 85 HB1 ALA 12 HB1 ALA 12 8.854 6.915 -1.179 86 HB2 ALA 12 HB2 ALA 12 9.889 5.590 -1.700 87 HB3 ALA 12 HB3 ALA 12 10.114 6.311 -0.107 88 H VAL 13 HN VAL 13 5.927 5.244 0.289 89 HA VAL 13 HA VAL 13 5.056 4.259 -2.337 90 HB VAL 13 HB VAL 13 3.149 4.687 -0.079 91 HG11 VAL 13 HG11 VAL 13 2.436 2.392 -1.223 92 HG12 VAL 13 HG12 VAL 13 3.288 3.126 -2.583 93 HG13 VAL 13 HG13 VAL 13 1.928 3.966 -1.836 94 HG21 VAL 13 HG21 VAL 13 3.580 2.312 0.579 95 HG22 VAL 13 HG22 VAL 13 4.803 3.479 1.077 96 HG23 VAL 13 HG23 VAL 13 5.099 2.425 -0.300 97 H GLU 14 HN GLU 14 4.117 5.536 -3.761 98 HA GLU 14 HA GLU 14 3.657 8.292 -3.335 99 HB2 GLU 14 HB2 GLU 14 2.977 6.319 -5.487 100 HB3 GLU 14 HB1 GLU 14 2.144 7.868 -5.483 101 HG2 GLU 14 HG2 GLU 14 5.133 7.638 -5.423 102 HG3 GLU 14 HG1 GLU 14 4.207 7.704 -6.920 103 H SER 15 HN SER 15 1.636 5.430 -3.479 104 HA SER 15 HA SER 15 -0.102 5.878 -1.454 105 HB2 SER 15 HB2 SER 15 -0.906 7.945 -2.306 106 HB3 SER 15 HB1 SER 15 -1.065 7.299 -3.939 107 HG SER 15 HG SER 15 -2.909 7.394 -2.078 108 H ILE 16 HN ILE 16 -1.993 4.494 -1.497 109 HA ILE 16 HA ILE 16 -1.499 2.053 -2.812 110 HB ILE 16 HB ILE 16 -4.156 2.888 -1.659 111 HG12 ILE 16 HG12 ILE 16 -1.738 1.755 -0.236 112 HG13 ILE 16 HG11 ILE 16 -2.396 3.376 -0.030 113 HG21 ILE 16 HG21 ILE 16 -4.381 0.491 -1.168 114 HG22 ILE 16 HG22 ILE 16 -2.821 0.195 -1.945 115 HG23 ILE 16 HG23 ILE 16 -4.180 0.790 -2.898 116 HD11 ILE 16 HD11 ILE 16 -2.952 1.597 1.705 117 HD12 ILE 16 HD12 ILE 16 -4.068 0.960 0.511 118 HD13 ILE 16 HD13 ILE 16 -4.258 2.607 1.110 119 H ARG 17 HN ARG 17 -2.874 0.947 -4.312 120 HA ARG 17 HA ARG 17 -4.266 2.728 -6.197 121 HB2 ARG 17 HB2 ARG 17 -2.168 0.697 -6.647 122 HB3 ARG 17 HB1 ARG 17 -3.507 0.671 -7.782 123 HG2 ARG 17 HG2 ARG 17 -3.098 3.104 -8.155 124 HG3 ARG 17 HG1 ARG 17 -1.622 2.936 -7.207 125 HD2 ARG 17 HD2 ARG 17 -0.825 1.231 -8.770 126 HD3 ARG 17 HD1 ARG 17 -2.302 1.405 -9.716 127 HE ARG 17 HE ARG 17 -0.259 3.509 -9.413 128 HH11 ARG 17 HH11 ARG 17 -2.799 1.940 -11.209 129 HH12 ARG 17 HH12 ARG 17 -2.608 2.945 -12.608 130 HH21 ARG 17 HH21 ARG 17 -0.002 4.840 -11.251 131 HH22 ARG 17 HH22 ARG 17 -1.019 4.590 -12.631 132 H LYS 18 HN LYS 18 -3.952 -0.556 -4.924 133 HA LYS 18 HA LYS 18 -6.828 -0.922 -5.338 134 HB2 LYS 18 HB2 LYS 18 -4.790 -3.021 -6.017 135 HB3 LYS 18 HB1 LYS 18 -6.525 -3.115 -6.238 136 HG2 LYS 18 HG2 LYS 18 -6.519 -1.624 -8.010 137 HG3 LYS 18 HG1 LYS 18 -4.935 -0.978 -7.577 138 HD2 LYS 18 HD2 LYS 18 -3.891 -3.062 -8.215 139 HD3 LYS 18 HD1 LYS 18 -5.461 -3.751 -8.591 140 HE2 LYS 18 HE2 LYS 18 -5.790 -2.239 -10.395 141 HE3 LYS 18 HE1 LYS 18 -4.383 -1.297 -9.919 142 HZ1 LYS 18 HZ1 LYS 18 -2.979 -3.192 -10.472 143 HZ2 LYS 18 HZ2 LYS 18 -3.886 -2.700 -11.812 144 HZ3 LYS 18 HZ3 LYS 18 -4.338 -4.082 -10.947 145 H LYS 19 HN LYS 19 -7.553 -3.027 -4.253 146 HA LYS 19 HA LYS 19 -5.995 -3.750 -1.898 147 HB2 LYS 19 HB2 LYS 19 -7.318 -2.020 -0.942 148 HB3 LYS 19 HB1 LYS 19 -8.762 -2.565 -1.776 149 HG2 LYS 19 HG2 LYS 19 -8.671 -4.652 -0.432 150 HG3 LYS 19 HG1 LYS 19 -7.323 -3.959 0.467 151 HD2 LYS 19 HD2 LYS 19 -8.785 -2.086 1.128 152 HD3 LYS 19 HD1 LYS 19 -10.129 -2.871 0.296 153 HE2 LYS 19 HE2 LYS 19 -9.578 -4.896 1.762 154 HE3 LYS 19 HE1 LYS 19 -8.645 -3.778 2.740 155 HZ1 LYS 19 HZ1 LYS 19 -10.894 -4.051 3.589 156 HZ2 LYS 19 HZ2 LYS 19 -11.536 -3.512 2.120 157 HZ3 LYS 19 HZ3 LYS 19 -10.632 -2.457 3.084 158 H ARG 20 HN ARG 20 -6.228 -5.856 -1.376 159 HA ARG 20 HA ARG 20 -8.516 -7.332 -2.430 160 HB2 ARG 20 HB2 ARG 20 -7.347 -8.610 -3.863 161 HB3 ARG 20 HB1 ARG 20 -6.103 -7.372 -3.750 162 HG2 ARG 20 HG2 ARG 20 -5.346 -8.823 -1.685 163 HG3 ARG 20 HG1 ARG 20 -6.201 -10.081 -2.547 164 HD2 ARG 20 HD2 ARG 20 -4.862 -9.605 -4.553 165 HD3 ARG 20 HD1 ARG 20 -3.963 -8.393 -3.642 166 HE ARG 20 HE ARG 20 -3.604 -10.568 -2.135 167 HH11 ARG 20 HH11 ARG 20 -3.314 -10.086 -5.574 168 HH12 ARG 20 HH12 ARG 20 -2.091 -11.297 -5.770 169 HH21 ARG 20 HH21 ARG 20 -1.993 -12.161 -2.384 170 HH22 ARG 20 HH22 ARG 20 -1.340 -12.476 -3.957 171 H VAL 21 HN VAL 21 -9.133 -9.064 -1.169 172 HA VAL 21 HA VAL 21 -7.534 -9.531 1.253 173 HB VAL 21 HB VAL 21 -10.532 -9.195 1.113 174 HG11 VAL 21 HG11 VAL 21 -8.860 -9.932 3.515 175 HG12 VAL 21 HG12 VAL 21 -9.850 -11.076 2.600 176 HG13 VAL 21 HG13 VAL 21 -10.614 -9.736 3.455 177 HG21 VAL 21 HG21 VAL 21 -8.627 -7.738 2.903 178 HG22 VAL 21 HG22 VAL 21 -10.246 -7.264 2.376 179 HG23 VAL 21 HG23 VAL 21 -8.896 -7.197 1.242 180 H ARG 22 HN ARG 22 -7.693 -11.619 2.186 181 HA ARG 22 HA ARG 22 -8.997 -13.686 0.555 182 HB2 ARG 22 HB2 ARG 22 -6.509 -13.492 0.066 183 HB3 ARG 22 HB1 ARG 22 -6.238 -14.015 1.722 184 HG2 ARG 22 HG2 ARG 22 -7.501 -16.080 1.242 185 HG3 ARG 22 HG1 ARG 22 -7.643 -15.560 -0.434 186 HD2 ARG 22 HD2 ARG 22 -5.278 -15.634 -0.733 187 HD3 ARG 22 HD1 ARG 22 -5.033 -15.914 0.985 188 HE ARG 22 HE ARG 22 -6.591 -17.914 -0.422 189 HH11 ARG 22 HH11 ARG 22 -3.481 -16.947 0.815 190 HH12 ARG 22 HH12 ARG 22 -2.838 -18.555 0.813 191 HH21 ARG 22 HH21 ARG 22 -5.750 -20.034 -0.429 192 HH22 ARG 22 HH22 ARG 22 -4.126 -20.307 0.105 193 H LYS 23 HN LYS 23 -10.591 -14.134 2.031 194 HA LYS 23 HA LYS 23 -11.570 -14.977 3.904 195 HB2 LYS 23 HB2 LYS 23 -8.804 -16.097 4.267 196 HB3 LYS 23 HB1 LYS 23 -10.141 -16.487 5.340 197 HG2 LYS 23 HG2 LYS 23 -11.275 -17.674 3.706 198 HG3 LYS 23 HG1 LYS 23 -10.405 -16.883 2.395 199 HD2 LYS 23 HD2 LYS 23 -9.602 -19.131 2.574 200 HD3 LYS 23 HD1 LYS 23 -8.341 -18.039 3.151 201 HE2 LYS 23 HE2 LYS 23 -8.454 -19.860 4.680 202 HE3 LYS 23 HE1 LYS 23 -9.162 -18.451 5.468 203 HZ1 LYS 23 HZ1 LYS 23 -11.356 -19.290 4.962 204 HZ2 LYS 23 HZ2 LYS 23 -10.482 -20.451 5.827 205 HZ3 LYS 23 HZ3 LYS 23 -10.700 -20.626 4.159 206 H GLY 24 HN GLY 24 -9.493 -12.554 3.872 207 HA2 GLY 24 HA2 GLY 24 -10.175 -10.907 5.705 208 HA3 GLY 24 HA1 GLY 24 -9.467 -12.109 6.771 209 H LYS 25 HN LYS 25 -7.447 -12.696 4.595 210 HA LYS 25 HA LYS 25 -5.414 -10.966 5.515 211 HB2 LYS 25 HB2 LYS 25 -5.442 -12.778 3.104 212 HB3 LYS 25 HB1 LYS 25 -4.010 -12.066 3.825 213 HG2 LYS 25 HG2 LYS 25 -4.318 -13.346 5.831 214 HG3 LYS 25 HG1 LYS 25 -5.863 -13.957 5.245 215 HD2 LYS 25 HD2 LYS 25 -4.261 -15.674 4.882 216 HD3 LYS 25 HD1 LYS 25 -4.627 -14.952 3.312 217 HE2 LYS 25 HE2 LYS 25 -2.606 -13.604 3.449 218 HE3 LYS 25 HE1 LYS 25 -2.239 -14.293 5.029 219 HZ1 LYS 25 HZ1 LYS 25 -1.955 -16.439 4.041 220 HZ2 LYS 25 HZ2 LYS 25 -0.999 -15.336 3.187 221 HZ3 LYS 25 HZ3 LYS 25 -2.459 -15.876 2.526 222 H VAL 26 HN VAL 26 -5.584 -8.838 5.068 223 HA VAL 26 HA VAL 26 -6.589 -7.926 2.523 224 HB VAL 26 HB VAL 26 -5.426 -6.303 4.779 225 HG11 VAL 26 HG11 VAL 26 -7.228 -5.477 2.507 226 HG12 VAL 26 HG12 VAL 26 -5.498 -5.149 2.597 227 HG13 VAL 26 HG13 VAL 26 -6.595 -4.430 3.775 228 HG21 VAL 26 HG21 VAL 26 -8.331 -6.523 4.247 229 HG22 VAL 26 HG22 VAL 26 -7.494 -6.147 5.752 230 HG23 VAL 26 HG23 VAL 26 -7.534 -7.807 5.153 231 H GLU 27 HN GLU 27 -5.506 -6.648 1.062 232 HA GLU 27 HA GLU 27 -2.605 -6.407 1.212 233 HB2 GLU 27 HB2 GLU 27 -4.150 -7.765 -0.984 234 HB3 GLU 27 HB1 GLU 27 -2.527 -7.174 -1.215 235 HG2 GLU 27 HG2 GLU 27 -2.673 -8.785 1.149 236 HG3 GLU 27 HG1 GLU 27 -3.314 -9.661 -0.237 237 H TYR 28 HN TYR 28 -1.807 -4.828 -0.412 238 HA TYR 28 HA TYR 28 -3.887 -3.089 -1.499 239 HB2 TYR 28 HB2 TYR 28 -1.810 -2.300 0.518 240 HB3 TYR 28 HB1 TYR 28 -2.566 -1.113 -0.526 241 HD1 TYR 28 HD1 TYR 28 -5.271 -1.348 -0.537 242 HD2 TYR 28 HD2 TYR 28 -2.698 -2.543 2.635 243 HE1 TYR 28 HE1 TYR 28 -7.132 -1.176 1.043 244 HE2 TYR 28 HE2 TYR 28 -4.559 -2.356 4.217 245 HH TYR 28 HH TYR 28 -6.711 -1.190 4.404 246 H LEU 29 HN LEU 29 -3.379 -2.946 -3.612 247 HA LEU 29 HA LEU 29 -0.767 -3.303 -4.639 248 HB2 LEU 29 HB2 LEU 29 -3.021 -3.524 -5.882 249 HB3 LEU 29 HB1 LEU 29 -2.966 -1.783 -6.035 250 HG LEU 29 HG LEU 29 -2.159 -3.222 -8.009 251 HD11 LEU 29 HD11 LEU 29 -1.930 -0.794 -7.758 252 HD12 LEU 29 HD12 LEU 29 -0.619 -1.531 -8.673 253 HD13 LEU 29 HD13 LEU 29 -0.363 -1.043 -6.996 254 HD21 LEU 29 HD21 LEU 29 0.312 -3.290 -6.309 255 HD22 LEU 29 HD22 LEU 29 0.169 -3.859 -7.971 256 HD23 LEU 29 HD23 LEU 29 -0.696 -4.688 -6.674 257 H VAL 30 HN VAL 30 0.580 -1.940 -3.497 258 HA VAL 30 HA VAL 30 0.077 0.875 -3.305 259 HB VAL 30 HB VAL 30 2.492 0.861 -2.416 260 HG11 VAL 30 HG11 VAL 30 1.747 0.004 -0.243 261 HG12 VAL 30 HG12 VAL 30 0.341 -0.726 -1.017 262 HG13 VAL 30 HG13 VAL 30 0.521 1.027 -0.991 263 HG21 VAL 30 HG21 VAL 30 3.269 -1.335 -1.630 264 HG22 VAL 30 HG22 VAL 30 3.195 -1.245 -3.389 265 HG23 VAL 30 HG23 VAL 30 1.938 -2.100 -2.497 266 H LYS 31 HN LYS 31 0.843 2.503 -4.469 267 HA LYS 31 HA LYS 31 2.429 1.903 -6.850 268 HB2 LYS 31 HB2 LYS 31 0.347 3.218 -7.123 269 HB3 LYS 31 HB1 LYS 31 0.985 4.441 -6.033 270 HG2 LYS 31 HG2 LYS 31 2.824 4.858 -7.618 271 HG3 LYS 31 HG1 LYS 31 2.106 3.685 -8.724 272 HD2 LYS 31 HD2 LYS 31 0.066 5.050 -8.825 273 HD3 LYS 31 HD1 LYS 31 0.809 6.228 -7.742 274 HE2 LYS 31 HE2 LYS 31 1.790 5.457 -10.489 275 HE3 LYS 31 HE1 LYS 31 0.969 6.957 -10.059 276 HZ1 LYS 31 HZ1 LYS 31 3.357 7.267 -10.194 277 HZ2 LYS 31 HZ2 LYS 31 3.608 6.073 -9.023 278 HZ3 LYS 31 HZ3 LYS 31 2.821 7.511 -8.607 279 H TRP 32 HN TRP 32 4.538 2.040 -6.598 280 HA TRP 32 HA TRP 32 5.744 3.414 -4.389 281 HB2 TRP 32 HB2 TRP 32 6.976 1.964 -6.739 282 HB3 TRP 32 HB1 TRP 32 7.840 2.488 -5.299 283 HD1 TRP 32 HD1 TRP 32 6.067 -0.433 -6.654 284 HE1 TRP 32 HE1 TRP 32 5.570 -2.144 -4.797 285 HE3 TRP 32 HE3 TRP 32 7.087 2.468 -2.591 286 HZ2 TRP 32 HZ2 TRP 32 5.606 -2.244 -1.976 287 HZ3 TRP 32 HZ3 TRP 32 6.831 1.498 -0.346 288 HH2 TRP 32 HH2 TRP 32 6.101 -0.807 -0.047 289 H LYS 33 HN LYS 33 7.156 5.118 -4.400 290 HA LYS 33 HA LYS 33 6.653 7.222 -6.217 291 HB2 LYS 33 HB2 LYS 33 8.030 6.860 -3.736 292 HB3 LYS 33 HB1 LYS 33 9.080 7.727 -4.848 293 HG2 LYS 33 HG2 LYS 33 6.610 8.947 -5.145 294 HG3 LYS 33 HG1 LYS 33 6.753 8.646 -3.414 295 HD2 LYS 33 HD2 LYS 33 8.838 10.000 -5.110 296 HD3 LYS 33 HD1 LYS 33 7.664 10.843 -4.099 297 HE2 LYS 33 HE2 LYS 33 9.634 8.815 -3.067 298 HE3 LYS 33 HE1 LYS 33 9.928 10.553 -3.065 299 HZ1 LYS 33 HZ1 LYS 33 7.941 10.818 -1.681 300 HZ2 LYS 33 HZ2 LYS 33 9.102 9.843 -0.931 301 HZ3 LYS 33 HZ3 LYS 33 7.738 9.139 -1.642 302 H GLY 34 HN GLY 34 7.743 7.981 -7.943 303 HA2 GLY 34 HA2 GLY 34 9.255 8.077 -9.664 304 HA3 GLY 34 HA1 GLY 34 10.427 7.361 -8.569 305 H TRP 35 HN TRP 35 7.983 5.220 -8.514 306 HA TRP 35 HA TRP 35 9.209 3.646 -10.666 307 HB2 TRP 35 HB2 TRP 35 7.800 2.855 -8.137 308 HB3 TRP 35 HB1 TRP 35 8.029 1.709 -9.446 309 HD1 TRP 35 HD1 TRP 35 9.848 3.372 -6.589 310 HE1 TRP 35 HE1 TRP 35 12.232 2.417 -6.424 311 HE3 TRP 35 HE3 TRP 35 9.974 0.738 -10.973 312 HZ2 TRP 35 HZ2 TRP 35 13.941 0.765 -7.949 313 HZ3 TRP 35 HZ3 TRP 35 12.022 -0.503 -11.543 314 HH2 TRP 35 HH2 TRP 35 13.962 -0.489 -10.062 315 HA PRO 36 HA PRO 36 5.471 3.774 -12.994 316 HB2 PRO 36 HB2 PRO 36 6.150 1.219 -14.197 317 HB3 PRO 36 HB1 PRO 36 6.179 2.823 -14.922 318 HG2 PRO 36 HG2 PRO 36 8.420 1.397 -14.384 319 HG3 PRO 36 HG1 PRO 36 8.368 3.164 -14.378 320 HD2 PRO 36 HD2 PRO 36 8.292 1.256 -12.079 321 HD3 PRO 36 HD1 PRO 36 9.153 2.794 -12.238 322 HA PRO 37 HA PRO 37 2.409 1.192 -11.092 323 HB2 PRO 37 HB2 PRO 37 0.753 0.639 -13.220 324 HB3 PRO 37 HB1 PRO 37 0.726 2.154 -12.311 325 HG2 PRO 37 HG2 PRO 37 2.036 1.533 -14.927 326 HG3 PRO 37 HG1 PRO 37 1.151 2.989 -14.432 327 HD2 PRO 37 HD2 PRO 37 3.836 2.925 -14.510 328 HD3 PRO 37 HD1 PRO 37 2.960 3.846 -13.270 329 H LYS 38 HN LYS 38 4.247 0.151 -13.790 330 HA LYS 38 HA LYS 38 3.354 -2.541 -13.946 331 HB2 LYS 38 HB2 LYS 38 5.928 -1.225 -14.821 332 HB3 LYS 38 HB1 LYS 38 5.483 -2.882 -15.213 333 HG2 LYS 38 HG2 LYS 38 3.781 -2.223 -16.643 334 HG3 LYS 38 HG1 LYS 38 3.671 -0.615 -15.926 335 HD2 LYS 38 HD2 LYS 38 6.079 -1.589 -17.441 336 HD3 LYS 38 HD1 LYS 38 4.746 -0.715 -18.199 337 HE2 LYS 38 HE2 LYS 38 5.127 1.176 -16.708 338 HE3 LYS 38 HE1 LYS 38 6.436 0.303 -15.915 339 HZ1 LYS 38 HZ1 LYS 38 7.653 0.294 -17.998 340 HZ2 LYS 38 HZ2 LYS 38 7.272 1.879 -17.544 341 HZ3 LYS 38 HZ3 LYS 38 6.392 1.117 -18.772 342 H TYR 39 HN TYR 39 5.558 -0.850 -11.893 343 HA TYR 39 HA TYR 39 6.645 -3.368 -10.870 344 HB2 TYR 39 HB2 TYR 39 7.532 -0.505 -10.572 345 HB3 TYR 39 HB1 TYR 39 8.213 -1.810 -9.618 346 HD1 TYR 39 HD1 TYR 39 7.980 -0.330 -12.927 347 HD2 TYR 39 HD2 TYR 39 9.659 -3.486 -10.635 348 HE1 TYR 39 HE1 TYR 39 9.550 -0.803 -14.746 349 HE2 TYR 39 HE2 TYR 39 11.244 -3.973 -12.453 350 HH TYR 39 HH TYR 39 11.733 -1.863 -15.077 351 H SER 40 HN SER 40 3.994 -1.665 -10.279 352 HA SER 40 HA SER 40 3.943 -1.045 -7.570 353 HB2 SER 40 HB2 SER 40 1.679 -2.404 -9.049 354 HB3 SER 40 HB1 SER 40 1.547 -1.331 -7.659 355 HG SER 40 HG SER 40 1.107 -0.066 -9.385 356 H THR 41 HN THR 41 3.062 -2.321 -5.750 357 HA THR 41 HA THR 41 3.363 -5.213 -6.143 358 HB THR 41 HB THR 41 4.712 -5.493 -4.162 359 HG1 THR 41 HG1 THR 41 4.402 -2.678 -3.911 360 HG21 THR 41 HG21 THR 41 5.826 -4.937 -6.344 361 HG22 THR 41 HG22 THR 41 6.782 -4.560 -4.912 362 HG23 THR 41 HG23 THR 41 5.951 -3.272 -5.783 363 H TRP 42 HN TRP 42 2.423 -6.522 -4.485 364 HA TRP 42 HA TRP 42 0.093 -5.235 -3.278 365 HB2 TRP 42 HB2 TRP 42 0.767 -8.083 -3.969 366 HB3 TRP 42 HB1 TRP 42 -0.560 -7.700 -2.877 367 HD1 TRP 42 HD1 TRP 42 0.307 -7.888 -6.517 368 HE1 TRP 42 HE1 TRP 42 -1.739 -7.207 -7.926 369 HE3 TRP 42 HE3 TRP 42 -2.624 -5.953 -2.802 370 HZ2 TRP 42 HZ2 TRP 42 -4.263 -6.001 -7.508 371 HZ3 TRP 42 HZ3 TRP 42 -4.839 -5.061 -3.393 372 HH2 TRP 42 HH2 TRP 42 -5.631 -5.081 -5.706 373 H GLU 43 HN GLU 43 0.707 -4.384 -1.369 374 HA GLU 43 HA GLU 43 2.257 -6.067 0.456 375 HB2 GLU 43 HB2 GLU 43 1.687 -3.102 0.549 376 HB3 GLU 43 HB1 GLU 43 2.640 -3.980 1.737 377 HG2 GLU 43 HG2 GLU 43 3.301 -3.598 -1.174 378 HG3 GLU 43 HG1 GLU 43 4.093 -2.831 0.202 379 HA PRO 44 HA PRO 44 -1.537 -7.031 2.623 380 HB2 PRO 44 HB2 PRO 44 0.390 -7.481 4.848 381 HB3 PRO 44 HB1 PRO 44 -0.879 -8.542 4.227 382 HG2 PRO 44 HG2 PRO 44 1.684 -9.020 3.687 383 HG3 PRO 44 HG1 PRO 44 0.425 -9.293 2.471 384 HD2 PRO 44 HD2 PRO 44 2.403 -7.072 2.686 385 HD3 PRO 44 HD1 PRO 44 1.751 -7.866 1.239 386 H GLU 45 HN GLU 45 -2.816 -6.038 4.111 387 HA GLU 45 HA GLU 45 -2.416 -3.356 4.704 388 HB2 GLU 45 HB2 GLU 45 -4.600 -4.427 4.678 389 HB3 GLU 45 HB1 GLU 45 -4.175 -5.403 6.072 390 HG2 GLU 45 HG2 GLU 45 -4.125 -2.427 6.250 391 HG3 GLU 45 HG1 GLU 45 -5.653 -3.286 6.334 392 H GLU 46 HN GLU 46 -1.098 -6.131 6.141 393 HA GLU 46 HA GLU 46 -0.558 -4.969 8.728 394 HB2 GLU 46 HB2 GLU 46 0.436 -7.514 7.426 395 HB3 GLU 46 HB1 GLU 46 0.740 -7.054 9.098 396 HG2 GLU 46 HG2 GLU 46 -1.661 -7.106 9.547 397 HG3 GLU 46 HG1 GLU 46 -1.960 -7.575 7.875 398 H HIS 47 HN HIS 47 1.140 -5.534 5.700 399 HA HIS 47 HA HIS 47 3.716 -4.754 6.671 400 HB2 HIS 47 HB2 HIS 47 2.566 -5.206 3.933 401 HB3 HIS 47 HB1 HIS 47 4.170 -4.523 4.134 402 HD1 HIS 47 HD1 HIS 47 2.261 -7.608 5.301 403 HD2 HIS 47 HD2 HIS 47 6.088 -6.378 4.278 404 HE1 HIS 47 HE1 HIS 47 3.678 -9.684 5.402 405 HE2 HIS 47 HE2 HIS 47 6.013 -8.898 4.870 406 H ILE 48 HN ILE 48 1.021 -3.076 5.130 407 HA ILE 48 HA ILE 48 2.297 -0.704 4.415 408 HB ILE 48 HB ILE 48 -0.477 -0.822 5.611 409 HG12 ILE 48 HG12 ILE 48 -0.106 -2.514 3.765 410 HG13 ILE 48 HG11 ILE 48 -1.372 -1.334 3.461 411 HG21 ILE 48 HG21 ILE 48 -0.773 1.066 3.885 412 HG22 ILE 48 HG22 ILE 48 0.989 1.125 3.874 413 HG23 ILE 48 HG23 ILE 48 0.106 1.413 5.373 414 HD11 ILE 48 HD11 ILE 48 -0.250 -0.362 1.759 415 HD12 ILE 48 HD12 ILE 48 0.426 -1.988 1.641 416 HD13 ILE 48 HD13 ILE 48 1.337 -0.712 2.450 417 H LEU 49 HN LEU 49 3.687 0.245 5.694 418 HA LEU 49 HA LEU 49 3.490 0.248 8.547 419 HB2 LEU 49 HB2 LEU 49 5.334 1.939 6.904 420 HB3 LEU 49 HB1 LEU 49 5.593 1.327 8.517 421 HG LEU 49 HG LEU 49 5.359 -0.533 6.186 422 HD11 LEU 49 HD11 LEU 49 7.012 1.035 5.532 423 HD12 LEU 49 HD12 LEU 49 7.806 -0.461 6.013 424 HD13 LEU 49 HD13 LEU 49 7.809 0.932 7.097 425 HD21 LEU 49 HD21 LEU 49 5.250 -1.471 8.399 426 HD22 LEU 49 HD22 LEU 49 6.764 -0.690 8.839 427 HD23 LEU 49 HD23 LEU 49 6.742 -1.951 7.604 428 H ASP 50 HN ASP 50 1.769 1.968 6.384 429 HA ASP 50 HA ASP 50 1.464 4.186 8.268 430 HB2 ASP 50 HB2 ASP 50 2.873 4.515 5.938 431 HB3 ASP 50 HB1 ASP 50 1.253 5.024 5.465 432 HA PRO 51 HA PRO 51 -2.774 2.784 7.431 433 HB2 PRO 51 HB2 PRO 51 -3.371 4.727 9.552 434 HB3 PRO 51 HB1 PRO 51 -3.745 3.007 9.480 435 HG2 PRO 51 HG2 PRO 51 -1.880 3.947 11.147 436 HG3 PRO 51 HG1 PRO 51 -1.671 2.395 10.317 437 HD2 PRO 51 HD2 PRO 51 -0.483 5.062 9.657 438 HD3 PRO 51 HD1 PRO 51 0.275 3.458 9.673 439 H ARG 52 HN ARG 52 -1.388 5.981 7.469 440 HA ARG 52 HA ARG 52 -3.633 7.458 6.647 441 HB2 ARG 52 HB2 ARG 52 -0.675 7.834 6.385 442 HB3 ARG 52 HB1 ARG 52 -1.743 8.874 5.457 443 HG2 ARG 52 HG2 ARG 52 -1.167 9.971 7.506 444 HG3 ARG 52 HG1 ARG 52 -2.872 9.524 7.557 445 HD2 ARG 52 HD2 ARG 52 -1.952 9.001 9.679 446 HD3 ARG 52 HD1 ARG 52 -2.202 7.481 8.824 447 HE ARG 52 HE ARG 52 0.407 8.280 8.321 448 HH11 ARG 52 HH11 ARG 52 -1.534 7.341 11.061 449 HH12 ARG 52 HH12 ARG 52 -0.197 6.680 11.943 450 HH21 ARG 52 HH21 ARG 52 2.169 7.411 9.474 451 HH22 ARG 52 HH22 ARG 52 1.907 6.718 11.040 452 H LEU 53 HN LEU 53 -1.365 5.425 4.962 453 HA LEU 53 HA LEU 53 -2.135 6.040 2.305 454 HB2 LEU 53 HB2 LEU 53 -0.812 3.682 3.629 455 HB3 LEU 53 HB1 LEU 53 -1.226 3.639 1.928 456 HG LEU 53 HG LEU 53 0.449 5.874 3.010 457 HD11 LEU 53 HD11 LEU 53 1.430 3.163 2.135 458 HD12 LEU 53 HD12 LEU 53 1.523 3.823 3.768 459 HD13 LEU 53 HD13 LEU 53 2.445 4.567 2.461 460 HD21 LEU 53 HD21 LEU 53 0.244 4.509 0.329 461 HD22 LEU 53 HD22 LEU 53 1.309 5.863 0.714 462 HD23 LEU 53 HD23 LEU 53 -0.441 6.079 0.754 463 H VAL 54 HN VAL 54 -3.038 3.487 4.574 464 HA VAL 54 HA VAL 54 -4.920 2.142 3.016 465 HB VAL 54 HB VAL 54 -4.651 2.468 6.003 466 HG11 VAL 54 HG11 VAL 54 -6.860 1.372 4.483 467 HG12 VAL 54 HG12 VAL 54 -6.749 1.738 6.202 468 HG13 VAL 54 HG13 VAL 54 -6.155 0.194 5.587 469 HG21 VAL 54 HG21 VAL 54 -3.907 0.357 4.013 470 HG22 VAL 54 HG22 VAL 54 -4.004 0.019 5.741 471 HG23 VAL 54 HG23 VAL 54 -2.861 1.221 5.139 472 H MET 55 HN MET 55 -5.501 4.551 5.555 473 HA MET 55 HA MET 55 -8.206 4.875 5.306 474 HB2 MET 55 HB2 MET 55 -6.759 5.967 7.010 475 HB3 MET 55 HB1 MET 55 -6.220 7.090 5.784 476 HG2 MET 55 HG2 MET 55 -7.946 8.012 7.261 477 HG3 MET 55 HG1 MET 55 -8.401 7.990 5.573 478 HE1 MET 55 HE1 MET 55 -8.203 4.773 7.452 479 HE2 MET 55 HE2 MET 55 -9.818 4.460 8.089 480 HE3 MET 55 HE3 MET 55 -8.779 5.660 8.863 481 H ALA 56 HN ALA 56 -5.754 6.932 3.785 482 HA ALA 56 HA ALA 56 -7.312 8.450 2.131 483 HB1 ALA 56 HB1 ALA 56 -4.729 8.393 2.502 484 HB2 ALA 56 HB2 ALA 56 -5.394 9.027 0.998 485 HB3 ALA 56 HB3 ALA 56 -4.740 7.389 1.054 486 H TYR 57 HN TYR 57 -6.149 5.158 1.562 487 HA TYR 57 HA TYR 57 -6.947 4.885 -1.099 488 HB2 TYR 57 HB2 TYR 57 -5.567 3.195 -0.016 489 HB3 TYR 57 HB1 TYR 57 -6.881 2.787 1.082 490 HD1 TYR 57 HD1 TYR 57 -5.869 2.759 -2.469 491 HD2 TYR 57 HD2 TYR 57 -8.522 1.225 0.462 492 HE1 TYR 57 HE1 TYR 57 -6.738 1.142 -4.113 493 HE2 TYR 57 HE2 TYR 57 -9.397 -0.401 -1.155 494 HH TYR 57 HH TYR 57 -7.886 -1.085 -4.076 495 H GLU 58 HN GLU 58 -8.691 4.027 1.869 496 HA GLU 58 HA GLU 58 -11.116 3.350 0.603 497 HB2 GLU 58 HB2 GLU 58 -10.850 4.361 3.390 498 HB3 GLU 58 HB1 GLU 58 -12.069 3.273 2.766 499 HG2 GLU 58 HG2 GLU 58 -9.156 2.555 2.859 500 HG3 GLU 58 HG1 GLU 58 -10.253 2.259 4.208 501 H GLU 59 HN GLU 59 -9.617 6.310 1.124 502 HA GLU 59 HA GLU 59 -12.029 7.890 1.339 503 HB2 GLU 59 HB2 GLU 59 -10.598 9.323 2.276 504 HB3 GLU 59 HB1 GLU 59 -9.244 8.287 1.845 505 HG2 GLU 59 HG2 GLU 59 -9.036 9.388 -0.289 506 HG3 GLU 59 HG1 GLU 59 -10.457 10.374 0.052 507 H LYS 60 HN LYS 60 -9.633 7.066 -1.104 508 HA LYS 60 HA LYS 60 -10.619 8.831 -3.102 509 HB2 LYS 60 HB2 LYS 60 -9.079 6.275 -3.534 510 HB3 LYS 60 HB1 LYS 60 -9.170 7.659 -4.612 511 HG2 LYS 60 HG2 LYS 60 -7.559 8.742 -3.538 512 HG3 LYS 60 HG1 LYS 60 -8.191 8.314 -1.949 513 HD2 LYS 60 HD2 LYS 60 -6.235 7.143 -1.913 514 HD3 LYS 60 HD1 LYS 60 -7.283 5.935 -2.634 515 HE2 LYS 60 HE2 LYS 60 -5.560 7.822 -4.177 516 HE3 LYS 60 HE1 LYS 60 -5.120 6.165 -3.797 517 HZ1 LYS 60 HZ1 LYS 60 -7.447 7.031 -5.429 518 HZ2 LYS 60 HZ2 LYS 60 -7.080 5.428 -5.031 519 HZ3 LYS 60 HZ3 LYS 60 -6.029 6.316 -6.015 520 H GLU 61 HN GLU 61 -11.157 5.442 -2.306 521 HA GLU 61 HA GLU 61 -12.793 4.882 -4.545 522 HB2 GLU 61 HB2 GLU 61 -13.328 2.807 -3.479 523 HB3 GLU 61 HB1 GLU 61 -11.627 3.154 -3.212 524 HG2 GLU 61 HG2 GLU 61 -12.223 4.052 -0.993 525 HG3 GLU 61 HG1 GLU 61 -13.872 3.491 -1.257 526 H GLU 62 HN GLU 62 -13.587 5.653 -1.178 527 HA GLU 62 HA GLU 62 -16.368 5.489 -1.456 528 HB2 GLU 62 HB2 GLU 62 -16.533 6.706 0.603 529 HB3 GLU 62 HB1 GLU 62 -15.150 5.625 0.713 530 HG2 GLU 62 HG2 GLU 62 -13.643 7.466 0.280 531 HG3 GLU 62 HG1 GLU 62 -15.012 8.556 0.072 532 H ARG 63 HN ARG 63 -14.149 8.154 -2.050 533 HA ARG 63 HA ARG 63 -16.082 10.158 -2.469 534 HB2 ARG 63 HB2 ARG 63 -13.588 10.415 -2.064 535 HB3 ARG 63 HB1 ARG 63 -13.432 10.105 -3.778 536 HG2 ARG 63 HG2 ARG 63 -14.491 12.070 -4.384 537 HG3 ARG 63 HG1 ARG 63 -15.246 12.253 -2.798 538 HD2 ARG 63 HD2 ARG 63 -13.485 13.852 -2.948 539 HD3 ARG 63 HD1 ARG 63 -12.980 12.576 -1.841 540 HE ARG 63 HE ARG 63 -11.998 11.834 -4.293 541 HH11 ARG 63 HH11 ARG 63 -11.666 14.602 -2.200 542 HH12 ARG 63 HH12 ARG 63 -10.056 14.965 -2.722 543 HH21 ARG 63 HH21 ARG 63 -9.876 12.303 -4.983 544 HH22 ARG 63 HH22 ARG 63 -9.036 13.657 -4.303 545 H ASP 64 HN ASP 64 -14.390 8.009 -4.707 546 HA ASP 64 HA ASP 64 -15.651 9.115 -7.024 547 HB2 ASP 64 HB2 ASP 64 -13.398 7.984 -6.988 548 HB3 ASP 64 HB1 ASP 64 -14.246 6.463 -6.800 549 H ARG 65 HN ARG 65 -15.811 5.891 -5.559 550 HA ARG 65 HA ARG 65 -17.899 4.843 -6.981 551 HB2 ARG 65 HB2 ARG 65 -17.309 4.368 -4.063 552 HB3 ARG 65 HB1 ARG 65 -18.272 3.322 -5.097 553 HG2 ARG 65 HG2 ARG 65 -16.240 3.026 -6.537 554 HG3 ARG 65 HG1 ARG 65 -15.327 3.887 -5.297 555 HD2 ARG 65 HD2 ARG 65 -16.045 2.221 -3.649 556 HD3 ARG 65 HD1 ARG 65 -16.865 1.326 -4.925 557 HE ARG 65 HE ARG 65 -14.258 1.616 -5.764 558 HH11 ARG 65 HH11 ARG 65 -15.893 0.184 -3.040 559 HH12 ARG 65 HH12 ARG 65 -14.683 -1.029 -2.788 560 HH21 ARG 65 HH21 ARG 65 -12.659 0.022 -5.438 561 HH22 ARG 65 HH22 ARG 65 -12.845 -1.121 -4.150 562 H ALA 66 HN ALA 66 -18.034 7.247 -4.479 563 HA ALA 66 HA ALA 66 -20.561 7.055 -3.459 564 HB1 ALA 66 HB1 ALA 66 -19.065 8.771 -2.709 565 HB2 ALA 66 HB2 ALA 66 -20.544 9.537 -3.288 566 HB3 ALA 66 HB3 ALA 66 -19.092 9.552 -4.290 567 H SER 67 HN SER 67 -19.704 8.757 -6.478 568 HA SER 67 HA SER 67 -22.177 7.984 -7.707 569 HB2 SER 67 HB2 SER 67 -22.977 9.868 -6.351 570 HB3 SER 67 HB1 SER 67 -21.743 10.911 -7.058 571 HG SER 67 HG SER 67 -24.084 10.713 -7.964 572 H GLY 68 HN GLY 68 -19.750 10.596 -7.954 573 HA2 GLY 68 HA2 GLY 68 -19.037 9.550 -10.611 574 HA3 GLY 68 HA1 GLY 68 -19.445 11.250 -10.434 575 H TYR 69 HN TYR 69 -17.099 10.878 -11.493 576 HA TYR 69 HA TYR 69 -14.946 10.472 -9.691 577 HB2 TYR 69 HB2 TYR 69 -13.547 10.914 -11.462 578 HB3 TYR 69 HB1 TYR 69 -14.990 10.387 -12.297 579 HD1 TYR 69 HD2 TYR 69 -16.699 12.489 -12.782 580 HD2 TYR 69 HD1 TYR 69 -12.506 12.644 -12.299 581 HE1 TYR 69 HE2 TYR 69 -16.648 14.592 -14.065 582 HE2 TYR 69 HE1 TYR 69 -12.409 14.752 -13.576 583 HH TYR 69 HH TYR 69 -13.804 15.923 -15.289 584 H ARG 70 HN ARG 70 -13.403 12.040 -8.972 585 HA ARG 70 HA ARG 70 -12.894 13.863 -7.714 586 HB2 ARG 70 HB2 ARG 70 -13.389 14.640 -10.362 587 HB3 ARG 70 HB1 ARG 70 -14.150 15.865 -9.363 588 HG2 ARG 70 HG2 ARG 70 -11.275 14.993 -9.231 589 HG3 ARG 70 HG1 ARG 70 -11.902 16.491 -9.908 590 HD2 ARG 70 HD2 ARG 70 -12.621 17.256 -7.775 591 HD3 ARG 70 HD1 ARG 70 -12.266 15.696 -7.034 592 HE ARG 70 HE ARG 70 -9.888 16.185 -7.491 593 HH11 ARG 70 HH11 ARG 70 -12.175 18.815 -7.413 594 HH12 ARG 70 HH12 ARG 70 -10.987 20.004 -6.997 595 HH21 ARG 70 HH21 ARG 70 -8.320 17.745 -6.947 596 HH22 ARG 70 HH22 ARG 70 -8.796 19.396 -6.734 597 H LYS 71 HN LYS 71 -14.311 16.398 -7.706 598 HA LYS 71 HA LYS 71 -16.511 15.624 -5.915 599 HB2 LYS 71 HB2 LYS 71 -14.677 17.005 -4.966 600 HB3 LYS 71 HB1 LYS 71 -15.062 18.270 -6.124 601 HG2 LYS 71 HG2 LYS 71 -17.320 18.438 -5.139 602 HG3 LYS 71 HG1 LYS 71 -16.847 17.243 -3.929 603 HD2 LYS 71 HD2 LYS 71 -15.036 18.746 -3.192 604 HD3 LYS 71 HD1 LYS 71 -15.580 19.947 -4.366 605 HE2 LYS 71 HE2 LYS 71 -17.777 19.999 -3.240 606 HE3 LYS 71 HE1 LYS 71 -17.161 18.871 -2.034 607 HZ1 LYS 71 HZ1 LYS 71 -16.104 21.597 -2.564 608 HZ2 LYS 71 HZ2 LYS 71 -15.488 20.514 -1.419 609 HZ3 LYS 71 HZ3 LYS 71 -17.049 21.139 -1.236 610 H1 ALA 15 HT1 ALA 15 0.194 28.006 -9.650 611 H2 ALA 15 HT2 ALA 15 -1.440 28.434 -9.582 612 H3 ALA 15 HT3 ALA 15 -0.991 26.802 -9.547 613 HA ALA 15 HA ALA 15 -0.389 28.820 -7.463 614 HB1 ALA 15 HB1 ALA 15 -1.937 27.531 -6.068 615 HB2 ALA 15 HB2 ALA 15 -2.305 26.491 -7.445 616 HB3 ALA 15 HB3 ALA 15 -2.739 28.200 -7.489 617 HA PRO 16 HA PRO 16 2.759 25.393 -7.294 618 HB2 PRO 16 HB2 PRO 16 4.864 27.018 -6.724 619 HB3 PRO 16 HB1 PRO 16 4.341 26.662 -8.375 620 HG2 PRO 16 HG2 PRO 16 3.766 29.063 -6.681 621 HG3 PRO 16 HG1 PRO 16 4.205 28.983 -8.397 622 HD2 PRO 16 HD2 PRO 16 1.656 29.332 -7.569 623 HD3 PRO 16 HD1 PRO 16 2.060 28.443 -9.051 624 H ARG 17 HN ARG 17 1.544 24.814 -5.366 625 HA ARG 17 HA ARG 17 2.408 26.119 -2.889 626 HB2 ARG 17 HB2 ARG 17 0.279 24.017 -3.333 627 HB3 ARG 17 HB1 ARG 17 0.613 24.836 -1.814 628 HG2 ARG 17 HG2 ARG 17 -0.010 26.975 -2.854 629 HG3 ARG 17 HG1 ARG 17 -0.400 26.115 -4.345 630 HD2 ARG 17 HD2 ARG 17 -1.719 25.748 -1.658 631 HD3 ARG 17 HD1 ARG 17 -2.419 26.535 -3.072 632 HE ARG 17 HE ARG 17 -1.610 23.746 -3.338 633 HH11 ARG 17 HH11 ARG 17 -4.167 26.083 -2.962 634 HH12 ARG 17 HH12 ARG 17 -5.414 24.989 -3.458 635 HH21 ARG 17 HH21 ARG 17 -3.243 22.299 -3.989 636 HH22 ARG 17 HH22 ARG 17 -4.889 22.836 -4.042 637 H LYS 18 HN LYS 18 2.939 24.711 -1.029 638 HA LYS 18 HA LYS 18 4.871 22.717 -1.843 639 HB2 LYS 18 HB2 LYS 18 5.456 24.335 -0.101 640 HB3 LYS 18 HB1 LYS 18 4.132 23.754 0.900 641 HG2 LYS 18 HG2 LYS 18 5.213 21.556 1.037 642 HG3 LYS 18 HG1 LYS 18 6.553 22.169 0.065 643 HD2 LYS 18 HD2 LYS 18 7.061 23.821 1.782 644 HD3 LYS 18 HD1 LYS 18 5.693 23.258 2.745 645 HE2 LYS 18 HE2 LYS 18 7.796 22.332 3.571 646 HE3 LYS 18 HE1 LYS 18 6.735 21.064 2.959 647 HZ1 LYS 18 HZ1 LYS 18 9.008 20.733 2.227 648 HZ2 LYS 18 HZ2 LYS 18 9.028 22.259 1.496 649 HZ3 LYS 18 HZ3 LYS 18 8.007 21.049 0.900 650 H GLN 19 HN GLN 19 4.535 20.596 -1.884 651 HA GLN 19 HA GLN 19 2.019 19.452 -1.341 652 HB2 GLN 19 HB2 GLN 19 3.124 17.296 -1.749 653 HB3 GLN 19 HB1 GLN 19 3.552 18.484 -2.971 654 HG2 GLN 19 HG2 GLN 19 5.692 18.852 -1.923 655 HG3 GLN 19 HG1 GLN 19 5.264 17.764 -0.603 656 HE21 GLN 19 HE21 GLN 19 5.217 15.546 -0.970 657 HE22 GLN 19 HE22 GLN 19 5.963 14.826 -2.352 658 H LEU 20 HN LEU 20 1.403 17.930 0.253 659 HA LEU 20 HA LEU 20 2.358 18.573 2.877 660 HB2 LEU 20 HB2 LEU 20 0.316 16.587 1.887 661 HB3 LEU 20 HB1 LEU 20 0.677 16.833 3.585 662 HG LEU 20 HG LEU 20 -0.328 19.014 1.759 663 HD11 LEU 20 HD11 LEU 20 -2.024 17.306 1.918 664 HD12 LEU 20 HD12 LEU 20 -2.491 18.693 2.905 665 HD13 LEU 20 HD13 LEU 20 -1.841 17.243 3.671 666 HD21 LEU 20 HD21 LEU 20 -0.785 20.194 3.835 667 HD22 LEU 20 HD22 LEU 20 0.925 19.775 3.727 668 HD23 LEU 20 HD23 LEU 20 -0.150 18.837 4.765 669 H ALA 21 HN ALA 21 2.316 16.318 4.332 670 HA ALA 21 HA ALA 21 4.869 15.236 3.978 671 HB1 ALA 21 HB1 ALA 21 3.714 15.293 6.133 672 HB2 ALA 21 HB2 ALA 21 4.272 13.667 5.742 673 HB3 ALA 21 HB3 ALA 21 2.569 14.083 5.553 674 H THR 22 HN THR 22 5.250 12.788 3.898 675 HA THR 22 HA THR 22 3.578 11.551 1.812 676 HB THR 22 HB THR 22 5.635 10.575 0.817 677 HG1 THR 22 HG1 THR 22 7.569 11.022 1.630 678 HG21 THR 22 HG21 THR 22 4.636 12.583 -0.162 679 HG22 THR 22 HG22 THR 22 6.392 12.609 -0.319 680 HG23 THR 22 HG23 THR 22 5.602 13.594 0.913 681 H LYS 23 HN LYS 23 3.039 9.471 2.163 682 HA LYS 23 HA LYS 23 4.102 8.204 4.582 683 HB2 LYS 23 HB2 LYS 23 1.757 7.196 2.994 684 HB3 LYS 23 HB1 LYS 23 2.122 6.940 4.692 685 HG2 LYS 23 HG2 LYS 23 1.144 9.476 3.400 686 HG3 LYS 23 HG1 LYS 23 0.271 8.440 4.531 687 HD2 LYS 23 HD2 LYS 23 1.498 9.165 6.348 688 HD3 LYS 23 HD1 LYS 23 2.876 9.655 5.360 689 HE2 LYS 23 HE2 LYS 23 1.657 11.581 6.275 690 HE3 LYS 23 HE1 LYS 23 1.633 11.552 4.511 691 HZ1 LYS 23 HZ1 LYS 23 -0.568 10.724 6.323 692 HZ2 LYS 23 HZ2 LYS 23 -0.600 10.558 4.642 693 HZ3 LYS 23 HZ3 LYS 23 -0.536 12.099 5.338 694 H ALA 24 HN ALA 24 4.869 6.059 4.576 695 HA ALA 24 HA ALA 24 5.454 4.941 1.915 696 HB1 ALA 24 HB1 ALA 24 7.691 4.324 2.663 697 HB2 ALA 24 HB2 ALA 24 7.395 5.103 4.216 698 HB3 ALA 24 HB3 ALA 24 7.450 6.069 2.741 699 H ALA 25 HN ALA 25 6.502 2.646 2.278 700 HA ALA 25 HA ALA 25 5.450 1.139 4.489 701 HB1 ALA 25 HB1 ALA 25 3.436 1.352 3.120 702 HB2 ALA 25 HB2 ALA 25 3.999 -0.319 3.173 703 HB3 ALA 25 HB3 ALA 25 4.296 0.668 1.741 704 H ARG 26 HN ARG 26 6.085 -1.145 4.381 705 HA ARG 26 HA ARG 26 8.728 -1.417 3.339 706 HB2 ARG 26 HB2 ARG 26 8.445 -3.817 4.191 707 HB3 ARG 26 HB1 ARG 26 8.370 -2.519 5.368 708 HG2 ARG 26 HG2 ARG 26 5.928 -2.640 5.342 709 HG3 ARG 26 HG1 ARG 26 6.019 -3.971 4.186 710 HD2 ARG 26 HD2 ARG 26 5.702 -4.658 6.579 711 HD3 ARG 26 HD1 ARG 26 7.091 -5.383 5.769 712 HE ARG 26 HE ARG 26 7.999 -3.091 7.041 713 HH11 ARG 26 HH11 ARG 26 6.582 -6.149 7.929 714 HH12 ARG 26 HH12 ARG 26 7.370 -6.212 9.470 715 HH21 ARG 26 HH21 ARG 26 9.040 -3.167 9.066 716 HH22 ARG 26 HH22 ARG 26 8.767 -4.517 10.117 717 H MLY 27 HN MLY 27 9.340 -3.496 2.110 718 HA MLY 27 HA MLY 27 7.423 -4.724 0.400 719 HB2 MLY 27 HB2 MLY 27 7.670 -2.474 -0.694 720 HB3 MLY 27 HB1 MLY 27 9.360 -2.859 -0.982 721 HG2 MLY 27 HG2 MLY 27 7.779 -5.023 -1.937 722 HG3 MLY 27 HG1 MLY 27 7.104 -3.522 -2.569 723 HD2 MLY 27 HD2 MLY 27 10.006 -4.321 -2.762 724 HD3 MLY 27 HD1 MLY 27 8.816 -4.531 -4.046 725 HE2 MLY 27 HE2 MLY 27 8.419 -1.978 -3.721 726 HE3 MLY 27 HE1 MLY 27 10.004 -2.014 -2.951 727 HH11 MLY 27 HH11 MLY 27 8.995 -0.704 -5.579 728 HH12 MLY 27 HH12 MLY 27 10.547 -0.434 -4.790 729 HH13 MLY 27 HH13 MLY 27 10.495 -1.029 -6.450 730 HH21 MLY 27 HH21 MLY 27 11.870 -2.912 -5.852 731 HH22 MLY 27 HH22 MLY 27 11.952 -2.344 -4.188 732 HH23 MLY 27 HH23 MLY 27 11.397 -3.981 -4.531 733 HZ MLY 27 HZ MLY 27 9.467 -3.068 -5.642 734 H SER 28 HN SER 28 10.816 -3.770 -0.100 735 HA SER 28 HA SER 28 11.805 -6.369 0.605 736 HB2 SER 28 HB2 SER 28 12.678 -6.973 -1.599 737 HB3 SER 28 HB1 SER 28 10.925 -6.820 -1.663 738 HG SER 28 HG SER 28 12.519 -4.596 -2.274 739 H ALA 29 HN ALA 29 12.426 -3.997 1.701 740 HA ALA 29 HA ALA 29 14.181 -2.713 2.353 741 HB1 ALA 29 HB1 ALA 29 15.874 -4.499 0.612 742 HB2 ALA 29 HB2 ALA 29 15.402 -4.869 2.270 743 HB3 ALA 29 HB3 ALA 29 16.424 -3.472 1.935 744 HA PRO 30 HA PRO 30 14.615 0.615 -0.500 745 HB2 PRO 30 HB2 PRO 30 17.479 0.753 0.326 746 HB3 PRO 30 HB1 PRO 30 16.259 2.030 0.279 747 HG2 PRO 30 HG2 PRO 30 16.985 0.942 2.593 748 HG3 PRO 30 HG1 PRO 30 15.291 1.364 2.279 749 HD2 PRO 30 HD2 PRO 30 16.610 -1.313 2.288 750 HD3 PRO 30 HD1 PRO 30 14.971 -0.859 2.796 Start of MODEL 15 1 H MET 1 HT1 MET 1 8.506 -14.275 7.429 2 HA MET 1 HA MET 1 7.338 -12.904 9.034 3 HB2 MET 1 HB2 MET 1 6.248 -14.416 7.017 4 HB3 MET 1 HB1 MET 1 5.228 -14.847 8.388 5 HG2 MET 1 HG2 MET 1 4.695 -12.515 8.762 6 HG3 MET 1 HG1 MET 1 5.772 -12.037 7.451 7 HE1 MET 1 HE1 MET 1 2.366 -13.783 8.394 8 HE2 MET 1 HE2 MET 1 3.311 -15.082 7.666 9 HE3 MET 1 HE3 MET 1 1.887 -14.453 6.835 10 H GLU 2 HN GLU 2 4.977 -13.548 10.245 11 HA GLU 2 HA GLU 2 4.092 -14.163 12.238 12 HB2 GLU 2 HB2 GLU 2 5.840 -16.610 11.975 13 HB3 GLU 2 HB1 GLU 2 4.376 -16.457 12.937 14 HG2 GLU 2 HG2 GLU 2 3.046 -16.220 10.929 15 HG3 GLU 2 HG1 GLU 2 4.500 -16.275 9.933 16 H LEU 3 HN LEU 3 6.223 -12.405 12.418 17 HA LEU 3 HA LEU 3 7.720 -11.505 13.874 18 HB2 LEU 3 HB2 LEU 3 6.111 -13.288 15.677 19 HB3 LEU 3 HB1 LEU 3 7.444 -12.340 16.305 20 HG LEU 3 HG LEU 3 5.335 -11.206 16.698 21 HD11 LEU 3 HD11 LEU 3 7.281 -9.816 16.320 22 HD12 LEU 3 HD12 LEU 3 5.842 -9.047 15.651 23 HD13 LEU 3 HD13 LEU 3 6.992 -9.847 14.581 24 HD21 LEU 3 HD21 LEU 3 4.056 -12.164 14.849 25 HD22 LEU 3 HD22 LEU 3 4.998 -11.213 13.702 26 HD23 LEU 3 HD23 LEU 3 3.948 -10.404 14.866 27 H SER 4 HN SER 4 9.286 -12.798 12.502 28 HA SER 4 HA SER 4 10.697 -14.775 14.167 29 HB2 SER 4 HB2 SER 4 10.542 -14.481 11.164 30 HB3 SER 4 HB1 SER 4 11.705 -15.529 11.971 31 HG SER 4 HG SER 4 10.127 -16.860 12.567 32 H ALA 5 HN ALA 5 11.513 -12.604 11.461 33 HA ALA 5 HA ALA 5 13.551 -11.314 13.091 34 HB1 ALA 5 HB1 ALA 5 14.223 -12.655 10.476 35 HB2 ALA 5 HB2 ALA 5 14.718 -13.212 12.075 36 HB3 ALA 5 HB3 ALA 5 15.317 -11.674 11.452 37 H ILE 6 HN ILE 6 13.190 -11.432 9.600 38 HA ILE 6 HA ILE 6 12.816 -9.813 8.040 39 HB ILE 6 HB ILE 6 10.912 -8.661 10.080 40 HG12 ILE 6 HG12 ILE 6 10.331 -10.761 7.980 41 HG13 ILE 6 HG11 ILE 6 10.605 -11.126 9.681 42 HG21 ILE 6 HG21 ILE 6 9.969 -7.457 8.391 43 HG22 ILE 6 HG22 ILE 6 10.400 -8.640 7.158 44 HG23 ILE 6 HG23 ILE 6 11.621 -7.532 7.781 45 HD11 ILE 6 HD11 ILE 6 8.652 -9.832 10.296 46 HD12 ILE 6 HD12 ILE 6 8.229 -11.067 9.108 47 HD13 ILE 6 HD13 ILE 6 8.398 -9.383 8.609 48 H GLY 7 HN GLY 7 14.825 -8.795 8.024 49 HA2 GLY 7 HA2 GLY 7 15.758 -6.931 9.878 50 HA3 GLY 7 HA1 GLY 7 16.256 -7.005 8.194 51 H GLU 8 HN GLU 8 13.515 -6.562 7.239 52 HA GLU 8 HA GLU 8 12.181 -4.856 6.554 53 HB2 GLU 8 HB2 GLU 8 12.834 -3.853 9.331 54 HB3 GLU 8 HB1 GLU 8 11.702 -3.042 8.258 55 HG2 GLU 8 HG2 GLU 8 10.319 -5.053 8.196 56 HG3 GLU 8 HG1 GLU 8 11.453 -5.862 9.278 57 H GLN 9 HN GLN 9 12.152 -2.545 5.947 58 HA GLN 9 HA GLN 9 14.267 -0.777 6.222 59 HB2 GLN 9 HB2 GLN 9 15.339 -0.979 3.961 60 HB3 GLN 9 HB1 GLN 9 15.700 -2.294 5.070 61 HG2 GLN 9 HG2 GLN 9 14.026 -3.680 3.947 62 HG3 GLN 9 HG1 GLN 9 13.731 -2.374 2.804 63 HE21 GLN 9 HE21 GLN 9 14.355 -3.623 1.052 64 HE22 GLN 9 HE22 GLN 9 16.007 -4.030 0.750 65 H VAL 10 HN VAL 10 12.347 -1.924 3.420 66 HA VAL 10 HA VAL 10 10.806 -0.885 2.106 67 HB VAL 10 HB VAL 10 10.312 0.867 4.507 68 HG11 VAL 10 HG11 VAL 10 8.682 0.165 2.086 69 HG12 VAL 10 HG12 VAL 10 9.108 1.759 2.704 70 HG13 VAL 10 HG13 VAL 10 7.942 0.760 3.571 71 HG21 VAL 10 HG21 VAL 10 8.476 -0.937 4.881 72 HG22 VAL 10 HG22 VAL 10 10.128 -1.258 5.407 73 HG23 VAL 10 HG23 VAL 10 9.530 -1.955 3.902 74 H PHE 11 HN PHE 11 10.147 1.249 1.111 75 HA PHE 11 HA PHE 11 12.424 3.105 1.118 76 HB2 PHE 11 HB2 PHE 11 10.726 2.252 -1.233 77 HB3 PHE 11 HB1 PHE 11 11.973 3.489 -1.292 78 HD1 PHE 11 HD2 PHE 11 14.355 2.844 -0.922 79 HD2 PHE 11 HD1 PHE 11 11.256 -0.040 -1.355 80 HE1 PHE 11 HE2 PHE 11 16.037 1.115 -1.403 81 HE2 PHE 11 HE1 PHE 11 12.933 -1.775 -1.836 82 HZ PHE 11 HZ PHE 11 15.327 -1.198 -1.862 83 H ALA 12 HN ALA 12 9.657 3.683 -0.894 84 HA ALA 12 HA ALA 12 8.278 5.363 0.994 85 HB1 ALA 12 HB1 ALA 12 8.600 7.450 -0.322 86 HB2 ALA 12 HB2 ALA 12 9.845 6.620 -1.254 87 HB3 ALA 12 HB3 ALA 12 10.063 6.879 0.476 88 H VAL 13 HN VAL 13 6.235 4.886 0.537 89 HA VAL 13 HA VAL 13 5.437 4.082 -2.127 90 HB VAL 13 HB VAL 13 3.508 4.521 0.128 91 HG11 VAL 13 HG11 VAL 13 3.189 2.143 -1.430 92 HG12 VAL 13 HG12 VAL 13 3.319 3.553 -2.482 93 HG13 VAL 13 HG13 VAL 13 2.083 3.500 -1.222 94 HG21 VAL 13 HG21 VAL 13 3.872 2.167 0.783 95 HG22 VAL 13 HG22 VAL 13 5.224 3.230 1.180 96 HG23 VAL 13 HG23 VAL 13 5.325 2.149 -0.210 97 H GLU 14 HN GLU 14 4.466 5.343 -3.610 98 HA GLU 14 HA GLU 14 4.051 8.114 -3.163 99 HB2 GLU 14 HB2 GLU 14 4.445 7.060 -5.421 100 HB3 GLU 14 HB1 GLU 14 2.819 6.395 -5.337 101 HG2 GLU 14 HG2 GLU 14 1.878 8.624 -5.291 102 HG3 GLU 14 HG1 GLU 14 3.494 9.330 -5.287 103 H SER 15 HN SER 15 1.990 5.284 -3.376 104 HA SER 15 HA SER 15 0.266 5.790 -1.331 105 HB2 SER 15 HB2 SER 15 -0.533 7.818 -2.313 106 HB3 SER 15 HB1 SER 15 -0.722 7.055 -3.889 107 HG SER 15 HG SER 15 -2.713 7.282 -2.758 108 H ILE 16 HN ILE 16 -1.986 4.619 -1.745 109 HA ILE 16 HA ILE 16 -1.270 2.048 -2.865 110 HB ILE 16 HB ILE 16 -3.906 2.844 -1.625 111 HG12 ILE 16 HG12 ILE 16 -1.444 1.647 -0.338 112 HG13 ILE 16 HG11 ILE 16 -2.098 3.255 -0.038 113 HG21 ILE 16 HG21 ILE 16 -4.169 0.449 -1.224 114 HG22 ILE 16 HG22 ILE 16 -2.622 0.142 -2.024 115 HG23 ILE 16 HG23 ILE 16 -3.978 0.788 -2.947 116 HD11 ILE 16 HD11 ILE 16 -2.580 1.378 1.642 117 HD12 ILE 16 HD12 ILE 16 -3.756 0.817 0.461 118 HD13 ILE 16 HD13 ILE 16 -3.903 2.430 1.156 119 H ARG 17 HN ARG 17 -2.672 0.899 -4.346 120 HA ARG 17 HA ARG 17 -4.049 2.675 -6.253 121 HB2 ARG 17 HB2 ARG 17 -1.895 0.757 -6.654 122 HB3 ARG 17 HB1 ARG 17 -3.276 0.429 -7.688 123 HG2 ARG 17 HG2 ARG 17 -3.171 2.822 -8.401 124 HG3 ARG 17 HG1 ARG 17 -1.640 2.936 -7.536 125 HD2 ARG 17 HD2 ARG 17 -0.789 1.052 -8.909 126 HD3 ARG 17 HD1 ARG 17 -2.295 1.094 -9.826 127 HE ARG 17 HE ARG 17 -0.200 3.150 -9.844 128 HH11 ARG 17 HH11 ARG 17 -3.163 1.838 -11.125 129 HH12 ARG 17 HH12 ARG 17 -3.146 2.838 -12.539 130 HH21 ARG 17 HH21 ARG 17 -0.170 4.472 -11.704 131 HH22 ARG 17 HH22 ARG 17 -1.444 4.334 -12.868 132 H LYS 18 HN LYS 18 -3.796 -0.640 -5.017 133 HA LYS 18 HA LYS 18 -6.683 -0.947 -5.456 134 HB2 LYS 18 HB2 LYS 18 -4.634 -3.066 -6.035 135 HB3 LYS 18 HB1 LYS 18 -6.365 -3.181 -6.284 136 HG2 LYS 18 HG2 LYS 18 -6.331 -1.714 -8.081 137 HG3 LYS 18 HG1 LYS 18 -4.748 -1.074 -7.643 138 HD2 LYS 18 HD2 LYS 18 -3.744 -3.240 -8.184 139 HD3 LYS 18 HD1 LYS 18 -5.327 -3.833 -8.665 140 HE2 LYS 18 HE2 LYS 18 -5.456 -2.286 -10.464 141 HE3 LYS 18 HE1 LYS 18 -4.023 -1.437 -9.895 142 HZ1 LYS 18 HZ1 LYS 18 -2.715 -3.424 -10.376 143 HZ2 LYS 18 HZ2 LYS 18 -3.491 -2.852 -11.765 144 HZ3 LYS 18 HZ3 LYS 18 -4.097 -4.208 -10.957 145 H LYS 19 HN LYS 19 -7.418 -3.090 -4.379 146 HA LYS 19 HA LYS 19 -5.975 -3.782 -1.957 147 HB2 LYS 19 HB2 LYS 19 -7.220 -1.978 -1.054 148 HB3 LYS 19 HB1 LYS 19 -8.672 -2.443 -1.922 149 HG2 LYS 19 HG2 LYS 19 -8.768 -4.500 -0.545 150 HG3 LYS 19 HG1 LYS 19 -7.391 -3.898 0.378 151 HD2 LYS 19 HD2 LYS 19 -8.714 -1.909 0.977 152 HD3 LYS 19 HD1 LYS 19 -10.094 -2.589 0.115 153 HE2 LYS 19 HE2 LYS 19 -9.783 -4.625 1.618 154 HE3 LYS 19 HE1 LYS 19 -8.756 -3.599 2.603 155 HZ1 LYS 19 HZ1 LYS 19 -11.604 -3.082 1.942 156 HZ2 LYS 19 HZ2 LYS 19 -10.615 -2.059 2.858 157 HZ3 LYS 19 HZ3 LYS 19 -11.009 -3.598 3.439 158 H ARG 20 HN ARG 20 -6.057 -5.948 -1.850 159 HA ARG 20 HA ARG 20 -8.544 -7.260 -2.703 160 HB2 ARG 20 HB2 ARG 20 -7.491 -8.782 -4.051 161 HB3 ARG 20 HB1 ARG 20 -6.428 -7.406 -4.279 162 HG2 ARG 20 HG2 ARG 20 -4.774 -8.318 -2.874 163 HG3 ARG 20 HG1 ARG 20 -5.878 -9.538 -2.234 164 HD2 ARG 20 HD2 ARG 20 -6.021 -10.516 -4.515 165 HD3 ARG 20 HD1 ARG 20 -4.793 -9.365 -5.039 166 HE ARG 20 HE ARG 20 -3.915 -10.860 -2.789 167 HH11 ARG 20 HH11 ARG 20 -4.393 -11.056 -6.235 168 HH12 ARG 20 HH12 ARG 20 -3.179 -12.270 -6.464 169 HH21 ARG 20 HH21 ARG 20 -2.318 -12.460 -3.080 170 HH22 ARG 20 HH22 ARG 20 -2.001 -13.069 -4.670 171 H VAL 21 HN VAL 21 -9.356 -8.703 -1.334 172 HA VAL 21 HA VAL 21 -7.740 -9.372 1.031 173 HB VAL 21 HB VAL 21 -10.741 -9.141 0.761 174 HG11 VAL 21 HG11 VAL 21 -9.207 -9.741 3.278 175 HG12 VAL 21 HG12 VAL 21 -9.923 -11.007 2.277 176 HG13 VAL 21 HG13 VAL 21 -10.954 -9.788 3.026 177 HG21 VAL 21 HG21 VAL 21 -9.003 -7.625 2.662 178 HG22 VAL 21 HG22 VAL 21 -10.596 -7.202 2.022 179 HG23 VAL 21 HG23 VAL 21 -9.170 -7.084 0.989 180 H ARG 22 HN ARG 22 -7.823 -11.485 1.874 181 HA ARG 22 HA ARG 22 -8.993 -13.546 0.137 182 HB2 ARG 22 HB2 ARG 22 -6.499 -13.238 -0.242 183 HB3 ARG 22 HB1 ARG 22 -6.261 -13.787 1.407 184 HG2 ARG 22 HG2 ARG 22 -7.510 -15.876 0.768 185 HG3 ARG 22 HG1 ARG 22 -7.387 -15.322 -0.902 186 HD2 ARG 22 HD2 ARG 22 -4.890 -15.122 -0.484 187 HD3 ARG 22 HD1 ARG 22 -5.171 -16.039 0.993 188 HE ARG 22 HE ARG 22 -6.329 -17.450 -1.116 189 HH11 ARG 22 HH11 ARG 22 -3.162 -16.478 -0.034 190 HH12 ARG 22 HH12 ARG 22 -2.362 -17.841 -0.742 191 HH21 ARG 22 HH21 ARG 22 -5.283 -19.246 -2.050 192 HH22 ARG 22 HH22 ARG 22 -3.567 -19.414 -1.887 193 H LYS 23 HN LYS 23 -10.620 -14.144 1.517 194 HA LYS 23 HA LYS 23 -11.636 -15.113 3.309 195 HB2 LYS 23 HB2 LYS 23 -8.824 -16.017 3.897 196 HB3 LYS 23 HB1 LYS 23 -10.242 -16.582 4.769 197 HG2 LYS 23 HG2 LYS 23 -11.002 -17.830 3.004 198 HG3 LYS 23 HG1 LYS 23 -10.193 -16.822 1.809 199 HD2 LYS 23 HD2 LYS 23 -9.076 -18.942 1.898 200 HD3 LYS 23 HD1 LYS 23 -8.021 -17.715 2.603 201 HE2 LYS 23 HE2 LYS 23 -7.912 -19.610 4.026 202 HE3 LYS 23 HE1 LYS 23 -8.898 -18.400 4.847 203 HZ1 LYS 23 HZ1 LYS 23 -10.881 -19.565 4.105 204 HZ2 LYS 23 HZ2 LYS 23 -9.889 -20.589 5.015 205 HZ3 LYS 23 HZ3 LYS 23 -9.933 -20.733 3.330 206 H GLY 24 HN GLY 24 -9.708 -12.558 3.451 207 HA2 GLY 24 HA2 GLY 24 -10.580 -10.962 5.224 208 HA3 GLY 24 HA1 GLY 24 -9.962 -12.157 6.350 209 H LYS 25 HN LYS 25 -7.780 -12.561 4.172 210 HA LYS 25 HA LYS 25 -5.863 -10.831 5.390 211 HB2 LYS 25 HB2 LYS 25 -5.553 -12.552 2.933 212 HB3 LYS 25 HB1 LYS 25 -4.258 -11.895 3.917 213 HG2 LYS 25 HG2 LYS 25 -4.851 -13.306 5.754 214 HG3 LYS 25 HG1 LYS 25 -6.304 -13.855 4.918 215 HD2 LYS 25 HD2 LYS 25 -4.729 -15.579 4.622 216 HD3 LYS 25 HD1 LYS 25 -4.767 -14.691 3.096 217 HE2 LYS 25 HE2 LYS 25 -2.476 -15.177 3.707 218 HE3 LYS 25 HE1 LYS 25 -2.775 -13.442 3.792 219 HZ1 LYS 25 HZ1 LYS 25 -1.505 -14.223 5.695 220 HZ2 LYS 25 HZ2 LYS 25 -2.744 -15.296 6.111 221 HZ3 LYS 25 HZ3 LYS 25 -3.013 -13.628 6.184 222 H VAL 26 HN VAL 26 -6.046 -8.711 4.939 223 HA VAL 26 HA VAL 26 -6.879 -7.792 2.340 224 HB VAL 26 HB VAL 26 -5.852 -6.185 4.668 225 HG11 VAL 26 HG11 VAL 26 -7.507 -5.337 2.299 226 HG12 VAL 26 HG12 VAL 26 -5.779 -5.035 2.485 227 HG13 VAL 26 HG13 VAL 26 -6.928 -4.299 3.603 228 HG21 VAL 26 HG21 VAL 26 -8.715 -6.371 3.969 229 HG22 VAL 26 HG22 VAL 26 -7.964 -6.040 5.526 230 HG23 VAL 26 HG23 VAL 26 -7.991 -7.686 4.887 231 H GLU 27 HN GLU 27 -5.692 -6.782 0.815 232 HA GLU 27 HA GLU 27 -2.817 -6.433 1.246 233 HB2 GLU 27 HB2 GLU 27 -4.099 -7.617 -1.225 234 HB3 GLU 27 HB1 GLU 27 -2.387 -7.287 -1.010 235 HG2 GLU 27 HG2 GLU 27 -2.810 -8.838 1.126 236 HG3 GLU 27 HG1 GLU 27 -4.042 -9.480 0.046 237 H TYR 28 HN TYR 28 -1.878 -4.930 -0.444 238 HA TYR 28 HA TYR 28 -3.856 -3.104 -1.570 239 HB2 TYR 28 HB2 TYR 28 -1.807 -2.406 0.507 240 HB3 TYR 28 HB1 TYR 28 -2.481 -1.183 -0.554 241 HD1 TYR 28 HD1 TYR 28 -5.186 -1.322 -0.655 242 HD2 TYR 28 HD2 TYR 28 -2.769 -2.615 2.595 243 HE1 TYR 28 HE1 TYR 28 -7.088 -1.071 0.866 244 HE2 TYR 28 HE2 TYR 28 -4.672 -2.358 4.116 245 HH TYR 28 HH TYR 28 -7.849 -1.942 3.036 246 H LEU 29 HN LEU 29 -3.294 -2.967 -3.665 247 HA LEU 29 HA LEU 29 -0.645 -3.394 -4.606 248 HB2 LEU 29 HB2 LEU 29 -2.839 -3.673 -5.926 249 HB3 LEU 29 HB1 LEU 29 -2.817 -1.935 -6.113 250 HG LEU 29 HG LEU 29 -1.894 -3.422 -8.026 251 HD11 LEU 29 HD11 LEU 29 -1.759 -0.955 -7.820 252 HD12 LEU 29 HD12 LEU 29 -0.428 -1.686 -8.710 253 HD13 LEU 29 HD13 LEU 29 -0.192 -1.152 -7.044 254 HD21 LEU 29 HD21 LEU 29 0.473 -3.349 -6.182 255 HD22 LEU 29 HD22 LEU 29 0.497 -3.887 -7.860 256 HD23 LEU 29 HD23 LEU 29 -0.417 -4.794 -6.652 257 H VAL 30 HN VAL 30 0.756 -1.987 -3.605 258 HA VAL 30 HA VAL 30 0.220 0.838 -3.492 259 HB VAL 30 HB VAL 30 2.714 0.849 -2.753 260 HG11 VAL 30 HG11 VAL 30 2.068 0.628 -0.537 261 HG12 VAL 30 HG12 VAL 30 0.860 -0.606 -0.908 262 HG13 VAL 30 HG13 VAL 30 0.571 1.075 -1.358 263 HG21 VAL 30 HG21 VAL 30 3.487 -1.250 -1.805 264 HG22 VAL 30 HG22 VAL 30 3.225 -1.404 -3.543 265 HG23 VAL 30 HG23 VAL 30 2.046 -2.066 -2.411 266 H LYS 31 HN LYS 31 0.867 2.395 -4.829 267 HA LYS 31 HA LYS 31 2.637 1.673 -7.043 268 HB2 LYS 31 HB2 LYS 31 1.952 3.987 -7.911 269 HB3 LYS 31 HB1 LYS 31 0.728 2.729 -7.930 270 HG2 LYS 31 HG2 LYS 31 -0.319 3.654 -5.969 271 HG3 LYS 31 HG1 LYS 31 0.972 4.849 -5.806 272 HD2 LYS 31 HD2 LYS 31 0.192 6.129 -7.520 273 HD3 LYS 31 HD1 LYS 31 -0.446 4.745 -8.406 274 HE2 LYS 31 HE2 LYS 31 -2.270 6.129 -7.638 275 HE3 LYS 31 HE1 LYS 31 -2.292 4.591 -6.780 276 HZ1 LYS 31 HZ1 LYS 31 -1.217 7.148 -5.726 277 HZ2 LYS 31 HZ2 LYS 31 -1.218 5.670 -4.902 278 HZ3 LYS 31 HZ3 LYS 31 -2.682 6.429 -5.279 279 H TRP 32 HN TRP 32 4.643 1.839 -6.432 280 HA TRP 32 HA TRP 32 5.594 3.466 -4.344 281 HB2 TRP 32 HB2 TRP 32 6.956 1.889 -6.519 282 HB3 TRP 32 HB1 TRP 32 7.844 2.730 -5.254 283 HD1 TRP 32 HD1 TRP 32 5.902 -0.416 -5.904 284 HE1 TRP 32 HE1 TRP 32 5.807 -1.831 -3.755 285 HE3 TRP 32 HE3 TRP 32 7.746 3.006 -2.615 286 HZ2 TRP 32 HZ2 TRP 32 6.442 -1.520 -1.019 287 HZ3 TRP 32 HZ3 TRP 32 7.992 2.382 -0.254 288 HH2 TRP 32 HH2 TRP 32 7.338 0.162 0.527 289 H LYS 33 HN LYS 33 6.687 5.350 -4.286 290 HA LYS 33 HA LYS 33 6.111 7.359 -6.093 291 HB2 LYS 33 HB2 LYS 33 6.795 7.825 -3.822 292 HB3 LYS 33 HB1 LYS 33 8.396 7.168 -4.131 293 HG2 LYS 33 HG2 LYS 33 9.109 9.040 -5.171 294 HG3 LYS 33 HG1 LYS 33 7.537 9.364 -5.897 295 HD2 LYS 33 HD2 LYS 33 7.991 11.096 -4.316 296 HD3 LYS 33 HD1 LYS 33 6.723 10.062 -3.652 297 HE2 LYS 33 HE2 LYS 33 8.270 10.535 -1.897 298 HE3 LYS 33 HE1 LYS 33 8.483 8.851 -2.375 299 HZ1 LYS 33 HZ1 LYS 33 10.606 9.964 -2.070 300 HZ2 LYS 33 HZ2 LYS 33 10.197 11.115 -3.241 301 HZ3 LYS 33 HZ3 LYS 33 10.404 9.496 -3.684 302 H GLY 34 HN GLY 34 9.457 6.238 -5.579 303 HA2 GLY 34 HA2 GLY 34 10.274 7.242 -8.131 304 HA3 GLY 34 HA1 GLY 34 11.264 6.325 -7.008 305 H TRP 35 HN TRP 35 8.216 5.038 -8.121 306 HA TRP 35 HA TRP 35 9.571 3.389 -10.126 307 HB2 TRP 35 HB2 TRP 35 8.010 2.310 -7.786 308 HB3 TRP 35 HB1 TRP 35 8.416 1.357 -9.202 309 HD1 TRP 35 HD1 TRP 35 10.003 2.939 -6.102 310 HE1 TRP 35 HE1 TRP 35 12.324 1.888 -5.741 311 HE3 TRP 35 HE3 TRP 35 10.346 0.222 -10.422 312 HZ2 TRP 35 HZ2 TRP 35 14.070 0.139 -7.105 313 HZ3 TRP 35 HZ3 TRP 35 12.374 -1.114 -10.816 314 HH2 TRP 35 HH2 TRP 35 14.197 -1.153 -9.191 315 HA PRO 36 HA PRO 36 5.753 3.939 -12.235 316 HB2 PRO 36 HB2 PRO 36 6.074 2.001 -14.131 317 HB3 PRO 36 HB1 PRO 36 6.859 3.569 -14.182 318 HG2 PRO 36 HG2 PRO 36 8.008 0.975 -13.642 319 HG3 PRO 36 HG1 PRO 36 8.802 2.480 -14.088 320 HD2 PRO 36 HD2 PRO 36 8.605 1.284 -11.506 321 HD3 PRO 36 HD1 PRO 36 9.392 2.779 -11.967 322 HA PRO 37 HA PRO 37 2.657 1.238 -10.620 323 HB2 PRO 37 HB2 PRO 37 1.536 1.170 -13.382 324 HB3 PRO 37 HB1 PRO 37 0.735 1.540 -11.850 325 HG2 PRO 37 HG2 PRO 37 1.374 3.486 -13.546 326 HG3 PRO 37 HG1 PRO 37 1.551 3.711 -11.795 327 HD2 PRO 37 HD2 PRO 37 3.640 3.227 -13.868 328 HD3 PRO 37 HD1 PRO 37 3.716 4.213 -12.394 329 H LYS 38 HN LYS 38 4.542 0.363 -13.373 330 HA LYS 38 HA LYS 38 3.586 -2.264 -13.774 331 HB2 LYS 38 HB2 LYS 38 6.274 -1.041 -14.384 332 HB3 LYS 38 HB1 LYS 38 5.747 -2.620 -14.951 333 HG2 LYS 38 HG2 LYS 38 4.172 -1.719 -16.397 334 HG3 LYS 38 HG1 LYS 38 4.142 -0.170 -15.550 335 HD2 LYS 38 HD2 LYS 38 6.556 -1.202 -17.016 336 HD3 LYS 38 HD1 LYS 38 5.335 -0.176 -17.769 337 HE2 LYS 38 HE2 LYS 38 5.763 1.568 -16.134 338 HE3 LYS 38 HE1 LYS 38 6.930 0.544 -15.309 339 HZ1 LYS 38 HZ1 LYS 38 8.300 0.561 -17.307 340 HZ2 LYS 38 HZ2 LYS 38 8.026 2.136 -16.751 341 HZ3 LYS 38 HZ3 LYS 38 7.177 1.554 -18.094 342 H TYR 39 HN TYR 39 5.990 -0.908 -11.613 343 HA TYR 39 HA TYR 39 6.744 -3.581 -10.711 344 HB2 TYR 39 HB2 TYR 39 7.891 -0.881 -9.979 345 HB3 TYR 39 HB1 TYR 39 8.516 -2.438 -9.463 346 HD1 TYR 39 HD1 TYR 39 7.957 -0.268 -12.327 347 HD2 TYR 39 HD2 TYR 39 9.949 -3.725 -10.903 348 HE1 TYR 39 HE1 TYR 39 9.313 -0.286 -14.357 349 HE2 TYR 39 HE2 TYR 39 11.332 -3.777 -12.943 350 HH TYR 39 HH TYR 39 11.230 -2.957 -15.258 351 H SER 40 HN SER 40 4.258 -1.732 -10.059 352 HA SER 40 HA SER 40 4.147 -1.167 -7.372 353 HB2 SER 40 HB2 SER 40 1.981 -2.327 -9.125 354 HB3 SER 40 HB1 SER 40 1.705 -1.703 -7.503 355 HG SER 40 HG SER 40 2.947 -0.145 -9.506 356 H THR 41 HN THR 41 3.220 -2.404 -5.555 357 HA THR 41 HA THR 41 3.559 -5.304 -5.882 358 HB THR 41 HB THR 41 4.853 -5.528 -3.882 359 HG1 THR 41 HG1 THR 41 3.820 -3.749 -2.750 360 HG21 THR 41 HG21 THR 41 5.959 -4.696 -6.060 361 HG22 THR 41 HG22 THR 41 6.887 -4.604 -4.564 362 HG23 THR 41 HG23 THR 41 6.118 -3.156 -5.216 363 H TRP 42 HN TRP 42 2.560 -6.606 -4.263 364 HA TRP 42 HA TRP 42 0.163 -5.343 -3.149 365 HB2 TRP 42 HB2 TRP 42 0.877 -8.179 -3.853 366 HB3 TRP 42 HB1 TRP 42 -0.486 -7.820 -2.799 367 HD1 TRP 42 HD1 TRP 42 0.493 -7.973 -6.406 368 HE1 TRP 42 HE1 TRP 42 -1.511 -7.289 -7.873 369 HE3 TRP 42 HE3 TRP 42 -2.557 -6.063 -2.776 370 HZ2 TRP 42 HZ2 TRP 42 -4.049 -6.093 -7.528 371 HZ3 TRP 42 HZ3 TRP 42 -4.754 -5.166 -3.429 372 HH2 TRP 42 HH2 TRP 42 -5.477 -5.182 -5.765 373 H GLU 43 HN GLU 43 0.665 -4.533 -1.199 374 HA GLU 43 HA GLU 43 2.167 -6.234 0.664 375 HB2 GLU 43 HB2 GLU 43 1.596 -3.317 1.087 376 HB3 GLU 43 HB1 GLU 43 2.889 -4.295 1.766 377 HG2 GLU 43 HG2 GLU 43 2.646 -3.484 -1.123 378 HG3 GLU 43 HG1 GLU 43 3.693 -2.723 0.071 379 HA PRO 44 HA PRO 44 -1.705 -7.109 2.734 380 HB2 PRO 44 HB2 PRO 44 0.152 -7.560 5.017 381 HB3 PRO 44 HB1 PRO 44 -1.131 -8.598 4.385 382 HG2 PRO 44 HG2 PRO 44 1.410 -9.157 3.896 383 HG3 PRO 44 HG1 PRO 44 0.183 -9.380 2.639 384 HD2 PRO 44 HD2 PRO 44 2.215 -7.212 2.947 385 HD3 PRO 44 HD1 PRO 44 1.617 -7.996 1.470 386 H GLU 45 HN GLU 45 -2.999 -6.175 4.243 387 HA GLU 45 HA GLU 45 -2.577 -3.454 4.820 388 HB2 GLU 45 HB2 GLU 45 -4.790 -4.433 4.503 389 HB3 GLU 45 HB1 GLU 45 -4.584 -5.419 5.938 390 HG2 GLU 45 HG2 GLU 45 -4.450 -2.441 6.105 391 HG3 GLU 45 HG1 GLU 45 -6.000 -3.264 6.044 392 H GLU 46 HN GLU 46 -1.601 -6.297 6.417 393 HA GLU 46 HA GLU 46 -1.380 -5.076 9.037 394 HB2 GLU 46 HB2 GLU 46 -0.472 -7.778 8.037 395 HB3 GLU 46 HB1 GLU 46 -0.444 -7.251 9.714 396 HG2 GLU 46 HG2 GLU 46 -2.859 -7.076 9.728 397 HG3 GLU 46 HG1 GLU 46 -2.918 -7.520 8.024 398 H HIS 47 HN HIS 47 0.426 -4.871 6.265 399 HA HIS 47 HA HIS 47 2.888 -4.517 7.831 400 HB2 HIS 47 HB2 HIS 47 2.458 -5.895 5.271 401 HB3 HIS 47 HB1 HIS 47 3.865 -4.837 5.325 402 HD1 HIS 47 HD1 HIS 47 2.446 -7.936 6.898 403 HD2 HIS 47 HD2 HIS 47 5.997 -5.756 6.901 404 HE1 HIS 47 HE1 HIS 47 4.124 -9.378 8.091 405 HE2 HIS 47 HE2 HIS 47 6.270 -8.062 8.038 406 H ILE 48 HN ILE 48 0.675 -2.963 5.617 407 HA ILE 48 HA ILE 48 2.384 -0.947 4.630 408 HB ILE 48 HB ILE 48 -0.559 -0.707 5.371 409 HG12 ILE 48 HG12 ILE 48 0.915 -1.484 2.883 410 HG13 ILE 48 HG11 ILE 48 -0.556 -2.153 3.567 411 HG21 ILE 48 HG21 ILE 48 -0.558 1.351 4.019 412 HG22 ILE 48 HG22 ILE 48 1.191 1.213 3.840 413 HG23 ILE 48 HG23 ILE 48 0.487 1.478 5.435 414 HD11 ILE 48 HD11 ILE 48 -0.208 0.005 1.630 415 HD12 ILE 48 HD12 ILE 48 -1.410 0.313 2.884 416 HD13 ILE 48 HD13 ILE 48 -1.541 -1.118 1.869 417 H LEU 49 HN LEU 49 3.805 -0.360 6.074 418 HA LEU 49 HA LEU 49 3.654 0.093 8.749 419 HB2 LEU 49 HB2 LEU 49 5.292 1.711 6.826 420 HB3 LEU 49 HB1 LEU 49 5.645 1.429 8.511 421 HG LEU 49 HG LEU 49 5.557 -0.789 6.460 422 HD11 LEU 49 HD11 LEU 49 7.198 0.698 5.704 423 HD12 LEU 49 HD12 LEU 49 8.049 -0.585 6.568 424 HD13 LEU 49 HD13 LEU 49 7.813 0.990 7.330 425 HD21 LEU 49 HD21 LEU 49 5.324 -1.510 8.717 426 HD22 LEU 49 HD22 LEU 49 6.701 -0.545 9.236 427 HD23 LEU 49 HD23 LEU 49 6.939 -1.922 8.155 428 H ASP 50 HN ASP 50 2.420 2.150 6.231 429 HA ASP 50 HA ASP 50 1.758 4.152 8.284 430 HB2 ASP 50 HB2 ASP 50 2.531 4.515 5.400 431 HB3 ASP 50 HB1 ASP 50 1.651 5.761 6.278 432 HA PRO 51 HA PRO 51 -2.411 2.706 7.162 433 HB2 PRO 51 HB2 PRO 51 -3.089 4.588 9.323 434 HB3 PRO 51 HB1 PRO 51 -3.513 2.884 9.158 435 HG2 PRO 51 HG2 PRO 51 -1.717 3.673 10.967 436 HG3 PRO 51 HG1 PRO 51 -1.486 2.170 10.053 437 HD2 PRO 51 HD2 PRO 51 -0.218 4.844 9.630 438 HD3 PRO 51 HD1 PRO 51 0.507 3.225 9.578 439 H ARG 52 HN ARG 52 -0.843 5.700 7.097 440 HA ARG 52 HA ARG 52 -2.950 7.432 6.428 441 HB2 ARG 52 HB2 ARG 52 -0.032 7.451 6.358 442 HB3 ARG 52 HB1 ARG 52 -0.721 8.303 4.987 443 HG2 ARG 52 HG2 ARG 52 -1.638 8.869 7.777 444 HG3 ARG 52 HG1 ARG 52 -0.194 9.632 7.110 445 HD2 ARG 52 HD2 ARG 52 -2.949 9.742 5.896 446 HD3 ARG 52 HD1 ARG 52 -2.205 11.028 6.847 447 HE ARG 52 HE ARG 52 -0.722 10.158 4.512 448 HH11 ARG 52 HH11 ARG 52 -2.995 12.428 5.861 449 HH12 ARG 52 HH12 ARG 52 -2.722 13.624 4.639 450 HH21 ARG 52 HH21 ARG 52 -0.356 11.727 2.900 451 HH22 ARG 52 HH22 ARG 52 -1.222 13.225 2.956 452 H LEU 53 HN LEU 53 -1.033 5.134 4.644 453 HA LEU 53 HA LEU 53 -1.888 5.808 2.037 454 HB2 LEU 53 HB2 LEU 53 -0.784 3.269 3.239 455 HB3 LEU 53 HB1 LEU 53 -1.022 3.521 1.536 456 HG LEU 53 HG LEU 53 0.677 5.465 3.018 457 HD11 LEU 53 HD11 LEU 53 1.615 2.792 2.012 458 HD12 LEU 53 HD12 LEU 53 1.466 3.238 3.711 459 HD13 LEU 53 HD13 LEU 53 2.627 4.070 2.677 460 HD21 LEU 53 HD21 LEU 53 0.578 4.333 0.235 461 HD22 LEU 53 HD22 LEU 53 1.857 5.407 0.810 462 HD23 LEU 53 HD23 LEU 53 0.188 5.978 0.744 463 H VAL 54 HN VAL 54 -2.761 3.272 4.331 464 HA VAL 54 HA VAL 54 -4.792 2.037 2.885 465 HB VAL 54 HB VAL 54 -4.396 2.326 5.866 466 HG11 VAL 54 HG11 VAL 54 -6.648 1.322 4.401 467 HG12 VAL 54 HG12 VAL 54 -6.453 1.530 6.140 468 HG13 VAL 54 HG13 VAL 54 -5.912 0.042 5.359 469 HG21 VAL 54 HG21 VAL 54 -3.721 0.211 3.851 470 HG22 VAL 54 HG22 VAL 54 -3.722 -0.097 5.587 471 HG23 VAL 54 HG23 VAL 54 -2.620 1.099 4.904 472 H MET 55 HN MET 55 -5.087 4.451 5.458 473 HA MET 55 HA MET 55 -7.799 4.866 5.388 474 HB2 MET 55 HB2 MET 55 -5.970 5.867 6.934 475 HB3 MET 55 HB1 MET 55 -5.915 7.165 5.758 476 HG2 MET 55 HG2 MET 55 -7.507 8.103 6.989 477 HG3 MET 55 HG1 MET 55 -8.582 6.937 6.234 478 HE1 MET 55 HE1 MET 55 -7.272 4.364 7.414 479 HE2 MET 55 HE2 MET 55 -9.031 4.354 7.567 480 HE3 MET 55 HE3 MET 55 -8.021 4.006 8.972 481 H ALA 56 HN ALA 56 -5.312 6.723 3.652 482 HA ALA 56 HA ALA 56 -6.985 8.374 2.176 483 HB1 ALA 56 HB1 ALA 56 -4.369 8.265 2.402 484 HB2 ALA 56 HB2 ALA 56 -5.125 8.986 0.982 485 HB3 ALA 56 HB3 ALA 56 -4.497 7.339 0.908 486 H TYR 57 HN TYR 57 -5.883 5.090 1.525 487 HA TYR 57 HA TYR 57 -6.780 4.833 -1.100 488 HB2 TYR 57 HB2 TYR 57 -5.366 3.141 -0.039 489 HB3 TYR 57 HB1 TYR 57 -6.671 2.708 1.058 490 HD1 TYR 57 HD1 TYR 57 -5.575 2.664 -2.446 491 HD2 TYR 57 HD2 TYR 57 -8.430 1.254 0.358 492 HE1 TYR 57 HE1 TYR 57 -6.436 1.085 -4.129 493 HE2 TYR 57 HE2 TYR 57 -9.297 -0.334 -1.303 494 HH TYR 57 HH TYR 57 -9.360 -0.611 -3.730 495 H GLU 58 HN GLU 58 -8.429 4.044 1.937 496 HA GLU 58 HA GLU 58 -10.902 3.376 0.735 497 HB2 GLU 58 HB2 GLU 58 -10.543 4.322 3.531 498 HB3 GLU 58 HB1 GLU 58 -11.777 3.244 2.921 499 HG2 GLU 58 HG2 GLU 58 -10.166 1.507 2.593 500 HG3 GLU 58 HG1 GLU 58 -8.845 2.592 3.020 501 H GLU 59 HN GLU 59 -9.360 6.307 1.256 502 HA GLU 59 HA GLU 59 -11.739 7.914 1.591 503 HB2 GLU 59 HB2 GLU 59 -10.235 9.313 2.472 504 HB3 GLU 59 HB1 GLU 59 -8.922 8.260 1.961 505 HG2 GLU 59 HG2 GLU 59 -8.811 9.379 -0.172 506 HG3 GLU 59 HG1 GLU 59 -10.190 10.389 0.258 507 H LYS 60 HN LYS 60 -9.483 7.054 -0.961 508 HA LYS 60 HA LYS 60 -10.551 8.846 -2.903 509 HB2 LYS 60 HB2 LYS 60 -8.994 6.314 -3.411 510 HB3 LYS 60 HB1 LYS 60 -9.140 7.708 -4.471 511 HG2 LYS 60 HG2 LYS 60 -7.528 8.823 -3.422 512 HG3 LYS 60 HG1 LYS 60 -8.075 8.320 -1.822 513 HD2 LYS 60 HD2 LYS 60 -6.119 7.177 -1.886 514 HD3 LYS 60 HD1 LYS 60 -7.139 5.985 -2.688 515 HE2 LYS 60 HE2 LYS 60 -6.445 6.880 -4.868 516 HE3 LYS 60 HE1 LYS 60 -5.395 8.036 -4.048 517 HZ1 LYS 60 HZ1 LYS 60 -5.150 5.078 -3.909 518 HZ2 LYS 60 HZ2 LYS 60 -4.142 6.189 -3.125 519 HZ3 LYS 60 HZ3 LYS 60 -4.160 6.110 -4.815 520 H GLU 61 HN GLU 61 -11.024 5.443 -2.106 521 HA GLU 61 HA GLU 61 -12.730 4.878 -4.289 522 HB2 GLU 61 HB2 GLU 61 -13.240 2.803 -3.192 523 HB3 GLU 61 HB1 GLU 61 -11.525 3.142 -3.010 524 HG2 GLU 61 HG2 GLU 61 -11.992 4.036 -0.769 525 HG3 GLU 61 HG1 GLU 61 -13.666 3.520 -0.947 526 H GLU 62 HN GLU 62 -13.416 5.613 -0.890 527 HA GLU 62 HA GLU 62 -16.193 5.450 -1.035 528 HB2 GLU 62 HB2 GLU 62 -16.269 6.723 0.992 529 HB3 GLU 62 HB1 GLU 62 -14.858 5.679 1.061 530 HG2 GLU 62 HG2 GLU 62 -13.401 7.510 0.558 531 HG3 GLU 62 HG1 GLU 62 -14.776 8.574 0.272 532 H ARG 63 HN ARG 63 -14.023 8.118 -1.768 533 HA ARG 63 HA ARG 63 -15.927 10.129 -2.171 534 HB2 ARG 63 HB2 ARG 63 -13.120 9.665 -3.021 535 HB3 ARG 63 HB1 ARG 63 -14.029 10.925 -3.840 536 HG2 ARG 63 HG2 ARG 63 -13.603 10.734 -0.865 537 HG3 ARG 63 HG1 ARG 63 -12.722 11.789 -1.965 538 HD2 ARG 63 HD2 ARG 63 -15.687 11.865 -1.439 539 HD3 ARG 63 HD1 ARG 63 -14.497 13.000 -0.806 540 HE ARG 63 HE ARG 63 -14.239 13.023 -3.565 541 HH11 ARG 63 HH11 ARG 63 -16.677 13.796 -1.197 542 HH12 ARG 63 HH12 ARG 63 -17.424 15.013 -2.176 543 HH21 ARG 63 HH21 ARG 63 -15.217 14.624 -4.859 544 HH22 ARG 63 HH22 ARG 63 -16.594 15.484 -4.257 545 H ASP 64 HN ASP 64 -14.334 8.032 -4.564 546 HA ASP 64 HA ASP 64 -15.903 8.985 -6.745 547 HB2 ASP 64 HB2 ASP 64 -13.618 7.980 -6.949 548 HB3 ASP 64 HB1 ASP 64 -14.330 6.423 -6.577 549 H ARG 65 HN ARG 65 -15.744 5.781 -5.248 550 HA ARG 65 HA ARG 65 -17.971 4.670 -6.417 551 HB2 ARG 65 HB2 ARG 65 -17.005 4.134 -3.611 552 HB3 ARG 65 HB1 ARG 65 -18.001 3.066 -4.591 553 HG2 ARG 65 HG2 ARG 65 -16.085 3.024 -6.247 554 HG3 ARG 65 HG1 ARG 65 -15.121 3.803 -4.989 555 HD2 ARG 65 HD2 ARG 65 -14.744 1.448 -4.869 556 HD3 ARG 65 HD1 ARG 65 -15.692 1.946 -3.472 557 HE ARG 65 HE ARG 65 -17.539 1.154 -5.330 558 HH11 ARG 65 HH11 ARG 65 -14.801 -0.322 -3.754 559 HH12 ARG 65 HH12 ARG 65 -15.455 -1.924 -3.839 560 HH21 ARG 65 HH21 ARG 65 -18.404 -0.951 -5.446 561 HH22 ARG 65 HH22 ARG 65 -17.501 -2.282 -4.801 562 H ALA 66 HN ALA 66 -17.992 5.701 -2.999 563 HA ALA 66 HA ALA 66 -19.703 6.388 -1.658 564 HB1 ALA 66 HB1 ALA 66 -19.145 8.318 -3.285 565 HB2 ALA 66 HB2 ALA 66 -20.560 8.437 -2.241 566 HB3 ALA 66 HB3 ALA 66 -20.748 7.995 -3.940 567 H SER 67 HN SER 67 -20.207 4.153 -3.709 568 HA SER 67 HA SER 67 -22.800 3.458 -2.887 569 HB2 SER 67 HB2 SER 67 -24.004 3.652 -5.043 570 HB3 SER 67 HB1 SER 67 -23.529 5.232 -4.417 571 HG SER 67 HG SER 67 -21.654 4.069 -6.049 572 H GLY 68 HN GLY 68 -23.608 1.860 -5.039 573 HA2 GLY 68 HA2 GLY 68 -22.548 0.239 -6.570 574 HA3 GLY 68 HA1 GLY 68 -21.273 0.081 -5.371 575 H TYR 69 HN TYR 69 -21.556 -2.148 -5.191 576 HA TYR 69 HA TYR 69 -24.130 -3.229 -4.450 577 HB2 TYR 69 HB2 TYR 69 -22.391 -4.425 -5.871 578 HB3 TYR 69 HB1 TYR 69 -21.476 -4.664 -4.387 579 HD1 TYR 69 HD2 TYR 69 -24.604 -5.510 -6.150 580 HD2 TYR 69 HD1 TYR 69 -22.118 -6.323 -2.796 581 HE1 TYR 69 HE2 TYR 69 -25.914 -7.536 -5.676 582 HE2 TYR 69 HE1 TYR 69 -23.417 -8.349 -2.314 583 HH TYR 69 HH TYR 69 -25.620 -9.687 -4.513 584 H ARG 70 HN ARG 70 -24.623 -4.240 -2.473 585 HA ARG 70 HA ARG 70 -23.635 -2.881 -0.182 586 HB2 ARG 70 HB2 ARG 70 -25.632 -5.028 -0.693 587 HB3 ARG 70 HB1 ARG 70 -25.033 -4.839 0.947 588 HG2 ARG 70 HG2 ARG 70 -25.822 -2.612 1.072 589 HG3 ARG 70 HG1 ARG 70 -26.196 -2.577 -0.653 590 HD2 ARG 70 HD2 ARG 70 -27.835 -4.435 -0.217 591 HD3 ARG 70 HD1 ARG 70 -27.557 -4.172 1.505 592 HE ARG 70 HE ARG 70 -28.218 -1.710 0.604 593 HH11 ARG 70 HH11 ARG 70 -29.718 -4.843 0.313 594 HH12 ARG 70 HH12 ARG 70 -31.327 -4.207 0.236 595 HH21 ARG 70 HH21 ARG 70 -30.335 -0.866 0.501 596 HH22 ARG 70 HH22 ARG 70 -31.677 -1.947 0.341 597 H LYS 71 HN LYS 71 -23.490 -4.710 1.807 598 HA LYS 71 HA LYS 71 -20.809 -5.566 1.667 599 HB2 LYS 71 HB2 LYS 71 -22.247 -5.018 3.734 600 HB3 LYS 71 HB1 LYS 71 -22.822 -6.674 3.612 601 HG2 LYS 71 HG2 LYS 71 -19.895 -6.041 3.750 602 HG3 LYS 71 HG1 LYS 71 -20.884 -6.183 5.204 603 HD2 LYS 71 HD2 LYS 71 -21.541 -8.457 4.494 604 HD3 LYS 71 HD1 LYS 71 -20.472 -8.306 3.099 605 HE2 LYS 71 HE2 LYS 71 -19.629 -8.177 5.992 606 HE3 LYS 71 HE1 LYS 71 -19.412 -9.557 4.916 607 HZ1 LYS 71 HZ1 LYS 71 -17.393 -8.244 5.101 608 HZ2 LYS 71 HZ2 LYS 71 -18.203 -6.869 4.542 609 HZ3 LYS 71 HZ3 LYS 71 -17.988 -8.198 3.518 610 H1 ALA 15 HT1 ALA 15 16.058 17.648 -1.532 611 H2 ALA 15 HT2 ALA 15 15.260 16.341 -0.817 612 H3 ALA 15 HT3 ALA 15 16.577 16.070 -1.843 613 HA ALA 15 HA ALA 15 17.333 15.763 0.354 614 HB1 ALA 15 HB1 ALA 15 19.092 17.451 0.497 615 HB2 ALA 15 HB2 ALA 15 18.237 18.444 -0.682 616 HB3 ALA 15 HB3 ALA 15 18.880 16.871 -1.154 617 HA PRO 16 HA PRO 16 15.928 19.468 3.025 618 HB2 PRO 16 HB2 PRO 16 14.483 21.472 1.990 619 HB3 PRO 16 HB1 PRO 16 16.245 21.427 1.831 620 HG2 PRO 16 HG2 PRO 16 14.142 20.679 -0.164 621 HG3 PRO 16 HG1 PRO 16 15.641 21.595 -0.407 622 HD2 PRO 16 HD2 PRO 16 15.360 18.928 -0.987 623 HD3 PRO 16 HD1 PRO 16 16.908 19.699 -0.593 624 H ARG 17 HN ARG 17 13.841 18.045 0.696 625 HA ARG 17 HA ARG 17 11.862 17.482 2.713 626 HB2 ARG 17 HB2 ARG 17 11.143 19.705 1.933 627 HB3 ARG 17 HB1 ARG 17 11.093 19.107 0.281 628 HG2 ARG 17 HG2 ARG 17 9.321 17.547 0.887 629 HG3 ARG 17 HG1 ARG 17 9.379 18.125 2.554 630 HD2 ARG 17 HD2 ARG 17 8.727 20.351 1.824 631 HD3 ARG 17 HD1 ARG 17 8.727 19.818 0.145 632 HE ARG 17 HE ARG 17 6.988 18.210 1.691 633 HH11 ARG 17 HH11 ARG 17 7.250 21.382 0.273 634 HH12 ARG 17 HH12 ARG 17 5.538 21.593 0.112 635 HH21 ARG 17 HH21 ARG 17 4.732 18.481 1.484 636 HH22 ARG 17 HH22 ARG 17 4.108 19.946 0.804 637 H LYS 18 HN LYS 18 12.620 15.362 2.201 638 HA LYS 18 HA LYS 18 11.061 14.087 0.165 639 HB2 LYS 18 HB2 LYS 18 12.991 14.911 -1.156 640 HB3 LYS 18 HB1 LYS 18 14.072 14.008 -0.103 641 HG2 LYS 18 HG2 LYS 18 13.016 11.919 -0.816 642 HG3 LYS 18 HG1 LYS 18 11.947 12.832 -1.884 643 HD2 LYS 18 HD2 LYS 18 13.909 13.670 -3.104 644 HD3 LYS 18 HD1 LYS 18 14.958 12.717 -2.052 645 HE2 LYS 18 HE2 LYS 18 14.580 11.578 -4.173 646 HE3 LYS 18 HE1 LYS 18 13.886 10.667 -2.834 647 HZ1 LYS 18 HZ1 LYS 18 11.713 11.576 -3.400 648 HZ2 LYS 18 HZ2 LYS 18 12.378 10.738 -4.709 649 HZ3 LYS 18 HZ3 LYS 18 12.387 12.429 -4.696 650 H GLN 19 HN GLN 19 13.243 14.051 2.823 651 HA GLN 19 HA GLN 19 12.462 11.277 3.403 652 HB2 GLN 19 HB2 GLN 19 15.217 12.440 3.855 653 HB3 GLN 19 HB1 GLN 19 14.698 10.815 4.280 654 HG2 GLN 19 HG2 GLN 19 14.419 10.241 1.964 655 HG3 GLN 19 HG1 GLN 19 14.767 11.899 1.475 656 HE21 GLN 19 HE21 GLN 19 16.881 12.665 1.587 657 HE22 GLN 19 HE22 GLN 19 18.235 11.600 1.719 658 H LEU 20 HN LEU 20 10.892 12.937 4.524 659 HA LEU 20 HA LEU 20 11.965 13.547 7.198 660 HB2 LEU 20 HB2 LEU 20 9.592 14.785 5.801 661 HB3 LEU 20 HB1 LEU 20 10.177 15.209 7.399 662 HG LEU 20 HG LEU 20 11.708 15.608 4.826 663 HD11 LEU 20 HD11 LEU 20 10.292 17.595 6.597 664 HD12 LEU 20 HD12 LEU 20 9.778 17.087 4.987 665 HD13 LEU 20 HD13 LEU 20 11.283 17.984 5.190 666 HD21 LEU 20 HD21 LEU 20 13.181 15.224 6.725 667 HD22 LEU 20 HD22 LEU 20 12.326 16.453 7.656 668 HD23 LEU 20 HD23 LEU 20 13.244 16.914 6.223 669 H ALA 21 HN ALA 21 8.780 12.897 5.729 670 HA ALA 21 HA ALA 21 8.283 10.952 7.886 671 HB1 ALA 21 HB1 ALA 21 5.978 11.675 8.011 672 HB2 ALA 21 HB2 ALA 21 6.246 12.847 6.722 673 HB3 ALA 21 HB3 ALA 21 7.047 13.053 8.279 674 H THR 22 HN THR 22 6.722 12.046 4.872 675 HA THR 22 HA THR 22 5.756 10.908 3.156 676 HB THR 22 HB THR 22 7.084 9.112 2.138 677 HG1 THR 22 HG1 THR 22 9.240 9.139 3.703 678 HG21 THR 22 HG21 THR 22 7.729 11.423 1.716 679 HG22 THR 22 HG22 THR 22 9.153 10.384 1.779 680 HG23 THR 22 HG23 THR 22 8.752 11.414 3.152 681 H LYS 23 HN LYS 23 5.434 8.328 2.437 682 HA LYS 23 HA LYS 23 4.200 7.014 4.760 683 HB2 LYS 23 HB2 LYS 23 2.942 7.429 2.043 684 HB3 LYS 23 HB1 LYS 23 2.277 6.394 3.299 685 HG2 LYS 23 HG2 LYS 23 1.658 8.175 4.631 686 HG3 LYS 23 HG1 LYS 23 2.834 9.267 3.893 687 HD2 LYS 23 HD2 LYS 23 0.422 8.167 2.454 688 HD3 LYS 23 HD1 LYS 23 0.447 9.724 3.284 689 HE2 LYS 23 HE2 LYS 23 2.215 8.898 0.983 690 HE3 LYS 23 HE1 LYS 23 0.847 10.007 0.898 691 HZ1 LYS 23 HZ1 LYS 23 2.017 11.506 2.391 692 HZ2 LYS 23 HZ2 LYS 23 2.941 11.200 1.009 693 HZ3 LYS 23 HZ3 LYS 23 3.330 10.442 2.470 694 H ALA 24 HN ALA 24 6.276 5.801 4.568 695 HA ALA 24 HA ALA 24 6.679 4.069 2.317 696 HB1 ALA 24 HB1 ALA 24 8.505 3.144 3.594 697 HB2 ALA 24 HB2 ALA 24 7.904 3.895 5.070 698 HB3 ALA 24 HB3 ALA 24 8.523 4.899 3.757 699 H ALA 25 HN ALA 25 6.503 1.712 2.347 700 HA ALA 25 HA ALA 25 5.191 0.406 4.519 701 HB1 ALA 25 HB1 ALA 25 3.259 1.575 3.765 702 HB2 ALA 25 HB2 ALA 25 3.085 -0.121 3.314 703 HB3 ALA 25 HB3 ALA 25 3.540 1.072 2.100 704 H ARG 26 HN ARG 26 6.094 -1.497 4.516 705 HA ARG 26 HA ARG 26 6.884 -3.522 3.910 706 HB2 ARG 26 HB2 ARG 26 4.405 -3.447 3.081 707 HB3 ARG 26 HB1 ARG 26 5.141 -3.483 1.489 708 HG2 ARG 26 HG2 ARG 26 4.432 -5.701 2.434 709 HG3 ARG 26 HG1 ARG 26 6.101 -5.605 1.872 710 HD2 ARG 26 HD2 ARG 26 5.745 -4.873 4.685 711 HD3 ARG 26 HD1 ARG 26 5.299 -6.544 4.312 712 HE ARG 26 HE ARG 26 7.936 -5.418 3.623 713 HH11 ARG 26 HH11 ARG 26 5.932 -7.956 4.924 714 HH12 ARG 26 HH12 ARG 26 7.262 -9.020 5.238 715 HH21 ARG 26 HH21 ARG 26 9.692 -6.814 4.035 716 HH22 ARG 26 HH22 ARG 26 9.398 -8.371 4.734 717 H MLY 27 HN MLY 27 7.335 -4.837 1.564 718 HA MLY 27 HA MLY 27 8.839 -5.126 -0.105 719 HB2 MLY 27 HB2 MLY 27 8.000 -2.346 -0.424 720 HB3 MLY 27 HB1 MLY 27 9.629 -2.636 -1.013 721 HG2 MLY 27 HG2 MLY 27 7.572 -4.592 -1.829 722 HG3 MLY 27 HG1 MLY 27 7.436 -2.972 -2.515 723 HD2 MLY 27 HD2 MLY 27 9.948 -4.644 -2.586 724 HD3 MLY 27 HD1 MLY 27 8.774 -4.557 -3.900 725 HE2 MLY 27 HE2 MLY 27 9.131 -2.064 -3.905 726 HE3 MLY 27 HE1 MLY 27 10.474 -2.329 -2.796 727 HH11 MLY 27 HH11 MLY 27 10.094 -1.334 -5.768 728 HH12 MLY 27 HH12 MLY 27 11.565 -1.090 -4.830 729 HH13 MLY 27 HH13 MLY 27 11.626 -1.992 -6.345 730 HH21 MLY 27 HH21 MLY 27 12.718 -3.777 -5.073 731 HH22 MLY 27 HH22 MLY 27 12.522 -2.901 -3.558 732 HH23 MLY 27 HH23 MLY 27 11.874 -4.534 -3.721 733 HZ MLY 27 HZ MLY 27 10.312 -3.732 -5.358 734 H SER 28 HN SER 28 9.695 -5.178 2.450 735 HA SER 28 HA SER 28 12.289 -3.800 2.408 736 HB2 SER 28 HB2 SER 28 12.264 -4.220 4.891 737 HB3 SER 28 HB1 SER 28 11.041 -3.095 4.307 738 HG SER 28 HG SER 28 9.506 -4.484 4.794 739 H ALA 29 HN ALA 29 11.169 -6.616 4.249 740 HA ALA 29 HA ALA 29 13.608 -7.967 4.081 741 HB1 ALA 29 HB1 ALA 29 12.368 -9.931 4.906 742 HB2 ALA 29 HB2 ALA 29 10.855 -9.070 4.622 743 HB3 ALA 29 HB3 ALA 29 12.003 -8.465 5.816 744 HA PRO 30 HA PRO 30 13.506 -9.738 0.015 745 HB2 PRO 30 HB2 PRO 30 15.094 -11.910 0.390 746 HB3 PRO 30 HB1 PRO 30 15.725 -10.263 0.296 747 HG2 PRO 30 HG2 PRO 30 15.162 -11.941 2.709 748 HG3 PRO 30 HG1 PRO 30 16.554 -10.895 2.374 749 HD2 PRO 30 HD2 PRO 30 14.507 -10.128 3.970 750 HD3 PRO 30 HD1 PRO 30 15.417 -8.981 2.969 Start of MODEL 16 1 H MET 1 HT1 MET 1 27.841 -6.874 2.816 2 HA MET 1 HA MET 1 28.219 -8.272 0.891 3 HB2 MET 1 HB2 MET 1 27.802 -9.383 3.614 4 HB3 MET 1 HB1 MET 1 28.056 -10.539 2.312 5 HG2 MET 1 HG2 MET 1 30.159 -9.418 1.746 6 HG3 MET 1 HG1 MET 1 29.902 -8.279 3.066 7 HE1 MET 1 HE1 MET 1 29.083 -12.155 3.096 8 HE2 MET 1 HE2 MET 1 30.628 -12.801 3.652 9 HE3 MET 1 HE3 MET 1 30.517 -12.005 2.080 10 H GLU 2 HN GLU 2 25.960 -10.258 2.709 11 HA GLU 2 HA GLU 2 24.559 -10.826 0.197 12 HB2 GLU 2 HB2 GLU 2 23.823 -12.887 1.751 13 HB3 GLU 2 HB1 GLU 2 25.265 -12.905 0.745 14 HG2 GLU 2 HG2 GLU 2 25.857 -13.718 2.897 15 HG3 GLU 2 HG1 GLU 2 26.568 -12.116 2.694 16 H LEU 3 HN LEU 3 22.243 -11.372 0.386 17 HA LEU 3 HA LEU 3 20.913 -10.144 2.690 18 HB2 LEU 3 HB2 LEU 3 21.188 -8.575 0.645 19 HB3 LEU 3 HB1 LEU 3 19.951 -9.571 -0.095 20 HG LEU 3 HG LEU 3 19.522 -8.228 2.564 21 HD11 LEU 3 HD11 LEU 3 20.090 -6.485 0.977 22 HD12 LEU 3 HD12 LEU 3 18.366 -6.441 1.344 23 HD13 LEU 3 HD13 LEU 3 18.925 -7.131 -0.179 24 HD21 LEU 3 HD21 LEU 3 17.970 -10.003 2.055 25 HD22 LEU 3 HD22 LEU 3 17.665 -9.324 0.456 26 HD23 LEU 3 HD23 LEU 3 17.150 -8.450 1.899 27 H SER 4 HN SER 4 19.835 -11.817 3.507 28 HA SER 4 HA SER 4 17.810 -13.113 1.903 29 HB2 SER 4 HB2 SER 4 18.564 -15.406 2.466 30 HB3 SER 4 HB1 SER 4 19.727 -14.557 1.449 31 HG SER 4 HG SER 4 21.126 -14.526 3.049 32 H ALA 5 HN ALA 5 19.222 -12.200 4.870 33 HA ALA 5 HA ALA 5 17.229 -13.566 6.493 34 HB1 ALA 5 HB1 ALA 5 19.471 -11.718 7.301 35 HB2 ALA 5 HB2 ALA 5 19.526 -13.481 7.307 36 HB3 ALA 5 HB3 ALA 5 18.438 -12.630 8.403 37 H ILE 6 HN ILE 6 17.914 -10.429 5.187 38 HA ILE 6 HA ILE 6 16.189 -8.931 6.879 39 HB ILE 6 HB ILE 6 17.206 -8.302 4.104 40 HG12 ILE 6 HG12 ILE 6 18.146 -7.361 6.823 41 HG13 ILE 6 HG11 ILE 6 18.956 -8.574 5.837 42 HG21 ILE 6 HG21 ILE 6 15.206 -7.023 4.545 43 HG22 ILE 6 HG22 ILE 6 16.613 -5.964 4.646 44 HG23 ILE 6 HG23 ILE 6 15.830 -6.532 6.121 45 HD11 ILE 6 HD11 ILE 6 20.055 -6.422 5.657 46 HD12 ILE 6 HD12 ILE 6 18.552 -5.682 5.106 47 HD13 ILE 6 HD13 ILE 6 19.355 -6.896 4.109 48 H GLY 7 HN GLY 7 14.101 -9.490 7.018 49 HA2 GLY 7 HA2 GLY 7 12.647 -10.205 4.573 50 HA3 GLY 7 HA1 GLY 7 12.092 -10.472 6.215 51 H GLU 8 HN GLU 8 12.845 -7.884 3.926 52 HA GLU 8 HA GLU 8 11.826 -5.891 3.473 53 HB2 GLU 8 HB2 GLU 8 9.536 -7.145 4.989 54 HB3 GLU 8 HB1 GLU 8 9.436 -5.634 4.098 55 HG2 GLU 8 HG2 GLU 8 9.891 -6.794 2.023 56 HG3 GLU 8 HG1 GLU 8 10.120 -8.308 2.893 57 H GLN 9 HN GLN 9 11.376 -3.843 4.357 58 HA GLN 9 HA GLN 9 11.298 -3.622 7.219 59 HB2 GLN 9 HB2 GLN 9 13.262 -1.938 7.077 60 HB3 GLN 9 HB1 GLN 9 13.613 -3.660 7.119 61 HG2 GLN 9 HG2 GLN 9 14.293 -3.724 4.935 62 HG3 GLN 9 HG1 GLN 9 13.346 -2.314 4.482 63 HE21 GLN 9 HE21 GLN 9 15.330 -2.326 7.331 64 HE22 GLN 9 HE22 GLN 9 16.545 -1.252 6.738 65 H VAL 10 HN VAL 10 12.250 -1.370 4.632 66 HA VAL 10 HA VAL 10 9.700 -0.002 4.764 67 HB VAL 10 HB VAL 10 12.256 1.276 5.698 68 HG11 VAL 10 HG11 VAL 10 9.605 2.551 5.052 69 HG12 VAL 10 HG12 VAL 10 11.173 2.907 4.329 70 HG13 VAL 10 HG13 VAL 10 10.858 3.339 6.010 71 HG21 VAL 10 HG21 VAL 10 9.875 0.226 7.029 72 HG22 VAL 10 HG22 VAL 10 10.350 1.843 7.562 73 HG23 VAL 10 HG23 VAL 10 11.500 0.508 7.663 74 H PHE 11 HN PHE 11 9.548 1.742 3.175 75 HA PHE 11 HA PHE 11 11.663 1.964 1.213 76 HB2 PHE 11 HB2 PHE 11 9.980 -0.035 0.718 77 HB3 PHE 11 HB1 PHE 11 8.980 1.270 0.097 78 HD1 PHE 11 HD2 PHE 11 11.413 2.945 -0.905 79 HD2 PHE 11 HD1 PHE 11 10.251 -1.124 -1.386 80 HE1 PHE 11 HE2 PHE 11 12.636 2.850 -3.037 81 HE2 PHE 11 HE1 PHE 11 11.473 -1.220 -3.518 82 HZ PHE 11 HZ PHE 11 12.666 0.767 -4.347 83 H ALA 12 HN ALA 12 9.313 2.898 -0.643 84 HA ALA 12 HA ALA 12 8.465 5.320 0.719 85 HB1 ALA 12 HB1 ALA 12 9.373 6.806 -1.010 86 HB2 ALA 12 HB2 ALA 12 10.184 5.430 -1.759 87 HB3 ALA 12 HB3 ALA 12 10.651 5.956 -0.142 88 H VAL 13 HN VAL 13 6.333 4.932 0.406 89 HA VAL 13 HA VAL 13 5.349 4.008 -2.160 90 HB VAL 13 HB VAL 13 3.646 4.872 0.168 91 HG11 VAL 13 HG11 VAL 13 3.100 2.743 -1.863 92 HG12 VAL 13 HG12 VAL 13 2.710 4.436 -2.164 93 HG13 VAL 13 HG13 VAL 13 1.958 3.581 -0.815 94 HG21 VAL 13 HG21 VAL 13 3.687 2.165 0.299 95 HG22 VAL 13 HG22 VAL 13 4.604 3.241 1.355 96 HG23 VAL 13 HG23 VAL 13 5.373 2.529 -0.063 97 H GLU 14 HN GLU 14 4.479 5.212 -3.701 98 HA GLU 14 HA GLU 14 4.364 8.066 -3.460 99 HB2 GLU 14 HB2 GLU 14 4.867 6.891 -5.615 100 HB3 GLU 14 HB1 GLU 14 3.220 6.274 -5.626 101 HG2 GLU 14 HG2 GLU 14 3.473 8.193 -7.100 102 HG3 GLU 14 HG1 GLU 14 2.353 8.536 -5.782 103 H SER 15 HN SER 15 2.144 5.365 -3.601 104 HA SER 15 HA SER 15 0.307 6.053 -1.757 105 HB2 SER 15 HB2 SER 15 -0.300 8.116 -2.744 106 HB3 SER 15 HB1 SER 15 -0.356 7.422 -4.364 107 HG SER 15 HG SER 15 -2.344 7.693 -2.666 108 H ILE 16 HN ILE 16 -1.512 4.684 -1.722 109 HA ILE 16 HA ILE 16 -1.152 2.211 -2.980 110 HB ILE 16 HB ILE 16 -3.763 3.207 -1.837 111 HG12 ILE 16 HG12 ILE 16 -1.360 2.001 -0.456 112 HG13 ILE 16 HG11 ILE 16 -2.053 3.597 -0.182 113 HG21 ILE 16 HG21 ILE 16 -4.121 0.832 -1.331 114 HG22 ILE 16 HG22 ILE 16 -2.601 0.437 -2.140 115 HG23 ILE 16 HG23 ILE 16 -3.942 1.118 -3.064 116 HD11 ILE 16 HD11 ILE 16 -2.597 1.921 1.552 117 HD12 ILE 16 HD12 ILE 16 -3.507 1.021 0.354 118 HD13 ILE 16 HD13 ILE 16 -4.006 2.652 0.804 119 H ARG 17 HN ARG 17 -2.541 1.108 -4.451 120 HA ARG 17 HA ARG 17 -3.866 2.865 -6.409 121 HB2 ARG 17 HB2 ARG 17 -1.744 0.901 -6.757 122 HB3 ARG 17 HB1 ARG 17 -3.131 0.568 -7.782 123 HG2 ARG 17 HG2 ARG 17 -2.963 3.014 -8.472 124 HG3 ARG 17 HG1 ARG 17 -1.359 2.977 -7.741 125 HD2 ARG 17 HD2 ARG 17 -0.721 1.137 -9.194 126 HD3 ARG 17 HD1 ARG 17 -2.336 1.108 -9.897 127 HE ARG 17 HE ARG 17 -0.716 3.539 -10.129 128 HH11 ARG 17 HH11 ARG 17 -2.290 0.807 -11.614 129 HH12 ARG 17 HH12 ARG 17 -2.140 1.432 -13.222 130 HH21 ARG 17 HH21 ARG 17 -0.516 4.369 -12.241 131 HH22 ARG 17 HH22 ARG 17 -1.132 3.457 -13.578 132 H LYS 18 HN LYS 18 -3.677 -0.398 -5.037 133 HA LYS 18 HA LYS 18 -6.569 -0.674 -5.453 134 HB2 LYS 18 HB2 LYS 18 -4.559 -2.819 -6.066 135 HB3 LYS 18 HB1 LYS 18 -6.296 -2.937 -6.245 136 HG2 LYS 18 HG2 LYS 18 -6.328 -1.489 -8.066 137 HG3 LYS 18 HG1 LYS 18 -4.716 -0.871 -7.711 138 HD2 LYS 18 HD2 LYS 18 -3.732 -2.977 -8.314 139 HD3 LYS 18 HD1 LYS 18 -5.322 -3.686 -8.552 140 HE2 LYS 18 HE2 LYS 18 -4.318 -1.329 -10.097 141 HE3 LYS 18 HE1 LYS 18 -4.127 -2.990 -10.650 142 HZ1 LYS 18 HZ1 LYS 18 -6.073 -1.941 -11.628 143 HZ2 LYS 18 HZ2 LYS 18 -6.713 -1.636 -10.093 144 HZ3 LYS 18 HZ3 LYS 18 -6.532 -3.228 -10.630 145 H LYS 19 HN LYS 19 -7.366 -2.739 -4.329 146 HA LYS 19 HA LYS 19 -5.867 -3.493 -1.953 147 HB2 LYS 19 HB2 LYS 19 -7.088 -1.695 -0.995 148 HB3 LYS 19 HB1 LYS 19 -8.557 -2.142 -1.843 149 HG2 LYS 19 HG2 LYS 19 -8.653 -4.214 -0.505 150 HG3 LYS 19 HG1 LYS 19 -7.230 -3.677 0.381 151 HD2 LYS 19 HD2 LYS 19 -8.418 -1.806 1.270 152 HD3 LYS 19 HD1 LYS 19 -9.808 -2.127 0.231 153 HE2 LYS 19 HE2 LYS 19 -10.153 -4.261 1.375 154 HE3 LYS 19 HE1 LYS 19 -8.785 -3.935 2.421 155 HZ1 LYS 19 HZ1 LYS 19 -11.271 -2.318 2.273 156 HZ2 LYS 19 HZ2 LYS 19 -9.951 -1.995 3.280 157 HZ3 LYS 19 HZ3 LYS 19 -10.867 -3.398 3.511 158 H ARG 20 HN ARG 20 -5.909 -5.666 -2.021 159 HA ARG 20 HA ARG 20 -8.438 -6.932 -2.830 160 HB2 ARG 20 HB2 ARG 20 -7.357 -8.563 -4.050 161 HB3 ARG 20 HB1 ARG 20 -6.336 -7.171 -4.361 162 HG2 ARG 20 HG2 ARG 20 -4.624 -7.964 -3.017 163 HG3 ARG 20 HG1 ARG 20 -5.687 -9.072 -2.146 164 HD2 ARG 20 HD2 ARG 20 -5.985 -10.308 -4.318 165 HD3 ARG 20 HD1 ARG 20 -4.694 -9.306 -4.975 166 HE ARG 20 HE ARG 20 -3.808 -10.505 -2.596 167 HH11 ARG 20 HH11 ARG 20 -4.637 -11.337 -5.876 168 HH12 ARG 20 HH12 ARG 20 -3.579 -12.707 -5.933 169 HH21 ARG 20 HH21 ARG 20 -2.415 -12.309 -2.660 170 HH22 ARG 20 HH22 ARG 20 -2.316 -13.260 -4.105 171 H VAL 21 HN VAL 21 -9.330 -8.332 -1.463 172 HA VAL 21 HA VAL 21 -7.795 -9.022 0.952 173 HB VAL 21 HB VAL 21 -10.769 -8.569 0.652 174 HG11 VAL 21 HG11 VAL 21 -9.273 -9.315 3.160 175 HG12 VAL 21 HG12 VAL 21 -10.183 -10.473 2.184 176 HG13 VAL 21 HG13 VAL 21 -11.018 -9.127 2.962 177 HG21 VAL 21 HG21 VAL 21 -8.898 -7.180 2.530 178 HG22 VAL 21 HG22 VAL 21 -10.477 -6.650 1.937 179 HG23 VAL 21 HG23 VAL 21 -9.078 -6.630 0.861 180 H ARG 22 HN ARG 22 -8.047 -11.117 1.833 181 HA ARG 22 HA ARG 22 -9.372 -13.109 0.130 182 HB2 ARG 22 HB2 ARG 22 -6.898 -13.061 -0.298 183 HB3 ARG 22 HB1 ARG 22 -6.658 -13.488 1.387 184 HG2 ARG 22 HG2 ARG 22 -7.975 -15.549 1.006 185 HG3 ARG 22 HG1 ARG 22 -8.047 -15.129 -0.705 186 HD2 ARG 22 HD2 ARG 22 -5.598 -15.188 -0.815 187 HD3 ARG 22 HD1 ARG 22 -5.537 -15.621 0.893 188 HE ARG 22 HE ARG 22 -6.817 -17.336 -1.135 189 HH11 ARG 22 HH11 ARG 22 -4.726 -16.888 1.618 190 HH12 ARG 22 HH12 ARG 22 -4.407 -18.578 1.811 191 HH21 ARG 22 HH21 ARG 22 -6.406 -19.560 -0.884 192 HH22 ARG 22 HH22 ARG 22 -5.362 -20.098 0.389 193 H LYS 23 HN LYS 23 -11.041 -13.571 1.516 194 HA LYS 23 HA LYS 23 -12.119 -14.418 3.336 195 HB2 LYS 23 HB2 LYS 23 -9.376 -15.527 3.897 196 HB3 LYS 23 HB1 LYS 23 -10.811 -15.958 4.819 197 HG2 LYS 23 HG2 LYS 23 -11.712 -17.184 3.104 198 HG3 LYS 23 HG1 LYS 23 -10.853 -16.275 1.864 199 HD2 LYS 23 HD2 LYS 23 -9.895 -18.466 1.982 200 HD3 LYS 23 HD1 LYS 23 -8.738 -17.315 2.655 201 HE2 LYS 23 HE2 LYS 23 -9.647 -17.893 4.920 202 HE3 LYS 23 HE1 LYS 23 -10.549 -19.196 4.152 203 HZ1 LYS 23 HZ1 LYS 23 -7.594 -18.890 4.160 204 HZ2 LYS 23 HZ2 LYS 23 -8.443 -20.121 3.370 205 HZ3 LYS 23 HZ3 LYS 23 -8.481 -20.016 5.057 206 H GLY 24 HN GLY 24 -10.020 -12.008 3.409 207 HA2 GLY 24 HA2 GLY 24 -10.743 -10.323 5.167 208 HA3 GLY 24 HA1 GLY 24 -10.188 -11.540 6.304 209 H LYS 25 HN LYS 25 -8.064 -12.179 4.174 210 HA LYS 25 HA LYS 25 -6.005 -10.585 5.305 211 HB2 LYS 25 HB2 LYS 25 -5.874 -12.310 2.838 212 HB3 LYS 25 HB1 LYS 25 -4.519 -11.784 3.821 213 HG2 LYS 25 HG2 LYS 25 -5.164 -13.173 5.619 214 HG3 LYS 25 HG1 LYS 25 -6.731 -13.512 4.880 215 HD2 LYS 25 HD2 LYS 25 -5.301 -15.411 4.542 216 HD3 LYS 25 HD1 LYS 25 -5.546 -14.590 2.997 217 HE2 LYS 25 HE2 LYS 25 -3.391 -13.657 3.023 218 HE3 LYS 25 HE1 LYS 25 -3.166 -14.018 4.733 219 HZ1 LYS 25 HZ1 LYS 25 -3.339 -16.028 2.552 220 HZ2 LYS 25 HZ2 LYS 25 -3.110 -16.373 4.192 221 HZ3 LYS 25 HZ3 LYS 25 -1.917 -15.539 3.328 222 H VAL 26 HN VAL 26 -6.036 -8.454 4.867 223 HA VAL 26 HA VAL 26 -6.837 -7.477 2.277 224 HB VAL 26 HB VAL 26 -5.742 -5.940 4.624 225 HG11 VAL 26 HG11 VAL 26 -7.272 -4.993 2.204 226 HG12 VAL 26 HG12 VAL 26 -5.541 -4.769 2.467 227 HG13 VAL 26 HG13 VAL 26 -6.703 -3.990 3.539 228 HG21 VAL 26 HG21 VAL 26 -8.591 -5.903 3.857 229 HG22 VAL 26 HG22 VAL 26 -7.853 -5.695 5.445 230 HG23 VAL 26 HG23 VAL 26 -7.999 -7.307 4.740 231 H GLU 27 HN GLU 27 -5.634 -6.415 0.810 232 HA GLU 27 HA GLU 27 -2.738 -6.217 1.173 233 HB2 GLU 27 HB2 GLU 27 -4.105 -7.399 -1.253 234 HB3 GLU 27 HB1 GLU 27 -2.385 -7.063 -1.121 235 HG2 GLU 27 HG2 GLU 27 -2.872 -8.608 1.087 236 HG3 GLU 27 HG1 GLU 27 -3.934 -9.307 -0.129 237 H TYR 28 HN TYR 28 -1.778 -4.687 -0.413 238 HA TYR 28 HA TYR 28 -3.735 -2.842 -1.562 239 HB2 TYR 28 HB2 TYR 28 -1.658 -2.163 0.495 240 HB3 TYR 28 HB1 TYR 28 -2.298 -0.942 -0.588 241 HD1 TYR 28 HD1 TYR 28 -5.012 -1.032 -0.698 242 HD2 TYR 28 HD2 TYR 28 -2.622 -2.278 2.593 243 HE1 TYR 28 HE1 TYR 28 -6.914 -0.706 0.808 244 HE2 TYR 28 HE2 TYR 28 -4.522 -1.937 4.102 245 HH TYR 28 HH TYR 28 -7.693 -1.478 2.998 246 H LEU 29 HN LEU 29 -3.200 -2.798 -3.670 247 HA LEU 29 HA LEU 29 -0.583 -3.254 -4.654 248 HB2 LEU 29 HB2 LEU 29 -2.826 -3.457 -5.924 249 HB3 LEU 29 HB1 LEU 29 -2.732 -1.723 -6.116 250 HG LEU 29 HG LEU 29 -1.916 -3.265 -8.036 251 HD11 LEU 29 HD11 LEU 29 -1.716 -0.817 -7.898 252 HD12 LEU 29 HD12 LEU 29 -0.383 -1.581 -8.757 253 HD13 LEU 29 HD13 LEU 29 -0.159 -1.015 -7.101 254 HD21 LEU 29 HD21 LEU 29 0.553 -3.194 -6.336 255 HD22 LEU 29 HD22 LEU 29 0.406 -3.880 -7.953 256 HD23 LEU 29 HD23 LEU 29 -0.436 -4.629 -6.592 257 H VAL 30 HN VAL 30 0.777 -1.878 -3.520 258 HA VAL 30 HA VAL 30 0.324 0.956 -3.454 259 HB VAL 30 HB VAL 30 2.657 0.978 -2.453 260 HG11 VAL 30 HG11 VAL 30 1.886 0.097 -0.310 261 HG12 VAL 30 HG12 VAL 30 0.549 -0.719 -1.123 262 HG13 VAL 30 HG13 VAL 30 0.625 1.043 -1.101 263 HG21 VAL 30 HG21 VAL 30 3.566 -1.143 -1.696 264 HG22 VAL 30 HG22 VAL 30 3.426 -1.125 -3.454 265 HG23 VAL 30 HG23 VAL 30 2.247 -2.008 -2.486 266 H LYS 31 HN LYS 31 1.030 2.467 -4.792 267 HA LYS 31 HA LYS 31 2.727 1.713 -7.034 268 HB2 LYS 31 HB2 LYS 31 0.664 3.053 -7.424 269 HB3 LYS 31 HB1 LYS 31 1.344 4.343 -6.442 270 HG2 LYS 31 HG2 LYS 31 3.034 4.793 -8.027 271 HG3 LYS 31 HG1 LYS 31 2.706 3.300 -8.907 272 HD2 LYS 31 HD2 LYS 31 1.759 5.094 -10.164 273 HD3 LYS 31 HD1 LYS 31 0.428 4.209 -9.420 274 HE2 LYS 31 HE2 LYS 31 0.003 6.557 -9.189 275 HE3 LYS 31 HE1 LYS 31 0.395 5.900 -7.600 276 HZ1 LYS 31 HZ1 LYS 31 1.516 8.000 -7.986 277 HZ2 LYS 31 HZ2 LYS 31 2.264 7.382 -9.371 278 HZ3 LYS 31 HZ3 LYS 31 2.646 6.748 -7.851 279 H TRP 32 HN TRP 32 4.828 1.820 -6.735 280 HA TRP 32 HA TRP 32 6.024 3.255 -4.585 281 HB2 TRP 32 HB2 TRP 32 7.222 1.765 -6.923 282 HB3 TRP 32 HB1 TRP 32 8.146 2.382 -5.557 283 HD1 TRP 32 HD1 TRP 32 6.594 -0.697 -6.676 284 HE1 TRP 32 HE1 TRP 32 6.153 -2.300 -4.712 285 HE3 TRP 32 HE3 TRP 32 7.238 2.564 -2.813 286 HZ2 TRP 32 HZ2 TRP 32 6.084 -2.191 -1.893 287 HZ3 TRP 32 HZ3 TRP 32 6.971 1.746 -0.511 288 HH2 TRP 32 HH2 TRP 32 6.398 -0.581 -0.064 289 H LYS 33 HN LYS 33 7.064 5.143 -4.535 290 HA LYS 33 HA LYS 33 6.566 7.140 -6.400 291 HB2 LYS 33 HB2 LYS 33 7.129 7.700 -4.140 292 HB3 LYS 33 HB1 LYS 33 8.703 6.932 -4.282 293 HG2 LYS 33 HG2 LYS 33 9.622 8.702 -5.341 294 HG3 LYS 33 HG1 LYS 33 8.136 9.093 -6.203 295 HD2 LYS 33 HD2 LYS 33 8.616 10.859 -4.647 296 HD3 LYS 33 HD1 LYS 33 7.196 9.969 -4.092 297 HE2 LYS 33 HE2 LYS 33 8.609 10.394 -2.202 298 HE3 LYS 33 HE1 LYS 33 8.671 8.672 -2.580 299 HZ1 LYS 33 HZ1 LYS 33 10.714 10.678 -3.369 300 HZ2 LYS 33 HZ2 LYS 33 10.776 9.019 -3.698 301 HZ3 LYS 33 HZ3 LYS 33 10.868 9.568 -2.101 302 H GLY 34 HN GLY 34 9.810 5.801 -5.724 303 HA2 GLY 34 HA2 GLY 34 10.847 6.838 -8.187 304 HA3 GLY 34 HA1 GLY 34 11.705 5.824 -7.041 305 H TRP 35 HN TRP 35 8.650 4.757 -8.340 306 HA TRP 35 HA TRP 35 9.989 3.128 -10.367 307 HB2 TRP 35 HB2 TRP 35 8.375 2.010 -8.084 308 HB3 TRP 35 HB1 TRP 35 8.738 1.100 -9.539 309 HD1 TRP 35 HD1 TRP 35 10.433 2.542 -6.411 310 HE1 TRP 35 HE1 TRP 35 12.694 1.354 -6.092 311 HE3 TRP 35 HE3 TRP 35 10.564 -0.142 -10.762 312 HZ2 TRP 35 HZ2 TRP 35 14.316 -0.482 -7.497 313 HZ3 TRP 35 HZ3 TRP 35 12.503 -1.590 -11.196 314 HH2 TRP 35 HH2 TRP 35 14.340 -1.755 -9.597 315 HA PRO 36 HA PRO 36 6.233 3.853 -12.534 316 HB2 PRO 36 HB2 PRO 36 6.443 1.948 -14.442 317 HB3 PRO 36 HB1 PRO 36 7.424 3.404 -14.439 318 HG2 PRO 36 HG2 PRO 36 8.159 0.661 -13.780 319 HG3 PRO 36 HG1 PRO 36 9.169 1.982 -14.348 320 HD2 PRO 36 HD2 PRO 36 8.945 1.052 -11.723 321 HD3 PRO 36 HD1 PRO 36 9.789 2.489 -12.254 322 HA PRO 37 HA PRO 37 2.961 1.283 -11.056 323 HB2 PRO 37 HB2 PRO 37 1.451 0.985 -13.382 324 HB3 PRO 37 HB1 PRO 37 1.318 2.319 -12.235 325 HG2 PRO 37 HG2 PRO 37 2.791 2.185 -14.826 326 HG3 PRO 37 HG1 PRO 37 1.891 3.535 -14.113 327 HD2 PRO 37 HD2 PRO 37 4.566 3.476 -14.072 328 HD3 PRO 37 HD1 PRO 37 3.640 4.114 -12.696 329 H LYS 38 HN LYS 38 4.910 0.370 -13.724 330 HA LYS 38 HA LYS 38 3.892 -2.208 -14.216 331 HB2 LYS 38 HB2 LYS 38 6.485 -0.858 -14.779 332 HB3 LYS 38 HB1 LYS 38 6.272 -2.572 -15.118 333 HG2 LYS 38 HG2 LYS 38 5.653 -1.688 -17.103 334 HG3 LYS 38 HG1 LYS 38 4.092 -1.737 -16.309 335 HD2 LYS 38 HD2 LYS 38 4.277 0.399 -17.326 336 HD3 LYS 38 HD1 LYS 38 4.517 0.638 -15.594 337 HE2 LYS 38 HE2 LYS 38 6.388 1.711 -16.123 338 HE3 LYS 38 HE1 LYS 38 7.061 0.142 -16.549 339 HZ1 LYS 38 HZ1 LYS 38 6.345 0.472 -18.820 340 HZ2 LYS 38 HZ2 LYS 38 7.322 1.765 -18.334 341 HZ3 LYS 38 HZ3 LYS 38 5.646 1.961 -18.424 342 H TYR 39 HN TYR 39 6.136 -0.960 -11.851 343 HA TYR 39 HA TYR 39 6.763 -3.681 -10.964 344 HB2 TYR 39 HB2 TYR 39 8.047 -1.049 -10.218 345 HB3 TYR 39 HB1 TYR 39 8.557 -2.633 -9.659 346 HD1 TYR 39 HD1 TYR 39 8.202 -0.500 -12.582 347 HD2 TYR 39 HD2 TYR 39 9.978 -4.015 -11.021 348 HE1 TYR 39 HE1 TYR 39 9.610 -0.632 -14.570 349 HE2 TYR 39 HE2 TYR 39 11.415 -4.183 -13.018 350 HH TYR 39 HH TYR 39 11.396 -3.407 -15.371 351 H SER 40 HN SER 40 4.317 -1.791 -10.368 352 HA SER 40 HA SER 40 4.173 -1.162 -7.687 353 HB2 SER 40 HB2 SER 40 1.914 -2.536 -9.155 354 HB3 SER 40 HB1 SER 40 1.787 -1.389 -7.825 355 HG SER 40 HG SER 40 1.423 -0.162 -9.573 356 H THR 41 HN THR 41 3.329 -2.352 -5.830 357 HA THR 41 HA THR 41 3.528 -5.263 -6.130 358 HB THR 41 HB THR 41 4.879 -5.499 -4.127 359 HG1 THR 41 HG1 THR 41 5.062 -3.885 -2.776 360 HG21 THR 41 HG21 THR 41 5.957 -5.090 -6.388 361 HG22 THR 41 HG22 THR 41 6.967 -4.766 -4.981 362 HG23 THR 41 HG23 THR 41 6.222 -3.430 -5.858 363 H TRP 42 HN TRP 42 2.560 -6.497 -4.449 364 HA TRP 42 HA TRP 42 0.268 -5.126 -3.261 365 HB2 TRP 42 HB2 TRP 42 0.879 -8.011 -3.864 366 HB3 TRP 42 HB1 TRP 42 -0.449 -7.557 -2.802 367 HD1 TRP 42 HD1 TRP 42 0.455 -7.906 -6.419 368 HE1 TRP 42 HE1 TRP 42 -1.554 -7.231 -7.880 369 HE3 TRP 42 HE3 TRP 42 -2.479 -5.759 -2.826 370 HZ2 TRP 42 HZ2 TRP 42 -4.058 -5.956 -7.545 371 HZ3 TRP 42 HZ3 TRP 42 -4.667 -4.842 -3.478 372 HH2 TRP 42 HH2 TRP 42 -5.431 -4.942 -5.798 373 H GLU 43 HN GLU 43 0.717 -4.319 -1.312 374 HA GLU 43 HA GLU 43 2.253 -5.979 0.567 375 HB2 GLU 43 HB2 GLU 43 1.803 -2.991 0.528 376 HB3 GLU 43 HB1 GLU 43 2.649 -3.853 1.806 377 HG2 GLU 43 HG2 GLU 43 3.481 -3.696 -1.083 378 HG3 GLU 43 HG1 GLU 43 4.211 -2.823 0.265 379 HA PRO 44 HA PRO 44 -1.733 -6.774 2.506 380 HB2 PRO 44 HB2 PRO 44 -0.509 -7.521 4.926 381 HB3 PRO 44 HB1 PRO 44 -1.016 -8.603 3.627 382 HG2 PRO 44 HG2 PRO 44 1.672 -7.490 4.225 383 HG3 PRO 44 HG1 PRO 44 1.234 -9.069 3.551 384 HD2 PRO 44 HD2 PRO 44 2.249 -7.136 2.008 385 HD3 PRO 44 HD1 PRO 44 0.967 -8.210 1.405 386 H GLU 45 HN GLU 45 -3.002 -5.751 3.967 387 HA GLU 45 HA GLU 45 -2.551 -3.095 4.539 388 HB2 GLU 45 HB2 GLU 45 -4.752 -4.055 4.482 389 HB3 GLU 45 HB1 GLU 45 -4.405 -5.083 5.858 390 HG2 GLU 45 HG2 GLU 45 -4.238 -2.120 6.126 391 HG3 GLU 45 HG1 GLU 45 -5.805 -2.911 6.130 392 H GLU 46 HN GLU 46 -1.331 -5.832 6.187 393 HA GLU 46 HA GLU 46 -0.890 -4.474 8.696 394 HB2 GLU 46 HB2 GLU 46 -0.053 -7.170 7.642 395 HB3 GLU 46 HB1 GLU 46 0.406 -6.579 9.233 396 HG2 GLU 46 HG2 GLU 46 -1.900 -6.446 9.898 397 HG3 GLU 46 HG1 GLU 46 -2.427 -6.888 8.279 398 H HIS 47 HN HIS 47 0.950 -5.302 5.822 399 HA HIS 47 HA HIS 47 3.496 -4.570 6.909 400 HB2 HIS 47 HB2 HIS 47 2.482 -5.298 4.194 401 HB3 HIS 47 HB1 HIS 47 4.070 -4.562 4.357 402 HD1 HIS 47 HD1 HIS 47 2.192 -7.481 5.947 403 HD2 HIS 47 HD2 HIS 47 5.989 -6.363 4.726 404 HE1 HIS 47 HE1 HIS 47 3.643 -9.496 6.358 405 HE2 HIS 47 HE2 HIS 47 5.932 -8.819 5.543 406 H ILE 48 HN ILE 48 0.941 -2.830 5.252 407 HA ILE 48 HA ILE 48 2.439 -0.614 4.375 408 HB ILE 48 HB ILE 48 -0.377 -0.411 5.459 409 HG12 ILE 48 HG12 ILE 48 -0.150 -2.317 3.836 410 HG13 ILE 48 HG11 ILE 48 -1.247 -1.046 3.317 411 HG21 ILE 48 HG21 ILE 48 -0.520 1.329 3.618 412 HG22 ILE 48 HG22 ILE 48 1.235 1.182 3.486 413 HG23 ILE 48 HG23 ILE 48 0.507 1.724 4.997 414 HD11 ILE 48 HD11 ILE 48 0.127 -0.364 1.625 415 HD12 ILE 48 HD12 ILE 48 0.456 -2.096 1.655 416 HD13 ILE 48 HD13 ILE 48 1.585 -0.970 2.410 417 H LEU 49 HN LEU 49 3.890 0.165 5.712 418 HA LEU 49 HA LEU 49 3.678 0.346 8.511 419 HB2 LEU 49 HB2 LEU 49 5.484 1.945 6.732 420 HB3 LEU 49 HB1 LEU 49 5.755 1.539 8.406 421 HG LEU 49 HG LEU 49 5.548 -0.577 6.294 422 HD11 LEU 49 HD11 LEU 49 7.229 0.901 5.509 423 HD12 LEU 49 HD12 LEU 49 8.012 -0.520 6.194 424 HD13 LEU 49 HD13 LEU 49 7.976 0.994 7.099 425 HD21 LEU 49 HD21 LEU 49 5.388 -1.383 8.491 426 HD22 LEU 49 HD22 LEU 49 6.736 -0.400 9.047 427 HD23 LEU 49 HD23 LEU 49 7.018 -1.749 7.944 428 H ASP 50 HN ASP 50 2.057 2.146 6.251 429 HA ASP 50 HA ASP 50 1.689 4.313 8.189 430 HB2 ASP 50 HB2 ASP 50 2.282 4.623 5.250 431 HB3 ASP 50 HB1 ASP 50 1.546 5.905 6.206 432 HA PRO 51 HA PRO 51 -2.531 2.929 7.262 433 HB2 PRO 51 HB2 PRO 51 -3.155 4.862 9.383 434 HB3 PRO 51 HB1 PRO 51 -3.544 3.143 9.295 435 HG2 PRO 51 HG2 PRO 51 -1.702 4.059 11.005 436 HG3 PRO 51 HG1 PRO 51 -1.489 2.508 10.170 437 HD2 PRO 51 HD2 PRO 51 -0.262 5.167 9.554 438 HD3 PRO 51 HD1 PRO 51 0.476 3.554 9.564 439 H ARG 52 HN ARG 52 -0.956 5.891 6.974 440 HA ARG 52 HA ARG 52 -3.168 7.554 6.337 441 HB2 ARG 52 HB2 ARG 52 -0.210 7.736 5.787 442 HB3 ARG 52 HB1 ARG 52 -1.335 8.921 5.138 443 HG2 ARG 52 HG2 ARG 52 -0.449 9.833 7.124 444 HG3 ARG 52 HG1 ARG 52 -2.099 9.338 7.492 445 HD2 ARG 52 HD2 ARG 52 -1.297 7.331 8.568 446 HD3 ARG 52 HD1 ARG 52 0.361 7.706 8.103 447 HE ARG 52 HE ARG 52 0.240 9.623 9.611 448 HH11 ARG 52 HH11 ARG 52 -2.179 7.138 9.972 449 HH12 ARG 52 HH12 ARG 52 -2.520 7.533 11.623 450 HH21 ARG 52 HH21 ARG 52 -0.206 10.149 11.783 451 HH22 ARG 52 HH22 ARG 52 -1.399 9.243 12.652 452 H LEU 53 HN LEU 53 -0.965 5.516 4.483 453 HA LEU 53 HA LEU 53 -1.863 6.131 1.904 454 HB2 LEU 53 HB2 LEU 53 -0.656 3.650 3.119 455 HB3 LEU 53 HB1 LEU 53 -0.983 3.805 1.422 456 HG LEU 53 HG LEU 53 0.736 5.849 2.759 457 HD11 LEU 53 HD11 LEU 53 1.612 3.126 1.826 458 HD12 LEU 53 HD12 LEU 53 1.705 3.758 3.468 459 HD13 LEU 53 HD13 LEU 53 2.700 4.462 2.192 460 HD21 LEU 53 HD21 LEU 53 0.603 4.670 -0.006 461 HD22 LEU 53 HD22 LEU 53 1.755 5.899 0.518 462 HD23 LEU 53 HD23 LEU 53 0.029 6.263 0.486 463 H VAL 54 HN VAL 54 -2.790 3.719 4.278 464 HA VAL 54 HA VAL 54 -4.753 2.371 2.790 465 HB VAL 54 HB VAL 54 -4.379 2.684 5.771 466 HG11 VAL 54 HG11 VAL 54 -6.598 1.618 4.331 467 HG12 VAL 54 HG12 VAL 54 -6.363 1.735 6.071 468 HG13 VAL 54 HG13 VAL 54 -5.783 0.319 5.193 469 HG21 VAL 54 HG21 VAL 54 -3.592 0.602 3.768 470 HG22 VAL 54 HG22 VAL 54 -3.583 0.302 5.505 471 HG23 VAL 54 HG23 VAL 54 -2.540 1.549 4.818 472 H MET 55 HN MET 55 -5.118 4.800 5.351 473 HA MET 55 HA MET 55 -7.847 5.105 5.310 474 HB2 MET 55 HB2 MET 55 -6.197 6.178 6.892 475 HB3 MET 55 HB1 MET 55 -5.918 7.386 5.658 476 HG2 MET 55 HG2 MET 55 -7.555 8.538 6.605 477 HG3 MET 55 HG1 MET 55 -8.647 7.359 5.893 478 HE1 MET 55 HE1 MET 55 -7.685 4.848 7.405 479 HE2 MET 55 HE2 MET 55 -9.442 5.022 7.432 480 HE3 MET 55 HE3 MET 55 -8.563 4.720 8.931 481 H ALA 56 HN ALA 56 -5.525 7.187 3.601 482 HA ALA 56 HA ALA 56 -7.342 8.664 2.123 483 HB1 ALA 56 HB1 ALA 56 -4.567 7.839 1.312 484 HB2 ALA 56 HB2 ALA 56 -4.978 9.234 2.305 485 HB3 ALA 56 HB3 ALA 56 -5.490 9.169 0.618 486 H TYR 57 HN TYR 57 -6.016 5.457 1.495 487 HA TYR 57 HA TYR 57 -6.833 5.193 -1.173 488 HB2 TYR 57 HB2 TYR 57 -5.345 3.554 -0.136 489 HB3 TYR 57 HB1 TYR 57 -6.633 3.041 0.946 490 HD1 TYR 57 HD1 TYR 57 -5.541 3.118 -2.564 491 HD2 TYR 57 HD2 TYR 57 -8.307 1.507 0.223 492 HE1 TYR 57 HE1 TYR 57 -6.331 1.531 -4.275 493 HE2 TYR 57 HE2 TYR 57 -9.100 -0.089 -1.466 494 HH TYR 57 HH TYR 57 -9.166 -0.310 -3.899 495 H GLU 58 HN GLU 58 -8.466 4.205 1.821 496 HA GLU 58 HA GLU 58 -10.881 3.428 0.584 497 HB2 GLU 58 HB2 GLU 58 -10.611 4.368 3.393 498 HB3 GLU 58 HB1 GLU 58 -11.779 3.232 2.760 499 HG2 GLU 58 HG2 GLU 58 -10.027 1.611 2.389 500 HG3 GLU 58 HG1 GLU 58 -8.817 2.761 2.951 501 H GLU 59 HN GLU 59 -9.528 6.452 1.153 502 HA GLU 59 HA GLU 59 -11.938 7.939 1.559 503 HB2 GLU 59 HB2 GLU 59 -10.426 9.467 2.172 504 HB3 GLU 59 HB1 GLU 59 -9.123 8.445 1.573 505 HG2 GLU 59 HG2 GLU 59 -9.343 9.419 -0.627 506 HG3 GLU 59 HG1 GLU 59 -10.689 10.415 -0.072 507 H LYS 60 HN LYS 60 -9.809 7.310 -1.203 508 HA LYS 60 HA LYS 60 -11.347 8.783 -3.078 509 HB2 LYS 60 HB2 LYS 60 -9.494 6.476 -3.675 510 HB3 LYS 60 HB1 LYS 60 -9.936 7.798 -4.744 511 HG2 LYS 60 HG2 LYS 60 -8.315 9.077 -3.968 512 HG3 LYS 60 HG1 LYS 60 -8.778 8.771 -2.293 513 HD2 LYS 60 HD2 LYS 60 -6.669 7.870 -2.343 514 HD3 LYS 60 HD1 LYS 60 -7.643 6.453 -2.730 515 HE2 LYS 60 HE2 LYS 60 -7.258 6.925 -5.139 516 HE3 LYS 60 HE1 LYS 60 -6.163 8.224 -4.669 517 HZ1 LYS 60 HZ1 LYS 60 -4.785 6.592 -3.528 518 HZ2 LYS 60 HZ2 LYS 60 -4.947 6.208 -5.167 519 HZ3 LYS 60 HZ3 LYS 60 -5.827 5.348 -4.007 520 H GLU 61 HN GLU 61 -11.221 5.404 -2.098 521 HA GLU 61 HA GLU 61 -13.014 4.406 -4.023 522 HB2 GLU 61 HB2 GLU 61 -12.380 3.365 -1.262 523 HB3 GLU 61 HB1 GLU 61 -13.224 2.465 -2.516 524 HG2 GLU 61 HG2 GLU 61 -10.396 3.477 -2.663 525 HG3 GLU 61 HG1 GLU 61 -10.897 1.814 -2.383 526 H GLU 62 HN GLU 62 -13.554 5.382 -0.641 527 HA GLU 62 HA GLU 62 -16.270 4.815 -0.520 528 HB2 GLU 62 HB2 GLU 62 -16.378 6.140 1.411 529 HB3 GLU 62 HB1 GLU 62 -14.713 5.586 1.365 530 HG2 GLU 62 HG2 GLU 62 -14.268 7.742 1.780 531 HG3 GLU 62 HG1 GLU 62 -14.467 7.904 0.037 532 H ARG 63 HN ARG 63 -14.594 7.608 -1.838 533 HA ARG 63 HA ARG 63 -16.786 9.284 -2.281 534 HB2 ARG 63 HB2 ARG 63 -14.083 8.991 -3.481 535 HB3 ARG 63 HB1 ARG 63 -15.258 9.990 -4.322 536 HG2 ARG 63 HG2 ARG 63 -14.444 10.348 -1.447 537 HG3 ARG 63 HG1 ARG 63 -13.799 11.264 -2.805 538 HD2 ARG 63 HD2 ARG 63 -16.099 12.034 -3.317 539 HD3 ARG 63 HD1 ARG 63 -16.660 11.209 -1.863 540 HE ARG 63 HE ARG 63 -14.576 13.251 -1.617 541 HH11 ARG 63 HH11 ARG 63 -17.856 12.215 -1.062 542 HH12 ARG 63 HH12 ARG 63 -18.197 13.474 0.077 543 HH21 ARG 63 HH21 ARG 63 -15.017 14.912 -0.118 544 HH22 ARG 63 HH22 ARG 63 -16.583 15.007 0.615 545 H ASP 64 HN ASP 64 -15.227 7.027 -4.551 546 HA ASP 64 HA ASP 64 -17.370 7.314 -6.464 547 HB2 ASP 64 HB2 ASP 64 -15.018 7.041 -7.177 548 HB3 ASP 64 HB1 ASP 64 -15.016 5.434 -6.479 549 H ARG 65 HN ARG 65 -15.904 4.452 -4.964 550 HA ARG 65 HA ARG 65 -17.771 2.572 -5.562 551 HB2 ARG 65 HB2 ARG 65 -16.308 2.801 -2.933 552 HB3 ARG 65 HB1 ARG 65 -17.074 1.346 -3.552 553 HG2 ARG 65 HG2 ARG 65 -15.501 1.716 -5.594 554 HG3 ARG 65 HG1 ARG 65 -14.582 2.704 -4.456 555 HD2 ARG 65 HD2 ARG 65 -13.731 0.438 -4.474 556 HD3 ARG 65 HD1 ARG 65 -14.463 0.814 -2.918 557 HE ARG 65 HE ARG 65 -16.300 -0.452 -4.700 558 HH11 ARG 65 HH11 ARG 65 -13.684 -1.041 -2.474 559 HH12 ARG 65 HH12 ARG 65 -14.180 -2.661 -2.120 560 HH21 ARG 65 HH21 ARG 65 -16.959 -2.586 -4.240 561 HH22 ARG 65 HH22 ARG 65 -16.042 -3.541 -3.123 562 H ALA 66 HN ALA 66 -18.029 5.056 -3.111 563 HA ALA 66 HA ALA 66 -19.690 5.709 -1.722 564 HB1 ALA 66 HB1 ALA 66 -20.710 5.824 -4.043 565 HB2 ALA 66 HB2 ALA 66 -21.813 5.861 -2.665 566 HB3 ALA 66 HB3 ALA 66 -21.608 4.373 -3.593 567 H SER 67 HN SER 67 -21.408 2.812 -2.821 568 HA SER 67 HA SER 67 -21.552 1.938 -0.027 569 HB2 SER 67 HB2 SER 67 -23.707 2.245 -1.145 570 HB3 SER 67 HB1 SER 67 -23.220 1.130 -2.422 571 HG SER 67 HG SER 67 -23.077 0.206 0.200 572 H GLY 68 HN GLY 68 -21.541 0.248 -3.172 573 HA2 GLY 68 HA2 GLY 68 -19.126 -1.117 -2.764 574 HA3 GLY 68 HA1 GLY 68 -20.430 -2.125 -2.155 575 H TYR 69 HN TYR 69 -20.670 -3.705 -3.601 576 HA TYR 69 HA TYR 69 -20.130 -3.503 -6.348 577 HB2 TYR 69 HB2 TYR 69 -21.848 -5.483 -4.844 578 HB3 TYR 69 HB1 TYR 69 -21.361 -5.666 -6.526 579 HD1 TYR 69 HD1 TYR 69 -20.198 -5.691 -3.039 580 HD2 TYR 69 HD2 TYR 69 -19.114 -6.316 -7.104 581 HE1 TYR 69 HE1 TYR 69 -18.126 -6.783 -2.310 582 HE2 TYR 69 HE2 TYR 69 -17.034 -7.415 -6.386 583 HH TYR 69 HH TYR 69 -16.480 -8.368 -3.163 584 H ARG 70 HN ARG 70 -23.011 -2.860 -4.493 585 HA ARG 70 HA ARG 70 -24.805 -2.837 -6.717 586 HB2 ARG 70 HB2 ARG 70 -25.233 -2.997 -4.096 587 HB3 ARG 70 HB1 ARG 70 -25.398 -1.257 -4.259 588 HG2 ARG 70 HG2 ARG 70 -27.164 -1.580 -5.897 589 HG3 ARG 70 HG1 ARG 70 -26.961 -3.330 -5.770 590 HD2 ARG 70 HD2 ARG 70 -28.738 -2.937 -4.352 591 HD3 ARG 70 HD1 ARG 70 -27.370 -2.952 -3.247 592 HE ARG 70 HE ARG 70 -27.795 -0.318 -4.086 593 HH11 ARG 70 HH11 ARG 70 -29.366 -2.776 -2.177 594 HH12 ARG 70 HH12 ARG 70 -30.175 -1.641 -1.149 595 HH21 ARG 70 HH21 ARG 70 -28.856 1.181 -2.739 596 HH22 ARG 70 HH22 ARG 70 -29.886 0.609 -1.469 597 H LYS 71 HN LYS 71 -26.200 -0.453 -6.372 598 HA LYS 71 HA LYS 71 -24.297 1.452 -7.549 599 HB2 LYS 71 HB2 LYS 71 -26.191 0.772 -8.974 600 HB3 LYS 71 HB1 LYS 71 -27.313 1.370 -7.759 601 HG2 LYS 71 HG2 LYS 71 -26.446 3.634 -8.072 602 HG3 LYS 71 HG1 LYS 71 -25.323 3.032 -9.292 603 HD2 LYS 71 HD2 LYS 71 -27.234 4.000 -10.394 604 HD3 LYS 71 HD1 LYS 71 -27.262 2.252 -10.627 605 HE2 LYS 71 HE2 LYS 71 -29.485 3.124 -10.098 606 HE3 LYS 71 HE1 LYS 71 -28.907 2.025 -8.846 607 HZ1 LYS 71 HZ1 LYS 71 -28.857 4.992 -8.709 608 HZ2 LYS 71 HZ2 LYS 71 -28.281 3.946 -7.510 609 HZ3 LYS 71 HZ3 LYS 71 -29.932 3.979 -7.882 610 H1 ALA 15 HT1 ALA 15 1.680 25.246 -5.543 611 H2 ALA 15 HT2 ALA 15 3.058 24.518 -4.888 612 H3 ALA 15 HT3 ALA 15 1.524 23.914 -4.511 613 HA ALA 15 HA ALA 15 1.174 23.265 -6.800 614 HB1 ALA 15 HB1 ALA 15 4.015 24.175 -7.226 615 HB2 ALA 15 HB2 ALA 15 2.579 25.034 -7.783 616 HB3 ALA 15 HB3 ALA 15 2.954 23.434 -8.424 617 HA PRO 16 HA PRO 16 2.948 19.824 -4.261 618 HB2 PRO 16 HB2 PRO 16 0.860 18.477 -5.915 619 HB3 PRO 16 HB1 PRO 16 1.221 18.295 -4.193 620 HG2 PRO 16 HG2 PRO 16 -0.894 19.696 -4.975 621 HG3 PRO 16 HG1 PRO 16 0.105 20.252 -3.619 622 HD2 PRO 16 HD2 PRO 16 -0.002 21.253 -6.431 623 HD3 PRO 16 HD1 PRO 16 0.224 22.155 -4.918 624 H ARG 17 HN ARG 17 4.843 19.135 -5.016 625 HA ARG 17 HA ARG 17 5.089 18.364 -7.836 626 HB2 ARG 17 HB2 ARG 17 7.520 18.490 -7.445 627 HB3 ARG 17 HB1 ARG 17 6.711 19.999 -7.045 628 HG2 ARG 17 HG2 ARG 17 6.745 19.324 -4.657 629 HG3 ARG 17 HG1 ARG 17 7.692 17.907 -5.117 630 HD2 ARG 17 HD2 ARG 17 9.462 19.327 -5.963 631 HD3 ARG 17 HD1 ARG 17 8.504 20.768 -5.624 632 HE ARG 17 HE ARG 17 8.834 19.268 -3.261 633 HH11 ARG 17 HH11 ARG 17 10.635 21.289 -5.457 634 HH12 ARG 17 HH12 ARG 17 11.754 21.824 -4.247 635 HH21 ARG 17 HH21 ARG 17 10.302 19.968 -1.666 636 HH22 ARG 17 HH22 ARG 17 11.565 21.072 -2.094 637 H LYS 18 HN LYS 18 4.646 17.000 -4.808 638 HA LYS 18 HA LYS 18 4.766 14.895 -3.967 639 HB2 LYS 18 HB2 LYS 18 4.740 14.261 -6.917 640 HB3 LYS 18 HB1 LYS 18 4.668 13.023 -5.672 641 HG2 LYS 18 HG2 LYS 18 2.448 13.349 -6.261 642 HG3 LYS 18 HG1 LYS 18 2.631 14.304 -4.789 643 HD2 LYS 18 HD2 LYS 18 2.920 16.326 -6.144 644 HD3 LYS 18 HD1 LYS 18 2.731 15.366 -7.613 645 HE2 LYS 18 HE2 LYS 18 0.670 15.797 -5.455 646 HE3 LYS 18 HE1 LYS 18 0.645 16.465 -7.087 647 HZ1 LYS 18 HZ1 LYS 18 0.479 13.582 -6.390 648 HZ2 LYS 18 HZ2 LYS 18 0.475 14.212 -7.959 649 HZ3 LYS 18 HZ3 LYS 18 -0.807 14.552 -6.909 650 H GLN 19 HN GLN 19 7.010 15.814 -3.389 651 HA GLN 19 HA GLN 19 9.042 13.944 -4.413 652 HB2 GLN 19 HB2 GLN 19 9.446 16.272 -5.169 653 HB3 GLN 19 HB1 GLN 19 9.516 16.784 -3.489 654 HG2 GLN 19 HG2 GLN 19 11.470 15.402 -3.120 655 HG3 GLN 19 HG1 GLN 19 11.380 14.800 -4.774 656 HE21 GLN 19 HE21 GLN 19 10.609 17.408 -5.840 657 HE22 GLN 19 HE22 GLN 19 12.043 18.369 -5.837 658 H LEU 20 HN LEU 20 7.843 15.791 -1.658 659 HA LEU 20 HA LEU 20 9.639 14.451 0.179 660 HB2 LEU 20 HB2 LEU 20 7.461 16.498 0.529 661 HB3 LEU 20 HB1 LEU 20 8.241 15.733 1.900 662 HG LEU 20 HG LEU 20 10.442 16.595 0.980 663 HD11 LEU 20 HD11 LEU 20 8.585 18.249 -0.724 664 HD12 LEU 20 HD12 LEU 20 9.722 17.030 -1.301 665 HD13 LEU 20 HD13 LEU 20 10.320 18.505 -0.542 666 HD21 LEU 20 HD21 LEU 20 10.082 18.855 1.866 667 HD22 LEU 20 HD22 LEU 20 9.356 17.618 2.892 668 HD23 LEU 20 HD23 LEU 20 8.339 18.584 1.823 669 H ALA 21 HN ALA 21 9.165 12.332 0.383 670 HA ALA 21 HA ALA 21 6.555 11.245 0.354 671 HB1 ALA 21 HB1 ALA 21 8.551 9.942 -0.213 672 HB2 ALA 21 HB2 ALA 21 7.606 9.169 1.059 673 HB3 ALA 21 HB3 ALA 21 9.085 10.038 1.465 674 H THR 22 HN THR 22 5.143 10.757 1.953 675 HA THR 22 HA THR 22 5.896 11.544 4.694 676 HB THR 22 HB THR 22 3.507 12.083 5.074 677 HG1 THR 22 HG1 THR 22 2.419 12.423 2.840 678 HG21 THR 22 HG21 THR 22 4.796 13.557 2.773 679 HG22 THR 22 HG22 THR 22 5.046 13.876 4.489 680 HG23 THR 22 HG23 THR 22 3.467 14.169 3.759 681 H LYS 23 HN LYS 23 4.433 9.164 2.640 682 HA LYS 23 HA LYS 23 4.124 7.388 4.969 683 HB2 LYS 23 HB2 LYS 23 2.373 6.924 2.607 684 HB3 LYS 23 HB1 LYS 23 2.057 6.664 4.313 685 HG2 LYS 23 HG2 LYS 23 1.454 8.874 4.680 686 HG3 LYS 23 HG1 LYS 23 2.256 9.437 3.211 687 HD2 LYS 23 HD2 LYS 23 0.577 8.217 1.870 688 HD3 LYS 23 HD1 LYS 23 -0.244 7.752 3.361 689 HE2 LYS 23 HE2 LYS 23 -0.632 10.104 3.887 690 HE3 LYS 23 HE1 LYS 23 0.214 10.580 2.416 691 HZ1 LYS 23 HZ1 LYS 23 -2.268 8.951 2.500 692 HZ2 LYS 23 HZ2 LYS 23 -1.475 9.490 1.107 693 HZ3 LYS 23 HZ3 LYS 23 -2.201 10.606 2.150 694 H ALA 24 HN ALA 24 4.918 5.330 4.745 695 HA ALA 24 HA ALA 24 5.856 4.467 2.112 696 HB1 ALA 24 HB1 ALA 24 8.067 3.895 2.968 697 HB2 ALA 24 HB2 ALA 24 7.642 4.577 4.538 698 HB3 ALA 24 HB3 ALA 24 7.752 5.623 3.122 699 H ALA 25 HN ALA 25 6.445 2.195 2.024 700 HA ALA 25 HA ALA 25 5.119 0.594 4.115 701 HB1 ALA 25 HB1 ALA 25 4.553 -1.031 2.323 702 HB2 ALA 25 HB2 ALA 25 5.172 0.119 1.138 703 HB3 ALA 25 HB3 ALA 25 3.772 0.537 2.125 704 H ARG 26 HN ARG 26 5.858 -1.915 3.439 705 HA ARG 26 HA ARG 26 8.702 -1.857 4.056 706 HB2 ARG 26 HB2 ARG 26 6.711 -4.133 4.016 707 HB3 ARG 26 HB1 ARG 26 8.397 -4.294 4.483 708 HG2 ARG 26 HG2 ARG 26 8.031 -2.721 6.321 709 HG3 ARG 26 HG1 ARG 26 6.336 -2.588 5.859 710 HD2 ARG 26 HD2 ARG 26 5.934 -4.872 6.382 711 HD3 ARG 26 HD1 ARG 26 7.655 -5.194 6.585 712 HE ARG 26 HE ARG 26 7.157 -3.296 8.444 713 HH11 ARG 26 HH11 ARG 26 5.649 -6.345 7.685 714 HH12 ARG 26 HH12 ARG 26 5.153 -6.651 9.316 715 HH21 ARG 26 HH21 ARG 26 6.507 -3.692 10.592 716 HH22 ARG 26 HH22 ARG 26 5.640 -5.143 10.968 717 H MLY 27 HN MLY 27 7.213 -4.498 2.289 718 HA MLY 27 HA MLY 27 7.724 -5.545 0.345 719 HB2 MLY 27 HB2 MLY 27 7.183 -3.030 -0.402 720 HB3 MLY 27 HB1 MLY 27 8.865 -3.103 -0.908 721 HG2 MLY 27 HG2 MLY 27 7.178 -5.385 -1.710 722 HG3 MLY 27 HG1 MLY 27 6.801 -3.839 -2.466 723 HD2 MLY 27 HD2 MLY 27 9.593 -4.955 -2.375 724 HD3 MLY 27 HD1 MLY 27 8.464 -5.331 -3.677 725 HE2 MLY 27 HE2 MLY 27 8.206 -2.831 -3.989 726 HE3 MLY 27 HE1 MLY 27 9.582 -2.645 -2.903 727 HH11 MLY 27 HH11 MLY 27 10.262 -1.432 -5.009 728 HH12 MLY 27 HH12 MLY 27 10.782 -2.412 -6.376 729 HH13 MLY 27 HH13 MLY 27 9.062 -2.175 -6.066 730 HH21 MLY 27 HH21 MLY 27 11.411 -4.692 -3.682 731 HH22 MLY 27 HH22 MLY 27 12.083 -3.831 -5.063 732 HH23 MLY 27 HH23 MLY 27 11.694 -2.955 -3.582 733 HZ MLY 27 HZ MLY 27 9.701 -4.334 -5.296 734 H SER 28 HN SER 28 9.552 -6.121 -1.155 735 HA SER 28 HA SER 28 11.759 -6.991 0.168 736 HB2 SER 28 HB2 SER 28 11.217 -7.727 -2.093 737 HB3 SER 28 HB1 SER 28 11.627 -6.136 -2.733 738 HG SER 28 HG SER 28 13.745 -6.502 -2.309 739 H ALA 29 HN ALA 29 13.669 -6.229 0.840 740 HA ALA 29 HA ALA 29 14.051 -3.411 1.014 741 HB1 ALA 29 HB1 ALA 29 15.936 -5.637 1.772 742 HB2 ALA 29 HB2 ALA 29 14.713 -4.920 2.820 743 HB3 ALA 29 HB3 ALA 29 16.072 -3.946 2.257 744 HA PRO 30 HA PRO 30 17.772 -4.184 -1.960 745 HB2 PRO 30 HB2 PRO 30 17.805 -6.465 -3.419 746 HB3 PRO 30 HB1 PRO 30 18.557 -6.342 -1.824 747 HG2 PRO 30 HG2 PRO 30 15.899 -7.490 -2.581 748 HG3 PRO 30 HG1 PRO 30 17.114 -8.126 -1.457 749 HD2 PRO 30 HD2 PRO 30 14.904 -6.791 -0.627 750 HD3 PRO 30 HD1 PRO 30 16.446 -6.735 0.251 Start of MODEL 17 1 H MET 1 HT1 MET 1 13.818 -21.539 7.935 2 HA MET 1 HA MET 1 14.791 -23.442 5.882 3 HB2 MET 1 HB2 MET 1 12.814 -23.845 7.747 4 HB3 MET 1 HB1 MET 1 11.909 -23.184 6.389 5 HG2 MET 1 HG2 MET 1 11.813 -25.308 5.714 6 HG3 MET 1 HG1 MET 1 13.449 -25.016 5.129 7 HE1 MET 1 HE1 MET 1 15.622 -26.528 8.026 8 HE2 MET 1 HE2 MET 1 15.108 -24.851 7.844 9 HE3 MET 1 HE3 MET 1 15.648 -25.765 6.436 10 H GLU 2 HN GLU 2 12.173 -21.109 6.495 11 HA GLU 2 HA GLU 2 12.505 -20.147 3.736 12 HB2 GLU 2 HB2 GLU 2 10.057 -19.882 5.484 13 HB3 GLU 2 HB1 GLU 2 10.180 -19.519 3.767 14 HG2 GLU 2 HG2 GLU 2 10.541 -21.871 3.278 15 HG3 GLU 2 HG1 GLU 2 10.472 -22.251 4.999 16 H LEU 3 HN LEU 3 14.300 -18.851 4.756 17 HA LEU 3 HA LEU 3 15.172 -16.883 5.480 18 HB2 LEU 3 HB2 LEU 3 12.431 -15.967 4.638 19 HB3 LEU 3 HB1 LEU 3 13.695 -14.860 5.138 20 HG LEU 3 HG LEU 3 13.959 -16.773 2.818 21 HD11 LEU 3 HD11 LEU 3 13.242 -13.844 2.824 22 HD12 LEU 3 HD12 LEU 3 12.189 -15.179 2.353 23 HD13 LEU 3 HD13 LEU 3 13.620 -14.803 1.393 24 HD21 LEU 3 HD21 LEU 3 15.867 -15.379 2.219 25 HD22 LEU 3 HD22 LEU 3 16.075 -16.072 3.828 26 HD23 LEU 3 HD23 LEU 3 15.602 -14.382 3.649 27 H SER 4 HN SER 4 11.953 -15.903 6.492 28 HA SER 4 HA SER 4 11.005 -15.516 8.513 29 HB2 SER 4 HB2 SER 4 11.314 -17.016 10.252 30 HB3 SER 4 HB1 SER 4 11.864 -17.963 8.870 31 HG SER 4 HG SER 4 13.744 -18.065 9.779 32 H ALA 5 HN ALA 5 14.076 -14.636 7.699 33 HA ALA 5 HA ALA 5 14.764 -13.282 10.163 34 HB1 ALA 5 HB1 ALA 5 16.058 -13.172 7.437 35 HB2 ALA 5 HB2 ALA 5 16.544 -14.212 8.776 36 HB3 ALA 5 HB3 ALA 5 16.709 -12.462 8.914 37 H ILE 6 HN ILE 6 13.293 -12.598 7.102 38 HA ILE 6 HA ILE 6 12.379 -10.736 6.162 39 HB ILE 6 HB ILE 6 11.742 -9.969 9.006 40 HG12 ILE 6 HG12 ILE 6 10.104 -11.743 7.188 41 HG13 ILE 6 HG11 ILE 6 11.188 -12.371 8.426 42 HG21 ILE 6 HG21 ILE 6 10.692 -9.225 6.312 43 HG22 ILE 6 HG22 ILE 6 11.061 -8.199 7.700 44 HG23 ILE 6 HG23 ILE 6 9.610 -9.200 7.706 45 HD11 ILE 6 HD11 ILE 6 8.901 -12.334 9.213 46 HD12 ILE 6 HD12 ILE 6 8.799 -10.603 8.891 47 HD13 ILE 6 HD13 ILE 6 9.890 -11.205 10.139 48 H GLY 7 HN GLY 7 14.112 -9.625 5.314 49 HA2 GLY 7 HA2 GLY 7 15.655 -7.833 6.994 50 HA3 GLY 7 HA1 GLY 7 15.872 -8.101 5.269 51 H GLU 8 HN GLU 8 12.861 -7.674 5.009 52 HA GLU 8 HA GLU 8 11.489 -5.979 4.342 53 HB2 GLU 8 HB2 GLU 8 12.853 -4.664 6.701 54 HB3 GLU 8 HB1 GLU 8 11.544 -3.903 5.808 55 HG2 GLU 8 HG2 GLU 8 10.094 -5.815 6.360 56 HG3 GLU 8 HG1 GLU 8 11.407 -6.507 7.312 57 H GLN 9 HN GLN 9 11.617 -3.412 3.881 58 HA GLN 9 HA GLN 9 14.053 -2.287 3.082 59 HB2 GLN 9 HB2 GLN 9 13.770 -2.477 0.601 60 HB3 GLN 9 HB1 GLN 9 14.201 -3.985 1.396 61 HG2 GLN 9 HG2 GLN 9 11.947 -4.777 1.243 62 HG3 GLN 9 HG1 GLN 9 11.397 -3.223 0.625 63 HE21 GLN 9 HE21 GLN 9 11.913 -2.624 -1.477 64 HE22 GLN 9 HE22 GLN 9 12.419 -3.782 -2.658 65 H VAL 10 HN VAL 10 12.146 -1.187 4.446 66 HA VAL 10 HA VAL 10 9.975 0.013 3.242 67 HB VAL 10 HB VAL 10 11.716 1.315 5.327 68 HG11 VAL 10 HG11 VAL 10 8.890 1.682 4.420 69 HG12 VAL 10 HG12 VAL 10 10.159 2.890 4.636 70 HG13 VAL 10 HG13 VAL 10 9.395 2.153 6.044 71 HG21 VAL 10 HG21 VAL 10 9.486 -0.700 5.716 72 HG22 VAL 10 HG22 VAL 10 10.326 0.179 6.997 73 HG23 VAL 10 HG23 VAL 10 11.208 -0.976 6.000 74 H PHE 11 HN PHE 11 9.624 1.771 1.997 75 HA PHE 11 HA PHE 11 11.881 3.530 1.381 76 HB2 PHE 11 HB2 PHE 11 10.121 2.149 -0.647 77 HB3 PHE 11 HB1 PHE 11 11.141 3.529 -1.034 78 HD1 PHE 11 HD2 PHE 11 13.634 3.024 0.275 79 HD2 PHE 11 HD1 PHE 11 10.994 0.262 -1.601 80 HE1 PHE 11 HE2 PHE 11 15.525 1.505 -0.142 81 HE2 PHE 11 HE1 PHE 11 12.881 -1.260 -2.023 82 HZ PHE 11 HZ PHE 11 15.150 -0.639 -1.293 83 H ALA 12 HN ALA 12 9.681 4.368 -0.815 84 HA ALA 12 HA ALA 12 8.032 5.963 1.020 85 HB1 ALA 12 HB1 ALA 12 8.329 7.905 -0.538 86 HB2 ALA 12 HB2 ALA 12 9.621 6.996 -1.320 87 HB3 ALA 12 HB3 ALA 12 9.771 7.459 0.374 88 H VAL 13 HN VAL 13 6.019 5.240 0.625 89 HA VAL 13 HA VAL 13 5.237 4.278 -1.968 90 HB VAL 13 HB VAL 13 3.431 4.860 0.383 91 HG11 VAL 13 HG11 VAL 13 2.971 2.789 -1.696 92 HG12 VAL 13 HG12 VAL 13 2.606 4.476 -2.067 93 HG13 VAL 13 HG13 VAL 13 1.800 3.673 -0.718 94 HG21 VAL 13 HG21 VAL 13 3.598 2.212 0.411 95 HG22 VAL 13 HG22 VAL 13 4.676 3.239 1.368 96 HG23 VAL 13 HG23 VAL 13 5.224 2.576 -0.169 97 H GLU 14 HN GLU 14 4.221 5.348 -3.543 98 HA GLU 14 HA GLU 14 3.789 8.162 -3.351 99 HB2 GLU 14 HB2 GLU 14 4.365 6.967 -5.484 100 HB3 GLU 14 HB1 GLU 14 2.761 6.245 -5.463 101 HG2 GLU 14 HG2 GLU 14 1.739 8.426 -5.656 102 HG3 GLU 14 HG1 GLU 14 3.319 9.201 -5.571 103 H SER 15 HN SER 15 1.770 5.281 -3.472 104 HA SER 15 HA SER 15 -0.090 5.821 -1.607 105 HB2 SER 15 HB2 SER 15 -2.062 6.674 -3.017 106 HB3 SER 15 HB1 SER 15 -0.852 7.856 -2.528 107 HG SER 15 HG SER 15 -0.287 6.637 -4.912 108 H ILE 16 HN ILE 16 -1.885 4.397 -1.623 109 HA ILE 16 HA ILE 16 -1.390 1.948 -2.895 110 HB ILE 16 HB ILE 16 -4.071 2.763 -1.799 111 HG12 ILE 16 HG12 ILE 16 -1.591 1.885 -0.325 112 HG13 ILE 16 HG11 ILE 16 -2.470 3.393 -0.125 113 HG21 ILE 16 HG21 ILE 16 -4.309 0.410 -1.287 114 HG22 ILE 16 HG22 ILE 16 -2.667 0.092 -1.857 115 HG23 ILE 16 HG23 ILE 16 -3.911 0.606 -2.996 116 HD11 ILE 16 HD11 ILE 16 -2.725 1.357 1.526 117 HD12 ILE 16 HD12 ILE 16 -3.957 0.886 0.366 118 HD13 ILE 16 HD13 ILE 16 -4.056 2.447 1.175 119 H ARG 17 HN ARG 17 -2.764 0.783 -4.352 120 HA ARG 17 HA ARG 17 -4.087 2.483 -6.363 121 HB2 ARG 17 HB2 ARG 17 -1.807 1.019 -6.770 122 HB3 ARG 17 HB1 ARG 17 -3.057 -0.091 -7.251 123 HG2 ARG 17 HG2 ARG 17 -3.823 1.285 -8.927 124 HG3 ARG 17 HG1 ARG 17 -2.937 2.683 -8.324 125 HD2 ARG 17 HD2 ARG 17 -0.835 1.508 -8.837 126 HD3 ARG 17 HD1 ARG 17 -1.767 0.170 -9.503 127 HE ARG 17 HE ARG 17 -2.641 1.871 -11.136 128 HH11 ARG 17 HH11 ARG 17 0.469 2.216 -9.608 129 HH12 ARG 17 HH12 ARG 17 1.145 3.150 -10.900 130 HH21 ARG 17 HH21 ARG 17 -1.762 3.099 -12.844 131 HH22 ARG 17 HH22 ARG 17 -0.124 3.653 -12.741 132 H LYS 18 HN LYS 18 -3.842 -0.767 -4.999 133 HA LYS 18 HA LYS 18 -6.719 -1.124 -5.454 134 HB2 LYS 18 HB2 LYS 18 -4.641 -3.221 -6.004 135 HB3 LYS 18 HB1 LYS 18 -6.368 -3.356 -6.264 136 HG2 LYS 18 HG2 LYS 18 -6.334 -1.867 -8.062 137 HG3 LYS 18 HG1 LYS 18 -4.736 -1.260 -7.636 138 HD2 LYS 18 HD2 LYS 18 -3.771 -3.428 -8.193 139 HD3 LYS 18 HD1 LYS 18 -5.368 -4.024 -8.625 140 HE2 LYS 18 HE2 LYS 18 -5.540 -2.510 -10.444 141 HE3 LYS 18 HE1 LYS 18 -4.103 -1.641 -9.919 142 HZ1 LYS 18 HZ1 LYS 18 -2.787 -3.625 -10.405 143 HZ2 LYS 18 HZ2 LYS 18 -3.599 -3.073 -11.782 144 HZ3 LYS 18 HZ3 LYS 18 -4.176 -4.425 -10.947 145 H LYS 19 HN LYS 19 -7.423 -3.275 -4.357 146 HA LYS 19 HA LYS 19 -5.970 -3.912 -1.929 147 HB2 LYS 19 HB2 LYS 19 -7.241 -2.116 -1.050 148 HB3 LYS 19 HB1 LYS 19 -8.687 -2.616 -1.908 149 HG2 LYS 19 HG2 LYS 19 -8.733 -4.659 -0.497 150 HG3 LYS 19 HG1 LYS 19 -7.381 -3.999 0.420 151 HD2 LYS 19 HD2 LYS 19 -8.757 -2.049 0.991 152 HD3 LYS 19 HD1 LYS 19 -10.110 -2.754 0.107 153 HE2 LYS 19 HE2 LYS 19 -9.800 -4.778 1.620 154 HE3 LYS 19 HE1 LYS 19 -8.798 -3.741 2.618 155 HZ1 LYS 19 HZ1 LYS 19 -11.060 -3.764 3.427 156 HZ2 LYS 19 HZ2 LYS 19 -11.643 -3.257 1.921 157 HZ3 LYS 19 HZ3 LYS 19 -10.678 -2.221 2.845 158 H ARG 20 HN ARG 20 -5.962 -6.056 -1.858 159 HA ARG 20 HA ARG 20 -8.366 -7.494 -2.772 160 HB2 ARG 20 HB2 ARG 20 -7.119 -8.893 -4.026 161 HB3 ARG 20 HB1 ARG 20 -5.882 -7.649 -3.915 162 HG2 ARG 20 HG2 ARG 20 -5.312 -8.991 -1.689 163 HG3 ARG 20 HG1 ARG 20 -6.038 -10.293 -2.606 164 HD2 ARG 20 HD2 ARG 20 -4.500 -9.799 -4.475 165 HD3 ARG 20 HD1 ARG 20 -3.726 -8.573 -3.474 166 HE ARG 20 HE ARG 20 -3.711 -10.992 -2.071 167 HH11 ARG 20 HH11 ARG 20 -2.281 -9.567 -4.913 168 HH12 ARG 20 HH12 ARG 20 -0.856 -10.546 -4.843 169 HH21 ARG 20 HH21 ARG 20 -1.836 -12.286 -1.973 170 HH22 ARG 20 HH22 ARG 20 -0.602 -12.092 -3.174 171 H VAL 21 HN VAL 21 -9.120 -9.170 -1.496 172 HA VAL 21 HA VAL 21 -7.710 -9.589 1.047 173 HB VAL 21 HB VAL 21 -10.683 -9.183 0.698 174 HG11 VAL 21 HG11 VAL 21 -9.189 -9.896 3.223 175 HG12 VAL 21 HG12 VAL 21 -10.149 -11.040 2.276 176 HG13 VAL 21 HG13 VAL 21 -10.930 -9.658 3.045 177 HG21 VAL 21 HG21 VAL 21 -8.849 -7.730 2.568 178 HG22 VAL 21 HG22 VAL 21 -10.428 -7.232 1.947 179 HG23 VAL 21 HG23 VAL 21 -9.019 -7.219 0.884 180 H ARG 22 HN ARG 22 -7.953 -11.643 2.011 181 HA ARG 22 HA ARG 22 -9.214 -13.726 0.369 182 HB2 ARG 22 HB2 ARG 22 -6.685 -13.579 0.030 183 HB3 ARG 22 HB1 ARG 22 -6.541 -14.104 1.698 184 HG2 ARG 22 HG2 ARG 22 -7.752 -16.153 1.170 185 HG3 ARG 22 HG1 ARG 22 -7.901 -15.628 -0.507 186 HD2 ARG 22 HD2 ARG 22 -5.437 -15.590 -0.677 187 HD3 ARG 22 HD1 ARG 22 -5.338 -16.205 0.973 188 HE ARG 22 HE ARG 22 -6.926 -17.848 -0.763 189 HH11 ARG 22 HH11 ARG 22 -3.688 -17.152 0.324 190 HH12 ARG 22 HH12 ARG 22 -3.086 -18.731 -0.055 191 HH21 ARG 22 HH21 ARG 22 -6.140 -19.927 -1.262 192 HH22 ARG 22 HH22 ARG 22 -4.479 -20.308 -0.954 193 H LYS 23 HN LYS 23 -10.893 -14.123 1.763 194 HA LYS 23 HA LYS 23 -11.985 -14.900 3.604 195 HB2 LYS 23 HB2 LYS 23 -9.257 -16.036 4.163 196 HB3 LYS 23 HB1 LYS 23 -10.667 -16.390 5.153 197 HG2 LYS 23 HG2 LYS 23 -11.691 -17.622 3.490 198 HG3 LYS 23 HG1 LYS 23 -10.756 -16.855 2.211 199 HD2 LYS 23 HD2 LYS 23 -9.956 -19.095 2.478 200 HD3 LYS 23 HD1 LYS 23 -8.729 -17.987 3.097 201 HE2 LYS 23 HE2 LYS 23 -8.905 -19.761 4.662 202 HE3 LYS 23 HE1 LYS 23 -9.692 -18.355 5.377 203 HZ1 LYS 23 HZ1 LYS 23 -11.060 -20.638 4.061 204 HZ2 LYS 23 HZ2 LYS 23 -11.834 -19.269 4.682 205 HZ3 LYS 23 HZ3 LYS 23 -11.018 -20.322 5.723 206 H GLY 24 HN GLY 24 -9.882 -12.506 3.615 207 HA2 GLY 24 HA2 GLY 24 -10.615 -10.792 5.357 208 HA3 GLY 24 HA1 GLY 24 -10.003 -11.978 6.498 209 H LYS 25 HN LYS 25 -7.896 -12.655 4.399 210 HA LYS 25 HA LYS 25 -5.855 -10.984 5.415 211 HB2 LYS 25 HB2 LYS 25 -5.811 -12.788 3.000 212 HB3 LYS 25 HB1 LYS 25 -4.399 -12.127 3.808 213 HG2 LYS 25 HG2 LYS 25 -4.879 -13.406 5.788 214 HG3 LYS 25 HG1 LYS 25 -6.389 -13.988 5.084 215 HD2 LYS 25 HD2 LYS 25 -4.733 -15.707 4.841 216 HD3 LYS 25 HD1 LYS 25 -5.069 -15.011 3.253 217 HE2 LYS 25 HE2 LYS 25 -3.049 -13.808 3.233 218 HE3 LYS 25 HE1 LYS 25 -2.789 -14.058 4.957 219 HZ1 LYS 25 HZ1 LYS 25 -1.352 -15.471 3.620 220 HZ2 LYS 25 HZ2 LYS 25 -2.696 -16.174 2.872 221 HZ3 LYS 25 HZ3 LYS 25 -2.431 -16.409 4.526 222 H VAL 26 HN VAL 26 -5.951 -8.859 4.955 223 HA VAL 26 HA VAL 26 -6.804 -7.957 2.347 224 HB VAL 26 HB VAL 26 -5.783 -6.319 4.657 225 HG11 VAL 26 HG11 VAL 26 -7.462 -5.532 2.278 226 HG12 VAL 26 HG12 VAL 26 -5.741 -5.189 2.465 227 HG13 VAL 26 HG13 VAL 26 -6.909 -4.464 3.569 228 HG21 VAL 26 HG21 VAL 26 -8.655 -6.569 3.973 229 HG22 VAL 26 HG22 VAL 26 -7.904 -6.170 5.517 230 HG23 VAL 26 HG23 VAL 26 -7.897 -7.836 4.933 231 H GLU 27 HN GLU 27 -5.626 -6.759 0.924 232 HA GLU 27 HA GLU 27 -2.744 -6.504 1.286 233 HB2 GLU 27 HB2 GLU 27 -4.132 -7.904 -0.983 234 HB3 GLU 27 HB1 GLU 27 -2.511 -7.280 -1.140 235 HG2 GLU 27 HG2 GLU 27 -2.827 -8.890 1.239 236 HG3 GLU 27 HG1 GLU 27 -3.236 -9.778 -0.226 237 H TYR 28 HN TYR 28 -1.827 -4.968 -0.343 238 HA TYR 28 HA TYR 28 -3.840 -3.179 -1.479 239 HB2 TYR 28 HB2 TYR 28 -1.795 -2.476 0.593 240 HB3 TYR 28 HB1 TYR 28 -2.428 -1.245 -0.484 241 HD1 TYR 28 HD1 TYR 28 -5.196 -1.499 -0.634 242 HD2 TYR 28 HD2 TYR 28 -2.728 -2.491 2.685 243 HE1 TYR 28 HE1 TYR 28 -7.106 -1.225 0.876 244 HE2 TYR 28 HE2 TYR 28 -4.635 -2.201 4.195 245 HH TYR 28 HH TYR 28 -6.776 -1.083 4.270 246 H LEU 29 HN LEU 29 -3.299 -3.035 -3.594 247 HA LEU 29 HA LEU 29 -0.632 -3.401 -4.526 248 HB2 LEU 29 HB2 LEU 29 -2.833 -3.738 -5.853 249 HB3 LEU 29 HB1 LEU 29 -2.829 -2.006 -6.056 250 HG LEU 29 HG LEU 29 -1.862 -3.520 -7.936 251 HD11 LEU 29 HD11 LEU 29 -1.828 -1.097 -7.886 252 HD12 LEU 29 HD12 LEU 29 -0.374 -1.768 -8.612 253 HD13 LEU 29 HD13 LEU 29 -0.332 -1.133 -6.965 254 HD21 LEU 29 HD21 LEU 29 0.500 -3.269 -6.127 255 HD22 LEU 29 HD22 LEU 29 0.511 -3.939 -7.757 256 HD23 LEU 29 HD23 LEU 29 -0.349 -4.775 -6.459 257 H VAL 30 HN VAL 30 0.470 -1.910 -3.164 258 HA VAL 30 HA VAL 30 -0.163 0.885 -3.342 259 HB VAL 30 HB VAL 30 1.124 -0.726 -1.467 260 HG11 VAL 30 HG11 VAL 30 3.203 0.448 -0.998 261 HG12 VAL 30 HG12 VAL 30 3.063 1.300 -2.540 262 HG13 VAL 30 HG13 VAL 30 3.267 -0.454 -2.515 263 HG21 VAL 30 HG21 VAL 30 1.311 1.504 -0.250 264 HG22 VAL 30 HG22 VAL 30 -0.287 0.964 -0.765 265 HG23 VAL 30 HG23 VAL 30 0.567 2.197 -1.693 266 H LYS 31 HN LYS 31 0.729 2.399 -4.537 267 HA LYS 31 HA LYS 31 2.607 1.622 -6.604 268 HB2 LYS 31 HB2 LYS 31 0.600 2.993 -7.132 269 HB3 LYS 31 HB1 LYS 31 1.254 4.285 -6.134 270 HG2 LYS 31 HG2 LYS 31 3.176 4.479 -7.619 271 HG3 LYS 31 HG1 LYS 31 2.546 3.162 -8.613 272 HD2 LYS 31 HD2 LYS 31 0.532 4.511 -9.070 273 HD3 LYS 31 HD1 LYS 31 1.228 5.834 -8.133 274 HE2 LYS 31 HE2 LYS 31 3.100 5.965 -9.686 275 HE3 LYS 31 HE1 LYS 31 2.445 4.613 -10.608 276 HZ1 LYS 31 HZ1 LYS 31 1.914 6.735 -11.634 277 HZ2 LYS 31 HZ2 LYS 31 1.120 7.243 -10.230 278 HZ3 LYS 31 HZ3 LYS 31 0.504 5.948 -11.127 279 H TRP 32 HN TRP 32 4.663 2.288 -6.780 280 HA TRP 32 HA TRP 32 5.847 3.501 -4.410 281 HB2 TRP 32 HB2 TRP 32 7.020 2.004 -6.755 282 HB3 TRP 32 HB1 TRP 32 7.992 2.709 -5.468 283 HD1 TRP 32 HD1 TRP 32 6.367 -0.445 -6.352 284 HE1 TRP 32 HE1 TRP 32 6.116 -1.967 -4.290 285 HE3 TRP 32 HE3 TRP 32 7.393 2.973 -2.716 286 HZ2 TRP 32 HZ2 TRP 32 6.318 -1.731 -1.478 287 HZ3 TRP 32 HZ3 TRP 32 7.342 2.259 -0.364 288 HH2 TRP 32 HH2 TRP 32 6.799 -0.039 0.234 289 H LYS 33 HN LYS 33 6.590 5.496 -4.320 290 HA LYS 33 HA LYS 33 6.213 7.370 -6.374 291 HB2 LYS 33 HB2 LYS 33 6.332 7.928 -3.963 292 HB3 LYS 33 HB1 LYS 33 8.055 7.577 -3.988 293 HG2 LYS 33 HG2 LYS 33 8.577 9.518 -5.017 294 HG3 LYS 33 HG1 LYS 33 7.096 9.534 -5.972 295 HD2 LYS 33 HD2 LYS 33 7.041 11.358 -4.403 296 HD3 LYS 33 HD1 LYS 33 5.841 10.151 -3.939 297 HE2 LYS 33 HE2 LYS 33 6.990 10.896 -1.963 298 HE3 LYS 33 HE1 LYS 33 7.463 9.233 -2.313 299 HZ1 LYS 33 HZ1 LYS 33 9.047 11.659 -2.964 300 HZ2 LYS 33 HZ2 LYS 33 9.499 10.068 -3.323 301 HZ3 LYS 33 HZ3 LYS 33 9.374 10.567 -1.711 302 H GLY 34 HN GLY 34 7.467 8.062 -8.012 303 HA2 GLY 34 HA2 GLY 34 9.396 8.441 -9.254 304 HA3 GLY 34 HA1 GLY 34 10.326 7.622 -8.008 305 H TRP 35 HN TRP 35 8.509 5.266 -8.112 306 HA TRP 35 HA TRP 35 9.826 3.959 -10.354 307 HB2 TRP 35 HB2 TRP 35 8.254 2.929 -8.000 308 HB3 TRP 35 HB1 TRP 35 8.761 1.884 -9.318 309 HD1 TRP 35 HD1 TRP 35 10.243 4.008 -6.466 310 HE1 TRP 35 HE1 TRP 35 12.599 3.112 -5.940 311 HE3 TRP 35 HE3 TRP 35 10.683 0.602 -10.254 312 HZ2 TRP 35 HZ2 TRP 35 14.403 1.211 -6.990 313 HZ3 TRP 35 HZ3 TRP 35 12.755 -0.714 -10.423 314 HH2 TRP 35 HH2 TRP 35 14.577 -0.414 -8.825 315 HA PRO 36 HA PRO 36 6.303 3.873 -12.992 316 HB2 PRO 36 HB2 PRO 36 6.995 1.183 -13.892 317 HB3 PRO 36 HB1 PRO 36 7.067 2.703 -14.779 318 HG2 PRO 36 HG2 PRO 36 9.273 1.347 -13.987 319 HG3 PRO 36 HG1 PRO 36 9.223 3.103 -14.163 320 HD2 PRO 36 HD2 PRO 36 9.080 1.437 -11.694 321 HD3 PRO 36 HD1 PRO 36 9.896 2.983 -11.964 322 HA PRO 37 HA PRO 37 3.037 1.556 -11.080 323 HB2 PRO 37 HB2 PRO 37 1.426 1.034 -13.239 324 HB3 PRO 37 HB1 PRO 37 1.485 2.596 -12.416 325 HG2 PRO 37 HG2 PRO 37 2.850 1.728 -14.932 326 HG3 PRO 37 HG1 PRO 37 2.039 3.263 -14.569 327 HD2 PRO 37 HD2 PRO 37 4.717 3.030 -14.512 328 HD3 PRO 37 HD1 PRO 37 3.847 4.077 -13.371 329 H LYS 38 HN LYS 38 4.916 0.336 -13.660 330 HA LYS 38 HA LYS 38 3.879 -2.302 -13.800 331 HB2 LYS 38 HB2 LYS 38 6.593 -1.217 -14.568 332 HB3 LYS 38 HB1 LYS 38 5.958 -2.793 -15.034 333 HG2 LYS 38 HG2 LYS 38 4.255 -1.793 -16.371 334 HG3 LYS 38 HG1 LYS 38 4.646 -0.185 -15.762 335 HD2 LYS 38 HD2 LYS 38 6.464 -1.929 -17.417 336 HD3 LYS 38 HD1 LYS 38 5.543 -0.548 -18.014 337 HE2 LYS 38 HE2 LYS 38 6.767 0.852 -16.312 338 HE3 LYS 38 HE1 LYS 38 7.803 -0.544 -16.024 339 HZ1 LYS 38 HZ1 LYS 38 8.436 -0.502 -18.364 340 HZ2 LYS 38 HZ2 LYS 38 8.813 0.961 -17.605 341 HZ3 LYS 38 HZ3 LYS 38 7.465 0.860 -18.620 342 H TYR 39 HN TYR 39 5.978 -0.696 -11.610 343 HA TYR 39 HA TYR 39 6.984 -3.242 -10.575 344 HB2 TYR 39 HB2 TYR 39 7.888 -0.398 -10.239 345 HB3 TYR 39 HB1 TYR 39 8.441 -1.668 -9.157 346 HD1 TYR 39 HD2 TYR 39 9.783 -3.560 -10.054 347 HD2 TYR 39 HD1 TYR 39 8.745 -0.199 -12.434 348 HE1 TYR 39 HE2 TYR 39 11.535 -4.174 -11.669 349 HE2 TYR 39 HE1 TYR 39 10.487 -0.796 -14.053 350 HH TYR 39 HH TYR 39 12.593 -2.076 -14.113 351 H SER 40 HN SER 40 4.269 -1.691 -10.107 352 HA SER 40 HA SER 40 4.062 -1.014 -7.424 353 HB2 SER 40 HB2 SER 40 1.995 -2.402 -9.140 354 HB3 SER 40 HB1 SER 40 1.675 -1.633 -7.589 355 HG SER 40 HG SER 40 2.988 0.050 -9.247 356 H THR 41 HN THR 41 3.224 -2.256 -5.584 357 HA THR 41 HA THR 41 3.613 -5.145 -5.849 358 HB THR 41 HB THR 41 4.967 -5.298 -3.845 359 HG1 THR 41 HG1 THR 41 5.786 -2.970 -3.237 360 HG21 THR 41 HG21 THR 41 6.023 -4.816 -6.114 361 HG22 THR 41 HG22 THR 41 7.014 -4.474 -4.696 362 HG23 THR 41 HG23 THR 41 6.218 -3.155 -5.553 363 H TRP 42 HN TRP 42 2.532 -6.433 -4.375 364 HA TRP 42 HA TRP 42 0.235 -5.162 -3.117 365 HB2 TRP 42 HB2 TRP 42 0.959 -8.027 -3.713 366 HB3 TRP 42 HB1 TRP 42 -0.414 -7.607 -2.696 367 HD1 TRP 42 HD1 TRP 42 0.650 -7.858 -6.299 368 HE1 TRP 42 HE1 TRP 42 -1.358 -7.307 -7.815 369 HE3 TRP 42 HE3 TRP 42 -2.552 -6.027 -2.763 370 HZ2 TRP 42 HZ2 TRP 42 -3.960 -6.237 -7.537 371 HZ3 TRP 42 HZ3 TRP 42 -4.783 -5.263 -3.473 372 HH2 TRP 42 HH2 TRP 42 -5.462 -5.367 -5.818 373 H GLU 43 HN GLU 43 0.571 -4.412 -1.112 374 HA GLU 43 HA GLU 43 2.163 -6.064 0.727 375 HB2 GLU 43 HB2 GLU 43 1.503 -3.301 1.524 376 HB3 GLU 43 HB1 GLU 43 3.005 -4.195 1.708 377 HG2 GLU 43 HG2 GLU 43 3.640 -3.727 -0.541 378 HG3 GLU 43 HG1 GLU 43 2.059 -3.029 -0.896 379 HA PRO 44 HA PRO 44 -1.708 -7.090 2.735 380 HB2 PRO 44 HB2 PRO 44 0.140 -7.406 5.056 381 HB3 PRO 44 HB1 PRO 44 -1.104 -8.507 4.450 382 HG2 PRO 44 HG2 PRO 44 1.457 -8.997 3.987 383 HG3 PRO 44 HG1 PRO 44 0.244 -9.295 2.732 384 HD2 PRO 44 HD2 PRO 44 2.216 -7.067 2.975 385 HD3 PRO 44 HD1 PRO 44 1.620 -7.895 1.521 386 H GLU 45 HN GLU 45 -3.048 -6.163 4.254 387 HA GLU 45 HA GLU 45 -2.754 -3.410 4.676 388 HB2 GLU 45 HB2 GLU 45 -4.914 -4.477 4.518 389 HB3 GLU 45 HB1 GLU 45 -4.598 -5.425 5.959 390 HG2 GLU 45 HG2 GLU 45 -4.543 -2.458 6.130 391 HG3 GLU 45 HG1 GLU 45 -6.093 -3.275 6.020 392 H GLU 46 HN GLU 46 -1.442 -6.034 6.368 393 HA GLU 46 HA GLU 46 -1.169 -4.548 8.866 394 HB2 GLU 46 HB2 GLU 46 -0.281 -7.351 8.177 395 HB3 GLU 46 HB1 GLU 46 -0.251 -6.623 9.777 396 HG2 GLU 46 HG2 GLU 46 -2.683 -6.450 9.749 397 HG3 GLU 46 HG1 GLU 46 -2.718 -7.167 8.140 398 H HIS 47 HN HIS 47 0.501 -4.882 5.985 399 HA HIS 47 HA HIS 47 3.109 -4.516 7.268 400 HB2 HIS 47 HB2 HIS 47 2.315 -5.347 4.496 401 HB3 HIS 47 HB1 HIS 47 3.936 -4.752 4.834 402 HD1 HIS 47 HD1 HIS 47 1.617 -7.592 5.712 403 HD2 HIS 47 HD2 HIS 47 5.623 -6.542 6.086 404 HE1 HIS 47 HE1 HIS 47 2.781 -9.663 6.533 405 HE2 HIS 47 HE2 HIS 47 5.186 -8.978 6.839 406 H ILE 48 HN ILE 48 0.826 -2.826 5.124 407 HA ILE 48 HA ILE 48 2.550 -0.727 4.393 408 HB ILE 48 HB ILE 48 -0.440 -0.551 4.879 409 HG12 ILE 48 HG12 ILE 48 1.238 -1.418 2.570 410 HG13 ILE 48 HG11 ILE 48 -0.326 -2.011 3.108 411 HG21 ILE 48 HG21 ILE 48 -0.350 1.485 3.518 412 HG22 ILE 48 HG22 ILE 48 1.408 1.349 3.438 413 HG23 ILE 48 HG23 ILE 48 0.616 1.639 4.988 414 HD11 ILE 48 HD11 ILE 48 0.322 0.040 1.135 415 HD12 ILE 48 HD12 ILE 48 -0.972 0.485 2.250 416 HD13 ILE 48 HD13 ILE 48 -1.098 -0.986 1.297 417 H LEU 49 HN LEU 49 3.812 -0.108 5.942 418 HA LEU 49 HA LEU 49 3.459 0.197 8.620 419 HB2 LEU 49 HB2 LEU 49 5.118 2.046 6.946 420 HB3 LEU 49 HB1 LEU 49 5.390 1.609 8.610 421 HG LEU 49 HG LEU 49 5.541 -0.396 6.373 422 HD11 LEU 49 HD11 LEU 49 7.097 1.278 5.815 423 HD12 LEU 49 HD12 LEU 49 7.983 -0.074 6.518 424 HD13 LEU 49 HD13 LEU 49 7.686 1.381 7.474 425 HD21 LEU 49 HD21 LEU 49 5.317 -1.400 8.469 426 HD22 LEU 49 HD22 LEU 49 6.476 -0.315 9.221 427 HD23 LEU 49 HD23 LEU 49 7.017 -1.520 8.047 428 H ASP 50 HN ASP 50 2.199 2.278 6.147 429 HA ASP 50 HA ASP 50 1.450 4.222 8.227 430 HB2 ASP 50 HB2 ASP 50 1.883 4.632 5.266 431 HB3 ASP 50 HB1 ASP 50 1.188 5.849 6.335 432 HA PRO 51 HA PRO 51 -2.699 2.625 7.333 433 HB2 PRO 51 HB2 PRO 51 -3.415 4.505 9.473 434 HB3 PRO 51 HB1 PRO 51 -3.696 2.767 9.384 435 HG2 PRO 51 HG2 PRO 51 -1.900 3.801 11.080 436 HG3 PRO 51 HG1 PRO 51 -1.606 2.261 10.251 437 HD2 PRO 51 HD2 PRO 51 -0.533 4.979 9.613 438 HD3 PRO 51 HD1 PRO 51 0.292 3.409 9.624 439 H ARG 52 HN ARG 52 -1.339 5.777 7.369 440 HA ARG 52 HA ARG 52 -3.565 7.308 6.582 441 HB2 ARG 52 HB2 ARG 52 -0.597 7.629 6.159 442 HB3 ARG 52 HB1 ARG 52 -1.746 8.781 5.495 443 HG2 ARG 52 HG2 ARG 52 -0.935 9.653 7.549 444 HG3 ARG 52 HG1 ARG 52 -2.604 9.152 7.799 445 HD2 ARG 52 HD2 ARG 52 -1.850 7.096 8.856 446 HD3 ARG 52 HD1 ARG 52 -0.170 7.539 8.554 447 HE ARG 52 HE ARG 52 -0.881 9.597 10.005 448 HH11 ARG 52 HH11 ARG 52 -1.780 6.258 10.456 449 HH12 ARG 52 HH12 ARG 52 -1.929 6.398 12.176 450 HH21 ARG 52 HH21 ARG 52 -1.077 9.786 12.271 451 HH22 ARG 52 HH22 ARG 52 -1.534 8.401 13.206 452 H LEU 53 HN LEU 53 -1.209 5.379 4.864 453 HA LEU 53 HA LEU 53 -1.964 5.983 2.220 454 HB2 LEU 53 HB2 LEU 53 -0.586 3.685 3.570 455 HB3 LEU 53 HB1 LEU 53 -1.029 3.551 1.884 456 HG LEU 53 HG LEU 53 0.611 5.863 2.861 457 HD11 LEU 53 HD11 LEU 53 1.605 3.152 1.999 458 HD12 LEU 53 HD12 LEU 53 1.791 3.881 3.594 459 HD13 LEU 53 HD13 LEU 53 2.612 4.585 2.201 460 HD21 LEU 53 HD21 LEU 53 0.318 4.481 0.197 461 HD22 LEU 53 HD22 LEU 53 1.378 5.853 0.530 462 HD23 LEU 53 HD23 LEU 53 -0.372 6.042 0.647 463 H VAL 54 HN VAL 54 -2.970 3.514 4.513 464 HA VAL 54 HA VAL 54 -4.783 2.123 2.873 465 HB VAL 54 HB VAL 54 -4.512 2.394 5.860 466 HG11 VAL 54 HG11 VAL 54 -6.724 1.270 4.319 467 HG12 VAL 54 HG12 VAL 54 -6.651 1.735 6.016 468 HG13 VAL 54 HG13 VAL 54 -6.039 0.161 5.505 469 HG21 VAL 54 HG21 VAL 54 -3.815 0.310 3.829 470 HG22 VAL 54 HG22 VAL 54 -3.892 -0.054 5.552 471 HG23 VAL 54 HG23 VAL 54 -2.745 1.146 4.953 472 H MET 55 HN MET 55 -5.439 4.471 5.453 473 HA MET 55 HA MET 55 -8.155 4.716 5.161 474 HB2 MET 55 HB2 MET 55 -6.579 5.801 6.878 475 HB3 MET 55 HB1 MET 55 -6.420 7.098 5.714 476 HG2 MET 55 HG2 MET 55 -8.176 8.004 6.722 477 HG3 MET 55 HG1 MET 55 -9.121 6.788 5.877 478 HE1 MET 55 HE1 MET 55 -7.948 4.263 7.226 479 HE2 MET 55 HE2 MET 55 -9.713 4.261 7.182 480 HE3 MET 55 HE3 MET 55 -8.869 3.922 8.694 481 H ALA 56 HN ALA 56 -5.675 6.761 3.636 482 HA ALA 56 HA ALA 56 -7.336 8.338 2.078 483 HB1 ALA 56 HB1 ALA 56 -4.567 7.365 1.410 484 HB2 ALA 56 HB2 ALA 56 -4.962 8.796 2.359 485 HB3 ALA 56 HB3 ALA 56 -5.386 8.726 0.649 486 H TYR 57 HN TYR 57 -6.105 5.089 1.486 487 HA TYR 57 HA TYR 57 -6.825 4.835 -1.203 488 HB2 TYR 57 HB2 TYR 57 -5.448 3.152 -0.120 489 HB3 TYR 57 HB1 TYR 57 -6.758 2.733 0.977 490 HD1 TYR 57 HD1 TYR 57 -5.718 2.684 -2.560 491 HD2 TYR 57 HD2 TYR 57 -8.396 1.158 0.354 492 HE1 TYR 57 HE1 TYR 57 -6.550 1.039 -4.196 493 HE2 TYR 57 HE2 TYR 57 -9.234 -0.494 -1.258 494 HH TYR 57 HH TYR 57 -9.367 -0.785 -3.692 495 H GLU 58 HN GLU 58 -8.625 3.851 1.698 496 HA GLU 58 HA GLU 58 -11.018 3.233 0.340 497 HB2 GLU 58 HB2 GLU 58 -10.903 4.076 3.183 498 HB3 GLU 58 HB1 GLU 58 -11.992 2.927 2.442 499 HG2 GLU 58 HG2 GLU 58 -10.112 1.391 2.122 500 HG3 GLU 58 HG1 GLU 58 -9.049 2.542 2.926 501 H GLU 59 HN GLU 59 -9.531 6.136 0.934 502 HA GLU 59 HA GLU 59 -11.911 7.733 1.299 503 HB2 GLU 59 HB2 GLU 59 -10.415 9.100 2.235 504 HB3 GLU 59 HB1 GLU 59 -9.096 8.073 1.687 505 HG2 GLU 59 HG2 GLU 59 -9.011 9.262 -0.415 506 HG3 GLU 59 HG1 GLU 59 -10.379 10.262 0.072 507 H LYS 60 HN LYS 60 -9.620 6.939 -1.249 508 HA LYS 60 HA LYS 60 -10.638 8.760 -3.168 509 HB2 LYS 60 HB2 LYS 60 -9.258 6.154 -3.773 510 HB3 LYS 60 HB1 LYS 60 -9.287 7.615 -4.751 511 HG2 LYS 60 HG2 LYS 60 -7.620 8.555 -3.617 512 HG3 LYS 60 HG1 LYS 60 -8.213 7.967 -2.062 513 HD2 LYS 60 HD2 LYS 60 -6.256 6.792 -2.281 514 HD3 LYS 60 HD1 LYS 60 -7.415 5.657 -2.967 515 HE2 LYS 60 HE2 LYS 60 -5.522 5.739 -4.424 516 HE3 LYS 60 HE1 LYS 60 -6.864 6.563 -5.220 517 HZ1 LYS 60 HZ1 LYS 60 -4.592 7.857 -3.815 518 HZ2 LYS 60 HZ2 LYS 60 -5.913 8.683 -4.474 519 HZ3 LYS 60 HZ3 LYS 60 -4.859 7.832 -5.486 520 H GLU 61 HN GLU 61 -11.207 5.328 -2.486 521 HA GLU 61 HA GLU 61 -13.025 4.939 -4.615 522 HB2 GLU 61 HB2 GLU 61 -13.772 2.925 -3.334 523 HB3 GLU 61 HB1 GLU 61 -12.054 3.006 -3.676 524 HG2 GLU 61 HG2 GLU 61 -11.811 3.991 -1.361 525 HG3 GLU 61 HG1 GLU 61 -13.453 3.414 -1.080 526 H GLU 62 HN GLU 62 -13.709 5.298 -1.152 527 HA GLU 62 HA GLU 62 -16.422 5.348 -1.202 528 HB2 GLU 62 HB2 GLU 62 -16.414 6.776 0.763 529 HB3 GLU 62 HB1 GLU 62 -15.131 5.579 0.866 530 HG2 GLU 62 HG2 GLU 62 -13.526 7.267 0.137 531 HG3 GLU 62 HG1 GLU 62 -14.814 8.468 0.102 532 H ARG 63 HN ARG 63 -14.307 8.097 -1.904 533 HA ARG 63 HA ARG 63 -16.210 10.059 -2.353 534 HB2 ARG 63 HB2 ARG 63 -13.439 9.568 -3.239 535 HB3 ARG 63 HB1 ARG 63 -14.375 10.710 -4.189 536 HG2 ARG 63 HG2 ARG 63 -14.955 11.735 -1.882 537 HG3 ARG 63 HG1 ARG 63 -13.498 10.890 -1.356 538 HD2 ARG 63 HD2 ARG 63 -13.701 12.876 -3.609 539 HD3 ARG 63 HD1 ARG 63 -13.004 13.187 -2.020 540 HE ARG 63 HE ARG 63 -11.488 11.172 -2.808 541 HH11 ARG 63 HH11 ARG 63 -12.569 13.956 -4.603 542 HH12 ARG 63 HH12 ARG 63 -11.175 13.997 -5.629 543 HH21 ARG 63 HH21 ARG 63 -9.647 11.219 -4.153 544 HH22 ARG 63 HH22 ARG 63 -9.513 12.443 -5.372 545 H ASP 64 HN ASP 64 -14.834 7.759 -4.676 546 HA ASP 64 HA ASP 64 -16.521 8.652 -6.818 547 HB2 ASP 64 HB2 ASP 64 -14.232 7.681 -7.125 548 HB3 ASP 64 HB1 ASP 64 -14.891 6.125 -6.664 549 H ARG 65 HN ARG 65 -16.217 5.457 -5.277 550 HA ARG 65 HA ARG 65 -18.552 4.418 -6.302 551 HB2 ARG 65 HB2 ARG 65 -18.439 2.784 -4.380 552 HB3 ARG 65 HB1 ARG 65 -17.099 2.856 -5.503 553 HG2 ARG 65 HG2 ARG 65 -15.780 4.043 -4.040 554 HG3 ARG 65 HG1 ARG 65 -17.116 4.325 -2.939 555 HD2 ARG 65 HD2 ARG 65 -17.269 1.828 -2.674 556 HD3 ARG 65 HD1 ARG 65 -15.759 1.735 -3.578 557 HE ARG 65 HE ARG 65 -15.081 3.394 -1.605 558 HH11 ARG 65 HH11 ARG 65 -16.797 0.362 -1.552 559 HH12 ARG 65 HH12 ARG 65 -16.269 -0.057 0.043 560 HH21 ARG 65 HH21 ARG 65 -14.386 2.852 0.501 561 HH22 ARG 65 HH22 ARG 65 -14.900 1.358 1.210 562 H ALA 66 HN ALA 66 -18.121 5.296 -2.913 563 HA ALA 66 HA ALA 66 -20.888 5.243 -2.326 564 HB1 ALA 66 HB1 ALA 66 -19.111 4.922 -0.640 565 HB2 ALA 66 HB2 ALA 66 -20.298 6.138 -0.170 566 HB3 ALA 66 HB3 ALA 66 -18.715 6.635 -0.769 567 H SER 67 HN SER 67 -18.978 7.576 -3.874 568 HA SER 67 HA SER 67 -19.605 9.502 -4.928 569 HB2 SER 67 HB2 SER 67 -21.963 8.725 -4.962 570 HB3 SER 67 HB1 SER 67 -22.182 9.376 -3.339 571 HG SER 67 HG SER 67 -21.718 11.442 -4.180 572 H GLY 68 HN GLY 68 -19.300 8.911 -1.670 573 HA2 GLY 68 HA2 GLY 68 -18.677 10.181 0.134 574 HA3 GLY 68 HA1 GLY 68 -17.818 11.123 -1.073 575 H TYR 69 HN TYR 69 -18.294 13.208 -1.109 576 HA TYR 69 HA TYR 69 -19.301 15.191 -0.644 577 HB2 TYR 69 HB2 TYR 69 -20.605 14.207 -2.598 578 HB3 TYR 69 HB1 TYR 69 -21.861 13.811 -1.429 579 HD1 TYR 69 HD2 TYR 69 -23.034 15.652 -0.216 580 HD2 TYR 69 HD1 TYR 69 -20.326 16.426 -3.404 581 HE1 TYR 69 HE2 TYR 69 -23.961 17.917 -0.448 582 HE2 TYR 69 HE1 TYR 69 -21.242 18.687 -3.644 583 HH TYR 69 HH TYR 69 -23.213 20.131 -1.331 584 H ARG 70 HN ARG 70 -22.276 13.511 0.121 585 HA ARG 70 HA ARG 70 -21.870 13.584 2.962 586 HB2 ARG 70 HB2 ARG 70 -22.522 15.986 2.073 587 HB3 ARG 70 HB1 ARG 70 -24.124 15.293 2.025 588 HG2 ARG 70 HG2 ARG 70 -23.889 16.436 4.085 589 HG3 ARG 70 HG1 ARG 70 -23.899 14.700 4.398 590 HD2 ARG 70 HD2 ARG 70 -22.178 15.658 5.727 591 HD3 ARG 70 HD1 ARG 70 -21.446 14.750 4.410 592 HE ARG 70 HE ARG 70 -21.629 17.332 3.499 593 HH11 ARG 70 HH11 ARG 70 -20.103 15.712 6.179 594 HH12 ARG 70 HH12 ARG 70 -18.800 16.848 6.291 595 HH21 ARG 70 HH21 ARG 70 -19.916 18.833 3.638 596 HH22 ARG 70 HH22 ARG 70 -18.694 18.622 4.847 597 H LYS 71 HN LYS 71 -24.880 13.943 3.251 598 HA LYS 71 HA LYS 71 -25.604 11.231 2.366 599 HB2 LYS 71 HB2 LYS 71 -25.515 11.522 4.813 600 HB3 LYS 71 HB1 LYS 71 -26.697 12.817 4.698 601 HG2 LYS 71 HG2 LYS 71 -27.800 10.816 5.411 602 HG3 LYS 71 HG1 LYS 71 -28.321 11.197 3.770 603 HD2 LYS 71 HD2 LYS 71 -27.915 8.839 3.898 604 HD3 LYS 71 HD1 LYS 71 -26.631 9.564 2.930 605 HE2 LYS 71 HE2 LYS 71 -25.710 7.929 4.472 606 HE3 LYS 71 HE1 LYS 71 -25.158 9.550 4.892 607 HZ1 LYS 71 HZ1 LYS 71 -27.370 8.080 6.224 608 HZ2 LYS 71 HZ2 LYS 71 -26.833 9.631 6.631 609 HZ3 LYS 71 HZ3 LYS 71 -25.813 8.299 6.851 610 H1 ALA 15 HT1 ALA 15 17.887 12.421 9.702 611 H2 ALA 15 HT2 ALA 15 18.378 10.864 9.263 612 H3 ALA 15 HT3 ALA 15 19.242 11.721 10.436 613 HA ALA 15 HA ALA 15 17.856 10.023 11.440 614 HB1 ALA 15 HB1 ALA 15 18.368 12.058 12.687 615 HB2 ALA 15 HB2 ALA 15 16.763 11.450 13.090 616 HB3 ALA 15 HB3 ALA 15 16.938 12.837 12.014 617 HA PRO 16 HA PRO 16 14.030 9.996 8.872 618 HB2 PRO 16 HB2 PRO 16 14.026 7.384 8.277 619 HB3 PRO 16 HB1 PRO 16 15.065 8.523 7.412 620 HG2 PRO 16 HG2 PRO 16 15.758 6.639 9.632 621 HG3 PRO 16 HG1 PRO 16 16.662 7.003 8.151 622 HD2 PRO 16 HD2 PRO 16 17.219 8.109 10.603 623 HD3 PRO 16 HD1 PRO 16 17.616 8.877 9.053 624 H ARG 17 HN ARG 17 14.325 9.868 11.805 625 HA ARG 17 HA ARG 17 12.457 7.740 12.542 626 HB2 ARG 17 HB2 ARG 17 13.967 9.666 14.316 627 HB3 ARG 17 HB1 ARG 17 13.036 8.273 14.847 628 HG2 ARG 17 HG2 ARG 17 15.360 7.964 12.984 629 HG3 ARG 17 HG1 ARG 17 15.586 8.069 14.731 630 HD2 ARG 17 HD2 ARG 17 15.487 5.759 14.161 631 HD3 ARG 17 HD1 ARG 17 13.977 6.171 14.970 632 HE ARG 17 HE ARG 17 13.481 6.462 12.280 633 HH11 ARG 17 HH11 ARG 17 14.530 3.895 14.388 634 HH12 ARG 17 HH12 ARG 17 13.823 2.641 13.427 635 HH21 ARG 17 HH21 ARG 17 12.541 4.814 11.007 636 HH22 ARG 17 HH22 ARG 17 12.692 3.162 11.506 637 H LYS 18 HN LYS 18 12.838 11.258 12.756 638 HA LYS 18 HA LYS 18 9.934 11.460 13.218 639 HB2 LYS 18 HB2 LYS 18 11.391 12.108 15.173 640 HB3 LYS 18 HB1 LYS 18 12.013 13.425 14.187 641 HG2 LYS 18 HG2 LYS 18 9.810 14.405 14.042 642 HG3 LYS 18 HG1 LYS 18 9.120 13.045 14.930 643 HD2 LYS 18 HD2 LYS 18 10.625 13.638 16.841 644 HD3 LYS 18 HD1 LYS 18 11.086 15.092 15.953 645 HE2 LYS 18 HE2 LYS 18 8.768 15.839 15.950 646 HE3 LYS 18 HE1 LYS 18 8.278 14.368 16.788 647 HZ1 LYS 18 HZ1 LYS 18 9.694 15.039 18.656 648 HZ2 LYS 18 HZ2 LYS 18 8.486 16.180 18.341 649 HZ3 LYS 18 HZ3 LYS 18 10.077 16.479 17.855 650 H GLN 19 HN GLN 19 12.763 13.212 11.950 651 HA GLN 19 HA GLN 19 11.319 15.155 10.524 652 HB2 GLN 19 HB2 GLN 19 14.098 14.051 10.116 653 HB3 GLN 19 HB1 GLN 19 13.459 15.419 9.217 654 HG2 GLN 19 HG2 GLN 19 13.234 16.710 11.224 655 HG3 GLN 19 HG1 GLN 19 13.681 15.322 12.215 656 HE21 GLN 19 HE21 GLN 19 15.400 16.442 13.138 657 HE22 GLN 19 HE22 GLN 19 16.858 16.764 12.269 658 H LEU 20 HN LEU 20 10.282 15.131 8.644 659 HA LEU 20 HA LEU 20 9.309 14.372 6.738 660 HB2 LEU 20 HB2 LEU 20 12.081 13.239 6.457 661 HB3 LEU 20 HB1 LEU 20 10.865 13.017 5.215 662 HG LEU 20 HG LEU 20 12.309 14.851 4.609 663 HD11 LEU 20 HD11 LEU 20 10.669 16.627 4.315 664 HD12 LEU 20 HD12 LEU 20 9.626 15.877 5.523 665 HD13 LEU 20 HD13 LEU 20 9.955 15.045 4.003 666 HD21 LEU 20 HD21 LEU 20 11.498 16.145 7.209 667 HD22 LEU 20 HD22 LEU 20 12.530 16.850 5.965 668 HD23 LEU 20 HD23 LEU 20 13.076 15.436 6.866 669 H ALA 21 HN ALA 21 7.712 13.106 7.663 670 HA ALA 21 HA ALA 21 7.929 10.282 7.113 671 HB1 ALA 21 HB1 ALA 21 7.407 11.195 9.940 672 HB2 ALA 21 HB2 ALA 21 8.874 10.402 9.368 673 HB3 ALA 21 HB3 ALA 21 7.340 9.533 9.355 674 H THR 22 HN THR 22 6.275 10.822 5.624 675 HA THR 22 HA THR 22 3.691 11.574 6.805 676 HB THR 22 HB THR 22 2.994 11.942 4.402 677 HG1 THR 22 HG1 THR 22 4.416 11.614 2.853 678 HG21 THR 22 HG21 THR 22 5.295 13.585 5.465 679 HG22 THR 22 HG22 THR 22 3.590 13.804 5.857 680 HG23 THR 22 HG23 THR 22 4.162 14.100 4.216 681 H LYS 23 HN LYS 23 4.563 9.637 3.942 682 HA LYS 23 HA LYS 23 3.074 7.378 5.052 683 HB2 LYS 23 HB2 LYS 23 2.535 8.626 2.354 684 HB3 LYS 23 HB1 LYS 23 1.906 7.068 2.869 685 HG2 LYS 23 HG2 LYS 23 0.722 8.182 4.722 686 HG3 LYS 23 HG1 LYS 23 1.315 9.737 4.135 687 HD2 LYS 23 HD2 LYS 23 -0.322 7.844 2.456 688 HD3 LYS 23 HD1 LYS 23 -1.027 9.135 3.431 689 HE2 LYS 23 HE2 LYS 23 1.017 9.518 1.245 690 HE3 LYS 23 HE1 LYS 23 -0.717 9.784 1.072 691 HZ1 LYS 23 HZ1 LYS 23 -0.594 11.511 2.746 692 HZ2 LYS 23 HZ2 LYS 23 0.478 11.849 1.483 693 HZ3 LYS 23 HZ3 LYS 23 1.064 11.242 2.950 694 H ALA 24 HN ALA 24 3.922 5.437 4.583 695 HA ALA 24 HA ALA 24 5.542 4.915 2.291 696 HB1 ALA 24 HB1 ALA 24 6.935 5.075 4.964 697 HB2 ALA 24 HB2 ALA 24 7.188 6.152 3.590 698 HB3 ALA 24 HB3 ALA 24 7.641 4.452 3.472 699 H ALA 25 HN ALA 25 6.732 2.665 2.698 700 HA ALA 25 HA ALA 25 5.552 0.904 4.591 701 HB1 ALA 25 HB1 ALA 25 3.624 1.245 3.068 702 HB2 ALA 25 HB2 ALA 25 4.160 -0.433 3.164 703 HB3 ALA 25 HB3 ALA 25 4.582 0.550 1.760 704 H ARG 26 HN ARG 26 6.132 -1.385 4.185 705 HA ARG 26 HA ARG 26 8.840 -1.543 3.176 706 HB2 ARG 26 HB2 ARG 26 9.014 -3.007 4.857 707 HB3 ARG 26 HB1 ARG 26 7.295 -2.858 5.171 708 HG2 ARG 26 HG2 ARG 26 8.407 -4.764 3.129 709 HG3 ARG 26 HG1 ARG 26 8.197 -5.192 4.826 710 HD2 ARG 26 HD2 ARG 26 6.099 -5.759 4.351 711 HD3 ARG 26 HD1 ARG 26 5.759 -4.055 4.042 712 HE ARG 26 HE ARG 26 6.660 -4.717 1.682 713 HH11 ARG 26 HH11 ARG 26 4.640 -6.639 3.764 714 HH12 ARG 26 HH12 ARG 26 3.865 -7.470 2.459 715 HH21 ARG 26 HH21 ARG 26 5.648 -5.805 -0.041 716 HH22 ARG 26 HH22 ARG 26 4.438 -6.998 0.297 717 H MLY 27 HN MLY 27 9.484 -3.446 1.785 718 HA MLY 27 HA MLY 27 7.342 -4.144 -0.108 719 HB2 MLY 27 HB2 MLY 27 8.975 -2.339 -0.925 720 HB3 MLY 27 HB1 MLY 27 10.165 -3.629 -1.010 721 HG2 MLY 27 HG2 MLY 27 8.375 -4.851 -2.431 722 HG3 MLY 27 HG1 MLY 27 7.683 -3.239 -2.626 723 HD2 MLY 27 HD2 MLY 27 10.535 -3.976 -3.280 724 HD3 MLY 27 HD1 MLY 27 9.226 -3.885 -4.459 725 HE2 MLY 27 HE2 MLY 27 8.892 -1.498 -3.745 726 HE3 MLY 27 HE1 MLY 27 10.376 -1.644 -2.805 727 HH11 MLY 27 HH11 MLY 27 11.134 0.006 -6.021 728 HH12 MLY 27 HH12 MLY 27 9.513 0.041 -5.334 729 HH13 MLY 27 HH13 MLY 27 10.914 0.324 -4.300 730 HH21 MLY 27 HH21 MLY 27 12.632 -1.821 -5.524 731 HH22 MLY 27 HH22 MLY 27 12.441 -1.519 -3.800 732 HH23 MLY 27 HH23 MLY 27 12.120 -3.126 -4.453 733 HZ MLY 27 HZ MLY 27 10.254 -2.226 -5.678 734 H SER 28 HN SER 28 9.942 -5.189 1.842 735 HA SER 28 HA SER 28 10.429 -7.622 0.378 736 HB2 SER 28 HB2 SER 28 12.152 -6.414 1.820 737 HB3 SER 28 HB1 SER 28 11.298 -7.107 3.198 738 HG SER 28 HG SER 28 11.852 -8.936 1.247 739 H ALA 29 HN ALA 29 9.842 -7.548 3.840 740 HA ALA 29 HA ALA 29 8.465 -8.739 5.195 741 HB1 ALA 29 HB1 ALA 29 6.170 -9.129 4.452 742 HB2 ALA 29 HB2 ALA 29 6.635 -8.745 2.795 743 HB3 ALA 29 HB3 ALA 29 6.704 -7.500 4.042 744 HA PRO 30 HA PRO 30 9.128 -13.089 4.878 745 HB2 PRO 30 HB2 PRO 30 6.180 -13.483 5.177 746 HB3 PRO 30 HB1 PRO 30 7.511 -14.252 6.048 747 HG2 PRO 30 HG2 PRO 30 6.087 -12.315 7.186 748 HG3 PRO 30 HG1 PRO 30 7.838 -12.424 7.432 749 HD2 PRO 30 HD2 PRO 30 6.275 -10.526 5.756 750 HD3 PRO 30 HD1 PRO 30 7.805 -10.276 6.620 Start of MODEL 18 1 H MET 1 HT1 MET 1 14.137 -16.225 0.011 2 HA MET 1 HA MET 1 14.801 -14.456 -1.454 3 HB2 MET 1 HB2 MET 1 12.991 -15.929 -3.311 4 HB3 MET 1 HB1 MET 1 13.084 -14.177 -3.454 5 HG2 MET 1 HG2 MET 1 15.510 -14.347 -3.761 6 HG3 MET 1 HG1 MET 1 15.399 -16.101 -3.630 7 HE1 MET 1 HE1 MET 1 14.029 -17.605 -5.330 8 HE2 MET 1 HE2 MET 1 13.289 -17.004 -6.814 9 HE3 MET 1 HE3 MET 1 12.597 -16.579 -5.249 10 H GLU 2 HN GLU 2 11.383 -15.113 -2.067 11 HA GLU 2 HA GLU 2 10.727 -12.790 -0.401 12 HB2 GLU 2 HB2 GLU 2 9.029 -14.090 -2.530 13 HB3 GLU 2 HB1 GLU 2 8.726 -12.555 -1.727 14 HG2 GLU 2 HG2 GLU 2 10.652 -11.571 -2.779 15 HG3 GLU 2 HG1 GLU 2 11.101 -13.125 -3.485 16 H LEU 3 HN LEU 3 10.786 -16.057 -0.179 17 HA LEU 3 HA LEU 3 8.721 -16.041 1.882 18 HB2 LEU 3 HB2 LEU 3 7.794 -18.184 1.106 19 HB3 LEU 3 HB1 LEU 3 7.537 -16.882 -0.037 20 HG LEU 3 HG LEU 3 9.807 -18.832 -0.357 21 HD11 LEU 3 HD11 LEU 3 7.741 -20.123 -0.231 22 HD12 LEU 3 HD12 LEU 3 8.382 -20.107 -1.875 23 HD13 LEU 3 HD13 LEU 3 7.010 -19.083 -1.453 24 HD21 LEU 3 HD21 LEU 3 8.340 -16.986 -2.237 25 HD22 LEU 3 HD22 LEU 3 9.543 -18.174 -2.739 26 HD23 LEU 3 HD23 LEU 3 10.009 -16.841 -1.686 27 H SER 4 HN SER 4 11.107 -15.895 2.764 28 HA SER 4 HA SER 4 11.629 -18.458 3.963 29 HB2 SER 4 HB2 SER 4 13.990 -18.601 3.254 30 HB3 SER 4 HB1 SER 4 12.892 -18.721 1.879 31 HG SER 4 HG SER 4 14.223 -16.354 2.708 32 H ALA 5 HN ALA 5 12.560 -15.109 3.477 33 HA ALA 5 HA ALA 5 12.784 -14.662 6.281 34 HB1 ALA 5 HB1 ALA 5 15.128 -13.866 6.214 35 HB2 ALA 5 HB2 ALA 5 15.285 -14.563 4.602 36 HB3 ALA 5 HB3 ALA 5 14.973 -15.608 5.990 37 H ILE 6 HN ILE 6 12.471 -12.564 6.749 38 HA ILE 6 HA ILE 6 12.482 -10.648 4.515 39 HB ILE 6 HB ILE 6 10.537 -9.847 6.442 40 HG12 ILE 6 HG12 ILE 6 10.055 -12.612 5.303 41 HG13 ILE 6 HG11 ILE 6 10.424 -12.276 6.990 42 HG21 ILE 6 HG21 ILE 6 10.731 -9.241 4.030 43 HG22 ILE 6 HG22 ILE 6 9.109 -9.722 4.529 44 HG23 ILE 6 HG23 ILE 6 10.127 -10.849 3.630 45 HD11 ILE 6 HD11 ILE 6 8.366 -10.982 7.181 46 HD12 ILE 6 HD12 ILE 6 8.049 -12.637 6.661 47 HD13 ILE 6 HD13 ILE 6 7.998 -11.320 5.490 48 H GLY 7 HN GLY 7 14.176 -9.375 4.949 49 HA2 GLY 7 HA2 GLY 7 14.663 -8.522 7.703 50 HA3 GLY 7 HA1 GLY 7 15.762 -8.306 6.349 51 H GLU 8 HN GLU 8 12.567 -7.551 5.626 52 HA GLU 8 HA GLU 8 11.503 -5.614 5.082 53 HB2 GLU 8 HB2 GLU 8 12.933 -4.396 7.441 54 HB3 GLU 8 HB1 GLU 8 11.368 -3.948 6.778 55 HG2 GLU 8 HG2 GLU 8 10.369 -5.961 7.573 56 HG3 GLU 8 HG1 GLU 8 11.936 -6.610 8.051 57 H GLN 9 HN GLN 9 12.028 -3.009 5.093 58 HA GLN 9 HA GLN 9 14.624 -2.169 4.487 59 HB2 GLN 9 HB2 GLN 9 14.443 -1.903 2.028 60 HB3 GLN 9 HB1 GLN 9 14.498 -3.585 2.532 61 HG2 GLN 9 HG2 GLN 9 12.103 -3.781 2.230 62 HG3 GLN 9 HG1 GLN 9 12.000 -2.076 1.798 63 HE21 GLN 9 HE21 GLN 9 11.142 -2.518 -0.221 64 HE22 GLN 9 HE22 GLN 9 12.089 -3.186 -1.503 65 H VAL 10 HN VAL 10 11.218 -1.771 3.603 66 HA VAL 10 HA VAL 10 9.820 0.020 3.648 67 HB VAL 10 HB VAL 10 11.954 1.370 5.295 68 HG11 VAL 10 HG11 VAL 10 9.019 1.941 4.940 69 HG12 VAL 10 HG12 VAL 10 10.372 2.968 4.469 70 HG13 VAL 10 HG13 VAL 10 10.036 2.682 6.175 71 HG21 VAL 10 HG21 VAL 10 9.603 -0.312 6.174 72 HG22 VAL 10 HG22 VAL 10 10.668 0.601 7.245 73 HG23 VAL 10 HG23 VAL 10 11.309 -0.747 6.306 74 H PHE 11 HN PHE 11 9.350 1.615 2.268 75 HA PHE 11 HA PHE 11 11.485 3.252 1.150 76 HB2 PHE 11 HB2 PHE 11 9.742 1.366 -0.401 77 HB3 PHE 11 HB1 PHE 11 10.276 2.861 -1.152 78 HD1 PHE 11 HD2 PHE 11 13.053 2.904 0.181 79 HD2 PHE 11 HD1 PHE 11 10.840 -0.116 -1.833 80 HE1 PHE 11 HE2 PHE 11 15.157 1.807 -0.472 81 HE2 PHE 11 HE1 PHE 11 12.939 -1.222 -2.492 82 HZ PHE 11 HZ PHE 11 15.101 -0.258 -1.813 83 H ALA 12 HN ALA 12 9.928 4.425 -0.875 84 HA ALA 12 HA ALA 12 7.919 5.860 0.730 85 HB1 ALA 12 HB1 ALA 12 8.354 7.676 -1.054 86 HB2 ALA 12 HB2 ALA 12 9.825 6.768 -1.391 87 HB3 ALA 12 HB3 ALA 12 9.546 7.432 0.220 88 H VAL 13 HN VAL 13 5.883 5.455 0.176 89 HA VAL 13 HA VAL 13 5.282 4.374 -2.471 90 HB VAL 13 HB VAL 13 3.702 4.526 0.091 91 HG11 VAL 13 HG11 VAL 13 1.925 3.322 -1.358 92 HG12 VAL 13 HG12 VAL 13 2.678 4.198 -2.690 93 HG13 VAL 13 HG13 VAL 13 1.983 5.084 -1.332 94 HG21 VAL 13 HG21 VAL 13 3.331 2.070 -0.886 95 HG22 VAL 13 HG22 VAL 13 4.672 2.496 0.193 96 HG23 VAL 13 HG23 VAL 13 4.930 2.418 -1.553 97 H GLU 14 HN GLU 14 4.527 5.621 -4.061 98 HA GLU 14 HA GLU 14 3.923 8.335 -3.860 99 HB2 GLU 14 HB2 GLU 14 3.720 6.274 -5.879 100 HB3 GLU 14 HB1 GLU 14 2.263 7.256 -5.892 101 HG2 GLU 14 HG2 GLU 14 5.056 8.355 -6.084 102 HG3 GLU 14 HG1 GLU 14 3.988 8.057 -7.455 103 H SER 15 HN SER 15 1.919 5.466 -3.858 104 HA SER 15 HA SER 15 0.186 5.968 -1.844 105 HB2 SER 15 HB2 SER 15 -0.600 8.029 -2.811 106 HB3 SER 15 HB1 SER 15 -0.844 7.265 -4.380 107 HG SER 15 HG SER 15 -2.446 7.264 -2.145 108 H ILE 16 HN ILE 16 -1.587 4.514 -1.776 109 HA ILE 16 HA ILE 16 -1.107 2.051 -2.958 110 HB ILE 16 HB ILE 16 -3.808 3.020 -1.995 111 HG12 ILE 16 HG12 ILE 16 -1.514 1.827 -0.428 112 HG13 ILE 16 HG11 ILE 16 -2.119 3.477 -0.296 113 HG21 ILE 16 HG21 ILE 16 -4.202 0.678 -1.450 114 HG22 ILE 16 HG22 ILE 16 -2.616 0.250 -2.101 115 HG23 ILE 16 HG23 ILE 16 -3.869 0.880 -3.171 116 HD11 ILE 16 HD11 ILE 16 -2.830 1.791 1.463 117 HD12 ILE 16 HD12 ILE 16 -3.891 1.126 0.235 118 HD13 ILE 16 HD13 ILE 16 -4.078 2.800 0.753 119 H ARG 17 HN ARG 17 -2.565 0.855 -4.439 120 HA ARG 17 HA ARG 17 -3.755 2.558 -6.527 121 HB2 ARG 17 HB2 ARG 17 -1.472 1.019 -6.833 122 HB3 ARG 17 HB1 ARG 17 -2.746 0.014 -7.465 123 HG2 ARG 17 HG2 ARG 17 -3.299 1.518 -9.106 124 HG3 ARG 17 HG1 ARG 17 -2.421 2.835 -8.339 125 HD2 ARG 17 HD2 ARG 17 -0.322 1.603 -8.753 126 HD3 ARG 17 HD1 ARG 17 -1.244 0.369 -9.605 127 HE ARG 17 HE ARG 17 -1.478 3.106 -10.576 128 HH11 ARG 17 HH11 ARG 17 -0.070 -0.061 -10.948 129 HH12 ARG 17 HH12 ARG 17 0.366 0.188 -12.606 130 HH21 ARG 17 HH21 ARG 17 -0.910 3.439 -12.757 131 HH22 ARG 17 HH22 ARG 17 -0.110 2.178 -13.633 132 H LYS 18 HN LYS 18 -3.593 -0.659 -5.075 133 HA LYS 18 HA LYS 18 -6.453 -0.994 -5.639 134 HB2 LYS 18 HB2 LYS 18 -4.378 -3.130 -6.033 135 HB3 LYS 18 HB1 LYS 18 -6.099 -3.277 -6.325 136 HG2 LYS 18 HG2 LYS 18 -6.016 -1.840 -8.172 137 HG3 LYS 18 HG1 LYS 18 -4.399 -1.277 -7.759 138 HD2 LYS 18 HD2 LYS 18 -3.526 -3.519 -8.194 139 HD3 LYS 18 HD1 LYS 18 -5.140 -4.047 -8.649 140 HE2 LYS 18 HE2 LYS 18 -5.184 -2.590 -10.524 141 HE3 LYS 18 HE1 LYS 18 -3.711 -1.786 -9.992 142 HZ1 LYS 18 HZ1 LYS 18 -3.259 -3.323 -11.793 143 HZ2 LYS 18 HZ2 LYS 18 -3.914 -4.604 -10.905 144 HZ3 LYS 18 HZ3 LYS 18 -2.497 -3.849 -10.377 145 H LYS 19 HN LYS 19 -7.238 -3.080 -4.502 146 HA LYS 19 HA LYS 19 -5.898 -3.704 -2.014 147 HB2 LYS 19 HB2 LYS 19 -7.123 -1.840 -1.201 148 HB3 LYS 19 HB1 LYS 19 -8.562 -2.302 -2.094 149 HG2 LYS 19 HG2 LYS 19 -8.744 -4.311 -0.657 150 HG3 LYS 19 HG1 LYS 19 -7.372 -3.719 0.279 151 HD2 LYS 19 HD2 LYS 19 -8.662 -1.673 0.781 152 HD3 LYS 19 HD1 LYS 19 -10.042 -2.364 -0.073 153 HE2 LYS 19 HE2 LYS 19 -9.799 -4.345 1.507 154 HE3 LYS 19 HE1 LYS 19 -8.745 -3.318 2.463 155 HZ1 LYS 19 HZ1 LYS 19 -10.988 -3.209 3.299 156 HZ2 LYS 19 HZ2 LYS 19 -11.582 -2.760 1.781 157 HZ3 LYS 19 HZ3 LYS 19 -10.569 -1.710 2.636 158 H ARG 20 HN ARG 20 -5.950 -5.863 -2.024 159 HA ARG 20 HA ARG 20 -8.467 -7.148 -2.835 160 HB2 ARG 20 HB2 ARG 20 -7.354 -8.826 -3.986 161 HB3 ARG 20 HB1 ARG 20 -6.388 -7.414 -4.366 162 HG2 ARG 20 HG2 ARG 20 -4.652 -8.072 -2.954 163 HG3 ARG 20 HG1 ARG 20 -5.668 -9.238 -2.102 164 HD2 ARG 20 HD2 ARG 20 -5.839 -10.522 -4.238 165 HD3 ARG 20 HD1 ARG 20 -4.651 -9.420 -4.931 166 HE ARG 20 HE ARG 20 -3.869 -10.772 -2.485 167 HH11 ARG 20 HH11 ARG 20 -3.758 -10.690 -5.966 168 HH12 ARG 20 HH12 ARG 20 -2.372 -11.721 -6.075 169 HH21 ARG 20 HH21 ARG 20 -2.044 -12.133 -2.619 170 HH22 ARG 20 HH22 ARG 20 -1.398 -12.543 -4.172 171 H VAL 21 HN VAL 21 -9.345 -8.556 -1.462 172 HA VAL 21 HA VAL 21 -7.837 -9.177 0.988 173 HB VAL 21 HB VAL 21 -10.809 -8.742 0.647 174 HG11 VAL 21 HG11 VAL 21 -9.352 -9.449 3.188 175 HG12 VAL 21 HG12 VAL 21 -10.236 -10.625 2.211 176 HG13 VAL 21 HG13 VAL 21 -11.093 -9.277 2.954 177 HG21 VAL 21 HG21 VAL 21 -8.977 -7.320 2.538 178 HG22 VAL 21 HG22 VAL 21 -10.544 -6.803 1.904 179 HG23 VAL 21 HG23 VAL 21 -9.123 -6.795 0.859 180 H ARG 22 HN ARG 22 -8.100 -11.253 1.912 181 HA ARG 22 HA ARG 22 -9.373 -13.288 0.219 182 HB2 ARG 22 HB2 ARG 22 -6.846 -13.134 -0.119 183 HB3 ARG 22 HB1 ARG 22 -6.700 -13.710 1.532 184 HG2 ARG 22 HG2 ARG 22 -7.870 -15.752 0.955 185 HG3 ARG 22 HG1 ARG 22 -8.097 -15.171 -0.694 186 HD2 ARG 22 HD2 ARG 22 -5.673 -15.117 -1.011 187 HD3 ARG 22 HD1 ARG 22 -5.443 -15.693 0.640 188 HE ARG 22 HE ARG 22 -7.092 -17.494 -0.758 189 HH11 ARG 22 HH11 ARG 22 -3.784 -16.408 -0.631 190 HH12 ARG 22 HH12 ARG 22 -3.134 -17.910 -1.199 191 HH21 ARG 22 HH21 ARG 22 -6.245 -19.476 -1.506 192 HH22 ARG 22 HH22 ARG 22 -4.533 -19.653 -1.695 193 H LYS 23 HN LYS 23 -11.046 -13.750 1.584 194 HA LYS 23 HA LYS 23 -12.147 -14.571 3.397 195 HB2 LYS 23 HB2 LYS 23 -9.409 -15.678 3.958 196 HB3 LYS 23 HB1 LYS 23 -10.806 -16.042 4.961 197 HG2 LYS 23 HG2 LYS 23 -11.847 -17.270 3.296 198 HG3 LYS 23 HG1 LYS 23 -10.901 -16.512 2.018 199 HD2 LYS 23 HD2 LYS 23 -10.143 -18.779 2.330 200 HD3 LYS 23 HD1 LYS 23 -8.891 -17.658 2.870 201 HE2 LYS 23 HE2 LYS 23 -9.049 -19.404 4.489 202 HE3 LYS 23 HE1 LYS 23 -9.743 -17.942 5.189 203 HZ1 LYS 23 HZ1 LYS 23 -11.282 -20.186 4.002 204 HZ2 LYS 23 HZ2 LYS 23 -11.949 -18.781 4.667 205 HZ3 LYS 23 HZ3 LYS 23 -11.114 -19.869 5.656 206 H GLY 24 HN GLY 24 -10.072 -12.144 3.471 207 HA2 GLY 24 HA2 GLY 24 -10.852 -10.443 5.194 208 HA3 GLY 24 HA1 GLY 24 -10.291 -11.635 6.355 209 H LYS 25 HN LYS 25 -8.113 -12.303 4.321 210 HA LYS 25 HA LYS 25 -6.108 -10.631 5.420 211 HB2 LYS 25 HB2 LYS 25 -5.916 -12.429 3.007 212 HB3 LYS 25 HB1 LYS 25 -4.580 -11.840 3.980 213 HG2 LYS 25 HG2 LYS 25 -5.168 -13.201 5.801 214 HG3 LYS 25 HG1 LYS 25 -6.759 -13.549 5.124 215 HD2 LYS 25 HD2 LYS 25 -5.455 -15.484 4.752 216 HD3 LYS 25 HD1 LYS 25 -5.564 -14.647 3.201 217 HE2 LYS 25 HE2 LYS 25 -3.357 -13.652 3.603 218 HE3 LYS 25 HE1 LYS 25 -3.241 -14.542 5.121 219 HZ1 LYS 25 HZ1 LYS 25 -3.319 -16.607 3.899 220 HZ2 LYS 25 HZ2 LYS 25 -2.057 -15.646 3.308 221 HZ3 LYS 25 HZ3 LYS 25 -3.497 -15.780 2.432 222 H VAL 26 HN VAL 26 -6.165 -8.516 4.923 223 HA VAL 26 HA VAL 26 -6.937 -7.608 2.300 224 HB VAL 26 HB VAL 26 -5.837 -5.994 4.589 225 HG11 VAL 26 HG11 VAL 26 -7.522 -5.143 2.239 226 HG12 VAL 26 HG12 VAL 26 -5.777 -4.913 2.359 227 HG13 VAL 26 HG13 VAL 26 -6.853 -4.099 3.494 228 HG21 VAL 26 HG21 VAL 26 -8.719 -6.130 3.935 229 HG22 VAL 26 HG22 VAL 26 -7.938 -5.748 5.467 230 HG23 VAL 26 HG23 VAL 26 -8.008 -7.419 4.900 231 H GLU 27 HN GLU 27 -5.700 -6.517 0.840 232 HA GLU 27 HA GLU 27 -2.814 -6.331 1.254 233 HB2 GLU 27 HB2 GLU 27 -4.095 -7.558 -1.195 234 HB3 GLU 27 HB1 GLU 27 -2.375 -7.269 -0.970 235 HG2 GLU 27 HG2 GLU 27 -2.975 -8.741 1.230 236 HG3 GLU 27 HG1 GLU 27 -4.076 -9.418 0.036 237 H TYR 28 HN TYR 28 -1.808 -4.845 -0.329 238 HA TYR 28 HA TYR 28 -3.715 -3.049 -1.625 239 HB2 TYR 28 HB2 TYR 28 -1.707 -2.255 0.466 240 HB3 TYR 28 HB1 TYR 28 -2.377 -1.098 -0.665 241 HD1 TYR 28 HD1 TYR 28 -5.071 -1.232 -0.791 242 HD2 TYR 28 HD2 TYR 28 -2.702 -2.388 2.545 243 HE1 TYR 28 HE1 TYR 28 -6.999 -0.917 0.689 244 HE2 TYR 28 HE2 TYR 28 -4.626 -2.060 4.028 245 HH TYR 28 HH TYR 28 -6.737 -0.807 4.063 246 H LEU 29 HN LEU 29 -3.102 -2.728 -3.656 247 HA LEU 29 HA LEU 29 -0.421 -3.305 -4.533 248 HB2 LEU 29 HB2 LEU 29 -2.584 -3.682 -5.874 249 HB3 LEU 29 HB1 LEU 29 -2.602 -1.955 -6.131 250 HG LEU 29 HG LEU 29 -1.626 -3.516 -7.964 251 HD11 LEU 29 HD11 LEU 29 -1.607 -1.102 -8.017 252 HD12 LEU 29 HD12 LEU 29 -0.132 -1.780 -8.691 253 HD13 LEU 29 HD13 LEU 29 -0.126 -1.082 -7.069 254 HD21 LEU 29 HD21 LEU 29 0.752 -3.199 -6.187 255 HD22 LEU 29 HD22 LEU 29 0.741 -3.931 -7.789 256 HD23 LEU 29 HD23 LEU 29 -0.099 -4.716 -6.448 257 H VAL 30 HN VAL 30 0.831 -1.773 -3.385 258 HA VAL 30 HA VAL 30 0.217 1.025 -3.552 259 HB VAL 30 HB VAL 30 2.351 1.380 -2.405 260 HG11 VAL 30 HG11 VAL 30 1.785 0.235 -0.325 261 HG12 VAL 30 HG12 VAL 30 0.700 -0.840 -1.206 262 HG13 VAL 30 HG13 VAL 30 0.344 0.884 -1.107 263 HG21 VAL 30 HG21 VAL 30 3.718 -0.523 -1.709 264 HG22 VAL 30 HG22 VAL 30 3.640 -0.402 -3.467 265 HG23 VAL 30 HG23 VAL 30 2.674 -1.612 -2.623 266 H LYS 31 HN LYS 31 1.292 2.634 -4.633 267 HA LYS 31 HA LYS 31 2.851 1.763 -6.959 268 HB2 LYS 31 HB2 LYS 31 0.830 3.042 -7.494 269 HB3 LYS 31 HB1 LYS 31 1.355 4.345 -6.437 270 HG2 LYS 31 HG2 LYS 31 3.406 4.512 -7.943 271 HG3 LYS 31 HG1 LYS 31 2.509 3.496 -9.071 272 HD2 LYS 31 HD2 LYS 31 1.356 6.032 -7.943 273 HD3 LYS 31 HD1 LYS 31 2.358 6.025 -9.395 274 HE2 LYS 31 HE2 LYS 31 0.115 5.944 -10.138 275 HE3 LYS 31 HE1 LYS 31 0.762 4.318 -10.343 276 HZ1 LYS 31 HZ1 LYS 31 -0.857 5.176 -8.008 277 HZ2 LYS 31 HZ2 LYS 31 -0.367 3.601 -8.384 278 HZ3 LYS 31 HZ3 LYS 31 -1.494 4.392 -9.365 279 H TRP 32 HN TRP 32 4.950 1.874 -6.608 280 HA TRP 32 HA TRP 32 6.150 3.433 -4.563 281 HB2 TRP 32 HB2 TRP 32 7.384 2.008 -6.926 282 HB3 TRP 32 HB1 TRP 32 8.279 2.659 -5.564 283 HD1 TRP 32 HD1 TRP 32 7.100 -0.496 -6.761 284 HE1 TRP 32 HE1 TRP 32 6.857 -2.225 -4.873 285 HE3 TRP 32 HE3 TRP 32 7.204 2.660 -2.744 286 HZ2 TRP 32 HZ2 TRP 32 6.735 -2.253 -2.059 287 HZ3 TRP 32 HZ3 TRP 32 7.034 1.699 -0.486 288 HH2 TRP 32 HH2 TRP 32 6.796 -0.707 -0.152 289 H LYS 33 HN LYS 33 6.873 5.458 -4.596 290 HA LYS 33 HA LYS 33 6.327 7.227 -6.694 291 HB2 LYS 33 HB2 LYS 33 6.558 7.924 -4.357 292 HB3 LYS 33 HB1 LYS 33 8.277 7.564 -4.418 293 HG2 LYS 33 HG2 LYS 33 8.772 9.437 -5.587 294 HG3 LYS 33 HG1 LYS 33 7.242 9.427 -6.458 295 HD2 LYS 33 HD2 LYS 33 7.204 11.313 -5.017 296 HD3 LYS 33 HD1 LYS 33 6.130 10.097 -4.321 297 HE2 LYS 33 HE2 LYS 33 7.460 11.055 -2.562 298 HE3 LYS 33 HE1 LYS 33 7.973 9.389 -2.835 299 HZ1 LYS 33 HZ1 LYS 33 9.346 11.797 -3.902 300 HZ2 LYS 33 HZ2 LYS 33 9.847 10.195 -4.109 301 HZ3 LYS 33 HZ3 LYS 33 9.858 10.890 -2.568 302 H GLY 34 HN GLY 34 9.533 6.157 -5.541 303 HA2 GLY 34 HA2 GLY 34 10.852 7.268 -7.830 304 HA3 GLY 34 HA1 GLY 34 11.592 6.292 -6.574 305 H TRP 35 HN TRP 35 8.822 4.928 -8.134 306 HA TRP 35 HA TRP 35 10.513 3.489 -10.041 307 HB2 TRP 35 HB2 TRP 35 8.868 2.209 -7.873 308 HB3 TRP 35 HB1 TRP 35 9.336 1.337 -9.322 309 HD1 TRP 35 HD1 TRP 35 10.917 3.011 -6.227 310 HE1 TRP 35 HE1 TRP 35 13.214 1.923 -5.818 311 HE3 TRP 35 HE3 TRP 35 11.162 0.038 -10.383 312 HZ2 TRP 35 HZ2 TRP 35 14.903 0.050 -7.085 313 HZ3 TRP 35 HZ3 TRP 35 13.151 -1.374 -10.706 314 HH2 TRP 35 HH2 TRP 35 14.983 -1.365 -9.092 315 HA PRO 36 HA PRO 36 7.139 3.770 -12.872 316 HB2 PRO 36 HB2 PRO 36 7.575 0.914 -13.514 317 HB3 PRO 36 HB1 PRO 36 7.634 2.321 -14.574 318 HG2 PRO 36 HG2 PRO 36 9.867 1.079 -13.843 319 HG3 PRO 36 HG1 PRO 36 9.803 2.843 -13.964 320 HD2 PRO 36 HD2 PRO 36 9.682 1.105 -11.533 321 HD3 PRO 36 HD1 PRO 36 10.563 2.624 -11.786 322 HA PRO 37 HA PRO 37 3.593 2.108 -10.690 323 HB2 PRO 37 HB2 PRO 37 1.798 2.130 -12.795 324 HB3 PRO 37 HB1 PRO 37 2.162 3.530 -11.783 325 HG2 PRO 37 HG2 PRO 37 3.209 2.822 -14.489 326 HG3 PRO 37 HG1 PRO 37 2.756 4.408 -13.839 327 HD2 PRO 37 HD2 PRO 37 5.327 3.646 -14.061 328 HD3 PRO 37 HD1 PRO 37 4.765 4.661 -12.716 329 H LYS 38 HN LYS 38 5.044 0.908 -13.489 330 HA LYS 38 HA LYS 38 3.647 -1.541 -13.834 331 HB2 LYS 38 HB2 LYS 38 4.734 -0.804 -15.719 332 HB3 LYS 38 HB1 LYS 38 6.140 -0.274 -14.821 333 HG2 LYS 38 HG2 LYS 38 6.564 -2.774 -14.426 334 HG3 LYS 38 HG1 LYS 38 5.423 -3.017 -15.751 335 HD2 LYS 38 HD2 LYS 38 7.702 -2.957 -16.585 336 HD3 LYS 38 HD1 LYS 38 6.781 -1.576 -17.177 337 HE2 LYS 38 HE2 LYS 38 7.826 -0.101 -15.599 338 HE3 LYS 38 HE1 LYS 38 8.570 -1.463 -14.763 339 HZ1 LYS 38 HZ1 LYS 38 10.130 -0.271 -16.210 340 HZ2 LYS 38 HZ2 LYS 38 9.183 -0.662 -17.556 341 HZ3 LYS 38 HZ3 LYS 38 9.947 -1.888 -16.675 342 H TYR 39 HN TYR 39 6.148 -0.428 -11.763 343 HA TYR 39 HA TYR 39 6.925 -3.132 -11.009 344 HB2 TYR 39 HB2 TYR 39 8.089 -0.421 -10.623 345 HB3 TYR 39 HB1 TYR 39 8.439 -1.632 -9.403 346 HD1 TYR 39 HD2 TYR 39 9.704 -3.663 -9.989 347 HD2 TYR 39 HD1 TYR 39 9.048 -0.541 -12.794 348 HE1 TYR 39 HE2 TYR 39 11.510 -4.562 -11.396 349 HE2 TYR 39 HE1 TYR 39 10.850 -1.421 -14.204 350 HH TYR 39 HH TYR 39 12.851 -2.821 -13.990 351 H SER 40 HN SER 40 4.366 -1.386 -10.268 352 HA SER 40 HA SER 40 4.271 -0.941 -7.555 353 HB2 SER 40 HB2 SER 40 2.095 -2.109 -9.297 354 HB3 SER 40 HB1 SER 40 1.850 -1.496 -7.667 355 HG SER 40 HG SER 40 1.834 0.454 -8.436 356 H THR 41 HN THR 41 3.554 -2.234 -5.752 357 HA THR 41 HA THR 41 3.773 -5.125 -6.195 358 HB THR 41 HB THR 41 5.253 -5.425 -4.284 359 HG1 THR 41 HG1 THR 41 5.412 -3.846 -2.894 360 HG21 THR 41 HG21 THR 41 6.181 -4.984 -6.596 361 HG22 THR 41 HG22 THR 41 7.282 -4.648 -5.262 362 HG23 THR 41 HG23 THR 41 6.458 -3.321 -6.079 363 H TRP 42 HN TRP 42 2.773 -6.443 -4.674 364 HA TRP 42 HA TRP 42 0.579 -5.167 -3.265 365 HB2 TRP 42 HB2 TRP 42 1.261 -8.027 -3.916 366 HB3 TRP 42 HB1 TRP 42 -0.050 -7.616 -2.816 367 HD1 TRP 42 HD1 TRP 42 0.790 -7.859 -6.471 368 HE1 TRP 42 HE1 TRP 42 -1.285 -7.255 -7.868 369 HE3 TRP 42 HE3 TRP 42 -2.176 -5.979 -2.754 370 HZ2 TRP 42 HZ2 TRP 42 -3.836 -6.126 -7.446 371 HZ3 TRP 42 HZ3 TRP 42 -4.423 -5.161 -3.340 372 HH2 TRP 42 HH2 TRP 42 -5.230 -5.234 -5.647 373 H GLU 43 HN GLU 43 0.293 -5.127 -1.097 374 HA GLU 43 HA GLU 43 2.088 -6.597 0.645 375 HB2 GLU 43 HB2 GLU 43 2.282 -4.189 1.866 376 HB3 GLU 43 HB1 GLU 43 3.495 -4.833 0.765 377 HG2 GLU 43 HG2 GLU 43 2.398 -3.622 -1.087 378 HG3 GLU 43 HG1 GLU 43 1.279 -2.916 0.080 379 HA PRO 44 HA PRO 44 -1.797 -7.091 2.782 380 HB2 PRO 44 HB2 PRO 44 0.064 -7.401 5.094 381 HB3 PRO 44 HB1 PRO 44 -1.300 -8.412 4.604 382 HG2 PRO 44 HG2 PRO 44 1.186 -9.189 4.117 383 HG3 PRO 44 HG1 PRO 44 -0.092 -9.455 2.919 384 HD2 PRO 44 HD2 PRO 44 2.110 -7.444 2.930 385 HD3 PRO 44 HD1 PRO 44 1.356 -8.288 1.563 386 H GLU 45 HN GLU 45 -3.068 -6.000 4.223 387 HA GLU 45 HA GLU 45 -2.670 -3.250 4.494 388 HB2 GLU 45 HB2 GLU 45 -4.870 -4.198 4.453 389 HB3 GLU 45 HB1 GLU 45 -4.555 -5.156 5.887 390 HG2 GLU 45 HG2 GLU 45 -4.405 -2.185 6.021 391 HG3 GLU 45 HG1 GLU 45 -5.969 -2.980 6.016 392 H GLU 46 HN GLU 46 -1.485 -5.837 6.386 393 HA GLU 46 HA GLU 46 -1.149 -4.277 8.799 394 HB2 GLU 46 HB2 GLU 46 -0.146 -7.030 8.064 395 HB3 GLU 46 HB1 GLU 46 0.016 -6.290 9.650 396 HG2 GLU 46 HG2 GLU 46 -2.441 -6.173 9.810 397 HG3 GLU 46 HG1 GLU 46 -2.555 -7.008 8.261 398 H HIS 47 HN HIS 47 0.742 -5.171 6.000 399 HA HIS 47 HA HIS 47 3.256 -4.399 7.166 400 HB2 HIS 47 HB2 HIS 47 2.457 -5.040 4.328 401 HB3 HIS 47 HB1 HIS 47 4.093 -4.603 4.794 402 HD1 HIS 47 HD1 HIS 47 1.500 -7.257 5.613 403 HD2 HIS 47 HD2 HIS 47 5.618 -6.707 5.582 404 HE1 HIS 47 HE1 HIS 47 2.481 -9.505 6.165 405 HE2 HIS 47 HE2 HIS 47 4.975 -9.140 6.180 406 H ILE 48 HN ILE 48 0.726 -2.789 5.366 407 HA ILE 48 HA ILE 48 2.143 -0.586 4.383 408 HB ILE 48 HB ILE 48 -0.621 -0.366 5.591 409 HG12 ILE 48 HG12 ILE 48 -0.494 -2.315 4.040 410 HG13 ILE 48 HG11 ILE 48 -1.558 -1.040 3.465 411 HG21 ILE 48 HG21 ILE 48 -0.845 1.319 3.706 412 HG22 ILE 48 HG22 ILE 48 0.900 1.173 3.508 413 HG23 ILE 48 HG23 ILE 48 0.233 1.758 5.031 414 HD11 ILE 48 HD11 ILE 48 -0.167 -0.473 1.739 415 HD12 ILE 48 HD12 ILE 48 0.093 -2.214 1.840 416 HD13 ILE 48 HD13 ILE 48 1.271 -1.104 2.542 417 H LEU 49 HN LEU 49 3.603 0.366 5.578 418 HA LEU 49 HA LEU 49 3.524 0.607 8.393 419 HB2 LEU 49 HB2 LEU 49 5.241 2.168 6.495 420 HB3 LEU 49 HB1 LEU 49 5.592 1.779 8.160 421 HG LEU 49 HG LEU 49 5.292 -0.355 6.074 422 HD11 LEU 49 HD11 LEU 49 6.946 1.092 5.210 423 HD12 LEU 49 HD12 LEU 49 7.753 -0.319 5.894 424 HD13 LEU 49 HD13 LEU 49 7.750 1.212 6.774 425 HD21 LEU 49 HD21 LEU 49 5.199 -1.093 8.332 426 HD22 LEU 49 HD22 LEU 49 6.665 -0.211 8.743 427 HD23 LEU 49 HD23 LEU 49 6.738 -1.588 7.640 428 H ASP 50 HN ASP 50 1.648 2.226 6.263 429 HA ASP 50 HA ASP 50 1.335 4.445 8.130 430 HB2 ASP 50 HB2 ASP 50 1.863 4.790 5.177 431 HB3 ASP 50 HB1 ASP 50 1.169 6.054 6.191 432 HA PRO 51 HA PRO 51 -2.888 3.095 7.187 433 HB2 PRO 51 HB2 PRO 51 -3.560 5.028 9.285 434 HB3 PRO 51 HB1 PRO 51 -3.892 3.299 9.224 435 HG2 PRO 51 HG2 PRO 51 -2.089 4.324 10.924 436 HG3 PRO 51 HG1 PRO 51 -1.844 2.747 10.150 437 HD2 PRO 51 HD2 PRO 51 -0.657 5.402 9.447 438 HD3 PRO 51 HD1 PRO 51 0.108 3.803 9.518 439 H ARG 52 HN ARG 52 -1.345 6.128 7.026 440 HA ARG 52 HA ARG 52 -3.571 7.726 6.265 441 HB2 ARG 52 HB2 ARG 52 -0.603 8.028 5.762 442 HB3 ARG 52 HB1 ARG 52 -1.789 9.218 5.245 443 HG2 ARG 52 HG2 ARG 52 -0.968 10.057 7.250 444 HG3 ARG 52 HG1 ARG 52 -2.501 9.310 7.696 445 HD2 ARG 52 HD2 ARG 52 -1.372 7.370 8.544 446 HD3 ARG 52 HD1 ARG 52 0.180 7.956 7.946 447 HE ARG 52 HE ARG 52 -1.111 9.729 9.812 448 HH11 ARG 52 HH11 ARG 52 1.029 7.003 9.442 449 HH12 ARG 52 HH12 ARG 52 1.815 7.250 10.966 450 HH21 ARG 52 HH21 ARG 52 -0.081 10.062 11.818 451 HH22 ARG 52 HH22 ARG 52 1.183 8.988 12.316 452 H LEU 53 HN LEU 53 -1.226 5.730 4.636 453 HA LEU 53 HA LEU 53 -1.904 6.253 1.953 454 HB2 LEU 53 HB2 LEU 53 -0.608 3.999 3.442 455 HB3 LEU 53 HB1 LEU 53 -1.018 3.783 1.759 456 HG LEU 53 HG LEU 53 0.688 6.071 2.707 457 HD11 LEU 53 HD11 LEU 53 1.471 3.273 1.923 458 HD12 LEU 53 HD12 LEU 53 1.885 4.149 3.397 459 HD13 LEU 53 HD13 LEU 53 2.587 4.638 1.854 460 HD21 LEU 53 HD21 LEU 53 0.303 4.735 0.034 461 HD22 LEU 53 HD22 LEU 53 1.408 6.071 0.367 462 HD23 LEU 53 HD23 LEU 53 -0.334 6.310 0.511 463 H VAL 54 HN VAL 54 -2.977 3.829 4.283 464 HA VAL 54 HA VAL 54 -4.812 2.460 2.635 465 HB VAL 54 HB VAL 54 -4.638 2.744 5.638 466 HG11 VAL 54 HG11 VAL 54 -6.756 1.669 4.041 467 HG12 VAL 54 HG12 VAL 54 -6.648 1.819 5.793 468 HG13 VAL 54 HG13 VAL 54 -6.006 0.388 4.986 469 HG21 VAL 54 HG21 VAL 54 -3.800 0.564 3.744 470 HG22 VAL 54 HG22 VAL 54 -3.742 0.447 5.501 471 HG23 VAL 54 HG23 VAL 54 -2.737 1.628 4.660 472 H MET 55 HN MET 55 -5.466 4.720 5.293 473 HA MET 55 HA MET 55 -8.146 5.058 5.063 474 HB2 MET 55 HB2 MET 55 -6.487 6.165 6.678 475 HB3 MET 55 HB1 MET 55 -6.348 7.423 5.472 476 HG2 MET 55 HG2 MET 55 -8.052 8.399 6.499 477 HG3 MET 55 HG1 MET 55 -9.054 7.157 5.767 478 HE1 MET 55 HE1 MET 55 -7.894 4.680 7.140 479 HE2 MET 55 HE2 MET 55 -9.656 4.719 7.251 480 HE3 MET 55 HE3 MET 55 -8.688 4.428 8.697 481 H ALA 56 HN ALA 56 -5.708 6.995 3.349 482 HA ALA 56 HA ALA 56 -7.448 8.545 1.825 483 HB1 ALA 56 HB1 ALA 56 -4.711 7.577 1.047 484 HB2 ALA 56 HB2 ALA 56 -5.044 8.988 2.045 485 HB3 ALA 56 HB3 ALA 56 -5.559 8.957 0.356 486 H TYR 57 HN TYR 57 -6.082 5.340 1.188 487 HA TYR 57 HA TYR 57 -6.991 5.018 -1.434 488 HB2 TYR 57 HB2 TYR 57 -5.424 3.449 -0.387 489 HB3 TYR 57 HB1 TYR 57 -6.692 2.903 0.709 490 HD1 TYR 57 HD1 TYR 57 -5.576 2.945 -2.792 491 HD2 TYR 57 HD2 TYR 57 -8.346 1.354 -0.000 492 HE1 TYR 57 HE1 TYR 57 -6.321 1.308 -4.480 493 HE2 TYR 57 HE2 TYR 57 -9.099 -0.290 -1.666 494 HH TYR 57 HH TYR 57 -9.135 -0.558 -4.100 495 H GLU 58 HN GLU 58 -8.482 3.919 1.596 496 HA GLU 58 HA GLU 58 -10.930 3.144 0.449 497 HB2 GLU 58 HB2 GLU 58 -10.637 4.028 3.266 498 HB3 GLU 58 HB1 GLU 58 -11.709 2.804 2.628 499 HG2 GLU 58 HG2 GLU 58 -9.767 1.384 2.168 500 HG3 GLU 58 HG1 GLU 58 -8.718 2.612 2.872 501 H GLU 59 HN GLU 59 -9.597 6.152 0.897 502 HA GLU 59 HA GLU 59 -12.059 7.567 1.435 503 HB2 GLU 59 HB2 GLU 59 -10.602 9.082 2.208 504 HB3 GLU 59 HB1 GLU 59 -9.254 8.141 1.580 505 HG2 GLU 59 HG2 GLU 59 -9.371 9.278 -0.522 506 HG3 GLU 59 HG1 GLU 59 -10.834 10.131 -0.030 507 H LYS 60 HN LYS 60 -9.923 6.879 -1.274 508 HA LYS 60 HA LYS 60 -11.197 8.542 -3.166 509 HB2 LYS 60 HB2 LYS 60 -9.762 5.953 -3.743 510 HB3 LYS 60 HB1 LYS 60 -9.982 7.317 -4.828 511 HG2 LYS 60 HG2 LYS 60 -8.247 8.422 -3.985 512 HG3 LYS 60 HG1 LYS 60 -8.637 7.973 -2.323 513 HD2 LYS 60 HD2 LYS 60 -6.677 6.835 -2.625 514 HD3 LYS 60 HD1 LYS 60 -7.840 5.607 -3.118 515 HE2 LYS 60 HE2 LYS 60 -7.527 6.330 -5.470 516 HE3 LYS 60 HE1 LYS 60 -6.265 7.434 -4.927 517 HZ1 LYS 60 HZ1 LYS 60 -5.347 5.355 -5.757 518 HZ2 LYS 60 HZ2 LYS 60 -6.223 4.482 -4.602 519 HZ3 LYS 60 HZ3 LYS 60 -5.005 5.549 -4.111 520 H GLU 61 HN GLU 61 -11.591 5.137 -2.260 521 HA GLU 61 HA GLU 61 -13.570 4.542 -4.179 522 HB2 GLU 61 HB2 GLU 61 -14.125 2.603 -2.805 523 HB3 GLU 61 HB1 GLU 61 -12.391 2.780 -3.005 524 HG2 GLU 61 HG2 GLU 61 -12.377 3.928 -0.786 525 HG3 GLU 61 HG1 GLU 61 -14.037 3.375 -0.583 526 H GLU 62 HN GLU 62 -13.940 5.386 -0.753 527 HA GLU 62 HA GLU 62 -16.655 5.402 -0.528 528 HB2 GLU 62 HB2 GLU 62 -14.633 7.321 0.605 529 HB3 GLU 62 HB1 GLU 62 -16.341 7.452 0.994 530 HG2 GLU 62 HG2 GLU 62 -16.239 5.073 1.785 531 HG3 GLU 62 HG1 GLU 62 -14.489 5.171 1.600 532 H ARG 63 HN ARG 63 -14.765 8.251 -1.480 533 HA ARG 63 HA ARG 63 -16.838 9.938 -2.161 534 HB2 ARG 63 HB2 ARG 63 -14.164 10.148 -2.117 535 HB3 ARG 63 HB1 ARG 63 -14.471 10.111 -3.839 536 HG2 ARG 63 HG2 ARG 63 -14.874 12.273 -3.739 537 HG3 ARG 63 HG1 ARG 63 -16.352 11.883 -2.853 538 HD2 ARG 63 HD2 ARG 63 -13.674 12.198 -1.538 539 HD3 ARG 63 HD1 ARG 63 -14.803 13.538 -1.739 540 HE ARG 63 HE ARG 63 -16.350 11.782 -0.498 541 HH11 ARG 63 HH11 ARG 63 -13.046 12.681 0.152 542 HH12 ARG 63 HH12 ARG 63 -13.161 12.368 1.850 543 HH21 ARG 63 HH21 ARG 63 -16.509 11.370 1.738 544 HH22 ARG 63 HH22 ARG 63 -15.129 11.624 2.752 545 H ASP 64 HN ASP 64 -15.423 7.358 -4.068 546 HA ASP 64 HA ASP 64 -16.960 8.211 -6.403 547 HB2 ASP 64 HB2 ASP 64 -14.545 7.569 -6.598 548 HB3 ASP 64 HB1 ASP 64 -15.015 5.926 -6.211 549 H ARG 65 HN ARG 65 -16.282 5.018 -4.971 550 HA ARG 65 HA ARG 65 -18.526 3.809 -6.060 551 HB2 ARG 65 HB2 ARG 65 -17.993 1.882 -4.820 552 HB3 ARG 65 HB1 ARG 65 -16.514 2.643 -5.374 553 HG2 ARG 65 HG2 ARG 65 -15.991 3.440 -3.314 554 HG3 ARG 65 HG1 ARG 65 -17.594 3.165 -2.674 555 HD2 ARG 65 HD2 ARG 65 -17.257 0.742 -2.940 556 HD3 ARG 65 HD1 ARG 65 -15.623 1.067 -3.510 557 HE ARG 65 HE ARG 65 -15.427 2.185 -1.170 558 HH11 ARG 65 HH11 ARG 65 -17.181 -0.721 -1.954 559 HH12 ARG 65 HH12 ARG 65 -17.005 -1.410 -0.375 560 HH21 ARG 65 HH21 ARG 65 -15.194 1.285 0.919 561 HH22 ARG 65 HH22 ARG 65 -15.874 -0.272 1.256 562 H ALA 66 HN ALA 66 -17.949 4.931 -2.784 563 HA ALA 66 HA ALA 66 -20.554 4.158 -1.868 564 HB1 ALA 66 HB1 ALA 66 -18.435 4.385 -0.475 565 HB2 ALA 66 HB2 ALA 66 -19.939 4.977 0.228 566 HB3 ALA 66 HB3 ALA 66 -18.776 6.114 -0.454 567 H SER 67 HN SER 67 -19.757 6.538 -3.930 568 HA SER 67 HA SER 67 -22.024 8.194 -3.042 569 HB2 SER 67 HB2 SER 67 -19.513 9.254 -4.350 570 HB3 SER 67 HB1 SER 67 -20.888 10.205 -3.792 571 HG SER 67 HG SER 67 -20.136 8.783 -1.736 572 H GLY 68 HN GLY 68 -20.987 6.115 -5.310 573 HA2 GLY 68 HA2 GLY 68 -21.710 7.444 -7.730 574 HA3 GLY 68 HA1 GLY 68 -21.489 5.714 -7.522 575 H TYR 69 HN TYR 69 -23.274 5.013 -8.613 576 HA TYR 69 HA TYR 69 -25.886 5.929 -7.607 577 HB2 TYR 69 HB2 TYR 69 -25.157 4.715 -10.279 578 HB3 TYR 69 HB1 TYR 69 -26.801 5.082 -9.766 579 HD1 TYR 69 HD2 TYR 69 -27.563 7.395 -9.589 580 HD2 TYR 69 HD1 TYR 69 -23.628 6.478 -10.919 581 HE1 TYR 69 HE2 TYR 69 -27.321 9.690 -10.441 582 HE2 TYR 69 HE1 TYR 69 -23.376 8.764 -11.773 583 HH TYR 69 HH TYR 69 -24.759 10.628 -12.492 584 H ARG 70 HN ARG 70 -26.454 4.561 -6.027 585 HA ARG 70 HA ARG 70 -26.436 1.682 -6.649 586 HB2 ARG 70 HB2 ARG 70 -26.104 1.263 -4.228 587 HB3 ARG 70 HB1 ARG 70 -24.746 2.079 -4.982 588 HG2 ARG 70 HG2 ARG 70 -25.560 4.217 -4.077 589 HG3 ARG 70 HG1 ARG 70 -26.876 3.346 -3.287 590 HD2 ARG 70 HD2 ARG 70 -25.267 2.031 -2.039 591 HD3 ARG 70 HD1 ARG 70 -23.941 2.904 -2.804 592 HE ARG 70 HE ARG 70 -25.563 4.809 -1.623 593 HH11 ARG 70 HH11 ARG 70 -23.653 2.082 -0.594 594 HH12 ARG 70 HH12 ARG 70 -23.306 2.751 0.965 595 HH21 ARG 70 HH21 ARG 70 -25.110 5.696 0.428 596 HH22 ARG 70 HH22 ARG 70 -24.133 4.804 1.547 597 H LYS 71 HN LYS 71 -27.794 0.857 -4.353 598 HA LYS 71 HA LYS 71 -30.492 1.474 -5.116 599 HB2 LYS 71 HB2 LYS 71 -29.794 -0.796 -4.421 600 HB3 LYS 71 HB1 LYS 71 -29.475 -0.187 -2.803 601 HG2 LYS 71 HG2 LYS 71 -31.818 0.348 -2.509 602 HG3 LYS 71 HG1 LYS 71 -32.163 -0.168 -4.160 603 HD2 LYS 71 HD2 LYS 71 -31.413 -2.441 -3.589 604 HD3 LYS 71 HD1 LYS 71 -31.121 -1.913 -1.930 605 HE2 LYS 71 HE2 LYS 71 -33.483 -1.381 -1.668 606 HE3 LYS 71 HE1 LYS 71 -33.787 -1.850 -3.341 607 HZ1 LYS 71 HZ1 LYS 71 -34.385 -3.610 -1.795 608 HZ2 LYS 71 HZ2 LYS 71 -32.804 -3.656 -1.197 609 HZ3 LYS 71 HZ3 LYS 71 -33.115 -4.103 -2.798 610 H1 ALA 15 HT1 ALA 15 -12.167 17.054 13.834 611 H2 ALA 15 HT2 ALA 15 -11.680 17.236 12.224 612 H3 ALA 15 HT3 ALA 15 -11.838 18.595 13.217 613 HA ALA 15 HA ALA 15 -10.039 17.825 14.617 614 HB1 ALA 15 HB1 ALA 15 -10.372 15.431 14.246 615 HB2 ALA 15 HB2 ALA 15 -8.701 15.903 13.938 616 HB3 ALA 15 HB3 ALA 15 -9.796 15.606 12.588 617 HA PRO 16 HA PRO 16 -7.741 20.543 11.968 618 HB2 PRO 16 HB2 PRO 16 -5.360 19.776 13.538 619 HB3 PRO 16 HB1 PRO 16 -6.104 21.364 13.327 620 HG2 PRO 16 HG2 PRO 16 -6.294 20.036 15.643 621 HG3 PRO 16 HG1 PRO 16 -7.634 21.021 15.026 622 HD2 PRO 16 HD2 PRO 16 -7.280 18.048 14.962 623 HD3 PRO 16 HD1 PRO 16 -8.741 19.001 15.299 624 H ARG 17 HN ARG 17 -7.325 19.865 9.957 625 HA ARG 17 HA ARG 17 -5.485 17.603 9.582 626 HB2 ARG 17 HB2 ARG 17 -6.482 17.713 7.180 627 HB3 ARG 17 HB1 ARG 17 -7.427 16.998 8.478 628 HG2 ARG 17 HG2 ARG 17 -8.907 18.358 7.257 629 HG3 ARG 17 HG1 ARG 17 -8.546 19.241 8.740 630 HD2 ARG 17 HD2 ARG 17 -6.900 20.592 7.526 631 HD3 ARG 17 HD1 ARG 17 -7.273 19.710 6.045 632 HE ARG 17 HE ARG 17 -9.631 20.824 7.126 633 HH11 ARG 17 HH11 ARG 17 -6.699 21.741 5.479 634 HH12 ARG 17 HH12 ARG 17 -7.403 23.137 4.733 635 HH21 ARG 17 HH21 ARG 17 -10.565 22.656 6.148 636 HH22 ARG 17 HH22 ARG 17 -9.602 23.657 5.112 637 H LYS 18 HN LYS 18 -4.558 17.879 7.124 638 HA LYS 18 HA LYS 18 -2.910 18.851 5.901 639 HB2 LYS 18 HB2 LYS 18 -4.721 20.413 5.323 640 HB3 LYS 18 HB1 LYS 18 -4.310 21.406 6.714 641 HG2 LYS 18 HG2 LYS 18 -2.139 21.899 5.752 642 HG3 LYS 18 HG1 LYS 18 -2.493 20.851 4.378 643 HD2 LYS 18 HD2 LYS 18 -4.132 23.271 5.118 644 HD3 LYS 18 HD1 LYS 18 -2.818 23.294 3.941 645 HE2 LYS 18 HE2 LYS 18 -5.303 21.591 3.775 646 HE3 LYS 18 HE1 LYS 18 -5.006 23.068 2.860 647 HZ1 LYS 18 HZ1 LYS 18 -4.528 21.100 1.546 648 HZ2 LYS 18 HZ2 LYS 18 -3.395 20.580 2.690 649 HZ3 LYS 18 HZ3 LYS 18 -3.116 21.996 1.808 650 H GLN 19 HN GLN 19 -1.302 18.155 7.384 651 HA GLN 19 HA GLN 19 0.263 20.321 8.434 652 HB2 GLN 19 HB2 GLN 19 0.408 19.267 10.738 653 HB3 GLN 19 HB1 GLN 19 -1.085 20.116 10.365 654 HG2 GLN 19 HG2 GLN 19 -2.158 17.962 9.861 655 HG3 GLN 19 HG1 GLN 19 -0.665 17.135 10.301 656 HE21 GLN 19 HE21 GLN 19 -1.850 19.972 11.954 657 HE22 GLN 19 HE22 GLN 19 -2.247 19.182 13.438 658 H LEU 20 HN LEU 20 -0.168 16.788 8.582 659 HA LEU 20 HA LEU 20 2.235 16.261 7.188 660 HB2 LEU 20 HB2 LEU 20 3.520 15.197 8.982 661 HB3 LEU 20 HB1 LEU 20 3.315 16.916 9.254 662 HG LEU 20 HG LEU 20 1.327 15.150 10.557 663 HD11 LEU 20 HD11 LEU 20 4.189 15.311 11.497 664 HD12 LEU 20 HD12 LEU 20 3.376 13.869 10.889 665 HD13 LEU 20 HD13 LEU 20 2.843 14.610 12.397 666 HD21 LEU 20 HD21 LEU 20 1.632 16.762 12.368 667 HD22 LEU 20 HD22 LEU 20 1.297 17.573 10.840 668 HD23 LEU 20 HD23 LEU 20 2.942 17.529 11.470 669 H ALA 21 HN ALA 21 2.244 14.216 6.408 670 HA ALA 21 HA ALA 21 0.463 12.239 7.639 671 HB1 ALA 21 HB1 ALA 21 0.433 12.913 4.699 672 HB2 ALA 21 HB2 ALA 21 -0.821 13.335 5.866 673 HB3 ALA 21 HB3 ALA 21 -0.502 11.642 5.488 674 H THR 22 HN THR 22 3.134 12.978 5.500 675 HA THR 22 HA THR 22 4.999 11.824 4.914 676 HB THR 22 HB THR 22 4.137 9.861 7.048 677 HG1 THR 22 HG1 THR 22 4.666 11.538 8.249 678 HG21 THR 22 HG21 THR 22 6.792 10.241 5.657 679 HG22 THR 22 HG22 THR 22 5.728 8.840 5.527 680 HG23 THR 22 HG23 THR 22 6.522 9.205 7.058 681 H LYS 23 HN LYS 23 3.000 9.020 5.776 682 HA LYS 23 HA LYS 23 2.175 7.289 4.573 683 HB2 LYS 23 HB2 LYS 23 2.344 9.252 2.282 684 HB3 LYS 23 HB1 LYS 23 1.564 7.676 2.191 685 HG2 LYS 23 HG2 LYS 23 -0.265 8.375 3.272 686 HG3 LYS 23 HG1 LYS 23 0.654 9.355 4.413 687 HD2 LYS 23 HD2 LYS 23 -0.534 10.948 3.210 688 HD3 LYS 23 HD1 LYS 23 1.026 10.927 2.386 689 HE2 LYS 23 HE2 LYS 23 -1.417 9.395 1.506 690 HE3 LYS 23 HE1 LYS 23 -0.896 10.937 0.830 691 HZ1 LYS 23 HZ1 LYS 23 0.581 8.365 0.730 692 HZ2 LYS 23 HZ2 LYS 23 1.211 9.843 0.204 693 HZ3 LYS 23 HZ3 LYS 23 -0.136 9.175 -0.570 694 H ALA 24 HN ALA 24 3.465 5.628 4.460 695 HA ALA 24 HA ALA 24 5.292 5.294 2.260 696 HB1 ALA 24 HB1 ALA 24 7.275 4.888 3.610 697 HB2 ALA 24 HB2 ALA 24 6.381 5.288 5.076 698 HB3 ALA 24 HB3 ALA 24 6.688 6.531 3.863 699 H ALA 25 HN ALA 25 6.383 3.040 2.473 700 HA ALA 25 HA ALA 25 5.051 1.174 4.202 701 HB1 ALA 25 HB1 ALA 25 4.500 0.861 1.271 702 HB2 ALA 25 HB2 ALA 25 3.382 1.650 2.382 703 HB3 ALA 25 HB3 ALA 25 3.808 -0.045 2.615 704 H ARG 26 HN ARG 26 5.585 -1.130 3.564 705 HA ARG 26 HA ARG 26 8.413 -1.246 2.758 706 HB2 ARG 26 HB2 ARG 26 8.475 -3.345 4.061 707 HB3 ARG 26 HB1 ARG 26 7.970 -1.975 5.044 708 HG2 ARG 26 HG2 ARG 26 5.627 -2.662 4.770 709 HG3 ARG 26 HG1 ARG 26 6.161 -4.058 3.836 710 HD2 ARG 26 HD2 ARG 26 6.891 -3.478 6.705 711 HD3 ARG 26 HD1 ARG 26 5.671 -4.636 6.166 712 HE ARG 26 HE ARG 26 8.244 -5.134 5.017 713 HH11 ARG 26 HH11 ARG 26 6.290 -5.603 7.865 714 HH12 ARG 26 HH12 ARG 26 7.136 -7.028 8.367 715 HH21 ARG 26 HH21 ARG 26 9.360 -7.012 5.670 716 HH22 ARG 26 HH22 ARG 26 8.879 -7.830 7.119 717 H MLY 27 HN MLY 27 9.110 -2.768 1.253 718 HA MLY 27 HA MLY 27 7.007 -3.917 -0.420 719 HB2 MLY 27 HB2 MLY 27 9.015 -2.586 -1.338 720 HB3 MLY 27 HB1 MLY 27 9.964 -4.026 -0.993 721 HG2 MLY 27 HG2 MLY 27 8.244 -5.283 -2.402 722 HG3 MLY 27 HG1 MLY 27 7.719 -3.693 -2.953 723 HD2 MLY 27 HD2 MLY 27 10.523 -4.785 -3.179 724 HD3 MLY 27 HD1 MLY 27 9.339 -4.734 -4.486 725 HE2 MLY 27 HE2 MLY 27 9.250 -2.256 -4.210 726 HE3 MLY 27 HE1 MLY 27 10.570 -2.386 -3.049 727 HH11 MLY 27 HH11 MLY 27 10.195 -1.140 -5.962 728 HH12 MLY 27 HH12 MLY 27 11.460 -0.739 -4.804 729 HH13 MLY 27 HH13 MLY 27 11.888 -1.406 -6.380 730 HH21 MLY 27 HH21 MLY 27 12.371 -4.198 -4.088 731 HH22 MLY 27 HH22 MLY 27 13.134 -3.210 -5.331 732 HH23 MLY 27 HH23 MLY 27 12.753 -2.507 -3.759 733 HZ MLY 27 HZ MLY 27 10.782 -3.470 -5.763 734 H SER 28 HN SER 28 7.735 -4.951 2.237 735 HA SER 28 HA SER 28 7.909 -6.947 3.290 736 HB2 SER 28 HB2 SER 28 6.333 -7.766 1.597 737 HB3 SER 28 HB1 SER 28 7.672 -8.106 0.502 738 HG SER 28 HG SER 28 7.903 -9.238 3.004 739 H ALA 29 HN ALA 29 9.509 -8.147 0.381 740 HA ALA 29 HA ALA 29 12.027 -8.220 1.911 741 HB1 ALA 29 HB1 ALA 29 11.107 -10.185 -0.186 742 HB2 ALA 29 HB2 ALA 29 11.055 -10.449 1.557 743 HB3 ALA 29 HB3 ALA 29 12.606 -10.265 0.739 744 HA PRO 30 HA PRO 30 13.850 -5.835 -1.336 745 HB2 PRO 30 HB2 PRO 30 16.451 -6.554 -1.106 746 HB3 PRO 30 HB1 PRO 30 15.638 -5.525 0.079 747 HG2 PRO 30 HG2 PRO 30 16.221 -8.458 0.198 748 HG3 PRO 30 HG1 PRO 30 16.384 -7.232 1.469 749 HD2 PRO 30 HD2 PRO 30 14.269 -8.930 1.319 750 HD3 PRO 30 HD1 PRO 30 14.143 -7.291 1.986 Start of MODEL 19 1 H MET 1 HT1 MET 1 15.873 -16.513 9.504 2 HA MET 1 HA MET 1 14.479 -17.619 7.887 3 HB2 MET 1 HB2 MET 1 15.538 -18.707 10.137 4 HB3 MET 1 HB1 MET 1 13.845 -19.153 10.335 5 HG2 MET 1 HG2 MET 1 13.848 -20.288 8.213 6 HG3 MET 1 HG1 MET 1 15.497 -19.752 7.891 7 HE1 MET 1 HE1 MET 1 17.545 -21.719 10.573 8 HE2 MET 1 HE2 MET 1 16.859 -20.108 10.775 9 HE3 MET 1 HE3 MET 1 17.604 -20.563 9.243 10 H GLU 2 HN GLU 2 12.748 -17.487 10.996 11 HA GLU 2 HA GLU 2 10.222 -17.470 9.498 12 HB2 GLU 2 HB2 GLU 2 10.643 -18.178 12.403 13 HB3 GLU 2 HB1 GLU 2 9.178 -18.410 11.457 14 HG2 GLU 2 HG2 GLU 2 10.300 -20.055 10.076 15 HG3 GLU 2 HG1 GLU 2 11.806 -19.792 10.957 16 H LEU 3 HN LEU 3 10.135 -15.242 9.122 17 HA LEU 3 HA LEU 3 9.651 -13.060 9.543 18 HB2 LEU 3 HB2 LEU 3 7.661 -14.170 10.548 19 HB3 LEU 3 HB1 LEU 3 8.475 -14.147 12.101 20 HG LEU 3 HG LEU 3 8.550 -11.636 11.925 21 HD11 LEU 3 HD11 LEU 3 8.266 -11.465 9.505 22 HD12 LEU 3 HD12 LEU 3 7.020 -10.559 10.366 23 HD13 LEU 3 HD13 LEU 3 6.636 -12.124 9.647 24 HD21 LEU 3 HD21 LEU 3 5.837 -12.954 11.929 25 HD22 LEU 3 HD22 LEU 3 6.204 -11.351 12.565 26 HD23 LEU 3 HD23 LEU 3 6.913 -12.780 13.315 27 H SER 4 HN SER 4 12.115 -13.065 9.842 28 HA SER 4 HA SER 4 12.744 -11.327 11.987 29 HB2 SER 4 HB2 SER 4 14.404 -12.761 13.143 30 HB3 SER 4 HB1 SER 4 12.761 -13.378 13.310 31 HG SER 4 HG SER 4 13.219 -15.017 11.979 32 H ALA 5 HN ALA 5 14.989 -10.618 11.947 33 HA ALA 5 HA ALA 5 16.948 -10.023 10.957 34 HB1 ALA 5 HB1 ALA 5 16.505 -12.298 9.039 35 HB2 ALA 5 HB2 ALA 5 17.290 -12.450 10.611 36 HB3 ALA 5 HB3 ALA 5 18.020 -11.452 9.353 37 H ILE 6 HN ILE 6 14.119 -10.502 9.015 38 HA ILE 6 HA ILE 6 14.879 -9.201 6.664 39 HB ILE 6 HB ILE 6 12.131 -9.185 7.920 40 HG12 ILE 6 HG12 ILE 6 13.331 -11.158 5.961 41 HG13 ILE 6 HG11 ILE 6 13.099 -11.465 7.679 42 HG21 ILE 6 HG21 ILE 6 12.363 -7.576 6.112 43 HG22 ILE 6 HG22 ILE 6 11.342 -8.923 5.610 44 HG23 ILE 6 HG23 ILE 6 13.013 -8.830 5.057 45 HD11 ILE 6 HD11 ILE 6 10.943 -10.961 5.642 46 HD12 ILE 6 HD12 ILE 6 10.675 -11.178 7.372 47 HD13 ILE 6 HD13 ILE 6 11.336 -12.500 6.410 48 H GLY 7 HN GLY 7 12.912 -7.817 9.313 49 HA2 GLY 7 HA2 GLY 7 12.809 -5.677 10.146 50 HA3 GLY 7 HA1 GLY 7 14.401 -5.409 9.448 51 H GLU 8 HN GLU 8 11.085 -4.727 9.220 52 HA GLU 8 HA GLU 8 10.850 -4.120 6.475 53 HB2 GLU 8 HB2 GLU 8 9.340 -2.464 8.403 54 HB3 GLU 8 HB1 GLU 8 8.788 -3.286 6.954 55 HG2 GLU 8 HG2 GLU 8 8.517 -5.320 8.026 56 HG3 GLU 8 HG1 GLU 8 9.561 -4.856 9.367 57 H GLN 9 HN GLN 9 11.516 -2.463 5.302 58 HA GLN 9 HA GLN 9 11.677 0.150 5.993 59 HB2 GLN 9 HB2 GLN 9 14.126 0.509 6.332 60 HB3 GLN 9 HB1 GLN 9 13.302 -0.305 7.651 61 HG2 GLN 9 HG2 GLN 9 14.993 -1.673 7.570 62 HG3 GLN 9 HG1 GLN 9 14.095 -2.410 6.265 63 HE21 GLN 9 HE21 GLN 9 15.983 -3.219 5.321 64 HE22 GLN 9 HE22 GLN 9 17.094 -2.196 4.480 65 H VAL 10 HN VAL 10 11.327 0.814 3.946 66 HA VAL 10 HA VAL 10 13.238 -0.070 1.928 67 HB VAL 10 HB VAL 10 11.339 -0.484 0.350 68 HG11 VAL 10 HG11 VAL 10 11.595 -2.263 2.759 69 HG12 VAL 10 HG12 VAL 10 12.599 -2.309 1.308 70 HG13 VAL 10 HG13 VAL 10 10.891 -2.740 1.213 71 HG21 VAL 10 HG21 VAL 10 9.757 -0.404 2.911 72 HG22 VAL 10 HG22 VAL 10 9.166 -1.053 1.378 73 HG23 VAL 10 HG23 VAL 10 9.569 0.658 1.512 74 H PHE 11 HN PHE 11 10.592 1.190 0.364 75 HA PHE 11 HA PHE 11 11.912 3.807 0.129 76 HB2 PHE 11 HB2 PHE 11 9.975 2.560 -1.815 77 HB3 PHE 11 HB1 PHE 11 11.046 3.921 -2.094 78 HD1 PHE 11 HD2 PHE 11 13.571 3.463 -2.045 79 HD2 PHE 11 HD1 PHE 11 10.621 0.412 -2.334 80 HE1 PHE 11 HE2 PHE 11 15.265 1.916 -2.936 81 HE2 PHE 11 HE1 PHE 11 12.305 -1.144 -3.227 82 HZ PHE 11 HZ PHE 11 14.634 -0.390 -3.530 83 H ALA 12 HN ALA 12 10.017 5.213 -1.149 84 HA ALA 12 HA ALA 12 7.934 5.580 0.889 85 HB1 ALA 12 HB1 ALA 12 7.746 7.842 -0.433 86 HB2 ALA 12 HB2 ALA 12 9.383 7.430 -0.947 87 HB3 ALA 12 HB3 ALA 12 9.014 7.606 0.770 88 H VAL 13 HN VAL 13 5.853 5.250 0.368 89 HA VAL 13 HA VAL 13 5.239 4.354 -2.332 90 HB VAL 13 HB VAL 13 3.227 4.505 -0.122 91 HG11 VAL 13 HG11 VAL 13 2.959 2.132 -1.455 92 HG12 VAL 13 HG12 VAL 13 3.469 3.240 -2.731 93 HG13 VAL 13 HG13 VAL 13 2.032 3.600 -1.769 94 HG21 VAL 13 HG21 VAL 13 3.882 2.274 0.595 95 HG22 VAL 13 HG22 VAL 13 5.148 3.462 0.907 96 HG23 VAL 13 HG23 VAL 13 5.296 2.348 -0.453 97 H GLU 14 HN GLU 14 4.224 5.564 -3.819 98 HA GLU 14 HA GLU 14 3.514 8.240 -3.445 99 HB2 GLU 14 HB2 GLU 14 3.132 6.213 -5.535 100 HB3 GLU 14 HB1 GLU 14 1.807 7.365 -5.446 101 HG2 GLU 14 HG2 GLU 14 3.329 9.213 -5.735 102 HG3 GLU 14 HG1 GLU 14 4.705 8.114 -5.725 103 H SER 15 HN SER 15 1.662 5.270 -3.425 104 HA SER 15 HA SER 15 0.010 5.736 -1.297 105 HB2 SER 15 HB2 SER 15 -1.098 6.933 -3.810 106 HB3 SER 15 HB1 SER 15 -2.172 6.211 -2.618 107 HG SER 15 HG SER 15 -0.600 7.715 -1.228 108 H ILE 16 HN ILE 16 -2.296 4.505 -1.789 109 HA ILE 16 HA ILE 16 -1.419 1.921 -2.830 110 HB ILE 16 HB ILE 16 -3.713 2.722 -1.063 111 HG12 ILE 16 HG12 ILE 16 -1.572 0.623 -0.702 112 HG13 ILE 16 HG11 ILE 16 -1.416 2.268 -0.136 113 HG21 ILE 16 HG21 ILE 16 -4.524 0.495 -1.122 114 HG22 ILE 16 HG22 ILE 16 -3.247 -0.018 -2.214 115 HG23 ILE 16 HG23 ILE 16 -4.496 1.098 -2.772 116 HD11 ILE 16 HD11 ILE 16 -3.063 2.005 1.477 117 HD12 ILE 16 HD12 ILE 16 -2.161 0.496 1.527 118 HD13 ILE 16 HD13 ILE 16 -3.715 0.574 0.698 119 H ARG 17 HN ARG 17 -2.321 0.915 -4.506 120 HA ARG 17 HA ARG 17 -4.034 2.490 -6.270 121 HB2 ARG 17 HB2 ARG 17 -1.773 1.006 -6.759 122 HB3 ARG 17 HB1 ARG 17 -3.055 -0.067 -7.241 123 HG2 ARG 17 HG2 ARG 17 -3.831 1.378 -8.860 124 HG3 ARG 17 HG1 ARG 17 -2.905 2.737 -8.233 125 HD2 ARG 17 HD2 ARG 17 -0.834 1.511 -8.819 126 HD3 ARG 17 HD1 ARG 17 -1.826 0.249 -9.545 127 HE ARG 17 HE ARG 17 -1.797 3.033 -10.521 128 HH11 ARG 17 HH11 ARG 17 -1.842 -0.407 -11.071 129 HH12 ARG 17 HH12 ARG 17 -1.892 -0.262 -12.795 130 HH21 ARG 17 HH21 ARG 17 -1.861 3.234 -12.793 131 HH22 ARG 17 HH22 ARG 17 -1.903 1.808 -13.774 132 H LYS 18 HN LYS 18 -3.784 -0.765 -4.884 133 HA LYS 18 HA LYS 18 -6.691 -1.079 -5.295 134 HB2 LYS 18 HB2 LYS 18 -4.572 -3.113 -5.909 135 HB3 LYS 18 HB1 LYS 18 -6.272 -3.462 -5.872 136 HG2 LYS 18 HG2 LYS 18 -6.585 -2.655 -7.888 137 HG3 LYS 18 HG1 LYS 18 -5.599 -1.237 -7.600 138 HD2 LYS 18 HD2 LYS 18 -3.644 -2.648 -7.893 139 HD3 LYS 18 HD1 LYS 18 -4.678 -4.000 -8.277 140 HE2 LYS 18 HE2 LYS 18 -4.887 -1.449 -9.785 141 HE3 LYS 18 HE1 LYS 18 -3.648 -2.625 -10.211 142 HZ1 LYS 18 HZ1 LYS 18 -5.618 -2.946 -11.545 143 HZ2 LYS 18 HZ2 LYS 18 -6.582 -3.095 -10.164 144 HZ3 LYS 18 HZ3 LYS 18 -5.417 -4.272 -10.511 145 H LYS 19 HN LYS 19 -7.394 -3.228 -4.200 146 HA LYS 19 HA LYS 19 -5.966 -3.864 -1.765 147 HB2 LYS 19 HB2 LYS 19 -7.257 -2.061 -0.892 148 HB3 LYS 19 HB1 LYS 19 -8.701 -2.598 -1.731 149 HG2 LYS 19 HG2 LYS 19 -8.705 -4.633 -0.325 150 HG3 LYS 19 HG1 LYS 19 -7.327 -3.986 0.560 151 HD2 LYS 19 HD2 LYS 19 -8.615 -2.173 1.389 152 HD3 LYS 19 HD1 LYS 19 -9.958 -2.545 0.306 153 HE2 LYS 19 HE2 LYS 19 -10.285 -4.674 1.469 154 HE3 LYS 19 HE1 LYS 19 -8.966 -4.293 2.558 155 HZ1 LYS 19 HZ1 LYS 19 -11.496 -2.760 2.298 156 HZ2 LYS 19 HZ2 LYS 19 -10.218 -2.367 3.334 157 HZ3 LYS 19 HZ3 LYS 19 -11.090 -3.797 3.573 158 H ARG 20 HN ARG 20 -5.903 -6.022 -1.883 159 HA ARG 20 HA ARG 20 -8.373 -7.406 -2.687 160 HB2 ARG 20 HB2 ARG 20 -7.232 -8.809 -4.040 161 HB3 ARG 20 HB1 ARG 20 -6.012 -7.548 -4.021 162 HG2 ARG 20 HG2 ARG 20 -4.648 -8.714 -2.547 163 HG3 ARG 20 HG1 ARG 20 -5.959 -9.758 -2.000 164 HD2 ARG 20 HD2 ARG 20 -6.031 -10.685 -4.344 165 HD3 ARG 20 HD1 ARG 20 -4.531 -9.810 -4.645 166 HE ARG 20 HE ARG 20 -4.138 -11.317 -2.353 167 HH11 ARG 20 HH11 ARG 20 -4.816 -11.875 -5.724 168 HH12 ARG 20 HH12 ARG 20 -4.026 -13.416 -5.760 169 HH21 ARG 20 HH21 ARG 20 -3.098 -13.342 -2.389 170 HH22 ARG 20 HH22 ARG 20 -3.050 -14.251 -3.864 171 H VAL 21 HN VAL 21 -9.255 -8.777 -1.273 172 HA VAL 21 HA VAL 21 -7.713 -9.380 1.160 173 HB VAL 21 HB VAL 21 -10.697 -9.033 0.837 174 HG11 VAL 21 HG11 VAL 21 -9.182 -9.666 3.365 175 HG12 VAL 21 HG12 VAL 21 -10.070 -10.867 2.422 176 HG13 VAL 21 HG13 VAL 21 -10.931 -9.521 3.167 177 HG21 VAL 21 HG21 VAL 21 -8.879 -7.520 2.671 178 HG22 VAL 21 HG22 VAL 21 -10.478 -7.068 2.071 179 HG23 VAL 21 HG23 VAL 21 -9.084 -7.027 0.988 180 H ARG 22 HN ARG 22 -7.916 -11.443 2.106 181 HA ARG 22 HA ARG 22 -9.169 -13.534 0.474 182 HB2 ARG 22 HB2 ARG 22 -6.739 -13.457 -0.020 183 HB3 ARG 22 HB1 ARG 22 -6.400 -13.693 1.686 184 HG2 ARG 22 HG2 ARG 22 -7.730 -15.841 1.500 185 HG3 ARG 22 HG1 ARG 22 -7.631 -15.609 -0.247 186 HD2 ARG 22 HD2 ARG 22 -5.136 -15.410 0.048 187 HD3 ARG 22 HD1 ARG 22 -5.373 -15.961 1.703 188 HE ARG 22 HE ARG 22 -6.527 -17.692 -0.289 189 HH11 ARG 22 HH11 ARG 22 -3.673 -16.924 1.558 190 HH12 ARG 22 HH12 ARG 22 -2.997 -18.513 1.414 191 HH21 ARG 22 HH21 ARG 22 -5.648 -19.785 -0.480 192 HH22 ARG 22 HH22 ARG 22 -4.120 -20.139 0.255 193 H LYS 23 HN LYS 23 -10.807 -14.006 1.880 194 HA LYS 23 HA LYS 23 -11.858 -14.823 3.727 195 HB2 LYS 23 HB2 LYS 23 -9.080 -15.822 4.291 196 HB3 LYS 23 HB1 LYS 23 -10.457 -16.207 5.312 197 HG2 LYS 23 HG2 LYS 23 -11.463 -17.512 3.682 198 HG3 LYS 23 HG1 LYS 23 -10.541 -16.761 2.382 199 HD2 LYS 23 HD2 LYS 23 -9.707 -18.992 2.764 200 HD3 LYS 23 HD1 LYS 23 -8.496 -17.813 3.269 201 HE2 LYS 23 HE2 LYS 23 -8.591 -19.509 4.941 202 HE3 LYS 23 HE1 LYS 23 -9.344 -18.055 5.595 203 HZ1 LYS 23 HZ1 LYS 23 -10.793 -20.389 4.470 204 HZ2 LYS 23 HZ2 LYS 23 -11.512 -18.994 5.101 205 HZ3 LYS 23 HZ3 LYS 23 -10.635 -20.024 6.115 206 H GLY 24 HN GLY 24 -9.834 -12.339 3.721 207 HA2 GLY 24 HA2 GLY 24 -10.638 -10.618 5.416 208 HA3 GLY 24 HA1 GLY 24 -10.035 -11.771 6.594 209 H LYS 25 HN LYS 25 -7.856 -12.448 4.581 210 HA LYS 25 HA LYS 25 -5.886 -10.695 5.613 211 HB2 LYS 25 HB2 LYS 25 -5.646 -12.547 3.244 212 HB3 LYS 25 HB1 LYS 25 -4.331 -11.907 4.212 213 HG2 LYS 25 HG2 LYS 25 -4.899 -13.245 6.059 214 HG3 LYS 25 HG1 LYS 25 -6.476 -13.643 5.380 215 HD2 LYS 25 HD2 LYS 25 -5.207 -15.562 4.999 216 HD3 LYS 25 HD1 LYS 25 -5.163 -14.701 3.457 217 HE2 LYS 25 HE2 LYS 25 -2.950 -15.474 3.935 218 HE3 LYS 25 HE1 LYS 25 -2.980 -13.723 4.144 219 HZ1 LYS 25 HZ1 LYS 25 -3.139 -15.726 6.331 220 HZ2 LYS 25 HZ2 LYS 25 -3.168 -14.047 6.532 221 HZ3 LYS 25 HZ3 LYS 25 -1.778 -14.802 5.935 222 H VAL 26 HN VAL 26 -5.969 -8.605 5.067 223 HA VAL 26 HA VAL 26 -6.793 -7.774 2.429 224 HB VAL 26 HB VAL 26 -5.782 -6.097 4.717 225 HG11 VAL 26 HG11 VAL 26 -7.360 -5.314 2.272 226 HG12 VAL 26 HG12 VAL 26 -5.636 -5.018 2.503 227 HG13 VAL 26 HG13 VAL 26 -6.814 -4.236 3.557 228 HG21 VAL 26 HG21 VAL 26 -8.632 -6.227 3.956 229 HG22 VAL 26 HG22 VAL 26 -7.903 -5.912 5.530 230 HG23 VAL 26 HG23 VAL 26 -7.970 -7.560 4.900 231 H GLU 27 HN GLU 27 -5.604 -6.755 0.914 232 HA GLU 27 HA GLU 27 -2.724 -6.418 1.303 233 HB2 GLU 27 HB2 GLU 27 -4.007 -7.616 -1.154 234 HB3 GLU 27 HB1 GLU 27 -2.292 -7.338 -0.902 235 HG2 GLU 27 HG2 GLU 27 -2.767 -8.868 1.215 236 HG3 GLU 27 HG1 GLU 27 -4.049 -9.452 0.164 237 H TYR 28 HN TYR 28 -1.816 -4.894 -0.334 238 HA TYR 28 HA TYR 28 -3.832 -3.159 -1.542 239 HB2 TYR 28 HB2 TYR 28 -1.766 -2.287 0.465 240 HB3 TYR 28 HB1 TYR 28 -2.531 -1.167 -0.638 241 HD1 TYR 28 HD1 TYR 28 -5.182 -1.327 -0.656 242 HD2 TYR 28 HD2 TYR 28 -2.710 -2.519 2.588 243 HE1 TYR 28 HE1 TYR 28 -7.071 -1.047 0.883 244 HE2 TYR 28 HE2 TYR 28 -4.592 -2.230 4.128 245 HH TYR 28 HH TYR 28 -7.793 -1.853 3.088 246 H LEU 29 HN LEU 29 -3.303 -2.933 -3.625 247 HA LEU 29 HA LEU 29 -0.697 -3.467 -4.625 248 HB2 LEU 29 HB2 LEU 29 -2.991 -3.583 -5.876 249 HB3 LEU 29 HB1 LEU 29 -2.786 -1.864 -6.073 250 HG LEU 29 HG LEU 29 -2.070 -3.498 -7.962 251 HD11 LEU 29 HD11 LEU 29 -1.855 -1.092 -7.981 252 HD12 LEU 29 HD12 LEU 29 -0.466 -1.869 -8.731 253 HD13 LEU 29 HD13 LEU 29 -0.338 -1.204 -7.101 254 HD21 LEU 29 HD21 LEU 29 0.466 -3.366 -6.378 255 HD22 LEU 29 HD22 LEU 29 0.209 -4.193 -7.913 256 HD23 LEU 29 HD23 LEU 29 -0.555 -4.798 -6.440 257 H VAL 30 HN VAL 30 0.641 -2.087 -3.410 258 HA VAL 30 HA VAL 30 0.252 0.725 -3.272 259 HB VAL 30 HB VAL 30 2.766 0.642 -2.616 260 HG11 VAL 30 HG11 VAL 30 2.193 0.094 -0.361 261 HG12 VAL 30 HG12 VAL 30 0.779 -0.821 -0.888 262 HG13 VAL 30 HG13 VAL 30 0.819 0.931 -1.086 263 HG21 VAL 30 HG21 VAL 30 3.511 -1.536 -1.806 264 HG22 VAL 30 HG22 VAL 30 3.230 -1.556 -3.547 265 HG23 VAL 30 HG23 VAL 30 2.048 -2.278 -2.455 266 H LYS 31 HN LYS 31 0.987 2.356 -4.502 267 HA LYS 31 HA LYS 31 2.562 1.654 -6.866 268 HB2 LYS 31 HB2 LYS 31 1.817 3.809 -7.810 269 HB3 LYS 31 HB1 LYS 31 0.466 2.760 -7.416 270 HG2 LYS 31 HG2 LYS 31 -0.093 4.054 -5.509 271 HG3 LYS 31 HG1 LYS 31 1.406 4.979 -5.620 272 HD2 LYS 31 HD2 LYS 31 0.684 5.954 -7.719 273 HD3 LYS 31 HD1 LYS 31 -0.780 4.970 -7.700 274 HE2 LYS 31 HE2 LYS 31 -1.549 6.103 -5.701 275 HE3 LYS 31 HE1 LYS 31 -0.053 7.034 -5.625 276 HZ1 LYS 31 HZ1 LYS 31 -2.015 7.159 -7.852 277 HZ2 LYS 31 HZ2 LYS 31 -0.624 8.108 -7.685 278 HZ3 LYS 31 HZ3 LYS 31 -1.905 8.287 -6.596 279 H TRP 32 HN TRP 32 4.605 1.908 -6.598 280 HA TRP 32 HA TRP 32 5.772 3.426 -4.494 281 HB2 TRP 32 HB2 TRP 32 6.971 1.980 -6.865 282 HB3 TRP 32 HB1 TRP 32 7.902 2.643 -5.525 283 HD1 TRP 32 HD1 TRP 32 6.118 -0.438 -6.564 284 HE1 TRP 32 HE1 TRP 32 5.939 -2.076 -4.583 285 HE3 TRP 32 HE3 TRP 32 7.534 2.701 -2.812 286 HZ2 TRP 32 HZ2 TRP 32 6.350 -2.027 -1.784 287 HZ3 TRP 32 HZ3 TRP 32 7.628 1.847 -0.514 288 HH2 TRP 32 HH2 TRP 32 7.032 -0.470 -0.012 289 H LYS 33 HN LYS 33 6.592 5.409 -4.480 290 HA LYS 33 HA LYS 33 6.033 7.256 -6.518 291 HB2 LYS 33 HB2 LYS 33 6.291 7.846 -4.132 292 HB3 LYS 33 HB1 LYS 33 8.013 7.519 -4.253 293 HG2 LYS 33 HG2 LYS 33 8.450 9.467 -5.288 294 HG3 LYS 33 HG1 LYS 33 6.947 9.437 -6.210 295 HD2 LYS 33 HD2 LYS 33 6.915 11.285 -4.650 296 HD3 LYS 33 HD1 LYS 33 5.718 10.079 -4.177 297 HE2 LYS 33 HE2 LYS 33 7.383 9.165 -2.567 298 HE3 LYS 33 HE1 LYS 33 8.440 10.517 -2.963 299 HZ1 LYS 33 HZ1 LYS 33 7.171 10.956 -0.961 300 HZ2 LYS 33 HZ2 LYS 33 5.716 10.732 -1.796 301 HZ3 LYS 33 HZ3 LYS 33 6.722 12.035 -2.186 302 H GLY 34 HN GLY 34 9.199 5.989 -5.449 303 HA2 GLY 34 HA2 GLY 34 10.542 7.175 -7.699 304 HA3 GLY 34 HA1 GLY 34 11.256 6.110 -6.501 305 H TRP 35 HN TRP 35 8.396 4.975 -8.074 306 HA TRP 35 HA TRP 35 9.941 3.534 -10.093 307 HB2 TRP 35 HB2 TRP 35 8.413 2.224 -7.860 308 HB3 TRP 35 HB1 TRP 35 8.728 1.390 -9.373 309 HD1 TRP 35 HD1 TRP 35 10.532 2.740 -6.268 310 HE1 TRP 35 HE1 TRP 35 12.850 1.629 -6.127 311 HE3 TRP 35 HE3 TRP 35 10.531 0.291 -10.757 312 HZ2 TRP 35 HZ2 TRP 35 14.464 -0.063 -7.713 313 HZ3 TRP 35 HZ3 TRP 35 12.499 -1.051 -11.369 314 HH2 TRP 35 HH2 TRP 35 14.424 -1.224 -9.878 315 HA PRO 36 HA PRO 36 6.328 4.069 -12.558 316 HB2 PRO 36 HB2 PRO 36 6.797 1.488 -13.846 317 HB3 PRO 36 HB1 PRO 36 6.929 3.107 -14.526 318 HG2 PRO 36 HG2 PRO 36 9.077 1.543 -14.048 319 HG3 PRO 36 HG1 PRO 36 9.130 3.304 -13.950 320 HD2 PRO 36 HD2 PRO 36 8.960 1.288 -11.760 321 HD3 PRO 36 HD1 PRO 36 9.882 2.797 -11.833 322 HA PRO 37 HA PRO 37 2.966 1.759 -10.794 323 HB2 PRO 37 HB2 PRO 37 1.710 1.746 -13.481 324 HB3 PRO 37 HB1 PRO 37 1.089 2.382 -11.955 325 HG2 PRO 37 HG2 PRO 37 1.935 4.025 -13.880 326 HG3 PRO 37 HG1 PRO 37 2.235 4.385 -12.170 327 HD2 PRO 37 HD2 PRO 37 4.105 3.290 -14.234 328 HD3 PRO 37 HD1 PRO 37 4.415 4.478 -12.951 329 H LYS 38 HN LYS 38 4.707 0.718 -13.551 330 HA LYS 38 HA LYS 38 3.502 -1.836 -13.902 331 HB2 LYS 38 HB2 LYS 38 6.184 -0.732 -14.747 332 HB3 LYS 38 HB1 LYS 38 5.567 -2.304 -15.241 333 HG2 LYS 38 HG2 LYS 38 3.929 -1.389 -16.589 334 HG3 LYS 38 HG1 LYS 38 3.948 0.154 -15.735 335 HD2 LYS 38 HD2 LYS 38 6.235 -0.866 -17.402 336 HD3 LYS 38 HD1 LYS 38 4.973 0.201 -18.020 337 HE2 LYS 38 HE2 LYS 38 5.572 1.831 -16.231 338 HE3 LYS 38 HE1 LYS 38 6.919 0.786 -15.789 339 HZ1 LYS 38 HZ1 LYS 38 7.762 1.048 -18.076 340 HZ2 LYS 38 HZ2 LYS 38 7.698 2.511 -17.231 341 HZ3 LYS 38 HZ3 LYS 38 6.522 2.155 -18.394 342 H TYR 39 HN TYR 39 5.816 -0.560 -11.712 343 HA TYR 39 HA TYR 39 6.699 -3.243 -10.939 344 HB2 TYR 39 HB2 TYR 39 7.801 -0.497 -10.419 345 HB3 TYR 39 HB1 TYR 39 8.329 -1.889 -9.493 346 HD1 TYR 39 HD2 TYR 39 9.660 -3.654 -10.532 347 HD2 TYR 39 HD1 TYR 39 8.393 -0.248 -12.731 348 HE1 TYR 39 HE2 TYR 39 11.283 -4.202 -12.297 349 HE2 TYR 39 HE1 TYR 39 10.004 -0.779 -14.498 350 HH TYR 39 HH TYR 39 11.641 -3.770 -14.665 351 H SER 40 HN SER 40 4.111 -1.616 -10.234 352 HA SER 40 HA SER 40 4.010 -1.095 -7.516 353 HB2 SER 40 HB2 SER 40 1.834 -2.481 -9.103 354 HB3 SER 40 HB1 SER 40 1.618 -1.548 -7.626 355 HG SER 40 HG SER 40 1.362 -0.594 -9.963 356 H THR 41 HN THR 41 3.081 -2.453 -5.764 357 HA THR 41 HA THR 41 3.483 -5.316 -6.171 358 HB THR 41 HB THR 41 4.860 -5.581 -4.197 359 HG1 THR 41 HG1 THR 41 4.571 -2.758 -3.966 360 HG21 THR 41 HG21 THR 41 5.904 -4.952 -6.438 361 HG22 THR 41 HG22 THR 41 6.901 -4.705 -5.005 362 HG23 THR 41 HG23 THR 41 6.100 -3.332 -5.768 363 H TRP 42 HN TRP 42 2.702 -6.618 -4.309 364 HA TRP 42 HA TRP 42 0.310 -5.358 -3.164 365 HB2 TRP 42 HB2 TRP 42 0.994 -8.220 -3.806 366 HB3 TRP 42 HB1 TRP 42 -0.356 -7.803 -2.753 367 HD1 TRP 42 HD1 TRP 42 0.587 -8.111 -6.360 368 HE1 TRP 42 HE1 TRP 42 -1.405 -7.436 -7.842 369 HE3 TRP 42 HE3 TRP 42 -2.414 -6.014 -2.780 370 HZ2 TRP 42 HZ2 TRP 42 -3.916 -6.179 -7.533 371 HZ3 TRP 42 HZ3 TRP 42 -4.597 -5.104 -3.468 372 HH2 TRP 42 HH2 TRP 42 -5.319 -5.184 -5.804 373 H GLU 43 HN GLU 43 0.721 -4.584 -1.199 374 HA GLU 43 HA GLU 43 2.271 -6.262 0.657 375 HB2 GLU 43 HB2 GLU 43 1.818 -3.283 0.850 376 HB3 GLU 43 HB1 GLU 43 2.901 -4.256 1.836 377 HG2 GLU 43 HG2 GLU 43 3.176 -3.598 -1.083 378 HG3 GLU 43 HG1 GLU 43 4.209 -3.069 0.243 379 HA PRO 44 HA PRO 44 -1.633 -7.035 2.720 380 HB2 PRO 44 HB2 PRO 44 0.226 -7.395 5.021 381 HB3 PRO 44 HB1 PRO 44 -1.087 -8.437 4.461 382 HG2 PRO 44 HG2 PRO 44 1.439 -9.077 3.967 383 HG3 PRO 44 HG1 PRO 44 0.182 -9.341 2.745 384 HD2 PRO 44 HD2 PRO 44 2.289 -7.235 2.874 385 HD3 PRO 44 HD1 PRO 44 1.588 -8.047 1.461 386 H GLU 45 HN GLU 45 -2.927 -6.055 4.240 387 HA GLU 45 HA GLU 45 -2.568 -3.302 4.631 388 HB2 GLU 45 HB2 GLU 45 -4.756 -4.277 4.496 389 HB3 GLU 45 HB1 GLU 45 -4.463 -5.283 5.902 390 HG2 GLU 45 HG2 GLU 45 -4.358 -2.308 6.111 391 HG3 GLU 45 HG1 GLU 45 -5.901 -3.145 6.108 392 H GLU 46 HN GLU 46 -1.694 -6.051 6.581 393 HA GLU 46 HA GLU 46 -1.226 -4.467 8.960 394 HB2 GLU 46 HB2 GLU 46 -0.552 -7.352 8.350 395 HB3 GLU 46 HB1 GLU 46 -0.406 -6.583 9.925 396 HG2 GLU 46 HG2 GLU 46 -2.805 -6.223 9.999 397 HG3 GLU 46 HG1 GLU 46 -2.974 -6.932 8.393 398 H HIS 47 HN HIS 47 0.380 -4.857 6.118 399 HA HIS 47 HA HIS 47 3.044 -4.624 7.346 400 HB2 HIS 47 HB2 HIS 47 2.124 -5.531 4.629 401 HB3 HIS 47 HB1 HIS 47 3.790 -5.034 4.905 402 HD1 HIS 47 HD1 HIS 47 1.296 -7.648 6.000 403 HD2 HIS 47 HD2 HIS 47 5.383 -6.917 6.154 404 HE1 HIS 47 HE1 HIS 47 2.327 -9.771 6.863 405 HE2 HIS 47 HE2 HIS 47 4.798 -9.297 6.973 406 H ILE 48 HN ILE 48 0.681 -2.935 5.423 407 HA ILE 48 HA ILE 48 2.286 -0.916 4.303 408 HB ILE 48 HB ILE 48 -0.480 -0.474 5.473 409 HG12 ILE 48 HG12 ILE 48 -0.383 -2.484 3.963 410 HG13 ILE 48 HG11 ILE 48 -1.457 -1.206 3.419 411 HG21 ILE 48 HG21 ILE 48 -0.654 1.186 3.625 412 HG22 ILE 48 HG22 ILE 48 1.053 0.900 3.277 413 HG23 ILE 48 HG23 ILE 48 0.572 1.574 4.835 414 HD11 ILE 48 HD11 ILE 48 -0.145 -0.676 1.629 415 HD12 ILE 48 HD12 ILE 48 0.140 -2.413 1.753 416 HD13 ILE 48 HD13 ILE 48 1.330 -1.277 2.388 417 H LEU 49 HN LEU 49 3.804 -0.048 5.467 418 HA LEU 49 HA LEU 49 3.851 0.312 8.227 419 HB2 LEU 49 HB2 LEU 49 5.428 1.814 6.163 420 HB3 LEU 49 HB1 LEU 49 5.864 1.583 7.838 421 HG LEU 49 HG LEU 49 5.561 -0.692 5.891 422 HD11 LEU 49 HD11 LEU 49 7.241 0.641 4.973 423 HD12 LEU 49 HD12 LEU 49 8.082 -0.615 5.883 424 HD13 LEU 49 HD13 LEU 49 7.942 1.014 6.546 425 HD21 LEU 49 HD21 LEU 49 5.411 -1.408 8.106 426 HD22 LEU 49 HD22 LEU 49 6.743 -0.384 8.634 427 HD23 LEU 49 HD23 LEU 49 7.052 -1.775 7.590 428 H ASP 50 HN ASP 50 1.824 1.921 6.225 429 HA ASP 50 HA ASP 50 1.565 4.099 8.136 430 HB2 ASP 50 HB2 ASP 50 2.000 4.519 5.178 431 HB3 ASP 50 HB1 ASP 50 1.300 5.747 6.230 432 HA PRO 51 HA PRO 51 -2.655 2.637 7.350 433 HB2 PRO 51 HB2 PRO 51 -3.268 4.611 9.442 434 HB3 PRO 51 HB1 PRO 51 -3.622 2.886 9.402 435 HG2 PRO 51 HG2 PRO 51 -1.757 3.879 11.040 436 HG3 PRO 51 HG1 PRO 51 -1.535 2.314 10.237 437 HD2 PRO 51 HD2 PRO 51 -0.375 4.979 9.531 438 HD3 PRO 51 HD1 PRO 51 0.393 3.380 9.556 439 H ARG 52 HN ARG 52 -1.327 5.854 7.361 440 HA ARG 52 HA ARG 52 -3.578 7.288 6.483 441 HB2 ARG 52 HB2 ARG 52 -0.615 7.695 6.178 442 HB3 ARG 52 HB1 ARG 52 -1.741 8.757 5.345 443 HG2 ARG 52 HG2 ARG 52 -1.122 9.811 7.378 444 HG3 ARG 52 HG1 ARG 52 -2.785 9.256 7.554 445 HD2 ARG 52 HD2 ARG 52 -1.546 8.776 9.571 446 HD3 ARG 52 HD1 ARG 52 -1.971 7.272 8.756 447 HE ARG 52 HE ARG 52 0.495 7.743 7.815 448 HH11 ARG 52 HH11 ARG 52 -0.809 7.758 11.043 449 HH12 ARG 52 HH12 ARG 52 0.673 7.260 11.785 450 HH21 ARG 52 HH21 ARG 52 2.455 7.089 8.782 451 HH22 ARG 52 HH22 ARG 52 2.531 6.882 10.501 452 H LEU 53 HN LEU 53 -1.209 5.307 4.860 453 HA LEU 53 HA LEU 53 -1.896 5.862 2.184 454 HB2 LEU 53 HB2 LEU 53 -0.670 3.482 3.566 455 HB3 LEU 53 HB1 LEU 53 -0.979 3.470 1.849 456 HG LEU 53 HG LEU 53 0.712 5.599 3.123 457 HD11 LEU 53 HD11 LEU 53 1.572 2.918 2.048 458 HD12 LEU 53 HD12 LEU 53 1.697 3.465 3.720 459 HD13 LEU 53 HD13 LEU 53 2.660 4.244 2.464 460 HD21 LEU 53 HD21 LEU 53 0.547 4.472 0.334 461 HD22 LEU 53 HD22 LEU 53 1.615 5.774 0.863 462 HD23 LEU 53 HD23 LEU 53 -0.134 6.011 0.863 463 H VAL 54 HN VAL 54 -3.072 3.617 4.582 464 HA VAL 54 HA VAL 54 -4.864 2.194 2.897 465 HB VAL 54 HB VAL 54 -4.562 2.404 5.887 466 HG11 VAL 54 HG11 VAL 54 -6.790 1.373 4.355 467 HG12 VAL 54 HG12 VAL 54 -6.663 1.681 6.083 468 HG13 VAL 54 HG13 VAL 54 -6.080 0.158 5.410 469 HG21 VAL 54 HG21 VAL 54 -3.769 0.480 3.758 470 HG22 VAL 54 HG22 VAL 54 -4.012 -0.095 5.409 471 HG23 VAL 54 HG23 VAL 54 -2.806 1.149 5.076 472 H MET 55 HN MET 55 -5.412 4.591 5.462 473 HA MET 55 HA MET 55 -8.149 4.847 5.222 474 HB2 MET 55 HB2 MET 55 -6.741 5.863 7.004 475 HB3 MET 55 HB1 MET 55 -6.210 7.065 5.851 476 HG2 MET 55 HG2 MET 55 -7.985 7.845 7.372 477 HG3 MET 55 HG1 MET 55 -8.390 7.953 5.674 478 HE1 MET 55 HE1 MET 55 -8.171 4.640 7.363 479 HE2 MET 55 HE2 MET 55 -9.811 4.215 7.859 480 HE3 MET 55 HE3 MET 55 -8.882 5.389 8.794 481 H ALA 56 HN ALA 56 -5.739 7.076 3.862 482 HA ALA 56 HA ALA 56 -7.375 8.596 2.268 483 HB1 ALA 56 HB1 ALA 56 -4.567 7.705 1.671 484 HB2 ALA 56 HB2 ALA 56 -5.034 9.122 2.605 485 HB3 ALA 56 HB3 ALA 56 -5.394 9.041 0.879 486 H TYR 57 HN TYR 57 -5.930 5.444 1.538 487 HA TYR 57 HA TYR 57 -6.579 5.191 -1.137 488 HB2 TYR 57 HB2 TYR 57 -5.290 3.464 -0.135 489 HB3 TYR 57 HB1 TYR 57 -6.527 3.138 1.070 490 HD1 TYR 57 HD1 TYR 57 -5.972 3.051 -2.605 491 HD2 TYR 57 HD2 TYR 57 -8.039 1.404 0.722 492 HE1 TYR 57 HE1 TYR 57 -6.924 1.319 -4.064 493 HE2 TYR 57 HE2 TYR 57 -9.000 -0.335 -0.726 494 HH TYR 57 HH TYR 57 -9.493 -0.682 -3.110 495 H GLU 58 HN GLU 58 -8.525 4.118 1.631 496 HA GLU 58 HA GLU 58 -10.830 3.526 0.112 497 HB2 GLU 58 HB2 GLU 58 -10.894 4.238 2.992 498 HB3 GLU 58 HB1 GLU 58 -11.906 3.098 2.138 499 HG2 GLU 58 HG2 GLU 58 -9.996 1.605 1.886 500 HG3 GLU 58 HG1 GLU 58 -8.981 2.754 2.753 501 H GLU 59 HN GLU 59 -9.453 6.455 0.969 502 HA GLU 59 HA GLU 59 -11.905 7.952 1.243 503 HB2 GLU 59 HB2 GLU 59 -10.509 9.338 2.300 504 HB3 GLU 59 HB1 GLU 59 -9.127 8.374 1.790 505 HG2 GLU 59 HG2 GLU 59 -8.939 9.645 -0.239 506 HG3 GLU 59 HG1 GLU 59 -10.395 10.559 0.158 507 H LYS 60 HN LYS 60 -9.355 7.598 -1.224 508 HA LYS 60 HA LYS 60 -10.575 9.380 -3.072 509 HB2 LYS 60 HB2 LYS 60 -8.719 7.113 -3.773 510 HB3 LYS 60 HB1 LYS 60 -8.925 8.642 -4.613 511 HG2 LYS 60 HG2 LYS 60 -7.336 9.578 -3.399 512 HG3 LYS 60 HG1 LYS 60 -8.156 9.120 -1.904 513 HD2 LYS 60 HD2 LYS 60 -7.017 7.104 -1.757 514 HD3 LYS 60 HD1 LYS 60 -6.569 7.120 -3.457 515 HE2 LYS 60 HE2 LYS 60 -4.976 8.858 -3.100 516 HE3 LYS 60 HE1 LYS 60 -5.551 9.120 -1.454 517 HZ1 LYS 60 HZ1 LYS 60 -4.189 6.674 -2.449 518 HZ2 LYS 60 HZ2 LYS 60 -4.751 6.909 -0.871 519 HZ3 LYS 60 HZ3 LYS 60 -3.493 7.867 -1.472 520 H GLU 61 HN GLU 61 -10.658 5.894 -2.575 521 HA GLU 61 HA GLU 61 -12.155 5.261 -4.872 522 HB2 GLU 61 HB2 GLU 61 -11.898 3.809 -2.241 523 HB3 GLU 61 HB1 GLU 61 -12.643 3.135 -3.683 524 HG2 GLU 61 HG2 GLU 61 -9.783 4.039 -3.466 525 HG3 GLU 61 HG1 GLU 61 -10.344 2.374 -3.366 526 H GLU 62 HN GLU 62 -13.178 5.652 -1.480 527 HA GLU 62 HA GLU 62 -15.880 5.193 -1.839 528 HB2 GLU 62 HB2 GLU 62 -16.277 6.435 0.193 529 HB3 GLU 62 HB1 GLU 62 -14.802 5.496 0.362 530 HG2 GLU 62 HG2 GLU 62 -13.454 7.445 0.027 531 HG3 GLU 62 HG1 GLU 62 -14.878 8.412 -0.336 532 H ARG 63 HN ARG 63 -14.081 8.194 -2.282 533 HA ARG 63 HA ARG 63 -16.287 9.845 -2.861 534 HB2 ARG 63 HB2 ARG 63 -13.349 9.992 -3.276 535 HB3 ARG 63 HB1 ARG 63 -14.368 11.122 -4.152 536 HG2 ARG 63 HG2 ARG 63 -14.339 10.753 -1.163 537 HG3 ARG 63 HG1 ARG 63 -13.537 12.048 -2.046 538 HD2 ARG 63 HD2 ARG 63 -15.693 12.825 -2.886 539 HD3 ARG 63 HD1 ARG 63 -16.503 11.521 -2.019 540 HE ARG 63 HE ARG 63 -14.971 13.037 -0.210 541 HH11 ARG 63 HH11 ARG 63 -17.853 13.269 -2.159 542 HH12 ARG 63 HH12 ARG 63 -18.633 14.396 -1.099 543 HH21 ARG 63 HH21 ARG 63 -15.992 14.518 1.190 544 HH22 ARG 63 HH22 ARG 63 -17.575 15.105 0.805 545 H ASP 64 HN ASP 64 -13.964 8.277 -5.049 546 HA ASP 64 HA ASP 64 -15.366 9.076 -7.409 547 HB2 ASP 64 HB2 ASP 64 -12.894 8.644 -7.262 548 HB3 ASP 64 HB1 ASP 64 -13.266 6.935 -7.163 549 H ARG 65 HN ARG 65 -14.672 5.853 -6.098 550 HA ARG 65 HA ARG 65 -16.182 4.280 -7.693 551 HB2 ARG 65 HB2 ARG 65 -15.882 4.025 -4.705 552 HB3 ARG 65 HB1 ARG 65 -16.526 2.762 -5.743 553 HG2 ARG 65 HG2 ARG 65 -14.317 2.939 -7.022 554 HG3 ARG 65 HG1 ARG 65 -13.734 3.841 -5.620 555 HD2 ARG 65 HD2 ARG 65 -13.172 1.477 -5.442 556 HD3 ARG 65 HD1 ARG 65 -14.285 1.979 -4.172 557 HE ARG 65 HE ARG 65 -15.939 1.018 -6.072 558 HH11 ARG 65 HH11 ARG 65 -13.094 -0.276 -4.532 559 HH12 ARG 65 HH12 ARG 65 -13.615 -1.923 -4.663 560 HH21 ARG 65 HH21 ARG 65 -16.635 -1.147 -6.247 561 HH22 ARG 65 HH22 ARG 65 -15.626 -2.419 -5.639 562 H ALA 66 HN ALA 66 -17.442 6.099 -4.891 563 HA ALA 66 HA ALA 66 -20.066 5.122 -5.004 564 HB1 ALA 66 HB1 ALA 66 -19.220 6.384 -3.099 565 HB2 ALA 66 HB2 ALA 66 -20.699 7.108 -3.729 566 HB3 ALA 66 HB3 ALA 66 -19.135 7.840 -4.090 567 H SER 67 HN SER 67 -18.571 7.886 -6.619 568 HA SER 67 HA SER 67 -19.083 8.945 -8.574 569 HB2 SER 67 HB2 SER 67 -19.824 6.741 -9.458 570 HB3 SER 67 HB1 SER 67 -21.426 7.040 -8.781 571 HG SER 67 HG SER 67 -20.163 8.225 -10.974 572 H GLY 68 HN GLY 68 -20.572 9.007 -5.807 573 HA2 GLY 68 HA2 GLY 68 -23.038 10.240 -6.098 574 HA3 GLY 68 HA1 GLY 68 -21.939 10.479 -4.749 575 H TYR 69 HN TYR 69 -23.296 12.604 -5.132 576 HA TYR 69 HA TYR 69 -22.720 14.393 -7.157 577 HB2 TYR 69 HB2 TYR 69 -23.400 14.822 -4.255 578 HB3 TYR 69 HB1 TYR 69 -23.147 16.171 -5.351 579 HD1 TYR 69 HD2 TYR 69 -24.850 12.925 -6.060 580 HD2 TYR 69 HD1 TYR 69 -25.245 17.116 -5.506 581 HE1 TYR 69 HE2 TYR 69 -27.199 12.792 -6.783 582 HE2 TYR 69 HE1 TYR 69 -27.590 17.004 -6.227 583 HH TYR 69 HH TYR 69 -29.042 15.549 -7.551 584 H ARG 70 HN ARG 70 -21.254 16.112 -7.373 585 HA ARG 70 HA ARG 70 -18.599 15.506 -6.530 586 HB2 ARG 70 HB2 ARG 70 -19.464 16.698 -8.702 587 HB3 ARG 70 HB1 ARG 70 -19.382 18.134 -7.714 588 HG2 ARG 70 HG2 ARG 70 -17.387 17.916 -9.040 589 HG3 ARG 70 HG1 ARG 70 -17.019 17.761 -7.324 590 HD2 ARG 70 HD2 ARG 70 -15.801 16.099 -8.561 591 HD3 ARG 70 HD1 ARG 70 -17.031 15.349 -7.553 592 HE ARG 70 HE ARG 70 -18.389 15.311 -9.711 593 HH11 ARG 70 HH11 ARG 70 -14.915 15.052 -9.588 594 HH12 ARG 70 HH12 ARG 70 -14.805 14.116 -11.042 595 HH21 ARG 70 HH21 ARG 70 -18.251 14.079 -11.625 596 HH22 ARG 70 HH22 ARG 70 -16.700 13.565 -12.200 597 H LYS 71 HN LYS 71 -18.096 18.555 -6.318 598 HA LYS 71 HA LYS 71 -17.859 18.640 -3.514 599 HB2 LYS 71 HB2 LYS 71 -16.432 19.925 -5.083 600 HB3 LYS 71 HB1 LYS 71 -17.809 20.950 -5.463 601 HG2 LYS 71 HG2 LYS 71 -16.423 22.100 -3.901 602 HG3 LYS 71 HG1 LYS 71 -17.902 21.615 -3.072 603 HD2 LYS 71 HD2 LYS 71 -16.085 21.156 -1.600 604 HD3 LYS 71 HD1 LYS 71 -16.653 19.607 -2.224 605 HE2 LYS 71 HE2 LYS 71 -14.838 19.622 -3.877 606 HE3 LYS 71 HE1 LYS 71 -14.268 21.158 -3.227 607 HZ1 LYS 71 HZ1 LYS 71 -12.993 19.322 -2.342 608 HZ2 LYS 71 HZ2 LYS 71 -14.396 18.585 -1.750 609 HZ3 LYS 71 HZ3 LYS 71 -13.878 20.058 -1.102 610 H1 ALA 15 HT1 ALA 15 3.825 23.020 20.475 611 H2 ALA 15 HT2 ALA 15 2.666 21.814 20.724 612 H3 ALA 15 HT3 ALA 15 3.557 21.845 19.288 613 HA ALA 15 HA ALA 15 5.584 21.371 20.470 614 HB1 ALA 15 HB1 ALA 15 3.816 21.227 22.909 615 HB2 ALA 15 HB2 ALA 15 4.981 22.503 22.555 616 HB3 ALA 15 HB3 ALA 15 5.539 20.855 22.849 617 HA PRO 16 HA PRO 16 3.204 17.480 19.484 618 HB2 PRO 16 HB2 PRO 16 4.602 16.816 17.268 619 HB3 PRO 16 HB1 PRO 16 3.230 17.930 17.224 620 HG2 PRO 16 HG2 PRO 16 6.162 18.540 17.271 621 HG3 PRO 16 HG1 PRO 16 4.886 19.266 16.277 622 HD2 PRO 16 HD2 PRO 16 5.854 20.456 18.512 623 HD3 PRO 16 HD1 PRO 16 4.172 20.647 17.978 624 H ARG 17 HN ARG 17 3.793 15.610 20.379 625 HA ARG 17 HA ARG 17 6.438 15.268 21.431 626 HB2 ARG 17 HB2 ARG 17 4.165 13.276 21.351 627 HB3 ARG 17 HB1 ARG 17 5.580 13.213 22.394 628 HG2 ARG 17 HG2 ARG 17 4.851 15.236 23.533 629 HG3 ARG 17 HG1 ARG 17 3.448 15.340 22.466 630 HD2 ARG 17 HD2 ARG 17 2.706 13.130 23.304 631 HD3 ARG 17 HD1 ARG 17 4.060 13.138 24.434 632 HE ARG 17 HE ARG 17 2.426 15.471 24.673 633 HH11 ARG 17 HH11 ARG 17 2.702 12.118 25.587 634 HH12 ARG 17 HH12 ARG 17 1.735 12.295 27.011 635 HH21 ARG 17 HH21 ARG 17 1.152 15.711 26.546 636 HH22 ARG 17 HH22 ARG 17 0.854 14.337 27.558 637 H LYS 18 HN LYS 18 4.535 13.823 18.837 638 HA LYS 18 HA LYS 18 6.880 13.111 17.379 639 HB2 LYS 18 HB2 LYS 18 6.441 10.669 17.299 640 HB3 LYS 18 HB1 LYS 18 6.934 11.230 18.889 641 HG2 LYS 18 HG2 LYS 18 4.624 11.163 19.647 642 HG3 LYS 18 HG1 LYS 18 4.104 10.647 18.042 643 HD2 LYS 18 HD2 LYS 18 5.519 8.631 18.277 644 HD3 LYS 18 HD1 LYS 18 5.918 9.136 19.920 645 HE2 LYS 18 HE2 LYS 18 3.159 8.507 18.875 646 HE3 LYS 18 HE1 LYS 18 4.135 7.467 19.914 647 HZ1 LYS 18 HZ1 LYS 18 3.098 10.159 20.624 648 HZ2 LYS 18 HZ2 LYS 18 4.064 9.191 21.620 649 HZ3 LYS 18 HZ3 LYS 18 2.506 8.682 21.200 650 H GLN 19 HN GLN 19 6.325 13.645 15.390 651 HA GLN 19 HA GLN 19 3.807 12.667 14.285 652 HB2 GLN 19 HB2 GLN 19 3.354 14.950 15.149 653 HB3 GLN 19 HB1 GLN 19 4.630 15.572 14.113 654 HG2 GLN 19 HG2 GLN 19 3.411 14.963 12.142 655 HG3 GLN 19 HG1 GLN 19 2.183 14.141 13.105 656 HE21 GLN 19 HE21 GLN 19 1.921 16.344 11.200 657 HE22 GLN 19 HE22 GLN 19 1.180 17.640 12.071 658 H LEU 20 HN LEU 20 5.232 11.258 13.145 659 HA LEU 20 HA LEU 20 7.187 12.367 11.339 660 HB2 LEU 20 HB2 LEU 20 6.147 9.550 11.654 661 HB3 LEU 20 HB1 LEU 20 7.457 10.012 10.587 662 HG LEU 20 HG LEU 20 8.444 9.059 12.520 663 HD11 LEU 20 HD11 LEU 20 9.577 11.046 11.682 664 HD12 LEU 20 HD12 LEU 20 9.768 10.891 13.427 665 HD13 LEU 20 HD13 LEU 20 8.623 12.057 12.766 666 HD21 LEU 20 HD21 LEU 20 6.866 10.988 14.215 667 HD22 LEU 20 HD22 LEU 20 7.976 9.738 14.779 668 HD23 LEU 20 HD23 LEU 20 6.466 9.285 13.988 669 H ALA 21 HN ALA 21 6.771 13.115 9.380 670 HA ALA 21 HA ALA 21 4.169 12.635 8.172 671 HB1 ALA 21 HB1 ALA 21 5.043 14.922 8.264 672 HB2 ALA 21 HB2 ALA 21 4.794 14.390 6.601 673 HB3 ALA 21 HB3 ALA 21 6.421 14.433 7.277 674 H THR 22 HN THR 22 4.526 12.716 5.546 675 HA THR 22 HA THR 22 5.017 11.494 3.695 676 HB THR 22 HB THR 22 7.572 10.788 5.155 677 HG1 THR 22 HG1 THR 22 6.961 12.882 3.316 678 HG21 THR 22 HG21 THR 22 8.463 10.353 2.905 679 HG22 THR 22 HG22 THR 22 6.866 10.652 2.221 680 HG23 THR 22 HG23 THR 22 7.122 9.276 3.292 681 H LYS 23 HN LYS 23 3.786 9.788 3.328 682 HA LYS 23 HA LYS 23 3.583 7.614 5.207 683 HB2 LYS 23 HB2 LYS 23 2.391 7.757 2.438 684 HB3 LYS 23 HB1 LYS 23 1.845 6.777 3.791 685 HG2 LYS 23 HG2 LYS 23 0.941 8.613 4.915 686 HG3 LYS 23 HG1 LYS 23 1.853 9.769 3.940 687 HD2 LYS 23 HD2 LYS 23 0.524 8.966 1.953 688 HD3 LYS 23 HD1 LYS 23 -0.490 8.077 3.089 689 HE2 LYS 23 HE2 LYS 23 -1.127 10.121 4.194 690 HE3 LYS 23 HE1 LYS 23 -0.004 11.049 3.203 691 HZ1 LYS 23 HZ1 LYS 23 -2.262 11.261 2.390 692 HZ2 LYS 23 HZ2 LYS 23 -2.390 9.584 2.211 693 HZ3 LYS 23 HZ3 LYS 23 -1.307 10.456 1.249 694 H ALA 24 HN ALA 24 3.760 5.313 4.436 695 HA ALA 24 HA ALA 24 5.353 4.659 2.188 696 HB1 ALA 24 HB1 ALA 24 7.425 4.036 3.256 697 HB2 ALA 24 HB2 ALA 24 6.804 4.544 4.826 698 HB3 ALA 24 HB3 ALA 24 7.093 5.741 3.562 699 H ALA 25 HN ALA 25 6.148 2.350 2.297 700 HA ALA 25 HA ALA 25 4.803 0.628 4.206 701 HB1 ALA 25 HB1 ALA 25 3.602 -0.661 2.517 702 HB2 ALA 25 HB2 ALA 25 4.144 0.455 1.265 703 HB3 ALA 25 HB3 ALA 25 3.053 1.015 2.532 704 H ARG 26 HN ARG 26 5.691 -1.477 4.250 705 HA ARG 26 HA ARG 26 8.333 -1.593 3.070 706 HB2 ARG 26 HB2 ARG 26 8.478 -3.734 4.472 707 HB3 ARG 26 HB1 ARG 26 8.426 -2.189 5.305 708 HG2 ARG 26 HG2 ARG 26 6.883 -3.246 6.547 709 HG3 ARG 26 HG1 ARG 26 5.809 -2.741 5.241 710 HD2 ARG 26 HD2 ARG 26 5.456 -5.065 5.755 711 HD3 ARG 26 HD1 ARG 26 6.155 -4.908 4.145 712 HE ARG 26 HE ARG 26 8.068 -5.362 6.260 713 HH11 ARG 26 HH11 ARG 26 5.993 -6.821 3.870 714 HH12 ARG 26 HH12 ARG 26 6.888 -8.302 3.811 715 HH21 ARG 26 HH21 ARG 26 9.251 -7.309 6.190 716 HH22 ARG 26 HH22 ARG 26 8.740 -8.580 5.128 717 H MLY 27 HN MLY 27 9.066 -2.975 1.602 718 HA MLY 27 HA MLY 27 7.108 -4.766 0.322 719 HB2 MLY 27 HB2 MLY 27 8.208 -2.783 -0.953 720 HB3 MLY 27 HB1 MLY 27 9.646 -3.791 -0.969 721 HG2 MLY 27 HG2 MLY 27 7.509 -5.404 -1.853 722 HG3 MLY 27 HG1 MLY 27 7.379 -3.861 -2.697 723 HD2 MLY 27 HD2 MLY 27 9.840 -5.607 -2.568 724 HD3 MLY 27 HD1 MLY 27 8.753 -5.450 -3.949 725 HE2 MLY 27 HE2 MLY 27 10.284 -3.151 -2.743 726 HE3 MLY 27 HE1 MLY 27 10.861 -4.107 -4.106 727 HH11 MLY 27 HH11 MLY 27 9.219 -0.901 -5.183 728 HH12 MLY 27 HH12 MLY 27 9.672 -1.107 -3.493 729 HH13 MLY 27 HH13 MLY 27 10.810 -1.545 -4.768 730 HH21 MLY 27 HH21 MLY 27 10.345 -3.480 -6.193 731 HH22 MLY 27 HH22 MLY 27 8.901 -4.449 -5.910 732 HH23 MLY 27 HH23 MLY 27 8.753 -2.817 -6.566 733 HZ MLY 27 HZ MLY 27 8.216 -2.887 -4.209 734 H SER 28 HN SER 28 8.669 -5.378 2.670 735 HA SER 28 HA SER 28 9.852 -7.089 3.566 736 HB2 SER 28 HB2 SER 28 9.649 -8.316 0.799 737 HB3 SER 28 HB1 SER 28 10.114 -9.164 2.273 738 HG SER 28 HG SER 28 8.077 -9.442 2.638 739 H ALA 29 HN ALA 29 11.528 -5.411 3.632 740 HA ALA 29 HA ALA 29 13.705 -4.791 3.524 741 HB1 ALA 29 HB1 ALA 29 15.375 -6.450 2.878 742 HB2 ALA 29 HB2 ALA 29 14.106 -7.476 2.210 743 HB3 ALA 29 HB3 ALA 29 14.158 -7.154 3.942 744 HA PRO 30 HA PRO 30 14.259 -2.723 -0.332 745 HB2 PRO 30 HB2 PRO 30 17.185 -2.962 0.064 746 HB3 PRO 30 HB1 PRO 30 16.189 -1.515 -0.120 747 HG2 PRO 30 HG2 PRO 30 17.216 -2.185 2.251 748 HG3 PRO 30 HG1 PRO 30 15.595 -1.476 2.116 749 HD2 PRO 30 HD2 PRO 30 16.386 -4.328 2.555 750 HD3 PRO 30 HD1 PRO 30 15.055 -3.403 3.279 Start of MODEL 20 1 H MET 1 HT1 MET 1 18.331 -19.798 1.154 2 HA MET 1 HA MET 1 18.401 -17.860 2.566 3 HB2 MET 1 HB2 MET 1 19.884 -18.049 0.016 4 HB3 MET 1 HB1 MET 1 19.979 -16.493 0.833 5 HG2 MET 1 HG2 MET 1 20.760 -17.638 2.865 6 HG3 MET 1 HG1 MET 1 20.711 -19.173 2.001 7 HE1 MET 1 HE1 MET 1 23.318 -19.488 2.798 8 HE2 MET 1 HE2 MET 1 23.230 -17.905 3.568 9 HE3 MET 1 HE3 MET 1 24.556 -18.277 2.467 10 H GLU 2 HN GLU 2 18.801 -15.366 2.222 11 HA GLU 2 HA GLU 2 17.820 -13.330 1.998 12 HB2 GLU 2 HB2 GLU 2 16.737 -14.415 -0.602 13 HB3 GLU 2 HB1 GLU 2 17.019 -12.729 -0.189 14 HG2 GLU 2 HG2 GLU 2 19.400 -13.091 -0.154 15 HG3 GLU 2 HG1 GLU 2 19.171 -14.820 -0.426 16 H LEU 3 HN LEU 3 16.439 -14.102 3.806 17 HA LEU 3 HA LEU 3 13.714 -13.472 3.287 18 HB2 LEU 3 HB2 LEU 3 13.836 -15.860 2.533 19 HB3 LEU 3 HB1 LEU 3 14.271 -16.303 4.172 20 HG LEU 3 HG LEU 3 12.082 -15.350 4.938 21 HD11 LEU 3 HD11 LEU 3 11.692 -13.856 3.042 22 HD12 LEU 3 HD12 LEU 3 10.344 -14.968 3.280 23 HD13 LEU 3 HD13 LEU 3 11.503 -15.251 1.981 24 HD21 LEU 3 HD21 LEU 3 11.913 -17.566 2.898 25 HD22 LEU 3 HD22 LEU 3 10.767 -17.255 4.203 26 HD23 LEU 3 HD23 LEU 3 12.416 -17.754 4.578 27 H SER 4 HN SER 4 16.369 -13.869 5.247 28 HA SER 4 HA SER 4 14.824 -13.109 7.618 29 HB2 SER 4 HB2 SER 4 16.965 -15.216 7.406 30 HB3 SER 4 HB1 SER 4 16.574 -14.441 8.935 31 HG SER 4 HG SER 4 15.428 -16.463 8.404 32 H ALA 5 HN ALA 5 18.001 -13.205 6.047 33 HA ALA 5 HA ALA 5 19.305 -11.434 7.798 34 HB1 ALA 5 HB1 ALA 5 19.888 -11.957 4.888 35 HB2 ALA 5 HB2 ALA 5 20.509 -12.892 6.249 36 HB3 ALA 5 HB3 ALA 5 20.984 -11.206 6.047 37 H ILE 6 HN ILE 6 17.263 -10.913 5.025 38 HA ILE 6 HA ILE 6 17.872 -8.197 4.568 39 HB ILE 6 HB ILE 6 15.332 -9.728 3.993 40 HG12 ILE 6 HG12 ILE 6 17.625 -8.958 2.174 41 HG13 ILE 6 HG11 ILE 6 17.396 -10.557 2.874 42 HG21 ILE 6 HG21 ILE 6 14.812 -7.389 4.054 43 HG22 ILE 6 HG22 ILE 6 14.874 -7.903 2.369 44 HG23 ILE 6 HG23 ILE 6 16.219 -7.002 3.066 45 HD11 ILE 6 HD11 ILE 6 16.643 -10.447 0.555 46 HD12 ILE 6 HD12 ILE 6 15.488 -9.187 0.991 47 HD13 ILE 6 HD13 ILE 6 15.314 -10.810 1.656 48 H GLY 7 HN GLY 7 14.836 -9.457 5.957 49 HA2 GLY 7 HA2 GLY 7 13.474 -8.636 7.610 50 HA3 GLY 7 HA1 GLY 7 14.913 -7.915 8.305 51 H GLU 8 HN GLU 8 12.526 -7.446 5.744 52 HA GLU 8 HA GLU 8 11.566 -5.585 4.847 53 HB2 GLU 8 HB2 GLU 8 12.284 -4.208 7.434 54 HB3 GLU 8 HB1 GLU 8 10.959 -3.827 6.343 55 HG2 GLU 8 HG2 GLU 8 9.809 -5.843 6.922 56 HG3 GLU 8 HG1 GLU 8 11.181 -6.405 7.874 57 H GLN 9 HN GLN 9 12.009 -2.954 4.879 58 HA GLN 9 HA GLN 9 14.708 -2.149 4.846 59 HB2 GLN 9 HB2 GLN 9 14.816 -1.812 2.309 60 HB3 GLN 9 HB1 GLN 9 15.065 -3.444 2.916 61 HG2 GLN 9 HG2 GLN 9 12.702 -3.942 2.421 62 HG3 GLN 9 HG1 GLN 9 12.553 -2.345 1.694 63 HE21 GLN 9 HE21 GLN 9 12.028 -3.259 -0.305 64 HE22 GLN 9 HE22 GLN 9 13.220 -4.006 -1.308 65 H VAL 10 HN VAL 10 11.462 -1.686 3.564 66 HA VAL 10 HA VAL 10 10.115 0.145 3.425 67 HB VAL 10 HB VAL 10 12.132 1.582 5.145 68 HG11 VAL 10 HG11 VAL 10 9.182 1.972 4.676 69 HG12 VAL 10 HG12 VAL 10 10.493 3.063 4.221 70 HG13 VAL 10 HG13 VAL 10 10.112 2.804 5.923 71 HG21 VAL 10 HG21 VAL 10 9.859 -0.211 6.014 72 HG22 VAL 10 HG22 VAL 10 10.833 0.803 7.080 73 HG23 VAL 10 HG23 VAL 10 11.584 -0.532 6.207 74 H PHE 11 HN PHE 11 9.815 1.924 2.113 75 HA PHE 11 HA PHE 11 12.182 3.182 0.945 76 HB2 PHE 11 HB2 PHE 11 10.017 1.760 -0.582 77 HB3 PHE 11 HB1 PHE 11 10.973 3.036 -1.324 78 HD1 PHE 11 HD2 PHE 11 13.654 2.570 -0.405 79 HD2 PHE 11 HD1 PHE 11 10.650 -0.246 -1.474 80 HE1 PHE 11 HE2 PHE 11 15.399 0.930 -0.975 81 HE2 PHE 11 HE1 PHE 11 12.388 -1.889 -2.048 82 HZ PHE 11 HZ PHE 11 14.766 -1.302 -1.798 83 H ALA 12 HN ALA 12 9.280 3.684 -0.740 84 HA ALA 12 HA ALA 12 8.159 5.760 0.849 85 HB1 ALA 12 HB1 ALA 12 8.726 7.643 -0.647 86 HB2 ALA 12 HB2 ALA 12 9.832 6.587 -1.524 87 HB3 ALA 12 HB3 ALA 12 10.140 6.978 0.168 88 H VAL 13 HN VAL 13 6.153 4.989 0.417 89 HA VAL 13 HA VAL 13 5.361 4.168 -2.221 90 HB VAL 13 HB VAL 13 3.413 4.701 -0.011 91 HG11 VAL 13 HG11 VAL 13 3.020 2.251 -1.340 92 HG12 VAL 13 HG12 VAL 13 3.344 3.474 -2.572 93 HG13 VAL 13 HG13 VAL 13 2.028 3.707 -1.420 94 HG21 VAL 13 HG21 VAL 13 3.790 2.369 0.739 95 HG22 VAL 13 HG22 VAL 13 5.103 3.482 1.130 96 HG23 VAL 13 HG23 VAL 13 5.274 2.352 -0.211 97 H GLU 14 HN GLU 14 4.572 5.419 -3.776 98 HA GLU 14 HA GLU 14 4.088 8.179 -3.470 99 HB2 GLU 14 HB2 GLU 14 4.574 6.883 -5.636 100 HB3 GLU 14 HB1 GLU 14 2.875 6.431 -5.620 101 HG2 GLU 14 HG2 GLU 14 3.874 9.271 -5.643 102 HG3 GLU 14 HG1 GLU 14 3.419 8.362 -7.083 103 H SER 15 HN SER 15 2.041 5.331 -3.624 104 HA SER 15 HA SER 15 0.222 5.850 -1.705 105 HB2 SER 15 HB2 SER 15 -0.544 7.897 -2.601 106 HB3 SER 15 HB1 SER 15 -0.586 7.262 -4.245 107 HG SER 15 HG SER 15 -2.620 7.445 -2.779 108 H ILE 16 HN ILE 16 -1.644 4.476 -1.762 109 HA ILE 16 HA ILE 16 -1.167 1.997 -2.984 110 HB ILE 16 HB ILE 16 -3.812 2.976 -1.914 111 HG12 ILE 16 HG12 ILE 16 -1.512 1.672 -0.448 112 HG13 ILE 16 HG11 ILE 16 -2.025 3.347 -0.277 113 HG21 ILE 16 HG21 ILE 16 -4.237 0.628 -1.446 114 HG22 ILE 16 HG22 ILE 16 -2.668 0.194 -2.134 115 HG23 ILE 16 HG23 ILE 16 -3.925 0.877 -3.165 116 HD11 ILE 16 HD11 ILE 16 -2.763 1.593 1.460 117 HD12 ILE 16 HD12 ILE 16 -3.957 1.141 0.253 118 HD13 ILE 16 HD13 ILE 16 -3.923 2.785 0.890 119 H ARG 17 HN ARG 17 -2.512 0.839 -4.470 120 HA ARG 17 HA ARG 17 -3.778 2.529 -6.525 121 HB2 ARG 17 HB2 ARG 17 -1.550 1.006 -6.922 122 HB3 ARG 17 HB1 ARG 17 -2.821 -0.114 -7.319 123 HG2 ARG 17 HG2 ARG 17 -3.659 1.272 -8.998 124 HG3 ARG 17 HG1 ARG 17 -2.607 2.602 -8.530 125 HD2 ARG 17 HD2 ARG 17 -0.664 1.233 -9.143 126 HD3 ARG 17 HD1 ARG 17 -1.745 -0.066 -9.638 127 HE ARG 17 HE ARG 17 -2.050 2.525 -10.946 128 HH11 ARG 17 HH11 ARG 17 -0.913 -0.766 -11.074 129 HH12 ARG 17 HH12 ARG 17 -0.777 -0.789 -12.800 130 HH21 ARG 17 HH21 ARG 17 -1.875 2.504 -13.222 131 HH22 ARG 17 HH22 ARG 17 -1.322 1.070 -14.021 132 H LYS 18 HN LYS 18 -3.648 -0.699 -5.088 133 HA LYS 18 HA LYS 18 -6.541 -0.964 -5.556 134 HB2 LYS 18 HB2 LYS 18 -4.514 -3.129 -6.029 135 HB3 LYS 18 HB1 LYS 18 -6.243 -3.237 -6.295 136 HG2 LYS 18 HG2 LYS 18 -6.165 -1.793 -8.126 137 HG3 LYS 18 HG1 LYS 18 -4.553 -1.217 -7.710 138 HD2 LYS 18 HD2 LYS 18 -3.662 -3.456 -8.176 139 HD3 LYS 18 HD1 LYS 18 -5.269 -3.972 -8.663 140 HE2 LYS 18 HE2 LYS 18 -5.291 -2.486 -10.509 141 HE3 LYS 18 HE1 LYS 18 -3.843 -1.668 -9.930 142 HZ1 LYS 18 HZ1 LYS 18 -3.981 -4.463 -10.918 143 HZ2 LYS 18 HZ2 LYS 18 -2.589 -3.708 -10.328 144 HZ3 LYS 18 HZ3 LYS 18 -3.316 -3.148 -11.749 145 H LYS 19 HN LYS 19 -7.331 -3.067 -4.436 146 HA LYS 19 HA LYS 19 -5.951 -3.723 -1.973 147 HB2 LYS 19 HB2 LYS 19 -7.196 -1.861 -1.156 148 HB3 LYS 19 HB1 LYS 19 -8.647 -2.377 -2.000 149 HG2 LYS 19 HG2 LYS 19 -8.734 -4.365 -0.537 150 HG3 LYS 19 HG1 LYS 19 -7.344 -3.739 0.344 151 HD2 LYS 19 HD2 LYS 19 -8.623 -1.757 0.955 152 HD3 LYS 19 HD1 LYS 19 -10.010 -2.359 0.048 153 HE2 LYS 19 HE2 LYS 19 -9.758 -4.446 1.563 154 HE3 LYS 19 HE1 LYS 19 -8.831 -3.385 2.603 155 HZ1 LYS 19 HZ1 LYS 19 -11.144 -3.424 3.263 156 HZ2 LYS 19 HZ2 LYS 19 -11.630 -2.927 1.721 157 HZ3 LYS 19 HZ3 LYS 19 -10.731 -1.882 2.702 158 H ARG 20 HN ARG 20 -5.978 -5.879 -1.979 159 HA ARG 20 HA ARG 20 -8.444 -7.212 -2.878 160 HB2 ARG 20 HB2 ARG 20 -7.227 -8.888 -3.938 161 HB3 ARG 20 HB1 ARG 20 -6.296 -7.448 -4.298 162 HG2 ARG 20 HG2 ARG 20 -4.634 -8.005 -2.710 163 HG3 ARG 20 HG1 ARG 20 -5.632 -9.283 -2.014 164 HD2 ARG 20 HD2 ARG 20 -5.527 -10.463 -4.204 165 HD3 ARG 20 HD1 ARG 20 -4.392 -9.235 -4.760 166 HE ARG 20 HE ARG 20 -3.608 -10.550 -2.320 167 HH11 ARG 20 HH11 ARG 20 -3.495 -10.635 -5.802 168 HH12 ARG 20 HH12 ARG 20 -2.069 -11.616 -5.859 169 HH21 ARG 20 HH21 ARG 20 -1.731 -11.846 -2.387 170 HH22 ARG 20 HH22 ARG 20 -1.067 -12.306 -3.919 171 H VAL 21 HN VAL 21 -9.328 -8.750 -1.580 172 HA VAL 21 HA VAL 21 -7.877 -9.357 0.906 173 HB VAL 21 HB VAL 21 -10.846 -8.901 0.607 174 HG11 VAL 21 HG11 VAL 21 -9.302 -9.562 3.113 175 HG12 VAL 21 HG12 VAL 21 -10.237 -10.745 2.192 176 HG13 VAL 21 HG13 VAL 21 -11.051 -9.374 2.947 177 HG21 VAL 21 HG21 VAL 21 -9.017 -7.429 2.446 178 HG22 VAL 21 HG22 VAL 21 -10.562 -6.916 1.756 179 HG23 VAL 21 HG23 VAL 21 -9.113 -6.959 0.746 180 H ARG 22 HN ARG 22 -8.092 -11.418 1.777 181 HA ARG 22 HA ARG 22 -9.505 -13.434 0.181 182 HB2 ARG 22 HB2 ARG 22 -7.062 -13.387 -0.419 183 HB3 ARG 22 HB1 ARG 22 -6.712 -13.806 1.249 184 HG2 ARG 22 HG2 ARG 22 -7.994 -15.874 0.995 185 HG3 ARG 22 HG1 ARG 22 -8.306 -15.456 -0.688 186 HD2 ARG 22 HD2 ARG 22 -5.892 -15.487 -1.131 187 HD3 ARG 22 HD1 ARG 22 -5.596 -15.930 0.550 188 HE ARG 22 HE ARG 22 -7.371 -17.774 -0.649 189 HH11 ARG 22 HH11 ARG 22 -4.012 -16.842 -0.628 190 HH12 ARG 22 HH12 ARG 22 -3.441 -18.420 -1.058 191 HH21 ARG 22 HH21 ARG 22 -6.627 -19.850 -1.216 192 HH22 ARG 22 HH22 ARG 22 -4.928 -20.129 -1.393 193 H LYS 23 HN LYS 23 -11.063 -13.923 1.653 194 HA LYS 23 HA LYS 23 -12.025 -14.751 3.543 195 HB2 LYS 23 HB2 LYS 23 -9.231 -15.783 3.930 196 HB3 LYS 23 HB1 LYS 23 -10.538 -16.148 5.047 197 HG2 LYS 23 HG2 LYS 23 -11.683 -17.430 3.490 198 HG3 LYS 23 HG1 LYS 23 -10.834 -16.701 2.130 199 HD2 LYS 23 HD2 LYS 23 -10.071 -18.986 2.519 200 HD3 LYS 23 HD1 LYS 23 -8.778 -17.817 2.795 201 HE2 LYS 23 HE2 LYS 23 -8.749 -19.483 4.543 202 HE3 LYS 23 HE1 LYS 23 -9.233 -17.922 5.205 203 HZ1 LYS 23 HZ1 LYS 23 -10.621 -19.673 6.074 204 HZ2 LYS 23 HZ2 LYS 23 -11.055 -20.161 4.514 205 HZ3 LYS 23 HZ3 LYS 23 -11.547 -18.650 5.095 206 H GLY 24 HN GLY 24 -9.973 -12.287 3.457 207 HA2 GLY 24 HA2 GLY 24 -10.673 -10.564 5.187 208 HA3 GLY 24 HA1 GLY 24 -10.062 -11.737 6.340 209 H LYS 25 HN LYS 25 -7.990 -12.386 4.139 210 HA LYS 25 HA LYS 25 -5.929 -10.737 5.178 211 HB2 LYS 25 HB2 LYS 25 -5.849 -12.491 2.729 212 HB3 LYS 25 HB1 LYS 25 -4.471 -11.918 3.651 213 HG2 LYS 25 HG2 LYS 25 -4.972 -13.320 5.468 214 HG3 LYS 25 HG1 LYS 25 -6.588 -13.662 4.854 215 HD2 LYS 25 HD2 LYS 25 -5.261 -15.578 4.393 216 HD3 LYS 25 HD1 LYS 25 -5.499 -14.723 2.866 217 HE2 LYS 25 HE2 LYS 25 -3.194 -15.447 3.064 218 HE3 LYS 25 HE1 LYS 25 -3.292 -13.688 3.114 219 HZ1 LYS 25 HZ1 LYS 25 -3.095 -13.782 5.522 220 HZ2 LYS 25 HZ2 LYS 25 -1.769 -14.527 4.783 221 HZ3 LYS 25 HZ3 LYS 25 -2.993 -15.471 5.471 222 H VAL 26 HN VAL 26 -6.005 -8.612 4.715 223 HA VAL 26 HA VAL 26 -6.806 -7.717 2.074 224 HB VAL 26 HB VAL 26 -5.877 -5.976 4.304 225 HG11 VAL 26 HG11 VAL 26 -8.037 -5.385 2.330 226 HG12 VAL 26 HG12 VAL 26 -6.365 -5.272 1.837 227 HG13 VAL 26 HG13 VAL 26 -6.964 -4.279 3.162 228 HG21 VAL 26 HG21 VAL 26 -8.719 -6.440 3.966 229 HG22 VAL 26 HG22 VAL 26 -7.813 -6.127 5.436 230 HG23 VAL 26 HG23 VAL 26 -7.836 -7.747 4.730 231 H GLU 27 HN GLU 27 -5.530 -6.538 0.687 232 HA GLU 27 HA GLU 27 -2.743 -6.019 1.373 233 HB2 GLU 27 HB2 GLU 27 -3.617 -7.440 -1.155 234 HB3 GLU 27 HB1 GLU 27 -1.980 -6.955 -0.759 235 HG2 GLU 27 HG2 GLU 27 -2.646 -8.463 1.401 236 HG3 GLU 27 HG1 GLU 27 -3.518 -9.277 0.106 237 H TYR 28 HN TYR 28 -1.737 -4.524 -0.190 238 HA TYR 28 HA TYR 28 -3.727 -2.860 -1.572 239 HB2 TYR 28 HB2 TYR 28 -1.643 -2.005 0.401 240 HB3 TYR 28 HB1 TYR 28 -2.295 -0.876 -0.768 241 HD1 TYR 28 HD1 TYR 28 -5.131 -1.353 -0.783 242 HD2 TYR 28 HD2 TYR 28 -2.450 -1.588 2.458 243 HE1 TYR 28 HE1 TYR 28 -6.986 -0.956 0.778 244 HE2 TYR 28 HE2 TYR 28 -4.280 -1.102 4.013 245 HH TYR 28 HH TYR 28 -7.544 -1.272 3.092 246 H LEU 29 HN LEU 29 -3.175 -2.860 -3.695 247 HA LEU 29 HA LEU 29 -0.534 -3.393 -4.592 248 HB2 LEU 29 HB2 LEU 29 -2.716 -3.690 -5.918 249 HB3 LEU 29 HB1 LEU 29 -2.671 -1.967 -6.181 250 HG LEU 29 HG LEU 29 -1.749 -3.562 -8.009 251 HD11 LEU 29 HD11 LEU 29 -1.631 -1.144 -8.033 252 HD12 LEU 29 HD12 LEU 29 -0.201 -1.885 -8.736 253 HD13 LEU 29 HD13 LEU 29 -0.139 -1.204 -7.108 254 HD21 LEU 29 HD21 LEU 29 0.622 -3.343 -6.203 255 HD22 LEU 29 HD22 LEU 29 0.612 -4.055 -7.815 256 HD23 LEU 29 HD23 LEU 29 -0.278 -4.827 -6.498 257 H VAL 30 HN VAL 30 0.756 -1.960 -3.445 258 HA VAL 30 HA VAL 30 0.301 0.852 -3.424 259 HB VAL 30 HB VAL 30 2.727 0.860 -2.561 260 HG11 VAL 30 HG11 VAL 30 1.996 0.207 -0.340 261 HG12 VAL 30 HG12 VAL 30 0.610 -0.643 -1.026 262 HG13 VAL 30 HG13 VAL 30 0.721 1.112 -1.158 263 HG21 VAL 30 HG21 VAL 30 3.448 -1.313 -1.627 264 HG22 VAL 30 HG22 VAL 30 3.431 -1.282 -3.391 265 HG23 VAL 30 HG23 VAL 30 2.134 -2.090 -2.510 266 H LYS 31 HN LYS 31 1.146 2.452 -4.576 267 HA LYS 31 HA LYS 31 2.736 1.775 -6.939 268 HB2 LYS 31 HB2 LYS 31 1.246 4.303 -6.195 269 HB3 LYS 31 HB1 LYS 31 2.173 4.090 -7.672 270 HG2 LYS 31 HG2 LYS 31 0.666 2.283 -8.346 271 HG3 LYS 31 HG1 LYS 31 -0.275 2.533 -6.874 272 HD2 LYS 31 HD2 LYS 31 0.224 4.685 -8.923 273 HD3 LYS 31 HD1 LYS 31 -1.199 3.643 -8.933 274 HE2 LYS 31 HE2 LYS 31 -1.813 4.441 -6.713 275 HE3 LYS 31 HE1 LYS 31 -0.370 5.454 -6.665 276 HZ1 LYS 31 HZ1 LYS 31 -2.577 5.720 -8.635 277 HZ2 LYS 31 HZ2 LYS 31 -1.219 6.722 -8.517 278 HZ3 LYS 31 HZ3 LYS 31 -2.365 6.702 -7.274 279 H TRP 32 HN TRP 32 4.822 1.704 -6.333 280 HA TRP 32 HA TRP 32 5.981 3.298 -4.309 281 HB2 TRP 32 HB2 TRP 32 7.249 1.754 -6.586 282 HB3 TRP 32 HB1 TRP 32 8.127 2.409 -5.209 283 HD1 TRP 32 HD1 TRP 32 6.322 -0.625 -6.309 284 HE1 TRP 32 HE1 TRP 32 5.982 -2.238 -4.334 285 HE3 TRP 32 HE3 TRP 32 7.584 2.507 -2.489 286 HZ2 TRP 32 HZ2 TRP 32 6.217 -2.184 -1.520 287 HZ3 TRP 32 HZ3 TRP 32 7.507 1.659 -0.180 288 HH2 TRP 32 HH2 TRP 32 6.822 -0.638 0.287 289 H LYS 33 HN LYS 33 6.826 5.295 -4.363 290 HA LYS 33 HA LYS 33 6.334 7.063 -6.463 291 HB2 LYS 33 HB2 LYS 33 6.663 7.772 -4.141 292 HB3 LYS 33 HB1 LYS 33 8.363 7.343 -4.249 293 HG2 LYS 33 HG2 LYS 33 8.896 9.175 -5.467 294 HG3 LYS 33 HG1 LYS 33 7.328 9.229 -6.270 295 HD2 LYS 33 HD2 LYS 33 7.407 11.116 -4.845 296 HD3 LYS 33 HD1 LYS 33 6.353 9.929 -4.071 297 HE2 LYS 33 HE2 LYS 33 8.272 9.193 -2.696 298 HE3 LYS 33 HE1 LYS 33 9.236 10.489 -3.400 299 HZ1 LYS 33 HZ1 LYS 33 7.660 12.093 -2.487 300 HZ2 LYS 33 HZ2 LYS 33 8.344 11.146 -1.263 301 HZ3 LYS 33 HZ3 LYS 33 6.765 10.838 -1.787 302 H GLY 34 HN GLY 34 9.536 5.875 -5.401 303 HA2 GLY 34 HA2 GLY 34 10.821 6.893 -7.750 304 HA3 GLY 34 HA1 GLY 34 11.556 5.883 -6.518 305 H TRP 35 HN TRP 35 8.657 4.717 -8.003 306 HA TRP 35 HA TRP 35 10.155 3.153 -9.961 307 HB2 TRP 35 HB2 TRP 35 8.525 1.968 -7.725 308 HB3 TRP 35 HB1 TRP 35 8.948 1.066 -9.166 309 HD1 TRP 35 HD1 TRP 35 10.503 2.551 -5.996 310 HE1 TRP 35 HE1 TRP 35 12.804 1.457 -5.624 311 HE3 TRP 35 HE3 TRP 35 10.876 -0.073 -10.374 312 HZ2 TRP 35 HZ2 TRP 35 14.545 -0.286 -7.002 313 HZ3 TRP 35 HZ3 TRP 35 12.891 -1.428 -10.765 314 HH2 TRP 35 HH2 TRP 35 14.687 -1.533 -9.113 315 HA PRO 36 HA PRO 36 6.537 3.761 -12.424 316 HB2 PRO 36 HB2 PRO 36 7.061 1.194 -13.734 317 HB3 PRO 36 HB1 PRO 36 7.135 2.821 -14.405 318 HG2 PRO 36 HG2 PRO 36 9.345 1.357 -13.973 319 HG3 PRO 36 HG1 PRO 36 9.323 3.114 -13.782 320 HD2 PRO 36 HD2 PRO 36 9.174 0.983 -11.689 321 HD3 PRO 36 HD1 PRO 36 10.100 2.494 -11.691 322 HA PRO 37 HA PRO 37 3.168 1.448 -10.696 323 HB2 PRO 37 HB2 PRO 37 1.538 1.204 -12.924 324 HB3 PRO 37 HB1 PRO 37 1.592 2.616 -11.863 325 HG2 PRO 37 HG2 PRO 37 2.932 2.167 -14.496 326 HG3 PRO 37 HG1 PRO 37 2.171 3.637 -13.860 327 HD2 PRO 37 HD2 PRO 37 4.835 3.346 -13.896 328 HD3 PRO 37 HD1 PRO 37 4.014 4.178 -12.559 329 H LYS 38 HN LYS 38 4.953 0.394 -13.418 330 HA LYS 38 HA LYS 38 3.806 -2.174 -13.784 331 HB2 LYS 38 HB2 LYS 38 6.330 -0.840 -14.623 332 HB3 LYS 38 HB1 LYS 38 6.147 -2.579 -14.837 333 HG2 LYS 38 HG2 LYS 38 5.397 -1.765 -16.831 334 HG3 LYS 38 HG1 LYS 38 3.901 -1.965 -15.948 335 HD2 LYS 38 HD2 LYS 38 3.925 0.160 -17.134 336 HD3 LYS 38 HD1 LYS 38 3.916 0.416 -15.390 337 HE2 LYS 38 HE2 LYS 38 5.970 1.345 -15.384 338 HE3 LYS 38 HE1 LYS 38 6.580 0.274 -16.642 339 HZ1 LYS 38 HZ1 LYS 38 6.477 2.560 -17.405 340 HZ2 LYS 38 HZ2 LYS 38 4.821 2.631 -17.067 341 HZ3 LYS 38 HZ3 LYS 38 5.391 1.602 -18.283 342 H TYR 39 HN TYR 39 6.131 -0.865 -11.581 343 HA TYR 39 HA TYR 39 6.923 -3.541 -10.709 344 HB2 TYR 39 HB2 TYR 39 8.068 -0.806 -10.189 345 HB3 TYR 39 HB1 TYR 39 8.583 -2.227 -9.300 346 HD1 TYR 39 HD1 TYR 39 8.608 -0.545 -12.523 347 HD2 TYR 39 HD2 TYR 39 9.930 -3.950 -10.357 348 HE1 TYR 39 HE1 TYR 39 10.208 -1.048 -14.308 349 HE2 TYR 39 HE2 TYR 39 11.542 -4.468 -12.143 350 HH TYR 39 HH TYR 39 12.305 -2.265 -14.623 351 H SER 40 HN SER 40 4.390 -1.763 -10.100 352 HA SER 40 HA SER 40 4.254 -1.187 -7.406 353 HB2 SER 40 HB2 SER 40 2.092 -2.374 -9.146 354 HB3 SER 40 HB1 SER 40 1.828 -1.670 -7.555 355 HG SER 40 HG SER 40 1.572 0.095 -8.687 356 H THR 41 HN THR 41 3.343 -2.413 -5.600 357 HA THR 41 HA THR 41 3.596 -5.315 -5.930 358 HB THR 41 HB THR 41 4.924 -5.579 -3.938 359 HG1 THR 41 HG1 THR 41 4.110 -3.749 -2.786 360 HG21 THR 41 HG21 THR 41 6.024 -4.972 -6.164 361 HG22 THR 41 HG22 THR 41 6.998 -4.770 -4.709 362 HG23 THR 41 HG23 THR 41 6.259 -3.366 -5.477 363 H TRP 42 HN TRP 42 2.736 -6.549 -4.099 364 HA TRP 42 HA TRP 42 0.351 -5.230 -3.007 365 HB2 TRP 42 HB2 TRP 42 1.024 -8.105 -3.591 366 HB3 TRP 42 HB1 TRP 42 -0.327 -7.670 -2.552 367 HD1 TRP 42 HD1 TRP 42 0.626 -8.065 -6.148 368 HE1 TRP 42 HE1 TRP 42 -1.381 -7.466 -7.645 369 HE3 TRP 42 HE3 TRP 42 -2.391 -5.884 -2.640 370 HZ2 TRP 42 HZ2 TRP 42 -3.909 -6.241 -7.370 371 HZ3 TRP 42 HZ3 TRP 42 -4.591 -5.033 -3.344 372 HH2 TRP 42 HH2 TRP 42 -5.327 -5.208 -5.668 373 H GLU 43 HN GLU 43 0.855 -4.386 -1.055 374 HA GLU 43 HA GLU 43 2.442 -6.023 0.793 375 HB2 GLU 43 HB2 GLU 43 1.701 -3.108 1.063 376 HB3 GLU 43 HB1 GLU 43 2.865 -3.997 2.035 377 HG2 GLU 43 HG2 GLU 43 3.096 -3.239 -0.862 378 HG3 GLU 43 HG1 GLU 43 4.071 -2.658 0.487 379 HA PRO 44 HA PRO 44 -1.311 -7.121 2.934 380 HB2 PRO 44 HB2 PRO 44 -0.099 -7.680 5.369 381 HB3 PRO 44 HB1 PRO 44 -0.276 -8.824 4.035 382 HG2 PRO 44 HG2 PRO 44 2.076 -7.159 4.809 383 HG3 PRO 44 HG1 PRO 44 2.029 -8.827 4.208 384 HD2 PRO 44 HD2 PRO 44 2.731 -6.785 2.620 385 HD3 PRO 44 HD1 PRO 44 1.780 -8.152 2.000 386 H GLU 45 HN GLU 45 -2.717 -6.197 4.404 387 HA GLU 45 HA GLU 45 -2.395 -3.459 4.962 388 HB2 GLU 45 HB2 GLU 45 -4.363 -5.623 5.379 389 HB3 GLU 45 HB1 GLU 45 -4.500 -4.254 6.452 390 HG2 GLU 45 HG2 GLU 45 -5.872 -4.031 4.466 391 HG3 GLU 45 HG1 GLU 45 -4.690 -2.752 4.639 392 H GLU 46 HN GLU 46 -1.037 -6.078 6.516 393 HA GLU 46 HA GLU 46 -1.021 -4.792 9.149 394 HB2 GLU 46 HB2 GLU 46 0.033 -7.510 8.345 395 HB3 GLU 46 HB1 GLU 46 -0.105 -6.891 9.985 396 HG2 GLU 46 HG2 GLU 46 -2.536 -6.822 9.755 397 HG3 GLU 46 HG1 GLU 46 -2.396 -7.446 8.112 398 H HIS 47 HN HIS 47 0.760 -4.748 6.360 399 HA HIS 47 HA HIS 47 3.305 -4.343 7.790 400 HB2 HIS 47 HB2 HIS 47 2.659 -5.440 5.101 401 HB3 HIS 47 HB1 HIS 47 4.160 -4.542 5.282 402 HD1 HIS 47 HD1 HIS 47 2.414 -7.616 6.606 403 HD2 HIS 47 HD2 HIS 47 6.199 -5.904 6.524 404 HE1 HIS 47 HE1 HIS 47 3.967 -9.374 7.515 405 HE2 HIS 47 HE2 HIS 47 6.237 -8.282 7.541 406 H ILE 48 HN ILE 48 0.942 -2.791 5.758 407 HA ILE 48 HA ILE 48 2.441 -0.696 4.665 408 HB ILE 48 HB ILE 48 -0.327 -0.347 5.846 409 HG12 ILE 48 HG12 ILE 48 -0.065 -2.366 4.291 410 HG13 ILE 48 HG11 ILE 48 -1.309 -1.195 3.898 411 HG21 ILE 48 HG21 ILE 48 -0.532 1.269 3.916 412 HG22 ILE 48 HG22 ILE 48 1.211 1.087 3.702 413 HG23 ILE 48 HG23 ILE 48 0.573 1.740 5.210 414 HD11 ILE 48 HD11 ILE 48 -0.338 -0.626 1.959 415 HD12 ILE 48 HD12 ILE 48 0.451 -2.195 2.129 416 HD13 ILE 48 HD13 ILE 48 1.293 -0.727 2.625 417 H LEU 49 HN LEU 49 3.921 0.284 5.801 418 HA LEU 49 HA LEU 49 3.899 0.671 8.589 419 HB2 LEU 49 HB2 LEU 49 5.554 2.176 6.597 420 HB3 LEU 49 HB1 LEU 49 5.945 1.856 8.266 421 HG LEU 49 HG LEU 49 5.646 -0.349 6.250 422 HD11 LEU 49 HD11 LEU 49 7.282 1.089 5.347 423 HD12 LEU 49 HD12 LEU 49 8.104 -0.293 6.067 424 HD13 LEU 49 HD13 LEU 49 8.086 1.263 6.903 425 HD21 LEU 49 HD21 LEU 49 5.579 -1.087 8.479 426 HD22 LEU 49 HD22 LEU 49 6.961 -0.101 8.936 427 HD23 LEU 49 HD23 LEU 49 7.173 -1.482 7.855 428 H ASP 50 HN ASP 50 1.977 2.183 6.424 429 HA ASP 50 HA ASP 50 1.630 4.456 8.212 430 HB2 ASP 50 HB2 ASP 50 2.172 4.718 5.251 431 HB3 ASP 50 HB1 ASP 50 1.453 6.003 6.220 432 HA PRO 51 HA PRO 51 -2.540 2.897 7.360 433 HB2 PRO 51 HB2 PRO 51 -3.207 5.014 9.298 434 HB3 PRO 51 HB1 PRO 51 -3.606 3.298 9.340 435 HG2 PRO 51 HG2 PRO 51 -1.784 4.320 10.999 436 HG3 PRO 51 HG1 PRO 51 -1.557 2.719 10.271 437 HD2 PRO 51 HD2 PRO 51 -0.322 5.331 9.508 438 HD3 PRO 51 HD1 PRO 51 0.412 3.720 9.619 439 H ARG 52 HN ARG 52 -1.459 6.267 7.506 440 HA ARG 52 HA ARG 52 -3.625 7.550 6.373 441 HB2 ARG 52 HB2 ARG 52 -0.665 8.040 6.154 442 HB3 ARG 52 HB1 ARG 52 -1.808 9.058 5.288 443 HG2 ARG 52 HG2 ARG 52 -1.247 10.127 7.344 444 HG3 ARG 52 HG1 ARG 52 -2.912 9.562 7.451 445 HD2 ARG 52 HD2 ARG 52 -2.198 7.631 8.742 446 HD3 ARG 52 HD1 ARG 52 -0.514 8.128 8.586 447 HE ARG 52 HE ARG 52 -1.822 10.257 9.742 448 HH11 ARG 52 HH11 ARG 52 -1.280 6.902 10.516 449 HH12 ARG 52 HH12 ARG 52 -1.321 7.157 12.228 450 HH21 ARG 52 HH21 ARG 52 -1.879 10.602 11.996 451 HH22 ARG 52 HH22 ARG 52 -1.664 9.261 13.069 452 H LEU 53 HN LEU 53 -1.007 5.785 4.777 453 HA LEU 53 HA LEU 53 -1.666 6.210 2.109 454 HB2 LEU 53 HB2 LEU 53 -0.379 3.988 3.636 455 HB3 LEU 53 HB1 LEU 53 -0.837 3.680 1.978 456 HG LEU 53 HG LEU 53 0.914 5.999 2.745 457 HD11 LEU 53 HD11 LEU 53 1.686 3.173 2.047 458 HD12 LEU 53 HD12 LEU 53 2.063 4.053 3.529 459 HD13 LEU 53 HD13 LEU 53 2.800 4.540 2.003 460 HD21 LEU 53 HD21 LEU 53 0.449 4.509 0.166 461 HD22 LEU 53 HD22 LEU 53 1.590 5.837 0.391 462 HD23 LEU 53 HD23 LEU 53 -0.143 6.125 0.558 463 H VAL 54 HN VAL 54 -2.777 3.785 4.390 464 HA VAL 54 HA VAL 54 -4.596 2.414 2.746 465 HB VAL 54 HB VAL 54 -4.459 2.761 5.743 466 HG11 VAL 54 HG11 VAL 54 -6.554 1.667 4.168 467 HG12 VAL 54 HG12 VAL 54 -6.434 1.782 5.921 468 HG13 VAL 54 HG13 VAL 54 -5.787 0.373 5.079 469 HG21 VAL 54 HG21 VAL 54 -3.590 0.532 3.911 470 HG22 VAL 54 HG22 VAL 54 -3.495 0.507 5.679 471 HG23 VAL 54 HG23 VAL 54 -2.531 1.666 4.760 472 H MET 55 HN MET 55 -5.223 4.826 5.273 473 HA MET 55 HA MET 55 -7.902 5.169 5.058 474 HB2 MET 55 HB2 MET 55 -6.037 7.513 5.279 475 HB3 MET 55 HB1 MET 55 -7.639 7.348 5.963 476 HG2 MET 55 HG2 MET 55 -5.125 6.027 6.829 477 HG3 MET 55 HG1 MET 55 -6.135 7.127 7.727 478 HE1 MET 55 HE1 MET 55 -8.826 6.086 6.744 479 HE2 MET 55 HE2 MET 55 -8.857 6.210 8.505 480 HE3 MET 55 HE3 MET 55 -9.388 4.723 7.713 481 H ALA 56 HN ALA 56 -5.613 7.335 3.440 482 HA ALA 56 HA ALA 56 -7.270 8.683 1.761 483 HB1 ALA 56 HB1 ALA 56 -4.498 7.698 1.143 484 HB2 ALA 56 HB2 ALA 56 -4.921 9.208 1.943 485 HB3 ALA 56 HB3 ALA 56 -5.341 8.958 0.248 486 H TYR 57 HN TYR 57 -5.937 5.439 1.225 487 HA TYR 57 HA TYR 57 -6.790 5.074 -1.407 488 HB2 TYR 57 HB2 TYR 57 -5.319 3.464 -0.300 489 HB3 TYR 57 HB1 TYR 57 -6.613 3.017 0.808 490 HD1 TYR 57 HD1 TYR 57 -5.584 2.960 -2.732 491 HD2 TYR 57 HD2 TYR 57 -8.226 1.414 0.205 492 HE1 TYR 57 HE1 TYR 57 -6.394 1.288 -4.355 493 HE2 TYR 57 HE2 TYR 57 -9.044 -0.264 -1.395 494 HH TYR 57 HH TYR 57 -9.183 -0.566 -3.834 495 H GLU 58 HN GLU 58 -8.432 4.147 1.606 496 HA GLU 58 HA GLU 58 -10.869 3.421 0.373 497 HB2 GLU 58 HB2 GLU 58 -10.597 4.313 3.195 498 HB3 GLU 58 HB1 GLU 58 -11.734 3.160 2.541 499 HG2 GLU 58 HG2 GLU 58 -9.998 1.552 2.215 500 HG3 GLU 58 HG1 GLU 58 -8.764 2.721 2.676 501 H GLU 59 HN GLU 59 -9.461 6.414 1.032 502 HA GLU 59 HA GLU 59 -11.872 7.911 1.444 503 HB2 GLU 59 HB2 GLU 59 -8.989 8.624 0.984 504 HB3 GLU 59 HB1 GLU 59 -10.233 9.865 0.871 505 HG2 GLU 59 HG2 GLU 59 -10.932 9.385 3.153 506 HG3 GLU 59 HG1 GLU 59 -9.709 8.120 3.267 507 H LYS 60 HN LYS 60 -9.622 7.440 -1.259 508 HA LYS 60 HA LYS 60 -10.969 9.047 -3.121 509 HB2 LYS 60 HB2 LYS 60 -9.409 6.545 -3.758 510 HB3 LYS 60 HB1 LYS 60 -9.675 7.932 -4.803 511 HG2 LYS 60 HG2 LYS 60 -7.954 9.032 -3.951 512 HG3 LYS 60 HG1 LYS 60 -8.404 8.638 -2.290 513 HD2 LYS 60 HD2 LYS 60 -6.403 7.533 -2.486 514 HD3 LYS 60 HD1 LYS 60 -7.532 6.261 -2.944 515 HE2 LYS 60 HE2 LYS 60 -7.170 6.882 -5.324 516 HE3 LYS 60 HE1 LYS 60 -5.928 8.015 -4.798 517 HZ1 LYS 60 HZ1 LYS 60 -4.699 6.162 -3.844 518 HZ2 LYS 60 HZ2 LYS 60 -4.959 5.924 -5.498 519 HZ3 LYS 60 HZ3 LYS 60 -5.887 5.076 -4.366 520 H GLU 61 HN GLU 61 -11.247 5.634 -2.280 521 HA GLU 61 HA GLU 61 -13.124 4.938 -4.259 522 HB2 GLU 61 HB2 GLU 61 -12.649 3.714 -1.543 523 HB3 GLU 61 HB1 GLU 61 -13.585 2.974 -2.835 524 HG2 GLU 61 HG2 GLU 61 -10.656 3.650 -2.940 525 HG3 GLU 61 HG1 GLU 61 -11.349 2.049 -2.711 526 H GLU 62 HN GLU 62 -13.589 5.833 -0.847 527 HA GLU 62 HA GLU 62 -16.338 5.574 -0.718 528 HB2 GLU 62 HB2 GLU 62 -16.193 6.577 1.305 529 HB3 GLU 62 HB1 GLU 62 -14.468 6.377 1.042 530 HG2 GLU 62 HG2 GLU 62 -14.474 8.683 0.048 531 HG3 GLU 62 HG1 GLU 62 -16.122 8.849 0.645 532 H ARG 63 HN ARG 63 -14.416 8.137 -2.111 533 HA ARG 63 HA ARG 63 -16.473 10.033 -2.461 534 HB2 ARG 63 HB2 ARG 63 -13.770 9.599 -3.630 535 HB3 ARG 63 HB1 ARG 63 -14.854 10.732 -4.424 536 HG2 ARG 63 HG2 ARG 63 -14.060 10.855 -1.522 537 HG3 ARG 63 HG1 ARG 63 -13.331 11.802 -2.816 538 HD2 ARG 63 HD2 ARG 63 -15.520 12.810 -3.295 539 HD3 ARG 63 HD1 ARG 63 -16.220 11.887 -1.965 540 HE ARG 63 HE ARG 63 -14.051 13.377 -0.994 541 HH11 ARG 63 HH11 ARG 63 -17.273 13.844 -2.237 542 HH12 ARG 63 HH12 ARG 63 -17.547 15.300 -1.340 543 HH21 ARG 63 HH21 ARG 63 -14.404 15.294 0.189 544 HH22 ARG 63 HH22 ARG 63 -15.915 16.125 0.037 545 H ASP 64 HN ASP 64 -15.012 7.791 -4.816 546 HA ASP 64 HA ASP 64 -17.034 8.323 -6.779 547 HB2 ASP 64 HB2 ASP 64 -14.672 7.703 -7.325 548 HB3 ASP 64 HB1 ASP 64 -15.018 6.088 -6.741 549 H ARG 65 HN ARG 65 -16.062 5.319 -5.165 550 HA ARG 65 HA ARG 65 -18.149 3.715 -5.873 551 HB2 ARG 65 HB2 ARG 65 -16.842 3.707 -3.156 552 HB3 ARG 65 HB1 ARG 65 -17.678 2.361 -3.919 553 HG2 ARG 65 HG2 ARG 65 -15.902 2.679 -5.796 554 HG3 ARG 65 HG1 ARG 65 -15.006 3.526 -4.534 555 HD2 ARG 65 HD2 ARG 65 -14.317 1.236 -4.545 556 HD3 ARG 65 HD1 ARG 65 -15.258 1.545 -3.088 557 HE ARG 65 HE ARG 65 -17.167 0.521 -4.412 558 HH11 ARG 65 HH11 ARG 65 -13.826 -0.353 -4.882 559 HH12 ARG 65 HH12 ARG 65 -14.190 -1.945 -5.457 560 HH21 ARG 65 HH21 ARG 65 -17.654 -1.573 -5.173 561 HH22 ARG 65 HH22 ARG 65 -16.366 -2.639 -5.623 562 H ALA 66 HN ALA 66 -18.049 5.990 -3.166 563 HA ALA 66 HA ALA 66 -19.633 6.696 -1.688 564 HB1 ALA 66 HB1 ALA 66 -20.190 7.782 -3.881 565 HB2 ALA 66 HB2 ALA 66 -21.505 7.709 -2.707 566 HB3 ALA 66 HB3 ALA 66 -21.468 6.581 -4.063 567 H SER 67 HN SER 67 -22.133 5.135 -3.570 568 HA SER 67 HA SER 67 -22.424 3.052 -1.524 569 HB2 SER 67 HB2 SER 67 -23.949 4.859 -0.883 570 HB3 SER 67 HB1 SER 67 -24.657 4.853 -2.499 571 HG SER 67 HG SER 67 -24.626 2.538 -0.882 572 H GLY 68 HN GLY 68 -24.328 4.147 -4.331 573 HA2 GLY 68 HA2 GLY 68 -25.014 3.041 -6.220 574 HA3 GLY 68 HA1 GLY 68 -23.495 2.164 -6.120 575 H TYR 69 HN TYR 69 -24.783 0.390 -7.011 576 HA TYR 69 HA TYR 69 -26.888 -0.794 -5.519 577 HB2 TYR 69 HB2 TYR 69 -26.523 -1.138 -7.960 578 HB3 TYR 69 HB1 TYR 69 -25.097 -2.097 -7.578 579 HD1 TYR 69 HD2 TYR 69 -28.768 -1.990 -7.471 580 HD2 TYR 69 HD1 TYR 69 -25.305 -4.341 -6.725 581 HE1 TYR 69 HE2 TYR 69 -30.177 -3.997 -7.284 582 HE2 TYR 69 HE1 TYR 69 -26.699 -6.352 -6.540 583 HH TYR 69 HH TYR 69 -29.038 -6.932 -6.028 584 H ARG 70 HN ARG 70 -26.888 -2.555 -4.150 585 HA ARG 70 HA ARG 70 -26.139 -3.719 -2.351 586 HB2 ARG 70 HB2 ARG 70 -25.183 -4.812 -4.657 587 HB3 ARG 70 HB1 ARG 70 -23.704 -4.612 -3.732 588 HG2 ARG 70 HG2 ARG 70 -24.688 -6.808 -3.432 589 HG3 ARG 70 HG1 ARG 70 -24.631 -5.918 -1.914 590 HD2 ARG 70 HD2 ARG 70 -27.021 -5.295 -2.301 591 HD3 ARG 70 HD1 ARG 70 -27.015 -6.370 -3.698 592 HE ARG 70 HE ARG 70 -26.144 -7.912 -1.609 593 HH11 ARG 70 HH11 ARG 70 -28.989 -6.021 -2.299 594 HH12 ARG 70 HH12 ARG 70 -30.037 -7.014 -1.342 595 HH21 ARG 70 HH21 ARG 70 -27.517 -9.226 -0.350 596 HH22 ARG 70 HH22 ARG 70 -29.201 -8.836 -0.235 597 H LYS 71 HN LYS 71 -23.502 -4.469 -1.628 598 HA LYS 71 HA LYS 71 -22.686 -2.022 -0.319 599 HB2 LYS 71 HB2 LYS 71 -22.794 -4.158 0.915 600 HB3 LYS 71 HB1 LYS 71 -21.540 -4.814 -0.125 601 HG2 LYS 71 HG2 LYS 71 -20.584 -4.145 1.976 602 HG3 LYS 71 HG1 LYS 71 -19.987 -3.088 0.697 603 HD2 LYS 71 HD2 LYS 71 -20.528 -1.747 2.619 604 HD3 LYS 71 HD1 LYS 71 -21.707 -1.418 1.349 605 HE2 LYS 71 HE2 LYS 71 -22.771 -1.633 3.549 606 HE3 LYS 71 HE1 LYS 71 -23.315 -2.884 2.431 607 HZ1 LYS 71 HZ1 LYS 71 -21.766 -4.427 3.479 608 HZ2 LYS 71 HZ2 LYS 71 -22.859 -3.805 4.609 609 HZ3 LYS 71 HZ3 LYS 71 -21.271 -3.224 4.562 610 H1 ALA 15 HT1 ALA 15 1.455 18.611 0.025 611 H2 ALA 15 HT2 ALA 15 0.338 19.695 0.685 612 H3 ALA 15 HT3 ALA 15 0.485 18.138 1.329 613 HA ALA 15 HA ALA 15 2.547 20.264 1.402 614 HB1 ALA 15 HB1 ALA 15 0.691 20.696 2.918 615 HB2 ALA 15 HB2 ALA 15 2.151 20.276 3.815 616 HB3 ALA 15 HB3 ALA 15 0.867 19.083 3.611 617 HA PRO 16 HA PRO 16 4.646 16.095 1.468 618 HB2 PRO 16 HB2 PRO 16 6.798 17.783 0.327 619 HB3 PRO 16 HB1 PRO 16 6.188 16.218 -0.217 620 HG2 PRO 16 HG2 PRO 16 5.625 18.456 -1.560 621 HG3 PRO 16 HG1 PRO 16 4.425 17.160 -1.387 622 HD2 PRO 16 HD2 PRO 16 4.626 19.768 0.068 623 HD3 PRO 16 HD1 PRO 16 3.186 18.919 -0.535 624 H ARG 17 HN ARG 17 5.770 15.438 3.183 625 HA ARG 17 HA ARG 17 7.029 15.426 5.074 626 HB2 ARG 17 HB2 ARG 17 8.740 16.346 3.436 627 HB3 ARG 17 HB1 ARG 17 8.347 17.942 4.057 628 HG2 ARG 17 HG2 ARG 17 8.910 16.965 6.363 629 HG3 ARG 17 HG1 ARG 17 9.675 15.655 5.462 630 HD2 ARG 17 HD2 ARG 17 10.325 18.591 5.222 631 HD3 ARG 17 HD1 ARG 17 11.290 17.385 6.073 632 HE ARG 17 HE ARG 17 10.808 16.818 3.280 633 HH11 ARG 17 HH11 ARG 17 12.918 18.300 5.625 634 HH12 ARG 17 HH12 ARG 17 14.305 18.267 4.589 635 HH21 ARG 17 HH21 ARG 17 12.630 16.773 1.909 636 HH22 ARG 17 HH22 ARG 17 14.141 17.400 2.477 637 H LYS 18 HN LYS 18 7.461 16.612 7.108 638 HA LYS 18 HA LYS 18 6.768 17.859 8.874 639 HB2 LYS 18 HB2 LYS 18 5.882 19.888 6.819 640 HB3 LYS 18 HB1 LYS 18 6.245 20.186 8.513 641 HG2 LYS 18 HG2 LYS 18 8.590 19.575 8.100 642 HG3 LYS 18 HG1 LYS 18 8.210 19.344 6.392 643 HD2 LYS 18 HD2 LYS 18 7.479 21.709 6.281 644 HD3 LYS 18 HD1 LYS 18 7.992 21.914 7.957 645 HE2 LYS 18 HE2 LYS 18 9.750 21.160 5.625 646 HE3 LYS 18 HE1 LYS 18 9.706 22.723 6.438 647 HZ1 LYS 18 HZ1 LYS 18 11.564 21.395 7.204 648 HZ2 LYS 18 HZ2 LYS 18 10.523 20.147 7.672 649 HZ3 LYS 18 HZ3 LYS 18 10.464 21.638 8.467 650 H GLN 19 HN GLN 19 4.774 19.119 9.754 651 HA GLN 19 HA GLN 19 2.598 19.059 10.386 652 HB2 GLN 19 HB2 GLN 19 2.034 18.213 7.541 653 HB3 GLN 19 HB1 GLN 19 0.888 18.915 8.674 654 HG2 GLN 19 HG2 GLN 19 3.349 20.342 7.701 655 HG3 GLN 19 HG1 GLN 19 1.770 20.474 6.931 656 HE21 GLN 19 HE21 GLN 19 1.643 22.673 7.342 657 HE22 GLN 19 HE22 GLN 19 1.351 23.303 8.924 658 H LEU 20 HN LEU 20 2.105 16.527 7.985 659 HA LEU 20 HA LEU 20 1.636 14.639 10.196 660 HB2 LEU 20 HB2 LEU 20 0.453 14.708 7.419 661 HB3 LEU 20 HB1 LEU 20 0.197 13.410 8.568 662 HG LEU 20 HG LEU 20 -0.738 15.252 10.124 663 HD11 LEU 20 HD11 LEU 20 -1.754 17.138 8.921 664 HD12 LEU 20 HD12 LEU 20 -0.913 16.639 7.454 665 HD13 LEU 20 HD13 LEU 20 0.008 17.175 8.859 666 HD21 LEU 20 HD21 LEU 20 -2.957 15.016 9.130 667 HD22 LEU 20 HD22 LEU 20 -2.083 13.484 9.118 668 HD23 LEU 20 HD23 LEU 20 -2.229 14.428 7.635 669 H ALA 21 HN ALA 21 4.087 15.363 8.421 670 HA ALA 21 HA ALA 21 5.908 14.288 7.583 671 HB1 ALA 21 HB1 ALA 21 4.724 11.896 8.990 672 HB2 ALA 21 HB2 ALA 21 5.818 13.082 9.703 673 HB3 ALA 21 HB3 ALA 21 6.380 12.035 8.400 674 H THR 22 HN THR 22 6.519 12.087 6.346 675 HA THR 22 HA THR 22 4.584 11.922 4.149 676 HB THR 22 HB THR 22 6.857 12.597 3.525 677 HG1 THR 22 HG1 THR 22 7.157 10.406 2.197 678 HG21 THR 22 HG21 THR 22 7.688 9.886 4.564 679 HG22 THR 22 HG22 THR 22 8.082 11.437 5.305 680 HG23 THR 22 HG23 THR 22 8.725 11.030 3.713 681 H LYS 23 HN LYS 23 3.842 9.966 3.351 682 HA LYS 23 HA LYS 23 3.929 7.765 5.255 683 HB2 LYS 23 HB2 LYS 23 2.276 8.124 2.749 684 HB3 LYS 23 HB1 LYS 23 2.112 6.803 3.898 685 HG2 LYS 23 HG2 LYS 23 0.412 8.210 4.541 686 HG3 LYS 23 HG1 LYS 23 1.713 8.692 5.629 687 HD2 LYS 23 HD2 LYS 23 0.705 10.683 4.786 688 HD3 LYS 23 HD1 LYS 23 2.276 10.516 4.003 689 HE2 LYS 23 HE2 LYS 23 0.604 11.185 2.382 690 HE3 LYS 23 HE1 LYS 23 1.170 9.553 2.030 691 HZ1 LYS 23 HZ1 LYS 23 -1.226 9.706 1.830 692 HZ2 LYS 23 HZ2 LYS 23 -1.358 10.245 3.428 693 HZ3 LYS 23 HZ3 LYS 23 -0.813 8.676 3.108 694 H ALA 24 HN ALA 24 4.374 5.589 4.620 695 HA ALA 24 HA ALA 24 5.499 4.991 2.063 696 HB1 ALA 24 HB1 ALA 24 7.391 5.161 4.405 697 HB2 ALA 24 HB2 ALA 24 7.381 6.219 2.994 698 HB3 ALA 24 HB3 ALA 24 7.779 4.510 2.813 699 H ALA 25 HN ALA 25 6.755 2.769 2.279 700 HA ALA 25 HA ALA 25 5.811 1.015 4.353 701 HB1 ALA 25 HB1 ALA 25 4.499 -0.458 2.943 702 HB2 ALA 25 HB2 ALA 25 4.762 0.598 1.555 703 HB3 ALA 25 HB3 ALA 25 3.810 1.166 2.927 704 H ARG 26 HN ARG 26 6.578 -1.253 3.969 705 HA ARG 26 HA ARG 26 9.182 -1.156 2.644 706 HB2 ARG 26 HB2 ARG 26 9.337 -3.489 3.868 707 HB3 ARG 26 HB1 ARG 26 9.597 -1.986 4.739 708 HG2 ARG 26 HG2 ARG 26 8.199 -3.527 6.001 709 HG3 ARG 26 HG1 ARG 26 7.318 -2.057 5.585 710 HD2 ARG 26 HD2 ARG 26 6.004 -4.153 5.301 711 HD3 ARG 26 HD1 ARG 26 6.134 -3.182 3.837 712 HE ARG 26 HE ARG 26 8.202 -5.042 3.792 713 HH11 ARG 26 HH11 ARG 26 4.717 -5.016 3.723 714 HH12 ARG 26 HH12 ARG 26 4.597 -6.468 2.786 715 HH21 ARG 26 HH21 ARG 26 8.050 -6.949 2.552 716 HH22 ARG 26 HH22 ARG 26 6.490 -7.565 2.121 717 H MLY 27 HN MLY 27 9.853 -3.502 1.847 718 HA MLY 27 HA MLY 27 7.684 -4.750 0.340 719 HB2 MLY 27 HB2 MLY 27 8.894 -2.863 -0.990 720 HB3 MLY 27 HB1 MLY 27 10.213 -4.021 -1.108 721 HG2 MLY 27 HG2 MLY 27 8.310 -5.615 -1.967 722 HG3 MLY 27 HG1 MLY 27 7.509 -4.088 -2.346 723 HD2 MLY 27 HD2 MLY 27 10.288 -4.838 -3.252 724 HD3 MLY 27 HD1 MLY 27 8.833 -5.012 -4.234 725 HE2 MLY 27 HE2 MLY 27 8.447 -2.591 -4.061 726 HE3 MLY 27 HE1 MLY 27 9.924 -2.432 -3.111 727 HH11 MLY 27 HH11 MLY 27 9.977 -0.773 -5.198 728 HH12 MLY 27 HH12 MLY 27 10.394 -1.521 -6.738 729 HH13 MLY 27 HH13 MLY 27 8.760 -1.684 -6.094 730 HH21 MLY 27 HH21 MLY 27 11.961 -3.697 -4.281 731 HH22 MLY 27 HH22 MLY 27 12.233 -2.697 -5.704 732 HH23 MLY 27 HH23 MLY 27 11.844 -1.941 -4.158 733 HZ MLY 27 HZ MLY 27 10.036 -3.696 -5.731 734 H SER 28 HN SER 28 9.620 -5.398 2.572 735 HA SER 28 HA SER 28 10.481 -7.971 1.482 736 HB2 SER 28 HB2 SER 28 12.282 -6.099 3.031 737 HB3 SER 28 HB1 SER 28 12.670 -7.776 2.650 738 HG SER 28 HG SER 28 12.468 -7.190 0.417 739 H ALA 29 HN ALA 29 8.539 -8.588 2.709 740 HA ALA 29 HA ALA 29 8.542 -8.334 5.557 741 HB1 ALA 29 HB1 ALA 29 6.459 -8.493 4.291 742 HB2 ALA 29 HB2 ALA 29 6.579 -9.777 5.494 743 HB3 ALA 29 HB3 ALA 29 6.883 -10.130 3.793 744 HA PRO 30 HA PRO 30 11.232 -11.813 6.328 745 HB2 PRO 30 HB2 PRO 30 10.884 -11.995 9.002 746 HB3 PRO 30 HB1 PRO 30 11.839 -10.709 8.255 747 HG2 PRO 30 HG2 PRO 30 9.016 -10.639 9.249 748 HG3 PRO 30 HG1 PRO 30 10.303 -9.436 9.452 749 HD2 PRO 30 HD2 PRO 30 8.340 -9.196 7.591 750 HD3 PRO 30 HD1 PRO 30 9.975 -8.547 7.356
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