NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15567 | 1yjt | 6482 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 -14.713 -12.824 -5.194 2 2H MET 1 H2 MET 1 -14.236 -14.313 -5.743 3 3H MET 1 H3 MET 1 -13.205 -13.055 -5.519 4 HA MET 1 HA MET 1 -13.452 -13.080 -7.830 5 1HB MET 1 2HB MET 1 -16.429 -13.434 -7.259 6 2HB MET 1 3HB MET 1 -15.761 -13.052 -8.852 7 1HG MET 1 2HG MET 1 -14.415 -15.126 -8.806 8 2HG MET 1 3HG MET 1 -15.147 -15.565 -7.251 9 1HE MET 1 1HE MET 1 -15.777 -17.921 -8.256 10 2HE MET 1 2HE MET 1 -16.707 -18.126 -9.759 11 3HE MET 1 3HE MET 1 -15.062 -17.450 -9.820 12 H GLY 2 H GLY 2 -13.720 -11.140 -9.068 13 1HA GLY 2 2HA GLY 2 -14.240 -8.880 -9.386 14 2HA GLY 2 1HA GLY 2 -14.970 -8.778 -7.776 15 H ASP 3 H ASP 3 -12.408 -7.585 -9.450 16 HA ASP 3 HA ASP 3 -10.259 -7.960 -7.499 17 1HB ASP 3 2HB ASP 3 -9.082 -6.432 -9.038 18 2HB ASP 3 3HB ASP 3 -9.841 -7.740 -9.948 19 H GLY 4 H GLY 4 -9.247 -5.537 -7.082 20 1HA GLY 4 2HA GLY 4 -11.123 -3.434 -6.636 21 2HA GLY 4 1HA GLY 4 -10.700 -4.241 -5.104 22 H VAL 5 H VAL 5 -9.991 -1.529 -5.796 23 HA VAL 5 HA VAL 5 -7.121 -1.761 -5.329 24 HB VAL 5 HB VAL 5 -6.438 -0.114 -6.846 25 1HG1 VAL 5 1HG1 VAL 5 -6.895 -2.325 -7.945 26 2HG1 VAL 5 2HG1 VAL 5 -8.469 -1.706 -8.479 27 3HG1 VAL 5 3HG1 VAL 5 -6.985 -0.950 -9.063 28 1HG2 VAL 5 1HG2 VAL 5 -7.899 1.174 -8.354 29 2HG2 VAL 5 2HG2 VAL 5 -9.331 0.511 -7.531 30 3HG2 VAL 5 3HG2 VAL 5 -8.185 1.561 -6.660 31 H LEU 6 H LEU 6 -6.434 -0.213 -3.767 32 HA LEU 6 HA LEU 6 -8.337 1.875 -3.008 33 1HB LEU 6 2HB LEU 6 -8.846 -0.123 -1.592 34 2HB LEU 6 3HB LEU 6 -7.120 -0.256 -1.205 35 HG LEU 6 HG LEU 6 -7.212 1.978 -0.148 36 1HD1 LEU 6 1HD1 LEU 6 -9.219 2.934 -1.235 37 2HD1 LEU 6 2HD1 LEU 6 -10.231 1.639 -0.569 38 3HD1 LEU 6 3HD1 LEU 6 -9.512 2.854 0.498 39 1HD2 LEU 6 1HD2 LEU 6 -8.370 1.187 1.910 40 2HD2 LEU 6 2HD2 LEU 6 -9.135 -0.105 0.969 41 3HD2 LEU 6 3HD2 LEU 6 -7.365 -0.078 1.192 42 H GLU 7 H GLU 7 -7.204 3.646 -2.298 43 HA GLU 7 HA GLU 7 -4.235 3.504 -2.320 44 1HB GLU 7 2HB GLU 7 -5.747 6.087 -2.528 45 2HB GLU 7 3HB GLU 7 -4.079 5.723 -2.904 46 1HG GLU 7 2HG GLU 7 -4.820 4.358 -4.859 47 2HG GLU 7 3HG GLU 7 -6.489 4.836 -4.565 48 H LEU 8 H LEU 8 -3.197 4.063 -0.515 49 HA LEU 8 HA LEU 8 -4.670 5.371 1.694 50 1HB LEU 8 2HB LEU 8 -2.883 4.018 3.122 51 2HB LEU 8 3HB LEU 8 -4.467 3.344 2.771 52 HG LEU 8 HG LEU 8 -2.235 2.794 0.840 53 1HD1 LEU 8 1HD1 LEU 8 -2.556 1.318 3.458 54 2HD1 LEU 8 2HD1 LEU 8 -1.535 0.822 2.091 55 3HD1 LEU 8 3HD1 LEU 8 -1.172 2.326 2.947 56 1HD2 LEU 8 1HD2 LEU 8 -4.578 1.924 0.364 57 2HD2 LEU 8 2HD2 LEU 8 -3.468 0.592 0.671 58 3HD2 LEU 8 3HD2 LEU 8 -4.573 1.122 1.941 59 H VAL 9 H VAL 9 -3.639 6.975 2.647 60 HA VAL 9 HA VAL 9 -1.304 8.096 1.250 61 HB VAL 9 HB VAL 9 -2.923 9.270 3.534 62 1HG1 VAL 9 1HG1 VAL 9 -1.007 10.559 1.524 63 2HG1 VAL 9 2HG1 VAL 9 -1.874 11.382 2.834 64 3HG1 VAL 9 3HG1 VAL 9 -0.595 10.215 3.210 65 1HG2 VAL 9 1HG2 VAL 9 -3.105 9.709 0.512 66 2HG2 VAL 9 2HG2 VAL 9 -4.338 8.931 1.519 67 3HG2 VAL 9 3HG2 VAL 9 -3.973 10.647 1.744 68 H VAL 10 H VAL 10 0.678 7.605 1.914 69 HA VAL 10 HA VAL 10 1.096 6.106 4.456 70 HB VAL 10 HB VAL 10 3.059 5.240 3.075 71 1HG1 VAL 10 1HG1 VAL 10 1.661 3.452 2.167 72 2HG1 VAL 10 2HG1 VAL 10 1.043 3.965 3.747 73 3HG1 VAL 10 3HG1 VAL 10 0.217 4.487 2.270 74 1HG2 VAL 10 1HG2 VAL 10 1.276 6.077 0.749 75 2HG2 VAL 10 2HG2 VAL 10 2.814 6.867 1.141 76 3HG2 VAL 10 3HG2 VAL 10 2.774 5.160 0.659 77 H ARG 11 H ARG 11 1.465 7.878 5.776 78 HA ARG 11 HA ARG 11 3.344 9.957 4.853 79 1HB ARG 11 2HB ARG 11 1.932 9.592 7.527 80 2HB ARG 11 3HB ARG 11 3.044 10.897 7.114 81 1HG ARG 11 2HG ARG 11 1.078 11.961 6.628 82 2HG ARG 11 3HG ARG 11 1.482 11.316 5.039 83 1HD ARG 11 2HD ARG 11 -0.881 10.952 5.510 84 2HD ARG 11 3HD ARG 11 -0.056 9.392 5.471 85 HE ARG 11 HE ARG 11 -0.381 10.781 8.073 86 1HH1 ARG 11 2HH2 ARG 11 -1.399 7.929 6.050 87 2HH1 ARG 11 1HH2 ARG 11 -2.428 7.390 7.368 88 1HH2 ARG 11 2HH1 ARG 11 -1.506 9.685 9.770 89 2HH2 ARG 11 1HH1 ARG 11 -2.008 8.046 9.416 90 H GLY 12 H GLY 12 5.440 9.764 5.018 91 1HA GLY 12 2HA GLY 12 7.319 9.353 6.656 92 2HA GLY 12 1HA GLY 12 6.662 7.721 6.826 93 H MET 13 H MET 13 5.851 7.542 3.871 94 HA MET 13 HA MET 13 8.510 6.576 3.101 95 1HB MET 13 2HB MET 13 7.345 4.940 1.926 96 2HB MET 13 3HB MET 13 6.216 5.304 3.210 97 1HG MET 13 2HG MET 13 4.885 5.226 1.375 98 2HG MET 13 3HG MET 13 5.137 6.939 1.504 99 1HE MET 13 1HE MET 13 5.139 6.909 -2.271 100 2HE MET 13 2HE MET 13 3.982 6.308 -1.058 101 3HE MET 13 3HE MET 13 4.859 7.830 -0.764 102 H THR 14 H THR 14 9.761 8.054 1.906 103 HA THR 14 HA THR 14 8.410 9.658 -0.145 104 HB THR 14 HB THR 14 7.964 10.624 2.246 105 HG1 THR 14 1HG THR 14 7.246 11.717 0.608 106 1HG2 THR 14 1HG2 THR 14 10.339 10.632 2.983 107 2HG2 THR 14 2HG2 THR 14 10.653 11.939 1.815 108 3HG2 THR 14 3HG2 THR 14 9.490 12.184 3.121 109 H CYS 15 H CYS 15 10.741 7.778 -0.133 110 HA CYS 15 HA CYS 15 11.981 9.394 -2.136 111 1HB CYS 15 2HB CYS 15 14.229 9.259 -1.582 112 2HB CYS 15 3HB CYS 15 13.476 9.777 -0.080 113 H ALA 16 H ALA 16 13.375 7.942 -3.505 114 HA ALA 16 HA ALA 16 11.946 5.798 -4.486 115 1HB ALA 16 1HB ALA 16 13.755 6.933 -5.700 116 2HB ALA 16 2HB ALA 16 14.961 6.218 -4.604 117 3HB ALA 16 3HB ALA 16 14.008 5.177 -5.683 118 H SER 17 H SER 17 14.394 5.748 -1.900 119 HA SER 17 HA SER 17 14.630 2.924 -1.765 120 1HB SER 17 2HB SER 17 16.188 4.563 -0.656 121 2HB SER 17 3HB SER 17 14.950 4.810 0.593 122 HG SER 17 HG SER 17 15.950 2.247 -0.146 123 H CYS 18 H CYS 18 12.381 5.243 -0.156 124 HA CYS 18 HA CYS 18 11.090 3.219 1.449 125 1HB CYS 18 2HB CYS 18 10.026 5.908 0.536 126 2HB CYS 18 3HB CYS 18 9.421 4.866 1.818 127 H VAL 19 H VAL 19 10.527 4.666 -1.775 128 HA VAL 19 HA VAL 19 8.036 3.517 -2.364 129 HB VAL 19 HB VAL 19 10.398 4.001 -4.237 130 1HG1 VAL 19 1HG1 VAL 19 7.478 3.633 -4.974 131 2HG1 VAL 19 2HG1 VAL 19 8.796 4.075 -6.064 132 3HG1 VAL 19 3HG1 VAL 19 8.784 2.479 -5.313 133 1HG2 VAL 19 1HG2 VAL 19 9.274 6.093 -4.771 134 2HG2 VAL 19 2HG2 VAL 19 7.981 5.719 -3.599 135 3HG2 VAL 19 3HG2 VAL 19 9.638 6.006 -3.045 136 H HIS 20 H HIS 20 11.322 2.226 -3.195 137 HA HIS 20 HA HIS 20 10.158 -0.201 -4.054 138 1HB HIS 20 2HB HIS 20 12.307 -0.950 -4.520 139 2HB HIS 20 3HB HIS 20 12.082 0.720 -5.030 140 HD1 HIS 20 1HD HIS 20 14.684 1.013 -5.267 141 HD2 HIS 20 2HD HIS 20 13.333 -0.021 -1.440 142 HE1 HIS 20 1HE HIS 20 16.706 1.162 -3.716 143 H LYS 21 H LYS 21 11.344 0.781 -0.819 144 HA LYS 21 HA LYS 21 11.343 -1.655 0.457 145 1HB LYS 21 2HB LYS 21 11.749 0.829 1.282 146 2HB LYS 21 3HB LYS 21 10.022 0.809 1.658 147 1HG LYS 21 2HG LYS 21 10.564 -1.354 2.953 148 2HG LYS 21 3HG LYS 21 12.267 -0.881 2.685 149 1HD LYS 21 2HD LYS 21 11.716 1.381 3.699 150 2HD LYS 21 3HD LYS 21 10.080 0.781 4.040 151 1HE LYS 21 2HE LYS 21 11.061 -0.978 5.531 152 2HE LYS 21 3HE LYS 21 12.666 -0.277 5.247 153 1HZ LYS 21 1HZ LYS 21 11.765 1.815 6.189 154 2HZ LYS 21 2HZ LYS 21 10.362 1.038 6.568 155 3HZ LYS 21 3HZ LYS 21 11.754 0.570 7.265 156 H ILE 22 H ILE 22 8.516 0.599 -0.045 157 HA ILE 22 HA ILE 22 6.668 -1.319 1.047 158 HB ILE 22 HB ILE 22 6.004 0.926 -0.902 159 1HG1 ILE 22 2HG1 ILE 22 6.208 0.813 2.134 160 2HG1 ILE 22 3HG1 ILE 22 7.094 1.857 1.002 161 1HG2 ILE 22 1HG2 ILE 22 3.700 0.599 0.151 162 2HG2 ILE 22 2HG2 ILE 22 4.243 -0.796 -0.760 163 3HG2 ILE 22 3HG2 ILE 22 4.362 -0.794 1.010 164 1HD1 ILE 22 1HD1 ILE 22 4.154 2.081 1.690 165 2HD1 ILE 22 2HD1 ILE 22 5.474 3.170 2.101 166 3HD1 ILE 22 3HD1 ILE 22 4.989 2.994 0.399 167 H GLU 23 H GLU 23 7.357 -0.407 -2.383 168 HA GLU 23 HA GLU 23 5.465 -2.116 -3.400 169 1HB GLU 23 2HB GLU 23 8.041 -1.139 -4.699 170 2HB GLU 23 3HB GLU 23 6.749 -1.971 -5.577 171 1HG GLU 23 2HG GLU 23 5.114 -0.267 -4.813 172 2HG GLU 23 3HG GLU 23 6.410 0.608 -3.993 173 H SER 24 H SER 24 8.949 -2.893 -2.952 174 HA SER 24 HA SER 24 8.767 -5.579 -3.883 175 1HB SER 24 2HB SER 24 10.727 -4.516 -1.814 176 2HB SER 24 3HB SER 24 10.926 -5.897 -2.910 177 HG SER 24 HG SER 24 10.872 -3.135 -3.493 178 H SER 25 H SER 25 8.396 -4.154 -0.577 179 HA SER 25 HA SER 25 8.290 -6.712 0.730 180 1HB SER 25 2HB SER 25 8.852 -4.556 1.822 181 2HB SER 25 3HB SER 25 7.154 -4.052 1.665 182 HG SER 25 HG SER 25 7.791 -5.086 3.706 183 H LEU 26 H LEU 26 5.820 -4.659 -0.792 184 HA LEU 26 HA LEU 26 3.578 -6.227 0.171 185 1HB LEU 26 2HB LEU 26 3.992 -4.036 -1.844 186 2HB LEU 26 3HB LEU 26 2.501 -4.962 -1.890 187 HG LEU 26 HG LEU 26 2.565 -2.776 -0.544 188 1HD1 LEU 26 1HD1 LEU 26 0.694 -4.423 -0.524 189 2HD1 LEU 26 2HD1 LEU 26 1.467 -5.227 0.861 190 3HD1 LEU 26 3HD1 LEU 26 0.889 -3.563 1.011 191 1HD2 LEU 26 1HD2 LEU 26 4.557 -3.194 0.897 192 2HD2 LEU 26 2HD2 LEU 26 3.096 -2.970 1.852 193 3HD2 LEU 26 3HD2 LEU 26 3.747 -4.584 1.634 194 H THR 27 H THR 27 5.411 -6.256 -2.980 195 HA THR 27 HA THR 27 3.680 -8.222 -4.126 196 HB THR 27 HB THR 27 5.681 -8.401 -5.780 197 HG1 THR 27 1HG THR 27 7.030 -6.538 -5.576 198 1HG2 THR 27 1HG2 THR 27 5.031 -6.146 -6.718 199 2HG2 THR 27 2HG2 THR 27 3.651 -7.176 -6.290 200 3HG2 THR 27 3HG2 THR 27 4.130 -5.854 -5.213 201 H LYS 28 H LYS 28 3.616 -9.590 -2.305 202 HA LYS 28 HA LYS 28 4.952 -12.076 -2.711 203 1HB LYS 28 2HB LYS 28 6.138 -12.296 -0.561 204 2HB LYS 28 3HB LYS 28 6.842 -11.076 -1.607 205 1HG LYS 28 2HG LYS 28 6.865 -9.782 0.213 206 2HG LYS 28 3HG LYS 28 5.174 -9.481 -0.159 207 1HD LYS 28 2HD LYS 28 4.571 -11.414 1.394 208 2HD LYS 28 3HD LYS 28 6.297 -11.545 1.789 209 1HE LYS 28 2HE LYS 28 6.282 -9.162 2.569 210 2HE LYS 28 3HE LYS 28 4.554 -9.055 2.188 211 1HZ LYS 28 1HZ LYS 28 4.145 -10.734 3.846 212 2HZ LYS 28 2HZ LYS 28 5.754 -10.836 4.200 213 3HZ LYS 28 3HZ LYS 28 4.931 -9.444 4.494 214 H HIS 29 H HIS 29 2.931 -9.984 -0.524 215 HA HIS 29 HA HIS 29 1.797 -12.322 0.749 216 1HB HIS 29 2HB HIS 29 0.364 -10.945 1.897 217 2HB HIS 29 3HB HIS 29 1.889 -10.069 1.808 218 HD1 HIS 29 1HD HIS 29 -1.683 -10.014 0.314 219 HD2 HIS 29 2HD HIS 29 1.737 -7.619 0.879 220 HE1 HIS 29 1HE HIS 29 -2.390 -7.599 -0.150 221 H ARG 30 H ARG 30 0.092 -13.558 0.074 222 HA ARG 30 HA ARG 30 -0.995 -13.351 -2.556 223 1HB ARG 30 2HB ARG 30 -1.898 -14.790 -0.031 224 2HB ARG 30 3HB ARG 30 -2.877 -14.792 -1.507 225 1HG ARG 30 2HG ARG 30 -1.042 -15.706 -2.819 226 2HG ARG 30 3HG ARG 30 0.025 -15.712 -1.404 227 1HD ARG 30 2HD ARG 30 -1.351 -17.428 -0.311 228 2HD ARG 30 3HD ARG 30 -2.656 -17.165 -1.460 229 HE ARG 30 HE ARG 30 -1.759 -18.588 -2.933 230 1HH1 ARG 30 2HH2 ARG 30 0.806 -17.640 -0.729 231 2HH1 ARG 30 1HH2 ARG 30 1.993 -18.749 -1.348 232 1HH2 ARG 30 2HH1 ARG 30 -0.229 -20.075 -3.807 233 2HH2 ARG 30 1HH1 ARG 30 1.372 -20.173 -3.156 234 H GLY 31 H GLY 31 -3.036 -12.635 -3.261 235 1HA GLY 31 2HA GLY 31 -5.009 -11.357 -3.049 236 2HA GLY 31 1HA GLY 31 -4.406 -10.570 -1.586 237 H ILE 32 H ILE 32 -1.650 -10.001 -2.663 238 HA ILE 32 HA ILE 32 -2.539 -7.585 -3.918 239 HB ILE 32 HB ILE 32 -0.449 -8.251 -2.303 240 1HG1 ILE 32 2HG1 ILE 32 -1.637 -6.141 -2.521 241 2HG1 ILE 32 3HG1 ILE 32 0.114 -5.931 -2.395 242 1HG2 ILE 32 1HG2 ILE 32 0.843 -7.682 -4.980 243 2HG2 ILE 32 2HG2 ILE 32 1.598 -7.546 -3.390 244 3HG2 ILE 32 3HG2 ILE 32 1.030 -9.130 -3.956 245 1HD1 ILE 32 1HD1 ILE 32 -1.498 -5.746 -4.970 246 2HD1 ILE 32 2HD1 ILE 32 -0.808 -4.395 -4.063 247 3HD1 ILE 32 3HD1 ILE 32 0.270 -5.560 -4.828 248 H LEU 33 H LEU 33 -3.160 -7.495 -5.947 249 HA LEU 33 HA LEU 33 -2.000 -9.195 -8.027 250 1HB LEU 33 2HB LEU 33 -3.899 -6.834 -8.228 251 2HB LEU 33 3HB LEU 33 -3.549 -8.029 -9.483 252 HG LEU 33 HG LEU 33 -4.962 -8.571 -6.824 253 1HD1 LEU 33 1HD1 LEU 33 -6.942 -8.900 -8.236 254 2HD1 LEU 33 2HD1 LEU 33 -6.297 -7.261 -8.424 255 3HD1 LEU 33 3HD1 LEU 33 -6.003 -8.482 -9.684 256 1HD2 LEU 33 1HD2 LEU 33 -5.456 -10.800 -7.838 257 2HD2 LEU 33 2HD2 LEU 33 -4.334 -10.429 -9.164 258 3HD2 LEU 33 3HD2 LEU 33 -3.740 -10.580 -7.491 259 H TYR 34 H TYR 34 -1.888 -5.679 -7.059 260 HA TYR 34 HA TYR 34 0.776 -5.476 -8.211 261 1HB TYR 34 2HB TYR 34 -0.544 -5.184 -10.243 262 2HB TYR 34 3HB TYR 34 -1.595 -4.031 -9.436 263 HD1 TYR 34 HD1 TYR 34 -0.812 -1.734 -8.920 264 HD2 TYR 34 HD2 TYR 34 1.727 -4.533 -10.982 265 HE1 TYR 34 HE1 TYR 34 0.505 0.151 -9.863 266 HE2 TYR 34 HE2 TYR 34 3.125 -2.659 -11.795 267 HH TYR 34 HH TYR 34 3.458 -0.358 -11.764 268 H CYS 35 H CYS 35 1.891 -4.030 -6.975 269 HA CYS 35 HA CYS 35 0.409 -2.033 -5.316 270 1HB CYS 35 2HB CYS 35 2.559 -1.706 -4.153 271 2HB CYS 35 3HB CYS 35 2.060 -3.381 -4.012 272 HG CYS 35 HG CYS 35 4.520 -3.608 -4.383 273 H SER 36 H SER 36 0.939 0.182 -5.674 274 HA SER 36 HA SER 36 3.577 0.483 -6.355 275 1HB SER 36 2HB SER 36 2.959 0.576 -8.732 276 2HB SER 36 3HB SER 36 1.818 1.897 -8.398 277 HG SER 36 HG SER 36 4.579 2.052 -7.699 278 H VAL 37 H VAL 37 4.414 2.519 -5.612 279 HA VAL 37 HA VAL 37 2.408 4.265 -4.257 280 HB VAL 37 HB VAL 37 3.670 4.248 -2.246 281 1HG1 VAL 37 1HG1 VAL 37 4.051 1.349 -3.089 282 2HG1 VAL 37 2HG1 VAL 37 3.670 2.023 -1.503 283 3HG1 VAL 37 3HG1 VAL 37 2.435 1.989 -2.778 284 1HG2 VAL 37 1HG2 VAL 37 5.820 3.021 -2.003 285 2HG2 VAL 37 2HG2 VAL 37 5.816 2.716 -3.747 286 3HG2 VAL 37 3HG2 VAL 37 5.959 4.386 -3.131 287 H ALA 38 H ALA 38 2.865 6.423 -4.117 288 HA ALA 38 HA ALA 38 5.246 7.384 -5.636 289 1HB ALA 38 1HB ALA 38 3.397 7.394 -7.245 290 2HB ALA 38 2HB ALA 38 2.417 8.374 -6.118 291 3HB ALA 38 3HB ALA 38 3.935 9.031 -6.784 292 H LEU 39 H LEU 39 6.198 9.022 -4.757 293 HA LEU 39 HA LEU 39 5.401 9.843 -2.093 294 1HB LEU 39 2HB LEU 39 7.521 10.904 -1.913 295 2HB LEU 39 3HB LEU 39 7.642 9.259 -2.530 296 HG LEU 39 HG LEU 39 7.707 10.528 -4.914 297 1HD1 LEU 39 1HD1 LEU 39 7.450 12.831 -3.932 298 2HD1 LEU 39 2HD1 LEU 39 8.894 12.550 -2.946 299 3HD1 LEU 39 3HD1 LEU 39 9.020 12.620 -4.715 300 1HD2 LEU 39 1HD2 LEU 39 9.426 9.009 -3.994 301 2HD2 LEU 39 2HD2 LEU 39 10.175 10.442 -4.726 302 3HD2 LEU 39 3HD2 LEU 39 10.024 10.323 -2.959 303 H ALA 40 H ALA 40 5.201 11.271 -5.282 304 HA ALA 40 HA ALA 40 5.081 13.971 -4.832 305 1HB ALA 40 1HB ALA 40 3.235 12.338 -6.629 306 2HB ALA 40 2HB ALA 40 3.548 14.082 -6.764 307 3HB ALA 40 3HB ALA 40 4.862 12.924 -7.044 308 H THR 41 H THR 41 2.392 11.666 -4.278 309 HA THR 41 HA THR 41 0.989 13.711 -2.593 310 HB THR 41 HB THR 41 -1.015 12.133 -3.228 311 HG1 THR 41 1HG THR 41 0.529 11.859 -5.574 312 1HG2 THR 41 1HG2 THR 41 -1.493 13.517 -5.230 313 2HG2 THR 41 2HG2 THR 41 -0.892 14.499 -3.882 314 3HG2 THR 41 3HG2 THR 41 0.187 14.099 -5.233 315 H ASN 42 H ASN 42 3.134 11.641 -2.059 316 HA ASN 42 HA ASN 42 3.572 9.716 -0.892 317 1HB ASN 42 2HB ASN 42 2.189 11.400 1.210 318 2HB ASN 42 3HB ASN 42 3.317 10.070 1.506 319 1HD2 ASN 42 1HD2 ASN 42 3.045 13.444 0.556 320 2HD2 ASN 42 2HD2 ASN 42 4.773 13.737 0.456 321 H LYS 43 H LYS 43 1.823 8.690 -2.395 322 HA LYS 43 HA LYS 43 -0.329 7.481 -0.699 323 1HB LYS 43 2HB LYS 43 -1.654 7.177 -2.674 324 2HB LYS 43 3HB LYS 43 -1.337 8.893 -2.381 325 1HG LYS 43 2HG LYS 43 0.177 9.038 -4.224 326 2HG LYS 43 3HG LYS 43 0.346 7.290 -4.359 327 1HD LYS 43 2HD LYS 43 -1.038 8.097 -6.165 328 2HD LYS 43 3HD LYS 43 -1.948 7.011 -5.108 329 1HE LYS 43 2HE LYS 43 -3.045 8.955 -4.028 330 2HE LYS 43 3HE LYS 43 -2.109 10.074 -5.041 331 1HZ LYS 43 1HZ LYS 43 -3.304 9.215 -6.977 332 2HZ LYS 43 2HZ LYS 43 -4.024 8.057 -6.053 333 3HZ LYS 43 3HZ LYS 43 -4.363 9.647 -5.885 334 H ALA 44 H ALA 44 -0.641 5.292 -0.857 335 HA ALA 44 HA ALA 44 1.109 3.723 -2.681 336 1HB ALA 44 1HB ALA 44 1.020 1.922 -0.951 337 2HB ALA 44 2HB ALA 44 1.865 3.354 -0.355 338 3HB ALA 44 3HB ALA 44 0.190 3.035 0.150 339 H HIS 45 H HIS 45 -0.198 2.573 -4.189 340 HA HIS 45 HA HIS 45 -2.970 2.089 -3.297 341 1HB HIS 45 2HB HIS 45 -3.792 2.224 -5.401 342 2HB HIS 45 3HB HIS 45 -2.730 3.630 -5.278 343 HD1 HIS 45 1HD HIS 45 -1.602 3.969 -7.541 344 HD2 HIS 45 2HD HIS 45 -2.493 -0.029 -6.622 345 HE1 HIS 45 1HE HIS 45 -1.132 2.615 -9.653 346 H ILE 46 H ILE 46 -3.503 0.079 -3.045 347 HA ILE 46 HA ILE 46 -1.555 -2.065 -3.846 348 HB ILE 46 HB ILE 46 -3.186 -1.723 -1.298 349 1HG1 ILE 46 2HG1 ILE 46 -0.971 -2.130 -0.200 350 2HG1 ILE 46 3HG1 ILE 46 -0.177 -2.057 -1.780 351 1HG2 ILE 46 1HG2 ILE 46 -2.605 -3.895 -0.644 352 2HG2 ILE 46 2HG2 ILE 46 -3.033 -4.147 -2.342 353 3HG2 ILE 46 3HG2 ILE 46 -1.336 -4.033 -1.859 354 1HD1 ILE 46 1HD1 ILE 46 -1.801 0.306 -0.802 355 2HD1 ILE 46 2HD1 ILE 46 -0.176 0.003 -0.159 356 3HD1 ILE 46 3HD1 ILE 46 -0.393 0.263 -1.890 357 H LYS 47 H LYS 47 -2.534 -3.095 -5.544 358 HA LYS 47 HA LYS 47 -5.480 -3.130 -5.743 359 1HB LYS 47 2HB LYS 47 -3.398 -4.316 -7.603 360 2HB LYS 47 3HB LYS 47 -5.128 -4.119 -7.861 361 1HG LYS 47 2HG LYS 47 -4.638 -1.547 -7.490 362 2HG LYS 47 3HG LYS 47 -2.955 -1.968 -7.752 363 1HD LYS 47 2HD LYS 47 -3.596 -3.057 -9.957 364 2HD LYS 47 3HD LYS 47 -5.277 -2.708 -9.622 365 1HE LYS 47 2HE LYS 47 -4.667 -1.110 -11.190 366 2HE LYS 47 3HE LYS 47 -4.750 -0.227 -9.660 367 1HZ LYS 47 1HZ LYS 47 -2.391 -0.198 -9.566 368 2HZ LYS 47 2HZ LYS 47 -2.236 -1.242 -10.842 369 3HZ LYS 47 3HZ LYS 47 -2.819 0.279 -11.063 370 H TYR 48 H TYR 48 -5.423 -4.240 -3.563 371 HA TYR 48 HA TYR 48 -4.686 -7.063 -3.668 372 1HB TYR 48 2HB TYR 48 -5.339 -7.249 -1.398 373 2HB TYR 48 3HB TYR 48 -4.211 -5.940 -1.624 374 HD1 TYR 48 HD1 TYR 48 -7.598 -6.901 -0.598 375 HD2 TYR 48 HD2 TYR 48 -4.989 -3.552 -1.324 376 HE1 TYR 48 HE1 TYR 48 -9.063 -5.450 0.771 377 HE2 TYR 48 HE2 TYR 48 -6.410 -2.129 0.080 378 HH TYR 48 HH TYR 48 -8.328 -2.003 1.330 379 H ASP 49 H ASP 49 -6.041 -8.793 -3.803 380 HA ASP 49 HA ASP 49 -8.684 -8.691 -4.798 381 1HB ASP 49 2HB ASP 49 -7.294 -10.826 -3.124 382 2HB ASP 49 3HB ASP 49 -8.858 -11.029 -3.916 383 HA PRO 50 HA PRO 50 -10.098 -7.025 -0.843 384 1HB PRO 50 2HB PRO 50 -12.498 -5.989 -1.542 385 2HB PRO 50 3HB PRO 50 -10.985 -5.403 -2.282 386 1HG PRO 50 2HG PRO 50 -12.849 -7.524 -3.415 387 2HG PRO 50 3HG PRO 50 -12.308 -6.023 -4.221 388 1HD PRO 50 2HD PRO 50 -11.017 -8.397 -4.592 389 2HD PRO 50 3HD PRO 50 -10.110 -6.861 -4.486 390 H GLU 51 H GLU 51 -10.132 -9.750 -0.816 391 HA GLU 51 HA GLU 51 -12.745 -10.501 0.422 392 1HB GLU 51 2HB GLU 51 -11.184 -12.234 -1.567 393 2HB GLU 51 3HB GLU 51 -12.727 -12.599 -0.778 394 1HG GLU 51 2HG GLU 51 -13.701 -10.580 -1.947 395 2HG GLU 51 3HG GLU 51 -12.174 -10.397 -2.823 396 H ILE 52 H ILE 52 -9.500 -11.847 -0.296 397 HA ILE 52 HA ILE 52 -9.454 -13.295 2.232 398 HB ILE 52 HB ILE 52 -7.235 -14.000 1.502 399 1HG1 ILE 52 2HG1 ILE 52 -7.739 -12.470 -1.088 400 2HG1 ILE 52 3HG1 ILE 52 -6.589 -11.995 0.174 401 1HG2 ILE 52 1HG2 ILE 52 -9.381 -15.186 0.911 402 2HG2 ILE 52 2HG2 ILE 52 -9.369 -14.351 -0.655 403 3HG2 ILE 52 3HG2 ILE 52 -8.082 -15.501 -0.236 404 1HD1 ILE 52 1HD1 ILE 52 -5.415 -13.172 -1.578 405 2HD1 ILE 52 2HD1 ILE 52 -5.399 -14.170 -0.115 406 3HD1 ILE 52 3HD1 ILE 52 -6.490 -14.560 -1.469 407 H ILE 53 H ILE 53 -8.309 -10.188 1.251 408 HA ILE 53 HA ILE 53 -7.189 -9.803 3.972 409 HB ILE 53 HB ILE 53 -5.398 -10.482 2.364 410 1HG1 ILE 53 2HG1 ILE 53 -5.092 -7.619 3.327 411 2HG1 ILE 53 3HG1 ILE 53 -5.089 -9.047 4.397 412 1HG2 ILE 53 1HG2 ILE 53 -4.658 -9.032 0.582 413 2HG2 ILE 53 2HG2 ILE 53 -6.374 -9.341 0.318 414 3HG2 ILE 53 3HG2 ILE 53 -5.850 -7.793 1.012 415 1HD1 ILE 53 1HD1 ILE 53 -3.126 -8.480 2.173 416 2HD1 ILE 53 2HD1 ILE 53 -2.811 -8.485 3.917 417 3HD1 ILE 53 3HD1 ILE 53 -3.220 -10.011 3.085 418 H GLY 54 H GLY 54 -7.460 -7.763 4.792 419 1HA GLY 54 2HA GLY 54 -9.350 -6.018 3.248 420 2HA GLY 54 1HA GLY 54 -9.359 -6.332 4.989 421 HA PRO 55 HA PRO 55 -6.972 -2.423 3.801 422 1HB PRO 55 2HB PRO 55 -8.535 -0.586 5.171 423 2HB PRO 55 3HB PRO 55 -8.810 -1.073 3.478 424 1HG PRO 55 2HG PRO 55 -10.184 -2.145 5.947 425 2HG PRO 55 3HG PRO 55 -10.929 -1.635 4.406 426 1HD PRO 55 2HD PRO 55 -10.438 -4.247 4.939 427 2HD PRO 55 3HD PRO 55 -10.185 -3.602 3.295 428 H ARG 56 H ARG 56 -8.525 -3.427 6.861 429 HA ARG 56 HA ARG 56 -6.822 -2.386 8.812 430 1HB ARG 56 2HB ARG 56 -8.819 -3.791 9.260 431 2HB ARG 56 3HB ARG 56 -8.007 -5.185 8.536 432 1HG ARG 56 2HG ARG 56 -6.186 -4.852 10.393 433 2HG ARG 56 3HG ARG 56 -7.351 -3.757 11.138 434 1HD ARG 56 2HD ARG 56 -7.554 -5.935 12.119 435 2HD ARG 56 3HD ARG 56 -9.005 -5.669 11.117 436 HE ARG 56 HE ARG 56 -6.928 -7.036 9.583 437 1HH1 ARG 56 2HH2 ARG 56 -9.180 -7.685 12.216 438 2HH1 ARG 56 1HH2 ARG 56 -9.315 -9.383 11.855 439 1HH2 ARG 56 2HH1 ARG 56 -7.072 -9.081 9.088 440 2HH2 ARG 56 1HH1 ARG 56 -8.057 -10.262 9.949 441 H ASP 57 H ASP 57 -6.400 -5.363 6.831 442 HA ASP 57 HA ASP 57 -4.044 -6.193 8.219 443 1HB ASP 57 2HB ASP 57 -5.021 -6.979 5.465 444 2HB ASP 57 3HB ASP 57 -3.961 -7.930 6.522 445 H ILE 58 H ILE 58 -4.674 -4.634 5.047 446 HA ILE 58 HA ILE 58 -1.970 -4.197 4.308 447 HB ILE 58 HB ILE 58 -4.528 -2.671 3.719 448 1HG1 ILE 58 2HG1 ILE 58 -4.516 -4.933 2.829 449 2HG1 ILE 58 3HG1 ILE 58 -4.351 -3.754 1.538 450 1HG2 ILE 58 1HG2 ILE 58 -1.745 -2.174 2.601 451 2HG2 ILE 58 2HG2 ILE 58 -3.243 -1.667 1.789 452 3HG2 ILE 58 3HG2 ILE 58 -2.845 -1.036 3.390 453 1HD1 ILE 58 1HD1 ILE 58 -2.819 -5.505 1.045 454 2HD1 ILE 58 2HD1 ILE 58 -1.803 -4.182 1.663 455 3HD1 ILE 58 3HD1 ILE 58 -2.198 -5.571 2.694 456 H ILE 59 H ILE 59 -4.089 -2.136 6.342 457 HA ILE 59 HA ILE 59 -2.225 -0.095 6.729 458 HB ILE 59 HB ILE 59 -4.537 -1.134 8.316 459 1HG1 ILE 59 2HG1 ILE 59 -4.076 1.741 7.460 460 2HG1 ILE 59 3HG1 ILE 59 -4.508 0.524 6.247 461 1HG2 ILE 59 1HG2 ILE 59 -4.284 0.722 9.978 462 2HG2 ILE 59 2HG2 ILE 59 -3.087 -0.551 10.152 463 3HG2 ILE 59 3HG2 ILE 59 -2.635 0.983 9.395 464 1HD1 ILE 59 1HD1 ILE 59 -6.513 -0.089 7.575 465 2HD1 ILE 59 2HD1 ILE 59 -6.123 1.193 8.739 466 3HD1 ILE 59 3HD1 ILE 59 -6.516 1.610 7.059 467 H HIS 60 H HIS 60 -2.680 -3.106 8.661 468 HA HIS 60 HA HIS 60 -0.561 -2.516 10.518 469 1HB HIS 60 2HB HIS 60 -1.673 -5.207 9.628 470 2HB HIS 60 3HB HIS 60 -0.669 -4.919 11.054 471 HD1 HIS 60 1HD HIS 60 -2.652 -2.090 11.501 472 HD2 HIS 60 2HD HIS 60 -3.453 -6.212 11.510 473 HE1 HIS 60 1HE HIS 60 -4.791 -2.411 12.860 474 H THR 61 H THR 61 -0.680 -4.237 7.453 475 HA THR 61 HA THR 61 1.961 -5.318 7.452 476 HB THR 61 HB THR 61 0.102 -4.522 5.190 477 HG1 THR 61 1HG THR 61 -0.726 -6.104 6.509 478 1HG2 THR 61 1HG2 THR 61 1.385 -6.182 3.819 479 2HG2 THR 61 2HG2 THR 61 2.390 -4.790 4.259 480 3HG2 THR 61 3HG2 THR 61 2.569 -6.331 5.131 481 H ILE 62 H ILE 62 0.681 -2.221 6.103 482 HA ILE 62 HA ILE 62 3.279 -1.332 5.216 483 HB ILE 62 HB ILE 62 0.659 0.073 5.686 484 1HG1 ILE 62 2HG1 ILE 62 0.816 -1.647 3.815 485 2HG1 ILE 62 3HG1 ILE 62 0.230 -0.035 3.419 486 1HG2 ILE 62 1HG2 ILE 62 1.697 1.908 4.250 487 2HG2 ILE 62 2HG2 ILE 62 2.287 1.811 5.910 488 3HG2 ILE 62 3HG2 ILE 62 3.273 1.169 4.582 489 1HD1 ILE 62 1HD1 ILE 62 3.094 -0.934 2.961 490 2HD1 ILE 62 2HD1 ILE 62 1.802 -0.969 1.736 491 3HD1 ILE 62 3HD1 ILE 62 2.342 0.576 2.398 492 H GLU 63 H GLU 63 1.327 -0.680 8.191 493 HA GLU 63 HA GLU 63 3.074 1.125 9.395 494 1HB GLU 63 2HB GLU 63 0.804 -0.453 10.255 495 2HB GLU 63 3HB GLU 63 2.081 -0.685 11.438 496 1HG GLU 63 2HG GLU 63 1.127 2.034 10.448 497 2HG GLU 63 3HG GLU 63 0.611 1.255 11.949 498 H SER 64 H SER 64 3.238 -2.436 9.389 499 HA SER 64 HA SER 64 5.479 -2.761 11.041 500 1HB SER 64 2HB SER 64 4.866 -4.387 8.545 501 2HB SER 64 3HB SER 64 5.849 -4.876 9.929 502 HG SER 64 HG SER 64 3.067 -4.232 10.026 503 H LEU 65 H LEU 65 5.437 -1.307 7.838 504 HA LEU 65 HA LEU 65 8.346 -1.649 7.450 505 1HB LEU 65 2HB LEU 65 6.440 -0.034 5.751 506 2HB LEU 65 3HB LEU 65 8.028 -0.671 5.322 507 HG LEU 65 HG LEU 65 5.468 -2.255 5.785 508 1HD1 LEU 65 1HD1 LEU 65 7.167 -1.842 3.302 509 2HD1 LEU 65 2HD1 LEU 65 5.680 -2.814 3.412 510 3HD1 LEU 65 3HD1 LEU 65 5.606 -1.058 3.642 511 1HD2 LEU 65 1HD2 LEU 65 8.224 -3.339 5.061 512 2HD2 LEU 65 2HD2 LEU 65 7.401 -3.588 6.617 513 3HD2 LEU 65 3HD2 LEU 65 6.697 -4.259 5.153 514 H GLY 66 H GLY 66 6.309 0.482 9.156 515 1HA GLY 66 2HA GLY 66 6.980 2.166 10.523 516 2HA GLY 66 1HA GLY 66 8.547 2.263 9.710 517 H PHE 67 H PHE 67 5.218 2.541 8.333 518 HA PHE 67 HA PHE 67 5.511 5.443 7.926 519 1HB PHE 67 2HB PHE 67 4.571 3.647 5.683 520 2HB PHE 67 3HB PHE 67 5.016 5.342 5.606 521 HD1 PHE 67 HD1 PHE 67 5.980 2.245 4.467 522 HD2 PHE 67 HD2 PHE 67 7.689 5.647 6.489 523 HE1 PHE 67 HE1 PHE 67 8.116 1.889 3.276 524 HE2 PHE 67 HE2 PHE 67 9.826 5.281 5.298 525 HZ PHE 67 HZ PHE 67 10.047 3.408 3.691 526 H GLU 68 H GLU 68 3.350 6.392 8.045 527 HA GLU 68 HA GLU 68 1.419 4.557 9.226 528 1HB GLU 68 2HB GLU 68 2.240 7.049 9.904 529 2HB GLU 68 3HB GLU 68 0.776 7.450 8.982 530 1HG GLU 68 2HG GLU 68 0.992 5.476 11.260 531 2HG GLU 68 3HG GLU 68 0.376 7.130 11.404 532 HA PRO 69 HA PRO 69 -0.827 4.911 5.225 533 1HB PRO 69 2HB PRO 69 -2.140 2.574 5.280 534 2HB PRO 69 3HB PRO 69 -0.357 2.609 5.090 535 1HG PRO 69 2HG PRO 69 -1.954 2.054 7.573 536 2HG PRO 69 3HG PRO 69 -0.511 1.210 6.980 537 1HD PRO 69 2HD PRO 69 -0.559 3.252 8.903 538 2HD PRO 69 3HD PRO 69 0.856 2.741 7.950 539 H SER 70 H SER 70 -2.869 5.891 4.871 540 HA SER 70 HA SER 70 -5.089 4.934 6.563 541 1HB SER 70 2HB SER 70 -4.650 7.919 6.226 542 2HB SER 70 3HB SER 70 -5.907 7.093 7.166 543 HG SER 70 HG SER 70 -3.833 6.084 8.220 544 H LEU 71 H LEU 71 -6.751 4.441 5.305 545 HA LEU 71 HA LEU 71 -6.522 4.531 2.518 546 1HB LEU 71 2HB LEU 71 -8.615 3.494 2.445 547 2HB LEU 71 3HB LEU 71 -7.667 2.781 3.748 548 HG LEU 71 HG LEU 71 -9.950 4.782 4.095 549 1HD1 LEU 71 1HD1 LEU 71 -10.685 2.605 3.188 550 2HD1 LEU 71 2HD1 LEU 71 -9.864 1.769 4.524 551 3HD1 LEU 71 3HD1 LEU 71 -11.248 2.834 4.851 552 1HD2 LEU 71 1HD2 LEU 71 -8.554 4.974 6.053 553 2HD2 LEU 71 2HD2 LEU 71 -9.930 3.966 6.481 554 3HD2 LEU 71 3HD2 LEU 71 -8.363 3.200 6.158 555 H VAL 72 H VAL 72 -7.301 5.835 0.947 556 HA VAL 72 HA VAL 72 -9.343 7.879 1.584 557 HB VAL 72 HB VAL 72 -6.693 8.591 0.263 558 1HG1 VAL 72 1HG1 VAL 72 -7.637 10.910 0.314 559 2HG1 VAL 72 2HG1 VAL 72 -8.567 9.845 -0.748 560 3HG1 VAL 72 3HG1 VAL 72 -9.187 10.252 0.865 561 1HG2 VAL 72 1HG2 VAL 72 -6.425 8.465 2.708 562 2HG2 VAL 72 2HG2 VAL 72 -6.469 10.155 2.209 563 3HG2 VAL 72 3HG2 VAL 72 -7.904 9.420 2.944 564 H LYS 73 H LYS 73 -7.340 6.441 -1.055 565 HA LYS 73 HA LYS 73 -7.761 6.242 -3.303 566 1HB LYS 73 2HB LYS 73 -9.188 4.546 -2.776 567 2HB LYS 73 3HB LYS 73 -10.493 5.571 -2.212 568 1HG LYS 73 2HG LYS 73 -9.631 5.890 -5.073 569 2HG LYS 73 3HG LYS 73 -10.380 4.362 -4.654 570 1HD LYS 73 2HD LYS 73 -12.447 5.192 -4.228 571 2HD LYS 73 3HD LYS 73 -11.871 6.706 -3.559 572 1HE LYS 73 2HE LYS 73 -12.028 6.034 -6.529 573 2HE LYS 73 3HE LYS 73 -13.086 7.129 -5.618 574 1HZ LYS 73 1HZ LYS 73 -10.978 8.461 -5.153 575 2HZ LYS 73 2HZ LYS 73 -10.232 7.483 -6.226 576 3HZ LYS 73 3HZ LYS 73 -11.365 8.396 -6.780 577 H ILE 74 H ILE 74 -7.001 8.299 -3.848 578 HA ILE 74 HA ILE 74 -8.792 10.605 -3.479 579 HB ILE 74 HB ILE 74 -5.967 10.361 -4.535 580 1HG1 ILE 74 2HG1 ILE 74 -7.061 11.482 -1.933 581 2HG1 ILE 74 3HG1 ILE 74 -6.295 9.895 -2.118 582 1HG2 ILE 74 1HG2 ILE 74 -7.186 12.344 -5.555 583 2HG2 ILE 74 2HG2 ILE 74 -7.594 12.884 -3.918 584 3HG2 ILE 74 3HG2 ILE 74 -5.904 12.836 -4.468 585 1HD1 ILE 74 1HD1 ILE 74 -4.206 11.040 -2.913 586 2HD1 ILE 74 2HD1 ILE 74 -4.951 12.595 -2.467 587 3HD1 ILE 74 3HD1 ILE 74 -4.657 11.371 -1.228 588 H GLU 75 H GLU 75 -6.876 10.071 -6.488 589 HA GLU 75 HA GLU 75 -8.898 10.686 -8.306 590 1HB GLU 75 2HB GLU 75 -6.717 8.574 -8.645 591 2HB GLU 75 3HB GLU 75 -7.650 9.357 -9.922 592 1HG GLU 75 2HG GLU 75 -5.716 10.603 -10.027 593 2HG GLU 75 3HG GLU 75 -6.651 11.604 -8.906 Start of MODEL 2 1 1H MET 1 H1 MET 1 -13.680 -7.749 -11.020 2 2H MET 1 H2 MET 1 -14.852 -7.103 -10.028 3 3H MET 1 H3 MET 1 -13.294 -7.375 -9.483 4 HA MET 1 HA MET 1 -14.836 -9.057 -8.681 5 1HB MET 1 2HB MET 1 -16.239 -9.105 -10.728 6 2HB MET 1 3HB MET 1 -14.896 -9.811 -11.643 7 1HG MET 1 2HG MET 1 -14.909 -11.761 -10.064 8 2HG MET 1 3HG MET 1 -16.324 -11.071 -9.260 9 1HE MET 1 1HE MET 1 -18.711 -10.854 -10.432 10 2HE MET 1 2HE MET 1 -18.046 -10.011 -11.859 11 3HE MET 1 3HE MET 1 -19.058 -11.453 -12.070 12 H GLY 2 H GLY 2 -13.067 -9.735 -7.563 13 1HA GLY 2 2HA GLY 2 -10.796 -9.974 -7.176 14 2HA GLY 2 1HA GLY 2 -10.480 -10.268 -8.899 15 H ASP 3 H ASP 3 -8.935 -8.432 -7.714 16 HA ASP 3 HA ASP 3 -8.175 -6.339 -7.659 17 1HB ASP 3 2HB ASP 3 -8.861 -6.378 -10.139 18 2HB ASP 3 3HB ASP 3 -10.284 -5.449 -9.665 19 H GLY 4 H GLY 4 -8.802 -4.016 -7.224 20 1HA GLY 4 2HA GLY 4 -10.971 -2.964 -5.880 21 2HA GLY 4 1HA GLY 4 -10.244 -4.095 -4.711 22 H VAL 5 H VAL 5 -9.629 -1.253 -6.754 23 HA VAL 5 HA VAL 5 -6.974 -0.851 -5.637 24 HB VAL 5 HB VAL 5 -7.359 -0.328 -7.945 25 1HG1 VAL 5 1HG1 VAL 5 -9.681 0.577 -7.852 26 2HG1 VAL 5 2HG1 VAL 5 -9.061 2.030 -7.036 27 3HG1 VAL 5 3HG1 VAL 5 -8.540 1.650 -8.682 28 1HG2 VAL 5 1HG2 VAL 5 -5.570 0.785 -6.591 29 2HG2 VAL 5 2HG2 VAL 5 -6.139 1.793 -7.938 30 3HG2 VAL 5 3HG2 VAL 5 -6.665 2.131 -6.283 31 H LEU 6 H LEU 6 -6.528 0.129 -3.763 32 HA LEU 6 HA LEU 6 -8.367 2.272 -2.790 33 1HB LEU 6 2HB LEU 6 -8.581 0.372 -1.298 34 2HB LEU 6 3HB LEU 6 -6.813 0.170 -1.287 35 HG LEU 6 HG LEU 6 -6.527 2.269 -0.088 36 1HD1 LEU 6 1HD1 LEU 6 -8.519 3.541 -0.769 37 2HD1 LEU 6 2HD1 LEU 6 -9.581 2.344 0.005 38 3HD1 LEU 6 3HD1 LEU 6 -8.508 3.366 0.985 39 1HD2 LEU 6 1HD2 LEU 6 -7.387 1.491 2.081 40 2HD2 LEU 6 2HD2 LEU 6 -8.487 0.367 1.255 41 3HD2 LEU 6 3HD2 LEU 6 -6.726 0.143 1.142 42 H GLU 7 H GLU 7 -7.322 4.134 -2.432 43 HA GLU 7 HA GLU 7 -4.384 4.284 -2.787 44 1HB GLU 7 2HB GLU 7 -6.268 6.629 -2.971 45 2HB GLU 7 3HB GLU 7 -4.591 6.468 -3.488 46 1HG GLU 7 2HG GLU 7 -5.851 6.280 -5.525 47 2HG GLU 7 3HG GLU 7 -5.405 4.625 -5.112 48 H LEU 8 H LEU 8 -3.388 4.188 -0.906 49 HA LEU 8 HA LEU 8 -4.546 5.550 1.488 50 1HB LEU 8 2HB LEU 8 -3.001 3.995 2.769 51 2HB LEU 8 3HB LEU 8 -4.465 3.286 2.121 52 HG LEU 8 HG LEU 8 -1.968 3.131 0.452 53 1HD1 LEU 8 1HD1 LEU 8 -1.349 1.036 1.585 54 2HD1 LEU 8 2HD1 LEU 8 -1.217 2.437 2.663 55 3HD1 LEU 8 3HD1 LEU 8 -2.600 1.330 2.815 56 1HD2 LEU 8 1HD2 LEU 8 -4.243 1.145 0.952 57 2HD2 LEU 8 2HD2 LEU 8 -4.165 2.228 -0.445 58 3HD2 LEU 8 3HD2 LEU 8 -2.943 0.983 -0.243 59 H VAL 9 H VAL 9 -3.445 7.240 2.216 60 HA VAL 9 HA VAL 9 -1.036 8.138 0.805 61 HB VAL 9 HB VAL 9 -2.644 9.463 3.004 62 1HG1 VAL 9 1HG1 VAL 9 -0.520 10.572 1.111 63 2HG1 VAL 9 2HG1 VAL 9 -1.442 11.494 2.315 64 3HG1 VAL 9 3HG1 VAL 9 -0.283 10.267 2.843 65 1HG2 VAL 9 1HG2 VAL 9 -3.506 10.870 1.149 66 2HG2 VAL 9 2HG2 VAL 9 -2.660 9.839 -0.022 67 3HG2 VAL 9 3HG2 VAL 9 -3.990 9.181 0.953 68 H VAL 10 H VAL 10 0.608 6.811 1.401 69 HA VAL 10 HA VAL 10 1.056 5.860 4.128 70 HB VAL 10 HB VAL 10 3.001 4.755 3.038 71 1HG1 VAL 10 1HG1 VAL 10 0.809 3.623 3.212 72 2HG1 VAL 10 2HG1 VAL 10 0.332 4.278 1.637 73 3HG1 VAL 10 3HG1 VAL 10 1.685 3.141 1.746 74 1HG2 VAL 10 1HG2 VAL 10 3.260 4.714 0.640 75 2HG2 VAL 10 2HG2 VAL 10 1.844 5.717 0.402 76 3HG2 VAL 10 3HG2 VAL 10 3.290 6.414 1.134 77 H ARG 11 H ARG 11 1.007 8.226 4.720 78 HA ARG 11 HA ARG 11 3.273 9.816 3.918 79 1HB ARG 11 2HB ARG 11 2.514 11.459 5.582 80 2HB ARG 11 3HB ARG 11 1.244 10.903 4.489 81 1HG ARG 11 2HG ARG 11 0.530 9.274 6.340 82 2HG ARG 11 3HG ARG 11 1.643 10.130 7.410 83 1HD ARG 11 2HD ARG 11 0.323 12.184 7.196 84 2HD ARG 11 3HD ARG 11 -0.550 11.527 5.810 85 HE ARG 11 HE ARG 11 -1.854 10.148 7.108 86 1HH1 ARG 11 2HH2 ARG 11 0.561 11.629 9.219 87 2HH1 ARG 11 1HH2 ARG 11 0.245 10.524 10.519 88 1HH2 ARG 11 2HH1 ARG 11 -2.402 8.922 8.755 89 2HH2 ARG 11 1HH1 ARG 11 -1.639 9.066 10.341 90 H GLY 12 H GLY 12 5.216 10.028 4.759 91 1HA GLY 12 2HA GLY 12 6.590 9.694 6.961 92 2HA GLY 12 1HA GLY 12 6.076 8.013 6.743 93 H MET 13 H MET 13 6.150 7.711 3.918 94 HA MET 13 HA MET 13 9.025 7.468 3.593 95 1HB MET 13 2HB MET 13 8.530 6.291 1.602 96 2HB MET 13 3HB MET 13 7.325 5.775 2.792 97 1HG MET 13 2HG MET 13 5.720 7.393 1.704 98 2HG MET 13 3HG MET 13 6.976 7.771 0.514 99 1HE MET 13 1HE MET 13 4.475 7.363 -0.458 100 2HE MET 13 2HE MET 13 5.803 7.248 -1.632 101 3HE MET 13 3HE MET 13 4.466 6.078 -1.678 102 H THR 14 H THR 14 10.344 8.543 2.034 103 HA THR 14 HA THR 14 9.122 10.553 0.270 104 HB THR 14 HB THR 14 9.365 11.761 2.398 105 HG1 THR 14 1HG THR 14 11.152 12.466 0.336 106 1HG2 THR 14 1HG2 THR 14 11.255 10.526 3.409 107 2HG2 THR 14 2HG2 THR 14 12.352 11.165 2.167 108 3HG2 THR 14 3HG2 THR 14 11.581 12.264 3.324 109 H CYS 15 H CYS 15 10.827 7.963 0.062 110 HA CYS 15 HA CYS 15 12.686 8.992 -1.931 111 1HB CYS 15 2HB CYS 15 14.514 7.541 -0.595 112 2HB CYS 15 3HB CYS 15 14.277 9.272 -0.390 113 H ALA 16 H ALA 16 13.325 7.457 -3.374 114 HA ALA 16 HA ALA 16 11.599 5.425 -4.077 115 1HB ALA 16 1HB ALA 16 13.392 4.637 -5.568 116 2HB ALA 16 2HB ALA 16 13.261 6.407 -5.584 117 3HB ALA 16 3HB ALA 16 14.576 5.621 -4.680 118 H SER 17 H SER 17 14.551 5.211 -2.102 119 HA SER 17 HA SER 17 14.915 2.595 -1.516 120 1HB SER 17 2HB SER 17 14.817 4.830 0.543 121 2HB SER 17 3HB SER 17 15.904 3.427 0.494 122 HG SER 17 HG SER 17 16.818 4.325 -1.408 123 H CYS 18 H CYS 18 12.391 4.763 -0.119 124 HA CYS 18 HA CYS 18 11.309 2.589 1.463 125 1HB CYS 18 2HB CYS 18 10.533 5.455 1.221 126 2HB CYS 18 3HB CYS 18 9.582 4.255 2.105 127 H VAL 19 H VAL 19 10.485 4.274 -1.527 128 HA VAL 19 HA VAL 19 7.842 3.412 -1.864 129 HB VAL 19 HB VAL 19 10.036 3.769 -3.962 130 1HG1 VAL 19 1HG1 VAL 19 8.269 4.145 -5.587 131 2HG1 VAL 19 2HG1 VAL 19 8.131 2.510 -4.929 132 3HG1 VAL 19 3HG1 VAL 19 7.048 3.796 -4.360 133 1HG2 VAL 19 1HG2 VAL 19 7.894 5.670 -2.918 134 2HG2 VAL 19 2HG2 VAL 19 9.631 5.780 -2.588 135 3HG2 VAL 19 3HG2 VAL 19 9.041 6.012 -4.237 136 H HIS 20 H HIS 20 10.860 1.837 -3.052 137 HA HIS 20 HA HIS 20 9.407 -0.460 -3.936 138 1HB HIS 20 2HB HIS 20 11.556 -1.355 -4.488 139 2HB HIS 20 3HB HIS 20 11.321 0.306 -5.041 140 HD1 HIS 20 1HD HIS 20 13.824 0.855 -5.325 141 HD2 HIS 20 2HD HIS 20 12.778 -0.600 -1.522 142 HE1 HIS 20 1HE HIS 20 15.928 0.986 -3.885 143 H LYS 21 H LYS 21 10.681 0.410 -0.789 144 HA LYS 21 HA LYS 21 10.841 -2.181 0.386 145 1HB LYS 21 2HB LYS 21 11.220 0.444 1.190 146 2HB LYS 21 3HB LYS 21 9.735 0.018 2.057 147 1HG LYS 21 2HG LYS 21 11.093 -2.038 2.867 148 2HG LYS 21 3HG LYS 21 12.495 -1.190 2.194 149 1HD LYS 21 2HD LYS 21 10.721 -0.390 4.539 150 2HD LYS 21 3HD LYS 21 12.484 -0.594 4.509 151 1HE LYS 21 2HE LYS 21 12.574 1.426 2.927 152 2HE LYS 21 3HE LYS 21 10.818 1.598 3.217 153 1HZ LYS 21 1HZ LYS 21 11.984 3.112 4.464 154 2HZ LYS 21 2HZ LYS 21 11.250 2.051 5.494 155 3HZ LYS 21 3HZ LYS 21 12.883 1.963 5.240 156 H ILE 22 H ILE 22 8.241 0.316 0.149 157 HA ILE 22 HA ILE 22 6.192 -1.257 1.306 158 HB ILE 22 HB ILE 22 5.816 0.813 -0.863 159 1HG1 ILE 22 2HG1 ILE 22 6.672 1.117 1.945 160 2HG1 ILE 22 3HG1 ILE 22 6.948 2.111 0.492 161 1HG2 ILE 22 1HG2 ILE 22 3.577 1.095 0.141 162 2HG2 ILE 22 2HG2 ILE 22 3.813 -0.576 -0.332 163 3HG2 ILE 22 3HG2 ILE 22 3.972 -0.120 1.377 164 1HD1 ILE 22 1HD1 ILE 22 4.439 2.123 2.194 165 2HD1 ILE 22 2HD1 ILE 22 5.689 3.376 2.095 166 3HD1 ILE 22 3HD1 ILE 22 4.690 3.022 0.673 167 H GLU 23 H GLU 23 6.873 -0.764 -2.235 168 HA GLU 23 HA GLU 23 4.876 -2.531 -3.070 169 1HB GLU 23 2HB GLU 23 7.514 -1.916 -4.483 170 2HB GLU 23 3HB GLU 23 6.108 -2.703 -5.216 171 1HG GLU 23 2HG GLU 23 4.713 -0.727 -4.542 172 2HG GLU 23 3HG GLU 23 6.202 0.103 -4.044 173 H SER 24 H SER 24 8.335 -3.331 -2.646 174 HA SER 24 HA SER 24 8.209 -6.070 -3.267 175 1HB SER 24 2HB SER 24 10.271 -4.713 -3.038 176 2HB SER 24 3HB SER 24 10.040 -4.665 -1.277 177 HG SER 24 HG SER 24 11.468 -6.346 -2.010 178 H SER 25 H SER 25 7.832 -4.402 -0.100 179 HA SER 25 HA SER 25 7.499 -6.756 1.466 180 1HB SER 25 2HB SER 25 8.035 -4.498 2.357 181 2HB SER 25 3HB SER 25 6.413 -3.948 1.911 182 HG SER 25 HG SER 25 7.121 -5.968 3.791 183 H LEU 26 H LEU 26 5.019 -4.624 -0.083 184 HA LEU 26 HA LEU 26 2.823 -6.157 0.943 185 1HB LEU 26 2HB LEU 26 3.175 -4.063 -1.197 186 2HB LEU 26 3HB LEU 26 1.698 -5.021 -1.189 187 HG LEU 26 HG LEU 26 1.475 -2.924 -0.067 188 1HD1 LEU 26 1HD1 LEU 26 1.098 -5.216 1.921 189 2HD1 LEU 26 2HD1 LEU 26 0.210 -3.693 1.853 190 3HD1 LEU 26 3HD1 LEU 26 0.027 -4.874 0.549 191 1HD2 LEU 26 1HD2 LEU 26 3.600 -2.555 1.018 192 2HD2 LEU 26 2HD2 LEU 26 2.351 -2.606 2.255 193 3HD2 LEU 26 3HD2 LEU 26 3.412 -4.001 2.028 194 H THR 27 H THR 27 4.696 -6.457 -2.085 195 HA THR 27 HA THR 27 3.041 -8.565 -3.109 196 HB THR 27 HB THR 27 5.171 -9.220 -4.381 197 HG1 THR 27 1HG THR 27 6.499 -7.970 -2.755 198 1HG2 THR 27 1HG2 THR 27 4.961 -7.309 -5.888 199 2HG2 THR 27 2HG2 THR 27 3.351 -7.804 -5.327 200 3HG2 THR 27 3HG2 THR 27 4.142 -6.369 -4.632 201 H LYS 28 H LYS 28 2.685 -9.545 -0.961 202 HA LYS 28 HA LYS 28 4.330 -11.953 -0.574 203 1HB LYS 28 2HB LYS 28 4.683 -11.716 1.766 204 2HB LYS 28 3HB LYS 28 5.360 -10.314 0.936 205 1HG LYS 28 2HG LYS 28 3.350 -8.987 1.643 206 2HG LYS 28 3HG LYS 28 2.764 -10.387 2.565 207 1HD LYS 28 2HD LYS 28 4.628 -10.354 4.063 208 2HD LYS 28 3HD LYS 28 5.557 -9.312 2.996 209 1HE LYS 28 2HE LYS 28 4.894 -8.033 4.914 210 2HE LYS 28 3HE LYS 28 4.142 -7.385 3.459 211 1HZ LYS 28 1HZ LYS 28 2.593 -7.473 5.329 212 2HZ LYS 28 2HZ LYS 28 2.077 -8.364 4.105 213 3HZ LYS 28 3HZ LYS 28 2.758 -9.110 5.417 214 H HIS 29 H HIS 29 1.438 -10.106 0.434 215 HA HIS 29 HA HIS 29 0.225 -12.011 1.993 216 1HB HIS 29 2HB HIS 29 -0.954 -9.829 0.245 217 2HB HIS 29 3HB HIS 29 -1.903 -10.765 1.402 218 HD1 HIS 29 1HD HIS 29 -1.713 -10.112 3.938 219 HD2 HIS 29 2HD HIS 29 1.019 -8.184 1.370 220 HE1 HIS 29 1HE HIS 29 -0.572 -8.278 5.303 221 H ARG 30 H ARG 30 -0.127 -11.609 -1.483 222 HA ARG 30 HA ARG 30 -0.316 -13.644 -2.843 223 1HB ARG 30 2HB ARG 30 -1.341 -15.142 -1.214 224 2HB ARG 30 3HB ARG 30 -2.807 -14.150 -1.170 225 1HG ARG 30 2HG ARG 30 -2.394 -14.791 -3.924 226 2HG ARG 30 3HG ARG 30 -1.966 -16.250 -3.042 227 1HD ARG 30 2HD ARG 30 -4.580 -14.684 -2.788 228 2HD ARG 30 3HD ARG 30 -4.347 -16.189 -3.686 229 HE ARG 30 HE ARG 30 -3.505 -16.586 -0.986 230 1HH1 ARG 30 2HH2 ARG 30 -6.465 -15.836 -2.744 231 2HH1 ARG 30 1HH2 ARG 30 -7.529 -16.640 -1.778 232 1HH2 ARG 30 2HH1 ARG 30 -4.920 -17.794 0.464 233 2HH2 ARG 30 1HH1 ARG 30 -6.612 -17.921 0.078 234 H GLY 31 H GLY 31 -3.557 -12.384 -1.937 235 1HA GLY 31 2HA GLY 31 -4.117 -11.746 -4.686 236 2HA GLY 31 1HA GLY 31 -5.170 -11.512 -3.289 237 H ILE 32 H ILE 32 -1.982 -10.129 -4.271 238 HA ILE 32 HA ILE 32 -3.273 -7.486 -4.579 239 HB ILE 32 HB ILE 32 -0.699 -8.244 -3.352 240 1HG1 ILE 32 2HG1 ILE 32 -2.235 -5.629 -3.632 241 2HG1 ILE 32 3HG1 ILE 32 -2.609 -6.891 -2.434 242 1HG2 ILE 32 1HG2 ILE 32 0.256 -7.597 -5.565 243 2HG2 ILE 32 2HG2 ILE 32 -0.606 -6.041 -5.457 244 3HG2 ILE 32 3HG2 ILE 32 0.659 -6.482 -4.291 245 1HD1 ILE 32 1HD1 ILE 32 -0.213 -6.704 -1.613 246 2HD1 ILE 32 2HD1 ILE 32 -0.095 -5.228 -2.610 247 3HD1 ILE 32 3HD1 ILE 32 -1.274 -5.318 -1.285 248 H LEU 33 H LEU 33 -3.517 -6.901 -6.596 249 HA LEU 33 HA LEU 33 -2.332 -8.555 -8.730 250 1HB LEU 33 2HB LEU 33 -4.218 -6.167 -8.875 251 2HB LEU 33 3HB LEU 33 -3.746 -7.218 -10.219 252 HG LEU 33 HG LEU 33 -5.409 -8.010 -7.779 253 1HD1 LEU 33 1HD1 LEU 33 -6.536 -6.614 -9.483 254 2HD1 LEU 33 2HD1 LEU 33 -6.103 -7.791 -10.740 255 3HD1 LEU 33 3HD1 LEU 33 -7.201 -8.262 -9.426 256 1HD2 LEU 33 1HD2 LEU 33 -4.092 -9.965 -8.418 257 2HD2 LEU 33 2HD2 LEU 33 -5.742 -10.171 -9.005 258 3HD2 LEU 33 3HD2 LEU 33 -4.459 -9.700 -10.142 259 H TYR 34 H TYR 34 -2.262 -5.166 -7.453 260 HA TYR 34 HA TYR 34 0.453 -4.949 -8.496 261 1HB TYR 34 2HB TYR 34 -0.857 -4.452 -10.509 262 2HB TYR 34 3HB TYR 34 -1.784 -3.243 -9.626 263 HD1 TYR 34 HD1 TYR 34 -1.281 -1.136 -10.509 264 HD2 TYR 34 HD2 TYR 34 1.925 -3.975 -10.002 265 HE1 TYR 34 HE1 TYR 34 0.372 0.622 -11.049 266 HE2 TYR 34 HE2 TYR 34 3.571 -2.176 -10.374 267 HH TYR 34 HH TYR 34 3.811 0.129 -10.266 268 H CYS 35 H CYS 35 1.574 -4.000 -6.982 269 HA CYS 35 HA CYS 35 0.467 -2.035 -5.065 270 1HB CYS 35 2HB CYS 35 3.377 -2.847 -5.577 271 2HB CYS 35 3HB CYS 35 2.731 -1.983 -4.176 272 HG CYS 35 HG CYS 35 3.563 -4.285 -3.560 273 H SER 36 H SER 36 0.636 0.234 -5.596 274 HA SER 36 HA SER 36 2.757 0.961 -7.553 275 1HB SER 36 2HB SER 36 0.310 0.714 -8.517 276 2HB SER 36 3HB SER 36 0.031 2.233 -7.678 277 HG SER 36 HG SER 36 2.031 1.737 -9.647 278 H VAL 37 H VAL 37 4.042 1.854 -5.969 279 HA VAL 37 HA VAL 37 2.843 3.815 -4.092 280 HB VAL 37 HB VAL 37 5.444 2.264 -4.089 281 1HG1 VAL 37 1HG1 VAL 37 4.067 3.850 -1.879 282 2HG1 VAL 37 2HG1 VAL 37 5.559 2.910 -1.710 283 3HG1 VAL 37 3HG1 VAL 37 5.550 4.352 -2.730 284 1HG2 VAL 37 1HG2 VAL 37 4.444 0.782 -2.499 285 2HG2 VAL 37 2HG2 VAL 37 2.991 1.776 -2.368 286 3HG2 VAL 37 3HG2 VAL 37 3.304 0.845 -3.830 287 H ALA 38 H ALA 38 3.408 5.938 -4.094 288 HA ALA 38 HA ALA 38 5.792 6.785 -5.631 289 1HB ALA 38 1HB ALA 38 3.034 7.962 -6.134 290 2HB ALA 38 2HB ALA 38 4.590 8.542 -6.775 291 3HB ALA 38 3HB ALA 38 3.965 6.949 -7.274 292 H LEU 39 H LEU 39 6.819 8.390 -4.738 293 HA LEU 39 HA LEU 39 5.982 9.424 -2.141 294 1HB LEU 39 2HB LEU 39 8.141 10.387 -1.974 295 2HB LEU 39 3HB LEU 39 8.246 8.724 -2.534 296 HG LEU 39 HG LEU 39 8.330 9.933 -4.959 297 1HD1 LEU 39 1HD1 LEU 39 9.693 11.990 -4.822 298 2HD1 LEU 39 2HD1 LEU 39 8.144 12.262 -4.016 299 3HD1 LEU 39 3HD1 LEU 39 9.599 11.962 -3.052 300 1HD2 LEU 39 1HD2 LEU 39 10.791 9.789 -4.798 301 2HD2 LEU 39 2HD2 LEU 39 10.670 9.702 -3.027 302 3HD2 LEU 39 3HD2 LEU 39 10.019 8.389 -4.032 303 H ALA 40 H ALA 40 5.852 10.537 -5.441 304 HA ALA 40 HA ALA 40 5.926 13.283 -5.206 305 1HB ALA 40 1HB ALA 40 4.557 13.323 -7.256 306 2HB ALA 40 2HB ALA 40 5.806 12.067 -7.340 307 3HB ALA 40 3HB ALA 40 4.116 11.619 -7.010 308 H THR 41 H THR 41 3.202 11.140 -4.427 309 HA THR 41 HA THR 41 1.938 13.392 -2.945 310 HB THR 41 HB THR 41 -0.273 12.286 -3.594 311 HG1 THR 41 1HG THR 41 1.287 11.456 -5.812 312 1HG2 THR 41 1HG2 THR 41 1.272 13.806 -5.744 313 2HG2 THR 41 2HG2 THR 41 -0.493 13.643 -5.644 314 3HG2 THR 41 3HG2 THR 41 0.389 14.530 -4.386 315 H ASN 42 H ASN 42 3.772 11.405 -2.205 316 HA ASN 42 HA ASN 42 4.147 9.560 -0.862 317 1HB ASN 42 2HB ASN 42 2.505 11.341 0.951 318 2HB ASN 42 3HB ASN 42 3.738 10.176 1.450 319 1HD2 ASN 42 1HD2 ASN 42 6.075 10.788 1.229 320 2HD2 ASN 42 2HD2 ASN 42 6.442 12.416 0.727 321 H LYS 43 H LYS 43 2.434 8.302 -2.371 322 HA LYS 43 HA LYS 43 0.366 7.160 -0.557 323 1HB LYS 43 2HB LYS 43 -1.288 7.168 -2.297 324 2HB LYS 43 3HB LYS 43 -0.822 8.816 -1.860 325 1HG LYS 43 2HG LYS 43 0.307 9.180 -3.885 326 2HG LYS 43 3HG LYS 43 0.546 7.469 -4.218 327 1HD LYS 43 2HD LYS 43 -1.113 8.347 -5.730 328 2HD LYS 43 3HD LYS 43 -1.818 7.118 -4.666 329 1HE LYS 43 2HE LYS 43 -2.780 8.947 -3.228 330 2HE LYS 43 3HE LYS 43 -2.056 10.154 -4.304 331 1HZ LYS 43 1HZ LYS 43 -3.461 9.318 -6.064 332 2HZ LYS 43 2HZ LYS 43 -4.111 8.172 -5.074 333 3HZ LYS 43 3HZ LYS 43 -4.374 9.762 -4.774 334 H ALA 44 H ALA 44 -0.426 5.149 -1.094 335 HA ALA 44 HA ALA 44 0.969 3.641 -3.249 336 1HB ALA 44 1HB ALA 44 1.557 2.759 -0.960 337 2HB ALA 44 2HB ALA 44 -0.162 2.505 -0.658 338 3HB ALA 44 3HB ALA 44 0.634 1.610 -1.962 339 H HIS 45 H HIS 45 -0.513 3.077 -4.869 340 HA HIS 45 HA HIS 45 -3.305 2.819 -3.978 341 1HB HIS 45 2HB HIS 45 -4.152 2.968 -6.009 342 2HB HIS 45 3HB HIS 45 -2.947 4.247 -6.061 343 HD1 HIS 45 1HD HIS 45 -2.081 4.263 -8.486 344 HD2 HIS 45 2HD HIS 45 -3.121 0.439 -7.069 345 HE1 HIS 45 1HE HIS 45 -1.890 2.677 -10.470 346 H ILE 46 H ILE 46 -3.845 0.758 -3.594 347 HA ILE 46 HA ILE 46 -1.972 -1.392 -4.556 348 HB ILE 46 HB ILE 46 -3.482 -1.217 -1.921 349 1HG1 ILE 46 2HG1 ILE 46 -0.501 -1.227 -2.630 350 2HG1 ILE 46 3HG1 ILE 46 -1.410 0.166 -2.020 351 1HG2 ILE 46 1HG2 ILE 46 -3.348 -3.516 -3.040 352 2HG2 ILE 46 2HG2 ILE 46 -1.591 -3.369 -2.953 353 3HG2 ILE 46 3HG2 ILE 46 -2.574 -3.413 -1.464 354 1HD1 ILE 46 1HD1 ILE 46 -0.815 -2.390 -0.489 355 2HD1 ILE 46 2HD1 ILE 46 -0.151 -0.772 -0.207 356 3HD1 ILE 46 3HD1 ILE 46 -1.877 -1.079 0.071 357 H LYS 47 H LYS 47 -2.943 -2.538 -6.063 358 HA LYS 47 HA LYS 47 -5.907 -2.616 -6.340 359 1HB LYS 47 2HB LYS 47 -3.601 -3.611 -8.070 360 2HB LYS 47 3HB LYS 47 -5.313 -3.737 -8.435 361 1HG LYS 47 2HG LYS 47 -4.995 -1.004 -7.875 362 2HG LYS 47 3HG LYS 47 -3.454 -1.405 -8.612 363 1HD LYS 47 2HD LYS 47 -4.763 -2.522 -10.529 364 2HD LYS 47 3HD LYS 47 -6.261 -2.104 -9.707 365 1HE LYS 47 2HE LYS 47 -5.939 -0.556 -11.499 366 2HE LYS 47 3HE LYS 47 -5.785 0.314 -9.966 367 1HZ LYS 47 1HZ LYS 47 -3.505 -0.651 -11.575 368 2HZ LYS 47 2HZ LYS 47 -4.087 0.891 -11.596 369 3HZ LYS 47 3HZ LYS 47 -3.421 0.297 -10.220 370 H TYR 48 H TYR 48 -6.722 -4.099 -4.851 371 HA TYR 48 HA TYR 48 -5.290 -6.703 -4.643 372 1HB TYR 48 2HB TYR 48 -5.483 -6.666 -2.282 373 2HB TYR 48 3HB TYR 48 -4.670 -5.220 -2.774 374 HD1 TYR 48 HD1 TYR 48 -5.526 -3.053 -2.157 375 HD2 TYR 48 HD2 TYR 48 -7.970 -6.561 -1.581 376 HE1 TYR 48 HE1 TYR 48 -6.826 -1.876 -0.430 377 HE2 TYR 48 HE2 TYR 48 -9.304 -5.353 0.104 378 HH TYR 48 HH TYR 48 -8.585 -1.972 1.026 379 H ASP 49 H ASP 49 -6.456 -8.481 -4.024 380 HA ASP 49 HA ASP 49 -9.219 -8.469 -4.998 381 1HB ASP 49 2HB ASP 49 -7.393 -10.742 -4.121 382 2HB ASP 49 3HB ASP 49 -8.950 -10.897 -4.938 383 HA PRO 50 HA PRO 50 -10.142 -8.302 -0.529 384 1HB PRO 50 2HB PRO 50 -12.755 -7.570 -0.576 385 2HB PRO 50 3HB PRO 50 -11.456 -6.478 -1.119 386 1HG PRO 50 2HG PRO 50 -13.149 -8.293 -2.866 387 2HG PRO 50 3HG PRO 50 -12.905 -6.529 -3.051 388 1HD PRO 50 2HD PRO 50 -11.401 -8.326 -4.432 389 2HD PRO 50 3HD PRO 50 -10.676 -6.826 -3.783 390 H GLU 51 H GLU 51 -9.907 -10.884 -1.764 391 HA GLU 51 HA GLU 51 -12.186 -12.466 -0.709 392 1HB GLU 51 2HB GLU 51 -10.822 -14.376 -1.476 393 2HB GLU 51 3HB GLU 51 -11.389 -13.323 -2.759 394 1HG GLU 51 2HG GLU 51 -9.328 -12.760 -3.469 395 2HG GLU 51 3HG GLU 51 -8.674 -12.534 -1.857 396 H ILE 52 H ILE 52 -8.825 -11.591 -0.067 397 HA ILE 52 HA ILE 52 -8.965 -12.822 2.640 398 HB ILE 52 HB ILE 52 -6.667 -13.591 2.376 399 1HG1 ILE 52 2HG1 ILE 52 -6.296 -14.055 -0.350 400 2HG1 ILE 52 3HG1 ILE 52 -6.791 -12.373 -0.314 401 1HG2 ILE 52 1HG2 ILE 52 -8.599 -14.854 0.412 402 2HG2 ILE 52 2HG2 ILE 52 -7.209 -15.635 1.191 403 3HG2 ILE 52 3HG2 ILE 52 -8.585 -15.103 2.167 404 1HD1 ILE 52 1HD1 ILE 52 -4.491 -13.674 1.206 405 2HD1 ILE 52 2HD1 ILE 52 -4.385 -12.475 -0.096 406 3HD1 ILE 52 3HD1 ILE 52 -5.006 -12.003 1.492 407 H ILE 53 H ILE 53 -7.066 -10.595 0.560 408 HA ILE 53 HA ILE 53 -5.991 -9.328 2.950 409 HB ILE 53 HB ILE 53 -4.601 -9.623 1.050 410 1HG1 ILE 53 2HG1 ILE 53 -4.493 -6.795 0.632 411 2HG1 ILE 53 3HG1 ILE 53 -5.092 -7.022 2.279 412 1HG2 ILE 53 1HG2 ILE 53 -4.802 -8.422 -1.023 413 2HG2 ILE 53 2HG2 ILE 53 -6.099 -9.605 -0.842 414 3HG2 ILE 53 3HG2 ILE 53 -6.432 -7.879 -0.580 415 1HD1 ILE 53 1HD1 ILE 53 -2.627 -8.276 1.073 416 2HD1 ILE 53 2HD1 ILE 53 -2.667 -7.030 2.341 417 3HD1 ILE 53 3HD1 ILE 53 -3.293 -8.668 2.684 418 H GLY 54 H GLY 54 -6.961 -7.742 4.086 419 1HA GLY 54 2HA GLY 54 -9.080 -6.060 2.772 420 2HA GLY 54 1HA GLY 54 -8.927 -6.445 4.499 421 HA PRO 55 HA PRO 55 -6.549 -2.448 3.698 422 1HB PRO 55 2HB PRO 55 -7.904 -0.947 5.566 423 2HB PRO 55 3HB PRO 55 -8.374 -1.058 3.848 424 1HG PRO 55 2HG PRO 55 -9.518 -2.614 6.177 425 2HG PRO 55 3HG PRO 55 -10.404 -1.765 4.879 426 1HD PRO 55 2HD PRO 55 -9.964 -4.439 4.781 427 2HD PRO 55 3HD PRO 55 -9.883 -3.458 3.296 428 H ARG 56 H ARG 56 -7.855 -4.247 6.458 429 HA ARG 56 HA ARG 56 -6.238 -3.531 8.574 430 1HB ARG 56 2HB ARG 56 -7.219 -6.288 7.724 431 2HB ARG 56 3HB ARG 56 -6.635 -5.929 9.339 432 1HG ARG 56 2HG ARG 56 -8.897 -4.220 8.254 433 2HG ARG 56 3HG ARG 56 -9.241 -5.905 8.620 434 1HD ARG 56 2HD ARG 56 -9.786 -4.374 10.466 435 2HD ARG 56 3HD ARG 56 -8.681 -5.647 10.926 436 HE ARG 56 HE ARG 56 -8.090 -2.737 10.491 437 1HH1 ARG 56 2HH2 ARG 56 -6.929 -5.871 11.794 438 2HH1 ARG 56 1HH2 ARG 56 -5.456 -5.140 12.409 439 1HH2 ARG 56 2HH1 ARG 56 -6.095 -1.882 11.399 440 2HH2 ARG 56 1HH1 ARG 56 -4.999 -3.027 12.155 441 H ASP 57 H ASP 57 -5.533 -6.252 6.309 442 HA ASP 57 HA ASP 57 -3.104 -7.034 7.381 443 1HB ASP 57 2HB ASP 57 -3.892 -7.174 4.439 444 2HB ASP 57 3HB ASP 57 -2.898 -8.319 5.352 445 H ILE 58 H ILE 58 -3.787 -4.966 4.614 446 HA ILE 58 HA ILE 58 -1.193 -4.229 3.762 447 HB ILE 58 HB ILE 58 -3.863 -2.759 3.761 448 1HG1 ILE 58 2HG1 ILE 58 -2.419 -4.232 1.518 449 2HG1 ILE 58 3HG1 ILE 58 -3.762 -4.877 2.477 450 1HG2 ILE 58 1HG2 ILE 58 -1.366 -1.998 2.217 451 2HG2 ILE 58 2HG2 ILE 58 -2.965 -1.225 2.095 452 3HG2 ILE 58 3HG2 ILE 58 -2.055 -1.083 3.575 453 1HD1 ILE 58 1HD1 ILE 58 -3.874 -2.510 0.589 454 2HD1 ILE 58 2HD1 ILE 58 -4.728 -4.060 0.491 455 3HD1 ILE 58 3HD1 ILE 58 -5.147 -2.892 1.768 456 H ILE 59 H ILE 59 -3.451 -2.605 6.035 457 HA ILE 59 HA ILE 59 -1.743 -0.481 6.556 458 HB ILE 59 HB ILE 59 -4.126 -1.628 7.948 459 1HG1 ILE 59 2HG1 ILE 59 -3.690 1.097 6.669 460 2HG1 ILE 59 3HG1 ILE 59 -4.159 -0.331 5.752 461 1HG2 ILE 59 1HG2 ILE 59 -2.881 -0.769 9.846 462 2HG2 ILE 59 2HG2 ILE 59 -2.508 0.734 8.987 463 3HG2 ILE 59 3HG2 ILE 59 -4.172 0.367 9.473 464 1HD1 ILE 59 1HD1 ILE 59 -6.113 -0.612 7.325 465 2HD1 ILE 59 2HD1 ILE 59 -5.727 1.006 7.966 466 3HD1 ILE 59 3HD1 ILE 59 -6.145 0.806 6.250 467 H HIS 60 H HIS 60 -2.183 -3.510 8.487 468 HA HIS 60 HA HIS 60 -0.260 -2.731 10.490 469 1HB HIS 60 2HB HIS 60 -1.328 -5.425 9.588 470 2HB HIS 60 3HB HIS 60 -0.058 -5.285 10.809 471 HD1 HIS 60 1HD HIS 60 -0.759 -3.516 12.944 472 HD2 HIS 60 2HD HIS 60 -3.749 -5.347 10.619 473 HE1 HIS 60 1HE HIS 60 -2.916 -3.382 14.301 474 H THR 61 H THR 61 0.036 -4.358 7.362 475 HA THR 61 HA THR 61 2.817 -5.041 7.596 476 HB THR 61 HB THR 61 1.023 -4.460 5.224 477 HG1 THR 61 1HG THR 61 0.480 -6.267 6.225 478 1HG2 THR 61 1HG2 THR 61 3.886 -5.526 5.218 479 2HG2 THR 61 2HG2 THR 61 2.756 -5.554 3.833 480 3HG2 THR 61 3HG2 THR 61 3.329 -4.016 4.480 481 H ILE 62 H ILE 62 1.235 -2.063 6.268 482 HA ILE 62 HA ILE 62 3.792 -0.875 5.672 483 HB ILE 62 HB ILE 62 1.009 0.303 5.785 484 1HG1 ILE 62 2HG1 ILE 62 2.804 -0.563 3.460 485 2HG1 ILE 62 3HG1 ILE 62 1.495 -1.548 4.111 486 1HG2 ILE 62 1HG2 ILE 62 3.562 1.428 4.564 487 2HG2 ILE 62 2HG2 ILE 62 1.975 2.197 4.506 488 3HG2 ILE 62 3HG2 ILE 62 2.808 2.072 6.044 489 1HD1 ILE 62 1HD1 ILE 62 0.660 -0.485 2.170 490 2HD1 ILE 62 2HD1 ILE 62 -0.120 0.264 3.582 491 3HD1 ILE 62 3HD1 ILE 62 1.184 1.112 2.713 492 H GLU 63 H GLU 63 1.537 -0.494 8.447 493 HA GLU 63 HA GLU 63 2.895 1.432 9.962 494 1HB GLU 63 2HB GLU 63 1.545 -1.170 10.785 495 2HB GLU 63 3HB GLU 63 2.110 0.029 11.943 496 1HG GLU 63 2HG GLU 63 0.134 0.750 9.729 497 2HG GLU 63 3HG GLU 63 -0.373 0.113 11.299 498 H SER 64 H SER 64 3.549 -2.108 9.725 499 HA SER 64 HA SER 64 5.804 -2.121 11.418 500 1HB SER 64 2HB SER 64 5.376 -3.956 9.034 501 2HB SER 64 3HB SER 64 6.375 -4.243 10.461 502 HG SER 64 HG SER 64 3.538 -3.943 10.414 503 H LEU 65 H LEU 65 5.609 -0.861 8.131 504 HA LEU 65 HA LEU 65 8.552 -0.898 7.780 505 1HB LEU 65 2HB LEU 65 6.413 0.364 6.046 506 2HB LEU 65 3HB LEU 65 8.120 0.138 5.649 507 HG LEU 65 HG LEU 65 6.091 -2.095 6.059 508 1HD1 LEU 65 1HD1 LEU 65 6.241 -2.393 3.657 509 2HD1 LEU 65 2HD1 LEU 65 5.750 -0.730 4.007 510 3HD1 LEU 65 3HD1 LEU 65 7.426 -1.074 3.524 511 1HD2 LEU 65 1HD2 LEU 65 7.876 -3.555 5.113 512 2HD2 LEU 65 2HD2 LEU 65 9.015 -2.197 5.195 513 3HD2 LEU 65 3HD2 LEU 65 8.327 -2.887 6.684 514 H GLY 66 H GLY 66 6.204 1.084 9.321 515 1HA GLY 66 2HA GLY 66 6.687 2.862 10.665 516 2HA GLY 66 1HA GLY 66 8.275 3.055 9.917 517 H PHE 67 H PHE 67 4.949 3.082 8.470 518 HA PHE 67 HA PHE 67 5.088 5.997 8.070 519 1HB PHE 67 2HB PHE 67 4.033 4.273 5.841 520 2HB PHE 67 3HB PHE 67 4.605 5.928 5.785 521 HD1 PHE 67 1HD PHE 67 7.301 6.118 6.382 522 HD2 PHE 67 2HD PHE 67 5.352 2.548 4.999 523 HE1 PHE 67 1HE PHE 67 9.415 5.370 5.341 524 HE2 PHE 67 2HE PHE 67 7.468 1.778 3.989 525 HZ PHE 67 HZ PHE 67 9.477 3.202 4.108 526 H GLU 68 H GLU 68 2.790 6.822 7.763 527 HA GLU 68 HA GLU 68 0.855 5.045 9.144 528 1HB GLU 68 2HB GLU 68 0.971 8.014 8.599 529 2HB GLU 68 3HB GLU 68 -0.451 7.150 9.196 530 1HG GLU 68 2HG GLU 68 0.877 6.317 11.145 531 2HG GLU 68 3HG GLU 68 2.233 7.333 10.611 532 HA PRO 69 HA PRO 69 -0.667 4.609 4.754 533 1HB PRO 69 2HB PRO 69 -2.055 2.292 5.040 534 2HB PRO 69 3HB PRO 69 -0.272 2.327 4.964 535 1HG PRO 69 2HG PRO 69 -1.997 2.287 7.443 536 2HG PRO 69 3HG PRO 69 -0.626 1.202 7.054 537 1HD PRO 69 2HD PRO 69 -0.304 3.323 8.632 538 2HD PRO 69 3HD PRO 69 0.942 2.874 7.427 539 H SER 70 H SER 70 -1.792 6.593 5.269 540 HA SER 70 HA SER 70 -4.294 6.480 6.746 541 1HB SER 70 2HB SER 70 -3.121 8.693 5.038 542 2HB SER 70 3HB SER 70 -4.393 8.855 6.262 543 HG SER 70 HG SER 70 -1.748 7.857 6.745 544 H LEU 71 H LEU 71 -5.784 5.203 5.774 545 HA LEU 71 HA LEU 71 -6.145 4.795 3.009 546 1HB LEU 71 2HB LEU 71 -8.113 3.526 3.675 547 2HB LEU 71 3HB LEU 71 -6.695 3.116 4.627 548 HG LEU 71 HG LEU 71 -8.308 5.249 5.910 549 1HD1 LEU 71 1HD1 LEU 71 -9.594 2.520 5.474 550 2HD1 LEU 71 2HD1 LEU 71 -10.185 3.795 6.563 551 3HD1 LEU 71 3HD1 LEU 71 -10.173 4.064 4.812 552 1HD2 LEU 71 1HD2 LEU 71 -6.494 3.872 7.037 553 2HD2 LEU 71 2HD2 LEU 71 -8.056 3.882 7.874 554 3HD2 LEU 71 3HD2 LEU 71 -7.582 2.476 6.910 555 H VAL 72 H VAL 72 -6.206 7.309 2.588 556 HA VAL 72 HA VAL 72 -8.653 8.678 3.054 557 HB VAL 72 HB VAL 72 -6.558 9.214 0.912 558 1HG1 VAL 72 1HG1 VAL 72 -8.733 11.006 2.095 559 2HG1 VAL 72 2HG1 VAL 72 -7.438 11.544 1.005 560 3HG1 VAL 72 3HG1 VAL 72 -8.664 10.421 0.423 561 1HG2 VAL 72 1HG2 VAL 72 -6.910 10.309 3.747 562 2HG2 VAL 72 2HG2 VAL 72 -5.565 9.307 3.175 563 3HG2 VAL 72 3HG2 VAL 72 -5.762 10.939 2.550 564 H LYS 73 H LYS 73 -7.533 6.899 0.131 565 HA LYS 73 HA LYS 73 -8.538 6.195 -1.693 566 1HB LYS 73 2HB LYS 73 -10.415 5.288 -0.282 567 2HB LYS 73 3HB LYS 73 -11.260 6.821 -0.509 568 1HG LYS 73 2HG LYS 73 -12.283 5.539 -2.087 569 2HG LYS 73 3HG LYS 73 -11.096 6.371 -3.061 570 1HD LYS 73 2HD LYS 73 -9.616 4.232 -2.717 571 2HD LYS 73 3HD LYS 73 -11.072 3.506 -2.039 572 1HE LYS 73 2HE LYS 73 -11.134 2.850 -4.317 573 2HE LYS 73 3HE LYS 73 -12.258 4.205 -4.227 574 1HZ LYS 73 1HZ LYS 73 -11.011 4.691 -6.065 575 2HZ LYS 73 2HZ LYS 73 -10.209 5.567 -4.977 576 3HZ LYS 73 3HZ LYS 73 -9.544 4.174 -5.420 577 H ILE 74 H ILE 74 -8.794 7.218 -3.672 578 HA ILE 74 HA ILE 74 -10.458 9.650 -3.770 579 HB ILE 74 HB ILE 74 -9.098 10.671 -5.503 580 1HG1 ILE 74 2HG1 ILE 74 -6.854 8.725 -4.807 581 2HG1 ILE 74 3HG1 ILE 74 -7.863 8.599 -6.255 582 1HG2 ILE 74 1HG2 ILE 74 -7.465 10.294 -2.956 583 2HG2 ILE 74 2HG2 ILE 74 -7.449 11.700 -4.042 584 3HG2 ILE 74 3HG2 ILE 74 -8.894 11.336 -3.100 585 1HD1 ILE 74 1HD1 ILE 74 -7.180 10.861 -6.973 586 2HD1 ILE 74 2HD1 ILE 74 -6.029 10.931 -5.622 587 3HD1 ILE 74 3HD1 ILE 74 -5.847 9.702 -6.891 588 H GLU 75 H GLU 75 -11.842 9.569 -5.576 589 HA GLU 75 HA GLU 75 -13.203 8.418 -6.987 590 1HB GLU 75 2HB GLU 75 -10.561 7.418 -8.140 591 2HB GLU 75 3HB GLU 75 -12.120 7.446 -8.965 592 1HG GLU 75 2HG GLU 75 -12.166 9.905 -8.890 593 2HG GLU 75 3HG GLU 75 -10.661 9.946 -7.953 Start of MODEL 3 1 1H MET 1 H1 MET 1 -15.595 -9.066 -5.859 2 2H MET 1 H2 MET 1 -16.673 -10.313 -6.275 3 3H MET 1 H3 MET 1 -15.321 -10.606 -5.369 4 HA MET 1 HA MET 1 -14.879 -11.400 -7.425 5 1HB MET 1 2HB MET 1 -15.099 -8.630 -8.639 6 2HB MET 1 3HB MET 1 -15.049 -10.202 -9.435 7 1HG MET 1 2HG MET 1 -17.351 -8.778 -8.109 8 2HG MET 1 3HG MET 1 -17.261 -9.468 -9.724 9 1HE MET 1 1HE MET 1 -16.156 -12.470 -9.042 10 2HE MET 1 2HE MET 1 -17.710 -13.318 -8.911 11 3HE MET 1 3HE MET 1 -17.460 -12.117 -10.199 12 H GLY 2 H GLY 2 -12.696 -11.053 -8.435 13 1HA GLY 2 2HA GLY 2 -10.869 -9.969 -6.480 14 2HA GLY 2 1HA GLY 2 -10.476 -10.740 -8.025 15 H ASP 3 H ASP 3 -8.870 -8.878 -7.602 16 HA ASP 3 HA ASP 3 -7.967 -6.884 -8.115 17 1HB ASP 3 2HB ASP 3 -8.362 -7.897 -10.391 18 2HB ASP 3 3HB ASP 3 -9.794 -6.872 -10.549 19 H GLY 4 H GLY 4 -9.612 -4.698 -9.681 20 1HA GLY 4 2HA GLY 4 -10.806 -2.810 -8.949 21 2HA GLY 4 1HA GLY 4 -11.002 -3.508 -7.332 22 H VAL 5 H VAL 5 -10.154 -1.346 -6.613 23 HA VAL 5 HA VAL 5 -7.252 -1.387 -6.279 24 HB VAL 5 HB VAL 5 -8.719 1.075 -7.359 25 1HG1 VAL 5 1HG1 VAL 5 -6.399 2.025 -7.513 26 2HG1 VAL 5 2HG1 VAL 5 -6.905 1.720 -5.857 27 3HG1 VAL 5 3HG1 VAL 5 -5.787 0.593 -6.658 28 1HG2 VAL 5 1HG2 VAL 5 -7.233 0.853 -9.352 29 2HG2 VAL 5 2HG2 VAL 5 -6.705 -0.724 -8.735 30 3HG2 VAL 5 3HG2 VAL 5 -8.397 -0.468 -9.224 31 H LEU 6 H LEU 6 -6.726 -0.458 -4.241 32 HA LEU 6 HA LEU 6 -8.711 1.364 -3.043 33 1HB LEU 6 2HB LEU 6 -8.732 -0.703 -1.646 34 2HB LEU 6 3HB LEU 6 -6.954 -0.671 -1.647 35 HG LEU 6 HG LEU 6 -6.948 1.437 -0.417 36 1HD1 LEU 6 1HD1 LEU 6 -9.044 2.245 0.684 37 2HD1 LEU 6 2HD1 LEU 6 -9.149 2.395 -1.071 38 3HD1 LEU 6 3HD1 LEU 6 -9.978 1.057 -0.250 39 1HD2 LEU 6 1HD2 LEU 6 -6.780 -0.637 0.840 40 2HD2 LEU 6 2HD2 LEU 6 -7.726 0.538 1.764 41 3HD2 LEU 6 3HD2 LEU 6 -8.553 -0.778 0.908 42 H GLU 7 H GLU 7 -7.597 3.244 -2.278 43 HA GLU 7 HA GLU 7 -4.670 3.304 -2.781 44 1HB GLU 7 2HB GLU 7 -6.583 5.624 -3.140 45 2HB GLU 7 3HB GLU 7 -4.822 5.615 -3.331 46 1HG GLU 7 2HG GLU 7 -5.234 3.718 -5.084 47 2HG GLU 7 3HG GLU 7 -6.912 4.289 -5.088 48 H LEU 8 H LEU 8 -3.453 3.851 -1.129 49 HA LEU 8 HA LEU 8 -4.710 4.818 1.409 50 1HB LEU 8 2HB LEU 8 -2.407 2.869 0.970 51 2HB LEU 8 3HB LEU 8 -2.862 3.509 2.553 52 HG LEU 8 HG LEU 8 -5.044 2.233 0.945 53 1HD1 LEU 8 1HD1 LEU 8 -2.819 0.717 2.346 54 2HD1 LEU 8 2HD1 LEU 8 -4.362 -0.009 1.829 55 3HD1 LEU 8 3HD1 LEU 8 -3.231 0.633 0.620 56 1HD2 LEU 8 1HD2 LEU 8 -5.286 3.309 3.228 57 2HD2 LEU 8 2HD2 LEU 8 -5.872 1.630 3.098 58 3HD2 LEU 8 3HD2 LEU 8 -4.325 1.979 3.884 59 H VAL 9 H VAL 9 -3.968 6.762 1.938 60 HA VAL 9 HA VAL 9 -1.719 7.999 0.494 61 HB VAL 9 HB VAL 9 -3.460 9.123 2.715 62 1HG1 VAL 9 1HG1 VAL 9 -1.243 10.233 2.507 63 2HG1 VAL 9 2HG1 VAL 9 -1.508 10.435 0.764 64 3HG1 VAL 9 3HG1 VAL 9 -2.544 11.285 1.929 65 1HG2 VAL 9 1HG2 VAL 9 -4.816 8.635 0.713 66 2HG2 VAL 9 2HG2 VAL 9 -4.546 10.374 0.860 67 3HG2 VAL 9 3HG2 VAL 9 -3.605 9.433 -0.313 68 H VAL 10 H VAL 10 0.145 7.060 1.102 69 HA VAL 10 HA VAL 10 0.558 5.916 3.785 70 HB VAL 10 HB VAL 10 2.631 5.037 2.627 71 1HG1 VAL 10 1HG1 VAL 10 0.640 3.672 3.100 72 2HG1 VAL 10 2HG1 VAL 10 -0.105 4.191 1.584 73 3HG1 VAL 10 3HG1 VAL 10 1.375 3.210 1.558 74 1HG2 VAL 10 1HG2 VAL 10 2.641 4.856 0.226 75 2HG2 VAL 10 2HG2 VAL 10 1.092 5.681 0.090 76 3HG2 VAL 10 3HG2 VAL 10 2.523 6.590 0.596 77 H ARG 11 H ARG 11 0.709 7.889 4.960 78 HA ARG 11 HA ARG 11 2.477 9.966 3.956 79 1HB ARG 11 2HB ARG 11 1.427 9.710 6.793 80 2HB ARG 11 3HB ARG 11 2.103 11.127 6.004 81 1HG ARG 11 2HG ARG 11 0.204 11.205 4.426 82 2HG ARG 11 3HG ARG 11 -0.479 9.734 5.137 83 1HD ARG 11 2HD ARG 11 -1.607 11.741 5.987 84 2HD ARG 11 3HD ARG 11 -0.851 10.804 7.262 85 HE ARG 11 HE ARG 11 0.113 13.392 6.065 86 1HH1 ARG 11 2HH2 ARG 11 0.119 11.222 8.922 87 2HH1 ARG 11 1HH2 ARG 11 1.601 11.702 9.466 88 1HH2 ARG 11 2HH1 ARG 11 1.865 14.477 7.144 89 2HH2 ARG 11 1HH1 ARG 11 2.336 13.945 8.734 90 H GLY 12 H GLY 12 4.625 10.192 4.272 91 1HA GLY 12 2HA GLY 12 6.449 10.091 5.987 92 2HA GLY 12 1HA GLY 12 6.067 8.379 6.177 93 H MET 13 H MET 13 5.609 7.615 3.474 94 HA MET 13 HA MET 13 8.323 7.171 2.761 95 1HB MET 13 2HB MET 13 7.410 6.042 0.778 96 2HB MET 13 3HB MET 13 6.704 5.495 2.291 97 1HG MET 13 2HG MET 13 4.644 6.078 1.672 98 2HG MET 13 3HG MET 13 5.111 7.646 1.046 99 1HE MET 13 1HE MET 13 6.379 7.921 -1.210 100 2HE MET 13 2HE MET 13 7.328 6.428 -1.382 101 3HE MET 13 3HE MET 13 6.129 6.855 -2.621 102 H THR 14 H THR 14 9.708 8.332 1.522 103 HA THR 14 HA THR 14 8.628 10.532 -0.185 104 HB THR 14 HB THR 14 8.861 11.324 2.127 105 HG1 THR 14 1HG THR 14 10.605 12.314 0.146 106 1HG2 THR 14 1HG2 THR 14 10.723 9.897 2.913 107 2HG2 THR 14 2HG2 THR 14 11.839 10.725 1.802 108 3HG2 THR 14 3HG2 THR 14 11.076 11.616 3.131 109 H CYS 15 H CYS 15 10.656 7.904 -0.370 110 HA CYS 15 HA CYS 15 11.977 9.045 -2.659 111 1HB CYS 15 2HB CYS 15 14.300 8.329 -1.703 112 2HB CYS 15 3HB CYS 15 13.647 9.922 -1.353 113 H ALA 16 H ALA 16 13.360 7.402 -3.695 114 HA ALA 16 HA ALA 16 12.006 5.155 -4.407 115 1HB ALA 16 1HB ALA 16 14.140 4.300 -5.294 116 2HB ALA 16 2HB ALA 16 13.941 6.032 -5.617 117 3HB ALA 16 3HB ALA 16 15.030 5.491 -4.320 118 H SER 17 H SER 17 14.507 5.369 -1.872 119 HA SER 17 HA SER 17 14.801 2.861 -0.890 120 1HB SER 17 2HB SER 17 14.398 5.393 0.747 121 2HB SER 17 3HB SER 17 15.393 3.983 1.161 122 HG SER 17 HG SER 17 16.668 4.476 -0.705 123 H CYS 18 H CYS 18 12.063 5.093 -0.190 124 HA CYS 18 HA CYS 18 10.735 3.189 1.581 125 1HB CYS 18 2HB CYS 18 9.696 5.758 0.358 126 2HB CYS 18 3HB CYS 18 9.018 4.820 1.697 127 H VAL 19 H VAL 19 10.326 4.507 -1.733 128 HA VAL 19 HA VAL 19 7.823 3.491 -2.350 129 HB VAL 19 HB VAL 19 10.270 3.833 -4.128 130 1HG1 VAL 19 1HG1 VAL 19 8.816 3.937 -6.065 131 2HG1 VAL 19 2HG1 VAL 19 8.702 2.346 -5.314 132 3HG1 VAL 19 3HG1 VAL 19 7.407 3.535 -5.082 133 1HG2 VAL 19 1HG2 VAL 19 9.409 5.885 -2.976 134 2HG2 VAL 19 2HG2 VAL 19 9.326 5.956 -4.741 135 3HG2 VAL 19 3HG2 VAL 19 7.857 5.633 -3.795 136 H HIS 20 H HIS 20 10.993 1.974 -3.075 137 HA HIS 20 HA HIS 20 9.741 -0.415 -3.987 138 1HB HIS 20 2HB HIS 20 11.959 -1.223 -4.313 139 2HB HIS 20 3HB HIS 20 11.718 0.419 -4.921 140 HD1 HIS 20 1HD HIS 20 14.259 0.957 -5.004 141 HD2 HIS 20 2HD HIS 20 12.826 -0.234 -1.244 142 HE1 HIS 20 1HE HIS 20 16.177 1.279 -3.350 143 H LYS 21 H LYS 21 10.524 0.652 -0.755 144 HA LYS 21 HA LYS 21 10.726 -2.035 0.381 145 1HB LYS 21 2HB LYS 21 10.330 0.734 1.562 146 2HB LYS 21 3HB LYS 21 10.069 -0.703 2.531 147 1HG LYS 21 2HG LYS 21 12.661 -0.327 1.016 148 2HG LYS 21 3HG LYS 21 12.352 0.480 2.560 149 1HD LYS 21 2HD LYS 21 11.901 -1.747 3.627 150 2HD LYS 21 3HD LYS 21 12.188 -2.544 2.079 151 1HE LYS 21 2HE LYS 21 14.160 -2.734 3.501 152 2HE LYS 21 3HE LYS 21 14.523 -1.792 2.046 153 1HZ LYS 21 1HZ LYS 21 15.438 -0.810 4.043 154 2HZ LYS 21 2HZ LYS 21 14.345 0.201 3.350 155 3HZ LYS 21 3HZ LYS 21 13.940 -0.647 4.703 156 H ILE 22 H ILE 22 8.181 0.532 0.089 157 HA ILE 22 HA ILE 22 6.130 -1.107 1.202 158 HB ILE 22 HB ILE 22 5.725 1.026 -0.927 159 1HG1 ILE 22 2HG1 ILE 22 6.004 1.206 2.087 160 2HG1 ILE 22 3HG1 ILE 22 6.909 2.069 0.822 161 1HG2 ILE 22 1HG2 ILE 22 3.415 1.080 0.110 162 2HG2 ILE 22 2HG2 ILE 22 3.782 -0.504 -0.549 163 3HG2 ILE 22 3HG2 ILE 22 3.909 -0.210 1.200 164 1HD1 ILE 22 1HD1 ILE 22 5.430 3.639 1.754 165 2HD1 ILE 22 2HD1 ILE 22 4.771 3.209 0.163 166 3HD1 ILE 22 3HD1 ILE 22 4.041 2.556 1.657 167 H GLU 23 H GLU 23 6.958 -0.565 -2.286 168 HA GLU 23 HA GLU 23 5.079 -2.380 -3.271 169 1HB GLU 23 2HB GLU 23 7.754 -1.525 -4.429 170 2HB GLU 23 3HB GLU 23 6.509 -2.404 -5.330 171 1HG GLU 23 2HG GLU 23 4.877 -0.655 -4.918 172 2HG GLU 23 3HG GLU 23 6.000 0.267 -3.922 173 H SER 24 H SER 24 8.539 -3.168 -2.549 174 HA SER 24 HA SER 24 8.288 -5.916 -3.200 175 1HB SER 24 2HB SER 24 10.174 -4.674 -1.159 176 2HB SER 24 3HB SER 24 10.353 -6.237 -1.981 177 HG SER 24 HG SER 24 10.468 -3.635 -3.081 178 H SER 25 H SER 25 7.820 -4.213 -0.066 179 HA SER 25 HA SER 25 7.560 -6.583 1.520 180 1HB SER 25 2HB SER 25 8.091 -4.314 2.387 181 2HB SER 25 3HB SER 25 6.453 -3.790 1.955 182 HG SER 25 HG SER 25 7.155 -5.835 3.817 183 H LEU 26 H LEU 26 5.119 -4.437 0.003 184 HA LEU 26 HA LEU 26 2.781 -5.771 0.838 185 1HB LEU 26 2HB LEU 26 3.586 -3.990 -1.449 186 2HB LEU 26 3HB LEU 26 2.110 -4.885 -1.640 187 HG LEU 26 HG LEU 26 1.816 -2.610 -0.742 188 1HD1 LEU 26 1HD1 LEU 26 0.063 -3.119 0.715 189 2HD1 LEU 26 2HD1 LEU 26 0.141 -4.484 -0.381 190 3HD1 LEU 26 3HD1 LEU 26 0.794 -4.638 1.262 191 1HD2 LEU 26 1HD2 LEU 26 3.727 -2.501 0.879 192 2HD2 LEU 26 2HD2 LEU 26 2.178 -2.135 1.628 193 3HD2 LEU 26 3HD2 LEU 26 2.933 -3.712 1.885 194 H THR 27 H THR 27 4.833 -6.437 -2.095 195 HA THR 27 HA THR 27 3.176 -8.579 -2.940 196 HB THR 27 HB THR 27 5.294 -9.269 -4.232 197 HG1 THR 27 1HG THR 27 6.586 -7.844 -2.620 198 1HG2 THR 27 1HG2 THR 27 5.037 -7.352 -5.762 199 2HG2 THR 27 2HG2 THR 27 3.455 -7.927 -5.200 200 3HG2 THR 27 3HG2 THR 27 4.163 -6.447 -4.511 201 H LYS 28 H LYS 28 4.818 -8.656 0.017 202 HA LYS 28 HA LYS 28 5.472 -11.439 0.087 203 1HB LYS 28 2HB LYS 28 5.305 -11.303 2.422 204 2HB LYS 28 3HB LYS 28 5.896 -9.721 1.919 205 1HG LYS 28 2HG LYS 28 3.468 -8.906 2.096 206 2HG LYS 28 3HG LYS 28 3.064 -10.488 2.811 207 1HD LYS 28 2HD LYS 28 4.456 -10.117 4.723 208 2HD LYS 28 3HD LYS 28 5.194 -8.706 3.954 209 1HE LYS 28 2HE LYS 28 3.707 -7.838 5.548 210 2HE LYS 28 3HE LYS 28 3.002 -7.527 3.956 211 1HZ LYS 28 1HZ LYS 28 1.461 -8.228 5.736 212 2HZ LYS 28 2HZ LYS 28 1.247 -9.075 4.437 213 3HZ LYS 28 3HZ LYS 28 2.085 -9.731 5.706 214 H HIS 29 H HIS 29 2.359 -9.637 0.180 215 HA HIS 29 HA HIS 29 1.177 -11.957 1.503 216 1HB HIS 29 2HB HIS 29 -0.626 -10.632 2.120 217 2HB HIS 29 3HB HIS 29 0.890 -9.830 2.482 218 HD1 HIS 29 1HD HIS 29 -2.019 -9.585 0.009 219 HD2 HIS 29 2HD HIS 29 0.992 -7.340 1.898 220 HE1 HIS 29 1HE HIS 29 -2.669 -7.102 -0.204 221 H ARG 30 H ARG 30 -0.442 -13.247 0.760 222 HA ARG 30 HA ARG 30 -1.076 -13.396 -2.044 223 1HB ARG 30 2HB ARG 30 -2.523 -14.547 0.387 224 2HB ARG 30 3HB ARG 30 -2.873 -14.937 -1.301 225 1HG ARG 30 2HG ARG 30 -0.423 -15.678 -1.533 226 2HG ARG 30 3HG ARG 30 -0.296 -15.511 0.222 227 1HD ARG 30 2HD ARG 30 -0.758 -17.819 -0.293 228 2HD ARG 30 3HD ARG 30 -2.192 -17.113 0.490 229 HE ARG 30 HE ARG 30 -2.355 -16.881 -2.377 230 1HH1 ARG 30 2HH2 ARG 30 -2.612 -19.295 0.170 231 2HH1 ARG 30 1HH2 ARG 30 -3.723 -20.325 -0.679 232 1HH2 ARG 30 2HH1 ARG 30 -3.848 -18.206 -3.547 233 2HH2 ARG 30 1HH1 ARG 30 -4.430 -19.684 -2.862 234 H GLY 31 H GLY 31 -3.378 -13.221 -2.807 235 1HA GLY 31 2HA GLY 31 -5.222 -12.031 -3.292 236 2HA GLY 31 1HA GLY 31 -5.268 -11.400 -1.653 237 H ILE 32 H ILE 32 -2.243 -10.257 -2.324 238 HA ILE 32 HA ILE 32 -3.221 -7.899 -3.679 239 HB ILE 32 HB ILE 32 -0.904 -8.475 -2.213 240 1HG1 ILE 32 2HG1 ILE 32 -1.619 -6.181 -4.078 241 2HG1 ILE 32 3HG1 ILE 32 -2.041 -6.381 -2.368 242 1HG2 ILE 32 1HG2 ILE 32 0.157 -9.507 -4.248 243 2HG2 ILE 32 2HG2 ILE 32 -0.062 -7.923 -5.066 244 3HG2 ILE 32 3HG2 ILE 32 0.989 -8.094 -3.643 245 1HD1 ILE 32 1HD1 ILE 32 0.738 -5.924 -3.554 246 2HD1 ILE 32 2HD1 ILE 32 -0.166 -4.856 -2.500 247 3HD1 ILE 32 3HD1 ILE 32 0.438 -6.399 -1.857 248 H LEU 33 H LEU 33 -3.200 -7.533 -5.808 249 HA LEU 33 HA LEU 33 -2.026 -9.537 -7.680 250 1HB LEU 33 2HB LEU 33 -4.035 -7.332 -8.237 251 2HB LEU 33 3HB LEU 33 -3.403 -8.555 -9.356 252 HG LEU 33 HG LEU 33 -5.243 -9.039 -6.997 253 1HD1 LEU 33 1HD1 LEU 33 -6.799 -9.739 -8.793 254 2HD1 LEU 33 2HD1 LEU 33 -6.243 -8.075 -9.041 255 3HD1 LEU 33 3HD1 LEU 33 -5.565 -9.391 -10.016 256 1HD2 LEU 33 1HD2 LEU 33 -5.311 -11.405 -7.831 257 2HD2 LEU 33 2HD2 LEU 33 -3.941 -11.043 -8.902 258 3HD2 LEU 33 3HD2 LEU 33 -3.750 -10.981 -7.133 259 H TYR 34 H TYR 34 -2.036 -6.018 -6.580 260 HA TYR 34 HA TYR 34 0.661 -5.877 -7.582 261 1HB TYR 34 2HB TYR 34 -0.695 -5.485 -9.681 262 2HB TYR 34 3HB TYR 34 -1.455 -4.114 -8.887 263 HD1 TYR 34 HD1 TYR 34 -0.587 -2.007 -9.399 264 HD2 TYR 34 HD2 TYR 34 1.974 -5.461 -9.656 265 HE1 TYR 34 HE1 TYR 34 1.195 -0.606 -10.382 266 HE2 TYR 34 HE2 TYR 34 3.793 -4.037 -10.575 267 HH TYR 34 HH TYR 34 3.400 -0.532 -11.123 268 H CYS 35 H CYS 35 1.705 -3.928 -6.906 269 HA CYS 35 HA CYS 35 0.183 -2.016 -5.242 270 1HB CYS 35 2HB CYS 35 1.590 -3.313 -3.600 271 2HB CYS 35 3HB CYS 35 2.994 -3.096 -4.661 272 HG CYS 35 HG CYS 35 3.282 -1.508 -2.694 273 H SER 36 H SER 36 0.754 0.109 -5.986 274 HA SER 36 HA SER 36 3.506 0.291 -6.325 275 1HB SER 36 2HB SER 36 3.173 -0.044 -8.704 276 2HB SER 36 3HB SER 36 2.036 1.324 -8.766 277 HG SER 36 HG SER 36 4.715 1.561 -7.812 278 H VAL 37 H VAL 37 4.347 2.330 -5.834 279 HA VAL 37 HA VAL 37 2.301 4.177 -4.700 280 HB VAL 37 HB VAL 37 3.496 4.266 -2.650 281 1HG1 VAL 37 1HG1 VAL 37 3.413 2.064 -1.824 282 2HG1 VAL 37 2HG1 VAL 37 2.252 2.003 -3.163 283 3HG1 VAL 37 3HG1 VAL 37 3.872 1.339 -3.364 284 1HG2 VAL 37 1HG2 VAL 37 5.828 4.314 -3.455 285 2HG2 VAL 37 2HG2 VAL 37 5.598 3.031 -2.248 286 3HG2 VAL 37 3HG2 VAL 37 5.680 2.605 -3.963 287 H ALA 38 H ALA 38 2.703 6.339 -4.607 288 HA ALA 38 HA ALA 38 5.065 7.317 -6.147 289 1HB ALA 38 1HB ALA 38 2.231 8.305 -6.540 290 2HB ALA 38 2HB ALA 38 3.738 8.973 -7.224 291 3HB ALA 38 3HB ALA 38 3.193 7.341 -7.695 292 H LEU 39 H LEU 39 6.081 8.843 -5.259 293 HA LEU 39 HA LEU 39 5.464 9.413 -2.515 294 1HB LEU 39 2HB LEU 39 7.731 10.127 -2.306 295 2HB LEU 39 3HB LEU 39 7.660 8.678 -3.296 296 HG LEU 39 HG LEU 39 7.626 10.544 -5.289 297 1HD1 LEU 39 1HD1 LEU 39 9.229 12.331 -4.735 298 2HD1 LEU 39 2HD1 LEU 39 7.836 12.467 -3.653 299 3HD1 LEU 39 3HD1 LEU 39 9.343 11.753 -3.063 300 1HD2 LEU 39 1HD2 LEU 39 10.063 10.128 -5.475 301 2HD2 LEU 39 2HD2 LEU 39 10.057 9.460 -3.827 302 3HD2 LEU 39 3HD2 LEU 39 9.157 8.645 -5.123 303 H ALA 40 H ALA 40 5.574 11.491 -5.398 304 HA ALA 40 HA ALA 40 5.541 13.999 -4.148 305 1HB ALA 40 1HB ALA 40 4.368 14.785 -6.174 306 2HB ALA 40 2HB ALA 40 5.690 13.675 -6.588 307 3HB ALA 40 3HB ALA 40 4.004 13.107 -6.629 308 H THR 41 H THR 41 2.889 11.680 -4.644 309 HA THR 41 HA THR 41 0.831 13.316 -3.342 310 HB THR 41 HB THR 41 -0.380 11.132 -4.124 311 HG1 THR 41 1HG THR 41 1.735 10.009 -4.471 312 1HG2 THR 41 1HG2 THR 41 0.936 12.966 -6.179 313 2HG2 THR 41 2HG2 THR 41 -0.493 11.944 -6.445 314 3HG2 THR 41 3HG2 THR 41 -0.572 13.293 -5.299 315 H ASN 42 H ASN 42 3.296 11.251 -2.304 316 HA ASN 42 HA ASN 42 3.534 9.463 -0.927 317 1HB ASN 42 2HB ASN 42 1.697 11.100 0.860 318 2HB ASN 42 3HB ASN 42 2.904 9.919 1.375 319 1HD2 ASN 42 1HD2 ASN 42 5.338 10.499 0.800 320 2HD2 ASN 42 2HD2 ASN 42 5.665 12.210 0.827 321 H LYS 43 H LYS 43 1.777 8.561 -2.785 322 HA LYS 43 HA LYS 43 -0.428 7.339 -1.187 323 1HB LYS 43 2HB LYS 43 -1.851 7.190 -3.001 324 2HB LYS 43 3HB LYS 43 -1.417 8.885 -2.780 325 1HG LYS 43 2HG LYS 43 -0.323 8.989 -4.814 326 2HG LYS 43 3HG LYS 43 0.207 7.317 -4.797 327 1HD LYS 43 2HD LYS 43 -1.400 7.686 -6.547 328 2HD LYS 43 3HD LYS 43 -2.049 6.559 -5.344 329 1HE LYS 43 2HE LYS 43 -3.430 8.349 -4.357 330 2HE LYS 43 3HE LYS 43 -2.744 9.550 -5.456 331 1HZ LYS 43 1HZ LYS 43 -3.916 7.172 -6.644 332 2HZ LYS 43 2HZ LYS 43 -4.974 8.087 -5.955 333 3HZ LYS 43 3HZ LYS 43 -4.028 8.743 -7.167 334 H ALA 44 H ALA 44 -0.931 5.207 -1.527 335 HA ALA 44 HA ALA 44 0.794 3.586 -3.335 336 1HB ALA 44 1HB ALA 44 1.406 3.121 -0.965 337 2HB ALA 44 2HB ALA 44 -0.307 2.899 -0.560 338 3HB ALA 44 3HB ALA 44 0.496 1.751 -1.642 339 H HIS 45 H HIS 45 -0.484 2.612 -4.936 340 HA HIS 45 HA HIS 45 -3.373 2.351 -4.299 341 1HB HIS 45 2HB HIS 45 -3.864 2.312 -6.524 342 2HB HIS 45 3HB HIS 45 -2.724 3.645 -6.378 343 HD1 HIS 45 1HD HIS 45 -0.765 3.523 -8.129 344 HD2 HIS 45 2HD HIS 45 -2.848 -0.062 -7.490 345 HE1 HIS 45 1HE HIS 45 -0.029 1.918 -9.981 346 H ILE 46 H ILE 46 -3.894 0.334 -3.679 347 HA ILE 46 HA ILE 46 -2.062 -1.898 -4.462 348 HB ILE 46 HB ILE 46 -4.090 -1.942 -2.213 349 1HG1 ILE 46 2HG1 ILE 46 -2.394 -0.617 -1.313 350 2HG1 ILE 46 3HG1 ILE 46 -2.062 -2.287 -0.792 351 1HG2 ILE 46 1HG2 ILE 46 -1.957 -3.874 -3.192 352 2HG2 ILE 46 2HG2 ILE 46 -2.951 -4.125 -1.738 353 3HG2 ILE 46 3HG2 ILE 46 -3.684 -4.108 -3.345 354 1HD1 ILE 46 1HD1 ILE 46 -0.284 -2.465 -2.490 355 2HD1 ILE 46 2HD1 ILE 46 -0.559 -0.766 -2.939 356 3HD1 ILE 46 3HD1 ILE 46 0.002 -1.166 -1.318 357 H LYS 47 H LYS 47 -2.853 -3.236 -5.851 358 HA LYS 47 HA LYS 47 -5.777 -3.356 -6.448 359 1HB LYS 47 2HB LYS 47 -3.445 -4.513 -8.017 360 2HB LYS 47 3HB LYS 47 -5.137 -4.455 -8.458 361 1HG LYS 47 2HG LYS 47 -4.773 -1.781 -8.241 362 2HG LYS 47 3HG LYS 47 -3.076 -2.194 -8.218 363 1HD LYS 47 2HD LYS 47 -3.375 -1.804 -10.477 364 2HD LYS 47 3HD LYS 47 -3.551 -3.556 -10.407 365 1HE LYS 47 2HE LYS 47 -5.735 -1.438 -10.723 366 2HE LYS 47 3HE LYS 47 -5.251 -2.689 -11.870 367 1HZ LYS 47 1HZ LYS 47 -6.717 -3.146 -9.328 368 2HZ LYS 47 2HZ LYS 47 -7.264 -3.463 -10.827 369 3HZ LYS 47 3HZ LYS 47 -6.101 -4.350 -10.260 370 H TYR 48 H TYR 48 -6.430 -4.695 -4.757 371 HA TYR 48 HA TYR 48 -5.213 -7.359 -4.622 372 1HB TYR 48 2HB TYR 48 -5.480 -7.447 -2.237 373 2HB TYR 48 3HB TYR 48 -4.517 -6.033 -2.575 374 HD1 TYR 48 HD1 TYR 48 -5.603 -3.716 -2.309 375 HD2 TYR 48 HD2 TYR 48 -7.711 -7.322 -1.277 376 HE1 TYR 48 HE1 TYR 48 -6.832 -2.510 -0.547 377 HE2 TYR 48 HE2 TYR 48 -9.020 -6.080 0.400 378 HH TYR 48 HH TYR 48 -9.420 -4.043 1.369 379 H ASP 49 H ASP 49 -6.723 -8.996 -4.042 380 HA ASP 49 HA ASP 49 -9.381 -8.593 -5.100 381 1HB ASP 49 2HB ASP 49 -8.134 -10.957 -3.629 382 2HB ASP 49 3HB ASP 49 -9.660 -10.986 -4.522 383 HA PRO 50 HA PRO 50 -10.539 -7.285 -0.879 384 1HB PRO 50 2HB PRO 50 -12.884 -6.020 -1.356 385 2HB PRO 50 3HB PRO 50 -11.347 -5.393 -2.009 386 1HG PRO 50 2HG PRO 50 -13.324 -7.196 -3.459 387 2HG PRO 50 3HG PRO 50 -12.703 -5.608 -4.007 388 1HD PRO 50 2HD PRO 50 -11.527 -7.920 -4.809 389 2HD PRO 50 3HD PRO 50 -10.560 -6.481 -4.401 390 H GLU 51 H GLU 51 -10.632 -9.878 -1.021 391 HA GLU 51 HA GLU 51 -13.310 -10.712 -0.006 392 1HB GLU 51 2HB GLU 51 -11.588 -12.353 -1.937 393 2HB GLU 51 3HB GLU 51 -13.158 -12.779 -1.246 394 1HG GLU 51 2HG GLU 51 -14.094 -10.712 -2.401 395 2HG GLU 51 3HG GLU 51 -12.537 -10.544 -3.229 396 H ILE 52 H ILE 52 -10.059 -12.142 -0.525 397 HA ILE 52 HA ILE 52 -10.230 -13.354 2.155 398 HB ILE 52 HB ILE 52 -8.442 -14.767 1.469 399 1HG1 ILE 52 2HG1 ILE 52 -7.913 -14.481 -1.204 400 2HG1 ILE 52 3HG1 ILE 52 -7.990 -12.788 -0.732 401 1HG2 ILE 52 1HG2 ILE 52 -9.550 -15.973 -0.308 402 2HG2 ILE 52 2HG2 ILE 52 -10.769 -15.279 0.772 403 3HG2 ILE 52 3HG2 ILE 52 -10.450 -14.529 -0.807 404 1HD1 ILE 52 1HD1 ILE 52 -6.241 -14.987 0.473 405 2HD1 ILE 52 2HD1 ILE 52 -5.700 -13.630 -0.531 406 3HD1 ILE 52 3HD1 ILE 52 -6.307 -13.335 1.112 407 H ILE 53 H ILE 53 -8.202 -10.978 0.503 408 HA ILE 53 HA ILE 53 -6.558 -10.694 2.975 409 HB ILE 53 HB ILE 53 -5.573 -11.119 0.705 410 1HG1 ILE 53 2HG1 ILE 53 -4.128 -10.506 2.459 411 2HG1 ILE 53 3HG1 ILE 53 -3.722 -9.580 1.017 412 1HG2 ILE 53 1HG2 ILE 53 -6.199 -8.196 0.191 413 2HG2 ILE 53 2HG2 ILE 53 -5.152 -9.231 -0.759 414 3HG2 ILE 53 3HG2 ILE 53 -6.886 -9.588 -0.679 415 1HD1 ILE 53 1HD1 ILE 53 -5.107 -7.671 1.991 416 2HD1 ILE 53 2HD1 ILE 53 -5.010 -8.603 3.515 417 3HD1 ILE 53 3HD1 ILE 53 -3.529 -8.045 2.686 418 H GLY 54 H GLY 54 -7.148 -9.206 4.367 419 1HA GLY 54 2HA GLY 54 -9.222 -7.234 3.682 420 2HA GLY 54 1HA GLY 54 -8.558 -7.586 5.285 421 HA PRO 55 HA PRO 55 -6.570 -3.596 3.422 422 1HB PRO 55 2HB PRO 55 -7.732 -1.826 5.157 423 2HB PRO 55 3HB PRO 55 -8.385 -2.235 3.550 424 1HG PRO 55 2HG PRO 55 -9.203 -3.400 6.220 425 2HG PRO 55 3HG PRO 55 -10.263 -2.769 4.928 426 1HD PRO 55 2HD PRO 55 -9.791 -5.418 5.172 427 2HD PRO 55 3HD PRO 55 -9.855 -4.673 3.550 428 H ARG 56 H ARG 56 -7.369 -5.061 6.544 429 HA ARG 56 HA ARG 56 -5.531 -3.779 8.176 430 1HB ARG 56 2HB ARG 56 -6.652 -6.596 8.353 431 2HB ARG 56 3HB ARG 56 -5.695 -5.808 9.622 432 1HG ARG 56 2HG ARG 56 -7.302 -3.905 9.661 433 2HG ARG 56 3HG ARG 56 -8.330 -4.757 8.491 434 1HD ARG 56 2HD ARG 56 -8.606 -6.617 10.094 435 2HD ARG 56 3HD ARG 56 -7.547 -5.766 11.253 436 HE ARG 56 HE ARG 56 -9.601 -3.980 10.523 437 1HH1 ARG 56 2HH2 ARG 56 -9.249 -7.009 12.274 438 2HH1 ARG 56 1HH2 ARG 56 -10.617 -6.771 13.318 439 1HH2 ARG 56 2HH1 ARG 56 -11.428 -3.602 11.888 440 2HH2 ARG 56 1HH1 ARG 56 -11.885 -4.764 13.087 441 H ASP 57 H ASP 57 -4.759 -6.793 6.159 442 HA ASP 57 HA ASP 57 -2.180 -6.920 7.469 443 1HB ASP 57 2HB ASP 57 -2.891 -8.914 6.304 444 2HB ASP 57 3HB ASP 57 -2.924 -8.042 4.762 445 H ILE 58 H ILE 58 -3.225 -5.475 4.347 446 HA ILE 58 HA ILE 58 -0.803 -4.361 3.489 447 HB ILE 58 HB ILE 58 -3.610 -3.180 3.442 448 1HG1 ILE 58 2HG1 ILE 58 -2.119 -4.370 1.098 449 2HG1 ILE 58 3HG1 ILE 58 -3.107 -5.377 2.172 450 1HG2 ILE 58 1HG2 ILE 58 -1.013 -2.181 2.297 451 2HG2 ILE 58 2HG2 ILE 58 -2.538 -1.779 1.503 452 3HG2 ILE 58 3HG2 ILE 58 -2.266 -1.303 3.179 453 1HD1 ILE 58 1HD1 ILE 58 -4.130 -2.922 0.678 454 2HD1 ILE 58 2HD1 ILE 58 -4.458 -4.631 0.298 455 3HD1 ILE 58 3HD1 ILE 58 -5.048 -3.913 1.813 456 H ILE 59 H ILE 59 -3.253 -2.865 5.662 457 HA ILE 59 HA ILE 59 -1.765 -0.560 6.076 458 HB ILE 59 HB ILE 59 -4.059 -1.870 7.436 459 1HG1 ILE 59 2HG1 ILE 59 -3.824 0.909 6.247 460 2HG1 ILE 59 3HG1 ILE 59 -4.133 -0.541 5.284 461 1HG2 ILE 59 1HG2 ILE 59 -2.964 -0.987 9.403 462 2HG2 ILE 59 2HG2 ILE 59 -2.669 0.565 8.612 463 3HG2 ILE 59 3HG2 ILE 59 -4.316 0.061 9.017 464 1HD1 ILE 59 1HD1 ILE 59 -5.880 0.555 7.504 465 2HD1 ILE 59 2HD1 ILE 59 -6.236 0.451 5.769 466 3HD1 ILE 59 3HD1 ILE 59 -6.100 -1.039 6.738 467 H HIS 60 H HIS 60 -1.983 -3.456 8.226 468 HA HIS 60 HA HIS 60 -0.156 -2.412 10.150 469 1HB HIS 60 2HB HIS 60 -0.952 -5.278 9.576 470 2HB HIS 60 3HB HIS 60 -0.096 -4.712 11.021 471 HD1 HIS 60 1HD HIS 60 -1.865 -2.058 11.560 472 HD2 HIS 60 2HD HIS 60 -3.302 -5.915 10.617 473 HE1 HIS 60 1HE HIS 60 -4.291 -2.156 12.335 474 H THR 61 H THR 61 0.333 -4.228 7.204 475 HA THR 61 HA THR 61 3.125 -4.826 7.495 476 HB THR 61 HB THR 61 1.318 -4.343 5.098 477 HG1 THR 61 1HG THR 61 0.822 -6.229 6.116 478 1HG2 THR 61 1HG2 THR 61 4.144 -5.442 5.000 479 2HG2 THR 61 2HG2 THR 61 2.967 -5.351 3.665 480 3HG2 THR 61 3HG2 THR 61 3.628 -3.866 4.359 481 H ILE 62 H ILE 62 1.416 -1.976 6.051 482 HA ILE 62 HA ILE 62 3.867 -0.573 5.528 483 HB ILE 62 HB ILE 62 0.986 0.348 5.665 484 1HG1 ILE 62 2HG1 ILE 62 2.786 -0.130 3.248 485 2HG1 ILE 62 3HG1 ILE 62 1.749 -1.395 3.893 486 1HG2 ILE 62 1HG2 ILE 62 3.459 1.752 4.576 487 2HG2 ILE 62 2HG2 ILE 62 1.810 2.352 4.409 488 3HG2 ILE 62 3HG2 ILE 62 2.533 2.265 6.003 489 1HD1 ILE 62 1HD1 ILE 62 0.611 -0.353 2.050 490 2HD1 ILE 62 2HD1 ILE 62 -0.247 0.039 3.553 491 3HD1 ILE 62 3HD1 ILE 62 0.783 1.251 2.762 492 H GLU 63 H GLU 63 1.582 -0.463 8.294 493 HA GLU 63 HA GLU 63 2.862 1.583 9.784 494 1HB GLU 63 2HB GLU 63 1.397 -0.920 10.690 495 2HB GLU 63 3HB GLU 63 1.870 0.390 11.767 496 1HG GLU 63 2HG GLU 63 0.479 1.992 10.635 497 2HG GLU 63 3HG GLU 63 0.089 0.868 9.339 498 H SER 64 H SER 64 3.519 -1.957 9.604 499 HA SER 64 HA SER 64 5.689 -1.945 11.443 500 1HB SER 64 2HB SER 64 5.264 -3.826 9.085 501 2HB SER 64 3HB SER 64 6.335 -4.075 10.469 502 HG SER 64 HG SER 64 3.506 -3.787 10.560 503 H LEU 65 H LEU 65 5.659 -1.399 7.871 504 HA LEU 65 HA LEU 65 8.511 -1.036 7.642 505 1HB LEU 65 2HB LEU 65 6.282 0.313 6.067 506 2HB LEU 65 3HB LEU 65 7.992 0.343 5.650 507 HG LEU 65 HG LEU 65 6.289 -2.181 5.775 508 1HD1 LEU 65 1HD1 LEU 65 7.364 -0.642 3.381 509 2HD1 LEU 65 2HD1 LEU 65 6.342 -2.096 3.365 510 3HD1 LEU 65 3HD1 LEU 65 5.683 -0.568 3.953 511 1HD2 LEU 65 1HD2 LEU 65 8.631 -2.738 6.208 512 2HD2 LEU 65 2HD2 LEU 65 8.231 -3.186 4.552 513 3HD2 LEU 65 3HD2 LEU 65 9.161 -1.707 4.857 514 H GLY 66 H GLY 66 5.886 1.199 8.495 515 1HA GLY 66 2HA GLY 66 6.263 2.776 10.274 516 2HA GLY 66 1HA GLY 66 7.909 3.058 9.707 517 H PHE 67 H PHE 67 4.756 2.938 7.949 518 HA PHE 67 HA PHE 67 4.884 5.872 7.522 519 1HB PHE 67 2HB PHE 67 3.965 3.997 5.340 520 2HB PHE 67 3HB PHE 67 4.333 5.705 5.227 521 HD1 PHE 67 1HD PHE 67 6.953 6.228 5.967 522 HD2 PHE 67 2HD PHE 67 5.519 2.472 4.422 523 HE1 PHE 67 1HE PHE 67 9.198 5.748 5.023 524 HE2 PHE 67 2HE PHE 67 7.771 1.975 3.540 525 HZ PHE 67 HZ PHE 67 9.598 3.619 3.795 526 H GLU 68 H GLU 68 2.612 6.707 7.125 527 HA GLU 68 HA GLU 68 0.670 5.144 8.702 528 1HB GLU 68 2HB GLU 68 0.531 7.964 7.633 529 2HB GLU 68 3HB GLU 68 -0.475 7.224 8.855 530 1HG GLU 68 2HG GLU 68 1.369 7.247 10.452 531 2HG GLU 68 3HG GLU 68 2.525 7.732 9.193 532 HA PRO 69 HA PRO 69 -1.022 4.461 4.400 533 1HB PRO 69 2HB PRO 69 -2.245 2.087 4.726 534 2HB PRO 69 3HB PRO 69 -0.471 2.211 4.715 535 1HG PRO 69 2HG PRO 69 -2.278 2.164 7.131 536 2HG PRO 69 3HG PRO 69 -0.852 1.134 6.816 537 1HD PRO 69 2HD PRO 69 -0.682 3.364 8.344 538 2HD PRO 69 3HD PRO 69 0.631 2.854 7.245 539 H SER 70 H SER 70 -2.143 6.428 5.034 540 HA SER 70 HA SER 70 -4.579 6.272 6.595 541 1HB SER 70 2HB SER 70 -3.527 8.580 4.912 542 2HB SER 70 3HB SER 70 -4.599 8.653 6.318 543 HG SER 70 HG SER 70 -1.877 7.760 6.304 544 H LEU 71 H LEU 71 -6.305 5.228 5.616 545 HA LEU 71 HA LEU 71 -6.667 5.129 2.771 546 1HB LEU 71 2HB LEU 71 -8.684 3.916 3.201 547 2HB LEU 71 3HB LEU 71 -7.339 3.238 4.088 548 HG LEU 71 HG LEU 71 -9.132 5.132 5.594 549 1HD1 LEU 71 1HD1 LEU 71 -9.826 2.251 4.862 550 2HD1 LEU 71 2HD1 LEU 71 -10.690 3.253 6.050 551 3HD1 LEU 71 3HD1 LEU 71 -10.705 3.706 4.339 552 1HD2 LEU 71 1HD2 LEU 71 -7.190 4.088 6.790 553 2HD2 LEU 71 2HD2 LEU 71 -8.722 3.481 7.407 554 3HD2 LEU 71 3HD2 LEU 71 -7.763 2.485 6.299 555 H VAL 72 H VAL 72 -6.502 7.637 2.767 556 HA VAL 72 HA VAL 72 -9.209 8.874 2.814 557 HB VAL 72 HB VAL 72 -6.513 10.259 2.598 558 1HG1 VAL 72 1HG1 VAL 72 -7.796 12.228 3.341 559 2HG1 VAL 72 2HG1 VAL 72 -8.538 11.576 1.881 560 3HG1 VAL 72 3HG1 VAL 72 -9.275 11.255 3.460 561 1HG2 VAL 72 1HG2 VAL 72 -6.802 10.817 5.016 562 2HG2 VAL 72 2HG2 VAL 72 -8.153 9.667 5.099 563 3HG2 VAL 72 3HG2 VAL 72 -6.505 9.099 4.753 564 H LYS 73 H LYS 73 -9.084 7.088 0.933 565 HA LYS 73 HA LYS 73 -9.156 6.652 -1.281 566 1HB LYS 73 2HB LYS 73 -10.534 8.225 -2.529 567 2HB LYS 73 3HB LYS 73 -11.110 7.998 -0.886 568 1HG LYS 73 2HG LYS 73 -10.114 10.175 -0.199 569 2HG LYS 73 3HG LYS 73 -9.559 10.441 -1.855 570 1HD LYS 73 2HD LYS 73 -12.090 10.091 -2.463 571 2HD LYS 73 3HD LYS 73 -12.370 10.313 -0.732 572 1HE LYS 73 2HE LYS 73 -11.169 12.271 -2.747 573 2HE LYS 73 3HE LYS 73 -12.664 12.462 -1.821 574 1HZ LYS 73 1HZ LYS 73 -11.141 12.576 0.192 575 2HZ LYS 73 2HZ LYS 73 -9.878 12.603 -0.877 576 3HZ LYS 73 3HZ LYS 73 -10.931 13.801 -0.900 577 H ILE 74 H ILE 74 -8.870 9.079 -3.272 578 HA ILE 74 HA ILE 74 -6.214 8.615 -4.174 579 HB ILE 74 HB ILE 74 -8.193 10.908 -4.599 580 1HG1 ILE 74 2HG1 ILE 74 -7.538 8.700 -6.569 581 2HG1 ILE 74 3HG1 ILE 74 -8.827 8.532 -5.375 582 1HG2 ILE 74 1HG2 ILE 74 -5.671 10.304 -6.196 583 2HG2 ILE 74 2HG2 ILE 74 -6.878 11.536 -6.591 584 3HG2 ILE 74 3HG2 ILE 74 -5.912 11.706 -5.139 585 1HD1 ILE 74 1HD1 ILE 74 -9.800 9.288 -7.427 586 2HD1 ILE 74 2HD1 ILE 74 -9.902 10.607 -6.248 587 3HD1 ILE 74 3HD1 ILE 74 -8.687 10.656 -7.545 588 H GLU 75 H GLU 75 -7.611 11.560 -2.786 589 HA GLU 75 HA GLU 75 -5.744 12.011 -0.692 590 1HB GLU 75 2HB GLU 75 -6.094 13.978 -3.031 591 2HB GLU 75 3HB GLU 75 -5.330 14.360 -1.485 592 1HG GLU 75 2HG GLU 75 -3.493 12.791 -1.958 593 2HG GLU 75 3HG GLU 75 -4.267 12.297 -3.470 Start of MODEL 4 1 1H MET 1 H1 MET 1 -12.887 -8.111 -11.772 2 2H MET 1 H2 MET 1 -13.803 -7.333 -12.926 3 3H MET 1 H3 MET 1 -13.490 -6.717 -11.403 4 HA MET 1 HA MET 1 -15.792 -7.720 -11.715 5 1HB MET 1 2HB MET 1 -14.037 -10.215 -11.634 6 2HB MET 1 3HB MET 1 -15.788 -10.202 -11.332 7 1HG MET 1 2HG MET 1 -16.234 -9.431 -13.590 8 2HG MET 1 3HG MET 1 -14.507 -9.239 -13.916 9 1HE MET 1 1HE MET 1 -16.182 -12.368 -12.058 10 2HE MET 1 2HE MET 1 -17.386 -11.833 -13.262 11 3HE MET 1 3HE MET 1 -16.519 -13.370 -13.481 12 H GLY 2 H GLY 2 -14.379 -10.069 -9.570 13 1HA GLY 2 2HA GLY 2 -15.189 -8.522 -7.212 14 2HA GLY 2 1HA GLY 2 -14.487 -10.147 -7.268 15 H ASP 3 H ASP 3 -13.597 -6.762 -8.086 16 HA ASP 3 HA ASP 3 -11.009 -6.816 -6.773 17 1HB ASP 3 2HB ASP 3 -9.778 -6.567 -9.004 18 2HB ASP 3 3HB ASP 3 -10.386 -8.180 -8.650 19 H GLY 4 H GLY 4 -9.785 -4.756 -7.899 20 1HA GLY 4 2HA GLY 4 -11.009 -2.560 -8.942 21 2HA GLY 4 1HA GLY 4 -11.516 -2.526 -7.235 22 H VAL 5 H VAL 5 -10.234 -0.707 -6.674 23 HA VAL 5 HA VAL 5 -7.508 -1.393 -5.994 24 HB VAL 5 HB VAL 5 -7.100 -0.540 -8.211 25 1HG1 VAL 5 1HG1 VAL 5 -7.625 1.707 -8.948 26 2HG1 VAL 5 2HG1 VAL 5 -9.120 0.828 -8.594 27 3HG1 VAL 5 3HG1 VAL 5 -8.508 2.047 -7.453 28 1HG2 VAL 5 1HG2 VAL 5 -6.367 1.678 -6.255 29 2HG2 VAL 5 2HG2 VAL 5 -5.549 0.106 -6.298 30 3HG2 VAL 5 3HG2 VAL 5 -5.499 1.171 -7.717 31 H LEU 6 H LEU 6 -6.975 -0.504 -4.065 32 HA LEU 6 HA LEU 6 -8.625 1.736 -3.009 33 1HB LEU 6 2HB LEU 6 -8.793 -0.228 -1.585 34 2HB LEU 6 3HB LEU 6 -7.032 -0.451 -1.632 35 HG LEU 6 HG LEU 6 -6.732 1.692 -0.438 36 1HD1 LEU 6 1HD1 LEU 6 -8.677 2.727 0.725 37 2HD1 LEU 6 2HD1 LEU 6 -8.871 2.855 -1.022 38 3HD1 LEU 6 3HD1 LEU 6 -9.776 1.623 -0.125 39 1HD2 LEU 6 1HD2 LEU 6 -6.789 -0.443 0.793 40 2HD2 LEU 6 2HD2 LEU 6 -7.396 0.910 1.760 41 3HD2 LEU 6 3HD2 LEU 6 -8.541 -0.241 1.049 42 H GLU 7 H GLU 7 -7.291 3.475 -2.160 43 HA GLU 7 HA GLU 7 -4.406 3.262 -2.680 44 1HB GLU 7 2HB GLU 7 -5.977 5.855 -2.887 45 2HB GLU 7 3HB GLU 7 -4.252 5.601 -3.125 46 1HG GLU 7 2HG GLU 7 -4.801 4.114 -5.093 47 2HG GLU 7 3HG GLU 7 -6.477 4.656 -4.970 48 H LEU 8 H LEU 8 -3.156 4.254 -1.117 49 HA LEU 8 HA LEU 8 -4.488 5.392 1.233 50 1HB LEU 8 2HB LEU 8 -2.876 3.947 2.694 51 2HB LEU 8 3HB LEU 8 -4.440 3.302 2.261 52 HG LEU 8 HG LEU 8 -2.096 2.700 0.484 53 1HD1 LEU 8 1HD1 LEU 8 -1.573 0.728 1.834 54 2HD1 LEU 8 2HD1 LEU 8 -1.316 2.216 2.759 55 3HD1 LEU 8 3HD1 LEU 8 -2.770 1.217 3.048 56 1HD2 LEU 8 1HD2 LEU 8 -4.232 1.801 -0.347 57 2HD2 LEU 8 2HD2 LEU 8 -3.401 0.444 0.389 58 3HD2 LEU 8 3HD2 LEU 8 -4.685 1.253 1.278 59 H VAL 9 H VAL 9 -3.377 7.026 1.968 60 HA VAL 9 HA VAL 9 -1.017 7.929 0.500 61 HB VAL 9 HB VAL 9 -2.498 9.348 2.727 62 1HG1 VAL 9 1HG1 VAL 9 -1.427 11.334 1.766 63 2HG1 VAL 9 2HG1 VAL 9 -0.181 10.152 2.201 64 3HG1 VAL 9 3HG1 VAL 9 -0.664 10.350 0.503 65 1HG2 VAL 9 1HG2 VAL 9 -2.906 9.481 -0.291 66 2HG2 VAL 9 2HG2 VAL 9 -4.089 8.910 0.906 67 3HG2 VAL 9 3HG2 VAL 9 -3.603 10.608 0.892 68 H VAL 10 H VAL 10 0.813 6.971 1.158 69 HA VAL 10 HA VAL 10 1.110 5.719 3.804 70 HB VAL 10 HB VAL 10 3.198 4.840 2.697 71 1HG1 VAL 10 1HG1 VAL 10 1.132 3.521 3.041 72 2HG1 VAL 10 2HG1 VAL 10 0.504 4.085 1.484 73 3HG1 VAL 10 3HG1 VAL 10 1.955 3.063 1.541 74 1HG2 VAL 10 1HG2 VAL 10 3.257 6.458 0.739 75 2HG2 VAL 10 2HG2 VAL 10 3.320 4.751 0.290 76 3HG2 VAL 10 3HG2 VAL 10 1.819 5.635 0.101 77 H ARG 11 H ARG 11 1.190 7.751 4.963 78 HA ARG 11 HA ARG 11 3.180 9.738 4.114 79 1HB ARG 11 2HB ARG 11 1.639 9.593 6.730 80 2HB ARG 11 3HB ARG 11 2.647 10.919 6.159 81 1HG ARG 11 2HG ARG 11 1.133 11.241 4.209 82 2HG ARG 11 3HG ARG 11 0.113 9.911 4.788 83 1HD ARG 11 2HD ARG 11 -0.833 12.091 5.415 84 2HD ARG 11 3HD ARG 11 -0.438 11.127 6.827 85 HE ARG 11 HE ARG 11 1.016 13.523 5.757 86 1HH1 ARG 11 2HH2 ARG 11 0.496 11.320 8.543 87 2HH1 ARG 11 1HH2 ARG 11 1.857 11.774 9.358 88 1HH2 ARG 11 2HH1 ARG 11 2.649 14.498 7.097 89 2HH2 ARG 11 1HH1 ARG 11 2.864 13.916 8.722 90 H GLY 12 H GLY 12 5.190 10.112 4.987 91 1HA GLY 12 2HA GLY 12 6.673 9.761 6.985 92 2HA GLY 12 1HA GLY 12 6.324 8.035 6.833 93 H MET 13 H MET 13 6.324 7.797 3.954 94 HA MET 13 HA MET 13 9.247 7.773 3.623 95 1HB MET 13 2HB MET 13 8.860 6.201 1.947 96 2HB MET 13 3HB MET 13 7.754 5.780 3.248 97 1HG MET 13 2HG MET 13 6.414 5.518 1.446 98 2HG MET 13 3HG MET 13 6.037 7.203 1.770 99 1HE MET 13 1HE MET 13 5.016 7.221 -0.636 100 2HE MET 13 2HE MET 13 5.853 6.623 -2.101 101 3HE MET 13 3HE MET 13 5.477 5.510 -0.761 102 H THR 14 H THR 14 10.336 8.995 2.038 103 HA THR 14 HA THR 14 8.805 10.198 -0.118 104 HB THR 14 HB THR 14 10.423 12.158 1.534 105 HG1 THR 14 1HG THR 14 7.812 11.270 1.945 106 1HG2 THR 14 1HG2 THR 14 8.132 12.475 -0.475 107 2HG2 THR 14 2HG2 THR 14 8.943 13.792 0.393 108 3HG2 THR 14 3HG2 THR 14 9.841 12.839 -0.793 109 H CYS 15 H CYS 15 10.746 8.111 -0.126 110 HA CYS 15 HA CYS 15 12.694 9.258 -1.940 111 1HB CYS 15 2HB CYS 15 14.601 8.202 -0.462 112 2HB CYS 15 3HB CYS 15 14.010 9.836 -0.195 113 H ALA 16 H ALA 16 13.651 7.794 -3.233 114 HA ALA 16 HA ALA 16 12.279 5.592 -4.086 115 1HB ALA 16 1HB ALA 16 15.276 6.061 -4.305 116 2HB ALA 16 2HB ALA 16 14.310 4.967 -5.317 117 3HB ALA 16 3HB ALA 16 14.023 6.718 -5.385 118 H SER 17 H SER 17 14.909 5.642 -1.719 119 HA SER 17 HA SER 17 15.390 2.937 -1.257 120 1HB SER 17 2HB SER 17 16.571 4.747 -0.047 121 2HB SER 17 3HB SER 17 15.079 5.164 0.816 122 HG SER 17 HG SER 17 16.628 2.797 1.001 123 H CYS 18 H CYS 18 12.629 4.932 -0.022 124 HA CYS 18 HA CYS 18 11.554 2.591 1.417 125 1HB CYS 18 2HB CYS 18 10.698 5.435 1.292 126 2HB CYS 18 3HB CYS 18 9.904 4.143 2.240 127 H VAL 19 H VAL 19 10.961 4.310 -1.595 128 HA VAL 19 HA VAL 19 8.348 3.475 -2.182 129 HB VAL 19 HB VAL 19 10.797 3.673 -3.998 130 1HG1 VAL 19 1HG1 VAL 19 9.399 3.856 -5.907 131 2HG1 VAL 19 2HG1 VAL 19 8.974 2.337 -5.119 132 3HG1 VAL 19 3HG1 VAL 19 7.927 3.763 -4.948 133 1HG2 VAL 19 1HG2 VAL 19 8.530 5.616 -3.409 134 2HG2 VAL 19 2HG2 VAL 19 10.198 5.756 -2.825 135 3HG2 VAL 19 3HG2 VAL 19 9.865 5.879 -4.559 136 H HIS 20 H HIS 20 11.427 1.782 -2.933 137 HA HIS 20 HA HIS 20 10.053 -0.578 -3.735 138 1HB HIS 20 2HB HIS 20 12.227 -1.515 -4.023 139 2HB HIS 20 3HB HIS 20 12.060 0.095 -4.728 140 HD1 HIS 20 1HD HIS 20 14.570 0.694 -4.795 141 HD2 HIS 20 2HD HIS 20 13.162 -0.564 -1.043 142 HE1 HIS 20 1HE HIS 20 16.517 0.954 -3.163 143 H LYS 21 H LYS 21 10.832 0.544 -0.517 144 HA LYS 21 HA LYS 21 10.895 -2.132 0.692 145 1HB LYS 21 2HB LYS 21 10.210 0.570 1.935 146 2HB LYS 21 3HB LYS 21 10.250 -0.965 2.788 147 1HG LYS 21 2HG LYS 21 12.641 -1.227 2.374 148 2HG LYS 21 3HG LYS 21 12.638 0.229 1.395 149 1HD LYS 21 2HD LYS 21 11.597 1.348 3.618 150 2HD LYS 21 3HD LYS 21 12.244 -0.091 4.397 151 1HE LYS 21 2HE LYS 21 13.885 1.645 4.653 152 2HE LYS 21 3HE LYS 21 14.527 0.527 3.435 153 1HZ LYS 21 1HZ LYS 21 13.213 3.151 2.919 154 2HZ LYS 21 2HZ LYS 21 14.797 2.772 2.615 155 3HZ LYS 21 3HZ LYS 21 13.627 2.047 1.767 156 H ILE 22 H ILE 22 8.499 0.548 0.251 157 HA ILE 22 HA ILE 22 6.321 -0.921 1.285 158 HB ILE 22 HB ILE 22 6.120 1.166 -0.892 159 1HG1 ILE 22 2HG1 ILE 22 7.033 1.411 1.878 160 2HG1 ILE 22 3HG1 ILE 22 7.187 2.483 0.470 161 1HG2 ILE 22 1HG2 ILE 22 4.051 -0.110 -0.474 162 2HG2 ILE 22 2HG2 ILE 22 4.160 0.252 1.258 163 3HG2 ILE 22 3HG2 ILE 22 3.868 1.547 0.073 164 1HD1 ILE 22 1HD1 ILE 22 6.009 3.516 2.361 165 2HD1 ILE 22 2HD1 ILE 22 4.985 3.411 0.919 166 3HD1 ILE 22 3HD1 ILE 22 4.746 2.287 2.287 167 H GLU 23 H GLU 23 7.270 -0.499 -2.217 168 HA GLU 23 HA GLU 23 5.261 -2.253 -3.128 169 1HB GLU 23 2HB GLU 23 7.920 -1.494 -4.379 170 2HB GLU 23 3HB GLU 23 6.670 -2.435 -5.213 171 1HG GLU 23 2HG GLU 23 5.021 -0.650 -4.890 172 2HG GLU 23 3HG GLU 23 6.196 0.294 -3.964 173 H SER 24 H SER 24 8.734 -3.074 -2.442 174 HA SER 24 HA SER 24 8.398 -5.801 -3.181 175 1HB SER 24 2HB SER 24 10.602 -4.608 -3.003 176 2HB SER 24 3HB SER 24 10.456 -4.710 -1.234 177 HG SER 24 HG SER 24 10.111 -7.068 -1.691 178 H SER 25 H SER 25 7.748 -4.084 -0.139 179 HA SER 25 HA SER 25 7.409 -6.483 1.457 180 1HB SER 25 2HB SER 25 7.948 -4.271 2.393 181 2HB SER 25 3HB SER 25 6.377 -3.648 1.869 182 HG SER 25 HG SER 25 5.412 -5.252 3.248 183 H LEU 26 H LEU 26 5.180 -4.212 -0.219 184 HA LEU 26 HA LEU 26 2.769 -5.478 0.427 185 1HB LEU 26 2HB LEU 26 3.680 -3.530 -1.645 186 2HB LEU 26 3HB LEU 26 2.238 -4.435 -2.055 187 HG LEU 26 HG LEU 26 1.823 -2.263 -0.956 188 1HD1 LEU 26 1HD1 LEU 26 0.687 -4.700 0.496 189 2HD1 LEU 26 2HD1 LEU 26 -0.020 -3.082 0.438 190 3HD1 LEU 26 3HD1 LEU 26 0.121 -4.028 -1.045 191 1HD2 LEU 26 1HD2 LEU 26 2.753 -3.601 1.632 192 2HD2 LEU 26 2HD2 LEU 26 3.581 -2.275 0.793 193 3HD2 LEU 26 3HD2 LEU 26 1.973 -2.028 1.462 194 H THR 27 H THR 27 4.928 -6.076 -2.404 195 HA THR 27 HA THR 27 3.206 -7.958 -3.600 196 HB THR 27 HB THR 27 5.317 -8.830 -4.690 197 HG1 THR 27 1HG THR 27 7.149 -7.446 -4.274 198 1HG2 THR 27 1HG2 THR 27 3.958 -7.025 -5.687 199 2HG2 THR 27 2HG2 THR 27 4.837 -5.816 -4.735 200 3HG2 THR 27 3HG2 THR 27 5.685 -6.755 -5.976 201 H LYS 28 H LYS 28 4.953 -8.356 -0.585 202 HA LYS 28 HA LYS 28 5.113 -11.263 -0.753 203 1HB LYS 28 2HB LYS 28 5.052 -9.541 1.745 204 2HB LYS 28 3HB LYS 28 5.588 -11.207 1.611 205 1HG LYS 28 2HG LYS 28 6.925 -8.722 0.496 206 2HG LYS 28 3HG LYS 28 7.525 -9.770 1.767 207 1HD LYS 28 2HD LYS 28 7.247 -10.438 -1.201 208 2HD LYS 28 3HD LYS 28 8.736 -10.068 -0.335 209 1HE LYS 28 2HE LYS 28 8.429 -12.088 1.104 210 2HE LYS 28 3HE LYS 28 6.944 -12.493 0.230 211 1HZ LYS 28 1HZ LYS 28 8.235 -12.725 -1.767 212 2HZ LYS 28 2HZ LYS 28 9.627 -12.363 -0.964 213 3HZ LYS 28 3HZ LYS 28 8.793 -13.730 -0.592 214 H HIS 29 H HIS 29 2.528 -8.955 -0.125 215 HA HIS 29 HA HIS 29 0.844 -10.840 1.302 216 1HB HIS 29 2HB HIS 29 0.203 -8.270 -0.162 217 2HB HIS 29 3HB HIS 29 -1.007 -9.324 0.552 218 HD1 HIS 29 1HD HIS 29 -1.490 -9.001 3.188 219 HD2 HIS 29 2HD HIS 29 1.967 -7.113 1.633 220 HE1 HIS 29 1HE HIS 29 -0.659 -7.501 4.947 221 H ARG 30 H ARG 30 1.306 -12.639 -0.045 222 HA ARG 30 HA ARG 30 0.366 -14.191 -1.602 223 1HB ARG 30 2HB ARG 30 -1.890 -14.607 -0.301 224 2HB ARG 30 3HB ARG 30 -0.308 -14.858 0.438 225 1HG ARG 30 2HG ARG 30 -0.388 -12.724 1.603 226 2HG ARG 30 3HG ARG 30 -1.904 -12.297 0.788 227 1HD ARG 30 2HD ARG 30 -2.871 -14.380 1.906 228 2HD ARG 30 3HD ARG 30 -1.394 -14.446 2.881 229 HE ARG 30 HE ARG 30 -1.980 -11.964 3.454 230 1HH1 ARG 30 2HH2 ARG 30 -4.359 -14.611 3.346 231 2HH1 ARG 30 1HH2 ARG 30 -5.694 -13.508 3.675 232 1HH2 ARG 30 2HH1 ARG 30 -3.783 -10.633 4.107 233 2HH2 ARG 30 1HH1 ARG 30 -5.378 -11.389 4.124 234 H GLY 31 H GLY 31 -2.232 -11.692 -1.188 235 1HA GLY 31 2HA GLY 31 -3.043 -12.193 -4.021 236 2HA GLY 31 1HA GLY 31 -4.240 -12.196 -2.733 237 H ILE 32 H ILE 32 -1.355 -9.942 -3.055 238 HA ILE 32 HA ILE 32 -3.141 -7.802 -3.885 239 HB ILE 32 HB ILE 32 -1.115 -7.800 -2.189 240 1HG1 ILE 32 2HG1 ILE 32 -2.551 -6.001 -2.829 241 2HG1 ILE 32 3HG1 ILE 32 -0.896 -5.537 -2.415 242 1HG2 ILE 32 1HG2 ILE 32 0.655 -8.657 -3.611 243 2HG2 ILE 32 2HG2 ILE 32 0.431 -7.317 -4.762 244 3HG2 ILE 32 3HG2 ILE 32 0.970 -6.979 -3.119 245 1HD1 ILE 32 1HD1 ILE 32 -0.334 -5.227 -4.793 246 2HD1 ILE 32 2HD1 ILE 32 -1.982 -5.733 -5.242 247 3HD1 ILE 32 3HD1 ILE 32 -1.718 -4.233 -4.348 248 H LEU 33 H LEU 33 -3.643 -7.648 -6.045 249 HA LEU 33 HA LEU 33 -2.133 -9.384 -7.865 250 1HB LEU 33 2HB LEU 33 -3.771 -9.058 -9.461 251 2HB LEU 33 3HB LEU 33 -4.557 -9.306 -7.910 252 HG LEU 33 HG LEU 33 -4.357 -6.526 -8.088 253 1HD1 LEU 33 1HD1 LEU 33 -3.662 -6.692 -10.447 254 2HD1 LEU 33 2HD1 LEU 33 -5.152 -7.597 -10.809 255 3HD1 LEU 33 3HD1 LEU 33 -5.244 -5.907 -10.268 256 1HD2 LEU 33 1HD2 LEU 33 -6.277 -7.757 -7.222 257 2HD2 LEU 33 2HD2 LEU 33 -6.800 -6.591 -8.449 258 3HD2 LEU 33 3HD2 LEU 33 -6.685 -8.318 -8.858 259 H TYR 34 H TYR 34 -2.378 -5.827 -7.218 260 HA TYR 34 HA TYR 34 0.236 -5.595 -8.458 261 1HB TYR 34 2HB TYR 34 -1.300 -5.430 -10.426 262 2HB TYR 34 3HB TYR 34 -2.123 -4.090 -9.641 263 HD1 TYR 34 HD1 TYR 34 -1.073 -1.884 -9.505 264 HD2 TYR 34 HD2 TYR 34 1.000 -5.196 -11.314 265 HE1 TYR 34 HE1 TYR 34 0.484 -0.309 -10.601 266 HE2 TYR 34 HE2 TYR 34 2.651 -3.618 -12.294 267 HH TYR 34 HH TYR 34 2.720 -0.239 -11.361 268 H CYS 35 H CYS 35 1.385 -3.959 -7.465 269 HA CYS 35 HA CYS 35 -0.091 -1.826 -6.007 270 1HB CYS 35 2HB CYS 35 1.966 -1.508 -4.619 271 2HB CYS 35 3HB CYS 35 1.167 -2.986 -4.216 272 HG CYS 35 HG CYS 35 3.730 -3.346 -4.138 273 H SER 36 H SER 36 0.807 0.252 -6.288 274 HA SER 36 HA SER 36 3.514 0.384 -7.180 275 1HB SER 36 2HB SER 36 1.425 1.830 -8.862 276 2HB SER 36 3HB SER 36 3.152 2.247 -8.836 277 HG SER 36 HG SER 36 2.740 -0.418 -9.196 278 H VAL 37 H VAL 37 4.506 2.089 -6.086 279 HA VAL 37 HA VAL 37 2.696 3.957 -4.642 280 HB VAL 37 HB VAL 37 3.875 2.003 -3.393 281 1HG1 VAL 37 1HG1 VAL 37 6.116 2.471 -4.484 282 2HG1 VAL 37 2HG1 VAL 37 6.224 3.919 -3.450 283 3HG1 VAL 37 3HG1 VAL 37 6.124 2.306 -2.727 284 1HG2 VAL 37 1HG2 VAL 37 4.108 4.877 -2.468 285 2HG2 VAL 37 2HG2 VAL 37 2.779 3.744 -2.206 286 3HG2 VAL 37 3HG2 VAL 37 4.332 3.428 -1.437 287 H ALA 38 H ALA 38 3.114 6.077 -4.684 288 HA ALA 38 HA ALA 38 5.593 6.968 -6.123 289 1HB ALA 38 1HB ALA 38 4.323 8.849 -6.970 290 2HB ALA 38 2HB ALA 38 3.717 7.297 -7.599 291 3HB ALA 38 3HB ALA 38 2.813 8.144 -6.323 292 H LEU 39 H LEU 39 6.746 8.453 -5.192 293 HA LEU 39 HA LEU 39 6.233 8.946 -2.369 294 1HB LEU 39 2HB LEU 39 8.493 9.521 -2.182 295 2HB LEU 39 3HB LEU 39 8.373 8.145 -3.259 296 HG LEU 39 HG LEU 39 8.446 10.083 -5.147 297 1HD1 LEU 39 1HD1 LEU 39 8.570 11.956 -3.415 298 2HD1 LEU 39 2HD1 LEU 39 10.071 11.236 -2.822 299 3HD1 LEU 39 3HD1 LEU 39 9.987 11.881 -4.469 300 1HD2 LEU 39 1HD2 LEU 39 10.911 9.730 -5.216 301 2HD2 LEU 39 2HD2 LEU 39 10.826 8.977 -3.607 302 3HD2 LEU 39 3HD2 LEU 39 10.009 8.223 -4.993 303 H ALA 40 H ALA 40 6.395 10.940 -5.305 304 HA ALA 40 HA ALA 40 6.417 13.479 -4.142 305 1HB ALA 40 1HB ALA 40 4.997 12.579 -6.686 306 2HB ALA 40 2HB ALA 40 5.435 14.249 -6.266 307 3HB ALA 40 3HB ALA 40 6.708 13.047 -6.549 308 H THR 41 H THR 41 3.738 11.225 -4.447 309 HA THR 41 HA THR 41 1.815 13.180 -3.247 310 HB THR 41 HB THR 41 1.150 12.424 -5.365 311 HG1 THR 41 1HG THR 41 -0.202 11.332 -3.183 312 1HG2 THR 41 1HG2 THR 41 0.719 9.975 -5.858 313 2HG2 THR 41 2HG2 THR 41 2.402 10.492 -5.863 314 3HG2 THR 41 3HG2 THR 41 1.760 9.598 -4.468 315 H ASN 42 H ASN 42 3.975 11.056 -2.259 316 HA ASN 42 HA ASN 42 4.232 9.385 -0.723 317 1HB ASN 42 2HB ASN 42 2.310 11.139 0.849 318 2HB ASN 42 3HB ASN 42 3.518 10.033 1.515 319 1HD2 ASN 42 1HD2 ASN 42 5.891 10.613 1.176 320 2HD2 ASN 42 2HD2 ASN 42 6.243 12.323 0.974 321 H LYS 43 H LYS 43 2.525 8.261 -2.523 322 HA LYS 43 HA LYS 43 0.318 7.092 -0.910 323 1HB LYS 43 2HB LYS 43 -0.659 9.055 -1.810 324 2HB LYS 43 3HB LYS 43 -0.008 8.727 -3.414 325 1HG LYS 43 2HG LYS 43 -1.852 6.655 -2.267 326 2HG LYS 43 3HG LYS 43 -2.571 8.201 -2.684 327 1HD LYS 43 2HD LYS 43 -0.806 6.680 -4.647 328 2HD LYS 43 3HD LYS 43 -2.533 6.422 -4.541 329 1HE LYS 43 2HE LYS 43 -1.873 9.315 -4.702 330 2HE LYS 43 3HE LYS 43 -1.178 8.400 -6.040 331 1HZ LYS 43 1HZ LYS 43 -3.408 9.176 -6.564 332 2HZ LYS 43 2HZ LYS 43 -3.402 7.519 -6.497 333 3HZ LYS 43 3HZ LYS 43 -4.055 8.314 -5.307 334 H ALA 44 H ALA 44 -0.307 5.157 -1.341 335 HA ALA 44 HA ALA 44 0.982 3.589 -3.536 336 1HB ALA 44 1HB ALA 44 0.440 1.644 -2.226 337 2HB ALA 44 2HB ALA 44 1.246 2.754 -1.103 338 3HB ALA 44 3HB ALA 44 -0.507 2.610 -1.078 339 H HIS 45 H HIS 45 -0.369 2.609 -5.077 340 HA HIS 45 HA HIS 45 -3.230 2.521 -4.368 341 1HB HIS 45 2HB HIS 45 -3.898 2.436 -6.543 342 2HB HIS 45 3HB HIS 45 -2.796 3.802 -6.504 343 HD1 HIS 45 1HD HIS 45 -1.549 3.835 -8.731 344 HD2 HIS 45 2HD HIS 45 -2.559 -0.029 -7.399 345 HE1 HIS 45 1HE HIS 45 -0.973 2.230 -10.632 346 H ILE 46 H ILE 46 -3.928 0.484 -4.076 347 HA ILE 46 HA ILE 46 -2.038 -1.788 -4.480 348 HB ILE 46 HB ILE 46 -3.277 -0.692 -1.963 349 1HG1 ILE 46 2HG1 ILE 46 -0.549 -1.995 -2.313 350 2HG1 ILE 46 3HG1 ILE 46 -0.794 -0.341 -2.851 351 1HG2 ILE 46 1HG2 ILE 46 -2.736 -2.808 -0.782 352 2HG2 ILE 46 2HG2 ILE 46 -4.028 -3.019 -1.959 353 3HG2 ILE 46 3HG2 ILE 46 -2.386 -3.574 -2.328 354 1HD1 ILE 46 1HD1 ILE 46 -1.324 -1.217 -0.006 355 2HD1 ILE 46 2HD1 ILE 46 0.147 -0.418 -0.591 356 3HD1 ILE 46 3HD1 ILE 46 -1.407 0.424 -0.677 357 H LYS 47 H LYS 47 -3.061 -3.195 -5.736 358 HA LYS 47 HA LYS 47 -6.030 -3.196 -5.868 359 1HB LYS 47 2HB LYS 47 -3.965 -4.428 -7.717 360 2HB LYS 47 3HB LYS 47 -5.711 -4.241 -7.978 361 1HG LYS 47 2HG LYS 47 -5.199 -1.677 -7.703 362 2HG LYS 47 3HG LYS 47 -3.509 -2.115 -7.911 363 1HD LYS 47 2HD LYS 47 -4.258 -3.394 -10.031 364 2HD LYS 47 3HD LYS 47 -5.842 -2.627 -9.829 365 1HE LYS 47 2HE LYS 47 -4.778 -0.376 -10.002 366 2HE LYS 47 3HE LYS 47 -3.186 -1.142 -10.122 367 1HZ LYS 47 1HZ LYS 47 -3.988 -0.516 -12.254 368 2HZ LYS 47 2HZ LYS 47 -3.839 -2.148 -12.168 369 3HZ LYS 47 3HZ LYS 47 -5.333 -1.454 -12.098 370 H TYR 48 H TYR 48 -6.126 -4.194 -3.770 371 HA TYR 48 HA TYR 48 -4.969 -6.846 -3.426 372 1HB TYR 48 2HB TYR 48 -5.697 -6.715 -1.211 373 2HB TYR 48 3HB TYR 48 -4.995 -5.203 -1.653 374 HD1 TYR 48 HD1 TYR 48 -6.299 -3.148 -1.423 375 HD2 TYR 48 HD2 TYR 48 -8.230 -6.985 -1.019 376 HE1 TYR 48 HE1 TYR 48 -8.253 -2.078 -0.364 377 HE2 TYR 48 HE2 TYR 48 -10.195 -5.885 -0.001 378 HH TYR 48 HH TYR 48 -10.411 -2.346 0.392 379 H ASP 49 H ASP 49 -5.996 -8.762 -3.347 380 HA ASP 49 HA ASP 49 -8.494 -9.111 -4.768 381 1HB ASP 49 2HB ASP 49 -6.792 -11.083 -3.195 382 2HB ASP 49 3HB ASP 49 -8.168 -11.501 -4.223 383 HA PRO 50 HA PRO 50 -10.388 -8.100 -0.826 384 1HB PRO 50 2HB PRO 50 -12.926 -7.518 -1.578 385 2HB PRO 50 3HB PRO 50 -11.535 -6.599 -2.205 386 1HG PRO 50 2HG PRO 50 -12.889 -8.964 -3.549 387 2HG PRO 50 3HG PRO 50 -12.625 -7.334 -4.240 388 1HD PRO 50 2HD PRO 50 -10.866 -9.380 -4.676 389 2HD PRO 50 3HD PRO 50 -10.303 -7.700 -4.440 390 H GLU 51 H GLU 51 -9.902 -10.796 -0.961 391 HA GLU 51 HA GLU 51 -12.218 -11.894 0.543 392 1HB GLU 51 2HB GLU 51 -10.593 -13.547 -1.463 393 2HB GLU 51 3HB GLU 51 -11.954 -14.064 -0.464 394 1HG GLU 51 2HG GLU 51 -13.346 -12.309 -1.695 395 2HG GLU 51 3HG GLU 51 -11.984 -12.121 -2.811 396 H ILE 52 H ILE 52 -8.885 -12.761 -0.475 397 HA ILE 52 HA ILE 52 -8.239 -13.872 2.117 398 HB ILE 52 HB ILE 52 -6.087 -14.279 1.251 399 1HG1 ILE 52 2HG1 ILE 52 -5.807 -13.569 -1.348 400 2HG1 ILE 52 3HG1 ILE 52 -6.703 -12.175 -0.767 401 1HG2 ILE 52 1HG2 ILE 52 -8.095 -14.774 -0.980 402 2HG2 ILE 52 2HG2 ILE 52 -6.628 -15.703 -0.627 403 3HG2 ILE 52 3HG2 ILE 52 -7.979 -15.720 0.519 404 1HD1 ILE 52 1HD1 ILE 52 -4.875 -12.190 1.186 405 2HD1 ILE 52 2HD1 ILE 52 -4.008 -13.282 0.113 406 3HD1 ILE 52 3HD1 ILE 52 -4.372 -11.628 -0.406 407 H ILE 53 H ILE 53 -7.807 -10.749 0.655 408 HA ILE 53 HA ILE 53 -6.484 -9.758 3.136 409 HB ILE 53 HB ILE 53 -4.871 -10.083 1.413 410 1HG1 ILE 53 2HG1 ILE 53 -5.258 -7.091 1.402 411 2HG1 ILE 53 3HG1 ILE 53 -4.849 -8.003 2.868 412 1HG2 ILE 53 1HG2 ILE 53 -6.139 -10.063 -0.635 413 2HG2 ILE 53 2HG2 ILE 53 -6.664 -8.406 -0.336 414 3HG2 ILE 53 3HG2 ILE 53 -4.969 -8.763 -0.742 415 1HD1 ILE 53 1HD1 ILE 53 -2.977 -9.094 1.688 416 2HD1 ILE 53 2HD1 ILE 53 -3.219 -7.997 0.313 417 3HD1 ILE 53 3HD1 ILE 53 -2.769 -7.341 1.900 418 H GLY 54 H GLY 54 -6.726 -7.500 3.541 419 1HA GLY 54 2HA GLY 54 -8.875 -6.001 2.315 420 2HA GLY 54 1HA GLY 54 -9.206 -6.594 3.965 421 HA PRO 55 HA PRO 55 -6.636 -2.572 3.691 422 1HB PRO 55 2HB PRO 55 -8.085 -1.178 5.637 423 2HB PRO 55 3HB PRO 55 -8.354 -1.121 3.875 424 1HG PRO 55 2HG PRO 55 -9.797 -2.816 5.917 425 2HG PRO 55 3HG PRO 55 -10.497 -1.871 4.573 426 1HD PRO 55 2HD PRO 55 -10.129 -4.525 4.336 427 2HD PRO 55 3HD PRO 55 -9.738 -3.461 2.958 428 H ARG 56 H ARG 56 -8.019 -4.021 6.693 429 HA ARG 56 HA ARG 56 -6.064 -3.127 8.424 430 1HB ARG 56 2HB ARG 56 -7.994 -5.419 8.431 431 2HB ARG 56 3HB ARG 56 -6.702 -5.490 9.625 432 1HG ARG 56 2HG ARG 56 -8.326 -2.948 9.277 433 2HG ARG 56 3HG ARG 56 -8.904 -4.280 10.300 434 1HD ARG 56 2HD ARG 56 -6.988 -4.218 11.709 435 2HD ARG 56 3HD ARG 56 -6.106 -3.130 10.615 436 HE ARG 56 HE ARG 56 -8.493 -1.856 11.489 437 1HH1 ARG 56 2HH2 ARG 56 -5.320 -2.918 12.696 438 2HH1 ARG 56 1HH2 ARG 56 -5.141 -1.603 13.815 439 1HH2 ARG 56 2HH1 ARG 56 -8.274 -0.107 13.008 440 2HH2 ARG 56 1HH1 ARG 56 -6.867 0.008 14.013 441 H ASP 57 H ASP 57 -5.833 -6.085 6.422 442 HA ASP 57 HA ASP 57 -3.506 -7.155 7.706 443 1HB ASP 57 2HB ASP 57 -4.971 -8.475 6.243 444 2HB ASP 57 3HB ASP 57 -4.572 -7.428 4.877 445 H ILE 58 H ILE 58 -3.859 -5.376 4.650 446 HA ILE 58 HA ILE 58 -1.204 -4.777 3.995 447 HB ILE 58 HB ILE 58 -3.717 -3.066 3.749 448 1HG1 ILE 58 2HG1 ILE 58 -2.462 -4.605 1.485 449 2HG1 ILE 58 3HG1 ILE 58 -3.638 -5.362 2.578 450 1HG2 ILE 58 1HG2 ILE 58 -0.971 -2.737 2.499 451 2HG2 ILE 58 2HG2 ILE 58 -2.415 -1.906 1.890 452 3HG2 ILE 58 3HG2 ILE 58 -1.849 -1.572 3.514 453 1HD1 ILE 58 1HD1 ILE 58 -5.296 -3.663 2.150 454 2HD1 ILE 58 2HD1 ILE 58 -4.207 -2.775 1.084 455 3HD1 ILE 58 3HD1 ILE 58 -4.767 -4.398 0.624 456 H ILE 59 H ILE 59 -3.473 -2.874 5.998 457 HA ILE 59 HA ILE 59 -1.716 -0.774 6.535 458 HB ILE 59 HB ILE 59 -4.216 -1.827 7.796 459 1HG1 ILE 59 2HG1 ILE 59 -3.653 0.835 6.446 460 2HG1 ILE 59 3HG1 ILE 59 -4.119 -0.620 5.572 461 1HG2 ILE 59 1HG2 ILE 59 -3.120 -0.944 9.756 462 2HG2 ILE 59 2HG2 ILE 59 -2.676 0.544 8.910 463 3HG2 ILE 59 3HG2 ILE 59 -4.372 0.183 9.267 464 1HD1 ILE 59 1HD1 ILE 59 -5.732 0.889 7.633 465 2HD1 ILE 59 2HD1 ILE 59 -6.102 0.573 5.923 466 3HD1 ILE 59 3HD1 ILE 59 -6.138 -0.763 7.103 467 H HIS 60 H HIS 60 -2.300 -3.774 8.458 468 HA HIS 60 HA HIS 60 -0.668 -2.962 10.693 469 1HB HIS 60 2HB HIS 60 -1.264 -5.735 9.569 470 2HB HIS 60 3HB HIS 60 -0.500 -5.410 11.127 471 HD1 HIS 60 1HD HIS 60 -3.207 -7.006 10.987 472 HD2 HIS 60 2HD HIS 60 -2.799 -2.867 11.626 473 HE1 HIS 60 1HE HIS 60 -5.279 -6.251 12.276 474 H THR 61 H THR 61 -0.008 -4.565 7.594 475 HA THR 61 HA THR 61 2.776 -5.052 8.175 476 HB THR 61 HB THR 61 1.222 -4.867 5.582 477 HG1 THR 61 1HG THR 61 2.179 -6.989 7.202 478 1HG2 THR 61 1HG2 THR 61 3.193 -6.125 4.618 479 2HG2 THR 61 2HG2 THR 61 3.612 -4.463 5.056 480 3HG2 THR 61 3HG2 THR 61 4.097 -5.808 6.111 481 H ILE 62 H ILE 62 1.165 -2.328 6.404 482 HA ILE 62 HA ILE 62 3.639 -0.984 5.904 483 HB ILE 62 HB ILE 62 0.802 0.065 5.986 484 1HG1 ILE 62 2HG1 ILE 62 2.662 -0.651 3.653 485 2HG1 ILE 62 3HG1 ILE 62 1.394 -1.713 4.268 486 1HG2 ILE 62 1HG2 ILE 62 3.367 1.370 4.961 487 2HG2 ILE 62 2HG2 ILE 62 1.743 2.020 4.704 488 3HG2 ILE 62 3HG2 ILE 62 2.384 1.934 6.329 489 1HD1 ILE 62 1HD1 ILE 62 -0.278 0.110 3.815 490 2HD1 ILE 62 2HD1 ILE 62 0.997 0.970 2.916 491 3HD1 ILE 62 3HD1 ILE 62 0.461 -0.623 2.382 492 H GLU 63 H GLU 63 1.290 -0.589 8.600 493 HA GLU 63 HA GLU 63 2.599 1.386 10.110 494 1HB GLU 63 2HB GLU 63 1.122 -1.142 10.946 495 2HB GLU 63 3HB GLU 63 1.642 0.094 12.089 496 1HG GLU 63 2HG GLU 63 -0.143 0.786 9.712 497 2HG GLU 63 3HG GLU 63 -0.793 0.180 11.240 498 H SER 64 H SER 64 3.164 -2.186 10.041 499 HA SER 64 HA SER 64 5.366 -2.119 11.818 500 1HB SER 64 2HB SER 64 4.061 -4.164 11.162 501 2HB SER 64 3HB SER 64 4.938 -4.165 9.618 502 HG SER 64 HG SER 64 6.887 -4.053 11.061 503 H LEU 65 H LEU 65 5.314 -1.003 8.498 504 HA LEU 65 HA LEU 65 8.267 -1.194 8.239 505 1HB LEU 65 2HB LEU 65 6.248 0.216 6.473 506 2HB LEU 65 3HB LEU 65 7.960 -0.035 6.137 507 HG LEU 65 HG LEU 65 5.872 -2.238 6.346 508 1HD1 LEU 65 1HD1 LEU 65 6.089 -2.399 3.937 509 2HD1 LEU 65 2HD1 LEU 65 5.638 -0.743 4.360 510 3HD1 LEU 65 3HD1 LEU 65 7.318 -1.116 3.913 511 1HD2 LEU 65 1HD2 LEU 65 8.825 -2.342 5.587 512 2HD2 LEU 65 2HD2 LEU 65 8.066 -3.105 7.004 513 3HD2 LEU 65 3HD2 LEU 65 7.668 -3.675 5.382 514 H GLY 66 H GLY 66 5.910 0.894 9.675 515 1HA GLY 66 2HA GLY 66 6.312 2.763 10.935 516 2HA GLY 66 1HA GLY 66 7.967 2.875 10.326 517 H PHE 67 H PHE 67 4.836 2.741 8.536 518 HA PHE 67 HA PHE 67 5.064 5.616 7.847 519 1HB PHE 67 2HB PHE 67 4.155 3.559 5.831 520 2HB PHE 67 3HB PHE 67 4.551 5.247 5.556 521 HD1 PHE 67 1HD PHE 67 5.627 2.022 4.884 522 HD2 PHE 67 2HD PHE 67 7.204 5.730 6.418 523 HE1 PHE 67 1HE PHE 67 7.878 1.403 4.073 524 HE2 PHE 67 2HE PHE 67 9.456 5.107 5.584 525 HZ PHE 67 HZ PHE 67 9.774 2.967 4.347 526 H GLU 68 H GLU 68 2.901 6.539 7.517 527 HA GLU 68 HA GLU 68 0.783 5.114 8.964 528 1HB GLU 68 2HB GLU 68 0.783 7.836 7.645 529 2HB GLU 68 3HB GLU 68 -0.329 7.233 8.853 530 1HG GLU 68 2HG GLU 68 1.363 7.431 10.582 531 2HG GLU 68 3HG GLU 68 2.635 7.751 9.386 532 HA PRO 69 HA PRO 69 -0.747 4.275 4.646 533 1HB PRO 69 2HB PRO 69 -2.286 2.115 5.094 534 2HB PRO 69 3HB PRO 69 -0.507 2.017 5.168 535 1HG PRO 69 2HG PRO 69 -2.427 2.329 7.481 536 2HG PRO 69 3HG PRO 69 -1.090 1.152 7.307 537 1HD PRO 69 2HD PRO 69 -0.868 3.540 8.670 538 2HD PRO 69 3HD PRO 69 0.499 2.767 7.819 539 H SER 70 H SER 70 -1.781 6.459 5.050 540 HA SER 70 HA SER 70 -4.338 6.485 6.445 541 1HB SER 70 2HB SER 70 -2.708 8.367 6.387 542 2HB SER 70 3HB SER 70 -3.163 8.629 4.692 543 HG SER 70 HG SER 70 -4.820 8.800 6.996 544 H LEU 71 H LEU 71 -5.735 5.213 5.484 545 HA LEU 71 HA LEU 71 -6.160 4.789 2.704 546 1HB LEU 71 2HB LEU 71 -8.068 3.457 3.390 547 2HB LEU 71 3HB LEU 71 -6.626 3.076 4.317 548 HG LEU 71 HG LEU 71 -8.287 5.149 5.642 549 1HD1 LEU 71 1HD1 LEU 71 -9.480 2.379 5.206 550 2HD1 LEU 71 2HD1 LEU 71 -10.099 3.623 6.313 551 3HD1 LEU 71 3HD1 LEU 71 -10.123 3.906 4.565 552 1HD2 LEU 71 1HD2 LEU 71 -6.413 3.851 6.740 553 2HD2 LEU 71 2HD2 LEU 71 -7.964 3.752 7.590 554 3HD2 LEU 71 3HD2 LEU 71 -7.417 2.397 6.590 555 H VAL 72 H VAL 72 -6.260 7.332 2.410 556 HA VAL 72 HA VAL 72 -8.951 8.442 2.683 557 HB VAL 72 HB VAL 72 -6.509 9.530 1.233 558 1HG1 VAL 72 1HG1 VAL 72 -8.579 10.640 0.480 559 2HG1 VAL 72 2HG1 VAL 72 -9.083 10.885 2.164 560 3HG1 VAL 72 3HG1 VAL 72 -7.656 11.724 1.521 561 1HG2 VAL 72 1HG2 VAL 72 -7.555 10.036 4.057 562 2HG2 VAL 72 2HG2 VAL 72 -6.034 9.224 3.640 563 3HG2 VAL 72 3HG2 VAL 72 -6.240 10.935 3.274 564 H LYS 73 H LYS 73 -6.947 8.273 -0.261 565 HA LYS 73 HA LYS 73 -7.370 7.914 -2.402 566 1HB LYS 73 2HB LYS 73 -8.341 5.724 -1.572 567 2HB LYS 73 3HB LYS 73 -9.949 6.459 -1.728 568 1HG LYS 73 2HG LYS 73 -9.540 6.863 -4.128 569 2HG LYS 73 3HG LYS 73 -7.915 6.180 -3.993 570 1HD LYS 73 2HD LYS 73 -9.034 4.034 -3.168 571 2HD LYS 73 3HD LYS 73 -10.580 4.812 -3.504 572 1HE LYS 73 2HE LYS 73 -9.395 5.218 -5.919 573 2HE LYS 73 3HE LYS 73 -8.474 3.793 -5.442 574 1HZ LYS 73 1HZ LYS 73 -10.433 2.545 -5.329 575 2HZ LYS 73 2HZ LYS 73 -11.411 3.913 -5.436 576 3HZ LYS 73 3HZ LYS 73 -10.544 3.421 -6.723 577 H ILE 74 H ILE 74 -8.529 8.839 -4.191 578 HA ILE 74 HA ILE 74 -9.745 11.338 -3.358 579 HB ILE 74 HB ILE 74 -9.570 11.951 -5.727 580 1HG1 ILE 74 2HG1 ILE 74 -7.686 10.021 -6.674 581 2HG1 ILE 74 3HG1 ILE 74 -9.093 9.091 -6.184 582 1HG2 ILE 74 1HG2 ILE 74 -7.816 12.430 -4.083 583 2HG2 ILE 74 2HG2 ILE 74 -7.027 10.881 -4.447 584 3HG2 ILE 74 3HG2 ILE 74 -7.137 12.146 -5.691 585 1HD1 ILE 74 1HD1 ILE 74 -9.261 9.772 -8.529 586 2HD1 ILE 74 2HD1 ILE 74 -10.538 10.558 -7.584 587 3HD1 ILE 74 3HD1 ILE 74 -9.101 11.481 -8.074 588 H GLU 75 H GLU 75 -10.935 8.653 -5.520 589 HA GLU 75 HA GLU 75 -12.818 8.496 -6.666 590 1HB GLU 75 2HB GLU 75 -14.112 8.908 -3.971 591 2HB GLU 75 3HB GLU 75 -14.631 7.855 -5.293 592 1HG GLU 75 2HG GLU 75 -12.204 7.496 -3.468 593 2HG GLU 75 3HG GLU 75 -13.647 6.492 -3.540 Start of MODEL 5 1 1H MET 1 H1 MET 1 -12.990 -12.358 -7.188 2 2H MET 1 H2 MET 1 -13.080 -12.840 -8.780 3 3H MET 1 H3 MET 1 -12.709 -11.288 -8.390 4 HA MET 1 HA MET 1 -14.912 -11.253 -9.107 5 1HB MET 1 2HB MET 1 -15.363 -13.358 -6.950 6 2HB MET 1 3HB MET 1 -16.651 -12.434 -7.742 7 1HG MET 1 2HG MET 1 -15.889 -13.276 -9.955 8 2HG MET 1 3HG MET 1 -14.724 -14.328 -9.130 9 1HE MET 1 1HE MET 1 -16.918 -15.259 -11.275 10 2HE MET 1 2HE MET 1 -15.733 -16.355 -10.515 11 3HE MET 1 3HE MET 1 -17.463 -16.773 -10.515 12 H GLY 2 H GLY 2 -13.593 -9.405 -8.212 13 1HA GLY 2 2HA GLY 2 -14.867 -7.766 -6.295 14 2HA GLY 2 1HA GLY 2 -13.661 -8.770 -5.454 15 H ASP 3 H ASP 3 -11.659 -9.097 -7.035 16 HA ASP 3 HA ASP 3 -9.757 -8.115 -8.043 17 1HB ASP 3 2HB ASP 3 -12.018 -7.578 -10.016 18 2HB ASP 3 3HB ASP 3 -10.317 -7.857 -10.404 19 H GLY 4 H GLY 4 -9.240 -6.137 -6.679 20 1HA GLY 4 2HA GLY 4 -10.669 -3.637 -7.582 21 2HA GLY 4 1HA GLY 4 -10.449 -4.121 -5.903 22 H VAL 5 H VAL 5 -9.662 -1.658 -6.666 23 HA VAL 5 HA VAL 5 -6.763 -1.853 -6.129 24 HB VAL 5 HB VAL 5 -8.080 0.372 -7.735 25 1HG1 VAL 5 1HG1 VAL 5 -5.715 1.134 -8.018 26 2HG1 VAL 5 2HG1 VAL 5 -6.238 1.181 -6.333 27 3HG1 VAL 5 3HG1 VAL 5 -5.188 -0.134 -6.890 28 1HG2 VAL 5 1HG2 VAL 5 -6.279 -1.921 -8.612 29 2HG2 VAL 5 2HG2 VAL 5 -7.900 -1.531 -9.204 30 3HG2 VAL 5 3HG2 VAL 5 -6.542 -0.455 -9.576 31 H LEU 6 H LEU 6 -6.445 -1.194 -4.063 32 HA LEU 6 HA LEU 6 -8.311 0.778 -2.851 33 1HB LEU 6 2HB LEU 6 -7.975 -1.282 -1.541 34 2HB LEU 6 3HB LEU 6 -6.220 -1.105 -1.679 35 HG LEU 6 HG LEU 6 -6.362 1.010 -0.399 36 1HD1 LEU 6 1HD1 LEU 6 -8.498 1.463 0.888 37 2HD1 LEU 6 2HD1 LEU 6 -8.702 1.711 -0.844 38 3HD1 LEU 6 3HD1 LEU 6 -9.308 0.224 -0.086 39 1HD2 LEU 6 1HD2 LEU 6 -6.811 -0.047 1.791 40 2HD2 LEU 6 2HD2 LEU 6 -7.588 -1.418 0.965 41 3HD2 LEU 6 3HD2 LEU 6 -5.858 -1.089 0.727 42 H GLU 7 H GLU 7 -7.306 2.739 -2.088 43 HA GLU 7 HA GLU 7 -4.457 3.173 -2.722 44 1HB GLU 7 2HB GLU 7 -6.818 4.535 -3.962 45 2HB GLU 7 3HB GLU 7 -5.500 5.571 -3.380 46 1HG GLU 7 2HG GLU 7 -3.944 4.135 -4.778 47 2HG GLU 7 3HG GLU 7 -5.395 3.443 -5.540 48 H LEU 8 H LEU 8 -3.432 4.108 -1.052 49 HA LEU 8 HA LEU 8 -4.990 5.715 0.873 50 1HB LEU 8 2HB LEU 8 -4.185 4.519 2.801 51 2HB LEU 8 3HB LEU 8 -5.103 3.451 1.763 52 HG LEU 8 HG LEU 8 -3.325 2.376 2.811 53 1HD1 LEU 8 1HD1 LEU 8 -2.593 2.472 -0.117 54 2HD1 LEU 8 2HD1 LEU 8 -2.279 1.209 1.083 55 3HD1 LEU 8 3HD1 LEU 8 -3.952 1.555 0.582 56 1HD2 LEU 8 1HD2 LEU 8 -1.744 4.344 2.970 57 2HD2 LEU 8 2HD2 LEU 8 -1.032 2.749 2.620 58 3HD2 LEU 8 3HD2 LEU 8 -1.203 3.928 1.333 59 H VAL 9 H VAL 9 -3.746 7.069 2.176 60 HA VAL 9 HA VAL 9 -1.372 8.124 0.774 61 HB VAL 9 HB VAL 9 -3.177 9.235 2.938 62 1HG1 VAL 9 1HG1 VAL 9 -0.667 10.495 1.740 63 2HG1 VAL 9 2HG1 VAL 9 -1.837 11.309 2.790 64 3HG1 VAL 9 3HG1 VAL 9 -0.858 9.986 3.434 65 1HG2 VAL 9 1HG2 VAL 9 -2.490 10.107 0.081 66 2HG2 VAL 9 2HG2 VAL 9 -3.990 9.304 0.572 67 3HG2 VAL 9 3HG2 VAL 9 -3.616 10.933 1.171 68 H VAL 10 H VAL 10 0.600 7.736 1.501 69 HA VAL 10 HA VAL 10 1.048 6.332 4.078 70 HB VAL 10 HB VAL 10 3.256 5.802 2.480 71 1HG1 VAL 10 1HG1 VAL 10 0.859 4.074 3.105 72 2HG1 VAL 10 2HG1 VAL 10 2.448 3.497 2.569 73 3HG1 VAL 10 3HG1 VAL 10 2.289 4.331 4.129 74 1HG2 VAL 10 1HG2 VAL 10 1.963 6.477 0.438 75 2HG2 VAL 10 2HG2 VAL 10 2.454 4.777 0.466 76 3HG2 VAL 10 3HG2 VAL 10 0.773 5.213 0.832 77 H ARG 11 H ARG 11 1.703 7.960 5.426 78 HA ARG 11 HA ARG 11 3.578 10.033 4.374 79 1HB ARG 11 2HB ARG 11 2.558 9.772 7.208 80 2HB ARG 11 3HB ARG 11 3.369 11.148 6.467 81 1HG ARG 11 2HG ARG 11 1.463 11.476 4.914 82 2HG ARG 11 3HG ARG 11 0.675 10.048 5.600 83 1HD ARG 11 2HD ARG 11 0.896 11.299 7.898 84 2HD ARG 11 3HD ARG 11 1.180 12.732 6.924 85 HE ARG 11 HE ARG 11 -1.054 12.763 6.325 86 1HH1 ARG 11 2HH2 ARG 11 -0.555 9.740 8.164 87 2HH1 ARG 11 1HH2 ARG 11 -1.820 8.888 7.277 88 1HH2 ARG 11 2HH1 ARG 11 -2.986 11.685 5.504 89 2HH2 ARG 11 1HH1 ARG 11 -3.203 9.991 5.910 90 H GLY 12 H GLY 12 5.692 10.233 5.142 91 1HA GLY 12 2HA GLY 12 7.444 9.655 6.688 92 2HA GLY 12 1HA GLY 12 6.848 7.996 6.770 93 H MET 13 H MET 13 6.423 7.334 4.108 94 HA MET 13 HA MET 13 9.088 6.858 3.217 95 1HB MET 13 2HB MET 13 8.050 5.725 1.325 96 2HB MET 13 3HB MET 13 7.215 5.342 2.832 97 1HG MET 13 2HG MET 13 5.458 5.654 1.426 98 2HG MET 13 3HG MET 13 5.591 7.308 2.020 99 1HE MET 13 1HE MET 13 4.349 7.532 -1.667 100 2HE MET 13 2HE MET 13 4.085 6.134 -0.612 101 3HE MET 13 3HE MET 13 3.996 7.781 0.067 102 H THR 14 H THR 14 10.376 7.972 1.782 103 HA THR 14 HA THR 14 9.244 10.248 0.260 104 HB THR 14 HB THR 14 9.483 11.054 2.575 105 HG1 THR 14 1HG THR 14 11.240 12.066 0.623 106 1HG2 THR 14 1HG2 THR 14 12.457 10.439 2.261 107 2HG2 THR 14 2HG2 THR 14 11.694 11.327 3.592 108 3HG2 THR 14 3HG2 THR 14 11.331 9.611 3.360 109 H CYS 15 H CYS 15 11.152 7.654 -0.158 110 HA CYS 15 HA CYS 15 12.336 8.923 -2.397 111 1HB CYS 15 2HB CYS 15 14.656 8.661 -1.984 112 2HB CYS 15 3HB CYS 15 14.036 9.533 -0.595 113 H ALA 16 H ALA 16 13.694 7.262 -3.580 114 HA ALA 16 HA ALA 16 12.303 5.023 -4.315 115 1HB ALA 16 1HB ALA 16 14.415 4.208 -5.279 116 2HB ALA 16 2HB ALA 16 14.192 5.944 -5.565 117 3HB ALA 16 3HB ALA 16 15.324 5.388 -4.310 118 H SER 17 H SER 17 14.794 5.243 -1.767 119 HA SER 17 HA SER 17 15.026 2.513 -1.120 120 1HB SER 17 2HB SER 17 16.487 4.340 -0.240 121 2HB SER 17 3HB SER 17 15.179 4.818 0.858 122 HG SER 17 HG SER 17 16.893 3.289 1.602 123 H CYS 18 H CYS 18 12.604 4.972 -0.005 124 HA CYS 18 HA CYS 18 11.437 3.082 1.906 125 1HB CYS 18 2HB CYS 18 10.354 5.713 0.866 126 2HB CYS 18 3HB CYS 18 9.813 4.773 2.267 127 H VAL 19 H VAL 19 10.561 4.543 -1.232 128 HA VAL 19 HA VAL 19 8.074 3.502 -1.756 129 HB VAL 19 HB VAL 19 10.494 4.004 -3.520 130 1HG1 VAL 19 1HG1 VAL 19 7.676 3.527 -4.539 131 2HG1 VAL 19 2HG1 VAL 19 9.047 4.108 -5.484 132 3HG1 VAL 19 3HG1 VAL 19 9.079 2.477 -4.818 133 1HG2 VAL 19 1HG2 VAL 19 9.440 5.941 -2.288 134 2HG2 VAL 19 2HG2 VAL 19 9.440 6.094 -4.052 135 3HG2 VAL 19 3HG2 VAL 19 7.954 5.634 -3.193 136 H HIS 20 H HIS 20 11.220 1.996 -2.735 137 HA HIS 20 HA HIS 20 9.851 -0.260 -3.697 138 1HB HIS 20 2HB HIS 20 11.919 -1.111 -4.317 139 2HB HIS 20 3HB HIS 20 11.852 0.626 -4.614 140 HD1 HIS 20 1HD HIS 20 14.535 0.405 -4.888 141 HD2 HIS 20 2HD HIS 20 12.957 -0.292 -1.064 142 HE1 HIS 20 1HE HIS 20 16.506 0.409 -3.264 143 H LYS 21 H LYS 21 10.712 0.449 -0.402 144 HA LYS 21 HA LYS 21 10.815 -2.372 0.427 145 1HB LYS 21 2HB LYS 21 10.460 0.201 2.014 146 2HB LYS 21 3HB LYS 21 10.395 -1.418 2.717 147 1HG LYS 21 2HG LYS 21 12.685 -1.901 1.942 148 2HG LYS 21 3HG LYS 21 12.761 -0.312 1.200 149 1HD LYS 21 2HD LYS 21 12.125 0.512 3.693 150 2HD LYS 21 3HD LYS 21 12.720 -1.089 4.133 151 1HE LYS 21 2HE LYS 21 14.593 0.399 4.354 152 2HE LYS 21 3HE LYS 21 14.877 -0.519 2.863 153 1HZ LYS 21 1HZ LYS 21 13.842 1.385 1.695 154 2HZ LYS 21 2HZ LYS 21 13.845 2.245 3.080 155 3HZ LYS 21 3HZ LYS 21 15.254 1.809 2.355 156 H ILE 22 H ILE 22 8.431 0.329 0.301 157 HA ILE 22 HA ILE 22 6.287 -1.253 1.365 158 HB ILE 22 HB ILE 22 5.959 1.046 -0.604 159 1HG1 ILE 22 2HG1 ILE 22 6.521 1.029 2.366 160 2HG1 ILE 22 3HG1 ILE 22 7.333 1.935 1.068 161 1HG2 ILE 22 1HG2 ILE 22 3.747 1.235 0.581 162 2HG2 ILE 22 2HG2 ILE 22 3.964 -0.325 -0.186 163 3HG2 ILE 22 3HG2 ILE 22 4.185 -0.171 1.567 164 1HD1 ILE 22 1HD1 ILE 22 4.591 2.486 2.228 165 2HD1 ILE 22 2HD1 ILE 22 6.039 3.485 2.298 166 3HD1 ILE 22 3HD1 ILE 22 5.220 3.254 0.741 167 H GLU 23 H GLU 23 7.137 -0.453 -2.052 168 HA GLU 23 HA GLU 23 5.169 -2.054 -3.234 169 1HB GLU 23 2HB GLU 23 7.938 -1.366 -4.307 170 2HB GLU 23 3HB GLU 23 6.592 -1.991 -5.266 171 1HG GLU 23 2HG GLU 23 5.211 -0.050 -4.644 172 2HG GLU 23 3HG GLU 23 6.531 0.624 -3.695 173 H SER 24 H SER 24 8.609 -3.008 -2.620 174 HA SER 24 HA SER 24 8.321 -5.665 -3.546 175 1HB SER 24 2HB SER 24 10.489 -4.527 -3.160 176 2HB SER 24 3HB SER 24 10.220 -4.620 -1.407 177 HG SER 24 HG SER 24 10.340 -6.844 -3.176 178 H SER 25 H SER 25 7.989 -4.329 -0.187 179 HA SER 25 HA SER 25 7.621 -6.948 0.891 180 1HB SER 25 2HB SER 25 8.480 -4.879 2.079 181 2HB SER 25 3HB SER 25 6.787 -4.385 2.258 182 HG SER 25 HG SER 25 7.570 -5.637 4.042 183 H LEU 26 H LEU 26 5.353 -4.571 -0.451 184 HA LEU 26 HA LEU 26 3.001 -6.068 0.393 185 1HB LEU 26 2HB LEU 26 3.472 -4.016 -1.779 186 2HB LEU 26 3HB LEU 26 1.907 -4.771 -1.496 187 HG LEU 26 HG LEU 26 3.441 -3.222 0.627 188 1HD1 LEU 26 1HD1 LEU 26 1.092 -2.430 -1.134 189 2HD1 LEU 26 2HD1 LEU 26 1.779 -1.432 0.167 190 3HD1 LEU 26 3HD1 LEU 26 2.751 -1.822 -1.266 191 1HD2 LEU 26 1HD2 LEU 26 1.277 -3.124 1.805 192 2HD2 LEU 26 2HD2 LEU 26 0.563 -4.213 0.596 193 3HD2 LEU 26 3HD2 LEU 26 1.853 -4.778 1.686 194 H THR 27 H THR 27 4.898 -5.963 -2.658 195 HA THR 27 HA THR 27 3.331 -8.058 -3.882 196 HB THR 27 HB THR 27 5.042 -7.994 -5.670 197 HG1 THR 27 1HG THR 27 6.103 -5.844 -4.155 198 1HG2 THR 27 1HG2 THR 27 3.850 -5.314 -4.820 199 2HG2 THR 27 2HG2 THR 27 4.419 -5.737 -6.447 200 3HG2 THR 27 3HG2 THR 27 3.025 -6.582 -5.750 201 H LYS 28 H LYS 28 3.451 -9.361 -2.037 202 HA LYS 28 HA LYS 28 4.818 -11.764 -2.547 203 1HB LYS 28 2HB LYS 28 6.148 -12.056 -0.525 204 2HB LYS 28 3HB LYS 28 6.795 -10.763 -1.537 205 1HG LYS 28 2HG LYS 28 5.727 -9.088 -0.088 206 2HG LYS 28 3HG LYS 28 5.111 -10.384 0.970 207 1HD LYS 28 2HD LYS 28 7.735 -11.060 0.932 208 2HD LYS 28 3HD LYS 28 7.921 -9.333 0.657 209 1HE LYS 28 2HE LYS 28 6.450 -10.718 2.965 210 2HE LYS 28 3HE LYS 28 8.046 -9.972 3.085 211 1HZ LYS 28 1HZ LYS 28 7.074 -7.823 2.910 212 2HZ LYS 28 2HZ LYS 28 5.667 -8.391 2.341 213 3HZ LYS 28 3HZ LYS 28 6.089 -8.651 3.912 214 H HIS 29 H HIS 29 2.939 -9.724 -0.200 215 HA HIS 29 HA HIS 29 1.927 -12.055 1.159 216 1HB HIS 29 2HB HIS 29 0.521 -10.627 2.366 217 2HB HIS 29 3HB HIS 29 2.071 -9.813 2.200 218 HD1 HIS 29 1HD HIS 29 -1.430 -9.693 0.476 219 HD2 HIS 29 2HD HIS 29 1.716 -7.287 1.871 220 HE1 HIS 29 1HE HIS 29 -2.194 -7.273 0.235 221 H ARG 30 H ARG 30 0.081 -13.216 0.794 222 HA ARG 30 HA ARG 30 -1.149 -13.356 -1.744 223 1HB ARG 30 2HB ARG 30 -2.147 -14.071 1.052 224 2HB ARG 30 3HB ARG 30 -3.085 -14.410 -0.398 225 1HG ARG 30 2HG ARG 30 -0.299 -15.528 0.162 226 2HG ARG 30 3HG ARG 30 -1.837 -16.364 0.399 227 1HD ARG 30 2HD ARG 30 -2.220 -15.730 -2.193 228 2HD ARG 30 3HD ARG 30 -0.473 -15.554 -2.178 229 HE ARG 30 HE ARG 30 -0.204 -17.814 -2.069 230 1HH1 ARG 30 2HH2 ARG 30 -3.518 -17.050 -1.165 231 2HH1 ARG 30 1HH2 ARG 30 -4.121 -18.673 -1.292 232 1HH2 ARG 30 2HH1 ARG 30 -0.945 -20.010 -2.223 233 2HH2 ARG 30 1HH1 ARG 30 -2.597 -20.402 -1.877 234 H GLY 31 H GLY 31 -2.990 -12.413 -2.642 235 1HA GLY 31 2HA GLY 31 -4.933 -11.214 -2.641 236 2HA GLY 31 1HA GLY 31 -4.661 -10.613 -1.024 237 H ILE 32 H ILE 32 -1.723 -9.798 -2.077 238 HA ILE 32 HA ILE 32 -2.602 -7.323 -3.468 239 HB ILE 32 HB ILE 32 -0.214 -8.093 -1.974 240 1HG1 ILE 32 2HG1 ILE 32 -1.745 -5.959 -1.884 241 2HG1 ILE 32 3HG1 ILE 32 -0.014 -5.830 -1.608 242 1HG2 ILE 32 1HG2 ILE 32 1.418 -6.971 -3.472 243 2HG2 ILE 32 2HG2 ILE 32 0.903 -8.565 -4.040 244 3HG2 ILE 32 3HG2 ILE 32 0.253 -7.091 -4.804 245 1HD1 ILE 32 1HD1 ILE 32 -0.816 -4.032 -3.045 246 2HD1 ILE 32 2HD1 ILE 32 0.348 -5.011 -3.902 247 3HD1 ILE 32 3HD1 ILE 32 -1.386 -5.224 -4.235 248 H LEU 33 H LEU 33 -2.629 -7.227 -5.593 249 HA LEU 33 HA LEU 33 -1.595 -9.483 -7.244 250 1HB LEU 33 2HB LEU 33 -3.429 -7.167 -7.977 251 2HB LEU 33 3HB LEU 33 -2.929 -8.504 -9.014 252 HG LEU 33 HG LEU 33 -4.524 -8.921 -6.477 253 1HD1 LEU 33 1HD1 LEU 33 -5.505 -8.719 -9.352 254 2HD1 LEU 33 2HD1 LEU 33 -6.486 -9.159 -7.938 255 3HD1 LEU 33 3HD1 LEU 33 -5.807 -7.530 -8.066 256 1HD2 LEU 33 1HD2 LEU 33 -3.881 -10.698 -8.875 257 2HD2 LEU 33 2HD2 LEU 33 -3.341 -10.936 -7.195 258 3HD2 LEU 33 3HD2 LEU 33 -5.049 -11.105 -7.608 259 H TYR 34 H TYR 34 -1.557 -5.840 -6.870 260 HA TYR 34 HA TYR 34 1.264 -5.862 -7.564 261 1HB TYR 34 2HB TYR 34 0.329 -5.914 -9.820 262 2HB TYR 34 3HB TYR 34 -0.796 -4.620 -9.432 263 HD1 TYR 34 HD1 TYR 34 -0.188 -2.363 -9.770 264 HD2 TYR 34 HD2 TYR 34 2.865 -5.389 -9.630 265 HE1 TYR 34 HE1 TYR 34 1.512 -0.678 -10.454 266 HE2 TYR 34 HE2 TYR 34 4.574 -3.698 -10.255 267 HH TYR 34 HH TYR 34 4.977 -1.445 -10.648 268 H CYS 35 H CYS 35 2.252 -3.764 -7.113 269 HA CYS 35 HA CYS 35 0.529 -1.714 -5.847 270 1HB CYS 35 2HB CYS 35 1.503 -2.875 -3.881 271 2HB CYS 35 3HB CYS 35 3.096 -2.903 -4.670 272 HG CYS 35 HG CYS 35 1.231 -0.359 -3.711 273 H SER 36 H SER 36 1.290 0.349 -6.350 274 HA SER 36 HA SER 36 4.089 0.489 -6.478 275 1HB SER 36 2HB SER 36 3.755 0.650 -8.889 276 2HB SER 36 3HB SER 36 2.607 1.990 -8.668 277 HG SER 36 HG SER 36 5.251 2.109 -7.624 278 H VAL 37 H VAL 37 4.799 2.516 -5.546 279 HA VAL 37 HA VAL 37 2.613 4.219 -4.467 280 HB VAL 37 HB VAL 37 3.572 4.308 -2.307 281 1HG1 VAL 37 1HG1 VAL 37 2.498 2.005 -2.911 282 2HG1 VAL 37 2HG1 VAL 37 4.165 1.409 -2.986 283 3HG1 VAL 37 3HG1 VAL 37 3.554 2.088 -1.482 284 1HG2 VAL 37 1HG2 VAL 37 5.952 2.775 -3.391 285 2HG2 VAL 37 2HG2 VAL 37 5.971 4.479 -2.846 286 3HG2 VAL 37 3HG2 VAL 37 5.691 3.169 -1.686 287 H ALA 38 H ALA 38 3.015 6.407 -4.358 288 HA ALA 38 HA ALA 38 5.631 7.306 -5.509 289 1HB ALA 38 1HB ALA 38 4.054 7.324 -7.347 290 2HB ALA 38 2HB ALA 38 2.929 8.331 -6.398 291 3HB ALA 38 3HB ALA 38 4.544 8.960 -6.837 292 H LEU 39 H LEU 39 6.544 8.850 -4.533 293 HA LEU 39 HA LEU 39 5.545 9.858 -2.015 294 1HB LEU 39 2HB LEU 39 7.695 10.873 -1.747 295 2HB LEU 39 3HB LEU 39 7.841 9.220 -2.327 296 HG LEU 39 HG LEU 39 7.959 10.492 -4.735 297 1HD1 LEU 39 1HD1 LEU 39 9.230 12.448 -2.757 298 2HD1 LEU 39 2HD1 LEU 39 9.332 12.527 -4.526 299 3HD1 LEU 39 3HD1 LEU 39 7.783 12.794 -3.718 300 1HD2 LEU 39 1HD2 LEU 39 10.262 10.176 -2.784 301 2HD2 LEU 39 2HD2 LEU 39 9.606 8.900 -3.833 302 3HD2 LEU 39 3HD2 LEU 39 10.405 10.311 -4.549 303 H ALA 40 H ALA 40 5.721 11.122 -5.296 304 HA ALA 40 HA ALA 40 5.479 13.866 -4.842 305 1HB ALA 40 1HB ALA 40 5.825 12.864 -7.062 306 2HB ALA 40 2HB ALA 40 4.178 12.193 -7.038 307 3HB ALA 40 3HB ALA 40 4.423 13.952 -7.073 308 H THR 41 H THR 41 2.920 11.374 -4.877 309 HA THR 41 HA THR 41 0.911 13.355 -3.932 310 HB THR 41 HB THR 41 -0.036 12.131 -5.625 311 HG1 THR 41 1HG THR 41 -1.164 12.062 -3.524 312 1HG2 THR 41 1HG2 THR 41 1.543 10.369 -6.063 313 2HG2 THR 41 2HG2 THR 41 1.201 9.600 -4.495 314 3HG2 THR 41 3HG2 THR 41 -0.033 9.638 -5.766 315 H ASN 42 H ASN 42 2.898 10.614 -2.926 316 HA ASN 42 HA ASN 42 3.574 9.929 -0.892 317 1HB ASN 42 2HB ASN 42 1.537 11.682 0.540 318 2HB ASN 42 3HB ASN 42 2.871 10.769 1.217 319 1HD2 ASN 42 1HD2 ASN 42 2.067 13.542 -0.826 320 2HD2 ASN 42 2HD2 ASN 42 3.604 14.384 -0.593 321 H LYS 43 H LYS 43 1.874 8.597 -2.632 322 HA LYS 43 HA LYS 43 -0.173 7.397 -0.856 323 1HB LYS 43 2HB LYS 43 -1.085 9.177 -2.365 324 2HB LYS 43 3HB LYS 43 -0.487 8.235 -3.739 325 1HG LYS 43 2HG LYS 43 -1.994 6.351 -2.369 326 2HG LYS 43 3HG LYS 43 -2.886 7.821 -2.002 327 1HD LYS 43 2HD LYS 43 -1.962 6.901 -4.766 328 2HD LYS 43 3HD LYS 43 -3.506 6.458 -4.035 329 1HE LYS 43 2HE LYS 43 -4.032 8.978 -3.848 330 2HE LYS 43 3HE LYS 43 -2.597 9.249 -4.847 331 1HZ LYS 43 1HZ LYS 43 -3.807 7.540 -6.392 332 2HZ LYS 43 2HZ LYS 43 -5.108 7.835 -5.562 333 3HZ LYS 43 3HZ LYS 43 -4.409 9.104 -6.358 334 H ALA 44 H ALA 44 -0.536 5.285 -1.113 335 HA ALA 44 HA ALA 44 1.113 3.722 -3.050 336 1HB ALA 44 1HB ALA 44 1.537 3.057 -0.697 337 2HB ALA 44 2HB ALA 44 -0.205 2.879 -0.430 338 3HB ALA 44 3HB ALA 44 0.628 1.794 -1.548 339 H HIS 45 H HIS 45 -0.041 2.547 -4.617 340 HA HIS 45 HA HIS 45 -2.954 2.239 -4.101 341 1HB HIS 45 2HB HIS 45 -3.370 1.995 -6.349 342 2HB HIS 45 3HB HIS 45 -2.307 3.400 -6.288 343 HD1 HIS 45 1HD HIS 45 -0.581 3.264 -8.216 344 HD2 HIS 45 2HD HIS 45 -1.952 -0.451 -6.817 345 HE1 HIS 45 1HE HIS 45 0.332 1.493 -9.821 346 H ILE 46 H ILE 46 -3.703 0.153 -4.179 347 HA ILE 46 HA ILE 46 -1.756 -2.099 -4.308 348 HB ILE 46 HB ILE 46 -3.630 -1.244 -2.103 349 1HG1 ILE 46 2HG1 ILE 46 -1.344 -2.467 -1.007 350 2HG1 ILE 46 3HG1 ILE 46 -0.708 -1.659 -2.435 351 1HG2 ILE 46 1HG2 ILE 46 -3.015 -4.089 -2.763 352 2HG2 ILE 46 2HG2 ILE 46 -3.193 -3.584 -1.079 353 3HG2 ILE 46 3HG2 ILE 46 -4.515 -3.308 -2.199 354 1HD1 ILE 46 1HD1 ILE 46 -0.687 -0.231 -0.403 355 2HD1 ILE 46 2HD1 ILE 46 -1.717 0.474 -1.671 356 3HD1 ILE 46 3HD1 ILE 46 -2.458 -0.407 -0.319 357 H LYS 47 H LYS 47 -2.392 -2.993 -6.107 358 HA LYS 47 HA LYS 47 -5.230 -3.217 -6.905 359 1HB LYS 47 2HB LYS 47 -2.768 -4.300 -8.318 360 2HB LYS 47 3HB LYS 47 -4.423 -4.154 -8.923 361 1HG LYS 47 2HG LYS 47 -4.069 -1.576 -8.426 362 2HG LYS 47 3HG LYS 47 -2.354 -1.993 -8.416 363 1HD LYS 47 2HD LYS 47 -2.559 -2.987 -10.681 364 2HD LYS 47 3HD LYS 47 -4.304 -2.657 -10.681 365 1HE LYS 47 2HE LYS 47 -3.853 -0.211 -10.501 366 2HE LYS 47 3HE LYS 47 -2.111 -0.534 -10.551 367 1HZ LYS 47 1HZ LYS 47 -4.014 -1.164 -12.705 368 2HZ LYS 47 2HZ LYS 47 -2.947 0.086 -12.691 369 3HZ LYS 47 3HZ LYS 47 -2.393 -1.460 -12.739 370 H TYR 48 H TYR 48 -6.276 -5.094 -6.276 371 HA TYR 48 HA TYR 48 -4.776 -7.243 -4.989 372 1HB TYR 48 2HB TYR 48 -4.815 -6.373 -2.870 373 2HB TYR 48 3HB TYR 48 -4.841 -4.868 -3.724 374 HD1 TYR 48 HD1 TYR 48 -6.533 -6.957 -1.399 375 HD2 TYR 48 HD2 TYR 48 -7.149 -3.732 -4.170 376 HE1 TYR 48 HE1 TYR 48 -8.388 -6.130 0.009 377 HE2 TYR 48 HE2 TYR 48 -9.080 -2.946 -2.816 378 HH TYR 48 HH TYR 48 -9.976 -4.494 0.279 379 H ASP 49 H ASP 49 -6.242 -8.541 -3.630 380 HA ASP 49 HA ASP 49 -8.794 -9.082 -5.039 381 1HB ASP 49 2HB ASP 49 -7.126 -10.702 -3.102 382 2HB ASP 49 3HB ASP 49 -8.568 -11.260 -3.966 383 HA PRO 50 HA PRO 50 -10.443 -7.342 -0.993 384 1HB PRO 50 2HB PRO 50 -12.695 -6.139 -1.933 385 2HB PRO 50 3HB PRO 50 -11.100 -5.402 -2.179 386 1HG PRO 50 2HG PRO 50 -12.569 -7.187 -4.118 387 2HG PRO 50 3HG PRO 50 -11.937 -5.544 -4.435 388 1HD PRO 50 2HD PRO 50 -10.471 -7.713 -5.088 389 2HD PRO 50 3HD PRO 50 -9.687 -6.300 -4.315 390 H GLU 51 H GLU 51 -10.420 -9.984 -1.507 391 HA GLU 51 HA GLU 51 -13.066 -11.028 -0.834 392 1HB GLU 51 2HB GLU 51 -12.980 -12.560 -2.883 393 2HB GLU 51 3HB GLU 51 -13.387 -10.870 -3.171 394 1HG GLU 51 2HG GLU 51 -10.985 -10.448 -3.872 395 2HG GLU 51 3HG GLU 51 -10.715 -12.196 -3.735 396 H ILE 52 H ILE 52 -10.359 -10.774 0.324 397 HA ILE 52 HA ILE 52 -10.011 -13.359 1.452 398 HB ILE 52 HB ILE 52 -8.986 -13.958 -0.575 399 1HG1 ILE 52 2HG1 ILE 52 -7.876 -14.633 1.573 400 2HG1 ILE 52 3HG1 ILE 52 -6.981 -14.821 0.062 401 1HG2 ILE 52 1HG2 ILE 52 -8.543 -11.888 -1.652 402 2HG2 ILE 52 2HG2 ILE 52 -7.224 -11.498 -0.533 403 3HG2 ILE 52 3HG2 ILE 52 -7.083 -12.879 -1.633 404 1HD1 ILE 52 1HD1 ILE 52 -5.492 -14.032 1.789 405 2HD1 ILE 52 2HD1 ILE 52 -5.667 -12.777 0.554 406 3HD1 ILE 52 3HD1 ILE 52 -6.507 -12.628 2.113 407 H ILE 53 H ILE 53 -8.442 -10.265 0.636 408 HA ILE 53 HA ILE 53 -7.540 -9.987 3.477 409 HB ILE 53 HB ILE 53 -5.882 -10.470 1.557 410 1HG1 ILE 53 2HG1 ILE 53 -5.355 -7.935 3.092 411 2HG1 ILE 53 3HG1 ILE 53 -5.403 -9.551 3.852 412 1HG2 ILE 53 1HG2 ILE 53 -6.921 -8.886 -0.081 413 2HG2 ILE 53 2HG2 ILE 53 -6.349 -7.531 0.918 414 3HG2 ILE 53 3HG2 ILE 53 -5.194 -8.620 0.141 415 1HD1 ILE 53 1HD1 ILE 53 -3.096 -8.964 3.302 416 2HD1 ILE 53 2HD1 ILE 53 -3.669 -10.379 2.387 417 3HD1 ILE 53 3HD1 ILE 53 -3.540 -8.790 1.592 418 H GLY 54 H GLY 54 -7.405 -7.729 4.304 419 1HA GLY 54 2HA GLY 54 -9.529 -6.000 3.075 420 2HA GLY 54 1HA GLY 54 -9.251 -6.275 4.803 421 HA PRO 55 HA PRO 55 -6.760 -2.522 3.434 422 1HB PRO 55 2HB PRO 55 -7.943 -0.725 5.151 423 2HB PRO 55 3HB PRO 55 -8.516 -1.038 3.490 424 1HG PRO 55 2HG PRO 55 -9.585 -2.214 6.062 425 2HG PRO 55 3HG PRO 55 -10.508 -1.506 4.707 426 1HD PRO 55 2HD PRO 55 -10.180 -4.188 4.947 427 2HD PRO 55 3HD PRO 55 -10.134 -3.413 3.339 428 H ARG 56 H ARG 56 -8.008 -3.763 6.522 429 HA ARG 56 HA ARG 56 -6.183 -2.779 8.365 430 1HB ARG 56 2HB ARG 56 -7.467 -5.538 8.226 431 2HB ARG 56 3HB ARG 56 -6.646 -4.870 9.645 432 1HG ARG 56 2HG ARG 56 -8.253 -3.024 9.777 433 2HG ARG 56 3HG ARG 56 -9.096 -3.611 8.325 434 1HD ARG 56 2HD ARG 56 -9.573 -5.754 9.454 435 2HD ARG 56 3HD ARG 56 -8.765 -5.157 10.928 436 HE ARG 56 HE ARG 56 -10.702 -3.246 10.276 437 1HH1 ARG 56 2HH2 ARG 56 -10.622 -6.639 11.199 438 2HH1 ARG 56 1HH2 ARG 56 -12.197 -6.665 11.929 439 1HH2 ARG 56 2HH1 ARG 56 -12.811 -3.216 11.242 440 2HH2 ARG 56 1HH1 ARG 56 -13.468 -4.650 11.959 441 H ASP 57 H ASP 57 -5.850 -5.886 6.470 442 HA ASP 57 HA ASP 57 -3.481 -6.696 7.660 443 1HB ASP 57 2HB ASP 57 -4.186 -7.151 4.753 444 2HB ASP 57 3HB ASP 57 -3.336 -8.245 5.848 445 H ILE 58 H ILE 58 -3.967 -4.861 4.648 446 HA ILE 58 HA ILE 58 -1.256 -4.438 3.912 447 HB ILE 58 HB ILE 58 -3.660 -2.619 3.513 448 1HG1 ILE 58 2HG1 ILE 58 -2.539 -4.502 1.414 449 2HG1 ILE 58 3HG1 ILE 58 -3.758 -5.071 2.566 450 1HG2 ILE 58 1HG2 ILE 58 -1.557 -1.398 3.127 451 2HG2 ILE 58 2HG2 ILE 58 -0.983 -2.700 2.067 452 3HG2 ILE 58 3HG2 ILE 58 -2.353 -1.686 1.599 453 1HD1 ILE 58 1HD1 ILE 58 -4.870 -4.226 0.569 454 2HD1 ILE 58 2HD1 ILE 58 -5.252 -3.232 1.993 455 3HD1 ILE 58 3HD1 ILE 58 -4.103 -2.632 0.796 456 H ILE 59 H ILE 59 -3.537 -2.404 5.800 457 HA ILE 59 HA ILE 59 -1.833 -0.277 6.303 458 HB ILE 59 HB ILE 59 -4.235 -1.414 7.662 459 1HG1 ILE 59 2HG1 ILE 59 -3.773 1.370 6.577 460 2HG1 ILE 59 3HG1 ILE 59 -4.211 -0.007 5.551 461 1HG2 ILE 59 1HG2 ILE 59 -2.618 0.869 8.856 462 2HG2 ILE 59 2HG2 ILE 59 -4.285 0.474 9.298 463 3HG2 ILE 59 3HG2 ILE 59 -3.004 -0.676 9.624 464 1HD1 ILE 59 1HD1 ILE 59 -6.236 1.080 6.121 465 2HD1 ILE 59 2HD1 ILE 59 -6.190 -0.433 7.045 466 3HD1 ILE 59 3HD1 ILE 59 -5.847 1.115 7.850 467 H HIS 60 H HIS 60 -2.311 -3.214 8.340 468 HA HIS 60 HA HIS 60 -0.370 -2.356 10.280 469 1HB HIS 60 2HB HIS 60 -1.516 -5.108 9.731 470 2HB HIS 60 3HB HIS 60 -0.579 -4.645 11.163 471 HD1 HIS 60 1HD HIS 60 -1.958 -1.829 11.792 472 HD2 HIS 60 2HD HIS 60 -3.964 -5.374 10.675 473 HE1 HIS 60 1HE HIS 60 -4.378 -1.582 12.551 474 H THR 61 H THR 61 -0.193 -4.343 7.380 475 HA THR 61 HA THR 61 2.511 -5.231 7.669 476 HB THR 61 HB THR 61 0.853 -4.605 5.202 477 HG1 THR 61 1HG THR 61 0.016 -6.239 6.416 478 1HG2 THR 61 1HG2 THR 61 3.241 -4.636 4.549 479 2HG2 THR 61 2HG2 THR 61 3.476 -6.147 5.461 480 3HG2 THR 61 3HG2 THR 61 2.439 -6.124 4.020 481 H ILE 62 H ILE 62 1.164 -2.193 6.249 482 HA ILE 62 HA ILE 62 3.788 -1.161 5.597 483 HB ILE 62 HB ILE 62 1.054 0.118 5.724 484 1HG1 ILE 62 2HG1 ILE 62 2.828 -0.755 3.397 485 2HG1 ILE 62 3HG1 ILE 62 1.410 -1.624 3.974 486 1HG2 ILE 62 1HG2 ILE 62 2.831 1.838 6.105 487 2HG2 ILE 62 2HG2 ILE 62 3.654 1.284 4.630 488 3HG2 ILE 62 3HG2 ILE 62 2.047 2.035 4.555 489 1HD1 ILE 62 1HD1 ILE 62 1.449 1.097 2.632 490 2HD1 ILE 62 2HD1 ILE 62 0.696 -0.401 2.075 491 3HD1 ILE 62 3HD1 ILE 62 0.027 0.445 3.484 492 H GLU 63 H GLU 63 1.533 -0.586 8.361 493 HA GLU 63 HA GLU 63 3.003 1.327 9.776 494 1HB GLU 63 2HB GLU 63 1.371 -1.039 10.757 495 2HB GLU 63 3HB GLU 63 2.013 0.198 11.832 496 1HG GLU 63 2HG GLU 63 0.740 1.947 10.803 497 2HG GLU 63 3HG GLU 63 0.197 0.904 9.495 498 H SER 64 H SER 64 3.403 -2.238 9.748 499 HA SER 64 HA SER 64 5.545 -2.461 11.515 500 1HB SER 64 2HB SER 64 4.217 -4.292 10.328 501 2HB SER 64 3HB SER 64 5.332 -4.082 8.958 502 HG SER 64 HG SER 64 5.970 -5.719 10.476 503 H LEU 65 H LEU 65 5.653 -1.229 8.162 504 HA LEU 65 HA LEU 65 8.589 -1.306 8.018 505 1HB LEU 65 2HB LEU 65 6.615 0.153 6.240 506 2HB LEU 65 3HB LEU 65 8.312 -0.183 5.900 507 HG LEU 65 HG LEU 65 6.105 -2.273 6.150 508 1HD1 LEU 65 1HD1 LEU 65 5.928 -0.839 4.140 509 2HD1 LEU 65 2HD1 LEU 65 7.605 -1.242 3.709 510 3HD1 LEU 65 3HD1 LEU 65 6.357 -2.507 3.731 511 1HD2 LEU 65 1HD2 LEU 65 9.048 -2.557 5.392 512 2HD2 LEU 65 2HD2 LEU 65 8.256 -3.243 6.831 513 3HD2 LEU 65 3HD2 LEU 65 7.819 -3.828 5.222 514 H GLY 66 H GLY 66 6.292 0.757 9.536 515 1HA GLY 66 2HA GLY 66 6.733 2.600 10.818 516 2HA GLY 66 1HA GLY 66 8.378 2.697 10.180 517 H PHE 67 H PHE 67 5.163 2.738 8.543 518 HA PHE 67 HA PHE 67 5.507 5.595 7.822 519 1HB PHE 67 2HB PHE 67 4.476 3.475 5.914 520 2HB PHE 67 3HB PHE 67 4.765 5.169 5.555 521 HD1 PHE 67 1HD PHE 67 7.452 5.771 6.343 522 HD2 PHE 67 2HD PHE 67 5.957 2.026 4.826 523 HE1 PHE 67 1HE PHE 67 9.677 5.276 5.374 524 HE2 PHE 67 2HE PHE 67 8.210 1.499 3.933 525 HZ PHE 67 HZ PHE 67 10.052 3.137 4.158 526 H GLU 68 H GLU 68 3.334 6.606 7.495 527 HA GLU 68 HA GLU 68 1.208 5.241 9.070 528 1HB GLU 68 2HB GLU 68 1.454 8.032 7.899 529 2HB GLU 68 3HB GLU 68 0.113 7.394 8.839 530 1HG GLU 68 2HG GLU 68 1.534 7.307 10.834 531 2HG GLU 68 3HG GLU 68 2.925 7.870 9.876 532 HA PRO 69 HA PRO 69 -0.681 4.920 4.867 533 1HB PRO 69 2HB PRO 69 -2.037 2.582 5.055 534 2HB PRO 69 3HB PRO 69 -0.260 2.592 4.827 535 1HG PRO 69 2HG PRO 69 -1.785 2.300 7.404 536 2HG PRO 69 3HG PRO 69 -0.458 1.281 6.799 537 1HD PRO 69 2HD PRO 69 -0.055 3.360 8.579 538 2HD PRO 69 3HD PRO 69 1.156 2.870 7.359 539 H SER 70 H SER 70 -2.741 5.794 4.475 540 HA SER 70 HA SER 70 -4.892 5.518 6.486 541 1HB SER 70 2HB SER 70 -5.058 8.089 6.509 542 2HB SER 70 3HB SER 70 -3.815 7.303 7.491 543 HG SER 70 HG SER 70 -2.559 7.692 5.278 544 H LEU 71 H LEU 71 -6.788 5.190 5.389 545 HA LEU 71 HA LEU 71 -6.755 4.938 2.630 546 1HB LEU 71 2HB LEU 71 -9.167 5.257 4.465 547 2HB LEU 71 3HB LEU 71 -9.110 4.470 2.890 548 HG LEU 71 HG LEU 71 -9.192 2.791 4.422 549 1HD1 LEU 71 1HD1 LEU 71 -7.424 2.516 2.638 550 2HD1 LEU 71 2HD1 LEU 71 -6.207 2.870 3.883 551 3HD1 LEU 71 3HD1 LEU 71 -7.250 1.445 4.035 552 1HD2 LEU 71 1HD2 LEU 71 -8.482 4.152 6.460 553 2HD2 LEU 71 2HD2 LEU 71 -8.213 2.407 6.425 554 3HD2 LEU 71 3HD2 LEU 71 -6.854 3.490 6.152 555 H VAL 72 H VAL 72 -7.296 6.232 0.944 556 HA VAL 72 HA VAL 72 -8.923 8.657 1.397 557 HB VAL 72 HB VAL 72 -6.191 8.793 0.069 558 1HG1 VAL 72 1HG1 VAL 72 -6.706 11.224 -0.176 559 2HG1 VAL 72 2HG1 VAL 72 -7.791 10.229 -1.141 560 3HG1 VAL 72 3HG1 VAL 72 -8.360 10.917 0.392 561 1HG2 VAL 72 1HG2 VAL 72 -5.804 10.554 1.868 562 2HG2 VAL 72 2HG2 VAL 72 -7.317 10.046 2.624 563 3HG2 VAL 72 3HG2 VAL 72 -5.949 8.916 2.502 564 H LYS 73 H LYS 73 -7.356 6.462 -1.015 565 HA LYS 73 HA LYS 73 -7.647 6.405 -3.233 566 1HB LYS 73 2HB LYS 73 -9.806 5.628 -4.021 567 2HB LYS 73 3HB LYS 73 -9.137 4.713 -2.696 568 1HG LYS 73 2HG LYS 73 -11.251 6.824 -2.170 569 2HG LYS 73 3HG LYS 73 -11.665 5.221 -2.778 570 1HD LYS 73 2HD LYS 73 -10.283 4.291 -0.771 571 2HD LYS 73 3HD LYS 73 -10.437 5.911 -0.089 572 1HE LYS 73 2HE LYS 73 -12.687 4.004 -0.833 573 2HE LYS 73 3HE LYS 73 -12.184 4.491 0.793 574 1HZ LYS 73 1HZ LYS 73 -14.139 5.725 0.107 575 2HZ LYS 73 2HZ LYS 73 -12.913 6.815 0.157 576 3HZ LYS 73 3HZ LYS 73 -13.394 6.295 -1.235 577 H ILE 74 H ILE 74 -10.586 7.614 -4.015 578 HA ILE 74 HA ILE 74 -9.404 10.261 -4.730 579 HB ILE 74 HB ILE 74 -12.075 9.177 -5.704 580 1HG1 ILE 74 2HG1 ILE 74 -10.585 9.075 -7.916 581 2HG1 ILE 74 3HG1 ILE 74 -9.289 8.714 -6.772 582 1HG2 ILE 74 1HG2 ILE 74 -11.607 11.668 -5.708 583 2HG2 ILE 74 2HG2 ILE 74 -10.226 11.351 -6.769 584 3HG2 ILE 74 3HG2 ILE 74 -11.876 10.970 -7.309 585 1HD1 ILE 74 1HD1 ILE 74 -10.655 6.753 -5.956 586 2HD1 ILE 74 2HD1 ILE 74 -11.940 7.210 -7.092 587 3HD1 ILE 74 3HD1 ILE 74 -10.361 6.679 -7.697 588 H GLU 75 H GLU 75 -12.694 9.141 -3.765 589 HA GLU 75 HA GLU 75 -12.523 10.681 -1.235 590 1HB GLU 75 2HB GLU 75 -15.044 9.940 -2.798 591 2HB GLU 75 3HB GLU 75 -14.906 10.917 -1.338 592 1HG GLU 75 2HG GLU 75 -15.232 12.531 -2.986 593 2HG GLU 75 3HG GLU 75 -13.475 12.550 -2.792 Start of MODEL 6 1 1H MET 1 H1 MET 1 -15.597 -11.347 -6.179 2 2H MET 1 H2 MET 1 -16.369 -12.668 -6.823 3 3H MET 1 H3 MET 1 -14.824 -12.699 -6.202 4 HA MET 1 HA MET 1 -15.011 -12.626 -8.746 5 1HB MET 1 2HB MET 1 -15.752 -9.761 -8.023 6 2HB MET 1 3HB MET 1 -15.330 -10.340 -9.642 7 1HG MET 1 2HG MET 1 -17.252 -11.947 -9.526 8 2HG MET 1 3HG MET 1 -17.756 -11.190 -8.008 9 1HE MET 1 1HE MET 1 -17.157 -8.035 -8.690 10 2HE MET 1 2HE MET 1 -18.794 -7.603 -9.221 11 3HE MET 1 3HE MET 1 -18.576 -8.674 -7.818 12 H GLY 2 H GLY 2 -13.808 -10.304 -6.248 13 1HA GLY 2 2HA GLY 2 -11.662 -10.254 -5.520 14 2HA GLY 2 1HA GLY 2 -11.111 -11.182 -6.925 15 H ASP 3 H ASP 3 -9.433 -9.503 -6.419 16 HA ASP 3 HA ASP 3 -8.169 -7.730 -6.880 17 1HB ASP 3 2HB ASP 3 -8.672 -8.299 -9.254 18 2HB ASP 3 3HB ASP 3 -10.000 -7.128 -9.235 19 H GLY 4 H GLY 4 -8.049 -5.296 -7.011 20 1HA GLY 4 2HA GLY 4 -10.346 -3.752 -6.123 21 2HA GLY 4 1HA GLY 4 -9.162 -4.055 -4.831 22 H VAL 5 H VAL 5 -9.531 -1.517 -5.434 23 HA VAL 5 HA VAL 5 -6.948 -0.645 -6.437 24 HB VAL 5 HB VAL 5 -8.075 -0.747 -8.527 25 1HG1 VAL 5 1HG1 VAL 5 -10.103 0.507 -9.087 26 2HG1 VAL 5 2HG1 VAL 5 -10.433 -0.729 -7.869 27 3HG1 VAL 5 3HG1 VAL 5 -10.320 0.976 -7.395 28 1HG2 VAL 5 1HG2 VAL 5 -7.659 1.408 -9.338 29 2HG2 VAL 5 2HG2 VAL 5 -8.117 2.200 -7.826 30 3HG2 VAL 5 3HG2 VAL 5 -6.623 1.254 -7.904 31 H LEU 6 H LEU 6 -7.251 -0.574 -4.014 32 HA LEU 6 HA LEU 6 -8.590 1.927 -3.130 33 1HB LEU 6 2HB LEU 6 -7.511 -0.404 -1.551 34 2HB LEU 6 3HB LEU 6 -8.056 1.129 -0.860 35 HG LEU 6 HG LEU 6 -10.210 0.562 -2.465 36 1HD1 LEU 6 1HD1 LEU 6 -9.277 -2.144 -1.427 37 2HD1 LEU 6 2HD1 LEU 6 -10.813 -1.786 -2.233 38 3HD1 LEU 6 3HD1 LEU 6 -9.293 -1.662 -3.131 39 1HD2 LEU 6 1HD2 LEU 6 -11.363 -0.175 -0.429 40 2HD2 LEU 6 2HD2 LEU 6 -9.806 -0.367 0.396 41 3HD2 LEU 6 3HD2 LEU 6 -10.338 1.239 -0.134 42 H GLU 7 H GLU 7 -7.507 3.569 -2.267 43 HA GLU 7 HA GLU 7 -4.610 3.811 -2.914 44 1HB GLU 7 2HB GLU 7 -6.946 5.693 -3.327 45 2HB GLU 7 3HB GLU 7 -5.260 6.189 -3.449 46 1HG GLU 7 2HG GLU 7 -4.899 4.683 -5.337 47 2HG GLU 7 3HG GLU 7 -6.517 3.992 -5.157 48 H LEU 8 H LEU 8 -3.652 3.875 -0.950 49 HA LEU 8 HA LEU 8 -4.920 5.508 1.215 50 1HB LEU 8 2HB LEU 8 -3.238 4.095 2.661 51 2HB LEU 8 3HB LEU 8 -4.866 3.539 2.363 52 HG LEU 8 HG LEU 8 -2.652 2.705 0.509 53 1HD1 LEU 8 1HD1 LEU 8 -3.388 1.489 3.195 54 2HD1 LEU 8 2HD1 LEU 8 -2.372 0.677 2.003 55 3HD1 LEU 8 3HD1 LEU 8 -1.814 2.194 2.716 56 1HD2 LEU 8 1HD2 LEU 8 -5.187 1.275 1.508 57 2HD2 LEU 8 2HD2 LEU 8 -5.094 2.088 -0.057 58 3HD2 LEU 8 3HD2 LEU 8 -4.102 0.669 0.257 59 H VAL 9 H VAL 9 -3.771 7.090 2.011 60 HA VAL 9 HA VAL 9 -1.346 7.996 0.615 61 HB VAL 9 HB VAL 9 -3.209 9.281 2.616 62 1HG1 VAL 9 1HG1 VAL 9 -1.802 11.321 2.390 63 2HG1 VAL 9 2HG1 VAL 9 -0.934 10.022 3.218 64 3HG1 VAL 9 3HG1 VAL 9 -0.582 10.377 1.512 65 1HG2 VAL 9 1HG2 VAL 9 -3.860 9.185 0.174 66 2HG2 VAL 9 2HG2 VAL 9 -3.597 10.839 0.760 67 3HG2 VAL 9 3HG2 VAL 9 -2.357 10.035 -0.221 68 H VAL 10 H VAL 10 0.513 7.239 1.334 69 HA VAL 10 HA VAL 10 0.777 5.949 3.987 70 HB VAL 10 HB VAL 10 2.907 5.113 2.853 71 1HG1 VAL 10 1HG1 VAL 10 1.674 3.224 1.840 72 2HG1 VAL 10 2HG1 VAL 10 0.973 3.705 3.393 73 3HG1 VAL 10 3HG1 VAL 10 0.175 4.178 1.877 74 1HG2 VAL 10 1HG2 VAL 10 2.928 4.873 0.466 75 2HG2 VAL 10 2HG2 VAL 10 1.365 5.674 0.285 76 3HG2 VAL 10 3HG2 VAL 10 2.788 6.603 0.785 77 H ARG 11 H ARG 11 1.197 7.712 5.375 78 HA ARG 11 HA ARG 11 3.086 9.790 4.416 79 1HB ARG 11 2HB ARG 11 2.196 9.589 7.291 80 2HB ARG 11 3HB ARG 11 2.855 10.930 6.405 81 1HG ARG 11 2HG ARG 11 0.653 11.493 6.651 82 2HG ARG 11 3HG ARG 11 0.733 10.950 4.971 83 1HD ARG 11 2HD ARG 11 -0.428 8.916 5.485 84 2HD ARG 11 3HD ARG 11 -0.091 9.037 7.206 85 HE ARG 11 HE ARG 11 -2.339 9.981 5.839 86 1HH1 ARG 11 2HH2 ARG 11 -0.342 10.432 8.764 87 2HH1 ARG 11 1HH2 ARG 11 -1.478 11.464 9.543 88 1HH2 ARG 11 2HH1 ARG 11 -3.838 11.371 6.863 89 2HH2 ARG 11 1HH1 ARG 11 -3.565 11.924 8.491 90 H GLY 12 H GLY 12 5.141 10.179 5.467 91 1HA GLY 12 2HA GLY 12 6.891 9.520 6.973 92 2HA GLY 12 1HA GLY 12 6.408 7.830 6.832 93 H MET 13 H MET 13 6.116 7.464 4.047 94 HA MET 13 HA MET 13 8.790 7.133 3.273 95 1HB MET 13 2HB MET 13 7.749 6.326 1.226 96 2HB MET 13 3HB MET 13 6.898 5.707 2.638 97 1HG MET 13 2HG MET 13 5.045 6.372 1.537 98 2HG MET 13 3HG MET 13 5.418 7.965 2.176 99 1HE MET 13 1HE MET 13 7.327 6.132 -0.832 100 2HE MET 13 2HE MET 13 5.664 5.559 -0.607 101 3HE MET 13 3HE MET 13 6.109 6.491 -2.077 102 H THR 14 H THR 14 10.108 8.282 1.859 103 HA THR 14 HA THR 14 9.057 10.684 0.495 104 HB THR 14 HB THR 14 9.398 11.388 2.833 105 HG1 THR 14 1HG THR 14 11.161 12.397 0.880 106 1HG2 THR 14 1HG2 THR 14 11.645 11.527 3.795 107 2HG2 THR 14 2HG2 THR 14 11.207 9.837 3.502 108 3HG2 THR 14 3HG2 THR 14 12.334 10.668 2.407 109 H CYS 15 H CYS 15 10.872 8.020 -0.036 110 HA CYS 15 HA CYS 15 12.363 9.317 -2.139 111 1HB CYS 15 2HB CYS 15 14.556 8.208 -1.176 112 2HB CYS 15 3HB CYS 15 14.075 9.832 -0.703 113 H ALA 16 H ALA 16 13.501 7.757 -3.434 114 HA ALA 16 HA ALA 16 11.987 5.676 -4.358 115 1HB ALA 16 1HB ALA 16 14.018 4.903 -5.514 116 2HB ALA 16 2HB ALA 16 13.871 6.669 -5.571 117 3HB ALA 16 3HB ALA 16 15.020 5.909 -4.447 118 H SER 17 H SER 17 14.534 5.498 -1.862 119 HA SER 17 HA SER 17 14.795 2.868 -1.252 120 1HB SER 17 2HB SER 17 14.318 5.120 0.734 121 2HB SER 17 3HB SER 17 15.286 3.652 0.970 122 HG SER 17 HG SER 17 16.653 4.410 -0.725 123 H CYS 18 H CYS 18 12.082 5.009 -0.189 124 HA CYS 18 HA CYS 18 10.792 2.881 1.305 125 1HB CYS 18 2HB CYS 18 9.772 5.593 0.422 126 2HB CYS 18 3HB CYS 18 9.046 4.514 1.626 127 H VAL 19 H VAL 19 10.571 4.295 -1.945 128 HA VAL 19 HA VAL 19 7.983 3.357 -2.641 129 HB VAL 19 HB VAL 19 10.423 3.787 -4.429 130 1HG1 VAL 19 1HG1 VAL 19 8.904 4.077 -6.274 131 2HG1 VAL 19 2HG1 VAL 19 8.649 2.473 -5.581 132 3HG1 VAL 19 3HG1 VAL 19 7.502 3.782 -5.245 133 1HG2 VAL 19 1HG2 VAL 19 9.883 5.785 -3.150 134 2HG2 VAL 19 2HG2 VAL 19 9.448 6.004 -4.849 135 3HG2 VAL 19 3HG2 VAL 19 8.179 5.673 -3.642 136 H HIS 20 H HIS 20 11.257 1.998 -3.352 137 HA HIS 20 HA HIS 20 10.078 -0.410 -4.331 138 1HB HIS 20 2HB HIS 20 12.343 -1.208 -4.527 139 2HB HIS 20 3HB HIS 20 12.013 0.341 -5.301 140 HD1 HIS 20 1HD HIS 20 14.327 1.392 -5.376 141 HD2 HIS 20 2HD HIS 20 13.337 -0.329 -1.677 142 HE1 HIS 20 1HE HIS 20 16.350 1.726 -3.857 143 H LYS 21 H LYS 21 11.348 0.456 -1.007 144 HA LYS 21 HA LYS 21 11.235 -2.023 0.149 145 1HB LYS 21 2HB LYS 21 11.910 0.242 1.101 146 2HB LYS 21 3HB LYS 21 10.185 0.609 1.288 147 1HG LYS 21 2HG LYS 21 10.122 -1.587 2.641 148 2HG LYS 21 3HG LYS 21 11.903 -1.478 2.560 149 1HD LYS 21 2HD LYS 21 11.734 0.851 3.554 150 2HD LYS 21 3HD LYS 21 9.979 0.635 3.663 151 1HE LYS 21 2HE LYS 21 10.383 -1.344 5.206 152 2HE LYS 21 3HE LYS 21 12.105 -0.919 5.189 153 1HZ LYS 21 1HZ LYS 21 11.115 0.048 7.079 154 2HZ LYS 21 2HZ LYS 21 11.369 1.307 6.051 155 3HZ LYS 21 3HZ LYS 21 9.858 0.673 6.272 156 H ILE 22 H ILE 22 8.558 0.354 -0.263 157 HA ILE 22 HA ILE 22 6.483 -1.186 0.886 158 HB ILE 22 HB ILE 22 6.543 1.017 -1.195 159 1HG1 ILE 22 2HG1 ILE 22 5.522 0.900 1.650 160 2HG1 ILE 22 3HG1 ILE 22 7.171 1.375 1.195 161 1HG2 ILE 22 1HG2 ILE 22 4.074 -0.281 0.036 162 2HG2 ILE 22 2HG2 ILE 22 4.068 1.244 -0.870 163 3HG2 ILE 22 3HG2 ILE 22 4.504 -0.244 -1.694 164 1HD1 ILE 22 1HD1 ILE 22 4.619 2.877 0.590 165 2HD1 ILE 22 2HD1 ILE 22 5.977 3.386 1.598 166 3HD1 ILE 22 3HD1 ILE 22 6.204 3.251 -0.156 167 H GLU 23 H GLU 23 7.215 -0.753 -2.634 168 HA GLU 23 HA GLU 23 5.241 -2.633 -3.349 169 1HB GLU 23 2HB GLU 23 7.666 -1.748 -4.971 170 2HB GLU 23 3HB GLU 23 6.253 -2.636 -5.580 171 1HG GLU 23 2HG GLU 23 4.783 -0.775 -4.656 172 2HG GLU 23 3HG GLU 23 6.254 0.142 -4.316 173 H SER 24 H SER 24 8.812 -3.190 -3.130 174 HA SER 24 HA SER 24 8.685 -5.910 -3.846 175 1HB SER 24 2HB SER 24 10.852 -6.184 -2.828 176 2HB SER 24 3HB SER 24 10.798 -4.645 -3.705 177 HG SER 24 HG SER 24 10.507 -3.598 -1.718 178 H SER 25 H SER 25 8.421 -4.421 -0.543 179 HA SER 25 HA SER 25 8.314 -7.018 0.667 180 1HB SER 25 2HB SER 25 9.049 -4.880 1.762 181 2HB SER 25 3HB SER 25 7.337 -4.475 1.960 182 HG SER 25 HG SER 25 8.242 -5.688 3.757 183 H LEU 26 H LEU 26 5.783 -4.826 -0.602 184 HA LEU 26 HA LEU 26 3.635 -6.433 0.519 185 1HB LEU 26 2HB LEU 26 3.724 -4.443 -1.753 186 2HB LEU 26 3HB LEU 26 2.247 -5.281 -1.265 187 HG LEU 26 HG LEU 26 3.903 -3.614 0.680 188 1HD1 LEU 26 1HD1 LEU 26 3.072 -2.245 -1.188 189 2HD1 LEU 26 2HD1 LEU 26 1.421 -2.844 -0.897 190 3HD1 LEU 26 3HD1 LEU 26 2.234 -1.847 0.327 191 1HD2 LEU 26 1HD2 LEU 26 1.051 -4.703 0.804 192 2HD2 LEU 26 2HD2 LEU 26 2.411 -5.199 1.835 193 3HD2 LEU 26 3HD2 LEU 26 1.760 -3.568 1.966 194 H THR 27 H THR 27 5.222 -6.377 -2.723 195 HA THR 27 HA THR 27 3.561 -8.409 -3.848 196 HB THR 27 HB THR 27 5.285 -8.431 -5.639 197 HG1 THR 27 1HG THR 27 7.008 -7.947 -4.118 198 1HG2 THR 27 1HG2 THR 27 4.385 -5.652 -4.747 199 2HG2 THR 27 2HG2 THR 27 4.973 -6.091 -6.358 200 3HG2 THR 27 3HG2 THR 27 3.462 -6.793 -5.745 201 H LYS 28 H LYS 28 3.656 -9.841 -2.083 202 HA LYS 28 HA LYS 28 5.057 -12.238 -2.508 203 1HB LYS 28 2HB LYS 28 6.320 -12.290 -0.294 204 2HB LYS 28 3HB LYS 28 7.076 -11.462 -1.652 205 1HG LYS 28 2HG LYS 28 6.544 -9.296 -0.766 206 2HG LYS 28 3HG LYS 28 5.545 -9.988 0.516 207 1HD LYS 28 2HD LYS 28 8.264 -11.125 0.493 208 2HD LYS 28 3HD LYS 28 8.343 -9.377 0.568 209 1HE LYS 28 2HE LYS 28 6.630 -11.064 2.447 210 2HE LYS 28 3HE LYS 28 8.297 -10.621 2.814 211 1HZ LYS 28 1HZ LYS 28 6.205 -8.630 2.258 212 2HZ LYS 28 2HZ LYS 28 6.600 -9.123 3.783 213 3HZ LYS 28 3HZ LYS 28 7.677 -8.303 2.838 214 H HIS 29 H HIS 29 3.249 -10.093 -0.188 215 HA HIS 29 HA HIS 29 2.228 -12.440 1.207 216 1HB HIS 29 2HB HIS 29 0.869 -11.062 2.448 217 2HB HIS 29 3HB HIS 29 2.358 -10.144 2.236 218 HD1 HIS 29 1HD HIS 29 -1.279 -10.256 0.855 219 HD2 HIS 29 2HD HIS 29 1.979 -7.678 1.548 220 HE1 HIS 29 1HE HIS 29 -2.118 -7.892 0.461 221 H ARG 30 H ARG 30 0.293 -13.522 0.817 222 HA ARG 30 HA ARG 30 -0.588 -13.570 -1.865 223 1HB ARG 30 2HB ARG 30 -0.759 -15.457 -0.183 224 2HB ARG 30 3HB ARG 30 -2.070 -14.566 0.591 225 1HG ARG 30 2HG ARG 30 -3.047 -16.242 -0.721 226 2HG ARG 30 3HG ARG 30 -3.397 -14.744 -1.565 227 1HD ARG 30 2HD ARG 30 -1.106 -16.650 -2.284 228 2HD ARG 30 3HD ARG 30 -2.721 -16.790 -2.935 229 HE ARG 30 HE ARG 30 -2.609 -14.722 -4.050 230 1HH1 ARG 30 2HH2 ARG 30 0.563 -15.975 -3.046 231 2HH1 ARG 30 1HH2 ARG 30 1.445 -15.077 -4.232 232 1HH2 ARG 30 2HH1 ARG 30 -1.423 -13.453 -5.559 233 2HH2 ARG 30 1HH1 ARG 30 0.295 -13.587 -5.650 234 H GLY 31 H GLY 31 -2.435 -12.715 -2.862 235 1HA GLY 31 2HA GLY 31 -4.491 -11.662 -2.956 236 2HA GLY 31 1HA GLY 31 -4.318 -11.055 -1.307 237 H ILE 32 H ILE 32 -1.482 -9.844 -1.997 238 HA ILE 32 HA ILE 32 -2.473 -7.574 -3.483 239 HB ILE 32 HB ILE 32 -0.531 -7.916 -1.642 240 1HG1 ILE 32 2HG1 ILE 32 -1.805 -5.883 -2.356 241 2HG1 ILE 32 3HG1 ILE 32 -0.145 -5.632 -1.828 242 1HG2 ILE 32 1HG2 ILE 32 1.118 -8.956 -2.999 243 2HG2 ILE 32 2HG2 ILE 32 1.011 -7.679 -4.235 244 3HG2 ILE 32 3HG2 ILE 32 1.602 -7.292 -2.620 245 1HD1 ILE 32 1HD1 ILE 32 -0.706 -4.312 -3.847 246 2HD1 ILE 32 2HD1 ILE 32 0.611 -5.455 -4.151 247 3HD1 ILE 32 3HD1 ILE 32 -1.046 -5.813 -4.714 248 H LEU 33 H LEU 33 -2.680 -7.449 -5.577 249 HA LEU 33 HA LEU 33 -1.314 -9.366 -7.361 250 1HB LEU 33 2HB LEU 33 -3.168 -7.073 -8.058 251 2HB LEU 33 3HB LEU 33 -2.681 -8.441 -9.076 252 HG LEU 33 HG LEU 33 -4.454 -8.479 -6.613 253 1HD1 LEU 33 1HD1 LEU 33 -5.025 -9.245 -9.508 254 2HD1 LEU 33 2HD1 LEU 33 -6.193 -9.175 -8.168 255 3HD1 LEU 33 3HD1 LEU 33 -5.435 -7.688 -8.766 256 1HD2 LEU 33 1HD2 LEU 33 -4.787 -10.916 -7.102 257 2HD2 LEU 33 2HD2 LEU 33 -3.458 -10.840 -8.278 258 3HD2 LEU 33 3HD2 LEU 33 -3.150 -10.560 -6.547 259 H TYR 34 H TYR 34 -1.468 -5.736 -6.814 260 HA TYR 34 HA TYR 34 1.367 -5.670 -7.106 261 1HB TYR 34 2HB TYR 34 0.792 -5.654 -9.525 262 2HB TYR 34 3HB TYR 34 -0.301 -4.300 -9.257 263 HD1 TYR 34 HD1 TYR 34 3.271 -5.111 -8.293 264 HD2 TYR 34 HD2 TYR 34 0.569 -2.315 -10.147 265 HE1 TYR 34 HE1 TYR 34 5.110 -3.442 -8.462 266 HE2 TYR 34 HE2 TYR 34 2.463 -0.727 -10.480 267 HH TYR 34 HH TYR 34 5.432 -0.988 -8.739 268 H CYS 35 H CYS 35 2.206 -3.731 -6.228 269 HA CYS 35 HA CYS 35 0.212 -1.748 -5.238 270 1HB CYS 35 2HB CYS 35 1.327 -2.698 -3.295 271 2HB CYS 35 3HB CYS 35 2.920 -2.485 -4.068 272 HG CYS 35 HG CYS 35 2.609 -0.621 -2.273 273 H SER 36 H SER 36 0.430 0.186 -6.180 274 HA SER 36 HA SER 36 3.000 0.901 -7.559 275 1HB SER 36 2HB SER 36 1.081 0.660 -9.119 276 2HB SER 36 3HB SER 36 0.167 1.843 -8.171 277 HG SER 36 HG SER 36 1.323 2.719 -10.018 278 H VAL 37 H VAL 37 4.014 1.974 -5.747 279 HA VAL 37 HA VAL 37 2.334 4.045 -4.450 280 HB VAL 37 HB VAL 37 3.515 2.291 -3.064 281 1HG1 VAL 37 1HG1 VAL 37 5.843 2.541 -2.609 282 2HG1 VAL 37 2HG1 VAL 37 5.701 2.406 -4.366 283 3HG1 VAL 37 3HG1 VAL 37 5.965 3.996 -3.610 284 1HG2 VAL 37 1HG2 VAL 37 4.100 5.236 -2.540 285 2HG2 VAL 37 2HG2 VAL 37 2.661 4.329 -2.055 286 3HG2 VAL 37 3HG2 VAL 37 4.218 3.917 -1.357 287 H ALA 38 H ALA 38 2.832 6.194 -4.513 288 HA ALA 38 HA ALA 38 5.340 6.989 -5.895 289 1HB ALA 38 1HB ALA 38 4.222 8.710 -7.150 290 2HB ALA 38 2HB ALA 38 3.634 7.102 -7.644 291 3HB ALA 38 3HB ALA 38 2.621 8.140 -6.605 292 H LEU 39 H LEU 39 6.330 8.577 -4.972 293 HA LEU 39 HA LEU 39 5.411 9.459 -2.374 294 1HB LEU 39 2HB LEU 39 7.587 10.371 -2.032 295 2HB LEU 39 3HB LEU 39 7.670 8.749 -2.703 296 HG LEU 39 HG LEU 39 7.946 10.050 -5.030 297 1HD1 LEU 39 1HD1 LEU 39 9.062 12.033 -2.981 298 2HD1 LEU 39 2HD1 LEU 39 9.300 12.101 -4.736 299 3HD1 LEU 39 3HD1 LEU 39 7.694 12.361 -4.056 300 1HD2 LEU 39 1HD2 LEU 39 10.131 9.766 -2.931 301 2HD2 LEU 39 2HD2 LEU 39 9.575 8.491 -4.036 302 3HD2 LEU 39 3HD2 LEU 39 10.397 9.921 -4.681 303 H ALA 40 H ALA 40 5.596 10.928 -5.553 304 HA ALA 40 HA ALA 40 5.412 13.630 -4.979 305 1HB ALA 40 1HB ALA 40 4.243 13.832 -7.141 306 2HB ALA 40 2HB ALA 40 5.596 12.688 -7.248 307 3HB ALA 40 3HB ALA 40 3.925 12.085 -7.147 308 H THR 41 H THR 41 2.896 11.197 -4.619 309 HA THR 41 HA THR 41 1.008 13.220 -3.454 310 HB THR 41 HB THR 41 0.239 12.541 -5.550 311 HG1 THR 41 1HG THR 41 -1.049 11.405 -3.350 312 1HG2 THR 41 1HG2 THR 41 0.905 9.716 -4.743 313 2HG2 THR 41 2HG2 THR 41 -0.298 10.053 -6.012 314 3HG2 THR 41 3HG2 THR 41 1.371 10.602 -6.202 315 H ASN 42 H ASN 42 3.184 11.317 -2.474 316 HA ASN 42 HA ASN 42 3.557 9.467 -1.111 317 1HB ASN 42 2HB ASN 42 1.804 11.228 0.631 318 2HB ASN 42 3HB ASN 42 2.912 9.985 1.220 319 1HD2 ASN 42 1HD2 ASN 42 5.291 10.369 1.107 320 2HD2 ASN 42 2HD2 ASN 42 5.836 11.992 0.814 321 H LYS 43 H LYS 43 1.731 8.465 -2.859 322 HA LYS 43 HA LYS 43 -0.482 7.297 -1.202 323 1HB LYS 43 2HB LYS 43 -1.217 8.970 -2.831 324 2HB LYS 43 3HB LYS 43 -0.361 8.075 -4.109 325 1HG LYS 43 2HG LYS 43 -1.877 6.086 -3.596 326 2HG LYS 43 3HG LYS 43 -2.823 7.166 -2.562 327 1HD LYS 43 2HD LYS 43 -2.075 7.668 -5.485 328 2HD LYS 43 3HD LYS 43 -3.565 6.851 -4.984 329 1HE LYS 43 2HE LYS 43 -4.077 8.976 -3.580 330 2HE LYS 43 3HE LYS 43 -2.766 9.757 -4.472 331 1HZ LYS 43 1HZ LYS 43 -5.119 8.481 -5.709 332 2HZ LYS 43 2HZ LYS 43 -4.960 10.101 -5.443 333 3HZ LYS 43 3HZ LYS 43 -3.961 9.322 -6.500 334 H ALA 44 H ALA 44 -0.742 5.185 -1.251 335 HA ALA 44 HA ALA 44 0.751 3.467 -3.193 336 1HB ALA 44 1HB ALA 44 -0.390 2.708 -0.484 337 2HB ALA 44 2HB ALA 44 0.556 1.700 -1.608 338 3HB ALA 44 3HB ALA 44 1.322 3.060 -0.780 339 H HIS 45 H HIS 45 -0.595 2.797 -4.861 340 HA HIS 45 HA HIS 45 -3.481 2.428 -4.397 341 1HB HIS 45 2HB HIS 45 -2.898 3.714 -6.341 342 2HB HIS 45 3HB HIS 45 -1.558 2.651 -6.737 343 HD1 HIS 45 1HD HIS 45 -3.373 3.305 -8.931 344 HD2 HIS 45 2HD HIS 45 -3.654 -0.152 -6.517 345 HE1 HIS 45 1HE HIS 45 -4.232 1.449 -10.382 346 H ILE 46 H ILE 46 -3.696 0.427 -3.458 347 HA ILE 46 HA ILE 46 -1.637 -1.690 -4.081 348 HB ILE 46 HB ILE 46 -3.232 -1.121 -1.593 349 1HG1 ILE 46 2HG1 ILE 46 -0.212 -1.354 -1.865 350 2HG1 ILE 46 3HG1 ILE 46 -0.985 0.160 -2.301 351 1HG2 ILE 46 1HG2 ILE 46 -1.141 -3.321 -1.884 352 2HG2 ILE 46 2HG2 ILE 46 -2.327 -3.079 -0.599 353 3HG2 ILE 46 3HG2 ILE 46 -2.842 -3.642 -2.196 354 1HD1 ILE 46 1HD1 ILE 46 -1.890 0.478 -0.159 355 2HD1 ILE 46 2HD1 ILE 46 -1.389 -1.139 0.398 356 3HD1 ILE 46 3HD1 ILE 46 -0.170 0.109 0.037 357 H LYS 47 H LYS 47 -2.454 -3.070 -5.586 358 HA LYS 47 HA LYS 47 -5.386 -3.366 -5.807 359 1HB LYS 47 2HB LYS 47 -3.083 -4.562 -7.408 360 2HB LYS 47 3HB LYS 47 -4.810 -4.723 -7.723 361 1HG LYS 47 2HG LYS 47 -4.865 -2.114 -7.760 362 2HG LYS 47 3HG LYS 47 -3.101 -2.180 -7.731 363 1HD LYS 47 2HD LYS 47 -3.495 -2.043 -9.983 364 2HD LYS 47 3HD LYS 47 -3.348 -3.796 -9.778 365 1HE LYS 47 2HE LYS 47 -6.028 -2.269 -9.816 366 2HE LYS 47 3HE LYS 47 -5.265 -2.921 -11.272 367 1HZ LYS 47 1HZ LYS 47 -5.392 -5.135 -10.231 368 2HZ LYS 47 2HZ LYS 47 -6.274 -4.556 -8.999 369 3HZ LYS 47 3HZ LYS 47 -6.878 -4.529 -10.449 370 H TYR 48 H TYR 48 -5.288 -4.088 -3.525 371 HA TYR 48 HA TYR 48 -4.422 -6.876 -3.274 372 1HB TYR 48 2HB TYR 48 -4.942 -6.714 -0.935 373 2HB TYR 48 3HB TYR 48 -3.934 -5.384 -1.395 374 HD1 TYR 48 HD1 TYR 48 -7.396 -6.386 -0.441 375 HD2 TYR 48 HD2 TYR 48 -4.803 -3.051 -1.282 376 HE1 TYR 48 HE1 TYR 48 -8.880 -4.899 0.853 377 HE2 TYR 48 HE2 TYR 48 -6.289 -1.564 -0.032 378 HH TYR 48 HH TYR 48 -8.149 -1.429 1.308 379 H ASP 49 H ASP 49 -5.818 -8.573 -3.013 380 HA ASP 49 HA ASP 49 -8.407 -8.203 -4.199 381 1HB ASP 49 2HB ASP 49 -6.966 -10.136 -4.654 382 2HB ASP 49 3HB ASP 49 -7.264 -10.732 -3.011 383 HA PRO 50 HA PRO 50 -10.143 -7.340 -0.112 384 1HB PRO 50 2HB PRO 50 -12.711 -6.764 -0.789 385 2HB PRO 50 3HB PRO 50 -11.342 -5.677 -1.166 386 1HG PRO 50 2HG PRO 50 -12.627 -7.720 -3.003 387 2HG PRO 50 3HG PRO 50 -12.284 -6.003 -3.357 388 1HD PRO 50 2HD PRO 50 -10.612 -8.001 -4.106 389 2HD PRO 50 3HD PRO 50 -9.967 -6.419 -3.554 390 H GLU 51 H GLU 51 -10.989 -10.067 -2.204 391 HA GLU 51 HA GLU 51 -13.011 -11.071 -0.302 392 1HB GLU 51 2HB GLU 51 -11.987 -12.094 -2.973 393 2HB GLU 51 3HB GLU 51 -13.225 -12.886 -1.989 394 1HG GLU 51 2HG GLU 51 -14.689 -10.940 -2.120 395 2HG GLU 51 3HG GLU 51 -13.439 -9.990 -2.932 396 H ILE 52 H ILE 52 -9.613 -11.076 -0.504 397 HA ILE 52 HA ILE 52 -9.578 -13.321 1.461 398 HB ILE 52 HB ILE 52 -7.360 -13.998 0.477 399 1HG1 ILE 52 2HG1 ILE 52 -8.403 -12.647 -2.043 400 2HG1 ILE 52 3HG1 ILE 52 -7.154 -11.945 -0.998 401 1HG2 ILE 52 1HG2 ILE 52 -9.803 -14.498 -1.277 402 2HG2 ILE 52 2HG2 ILE 52 -8.409 -15.570 -1.056 403 3HG2 ILE 52 3HG2 ILE 52 -9.511 -15.285 0.286 404 1HD1 ILE 52 1HD1 ILE 52 -6.911 -14.638 -2.405 405 2HD1 ILE 52 2HD1 ILE 52 -6.187 -13.120 -2.930 406 3HD1 ILE 52 3HD1 ILE 52 -5.680 -13.848 -1.388 407 H ILE 53 H ILE 53 -8.192 -10.171 0.558 408 HA ILE 53 HA ILE 53 -6.869 -10.130 3.249 409 HB ILE 53 HB ILE 53 -5.151 -10.607 1.572 410 1HG1 ILE 53 2HG1 ILE 53 -3.865 -8.316 1.727 411 2HG1 ILE 53 3HG1 ILE 53 -5.165 -7.835 2.800 412 1HG2 ILE 53 1HG2 ILE 53 -6.189 -8.207 0.068 413 2HG2 ILE 53 2HG2 ILE 53 -4.637 -8.999 -0.249 414 3HG2 ILE 53 3HG2 ILE 53 -6.138 -9.889 -0.477 415 1HD1 ILE 53 1HD1 ILE 53 -3.202 -8.812 3.971 416 2HD1 ILE 53 2HD1 ILE 53 -4.651 -9.820 4.231 417 3HD1 ILE 53 3HD1 ILE 53 -3.396 -10.322 3.072 418 H GLY 54 H GLY 54 -7.334 -8.231 4.436 419 1HA GLY 54 2HA GLY 54 -9.364 -6.527 3.110 420 2HA GLY 54 1HA GLY 54 -9.137 -6.857 4.831 421 HA PRO 55 HA PRO 55 -7.112 -2.735 3.642 422 1HB PRO 55 2HB PRO 55 -8.780 -1.224 5.321 423 2HB PRO 55 3HB PRO 55 -9.021 -1.420 3.569 424 1HG PRO 55 2HG PRO 55 -10.332 -2.949 5.816 425 2HG PRO 55 3HG PRO 55 -11.090 -2.291 4.337 426 1HD PRO 55 2HD PRO 55 -10.444 -4.902 4.519 427 2HD PRO 55 3HD PRO 55 -10.150 -4.025 2.990 428 H ARG 56 H ARG 56 -8.502 -4.146 6.639 429 HA ARG 56 HA ARG 56 -6.737 -2.882 8.474 430 1HB ARG 56 2HB ARG 56 -8.111 -5.600 8.617 431 2HB ARG 56 3HB ARG 56 -7.234 -4.820 9.947 432 1HG ARG 56 2HG ARG 56 -8.745 -2.834 9.762 433 2HG ARG 56 3HG ARG 56 -9.703 -3.702 8.542 434 1HD ARG 56 2HD ARG 56 -10.163 -5.499 10.179 435 2HD ARG 56 3HD ARG 56 -9.159 -4.649 11.385 436 HE ARG 56 HE ARG 56 -11.165 -2.873 10.428 437 1HH1 ARG 56 2HH2 ARG 56 -10.835 -5.750 12.421 438 2HH1 ARG 56 1HH2 ARG 56 -12.190 -5.413 13.453 439 1HH2 ARG 56 2HH1 ARG 56 -12.988 -2.367 11.769 440 2HH2 ARG 56 1HH1 ARG 56 -13.451 -3.428 13.057 441 H ASP 57 H ASP 57 -6.413 -6.121 6.773 442 HA ASP 57 HA ASP 57 -3.978 -6.799 7.946 443 1HB ASP 57 2HB ASP 57 -4.776 -7.394 5.080 444 2HB ASP 57 3HB ASP 57 -3.783 -8.379 6.177 445 H ILE 58 H ILE 58 -4.650 -5.090 4.867 446 HA ILE 58 HA ILE 58 -1.978 -4.541 4.117 447 HB ILE 58 HB ILE 58 -4.635 -3.151 3.619 448 1HG1 ILE 58 2HG1 ILE 58 -4.358 -5.367 2.600 449 2HG1 ILE 58 3HG1 ILE 58 -4.415 -4.084 1.402 450 1HG2 ILE 58 1HG2 ILE 58 -1.936 -2.294 2.541 451 2HG2 ILE 58 2HG2 ILE 58 -3.481 -1.914 1.744 452 3HG2 ILE 58 3HG2 ILE 58 -3.160 -1.325 3.375 453 1HD1 ILE 58 1HD1 ILE 58 -2.017 -5.702 2.304 454 2HD1 ILE 58 2HD1 ILE 58 -2.699 -5.535 0.682 455 3HD1 ILE 58 3HD1 ILE 58 -1.816 -4.182 1.415 456 H ILE 59 H ILE 59 -4.170 -2.512 6.082 457 HA ILE 59 HA ILE 59 -2.371 -0.399 6.482 458 HB ILE 59 HB ILE 59 -4.745 -1.466 7.965 459 1HG1 ILE 59 2HG1 ILE 59 -4.257 1.306 6.846 460 2HG1 ILE 59 3HG1 ILE 59 -4.758 -0.042 5.817 461 1HG2 ILE 59 1HG2 ILE 59 -3.008 0.809 9.006 462 2HG2 ILE 59 2HG2 ILE 59 -4.646 0.447 9.566 463 3HG2 ILE 59 3HG2 ILE 59 -3.364 -0.715 9.831 464 1HD1 ILE 59 1HD1 ILE 59 -6.303 1.012 8.216 465 2HD1 ILE 59 2HD1 ILE 59 -6.713 1.184 6.503 466 3HD1 ILE 59 3HD1 ILE 59 -6.736 -0.424 7.261 467 H HIS 60 H HIS 60 -2.900 -3.328 8.539 468 HA HIS 60 HA HIS 60 -0.871 -2.509 10.401 469 1HB HIS 60 2HB HIS 60 -2.135 -5.224 9.940 470 2HB HIS 60 3HB HIS 60 -1.128 -4.778 11.330 471 HD1 HIS 60 1HD HIS 60 -2.358 -1.883 11.937 472 HD2 HIS 60 2HD HIS 60 -4.556 -5.364 10.988 473 HE1 HIS 60 1HE HIS 60 -4.736 -1.514 12.780 474 H THR 61 H THR 61 -0.804 -4.474 7.506 475 HA THR 61 HA THR 61 1.889 -5.428 7.716 476 HB THR 61 HB THR 61 0.170 -4.715 5.314 477 HG1 THR 61 1HG THR 61 -0.639 -6.374 6.529 478 1HG2 THR 61 1HG2 THR 61 2.539 -4.764 4.586 479 2HG2 THR 61 2HG2 THR 61 2.779 -6.302 5.452 480 3HG2 THR 61 3HG2 THR 61 1.698 -6.227 4.045 481 H ILE 62 H ILE 62 0.575 -2.394 6.199 482 HA ILE 62 HA ILE 62 3.240 -1.487 5.566 483 HB ILE 62 HB ILE 62 0.551 -0.139 5.443 484 1HG1 ILE 62 2HG1 ILE 62 2.432 -1.194 3.280 485 2HG1 ILE 62 3HG1 ILE 62 1.075 -2.112 3.940 486 1HG2 ILE 62 1HG2 ILE 62 3.284 0.842 4.491 487 2HG2 ILE 62 2HG2 ILE 62 1.742 1.597 4.060 488 3HG2 ILE 62 3HG2 ILE 62 2.270 1.607 5.736 489 1HD1 ILE 62 1HD1 ILE 62 -0.477 -0.287 3.239 490 2HD1 ILE 62 2HD1 ILE 62 0.881 0.468 2.363 491 3HD1 ILE 62 3HD1 ILE 62 0.344 -1.165 1.931 492 H GLU 63 H GLU 63 1.054 -0.802 8.317 493 HA GLU 63 HA GLU 63 2.660 1.080 9.697 494 1HB GLU 63 2HB GLU 63 0.961 -1.231 10.703 495 2HB GLU 63 3HB GLU 63 1.704 -0.032 11.760 496 1HG GLU 63 2HG GLU 63 0.471 1.782 10.760 497 2HG GLU 63 3HG GLU 63 -0.194 0.742 9.506 498 H SER 64 H SER 64 2.846 -2.532 9.626 499 HA SER 64 HA SER 64 5.247 -2.643 11.151 500 1HB SER 64 2HB SER 64 3.678 -4.558 10.773 501 2HB SER 64 3HB SER 64 4.318 -4.703 9.125 502 HG SER 64 HG SER 64 6.459 -4.739 10.277 503 H LEU 65 H LEU 65 4.892 -1.536 7.872 504 HA LEU 65 HA LEU 65 7.767 -2.021 7.273 505 1HB LEU 65 2HB LEU 65 5.682 -0.555 5.630 506 2HB LEU 65 3HB LEU 65 7.331 -0.946 5.150 507 HG LEU 65 HG LEU 65 5.089 -2.938 5.645 508 1HD1 LEU 65 1HD1 LEU 65 5.258 -3.345 3.240 509 2HD1 LEU 65 2HD1 LEU 65 4.939 -1.628 3.540 510 3HD1 LEU 65 3HD1 LEU 65 6.578 -2.162 3.110 511 1HD2 LEU 65 1HD2 LEU 65 7.975 -3.457 4.827 512 2HD2 LEU 65 2HD2 LEU 65 7.190 -3.985 6.337 513 3HD2 LEU 65 3HD2 LEU 65 6.648 -4.645 4.795 514 H GLY 66 H GLY 66 5.854 0.219 8.997 515 1HA GLY 66 2HA GLY 66 6.652 1.960 10.232 516 2HA GLY 66 1HA GLY 66 8.174 1.961 9.334 517 H PHE 67 H PHE 67 4.780 2.233 8.126 518 HA PHE 67 HA PHE 67 5.170 5.114 7.553 519 1HB PHE 67 2HB PHE 67 4.001 3.158 5.547 520 2HB PHE 67 3HB PHE 67 4.271 4.878 5.312 521 HD1 PHE 67 1HD PHE 67 6.896 5.564 5.839 522 HD2 PHE 67 2HD PHE 67 5.519 1.718 4.470 523 HE1 PHE 67 1HE PHE 67 9.115 5.131 4.823 524 HE2 PHE 67 2HE PHE 67 7.727 1.284 3.465 525 HZ PHE 67 HZ PHE 67 9.528 3.025 3.595 526 H GLU 68 H GLU 68 2.978 6.115 7.102 527 HA GLU 68 HA GLU 68 0.907 4.924 8.884 528 1HB GLU 68 2HB GLU 68 1.430 7.637 7.722 529 2HB GLU 68 3HB GLU 68 0.025 7.231 8.726 530 1HG GLU 68 2HG GLU 68 1.541 6.819 10.632 531 2HG GLU 68 3HG GLU 68 2.941 7.194 9.606 532 HA PRO 69 HA PRO 69 -0.958 4.422 4.634 533 1HB PRO 69 2HB PRO 69 -2.269 2.057 5.011 534 2HB PRO 69 3HB PRO 69 -0.498 2.149 4.791 535 1HG PRO 69 2HG PRO 69 -2.068 1.979 7.363 536 2HG PRO 69 3HG PRO 69 -0.678 0.975 6.861 537 1HD PRO 69 2HD PRO 69 -0.389 3.129 8.495 538 2HD PRO 69 3HD PRO 69 0.828 2.694 7.257 539 H SER 70 H SER 70 -2.179 6.400 5.264 540 HA SER 70 HA SER 70 -4.778 5.971 6.608 541 1HB SER 70 2HB SER 70 -5.095 8.373 6.301 542 2HB SER 70 3HB SER 70 -3.585 7.954 7.126 543 HG SER 70 HG SER 70 -2.838 8.083 4.678 544 H LEU 71 H LEU 71 -6.573 5.261 5.549 545 HA LEU 71 HA LEU 71 -6.746 5.062 2.672 546 1HB LEU 71 2HB LEU 71 -8.718 4.674 4.940 547 2HB LEU 71 3HB LEU 71 -9.179 4.447 3.252 548 HG LEU 71 HG LEU 71 -6.836 2.922 4.428 549 1HD1 LEU 71 1HD1 LEU 71 -9.789 2.142 4.369 550 2HD1 LEU 71 2HD1 LEU 71 -8.442 1.063 4.786 551 3HD1 LEU 71 3HD1 LEU 71 -8.815 2.452 5.822 552 1HD2 LEU 71 1HD2 LEU 71 -7.093 2.968 1.915 553 2HD2 LEU 71 2HD2 LEU 71 -7.381 1.356 2.591 554 3HD2 LEU 71 3HD2 LEU 71 -8.749 2.369 2.098 555 H VAL 72 H VAL 72 -6.202 7.436 2.372 556 HA VAL 72 HA VAL 72 -8.428 9.297 2.764 557 HB VAL 72 HB VAL 72 -5.759 9.657 1.383 558 1HG1 VAL 72 1HG1 VAL 72 -7.833 11.709 2.280 559 2HG1 VAL 72 2HG1 VAL 72 -6.184 12.094 1.745 560 3HG1 VAL 72 3HG1 VAL 72 -7.331 11.388 0.609 561 1HG2 VAL 72 1HG2 VAL 72 -6.710 10.431 4.182 562 2HG2 VAL 72 2HG2 VAL 72 -5.544 9.151 3.811 563 3HG2 VAL 72 3HG2 VAL 72 -5.131 10.833 3.479 564 H LYS 73 H LYS 73 -7.199 7.374 -0.025 565 HA LYS 73 HA LYS 73 -7.764 7.411 -2.205 566 1HB LYS 73 2HB LYS 73 -10.358 7.763 -0.807 567 2HB LYS 73 3HB LYS 73 -10.432 8.303 -2.460 568 1HG LYS 73 2HG LYS 73 -9.258 5.620 -1.691 569 2HG LYS 73 3HG LYS 73 -10.994 5.868 -1.921 570 1HD LYS 73 2HD LYS 73 -10.725 6.544 -4.228 571 2HD LYS 73 3HD LYS 73 -8.962 6.544 -4.095 572 1HE LYS 73 2HE LYS 73 -9.007 4.113 -3.573 573 2HE LYS 73 3HE LYS 73 -10.765 4.078 -3.783 574 1HZ LYS 73 1HZ LYS 73 -9.417 3.315 -5.686 575 2HZ LYS 73 2HZ LYS 73 -10.426 4.571 -6.096 576 3HZ LYS 73 3HZ LYS 73 -8.825 4.833 -5.879 577 H ILE 74 H ILE 74 -9.369 9.344 -3.761 578 HA ILE 74 HA ILE 74 -8.623 11.958 -2.965 579 HB ILE 74 HB ILE 74 -6.498 11.146 -4.087 580 1HG1 ILE 74 2HG1 ILE 74 -7.802 13.350 -5.713 581 2HG1 ILE 74 3HG1 ILE 74 -7.332 13.563 -4.018 582 1HG2 ILE 74 1HG2 ILE 74 -7.536 9.653 -5.787 583 2HG2 ILE 74 2HG2 ILE 74 -8.235 11.063 -6.607 584 3HG2 ILE 74 3HG2 ILE 74 -6.492 10.857 -6.558 585 1HD1 ILE 74 1HD1 ILE 74 -5.576 14.397 -5.447 586 2HD1 ILE 74 2HD1 ILE 74 -4.992 12.965 -4.580 587 3HD1 ILE 74 3HD1 ILE 74 -5.446 12.852 -6.299 588 H GLU 75 H GLU 75 -9.735 13.524 -4.535 589 HA GLU 75 HA GLU 75 -11.492 12.458 -6.524 590 1HB GLU 75 2HB GLU 75 -12.554 14.121 -4.176 591 2HB GLU 75 3HB GLU 75 -13.424 13.739 -5.667 592 1HG GLU 75 2HG GLU 75 -13.250 11.291 -5.084 593 2HG GLU 75 3HG GLU 75 -12.543 11.752 -3.525 Start of MODEL 7 1 1H MET 1 H1 MET 1 -9.891 -3.904 -13.405 2 2H MET 1 H2 MET 1 -10.548 -2.389 -13.523 3 3H MET 1 H3 MET 1 -10.763 -3.384 -12.218 4 HA MET 1 HA MET 1 -12.751 -3.311 -13.685 5 1HB MET 1 2HB MET 1 -11.472 -2.859 -15.747 6 2HB MET 1 3HB MET 1 -10.820 -4.506 -15.718 7 1HG MET 1 2HG MET 1 -13.100 -5.421 -15.988 8 2HG MET 1 3HG MET 1 -13.774 -3.783 -15.931 9 1HE MET 1 1HE MET 1 -14.383 -4.905 -19.627 10 2HE MET 1 2HE MET 1 -14.438 -5.934 -18.177 11 3HE MET 1 3HE MET 1 -15.131 -4.293 -18.132 12 H GLY 2 H GLY 2 -10.218 -5.904 -13.479 13 1HA GLY 2 2HA GLY 2 -12.353 -7.893 -12.744 14 2HA GLY 2 1HA GLY 2 -10.957 -8.285 -13.768 15 H ASP 3 H ASP 3 -11.578 -6.384 -10.804 16 HA ASP 3 HA ASP 3 -9.493 -7.321 -9.101 17 1HB ASP 3 2HB ASP 3 -7.941 -5.376 -9.664 18 2HB ASP 3 3HB ASP 3 -7.994 -6.611 -10.923 19 H GLY 4 H GLY 4 -9.007 -5.341 -7.594 20 1HA GLY 4 2HA GLY 4 -10.878 -3.107 -7.749 21 2HA GLY 4 1HA GLY 4 -10.914 -4.059 -6.238 22 H VAL 5 H VAL 5 -9.892 -1.271 -6.560 23 HA VAL 5 HA VAL 5 -7.180 -1.745 -5.542 24 HB VAL 5 HB VAL 5 -6.790 -1.187 -7.843 25 1HG1 VAL 5 1HG1 VAL 5 -8.885 -0.061 -8.460 26 2HG1 VAL 5 2HG1 VAL 5 -8.436 1.343 -7.462 27 3HG1 VAL 5 3HG1 VAL 5 -7.467 0.912 -8.884 28 1HG2 VAL 5 1HG2 VAL 5 -6.257 1.301 -6.158 29 2HG2 VAL 5 2HG2 VAL 5 -5.261 -0.166 -6.162 30 3HG2 VAL 5 3HG2 VAL 5 -5.403 0.809 -7.628 31 H LEU 6 H LEU 6 -6.646 -0.638 -3.812 32 HA LEU 6 HA LEU 6 -8.487 1.493 -2.822 33 1HB LEU 6 2HB LEU 6 -8.482 -0.495 -1.365 34 2HB LEU 6 3HB LEU 6 -6.711 -0.535 -1.404 35 HG LEU 6 HG LEU 6 -6.626 1.627 -0.218 36 1HD1 LEU 6 1HD1 LEU 6 -8.849 2.583 -0.836 37 2HD1 LEU 6 2HD1 LEU 6 -9.653 1.276 0.054 38 3HD1 LEU 6 3HD1 LEU 6 -8.673 2.481 0.916 39 1HD2 LEU 6 1HD2 LEU 6 -8.239 -0.524 1.200 40 2HD2 LEU 6 2HD2 LEU 6 -6.471 -0.490 1.009 41 3HD2 LEU 6 3HD2 LEU 6 -7.277 0.756 1.976 42 H GLU 7 H GLU 7 -7.308 3.373 -2.006 43 HA GLU 7 HA GLU 7 -4.412 3.421 -2.608 44 1HB GLU 7 2HB GLU 7 -6.282 5.788 -2.957 45 2HB GLU 7 3HB GLU 7 -4.536 5.735 -3.213 46 1HG GLU 7 2HG GLU 7 -4.850 4.135 -5.076 47 2HG GLU 7 3HG GLU 7 -6.607 4.235 -4.869 48 H LEU 8 H LEU 8 -3.167 4.644 -1.166 49 HA LEU 8 HA LEU 8 -4.478 5.824 1.159 50 1HB LEU 8 2HB LEU 8 -2.897 4.455 2.703 51 2HB LEU 8 3HB LEU 8 -4.415 3.732 2.233 52 HG LEU 8 HG LEU 8 -2.028 3.150 0.507 53 1HD1 LEU 8 1HD1 LEU 8 -2.588 1.752 3.141 54 2HD1 LEU 8 2HD1 LEU 8 -1.341 1.337 1.941 55 3HD1 LEU 8 3HD1 LEU 8 -1.227 2.860 2.832 56 1HD2 LEU 8 1HD2 LEU 8 -3.197 0.834 0.590 57 2HD2 LEU 8 2HD2 LEU 8 -4.524 1.620 1.434 58 3HD2 LEU 8 3HD2 LEU 8 -4.115 2.089 -0.229 59 H VAL 9 H VAL 9 -3.354 7.447 1.964 60 HA VAL 9 HA VAL 9 -0.969 8.367 0.515 61 HB VAL 9 HB VAL 9 -2.582 9.663 2.739 62 1HG1 VAL 9 1HG1 VAL 9 -0.457 10.798 0.861 63 2HG1 VAL 9 2HG1 VAL 9 -1.385 11.713 2.066 64 3HG1 VAL 9 3HG1 VAL 9 -0.228 10.482 2.592 65 1HG2 VAL 9 1HG2 VAL 9 -3.934 9.405 0.688 66 2HG2 VAL 9 2HG2 VAL 9 -3.469 11.095 0.921 67 3HG2 VAL 9 3HG2 VAL 9 -2.615 10.102 -0.279 68 H VAL 10 H VAL 10 0.899 7.469 1.201 69 HA VAL 10 HA VAL 10 1.112 6.187 3.866 70 HB VAL 10 HB VAL 10 3.065 5.074 2.684 71 1HG1 VAL 10 1HG1 VAL 10 0.200 4.533 1.768 72 2HG1 VAL 10 2HG1 VAL 10 1.551 3.390 1.652 73 3HG1 VAL 10 3HG1 VAL 10 0.961 3.914 3.243 74 1HG2 VAL 10 1HG2 VAL 10 3.067 4.898 0.329 75 2HG2 VAL 10 2HG2 VAL 10 1.508 5.710 0.167 76 3HG2 VAL 10 3HG2 VAL 10 2.937 6.645 0.619 77 H ARG 11 H ARG 11 1.572 8.129 5.035 78 HA ARG 11 HA ARG 11 3.479 10.007 3.882 79 1HB ARG 11 2HB ARG 11 2.445 9.978 6.731 80 2HB ARG 11 3HB ARG 11 3.302 11.267 5.902 81 1HG ARG 11 2HG ARG 11 1.442 11.519 4.289 82 2HG ARG 11 3HG ARG 11 0.563 10.194 5.075 83 1HD ARG 11 2HD ARG 11 -0.258 12.414 5.802 84 2HD ARG 11 3HD ARG 11 0.340 11.429 7.127 85 HE ARG 11 HE ARG 11 1.745 13.745 5.809 86 1HH1 ARG 11 2HH2 ARG 11 1.259 11.827 8.797 87 2HH1 ARG 11 1HH2 ARG 11 2.747 12.155 9.417 88 1HH2 ARG 11 2HH1 ARG 11 3.567 14.652 6.933 89 2HH2 ARG 11 1HH1 ARG 11 3.849 14.194 8.588 90 H GLY 12 H GLY 12 5.622 10.055 4.103 91 1HA GLY 12 2HA GLY 12 7.351 10.203 5.924 92 2HA GLY 12 1HA GLY 12 7.013 8.507 6.266 93 H MET 13 H MET 13 6.706 8.833 2.878 94 HA MET 13 HA MET 13 9.176 7.376 2.519 95 1HB MET 13 2HB MET 13 7.257 8.525 0.472 96 2HB MET 13 3HB MET 13 8.502 7.294 0.221 97 1HG MET 13 2HG MET 13 7.249 5.673 1.446 98 2HG MET 13 3HG MET 13 6.161 6.876 2.143 99 1HE MET 13 1HE MET 13 6.144 5.981 -2.365 100 2HE MET 13 2HE MET 13 7.284 7.078 -1.578 101 3HE MET 13 3HE MET 13 7.352 5.342 -1.212 102 H THR 14 H THR 14 11.092 8.447 2.440 103 HA THR 14 HA THR 14 11.237 11.169 1.284 104 HB THR 14 HB THR 14 12.190 10.807 3.497 105 HG1 THR 14 1HG THR 14 13.776 11.548 1.301 106 1HG2 THR 14 1HG2 THR 14 14.221 8.993 2.110 107 2HG2 THR 14 2HG2 THR 14 14.325 9.618 3.762 108 3HG2 THR 14 3HG2 THR 14 13.031 8.495 3.334 109 H CYS 15 H CYS 15 12.036 7.841 0.267 110 HA CYS 15 HA CYS 15 13.189 8.909 -2.190 111 1HB CYS 15 2HB CYS 15 15.422 8.063 -1.875 112 2HB CYS 15 3HB CYS 15 15.053 9.112 -0.522 113 H ALA 16 H ALA 16 14.215 7.038 -3.456 114 HA ALA 16 HA ALA 16 12.335 5.088 -4.107 115 1HB ALA 16 1HB ALA 16 15.353 5.022 -4.505 116 2HB ALA 16 2HB ALA 16 14.164 4.028 -5.372 117 3HB ALA 16 3HB ALA 16 14.165 5.789 -5.584 118 H SER 17 H SER 17 14.974 4.960 -1.710 119 HA SER 17 HA SER 17 14.867 2.159 -1.226 120 1HB SER 17 2HB SER 17 16.655 3.693 -0.327 121 2HB SER 17 3HB SER 17 15.486 4.234 0.896 122 HG SER 17 HG SER 17 16.853 2.495 1.573 123 H CYS 18 H CYS 18 12.731 4.865 -0.124 124 HA CYS 18 HA CYS 18 11.351 3.165 1.806 125 1HB CYS 18 2HB CYS 18 10.507 5.776 0.494 126 2HB CYS 18 3HB CYS 18 9.717 4.970 1.837 127 H VAL 19 H VAL 19 10.746 4.389 -1.483 128 HA VAL 19 HA VAL 19 8.221 3.432 -2.042 129 HB VAL 19 HB VAL 19 10.680 3.567 -3.833 130 1HG1 VAL 19 1HG1 VAL 19 9.216 2.056 -4.982 131 2HG1 VAL 19 2HG1 VAL 19 7.815 3.086 -4.655 132 3HG1 VAL 19 3HG1 VAL 19 9.088 3.638 -5.754 133 1HG2 VAL 19 1HG2 VAL 19 9.888 5.723 -2.841 134 2HG2 VAL 19 2HG2 VAL 19 9.737 5.664 -4.605 135 3HG2 VAL 19 3HG2 VAL 19 8.300 5.436 -3.588 136 H HIS 20 H HIS 20 11.276 1.654 -2.680 137 HA HIS 20 HA HIS 20 9.848 -0.568 -3.623 138 1HB HIS 20 2HB HIS 20 11.893 -1.614 -3.941 139 2HB HIS 20 3HB HIS 20 12.014 0.097 -4.351 140 HD1 HIS 20 1HD HIS 20 14.703 -0.453 -4.261 141 HD2 HIS 20 2HD HIS 20 12.601 -0.582 -0.634 142 HE1 HIS 20 1HE HIS 20 16.442 -0.501 -2.393 143 H LYS 21 H LYS 21 10.376 0.301 -0.294 144 HA LYS 21 HA LYS 21 10.306 -2.461 0.708 145 1HB LYS 21 2HB LYS 21 9.474 0.052 2.203 146 2HB LYS 21 3HB LYS 21 9.836 -1.534 2.880 147 1HG LYS 21 2HG LYS 21 11.718 0.389 1.584 148 2HG LYS 21 3HG LYS 21 11.594 0.090 3.309 149 1HD LYS 21 2HD LYS 21 12.344 -2.263 2.963 150 2HD LYS 21 3HD LYS 21 12.605 -1.947 1.247 151 1HE LYS 21 2HE LYS 21 13.974 -0.483 3.562 152 2HE LYS 21 3HE LYS 21 14.703 -1.807 2.643 153 1HZ LYS 21 1HZ LYS 21 14.689 -0.424 0.669 154 2HZ LYS 21 2HZ LYS 21 13.853 0.736 1.412 155 3HZ LYS 21 3HZ LYS 21 15.387 0.472 1.850 156 H ILE 22 H ILE 22 8.046 0.265 0.137 157 HA ILE 22 HA ILE 22 5.803 -1.177 1.212 158 HB ILE 22 HB ILE 22 5.616 1.134 -0.729 159 1HG1 ILE 22 2HG1 ILE 22 6.378 1.138 2.170 160 2HG1 ILE 22 3HG1 ILE 22 7.090 1.984 0.771 161 1HG2 ILE 22 1HG2 ILE 22 3.529 -0.129 -0.215 162 2HG2 ILE 22 2HG2 ILE 22 3.823 0.112 1.518 163 3HG2 ILE 22 3HG2 ILE 22 3.451 1.489 0.469 164 1HD1 ILE 22 1HD1 ILE 22 4.469 2.691 2.133 165 2HD1 ILE 22 2HD1 ILE 22 5.993 3.588 2.176 166 3HD1 ILE 22 3HD1 ILE 22 5.110 3.453 0.652 167 H GLU 23 H GLU 23 6.832 -0.492 -2.201 168 HA GLU 23 HA GLU 23 4.893 -2.123 -3.450 169 1HB GLU 23 2HB GLU 23 7.594 -1.070 -4.183 170 2HB GLU 23 3HB GLU 23 6.992 -2.417 -5.153 171 1HG GLU 23 2HG GLU 23 5.110 -1.284 -5.896 172 2HG GLU 23 3HG GLU 23 5.138 -0.103 -4.591 173 H SER 24 H SER 24 8.227 -3.188 -2.515 174 HA SER 24 HA SER 24 7.881 -5.872 -3.232 175 1HB SER 24 2HB SER 24 10.034 -4.815 -2.701 176 2HB SER 24 3HB SER 24 9.593 -4.757 -0.978 177 HG SER 24 HG SER 24 10.879 -6.604 -1.607 178 H SER 25 H SER 25 7.354 -4.356 -0.015 179 HA SER 25 HA SER 25 6.691 -6.796 1.300 180 1HB SER 25 2HB SER 25 7.525 -4.644 2.364 181 2HB SER 25 3HB SER 25 5.886 -4.004 2.145 182 HG SER 25 HG SER 25 6.831 -6.043 3.836 183 H LEU 26 H LEU 26 4.708 -4.440 -0.511 184 HA LEU 26 HA LEU 26 2.195 -5.675 0.345 185 1HB LEU 26 2HB LEU 26 3.027 -3.719 -1.778 186 2HB LEU 26 3HB LEU 26 1.505 -4.571 -1.966 187 HG LEU 26 HG LEU 26 1.391 -2.338 -0.831 188 1HD1 LEU 26 1HD1 LEU 26 -0.343 -3.019 0.727 189 2HD1 LEU 26 2HD1 LEU 26 -0.441 -3.937 -0.774 190 3HD1 LEU 26 3HD1 LEU 26 0.221 -4.692 0.700 191 1HD2 LEU 26 1HD2 LEU 26 3.237 -2.442 0.818 192 2HD2 LEU 26 2HD2 LEU 26 1.695 -2.250 1.629 193 3HD2 LEU 26 3HD2 LEU 26 2.475 -3.826 1.621 194 H THR 27 H THR 27 4.377 -6.112 -2.524 195 HA THR 27 HA THR 27 2.739 -8.246 -3.551 196 HB THR 27 HB THR 27 4.787 -8.629 -5.009 197 HG1 THR 27 1HG THR 27 6.119 -7.541 -3.226 198 1HG2 THR 27 1HG2 THR 27 4.511 -6.516 -6.240 199 2HG2 THR 27 2HG2 THR 27 2.934 -7.120 -5.697 200 3HG2 THR 27 3HG2 THR 27 3.718 -5.769 -4.844 201 H LYS 28 H LYS 28 2.619 -9.290 -1.356 202 HA LYS 28 HA LYS 28 4.185 -11.726 -1.395 203 1HB LYS 28 2HB LYS 28 5.274 -11.626 0.755 204 2HB LYS 28 3HB LYS 28 5.811 -10.295 -0.253 205 1HG LYS 28 2HG LYS 28 5.375 -8.939 1.429 206 2HG LYS 28 3HG LYS 28 3.655 -9.175 1.069 207 1HD LYS 28 2HD LYS 28 4.095 -11.329 2.692 208 2HD LYS 28 3HD LYS 28 5.364 -10.267 3.303 209 1HE LYS 28 2HE LYS 28 2.360 -9.832 3.191 210 2HE LYS 28 3HE LYS 28 3.334 -9.975 4.647 211 1HZ LYS 28 1HZ LYS 28 3.701 -7.729 2.769 212 2HZ LYS 28 2HZ LYS 28 2.543 -7.687 3.905 213 3HZ LYS 28 3HZ LYS 28 4.141 -7.793 4.347 214 H HIS 29 H HIS 29 1.627 -9.814 0.225 215 HA HIS 29 HA HIS 29 0.797 -11.580 2.173 216 1HB HIS 29 2HB HIS 29 -0.798 -9.718 0.365 217 2HB HIS 29 3HB HIS 29 -1.518 -10.620 1.698 218 HD1 HIS 29 1HD HIS 29 -1.362 -9.597 4.058 219 HD2 HIS 29 2HD HIS 29 1.222 -7.843 1.233 220 HE1 HIS 29 1HE HIS 29 -0.234 -7.634 5.214 221 H ARG 30 H ARG 30 -0.152 -11.607 -1.207 222 HA ARG 30 HA ARG 30 -0.509 -13.910 -2.225 223 1HB ARG 30 2HB ARG 30 -1.494 -15.102 -0.355 224 2HB ARG 30 3HB ARG 30 -2.729 -13.861 -0.133 225 1HG ARG 30 2HG ARG 30 -3.586 -14.503 -2.493 226 2HG ARG 30 3HG ARG 30 -2.447 -15.836 -2.439 227 1HD ARG 30 2HD ARG 30 -3.707 -16.891 -0.662 228 2HD ARG 30 3HD ARG 30 -4.456 -15.373 -0.211 229 HE ARG 30 HE ARG 30 -6.170 -15.658 -1.672 230 1HH1 ARG 30 2HH2 ARG 30 -3.556 -17.736 -2.789 231 2HH1 ARG 30 1HH2 ARG 30 -4.523 -18.523 -4.002 232 1HH2 ARG 30 2HH1 ARG 30 -7.414 -16.592 -3.115 233 2HH2 ARG 30 1HH1 ARG 30 -6.865 -17.834 -4.231 234 H GLY 31 H GLY 31 -3.499 -12.283 -1.137 235 1HA GLY 31 2HA GLY 31 -4.212 -11.885 -3.907 236 2HA GLY 31 1HA GLY 31 -5.193 -11.565 -2.470 237 H ILE 32 H ILE 32 -2.086 -10.292 -3.712 238 HA ILE 32 HA ILE 32 -3.327 -7.638 -4.103 239 HB ILE 32 HB ILE 32 -0.638 -8.280 -2.915 240 1HG1 ILE 32 2HG1 ILE 32 -2.450 -5.894 -2.574 241 2HG1 ILE 32 3HG1 ILE 32 -2.889 -7.422 -1.795 242 1HG2 ILE 32 1HG2 ILE 32 0.123 -5.964 -3.583 243 2HG2 ILE 32 2HG2 ILE 32 0.006 -7.051 -4.953 244 3HG2 ILE 32 3HG2 ILE 32 -1.277 -5.858 -4.658 245 1HD1 ILE 32 1HD1 ILE 32 -0.206 -6.098 -1.432 246 2HD1 ILE 32 2HD1 ILE 32 -1.548 -6.064 -0.251 247 3HD1 ILE 32 3HD1 ILE 32 -0.762 -7.604 -0.690 248 H LEU 33 H LEU 33 -3.444 -7.263 -6.174 249 HA LEU 33 HA LEU 33 -2.158 -9.145 -7.983 250 1HB LEU 33 2HB LEU 33 -3.919 -6.702 -8.530 251 2HB LEU 33 3HB LEU 33 -3.439 -7.891 -9.750 252 HG LEU 33 HG LEU 33 -5.121 -8.507 -7.276 253 1HD1 LEU 33 1HD1 LEU 33 -6.301 -7.001 -8.803 254 2HD1 LEU 33 2HD1 LEU 33 -5.982 -8.102 -10.165 255 3HD1 LEU 33 3HD1 LEU 33 -7.023 -8.619 -8.820 256 1HD2 LEU 33 1HD2 LEU 33 -4.403 -10.163 -9.744 257 2HD2 LEU 33 2HD2 LEU 33 -3.969 -10.517 -8.053 258 3HD2 LEU 33 3HD2 LEU 33 -5.653 -10.607 -8.569 259 H TYR 34 H TYR 34 -1.981 -5.663 -7.094 260 HA TYR 34 HA TYR 34 0.803 -5.698 -7.744 261 1HB TYR 34 2HB TYR 34 -0.232 -5.280 -10.023 262 2HB TYR 34 3HB TYR 34 -1.027 -3.857 -9.355 263 HD1 TYR 34 HD1 TYR 34 0.031 -1.835 -9.940 264 HD2 TYR 34 HD2 TYR 34 2.425 -5.381 -9.433 265 HE1 TYR 34 HE1 TYR 34 2.077 -0.551 -10.521 266 HE2 TYR 34 HE2 TYR 34 4.483 -4.044 -9.841 267 HH TYR 34 HH TYR 34 4.451 -0.582 -9.882 268 H CYS 35 H CYS 35 1.815 -3.664 -6.970 269 HA CYS 35 HA CYS 35 0.040 -1.765 -5.597 270 1HB CYS 35 2HB CYS 35 0.968 -2.979 -3.677 271 2HB CYS 35 3HB CYS 35 2.582 -3.008 -4.435 272 HG CYS 35 HG CYS 35 2.798 -1.375 -2.550 273 H SER 36 H SER 36 0.849 0.363 -6.003 274 HA SER 36 HA SER 36 3.615 0.447 -6.441 275 1HB SER 36 2HB SER 36 2.046 0.945 -8.854 276 2HB SER 36 3HB SER 36 2.940 2.395 -8.388 277 HG SER 36 HG SER 36 4.809 0.963 -8.096 278 H VAL 37 H VAL 37 4.597 2.354 -5.882 279 HA VAL 37 HA VAL 37 2.801 4.176 -4.385 280 HB VAL 37 HB VAL 37 3.300 2.112 -3.180 281 1HG1 VAL 37 1HG1 VAL 37 5.804 2.111 -4.241 282 2HG1 VAL 37 2HG1 VAL 37 6.153 2.808 -2.665 283 3HG1 VAL 37 3HG1 VAL 37 5.342 1.233 -2.798 284 1HG2 VAL 37 1HG2 VAL 37 4.760 4.327 -1.772 285 2HG2 VAL 37 2HG2 VAL 37 3.017 4.379 -2.044 286 3HG2 VAL 37 3HG2 VAL 37 3.732 3.037 -1.122 287 H ALA 38 H ALA 38 3.174 6.178 -4.802 288 HA ALA 38 HA ALA 38 5.891 6.912 -5.812 289 1HB ALA 38 1HB ALA 38 4.055 7.417 -7.325 290 2HB ALA 38 2HB ALA 38 3.277 8.417 -6.067 291 3HB ALA 38 3HB ALA 38 4.877 8.875 -6.713 292 H LEU 39 H LEU 39 7.142 8.268 -4.783 293 HA LEU 39 HA LEU 39 6.523 9.198 -2.094 294 1HB LEU 39 2HB LEU 39 8.751 10.053 -2.020 295 2HB LEU 39 3HB LEU 39 8.754 8.442 -2.721 296 HG LEU 39 HG LEU 39 8.693 9.850 -5.037 297 1HD1 LEU 39 1HD1 LEU 39 8.723 12.095 -3.858 298 2HD1 LEU 39 2HD1 LEU 39 10.250 11.630 -3.094 299 3HD1 LEU 39 3HD1 LEU 39 10.156 11.821 -4.854 300 1HD2 LEU 39 1HD2 LEU 39 11.152 9.586 -5.089 301 2HD2 LEU 39 2HD2 LEU 39 11.152 9.307 -3.334 302 3HD2 LEU 39 3HD2 LEU 39 10.354 8.152 -4.423 303 H ALA 40 H ALA 40 6.545 10.578 -5.322 304 HA ALA 40 HA ALA 40 6.642 13.253 -4.987 305 1HB ALA 40 1HB ALA 40 6.394 12.128 -7.155 306 2HB ALA 40 2HB ALA 40 4.691 11.760 -6.792 307 3HB ALA 40 3HB ALA 40 5.218 13.446 -6.989 308 H THR 41 H THR 41 3.685 11.312 -4.422 309 HA THR 41 HA THR 41 2.600 13.582 -2.809 310 HB THR 41 HB THR 41 1.605 13.348 -5.063 311 HG1 THR 41 1HG THR 41 -0.443 13.813 -4.234 312 1HG2 THR 41 1HG2 THR 41 0.029 11.058 -3.882 313 2HG2 THR 41 2HG2 THR 41 -0.070 11.707 -5.525 314 3HG2 THR 41 3HG2 THR 41 1.377 10.804 -5.026 315 H ASN 42 H ASN 42 4.218 11.188 -2.296 316 HA ASN 42 HA ASN 42 4.395 9.378 -0.878 317 1HB ASN 42 2HB ASN 42 3.632 11.846 0.530 318 2HB ASN 42 3HB ASN 42 3.213 10.426 1.466 319 1HD2 ASN 42 1HD2 ASN 42 6.081 11.367 -0.611 320 2HD2 ASN 42 2HD2 ASN 42 7.239 10.861 0.620 321 H LYS 43 H LYS 43 2.738 8.385 -2.448 322 HA LYS 43 HA LYS 43 0.383 7.432 -0.901 323 1HB LYS 43 2HB LYS 43 -0.285 9.500 -1.979 324 2HB LYS 43 3HB LYS 43 0.264 8.882 -3.549 325 1HG LYS 43 2HG LYS 43 -1.769 7.258 -2.027 326 2HG LYS 43 3HG LYS 43 -2.313 8.801 -2.653 327 1HD LYS 43 2HD LYS 43 -0.976 6.659 -4.383 328 2HD LYS 43 3HD LYS 43 -2.715 6.867 -4.167 329 1HE LYS 43 2HE LYS 43 -2.152 9.405 -4.895 330 2HE LYS 43 3HE LYS 43 -0.743 8.639 -5.626 331 1HZ LYS 43 1HZ LYS 43 -2.183 7.215 -6.880 332 2HZ LYS 43 2HZ LYS 43 -3.511 7.720 -6.128 333 3HZ LYS 43 3HZ LYS 43 -2.703 8.762 -7.116 334 H ALA 44 H ALA 44 -0.298 5.478 -1.326 335 HA ALA 44 HA ALA 44 1.021 3.876 -3.459 336 1HB ALA 44 1HB ALA 44 1.392 3.311 -0.933 337 2HB ALA 44 2HB ALA 44 -0.297 2.822 -0.953 338 3HB ALA 44 3HB ALA 44 0.877 2.019 -2.024 339 H HIS 45 H HIS 45 -0.298 2.672 -4.857 340 HA HIS 45 HA HIS 45 -3.151 2.505 -4.101 341 1HB HIS 45 2HB HIS 45 -3.840 2.269 -6.247 342 2HB HIS 45 3HB HIS 45 -2.716 3.613 -6.381 343 HD1 HIS 45 1HD HIS 45 -1.313 3.322 -8.541 344 HD2 HIS 45 2HD HIS 45 -2.617 -0.306 -6.842 345 HE1 HIS 45 1HE HIS 45 -0.700 1.473 -10.189 346 H ILE 46 H ILE 46 -3.802 0.428 -3.769 347 HA ILE 46 HA ILE 46 -1.874 -1.804 -4.260 348 HB ILE 46 HB ILE 46 -3.721 -1.379 -1.866 349 1HG1 ILE 46 2HG1 ILE 46 -1.716 -1.654 -0.508 350 2HG1 ILE 46 3HG1 ILE 46 -0.687 -1.760 -1.945 351 1HG2 ILE 46 1HG2 ILE 46 -1.943 -3.712 -2.686 352 2HG2 ILE 46 2HG2 ILE 46 -2.824 -3.600 -1.145 353 3HG2 ILE 46 3HG2 ILE 46 -3.714 -3.724 -2.660 354 1HD1 ILE 46 1HD1 ILE 46 -2.326 0.732 -1.479 355 2HD1 ILE 46 2HD1 ILE 46 -0.851 0.439 -0.527 356 3HD1 ILE 46 3HD1 ILE 46 -0.754 0.516 -2.283 357 H LYS 47 H LYS 47 -2.766 -2.973 -5.880 358 HA LYS 47 HA LYS 47 -5.674 -2.999 -6.379 359 1HB LYS 47 2HB LYS 47 -3.488 -4.399 -7.937 360 2HB LYS 47 3HB LYS 47 -5.166 -4.092 -8.389 361 1HG LYS 47 2HG LYS 47 -4.447 -1.541 -8.187 362 2HG LYS 47 3HG LYS 47 -2.803 -2.183 -8.248 363 1HD LYS 47 2HD LYS 47 -3.422 -3.460 -10.339 364 2HD LYS 47 3HD LYS 47 -5.043 -2.737 -10.267 365 1HE LYS 47 2HE LYS 47 -3.979 -0.455 -10.442 366 2HE LYS 47 3HE LYS 47 -2.405 -1.254 -10.658 367 1HZ LYS 47 1HZ LYS 47 -3.373 -0.666 -12.750 368 2HZ LYS 47 2HZ LYS 47 -3.251 -2.300 -12.629 369 3HZ LYS 47 3HZ LYS 47 -4.715 -1.570 -12.450 370 H TYR 48 H TYR 48 -6.846 -4.758 -5.467 371 HA TYR 48 HA TYR 48 -5.314 -7.140 -4.672 372 1HB TYR 48 2HB TYR 48 -5.759 -6.962 -2.371 373 2HB TYR 48 3HB TYR 48 -4.991 -5.484 -2.851 374 HD1 TYR 48 HD1 TYR 48 -5.977 -3.444 -2.067 375 HD2 TYR 48 HD2 TYR 48 -8.266 -7.093 -2.041 376 HE1 TYR 48 HE1 TYR 48 -7.444 -2.546 -0.289 377 HE2 TYR 48 HE2 TYR 48 -9.744 -6.180 -0.351 378 HH TYR 48 HH TYR 48 -10.245 -4.365 0.959 379 H ASP 49 H ASP 49 -6.468 -8.764 -3.607 380 HA ASP 49 HA ASP 49 -8.936 -9.328 -5.108 381 1HB ASP 49 2HB ASP 49 -7.094 -11.159 -3.546 382 2HB ASP 49 3HB ASP 49 -8.457 -11.646 -4.554 383 HA PRO 50 HA PRO 50 -10.718 -8.328 -1.084 384 1HB PRO 50 2HB PRO 50 -13.386 -8.300 -1.698 385 2HB PRO 50 3HB PRO 50 -12.234 -7.042 -2.225 386 1HG PRO 50 2HG PRO 50 -13.177 -9.447 -3.808 387 2HG PRO 50 3HG PRO 50 -13.141 -7.736 -4.334 388 1HD PRO 50 2HD PRO 50 -11.157 -9.470 -4.979 389 2HD PRO 50 3HD PRO 50 -10.775 -7.773 -4.558 390 H GLU 51 H GLU 51 -10.671 -11.432 -2.401 391 HA GLU 51 HA GLU 51 -12.529 -12.758 -0.663 392 1HB GLU 51 2HB GLU 51 -11.100 -14.753 -1.093 393 2HB GLU 51 3HB GLU 51 -11.698 -13.982 -2.562 394 1HG GLU 51 2HG GLU 51 -9.568 -13.139 -3.159 395 2HG GLU 51 3HG GLU 51 -8.963 -13.268 -1.494 396 H ILE 52 H ILE 52 -9.287 -11.432 -0.225 397 HA ILE 52 HA ILE 52 -8.991 -12.867 2.385 398 HB ILE 52 HB ILE 52 -7.767 -13.836 0.623 399 1HG1 ILE 52 2HG1 ILE 52 -6.876 -13.564 3.009 400 2HG1 ILE 52 3HG1 ILE 52 -5.842 -14.215 1.731 401 1HG2 ILE 52 1HG2 ILE 52 -7.395 -11.956 -0.950 402 2HG2 ILE 52 2HG2 ILE 52 -6.202 -11.277 0.131 403 3HG2 ILE 52 3HG2 ILE 52 -5.941 -12.872 -0.580 404 1HD1 ILE 52 1HD1 ILE 52 -4.617 -12.687 3.194 405 2HD1 ILE 52 2HD1 ILE 52 -4.647 -12.090 1.533 406 3HD1 ILE 52 3HD1 ILE 52 -5.702 -11.361 2.766 407 H ILE 53 H ILE 53 -7.820 -9.967 0.669 408 HA ILE 53 HA ILE 53 -6.782 -9.084 3.284 409 HB ILE 53 HB ILE 53 -5.394 -9.507 1.218 410 1HG1 ILE 53 2HG1 ILE 53 -5.051 -6.789 2.513 411 2HG1 ILE 53 3HG1 ILE 53 -4.659 -8.372 3.238 412 1HG2 ILE 53 1HG2 ILE 53 -6.373 -6.772 0.347 413 2HG2 ILE 53 2HG2 ILE 53 -5.198 -7.835 -0.454 414 3HG2 ILE 53 3HG2 ILE 53 -6.896 -8.310 -0.390 415 1HD1 ILE 53 1HD1 ILE 53 -2.649 -7.477 2.318 416 2HD1 ILE 53 2HD1 ILE 53 -3.175 -8.922 1.410 417 3HD1 ILE 53 3HD1 ILE 53 -3.399 -7.293 0.722 418 H GLY 54 H GLY 54 -6.969 -6.909 4.003 419 1HA GLY 54 2HA GLY 54 -9.220 -5.319 2.828 420 2HA GLY 54 1HA GLY 54 -9.078 -5.674 4.562 421 HA PRO 55 HA PRO 55 -6.544 -1.784 3.722 422 1HB PRO 55 2HB PRO 55 -7.800 -0.319 5.706 423 2HB PRO 55 3HB PRO 55 -8.280 -0.308 3.987 424 1HG PRO 55 2HG PRO 55 -9.493 -1.923 6.236 425 2HG PRO 55 3HG PRO 55 -10.336 -0.970 4.982 426 1HD PRO 55 2HD PRO 55 -10.048 -3.643 4.738 427 2HD PRO 55 3HD PRO 55 -9.864 -2.594 3.307 428 H ARG 56 H ARG 56 -7.887 -3.488 6.569 429 HA ARG 56 HA ARG 56 -6.108 -2.784 8.510 430 1HB ARG 56 2HB ARG 56 -6.686 -4.868 9.654 431 2HB ARG 56 3HB ARG 56 -8.060 -4.004 9.003 432 1HG ARG 56 2HG ARG 56 -8.786 -5.835 7.974 433 2HG ARG 56 3HG ARG 56 -7.358 -5.849 6.959 434 1HD ARG 56 2HD ARG 56 -6.250 -7.007 9.097 435 2HD ARG 56 3HD ARG 56 -7.916 -7.424 9.502 436 HE ARG 56 HE ARG 56 -6.130 -8.538 7.501 437 1HH1 ARG 56 2HH2 ARG 56 -9.588 -8.032 7.871 438 2HH1 ARG 56 1HH2 ARG 56 -9.994 -9.055 6.512 439 1HH2 ARG 56 2HH1 ARG 56 -6.540 -9.639 5.825 440 2HH2 ARG 56 1HH1 ARG 56 -8.129 -10.087 5.215 441 H ASP 57 H ASP 57 -5.504 -5.643 6.298 442 HA ASP 57 HA ASP 57 -3.126 -6.415 7.590 443 1HB ASP 57 2HB ASP 57 -3.511 -6.759 4.607 444 2HB ASP 57 3HB ASP 57 -2.803 -7.877 5.777 445 H ILE 58 H ILE 58 -3.724 -4.372 4.771 446 HA ILE 58 HA ILE 58 -1.051 -3.770 4.019 447 HB ILE 58 HB ILE 58 -3.614 -2.142 3.762 448 1HG1 ILE 58 2HG1 ILE 58 -2.278 -3.883 1.651 449 2HG1 ILE 58 3HG1 ILE 58 -3.593 -4.449 2.682 450 1HG2 ILE 58 1HG2 ILE 58 -2.332 -0.984 1.885 451 2HG2 ILE 58 2HG2 ILE 58 -1.775 -0.630 3.510 452 3HG2 ILE 58 3HG2 ILE 58 -0.874 -1.778 2.507 453 1HD1 ILE 58 1HD1 ILE 58 -4.568 -3.704 0.635 454 2HD1 ILE 58 2HD1 ILE 58 -5.014 -2.564 1.936 455 3HD1 ILE 58 3HD1 ILE 58 -3.775 -2.117 0.755 456 H ILE 59 H ILE 59 -3.396 -2.022 6.109 457 HA ILE 59 HA ILE 59 -1.708 0.093 6.724 458 HB ILE 59 HB ILE 59 -4.114 -1.104 8.039 459 1HG1 ILE 59 2HG1 ILE 59 -3.695 1.669 6.865 460 2HG1 ILE 59 3HG1 ILE 59 -4.133 0.266 5.891 461 1HG2 ILE 59 1HG2 ILE 59 -2.878 -0.279 9.977 462 2HG2 ILE 59 2HG2 ILE 59 -2.552 1.260 9.165 463 3HG2 ILE 59 3HG2 ILE 59 -4.202 0.821 9.636 464 1HD1 ILE 59 1HD1 ILE 59 -6.137 1.399 6.437 465 2HD1 ILE 59 2HD1 ILE 59 -6.100 -0.102 7.399 466 3HD1 ILE 59 3HD1 ILE 59 -5.741 1.467 8.163 467 H HIS 60 H HIS 60 -2.222 -2.974 8.499 468 HA HIS 60 HA HIS 60 -0.487 -2.462 10.708 469 1HB HIS 60 2HB HIS 60 -1.153 -5.114 9.383 470 2HB HIS 60 3HB HIS 60 -0.457 -4.888 10.991 471 HD1 HIS 60 1HD HIS 60 -3.128 -6.454 10.712 472 HD2 HIS 60 2HD HIS 60 -2.818 -2.312 11.389 473 HE1 HIS 60 1HE HIS 60 -5.332 -5.713 11.771 474 H THR 61 H THR 61 0.020 -3.874 7.490 475 HA THR 61 HA THR 61 2.775 -4.602 7.854 476 HB THR 61 HB THR 61 1.160 -3.876 5.389 477 HG1 THR 61 1HG THR 61 0.433 -5.658 6.430 478 1HG2 THR 61 1HG2 THR 61 2.901 -5.114 4.109 479 2HG2 THR 61 2HG2 THR 61 3.575 -3.650 4.835 480 3HG2 THR 61 3HG2 THR 61 3.897 -5.231 5.580 481 H ILE 62 H ILE 62 1.262 -1.568 6.587 482 HA ILE 62 HA ILE 62 3.863 -0.495 5.924 483 HB ILE 62 HB ILE 62 1.076 0.659 5.834 484 1HG1 ILE 62 2HG1 ILE 62 3.043 -0.323 3.694 485 2HG1 ILE 62 3HG1 ILE 62 1.636 -1.220 4.249 486 1HG2 ILE 62 1HG2 ILE 62 2.105 2.520 4.526 487 2HG2 ILE 62 2HG2 ILE 62 2.714 2.491 6.164 488 3HG2 ILE 62 3HG2 ILE 62 3.705 1.835 4.835 489 1HD1 ILE 62 1HD1 ILE 62 0.206 0.744 3.538 490 2HD1 ILE 62 2HD1 ILE 62 1.644 1.377 2.698 491 3HD1 ILE 62 3HD1 ILE 62 0.966 -0.177 2.224 492 H GLU 63 H GLU 63 1.615 -0.003 8.691 493 HA GLU 63 HA GLU 63 3.258 2.040 9.884 494 1HB GLU 63 2HB GLU 63 2.145 1.559 11.937 495 2HB GLU 63 3HB GLU 63 1.023 1.731 10.588 496 1HG GLU 63 2HG GLU 63 0.059 0.004 11.736 497 2HG GLU 63 3HG GLU 63 1.037 -0.862 10.556 498 H SER 64 H SER 64 3.206 -1.504 10.242 499 HA SER 64 HA SER 64 5.484 -1.714 11.837 500 1HB SER 64 2HB SER 64 3.964 -3.584 11.312 501 2HB SER 64 3HB SER 64 4.674 -3.702 9.690 502 HG SER 64 HG SER 64 6.755 -3.800 11.089 503 H LEU 65 H LEU 65 5.435 -1.337 8.246 504 HA LEU 65 HA LEU 65 8.318 -1.475 7.932 505 1HB LEU 65 2HB LEU 65 6.253 0.080 6.331 506 2HB LEU 65 3HB LEU 65 7.951 -0.085 5.902 507 HG LEU 65 HG LEU 65 5.983 -2.398 6.070 508 1HD1 LEU 65 1HD1 LEU 65 5.562 -0.771 4.215 509 2HD1 LEU 65 2HD1 LEU 65 7.233 -1.008 3.663 510 3HD1 LEU 65 3HD1 LEU 65 6.082 -2.359 3.642 511 1HD2 LEU 65 1HD2 LEU 65 8.892 -2.280 5.167 512 2HD2 LEU 65 2HD2 LEU 65 8.234 -3.218 6.528 513 3HD2 LEU 65 3HD2 LEU 65 7.792 -3.643 4.874 514 H GLY 66 H GLY 66 6.079 1.220 8.599 515 1HA GLY 66 2HA GLY 66 6.795 2.809 10.305 516 2HA GLY 66 1HA GLY 66 8.398 2.869 9.578 517 H PHE 67 H PHE 67 5.085 3.041 8.120 518 HA PHE 67 HA PHE 67 5.510 5.918 7.538 519 1HB PHE 67 2HB PHE 67 4.318 4.023 5.494 520 2HB PHE 67 3HB PHE 67 4.726 5.711 5.287 521 HD1 PHE 67 1HD PHE 67 5.942 2.267 5.103 522 HD2 PHE 67 2HD PHE 67 7.221 6.360 5.364 523 HE1 PHE 67 1HE PHE 67 8.130 1.641 4.125 524 HE2 PHE 67 2HE PHE 67 9.443 5.727 4.454 525 HZ PHE 67 HZ PHE 67 9.884 3.368 3.800 526 H GLU 68 H GLU 68 3.301 6.975 7.197 527 HA GLU 68 HA GLU 68 1.263 5.663 8.886 528 1HB GLU 68 2HB GLU 68 1.318 8.409 7.631 529 2HB GLU 68 3HB GLU 68 0.262 7.827 8.891 530 1HG GLU 68 2HG GLU 68 2.095 7.792 10.499 531 2HG GLU 68 3HG GLU 68 3.286 8.127 9.224 532 HA PRO 69 HA PRO 69 -0.600 4.887 4.703 533 1HB PRO 69 2HB PRO 69 -1.969 2.609 5.195 534 2HB PRO 69 3HB PRO 69 -0.186 2.635 5.100 535 1HG PRO 69 2HG PRO 69 -1.916 2.711 7.563 536 2HG PRO 69 3HG PRO 69 -0.487 1.677 7.247 537 1HD PRO 69 2HD PRO 69 -0.334 4.000 8.695 538 2HD PRO 69 3HD PRO 69 0.982 3.365 7.667 539 H SER 70 H SER 70 -1.688 6.977 5.248 540 HA SER 70 HA SER 70 -4.280 6.872 6.582 541 1HB SER 70 2HB SER 70 -2.933 9.034 4.929 542 2HB SER 70 3HB SER 70 -4.386 9.238 5.932 543 HG SER 70 HG SER 70 -2.344 9.782 6.997 544 H LEU 71 H LEU 71 -5.617 5.480 5.488 545 HA LEU 71 HA LEU 71 -5.964 5.295 2.704 546 1HB LEU 71 2HB LEU 71 -7.792 3.872 3.131 547 2HB LEU 71 3HB LEU 71 -6.448 3.485 4.194 548 HG LEU 71 HG LEU 71 -8.961 5.002 5.078 549 1HD1 LEU 71 1HD1 LEU 71 -9.458 2.715 4.349 550 2HD1 LEU 71 2HD1 LEU 71 -8.183 2.091 5.416 551 3HD1 LEU 71 3HD1 LEU 71 -9.618 2.883 6.103 552 1HD2 LEU 71 1HD2 LEU 71 -8.179 4.275 7.369 553 2HD2 LEU 71 2HD2 LEU 71 -6.607 3.883 6.648 554 3HD2 LEU 71 3HD2 LEU 71 -7.226 5.558 6.637 555 H VAL 72 H VAL 72 -6.046 7.845 2.544 556 HA VAL 72 HA VAL 72 -8.766 8.921 2.646 557 HB VAL 72 HB VAL 72 -6.326 10.099 1.296 558 1HG1 VAL 72 1HG1 VAL 72 -8.850 11.383 2.456 559 2HG1 VAL 72 2HG1 VAL 72 -7.487 12.250 1.722 560 3HG1 VAL 72 3HG1 VAL 72 -8.504 11.211 0.726 561 1HG2 VAL 72 1HG2 VAL 72 -7.264 10.375 4.188 562 2HG2 VAL 72 2HG2 VAL 72 -5.715 9.704 3.638 563 3HG2 VAL 72 3HG2 VAL 72 -6.050 11.418 3.417 564 H LYS 73 H LYS 73 -9.288 6.799 1.392 565 HA LYS 73 HA LYS 73 -10.220 7.673 -1.192 566 1HB LYS 73 2HB LYS 73 -8.003 6.900 -1.911 567 2HB LYS 73 3HB LYS 73 -8.234 5.384 -1.029 568 1HG LYS 73 2HG LYS 73 -8.544 4.922 -3.342 569 2HG LYS 73 3HG LYS 73 -10.106 4.786 -2.551 570 1HD LYS 73 2HD LYS 73 -10.502 7.256 -3.407 571 2HD LYS 73 3HD LYS 73 -9.005 7.022 -4.322 572 1HE LYS 73 2HE LYS 73 -10.829 6.518 -5.809 573 2HE LYS 73 3HE LYS 73 -10.051 4.983 -5.396 574 1HZ LYS 73 1HZ LYS 73 -12.630 6.026 -4.293 575 2HZ LYS 73 2HZ LYS 73 -12.488 4.750 -5.196 576 3HZ LYS 73 3HZ LYS 73 -11.899 4.731 -3.682 577 H ILE 74 H ILE 74 -12.292 7.198 -0.705 578 HA ILE 74 HA ILE 74 -13.015 4.641 0.588 579 HB ILE 74 HB ILE 74 -13.881 6.844 1.306 580 1HG1 ILE 74 2HG1 ILE 74 -16.146 4.958 0.594 581 2HG1 ILE 74 3HG1 ILE 74 -14.945 4.664 1.856 582 1HG2 ILE 74 1HG2 ILE 74 -14.252 7.807 -1.013 583 2HG2 ILE 74 2HG2 ILE 74 -15.760 6.883 -1.075 584 3HG2 ILE 74 3HG2 ILE 74 -15.516 8.095 0.181 585 1HD1 ILE 74 1HD1 ILE 74 -15.602 6.787 2.966 586 2HD1 ILE 74 2HD1 ILE 74 -16.858 7.027 1.727 587 3HD1 ILE 74 3HD1 ILE 74 -16.942 5.635 2.816 588 H GLU 75 H GLU 75 -15.616 4.898 -1.193 589 HA GLU 75 HA GLU 75 -15.112 3.038 -3.220 590 1HB GLU 75 2HB GLU 75 -17.136 5.315 -3.040 591 2HB GLU 75 3HB GLU 75 -17.219 3.963 -4.177 592 1HG GLU 75 2HG GLU 75 -17.440 2.354 -2.349 593 2HG GLU 75 3HG GLU 75 -17.251 3.623 -1.132 Start of MODEL 8 1 1H MET 1 H1 MET 1 -14.430 -11.841 -14.047 2 2H MET 1 H2 MET 1 -15.713 -12.398 -13.139 3 3H MET 1 H3 MET 1 -15.600 -10.793 -13.612 4 HA MET 1 HA MET 1 -15.038 -11.255 -11.253 5 1HB MET 1 2HB MET 1 -12.414 -11.951 -12.657 6 2HB MET 1 3HB MET 1 -12.671 -11.791 -10.911 7 1HG MET 1 2HG MET 1 -14.322 -13.705 -11.056 8 2HG MET 1 3HG MET 1 -13.757 -13.979 -12.713 9 1HE MET 1 1HE MET 1 -9.976 -14.942 -12.029 10 2HE MET 1 2HE MET 1 -11.175 -14.549 -13.283 11 3HE MET 1 3HE MET 1 -10.528 -13.268 -12.221 12 H GLY 2 H GLY 2 -12.768 -9.702 -10.664 13 1HA GLY 2 2HA GLY 2 -12.167 -7.711 -12.598 14 2HA GLY 2 1HA GLY 2 -13.322 -7.100 -11.379 15 H ASP 3 H ASP 3 -10.653 -6.060 -11.421 16 HA ASP 3 HA ASP 3 -9.163 -7.390 -9.265 17 1HB ASP 3 2HB ASP 3 -7.607 -5.510 -9.625 18 2HB ASP 3 3HB ASP 3 -7.941 -6.367 -11.133 19 H GLY 4 H GLY 4 -8.440 -5.566 -7.610 20 1HA GLY 4 2HA GLY 4 -10.789 -3.967 -6.673 21 2HA GLY 4 1HA GLY 4 -9.687 -4.807 -5.561 22 H VAL 5 H VAL 5 -10.115 -1.886 -5.831 23 HA VAL 5 HA VAL 5 -7.284 -1.135 -6.073 24 HB VAL 5 HB VAL 5 -9.508 0.458 -7.443 25 1HG1 VAL 5 1HG1 VAL 5 -7.683 1.863 -6.529 26 2HG1 VAL 5 2HG1 VAL 5 -6.478 0.843 -7.344 27 3HG1 VAL 5 3HG1 VAL 5 -7.615 1.822 -8.293 28 1HG2 VAL 5 1HG2 VAL 5 -8.263 -0.080 -9.565 29 2HG2 VAL 5 2HG2 VAL 5 -7.317 -1.267 -8.644 30 3HG2 VAL 5 3HG2 VAL 5 -9.068 -1.479 -8.847 31 H LEU 6 H LEU 6 -6.777 0.001 -4.246 32 HA LEU 6 HA LEU 6 -8.685 1.937 -3.173 33 1HB LEU 6 2HB LEU 6 -8.970 -0.003 -1.697 34 2HB LEU 6 3HB LEU 6 -7.210 -0.237 -1.638 35 HG LEU 6 HG LEU 6 -6.939 1.878 -0.428 36 1HD1 LEU 6 1HD1 LEU 6 -9.998 1.911 -0.346 37 2HD1 LEU 6 2HD1 LEU 6 -8.937 2.982 0.585 38 3HD1 LEU 6 3HD1 LEU 6 -8.986 3.105 -1.174 39 1HD2 LEU 6 1HD2 LEU 6 -7.898 1.061 1.717 40 2HD2 LEU 6 2HD2 LEU 6 -8.904 -0.089 0.820 41 3HD2 LEU 6 3HD2 LEU 6 -7.132 -0.241 0.794 42 H GLU 7 H GLU 7 -7.449 3.742 -2.437 43 HA GLU 7 HA GLU 7 -4.517 3.531 -2.748 44 1HB GLU 7 2HB GLU 7 -6.026 6.085 -3.304 45 2HB GLU 7 3HB GLU 7 -4.309 5.751 -3.481 46 1HG GLU 7 2HG GLU 7 -4.897 4.012 -5.225 47 2HG GLU 7 3HG GLU 7 -6.541 4.639 -5.240 48 H LEU 8 H LEU 8 -3.299 4.367 -1.236 49 HA LEU 8 HA LEU 8 -4.577 5.612 1.131 50 1HB LEU 8 2HB LEU 8 -2.904 4.290 2.488 51 2HB LEU 8 3HB LEU 8 -4.333 3.435 1.917 52 HG LEU 8 HG LEU 8 -1.788 3.271 0.317 53 1HD1 LEU 8 1HD1 LEU 8 -1.159 1.256 1.610 54 2HD1 LEU 8 2HD1 LEU 8 -1.151 2.705 2.617 55 3HD1 LEU 8 3HD1 LEU 8 -2.502 1.560 2.736 56 1HD2 LEU 8 1HD2 LEU 8 -4.113 1.327 0.798 57 2HD2 LEU 8 2HD2 LEU 8 -3.813 2.197 -0.715 58 3HD2 LEU 8 3HD2 LEU 8 -2.679 0.974 -0.175 59 H VAL 9 H VAL 9 -3.614 7.422 1.634 60 HA VAL 9 HA VAL 9 -1.196 8.345 0.214 61 HB VAL 9 HB VAL 9 -3.066 9.723 2.181 62 1HG1 VAL 9 1HG1 VAL 9 -1.886 11.790 1.459 63 2HG1 VAL 9 2HG1 VAL 9 -0.802 10.669 2.293 64 3HG1 VAL 9 3HG1 VAL 9 -0.740 10.805 0.521 65 1HG2 VAL 9 1HG2 VAL 9 -3.803 10.983 0.177 66 2HG2 VAL 9 2HG2 VAL 9 -2.746 9.986 -0.845 67 3HG2 VAL 9 3HG2 VAL 9 -4.132 9.255 -0.010 68 H VAL 10 H VAL 10 0.669 7.591 1.083 69 HA VAL 10 HA VAL 10 0.664 6.561 3.858 70 HB VAL 10 HB VAL 10 2.745 5.400 2.982 71 1HG1 VAL 10 1HG1 VAL 10 0.629 4.264 3.488 72 2HG1 VAL 10 2HG1 VAL 10 -0.006 4.680 1.884 73 3HG1 VAL 10 3HG1 VAL 10 1.365 3.559 2.041 74 1HG2 VAL 10 1HG2 VAL 10 2.854 4.890 0.644 75 2HG2 VAL 10 2HG2 VAL 10 1.422 5.861 0.281 76 3HG2 VAL 10 3HG2 VAL 10 2.912 6.662 0.814 77 H ARG 11 H ARG 11 1.198 8.289 5.157 78 HA ARG 11 HA ARG 11 3.193 10.233 4.169 79 1HB ARG 11 2HB ARG 11 1.995 10.033 6.946 80 2HB ARG 11 3HB ARG 11 2.936 11.356 6.307 81 1HG ARG 11 2HG ARG 11 0.136 10.473 5.494 82 2HG ARG 11 3HG ARG 11 0.604 11.962 6.314 83 1HD ARG 11 2HD ARG 11 1.124 11.163 3.438 84 2HD ARG 11 3HD ARG 11 0.098 12.492 4.026 85 HE ARG 11 HE ARG 11 2.688 13.005 4.985 86 1HH1 ARG 11 2HH2 ARG 11 0.974 12.933 1.891 87 2HH1 ARG 11 1HH2 ARG 11 2.363 13.484 0.966 88 1HH2 ARG 11 2HH1 ARG 11 4.506 13.892 3.697 89 2HH2 ARG 11 1HH1 ARG 11 4.299 13.975 1.961 90 H GLY 12 H GLY 12 5.248 10.513 5.002 91 1HA GLY 12 2HA GLY 12 7.061 9.894 6.449 92 2HA GLY 12 1HA GLY 12 6.460 8.240 6.519 93 H MET 13 H MET 13 5.923 7.713 3.728 94 HA MET 13 HA MET 13 8.687 7.165 3.080 95 1HB MET 13 2HB MET 13 7.868 5.613 1.544 96 2HB MET 13 3HB MET 13 6.801 5.530 2.944 97 1HG MET 13 2HG MET 13 5.277 5.458 1.279 98 2HG MET 13 3HG MET 13 5.350 7.213 1.455 99 1HE MET 13 1HE MET 13 4.133 5.753 -0.948 100 2HE MET 13 2HE MET 13 4.300 7.481 -0.763 101 3HE MET 13 3HE MET 13 4.749 6.695 -2.315 102 H THR 14 H THR 14 9.949 8.135 1.549 103 HA THR 14 HA THR 14 8.770 10.122 -0.300 104 HB THR 14 HB THR 14 8.780 11.182 1.928 105 HG1 THR 14 1HG THR 14 10.542 12.159 -0.038 106 1HG2 THR 14 1HG2 THR 14 10.732 10.052 2.944 107 2HG2 THR 14 2HG2 THR 14 11.816 10.882 1.807 108 3HG2 THR 14 3HG2 THR 14 10.887 11.814 2.995 109 H CYS 15 H CYS 15 10.929 7.671 -0.297 110 HA CYS 15 HA CYS 15 12.255 8.841 -2.544 111 1HB CYS 15 2HB CYS 15 14.596 8.426 -1.670 112 2HB CYS 15 3HB CYS 15 13.782 9.849 -1.046 113 H ALA 16 H ALA 16 13.736 7.269 -3.549 114 HA ALA 16 HA ALA 16 12.497 4.937 -4.219 115 1HB ALA 16 1HB ALA 16 14.661 4.207 -5.146 116 2HB ALA 16 2HB ALA 16 14.351 5.922 -5.479 117 3HB ALA 16 3HB ALA 16 15.496 5.457 -4.199 118 H SER 17 H SER 17 14.997 5.345 -1.708 119 HA SER 17 HA SER 17 15.551 2.962 -0.635 120 1HB SER 17 2HB SER 17 14.662 5.318 1.047 121 2HB SER 17 3HB SER 17 16.038 4.230 1.293 122 HG SER 17 HG SER 17 16.304 6.487 0.293 123 H CYS 18 H CYS 18 12.538 4.849 -0.083 124 HA CYS 18 HA CYS 18 11.341 2.818 1.638 125 1HB CYS 18 2HB CYS 18 10.014 5.175 0.260 126 2HB CYS 18 3HB CYS 18 9.441 4.200 1.615 127 H VAL 19 H VAL 19 10.940 4.089 -1.698 128 HA VAL 19 HA VAL 19 8.506 2.901 -2.279 129 HB VAL 19 HB VAL 19 10.837 3.443 -4.172 130 1HG1 VAL 19 1HG1 VAL 19 9.215 1.958 -5.301 131 2HG1 VAL 19 2HG1 VAL 19 7.900 3.068 -4.869 132 3HG1 VAL 19 3HG1 VAL 19 9.178 3.587 -5.975 133 1HG2 VAL 19 1HG2 VAL 19 10.023 5.427 -2.901 134 2HG2 VAL 19 2HG2 VAL 19 9.672 5.552 -4.627 135 3HG2 VAL 19 3HG2 VAL 19 8.381 5.105 -3.481 136 H HIS 20 H HIS 20 11.777 1.622 -3.023 137 HA HIS 20 HA HIS 20 10.721 -0.755 -4.179 138 1HB HIS 20 2HB HIS 20 13.047 -1.479 -4.223 139 2HB HIS 20 3HB HIS 20 12.726 0.129 -4.888 140 HD1 HIS 20 1HD HIS 20 15.075 1.086 -4.744 141 HD2 HIS 20 2HD HIS 20 13.654 -0.511 -1.124 142 HE1 HIS 20 1HE HIS 20 16.832 1.603 -2.966 143 H LYS 21 H LYS 21 11.452 0.066 -0.813 144 HA LYS 21 HA LYS 21 11.525 -2.736 -0.014 145 1HB LYS 21 2HB LYS 21 12.178 -2.123 2.004 146 2HB LYS 21 3HB LYS 21 12.689 -0.679 1.140 147 1HG LYS 21 2HG LYS 21 10.552 0.433 1.955 148 2HG LYS 21 3HG LYS 21 10.215 -1.039 2.887 149 1HD LYS 21 2HD LYS 21 12.418 -0.731 4.079 150 2HD LYS 21 3HD LYS 21 12.725 0.693 3.083 151 1HE LYS 21 2HE LYS 21 11.983 1.479 5.229 152 2HE LYS 21 3HE LYS 21 10.738 1.819 4.024 153 1HZ LYS 21 1HZ LYS 21 10.696 -0.393 5.975 154 2HZ LYS 21 2HZ LYS 21 9.758 0.943 6.058 155 3HZ LYS 21 3HZ LYS 21 9.540 -0.118 4.837 156 H ILE 22 H ILE 22 9.191 -0.050 -0.127 157 HA ILE 22 HA ILE 22 7.015 -1.495 1.053 158 HB ILE 22 HB ILE 22 6.878 0.683 -1.055 159 1HG1 ILE 22 2HG1 ILE 22 6.611 0.839 1.950 160 2HG1 ILE 22 3HG1 ILE 22 7.981 1.411 0.968 161 1HG2 ILE 22 1HG2 ILE 22 4.477 0.838 -0.208 162 2HG2 ILE 22 2HG2 ILE 22 4.795 -0.729 -0.920 163 3HG2 ILE 22 3HG2 ILE 22 4.793 -0.527 0.846 164 1HD1 ILE 22 1HD1 ILE 22 6.480 3.004 -0.192 165 2HD1 ILE 22 2HD1 ILE 22 5.201 2.588 0.990 166 3HD1 ILE 22 3HD1 ILE 22 6.713 3.316 1.533 167 H GLU 23 H GLU 23 7.688 -0.938 -2.509 168 HA GLU 23 HA GLU 23 5.724 -2.719 -3.306 169 1HB GLU 23 2HB GLU 23 8.341 -2.142 -4.773 170 2HB GLU 23 3HB GLU 23 6.916 -2.942 -5.445 171 1HG GLU 23 2HG GLU 23 5.766 -0.689 -4.359 172 2HG GLU 23 3HG GLU 23 7.362 -0.061 -4.802 173 H SER 24 H SER 24 9.201 -3.554 -2.888 174 HA SER 24 HA SER 24 9.018 -6.280 -3.466 175 1HB SER 24 2HB SER 24 11.132 -5.064 -3.097 176 2HB SER 24 3HB SER 24 10.762 -4.921 -1.370 177 HG SER 24 HG SER 24 11.125 -7.338 -2.827 178 H SER 25 H SER 25 8.578 -4.689 -0.230 179 HA SER 25 HA SER 25 8.069 -7.262 0.964 180 1HB SER 25 2HB SER 25 9.220 -5.201 1.989 181 2HB SER 25 3HB SER 25 7.586 -4.660 2.380 182 HG SER 25 HG SER 25 7.304 -6.499 3.609 183 H LEU 26 H LEU 26 5.989 -4.872 -0.417 184 HA LEU 26 HA LEU 26 3.537 -6.007 0.709 185 1HB LEU 26 2HB LEU 26 4.218 -4.040 -1.472 186 2HB LEU 26 3HB LEU 26 2.646 -4.814 -1.502 187 HG LEU 26 HG LEU 26 2.751 -2.596 -0.379 188 1HD1 LEU 26 1HD1 LEU 26 1.115 -3.131 1.297 189 2HD1 LEU 26 2HD1 LEU 26 0.898 -4.266 -0.043 190 3HD1 LEU 26 3HD1 LEU 26 1.709 -4.789 1.444 191 1HD2 LEU 26 1HD2 LEU 26 4.805 -2.856 1.012 192 2HD2 LEU 26 2HD2 LEU 26 3.396 -2.469 1.996 193 3HD2 LEU 26 3HD2 LEU 26 4.010 -4.123 1.957 194 H THR 27 H THR 27 5.449 -6.456 -2.330 195 HA THR 27 HA THR 27 3.697 -8.479 -3.327 196 HB THR 27 HB THR 27 5.607 -8.992 -4.880 197 HG1 THR 27 1HG THR 27 7.140 -8.013 -3.184 198 1HG2 THR 27 1HG2 THR 27 3.862 -7.357 -5.481 199 2HG2 THR 27 2HG2 THR 27 4.759 -6.074 -4.644 200 3HG2 THR 27 3HG2 THR 27 5.450 -6.841 -6.084 201 H LYS 28 H LYS 28 3.554 -9.489 -1.255 202 HA LYS 28 HA LYS 28 5.112 -11.946 -0.919 203 1HB LYS 28 2HB LYS 28 4.907 -9.843 1.295 204 2HB LYS 28 3HB LYS 28 5.389 -11.528 1.532 205 1HG LYS 28 2HG LYS 28 7.359 -11.168 0.039 206 2HG LYS 28 3HG LYS 28 6.902 -9.458 -0.104 207 1HD LYS 28 2HD LYS 28 7.042 -9.185 2.335 208 2HD LYS 28 3HD LYS 28 7.511 -10.877 2.534 209 1HE LYS 28 2HE LYS 28 9.643 -10.558 1.599 210 2HE LYS 28 3HE LYS 28 9.170 -9.125 0.696 211 1HZ LYS 28 1HZ LYS 28 9.026 -7.913 2.815 212 2HZ LYS 28 2HZ LYS 28 9.524 -9.257 3.623 213 3HZ LYS 28 3HZ LYS 28 10.528 -8.523 2.546 214 H HIS 29 H HIS 29 2.586 -9.665 0.429 215 HA HIS 29 HA HIS 29 1.133 -11.896 1.552 216 1HB HIS 29 2HB HIS 29 -0.405 -10.390 2.372 217 2HB HIS 29 3HB HIS 29 1.195 -9.706 2.616 218 HD1 HIS 29 1HD HIS 29 -1.950 -9.211 0.485 219 HD2 HIS 29 2HD HIS 29 1.483 -7.191 1.815 220 HE1 HIS 29 1HE HIS 29 -2.388 -6.723 0.121 221 H ARG 30 H ARG 30 0.895 -13.267 -0.200 222 HA ARG 30 HA ARG 30 -0.256 -13.014 -2.642 223 1HB ARG 30 2HB ARG 30 0.382 -15.156 -1.705 224 2HB ARG 30 3HB ARG 30 -0.960 -15.105 -0.544 225 1HG ARG 30 2HG ARG 30 -2.610 -15.237 -2.323 226 2HG ARG 30 3HG ARG 30 -1.364 -15.072 -3.568 227 1HD ARG 30 2HD ARG 30 -1.555 -17.358 -1.548 228 2HD ARG 30 3HD ARG 30 -2.231 -17.452 -3.164 229 HE ARG 30 HE ARG 30 0.546 -17.730 -2.359 230 1HH1 ARG 30 2HH2 ARG 30 -1.507 -16.760 -5.048 231 2HH1 ARG 30 1HH2 ARG 30 -0.364 -17.148 -6.296 232 1HH2 ARG 30 2HH1 ARG 30 2.121 -18.245 -3.978 233 2HH2 ARG 30 1HH1 ARG 30 1.763 -18.004 -5.655 234 H GLY 31 H GLY 31 -1.924 -11.849 -3.351 235 1HA GLY 31 2HA GLY 31 -4.484 -11.536 -3.052 236 2HA GLY 31 1HA GLY 31 -4.011 -10.954 -1.437 237 H ILE 32 H ILE 32 -1.436 -9.760 -2.274 238 HA ILE 32 HA ILE 32 -2.468 -7.330 -3.432 239 HB ILE 32 HB ILE 32 -0.353 -7.976 -1.813 240 1HG1 ILE 32 2HG1 ILE 32 -1.507 -5.858 -2.005 241 2HG1 ILE 32 3HG1 ILE 32 0.247 -5.696 -1.875 242 1HG2 ILE 32 1HG2 ILE 32 1.126 -8.849 -3.460 243 2HG2 ILE 32 2HG2 ILE 32 0.913 -7.427 -4.513 244 3HG2 ILE 32 3HG2 ILE 32 1.695 -7.244 -2.949 245 1HD1 ILE 32 1HD1 ILE 32 -1.390 -5.411 -4.430 246 2HD1 ILE 32 2HD1 ILE 32 -0.571 -4.120 -3.549 247 3HD1 ILE 32 3HD1 ILE 32 0.389 -5.341 -4.358 248 H LEU 33 H LEU 33 -2.794 -6.995 -5.568 249 HA LEU 33 HA LEU 33 -1.421 -8.696 -7.570 250 1HB LEU 33 2HB LEU 33 -3.608 -6.643 -7.940 251 2HB LEU 33 3HB LEU 33 -3.022 -7.815 -9.119 252 HG LEU 33 HG LEU 33 -4.481 -8.516 -6.526 253 1HD1 LEU 33 1HD1 LEU 33 -5.408 -8.492 -9.428 254 2HD1 LEU 33 2HD1 LEU 33 -6.349 -9.063 -8.037 255 3HD1 LEU 33 3HD1 LEU 33 -5.909 -7.353 -8.157 256 1HD2 LEU 33 1HD2 LEU 33 -2.990 -10.344 -7.178 257 2HD2 LEU 33 2HD2 LEU 33 -4.655 -10.773 -7.580 258 3HD2 LEU 33 3HD2 LEU 33 -3.551 -10.244 -8.865 259 H TYR 34 H TYR 34 -1.595 -5.189 -6.507 260 HA TYR 34 HA TYR 34 0.876 -4.746 -7.922 261 1HB TYR 34 2HB TYR 34 -1.288 -4.504 -9.573 262 2HB TYR 34 3HB TYR 34 -1.276 -2.892 -8.881 263 HD1 TYR 34 HD1 TYR 34 0.755 -1.421 -9.199 264 HD2 TYR 34 HD2 TYR 34 0.424 -5.289 -11.070 265 HE1 TYR 34 HE1 TYR 34 2.635 -0.854 -10.712 266 HE2 TYR 34 HE2 TYR 34 2.269 -4.696 -12.614 267 HH TYR 34 HH TYR 34 4.016 -1.587 -12.401 268 H CYS 35 H CYS 35 1.906 -2.866 -7.216 269 HA CYS 35 HA CYS 35 0.635 -1.353 -4.987 270 1HB CYS 35 2HB CYS 35 2.692 -1.934 -3.634 271 2HB CYS 35 3HB CYS 35 1.693 -3.324 -4.006 272 HG CYS 35 HG CYS 35 4.365 -2.288 -5.740 273 H SER 36 H SER 36 0.917 0.084 -7.216 274 HA SER 36 HA SER 36 3.659 0.900 -7.668 275 1HB SER 36 2HB SER 36 1.763 0.819 -9.381 276 2HB SER 36 3HB SER 36 1.218 2.364 -8.708 277 HG SER 36 HG SER 36 3.861 1.872 -9.634 278 H VAL 37 H VAL 37 4.232 1.542 -5.473 279 HA VAL 37 HA VAL 37 2.802 3.663 -4.258 280 HB VAL 37 HB VAL 37 3.599 1.711 -3.143 281 1HG1 VAL 37 1HG1 VAL 37 5.765 1.068 -2.838 282 2HG1 VAL 37 2HG1 VAL 37 5.911 1.745 -4.462 283 3HG1 VAL 37 3HG1 VAL 37 6.434 2.694 -3.071 284 1HG2 VAL 37 1HG2 VAL 37 5.050 4.072 -1.962 285 2HG2 VAL 37 2HG2 VAL 37 3.274 3.911 -1.941 286 3HG2 VAL 37 3HG2 VAL 37 4.271 2.720 -1.127 287 H ALA 38 H ALA 38 3.013 5.311 -5.885 288 HA ALA 38 HA ALA 38 5.607 6.455 -6.382 289 1HB ALA 38 1HB ALA 38 2.908 7.687 -6.950 290 2HB ALA 38 2HB ALA 38 4.517 8.239 -7.490 291 3HB ALA 38 3HB ALA 38 3.880 6.667 -8.055 292 H LEU 39 H LEU 39 6.688 7.815 -5.333 293 HA LEU 39 HA LEU 39 5.802 8.661 -2.714 294 1HB LEU 39 2HB LEU 39 8.008 8.892 -2.104 295 2HB LEU 39 3HB LEU 39 7.878 7.455 -3.090 296 HG LEU 39 HG LEU 39 9.908 8.441 -3.566 297 1HD1 LEU 39 1HD1 LEU 39 9.932 8.859 -5.927 298 2HD1 LEU 39 2HD1 LEU 39 8.755 7.587 -5.568 299 3HD1 LEU 39 3HD1 LEU 39 8.205 9.237 -5.947 300 1HD2 LEU 39 1HD2 LEU 39 8.777 11.120 -4.401 301 2HD2 LEU 39 2HD2 LEU 39 9.274 10.777 -2.735 302 3HD2 LEU 39 3HD2 LEU 39 10.442 10.655 -4.060 303 H ALA 40 H ALA 40 6.453 10.374 -5.714 304 HA ALA 40 HA ALA 40 6.723 12.994 -4.687 305 1HB ALA 40 1HB ALA 40 5.862 13.717 -6.885 306 2HB ALA 40 2HB ALA 40 7.051 12.411 -7.061 307 3HB ALA 40 3HB ALA 40 5.315 12.063 -7.231 308 H THR 41 H THR 41 3.823 10.986 -5.264 309 HA THR 41 HA THR 41 1.925 13.006 -4.321 310 HB THR 41 HB THR 41 0.505 10.821 -4.872 311 HG1 THR 41 1HG THR 41 2.498 9.495 -5.077 312 1HG2 THR 41 1HG2 THR 41 1.998 12.385 -7.025 313 2HG2 THR 41 2HG2 THR 41 0.528 11.421 -7.274 314 3HG2 THR 41 3HG2 THR 41 0.474 12.868 -6.246 315 H ASN 42 H ASN 42 4.067 10.920 -2.842 316 HA ASN 42 HA ASN 42 4.148 9.487 -1.184 317 1HB ASN 42 2HB ASN 42 2.244 11.382 0.161 318 2HB ASN 42 3HB ASN 42 3.281 10.213 0.984 319 1HD2 ASN 42 1HD2 ASN 42 5.819 10.485 0.507 320 2HD2 ASN 42 2HD2 ASN 42 6.324 12.146 0.399 321 H LYS 43 H LYS 43 2.419 8.299 -3.018 322 HA LYS 43 HA LYS 43 0.130 7.369 -1.346 323 1HB LYS 43 2HB LYS 43 -1.248 7.046 -3.203 324 2HB LYS 43 3HB LYS 43 -0.760 8.743 -3.156 325 1HG LYS 43 2HG LYS 43 0.559 8.529 -5.080 326 2HG LYS 43 3HG LYS 43 0.789 6.802 -4.928 327 1HD LYS 43 2HD LYS 43 -0.646 7.330 -6.797 328 2HD LYS 43 3HD LYS 43 -1.479 6.339 -5.587 329 1HE LYS 43 2HE LYS 43 -2.682 8.288 -4.731 330 2HE LYS 43 3HE LYS 43 -1.805 9.382 -5.817 331 1HZ LYS 43 1HZ LYS 43 -3.261 7.134 -6.981 332 2HZ LYS 43 2HZ LYS 43 -4.170 8.229 -6.341 333 3HZ LYS 43 3HZ LYS 43 -3.119 8.678 -7.571 334 H ALA 44 H ALA 44 -0.460 5.201 -1.506 335 HA ALA 44 HA ALA 44 0.899 3.612 -3.603 336 1HB ALA 44 1HB ALA 44 -0.174 2.458 -0.995 337 2HB ALA 44 2HB ALA 44 0.588 1.576 -2.329 338 3HB ALA 44 3HB ALA 44 1.549 2.671 -1.321 339 H HIS 45 H HIS 45 -0.508 2.626 -4.978 340 HA HIS 45 HA HIS 45 -3.342 2.528 -4.165 341 1HB HIS 45 2HB HIS 45 -3.988 1.998 -6.317 342 2HB HIS 45 3HB HIS 45 -2.968 3.424 -6.491 343 HD1 HIS 45 1HD HIS 45 -1.613 3.171 -8.657 344 HD2 HIS 45 2HD HIS 45 -2.576 -0.451 -6.782 345 HE1 HIS 45 1HE HIS 45 -0.877 1.305 -10.244 346 H ILE 46 H ILE 46 -3.959 0.440 -3.565 347 HA ILE 46 HA ILE 46 -1.931 -1.731 -3.960 348 HB ILE 46 HB ILE 46 -3.513 -1.078 -1.476 349 1HG1 ILE 46 2HG1 ILE 46 -1.216 -0.110 -1.820 350 2HG1 ILE 46 3HG1 ILE 46 -1.418 -1.118 -0.371 351 1HG2 ILE 46 1HG2 ILE 46 -2.383 -3.731 -2.374 352 2HG2 ILE 46 2HG2 ILE 46 -2.497 -3.328 -0.653 353 3HG2 ILE 46 3HG2 ILE 46 -3.949 -3.365 -1.660 354 1HD1 ILE 46 1HD1 ILE 46 -0.002 -1.925 -2.922 355 2HD1 ILE 46 2HD1 ILE 46 0.740 -1.501 -1.380 356 3HD1 ILE 46 3HD1 ILE 46 -0.242 -2.969 -1.505 357 H LYS 47 H LYS 47 -2.746 -2.802 -5.572 358 HA LYS 47 HA LYS 47 -5.656 -3.164 -5.836 359 1HB LYS 47 2HB LYS 47 -3.319 -4.252 -7.462 360 2HB LYS 47 3HB LYS 47 -5.031 -4.523 -7.780 361 1HG LYS 47 2HG LYS 47 -4.928 -1.746 -7.629 362 2HG LYS 47 3HG LYS 47 -3.340 -2.109 -8.291 363 1HD LYS 47 2HD LYS 47 -4.444 -3.610 -10.011 364 2HD LYS 47 3HD LYS 47 -6.014 -3.202 -9.300 365 1HE LYS 47 2HE LYS 47 -5.494 -0.749 -9.880 366 2HE LYS 47 3HE LYS 47 -4.152 -1.363 -10.856 367 1HZ LYS 47 1HZ LYS 47 -6.970 -2.236 -11.146 368 2HZ LYS 47 2HZ LYS 47 -6.280 -1.081 -12.096 369 3HZ LYS 47 3HZ LYS 47 -5.755 -2.646 -12.122 370 H TYR 48 H TYR 48 -5.477 -4.067 -3.503 371 HA TYR 48 HA TYR 48 -4.695 -6.833 -3.349 372 1HB TYR 48 2HB TYR 48 -5.657 -6.942 -1.232 373 2HB TYR 48 3HB TYR 48 -4.800 -5.440 -1.363 374 HD1 TYR 48 HD1 TYR 48 -6.220 -3.247 -1.661 375 HD2 TYR 48 HD2 TYR 48 -7.959 -7.060 -0.642 376 HE1 TYR 48 HE1 TYR 48 -8.173 -2.107 -0.666 377 HE2 TYR 48 HE2 TYR 48 -9.895 -5.907 0.354 378 HH TYR 48 HH TYR 48 -10.940 -3.882 0.697 379 H ASP 49 H ASP 49 -5.915 -8.670 -3.541 380 HA ASP 49 HA ASP 49 -8.294 -8.824 -5.107 381 1HB ASP 49 2HB ASP 49 -6.918 -10.762 -3.207 382 2HB ASP 49 3HB ASP 49 -8.426 -11.159 -4.034 383 HA PRO 50 HA PRO 50 -10.516 -7.169 -1.598 384 1HB PRO 50 2HB PRO 50 -12.834 -6.361 -2.745 385 2HB PRO 50 3HB PRO 50 -11.257 -5.693 -3.240 386 1HG PRO 50 2HG PRO 50 -12.748 -7.985 -4.563 387 2HG PRO 50 3HG PRO 50 -12.156 -6.486 -5.343 388 1HD PRO 50 2HD PRO 50 -10.686 -8.787 -5.351 389 2HD PRO 50 3HD PRO 50 -9.907 -7.189 -5.181 390 H GLU 51 H GLU 51 -10.385 -9.900 -1.382 391 HA GLU 51 HA GLU 51 -13.069 -10.620 -0.307 392 1HB GLU 51 2HB GLU 51 -11.366 -12.555 -1.960 393 2HB GLU 51 3HB GLU 51 -12.956 -12.827 -1.241 394 1HG GLU 51 2HG GLU 51 -13.812 -10.947 -2.737 395 2HG GLU 51 3HG GLU 51 -12.243 -10.977 -3.558 396 H ILE 52 H ILE 52 -9.779 -11.978 -0.660 397 HA ILE 52 HA ILE 52 -9.953 -13.360 1.848 398 HB ILE 52 HB ILE 52 -7.586 -13.928 1.382 399 1HG1 ILE 52 2HG1 ILE 52 -7.919 -12.529 -1.305 400 2HG1 ILE 52 3HG1 ILE 52 -7.069 -11.800 0.063 401 1HG2 ILE 52 1HG2 ILE 52 -9.529 -15.284 0.597 402 2HG2 ILE 52 2HG2 ILE 52 -9.520 -14.394 -0.938 403 3HG2 ILE 52 3HG2 ILE 52 -8.149 -15.429 -0.491 404 1HD1 ILE 52 1HD1 ILE 52 -5.483 -12.865 -1.413 405 2HD1 ILE 52 2HD1 ILE 52 -5.504 -13.708 0.143 406 3HD1 ILE 52 3HD1 ILE 52 -6.305 -14.421 -1.280 407 H ILE 53 H ILE 53 -8.835 -10.187 1.110 408 HA ILE 53 HA ILE 53 -7.608 -9.869 3.804 409 HB ILE 53 HB ILE 53 -5.980 -10.640 1.996 410 1HG1 ILE 53 2HG1 ILE 53 -5.473 -7.939 3.247 411 2HG1 ILE 53 3HG1 ILE 53 -5.307 -9.529 4.046 412 1HG2 ILE 53 1HG2 ILE 53 -5.290 -9.160 0.244 413 2HG2 ILE 53 2HG2 ILE 53 -7.044 -9.251 0.140 414 3HG2 ILE 53 3HG2 ILE 53 -6.277 -7.832 0.889 415 1HD1 ILE 53 1HD1 ILE 53 -3.640 -10.179 2.302 416 2HD1 ILE 53 2HD1 ILE 53 -3.709 -8.498 1.704 417 3HD1 ILE 53 3HD1 ILE 53 -3.115 -8.829 3.342 418 H GLY 54 H GLY 54 -7.506 -7.592 4.496 419 1HA GLY 54 2HA GLY 54 -9.552 -5.924 3.059 420 2HA GLY 54 1HA GLY 54 -9.408 -6.151 4.810 421 HA PRO 55 HA PRO 55 -6.958 -2.361 3.425 422 1HB PRO 55 2HB PRO 55 -8.265 -0.540 5.027 423 2HB PRO 55 3HB PRO 55 -8.748 -0.934 3.355 424 1HG PRO 55 2HG PRO 55 -9.903 -2.055 5.915 425 2HG PRO 55 3HG PRO 55 -10.778 -1.427 4.491 426 1HD PRO 55 2HD PRO 55 -10.386 -4.083 4.836 427 2HD PRO 55 3HD PRO 55 -10.262 -3.359 3.209 428 H ARG 56 H ARG 56 -8.276 -3.438 6.578 429 HA ARG 56 HA ARG 56 -6.368 -2.317 8.254 430 1HB ARG 56 2HB ARG 56 -7.053 -3.916 9.926 431 2HB ARG 56 3HB ARG 56 -8.418 -3.266 9.028 432 1HG ARG 56 2HG ARG 56 -9.090 -5.430 8.948 433 2HG ARG 56 3HG ARG 56 -8.019 -5.508 7.551 434 1HD ARG 56 2HD ARG 56 -6.180 -6.125 9.369 435 2HD ARG 56 3HD ARG 56 -7.568 -6.449 10.401 436 HE ARG 56 HE ARG 56 -7.180 -7.641 7.653 437 1HH1 ARG 56 2HH2 ARG 56 -8.019 -8.308 11.019 438 2HH1 ARG 56 1HH2 ARG 56 -7.734 -10.017 10.895 439 1HH2 ARG 56 2HH1 ARG 56 -6.473 -9.768 7.594 440 2HH2 ARG 56 1HH1 ARG 56 -7.023 -10.924 8.784 441 H ASP 57 H ASP 57 -6.110 -5.522 6.521 442 HA ASP 57 HA ASP 57 -3.708 -6.369 7.660 443 1HB ASP 57 2HB ASP 57 -4.571 -6.648 4.756 444 2HB ASP 57 3HB ASP 57 -3.473 -7.716 5.644 445 H ILE 58 H ILE 58 -4.259 -4.414 4.729 446 HA ILE 58 HA ILE 58 -1.534 -3.990 4.016 447 HB ILE 58 HB ILE 58 -3.934 -2.182 3.552 448 1HG1 ILE 58 2HG1 ILE 58 -2.733 -4.180 1.594 449 2HG1 ILE 58 3HG1 ILE 58 -4.063 -4.622 2.670 450 1HG2 ILE 58 1HG2 ILE 58 -1.243 -2.289 2.115 451 2HG2 ILE 58 2HG2 ILE 58 -2.606 -1.235 1.687 452 3HG2 ILE 58 3HG2 ILE 58 -1.774 -0.993 3.203 453 1HD1 ILE 58 1HD1 ILE 58 -5.421 -2.755 1.858 454 2HD1 ILE 58 2HD1 ILE 58 -4.168 -2.328 0.691 455 3HD1 ILE 58 3HD1 ILE 58 -4.977 -3.912 0.580 456 H ILE 59 H ILE 59 -3.849 -2.033 5.953 457 HA ILE 59 HA ILE 59 -2.148 0.081 6.449 458 HB ILE 59 HB ILE 59 -4.509 -1.053 7.896 459 1HG1 ILE 59 2HG1 ILE 59 -4.091 1.760 6.813 460 2HG1 ILE 59 3HG1 ILE 59 -4.482 0.414 5.737 461 1HG2 ILE 59 1HG2 ILE 59 -4.485 0.905 9.478 462 2HG2 ILE 59 2HG2 ILE 59 -3.231 -0.281 9.793 463 3HG2 ILE 59 3HG2 ILE 59 -2.821 1.235 8.975 464 1HD1 ILE 59 1HD1 ILE 59 -6.170 1.339 8.089 465 2HD1 ILE 59 2HD1 ILE 59 -6.495 1.592 6.369 466 3HD1 ILE 59 3HD1 ILE 59 -6.519 -0.057 7.040 467 H HIS 60 H HIS 60 -2.558 -2.916 8.386 468 HA HIS 60 HA HIS 60 -0.607 -2.114 10.353 469 1HB HIS 60 2HB HIS 60 -1.753 -4.841 9.706 470 2HB HIS 60 3HB HIS 60 -0.777 -4.443 11.132 471 HD1 HIS 60 1HD HIS 60 -2.178 -1.608 11.829 472 HD2 HIS 60 2HD HIS 60 -4.126 -5.220 10.821 473 HE1 HIS 60 1HE HIS 60 -4.566 -1.439 12.712 474 H THR 61 H THR 61 -0.429 -3.878 7.323 475 HA THR 61 HA THR 61 2.310 -4.711 7.562 476 HB THR 61 HB THR 61 0.630 -4.009 5.134 477 HG1 THR 61 1HG THR 61 -0.208 -5.689 6.310 478 1HG2 THR 61 1HG2 THR 61 3.034 -4.025 4.504 479 2HG2 THR 61 2HG2 THR 61 3.243 -5.583 5.342 480 3HG2 THR 61 3HG2 THR 61 2.221 -5.481 3.897 481 H ILE 62 H ILE 62 0.861 -1.685 6.191 482 HA ILE 62 HA ILE 62 3.410 -0.546 5.536 483 HB ILE 62 HB ILE 62 0.673 0.689 5.874 484 1HG1 ILE 62 2HG1 ILE 62 0.975 -1.052 4.012 485 2HG1 ILE 62 3HG1 ILE 62 0.369 0.536 3.557 486 1HG2 ILE 62 1HG2 ILE 62 2.291 2.461 6.109 487 2HG2 ILE 62 2HG2 ILE 62 3.237 1.852 4.736 488 3HG2 ILE 62 3HG2 ILE 62 1.625 2.555 4.480 489 1HD1 ILE 62 1HD1 ILE 62 2.529 1.165 2.622 490 2HD1 ILE 62 2HD1 ILE 62 3.268 -0.334 3.233 491 3HD1 ILE 62 3HD1 ILE 62 2.026 -0.395 1.969 492 H GLU 63 H GLU 63 1.266 -0.193 8.393 493 HA GLU 63 HA GLU 63 2.791 1.651 9.895 494 1HB GLU 63 2HB GLU 63 1.125 -0.749 10.732 495 2HB GLU 63 3HB GLU 63 1.813 0.397 11.880 496 1HG GLU 63 2HG GLU 63 0.549 2.233 11.001 497 2HG GLU 63 3HG GLU 63 -0.024 1.301 9.625 498 H SER 64 H SER 64 3.024 -1.950 9.788 499 HA SER 64 HA SER 64 5.315 -2.201 11.402 500 1HB SER 64 2HB SER 64 3.821 -4.046 10.650 501 2HB SER 64 3HB SER 64 4.560 -3.968 9.040 502 HG SER 64 HG SER 64 5.509 -5.541 10.464 503 H LEU 65 H LEU 65 5.117 -1.654 7.847 504 HA LEU 65 HA LEU 65 7.988 -1.541 7.508 505 1HB LEU 65 2HB LEU 65 5.752 -0.420 5.790 506 2HB LEU 65 3HB LEU 65 7.442 -0.479 5.309 507 HG LEU 65 HG LEU 65 5.722 -2.906 5.929 508 1HD1 LEU 65 1HD1 LEU 65 6.802 -1.829 3.301 509 2HD1 LEU 65 2HD1 LEU 65 5.840 -3.310 3.511 510 3HD1 LEU 65 3HD1 LEU 65 5.112 -1.729 3.840 511 1HD2 LEU 65 1HD2 LEU 65 8.042 -3.462 6.450 512 2HD2 LEU 65 2HD2 LEU 65 7.610 -4.191 4.910 513 3HD2 LEU 65 3HD2 LEU 65 8.598 -2.717 4.931 514 H GLY 66 H GLY 66 5.921 0.688 9.051 515 1HA GLY 66 2HA GLY 66 6.767 2.357 10.364 516 2HA GLY 66 1HA GLY 66 8.234 2.456 9.389 517 H PHE 67 H PHE 67 4.917 2.592 8.008 518 HA PHE 67 HA PHE 67 5.187 5.565 7.704 519 1HB PHE 67 2HB PHE 67 4.244 3.697 5.523 520 2HB PHE 67 3HB PHE 67 4.506 5.427 5.398 521 HD1 PHE 67 1HD PHE 67 7.091 6.032 6.343 522 HD2 PHE 67 2HD PHE 67 5.844 2.406 4.370 523 HE1 PHE 67 1HE PHE 67 9.366 5.765 5.402 524 HE2 PHE 67 2HE PHE 67 8.127 2.136 3.449 525 HZ PHE 67 HZ PHE 67 9.872 3.859 3.921 526 H GLU 68 H GLU 68 3.077 6.610 7.151 527 HA GLU 68 HA GLU 68 0.975 5.405 8.836 528 1HB GLU 68 2HB GLU 68 1.355 8.213 7.830 529 2HB GLU 68 3HB GLU 68 0.245 7.648 9.069 530 1HG GLU 68 2HG GLU 68 2.102 7.217 10.594 531 2HG GLU 68 3HG GLU 68 3.301 7.493 9.316 532 HA PRO 69 HA PRO 69 -1.041 5.167 4.661 533 1HB PRO 69 2HB PRO 69 -2.551 2.954 5.016 534 2HB PRO 69 3HB PRO 69 -0.773 2.852 4.853 535 1HG PRO 69 2HG PRO 69 -2.361 2.832 7.411 536 2HG PRO 69 3HG PRO 69 -1.039 1.739 6.912 537 1HD PRO 69 2HD PRO 69 -0.678 3.900 8.540 538 2HD PRO 69 3HD PRO 69 0.569 3.293 7.416 539 H SER 70 H SER 70 -2.272 7.041 4.717 540 HA SER 70 HA SER 70 -4.746 7.107 6.367 541 1HB SER 70 2HB SER 70 -3.226 9.092 6.258 542 2HB SER 70 3HB SER 70 -3.532 9.183 4.512 543 HG SER 70 HG SER 70 -5.471 9.393 6.588 544 H LEU 71 H LEU 71 -6.550 6.273 5.408 545 HA LEU 71 HA LEU 71 -6.620 5.591 2.564 546 1HB LEU 71 2HB LEU 71 -8.904 5.656 4.573 547 2HB LEU 71 3HB LEU 71 -8.887 4.892 2.981 548 HG LEU 71 HG LEU 71 -7.333 4.051 5.461 549 1HD1 LEU 71 1HD1 LEU 71 -8.658 1.990 5.209 550 2HD1 LEU 71 2HD1 LEU 71 -9.720 3.402 5.329 551 3HD1 LEU 71 3HD1 LEU 71 -9.431 2.646 3.752 552 1HD2 LEU 71 1HD2 LEU 71 -5.790 3.683 3.674 553 2HD2 LEU 71 2HD2 LEU 71 -6.549 2.121 3.984 554 3HD2 LEU 71 3HD2 LEU 71 -7.065 3.089 2.587 555 H VAL 72 H VAL 72 -6.934 7.102 1.028 556 HA VAL 72 HA VAL 72 -9.026 9.165 1.505 557 HB VAL 72 HB VAL 72 -6.493 9.945 0.037 558 1HG1 VAL 72 1HG1 VAL 72 -7.250 12.224 0.612 559 2HG1 VAL 72 2HG1 VAL 72 -8.568 11.372 -0.213 560 3HG1 VAL 72 3HG1 VAL 72 -8.609 11.561 1.553 561 1HG2 VAL 72 1HG2 VAL 72 -5.659 9.386 2.268 562 2HG2 VAL 72 2HG2 VAL 72 -5.730 11.139 2.080 563 3HG2 VAL 72 3HG2 VAL 72 -6.983 10.310 3.028 564 H LYS 73 H LYS 73 -9.251 6.670 0.248 565 HA LYS 73 HA LYS 73 -10.706 7.729 -1.933 566 1HB LYS 73 2HB LYS 73 -8.896 5.301 -2.403 567 2HB LYS 73 3HB LYS 73 -10.256 5.732 -3.449 568 1HG LYS 73 2HG LYS 73 -7.827 7.492 -2.967 569 2HG LYS 73 3HG LYS 73 -8.005 6.388 -4.322 570 1HD LYS 73 2HD LYS 73 -9.674 7.562 -5.375 571 2HD LYS 73 3HD LYS 73 -10.160 8.474 -3.944 572 1HE LYS 73 2HE LYS 73 -7.380 8.790 -5.141 573 2HE LYS 73 3HE LYS 73 -8.754 9.695 -5.783 574 1HZ LYS 73 1HZ LYS 73 -9.095 10.719 -3.702 575 2HZ LYS 73 2HZ LYS 73 -8.047 9.749 -2.929 576 3HZ LYS 73 3HZ LYS 73 -7.474 10.862 -4.017 577 H ILE 74 H ILE 74 -12.617 6.506 -2.069 578 HA ILE 74 HA ILE 74 -14.389 5.482 -1.161 579 HB ILE 74 HB ILE 74 -12.582 3.799 0.627 580 1HG1 ILE 74 2HG1 ILE 74 -13.871 3.202 -2.071 581 2HG1 ILE 74 3HG1 ILE 74 -12.142 3.324 -1.739 582 1HG2 ILE 74 1HG2 ILE 74 -15.517 3.522 -0.087 583 2HG2 ILE 74 2HG2 ILE 74 -14.584 2.490 1.010 584 3HG2 ILE 74 3HG2 ILE 74 -14.906 4.154 1.446 585 1HD1 ILE 74 1HD1 ILE 74 -12.375 1.388 -0.132 586 2HD1 ILE 74 2HD1 ILE 74 -14.027 1.166 -0.751 587 3HD1 ILE 74 3HD1 ILE 74 -12.647 1.009 -1.845 588 H GLU 75 H GLU 75 -12.110 5.668 1.670 589 HA GLU 75 HA GLU 75 -13.571 7.838 2.937 590 1HB GLU 75 2HB GLU 75 -10.690 6.863 3.160 591 2HB GLU 75 3HB GLU 75 -11.456 8.064 4.199 592 1HG GLU 75 2HG GLU 75 -11.528 6.050 5.438 593 2HG GLU 75 3HG GLU 75 -13.176 6.288 4.848 Start of MODEL 9 1 1H MET 1 H1 MET 1 -16.737 -11.047 -7.544 2 2H MET 1 H2 MET 1 -18.069 -10.052 -7.736 3 3H MET 1 H3 MET 1 -17.019 -10.356 -8.989 4 HA MET 1 HA MET 1 -16.386 -8.259 -8.243 5 1HB MET 1 2HB MET 1 -16.387 -9.562 -5.480 6 2HB MET 1 3HB MET 1 -15.720 -7.963 -5.838 7 1HG MET 1 2HG MET 1 -17.954 -7.224 -6.660 8 2HG MET 1 3HG MET 1 -18.646 -8.759 -6.118 9 1HE MET 1 1HE MET 1 -17.094 -9.210 -3.284 10 2HE MET 1 2HE MET 1 -18.309 -8.467 -2.226 11 3HE MET 1 3HE MET 1 -18.831 -9.491 -3.583 12 H GLY 2 H GLY 2 -13.997 -7.717 -7.732 13 1HA GLY 2 2HA GLY 2 -12.036 -9.641 -7.201 14 2HA GLY 2 1HA GLY 2 -12.300 -9.585 -8.961 15 H ASP 3 H ASP 3 -9.893 -8.717 -8.229 16 HA ASP 3 HA ASP 3 -8.426 -6.996 -8.188 17 1HB ASP 3 2HB ASP 3 -9.184 -7.390 -10.531 18 2HB ASP 3 3HB ASP 3 -10.312 -6.029 -10.367 19 H GLY 4 H GLY 4 -9.300 -6.345 -5.958 20 1HA GLY 4 2HA GLY 4 -10.925 -3.902 -5.811 21 2HA GLY 4 1HA GLY 4 -10.126 -4.766 -4.482 22 H VAL 5 H VAL 5 -10.016 -1.828 -5.165 23 HA VAL 5 HA VAL 5 -7.071 -1.540 -5.470 24 HB VAL 5 HB VAL 5 -7.410 0.479 -6.761 25 1HG1 VAL 5 1HG1 VAL 5 -7.194 -1.727 -7.865 26 2HG1 VAL 5 2HG1 VAL 5 -8.958 -1.806 -8.055 27 3HG1 VAL 5 3HG1 VAL 5 -8.034 -0.522 -8.863 28 1HG2 VAL 5 1HG2 VAL 5 -9.603 1.266 -6.003 29 2HG2 VAL 5 2HG2 VAL 5 -9.615 1.047 -7.753 30 3HG2 VAL 5 3HG2 VAL 5 -10.397 -0.157 -6.713 31 H LEU 6 H LEU 6 -6.132 0.009 -4.099 32 HA LEU 6 HA LEU 6 -7.831 2.110 -3.164 33 1HB LEU 6 2HB LEU 6 -7.589 1.989 -0.824 34 2HB LEU 6 3HB LEU 6 -8.446 0.571 -1.401 35 HG LEU 6 HG LEU 6 -5.525 0.626 -0.506 36 1HD1 LEU 6 1HD1 LEU 6 -7.112 1.054 1.326 37 2HD1 LEU 6 2HD1 LEU 6 -8.081 -0.347 0.834 38 3HD1 LEU 6 3HD1 LEU 6 -6.446 -0.581 1.483 39 1HD2 LEU 6 1HD2 LEU 6 -7.372 -1.690 -1.183 40 2HD2 LEU 6 2HD2 LEU 6 -5.909 -1.236 -2.083 41 3HD2 LEU 6 3HD2 LEU 6 -5.774 -1.854 -0.434 42 H GLU 7 H GLU 7 -6.760 3.885 -3.457 43 HA GLU 7 HA GLU 7 -3.925 4.204 -3.300 44 1HB GLU 7 2HB GLU 7 -6.284 6.129 -3.423 45 2HB GLU 7 3HB GLU 7 -4.598 6.636 -3.448 46 1HG GLU 7 2HG GLU 7 -5.334 6.530 -5.734 47 2HG GLU 7 3HG GLU 7 -4.246 5.134 -5.470 48 H LEU 8 H LEU 8 -3.088 3.668 -1.324 49 HA LEU 8 HA LEU 8 -4.099 5.054 1.129 50 1HB LEU 8 2HB LEU 8 -2.016 2.894 0.702 51 2HB LEU 8 3HB LEU 8 -2.389 3.630 2.266 52 HG LEU 8 HG LEU 8 -4.702 2.554 0.694 53 1HD1 LEU 8 1HD1 LEU 8 -3.074 0.747 0.419 54 2HD1 LEU 8 2HD1 LEU 8 -2.670 0.810 2.151 55 3HD1 LEU 8 3HD1 LEU 8 -4.281 0.273 1.626 56 1HD2 LEU 8 1HD2 LEU 8 -4.983 3.645 2.924 57 2HD2 LEU 8 2HD2 LEU 8 -5.563 1.967 2.880 58 3HD2 LEU 8 3HD2 LEU 8 -4.031 2.344 3.648 59 H VAL 9 H VAL 9 -3.302 7.042 1.417 60 HA VAL 9 HA VAL 9 -0.856 7.954 0.067 61 HB VAL 9 HB VAL 9 -2.813 9.328 1.904 62 1HG1 VAL 9 1HG1 VAL 9 -0.277 10.459 0.638 63 2HG1 VAL 9 2HG1 VAL 9 -1.554 11.405 1.423 64 3HG1 VAL 9 3HG1 VAL 9 -0.579 10.286 2.380 65 1HG2 VAL 9 1HG2 VAL 9 -3.323 10.598 -0.104 66 2HG2 VAL 9 2HG2 VAL 9 -2.012 9.819 -0.996 67 3HG2 VAL 9 3HG2 VAL 9 -3.426 8.868 -0.515 68 H VAL 10 H VAL 10 0.901 6.965 0.821 69 HA VAL 10 HA VAL 10 1.190 6.071 3.606 70 HB VAL 10 HB VAL 10 3.360 5.185 2.657 71 1HG1 VAL 10 1HG1 VAL 10 2.246 3.258 1.598 72 2HG1 VAL 10 2HG1 VAL 10 1.373 3.804 3.039 73 3HG1 VAL 10 3HG1 VAL 10 0.751 4.200 1.426 74 1HG2 VAL 10 1HG2 VAL 10 3.620 4.896 0.293 75 2HG2 VAL 10 2HG2 VAL 10 2.081 5.661 -0.066 76 3HG2 VAL 10 3HG2 VAL 10 3.427 6.636 0.563 77 H ARG 11 H ARG 11 0.952 8.269 4.338 78 HA ARG 11 HA ARG 11 3.019 10.182 3.645 79 1HB ARG 11 2HB ARG 11 2.069 11.605 5.351 80 2HB ARG 11 3HB ARG 11 0.762 10.875 4.403 81 1HG ARG 11 2HG ARG 11 0.464 9.170 6.197 82 2HG ARG 11 3HG ARG 11 1.745 9.979 7.137 83 1HD ARG 11 2HD ARG 11 0.307 12.034 7.146 84 2HD ARG 11 3HD ARG 11 -0.999 11.070 6.444 85 HE ARG 11 HE ARG 11 0.454 10.458 9.031 86 1HH1 ARG 11 2HH2 ARG 11 -2.481 9.806 7.234 87 2HH1 ARG 11 1HH2 ARG 11 -3.541 9.856 8.607 88 1HH2 ARG 11 2HH1 ARG 11 -0.789 9.757 10.815 89 2HH2 ARG 11 1HH1 ARG 11 -2.516 9.687 10.726 90 H GLY 12 H GLY 12 4.795 10.808 4.878 91 1HA GLY 12 2HA GLY 12 6.325 10.579 6.701 92 2HA GLY 12 1HA GLY 12 5.756 8.937 7.005 93 H MET 13 H MET 13 5.794 8.476 3.807 94 HA MET 13 HA MET 13 8.570 7.520 4.006 95 1HB MET 13 2HB MET 13 7.875 5.747 2.794 96 2HB MET 13 3HB MET 13 6.397 6.155 3.639 97 1HG MET 13 2HG MET 13 5.639 5.759 1.557 98 2HG MET 13 3HG MET 13 5.786 7.512 1.526 99 1HE MET 13 1HE MET 13 6.423 6.614 -2.101 100 2HE MET 13 2HE MET 13 5.334 5.804 -0.944 101 3HE MET 13 3HE MET 13 5.534 7.560 -0.863 102 H THR 14 H THR 14 10.163 8.340 2.764 103 HA THR 14 HA THR 14 9.469 10.751 1.200 104 HB THR 14 HB THR 14 11.856 11.314 2.031 105 HG1 THR 14 1HG THR 14 12.637 9.425 2.808 106 1HG2 THR 14 1HG2 THR 14 11.005 11.939 4.257 107 2HG2 THR 14 2HG2 THR 14 9.793 12.284 3.008 108 3HG2 THR 14 3HG2 THR 14 9.615 10.858 4.056 109 H CYS 15 H CYS 15 11.819 8.007 1.103 110 HA CYS 15 HA CYS 15 12.768 9.046 -1.544 111 1HB CYS 15 2HB CYS 15 14.928 7.802 -0.723 112 2HB CYS 15 3HB CYS 15 14.570 9.453 -0.245 113 H ALA 16 H ALA 16 13.805 7.456 -2.914 114 HA ALA 16 HA ALA 16 12.221 5.375 -3.775 115 1HB ALA 16 1HB ALA 16 15.254 5.572 -3.938 116 2HB ALA 16 2HB ALA 16 14.217 4.548 -4.954 117 3HB ALA 16 3HB ALA 16 14.088 6.316 -5.055 118 H SER 17 H SER 17 14.844 5.237 -1.361 119 HA SER 17 HA SER 17 15.094 2.632 -0.662 120 1HB SER 17 2HB SER 17 14.746 4.963 1.256 121 2HB SER 17 3HB SER 17 15.723 3.498 1.490 122 HG SER 17 HG SER 17 17.001 4.187 -0.294 123 H CYS 18 H CYS 18 12.421 4.843 0.332 124 HA CYS 18 HA CYS 18 11.092 2.833 1.957 125 1HB CYS 18 2HB CYS 18 10.108 5.497 0.881 126 2HB CYS 18 3HB CYS 18 9.342 4.455 2.079 127 H VAL 19 H VAL 19 10.796 4.203 -1.332 128 HA VAL 19 HA VAL 19 8.204 3.260 -1.945 129 HB VAL 19 HB VAL 19 10.586 3.602 -3.830 130 1HG1 VAL 19 1HG1 VAL 19 7.621 3.732 -4.466 131 2HG1 VAL 19 2HG1 VAL 19 8.960 3.935 -5.600 132 3HG1 VAL 19 3HG1 VAL 19 8.666 2.352 -4.870 133 1HG2 VAL 19 1HG2 VAL 19 9.631 5.843 -4.245 134 2HG2 VAL 19 2HG2 VAL 19 8.427 5.559 -2.964 135 3HG2 VAL 19 3HG2 VAL 19 10.152 5.653 -2.567 136 H HIS 20 H HIS 20 11.425 1.786 -2.666 137 HA HIS 20 HA HIS 20 10.186 -0.623 -3.587 138 1HB HIS 20 2HB HIS 20 12.409 -1.464 -3.804 139 2HB HIS 20 3HB HIS 20 12.148 0.112 -4.554 140 HD1 HIS 20 1HD HIS 20 14.580 0.902 -4.652 141 HD2 HIS 20 2HD HIS 20 13.373 -0.515 -0.891 142 HE1 HIS 20 1HE HIS 20 16.581 1.179 -3.092 143 H LYS 21 H LYS 21 11.286 0.401 -0.307 144 HA LYS 21 HA LYS 21 11.085 -2.035 1.003 145 1HB LYS 21 2HB LYS 21 11.427 0.534 1.785 146 2HB LYS 21 3HB LYS 21 9.707 0.388 2.158 147 1HG LYS 21 2HG LYS 21 10.330 -1.693 3.468 148 2HG LYS 21 3HG LYS 21 12.028 -1.210 3.193 149 1HD LYS 21 2HD LYS 21 11.515 1.037 4.194 150 2HD LYS 21 3HD LYS 21 9.847 0.509 4.488 151 1HE LYS 21 2HE LYS 21 10.678 -1.253 6.044 152 2HE LYS 21 3HE LYS 21 12.332 -0.663 5.794 153 1HZ LYS 21 1HZ LYS 21 10.090 0.855 7.011 154 2HZ LYS 21 2HZ LYS 21 11.405 0.277 7.772 155 3HZ LYS 21 3HZ LYS 21 11.569 1.493 6.679 156 H ILE 22 H ILE 22 8.463 0.321 0.133 157 HA ILE 22 HA ILE 22 6.363 -1.307 1.124 158 HB ILE 22 HB ILE 22 6.154 0.738 -1.104 159 1HG1 ILE 22 2HG1 ILE 22 6.755 1.023 1.758 160 2HG1 ILE 22 3HG1 ILE 22 7.007 2.101 0.372 161 1HG2 ILE 22 1HG2 ILE 22 4.095 -0.320 0.878 162 2HG2 ILE 22 2HG2 ILE 22 3.810 0.923 -0.366 163 3HG2 ILE 22 3HG2 ILE 22 4.180 -0.724 -0.850 164 1HD1 ILE 22 1HD1 ILE 22 4.454 1.790 1.980 165 2HD1 ILE 22 2HD1 ILE 22 5.601 3.143 2.018 166 3HD1 ILE 22 3HD1 ILE 22 4.660 2.839 0.553 167 H GLU 23 H GLU 23 7.388 -0.856 -2.351 168 HA GLU 23 HA GLU 23 5.547 -2.788 -3.262 169 1HB GLU 23 2HB GLU 23 8.176 -2.029 -4.603 170 2HB GLU 23 3HB GLU 23 6.788 -2.854 -5.344 171 1HG GLU 23 2HG GLU 23 5.407 -0.811 -4.447 172 2HG GLU 23 3HG GLU 23 7.011 -0.027 -4.344 173 H SER 24 H SER 24 9.088 -3.358 -2.589 174 HA SER 24 HA SER 24 8.928 -6.114 -3.227 175 1HB SER 24 2HB SER 24 10.833 -4.734 -1.294 176 2HB SER 24 3HB SER 24 11.066 -6.304 -2.088 177 HG SER 24 HG SER 24 10.802 -5.061 -4.120 178 H SER 25 H SER 25 8.273 -4.395 -0.094 179 HA SER 25 HA SER 25 8.123 -6.906 1.346 180 1HB SER 25 2HB SER 25 8.606 -4.690 2.401 181 2HB SER 25 3HB SER 25 6.910 -4.242 2.121 182 HG SER 25 HG SER 25 7.980 -6.323 3.735 183 H LEU 26 H LEU 26 5.660 -4.757 -0.157 184 HA LEU 26 HA LEU 26 3.441 -6.375 0.758 185 1HB LEU 26 2HB LEU 26 3.769 -3.976 -1.039 186 2HB LEU 26 3HB LEU 26 2.326 -4.949 -1.177 187 HG LEU 26 HG LEU 26 1.804 -4.712 1.189 188 1HD1 LEU 26 1HD1 LEU 26 4.239 -2.880 1.345 189 2HD1 LEU 26 2HD1 LEU 26 3.013 -3.083 2.609 190 3HD1 LEU 26 3HD1 LEU 26 4.053 -4.440 2.178 191 1HD2 LEU 26 1HD2 LEU 26 2.348 -2.022 -0.128 192 2HD2 LEU 26 2HD2 LEU 26 0.975 -3.077 -0.489 193 3HD2 LEU 26 3HD2 LEU 26 1.140 -2.379 1.125 194 H THR 27 H THR 27 4.823 -5.837 -2.527 195 HA THR 27 HA THR 27 3.131 -7.771 -3.763 196 HB THR 27 HB THR 27 5.635 -6.470 -4.882 197 HG1 THR 27 1HG THR 27 2.973 -5.497 -4.635 198 1HG2 THR 27 1HG2 THR 27 3.022 -7.408 -6.175 199 2HG2 THR 27 2HG2 THR 27 4.358 -6.575 -6.999 200 3HG2 THR 27 3HG2 THR 27 4.606 -8.199 -6.335 201 H LYS 28 H LYS 28 3.570 -9.372 -2.311 202 HA LYS 28 HA LYS 28 5.005 -11.585 -3.260 203 1HB LYS 28 2HB LYS 28 6.723 -11.969 -1.642 204 2HB LYS 28 3HB LYS 28 7.009 -10.412 -2.389 205 1HG LYS 28 2HG LYS 28 7.348 -9.726 -0.278 206 2HG LYS 28 3HG LYS 28 5.593 -9.563 -0.260 207 1HD LYS 28 2HD LYS 28 5.475 -11.932 0.743 208 2HD LYS 28 3HD LYS 28 7.232 -11.993 0.655 209 1HE LYS 28 2HE LYS 28 6.579 -11.506 2.927 210 2HE LYS 28 3HE LYS 28 7.425 -10.110 2.242 211 1HZ LYS 28 1HZ LYS 28 4.490 -10.348 2.452 212 2HZ LYS 28 2HZ LYS 28 5.453 -9.490 3.478 213 3HZ LYS 28 3HZ LYS 28 5.341 -9.040 1.913 214 H HIS 29 H HIS 29 3.309 -9.931 -0.496 215 HA HIS 29 HA HIS 29 2.447 -12.442 0.629 216 1HB HIS 29 2HB HIS 29 1.124 -11.324 2.058 217 2HB HIS 29 3HB HIS 29 2.415 -10.157 1.796 218 HD1 HIS 29 1HD HIS 29 -1.234 -10.838 0.639 219 HD2 HIS 29 2HD HIS 29 1.565 -7.744 1.271 220 HE1 HIS 29 1HE HIS 29 -2.482 -8.630 0.340 221 H ARG 30 H ARG 30 1.094 -13.846 -0.363 222 HA ARG 30 HA ARG 30 -0.369 -13.341 -2.748 223 1HB ARG 30 2HB ARG 30 0.290 -15.539 -1.615 224 2HB ARG 30 3HB ARG 30 -1.111 -15.355 -0.568 225 1HG ARG 30 2HG ARG 30 -1.402 -15.293 -3.622 226 2HG ARG 30 3HG ARG 30 -1.073 -16.797 -2.781 227 1HD ARG 30 2HD ARG 30 -3.303 -16.957 -2.881 228 2HD ARG 30 3HD ARG 30 -3.126 -16.232 -1.275 229 HE ARG 30 HE ARG 30 -3.466 -14.185 -3.286 230 1HH1 ARG 30 2HH2 ARG 30 -5.383 -16.783 -1.697 231 2HH1 ARG 30 1HH2 ARG 30 -6.878 -15.876 -1.999 232 1HH2 ARG 30 2HH1 ARG 30 -5.551 -13.192 -3.666 233 2HH2 ARG 30 1HH1 ARG 30 -6.958 -14.020 -2.972 234 H GLY 31 H GLY 31 -2.368 -12.317 -3.029 235 1HA GLY 31 2HA GLY 31 -4.591 -11.767 -1.968 236 2HA GLY 31 1HA GLY 31 -3.682 -11.178 -0.580 237 H ILE 32 H ILE 32 -1.414 -9.995 -2.042 238 HA ILE 32 HA ILE 32 -2.807 -7.732 -3.342 239 HB ILE 32 HB ILE 32 -0.306 -7.987 -1.917 240 1HG1 ILE 32 2HG1 ILE 32 -1.712 -5.632 -3.276 241 2HG1 ILE 32 3HG1 ILE 32 -2.162 -6.312 -1.706 242 1HG2 ILE 32 1HG2 ILE 32 1.157 -6.700 -3.389 243 2HG2 ILE 32 2HG2 ILE 32 0.812 -8.279 -4.086 244 3HG2 ILE 32 3HG2 ILE 32 -0.008 -6.827 -4.713 245 1HD1 ILE 32 1HD1 ILE 32 0.228 -5.819 -0.941 246 2HD1 ILE 32 2HD1 ILE 32 0.378 -4.832 -2.426 247 3HD1 ILE 32 3HD1 ILE 32 -0.840 -4.437 -1.208 248 H LEU 33 H LEU 33 -3.000 -7.613 -5.461 249 HA LEU 33 HA LEU 33 -1.668 -9.702 -7.127 250 1HB LEU 33 2HB LEU 33 -3.286 -9.399 -8.758 251 2HB LEU 33 3HB LEU 33 -4.115 -9.543 -7.221 252 HG LEU 33 HG LEU 33 -3.822 -6.797 -7.427 253 1HD1 LEU 33 1HD1 LEU 33 -4.471 -6.144 -9.692 254 2HD1 LEU 33 2HD1 LEU 33 -2.937 -7.026 -9.757 255 3HD1 LEU 33 3HD1 LEU 33 -4.447 -7.834 -10.221 256 1HD2 LEU 33 1HD2 LEU 33 -6.175 -6.724 -7.873 257 2HD2 LEU 33 2HD2 LEU 33 -6.169 -8.399 -8.484 258 3HD2 LEU 33 3HD2 LEU 33 -5.845 -8.066 -6.769 259 H TYR 34 H TYR 34 -1.833 -6.151 -6.434 260 HA TYR 34 HA TYR 34 0.805 -6.042 -7.536 261 1HB TYR 34 2HB TYR 34 -0.889 -5.668 -9.544 262 2HB TYR 34 3HB TYR 34 -1.141 -4.091 -8.813 263 HD1 TYR 34 HD1 TYR 34 0.091 -2.408 -9.936 264 HD2 TYR 34 HD2 TYR 34 1.730 -6.390 -9.691 265 HE1 TYR 34 HE1 TYR 34 2.046 -1.692 -11.267 266 HE2 TYR 34 HE2 TYR 34 3.728 -5.639 -10.950 267 HH TYR 34 HH TYR 34 4.146 -2.265 -12.029 268 H CYS 35 H CYS 35 1.762 -3.821 -7.221 269 HA CYS 35 HA CYS 35 0.261 -2.019 -5.462 270 1HB CYS 35 2HB CYS 35 1.835 -3.120 -3.852 271 2HB CYS 35 3HB CYS 35 3.177 -2.799 -4.980 272 HG CYS 35 HG CYS 35 3.437 -1.133 -3.121 273 H SER 36 H SER 36 0.755 0.150 -6.108 274 HA SER 36 HA SER 36 3.198 0.533 -7.747 275 1HB SER 36 2HB SER 36 0.518 1.710 -8.573 276 2HB SER 36 3HB SER 36 2.097 1.952 -9.353 277 HG SER 36 HG SER 36 1.825 -0.631 -9.166 278 H VAL 37 H VAL 37 4.299 1.640 -6.158 279 HA VAL 37 HA VAL 37 2.836 3.894 -4.868 280 HB VAL 37 HB VAL 37 3.378 2.031 -3.380 281 1HG1 VAL 37 1HG1 VAL 37 6.247 2.552 -3.101 282 2HG1 VAL 37 2HG1 VAL 37 5.345 1.044 -3.193 283 3HG1 VAL 37 3HG1 VAL 37 5.849 1.886 -4.682 284 1HG2 VAL 37 1HG2 VAL 37 3.289 4.315 -2.444 285 2HG2 VAL 37 2HG2 VAL 37 4.429 3.259 -1.605 286 3HG2 VAL 37 3HG2 VAL 37 5.028 4.491 -2.742 287 H ALA 38 H ALA 38 3.636 5.883 -4.679 288 HA ALA 38 HA ALA 38 6.340 6.406 -5.796 289 1HB ALA 38 1HB ALA 38 4.889 6.618 -7.735 290 2HB ALA 38 2HB ALA 38 3.800 7.704 -6.845 291 3HB ALA 38 3HB ALA 38 5.465 8.219 -7.221 292 H LEU 39 H LEU 39 7.366 8.062 -4.920 293 HA LEU 39 HA LEU 39 6.394 9.072 -2.400 294 1HB LEU 39 2HB LEU 39 8.562 9.958 -2.079 295 2HB LEU 39 3HB LEU 39 8.678 8.338 -2.751 296 HG LEU 39 HG LEU 39 8.840 9.754 -5.079 297 1HD1 LEU 39 1HD1 LEU 39 8.704 11.984 -3.886 298 2HD1 LEU 39 2HD1 LEU 39 10.148 11.543 -2.970 299 3HD1 LEU 39 3HD1 LEU 39 10.241 11.749 -4.728 300 1HD2 LEU 39 1HD2 LEU 39 11.104 9.211 -3.131 301 2HD2 LEU 39 2HD2 LEU 39 10.445 8.075 -4.320 302 3HD2 LEU 39 3HD2 LEU 39 11.299 9.527 -4.868 303 H ALA 40 H ALA 40 6.729 10.455 -5.647 304 HA ALA 40 HA ALA 40 6.539 13.171 -5.064 305 1HB ALA 40 1HB ALA 40 6.951 12.255 -7.313 306 2HB ALA 40 2HB ALA 40 5.273 11.665 -7.394 307 3HB ALA 40 3HB ALA 40 5.603 13.409 -7.332 308 H THR 41 H THR 41 3.985 10.758 -5.051 309 HA THR 41 HA THR 41 1.917 12.774 -4.245 310 HB THR 41 HB THR 41 1.370 11.654 -6.220 311 HG1 THR 41 1HG THR 41 -0.004 10.870 -3.928 312 1HG2 THR 41 1HG2 THR 41 2.739 9.742 -6.364 313 2HG2 THR 41 2HG2 THR 41 2.082 9.037 -4.874 314 3HG2 THR 41 3HG2 THR 41 1.084 9.142 -6.341 315 H ASN 42 H ASN 42 4.130 10.952 -2.852 316 HA ASN 42 HA ASN 42 4.381 9.377 -1.225 317 1HB ASN 42 2HB ASN 42 2.568 11.323 0.226 318 2HB ASN 42 3HB ASN 42 3.645 10.147 0.991 319 1HD2 ASN 42 1HD2 ASN 42 6.099 10.483 0.795 320 2HD2 ASN 42 2HD2 ASN 42 6.605 12.096 0.376 321 H LYS 43 H LYS 43 2.761 8.105 -2.888 322 HA LYS 43 HA LYS 43 0.542 7.030 -1.236 323 1HB LYS 43 2HB LYS 43 -0.381 8.963 -2.349 324 2HB LYS 43 3HB LYS 43 0.154 8.382 -3.925 325 1HG LYS 43 2HG LYS 43 -1.624 6.588 -2.287 326 2HG LYS 43 3HG LYS 43 -2.346 8.040 -2.946 327 1HD LYS 43 2HD LYS 43 -0.773 6.112 -4.720 328 2HD LYS 43 3HD LYS 43 -2.477 5.893 -4.335 329 1HE LYS 43 2HE LYS 43 -2.866 8.298 -5.189 330 2HE LYS 43 3HE LYS 43 -1.203 8.272 -5.774 331 1HZ LYS 43 1HZ LYS 43 -2.719 7.672 -7.490 332 2HZ LYS 43 2HZ LYS 43 -1.810 6.351 -7.127 333 3HZ LYS 43 3HZ LYS 43 -3.370 6.454 -6.610 334 H ALA 44 H ALA 44 -0.022 5.052 -1.531 335 HA ALA 44 HA ALA 44 1.261 3.371 -3.635 336 1HB ALA 44 1HB ALA 44 0.258 2.552 -0.888 337 2HB ALA 44 2HB ALA 44 1.208 1.598 -2.057 338 3HB ALA 44 3HB ALA 44 1.947 2.960 -1.207 339 H HIS 45 H HIS 45 -0.141 2.767 -5.208 340 HA HIS 45 HA HIS 45 -3.030 2.538 -4.647 341 1HB HIS 45 2HB HIS 45 -2.347 3.707 -6.634 342 2HB HIS 45 3HB HIS 45 -1.153 2.472 -7.033 343 HD1 HIS 45 1HD HIS 45 -2.579 2.858 -9.375 344 HD2 HIS 45 2HD HIS 45 -4.033 0.372 -6.309 345 HE1 HIS 45 1HE HIS 45 -4.044 1.150 -10.469 346 H ILE 46 H ILE 46 -3.244 0.708 -3.400 347 HA ILE 46 HA ILE 46 -1.640 -1.739 -3.987 348 HB ILE 46 HB ILE 46 -3.517 -0.843 -1.786 349 1HG1 ILE 46 2HG1 ILE 46 -1.701 -1.693 -0.355 350 2HG1 ILE 46 3HG1 ILE 46 -0.812 -2.248 -1.784 351 1HG2 ILE 46 1HG2 ILE 46 -4.421 -3.049 -2.370 352 2HG2 ILE 46 2HG2 ILE 46 -2.786 -3.729 -2.414 353 3HG2 ILE 46 3HG2 ILE 46 -3.489 -3.163 -0.888 354 1HD1 ILE 46 1HD1 ILE 46 0.015 -0.112 -0.785 355 2HD1 ILE 46 2HD1 ILE 46 -0.393 -0.007 -2.504 356 3HD1 ILE 46 3HD1 ILE 46 -1.502 0.666 -1.284 357 H LYS 47 H LYS 47 -2.483 -3.421 -5.198 358 HA LYS 47 HA LYS 47 -5.369 -3.305 -5.911 359 1HB LYS 47 2HB LYS 47 -3.066 -4.506 -7.485 360 2HB LYS 47 3HB LYS 47 -4.790 -4.572 -7.871 361 1HG LYS 47 2HG LYS 47 -4.611 -1.924 -7.687 362 2HG LYS 47 3HG LYS 47 -2.887 -2.195 -7.924 363 1HD LYS 47 2HD LYS 47 -3.699 -1.967 -10.153 364 2HD LYS 47 3HD LYS 47 -3.664 -3.730 -9.931 365 1HE LYS 47 2HE LYS 47 -6.183 -3.274 -9.025 366 2HE LYS 47 3HE LYS 47 -6.017 -1.801 -9.997 367 1HZ LYS 47 1HZ LYS 47 -7.060 -3.563 -11.186 368 2HZ LYS 47 2HZ LYS 47 -5.548 -3.440 -11.881 369 3HZ LYS 47 3HZ LYS 47 -6.000 -4.630 -10.779 370 H TYR 48 H TYR 48 -6.469 -4.905 -4.884 371 HA TYR 48 HA TYR 48 -4.935 -7.206 -3.782 372 1HB TYR 48 2HB TYR 48 -5.896 -6.985 -1.690 373 2HB TYR 48 3HB TYR 48 -5.259 -5.406 -2.093 374 HD1 TYR 48 HD1 TYR 48 -8.158 -7.264 -1.017 375 HD2 TYR 48 HD2 TYR 48 -6.961 -3.621 -2.997 376 HE1 TYR 48 HE1 TYR 48 -10.313 -6.238 -0.422 377 HE2 TYR 48 HE2 TYR 48 -9.187 -2.637 -2.495 378 HH TYR 48 HH TYR 48 -11.692 -4.414 -0.675 379 H ASP 49 H ASP 49 -6.026 -9.087 -3.489 380 HA ASP 49 HA ASP 49 -8.322 -9.634 -5.177 381 1HB ASP 49 2HB ASP 49 -6.921 -11.379 -3.125 382 2HB ASP 49 3HB ASP 49 -8.022 -11.918 -4.406 383 HA PRO 50 HA PRO 50 -10.716 -8.321 -1.543 384 1HB PRO 50 2HB PRO 50 -13.220 -8.196 -2.574 385 2HB PRO 50 3HB PRO 50 -11.921 -7.094 -3.105 386 1HG PRO 50 2HG PRO 50 -12.800 -9.661 -4.458 387 2HG PRO 50 3HG PRO 50 -12.614 -8.039 -5.196 388 1HD PRO 50 2HD PRO 50 -10.631 -9.943 -5.293 389 2HD PRO 50 3HD PRO 50 -10.254 -8.200 -5.140 390 H GLU 51 H GLU 51 -9.885 -10.542 -0.835 391 HA GLU 51 HA GLU 51 -12.186 -12.083 0.163 392 1HB GLU 51 2HB GLU 51 -10.899 -14.241 -0.530 393 2HB GLU 51 3HB GLU 51 -11.942 -13.439 -1.690 394 1HG GLU 51 2HG GLU 51 -10.240 -12.688 -3.027 395 2HG GLU 51 3HG GLU 51 -9.027 -12.647 -1.753 396 H ILE 52 H ILE 52 -8.886 -13.320 0.106 397 HA ILE 52 HA ILE 52 -8.958 -13.744 2.879 398 HB ILE 52 HB ILE 52 -6.590 -14.351 2.683 399 1HG1 ILE 52 2HG1 ILE 52 -6.715 -13.741 -0.291 400 2HG1 ILE 52 3HG1 ILE 52 -6.034 -12.593 0.861 401 1HG2 ILE 52 1HG2 ILE 52 -8.330 -15.464 0.435 402 2HG2 ILE 52 2HG2 ILE 52 -6.967 -16.287 1.214 403 3HG2 ILE 52 3HG2 ILE 52 -8.425 -15.932 2.143 404 1HD1 ILE 52 1HD1 ILE 52 -5.006 -15.425 0.499 405 2HD1 ILE 52 2HD1 ILE 52 -4.260 -13.927 -0.088 406 3HD1 ILE 52 3HD1 ILE 52 -4.399 -14.218 1.651 407 H ILE 53 H ILE 53 -7.791 -10.940 1.160 408 HA ILE 53 HA ILE 53 -6.545 -9.838 3.643 409 HB ILE 53 HB ILE 53 -5.016 -10.363 1.727 410 1HG1 ILE 53 2HG1 ILE 53 -4.201 -7.815 1.519 411 2HG1 ILE 53 3HG1 ILE 53 -5.341 -7.580 2.831 412 1HG2 ILE 53 1HG2 ILE 53 -6.549 -9.889 -0.162 413 2HG2 ILE 53 2HG2 ILE 53 -6.463 -8.156 0.240 414 3HG2 ILE 53 3HG2 ILE 53 -5.017 -9.019 -0.274 415 1HD1 ILE 53 1HD1 ILE 53 -3.044 -9.594 2.749 416 2HD1 ILE 53 2HD1 ILE 53 -3.066 -8.074 3.662 417 3HD1 ILE 53 3HD1 ILE 53 -4.168 -9.401 4.110 418 H GLY 54 H GLY 54 -7.373 -7.855 4.425 419 1HA GLY 54 2HA GLY 54 -9.333 -6.417 2.693 420 2HA GLY 54 1HA GLY 54 -9.380 -6.574 4.460 421 HA PRO 55 HA PRO 55 -7.104 -2.635 3.067 422 1HB PRO 55 2HB PRO 55 -8.763 -0.894 4.457 423 2HB PRO 55 3HB PRO 55 -8.963 -1.361 2.748 424 1HG PRO 55 2HG PRO 55 -10.360 -2.554 5.146 425 2HG PRO 55 3HG PRO 55 -11.080 -2.035 3.593 426 1HD PRO 55 2HD PRO 55 -10.518 -4.627 4.024 427 2HD PRO 55 3HD PRO 55 -10.113 -3.908 2.437 428 H ARG 56 H ARG 56 -8.587 -3.685 6.183 429 HA ARG 56 HA ARG 56 -6.808 -2.293 7.915 430 1HB ARG 56 2HB ARG 56 -8.264 -4.950 8.275 431 2HB ARG 56 3HB ARG 56 -7.337 -4.119 9.537 432 1HG ARG 56 2HG ARG 56 -8.781 -2.092 9.232 433 2HG ARG 56 3HG ARG 56 -9.805 -3.027 8.116 434 1HD ARG 56 2HD ARG 56 -10.245 -4.678 9.908 435 2HD ARG 56 3HD ARG 56 -9.157 -3.780 11.000 436 HE ARG 56 HE ARG 56 -11.183 -2.029 10.009 437 1HH1 ARG 56 2HH2 ARG 56 -10.751 -4.720 12.230 438 2HH1 ARG 56 1HH2 ARG 56 -12.008 -4.251 13.333 439 1HH2 ARG 56 2HH1 ARG 56 -12.880 -1.350 11.441 440 2HH2 ARG 56 1HH1 ARG 56 -13.257 -2.279 12.855 441 H ASP 57 H ASP 57 -6.594 -5.695 6.629 442 HA ASP 57 HA ASP 57 -4.197 -6.364 7.871 443 1HB ASP 57 2HB ASP 57 -4.989 -7.247 5.079 444 2HB ASP 57 3HB ASP 57 -4.083 -8.159 6.297 445 H ILE 58 H ILE 58 -4.773 -4.973 4.631 446 HA ILE 58 HA ILE 58 -2.082 -4.622 3.845 447 HB ILE 58 HB ILE 58 -4.698 -3.234 3.201 448 1HG1 ILE 58 2HG1 ILE 58 -4.161 -5.531 2.338 449 2HG1 ILE 58 3HG1 ILE 58 -4.521 -4.326 1.097 450 1HG2 ILE 58 1HG2 ILE 58 -3.254 -1.387 2.950 451 2HG2 ILE 58 2HG2 ILE 58 -1.990 -2.345 2.165 452 3HG2 ILE 58 3HG2 ILE 58 -3.532 -2.030 1.329 453 1HD1 ILE 58 1HD1 ILE 58 -2.652 -5.675 0.408 454 2HD1 ILE 58 2HD1 ILE 58 -2.061 -4.030 0.721 455 3HD1 ILE 58 3HD1 ILE 58 -1.743 -5.324 1.882 456 H ILE 59 H ILE 59 -4.193 -2.298 5.554 457 HA ILE 59 HA ILE 59 -2.313 -0.241 5.777 458 HB ILE 59 HB ILE 59 -4.739 -1.075 7.322 459 1HG1 ILE 59 2HG1 ILE 59 -4.137 1.544 5.924 460 2HG1 ILE 59 3HG1 ILE 59 -4.690 0.111 5.050 461 1HG2 ILE 59 1HG2 ILE 59 -4.594 0.992 8.727 462 2HG2 ILE 59 2HG2 ILE 59 -3.409 -0.233 9.142 463 3HG2 ILE 59 3HG2 ILE 59 -2.913 1.185 8.208 464 1HD1 ILE 59 1HD1 ILE 59 -6.680 -0.010 6.539 465 2HD1 ILE 59 2HD1 ILE 59 -6.188 1.535 7.272 466 3HD1 ILE 59 3HD1 ILE 59 -6.598 1.466 5.549 467 H HIS 60 H HIS 60 -2.931 -2.982 8.029 468 HA HIS 60 HA HIS 60 -0.932 -2.142 9.906 469 1HB HIS 60 2HB HIS 60 -2.193 -4.864 9.481 470 2HB HIS 60 3HB HIS 60 -1.249 -4.367 10.896 471 HD1 HIS 60 1HD HIS 60 -2.586 -1.422 11.240 472 HD2 HIS 60 2HD HIS 60 -4.607 -5.068 10.558 473 HE1 HIS 60 1HE HIS 60 -4.991 -1.093 12.013 474 H THR 61 H THR 61 -0.881 -4.233 7.096 475 HA THR 61 HA THR 61 1.765 -5.285 7.409 476 HB THR 61 HB THR 61 0.105 -4.728 4.931 477 HG1 THR 61 1HG THR 61 -0.801 -6.204 6.331 478 1HG2 THR 61 1HG2 THR 61 1.539 -6.457 3.832 479 2HG2 THR 61 2HG2 THR 61 2.490 -5.023 4.262 480 3HG2 THR 61 3HG2 THR 61 2.586 -6.490 5.262 481 H ILE 62 H ILE 62 0.574 -2.240 5.824 482 HA ILE 62 HA ILE 62 3.279 -1.408 5.172 483 HB ILE 62 HB ILE 62 0.725 0.180 5.301 484 1HG1 ILE 62 2HG1 ILE 62 2.221 -0.789 2.838 485 2HG1 ILE 62 3HG1 ILE 62 0.914 -1.724 3.578 486 1HG2 ILE 62 1HG2 ILE 62 2.632 1.701 5.546 487 2HG2 ILE 62 2HG2 ILE 62 3.506 0.861 4.246 488 3HG2 ILE 62 3HG2 ILE 62 2.075 1.828 3.888 489 1HD1 ILE 62 1HD1 ILE 62 -0.038 -0.430 1.794 490 2HD1 ILE 62 2HD1 ILE 62 -0.616 0.215 3.340 491 3HD1 ILE 62 3HD1 ILE 62 0.645 1.073 2.424 492 H GLU 63 H GLU 63 1.043 -0.629 7.906 493 HA GLU 63 HA GLU 63 2.609 1.298 9.208 494 1HB GLU 63 2HB GLU 63 0.793 -0.853 10.339 495 2HB GLU 63 3HB GLU 63 1.495 0.435 11.313 496 1HG GLU 63 2HG GLU 63 0.398 2.163 10.058 497 2HG GLU 63 3HG GLU 63 -0.214 1.026 8.864 498 H SER 64 H SER 64 2.829 -2.270 9.375 499 HA SER 64 HA SER 64 4.918 -2.495 11.229 500 1HB SER 64 2HB SER 64 4.535 -4.191 8.729 501 2HB SER 64 3HB SER 64 5.432 -4.628 10.190 502 HG SER 64 HG SER 64 2.633 -4.087 10.033 503 H LEU 65 H LEU 65 5.134 -1.297 7.898 504 HA LEU 65 HA LEU 65 8.064 -1.513 7.803 505 1HB LEU 65 2HB LEU 65 6.257 0.013 5.916 506 2HB LEU 65 3HB LEU 65 7.900 -0.556 5.631 507 HG LEU 65 HG LEU 65 5.409 -2.282 5.927 508 1HD1 LEU 65 1HD1 LEU 65 5.737 -2.772 3.570 509 2HD1 LEU 65 2HD1 LEU 65 5.585 -1.023 3.801 510 3HD1 LEU 65 3HD1 LEU 65 7.187 -1.742 3.518 511 1HD2 LEU 65 1HD2 LEU 65 8.274 -3.148 5.337 512 2HD2 LEU 65 2HD2 LEU 65 7.385 -3.475 6.844 513 3HD2 LEU 65 3HD2 LEU 65 6.825 -4.179 5.335 514 H GLY 66 H GLY 66 5.768 0.676 9.133 515 1HA GLY 66 2HA GLY 66 6.268 2.429 10.503 516 2HA GLY 66 1HA GLY 66 7.906 2.535 9.855 517 H PHE 67 H PHE 67 4.694 2.686 8.154 518 HA PHE 67 HA PHE 67 5.073 5.581 7.653 519 1HB PHE 67 2HB PHE 67 4.113 3.705 5.485 520 2HB PHE 67 3HB PHE 67 4.630 5.380 5.334 521 HD1 PHE 67 1HD PHE 67 7.249 5.701 6.220 522 HD2 PHE 67 2HD PHE 67 5.543 2.090 4.587 523 HE1 PHE 67 1HE PHE 67 9.469 5.037 5.353 524 HE2 PHE 67 2HE PHE 67 7.764 1.432 3.733 525 HZ PHE 67 HZ PHE 67 9.710 2.954 4.022 526 H GLU 68 H GLU 68 2.867 6.565 7.077 527 HA GLU 68 HA GLU 68 0.727 5.076 8.511 528 1HB GLU 68 2HB GLU 68 1.211 7.957 7.838 529 2HB GLU 68 3HB GLU 68 -0.243 7.342 8.626 530 1HG GLU 68 2HG GLU 68 1.183 6.542 10.521 531 2HG GLU 68 3HG GLU 68 2.616 7.200 9.703 532 HA PRO 69 HA PRO 69 -0.584 4.769 4.060 533 1HB PRO 69 2HB PRO 69 -1.945 2.435 4.142 534 2HB PRO 69 3HB PRO 69 -0.174 2.498 4.274 535 1HG PRO 69 2HG PRO 69 -2.163 2.413 6.543 536 2HG PRO 69 3HG PRO 69 -0.821 1.279 6.250 537 1HD PRO 69 2HD PRO 69 -0.532 3.373 7.922 538 2HD PRO 69 3HD PRO 69 0.787 2.922 6.796 539 H SER 70 H SER 70 -1.738 6.711 4.385 540 HA SER 70 HA SER 70 -4.278 6.745 5.786 541 1HB SER 70 2HB SER 70 -2.932 8.900 4.110 542 2HB SER 70 3HB SER 70 -4.180 9.115 5.340 543 HG SER 70 HG SER 70 -1.561 8.020 5.782 544 H LEU 71 H LEU 71 -5.744 5.389 4.558 545 HA LEU 71 HA LEU 71 -6.361 5.490 1.897 546 1HB LEU 71 2HB LEU 71 -7.548 4.510 4.274 547 2HB LEU 71 3HB LEU 71 -8.815 5.499 3.562 548 HG LEU 71 HG LEU 71 -7.225 3.373 2.124 549 1HD1 LEU 71 1HD1 LEU 71 -10.039 3.248 3.297 550 2HD1 LEU 71 2HD1 LEU 71 -9.284 1.976 2.313 551 3HD1 LEU 71 3HD1 LEU 71 -8.608 2.383 3.901 552 1HD2 LEU 71 1HD2 LEU 71 -8.166 5.026 0.537 553 2HD2 LEU 71 2HD2 LEU 71 -9.076 3.515 0.420 554 3HD2 LEU 71 3HD2 LEU 71 -9.756 4.888 1.315 555 H VAL 72 H VAL 72 -6.342 7.366 0.724 556 HA VAL 72 HA VAL 72 -7.193 9.833 1.877 557 HB VAL 72 HB VAL 72 -5.390 9.604 0.314 558 1HG1 VAL 72 1HG1 VAL 72 -6.424 8.007 -1.339 559 2HG1 VAL 72 2HG1 VAL 72 -7.417 9.344 -1.947 560 3HG1 VAL 72 3HG1 VAL 72 -5.655 9.418 -2.080 561 1HG2 VAL 72 1HG2 VAL 72 -6.441 11.799 0.696 562 2HG2 VAL 72 2HG2 VAL 72 -5.781 11.669 -0.944 563 3HG2 VAL 72 3HG2 VAL 72 -7.529 11.527 -0.682 564 H LYS 73 H LYS 73 -8.722 7.727 -0.550 565 HA LYS 73 HA LYS 73 -10.805 7.676 -1.429 566 1HB LYS 73 2HB LYS 73 -11.263 8.130 1.268 567 2HB LYS 73 3HB LYS 73 -12.073 9.510 0.563 568 1HG LYS 73 2HG LYS 73 -13.748 7.945 0.669 569 2HG LYS 73 3HG LYS 73 -13.226 7.677 -1.005 570 1HD LYS 73 2HD LYS 73 -11.684 5.842 -0.054 571 2HD LYS 73 3HD LYS 73 -12.476 6.096 1.503 572 1HE LYS 73 2HE LYS 73 -13.680 4.980 -1.065 573 2HE LYS 73 3HE LYS 73 -13.505 4.195 0.510 574 1HZ LYS 73 1HZ LYS 73 -15.730 4.802 0.448 575 2HZ LYS 73 2HZ LYS 73 -15.164 6.148 1.218 576 3HZ LYS 73 3HZ LYS 73 -15.483 6.212 -0.319 577 H ILE 74 H ILE 74 -12.808 9.675 -1.589 578 HA ILE 74 HA ILE 74 -11.874 12.261 -2.203 579 HB ILE 74 HB ILE 74 -10.897 11.380 -4.155 580 1HG1 ILE 74 2HG1 ILE 74 -13.504 12.691 -5.007 581 2HG1 ILE 74 3HG1 ILE 74 -12.133 13.531 -4.266 582 1HG2 ILE 74 1HG2 ILE 74 -13.522 10.141 -5.079 583 2HG2 ILE 74 2HG2 ILE 74 -11.946 10.067 -5.873 584 3HG2 ILE 74 3HG2 ILE 74 -12.188 9.225 -4.350 585 1HD1 ILE 74 1HD1 ILE 74 -10.679 12.770 -6.155 586 2HD1 ILE 74 2HD1 ILE 74 -12.117 12.072 -6.939 587 3HD1 ILE 74 3HD1 ILE 74 -12.021 13.816 -6.657 588 H GLU 75 H GLU 75 -13.486 12.383 -0.558 589 HA GLU 75 HA GLU 75 -16.301 11.979 -1.093 590 1HB GLU 75 2HB GLU 75 -15.181 9.678 -1.030 591 2HB GLU 75 3HB GLU 75 -14.578 10.094 0.589 592 1HG GLU 75 2HG GLU 75 -16.841 10.042 1.471 593 2HG GLU 75 3HG GLU 75 -17.515 9.860 -0.165 Start of MODEL 10 1 1H MET 1 H1 MET 1 -13.431 -6.864 -11.136 2 2H MET 1 H2 MET 1 -15.016 -6.320 -11.167 3 3H MET 1 H3 MET 1 -14.009 -6.215 -9.849 4 HA MET 1 HA MET 1 -15.454 -7.907 -9.279 5 1HB MET 1 2HB MET 1 -14.746 -9.129 -11.981 6 2HB MET 1 3HB MET 1 -15.646 -9.941 -10.690 7 1HG MET 1 2HG MET 1 -17.375 -8.139 -10.787 8 2HG MET 1 3HG MET 1 -16.526 -7.432 -12.174 9 1HE MET 1 1HE MET 1 -19.600 -8.119 -12.174 10 2HE MET 1 2HE MET 1 -18.735 -7.426 -13.571 11 3HE MET 1 3HE MET 1 -19.762 -8.863 -13.781 12 H GLY 2 H GLY 2 -14.324 -8.844 -7.617 13 1HA GLY 2 2HA GLY 2 -12.715 -9.977 -6.468 14 2HA GLY 2 1HA GLY 2 -12.195 -10.702 -7.994 15 H ASP 3 H ASP 3 -12.236 -7.201 -7.534 16 HA ASP 3 HA ASP 3 -9.281 -6.986 -7.455 17 1HB ASP 3 2HB ASP 3 -9.687 -5.343 -9.366 18 2HB ASP 3 3HB ASP 3 -9.918 -7.053 -9.753 19 H GLY 4 H GLY 4 -9.906 -6.412 -5.166 20 1HA GLY 4 2HA GLY 4 -11.402 -3.974 -4.609 21 2HA GLY 4 1HA GLY 4 -10.289 -4.843 -3.526 22 H VAL 5 H VAL 5 -10.467 -1.860 -4.397 23 HA VAL 5 HA VAL 5 -7.596 -1.541 -4.841 24 HB VAL 5 HB VAL 5 -8.360 -1.685 -7.087 25 1HG1 VAL 5 1HG1 VAL 5 -10.485 0.416 -6.474 26 2HG1 VAL 5 2HG1 VAL 5 -10.089 -0.246 -8.067 27 3HG1 VAL 5 3HG1 VAL 5 -10.780 -1.300 -6.830 28 1HG2 VAL 5 1HG2 VAL 5 -6.753 0.127 -6.463 29 2HG2 VAL 5 2HG2 VAL 5 -7.666 0.443 -7.957 30 3HG2 VAL 5 3HG2 VAL 5 -8.099 1.284 -6.459 31 H LEU 6 H LEU 6 -6.796 0.148 -3.717 32 HA LEU 6 HA LEU 6 -8.422 2.535 -3.288 33 1HB LEU 6 2HB LEU 6 -7.248 0.910 -0.969 34 2HB LEU 6 3HB LEU 6 -7.435 2.656 -0.904 35 HG LEU 6 HG LEU 6 -9.956 2.048 -1.653 36 1HD1 LEU 6 1HD1 LEU 6 -9.044 -0.271 0.117 37 2HD1 LEU 6 2HD1 LEU 6 -10.731 0.139 -0.261 38 3HD1 LEU 6 3HD1 LEU 6 -9.647 -0.387 -1.551 39 1HD2 LEU 6 1HD2 LEU 6 -10.540 2.340 0.740 40 2HD2 LEU 6 2HD2 LEU 6 -8.845 2.051 1.187 41 3HD2 LEU 6 3HD2 LEU 6 -9.287 3.485 0.233 42 H GLU 7 H GLU 7 -7.083 4.375 -2.897 43 HA GLU 7 HA GLU 7 -4.151 3.931 -3.145 44 1HB GLU 7 2HB GLU 7 -5.650 6.474 -3.833 45 2HB GLU 7 3HB GLU 7 -3.927 6.122 -4.001 46 1HG GLU 7 2HG GLU 7 -4.727 4.113 -5.493 47 2HG GLU 7 3HG GLU 7 -6.244 5.009 -5.620 48 H LEU 8 H LEU 8 -3.509 3.765 -1.101 49 HA LEU 8 HA LEU 8 -4.789 5.466 1.001 50 1HB LEU 8 2HB LEU 8 -3.292 3.977 2.520 51 2HB LEU 8 3HB LEU 8 -4.869 3.420 1.998 52 HG LEU 8 HG LEU 8 -2.471 2.704 0.337 53 1HD1 LEU 8 1HD1 LEU 8 -2.169 0.656 1.685 54 2HD1 LEU 8 2HD1 LEU 8 -1.740 2.140 2.547 55 3HD1 LEU 8 3HD1 LEU 8 -3.283 1.311 2.905 56 1HD2 LEU 8 1HD2 LEU 8 -3.862 0.585 0.068 57 2HD2 LEU 8 2HD2 LEU 8 -5.113 1.304 1.077 58 3HD2 LEU 8 3HD2 LEU 8 -4.735 2.006 -0.507 59 H VAL 9 H VAL 9 -3.688 7.040 1.866 60 HA VAL 9 HA VAL 9 -1.276 7.968 0.501 61 HB VAL 9 HB VAL 9 -3.128 9.282 2.507 62 1HG1 VAL 9 1HG1 VAL 9 -2.013 11.372 1.760 63 2HG1 VAL 9 2HG1 VAL 9 -0.914 10.254 2.585 64 3HG1 VAL 9 3HG1 VAL 9 -0.856 10.403 0.810 65 1HG2 VAL 9 1HG2 VAL 9 -3.899 10.535 0.524 66 2HG2 VAL 9 2HG2 VAL 9 -2.850 9.561 -0.522 67 3HG2 VAL 9 3HG2 VAL 9 -4.215 8.806 0.322 68 H VAL 10 H VAL 10 0.594 7.139 1.243 69 HA VAL 10 HA VAL 10 0.809 6.087 4.000 70 HB VAL 10 HB VAL 10 2.966 5.147 2.963 71 1HG1 VAL 10 1HG1 VAL 10 0.224 4.163 2.072 72 2HG1 VAL 10 2HG1 VAL 10 1.720 3.203 2.056 73 3HG1 VAL 10 3HG1 VAL 10 1.059 3.779 3.596 74 1HG2 VAL 10 1HG2 VAL 10 2.842 6.503 0.835 75 2HG2 VAL 10 2HG2 VAL 10 3.004 4.762 0.589 76 3HG2 VAL 10 3HG2 VAL 10 1.433 5.532 0.372 77 H ARG 11 H ARG 11 1.209 7.888 5.289 78 HA ARG 11 HA ARG 11 3.188 9.866 4.346 79 1HB ARG 11 2HB ARG 11 2.311 9.625 7.216 80 2HB ARG 11 3HB ARG 11 2.954 11.012 6.380 81 1HG ARG 11 2HG ARG 11 0.184 9.789 6.122 82 2HG ARG 11 3HG ARG 11 0.614 11.377 6.749 83 1HD ARG 11 2HD ARG 11 0.807 10.395 3.892 84 2HD ARG 11 3HD ARG 11 -0.358 11.584 4.527 85 HE ARG 11 HE ARG 11 2.131 12.686 5.057 86 1HH1 ARG 11 2HH2 ARG 11 0.290 11.754 2.228 87 2HH1 ARG 11 1HH2 ARG 11 1.349 12.387 1.026 88 1HH2 ARG 11 2HH1 ARG 11 3.532 13.828 3.524 89 2HH2 ARG 11 1HH1 ARG 11 3.291 13.538 1.818 90 H GLY 12 H GLY 12 5.280 10.174 5.270 91 1HA GLY 12 2HA GLY 12 7.083 9.457 6.686 92 2HA GLY 12 1HA GLY 12 6.528 7.789 6.590 93 H MET 13 H MET 13 5.978 8.175 3.554 94 HA MET 13 HA MET 13 8.512 7.203 2.678 95 1HB MET 13 2HB MET 13 6.215 8.305 1.014 96 2HB MET 13 3HB MET 13 7.648 7.451 0.417 97 1HG MET 13 2HG MET 13 6.874 5.535 2.029 98 2HG MET 13 3HG MET 13 5.308 6.354 1.934 99 1HE MET 13 1HE MET 13 5.974 7.519 -1.270 100 2HE MET 13 2HE MET 13 4.929 6.362 -2.097 101 3HE MET 13 3HE MET 13 4.379 7.120 -0.594 102 H THR 14 H THR 14 10.144 8.696 3.170 103 HA THR 14 HA THR 14 10.055 11.392 2.107 104 HB THR 14 HB THR 14 11.194 10.827 4.180 105 HG1 THR 14 1HG THR 14 13.006 12.124 3.721 106 1HG2 THR 14 1HG2 THR 14 13.355 9.540 2.459 107 2HG2 THR 14 2HG2 THR 14 13.438 9.858 4.196 108 3HG2 THR 14 3HG2 THR 14 12.280 8.678 3.584 109 H CYS 15 H CYS 15 11.502 8.297 0.908 110 HA CYS 15 HA CYS 15 12.142 9.643 -1.651 111 1HB CYS 15 2HB CYS 15 14.499 9.116 -1.470 112 2HB CYS 15 3HB CYS 15 14.026 10.037 -0.049 113 H ALA 16 H ALA 16 13.326 8.038 -3.094 114 HA ALA 16 HA ALA 16 11.685 5.973 -3.889 115 1HB ALA 16 1HB ALA 16 14.701 6.183 -4.243 116 2HB ALA 16 2HB ALA 16 13.602 5.178 -5.212 117 3HB ALA 16 3HB ALA 16 13.466 6.947 -5.270 118 H SER 17 H SER 17 14.429 5.783 -1.583 119 HA SER 17 HA SER 17 14.638 3.061 -1.250 120 1HB SER 17 2HB SER 17 14.795 5.065 1.009 121 2HB SER 17 3HB SER 17 15.711 3.563 0.803 122 HG SER 17 HG SER 17 16.479 5.914 0.034 123 H CYS 18 H CYS 18 12.204 5.308 0.114 124 HA CYS 18 HA CYS 18 10.979 3.341 1.871 125 1HB CYS 18 2HB CYS 18 9.915 5.980 0.792 126 2HB CYS 18 3HB CYS 18 9.260 5.019 2.102 127 H VAL 19 H VAL 19 10.366 4.745 -1.345 128 HA VAL 19 HA VAL 19 7.806 3.695 -1.859 129 HB VAL 19 HB VAL 19 10.075 4.143 -3.866 130 1HG1 VAL 19 1HG1 VAL 19 8.290 4.486 -5.509 131 2HG1 VAL 19 2HG1 VAL 19 8.216 2.847 -4.855 132 3HG1 VAL 19 3HG1 VAL 19 7.076 4.083 -4.286 133 1HG2 VAL 19 1HG2 VAL 19 7.909 6.029 -2.878 134 2HG2 VAL 19 2HG2 VAL 19 9.645 6.158 -2.534 135 3HG2 VAL 19 3HG2 VAL 19 9.075 6.344 -4.194 136 H HIS 20 H HIS 20 11.005 2.370 -2.883 137 HA HIS 20 HA HIS 20 9.794 -0.019 -3.822 138 1HB HIS 20 2HB HIS 20 11.983 -0.767 -4.283 139 2HB HIS 20 3HB HIS 20 11.730 0.898 -4.798 140 HD1 HIS 20 1HD HIS 20 14.282 1.390 -4.964 141 HD2 HIS 20 2HD HIS 20 13.017 -0.031 -1.222 142 HE1 HIS 20 1HE HIS 20 16.321 1.436 -3.431 143 H LYS 21 H LYS 21 10.840 0.907 -0.573 144 HA LYS 21 HA LYS 21 11.023 -1.668 0.570 145 1HB LYS 21 2HB LYS 21 11.176 0.947 1.499 146 2HB LYS 21 3HB LYS 21 9.622 0.456 2.153 147 1HG LYS 21 2HG LYS 21 10.816 -1.591 3.075 148 2HG LYS 21 3HG LYS 21 12.328 -0.822 2.521 149 1HD LYS 21 2HD LYS 21 11.665 1.241 3.900 150 2HD LYS 21 3HD LYS 21 10.266 0.341 4.480 151 1HE LYS 21 2HE LYS 21 11.907 0.247 6.200 152 2HE LYS 21 3HE LYS 21 11.780 -1.372 5.499 153 1HZ LYS 21 1HZ LYS 21 13.782 -0.892 4.234 154 2HZ LYS 21 2HZ LYS 21 13.870 0.621 4.874 155 3HZ LYS 21 3HZ LYS 21 14.061 -0.693 5.842 156 H ILE 22 H ILE 22 8.267 0.614 0.196 157 HA ILE 22 HA ILE 22 6.338 -1.228 1.213 158 HB ILE 22 HB ILE 22 5.573 0.885 -0.806 159 1HG1 ILE 22 2HG1 ILE 22 6.789 1.338 1.867 160 2HG1 ILE 22 3HG1 ILE 22 6.776 2.317 0.377 161 1HG2 ILE 22 1HG2 ILE 22 3.508 0.926 0.493 162 2HG2 ILE 22 2HG2 ILE 22 3.908 -0.719 0.040 163 3HG2 ILE 22 3HG2 ILE 22 4.217 -0.180 1.699 164 1HD1 ILE 22 1HD1 ILE 22 4.510 2.086 2.404 165 2HD1 ILE 22 2HD1 ILE 22 5.581 3.466 2.149 166 3HD1 ILE 22 3HD1 ILE 22 4.442 2.996 0.874 167 H GLU 23 H GLU 23 7.084 -0.289 -2.187 168 HA GLU 23 HA GLU 23 5.215 -1.991 -3.322 169 1HB GLU 23 2HB GLU 23 6.891 -0.109 -4.321 170 2HB GLU 23 3HB GLU 23 7.760 -1.517 -4.895 171 1HG GLU 23 2HG GLU 23 5.943 -2.211 -6.253 172 2HG GLU 23 3HG GLU 23 4.762 -1.268 -5.329 173 H SER 24 H SER 24 8.713 -2.678 -2.848 174 HA SER 24 HA SER 24 8.678 -5.324 -3.867 175 1HB SER 24 2HB SER 24 10.718 -3.960 -3.415 176 2HB SER 24 3HB SER 24 10.464 -4.199 -1.670 177 HG SER 24 HG SER 24 11.922 -5.720 -2.687 178 H SER 25 H SER 25 8.115 -4.073 -0.470 179 HA SER 25 HA SER 25 8.071 -6.774 0.471 180 1HB SER 25 2HB SER 25 8.685 -4.753 1.833 181 2HB SER 25 3HB SER 25 6.947 -4.427 1.977 182 HG SER 25 HG SER 25 7.760 -5.744 3.697 183 H LEU 26 H LEU 26 5.562 -4.543 -0.660 184 HA LEU 26 HA LEU 26 3.307 -6.158 0.149 185 1HB LEU 26 2HB LEU 26 3.785 -3.831 -1.707 186 2HB LEU 26 3HB LEU 26 2.353 -4.822 -1.936 187 HG LEU 26 HG LEU 26 1.538 -4.461 0.245 188 1HD1 LEU 26 1HD1 LEU 26 3.579 -4.397 1.607 189 2HD1 LEU 26 2HD1 LEU 26 4.008 -2.824 0.915 190 3HD1 LEU 26 3HD1 LEU 26 2.554 -3.000 1.907 191 1HD2 LEU 26 1HD2 LEU 26 0.994 -2.794 -1.427 192 2HD2 LEU 26 2HD2 LEU 26 1.170 -1.993 0.145 193 3HD2 LEU 26 3HD2 LEU 26 2.457 -1.884 -1.080 194 H THR 27 H THR 27 5.133 -5.892 -2.945 195 HA THR 27 HA THR 27 3.530 -7.910 -4.230 196 HB THR 27 HB THR 27 5.228 -7.770 -6.041 197 HG1 THR 27 1HG THR 27 6.372 -5.734 -4.426 198 1HG2 THR 27 1HG2 THR 27 4.663 -5.475 -6.691 199 2HG2 THR 27 2HG2 THR 27 3.248 -6.275 -5.980 200 3HG2 THR 27 3HG2 THR 27 4.172 -5.090 -5.033 201 H LYS 28 H LYS 28 3.795 -9.321 -2.325 202 HA LYS 28 HA LYS 28 5.075 -11.675 -3.169 203 1HB LYS 28 2HB LYS 28 6.469 -12.144 -1.146 204 2HB LYS 28 3HB LYS 28 7.165 -11.022 -2.312 205 1HG LYS 28 2HG LYS 28 6.880 -9.159 -0.938 206 2HG LYS 28 3HG LYS 28 5.683 -9.964 0.107 207 1HD LYS 28 2HD LYS 28 7.346 -11.418 1.086 208 2HD LYS 28 3HD LYS 28 8.540 -10.981 -0.138 209 1HE LYS 28 2HE LYS 28 9.043 -9.930 2.050 210 2HE LYS 28 3HE LYS 28 8.832 -8.785 0.730 211 1HZ LYS 28 1HZ LYS 28 6.902 -9.369 2.897 212 2HZ LYS 28 2HZ LYS 28 7.642 -7.921 2.570 213 3HZ LYS 28 3HZ LYS 28 6.518 -8.490 1.558 214 H HIS 29 H HIS 29 3.377 -9.900 -0.503 215 HA HIS 29 HA HIS 29 2.545 -12.354 0.739 216 1HB HIS 29 2HB HIS 29 1.118 -11.107 2.092 217 2HB HIS 29 3HB HIS 29 2.561 -10.122 1.872 218 HD1 HIS 29 1HD HIS 29 -1.076 -10.316 0.523 219 HD2 HIS 29 2HD HIS 29 2.019 -7.646 1.520 220 HE1 HIS 29 1HE HIS 29 -2.073 -7.970 0.442 221 H ARG 30 H ARG 30 0.850 -13.690 0.260 222 HA ARG 30 HA ARG 30 -0.467 -13.613 -2.236 223 1HB ARG 30 2HB ARG 30 -0.369 -15.646 -0.849 224 2HB ARG 30 3HB ARG 30 -1.383 -14.872 0.390 225 1HG ARG 30 2HG ARG 30 -3.236 -14.681 -1.213 226 2HG ARG 30 3HG ARG 30 -2.238 -15.392 -2.499 227 1HD ARG 30 2HD ARG 30 -2.210 -17.524 -1.312 228 2HD ARG 30 3HD ARG 30 -3.011 -16.775 0.097 229 HE ARG 30 HE ARG 30 -4.575 -16.345 -2.261 230 1HH1 ARG 30 2HH2 ARG 30 -3.729 -18.937 -0.044 231 2HH1 ARG 30 1HH2 ARG 30 -5.272 -19.734 -0.119 232 1HH2 ARG 30 2HH1 ARG 30 -6.655 -17.323 -2.363 233 2HH2 ARG 30 1HH1 ARG 30 -6.971 -18.796 -1.511 234 H GLY 31 H GLY 31 -2.426 -12.725 -2.903 235 1HA GLY 31 2HA GLY 31 -4.577 -11.864 -2.500 236 2HA GLY 31 1HA GLY 31 -4.084 -11.225 -0.928 237 H ILE 32 H ILE 32 -1.496 -9.980 -2.180 238 HA ILE 32 HA ILE 32 -2.926 -7.694 -3.358 239 HB ILE 32 HB ILE 32 -0.421 -7.992 -2.017 240 1HG1 ILE 32 2HG1 ILE 32 -1.931 -5.598 -3.199 241 2HG1 ILE 32 3HG1 ILE 32 -2.273 -6.377 -1.643 242 1HG2 ILE 32 1HG2 ILE 32 0.685 -8.135 -4.221 243 2HG2 ILE 32 2HG2 ILE 32 -0.124 -6.627 -4.723 244 3HG2 ILE 32 3HG2 ILE 32 1.052 -6.632 -3.396 245 1HD1 ILE 32 1HD1 ILE 32 0.088 -4.719 -2.432 246 2HD1 ILE 32 2HD1 ILE 32 -0.977 -4.531 -1.045 247 3HD1 ILE 32 3HD1 ILE 32 0.215 -5.849 -1.078 248 H LEU 33 H LEU 33 -3.230 -7.333 -5.384 249 HA LEU 33 HA LEU 33 -2.420 -9.371 -7.370 250 1HB LEU 33 2HB LEU 33 -4.389 -7.058 -7.549 251 2HB LEU 33 3HB LEU 33 -4.182 -8.358 -8.730 252 HG LEU 33 HG LEU 33 -5.154 -8.720 -5.857 253 1HD1 LEU 33 1HD1 LEU 33 -6.758 -7.464 -7.233 254 2HD1 LEU 33 2HD1 LEU 33 -6.707 -8.738 -8.472 255 3HD1 LEU 33 3HD1 LEU 33 -7.361 -9.087 -6.858 256 1HD2 LEU 33 1HD2 LEU 33 -5.832 -10.981 -6.633 257 2HD2 LEU 33 2HD2 LEU 33 -5.005 -10.689 -8.177 258 3HD2 LEU 33 3HD2 LEU 33 -4.079 -10.769 -6.659 259 H TYR 34 H TYR 34 -2.300 -5.800 -6.725 260 HA TYR 34 HA TYR 34 0.211 -5.674 -8.143 261 1HB TYR 34 2HB TYR 34 -1.388 -5.580 -10.055 262 2HB TYR 34 3HB TYR 34 -2.204 -4.220 -9.300 263 HD1 TYR 34 HD1 TYR 34 -1.658 -2.098 -10.178 264 HD2 TYR 34 HD2 TYR 34 1.300 -5.235 -10.284 265 HE1 TYR 34 HE1 TYR 34 -0.138 -0.630 -11.469 266 HE2 TYR 34 HE2 TYR 34 2.881 -3.697 -11.406 267 HH TYR 34 HH TYR 34 3.229 -1.542 -12.183 268 H CYS 35 H CYS 35 1.107 -3.399 -8.049 269 HA CYS 35 HA CYS 35 -0.063 -1.789 -5.888 270 1HB CYS 35 2HB CYS 35 2.908 -2.518 -5.946 271 2HB CYS 35 3HB CYS 35 2.067 -1.486 -4.788 272 HG CYS 35 HG CYS 35 0.352 -3.372 -4.104 273 H SER 36 H SER 36 0.560 0.422 -6.044 274 HA SER 36 HA SER 36 2.734 1.128 -7.864 275 1HB SER 36 2HB SER 36 0.146 2.639 -8.352 276 2HB SER 36 3HB SER 36 1.659 2.664 -9.253 277 HG SER 36 HG SER 36 1.092 0.245 -9.470 278 H VAL 37 H VAL 37 3.888 1.869 -6.054 279 HA VAL 37 HA VAL 37 2.538 3.942 -4.388 280 HB VAL 37 HB VAL 37 3.190 2.142 -3.065 281 1HG1 VAL 37 1HG1 VAL 37 5.636 1.387 -2.997 282 2HG1 VAL 37 2HG1 VAL 37 4.601 0.821 -4.296 283 3HG1 VAL 37 3HG1 VAL 37 5.783 2.123 -4.603 284 1HG2 VAL 37 1HG2 VAL 37 5.386 4.194 -2.771 285 2HG2 VAL 37 2HG2 VAL 37 3.758 4.270 -2.041 286 3HG2 VAL 37 3HG2 VAL 37 4.877 2.997 -1.565 287 H ALA 38 H ALA 38 3.240 5.986 -4.177 288 HA ALA 38 HA ALA 38 5.462 6.907 -5.906 289 1HB ALA 38 1HB ALA 38 4.017 8.362 -7.191 290 2HB ALA 38 2HB ALA 38 3.560 6.662 -7.435 291 3HB ALA 38 3HB ALA 38 2.576 7.706 -6.382 292 H LEU 39 H LEU 39 6.349 8.695 -5.340 293 HA LEU 39 HA LEU 39 5.901 9.808 -2.719 294 1HB LEU 39 2HB LEU 39 7.726 10.594 -5.020 295 2HB LEU 39 3HB LEU 39 7.768 11.380 -3.439 296 HG LEU 39 HG LEU 39 8.132 8.384 -3.727 297 1HD1 LEU 39 1HD1 LEU 39 10.302 10.522 -3.740 298 2HD1 LEU 39 2HD1 LEU 39 10.561 8.766 -3.680 299 3HD1 LEU 39 3HD1 LEU 39 9.840 9.499 -5.120 300 1HD2 LEU 39 1HD2 LEU 39 9.018 10.362 -1.572 301 2HD2 LEU 39 2HD2 LEU 39 7.645 9.254 -1.429 302 3HD2 LEU 39 3HD2 LEU 39 9.284 8.609 -1.553 303 H ALA 40 H ALA 40 4.990 10.721 -5.971 304 HA ALA 40 HA ALA 40 4.578 13.327 -6.114 305 1HB ALA 40 1HB ALA 40 2.541 12.890 -7.439 306 2HB ALA 40 2HB ALA 40 3.822 11.721 -7.808 307 3HB ALA 40 3HB ALA 40 2.453 11.244 -6.777 308 H THR 41 H THR 41 2.382 11.247 -4.220 309 HA THR 41 HA THR 41 1.744 13.638 -2.540 310 HB THR 41 HB THR 41 -0.046 13.250 -4.161 311 HG1 THR 41 1HG THR 41 -1.694 13.390 -2.557 312 1HG2 THR 41 1HG2 THR 41 -0.563 10.728 -2.554 313 2HG2 THR 41 2HG2 THR 41 -1.573 11.350 -3.875 314 3HG2 THR 41 3HG2 THR 41 0.076 10.771 -4.218 315 H ASN 42 H ASN 42 3.423 11.100 -2.541 316 HA ASN 42 HA ASN 42 3.969 9.268 -1.344 317 1HB ASN 42 2HB ASN 42 2.760 10.463 1.136 318 2HB ASN 42 3HB ASN 42 4.185 9.460 0.972 319 1HD2 ASN 42 1HD2 ASN 42 6.306 10.578 0.605 320 2HD2 ASN 42 2HD2 ASN 42 6.324 12.300 0.431 321 H LYS 43 H LYS 43 2.112 8.452 -2.794 322 HA LYS 43 HA LYS 43 -0.167 7.350 -1.189 323 1HB LYS 43 2HB LYS 43 -1.295 6.938 -3.292 324 2HB LYS 43 3HB LYS 43 -1.022 8.648 -3.007 325 1HG LYS 43 2HG LYS 43 0.738 8.721 -4.706 326 2HG LYS 43 3HG LYS 43 0.846 6.968 -4.749 327 1HD LYS 43 2HD LYS 43 -0.325 7.707 -6.719 328 2HD LYS 43 3HD LYS 43 -1.341 6.717 -5.672 329 1HE LYS 43 2HE LYS 43 -2.371 8.896 -4.776 330 2HE LYS 43 3HE LYS 43 -1.490 9.757 -6.032 331 1HZ LYS 43 1HZ LYS 43 -2.889 8.915 -7.624 332 2HZ LYS 43 2HZ LYS 43 -3.079 7.470 -6.877 333 3HZ LYS 43 3HZ LYS 43 -3.935 8.736 -6.363 334 H ALA 44 H ALA 44 -0.692 5.179 -1.385 335 HA ALA 44 HA ALA 44 0.984 3.445 -3.117 336 1HB ALA 44 1HB ALA 44 1.691 3.087 -0.763 337 2HB ALA 44 2HB ALA 44 0.002 2.708 -0.342 338 3HB ALA 44 3HB ALA 44 0.897 1.690 -1.505 339 H HIS 45 H HIS 45 -0.271 2.861 -4.753 340 HA HIS 45 HA HIS 45 -3.125 2.583 -4.539 341 1HB HIS 45 2HB HIS 45 -1.592 3.504 -6.447 342 2HB HIS 45 3HB HIS 45 -1.139 1.815 -6.722 343 HD1 HIS 45 1HD HIS 45 -3.450 4.302 -7.796 344 HD2 HIS 45 2HD HIS 45 -3.778 0.315 -6.584 345 HE1 HIS 45 1HE HIS 45 -5.665 3.484 -8.701 346 H ILE 46 H ILE 46 -3.781 0.686 -3.527 347 HA ILE 46 HA ILE 46 -2.085 -1.792 -3.824 348 HB ILE 46 HB ILE 46 -3.936 -0.829 -1.629 349 1HG1 ILE 46 2HG1 ILE 46 -2.128 -1.600 -0.150 350 2HG1 ILE 46 3HG1 ILE 46 -1.218 -2.223 -1.530 351 1HG2 ILE 46 1HG2 ILE 46 -3.814 -3.121 -0.660 352 2HG2 ILE 46 2HG2 ILE 46 -4.762 -3.040 -2.128 353 3HG2 ILE 46 3HG2 ILE 46 -3.117 -3.703 -2.188 354 1HD1 ILE 46 1HD1 ILE 46 -0.688 -0.009 -2.272 355 2HD1 ILE 46 2HD1 ILE 46 -1.877 0.715 -1.155 356 3HD1 ILE 46 3HD1 ILE 46 -0.409 -0.057 -0.527 357 H LYS 47 H LYS 47 -2.955 -3.233 -5.248 358 HA LYS 47 HA LYS 47 -5.908 -3.186 -5.676 359 1HB LYS 47 2HB LYS 47 -3.740 -4.140 -7.579 360 2HB LYS 47 3HB LYS 47 -5.491 -4.103 -7.841 361 1HG LYS 47 2HG LYS 47 -5.305 -1.544 -7.391 362 2HG LYS 47 3HG LYS 47 -3.556 -1.724 -7.590 363 1HD LYS 47 2HD LYS 47 -3.914 -2.692 -9.856 364 2HD LYS 47 3HD LYS 47 -5.669 -2.685 -9.614 365 1HE LYS 47 2HE LYS 47 -5.736 -0.264 -9.497 366 2HE LYS 47 3HE LYS 47 -3.962 -0.160 -9.626 367 1HZ LYS 47 1HZ LYS 47 -4.136 -1.094 -11.825 368 2HZ LYS 47 2HZ LYS 47 -5.779 -1.193 -11.700 369 3HZ LYS 47 3HZ LYS 47 -5.038 0.275 -11.701 370 H TYR 48 H TYR 48 -6.871 -5.040 -4.878 371 HA TYR 48 HA TYR 48 -5.133 -7.279 -3.983 372 1HB TYR 48 2HB TYR 48 -5.812 -7.024 -1.742 373 2HB TYR 48 3HB TYR 48 -5.049 -5.546 -2.284 374 HD1 TYR 48 HD1 TYR 48 -6.688 -3.581 -3.049 375 HD2 TYR 48 HD2 TYR 48 -7.885 -6.912 -0.593 376 HE1 TYR 48 HE1 TYR 48 -8.422 -2.201 -2.013 377 HE2 TYR 48 HE2 TYR 48 -9.672 -5.552 0.395 378 HH TYR 48 HH TYR 48 -10.245 -2.160 -0.565 379 H ASP 49 H ASP 49 -6.177 -9.179 -3.524 380 HA ASP 49 HA ASP 49 -8.739 -9.888 -4.561 381 1HB ASP 49 2HB ASP 49 -7.051 -11.548 -4.126 382 2HB ASP 49 3HB ASP 49 -6.932 -11.069 -2.428 383 HA PRO 50 HA PRO 50 -10.606 -7.444 -1.273 384 1HB PRO 50 2HB PRO 50 -13.227 -7.503 -1.995 385 2HB PRO 50 3HB PRO 50 -11.985 -6.665 -2.968 386 1HG PRO 50 2HG PRO 50 -13.087 -9.455 -3.400 387 2HG PRO 50 3HG PRO 50 -12.929 -8.142 -4.606 388 1HD PRO 50 2HD PRO 50 -11.049 -10.122 -4.327 389 2HD PRO 50 3HD PRO 50 -10.583 -8.442 -4.740 390 H GLU 51 H GLU 51 -10.780 -10.857 -1.426 391 HA GLU 51 HA GLU 51 -12.825 -11.044 0.742 392 1HB GLU 51 2HB GLU 51 -11.711 -13.134 -1.176 393 2HB GLU 51 3HB GLU 51 -12.892 -13.411 0.115 394 1HG GLU 51 2HG GLU 51 -14.442 -11.776 -0.980 395 2HG GLU 51 3HG GLU 51 -13.267 -11.575 -2.293 396 H ILE 52 H ILE 52 -9.594 -12.297 -0.271 397 HA ILE 52 HA ILE 52 -9.358 -13.585 2.345 398 HB ILE 52 HB ILE 52 -7.352 -14.531 1.612 399 1HG1 ILE 52 2HG1 ILE 52 -7.337 -12.515 -0.632 400 2HG1 ILE 52 3HG1 ILE 52 -6.116 -12.801 0.605 401 1HG2 ILE 52 1HG2 ILE 52 -8.196 -15.828 -0.238 402 2HG2 ILE 52 2HG2 ILE 52 -9.588 -15.333 0.725 403 3HG2 ILE 52 3HG2 ILE 52 -9.223 -14.489 -0.793 404 1HD1 ILE 52 1HD1 ILE 52 -5.706 -15.068 -0.338 405 2HD1 ILE 52 2HD1 ILE 52 -6.811 -14.676 -1.687 406 3HD1 ILE 52 3HD1 ILE 52 -5.332 -13.744 -1.462 407 H ILE 53 H ILE 53 -8.004 -10.687 0.927 408 HA ILE 53 HA ILE 53 -6.558 -10.058 3.480 409 HB ILE 53 HB ILE 53 -4.999 -10.485 1.664 410 1HG1 ILE 53 2HG1 ILE 53 -4.228 -7.854 1.410 411 2HG1 ILE 53 3HG1 ILE 53 -5.249 -7.745 2.832 412 1HG2 ILE 53 1HG2 ILE 53 -4.883 -9.119 -0.355 413 2HG2 ILE 53 2HG2 ILE 53 -6.377 -10.060 -0.302 414 3HG2 ILE 53 3HG2 ILE 53 -6.389 -8.325 0.085 415 1HD1 ILE 53 1HD1 ILE 53 -3.923 -9.604 3.869 416 2HD1 ILE 53 2HD1 ILE 53 -2.920 -9.663 2.399 417 3HD1 ILE 53 3HD1 ILE 53 -2.904 -8.211 3.422 418 H GLY 54 H GLY 54 -7.294 -8.163 4.542 419 1HA GLY 54 2HA GLY 54 -9.348 -6.568 3.096 420 2HA GLY 54 1HA GLY 54 -9.157 -6.800 4.839 421 HA PRO 55 HA PRO 55 -7.007 -2.801 3.434 422 1HB PRO 55 2HB PRO 55 -8.652 -1.075 4.828 423 2HB PRO 55 3HB PRO 55 -8.884 -1.544 3.120 424 1HG PRO 55 2HG PRO 55 -10.236 -2.733 5.552 425 2HG PRO 55 3HG PRO 55 -10.991 -2.210 4.018 426 1HD PRO 55 2HD PRO 55 -10.409 -4.810 4.457 427 2HD PRO 55 3HD PRO 55 -10.107 -4.094 2.847 428 H ARG 56 H ARG 56 -8.444 -4.087 6.453 429 HA ARG 56 HA ARG 56 -6.727 -2.778 8.328 430 1HB ARG 56 2HB ARG 56 -8.263 -5.405 8.346 431 2HB ARG 56 3HB ARG 56 -7.126 -5.002 9.630 432 1HG ARG 56 2HG ARG 56 -9.295 -4.378 10.354 433 2HG ARG 56 3HG ARG 56 -8.299 -2.936 10.159 434 1HD ARG 56 2HD ARG 56 -9.388 -2.379 8.053 435 2HD ARG 56 3HD ARG 56 -10.327 -3.872 8.059 436 HE ARG 56 HE ARG 56 -10.816 -1.388 9.491 437 1HH1 ARG 56 2HH2 ARG 56 -11.373 -4.858 9.646 438 2HH1 ARG 56 1HH2 ARG 56 -12.820 -4.765 10.601 439 1HH2 ARG 56 2HH1 ARG 56 -12.718 -1.201 10.794 440 2HH2 ARG 56 1HH1 ARG 56 -13.587 -2.617 11.285 441 H ASP 57 H ASP 57 -6.422 -6.070 6.789 442 HA ASP 57 HA ASP 57 -3.973 -6.736 7.890 443 1HB ASP 57 2HB ASP 57 -4.833 -7.412 5.055 444 2HB ASP 57 3HB ASP 57 -3.823 -8.374 6.145 445 H ILE 58 H ILE 58 -4.674 -5.089 4.795 446 HA ILE 58 HA ILE 58 -2.019 -4.573 3.987 447 HB ILE 58 HB ILE 58 -4.689 -3.233 3.529 448 1HG1 ILE 58 2HG1 ILE 58 -4.121 -5.458 2.496 449 2HG1 ILE 58 3HG1 ILE 58 -4.564 -4.184 1.359 450 1HG2 ILE 58 1HG2 ILE 58 -3.298 -1.321 3.357 451 2HG2 ILE 58 2HG2 ILE 58 -2.057 -2.198 2.445 452 3HG2 ILE 58 3HG2 ILE 58 -3.648 -1.858 1.716 453 1HD1 ILE 58 1HD1 ILE 58 -2.129 -3.803 0.888 454 2HD1 ILE 58 2HD1 ILE 58 -1.727 -5.153 1.957 455 3HD1 ILE 58 3HD1 ILE 58 -2.689 -5.440 0.502 456 H ILE 59 H ILE 59 -4.143 -2.485 5.992 457 HA ILE 59 HA ILE 59 -2.286 -0.409 6.324 458 HB ILE 59 HB ILE 59 -4.659 -1.386 7.863 459 1HG1 ILE 59 2HG1 ILE 59 -4.126 1.370 6.701 460 2HG1 ILE 59 3HG1 ILE 59 -4.616 0.013 5.675 461 1HG2 ILE 59 1HG2 ILE 59 -3.296 -0.649 9.714 462 2HG2 ILE 59 2HG2 ILE 59 -2.821 0.826 8.851 463 3HG2 ILE 59 3HG2 ILE 59 -4.493 0.597 9.390 464 1HD1 ILE 59 1HD1 ILE 59 -6.603 -0.354 7.162 465 2HD1 ILE 59 2HD1 ILE 59 -6.197 1.167 7.991 466 3HD1 ILE 59 3HD1 ILE 59 -6.590 1.172 6.256 467 H HIS 60 H HIS 60 -2.790 -3.327 8.388 468 HA HIS 60 HA HIS 60 -0.728 -2.545 10.247 469 1HB HIS 60 2HB HIS 60 -1.973 -5.260 9.679 470 2HB HIS 60 3HB HIS 60 -0.883 -4.903 11.028 471 HD1 HIS 60 1HD HIS 60 -1.862 -2.593 12.533 472 HD2 HIS 60 2HD HIS 60 -4.482 -5.088 10.384 473 HE1 HIS 60 1HE HIS 60 -4.211 -2.164 13.454 474 H THR 61 H THR 61 -0.772 -4.504 7.318 475 HA THR 61 HA THR 61 1.889 -5.537 7.451 476 HB THR 61 HB THR 61 0.134 -4.800 5.082 477 HG1 THR 61 1HG THR 61 -0.671 -6.431 6.358 478 1HG2 THR 61 1HG2 THR 61 2.479 -4.916 4.293 479 2HG2 THR 61 2HG2 THR 61 2.699 -6.458 5.154 480 3HG2 THR 61 3HG2 THR 61 1.579 -6.350 3.779 481 H ILE 62 H ILE 62 0.629 -2.477 5.988 482 HA ILE 62 HA ILE 62 3.276 -1.564 5.291 483 HB ILE 62 HB ILE 62 0.614 -0.149 5.480 484 1HG1 ILE 62 2HG1 ILE 62 2.235 -0.969 3.034 485 2HG1 ILE 62 3HG1 ILE 62 0.977 -1.996 3.734 486 1HG2 ILE 62 1HG2 ILE 62 2.401 1.516 5.767 487 2HG2 ILE 62 2HG2 ILE 62 3.294 0.835 4.389 488 3HG2 ILE 62 3HG2 ILE 62 1.749 1.665 4.145 489 1HD1 ILE 62 1HD1 ILE 62 -0.015 -0.791 1.934 490 2HD1 ILE 62 2HD1 ILE 62 -0.669 -0.148 3.455 491 3HD1 ILE 62 3HD1 ILE 62 0.560 0.766 2.543 492 H GLU 63 H GLU 63 1.163 -0.982 8.146 493 HA GLU 63 HA GLU 63 2.706 1.082 9.263 494 1HB GLU 63 2HB GLU 63 1.359 0.993 11.009 495 2HB GLU 63 3HB GLU 63 0.354 -0.015 9.986 496 1HG GLU 63 2HG GLU 63 1.444 -2.015 11.204 497 2HG GLU 63 3HG GLU 63 2.176 -0.826 12.289 498 H SER 64 H SER 64 2.921 -2.402 9.650 499 HA SER 64 HA SER 64 5.210 -2.559 11.265 500 1HB SER 64 2HB SER 64 3.723 -4.470 10.636 501 2HB SER 64 3HB SER 64 4.484 -4.491 9.033 502 HG SER 64 HG SER 64 6.534 -4.606 10.368 503 H LEU 65 H LEU 65 5.171 -1.338 8.002 504 HA LEU 65 HA LEU 65 8.101 -1.789 7.668 505 1HB LEU 65 2HB LEU 65 6.125 -0.525 5.755 506 2HB LEU 65 3HB LEU 65 7.802 -0.967 5.422 507 HG LEU 65 HG LEU 65 5.544 -2.907 6.045 508 1HD1 LEU 65 1HD1 LEU 65 5.337 -1.766 3.850 509 2HD1 LEU 65 2HD1 LEU 65 6.963 -2.339 3.419 510 3HD1 LEU 65 3HD1 LEU 65 5.641 -3.502 3.698 511 1HD2 LEU 65 1HD2 LEU 65 7.118 -4.666 5.343 512 2HD2 LEU 65 2HD2 LEU 65 8.419 -3.459 5.200 513 3HD2 LEU 65 3HD2 LEU 65 7.702 -3.836 6.784 514 H GLY 66 H GLY 66 5.955 0.478 9.032 515 1HA GLY 66 2HA GLY 66 6.592 2.340 10.188 516 2HA GLY 66 1HA GLY 66 8.145 2.390 9.349 517 H PHE 67 H PHE 67 4.717 2.460 8.136 518 HA PHE 67 HA PHE 67 5.047 5.291 7.378 519 1HB PHE 67 2HB PHE 67 3.917 3.210 5.470 520 2HB PHE 67 3HB PHE 67 4.128 4.927 5.167 521 HD1 PHE 67 1HD PHE 67 5.661 1.658 4.960 522 HD2 PHE 67 2HD PHE 67 6.554 5.848 5.266 523 HE1 PHE 67 1HE PHE 67 7.967 1.221 4.166 524 HE2 PHE 67 2HE PHE 67 8.893 5.408 4.558 525 HZ PHE 67 HZ PHE 67 9.587 3.102 3.948 526 H GLU 68 H GLU 68 2.886 6.288 7.010 527 HA GLU 68 HA GLU 68 0.831 5.079 8.766 528 1HB GLU 68 2HB GLU 68 1.154 7.883 7.704 529 2HB GLU 68 3HB GLU 68 0.066 7.321 8.958 530 1HG GLU 68 2HG GLU 68 1.969 6.822 10.436 531 2HG GLU 68 3HG GLU 68 3.124 7.248 9.159 532 HA PRO 69 HA PRO 69 -0.942 4.590 4.466 533 1HB PRO 69 2HB PRO 69 -2.373 2.279 4.856 534 2HB PRO 69 3HB PRO 69 -0.605 2.300 4.589 535 1HG PRO 69 2HG PRO 69 -2.065 2.207 7.228 536 2HG PRO 69 3HG PRO 69 -0.751 1.131 6.661 537 1HD PRO 69 2HD PRO 69 -0.220 3.218 8.262 538 2HD PRO 69 3HD PRO 69 0.848 2.840 6.875 539 H SER 70 H SER 70 -2.011 6.565 4.979 540 HA SER 70 HA SER 70 -4.495 6.569 6.481 541 1HB SER 70 2HB SER 70 -3.302 8.728 4.705 542 2HB SER 70 3HB SER 70 -4.461 8.928 6.024 543 HG SER 70 HG SER 70 -1.787 7.922 6.285 544 H LEU 71 H LEU 71 -6.132 5.412 5.513 545 HA LEU 71 HA LEU 71 -6.487 5.067 2.699 546 1HB LEU 71 2HB LEU 71 -8.560 3.974 3.297 547 2HB LEU 71 3HB LEU 71 -7.211 3.400 4.262 548 HG LEU 71 HG LEU 71 -8.645 5.627 5.595 549 1HD1 LEU 71 1HD1 LEU 71 -10.168 3.049 5.016 550 2HD1 LEU 71 2HD1 LEU 71 -10.667 4.325 6.148 551 3HD1 LEU 71 3HD1 LEU 71 -10.589 4.666 4.412 552 1HD2 LEU 71 1HD2 LEU 71 -8.203 2.756 6.483 553 2HD2 LEU 71 2HD2 LEU 71 -6.997 4.044 6.693 554 3HD2 LEU 71 3HD2 LEU 71 -8.568 4.157 7.503 555 H VAL 72 H VAL 72 -6.279 7.464 2.210 556 HA VAL 72 HA VAL 72 -8.884 8.787 1.994 557 HB VAL 72 HB VAL 72 -6.513 9.399 0.247 558 1HG1 VAL 72 1HG1 VAL 72 -7.532 11.625 0.227 559 2HG1 VAL 72 2HG1 VAL 72 -8.830 10.480 -0.136 560 3HG1 VAL 72 3HG1 VAL 72 -8.692 11.166 1.485 561 1HG2 VAL 72 1HG2 VAL 72 -5.896 11.128 1.961 562 2HG2 VAL 72 2HG2 VAL 72 -7.010 10.349 3.103 563 3HG2 VAL 72 3HG2 VAL 72 -5.581 9.480 2.503 564 H LYS 73 H LYS 73 -7.971 8.832 -1.266 565 HA LYS 73 HA LYS 73 -9.478 6.294 -1.756 566 1HB LYS 73 2HB LYS 73 -10.386 9.045 -2.637 567 2HB LYS 73 3HB LYS 73 -11.180 7.517 -3.030 568 1HG LYS 73 2HG LYS 73 -10.891 8.668 -0.215 569 2HG LYS 73 3HG LYS 73 -12.290 8.877 -1.240 570 1HD LYS 73 2HD LYS 73 -12.992 6.695 -1.114 571 2HD LYS 73 3HD LYS 73 -11.422 6.027 -0.700 572 1HE LYS 73 2HE LYS 73 -12.686 7.951 1.262 573 2HE LYS 73 3HE LYS 73 -13.395 6.341 1.121 574 1HZ LYS 73 1HZ LYS 73 -11.582 6.577 2.827 575 2HZ LYS 73 2HZ LYS 73 -11.397 5.344 1.757 576 3HZ LYS 73 3HZ LYS 73 -10.502 6.680 1.611 577 H ILE 74 H ILE 74 -8.107 8.999 -3.270 578 HA ILE 74 HA ILE 74 -6.996 7.422 -5.475 579 HB ILE 74 HB ILE 74 -9.381 7.764 -6.108 580 1HG1 ILE 74 2HG1 ILE 74 -8.764 8.918 -8.414 581 2HG1 ILE 74 3HG1 ILE 74 -7.109 8.750 -7.814 582 1HG2 ILE 74 1HG2 ILE 74 -8.756 10.706 -6.478 583 2HG2 ILE 74 2HG2 ILE 74 -10.270 9.853 -6.799 584 3HG2 ILE 74 3HG2 ILE 74 -9.716 10.033 -5.132 585 1HD1 ILE 74 1HD1 ILE 74 -9.199 6.553 -8.207 586 2HD1 ILE 74 2HD1 ILE 74 -7.703 6.787 -9.132 587 3HD1 ILE 74 3HD1 ILE 74 -7.629 6.269 -7.436 588 H GLU 75 H GLU 75 -7.849 10.649 -4.368 589 HA GLU 75 HA GLU 75 -4.992 11.280 -4.026 590 1HB GLU 75 2HB GLU 75 -6.511 13.193 -4.788 591 2HB GLU 75 3HB GLU 75 -7.432 12.962 -3.288 592 1HG GLU 75 2HG GLU 75 -5.406 13.455 -1.970 593 2HG GLU 75 3HG GLU 75 -4.449 13.590 -3.456 Start of MODEL 11 1 1H MET 1 H1 MET 1 -11.435 -12.713 -5.014 2 2H MET 1 H2 MET 1 -11.523 -14.314 -5.459 3 3H MET 1 H3 MET 1 -10.470 -13.238 -6.131 4 HA MET 1 HA MET 1 -11.934 -13.249 -7.802 5 1HB MET 1 2HB MET 1 -13.468 -14.769 -6.354 6 2HB MET 1 3HB MET 1 -14.323 -13.286 -5.919 7 1HG MET 1 2HG MET 1 -13.862 -14.371 -8.735 8 2HG MET 1 3HG MET 1 -15.349 -14.538 -7.799 9 1HE MET 1 1HE MET 1 -15.147 -13.490 -10.822 10 2HE MET 1 2HE MET 1 -16.677 -13.725 -9.939 11 3HE MET 1 3HE MET 1 -16.350 -12.182 -10.762 12 H GLY 2 H GLY 2 -12.274 -11.222 -8.756 13 1HA GLY 2 2HA GLY 2 -13.204 -9.101 -8.948 14 2HA GLY 2 1HA GLY 2 -13.554 -9.060 -7.221 15 H ASP 3 H ASP 3 -10.977 -8.757 -9.644 16 HA ASP 3 HA ASP 3 -8.795 -7.928 -8.151 17 1HB ASP 3 2HB ASP 3 -8.565 -8.328 -10.499 18 2HB ASP 3 3HB ASP 3 -9.824 -7.138 -10.895 19 H GLY 4 H GLY 4 -8.876 -6.470 -6.463 20 1HA GLY 4 2HA GLY 4 -10.731 -4.262 -6.473 21 2HA GLY 4 1HA GLY 4 -9.497 -4.641 -5.265 22 H VAL 5 H VAL 5 -9.980 -2.049 -5.854 23 HA VAL 5 HA VAL 5 -7.280 -1.219 -6.544 24 HB VAL 5 HB VAL 5 -8.193 0.807 -7.759 25 1HG1 VAL 5 1HG1 VAL 5 -8.165 -0.207 -9.935 26 2HG1 VAL 5 2HG1 VAL 5 -7.011 -1.034 -8.878 27 3HG1 VAL 5 3HG1 VAL 5 -8.578 -1.797 -9.267 28 1HG2 VAL 5 1HG2 VAL 5 -10.616 0.639 -7.297 29 2HG2 VAL 5 2HG2 VAL 5 -10.299 0.586 -9.029 30 3HG2 VAL 5 3HG2 VAL 5 -10.690 -0.910 -8.167 31 H LEU 6 H LEU 6 -6.656 0.063 -4.797 32 HA LEU 6 HA LEU 6 -8.440 2.209 -4.203 33 1HB LEU 6 2HB LEU 6 -8.865 2.020 -1.938 34 2HB LEU 6 3HB LEU 6 -9.305 0.449 -2.587 35 HG LEU 6 HG LEU 6 -6.836 1.170 -0.957 36 1HD1 LEU 6 1HD1 LEU 6 -9.215 -0.671 -0.457 37 2HD1 LEU 6 2HD1 LEU 6 -7.863 -0.384 0.664 38 3HD1 LEU 6 3HD1 LEU 6 -8.986 0.927 0.251 39 1HD2 LEU 6 1HD2 LEU 6 -6.061 -0.491 -2.547 40 2HD2 LEU 6 2HD2 LEU 6 -6.352 -1.307 -1.017 41 3HD2 LEU 6 3HD2 LEU 6 -7.534 -1.451 -2.347 42 H GLU 7 H GLU 7 -7.439 3.888 -2.897 43 HA GLU 7 HA GLU 7 -4.474 3.833 -3.118 44 1HB GLU 7 2HB GLU 7 -6.348 6.228 -3.179 45 2HB GLU 7 3HB GLU 7 -4.586 6.219 -3.330 46 1HG GLU 7 2HG GLU 7 -4.946 4.632 -5.360 47 2HG GLU 7 3HG GLU 7 -6.640 5.157 -5.307 48 H LEU 8 H LEU 8 -3.439 3.812 -1.250 49 HA LEU 8 HA LEU 8 -4.659 5.100 1.169 50 1HB LEU 8 2HB LEU 8 -2.771 3.756 2.361 51 2HB LEU 8 3HB LEU 8 -4.308 2.973 2.099 52 HG LEU 8 HG LEU 8 -2.165 2.736 0.022 53 1HD1 LEU 8 1HD1 LEU 8 -2.387 1.006 2.513 54 2HD1 LEU 8 2HD1 LEU 8 -1.321 0.706 1.123 55 3HD1 LEU 8 3HD1 LEU 8 -1.068 2.133 2.131 56 1HD2 LEU 8 1HD2 LEU 8 -3.286 0.710 -0.582 57 2HD2 LEU 8 2HD2 LEU 8 -4.176 0.640 0.958 58 3HD2 LEU 8 3HD2 LEU 8 -4.613 1.822 -0.272 59 H VAL 9 H VAL 9 -3.698 6.919 1.664 60 HA VAL 9 HA VAL 9 -1.375 7.829 0.134 61 HB VAL 9 HB VAL 9 -2.974 9.274 2.259 62 1HG1 VAL 9 1HG1 VAL 9 -1.055 10.258 0.089 63 2HG1 VAL 9 2HG1 VAL 9 -1.945 11.281 1.225 64 3HG1 VAL 9 3HG1 VAL 9 -0.679 10.194 1.823 65 1HG2 VAL 9 1HG2 VAL 9 -3.236 9.236 -0.776 66 2HG2 VAL 9 2HG2 VAL 9 -4.459 8.708 0.401 67 3HG2 VAL 9 3HG2 VAL 9 -4.022 10.413 0.290 68 H VAL 10 H VAL 10 0.493 6.956 0.834 69 HA VAL 10 HA VAL 10 0.830 5.902 3.579 70 HB VAL 10 HB VAL 10 2.997 5.042 2.452 71 1HG1 VAL 10 1HG1 VAL 10 1.777 3.042 1.644 72 2HG1 VAL 10 2HG1 VAL 10 1.149 3.616 3.200 73 3HG1 VAL 10 3HG1 VAL 10 0.257 3.963 1.701 74 1HG2 VAL 10 1HG2 VAL 10 2.896 4.636 0.079 75 2HG2 VAL 10 2HG2 VAL 10 1.281 5.324 -0.032 76 3HG2 VAL 10 3HG2 VAL 10 2.664 6.384 0.303 77 H ARG 11 H ARG 11 0.940 7.894 4.636 78 HA ARG 11 HA ARG 11 2.872 9.909 3.721 79 1HB ARG 11 2HB ARG 11 1.301 9.681 6.311 80 2HB ARG 11 3HB ARG 11 2.248 11.076 5.821 81 1HG ARG 11 2HG ARG 11 0.796 11.535 3.976 82 2HG ARG 11 3HG ARG 11 -0.064 9.993 4.136 83 1HD ARG 11 2HD ARG 11 -1.314 10.664 5.962 84 2HD ARG 11 3HD ARG 11 -0.044 11.711 6.574 85 HE ARG 11 HE ARG 11 -0.780 13.482 5.393 86 1HH1 ARG 11 2HH2 ARG 11 -2.770 10.662 4.258 87 2HH1 ARG 11 1HH2 ARG 11 -3.540 11.699 3.052 88 1HH2 ARG 11 2HH1 ARG 11 -2.022 14.705 3.922 89 2HH2 ARG 11 1HH1 ARG 11 -3.271 13.949 2.994 90 H GLY 12 H GLY 12 4.864 10.404 4.746 91 1HA GLY 12 2HA GLY 12 6.476 10.041 6.501 92 2HA GLY 12 1HA GLY 12 5.984 8.354 6.635 93 H MET 13 H MET 13 5.915 8.503 3.364 94 HA MET 13 HA MET 13 8.535 7.426 3.008 95 1HB MET 13 2HB MET 13 6.520 8.582 1.044 96 2HB MET 13 3HB MET 13 7.979 7.667 0.619 97 1HG MET 13 2HG MET 13 7.118 5.673 1.693 98 2HG MET 13 3HG MET 13 5.738 6.539 2.346 99 1HE MET 13 1HE MET 13 7.569 5.786 -1.017 100 2HE MET 13 2HE MET 13 6.256 6.038 -2.204 101 3HE MET 13 3HE MET 13 6.874 7.415 -1.264 102 H THR 14 H THR 14 10.071 8.360 1.404 103 HA THR 14 HA THR 14 10.132 11.266 1.122 104 HB THR 14 HB THR 14 11.003 11.119 3.335 105 HG1 THR 14 1HG THR 14 12.983 12.108 2.960 106 1HG2 THR 14 1HG2 THR 14 11.816 8.802 3.433 107 2HG2 THR 14 2HG2 THR 14 13.144 9.200 2.314 108 3HG2 THR 14 3HG2 THR 14 13.073 9.939 3.919 109 H CYS 15 H CYS 15 11.922 8.154 0.579 110 HA CYS 15 HA CYS 15 12.933 9.350 -1.970 111 1HB CYS 15 2HB CYS 15 15.120 8.566 -1.477 112 2HB CYS 15 3HB CYS 15 14.564 9.458 -0.067 113 H ALA 16 H ALA 16 13.963 7.695 -3.348 114 HA ALA 16 HA ALA 16 12.251 5.741 -4.301 115 1HB ALA 16 1HB ALA 16 14.219 4.834 -5.463 116 2HB ALA 16 2HB ALA 16 14.194 6.607 -5.524 117 3HB ALA 16 3HB ALA 16 15.293 5.770 -4.402 118 H SER 17 H SER 17 14.599 5.459 -1.626 119 HA SER 17 HA SER 17 14.442 2.625 -1.572 120 1HB SER 17 2HB SER 17 16.280 3.976 -0.491 121 2HB SER 17 3HB SER 17 15.155 4.302 0.845 122 HG SER 17 HG SER 17 15.762 1.697 -0.173 123 H CYS 18 H CYS 18 12.390 5.170 -0.160 124 HA CYS 18 HA CYS 18 10.908 3.388 1.591 125 1HB CYS 18 2HB CYS 18 10.086 6.020 0.320 126 2HB CYS 18 3HB CYS 18 9.254 5.136 1.600 127 H VAL 19 H VAL 19 10.614 4.572 -1.755 128 HA VAL 19 HA VAL 19 8.145 3.418 -2.462 129 HB VAL 19 HB VAL 19 10.607 3.673 -4.253 130 1HG1 VAL 19 1HG1 VAL 19 8.671 2.340 -5.216 131 2HG1 VAL 19 2HG1 VAL 19 7.741 3.856 -5.160 132 3HG1 VAL 19 3HG1 VAL 19 9.211 3.758 -6.123 133 1HG2 VAL 19 1HG2 VAL 19 8.460 5.708 -3.601 134 2HG2 VAL 19 2HG2 VAL 19 10.183 5.802 -3.181 135 3HG2 VAL 19 3HG2 VAL 19 9.695 5.874 -4.876 136 H HIS 20 H HIS 20 11.460 2.054 -2.985 137 HA HIS 20 HA HIS 20 10.377 -0.416 -3.812 138 1HB HIS 20 2HB HIS 20 12.544 -1.195 -4.029 139 2HB HIS 20 3HB HIS 20 12.440 0.463 -4.603 140 HD1 HIS 20 1HD HIS 20 15.071 0.665 -4.524 141 HD2 HIS 20 2HD HIS 20 13.249 -0.270 -0.874 142 HE1 HIS 20 1HE HIS 20 16.896 0.796 -2.745 143 H LYS 21 H LYS 21 11.144 0.754 -0.556 144 HA LYS 21 HA LYS 21 11.034 -1.828 0.712 145 1HB LYS 21 2HB LYS 21 10.495 0.994 1.680 146 2HB LYS 21 3HB LYS 21 10.209 -0.407 2.712 147 1HG LYS 21 2HG LYS 21 12.468 -1.071 2.709 148 2HG LYS 21 3HG LYS 21 12.861 -0.036 1.323 149 1HD LYS 21 2HD LYS 21 12.515 1.994 2.658 150 2HD LYS 21 3HD LYS 21 11.952 1.039 4.032 151 1HE LYS 21 2HE LYS 21 14.287 1.826 4.317 152 2HE LYS 21 3HE LYS 21 14.152 0.063 4.361 153 1HZ LYS 21 1HZ LYS 21 14.931 0.002 2.087 154 2HZ LYS 21 2HZ LYS 21 15.049 1.630 1.997 155 3HZ LYS 21 3HZ LYS 21 16.012 0.804 3.027 156 H ILE 22 H ILE 22 8.456 0.686 0.108 157 HA ILE 22 HA ILE 22 6.424 -0.956 1.212 158 HB ILE 22 HB ILE 22 5.970 1.036 -1.015 159 1HG1 ILE 22 2HG1 ILE 22 6.919 1.473 1.748 160 2HG1 ILE 22 3HG1 ILE 22 6.942 2.508 0.305 161 1HG2 ILE 22 1HG2 ILE 22 4.082 -0.428 -0.450 162 2HG2 ILE 22 2HG2 ILE 22 4.191 0.043 1.253 163 3HG2 ILE 22 3HG2 ILE 22 3.731 1.227 0.004 164 1HD1 ILE 22 1HD1 ILE 22 4.618 2.168 2.221 165 2HD1 ILE 22 2HD1 ILE 22 5.718 3.550 2.086 166 3HD1 ILE 22 3HD1 ILE 22 4.622 3.179 0.751 167 H GLU 23 H GLU 23 7.382 -0.571 -2.285 168 HA GLU 23 HA GLU 23 5.476 -2.481 -3.153 169 1HB GLU 23 2HB GLU 23 8.070 -1.695 -4.540 170 2HB GLU 23 3HB GLU 23 6.711 -2.576 -5.260 171 1HG GLU 23 2HG GLU 23 5.206 -0.620 -4.608 172 2HG GLU 23 3HG GLU 23 6.688 0.238 -4.152 173 H SER 24 H SER 24 9.005 -3.012 -2.482 174 HA SER 24 HA SER 24 8.915 -5.780 -3.088 175 1HB SER 24 2HB SER 24 10.999 -4.399 -2.799 176 2HB SER 24 3HB SER 24 10.731 -4.445 -1.043 177 HG SER 24 HG SER 24 10.644 -6.856 -1.444 178 H SER 25 H SER 25 8.061 -4.014 -0.080 179 HA SER 25 HA SER 25 7.820 -6.419 1.498 180 1HB SER 25 2HB SER 25 8.199 -4.153 2.428 181 2HB SER 25 3HB SER 25 6.549 -3.698 1.963 182 HG SER 25 HG SER 25 5.823 -5.430 3.329 183 H LEU 26 H LEU 26 5.523 -4.453 -0.452 184 HA LEU 26 HA LEU 26 3.211 -5.972 0.367 185 1HB LEU 26 2HB LEU 26 3.771 -3.997 -1.856 186 2HB LEU 26 3HB LEU 26 2.218 -4.798 -1.708 187 HG LEU 26 HG LEU 26 3.475 -3.084 0.442 188 1HD1 LEU 26 1HD1 LEU 26 1.154 -2.525 -1.447 189 2HD1 LEU 26 2HD1 LEU 26 1.806 -1.403 -0.230 190 3HD1 LEU 26 3HD1 LEU 26 2.784 -1.861 -1.640 191 1HD2 LEU 26 1HD2 LEU 26 0.693 -4.301 0.339 192 2HD2 LEU 26 2HD2 LEU 26 1.964 -4.643 1.535 193 3HD2 LEU 26 3HD2 LEU 26 1.221 -3.054 1.473 194 H THR 27 H THR 27 4.958 -5.856 -2.773 195 HA THR 27 HA THR 27 3.239 -7.691 -4.015 196 HB THR 27 HB THR 27 6.047 -6.944 -4.917 197 HG1 THR 27 1HG THR 27 3.687 -5.371 -5.010 198 1HG2 THR 27 1HG2 THR 27 3.423 -7.377 -6.435 199 2HG2 THR 27 2HG2 THR 27 4.985 -6.923 -7.147 200 3HG2 THR 27 3HG2 THR 27 4.789 -8.513 -6.390 201 H LYS 28 H LYS 28 3.422 -9.299 -2.282 202 HA LYS 28 HA LYS 28 4.776 -11.689 -2.864 203 1HB LYS 28 2HB LYS 28 6.424 -11.822 -1.031 204 2HB LYS 28 3HB LYS 28 6.849 -10.665 -2.263 205 1HG LYS 28 2HG LYS 28 7.397 -9.474 -0.416 206 2HG LYS 28 3HG LYS 28 5.800 -8.854 -0.692 207 1HD LYS 28 2HD LYS 28 4.978 -9.678 1.254 208 2HD LYS 28 3HD LYS 28 5.729 -11.259 1.060 209 1HE LYS 28 2HE LYS 28 7.130 -8.722 2.046 210 2HE LYS 28 3HE LYS 28 6.510 -10.018 3.072 211 1HZ LYS 28 1HZ LYS 28 8.057 -11.518 2.001 212 2HZ LYS 28 2HZ LYS 28 8.640 -10.301 1.059 213 3HZ LYS 28 3HZ LYS 28 8.847 -10.249 2.687 214 H HIS 29 H HIS 29 3.151 -9.595 -0.380 215 HA HIS 29 HA HIS 29 2.367 -11.911 1.165 216 1HB HIS 29 2HB HIS 29 1.033 -10.545 2.446 217 2HB HIS 29 3HB HIS 29 2.441 -9.566 2.059 218 HD1 HIS 29 1HD HIS 29 -1.220 -9.973 0.736 219 HD2 HIS 29 2HD HIS 29 1.734 -7.124 1.646 220 HE1 HIS 29 1HE HIS 29 -2.293 -7.678 0.445 221 H ARG 30 H ARG 30 0.661 -13.276 0.830 222 HA ARG 30 HA ARG 30 -0.605 -13.444 -1.696 223 1HB ARG 30 2HB ARG 30 -1.490 -14.520 1.022 224 2HB ARG 30 3HB ARG 30 -2.248 -14.931 -0.524 225 1HG ARG 30 2HG ARG 30 -0.047 -15.780 -1.362 226 2HG ARG 30 3HG ARG 30 0.646 -15.508 0.252 227 1HD ARG 30 2HD ARG 30 -1.030 -17.047 1.231 228 2HD ARG 30 3HD ARG 30 -1.760 -17.274 -0.380 229 HE ARG 30 HE ARG 30 1.022 -17.902 -0.490 230 1HH1 ARG 30 2HH2 ARG 30 -2.007 -19.171 0.784 231 2HH1 ARG 30 1HH2 ARG 30 -1.553 -20.843 0.684 232 1HH2 ARG 30 2HH1 ARG 30 1.681 -20.121 -0.641 233 2HH2 ARG 30 1HH1 ARG 30 0.611 -21.388 -0.141 234 H GLY 31 H GLY 31 -2.687 -12.858 -2.408 235 1HA GLY 31 2HA GLY 31 -4.780 -11.862 -2.240 236 2HA GLY 31 1HA GLY 31 -4.382 -11.156 -0.679 237 H ILE 32 H ILE 32 -1.670 -9.973 -1.876 238 HA ILE 32 HA ILE 32 -2.991 -7.784 -3.287 239 HB ILE 32 HB ILE 32 -0.543 -7.921 -1.838 240 1HG1 ILE 32 2HG1 ILE 32 -1.822 -5.795 -3.615 241 2HG1 ILE 32 3HG1 ILE 32 -2.221 -6.161 -1.922 242 1HG2 ILE 32 1HG2 ILE 32 1.103 -7.074 -3.369 243 2HG2 ILE 32 2HG2 ILE 32 0.628 -8.674 -3.896 244 3HG2 ILE 32 3HG2 ILE 32 -0.004 -7.233 -4.746 245 1HD1 ILE 32 1HD1 ILE 32 -0.740 -4.295 -1.832 246 2HD1 ILE 32 2HD1 ILE 32 0.216 -5.713 -1.370 247 3HD1 ILE 32 3HD1 ILE 32 0.361 -5.019 -3.009 248 H LEU 33 H LEU 33 -3.303 -7.732 -5.365 249 HA LEU 33 HA LEU 33 -2.290 -9.878 -7.140 250 1HB LEU 33 2HB LEU 33 -4.216 -7.568 -7.629 251 2HB LEU 33 3HB LEU 33 -3.860 -8.898 -8.737 252 HG LEU 33 HG LEU 33 -5.116 -9.274 -5.984 253 1HD1 LEU 33 1HD1 LEU 33 -6.571 -7.943 -7.409 254 2HD1 LEU 33 2HD1 LEU 33 -6.424 -9.131 -8.724 255 3HD1 LEU 33 3HD1 LEU 33 -7.233 -9.576 -7.204 256 1HD2 LEU 33 1HD2 LEU 33 -5.754 -11.507 -6.959 257 2HD2 LEU 33 2HD2 LEU 33 -4.765 -11.136 -8.382 258 3HD2 LEU 33 3HD2 LEU 33 -4.006 -11.315 -6.783 259 H TYR 34 H TYR 34 -2.238 -6.277 -6.597 260 HA TYR 34 HA TYR 34 0.480 -6.231 -7.598 261 1HB TYR 34 2HB TYR 34 -0.820 -6.136 -9.721 262 2HB TYR 34 3HB TYR 34 -1.743 -4.781 -9.099 263 HD1 TYR 34 HD1 TYR 34 -1.091 -2.637 -9.793 264 HD2 TYR 34 HD2 TYR 34 1.815 -5.816 -9.730 265 HE1 TYR 34 HE1 TYR 34 0.531 -1.170 -10.948 266 HE2 TYR 34 HE2 TYR 34 3.473 -4.313 -10.819 267 HH TYR 34 HH TYR 34 2.706 -0.947 -11.725 268 H CYS 35 H CYS 35 1.372 -3.974 -7.319 269 HA CYS 35 HA CYS 35 -0.361 -2.068 -6.035 270 1HB CYS 35 2HB CYS 35 1.256 -1.364 -4.338 271 2HB CYS 35 3HB CYS 35 0.871 -3.032 -3.996 272 HG CYS 35 HG CYS 35 3.397 -2.570 -3.590 273 H SER 36 H SER 36 0.556 0.095 -6.356 274 HA SER 36 HA SER 36 3.282 0.142 -7.304 275 1HB SER 36 2HB SER 36 2.077 0.208 -9.460 276 2HB SER 36 3HB SER 36 1.175 1.643 -8.916 277 HG SER 36 HG SER 36 4.018 1.527 -8.946 278 H VAL 37 H VAL 37 4.315 1.774 -6.193 279 HA VAL 37 HA VAL 37 2.565 3.675 -4.717 280 HB VAL 37 HB VAL 37 3.795 1.797 -3.447 281 1HG1 VAL 37 1HG1 VAL 37 6.141 3.692 -3.665 282 2HG1 VAL 37 2HG1 VAL 37 6.089 2.070 -2.954 283 3HG1 VAL 37 3HG1 VAL 37 5.983 2.264 -4.714 284 1HG2 VAL 37 1HG2 VAL 37 4.375 3.249 -1.558 285 2HG2 VAL 37 2HG2 VAL 37 4.224 4.689 -2.591 286 3HG2 VAL 37 3HG2 VAL 37 2.815 3.672 -2.260 287 H ALA 38 H ALA 38 3.176 5.835 -4.562 288 HA ALA 38 HA ALA 38 5.668 6.643 -5.945 289 1HB ALA 38 1HB ALA 38 4.565 8.363 -7.231 290 2HB ALA 38 2HB ALA 38 3.981 6.754 -7.724 291 3HB ALA 38 3HB ALA 38 2.960 7.798 -6.698 292 H LEU 39 H LEU 39 6.632 8.239 -5.026 293 HA LEU 39 HA LEU 39 5.741 9.309 -2.507 294 1HB LEU 39 2HB LEU 39 7.799 10.370 -2.333 295 2HB LEU 39 3HB LEU 39 8.104 8.773 -3.009 296 HG LEU 39 HG LEU 39 8.104 11.407 -4.573 297 1HD1 LEU 39 1HD1 LEU 39 9.938 11.235 -2.956 298 2HD1 LEU 39 2HD1 LEU 39 10.386 9.642 -3.602 299 3HD1 LEU 39 3HD1 LEU 39 10.544 11.095 -4.612 300 1HD2 LEU 39 1HD2 LEU 39 8.836 8.567 -5.432 301 2HD2 LEU 39 2HD2 LEU 39 7.583 9.614 -6.149 302 3HD2 LEU 39 3HD2 LEU 39 9.280 10.031 -6.328 303 H ALA 40 H ALA 40 5.608 10.411 -5.826 304 HA ALA 40 HA ALA 40 5.573 13.154 -5.628 305 1HB ALA 40 1HB ALA 40 5.527 11.906 -7.749 306 2HB ALA 40 2HB ALA 40 3.849 11.404 -7.437 307 3HB ALA 40 3HB ALA 40 4.234 13.119 -7.702 308 H THR 41 H THR 41 2.881 10.932 -4.946 309 HA THR 41 HA THR 41 1.524 13.117 -3.450 310 HB THR 41 HB THR 41 -0.637 11.962 -4.207 311 HG1 THR 41 1HG THR 41 1.030 11.272 -6.397 312 1HG2 THR 41 1HG2 THR 41 -0.830 13.390 -6.210 313 2HG2 THR 41 2HG2 THR 41 -0.029 14.255 -4.886 314 3HG2 THR 41 3HG2 THR 41 0.931 13.618 -6.236 315 H ASN 42 H ASN 42 3.381 11.156 -2.694 316 HA ASN 42 HA ASN 42 3.708 9.160 -1.494 317 1HB ASN 42 2HB ASN 42 2.254 11.087 0.344 318 2HB ASN 42 3HB ASN 42 3.188 9.683 0.881 319 1HD2 ASN 42 1HD2 ASN 42 3.459 12.998 0.330 320 2HD2 ASN 42 2HD2 ASN 42 5.206 13.047 0.159 321 H LYS 43 H LYS 43 2.095 7.971 -2.970 322 HA LYS 43 HA LYS 43 -0.087 6.851 -1.264 323 1HB LYS 43 2HB LYS 43 -1.554 6.787 -3.232 324 2HB LYS 43 3HB LYS 43 -1.210 8.429 -2.669 325 1HG LYS 43 2HG LYS 43 0.208 8.903 -4.498 326 2HG LYS 43 3HG LYS 43 0.445 7.208 -4.916 327 1HD LYS 43 2HD LYS 43 -1.007 8.267 -6.539 328 2HD LYS 43 3HD LYS 43 -1.844 6.959 -5.680 329 1HE LYS 43 2HE LYS 43 -3.006 8.579 -4.253 330 2HE LYS 43 3HE LYS 43 -2.126 9.939 -4.977 331 1HZ LYS 43 1HZ LYS 43 -3.643 8.128 -6.688 332 2HZ LYS 43 2HZ LYS 43 -4.510 9.038 -5.758 333 3HZ LYS 43 3HZ LYS 43 -3.467 9.779 -6.855 334 H ALA 44 H ALA 44 -0.578 4.758 -1.495 335 HA ALA 44 HA ALA 44 0.895 3.123 -3.525 336 1HB ALA 44 1HB ALA 44 -0.301 2.182 -0.893 337 2HB ALA 44 2HB ALA 44 0.547 1.206 -2.101 338 3HB ALA 44 3HB ALA 44 1.421 2.425 -1.160 339 H HIS 45 H HIS 45 -0.444 2.591 -5.222 340 HA HIS 45 HA HIS 45 -3.361 2.529 -4.856 341 1HB HIS 45 2HB HIS 45 -2.660 3.704 -6.804 342 2HB HIS 45 3HB HIS 45 -1.350 2.568 -7.126 343 HD1 HIS 45 1HD HIS 45 -2.578 2.829 -9.574 344 HD2 HIS 45 2HD HIS 45 -4.203 0.288 -6.636 345 HE1 HIS 45 1HE HIS 45 -3.872 1.040 -10.786 346 H ILE 46 H ILE 46 -3.809 0.596 -3.884 347 HA ILE 46 HA ILE 46 -2.078 -1.775 -4.492 348 HB ILE 46 HB ILE 46 -3.791 -1.141 -2.074 349 1HG1 ILE 46 2HG1 ILE 46 -0.851 -1.855 -2.547 350 2HG1 ILE 46 3HG1 ILE 46 -1.485 -0.254 -2.147 351 1HG2 ILE 46 1HG2 ILE 46 -3.174 -3.514 -1.369 352 2HG2 ILE 46 2HG2 ILE 46 -4.318 -3.425 -2.697 353 3HG2 ILE 46 3HG2 ILE 46 -2.617 -3.769 -3.034 354 1HD1 ILE 46 1HD1 ILE 46 -2.348 -1.235 0.016 355 2HD1 ILE 46 2HD1 ILE 46 -1.400 -2.692 -0.330 356 3HD1 ILE 46 3HD1 ILE 46 -0.586 -1.137 -0.147 357 H LYS 47 H LYS 47 -2.942 -3.518 -5.437 358 HA LYS 47 HA LYS 47 -5.835 -3.501 -6.112 359 1HB LYS 47 2HB LYS 47 -3.453 -4.603 -7.665 360 2HB LYS 47 3HB LYS 47 -5.147 -4.738 -8.101 361 1HG LYS 47 2HG LYS 47 -5.109 -2.080 -8.046 362 2HG LYS 47 3HG LYS 47 -3.365 -2.230 -7.949 363 1HD LYS 47 2HD LYS 47 -3.609 -2.086 -10.245 364 2HD LYS 47 3HD LYS 47 -3.648 -3.839 -10.055 365 1HE LYS 47 2HE LYS 47 -5.925 -1.915 -10.637 366 2HE LYS 47 3HE LYS 47 -5.381 -3.301 -11.577 367 1HZ LYS 47 1HZ LYS 47 -7.370 -3.950 -10.520 368 2HZ LYS 47 2HZ LYS 47 -6.259 -4.756 -9.783 369 3HZ LYS 47 3HZ LYS 47 -6.893 -3.464 -9.016 370 H TYR 48 H TYR 48 -6.618 -4.897 -4.594 371 HA TYR 48 HA TYR 48 -5.068 -7.357 -3.973 372 1HB TYR 48 2HB TYR 48 -5.669 -7.225 -1.760 373 2HB TYR 48 3HB TYR 48 -5.043 -5.652 -2.157 374 HD1 TYR 48 HD1 TYR 48 -6.403 -3.678 -1.821 375 HD2 TYR 48 HD2 TYR 48 -8.129 -7.596 -1.384 376 HE1 TYR 48 HE1 TYR 48 -8.292 -2.727 -0.531 377 HE2 TYR 48 HE2 TYR 48 -10.048 -6.621 -0.191 378 HH TYR 48 HH TYR 48 -11.031 -4.708 0.586 379 H ASP 49 H ASP 49 -6.393 -9.171 -3.275 380 HA ASP 49 HA ASP 49 -8.957 -9.272 -4.747 381 1HB ASP 49 2HB ASP 49 -7.201 -10.969 -5.191 382 2HB ASP 49 3HB ASP 49 -7.446 -11.600 -3.552 383 HA PRO 50 HA PRO 50 -10.630 -8.787 -0.575 384 1HB PRO 50 2HB PRO 50 -13.294 -8.585 -1.148 385 2HB PRO 50 3HB PRO 50 -12.123 -7.291 -1.534 386 1HG PRO 50 2HG PRO 50 -13.135 -9.463 -3.390 387 2HG PRO 50 3HG PRO 50 -13.087 -7.701 -3.701 388 1HD PRO 50 2HD PRO 50 -11.145 -9.383 -4.569 389 2HD PRO 50 3HD PRO 50 -10.724 -7.742 -3.985 390 H GLU 51 H GLU 51 -10.919 -11.669 -2.545 391 HA GLU 51 HA GLU 51 -12.824 -12.951 -0.816 392 1HB GLU 51 2HB GLU 51 -12.314 -14.971 -1.819 393 2HB GLU 51 3HB GLU 51 -12.229 -13.748 -3.082 394 1HG GLU 51 2HG GLU 51 -9.694 -13.849 -2.888 395 2HG GLU 51 3HG GLU 51 -9.887 -15.088 -1.648 396 H ILE 52 H ILE 52 -9.493 -12.111 -0.317 397 HA ILE 52 HA ILE 52 -9.559 -13.588 2.280 398 HB ILE 52 HB ILE 52 -7.028 -13.886 1.940 399 1HG1 ILE 52 2HG1 ILE 52 -7.815 -13.882 -1.012 400 2HG1 ILE 52 3HG1 ILE 52 -6.923 -12.568 -0.240 401 1HG2 ILE 52 1HG2 ILE 52 -8.988 -15.624 0.394 402 2HG2 ILE 52 2HG2 ILE 52 -7.415 -16.126 1.041 403 3HG2 ILE 52 3HG2 ILE 52 -8.712 -15.681 2.142 404 1HD1 ILE 52 1HD1 ILE 52 -5.119 -14.150 0.392 405 2HD1 ILE 52 2HD1 ILE 52 -5.968 -15.443 -0.494 406 3HD1 ILE 52 3HD1 ILE 52 -5.372 -14.028 -1.361 407 H ILE 53 H ILE 53 -7.722 -10.944 0.599 408 HA ILE 53 HA ILE 53 -6.744 -10.202 3.279 409 HB ILE 53 HB ILE 53 -5.239 -10.477 1.349 410 1HG1 ILE 53 2HG1 ILE 53 -4.252 -7.961 1.584 411 2HG1 ILE 53 3HG1 ILE 53 -5.345 -7.948 2.950 412 1HG2 ILE 53 1HG2 ILE 53 -6.443 -7.911 0.296 413 2HG2 ILE 53 2HG2 ILE 53 -5.050 -8.795 -0.353 414 3HG2 ILE 53 3HG2 ILE 53 -6.655 -9.520 -0.444 415 1HD1 ILE 53 1HD1 ILE 53 -3.198 -10.040 2.347 416 2HD1 ILE 53 2HD1 ILE 53 -3.031 -8.719 3.511 417 3HD1 ILE 53 3HD1 ILE 53 -4.219 -10.018 3.808 418 H GLY 54 H GLY 54 -7.287 -8.346 4.413 419 1HA GLY 54 2HA GLY 54 -9.434 -6.612 3.240 420 2HA GLY 54 1HA GLY 54 -9.190 -6.988 4.951 421 HA PRO 55 HA PRO 55 -6.942 -2.982 3.562 422 1HB PRO 55 2HB PRO 55 -8.465 -1.192 5.021 423 2HB PRO 55 3HB PRO 55 -8.777 -1.640 3.320 424 1HG PRO 55 2HG PRO 55 -10.088 -2.777 5.799 425 2HG PRO 55 3HG PRO 55 -10.875 -2.222 4.294 426 1HD PRO 55 2HD PRO 55 -10.384 -4.846 4.718 427 2HD PRO 55 3HD PRO 55 -10.130 -4.142 3.097 428 H ARG 56 H ARG 56 -8.389 -4.056 6.651 429 HA ARG 56 HA ARG 56 -6.487 -2.938 8.405 430 1HB ARG 56 2HB ARG 56 -7.024 -5.075 9.798 431 2HB ARG 56 3HB ARG 56 -8.217 -3.801 9.584 432 1HG ARG 56 2HG ARG 56 -9.539 -5.013 8.101 433 2HG ARG 56 3HG ARG 56 -8.240 -6.129 7.664 434 1HD ARG 56 2HD ARG 56 -9.563 -5.959 10.420 435 2HD ARG 56 3HD ARG 56 -10.053 -7.113 9.187 436 HE ARG 56 HE ARG 56 -7.783 -7.293 10.961 437 1HH1 ARG 56 2HH2 ARG 56 -8.962 -8.324 7.808 438 2HH1 ARG 56 1HH2 ARG 56 -7.460 -9.033 7.304 439 1HH2 ARG 56 2HH1 ARG 56 -5.896 -8.620 10.486 440 2HH2 ARG 56 1HH1 ARG 56 -5.778 -9.319 8.888 441 H ASP 57 H ASP 57 -6.193 -5.991 6.451 442 HA ASP 57 HA ASP 57 -3.800 -6.876 7.781 443 1HB ASP 57 2HB ASP 57 -4.712 -7.369 4.923 444 2HB ASP 57 3HB ASP 57 -3.446 -8.246 5.789 445 H ILE 58 H ILE 58 -4.441 -5.087 4.761 446 HA ILE 58 HA ILE 58 -1.798 -4.526 3.948 447 HB ILE 58 HB ILE 58 -4.360 -2.904 3.704 448 1HG1 ILE 58 2HG1 ILE 58 -2.850 -4.597 1.666 449 2HG1 ILE 58 3HG1 ILE 58 -4.256 -5.151 2.586 450 1HG2 ILE 58 1HG2 ILE 58 -2.417 -1.355 3.519 451 2HG2 ILE 58 2HG2 ILE 58 -1.740 -2.399 2.252 452 3HG2 ILE 58 3HG2 ILE 58 -3.281 -1.530 2.022 453 1HD1 ILE 58 1HD1 ILE 58 -4.232 -2.855 0.597 454 2HD1 ILE 58 2HD1 ILE 58 -5.013 -4.436 0.428 455 3HD1 ILE 58 3HD1 ILE 58 -5.603 -3.275 1.640 456 H ILE 59 H ILE 59 -3.955 -2.551 6.053 457 HA ILE 59 HA ILE 59 -2.072 -0.550 6.550 458 HB ILE 59 HB ILE 59 -4.499 -1.506 8.043 459 1HG1 ILE 59 2HG1 ILE 59 -3.969 1.121 6.609 460 2HG1 ILE 59 3HG1 ILE 59 -4.575 -0.311 5.781 461 1HG2 ILE 59 1HG2 ILE 59 -4.330 0.564 9.467 462 2HG2 ILE 59 2HG2 ILE 59 -3.057 -0.593 9.809 463 3HG2 ILE 59 3HG2 ILE 59 -2.702 0.836 8.820 464 1HD1 ILE 59 1HD1 ILE 59 -5.955 1.101 8.091 465 2HD1 ILE 59 2HD1 ILE 59 -6.399 1.128 6.385 466 3HD1 ILE 59 3HD1 ILE 59 -6.511 -0.397 7.296 467 H HIS 60 H HIS 60 -2.698 -3.553 8.447 468 HA HIS 60 HA HIS 60 -0.714 -2.837 10.418 469 1HB HIS 60 2HB HIS 60 -2.360 -5.285 9.981 470 2HB HIS 60 3HB HIS 60 -0.986 -5.282 11.098 471 HD1 HIS 60 1HD HIS 60 -1.003 -3.013 12.882 472 HD2 HIS 60 2HD HIS 60 -4.570 -4.126 10.946 473 HE1 HIS 60 1HE HIS 60 -2.906 -1.926 14.166 474 H THR 61 H THR 61 -0.591 -4.499 7.370 475 HA THR 61 HA THR 61 2.090 -5.544 7.685 476 HB THR 61 HB THR 61 0.487 -4.733 5.236 477 HG1 THR 61 1HG THR 61 -0.426 -6.389 6.397 478 1HG2 THR 61 1HG2 THR 61 3.032 -6.411 5.464 479 2HG2 THR 61 2HG2 THR 61 2.041 -6.239 4.000 480 3HG2 THR 61 3HG2 THR 61 2.899 -4.833 4.652 481 H ILE 62 H ILE 62 0.767 -2.436 6.366 482 HA ILE 62 HA ILE 62 3.414 -1.526 5.646 483 HB ILE 62 HB ILE 62 0.727 -0.158 5.653 484 1HG1 ILE 62 2HG1 ILE 62 2.528 -1.174 3.392 485 2HG1 ILE 62 3HG1 ILE 62 1.136 -2.052 4.033 486 1HG2 ILE 62 1HG2 ILE 62 2.507 1.557 5.949 487 2HG2 ILE 62 2HG2 ILE 62 3.408 0.857 4.588 488 3HG2 ILE 62 3HG2 ILE 62 1.840 1.647 4.335 489 1HD1 ILE 62 1HD1 ILE 62 1.076 0.600 2.561 490 2HD1 ILE 62 2HD1 ILE 62 0.384 -0.949 2.074 491 3HD1 ILE 62 3HD1 ILE 62 -0.310 -0.079 3.454 492 H GLU 63 H GLU 63 1.203 -0.708 8.376 493 HA GLU 63 HA GLU 63 2.629 1.483 9.345 494 1HB GLU 63 2HB GLU 63 1.542 1.044 11.498 495 2HB GLU 63 3HB GLU 63 0.448 0.957 10.114 496 1HG GLU 63 2HG GLU 63 -0.319 -0.836 11.106 497 2HG GLU 63 3HG GLU 63 1.059 -1.657 10.330 498 H SER 64 H SER 64 3.110 -1.902 10.131 499 HA SER 64 HA SER 64 5.262 -1.891 11.827 500 1HB SER 64 2HB SER 64 4.027 -3.869 10.934 501 2HB SER 64 3HB SER 64 4.934 -3.726 9.415 502 HG SER 64 HG SER 64 5.826 -5.234 10.950 503 H LEU 65 H LEU 65 5.387 -1.114 8.339 504 HA LEU 65 HA LEU 65 8.302 -1.184 8.182 505 1HB LEU 65 2HB LEU 65 6.360 0.115 6.259 506 2HB LEU 65 3HB LEU 65 8.009 -0.409 5.932 507 HG LEU 65 HG LEU 65 5.638 -2.239 6.526 508 1HD1 LEU 65 1HD1 LEU 65 7.134 -1.756 3.923 509 2HD1 LEU 65 2HD1 LEU 65 5.724 -2.810 4.184 510 3HD1 LEU 65 3HD1 LEU 65 5.553 -1.058 4.333 511 1HD2 LEU 65 1HD2 LEU 65 8.503 -2.922 5.732 512 2HD2 LEU 65 2HD2 LEU 65 7.741 -3.266 7.303 513 3HD2 LEU 65 3HD2 LEU 65 7.153 -4.071 5.845 514 H GLY 66 H GLY 66 5.985 1.100 9.346 515 1HA GLY 66 2HA GLY 66 6.473 3.071 10.425 516 2HA GLY 66 1HA GLY 66 8.076 3.140 9.687 517 H PHE 67 H PHE 67 4.767 2.887 8.242 518 HA PHE 67 HA PHE 67 4.942 5.669 7.267 519 1HB PHE 67 2HB PHE 67 4.030 3.370 5.501 520 2HB PHE 67 3HB PHE 67 4.161 5.068 5.062 521 HD1 PHE 67 1HD PHE 67 5.757 1.908 4.827 522 HD2 PHE 67 2HD PHE 67 6.649 6.077 5.417 523 HE1 PHE 67 1HE PHE 67 8.067 1.530 4.017 524 HE2 PHE 67 2HE PHE 67 8.960 5.699 4.597 525 HZ PHE 67 HZ PHE 67 9.661 3.438 3.859 526 H GLU 68 H GLU 68 2.769 6.554 6.960 527 HA GLU 68 HA GLU 68 0.688 5.186 8.550 528 1HB GLU 68 2HB GLU 68 0.924 7.987 7.464 529 2HB GLU 68 3HB GLU 68 -0.300 7.398 8.572 530 1HG GLU 68 2HG GLU 68 1.444 7.046 10.299 531 2HG GLU 68 3HG GLU 68 2.690 7.606 9.164 532 HA PRO 69 HA PRO 69 -0.933 4.573 4.196 533 1HB PRO 69 2HB PRO 69 -2.317 2.269 4.572 534 2HB PRO 69 3HB PRO 69 -0.535 2.296 4.445 535 1HG PRO 69 2HG PRO 69 -2.177 2.296 6.985 536 2HG PRO 69 3HG PRO 69 -0.838 1.194 6.544 537 1HD PRO 69 2HD PRO 69 -0.424 3.356 8.097 538 2HD PRO 69 3HD PRO 69 0.758 2.878 6.841 539 H SER 70 H SER 70 -2.024 6.606 4.830 540 HA SER 70 HA SER 70 -4.581 6.387 6.257 541 1HB SER 70 2HB SER 70 -4.797 8.801 5.839 542 2HB SER 70 3HB SER 70 -3.315 8.326 6.673 543 HG SER 70 HG SER 70 -2.368 8.418 4.430 544 H LEU 71 H LEU 71 -6.172 5.275 5.218 545 HA LEU 71 HA LEU 71 -6.544 5.333 2.334 546 1HB LEU 71 2HB LEU 71 -8.185 4.280 4.659 547 2HB LEU 71 3HB LEU 71 -8.741 4.140 2.991 548 HG LEU 71 HG LEU 71 -6.097 2.969 3.873 549 1HD1 LEU 71 1HD1 LEU 71 -8.818 1.607 3.554 550 2HD1 LEU 71 2HD1 LEU 71 -7.282 0.830 3.994 551 3HD1 LEU 71 3HD1 LEU 71 -8.056 1.975 5.110 552 1HD2 LEU 71 1HD2 LEU 71 -6.395 3.350 1.392 553 2HD2 LEU 71 2HD2 LEU 71 -6.445 1.625 1.785 554 3HD2 LEU 71 3HD2 LEU 71 -7.943 2.520 1.465 555 H VAL 72 H VAL 72 -6.429 7.877 2.734 556 HA VAL 72 HA VAL 72 -9.224 8.922 2.646 557 HB VAL 72 HB VAL 72 -7.857 9.899 4.327 558 1HG1 VAL 72 1HG1 VAL 72 -5.602 9.678 3.533 559 2HG1 VAL 72 2HG1 VAL 72 -5.937 10.684 2.120 560 3HG1 VAL 72 3HG1 VAL 72 -5.942 11.399 3.745 561 1HG2 VAL 72 1HG2 VAL 72 -9.598 11.233 3.298 562 2HG2 VAL 72 2HG2 VAL 72 -8.229 12.257 3.759 563 3HG2 VAL 72 3HG2 VAL 72 -8.479 11.819 2.060 564 H LYS 73 H LYS 73 -8.716 7.332 0.799 565 HA LYS 73 HA LYS 73 -8.024 8.110 -1.786 566 1HB LYS 73 2HB LYS 73 -10.072 6.823 -2.420 567 2HB LYS 73 3HB LYS 73 -9.034 6.012 -1.245 568 1HG LYS 73 2HG LYS 73 -10.742 7.232 0.504 569 2HG LYS 73 3HG LYS 73 -11.791 7.170 -0.893 570 1HD LYS 73 2HD LYS 73 -11.722 4.798 -0.993 571 2HD LYS 73 3HD LYS 73 -10.320 4.671 0.078 572 1HE LYS 73 2HE LYS 73 -12.942 5.911 1.020 573 2HE LYS 73 3HE LYS 73 -12.681 4.164 1.073 574 1HZ LYS 73 1HZ LYS 73 -12.125 5.364 3.145 575 2HZ LYS 73 2HZ LYS 73 -10.919 4.422 2.560 576 3HZ LYS 73 3HZ LYS 73 -10.810 6.036 2.420 577 H ILE 74 H ILE 74 -8.219 10.098 -2.571 578 HA ILE 74 HA ILE 74 -8.984 12.075 -3.265 579 HB ILE 74 HB ILE 74 -11.735 11.420 -2.125 580 1HG1 ILE 74 2HG1 ILE 74 -12.351 11.482 -4.561 581 2HG1 ILE 74 3HG1 ILE 74 -10.637 11.499 -4.983 582 1HG2 ILE 74 1HG2 ILE 74 -12.444 13.422 -3.374 583 2HG2 ILE 74 2HG2 ILE 74 -11.342 13.829 -2.064 584 3HG2 ILE 74 3HG2 ILE 74 -10.746 13.795 -3.736 585 1HD1 ILE 74 1HD1 ILE 74 -11.838 9.281 -5.161 586 2HD1 ILE 74 2HD1 ILE 74 -10.388 9.216 -4.163 587 3HD1 ILE 74 3HD1 ILE 74 -12.000 9.272 -3.397 588 H GLU 75 H GLU 75 -7.907 13.599 -2.286 589 HA GLU 75 HA GLU 75 -8.748 14.664 0.289 590 1HB GLU 75 2HB GLU 75 -5.879 14.533 -0.792 591 2HB GLU 75 3HB GLU 75 -6.433 15.576 0.524 592 1HG GLU 75 2HG GLU 75 -7.064 13.590 1.850 593 2HG GLU 75 3HG GLU 75 -6.460 12.530 0.557 Start of MODEL 12 1 1H MET 1 H1 MET 1 -15.655 -9.177 -6.110 2 2H MET 1 H2 MET 1 -16.018 -9.763 -4.577 3 3H MET 1 H3 MET 1 -14.772 -8.687 -4.824 4 HA MET 1 HA MET 1 -13.674 -10.664 -4.684 5 1HB MET 1 2HB MET 1 -15.896 -11.676 -6.540 6 2HB MET 1 3HB MET 1 -14.406 -12.577 -6.243 7 1HG MET 1 2HG MET 1 -14.911 -12.788 -3.881 8 2HG MET 1 3HG MET 1 -16.379 -11.817 -4.055 9 1HE MET 1 1HE MET 1 -16.130 -14.713 -2.683 10 2HE MET 1 2HE MET 1 -17.633 -13.754 -2.730 11 3HE MET 1 3HE MET 1 -17.639 -15.451 -3.267 12 H GLY 2 H GLY 2 -11.978 -11.209 -6.305 13 1HA GLY 2 2HA GLY 2 -10.693 -10.828 -8.183 14 2HA GLY 2 1HA GLY 2 -12.189 -10.489 -9.055 15 H ASP 3 H ASP 3 -9.500 -9.126 -7.312 16 HA ASP 3 HA ASP 3 -8.464 -7.202 -7.344 17 1HB ASP 3 2HB ASP 3 -8.972 -7.275 -9.831 18 2HB ASP 3 3HB ASP 3 -10.296 -6.138 -9.528 19 H GLY 4 H GLY 4 -8.581 -4.871 -6.892 20 1HA GLY 4 2HA GLY 4 -10.859 -3.617 -5.660 21 2HA GLY 4 1HA GLY 4 -10.017 -4.603 -4.455 22 H VAL 5 H VAL 5 -9.905 -1.770 -6.423 23 HA VAL 5 HA VAL 5 -7.065 -1.215 -6.044 24 HB VAL 5 HB VAL 5 -9.159 0.524 -7.405 25 1HG1 VAL 5 1HG1 VAL 5 -6.896 1.492 -7.004 26 2HG1 VAL 5 2HG1 VAL 5 -6.185 0.126 -7.884 27 3HG1 VAL 5 3HG1 VAL 5 -7.241 1.273 -8.728 28 1HG2 VAL 5 1HG2 VAL 5 -8.366 -0.705 -9.529 29 2HG2 VAL 5 2HG2 VAL 5 -7.843 -2.002 -8.428 30 3HG2 VAL 5 3HG2 VAL 5 -9.543 -1.527 -8.503 31 H LEU 6 H LEU 6 -6.338 -0.090 -4.245 32 HA LEU 6 HA LEU 6 -8.085 2.079 -3.136 33 1HB LEU 6 2HB LEU 6 -6.479 0.003 -1.590 34 2HB LEU 6 3HB LEU 6 -6.983 1.561 -0.943 35 HG LEU 6 HG LEU 6 -9.397 0.924 -1.542 36 1HD1 LEU 6 1HD1 LEU 6 -9.199 -1.040 -2.908 37 2HD1 LEU 6 2HD1 LEU 6 -8.050 -1.796 -1.796 38 3HD1 LEU 6 3HD1 LEU 6 -9.761 -1.610 -1.350 39 1HD2 LEU 6 1HD2 LEU 6 -7.867 -0.552 0.633 40 2HD2 LEU 6 2HD2 LEU 6 -8.532 1.089 0.739 41 3HD2 LEU 6 3HD2 LEU 6 -9.625 -0.295 0.600 42 H GLU 7 H GLU 7 -7.095 3.981 -2.916 43 HA GLU 7 HA GLU 7 -4.135 4.170 -3.216 44 1HB GLU 7 2HB GLU 7 -6.248 6.291 -3.758 45 2HB GLU 7 3HB GLU 7 -4.505 6.525 -3.685 46 1HG GLU 7 2HG GLU 7 -4.569 4.483 -5.481 47 2HG GLU 7 3HG GLU 7 -6.141 5.220 -5.823 48 H LEU 8 H LEU 8 -3.430 3.922 -1.189 49 HA LEU 8 HA LEU 8 -4.700 5.515 1.000 50 1HB LEU 8 2HB LEU 8 -3.050 4.109 2.437 51 2HB LEU 8 3HB LEU 8 -4.599 3.432 1.985 52 HG LEU 8 HG LEU 8 -2.239 2.894 0.200 53 1HD1 LEU 8 1HD1 LEU 8 -1.730 0.890 1.525 54 2HD1 LEU 8 2HD1 LEU 8 -1.394 2.386 2.414 55 3HD1 LEU 8 3HD1 LEU 8 -2.855 1.433 2.790 56 1HD2 LEU 8 1HD2 LEU 8 -4.495 2.050 -0.526 57 2HD2 LEU 8 2HD2 LEU 8 -3.461 0.706 -0.044 58 3HD2 LEU 8 3HD2 LEU 8 -4.713 1.282 1.057 59 H VAL 9 H VAL 9 -3.536 7.125 1.887 60 HA VAL 9 HA VAL 9 -1.086 8.008 0.466 61 HB VAL 9 HB VAL 9 -2.773 9.480 2.511 62 1HG1 VAL 9 1HG1 VAL 9 -0.543 10.437 0.653 63 2HG1 VAL 9 2HG1 VAL 9 -1.484 11.447 1.764 64 3HG1 VAL 9 3HG1 VAL 9 -0.373 10.226 2.402 65 1HG2 VAL 9 1HG2 VAL 9 -3.997 9.112 0.368 66 2HG2 VAL 9 2HG2 VAL 9 -3.511 10.807 0.531 67 3HG2 VAL 9 3HG2 VAL 9 -2.600 9.720 -0.535 68 H VAL 10 H VAL 10 0.794 7.358 1.297 69 HA VAL 10 HA VAL 10 0.883 6.104 3.985 70 HB VAL 10 HB VAL 10 3.003 5.100 2.896 71 1HG1 VAL 10 1HG1 VAL 10 0.186 4.255 2.102 72 2HG1 VAL 10 2HG1 VAL 10 1.630 3.220 2.029 73 3HG1 VAL 10 3HG1 VAL 10 1.048 3.818 3.593 74 1HG2 VAL 10 1HG2 VAL 10 1.370 5.550 0.366 75 2HG2 VAL 10 2HG2 VAL 10 2.820 6.490 0.764 76 3HG2 VAL 10 3HG2 VAL 10 2.932 4.736 0.534 77 H ARG 11 H ARG 11 1.429 7.769 5.350 78 HA ARG 11 HA ARG 11 3.222 9.897 4.375 79 1HB ARG 11 2HB ARG 11 2.239 9.425 7.210 80 2HB ARG 11 3HB ARG 11 3.123 10.812 6.638 81 1HG ARG 11 2HG ARG 11 0.793 11.347 6.911 82 2HG ARG 11 3HG ARG 11 1.289 11.522 5.213 83 1HD ARG 11 2HD ARG 11 0.028 9.581 4.552 84 2HD ARG 11 3HD ARG 11 0.103 8.938 6.196 85 HE ARG 11 HE ARG 11 -1.929 9.550 6.477 86 1HH1 ARG 11 2HH2 ARG 11 -0.524 12.141 4.559 87 2HH1 ARG 11 1HH2 ARG 11 -1.985 13.087 4.502 88 1HH2 ARG 11 2HH1 ARG 11 -3.741 10.602 6.416 89 2HH2 ARG 11 1HH1 ARG 11 -3.946 12.196 5.690 90 H GLY 12 H GLY 12 5.380 10.059 4.798 91 1HA GLY 12 2HA GLY 12 7.274 9.645 6.207 92 2HA GLY 12 1HA GLY 12 6.721 8.004 6.511 93 H MET 13 H MET 13 6.017 7.798 3.388 94 HA MET 13 HA MET 13 8.659 6.739 2.850 95 1HB MET 13 2HB MET 13 7.696 5.853 0.804 96 2HB MET 13 3HB MET 13 6.889 5.325 2.268 97 1HG MET 13 2HG MET 13 4.957 6.304 1.759 98 2HG MET 13 3HG MET 13 5.646 7.706 0.962 99 1HE MET 13 1HE MET 13 6.674 7.650 -1.422 100 2HE MET 13 2HE MET 13 7.554 6.112 -1.322 101 3HE MET 13 3HE MET 13 6.384 6.368 -2.630 102 H THR 14 H THR 14 9.937 8.588 2.828 103 HA THR 14 HA THR 14 9.348 10.846 1.182 104 HB THR 14 HB THR 14 11.801 11.382 1.875 105 HG1 THR 14 1HG THR 14 12.414 9.215 2.354 106 1HG2 THR 14 1HG2 THR 14 9.819 12.292 3.040 107 2HG2 THR 14 2HG2 THR 14 9.689 10.803 4.002 108 3HG2 THR 14 3HG2 THR 14 11.099 11.861 4.191 109 H CYS 15 H CYS 15 11.283 7.896 0.532 110 HA CYS 15 HA CYS 15 12.190 9.110 -2.033 111 1HB CYS 15 2HB CYS 15 14.476 8.894 -1.525 112 2HB CYS 15 3HB CYS 15 13.762 9.708 -0.144 113 H ALA 16 H ALA 16 13.638 7.578 -3.207 114 HA ALA 16 HA ALA 16 12.308 5.379 -4.150 115 1HB ALA 16 1HB ALA 16 14.219 6.434 -5.265 116 2HB ALA 16 2HB ALA 16 15.321 5.791 -4.025 117 3HB ALA 16 3HB ALA 16 14.463 4.682 -5.116 118 H SER 17 H SER 17 14.592 5.468 -1.419 119 HA SER 17 HA SER 17 14.870 2.691 -0.992 120 1HB SER 17 2HB SER 17 16.172 4.522 0.170 121 2HB SER 17 3HB SER 17 14.753 4.798 1.199 122 HG SER 17 HG SER 17 16.078 2.298 0.890 123 H CYS 18 H CYS 18 12.419 5.038 0.200 124 HA CYS 18 HA CYS 18 10.981 3.093 1.766 125 1HB CYS 18 2HB CYS 18 10.070 5.781 0.693 126 2HB CYS 18 3HB CYS 18 9.355 4.809 1.983 127 H VAL 19 H VAL 19 10.672 4.476 -1.525 128 HA VAL 19 HA VAL 19 8.185 3.498 -2.252 129 HB VAL 19 HB VAL 19 10.723 3.720 -3.932 130 1HG1 VAL 19 1HG1 VAL 19 9.374 3.779 -5.930 131 2HG1 VAL 19 2HG1 VAL 19 9.146 2.230 -5.117 132 3HG1 VAL 19 3HG1 VAL 19 7.898 3.484 -5.010 133 1HG2 VAL 19 1HG2 VAL 19 9.896 5.827 -2.897 134 2HG2 VAL 19 2HG2 VAL 19 9.861 5.840 -4.666 135 3HG2 VAL 19 3HG2 VAL 19 8.357 5.598 -3.745 136 H HIS 20 H HIS 20 11.395 1.950 -2.790 137 HA HIS 20 HA HIS 20 10.117 -0.454 -3.638 138 1HB HIS 20 2HB HIS 20 12.286 -1.300 -3.993 139 2HB HIS 20 3HB HIS 20 12.052 0.324 -4.648 140 HD1 HIS 20 1HD HIS 20 14.577 0.843 -4.867 141 HD2 HIS 20 2HD HIS 20 13.327 -0.293 -1.032 142 HE1 HIS 20 1HE HIS 20 16.612 1.070 -3.343 143 H LYS 21 H LYS 21 11.294 0.620 -0.410 144 HA LYS 21 HA LYS 21 11.102 -1.775 0.933 145 1HB LYS 21 2HB LYS 21 11.566 0.734 1.707 146 2HB LYS 21 3HB LYS 21 9.841 0.732 2.079 147 1HG LYS 21 2HG LYS 21 10.338 -1.413 3.394 148 2HG LYS 21 3HG LYS 21 12.056 -1.039 3.083 149 1HD LYS 21 2HD LYS 21 11.684 1.242 4.117 150 2HD LYS 21 3HD LYS 21 10.023 0.753 4.503 151 1HE LYS 21 2HE LYS 21 10.929 -1.102 5.931 152 2HE LYS 21 3HE LYS 21 12.564 -0.484 5.628 153 1HZ LYS 21 1HZ LYS 21 11.713 0.362 7.685 154 2HZ LYS 21 2HZ LYS 21 11.811 1.626 6.635 155 3HZ LYS 21 3HZ LYS 21 10.356 0.942 6.992 156 H ILE 22 H ILE 22 8.379 0.573 0.280 157 HA ILE 22 HA ILE 22 6.433 -1.252 1.373 158 HB ILE 22 HB ILE 22 5.824 0.888 -0.703 159 1HG1 ILE 22 2HG1 ILE 22 6.118 1.052 2.297 160 2HG1 ILE 22 3HG1 ILE 22 6.993 1.969 1.046 161 1HG2 ILE 22 1HG2 ILE 22 3.552 0.763 0.330 162 2HG2 ILE 22 2HG2 ILE 22 4.029 -0.813 -0.272 163 3HG2 ILE 22 3HG2 ILE 22 4.140 -0.463 1.464 164 1HD1 ILE 22 1HD1 ILE 22 5.428 3.470 2.003 165 2HD1 ILE 22 2HD1 ILE 22 4.849 3.053 0.379 166 3HD1 ILE 22 3HD1 ILE 22 4.089 2.333 1.826 167 H GLU 23 H GLU 23 7.238 -0.402 -2.022 168 HA GLU 23 HA GLU 23 5.294 -2.033 -3.144 169 1HB GLU 23 2HB GLU 23 6.811 -0.143 -4.087 170 2HB GLU 23 3HB GLU 23 7.909 -1.431 -4.584 171 1HG GLU 23 2HG GLU 23 6.197 -2.332 -6.062 172 2HG GLU 23 3HG GLU 23 4.940 -1.329 -5.310 173 H SER 24 H SER 24 8.782 -2.814 -2.657 174 HA SER 24 HA SER 24 8.551 -5.453 -3.721 175 1HB SER 24 2HB SER 24 10.693 -4.065 -3.362 176 2HB SER 24 3HB SER 24 10.625 -4.604 -1.673 177 HG SER 24 HG SER 24 10.846 -6.156 -4.040 178 H SER 25 H SER 25 8.201 -4.151 -0.337 179 HA SER 25 HA SER 25 8.145 -6.777 0.838 180 1HB SER 25 2HB SER 25 8.652 -4.706 2.078 181 2HB SER 25 3HB SER 25 6.969 -4.170 1.861 182 HG SER 25 HG SER 25 7.322 -5.236 3.871 183 H LEU 26 H LEU 26 5.541 -4.517 -0.139 184 HA LEU 26 HA LEU 26 3.416 -6.199 0.786 185 1HB LEU 26 2HB LEU 26 3.627 -3.696 -0.895 186 2HB LEU 26 3HB LEU 26 2.117 -4.575 -0.880 187 HG LEU 26 HG LEU 26 2.255 -2.707 0.733 188 1HD1 LEU 26 1HD1 LEU 26 0.571 -4.475 0.970 189 2HD1 LEU 26 2HD1 LEU 26 1.683 -5.431 1.972 190 3HD1 LEU 26 3HD1 LEU 26 1.083 -3.873 2.549 191 1HD2 LEU 26 1HD2 LEU 26 4.080 -4.547 2.353 192 2HD2 LEU 26 2HD2 LEU 26 4.557 -3.012 1.592 193 3HD2 LEU 26 3HD2 LEU 26 3.374 -3.029 2.905 194 H THR 27 H THR 27 4.817 -5.704 -2.523 195 HA THR 27 HA THR 27 2.991 -7.608 -3.673 196 HB THR 27 HB THR 27 5.618 -6.590 -4.799 197 HG1 THR 27 1HG THR 27 2.981 -5.545 -4.751 198 1HG2 THR 27 1HG2 THR 27 3.067 -7.644 -6.133 199 2HG2 THR 27 2HG2 THR 27 4.462 -6.934 -6.970 200 3HG2 THR 27 3HG2 THR 27 4.639 -8.472 -6.111 201 H LYS 28 H LYS 28 3.393 -9.075 -1.818 202 HA LYS 28 HA LYS 28 5.022 -11.375 -2.646 203 1HB LYS 28 2HB LYS 28 5.118 -10.199 0.175 204 2HB LYS 28 3HB LYS 28 5.878 -11.709 -0.335 205 1HG LYS 28 2HG LYS 28 6.592 -8.950 -1.401 206 2HG LYS 28 3HG LYS 28 7.406 -9.730 -0.070 207 1HD LYS 28 2HD LYS 28 8.258 -11.499 -1.456 208 2HD LYS 28 3HD LYS 28 7.218 -11.034 -2.823 209 1HE LYS 28 2HE LYS 28 8.353 -8.926 -3.116 210 2HE LYS 28 3HE LYS 28 9.347 -9.181 -1.667 211 1HZ LYS 28 1HZ LYS 28 9.430 -10.760 -4.149 212 2HZ LYS 28 2HZ LYS 28 10.533 -9.639 -3.665 213 3HZ LYS 28 3HZ LYS 28 10.366 -11.038 -2.816 214 H HIS 29 H HIS 29 2.762 -9.992 -0.162 215 HA HIS 29 HA HIS 29 1.562 -12.539 0.362 216 1HB HIS 29 2HB HIS 29 -0.052 -11.446 1.646 217 2HB HIS 29 3HB HIS 29 1.518 -10.723 1.979 218 HD1 HIS 29 1HD HIS 29 -1.886 -9.913 0.438 219 HD2 HIS 29 2HD HIS 29 1.753 -8.089 1.505 220 HE1 HIS 29 1HE HIS 29 -2.283 -7.409 0.373 221 H ARG 30 H ARG 30 0.447 -13.657 -1.135 222 HA ARG 30 HA ARG 30 -0.144 -12.925 -3.675 223 1HB ARG 30 2HB ARG 30 -1.643 -14.940 -1.948 224 2HB ARG 30 3HB ARG 30 -1.840 -14.782 -3.698 225 1HG ARG 30 2HG ARG 30 0.586 -15.225 -4.020 226 2HG ARG 30 3HG ARG 30 0.755 -15.519 -2.275 227 1HD ARG 30 2HD ARG 30 -0.910 -17.338 -2.405 228 2HD ARG 30 3HD ARG 30 -1.160 -16.994 -4.137 229 HE ARG 30 HE ARG 30 1.603 -17.510 -3.666 230 1HH1 ARG 30 2HH2 ARG 30 -1.499 -19.172 -3.761 231 2HH1 ARG 30 1HH2 ARG 30 -0.869 -20.700 -4.290 232 1HH2 ARG 30 2HH1 ARG 30 2.502 -19.533 -4.374 233 2HH2 ARG 30 1HH1 ARG 30 1.476 -20.904 -4.636 234 H GLY 31 H GLY 31 -2.245 -12.254 -0.926 235 1HA GLY 31 2HA GLY 31 -4.664 -11.680 -2.230 236 2HA GLY 31 1HA GLY 31 -4.082 -10.907 -0.749 237 H ILE 32 H ILE 32 -1.661 -9.729 -2.126 238 HA ILE 32 HA ILE 32 -3.003 -7.473 -3.468 239 HB ILE 32 HB ILE 32 -0.548 -7.770 -1.964 240 1HG1 ILE 32 2HG1 ILE 32 -1.873 -5.368 -3.314 241 2HG1 ILE 32 3HG1 ILE 32 -2.347 -6.053 -1.749 242 1HG2 ILE 32 1HG2 ILE 32 0.980 -6.441 -3.358 243 2HG2 ILE 32 2HG2 ILE 32 0.690 -8.020 -4.049 244 3HG2 ILE 32 3HG2 ILE 32 -0.123 -6.589 -4.734 245 1HD1 ILE 32 1HD1 ILE 32 0.177 -4.554 -2.446 246 2HD1 ILE 32 2HD1 ILE 32 -0.975 -4.278 -1.132 247 3HD1 ILE 32 3HD1 ILE 32 0.123 -5.663 -1.055 248 H LEU 33 H LEU 33 -3.259 -7.485 -5.587 249 HA LEU 33 HA LEU 33 -1.705 -9.457 -7.212 250 1HB LEU 33 2HB LEU 33 -3.273 -9.207 -8.933 251 2HB LEU 33 3HB LEU 33 -4.057 -9.774 -7.473 252 HG LEU 33 HG LEU 33 -4.142 -6.807 -8.013 253 1HD1 LEU 33 1HD1 LEU 33 -4.670 -7.708 -10.220 254 2HD1 LEU 33 2HD1 LEU 33 -5.762 -8.915 -9.507 255 3HD1 LEU 33 3HD1 LEU 33 -6.188 -7.201 -9.441 256 1HD2 LEU 33 1HD2 LEU 33 -5.186 -8.092 -5.986 257 2HD2 LEU 33 2HD2 LEU 33 -6.221 -6.948 -6.861 258 3HD2 LEU 33 3HD2 LEU 33 -6.362 -8.696 -7.146 259 H TYR 34 H TYR 34 -2.014 -5.997 -6.448 260 HA TYR 34 HA TYR 34 0.470 -5.713 -7.905 261 1HB TYR 34 2HB TYR 34 -1.328 -5.269 -9.664 262 2HB TYR 34 3HB TYR 34 -1.889 -3.959 -8.625 263 HD1 TYR 34 HD1 TYR 34 -1.480 -1.927 -9.703 264 HD2 TYR 34 HD2 TYR 34 1.510 -5.039 -9.880 265 HE1 TYR 34 HE1 TYR 34 -0.089 -0.525 -11.190 266 HE2 TYR 34 HE2 TYR 34 2.935 -3.585 -11.270 267 HH TYR 34 HH TYR 34 3.139 -1.524 -12.308 268 H CYS 35 H CYS 35 1.535 -3.666 -7.387 269 HA CYS 35 HA CYS 35 0.245 -1.899 -5.461 270 1HB CYS 35 2HB CYS 35 1.671 -3.414 -3.997 271 2HB CYS 35 3HB CYS 35 3.068 -2.974 -5.001 272 HG CYS 35 HG CYS 35 3.197 -1.659 -2.808 273 H SER 36 H SER 36 0.933 0.245 -5.934 274 HA SER 36 HA SER 36 3.584 0.551 -7.137 275 1HB SER 36 2HB SER 36 1.174 1.929 -8.384 276 2HB SER 36 3HB SER 36 2.883 2.168 -8.811 277 HG SER 36 HG SER 36 2.489 -0.415 -8.915 278 H VAL 37 H VAL 37 4.589 1.984 -5.693 279 HA VAL 37 HA VAL 37 2.804 4.029 -4.431 280 HB VAL 37 HB VAL 37 4.127 4.003 -2.504 281 1HG1 VAL 37 1HG1 VAL 37 3.888 1.837 -1.655 282 2HG1 VAL 37 2HG1 VAL 37 2.636 1.909 -2.916 283 3HG1 VAL 37 3HG1 VAL 37 4.167 1.061 -3.221 284 1HG2 VAL 37 1HG2 VAL 37 6.358 3.889 -3.448 285 2HG2 VAL 37 2HG2 VAL 37 6.143 2.584 -2.260 286 3HG2 VAL 37 3HG2 VAL 37 6.085 2.204 -3.990 287 H ALA 38 H ALA 38 3.548 6.142 -4.139 288 HA ALA 38 HA ALA 38 5.979 6.922 -5.641 289 1HB ALA 38 1HB ALA 38 3.267 8.119 -6.308 290 2HB ALA 38 2HB ALA 38 4.857 8.631 -6.917 291 3HB ALA 38 3HB ALA 38 4.215 7.029 -7.362 292 H LEU 39 H LEU 39 6.991 8.545 -4.776 293 HA LEU 39 HA LEU 39 6.162 9.668 -2.243 294 1HB LEU 39 2HB LEU 39 8.287 10.752 -2.201 295 2HB LEU 39 3HB LEU 39 8.456 9.082 -2.720 296 HG LEU 39 HG LEU 39 8.311 10.243 -5.181 297 1HD1 LEU 39 1HD1 LEU 39 8.103 12.575 -4.255 298 2HD1 LEU 39 2HD1 LEU 39 9.628 12.340 -3.388 299 3HD1 LEU 39 3HD1 LEU 39 9.604 12.350 -5.162 300 1HD2 LEU 39 1HD2 LEU 39 10.754 10.152 -5.226 301 2HD2 LEU 39 2HD2 LEU 39 10.800 10.163 -3.452 302 3HD2 LEU 39 3HD2 LEU 39 10.112 8.770 -4.316 303 H ALA 40 H ALA 40 5.956 10.698 -5.563 304 HA ALA 40 HA ALA 40 5.773 13.381 -5.591 305 1HB ALA 40 1HB ALA 40 5.413 11.935 -7.545 306 2HB ALA 40 2HB ALA 40 3.811 11.468 -6.926 307 3HB ALA 40 3HB ALA 40 4.125 13.148 -7.412 308 H THR 41 H THR 41 3.213 11.268 -4.282 309 HA THR 41 HA THR 41 2.353 13.520 -2.614 310 HB THR 41 HB THR 41 0.924 13.789 -4.444 311 HG1 THR 41 1HG THR 41 -0.304 12.605 -2.196 312 1HG2 THR 41 1HG2 THR 41 -0.091 10.972 -4.105 313 2HG2 THR 41 2HG2 THR 41 -0.719 12.192 -5.226 314 3HG2 THR 41 3HG2 THR 41 0.916 11.542 -5.461 315 H ASN 42 H ASN 42 3.908 11.383 -2.234 316 HA ASN 42 HA ASN 42 4.236 9.332 -1.124 317 1HB ASN 42 2HB ASN 42 2.805 10.943 1.006 318 2HB ASN 42 3HB ASN 42 3.967 9.635 1.261 319 1HD2 ASN 42 1HD2 ASN 42 6.342 10.036 0.415 320 2HD2 ASN 42 2HD2 ASN 42 6.815 11.713 0.407 321 H LYS 43 H LYS 43 2.514 8.511 -2.723 322 HA LYS 43 HA LYS 43 0.065 7.554 -1.295 323 1HB LYS 43 2HB LYS 43 -1.028 7.493 -3.428 324 2HB LYS 43 3HB LYS 43 -0.478 9.106 -3.044 325 1HG LYS 43 2HG LYS 43 1.122 9.108 -4.786 326 2HG LYS 43 3HG LYS 43 1.323 7.366 -4.754 327 1HD LYS 43 2HD LYS 43 0.174 7.986 -6.793 328 2HD LYS 43 3HD LYS 43 -0.821 6.957 -5.756 329 1HE LYS 43 2HE LYS 43 -1.995 9.073 -4.928 330 2HE LYS 43 3HE LYS 43 -1.129 9.971 -6.179 331 1HZ LYS 43 1HZ LYS 43 -2.483 9.069 -7.776 332 2HZ LYS 43 2HZ LYS 43 -2.571 7.595 -7.032 333 3HZ LYS 43 3HZ LYS 43 -3.509 8.724 -6.504 334 H ALA 44 H ALA 44 -0.626 5.441 -1.620 335 HA ALA 44 HA ALA 44 1.122 3.615 -3.175 336 1HB ALA 44 1HB ALA 44 0.877 1.949 -1.424 337 2HB ALA 44 2HB ALA 44 1.704 3.368 -0.805 338 3HB ALA 44 3HB ALA 44 -0.005 3.102 -0.394 339 H HIS 45 H HIS 45 -0.043 2.822 -4.816 340 HA HIS 45 HA HIS 45 -2.970 2.697 -4.699 341 1HB HIS 45 2HB HIS 45 -2.143 3.953 -6.535 342 2HB HIS 45 3HB HIS 45 -0.777 2.874 -6.785 343 HD1 HIS 45 1HD HIS 45 -1.620 3.006 -9.330 344 HD2 HIS 45 2HD HIS 45 -3.749 0.652 -6.562 345 HE1 HIS 45 1HE HIS 45 -2.853 1.244 -10.666 346 H ILE 46 H ILE 46 -3.248 0.862 -3.531 347 HA ILE 46 HA ILE 46 -1.625 -1.593 -4.115 348 HB ILE 46 HB ILE 46 -3.284 -0.610 -1.796 349 1HG1 ILE 46 2HG1 ILE 46 -1.445 -1.725 -0.500 350 2HG1 ILE 46 3HG1 ILE 46 -0.666 -2.179 -2.027 351 1HG2 ILE 46 1HG2 ILE 46 -4.425 -2.644 -2.275 352 2HG2 ILE 46 2HG2 ILE 46 -2.895 -3.526 -2.489 353 3HG2 ILE 46 3HG2 ILE 46 -3.354 -2.908 -0.890 354 1HD1 ILE 46 1HD1 ILE 46 -1.223 0.677 -1.147 355 2HD1 ILE 46 2HD1 ILE 46 0.312 -0.196 -0.926 356 3HD1 ILE 46 3HD1 ILE 46 -0.271 0.156 -2.562 357 H LYS 47 H LYS 47 -2.666 -3.317 -5.143 358 HA LYS 47 HA LYS 47 -5.612 -3.041 -5.513 359 1HB LYS 47 2HB LYS 47 -3.823 -4.418 -7.509 360 2HB LYS 47 3HB LYS 47 -5.539 -3.967 -7.542 361 1HG LYS 47 2HG LYS 47 -4.634 -1.500 -7.339 362 2HG LYS 47 3HG LYS 47 -3.119 -2.136 -7.878 363 1HD LYS 47 2HD LYS 47 -5.841 -2.114 -9.260 364 2HD LYS 47 3HD LYS 47 -4.317 -1.485 -9.870 365 1HE LYS 47 2HE LYS 47 -4.497 -3.283 -11.235 366 2HE LYS 47 3HE LYS 47 -3.646 -4.077 -9.917 367 1HZ LYS 47 1HZ LYS 47 -6.574 -4.221 -10.505 368 2HZ LYS 47 2HZ LYS 47 -5.474 -5.415 -10.554 369 3HZ LYS 47 3HZ LYS 47 -6.005 -4.767 -9.147 370 H TYR 48 H TYR 48 -6.539 -4.549 -4.246 371 HA TYR 48 HA TYR 48 -5.152 -7.143 -3.989 372 1HB TYR 48 2HB TYR 48 -5.704 -7.302 -1.676 373 2HB TYR 48 3HB TYR 48 -4.701 -5.902 -1.960 374 HD1 TYR 48 HD1 TYR 48 -5.246 -4.019 -0.758 375 HD2 TYR 48 HD2 TYR 48 -8.327 -6.903 -1.453 376 HE1 TYR 48 HE1 TYR 48 -6.813 -2.633 0.555 377 HE2 TYR 48 HE2 TYR 48 -9.908 -5.534 -0.145 378 HH TYR 48 HH TYR 48 -10.281 -3.450 0.788 379 H ASP 49 H ASP 49 -6.474 -8.983 -3.636 380 HA ASP 49 HA ASP 49 -9.148 -8.759 -4.812 381 1HB ASP 49 2HB ASP 49 -7.575 -11.096 -3.680 382 2HB ASP 49 3HB ASP 49 -9.227 -11.229 -4.302 383 HA PRO 50 HA PRO 50 -10.525 -7.831 -0.592 384 1HB PRO 50 2HB PRO 50 -13.026 -6.909 -1.074 385 2HB PRO 50 3HB PRO 50 -11.597 -6.047 -1.707 386 1HG PRO 50 2HG PRO 50 -13.281 -8.076 -3.198 387 2HG PRO 50 3HG PRO 50 -12.871 -6.410 -3.719 388 1HD PRO 50 2HD PRO 50 -11.395 -8.532 -4.550 389 2HD PRO 50 3HD PRO 50 -10.614 -6.989 -4.086 390 H GLU 51 H GLU 51 -10.216 -10.307 -0.595 391 HA GLU 51 HA GLU 51 -12.789 -11.691 0.042 392 1HB GLU 51 2HB GLU 51 -10.535 -12.855 -1.687 393 2HB GLU 51 3HB GLU 51 -12.084 -13.598 -1.263 394 1HG GLU 51 2HG GLU 51 -13.223 -11.708 -2.478 395 2HG GLU 51 3HG GLU 51 -11.631 -11.099 -2.967 396 H ILE 52 H ILE 52 -9.346 -12.589 -0.105 397 HA ILE 52 HA ILE 52 -9.482 -13.697 2.613 398 HB ILE 52 HB ILE 52 -7.350 -14.633 2.187 399 1HG1 ILE 52 2HG1 ILE 52 -6.168 -12.987 0.859 400 2HG1 ILE 52 3HG1 ILE 52 -6.131 -14.590 0.150 401 1HG2 ILE 52 1HG2 ILE 52 -7.959 -16.186 0.379 402 2HG2 ILE 52 2HG2 ILE 52 -9.308 -15.854 1.476 403 3HG2 ILE 52 3HG2 ILE 52 -9.272 -15.105 -0.126 404 1HD1 ILE 52 1HD1 ILE 52 -7.963 -13.837 -1.468 405 2HD1 ILE 52 2HD1 ILE 52 -7.657 -12.182 -0.880 406 3HD1 ILE 52 3HD1 ILE 52 -6.371 -13.104 -1.646 407 H ILE 53 H ILE 53 -8.029 -10.978 0.951 408 HA ILE 53 HA ILE 53 -6.634 -10.051 3.429 409 HB ILE 53 HB ILE 53 -5.241 -10.484 1.412 410 1HG1 ILE 53 2HG1 ILE 53 -4.307 -8.079 1.125 411 2HG1 ILE 53 3HG1 ILE 53 -5.419 -7.615 2.398 412 1HG2 ILE 53 1HG2 ILE 53 -5.404 -9.057 -0.538 413 2HG2 ILE 53 2HG2 ILE 53 -6.830 -10.054 -0.362 414 3HG2 ILE 53 3HG2 ILE 53 -6.898 -8.325 0.075 415 1HD1 ILE 53 1HD1 ILE 53 -3.288 -9.807 2.523 416 2HD1 ILE 53 2HD1 ILE 53 -3.186 -8.200 3.258 417 3HD1 ILE 53 3HD1 ILE 53 -4.381 -9.384 3.856 418 H GLY 54 H GLY 54 -6.906 -7.789 3.965 419 1HA GLY 54 2HA GLY 54 -9.218 -6.393 2.758 420 2HA GLY 54 1HA GLY 54 -9.270 -6.804 4.489 421 HA PRO 55 HA PRO 55 -6.990 -2.773 3.409 422 1HB PRO 55 2HB PRO 55 -8.584 -0.978 4.748 423 2HB PRO 55 3HB PRO 55 -8.892 -1.530 3.079 424 1HG PRO 55 2HG PRO 55 -10.162 -2.556 5.623 425 2HG PRO 55 3HG PRO 55 -10.965 -2.125 4.088 426 1HD PRO 55 2HD PRO 55 -10.338 -4.704 4.731 427 2HD PRO 55 3HD PRO 55 -10.245 -4.131 3.050 428 H ARG 56 H ARG 56 -8.490 -3.885 6.464 429 HA ARG 56 HA ARG 56 -6.751 -2.559 8.264 430 1HB ARG 56 2HB ARG 56 -8.143 -5.251 8.564 431 2HB ARG 56 3HB ARG 56 -7.362 -4.329 9.857 432 1HG ARG 56 2HG ARG 56 -8.927 -2.384 9.304 433 2HG ARG 56 3HG ARG 56 -9.773 -3.463 8.188 434 1HD ARG 56 2HD ARG 56 -10.975 -3.426 10.262 435 2HD ARG 56 3HD ARG 56 -10.226 -5.032 10.074 436 HE ARG 56 HE ARG 56 -8.446 -3.346 11.521 437 1HH1 ARG 56 2HH2 ARG 56 -11.573 -4.899 11.950 438 2HH1 ARG 56 1HH2 ARG 56 -11.471 -5.027 13.679 439 1HH2 ARG 56 2HH1 ARG 56 -8.246 -3.504 13.822 440 2HH2 ARG 56 1HH1 ARG 56 -9.516 -4.206 14.766 441 H ASP 57 H ASP 57 -6.333 -5.677 6.479 442 HA ASP 57 HA ASP 57 -3.960 -6.404 7.893 443 1HB ASP 57 2HB ASP 57 -5.267 -8.027 6.564 444 2HB ASP 57 3HB ASP 57 -4.786 -7.195 5.073 445 H ILE 58 H ILE 58 -4.487 -5.000 4.650 446 HA ILE 58 HA ILE 58 -1.898 -4.318 3.924 447 HB ILE 58 HB ILE 58 -4.529 -2.835 3.549 448 1HG1 ILE 58 2HG1 ILE 58 -4.339 -5.077 2.489 449 2HG1 ILE 58 3HG1 ILE 58 -4.541 -3.735 1.364 450 1HG2 ILE 58 1HG2 ILE 58 -1.839 -2.101 2.376 451 2HG2 ILE 58 2HG2 ILE 58 -3.389 -1.645 1.631 452 3HG2 ILE 58 3HG2 ILE 58 -2.987 -1.076 3.254 453 1HD1 ILE 58 1HD1 ILE 58 -1.969 -5.251 1.947 454 2HD1 ILE 58 2HD1 ILE 58 -2.919 -5.224 0.448 455 3HD1 ILE 58 3HD1 ILE 58 -2.036 -3.780 0.960 456 H ILE 59 H ILE 59 -4.082 -2.329 5.922 457 HA ILE 59 HA ILE 59 -2.305 -0.246 6.401 458 HB ILE 59 HB ILE 59 -4.699 -1.321 7.821 459 1HG1 ILE 59 2HG1 ILE 59 -4.205 1.422 6.623 460 2HG1 ILE 59 3HG1 ILE 59 -4.667 0.029 5.639 461 1HG2 ILE 59 1HG2 ILE 59 -3.409 -0.515 9.720 462 2HG2 ILE 59 2HG2 ILE 59 -3.005 0.985 8.868 463 3HG2 ILE 59 3HG2 ILE 59 -4.674 0.652 9.362 464 1HD1 ILE 59 1HD1 ILE 59 -6.652 1.187 6.147 465 2HD1 ILE 59 2HD1 ILE 59 -6.675 -0.301 7.109 466 3HD1 ILE 59 3HD1 ILE 59 -6.292 1.253 7.887 467 H HIS 60 H HIS 60 -2.805 -3.171 8.555 468 HA HIS 60 HA HIS 60 -0.729 -2.242 10.323 469 1HB HIS 60 2HB HIS 60 -0.794 -4.359 11.407 470 2HB HIS 60 3HB HIS 60 -2.397 -3.685 11.161 471 HD1 HIS 60 1HD HIS 60 -0.656 -6.104 8.541 472 HD2 HIS 60 2HD HIS 60 -3.625 -5.908 11.536 473 HE1 HIS 60 1HE HIS 60 -1.731 -8.368 8.646 474 H THR 61 H THR 61 -0.716 -4.252 7.479 475 HA THR 61 HA THR 61 1.907 -5.343 7.794 476 HB THR 61 HB THR 61 0.024 -5.072 5.424 477 HG1 THR 61 1HG THR 61 -0.740 -6.976 6.210 478 1HG2 THR 61 1HG2 THR 61 2.445 -6.915 5.777 479 2HG2 THR 61 2HG2 THR 61 1.254 -7.019 4.468 480 3HG2 THR 61 3HG2 THR 61 2.315 -5.603 4.583 481 H ILE 62 H ILE 62 0.667 -2.403 6.111 482 HA ILE 62 HA ILE 62 3.334 -1.578 5.278 483 HB ILE 62 HB ILE 62 0.708 -0.104 5.520 484 1HG1 ILE 62 2HG1 ILE 62 2.366 -0.926 3.089 485 2HG1 ILE 62 3HG1 ILE 62 1.031 -1.888 3.741 486 1HG2 ILE 62 1HG2 ILE 62 2.545 1.528 5.878 487 2HG2 ILE 62 2HG2 ILE 62 3.392 0.897 4.449 488 3HG2 ILE 62 3HG2 ILE 62 1.850 1.755 4.289 489 1HD1 ILE 62 1HD1 ILE 62 0.184 -0.620 1.911 490 2HD1 ILE 62 2HD1 ILE 62 -0.495 0.045 3.417 491 3HD1 ILE 62 3HD1 ILE 62 0.816 0.898 2.562 492 H GLU 63 H GLU 63 1.203 -0.732 8.098 493 HA GLU 63 HA GLU 63 2.855 1.109 9.307 494 1HB GLU 63 2HB GLU 63 0.538 -0.339 10.033 495 2HB GLU 63 3HB GLU 63 1.702 -0.735 11.300 496 1HG GLU 63 2HG GLU 63 1.021 2.071 10.333 497 2HG GLU 63 3HG GLU 63 0.282 1.284 11.739 498 H SER 64 H SER 64 3.074 -2.431 9.567 499 HA SER 64 HA SER 64 5.223 -2.696 11.306 500 1HB SER 64 2HB SER 64 4.728 -4.328 8.780 501 2HB SER 64 3HB SER 64 5.690 -4.820 10.182 502 HG SER 64 HG SER 64 2.896 -4.218 10.205 503 H LEU 65 H LEU 65 5.380 -1.440 8.007 504 HA LEU 65 HA LEU 65 8.321 -1.686 7.863 505 1HB LEU 65 2HB LEU 65 6.463 -0.327 5.898 506 2HB LEU 65 3HB LEU 65 8.108 -0.906 5.625 507 HG LEU 65 HG LEU 65 5.630 -2.613 6.116 508 1HD1 LEU 65 1HD1 LEU 65 7.347 -2.268 3.633 509 2HD1 LEU 65 2HD1 LEU 65 5.917 -3.314 3.815 510 3HD1 LEU 65 3HD1 LEU 65 5.740 -1.555 3.897 511 1HD2 LEU 65 1HD2 LEU 65 7.649 -3.715 7.089 512 2HD2 LEU 65 2HD2 LEU 65 7.026 -4.565 5.688 513 3HD2 LEU 65 3HD2 LEU 65 8.476 -3.542 5.525 514 H GLY 66 H GLY 66 6.051 0.526 9.148 515 1HA GLY 66 2HA GLY 66 6.541 2.369 10.382 516 2HA GLY 66 1HA GLY 66 8.174 2.442 9.709 517 H PHE 67 H PHE 67 4.854 2.568 8.232 518 HA PHE 67 HA PHE 67 5.234 5.397 7.540 519 1HB PHE 67 2HB PHE 67 4.228 3.358 5.518 520 2HB PHE 67 3HB PHE 67 4.490 5.077 5.257 521 HD1 PHE 67 1HD PHE 67 5.805 1.914 4.557 522 HD2 PHE 67 2HD PHE 67 7.083 5.789 5.920 523 HE1 PHE 67 1HE PHE 67 8.045 1.520 3.584 524 HE2 PHE 67 2HE PHE 67 9.347 5.376 4.999 525 HZ PHE 67 HZ PHE 67 9.842 3.240 3.846 526 H GLU 68 H GLU 68 3.090 6.427 7.355 527 HA GLU 68 HA GLU 68 1.031 4.945 8.848 528 1HB GLU 68 2HB GLU 68 1.071 7.839 7.989 529 2HB GLU 68 3HB GLU 68 0.108 7.083 9.233 530 1HG GLU 68 2HG GLU 68 2.071 6.816 10.652 531 2HG GLU 68 3HG GLU 68 3.144 7.389 9.360 532 HA PRO 69 HA PRO 69 -0.954 4.796 4.636 533 1HB PRO 69 2HB PRO 69 -2.383 2.508 4.866 534 2HB PRO 69 3HB PRO 69 -0.613 2.504 4.620 535 1HG PRO 69 2HG PRO 69 -2.096 2.207 7.229 536 2HG PRO 69 3HG PRO 69 -0.756 1.205 6.586 537 1HD PRO 69 2HD PRO 69 -0.311 3.201 8.374 538 2HD PRO 69 3HD PRO 69 0.813 2.802 7.037 539 H SER 70 H SER 70 -2.175 6.716 5.077 540 HA SER 70 HA SER 70 -4.777 6.457 6.482 541 1HB SER 70 2HB SER 70 -3.653 8.630 4.672 542 2HB SER 70 3HB SER 70 -5.202 8.692 5.533 543 HG SER 70 HG SER 70 -3.636 8.168 7.438 544 H LEU 71 H LEU 71 -6.350 5.270 5.471 545 HA LEU 71 HA LEU 71 -6.406 4.688 2.631 546 1HB LEU 71 2HB LEU 71 -8.511 3.597 3.145 547 2HB LEU 71 3HB LEU 71 -7.236 3.088 4.240 548 HG LEU 71 HG LEU 71 -8.763 5.382 5.331 549 1HD1 LEU 71 1HD1 LEU 71 -10.616 4.365 4.056 550 2HD1 LEU 71 2HD1 LEU 71 -10.262 2.785 4.785 551 3HD1 LEU 71 3HD1 LEU 71 -10.830 4.129 5.798 552 1HD2 LEU 71 1HD2 LEU 71 -8.428 2.572 6.426 553 2HD2 LEU 71 2HD2 LEU 71 -7.212 3.852 6.635 554 3HD2 LEU 71 3HD2 LEU 71 -8.836 4.044 7.321 555 H VAL 72 H VAL 72 -6.174 7.220 2.293 556 HA VAL 72 HA VAL 72 -8.498 8.834 2.619 557 HB VAL 72 HB VAL 72 -6.343 9.171 0.523 558 1HG1 VAL 72 1HG1 VAL 72 -6.882 11.591 0.736 559 2HG1 VAL 72 2HG1 VAL 72 -8.285 10.669 0.195 560 3HG1 VAL 72 3HG1 VAL 72 -8.178 11.198 1.884 561 1HG2 VAL 72 1HG2 VAL 72 -5.289 10.731 2.263 562 2HG2 VAL 72 2HG2 VAL 72 -6.439 10.088 3.450 563 3HG2 VAL 72 3HG2 VAL 72 -5.219 9.029 2.712 564 H LYS 73 H LYS 73 -7.185 7.310 -0.380 565 HA LYS 73 HA LYS 73 -8.090 6.780 -2.347 566 1HB LYS 73 2HB LYS 73 -9.671 5.533 -0.835 567 2HB LYS 73 3HB LYS 73 -10.792 6.882 -0.992 568 1HG LYS 73 2HG LYS 73 -10.776 6.425 -3.549 569 2HG LYS 73 3HG LYS 73 -9.868 4.966 -3.132 570 1HD LYS 73 2HD LYS 73 -11.962 4.074 -2.940 571 2HD LYS 73 3HD LYS 73 -11.804 4.709 -1.302 572 1HE LYS 73 2HE LYS 73 -13.346 5.917 -3.658 573 2HE LYS 73 3HE LYS 73 -14.006 5.277 -2.147 574 1HZ LYS 73 1HZ LYS 73 -12.542 7.789 -2.561 575 2HZ LYS 73 2HZ LYS 73 -14.054 7.582 -1.971 576 3HZ LYS 73 3HZ LYS 73 -12.803 7.174 -1.042 577 H ILE 74 H ILE 74 -8.867 7.846 -4.254 578 HA ILE 74 HA ILE 74 -9.461 10.673 -4.066 579 HB ILE 74 HB ILE 74 -9.920 10.565 -6.437 580 1HG1 ILE 74 2HG1 ILE 74 -9.373 8.211 -7.539 581 2HG1 ILE 74 3HG1 ILE 74 -10.033 7.561 -6.038 582 1HG2 ILE 74 1HG2 ILE 74 -7.587 10.623 -5.594 583 2HG2 ILE 74 2HG2 ILE 74 -7.491 8.857 -5.768 584 3HG2 ILE 74 3HG2 ILE 74 -7.733 9.882 -7.194 585 1HD1 ILE 74 1HD1 ILE 74 -12.179 8.776 -6.510 586 2HD1 ILE 74 2HD1 ILE 74 -11.436 9.494 -7.951 587 3HD1 ILE 74 3HD1 ILE 74 -11.705 7.745 -7.862 588 H GLU 75 H GLU 75 -11.588 11.717 -4.558 589 HA GLU 75 HA GLU 75 -13.927 10.272 -4.905 590 1HB GLU 75 2HB GLU 75 -13.276 10.130 -2.239 591 2HB GLU 75 3HB GLU 75 -14.013 11.728 -2.258 592 1HG GLU 75 2HG GLU 75 -16.109 10.845 -3.021 593 2HG GLU 75 3HG GLU 75 -15.393 9.290 -3.469 Start of MODEL 13 1 1H MET 1 H1 MET 1 -14.661 -12.010 -5.615 2 2H MET 1 H2 MET 1 -15.776 -12.238 -4.558 3 3H MET 1 H3 MET 1 -15.995 -12.863 -6.115 4 HA MET 1 HA MET 1 -17.275 -10.932 -6.237 5 1HB MET 1 2HB MET 1 -16.534 -10.147 -3.939 6 2HB MET 1 3HB MET 1 -15.080 -9.496 -4.692 7 1HG MET 1 2HG MET 1 -16.226 -7.607 -4.802 8 2HG MET 1 3HG MET 1 -16.964 -8.275 -6.250 9 1HE MET 1 1HE MET 1 -19.408 -9.441 -6.200 10 2HE MET 1 2HE MET 1 -19.036 -10.469 -4.785 11 3HE MET 1 3HE MET 1 -20.468 -9.422 -4.772 12 H GLY 2 H GLY 2 -13.688 -10.403 -6.262 13 1HA GLY 2 2HA GLY 2 -12.722 -10.381 -8.668 14 2HA GLY 2 1HA GLY 2 -13.897 -9.070 -8.921 15 H ASP 3 H ASP 3 -11.444 -8.084 -9.248 16 HA ASP 3 HA ASP 3 -10.211 -7.379 -6.707 17 1HB ASP 3 2HB ASP 3 -8.510 -6.365 -8.063 18 2HB ASP 3 3HB ASP 3 -8.869 -7.989 -8.648 19 H GLY 4 H GLY 4 -9.873 -4.680 -8.652 20 1HA GLY 4 2HA GLY 4 -11.571 -2.767 -8.591 21 2HA GLY 4 1HA GLY 4 -11.688 -3.144 -6.853 22 H VAL 5 H VAL 5 -10.668 -1.068 -6.287 23 HA VAL 5 HA VAL 5 -7.827 -1.401 -6.032 24 HB VAL 5 HB VAL 5 -7.834 -0.317 -8.226 25 1HG1 VAL 5 1HG1 VAL 5 -9.443 1.952 -6.975 26 2HG1 VAL 5 2HG1 VAL 5 -8.749 1.920 -8.604 27 3HG1 VAL 5 3HG1 VAL 5 -10.047 0.795 -8.180 28 1HG2 VAL 5 1HG2 VAL 5 -6.402 1.545 -7.758 29 2HG2 VAL 5 2HG2 VAL 5 -7.078 1.752 -6.133 30 3HG2 VAL 5 3HG2 VAL 5 -6.115 0.307 -6.517 31 H LEU 6 H LEU 6 -7.089 -0.183 -4.219 32 HA LEU 6 HA LEU 6 -8.967 1.778 -3.056 33 1HB LEU 6 2HB LEU 6 -7.595 -0.438 -1.464 34 2HB LEU 6 3HB LEU 6 -8.276 1.041 -0.788 35 HG LEU 6 HG LEU 6 -10.482 0.268 -2.074 36 1HD1 LEU 6 1HD1 LEU 6 -9.468 -1.811 -3.071 37 2HD1 LEU 6 2HD1 LEU 6 -9.128 -2.396 -1.438 38 3HD1 LEU 6 3HD1 LEU 6 -10.801 -2.166 -1.969 39 1HD2 LEU 6 1HD2 LEU 6 -11.214 -0.813 0.030 40 2HD2 LEU 6 2HD2 LEU 6 -9.527 -0.872 0.581 41 3HD2 LEU 6 3HD2 LEU 6 -10.327 0.691 0.321 42 H GLU 7 H GLU 7 -7.911 3.539 -2.254 43 HA GLU 7 HA GLU 7 -4.999 3.704 -2.762 44 1HB GLU 7 2HB GLU 7 -7.059 5.921 -2.590 45 2HB GLU 7 3HB GLU 7 -5.321 6.082 -2.913 46 1HG GLU 7 2HG GLU 7 -5.659 4.603 -4.952 47 2HG GLU 7 3HG GLU 7 -7.405 4.760 -4.696 48 H LEU 8 H LEU 8 -3.659 4.508 -1.214 49 HA LEU 8 HA LEU 8 -4.695 5.120 1.503 50 1HB LEU 8 2HB LEU 8 -2.818 3.793 2.435 51 2HB LEU 8 3HB LEU 8 -4.197 2.869 1.861 52 HG LEU 8 HG LEU 8 -1.922 3.304 -0.057 53 1HD1 LEU 8 1HD1 LEU 8 -0.725 1.353 0.852 54 2HD1 LEU 8 2HD1 LEU 8 -0.775 2.681 2.019 55 3HD1 LEU 8 3HD1 LEU 8 -1.862 1.288 2.219 56 1HD2 LEU 8 1HD2 LEU 8 -4.042 2.031 -0.715 57 2HD2 LEU 8 2HD2 LEU 8 -2.557 1.109 -0.855 58 3HD2 LEU 8 3HD2 LEU 8 -3.635 0.845 0.530 59 H VAL 9 H VAL 9 -3.966 7.000 2.065 60 HA VAL 9 HA VAL 9 -1.657 8.264 0.734 61 HB VAL 9 HB VAL 9 -3.382 9.189 3.073 62 1HG1 VAL 9 1HG1 VAL 9 -2.424 11.413 2.539 63 2HG1 VAL 9 2HG1 VAL 9 -1.146 10.269 2.976 64 3HG1 VAL 9 3HG1 VAL 9 -1.417 10.685 1.270 65 1HG2 VAL 9 1HG2 VAL 9 -4.776 8.981 1.068 66 2HG2 VAL 9 2HG2 VAL 9 -4.454 10.687 1.396 67 3HG2 VAL 9 3HG2 VAL 9 -3.565 9.856 0.103 68 H VAL 10 H VAL 10 0.346 7.823 1.544 69 HA VAL 10 HA VAL 10 0.594 6.442 4.167 70 HB VAL 10 HB VAL 10 0.447 4.741 2.595 71 1HG1 VAL 10 1HG1 VAL 10 2.152 4.585 0.665 72 2HG1 VAL 10 2HG1 VAL 10 0.714 5.587 0.483 73 3HG1 VAL 10 3HG1 VAL 10 2.264 6.355 0.822 74 1HG2 VAL 10 1HG2 VAL 10 2.157 4.522 4.317 75 2HG2 VAL 10 2HG2 VAL 10 2.522 3.604 2.842 76 3HG2 VAL 10 3HG2 VAL 10 3.394 5.116 3.177 77 H ARG 11 H ARG 11 1.269 8.212 5.212 78 HA ARG 11 HA ARG 11 3.445 9.835 4.061 79 1HB ARG 11 2HB ARG 11 3.210 11.282 5.939 80 2HB ARG 11 3HB ARG 11 1.614 10.952 5.249 81 1HG ARG 11 2HG ARG 11 1.198 9.290 7.060 82 2HG ARG 11 3HG ARG 11 2.801 9.656 7.743 83 1HD ARG 11 2HD ARG 11 2.024 12.079 7.946 84 2HD ARG 11 3HD ARG 11 0.396 11.484 7.517 85 HE ARG 11 HE ARG 11 1.860 10.145 9.738 86 1HH1 ARG 11 2HH2 ARG 11 -0.417 12.723 9.020 87 2HH1 ARG 11 1HH2 ARG 11 -1.231 12.643 10.556 88 1HH2 ARG 11 2HH1 ARG 11 0.728 9.888 11.692 89 2HH2 ARG 11 1HH1 ARG 11 -0.494 11.029 12.165 90 H GLY 12 H GLY 12 5.473 10.105 5.070 91 1HA GLY 12 2HA GLY 12 7.076 9.379 6.788 92 2HA GLY 12 1HA GLY 12 6.448 7.739 6.635 93 H MET 13 H MET 13 6.151 8.087 3.595 94 HA MET 13 HA MET 13 8.699 7.065 2.888 95 1HB MET 13 2HB MET 13 6.592 8.259 1.072 96 2HB MET 13 3HB MET 13 7.904 7.190 0.599 97 1HG MET 13 2HG MET 13 6.860 5.317 1.558 98 2HG MET 13 3HG MET 13 5.781 6.272 2.575 99 1HE MET 13 1HE MET 13 5.251 6.365 -1.997 100 2HE MET 13 2HE MET 13 6.410 7.369 -1.127 101 3HE MET 13 3HE MET 13 6.672 5.606 -1.219 102 H THR 14 H THR 14 10.479 8.324 3.000 103 HA THR 14 HA THR 14 10.439 11.151 2.195 104 HB THR 14 HB THR 14 11.501 10.538 4.260 105 HG1 THR 14 1HG THR 14 13.426 11.657 3.858 106 1HG2 THR 14 1HG2 THR 14 12.392 8.283 3.778 107 2HG2 THR 14 2HG2 THR 14 13.561 8.980 2.633 108 3HG2 THR 14 3HG2 THR 14 13.655 9.370 4.354 109 H CYS 15 H CYS 15 11.904 8.056 0.989 110 HA CYS 15 HA CYS 15 12.755 9.510 -1.468 111 1HB CYS 15 2HB CYS 15 14.998 8.757 -1.222 112 2HB CYS 15 3HB CYS 15 14.549 9.469 0.319 113 H ALA 16 H ALA 16 13.808 7.909 -2.994 114 HA ALA 16 HA ALA 16 11.974 6.139 -4.059 115 1HB ALA 16 1HB ALA 16 13.853 5.237 -5.362 116 2HB ALA 16 2HB ALA 16 13.930 7.007 -5.259 117 3HB ALA 16 3HB ALA 16 15.008 6.010 -4.254 118 H SER 17 H SER 17 14.413 5.461 -1.539 119 HA SER 17 HA SER 17 14.186 2.659 -1.733 120 1HB SER 17 2HB SER 17 16.030 3.852 -0.527 121 2HB SER 17 3HB SER 17 14.895 4.177 0.800 122 HG SER 17 HG SER 17 15.387 1.554 -0.220 123 H CYS 18 H CYS 18 12.143 5.063 -0.115 124 HA CYS 18 HA CYS 18 10.757 3.200 1.602 125 1HB CYS 18 2HB CYS 18 9.970 5.931 0.542 126 2HB CYS 18 3HB CYS 18 9.176 5.042 1.836 127 H VAL 19 H VAL 19 10.411 4.394 -1.678 128 HA VAL 19 HA VAL 19 7.830 3.331 -2.309 129 HB VAL 19 HB VAL 19 10.184 3.720 -4.215 130 1HG1 VAL 19 1HG1 VAL 19 7.216 4.026 -4.708 131 2HG1 VAL 19 2HG1 VAL 19 8.521 4.082 -5.903 132 3HG1 VAL 19 3HG1 VAL 19 8.138 2.550 -5.104 133 1HG2 VAL 19 1HG2 VAL 19 8.196 5.743 -3.170 134 2HG2 VAL 19 2HG2 VAL 19 9.960 5.776 -2.947 135 3HG2 VAL 19 3HG2 VAL 19 9.279 6.007 -4.562 136 H HIS 20 H HIS 20 11.173 2.091 -3.105 137 HA HIS 20 HA HIS 20 10.170 -0.329 -4.025 138 1HB HIS 20 2HB HIS 20 12.320 -1.155 -4.159 139 2HB HIS 20 3HB HIS 20 12.184 0.468 -4.798 140 HD1 HIS 20 1HD HIS 20 14.736 0.889 -4.744 141 HD2 HIS 20 2HD HIS 20 13.122 -0.331 -1.075 142 HE1 HIS 20 1HE HIS 20 16.639 0.977 -3.043 143 H LYS 21 H LYS 21 11.038 0.583 -0.690 144 HA LYS 21 HA LYS 21 10.989 -1.941 0.509 145 1HB LYS 21 2HB LYS 21 11.997 -0.028 1.482 146 2HB LYS 21 3HB LYS 21 10.530 0.943 1.287 147 1HG LYS 21 2HG LYS 21 9.400 -0.148 2.965 148 2HG LYS 21 3HG LYS 21 10.712 -1.353 3.194 149 1HD LYS 21 2HD LYS 21 12.269 0.409 3.936 150 2HD LYS 21 3HD LYS 21 11.181 1.659 3.373 151 1HE LYS 21 2HE LYS 21 11.024 1.782 5.700 152 2HE LYS 21 3HE LYS 21 9.523 1.037 5.162 153 1HZ LYS 21 1HZ LYS 21 10.490 -1.106 5.791 154 2HZ LYS 21 2HZ LYS 21 11.844 -0.340 6.354 155 3HZ LYS 21 3HZ LYS 21 10.376 -0.051 7.048 156 H ILE 22 H ILE 22 8.345 0.482 -0.126 157 HA ILE 22 HA ILE 22 6.283 -1.095 1.119 158 HB ILE 22 HB ILE 22 6.303 1.171 -0.885 159 1HG1 ILE 22 2HG1 ILE 22 4.875 0.891 1.754 160 2HG1 ILE 22 3HG1 ILE 22 6.613 1.280 1.691 161 1HG2 ILE 22 1HG2 ILE 22 3.760 1.165 -0.660 162 2HG2 ILE 22 2HG2 ILE 22 4.384 -0.162 -1.629 163 3HG2 ILE 22 3HG2 ILE 22 3.887 -0.448 0.054 164 1HD1 ILE 22 1HD1 ILE 22 4.359 2.972 0.548 165 2HD1 ILE 22 2HD1 ILE 22 5.331 3.318 1.975 166 3HD1 ILE 22 3HD1 ILE 22 6.109 3.307 0.384 167 H GLU 23 H GLU 23 7.035 -0.707 -2.400 168 HA GLU 23 HA GLU 23 5.049 -2.633 -3.040 169 1HB GLU 23 2HB GLU 23 5.869 -2.519 -5.323 170 2HB GLU 23 3HB GLU 23 5.753 -0.927 -4.559 171 1HG GLU 23 2HG GLU 23 8.235 -1.124 -4.073 172 2HG GLU 23 3HG GLU 23 8.271 -2.476 -5.217 173 H SER 24 H SER 24 8.622 -3.043 -2.888 174 HA SER 24 HA SER 24 8.663 -5.743 -3.654 175 1HB SER 24 2HB SER 24 10.554 -4.464 -1.649 176 2HB SER 24 3HB SER 24 10.829 -5.909 -2.638 177 HG SER 24 HG SER 24 10.545 -3.228 -3.484 178 H SER 25 H SER 25 8.132 -4.274 -0.369 179 HA SER 25 HA SER 25 8.185 -6.898 0.819 180 1HB SER 25 2HB SER 25 8.707 -4.796 2.076 181 2HB SER 25 3HB SER 25 6.959 -4.481 2.115 182 HG SER 25 HG SER 25 7.580 -5.687 3.955 183 H LEU 26 H LEU 26 5.560 -4.741 -0.408 184 HA LEU 26 HA LEU 26 3.407 -6.347 0.553 185 1HB LEU 26 2HB LEU 26 3.675 -4.592 -1.905 186 2HB LEU 26 3HB LEU 26 2.168 -5.404 -1.480 187 HG LEU 26 HG LEU 26 3.574 -3.553 0.477 188 1HD1 LEU 26 1HD1 LEU 26 1.983 -1.815 -0.303 189 2HD1 LEU 26 2HD1 LEU 26 3.116 -2.309 -1.573 190 3HD1 LEU 26 3HD1 LEU 26 1.443 -2.907 -1.602 191 1HD2 LEU 26 1HD2 LEU 26 1.859 -5.029 1.486 192 2HD2 LEU 26 2HD2 LEU 26 1.304 -3.355 1.445 193 3HD2 LEU 26 3HD2 LEU 26 0.687 -4.514 0.252 194 H THR 27 H THR 27 5.278 -6.537 -2.530 195 HA THR 27 HA THR 27 3.844 -8.723 -3.615 196 HB THR 27 HB THR 27 5.943 -8.974 -5.031 197 HG1 THR 27 1HG THR 27 7.226 -7.883 -3.248 198 1HG2 THR 27 1HG2 THR 27 4.657 -6.211 -4.814 199 2HG2 THR 27 2HG2 THR 27 5.556 -6.839 -6.207 200 3HG2 THR 27 3HG2 THR 27 4.018 -7.590 -5.737 201 H LYS 28 H LYS 28 3.591 -10.000 -1.798 202 HA LYS 28 HA LYS 28 4.784 -12.476 -1.987 203 1HB LYS 28 2HB LYS 28 5.811 -12.790 0.251 204 2HB LYS 28 3HB LYS 28 6.796 -11.866 -0.874 205 1HG LYS 28 2HG LYS 28 6.396 -9.839 0.215 206 2HG LYS 28 3HG LYS 28 5.033 -10.462 1.171 207 1HD LYS 28 2HD LYS 28 6.580 -12.046 2.341 208 2HD LYS 28 3HD LYS 28 7.948 -11.330 1.483 209 1HE LYS 28 2HE LYS 28 6.059 -9.911 3.439 210 2HE LYS 28 3HE LYS 28 7.715 -10.432 3.797 211 1HZ LYS 28 1HZ LYS 28 7.564 -8.023 3.170 212 2HZ LYS 28 2HZ LYS 28 8.486 -8.886 2.108 213 3HZ LYS 28 3HZ LYS 28 6.929 -8.478 1.763 214 H HIS 29 H HIS 29 2.879 -10.134 0.016 215 HA HIS 29 HA HIS 29 1.653 -12.299 1.502 216 1HB HIS 29 2HB HIS 29 0.211 -10.755 2.436 217 2HB HIS 29 3HB HIS 29 1.779 -9.959 2.324 218 HD1 HIS 29 1HD HIS 29 -1.701 -9.916 0.647 219 HD2 HIS 29 2HD HIS 29 1.655 -7.544 1.510 220 HE1 HIS 29 1HE HIS 29 -2.402 -7.494 0.283 221 H ARG 30 H ARG 30 -0.356 -13.324 1.067 222 HA ARG 30 HA ARG 30 -1.073 -13.539 -1.717 223 1HB ARG 30 2HB ARG 30 -2.643 -14.382 0.759 224 2HB ARG 30 3HB ARG 30 -2.979 -14.855 -0.917 225 1HG ARG 30 2HG ARG 30 -0.626 -15.804 -1.038 226 2HG ARG 30 3HG ARG 30 -0.480 -15.523 0.703 227 1HD ARG 30 2HD ARG 30 -2.471 -16.942 1.110 228 2HD ARG 30 3HD ARG 30 -2.601 -17.305 -0.605 229 HE ARG 30 HE ARG 30 -0.792 -18.440 1.357 230 1HH1 ARG 30 2HH2 ARG 30 -1.064 -17.701 -2.072 231 2HH1 ARG 30 1HH2 ARG 30 0.077 -18.899 -2.603 232 1HH2 ARG 30 2HH1 ARG 30 0.749 -20.038 0.712 233 2HH2 ARG 30 1HH1 ARG 30 1.136 -20.258 -0.963 234 H GLY 31 H GLY 31 -2.856 -12.637 -2.819 235 1HA GLY 31 2HA GLY 31 -4.864 -11.338 -2.826 236 2HA GLY 31 1HA GLY 31 -4.283 -10.361 -1.486 237 H ILE 32 H ILE 32 -1.685 -9.579 -2.231 238 HA ILE 32 HA ILE 32 -2.496 -7.561 -3.980 239 HB ILE 32 HB ILE 32 -1.187 -7.468 -1.928 240 1HG1 ILE 32 2HG1 ILE 32 -1.522 -5.690 -3.613 241 2HG1 ILE 32 3HG1 ILE 32 -0.316 -5.506 -2.328 242 1HG2 ILE 32 1HG2 ILE 32 0.488 -9.161 -2.318 243 2HG2 ILE 32 2HG2 ILE 32 1.243 -8.152 -3.571 244 3HG2 ILE 32 3HG2 ILE 32 1.137 -7.563 -1.895 245 1HD1 ILE 32 1HD1 ILE 32 0.354 -6.250 -5.213 246 2HD1 ILE 32 2HD1 ILE 32 0.502 -4.636 -4.486 247 3HD1 ILE 32 3HD1 ILE 32 1.522 -5.944 -3.905 248 H LEU 33 H LEU 33 -2.635 -7.636 -6.093 249 HA LEU 33 HA LEU 33 -0.768 -9.308 -7.662 250 1HB LEU 33 2HB LEU 33 -2.282 -9.274 -9.406 251 2HB LEU 33 3HB LEU 33 -3.215 -9.521 -7.939 252 HG LEU 33 HG LEU 33 -3.344 -6.757 -8.237 253 1HD1 LEU 33 1HD1 LEU 33 -2.220 -6.886 -10.447 254 2HD1 LEU 33 2HD1 LEU 33 -3.513 -7.960 -11.019 255 3HD1 LEU 33 3HD1 LEU 33 -3.884 -6.286 -10.559 256 1HD2 LEU 33 1HD2 LEU 33 -5.224 -8.242 -7.693 257 2HD2 LEU 33 2HD2 LEU 33 -5.649 -7.141 -9.014 258 3HD2 LEU 33 3HD2 LEU 33 -5.251 -8.838 -9.366 259 H TYR 34 H TYR 34 -1.520 -5.812 -7.034 260 HA TYR 34 HA TYR 34 1.087 -5.262 -8.201 261 1HB TYR 34 2HB TYR 34 -0.305 -5.142 -10.225 262 2HB TYR 34 3HB TYR 34 -1.437 -4.064 -9.421 263 HD1 TYR 34 HD1 TYR 34 2.253 -4.304 -10.184 264 HD2 TYR 34 HD2 TYR 34 -1.233 -1.771 -9.935 265 HE1 TYR 34 HE1 TYR 34 3.590 -2.369 -10.974 266 HE2 TYR 34 HE2 TYR 34 0.080 0.115 -10.839 267 HH TYR 34 HH TYR 34 2.197 0.893 -11.351 268 H CYS 35 H CYS 35 1.920 -3.260 -7.476 269 HA CYS 35 HA CYS 35 0.298 -1.767 -5.464 270 1HB CYS 35 2HB CYS 35 2.086 -2.977 -4.232 271 2HB CYS 35 3HB CYS 35 3.290 -2.371 -5.390 272 HG CYS 35 HG CYS 35 3.546 -1.008 -3.276 273 H SER 36 H SER 36 0.333 0.428 -5.823 274 HA SER 36 HA SER 36 2.153 1.533 -7.942 275 1HB SER 36 2HB SER 36 -0.157 1.186 -8.800 276 2HB SER 36 3HB SER 36 -0.773 2.078 -7.403 277 HG SER 36 HG SER 36 0.451 3.879 -8.133 278 H VAL 37 H VAL 37 3.113 1.607 -5.411 279 HA VAL 37 HA VAL 37 2.255 3.919 -3.969 280 HB VAL 37 HB VAL 37 3.235 2.062 -2.847 281 1HG1 VAL 37 1HG1 VAL 37 5.697 2.437 -4.584 282 2HG1 VAL 37 2HG1 VAL 37 5.623 1.423 -3.138 283 3HG1 VAL 37 3HG1 VAL 37 4.646 1.029 -4.544 284 1HG2 VAL 37 1HG2 VAL 37 5.288 4.291 -2.873 285 2HG2 VAL 37 2HG2 VAL 37 3.760 4.308 -1.937 286 3HG2 VAL 37 3HG2 VAL 37 5.018 3.097 -1.608 287 H ALA 38 H ALA 38 2.808 5.998 -4.142 288 HA ALA 38 HA ALA 38 5.243 6.741 -5.692 289 1HB ALA 38 1HB ALA 38 3.299 6.963 -7.183 290 2HB ALA 38 2HB ALA 38 2.502 8.017 -5.988 291 3HB ALA 38 3HB ALA 38 4.016 8.537 -6.768 292 H LEU 39 H LEU 39 6.391 8.328 -4.945 293 HA LEU 39 HA LEU 39 6.012 9.558 -2.346 294 1HB LEU 39 2HB LEU 39 7.857 10.119 -4.704 295 2HB LEU 39 3HB LEU 39 7.938 11.030 -3.195 296 HG LEU 39 HG LEU 39 8.160 8.016 -3.160 297 1HD1 LEU 39 1HD1 LEU 39 10.602 8.254 -3.312 298 2HD1 LEU 39 2HD1 LEU 39 9.831 8.835 -4.791 299 3HD1 LEU 39 3HD1 LEU 39 10.436 9.999 -3.591 300 1HD2 LEU 39 1HD2 LEU 39 9.324 10.191 -1.356 301 2HD2 LEU 39 2HD2 LEU 39 7.860 9.265 -0.992 302 3HD2 LEU 39 3HD2 LEU 39 9.425 8.439 -1.097 303 H ALA 40 H ALA 40 5.380 10.414 -5.694 304 HA ALA 40 HA ALA 40 5.188 13.035 -5.907 305 1HB ALA 40 1HB ALA 40 3.031 11.107 -6.865 306 2HB ALA 40 2HB ALA 40 3.354 12.725 -7.525 307 3HB ALA 40 3HB ALA 40 4.575 11.447 -7.681 308 H THR 41 H THR 41 2.702 11.160 -4.155 309 HA THR 41 HA THR 41 2.010 13.617 -2.706 310 HB THR 41 HB THR 41 0.553 13.675 -4.537 311 HG1 THR 41 1HG THR 41 -0.631 12.980 -2.069 312 1HG2 THR 41 1HG2 THR 41 -0.764 11.099 -3.655 313 2HG2 THR 41 2HG2 THR 41 -1.184 12.092 -5.053 314 3HG2 THR 41 3HG2 THR 41 0.350 11.199 -5.044 315 H ASN 42 H ASN 42 3.504 11.397 -2.121 316 HA ASN 42 HA ASN 42 3.769 9.574 -0.686 317 1HB ASN 42 2HB ASN 42 2.404 11.768 0.927 318 2HB ASN 42 3HB ASN 42 2.911 10.259 1.690 319 1HD2 ASN 42 1HD2 ASN 42 5.141 9.533 1.403 320 2HD2 ASN 42 2HD2 ASN 42 6.427 10.722 1.309 321 H LYS 43 H LYS 43 2.156 8.439 -2.246 322 HA LYS 43 HA LYS 43 -0.108 7.379 -0.672 323 1HB LYS 43 2HB LYS 43 -0.931 9.473 -1.594 324 2HB LYS 43 3HB LYS 43 -0.356 9.015 -3.207 325 1HG LYS 43 2HG LYS 43 -2.344 7.225 -1.816 326 2HG LYS 43 3HG LYS 43 -2.911 8.784 -2.380 327 1HD LYS 43 2HD LYS 43 -1.550 6.715 -4.176 328 2HD LYS 43 3HD LYS 43 -3.286 6.936 -3.975 329 1HE LYS 43 2HE LYS 43 -2.770 9.451 -4.662 330 2HE LYS 43 3HE LYS 43 -1.264 8.780 -5.297 331 1HZ LYS 43 1HZ LYS 43 -3.042 8.834 -6.956 332 2HZ LYS 43 2HZ LYS 43 -2.576 7.281 -6.652 333 3HZ LYS 43 3HZ LYS 43 -3.966 7.847 -6.021 334 H ALA 44 H ALA 44 -0.700 5.374 -1.328 335 HA ALA 44 HA ALA 44 0.294 4.414 -3.957 336 1HB ALA 44 1HB ALA 44 1.390 3.230 -1.924 337 2HB ALA 44 2HB ALA 44 -0.230 2.676 -1.490 338 3HB ALA 44 3HB ALA 44 0.491 2.159 -3.025 339 H HIS 45 H HIS 45 -1.026 3.004 -5.093 340 HA HIS 45 HA HIS 45 -3.660 2.557 -3.886 341 1HB HIS 45 2HB HIS 45 -4.798 2.546 -5.807 342 2HB HIS 45 3HB HIS 45 -3.753 3.924 -6.111 343 HD1 HIS 45 1HD HIS 45 -2.972 3.848 -8.597 344 HD2 HIS 45 2HD HIS 45 -3.741 0.085 -6.902 345 HE1 HIS 45 1HE HIS 45 -2.678 2.138 -10.464 346 H ILE 46 H ILE 46 -4.106 0.365 -3.705 347 HA ILE 46 HA ILE 46 -1.925 -1.456 -4.669 348 HB ILE 46 HB ILE 46 -3.316 -1.552 -1.972 349 1HG1 ILE 46 2HG1 ILE 46 -0.350 -1.453 -2.711 350 2HG1 ILE 46 3HG1 ILE 46 -1.271 0.003 -2.337 351 1HG2 ILE 46 1HG2 ILE 46 -1.313 -3.453 -3.266 352 2HG2 ILE 46 2HG2 ILE 46 -2.003 -3.642 -1.640 353 3HG2 ILE 46 3HG2 ILE 46 -3.022 -3.839 -3.057 354 1HD1 ILE 46 1HD1 ILE 46 -0.709 -2.303 -0.430 355 2HD1 ILE 46 2HD1 ILE 46 -0.089 -0.646 -0.363 356 3HD1 ILE 46 3HD1 ILE 46 -1.813 -0.954 -0.092 357 H LYS 47 H LYS 47 -2.600 -3.192 -5.762 358 HA LYS 47 HA LYS 47 -5.528 -3.555 -6.186 359 1HB LYS 47 2HB LYS 47 -3.074 -4.270 -7.849 360 2HB LYS 47 3HB LYS 47 -4.734 -4.687 -8.226 361 1HG LYS 47 2HG LYS 47 -4.876 -1.889 -7.807 362 2HG LYS 47 3HG LYS 47 -3.266 -2.070 -8.461 363 1HD LYS 47 2HD LYS 47 -4.749 -1.818 -10.374 364 2HD LYS 47 3HD LYS 47 -4.340 -3.545 -10.309 365 1HE LYS 47 2HE LYS 47 -6.540 -3.600 -8.714 366 2HE LYS 47 3HE LYS 47 -6.927 -2.119 -9.587 367 1HZ LYS 47 1HZ LYS 47 -6.970 -3.417 -11.603 368 2HZ LYS 47 2HZ LYS 47 -6.438 -4.767 -10.805 369 3HZ LYS 47 3HZ LYS 47 -7.894 -4.169 -10.465 370 H TYR 48 H TYR 48 -5.609 -4.633 -4.125 371 HA TYR 48 HA TYR 48 -4.517 -7.357 -4.207 372 1HB TYR 48 2HB TYR 48 -4.591 -7.380 -1.801 373 2HB TYR 48 3HB TYR 48 -3.759 -5.938 -2.285 374 HD1 TYR 48 HD1 TYR 48 -6.731 -7.321 -0.640 375 HD2 TYR 48 HD2 TYR 48 -5.044 -3.671 -2.195 376 HE1 TYR 48 HE1 TYR 48 -8.227 -5.994 0.816 377 HE2 TYR 48 HE2 TYR 48 -6.508 -2.363 -0.729 378 HH TYR 48 HH TYR 48 -8.161 -2.426 0.850 379 H ASP 49 H ASP 49 -5.812 -9.057 -3.884 380 HA ASP 49 HA ASP 49 -8.501 -8.987 -4.722 381 1HB ASP 49 2HB ASP 49 -7.138 -11.047 -2.948 382 2HB ASP 49 3HB ASP 49 -8.662 -11.275 -3.809 383 HA PRO 50 HA PRO 50 -9.722 -7.179 -0.712 384 1HB PRO 50 2HB PRO 50 -12.004 -5.914 -1.399 385 2HB PRO 50 3HB PRO 50 -10.454 -5.455 -2.156 386 1HG PRO 50 2HG PRO 50 -12.520 -7.385 -3.284 387 2HG PRO 50 3HG PRO 50 -11.839 -5.940 -4.085 388 1HD PRO 50 2HD PRO 50 -10.797 -8.464 -4.433 389 2HD PRO 50 3HD PRO 50 -9.782 -6.998 -4.438 390 H GLU 51 H GLU 51 -9.993 -9.908 -0.846 391 HA GLU 51 HA GLU 51 -12.695 -10.508 0.262 392 1HB GLU 51 2HB GLU 51 -11.393 -12.203 -1.930 393 2HB GLU 51 3HB GLU 51 -12.974 -12.414 -1.163 394 1HG GLU 51 2HG GLU 51 -13.580 -10.100 -2.088 395 2HG GLU 51 3HG GLU 51 -12.089 -10.181 -3.044 396 H ILE 52 H ILE 52 -9.589 -12.069 -0.633 397 HA ILE 52 HA ILE 52 -9.622 -13.743 1.755 398 HB ILE 52 HB ILE 52 -7.393 -14.433 0.993 399 1HG1 ILE 52 2HG1 ILE 52 -7.877 -12.748 -1.499 400 2HG1 ILE 52 3HG1 ILE 52 -6.755 -12.307 -0.200 401 1HG2 ILE 52 1HG2 ILE 52 -9.537 -15.550 0.314 402 2HG2 ILE 52 2HG2 ILE 52 -9.544 -14.578 -1.171 403 3HG2 ILE 52 3HG2 ILE 52 -8.257 -15.767 -0.877 404 1HD1 ILE 52 1HD1 ILE 52 -5.513 -14.435 -0.569 405 2HD1 ILE 52 2HD1 ILE 52 -6.571 -14.787 -1.957 406 3HD1 ILE 52 3HD1 ILE 52 -5.525 -13.372 -1.987 407 H ILE 53 H ILE 53 -8.337 -10.594 1.009 408 HA ILE 53 HA ILE 53 -7.303 -10.375 3.777 409 HB ILE 53 HB ILE 53 -5.511 -11.157 2.077 410 1HG1 ILE 53 2HG1 ILE 53 -5.066 -8.588 3.593 411 2HG1 ILE 53 3HG1 ILE 53 -5.103 -10.220 4.315 412 1HG2 ILE 53 1HG2 ILE 53 -5.622 -8.240 1.207 413 2HG2 ILE 53 2HG2 ILE 53 -4.521 -9.494 0.627 414 3HG2 ILE 53 3HG2 ILE 53 -6.238 -9.598 0.231 415 1HD1 ILE 53 1HD1 ILE 53 -3.238 -10.864 2.738 416 2HD1 ILE 53 2HD1 ILE 53 -3.099 -9.125 2.346 417 3HD1 ILE 53 3HD1 ILE 53 -2.803 -9.685 3.999 418 H GLY 54 H GLY 54 -7.092 -8.082 4.458 419 1HA GLY 54 2HA GLY 54 -9.128 -6.427 3.001 420 2HA GLY 54 1HA GLY 54 -8.927 -6.599 4.750 421 HA PRO 55 HA PRO 55 -6.387 -2.931 3.335 422 1HB PRO 55 2HB PRO 55 -7.732 -0.981 4.727 423 2HB PRO 55 3HB PRO 55 -8.192 -1.491 3.080 424 1HG PRO 55 2HG PRO 55 -9.401 -2.408 5.698 425 2HG PRO 55 3HG PRO 55 -10.255 -1.862 4.226 426 1HD PRO 55 2HD PRO 55 -9.888 -4.504 4.774 427 2HD PRO 55 3HD PRO 55 -9.797 -3.899 3.099 428 H ARG 56 H ARG 56 -7.838 -4.102 6.370 429 HA ARG 56 HA ARG 56 -6.141 -2.860 8.249 430 1HB ARG 56 2HB ARG 56 -7.428 -5.623 8.309 431 2HB ARG 56 3HB ARG 56 -6.627 -4.835 9.678 432 1HG ARG 56 2HG ARG 56 -8.205 -2.904 9.471 433 2HG ARG 56 3HG ARG 56 -9.084 -3.784 8.208 434 1HD ARG 56 2HD ARG 56 -9.480 -5.659 9.882 435 2HD ARG 56 3HD ARG 56 -8.599 -4.718 11.076 436 HE ARG 56 HE ARG 56 -10.379 -3.367 11.449 437 1HH1 ARG 56 2HH2 ARG 56 -10.962 -5.143 8.471 438 2HH1 ARG 56 1HH2 ARG 56 -12.619 -4.652 8.288 439 1HH2 ARG 56 2HH1 ARG 56 -12.573 -2.659 11.251 440 2HH2 ARG 56 1HH1 ARG 56 -13.549 -3.184 9.919 441 H ASP 57 H ASP 57 -5.691 -6.081 6.566 442 HA ASP 57 HA ASP 57 -3.315 -6.746 7.831 443 1HB ASP 57 2HB ASP 57 -3.954 -7.313 4.929 444 2HB ASP 57 3HB ASP 57 -3.058 -8.333 6.063 445 H ILE 58 H ILE 58 -3.812 -4.995 4.759 446 HA ILE 58 HA ILE 58 -1.107 -4.421 4.110 447 HB ILE 58 HB ILE 58 -3.715 -2.971 3.552 448 1HG1 ILE 58 2HG1 ILE 58 -1.836 -4.626 1.799 449 2HG1 ILE 58 3HG1 ILE 58 -3.315 -5.238 2.562 450 1HG2 ILE 58 1HG2 ILE 58 -2.575 -1.568 1.934 451 2HG2 ILE 58 2HG2 ILE 58 -1.871 -1.274 3.494 452 3HG2 ILE 58 3HG2 ILE 58 -1.004 -2.305 2.336 453 1HD1 ILE 58 1HD1 ILE 58 -3.816 -4.687 0.309 454 2HD1 ILE 58 2HD1 ILE 58 -4.627 -3.495 1.363 455 3HD1 ILE 58 3HD1 ILE 58 -3.160 -3.049 0.461 456 H ILE 59 H ILE 59 -3.488 -2.495 6.003 457 HA ILE 59 HA ILE 59 -1.827 -0.341 6.524 458 HB ILE 59 HB ILE 59 -4.187 -1.502 7.956 459 1HG1 ILE 59 2HG1 ILE 59 -3.848 1.286 6.809 460 2HG1 ILE 59 3HG1 ILE 59 -4.190 -0.096 5.760 461 1HG2 ILE 59 1HG2 ILE 59 -2.943 -0.645 9.826 462 2HG2 ILE 59 2HG2 ILE 59 -2.544 0.851 8.966 463 3HG2 ILE 59 3HG2 ILE 59 -4.211 0.514 9.465 464 1HD1 ILE 59 1HD1 ILE 59 -6.213 -0.617 7.126 465 2HD1 ILE 59 2HD1 ILE 59 -5.931 0.865 8.063 466 3HD1 ILE 59 3HD1 ILE 59 -6.270 0.963 6.326 467 H HIS 60 H HIS 60 -2.234 -3.331 8.441 468 HA HIS 60 HA HIS 60 -0.342 -2.556 10.467 469 1HB HIS 60 2HB HIS 60 -1.393 -5.300 9.713 470 2HB HIS 60 3HB HIS 60 -0.556 -4.879 11.217 471 HD1 HIS 60 1HD HIS 60 -2.187 -2.058 11.671 472 HD2 HIS 60 2HD HIS 60 -3.796 -5.844 10.716 473 HE1 HIS 60 1HE HIS 60 -4.637 -2.022 12.372 474 H THR 61 H THR 61 -0.067 -4.262 7.404 475 HA THR 61 HA THR 61 2.644 -5.177 7.747 476 HB THR 61 HB THR 61 1.011 -4.493 5.280 477 HG1 THR 61 1HG THR 61 0.183 -6.171 6.479 478 1HG2 THR 61 1HG2 THR 61 2.613 -5.978 4.069 479 2HG2 THR 61 2HG2 THR 61 3.417 -4.511 4.660 480 3HG2 THR 61 3HG2 THR 61 3.629 -6.056 5.522 481 H ILE 62 H ILE 62 1.239 -2.141 6.380 482 HA ILE 62 HA ILE 62 3.850 -1.040 5.819 483 HB ILE 62 HB ILE 62 1.102 0.165 5.837 484 1HG1 ILE 62 2HG1 ILE 62 2.932 -0.715 3.551 485 2HG1 ILE 62 3HG1 ILE 62 1.554 -1.639 4.144 486 1HG2 ILE 62 1HG2 ILE 62 2.053 2.078 4.646 487 2HG2 ILE 62 2HG2 ILE 62 2.891 1.908 6.177 488 3HG2 ILE 62 3HG2 ILE 62 3.674 1.341 4.689 489 1HD1 ILE 62 1HD1 ILE 62 1.448 1.056 2.756 490 2HD1 ILE 62 2HD1 ILE 62 0.835 -0.501 2.192 491 3HD1 ILE 62 3HD1 ILE 62 0.059 0.298 3.576 492 H GLU 63 H GLU 63 1.588 -0.717 8.602 493 HA GLU 63 HA GLU 63 3.116 1.129 10.127 494 1HB GLU 63 2HB GLU 63 1.493 -1.299 11.010 495 2HB GLU 63 3HB GLU 63 2.219 -0.133 12.114 496 1HG GLU 63 2HG GLU 63 0.895 1.688 11.180 497 2HG GLU 63 3HG GLU 63 0.147 0.605 10.008 498 H SER 64 H SER 64 3.381 -2.460 9.869 499 HA SER 64 HA SER 64 5.674 -2.725 11.487 500 1HB SER 64 2HB SER 64 4.187 -4.584 10.692 501 2HB SER 64 3HB SER 64 4.963 -4.482 9.104 502 HG SER 64 HG SER 64 6.294 -4.982 11.562 503 H LEU 65 H LEU 65 5.469 -2.108 7.933 504 HA LEU 65 HA LEU 65 8.292 -1.966 7.507 505 1HB LEU 65 2HB LEU 65 6.037 -0.441 6.137 506 2HB LEU 65 3HB LEU 65 7.708 -0.376 5.624 507 HG LEU 65 HG LEU 65 6.037 -2.917 5.665 508 1HD1 LEU 65 1HD1 LEU 65 5.346 -1.206 3.969 509 2HD1 LEU 65 2HD1 LEU 65 7.013 -1.170 3.365 510 3HD1 LEU 65 3HD1 LEU 65 6.040 -2.651 3.226 511 1HD2 LEU 65 1HD2 LEU 65 7.976 -3.744 4.248 512 2HD2 LEU 65 2HD2 LEU 65 8.884 -2.311 4.733 513 3HD2 LEU 65 3HD2 LEU 65 8.381 -3.516 5.947 514 H GLY 66 H GLY 66 6.027 0.439 8.786 515 1HA GLY 66 2HA GLY 66 6.741 1.961 10.462 516 2HA GLY 66 1HA GLY 66 8.349 2.057 9.746 517 H PHE 67 H PHE 67 5.151 2.286 8.097 518 HA PHE 67 HA PHE 67 5.473 5.230 7.841 519 1HB PHE 67 2HB PHE 67 4.512 3.447 5.583 520 2HB PHE 67 3HB PHE 67 4.724 5.190 5.541 521 HD1 PHE 67 1HD PHE 67 6.014 2.436 4.084 522 HD2 PHE 67 2HD PHE 67 7.407 5.668 6.581 523 HE1 PHE 67 1HE PHE 67 8.260 2.299 3.035 524 HE2 PHE 67 2HE PHE 67 9.647 5.490 5.563 525 HZ PHE 67 HZ PHE 67 10.100 3.763 3.851 526 H GLU 68 H GLU 68 3.273 6.241 7.401 527 HA GLU 68 HA GLU 68 1.241 4.740 8.980 528 1HB GLU 68 2HB GLU 68 1.741 7.660 8.475 529 2HB GLU 68 3HB GLU 68 0.383 6.985 9.375 530 1HG GLU 68 2HG GLU 68 1.926 6.066 11.064 531 2HG GLU 68 3HG GLU 68 3.328 6.616 10.121 532 HA PRO 69 HA PRO 69 -0.864 5.031 4.850 533 1HB PRO 69 2HB PRO 69 -2.241 2.717 4.907 534 2HB PRO 69 3HB PRO 69 -0.477 2.742 4.610 535 1HG PRO 69 2HG PRO 69 -1.896 2.221 7.221 536 2HG PRO 69 3HG PRO 69 -0.575 1.290 6.461 537 1HD PRO 69 2HD PRO 69 -0.179 3.160 8.416 538 2HD PRO 69 3HD PRO 69 1.024 2.817 7.141 539 H SER 70 H SER 70 -2.906 5.893 4.499 540 HA SER 70 HA SER 70 -5.110 5.455 6.432 541 1HB SER 70 2HB SER 70 -3.862 8.144 5.727 542 2HB SER 70 3HB SER 70 -5.477 7.975 6.440 543 HG SER 70 HG SER 70 -3.443 6.578 7.717 544 H LEU 71 H LEU 71 -6.797 4.862 5.190 545 HA LEU 71 HA LEU 71 -6.753 5.248 2.313 546 1HB LEU 71 2HB LEU 71 -8.782 3.925 2.311 547 2HB LEU 71 3HB LEU 71 -7.448 3.128 3.125 548 HG LEU 71 HG LEU 71 -9.197 4.681 4.976 549 1HD1 LEU 71 1HD1 LEU 71 -10.917 3.928 3.390 550 2HD1 LEU 71 2HD1 LEU 71 -10.313 2.259 3.503 551 3HD1 LEU 71 3HD1 LEU 71 -11.040 3.048 4.921 552 1HD2 LEU 71 1HD2 LEU 71 -7.421 3.077 5.740 553 2HD2 LEU 71 2HD2 LEU 71 -9.036 2.630 6.309 554 3HD2 LEU 71 3HD2 LEU 71 -8.306 1.762 4.944 555 H VAL 72 H VAL 72 -6.669 7.686 2.889 556 HA VAL 72 HA VAL 72 -9.447 8.817 2.715 557 HB VAL 72 HB VAL 72 -6.975 10.155 3.845 558 1HG1 VAL 72 1HG1 VAL 72 -9.945 10.881 3.989 559 2HG1 VAL 72 2HG1 VAL 72 -8.624 11.772 4.769 560 3HG1 VAL 72 3HG1 VAL 72 -8.737 11.732 3.008 561 1HG2 VAL 72 1HG2 VAL 72 -7.592 8.307 5.361 562 2HG2 VAL 72 2HG2 VAL 72 -8.061 9.848 6.079 563 3HG2 VAL 72 3HG2 VAL 72 -9.291 8.819 5.319 564 H LYS 73 H LYS 73 -8.742 7.920 0.441 565 HA LYS 73 HA LYS 73 -8.353 10.276 -1.159 566 1HB LYS 73 2HB LYS 73 -5.998 9.832 -0.892 567 2HB LYS 73 3HB LYS 73 -6.239 8.091 -1.102 568 1HG LYS 73 2HG LYS 73 -5.202 8.959 -3.082 569 2HG LYS 73 3HG LYS 73 -6.832 8.442 -3.459 570 1HD LYS 73 2HD LYS 73 -7.553 10.891 -3.272 571 2HD LYS 73 3HD LYS 73 -5.848 11.316 -3.112 572 1HE LYS 73 2HE LYS 73 -5.350 10.537 -5.336 573 2HE LYS 73 3HE LYS 73 -6.822 9.567 -5.421 574 1HZ LYS 73 1HZ LYS 73 -7.106 11.391 -6.758 575 2HZ LYS 73 2HZ LYS 73 -8.150 11.490 -5.594 576 3HZ LYS 73 3HZ LYS 73 -6.836 12.512 -5.562 577 H ILE 74 H ILE 74 -9.340 10.001 -3.137 578 HA ILE 74 HA ILE 74 -9.651 7.450 -4.379 579 HB ILE 74 HB ILE 74 -11.690 7.580 -2.962 580 1HG1 ILE 74 2HG1 ILE 74 -12.406 7.934 -5.899 581 2HG1 ILE 74 3HG1 ILE 74 -11.643 6.482 -5.228 582 1HG2 ILE 74 1HG2 ILE 74 -13.399 9.280 -3.300 583 2HG2 ILE 74 2HG2 ILE 74 -11.887 10.085 -2.894 584 3HG2 ILE 74 3HG2 ILE 74 -12.448 10.057 -4.578 585 1HD1 ILE 74 1HD1 ILE 74 -14.025 6.126 -5.383 586 2HD1 ILE 74 2HD1 ILE 74 -13.575 6.216 -3.668 587 3HD1 ILE 74 3HD1 ILE 74 -14.372 7.597 -4.462 588 H GLU 75 H GLU 75 -10.172 7.947 -6.695 589 HA GLU 75 HA GLU 75 -9.888 9.060 -8.633 590 1HB GLU 75 2HB GLU 75 -12.192 9.660 -7.726 591 2HB GLU 75 3HB GLU 75 -11.525 11.234 -7.270 592 1HG GLU 75 2HG GLU 75 -10.950 11.652 -9.650 593 2HG GLU 75 3HG GLU 75 -11.595 10.058 -10.092 Start of MODEL 14 1 1H MET 1 H1 MET 1 -15.120 -9.562 -4.674 2 2H MET 1 H2 MET 1 -14.739 -11.207 -4.489 3 3H MET 1 H3 MET 1 -13.605 -10.198 -4.875 4 HA MET 1 HA MET 1 -14.130 -11.327 -6.800 5 1HB MET 1 2HB MET 1 -16.937 -10.173 -6.438 6 2HB MET 1 3HB MET 1 -16.359 -11.043 -7.869 7 1HG MET 1 2HG MET 1 -15.931 -13.054 -6.470 8 2HG MET 1 3HG MET 1 -16.578 -12.203 -5.057 9 1HE MET 1 1HE MET 1 -18.214 -14.167 -4.552 10 2HE MET 1 2HE MET 1 -19.329 -14.854 -5.756 11 3HE MET 1 3HE MET 1 -17.573 -15.054 -5.959 12 H GLY 2 H GLY 2 -13.715 -10.223 -8.786 13 1HA GLY 2 2HA GLY 2 -13.150 -8.414 -10.105 14 2HA GLY 2 1HA GLY 2 -13.967 -7.303 -8.991 15 H ASP 3 H ASP 3 -11.353 -6.756 -10.102 16 HA ASP 3 HA ASP 3 -9.326 -7.415 -8.119 17 1HB ASP 3 2HB ASP 3 -7.977 -5.862 -9.519 18 2HB ASP 3 3HB ASP 3 -8.710 -7.168 -10.458 19 H GLY 4 H GLY 4 -8.847 -6.164 -6.307 20 1HA GLY 4 2HA GLY 4 -10.589 -4.134 -5.432 21 2HA GLY 4 1HA GLY 4 -8.960 -4.449 -4.808 22 H VAL 5 H VAL 5 -10.360 -1.881 -5.322 23 HA VAL 5 HA VAL 5 -8.101 -0.537 -6.698 24 HB VAL 5 HB VAL 5 -11.047 0.193 -7.088 25 1HG1 VAL 5 1HG1 VAL 5 -10.160 1.868 -8.661 26 2HG1 VAL 5 2HG1 VAL 5 -9.478 2.141 -7.053 27 3HG1 VAL 5 3HG1 VAL 5 -8.501 1.348 -8.308 28 1HG2 VAL 5 1HG2 VAL 5 -10.680 -0.360 -9.472 29 2HG2 VAL 5 2HG2 VAL 5 -9.075 -0.998 -9.072 30 3HG2 VAL 5 3HG2 VAL 5 -10.539 -1.790 -8.447 31 H LEU 6 H LEU 6 -7.280 -0.173 -4.541 32 HA LEU 6 HA LEU 6 -8.836 1.871 -3.042 33 1HB LEU 6 2HB LEU 6 -7.539 -0.630 -1.875 34 2HB LEU 6 3HB LEU 6 -7.826 0.847 -0.959 35 HG LEU 6 HG LEU 6 -10.320 0.602 -1.846 36 1HD1 LEU 6 1HD1 LEU 6 -11.065 -1.727 -1.919 37 2HD1 LEU 6 2HD1 LEU 6 -9.885 -1.467 -3.207 38 3HD1 LEU 6 3HD1 LEU 6 -9.404 -2.309 -1.731 39 1HD2 LEU 6 1HD2 LEU 6 -9.094 -0.976 0.444 40 2HD2 LEU 6 2HD2 LEU 6 -9.677 0.699 0.495 41 3HD2 LEU 6 3HD2 LEU 6 -10.828 -0.628 0.261 42 H GLU 7 H GLU 7 -7.605 3.427 -2.058 43 HA GLU 7 HA GLU 7 -4.696 3.381 -2.556 44 1HB GLU 7 2HB GLU 7 -6.552 5.801 -2.800 45 2HB GLU 7 3HB GLU 7 -4.787 5.769 -2.965 46 1HG GLU 7 2HG GLU 7 -5.246 4.009 -4.820 47 2HG GLU 7 3HG GLU 7 -6.903 4.643 -4.831 48 H LEU 8 H LEU 8 -3.558 3.937 -0.717 49 HA LEU 8 HA LEU 8 -4.969 5.592 1.252 50 1HB LEU 8 2HB LEU 8 -3.913 4.349 3.144 51 2HB LEU 8 3HB LEU 8 -5.308 3.598 2.385 52 HG LEU 8 HG LEU 8 -3.562 2.099 3.113 53 1HD1 LEU 8 1HD1 LEU 8 -3.733 0.522 1.326 54 2HD1 LEU 8 2HD1 LEU 8 -5.258 1.413 1.441 55 3HD1 LEU 8 3HD1 LEU 8 -4.102 1.777 0.144 56 1HD2 LEU 8 1HD2 LEU 8 -1.524 1.733 1.888 57 2HD2 LEU 8 2HD2 LEU 8 -1.958 3.011 0.738 58 3HD2 LEU 8 3HD2 LEU 8 -1.606 3.424 2.436 59 H VAL 9 H VAL 9 -3.560 6.818 2.524 60 HA VAL 9 HA VAL 9 -1.324 7.736 0.809 61 HB VAL 9 HB VAL 9 -2.763 9.176 3.056 62 1HG1 VAL 9 1HG1 VAL 9 -0.406 9.942 2.612 63 2HG1 VAL 9 2HG1 VAL 9 -0.831 10.165 0.905 64 3HG1 VAL 9 3HG1 VAL 9 -1.611 11.157 2.151 65 1HG2 VAL 9 1HG2 VAL 9 -3.021 9.375 0.014 66 2HG2 VAL 9 2HG2 VAL 9 -4.274 8.790 1.125 67 3HG2 VAL 9 3HG2 VAL 9 -3.767 10.486 1.179 68 H VAL 10 H VAL 10 0.509 6.745 1.351 69 HA VAL 10 HA VAL 10 0.966 5.517 3.998 70 HB VAL 10 HB VAL 10 2.969 4.638 2.806 71 1HG1 VAL 10 1HG1 VAL 10 0.736 3.440 2.965 72 2HG1 VAL 10 2HG1 VAL 10 0.376 4.040 1.340 73 3HG1 VAL 10 3HG1 VAL 10 1.749 2.943 1.601 74 1HG2 VAL 10 1HG2 VAL 10 3.195 4.757 0.411 75 2HG2 VAL 10 2HG2 VAL 10 1.681 5.629 0.225 76 3HG2 VAL 10 3HG2 VAL 10 3.070 6.435 0.957 77 H ARG 11 H ARG 11 0.848 7.795 4.905 78 HA ARG 11 HA ARG 11 2.787 9.584 3.806 79 1HB ARG 11 2HB ARG 11 2.042 11.278 5.239 80 2HB ARG 11 3HB ARG 11 0.687 10.373 4.585 81 1HG ARG 11 2HG ARG 11 -0.066 10.577 6.689 82 2HG ARG 11 3HG ARG 11 0.821 9.072 6.886 83 1HD ARG 11 2HD ARG 11 2.777 10.365 7.773 84 2HD ARG 11 3HD ARG 11 1.912 11.880 7.548 85 HE ARG 11 HE ARG 11 1.782 10.025 9.736 86 1HH1 ARG 11 2HH2 ARG 11 -0.145 12.396 8.023 87 2HH1 ARG 11 1HH2 ARG 11 -1.302 12.628 9.305 88 1HH2 ARG 11 2HH1 ARG 11 0.129 10.058 11.322 89 2HH2 ARG 11 1HH1 ARG 11 -1.078 11.308 11.297 90 H GLY 12 H GLY 12 4.857 9.814 4.229 91 1HA GLY 12 2HA GLY 12 6.397 10.078 6.374 92 2HA GLY 12 1HA GLY 12 6.111 8.332 6.476 93 H MET 13 H MET 13 6.040 7.666 3.675 94 HA MET 13 HA MET 13 8.799 7.331 3.233 95 1HB MET 13 2HB MET 13 7.988 6.228 1.196 96 2HB MET 13 3HB MET 13 7.069 5.750 2.621 97 1HG MET 13 2HG MET 13 5.352 6.092 1.163 98 2HG MET 13 3HG MET 13 5.425 7.719 1.816 99 1HE MET 13 1HE MET 13 7.740 6.031 -0.919 100 2HE MET 13 2HE MET 13 6.079 5.404 -0.950 101 3HE MET 13 3HE MET 13 6.671 6.408 -2.306 102 H THR 14 H THR 14 10.076 8.070 1.500 103 HA THR 14 HA THR 14 9.340 10.744 0.391 104 HB THR 14 HB THR 14 10.312 11.061 2.577 105 HG1 THR 14 1HG THR 14 11.961 12.450 1.917 106 1HG2 THR 14 1HG2 THR 14 11.704 9.045 2.822 107 2HG2 THR 14 2HG2 THR 14 12.796 9.620 1.540 108 3HG2 THR 14 3HG2 THR 14 12.660 10.508 3.065 109 H CYS 15 H CYS 15 11.435 7.838 0.047 110 HA CYS 15 HA CYS 15 12.253 8.861 -2.624 111 1HB CYS 15 2HB CYS 15 14.571 8.722 -2.110 112 2HB CYS 15 3HB CYS 15 13.841 9.674 -0.825 113 H ALA 16 H ALA 16 13.783 7.236 -3.623 114 HA ALA 16 HA ALA 16 12.575 4.935 -4.413 115 1HB ALA 16 1HB ALA 16 14.560 5.877 -5.467 116 2HB ALA 16 2HB ALA 16 15.561 5.393 -4.080 117 3HB ALA 16 3HB ALA 16 14.802 4.156 -5.106 118 H SER 17 H SER 17 14.899 5.210 -1.675 119 HA SER 17 HA SER 17 15.007 2.502 -0.975 120 1HB SER 17 2HB SER 17 15.241 4.910 0.873 121 2HB SER 17 3HB SER 17 15.940 3.300 1.113 122 HG SER 17 HG SER 17 17.131 3.664 -0.860 123 H CYS 18 H CYS 18 12.575 5.003 -0.091 124 HA CYS 18 HA CYS 18 11.223 3.218 1.808 125 1HB CYS 18 2HB CYS 18 10.230 5.784 0.532 126 2HB CYS 18 3HB CYS 18 9.572 4.908 1.923 127 H VAL 19 H VAL 19 10.711 4.521 -1.468 128 HA VAL 19 HA VAL 19 8.218 3.516 -2.134 129 HB VAL 19 HB VAL 19 10.742 3.970 -3.747 130 1HG1 VAL 19 1HG1 VAL 19 8.043 3.254 -4.920 131 2HG1 VAL 19 2HG1 VAL 19 9.410 3.927 -5.819 132 3HG1 VAL 19 3HG1 VAL 19 9.549 2.331 -5.086 133 1HG2 VAL 19 1HG2 VAL 19 8.140 5.507 -3.780 134 2HG2 VAL 19 2HG2 VAL 19 9.504 5.929 -2.723 135 3HG2 VAL 19 3HG2 VAL 19 9.698 5.983 -4.483 136 H HIS 20 H HIS 20 11.419 1.879 -2.720 137 HA HIS 20 HA HIS 20 10.056 -0.399 -3.713 138 1HB HIS 20 2HB HIS 20 12.143 -1.338 -4.058 139 2HB HIS 20 3HB HIS 20 12.190 0.378 -4.465 140 HD1 HIS 20 1HD HIS 20 14.915 -0.203 -4.380 141 HD2 HIS 20 2HD HIS 20 12.797 -0.203 -0.769 142 HE1 HIS 20 1HE HIS 20 16.637 -0.248 -2.505 143 H LYS 21 H LYS 21 10.588 0.540 -0.399 144 HA LYS 21 HA LYS 21 10.486 -2.229 0.620 145 1HB LYS 21 2HB LYS 21 9.982 0.412 2.033 146 2HB LYS 21 3HB LYS 21 9.986 -1.163 2.806 147 1HG LYS 21 2HG LYS 21 12.441 -0.082 1.392 148 2HG LYS 21 3HG LYS 21 12.022 0.375 3.018 149 1HD LYS 21 2HD LYS 21 13.644 -1.311 3.190 150 2HD LYS 21 3HD LYS 21 12.125 -1.971 3.776 151 1HE LYS 21 2HE LYS 21 13.575 -3.525 2.396 152 2HE LYS 21 3HE LYS 21 11.900 -3.409 1.869 153 1HZ LYS 21 1HZ LYS 21 14.122 -1.884 0.627 154 2HZ LYS 21 2HZ LYS 21 13.519 -3.302 0.048 155 3HZ LYS 21 3HZ LYS 21 12.564 -1.973 0.121 156 H ILE 22 H ILE 22 8.308 0.598 0.126 157 HA ILE 22 HA ILE 22 5.989 -0.803 1.005 158 HB ILE 22 HB ILE 22 6.162 1.485 -0.987 159 1HG1 ILE 22 2HG1 ILE 22 6.031 1.233 2.028 160 2HG1 ILE 22 3HG1 ILE 22 7.171 2.141 1.014 161 1HG2 ILE 22 1HG2 ILE 22 3.729 1.801 -0.270 162 2HG2 ILE 22 2HG2 ILE 22 4.038 0.363 -1.224 163 3HG2 ILE 22 3HG2 ILE 22 3.835 0.230 0.535 164 1HD1 ILE 22 1HD1 ILE 22 5.404 3.759 0.492 165 2HD1 ILE 22 2HD1 ILE 22 4.293 2.887 1.590 166 3HD1 ILE 22 3HD1 ILE 22 5.755 3.657 2.213 167 H GLU 23 H GLU 23 7.238 -0.456 -2.388 168 HA GLU 23 HA GLU 23 5.311 -2.181 -3.513 169 1HB GLU 23 2HB GLU 23 8.197 -1.711 -4.365 170 2HB GLU 23 3HB GLU 23 6.975 -2.536 -5.339 171 1HG GLU 23 2HG GLU 23 6.696 0.340 -4.353 172 2HG GLU 23 3HG GLU 23 7.281 -0.135 -5.950 173 H SER 24 H SER 24 8.698 -3.172 -2.559 174 HA SER 24 HA SER 24 8.323 -5.885 -3.107 175 1HB SER 24 2HB SER 24 10.104 -4.606 -1.001 176 2HB SER 24 3HB SER 24 10.252 -6.261 -1.611 177 HG SER 24 HG SER 24 10.399 -5.223 -3.763 178 H SER 25 H SER 25 7.600 -4.073 -0.107 179 HA SER 25 HA SER 25 6.983 -6.398 1.466 180 1HB SER 25 2HB SER 25 7.589 -4.129 2.359 181 2HB SER 25 3HB SER 25 5.992 -3.557 1.825 182 HG SER 25 HG SER 25 6.656 -5.487 3.801 183 H LEU 26 H LEU 26 4.915 -4.074 -0.446 184 HA LEU 26 HA LEU 26 2.459 -5.335 0.178 185 1HB LEU 26 2HB LEU 26 3.385 -3.774 -2.244 186 2HB LEU 26 3HB LEU 26 1.743 -4.407 -2.111 187 HG LEU 26 HG LEU 26 2.960 -2.659 0.052 188 1HD1 LEU 26 1HD1 LEU 26 2.943 -1.451 -2.136 189 2HD1 LEU 26 2HD1 LEU 26 1.202 -1.757 -2.263 190 3HD1 LEU 26 3HD1 LEU 26 1.825 -0.749 -0.948 191 1HD2 LEU 26 1HD2 LEU 26 0.534 -2.171 0.507 192 2HD2 LEU 26 2HD2 LEU 26 0.113 -3.492 -0.605 193 3HD2 LEU 26 3HD2 LEU 26 1.024 -3.825 0.882 194 H THR 27 H THR 27 4.812 -6.037 -2.484 195 HA THR 27 HA THR 27 3.237 -8.095 -3.556 196 HB THR 27 HB THR 27 5.396 -8.946 -4.558 197 HG1 THR 27 1HG THR 27 6.571 -7.671 -2.687 198 1HG2 THR 27 1HG2 THR 27 3.898 -7.324 -5.694 199 2HG2 THR 27 2HG2 THR 27 4.722 -5.985 -4.863 200 3HG2 THR 27 3HG2 THR 27 5.608 -6.984 -6.029 201 H LYS 28 H LYS 28 4.818 -8.211 -0.445 202 HA LYS 28 HA LYS 28 5.295 -11.047 -0.403 203 1HB LYS 28 2HB LYS 28 5.622 -10.895 1.873 204 2HB LYS 28 3HB LYS 28 6.199 -9.363 1.240 205 1HG LYS 28 2HG LYS 28 4.990 -8.352 2.791 206 2HG LYS 28 3HG LYS 28 3.505 -8.843 1.957 207 1HD LYS 28 2HD LYS 28 3.640 -11.016 3.327 208 2HD LYS 28 3HD LYS 28 4.991 -10.289 4.191 209 1HE LYS 28 2HE LYS 28 2.072 -9.819 4.468 210 2HE LYS 28 3HE LYS 28 3.352 -9.732 5.675 211 1HZ LYS 28 1HZ LYS 28 2.453 -7.654 3.805 212 2HZ LYS 28 2HZ LYS 28 2.501 -7.537 5.393 213 3HZ LYS 28 3HZ LYS 28 3.924 -7.526 4.564 214 H HIS 29 H HIS 29 2.376 -9.114 -0.321 215 HA HIS 29 HA HIS 29 0.738 -11.212 0.928 216 1HB HIS 29 2HB HIS 29 0.072 -8.605 -0.459 217 2HB HIS 29 3HB HIS 29 -1.122 -9.699 0.246 218 HD1 HIS 29 1HD HIS 29 -1.044 -9.918 2.965 219 HD2 HIS 29 2HD HIS 29 1.396 -6.998 1.185 220 HE1 HIS 29 1HE HIS 29 -0.392 -8.303 4.812 221 H ARG 30 H ARG 30 0.937 -13.037 -0.331 222 HA ARG 30 HA ARG 30 0.320 -13.215 -3.136 223 1HB ARG 30 2HB ARG 30 1.345 -15.010 -1.752 224 2HB ARG 30 3HB ARG 30 -0.172 -15.211 -0.886 225 1HG ARG 30 2HG ARG 30 -0.734 -15.387 -3.731 226 2HG ARG 30 3HG ARG 30 0.714 -16.340 -3.416 227 1HD ARG 30 2HD ARG 30 -1.278 -17.740 -3.217 228 2HD ARG 30 3HD ARG 30 -0.477 -17.587 -1.633 229 HE ARG 30 HE ARG 30 -2.387 -15.503 -1.903 230 1HH1 ARG 30 2HH2 ARG 30 -2.375 -18.979 -1.381 231 2HH1 ARG 30 1HH2 ARG 30 -3.861 -18.994 -0.477 232 1HH2 ARG 30 2HH1 ARG 30 -4.286 -15.451 -0.803 233 2HH2 ARG 30 1HH1 ARG 30 -5.021 -16.889 -0.157 234 H GLY 31 H GLY 31 -1.295 -11.599 -3.329 235 1HA GLY 31 2HA GLY 31 -4.025 -12.114 -3.349 236 2HA GLY 31 1HA GLY 31 -3.679 -11.543 -1.696 237 H ILE 32 H ILE 32 -1.379 -9.747 -2.665 238 HA ILE 32 HA ILE 32 -2.907 -7.580 -3.782 239 HB ILE 32 HB ILE 32 -0.630 -7.732 -2.282 240 1HG1 ILE 32 2HG1 ILE 32 -2.226 -5.894 -2.632 241 2HG1 ILE 32 3HG1 ILE 32 -0.541 -5.456 -2.345 242 1HG2 ILE 32 1HG2 ILE 32 0.857 -8.462 -4.043 243 2HG2 ILE 32 2HG2 ILE 32 0.345 -7.113 -5.091 244 3HG2 ILE 32 3HG2 ILE 32 1.213 -6.782 -3.587 245 1HD1 ILE 32 1HD1 ILE 32 -1.751 -5.580 -5.123 246 2HD1 ILE 32 2HD1 ILE 32 -1.638 -4.095 -4.166 247 3HD1 ILE 32 3HD1 ILE 32 -0.165 -4.927 -4.660 248 H LEU 33 H LEU 33 -3.405 -7.439 -5.854 249 HA LEU 33 HA LEU 33 -2.345 -9.286 -7.869 250 1HB LEU 33 2HB LEU 33 -4.315 -6.985 -8.173 251 2HB LEU 33 3HB LEU 33 -4.042 -8.313 -9.293 252 HG LEU 33 HG LEU 33 -5.154 -8.694 -6.464 253 1HD1 LEU 33 1HD1 LEU 33 -7.345 -8.905 -7.531 254 2HD1 LEU 33 2HD1 LEU 33 -6.670 -7.285 -7.765 255 3HD1 LEU 33 3HD1 LEU 33 -6.643 -8.458 -9.102 256 1HD2 LEU 33 1HD2 LEU 33 -5.071 -10.494 -8.920 257 2HD2 LEU 33 2HD2 LEU 33 -4.120 -10.713 -7.431 258 3HD2 LEU 33 3HD2 LEU 33 -5.884 -10.873 -7.384 259 H TYR 34 H TYR 34 -2.445 -5.723 -7.133 260 HA TYR 34 HA TYR 34 0.158 -5.414 -8.456 261 1HB TYR 34 2HB TYR 34 -1.386 -5.368 -10.356 262 2HB TYR 34 3HB TYR 34 -2.380 -4.160 -9.558 263 HD1 TYR 34 HD1 TYR 34 0.920 -4.791 -11.159 264 HD2 TYR 34 HD2 TYR 34 -1.798 -1.822 -9.612 265 HE1 TYR 34 HE1 TYR 34 2.276 -2.993 -12.207 266 HE2 TYR 34 HE2 TYR 34 -0.488 -0.045 -10.722 267 HH TYR 34 HH TYR 34 1.796 0.328 -11.359 268 H CYS 35 H CYS 35 1.284 -3.994 -7.254 269 HA CYS 35 HA CYS 35 -0.132 -1.946 -5.623 270 1HB CYS 35 2HB CYS 35 2.176 -1.596 -4.599 271 2HB CYS 35 3HB CYS 35 1.368 -3.054 -4.140 272 HG CYS 35 HG CYS 35 3.783 -2.416 -6.282 273 H SER 36 H SER 36 0.464 0.203 -5.891 274 HA SER 36 HA SER 36 2.879 0.836 -7.358 275 1HB SER 36 2HB SER 36 0.197 1.678 -8.511 276 2HB SER 36 3HB SER 36 1.666 2.642 -8.753 277 HG SER 36 HG SER 36 1.855 -0.099 -9.196 278 H VAL 37 H VAL 37 3.631 1.636 -5.436 279 HA VAL 37 HA VAL 37 2.318 3.888 -4.210 280 HB VAL 37 HB VAL 37 3.914 2.017 -3.269 281 1HG1 VAL 37 1HG1 VAL 37 5.767 2.588 -4.860 282 2HG1 VAL 37 2HG1 VAL 37 5.962 4.133 -3.980 283 3HG1 VAL 37 3HG1 VAL 37 6.217 2.585 -3.141 284 1HG2 VAL 37 1HG2 VAL 37 2.938 3.661 -1.913 285 2HG2 VAL 37 2HG2 VAL 37 4.639 3.453 -1.495 286 3HG2 VAL 37 3HG2 VAL 37 4.126 4.904 -2.397 287 H ALA 38 H ALA 38 2.934 6.049 -4.223 288 HA ALA 38 HA ALA 38 5.093 6.867 -6.017 289 1HB ALA 38 1HB ALA 38 2.293 7.966 -6.443 290 2HB ALA 38 2HB ALA 38 3.814 8.551 -7.170 291 3HB ALA 38 3HB ALA 38 3.200 6.926 -7.575 292 H LEU 39 H LEU 39 6.142 8.499 -5.217 293 HA LEU 39 HA LEU 39 5.516 9.145 -2.496 294 1HB LEU 39 2HB LEU 39 7.735 10.034 -2.325 295 2HB LEU 39 3HB LEU 39 7.744 8.522 -3.219 296 HG LEU 39 HG LEU 39 7.595 10.229 -5.335 297 1HD1 LEU 39 1HD1 LEU 39 9.187 11.738 -3.205 298 2HD1 LEU 39 2HD1 LEU 39 9.063 12.166 -4.921 299 3HD1 LEU 39 3HD1 LEU 39 7.642 12.281 -3.874 300 1HD2 LEU 39 1HD2 LEU 39 9.266 8.472 -5.034 301 2HD2 LEU 39 2HD2 LEU 39 10.058 9.988 -5.498 302 3HD2 LEU 39 3HD2 LEU 39 10.105 9.444 -3.807 303 H ALA 40 H ALA 40 5.310 10.995 -5.453 304 HA ALA 40 HA ALA 40 5.365 13.594 -4.561 305 1HB ALA 40 1HB ALA 40 3.886 14.123 -6.466 306 2HB ALA 40 2HB ALA 40 5.139 12.952 -6.920 307 3HB ALA 40 3HB ALA 40 3.471 12.403 -6.635 308 H THR 41 H THR 41 2.444 11.472 -4.582 309 HA THR 41 HA THR 41 1.029 13.366 -2.758 310 HB THR 41 HB THR 41 -0.903 11.910 -3.383 311 HG1 THR 41 1HG THR 41 0.188 10.074 -3.985 312 1HG2 THR 41 1HG2 THR 41 -0.451 14.027 -4.617 313 2HG2 THR 41 2HG2 THR 41 0.577 13.136 -5.763 314 3HG2 THR 41 3HG2 THR 41 -1.159 12.785 -5.667 315 H ASN 42 H ASN 42 3.215 11.038 -2.318 316 HA ASN 42 HA ASN 42 3.587 9.230 -0.985 317 1HB ASN 42 2HB ASN 42 2.535 11.476 0.612 318 2HB ASN 42 3HB ASN 42 2.246 9.956 1.422 319 1HD2 ASN 42 1HD2 ASN 42 5.101 11.114 -0.593 320 2HD2 ASN 42 2HD2 ASN 42 6.224 10.687 0.716 321 H LYS 43 H LYS 43 1.721 8.445 -2.782 322 HA LYS 43 HA LYS 43 -0.529 7.266 -1.192 323 1HB LYS 43 2HB LYS 43 -1.784 6.989 -3.096 324 2HB LYS 43 3HB LYS 43 -1.262 8.677 -3.067 325 1HG LYS 43 2HG LYS 43 0.234 8.296 -4.954 326 2HG LYS 43 3HG LYS 43 0.158 6.557 -4.771 327 1HD LYS 43 2HD LYS 43 -1.152 7.320 -6.680 328 2HD LYS 43 3HD LYS 43 -2.070 6.385 -5.489 329 1HE LYS 43 2HE LYS 43 -3.036 8.479 -4.577 330 2HE LYS 43 3HE LYS 43 -2.183 9.436 -5.791 331 1HZ LYS 43 1HZ LYS 43 -4.656 8.284 -5.965 332 2HZ LYS 43 2HZ LYS 43 -3.836 8.829 -7.302 333 3HZ LYS 43 3HZ LYS 43 -3.841 7.240 -6.777 334 H ALA 44 H ALA 44 -0.871 5.066 -1.240 335 HA ALA 44 HA ALA 44 0.671 3.420 -3.181 336 1HB ALA 44 1HB ALA 44 -0.309 2.378 -0.524 337 2HB ALA 44 2HB ALA 44 0.764 1.607 -1.713 338 3HB ALA 44 3HB ALA 44 1.339 2.961 -0.728 339 H HIS 45 H HIS 45 -0.660 2.855 -4.807 340 HA HIS 45 HA HIS 45 -3.492 2.480 -4.334 341 1HB HIS 45 2HB HIS 45 -2.363 3.588 -6.388 342 2HB HIS 45 3HB HIS 45 -1.754 1.978 -6.803 343 HD1 HIS 45 1HD HIS 45 -4.694 4.184 -7.082 344 HD2 HIS 45 2HD HIS 45 -4.043 0.096 -6.479 345 HE1 HIS 45 1HE HIS 45 -6.911 3.072 -7.339 346 H ILE 46 H ILE 46 -4.060 0.456 -3.594 347 HA ILE 46 HA ILE 46 -2.218 -1.857 -4.119 348 HB ILE 46 HB ILE 46 -4.025 -1.352 -1.725 349 1HG1 ILE 46 2HG1 ILE 46 -1.948 -1.874 -0.436 350 2HG1 ILE 46 3HG1 ILE 46 -1.027 -1.915 -1.944 351 1HG2 ILE 46 1HG2 ILE 46 -2.273 -3.779 -1.933 352 2HG2 ILE 46 2HG2 ILE 46 -3.772 -3.548 -1.057 353 3HG2 ILE 46 3HG2 ILE 46 -3.802 -3.850 -2.796 354 1HD1 ILE 46 1HD1 ILE 46 -2.508 0.575 -1.082 355 2HD1 ILE 46 2HD1 ILE 46 -0.886 0.160 -0.478 356 3HD1 ILE 46 3HD1 ILE 46 -1.135 0.392 -2.212 357 H LYS 47 H LYS 47 -3.114 -3.068 -5.725 358 HA LYS 47 HA LYS 47 -6.083 -3.259 -5.866 359 1HB LYS 47 2HB LYS 47 -3.980 -4.088 -7.904 360 2HB LYS 47 3HB LYS 47 -5.726 -4.087 -8.078 361 1HG LYS 47 2HG LYS 47 -5.540 -1.483 -7.649 362 2HG LYS 47 3HG LYS 47 -3.798 -1.714 -7.803 363 1HD LYS 47 2HD LYS 47 -4.284 -1.200 -9.987 364 2HD LYS 47 3HD LYS 47 -4.434 -2.959 -10.066 365 1HE LYS 47 2HE LYS 47 -6.698 -0.900 -9.819 366 2HE LYS 47 3HE LYS 47 -6.280 -1.848 -11.254 367 1HZ LYS 47 1HZ LYS 47 -6.825 -3.845 -9.914 368 2HZ LYS 47 2HZ LYS 47 -7.458 -2.873 -8.747 369 3HZ LYS 47 3HZ LYS 47 -8.092 -2.963 -10.264 370 H TYR 48 H TYR 48 -6.420 -4.771 -4.258 371 HA TYR 48 HA TYR 48 -4.931 -7.328 -4.386 372 1HB TYR 48 2HB TYR 48 -5.447 -7.583 -2.022 373 2HB TYR 48 3HB TYR 48 -4.576 -6.091 -2.297 374 HD1 TYR 48 HD1 TYR 48 -7.561 -7.569 -0.915 375 HD2 TYR 48 HD2 TYR 48 -5.937 -3.841 -2.327 376 HE1 TYR 48 HE1 TYR 48 -8.982 -6.337 0.684 377 HE2 TYR 48 HE2 TYR 48 -7.228 -2.632 -0.634 378 HH TYR 48 HH TYR 48 -8.631 -2.820 1.193 379 H ASP 49 H ASP 49 -6.229 -9.258 -3.566 380 HA ASP 49 HA ASP 49 -8.783 -9.388 -4.950 381 1HB ASP 49 2HB ASP 49 -8.829 -11.658 -4.355 382 2HB ASP 49 3HB ASP 49 -7.158 -11.293 -4.787 383 HA PRO 50 HA PRO 50 -10.663 -7.962 -1.029 384 1HB PRO 50 2HB PRO 50 -13.118 -7.211 -1.871 385 2HB PRO 50 3HB PRO 50 -11.648 -6.310 -2.327 386 1HG PRO 50 2HG PRO 50 -13.060 -8.431 -3.947 387 2HG PRO 50 3HG PRO 50 -12.607 -6.793 -4.491 388 1HD PRO 50 2HD PRO 50 -11.023 -8.975 -4.983 389 2HD PRO 50 3HD PRO 50 -10.339 -7.370 -4.626 390 H GLU 51 H GLU 51 -10.265 -10.756 -1.390 391 HA GLU 51 HA GLU 51 -12.732 -11.713 -0.043 392 1HB GLU 51 2HB GLU 51 -11.379 -13.961 -1.139 393 2HB GLU 51 3HB GLU 51 -13.017 -13.411 -1.434 394 1HG GLU 51 2HG GLU 51 -10.623 -12.353 -2.999 395 2HG GLU 51 3HG GLU 51 -11.505 -13.790 -3.441 396 H ILE 52 H ILE 52 -9.212 -12.603 -0.567 397 HA ILE 52 HA ILE 52 -9.344 -14.019 1.973 398 HB ILE 52 HB ILE 52 -7.191 -14.711 1.640 399 1HG1 ILE 52 2HG1 ILE 52 -6.168 -13.763 -0.786 400 2HG1 ILE 52 3HG1 ILE 52 -6.713 -12.316 0.057 401 1HG2 ILE 52 1HG2 ILE 52 -8.528 -14.700 -1.092 402 2HG2 ILE 52 2HG2 ILE 52 -7.349 -15.878 -0.490 403 3HG2 ILE 52 3HG2 ILE 52 -8.948 -15.764 0.266 404 1HD1 ILE 52 1HD1 ILE 52 -5.414 -13.094 2.095 405 2HD1 ILE 52 2HD1 ILE 52 -4.816 -14.452 1.137 406 3HD1 ILE 52 3HD1 ILE 52 -4.399 -12.792 0.668 407 H ILE 53 H ILE 53 -8.207 -10.907 1.019 408 HA ILE 53 HA ILE 53 -7.121 -10.394 3.760 409 HB ILE 53 HB ILE 53 -5.498 -10.884 1.877 410 1HG1 ILE 53 2HG1 ILE 53 -5.178 -8.151 3.135 411 2HG1 ILE 53 3HG1 ILE 53 -5.012 -9.708 3.995 412 1HG2 ILE 53 1HG2 ILE 53 -6.168 -8.101 0.890 413 2HG2 ILE 53 2HG2 ILE 53 -5.006 -9.246 0.197 414 3HG2 ILE 53 3HG2 ILE 53 -6.730 -9.593 0.090 415 1HD1 ILE 53 1HD1 ILE 53 -3.305 -8.801 1.666 416 2HD1 ILE 53 2HD1 ILE 53 -2.870 -8.980 3.381 417 3HD1 ILE 53 3HD1 ILE 53 -3.274 -10.424 2.418 418 H GLY 54 H GLY 54 -7.051 -8.092 4.454 419 1HA GLY 54 2HA GLY 54 -9.299 -6.510 3.231 420 2HA GLY 54 1HA GLY 54 -9.022 -6.767 4.963 421 HA PRO 55 HA PRO 55 -6.786 -2.837 3.621 422 1HB PRO 55 2HB PRO 55 -7.984 -1.184 5.453 423 2HB PRO 55 3HB PRO 55 -8.610 -1.483 3.810 424 1HG PRO 55 2HG PRO 55 -9.486 -2.809 6.383 425 2HG PRO 55 3HG PRO 55 -10.513 -2.116 5.097 426 1HD PRO 55 2HD PRO 55 -10.019 -4.772 5.223 427 2HD PRO 55 3HD PRO 55 -10.079 -3.947 3.643 428 H ARG 56 H ARG 56 -7.770 -4.271 6.733 429 HA ARG 56 HA ARG 56 -5.932 -3.127 8.446 430 1HB ARG 56 2HB ARG 56 -7.792 -4.501 9.186 431 2HB ARG 56 3HB ARG 56 -7.053 -5.964 8.494 432 1HG ARG 56 2HG ARG 56 -5.184 -5.845 10.014 433 2HG ARG 56 3HG ARG 56 -5.666 -4.231 10.569 434 1HD ARG 56 2HD ARG 56 -7.261 -6.799 10.976 435 2HD ARG 56 3HD ARG 56 -6.164 -6.130 12.178 436 HE ARG 56 HE ARG 56 -8.850 -5.251 11.522 437 1HH1 ARG 56 2HH2 ARG 56 -5.726 -4.061 12.811 438 2HH1 ARG 56 1HH2 ARG 56 -6.467 -2.865 13.816 439 1HH2 ARG 56 2HH1 ARG 56 -9.793 -3.585 12.797 440 2HH2 ARG 56 1HH1 ARG 56 -8.798 -2.543 13.761 441 H ASP 57 H ASP 57 -5.436 -6.156 6.501 442 HA ASP 57 HA ASP 57 -2.997 -6.856 7.670 443 1HB ASP 57 2HB ASP 57 -3.805 -7.365 4.793 444 2HB ASP 57 3HB ASP 57 -2.830 -8.407 5.847 445 H ILE 58 H ILE 58 -3.695 -5.008 4.731 446 HA ILE 58 HA ILE 58 -1.048 -4.360 3.884 447 HB ILE 58 HB ILE 58 -3.647 -2.783 3.677 448 1HG1 ILE 58 2HG1 ILE 58 -2.443 -4.370 1.407 449 2HG1 ILE 58 3HG1 ILE 58 -3.447 -5.199 2.600 450 1HG2 ILE 58 1HG2 ILE 58 -2.553 -1.630 1.760 451 2HG2 ILE 58 2HG2 ILE 58 -1.752 -1.289 3.284 452 3HG2 ILE 58 3HG2 ILE 58 -1.038 -2.463 2.164 453 1HD1 ILE 58 1HD1 ILE 58 -4.355 -2.749 1.047 454 2HD1 ILE 58 2HD1 ILE 58 -4.843 -4.446 0.761 455 3HD1 ILE 58 3HD1 ILE 58 -5.275 -3.633 2.268 456 H ILE 59 H ILE 59 -3.436 -2.586 5.925 457 HA ILE 59 HA ILE 59 -1.837 -0.402 6.403 458 HB ILE 59 HB ILE 59 -4.159 -1.638 7.832 459 1HG1 ILE 59 2HG1 ILE 59 -3.804 1.126 6.593 460 2HG1 ILE 59 3HG1 ILE 59 -4.211 -0.306 5.644 461 1HG2 ILE 59 1HG2 ILE 59 -2.971 -0.765 9.740 462 2HG2 ILE 59 2HG2 ILE 59 -2.639 0.763 8.909 463 3HG2 ILE 59 3HG2 ILE 59 -4.293 0.331 9.372 464 1HD1 ILE 59 1HD1 ILE 59 -6.237 0.791 6.138 465 2HD1 ILE 59 2HD1 ILE 59 -6.184 -0.678 7.147 466 3HD1 ILE 59 3HD1 ILE 59 -5.856 0.921 7.868 467 H HIS 60 H HIS 60 -2.088 -3.361 8.410 468 HA HIS 60 HA HIS 60 -0.187 -2.437 10.371 469 1HB HIS 60 2HB HIS 60 -1.239 -5.205 9.712 470 2HB HIS 60 3HB HIS 60 -0.152 -4.845 11.064 471 HD1 HIS 60 1HD HIS 60 -1.738 -1.983 11.777 472 HD2 HIS 60 2HD HIS 60 -3.207 -5.928 11.477 473 HE1 HIS 60 1HE HIS 60 -3.857 -2.079 13.164 474 H THR 61 H THR 61 0.117 -4.164 7.302 475 HA THR 61 HA THR 61 2.916 -4.784 7.605 476 HB THR 61 HB THR 61 1.161 -4.318 5.182 477 HG1 THR 61 1HG THR 61 0.647 -6.102 6.285 478 1HG2 THR 61 1HG2 THR 61 2.970 -5.346 3.846 479 2HG2 THR 61 2HG2 THR 61 3.493 -3.815 4.526 480 3HG2 THR 61 3HG2 THR 61 4.042 -5.320 5.279 481 H ILE 62 H ILE 62 1.286 -1.861 6.174 482 HA ILE 62 HA ILE 62 3.828 -0.589 5.663 483 HB ILE 62 HB ILE 62 1.069 0.636 5.866 484 1HG1 ILE 62 2HG1 ILE 62 1.013 -1.042 4.123 485 2HG1 ILE 62 3HG1 ILE 62 1.046 0.554 3.400 486 1HG2 ILE 62 1HG2 ILE 62 2.738 2.358 6.042 487 2HG2 ILE 62 2HG2 ILE 62 3.666 1.687 4.689 488 3HG2 ILE 62 3HG2 ILE 62 2.078 2.422 4.415 489 1HD1 ILE 62 1HD1 ILE 62 2.460 -0.970 2.159 490 2HD1 ILE 62 2HD1 ILE 62 3.492 0.252 2.924 491 3HD1 ILE 62 3HD1 ILE 62 3.388 -1.393 3.600 492 H GLU 63 H GLU 63 1.547 -0.349 8.420 493 HA GLU 63 HA GLU 63 2.960 1.573 9.948 494 1HB GLU 63 2HB GLU 63 1.364 -0.875 10.774 495 2HB GLU 63 3HB GLU 63 1.935 0.348 11.910 496 1HG GLU 63 2HG GLU 63 0.624 2.086 10.884 497 2HG GLU 63 3HG GLU 63 0.151 1.051 9.539 498 H SER 64 H SER 64 3.384 -2.000 9.720 499 HA SER 64 HA SER 64 5.559 -2.170 11.512 500 1HB SER 64 2HB SER 64 4.227 -4.097 10.691 501 2HB SER 64 3HB SER 64 5.018 -3.962 9.111 502 HG SER 64 HG SER 64 6.387 -4.345 11.568 503 H LEU 65 H LEU 65 5.578 -1.549 7.946 504 HA LEU 65 HA LEU 65 8.436 -1.340 7.723 505 1HB LEU 65 2HB LEU 65 6.329 0.263 6.215 506 2HB LEU 65 3HB LEU 65 8.034 0.146 5.803 507 HG LEU 65 HG LEU 65 6.042 -2.153 5.737 508 1HD1 LEU 65 1HD1 LEU 65 7.469 -0.642 3.508 509 2HD1 LEU 65 2HD1 LEU 65 6.277 -1.944 3.328 510 3HD1 LEU 65 3HD1 LEU 65 5.779 -0.386 3.992 511 1HD2 LEU 65 1HD2 LEU 65 7.913 -3.366 4.582 512 2HD2 LEU 65 2HD2 LEU 65 9.010 -2.045 5.033 513 3HD2 LEU 65 3HD2 LEU 65 8.245 -3.053 6.284 514 H GLY 66 H GLY 66 5.971 1.046 8.650 515 1HA GLY 66 2HA GLY 66 6.461 2.573 10.451 516 2HA GLY 66 1HA GLY 66 8.123 2.743 9.888 517 H PHE 67 H PHE 67 5.005 2.840 8.084 518 HA PHE 67 HA PHE 67 5.233 5.775 7.789 519 1HB PHE 67 2HB PHE 67 4.287 4.036 5.502 520 2HB PHE 67 3HB PHE 67 4.700 5.740 5.483 521 HD1 PHE 67 1HD PHE 67 7.303 6.218 6.156 522 HD2 PHE 67 2HD PHE 67 5.831 2.453 4.669 523 HE1 PHE 67 1HE PHE 67 9.548 5.697 5.235 524 HE2 PHE 67 2HE PHE 67 8.073 1.932 3.766 525 HZ PHE 67 HZ PHE 67 9.932 3.558 4.034 526 H GLU 68 H GLU 68 2.942 6.673 7.530 527 HA GLU 68 HA GLU 68 1.064 4.882 8.980 528 1HB GLU 68 2HB GLU 68 1.291 7.848 8.609 529 2HB GLU 68 3HB GLU 68 -0.113 7.049 9.324 530 1HG GLU 68 2HG GLU 68 1.269 6.126 11.124 531 2HG GLU 68 3HG GLU 68 2.746 6.748 10.357 532 HA PRO 69 HA PRO 69 -0.884 4.798 4.812 533 1HB PRO 69 2HB PRO 69 -2.201 2.455 4.989 534 2HB PRO 69 3HB PRO 69 -0.417 2.505 4.926 535 1HG PRO 69 2HG PRO 69 -2.164 2.319 7.393 536 2HG PRO 69 3HG PRO 69 -0.773 1.283 6.964 537 1HD PRO 69 2HD PRO 69 -0.561 3.390 8.647 538 2HD PRO 69 3HD PRO 69 0.753 2.907 7.532 539 H SER 70 H SER 70 -2.051 6.731 5.416 540 HA SER 70 HA SER 70 -4.526 6.473 6.962 541 1HB SER 70 2HB SER 70 -3.082 8.510 6.949 542 2HB SER 70 3HB SER 70 -3.580 8.795 5.267 543 HG SER 70 HG SER 70 -5.251 8.696 7.571 544 H LEU 71 H LEU 71 -6.226 5.482 6.068 545 HA LEU 71 HA LEU 71 -6.597 5.220 3.174 546 1HB LEU 71 2HB LEU 71 -8.532 3.880 3.756 547 2HB LEU 71 3HB LEU 71 -7.084 3.330 4.583 548 HG LEU 71 HG LEU 71 -8.635 5.287 6.195 549 1HD1 LEU 71 1HD1 LEU 71 -10.536 4.233 5.045 550 2HD1 LEU 71 2HD1 LEU 71 -9.922 2.622 5.475 551 3HD1 LEU 71 3HD1 LEU 71 -10.469 3.738 6.745 552 1HD2 LEU 71 1HD2 LEU 71 -8.279 3.661 7.956 553 2HD2 LEU 71 2HD2 LEU 71 -7.812 2.418 6.783 554 3HD2 LEU 71 3HD2 LEU 71 -6.758 3.818 7.059 555 H VAL 72 H VAL 72 -6.531 7.781 3.368 556 HA VAL 72 HA VAL 72 -9.293 8.853 3.426 557 HB VAL 72 HB VAL 72 -7.548 10.142 4.440 558 1HG1 VAL 72 1HG1 VAL 72 -6.264 10.351 1.683 559 2HG1 VAL 72 2HG1 VAL 72 -5.805 11.295 3.108 560 3HG1 VAL 72 3HG1 VAL 72 -5.568 9.548 3.110 561 1HG2 VAL 72 1HG2 VAL 72 -9.493 11.282 3.387 562 2HG2 VAL 72 2HG2 VAL 72 -8.039 12.293 3.453 563 3HG2 VAL 72 3HG2 VAL 72 -8.521 11.545 1.922 564 H LYS 73 H LYS 73 -7.005 7.498 1.186 565 HA LYS 73 HA LYS 73 -7.035 7.105 -0.996 566 1HB LYS 73 2HB LYS 73 -9.916 8.029 -1.168 567 2HB LYS 73 3HB LYS 73 -9.082 6.868 -2.188 568 1HG LYS 73 2HG LYS 73 -9.015 5.232 -0.304 569 2HG LYS 73 3HG LYS 73 -9.748 6.427 0.770 570 1HD LYS 73 2HD LYS 73 -11.560 5.125 0.166 571 2HD LYS 73 3HD LYS 73 -11.689 6.589 -0.812 572 1HE LYS 73 2HE LYS 73 -10.233 4.992 -2.527 573 2HE LYS 73 3HE LYS 73 -11.100 3.736 -1.644 574 1HZ LYS 73 1HZ LYS 73 -13.175 4.822 -2.398 575 2HZ LYS 73 2HZ LYS 73 -12.253 6.037 -3.096 576 3HZ LYS 73 3HZ LYS 73 -12.140 4.599 -3.701 577 H ILE 74 H ILE 74 -7.815 8.252 -3.238 578 HA ILE 74 HA ILE 74 -8.432 10.966 -3.118 579 HB ILE 74 HB ILE 74 -6.076 11.409 -2.673 580 1HG1 ILE 74 2HG1 ILE 74 -5.510 12.883 -4.548 581 2HG1 ILE 74 3HG1 ILE 74 -6.776 12.160 -5.545 582 1HG2 ILE 74 1HG2 ILE 74 -5.121 9.346 -3.692 583 2HG2 ILE 74 2HG2 ILE 74 -5.422 10.062 -5.303 584 3HG2 ILE 74 3HG2 ILE 74 -4.290 10.832 -4.181 585 1HD1 ILE 74 1HD1 ILE 74 -7.251 13.596 -2.889 586 2HD1 ILE 74 2HD1 ILE 74 -7.413 14.339 -4.493 587 3HD1 ILE 74 3HD1 ILE 74 -8.503 13.031 -4.022 588 H GLU 75 H GLU 75 -6.992 8.334 -5.126 589 HA GLU 75 HA GLU 75 -7.629 7.421 -7.034 590 1HB GLU 75 2HB GLU 75 -10.341 8.529 -6.248 591 2HB GLU 75 3HB GLU 75 -10.085 7.432 -7.606 592 1HG GLU 75 2HG GLU 75 -9.276 5.671 -6.210 593 2HG GLU 75 3HG GLU 75 -9.023 6.740 -4.827 Start of MODEL 15 1 1H MET 1 H1 MET 1 -11.528 -11.956 -5.699 2 2H MET 1 H2 MET 1 -12.397 -13.260 -5.637 3 3H MET 1 H3 MET 1 -11.415 -13.029 -6.960 4 HA MET 1 HA MET 1 -13.776 -12.592 -7.486 5 1HB MET 1 2HB MET 1 -13.267 -10.296 -5.555 6 2HB MET 1 3HB MET 1 -14.626 -10.354 -6.695 7 1HG MET 1 2HG MET 1 -15.485 -12.377 -5.617 8 2HG MET 1 3HG MET 1 -14.110 -12.399 -4.505 9 1HE MET 1 1HE MET 1 -17.063 -12.632 -3.471 10 2HE MET 1 2HE MET 1 -15.608 -12.631 -2.436 11 3HE MET 1 3HE MET 1 -16.965 -11.539 -2.066 12 H GLY 2 H GLY 2 -12.709 -9.269 -7.327 13 1HA GLY 2 2HA GLY 2 -10.825 -9.489 -9.546 14 2HA GLY 2 1HA GLY 2 -12.325 -8.580 -9.864 15 H ASP 3 H ASP 3 -9.670 -7.357 -9.745 16 HA ASP 3 HA ASP 3 -8.500 -6.759 -7.556 17 1HB ASP 3 2HB ASP 3 -9.052 -4.550 -9.543 18 2HB ASP 3 3HB ASP 3 -7.642 -4.772 -8.473 19 H GLY 4 H GLY 4 -9.145 -6.192 -5.575 20 1HA GLY 4 2HA GLY 4 -10.963 -3.972 -4.960 21 2HA GLY 4 1HA GLY 4 -9.891 -4.863 -3.862 22 H VAL 5 H VAL 5 -9.927 -2.518 -6.512 23 HA VAL 5 HA VAL 5 -7.185 -1.626 -6.070 24 HB VAL 5 HB VAL 5 -7.680 0.111 -7.677 25 1HG1 VAL 5 1HG1 VAL 5 -7.174 -2.260 -8.397 26 2HG1 VAL 5 2HG1 VAL 5 -8.918 -2.483 -8.636 27 3HG1 VAL 5 3HG1 VAL 5 -8.041 -1.285 -9.600 28 1HG2 VAL 5 1HG2 VAL 5 -10.576 -0.851 -7.626 29 2HG2 VAL 5 2HG2 VAL 5 -9.975 0.771 -7.213 30 3HG2 VAL 5 3HG2 VAL 5 -9.868 0.190 -8.873 31 H LEU 6 H LEU 6 -6.510 -0.271 -4.438 32 HA LEU 6 HA LEU 6 -8.382 1.755 -3.389 33 1HB LEU 6 2HB LEU 6 -8.672 -0.213 -1.964 34 2HB LEU 6 3HB LEU 6 -6.913 -0.423 -1.856 35 HG LEU 6 HG LEU 6 -6.741 1.727 -0.663 36 1HD1 LEU 6 1HD1 LEU 6 -9.797 1.609 -0.608 37 2HD1 LEU 6 2HD1 LEU 6 -8.799 2.725 0.346 38 3HD1 LEU 6 3HD1 LEU 6 -8.829 2.857 -1.415 39 1HD2 LEU 6 1HD2 LEU 6 -6.851 -0.418 0.552 40 2HD2 LEU 6 2HD2 LEU 6 -7.619 0.881 1.483 41 3HD2 LEU 6 3HD2 LEU 6 -8.623 -0.298 0.614 42 H GLU 7 H GLU 7 -7.266 3.565 -2.626 43 HA GLU 7 HA GLU 7 -4.318 3.604 -3.033 44 1HB GLU 7 2HB GLU 7 -6.255 5.891 -3.570 45 2HB GLU 7 3HB GLU 7 -4.491 5.903 -3.694 46 1HG GLU 7 2HG GLU 7 -4.907 3.817 -5.296 47 2HG GLU 7 3HG GLU 7 -6.511 4.546 -5.489 48 H LEU 8 H LEU 8 -3.251 3.998 -1.231 49 HA LEU 8 HA LEU 8 -4.551 5.523 0.981 50 1HB LEU 8 2HB LEU 8 -3.072 4.020 2.492 51 2HB LEU 8 3HB LEU 8 -4.636 3.422 1.989 52 HG LEU 8 HG LEU 8 -2.246 2.733 0.286 53 1HD1 LEU 8 1HD1 LEU 8 -1.788 0.772 1.673 54 2HD1 LEU 8 2HD1 LEU 8 -1.482 2.277 2.555 55 3HD1 LEU 8 3HD1 LEU 8 -2.966 1.334 2.878 56 1HD2 LEU 8 1HD2 LEU 8 -3.579 0.529 0.173 57 2HD2 LEU 8 2HD2 LEU 8 -4.854 1.330 1.086 58 3HD2 LEU 8 3HD2 LEU 8 -4.413 1.909 -0.535 59 H VAL 9 H VAL 9 -3.304 7.092 1.804 60 HA VAL 9 HA VAL 9 -0.901 7.772 0.275 61 HB VAL 9 HB VAL 9 -2.294 9.391 2.419 62 1HG1 VAL 9 1HG1 VAL 9 0.125 9.982 1.899 63 2HG1 VAL 9 2HG1 VAL 9 -0.352 10.180 0.207 64 3HG1 VAL 9 3HG1 VAL 9 -1.031 11.250 1.444 65 1HG2 VAL 9 1HG2 VAL 9 -3.237 10.647 0.499 66 2HG2 VAL 9 2HG2 VAL 9 -2.529 9.472 -0.627 67 3HG2 VAL 9 3HG2 VAL 9 -3.802 8.969 0.500 68 H VAL 10 H VAL 10 0.940 6.876 0.917 69 HA VAL 10 HA VAL 10 1.202 5.699 3.614 70 HB VAL 10 HB VAL 10 3.333 4.804 2.514 71 1HG1 VAL 10 1HG1 VAL 10 0.610 3.951 1.428 72 2HG1 VAL 10 2HG1 VAL 10 2.072 2.939 1.536 73 3HG1 VAL 10 3HG1 VAL 10 1.265 3.503 3.008 74 1HG2 VAL 10 1HG2 VAL 10 3.220 6.353 0.491 75 2HG2 VAL 10 2HG2 VAL 10 3.393 4.634 0.106 76 3HG2 VAL 10 3HG2 VAL 10 1.827 5.418 -0.068 77 H ARG 11 H ARG 11 1.256 7.640 4.736 78 HA ARG 11 HA ARG 11 3.268 9.683 4.096 79 1HB ARG 11 2HB ARG 11 1.328 9.209 6.373 80 2HB ARG 11 3HB ARG 11 2.512 10.530 6.415 81 1HG ARG 11 2HG ARG 11 1.556 11.564 4.474 82 2HG ARG 11 3HG ARG 11 0.555 10.150 4.116 83 1HD ARG 11 2HD ARG 11 -0.574 12.217 5.193 84 2HD ARG 11 3HD ARG 11 -1.007 10.621 5.759 85 HE ARG 11 HE ARG 11 0.699 12.635 7.148 86 1HH1 ARG 11 2HH2 ARG 11 -1.071 9.459 7.424 87 2HH1 ARG 11 1HH2 ARG 11 -0.524 9.327 9.095 88 1HH2 ARG 11 2HH1 ARG 11 1.324 12.193 9.369 89 2HH2 ARG 11 1HH1 ARG 11 0.791 10.680 10.059 90 H GLY 12 H GLY 12 5.240 9.999 5.149 91 1HA GLY 12 2HA GLY 12 6.708 9.476 7.057 92 2HA GLY 12 1HA GLY 12 6.219 7.785 6.939 93 H MET 13 H MET 13 6.223 7.854 3.868 94 HA MET 13 HA MET 13 8.930 7.135 3.445 95 1HB MET 13 2HB MET 13 8.279 6.984 1.144 96 2HB MET 13 3HB MET 13 6.917 6.401 2.120 97 1HG MET 13 2HG MET 13 5.962 8.800 1.931 98 2HG MET 13 3HG MET 13 7.216 9.097 0.735 99 1HE MET 13 1HE MET 13 6.253 6.482 -2.025 100 2HE MET 13 2HE MET 13 7.531 7.542 -1.355 101 3HE MET 13 3HE MET 13 7.112 6.012 -0.535 102 H THR 14 H THR 14 10.442 8.191 2.004 103 HA THR 14 HA THR 14 10.185 11.148 1.706 104 HB THR 14 HB THR 14 12.614 11.287 2.371 105 HG1 THR 14 1HG THR 14 12.131 8.754 3.566 106 1HG2 THR 14 1HG2 THR 14 12.219 11.292 4.784 107 2HG2 THR 14 2HG2 THR 14 10.806 11.962 3.945 108 3HG2 THR 14 3HG2 THR 14 10.755 10.311 4.595 109 H CYS 15 H CYS 15 12.538 8.568 1.140 110 HA CYS 15 HA CYS 15 12.922 9.555 -1.655 111 1HB CYS 15 2HB CYS 15 15.249 8.959 -1.306 112 2HB CYS 15 3HB CYS 15 14.685 9.956 0.033 113 H ALA 16 H ALA 16 14.089 7.923 -3.046 114 HA ALA 16 HA ALA 16 12.480 5.868 -3.887 115 1HB ALA 16 1HB ALA 16 15.517 6.004 -4.059 116 2HB ALA 16 2HB ALA 16 14.458 5.001 -5.073 117 3HB ALA 16 3HB ALA 16 14.363 6.770 -5.175 118 H SER 17 H SER 17 15.130 5.638 -1.470 119 HA SER 17 HA SER 17 15.252 2.948 -1.001 120 1HB SER 17 2HB SER 17 15.281 5.020 1.194 121 2HB SER 17 3HB SER 17 16.226 3.530 1.067 122 HG SER 17 HG SER 17 17.062 5.827 0.335 123 H CYS 18 H CYS 18 12.839 5.304 0.264 124 HA CYS 18 HA CYS 18 11.481 3.349 1.943 125 1HB CYS 18 2HB CYS 18 10.570 6.065 0.919 126 2HB CYS 18 3HB CYS 18 9.804 5.090 2.173 127 H VAL 19 H VAL 19 11.035 4.823 -1.287 128 HA VAL 19 HA VAL 19 8.412 3.954 -1.833 129 HB VAL 19 HB VAL 19 10.734 4.248 -3.806 130 1HG1 VAL 19 1HG1 VAL 19 8.764 3.089 -4.809 131 2HG1 VAL 19 2HG1 VAL 19 7.762 4.488 -4.332 132 3HG1 VAL 19 3HG1 VAL 19 9.073 4.683 -5.503 133 1HG2 VAL 19 1HG2 VAL 19 8.652 6.287 -2.985 134 2HG2 VAL 19 2HG2 VAL 19 10.333 6.294 -2.431 135 3HG2 VAL 19 3HG2 VAL 19 9.984 6.503 -4.145 136 H HIS 20 H HIS 20 11.528 2.396 -2.796 137 HA HIS 20 HA HIS 20 10.149 0.130 -3.813 138 1HB HIS 20 2HB HIS 20 12.311 -0.792 -4.204 139 2HB HIS 20 3HB HIS 20 12.130 0.875 -4.755 140 HD1 HIS 20 1HD HIS 20 14.651 1.387 -4.894 141 HD2 HIS 20 2HD HIS 20 13.376 -0.094 -1.180 142 HE1 HIS 20 1HE HIS 20 16.688 1.408 -3.357 143 H LYS 21 H LYS 21 11.312 0.855 -0.532 144 HA LYS 21 HA LYS 21 11.221 -1.698 0.596 145 1HB LYS 21 2HB LYS 21 11.760 0.760 1.487 146 2HB LYS 21 3HB LYS 21 10.091 0.740 2.030 147 1HG LYS 21 2HG LYS 21 12.189 -1.334 2.710 148 2HG LYS 21 3HG LYS 21 11.911 0.152 3.614 149 1HD LYS 21 2HD LYS 21 9.373 -0.713 3.726 150 2HD LYS 21 3HD LYS 21 10.102 -2.269 3.343 151 1HE LYS 21 2HE LYS 21 9.965 -2.184 5.739 152 2HE LYS 21 3HE LYS 21 11.666 -1.924 5.333 153 1HZ LYS 21 1HZ LYS 21 11.121 0.525 5.583 154 2HZ LYS 21 2HZ LYS 21 9.684 0.075 6.259 155 3HZ LYS 21 3HZ LYS 21 11.067 -0.367 6.960 156 H ILE 22 H ILE 22 8.631 0.756 0.112 157 HA ILE 22 HA ILE 22 6.540 -0.916 1.162 158 HB ILE 22 HB ILE 22 6.076 1.231 -0.943 159 1HG1 ILE 22 2HG1 ILE 22 6.893 1.444 1.926 160 2HG1 ILE 22 3HG1 ILE 22 7.400 2.369 0.492 161 1HG2 ILE 22 1HG2 ILE 22 4.169 -0.243 -0.303 162 2HG2 ILE 22 2HG2 ILE 22 4.398 0.219 1.398 163 3HG2 ILE 22 3HG2 ILE 22 3.904 1.425 0.190 164 1HD1 ILE 22 1HD1 ILE 22 6.158 3.795 2.001 165 2HD1 ILE 22 2HD1 ILE 22 5.311 3.588 0.460 166 3HD1 ILE 22 3HD1 ILE 22 4.751 2.723 1.923 167 H GLU 23 H GLU 23 7.430 -0.102 -2.219 168 HA GLU 23 HA GLU 23 5.500 -1.670 -3.418 169 1HB GLU 23 2HB GLU 23 7.667 -0.087 -4.282 170 2HB GLU 23 3HB GLU 23 8.003 -1.654 -5.011 171 1HG GLU 23 2HG GLU 23 5.884 -1.645 -6.159 172 2HG GLU 23 3HG GLU 23 5.276 -0.327 -5.145 173 H SER 24 H SER 24 8.893 -2.723 -2.850 174 HA SER 24 HA SER 24 8.558 -5.361 -3.787 175 1HB SER 24 2HB SER 24 10.557 -5.918 -2.510 176 2HB SER 24 3HB SER 24 10.759 -4.379 -3.362 177 HG SER 24 HG SER 24 10.408 -3.306 -1.414 178 H SER 25 H SER 25 8.203 -4.054 -0.450 179 HA SER 25 HA SER 25 7.755 -6.646 0.677 180 1HB SER 25 2HB SER 25 8.719 -4.617 1.777 181 2HB SER 25 3HB SER 25 7.074 -3.966 1.883 182 HG SER 25 HG SER 25 7.897 -5.234 3.749 183 H LEU 26 H LEU 26 5.556 -4.250 -0.701 184 HA LEU 26 HA LEU 26 3.134 -5.605 0.242 185 1HB LEU 26 2HB LEU 26 3.778 -3.469 -1.779 186 2HB LEU 26 3HB LEU 26 2.272 -4.357 -1.961 187 HG LEU 26 HG LEU 26 2.151 -2.193 -0.669 188 1HD1 LEU 26 1HD1 LEU 26 1.102 -4.692 0.718 189 2HD1 LEU 26 2HD1 LEU 26 0.501 -3.038 0.930 190 3HD1 LEU 26 3HD1 LEU 26 0.342 -3.836 -0.639 191 1HD2 LEU 26 1HD2 LEU 26 2.652 -2.193 1.695 192 2HD2 LEU 26 2HD2 LEU 26 3.334 -3.820 1.632 193 3HD2 LEU 26 3HD2 LEU 26 4.142 -2.475 0.804 194 H THR 27 H THR 27 5.081 -5.729 -2.824 195 HA THR 27 HA THR 27 3.404 -7.788 -3.951 196 HB THR 27 HB THR 27 5.329 -7.967 -5.582 197 HG1 THR 27 1HG THR 27 6.791 -7.097 -3.770 198 1HG2 THR 27 1HG2 THR 27 3.454 -6.377 -5.951 199 2HG2 THR 27 2HG2 THR 27 4.325 -5.139 -5.017 200 3HG2 THR 27 3HG2 THR 27 4.999 -5.732 -6.543 201 H LYS 28 H LYS 28 3.391 -9.106 -1.950 202 HA LYS 28 HA LYS 28 4.944 -11.493 -2.424 203 1HB LYS 28 2HB LYS 28 6.015 -11.680 -0.201 204 2HB LYS 28 3HB LYS 28 6.673 -10.391 -1.197 205 1HG LYS 28 2HG LYS 28 6.490 -9.101 0.604 206 2HG LYS 28 3HG LYS 28 4.786 -8.982 0.184 207 1HD LYS 28 2HD LYS 28 4.355 -10.972 1.724 208 2HD LYS 28 3HD LYS 28 6.067 -10.894 2.182 209 1HE LYS 28 2HE LYS 28 5.752 -8.527 2.936 210 2HE LYS 28 3HE LYS 28 4.044 -8.606 2.474 211 1HZ LYS 28 1HZ LYS 28 3.735 -10.309 4.135 212 2HZ LYS 28 2HZ LYS 28 5.325 -10.227 4.570 213 3HZ LYS 28 3HZ LYS 28 4.337 -8.933 4.800 214 H HIS 29 H HIS 29 2.722 -9.729 -0.174 215 HA HIS 29 HA HIS 29 1.696 -12.257 0.844 216 1HB HIS 29 2HB HIS 29 0.192 -11.100 2.135 217 2HB HIS 29 3HB HIS 29 1.721 -10.233 2.222 218 HD1 HIS 29 1HD HIS 29 -1.906 -9.756 1.393 219 HD2 HIS 29 2HD HIS 29 1.773 -7.757 0.976 220 HE1 HIS 29 1HE HIS 29 -2.455 -7.343 0.842 221 H ARG 30 H ARG 30 0.298 -13.547 -0.360 222 HA ARG 30 HA ARG 30 -0.597 -12.743 -2.912 223 1HB ARG 30 2HB ARG 30 -0.057 -15.044 -2.291 224 2HB ARG 30 3HB ARG 30 -1.453 -15.102 -1.214 225 1HG ARG 30 2HG ARG 30 -1.820 -16.342 -3.242 226 2HG ARG 30 3HG ARG 30 -2.996 -15.057 -3.112 227 1HD ARG 30 2HD ARG 30 -0.457 -14.895 -4.815 228 2HD ARG 30 3HD ARG 30 -1.969 -15.536 -5.436 229 HE ARG 30 HE ARG 30 -1.273 -12.741 -5.008 230 1HH1 ARG 30 2HH2 ARG 30 -4.094 -14.913 -5.249 231 2HH1 ARG 30 1HH2 ARG 30 -5.187 -13.575 -5.574 232 1HH2 ARG 30 2HH1 ARG 30 -2.725 -11.111 -5.343 233 2HH2 ARG 30 1HH1 ARG 30 -4.407 -11.412 -5.675 234 H GLY 31 H GLY 31 -1.921 -11.623 -0.064 235 1HA GLY 31 2HA GLY 31 -4.700 -11.351 -0.865 236 2HA GLY 31 1HA GLY 31 -3.752 -10.248 0.151 237 H ILE 32 H ILE 32 -1.597 -9.700 -1.646 238 HA ILE 32 HA ILE 32 -2.907 -7.594 -3.180 239 HB ILE 32 HB ILE 32 -0.456 -7.914 -1.765 240 1HG1 ILE 32 2HG1 ILE 32 -1.997 -5.892 -1.996 241 2HG1 ILE 32 3HG1 ILE 32 -0.252 -5.602 -1.955 242 1HG2 ILE 32 1HG2 ILE 32 0.094 -7.481 -4.714 243 2HG2 ILE 32 2HG2 ILE 32 1.203 -7.124 -3.384 244 3HG2 ILE 32 3HG2 ILE 32 0.686 -8.798 -3.672 245 1HD1 ILE 32 1HD1 ILE 32 -0.160 -5.311 -4.344 246 2HD1 ILE 32 2HD1 ILE 32 -1.871 -5.732 -4.497 247 3HD1 ILE 32 3HD1 ILE 32 -1.391 -4.243 -3.665 248 H LEU 33 H LEU 33 -2.809 -7.464 -5.402 249 HA LEU 33 HA LEU 33 -1.601 -9.749 -6.895 250 1HB LEU 33 2HB LEU 33 -3.393 -9.898 -8.266 251 2HB LEU 33 3HB LEU 33 -4.132 -9.511 -6.748 252 HG LEU 33 HG LEU 33 -3.853 -6.974 -7.752 253 1HD1 LEU 33 1HD1 LEU 33 -4.544 -8.773 -10.103 254 2HD1 LEU 33 2HD1 LEU 33 -4.596 -6.999 -10.072 255 3HD1 LEU 33 3HD1 LEU 33 -3.040 -7.841 -9.936 256 1HD2 LEU 33 1HD2 LEU 33 -6.240 -7.093 -8.154 257 2HD2 LEU 33 2HD2 LEU 33 -6.186 -8.871 -8.143 258 3HD2 LEU 33 3HD2 LEU 33 -5.819 -7.955 -6.664 259 H TYR 34 H TYR 34 -2.002 -6.162 -6.681 260 HA TYR 34 HA TYR 34 0.609 -5.992 -7.930 261 1HB TYR 34 2HB TYR 34 -0.808 -5.940 -9.946 262 2HB TYR 34 3HB TYR 34 -1.822 -4.697 -9.225 263 HD1 TYR 34 HD1 TYR 34 -1.100 -2.354 -9.160 264 HD2 TYR 34 HD2 TYR 34 1.543 -5.429 -10.627 265 HE1 TYR 34 HE1 TYR 34 0.401 -0.620 -10.080 266 HE2 TYR 34 HE2 TYR 34 3.050 -3.684 -11.546 267 HH TYR 34 HH TYR 34 2.355 -0.192 -11.279 268 H CYS 35 H CYS 35 1.666 -4.161 -7.118 269 HA CYS 35 HA CYS 35 0.046 -2.125 -5.747 270 1HB CYS 35 2HB CYS 35 0.948 -3.466 -3.886 271 2HB CYS 35 3HB CYS 35 2.573 -3.411 -4.605 272 HG CYS 35 HG CYS 35 0.666 -0.879 -3.696 273 H SER 36 H SER 36 0.974 -0.026 -6.036 274 HA SER 36 HA SER 36 3.727 0.038 -6.664 275 1HB SER 36 2HB SER 36 3.036 -0.099 -8.968 276 2HB SER 36 3HB SER 36 1.896 1.258 -8.759 277 HG SER 36 HG SER 36 4.680 1.516 -8.221 278 H VAL 37 H VAL 37 4.665 2.035 -6.055 279 HA VAL 37 HA VAL 37 2.810 3.892 -4.654 280 HB VAL 37 HB VAL 37 5.108 4.499 -3.456 281 1HG1 VAL 37 1HG1 VAL 37 4.579 2.870 -1.665 282 2HG1 VAL 37 2HG1 VAL 37 3.194 3.800 -2.226 283 3HG1 VAL 37 3HG1 VAL 37 3.389 2.100 -2.739 284 1HG2 VAL 37 1HG2 VAL 37 5.531 1.528 -3.883 285 2HG2 VAL 37 2HG2 VAL 37 6.369 2.750 -4.867 286 3HG2 VAL 37 3HG2 VAL 37 6.586 2.708 -3.101 287 H ALA 38 H ALA 38 3.197 6.102 -4.743 288 HA ALA 38 HA ALA 38 5.322 7.039 -6.585 289 1HB ALA 38 1HB ALA 38 2.464 8.028 -6.850 290 2HB ALA 38 2HB ALA 38 3.907 8.610 -7.704 291 3HB ALA 38 3HB ALA 38 3.303 6.959 -8.011 292 H LEU 39 H LEU 39 6.315 8.727 -5.876 293 HA LEU 39 HA LEU 39 5.925 9.788 -3.245 294 1HB LEU 39 2HB LEU 39 7.584 10.996 -5.494 295 2HB LEU 39 3HB LEU 39 7.728 11.294 -3.766 296 HG LEU 39 HG LEU 39 7.998 8.491 -3.972 297 1HD1 LEU 39 1HD1 LEU 39 8.269 8.707 -6.447 298 2HD1 LEU 39 2HD1 LEU 39 9.577 9.878 -6.195 299 3HD1 LEU 39 3HD1 LEU 39 9.780 8.197 -5.682 300 1HD2 LEU 39 1HD2 LEU 39 9.241 9.956 -2.455 301 2HD2 LEU 39 2HD2 LEU 39 10.353 8.931 -3.374 302 3HD2 LEU 39 3HD2 LEU 39 10.154 10.638 -3.819 303 H ALA 40 H ALA 40 5.095 10.904 -6.485 304 HA ALA 40 HA ALA 40 4.649 13.533 -6.338 305 1HB ALA 40 1HB ALA 40 2.895 13.246 -8.050 306 2HB ALA 40 2HB ALA 40 4.268 12.162 -8.342 307 3HB ALA 40 3HB ALA 40 2.764 11.523 -7.641 308 H THR 41 H THR 41 2.377 11.146 -4.968 309 HA THR 41 HA THR 41 1.327 13.270 -3.228 310 HB THR 41 HB THR 41 -0.088 13.299 -5.162 311 HG1 THR 41 1HG THR 41 -0.956 13.796 -3.112 312 1HG2 THR 41 1HG2 THR 41 -0.999 10.522 -4.467 313 2HG2 THR 41 2HG2 THR 41 -1.659 11.580 -5.725 314 3HG2 THR 41 3HG2 THR 41 0.001 10.961 -5.882 315 H ASN 42 H ASN 42 3.161 11.368 -2.909 316 HA ASN 42 HA ASN 42 3.835 9.488 -1.744 317 1HB ASN 42 2HB ASN 42 2.151 10.988 0.306 318 2HB ASN 42 3HB ASN 42 3.383 9.785 0.702 319 1HD2 ASN 42 1HD2 ASN 42 5.607 10.281 -0.601 320 2HD2 ASN 42 2HD2 ASN 42 6.129 11.946 -0.391 321 H LYS 43 H LYS 43 2.029 8.449 -3.318 322 HA LYS 43 HA LYS 43 -0.175 7.258 -1.682 323 1HB LYS 43 2HB LYS 43 -1.297 6.885 -3.790 324 2HB LYS 43 3HB LYS 43 -0.988 8.576 -3.467 325 1HG LYS 43 2HG LYS 43 0.572 8.766 -5.221 326 2HG LYS 43 3HG LYS 43 1.003 7.062 -5.178 327 1HD LYS 43 2HD LYS 43 -0.269 7.533 -7.199 328 2HD LYS 43 3HD LYS 43 -1.064 6.355 -6.143 329 1HE LYS 43 2HE LYS 43 -2.525 8.237 -5.251 330 2HE LYS 43 3HE LYS 43 -1.829 9.301 -6.461 331 1HZ LYS 43 1HZ LYS 43 -2.944 8.132 -8.145 332 2HZ LYS 43 2HZ LYS 43 -3.076 6.743 -7.245 333 3HZ LYS 43 3HZ LYS 43 -4.010 7.937 -6.871 334 H ALA 44 H ALA 44 -0.502 5.078 -1.605 335 HA ALA 44 HA ALA 44 1.163 3.293 -3.328 336 1HB ALA 44 1HB ALA 44 1.625 3.035 -0.834 337 2HB ALA 44 2HB ALA 44 -0.079 2.615 -0.631 338 3HB ALA 44 3HB ALA 44 0.986 1.602 -1.641 339 H HIS 45 H HIS 45 -0.100 2.453 -4.964 340 HA HIS 45 HA HIS 45 -2.983 2.360 -4.702 341 1HB HIS 45 2HB HIS 45 -1.709 3.251 -6.745 342 2HB HIS 45 3HB HIS 45 -1.021 1.634 -6.955 343 HD1 HIS 45 1HD HIS 45 -4.072 3.679 -7.487 344 HD2 HIS 45 2HD HIS 45 -3.147 -0.351 -6.828 345 HE1 HIS 45 1HE HIS 45 -6.196 2.387 -7.851 346 H ILE 46 H ILE 46 -3.661 0.443 -3.820 347 HA ILE 46 HA ILE 46 -1.931 -1.999 -3.968 348 HB ILE 46 HB ILE 46 -3.884 -0.982 -1.869 349 1HG1 ILE 46 2HG1 ILE 46 -2.089 -1.541 -0.292 350 2HG1 ILE 46 3HG1 ILE 46 -1.052 -2.121 -1.605 351 1HG2 ILE 46 1HG2 ILE 46 -3.927 -3.078 -0.790 352 2HG2 ILE 46 2HG2 ILE 46 -4.307 -3.470 -2.461 353 3HG2 ILE 46 3HG2 ILE 46 -2.685 -3.764 -1.846 354 1HD1 ILE 46 1HD1 ILE 46 -2.025 0.750 -1.462 355 2HD1 ILE 46 2HD1 ILE 46 -0.586 0.170 -0.594 356 3HD1 ILE 46 3HD1 ILE 46 -0.642 0.078 -2.358 357 H LYS 47 H LYS 47 -2.821 -3.526 -5.334 358 HA LYS 47 HA LYS 47 -5.773 -3.457 -5.815 359 1HB LYS 47 2HB LYS 47 -3.555 -4.682 -7.498 360 2HB LYS 47 3HB LYS 47 -5.286 -4.624 -7.814 361 1HG LYS 47 2HG LYS 47 -4.951 -2.003 -7.630 362 2HG LYS 47 3HG LYS 47 -3.231 -2.333 -7.826 363 1HD LYS 47 2HD LYS 47 -3.681 -3.556 -9.945 364 2HD LYS 47 3HD LYS 47 -5.415 -3.504 -9.643 365 1HE LYS 47 2HE LYS 47 -5.365 -1.007 -9.839 366 2HE LYS 47 3HE LYS 47 -3.684 -1.130 -10.384 367 1HZ LYS 47 1HZ LYS 47 -5.986 -2.506 -11.629 368 2HZ LYS 47 2HZ LYS 47 -5.310 -1.116 -12.206 369 3HZ LYS 47 3HZ LYS 47 -4.450 -2.520 -12.189 370 H TYR 48 H TYR 48 -6.436 -4.695 -4.065 371 HA TYR 48 HA TYR 48 -5.039 -7.288 -3.584 372 1HB TYR 48 2HB TYR 48 -5.892 -7.241 -1.381 373 2HB TYR 48 3HB TYR 48 -5.047 -5.750 -1.692 374 HD1 TYR 48 HD1 TYR 48 -8.298 -7.323 -0.945 375 HD2 TYR 48 HD2 TYR 48 -6.385 -3.581 -1.901 376 HE1 TYR 48 HE1 TYR 48 -10.189 -6.079 0.072 377 HE2 TYR 48 HE2 TYR 48 -8.299 -2.361 -0.978 378 HH TYR 48 HH TYR 48 -10.398 -2.519 -0.050 379 H ASP 49 H ASP 49 -6.214 -9.210 -3.434 380 HA ASP 49 HA ASP 49 -8.623 -9.353 -5.033 381 1HB ASP 49 2HB ASP 49 -7.504 -11.489 -3.196 382 2HB ASP 49 3HB ASP 49 -8.666 -11.667 -4.525 383 HA PRO 50 HA PRO 50 -10.636 -7.956 -1.272 384 1HB PRO 50 2HB PRO 50 -13.008 -7.035 -2.174 385 2HB PRO 50 3HB PRO 50 -11.466 -6.340 -2.738 386 1HG PRO 50 2HG PRO 50 -13.116 -8.479 -4.108 387 2HG PRO 50 3HG PRO 50 -12.512 -6.952 -4.820 388 1HD PRO 50 2HD PRO 50 -11.146 -9.335 -5.080 389 2HD PRO 50 3HD PRO 50 -10.308 -7.778 -4.927 390 H GLU 51 H GLU 51 -10.457 -10.411 -0.807 391 HA GLU 51 HA GLU 51 -13.119 -11.224 0.215 392 1HB GLU 51 2HB GLU 51 -12.601 -13.606 -0.536 393 2HB GLU 51 3HB GLU 51 -13.161 -12.449 -1.733 394 1HG GLU 51 2HG GLU 51 -10.247 -12.389 -1.788 395 2HG GLU 51 3HG GLU 51 -10.808 -14.057 -1.850 396 H ILE 52 H ILE 52 -10.091 -13.070 0.110 397 HA ILE 52 HA ILE 52 -10.315 -13.644 2.893 398 HB ILE 52 HB ILE 52 -8.190 -14.793 2.686 399 1HG1 ILE 52 2HG1 ILE 52 -7.435 -14.866 0.053 400 2HG1 ILE 52 3HG1 ILE 52 -7.832 -13.160 0.192 401 1HG2 ILE 52 1HG2 ILE 52 -9.962 -15.281 0.263 402 2HG2 ILE 52 2HG2 ILE 52 -8.886 -16.441 1.064 403 3HG2 ILE 52 3HG2 ILE 52 -10.305 -15.822 1.921 404 1HD1 ILE 52 1HD1 ILE 52 -6.265 -13.092 2.230 405 2HD1 ILE 52 2HD1 ILE 52 -5.867 -14.782 1.878 406 3HD1 ILE 52 3HD1 ILE 52 -5.474 -13.517 0.697 407 H ILE 53 H ILE 53 -8.233 -11.345 1.147 408 HA ILE 53 HA ILE 53 -7.015 -10.406 3.653 409 HB ILE 53 HB ILE 53 -5.790 -10.814 1.425 410 1HG1 ILE 53 2HG1 ILE 53 -4.473 -8.577 1.603 411 2HG1 ILE 53 3HG1 ILE 53 -5.492 -8.238 2.994 412 1HG2 ILE 53 1HG2 ILE 53 -6.876 -8.080 0.720 413 2HG2 ILE 53 2HG2 ILE 53 -5.887 -9.167 -0.273 414 3HG2 ILE 53 3HG2 ILE 53 -7.558 -9.599 0.091 415 1HD1 ILE 53 1HD1 ILE 53 -4.690 -10.388 4.037 416 2HD1 ILE 53 2HD1 ILE 53 -3.710 -10.698 2.591 417 3HD1 ILE 53 3HD1 ILE 53 -3.341 -9.308 3.627 418 H GLY 54 H GLY 54 -7.245 -8.142 4.300 419 1HA GLY 54 2HA GLY 54 -9.411 -6.576 2.948 420 2HA GLY 54 1HA GLY 54 -9.424 -6.813 4.709 421 HA PRO 55 HA PRO 55 -6.782 -3.046 3.292 422 1HB PRO 55 2HB PRO 55 -8.290 -1.125 4.586 423 2HB PRO 55 3HB PRO 55 -8.510 -1.616 2.884 424 1HG PRO 55 2HG PRO 55 -10.050 -2.596 5.296 425 2HG PRO 55 3HG PRO 55 -10.700 -2.045 3.726 426 1HD PRO 55 2HD PRO 55 -10.403 -4.673 4.247 427 2HD PRO 55 3HD PRO 55 -9.974 -4.042 2.634 428 H ARG 56 H ARG 56 -8.450 -4.053 6.264 429 HA ARG 56 HA ARG 56 -6.873 -3.086 8.293 430 1HB ARG 56 2HB ARG 56 -7.602 -4.976 9.568 431 2HB ARG 56 3HB ARG 56 -8.904 -4.615 8.428 432 1HG ARG 56 2HG ARG 56 -7.795 -6.387 6.887 433 2HG ARG 56 3HG ARG 56 -6.820 -6.793 8.328 434 1HD ARG 56 2HD ARG 56 -8.839 -7.540 9.474 435 2HD ARG 56 3HD ARG 56 -9.785 -7.173 8.005 436 HE ARG 56 HE ARG 56 -7.312 -8.851 7.822 437 1HH1 ARG 56 2HH2 ARG 56 -10.846 -9.070 7.702 438 2HH1 ARG 56 1HH2 ARG 56 -10.843 -10.234 6.402 439 1HH2 ARG 56 2HH1 ARG 56 -7.353 -10.059 5.990 440 2HH2 ARG 56 1HH1 ARG 56 -8.735 -11.024 5.525 441 H ASP 57 H ASP 57 -6.048 -5.857 6.105 442 HA ASP 57 HA ASP 57 -3.784 -6.651 7.716 443 1HB ASP 57 2HB ASP 57 -4.435 -7.428 4.855 444 2HB ASP 57 3HB ASP 57 -3.385 -8.287 5.988 445 H ILE 58 H ILE 58 -4.303 -5.074 4.598 446 HA ILE 58 HA ILE 58 -1.669 -4.419 3.819 447 HB ILE 58 HB ILE 58 -4.361 -3.017 3.548 448 1HG1 ILE 58 2HG1 ILE 58 -4.003 -5.177 2.338 449 2HG1 ILE 58 3HG1 ILE 58 -4.408 -3.792 1.328 450 1HG2 ILE 58 1HG2 ILE 58 -3.341 -1.583 1.773 451 2HG2 ILE 58 2HG2 ILE 58 -2.890 -1.166 3.423 452 3HG2 ILE 58 3HG2 ILE 58 -1.738 -2.043 2.401 453 1HD1 ILE 58 1HD1 ILE 58 -1.602 -4.925 1.733 454 2HD1 ILE 58 2HD1 ILE 58 -2.624 -5.100 0.291 455 3HD1 ILE 58 3HD1 ILE 58 -1.991 -3.517 0.747 456 H ILE 59 H ILE 59 -3.931 -2.618 5.921 457 HA ILE 59 HA ILE 59 -2.127 -0.542 6.441 458 HB ILE 59 HB ILE 59 -4.645 -1.531 7.710 459 1HG1 ILE 59 2HG1 ILE 59 -3.963 1.139 6.427 460 2HG1 ILE 59 3HG1 ILE 59 -4.440 -0.281 5.494 461 1HG2 ILE 59 1HG2 ILE 59 -2.969 0.755 8.815 462 2HG2 ILE 59 2HG2 ILE 59 -4.675 0.475 9.202 463 3HG2 ILE 59 3HG2 ILE 59 -3.465 -0.715 9.667 464 1HD1 ILE 59 1HD1 ILE 59 -6.097 1.183 7.545 465 2HD1 ILE 59 2HD1 ILE 59 -6.373 0.969 5.797 466 3HD1 ILE 59 3HD1 ILE 59 -6.528 -0.423 6.892 467 H HIS 60 H HIS 60 -2.828 -3.486 8.394 468 HA HIS 60 HA HIS 60 -1.042 -2.914 10.533 469 1HB HIS 60 2HB HIS 60 -1.688 -5.648 9.353 470 2HB HIS 60 3HB HIS 60 -1.072 -5.316 10.973 471 HD1 HIS 60 1HD HIS 60 -3.871 -6.829 10.237 472 HD2 HIS 60 2HD HIS 60 -3.326 -2.844 11.487 473 HE1 HIS 60 1HE HIS 60 -6.069 -6.084 11.292 474 H THR 61 H THR 61 -0.588 -4.455 7.409 475 HA THR 61 HA THR 61 2.120 -5.317 7.744 476 HB THR 61 HB THR 61 0.465 -4.671 5.283 477 HG1 THR 61 1HG THR 61 -0.344 -6.343 6.438 478 1HG2 THR 61 1HG2 THR 61 2.860 -4.696 4.596 479 2HG2 THR 61 2HG2 THR 61 3.102 -6.217 5.490 480 3HG2 THR 61 3HG2 THR 61 2.054 -6.187 4.062 481 H ILE 62 H ILE 62 0.805 -2.341 6.100 482 HA ILE 62 HA ILE 62 3.416 -1.285 5.625 483 HB ILE 62 HB ILE 62 0.689 0.003 5.632 484 1HG1 ILE 62 2HG1 ILE 62 2.565 -0.693 3.338 485 2HG1 ILE 62 3HG1 ILE 62 1.344 -1.832 3.923 486 1HG2 ILE 62 1HG2 ILE 62 3.390 1.115 4.727 487 2HG2 ILE 62 2HG2 ILE 62 1.830 1.876 4.390 488 3HG2 ILE 62 3HG2 ILE 62 2.391 1.760 6.045 489 1HD1 ILE 62 1HD1 ILE 62 -0.433 -0.168 3.464 490 2HD1 ILE 62 2HD1 ILE 62 0.778 0.892 2.702 491 3HD1 ILE 62 3HD1 ILE 62 0.444 -0.701 2.015 492 H GLU 63 H GLU 63 1.137 -0.788 8.351 493 HA GLU 63 HA GLU 63 2.648 1.109 9.815 494 1HB GLU 63 2HB GLU 63 0.863 -1.195 10.673 495 2HB GLU 63 3HB GLU 63 1.555 -0.034 11.810 496 1HG GLU 63 2HG GLU 63 0.446 1.829 10.742 497 2HG GLU 63 3HG GLU 63 -0.134 0.821 9.418 498 H SER 64 H SER 64 2.850 -2.502 9.836 499 HA SER 64 HA SER 64 5.140 -2.644 11.502 500 1HB SER 64 2HB SER 64 4.435 -4.585 9.266 501 2HB SER 64 3HB SER 64 5.467 -4.874 10.669 502 HG SER 64 HG SER 64 2.680 -4.273 10.716 503 H LEU 65 H LEU 65 4.917 -2.102 7.962 504 HA LEU 65 HA LEU 65 7.787 -2.159 7.561 505 1HB LEU 65 2HB LEU 65 5.749 -0.672 5.874 506 2HB LEU 65 3HB LEU 65 7.395 -1.109 5.432 507 HG LEU 65 HG LEU 65 5.052 -2.990 5.807 508 1HD1 LEU 65 1HD1 LEU 65 6.781 -2.310 3.421 509 2HD1 LEU 65 2HD1 LEU 65 5.421 -3.466 3.453 510 3HD1 LEU 65 3HD1 LEU 65 5.127 -1.739 3.708 511 1HD2 LEU 65 1HD2 LEU 65 6.528 -4.827 5.231 512 2HD2 LEU 65 2HD2 LEU 65 7.943 -3.739 5.269 513 3HD2 LEU 65 3HD2 LEU 65 7.029 -4.109 6.751 514 H GLY 66 H GLY 66 5.790 0.196 9.107 515 1HA GLY 66 2HA GLY 66 6.626 1.910 10.382 516 2HA GLY 66 1HA GLY 66 8.168 1.865 9.524 517 H PHE 67 H PHE 67 4.817 2.205 8.198 518 HA PHE 67 HA PHE 67 5.254 5.091 7.737 519 1HB PHE 67 2HB PHE 67 4.170 3.270 5.568 520 2HB PHE 67 3HB PHE 67 4.532 4.981 5.451 521 HD1 PHE 67 1HD PHE 67 7.062 5.660 5.795 522 HD2 PHE 67 2HD PHE 67 5.786 1.643 4.931 523 HE1 PHE 67 1HE PHE 67 9.301 5.158 4.845 524 HE2 PHE 67 2HE PHE 67 8.011 1.143 3.978 525 HZ PHE 67 HZ PHE 67 9.761 2.921 3.874 526 H GLU 68 H GLU 68 3.085 6.130 7.275 527 HA GLU 68 HA GLU 68 0.919 4.832 8.803 528 1HB GLU 68 2HB GLU 68 1.431 7.648 7.858 529 2HB GLU 68 3HB GLU 68 -0.014 7.101 8.715 530 1HG GLU 68 2HG GLU 68 1.362 6.521 10.681 531 2HG GLU 68 3HG GLU 68 2.835 6.996 9.807 532 HA PRO 69 HA PRO 69 -0.630 4.250 4.454 533 1HB PRO 69 2HB PRO 69 -2.259 2.111 4.908 534 2HB PRO 69 3HB PRO 69 -0.483 1.974 4.802 535 1HG PRO 69 2HG PRO 69 -2.190 2.160 7.281 536 2HG PRO 69 3HG PRO 69 -0.843 1.022 6.950 537 1HD PRO 69 2HD PRO 69 -0.562 3.272 8.432 538 2HD PRO 69 3HD PRO 69 0.741 2.610 7.402 539 H SER 70 H SER 70 -1.561 6.349 4.781 540 HA SER 70 HA SER 70 -3.981 6.668 6.349 541 1HB SER 70 2HB SER 70 -2.651 8.673 4.509 542 2HB SER 70 3HB SER 70 -3.703 8.990 5.891 543 HG SER 70 HG SER 70 -1.154 7.678 6.019 544 H LEU 71 H LEU 71 -5.583 5.420 5.365 545 HA LEU 71 HA LEU 71 -6.187 5.379 2.580 546 1HB LEU 71 2HB LEU 71 -8.164 4.177 3.211 547 2HB LEU 71 3HB LEU 71 -6.752 3.546 4.041 548 HG LEU 71 HG LEU 71 -8.200 5.604 5.639 549 1HD1 LEU 71 1HD1 LEU 71 -9.582 2.978 4.925 550 2HD1 LEU 71 2HD1 LEU 71 -10.102 4.119 6.185 551 3HD1 LEU 71 3HD1 LEU 71 -10.143 4.606 4.483 552 1HD2 LEU 71 1HD2 LEU 71 -6.395 4.021 6.508 553 2HD2 LEU 71 2HD2 LEU 71 -7.910 4.063 7.428 554 3HD2 LEU 71 3HD2 LEU 71 -7.596 2.726 6.317 555 H VAL 72 H VAL 72 -6.057 7.942 2.452 556 HA VAL 72 HA VAL 72 -8.164 9.496 3.415 557 HB VAL 72 HB VAL 72 -7.492 11.157 1.849 558 1HG1 VAL 72 1HG1 VAL 72 -6.001 10.660 3.790 559 2HG1 VAL 72 2HG1 VAL 72 -4.956 9.730 2.694 560 3HG1 VAL 72 3HG1 VAL 72 -5.202 11.457 2.424 561 1HG2 VAL 72 1HG2 VAL 72 -7.304 10.062 -0.256 562 2HG2 VAL 72 2HG2 VAL 72 -5.707 10.701 0.118 563 3HG2 VAL 72 3HG2 VAL 72 -6.040 8.966 0.334 564 H LYS 73 H LYS 73 -8.001 7.519 0.512 565 HA LYS 73 HA LYS 73 -9.462 6.957 -1.093 566 1HB LYS 73 2HB LYS 73 -11.068 6.668 0.852 567 2HB LYS 73 3HB LYS 73 -11.727 8.256 0.462 568 1HG LYS 73 2HG LYS 73 -11.746 5.775 -1.312 569 2HG LYS 73 3HG LYS 73 -13.119 6.545 -0.492 570 1HD LYS 73 2HD LYS 73 -12.564 8.666 -1.801 571 2HD LYS 73 3HD LYS 73 -11.441 7.643 -2.750 572 1HE LYS 73 2HE LYS 73 -13.217 6.339 -3.648 573 2HE LYS 73 3HE LYS 73 -14.423 7.130 -2.603 574 1HZ LYS 73 1HZ LYS 73 -12.780 8.720 -4.450 575 2HZ LYS 73 2HZ LYS 73 -14.220 8.032 -4.933 576 3HZ LYS 73 3HZ LYS 73 -14.199 9.100 -3.713 577 H ILE 74 H ILE 74 -8.570 8.192 -2.720 578 HA ILE 74 HA ILE 74 -8.788 11.018 -2.918 579 HB ILE 74 HB ILE 74 -7.934 10.781 -5.157 580 1HG1 ILE 74 2HG1 ILE 74 -7.401 8.184 -5.750 581 2HG1 ILE 74 3HG1 ILE 74 -8.966 7.964 -4.977 582 1HG2 ILE 74 1HG2 ILE 74 -6.591 8.729 -3.356 583 2HG2 ILE 74 2HG2 ILE 74 -5.860 9.656 -4.676 584 3HG2 ILE 74 3HG2 ILE 74 -6.415 10.492 -3.216 585 1HD1 ILE 74 1HD1 ILE 74 -9.916 9.659 -6.615 586 2HD1 ILE 74 2HD1 ILE 74 -8.303 9.793 -7.337 587 3HD1 ILE 74 3HD1 ILE 74 -9.182 8.256 -7.407 588 H GLU 75 H GLU 75 -10.220 12.421 -4.064 589 HA GLU 75 HA GLU 75 -12.276 11.491 -5.745 590 1HB GLU 75 2HB GLU 75 -13.042 11.047 -3.212 591 2HB GLU 75 3HB GLU 75 -13.229 12.794 -3.160 592 1HG GLU 75 2HG GLU 75 -14.923 12.759 -4.846 593 2HG GLU 75 3HG GLU 75 -14.526 11.112 -5.349 Start of MODEL 16 1 1H MET 1 H1 MET 1 -9.909 -9.456 -13.445 2 2H MET 1 H2 MET 1 -10.159 -9.315 -15.077 3 3H MET 1 H3 MET 1 -10.808 -8.290 -13.961 4 HA MET 1 HA MET 1 -12.575 -9.631 -14.729 5 1HB MET 1 2HB MET 1 -10.808 -11.986 -13.952 6 2HB MET 1 3HB MET 1 -12.503 -12.088 -14.454 7 1HG MET 1 2HG MET 1 -11.918 -11.081 -16.644 8 2HG MET 1 3HG MET 1 -10.202 -11.126 -16.188 9 1HE MET 1 1HE MET 1 -11.379 -12.379 -18.861 10 2HE MET 1 2HE MET 1 -9.652 -12.412 -18.414 11 3HE MET 1 3HE MET 1 -10.476 -13.911 -18.906 12 H GLY 2 H GLY 2 -12.033 -8.056 -12.417 13 1HA GLY 2 2HA GLY 2 -13.502 -7.902 -10.468 14 2HA GLY 2 1HA GLY 2 -13.352 -9.652 -10.231 15 H ASP 3 H ASP 3 -11.669 -6.565 -10.188 16 HA ASP 3 HA ASP 3 -9.092 -7.832 -9.370 17 1HB ASP 3 2HB ASP 3 -9.474 -5.475 -11.260 18 2HB ASP 3 3HB ASP 3 -8.029 -6.465 -11.005 19 H GLY 4 H GLY 4 -8.806 -7.150 -7.249 20 1HA GLY 4 2HA GLY 4 -10.188 -5.062 -6.045 21 2HA GLY 4 1HA GLY 4 -8.665 -5.764 -5.478 22 H VAL 5 H VAL 5 -9.775 -2.920 -5.546 23 HA VAL 5 HA VAL 5 -7.220 -1.624 -6.174 24 HB VAL 5 HB VAL 5 -8.618 0.301 -7.221 25 1HG1 VAL 5 1HG1 VAL 5 -8.154 -0.481 -9.453 26 2HG1 VAL 5 2HG1 VAL 5 -6.852 -0.945 -8.341 27 3HG1 VAL 5 3HG1 VAL 5 -8.044 -2.160 -8.886 28 1HG2 VAL 5 1HG2 VAL 5 -10.410 -2.030 -8.074 29 2HG2 VAL 5 2HG2 VAL 5 -10.900 -0.740 -6.958 30 3HG2 VAL 5 3HG2 VAL 5 -10.496 -0.355 -8.633 31 H LEU 6 H LEU 6 -6.752 -0.771 -4.190 32 HA LEU 6 HA LEU 6 -8.589 1.355 -3.426 33 1HB LEU 6 2HB LEU 6 -7.644 -0.727 -1.425 34 2HB LEU 6 3HB LEU 6 -8.050 0.925 -0.970 35 HG LEU 6 HG LEU 6 -10.307 0.316 -2.360 36 1HD1 LEU 6 1HD1 LEU 6 -11.065 -1.923 -1.848 37 2HD1 LEU 6 2HD1 LEU 6 -9.521 -2.093 -2.695 38 3HD1 LEU 6 3HD1 LEU 6 -9.589 -2.286 -0.941 39 1HD2 LEU 6 1HD2 LEU 6 -10.252 1.296 -0.148 40 2HD2 LEU 6 2HD2 LEU 6 -11.377 -0.073 -0.183 41 3HD2 LEU 6 3HD2 LEU 6 -9.780 -0.256 0.570 42 H GLU 7 H GLU 7 -7.470 3.000 -2.175 43 HA GLU 7 HA GLU 7 -4.592 3.106 -2.799 44 1HB GLU 7 2HB GLU 7 -6.076 3.958 -4.716 45 2HB GLU 7 3HB GLU 7 -6.578 5.277 -3.635 46 1HG GLU 7 2HG GLU 7 -4.234 5.977 -3.412 47 2HG GLU 7 3HG GLU 7 -3.711 4.551 -4.319 48 H LEU 8 H LEU 8 -3.437 4.205 -1.296 49 HA LEU 8 HA LEU 8 -4.845 5.630 0.903 50 1HB LEU 8 2HB LEU 8 -3.440 4.193 2.501 51 2HB LEU 8 3HB LEU 8 -4.879 3.456 1.838 52 HG LEU 8 HG LEU 8 -2.331 2.995 0.310 53 1HD1 LEU 8 1HD1 LEU 8 -1.696 1.158 1.793 54 2HD1 LEU 8 2HD1 LEU 8 -1.631 2.711 2.635 55 3HD1 LEU 8 3HD1 LEU 8 -2.992 1.598 2.926 56 1HD2 LEU 8 1HD2 LEU 8 -3.327 0.763 0.001 57 2HD2 LEU 8 2HD2 LEU 8 -4.644 1.158 1.120 58 3HD2 LEU 8 3HD2 LEU 8 -4.522 1.974 -0.446 59 H VAL 9 H VAL 9 -3.577 7.171 1.912 60 HA VAL 9 HA VAL 9 -1.150 7.964 0.438 61 HB VAL 9 HB VAL 9 -2.682 9.465 2.553 62 1HG1 VAL 9 1HG1 VAL 9 -0.249 10.115 2.365 63 2HG1 VAL 9 2HG1 VAL 9 -0.497 10.375 0.622 64 3HG1 VAL 9 3HG1 VAL 9 -1.348 11.384 1.803 65 1HG2 VAL 9 1HG2 VAL 9 -3.952 9.130 0.442 66 2HG2 VAL 9 2HG2 VAL 9 -3.459 10.819 0.641 67 3HG2 VAL 9 3HG2 VAL 9 -2.584 9.762 -0.487 68 H VAL 10 H VAL 10 0.598 6.811 1.083 69 HA VAL 10 HA VAL 10 0.929 5.870 3.846 70 HB VAL 10 HB VAL 10 2.784 4.619 2.887 71 1HG1 VAL 10 1HG1 VAL 10 0.529 3.650 3.079 72 2HG1 VAL 10 2HG1 VAL 10 0.130 4.213 1.446 73 3HG1 VAL 10 3HG1 VAL 10 1.394 2.990 1.681 74 1HG2 VAL 10 1HG2 VAL 10 3.435 5.906 0.919 75 2HG2 VAL 10 2HG2 VAL 10 3.004 4.274 0.468 76 3HG2 VAL 10 3HG2 VAL 10 1.869 5.596 0.149 77 H ARG 11 H ARG 11 1.140 8.060 4.717 78 HA ARG 11 HA ARG 11 3.313 9.690 3.586 79 1HB ARG 11 2HB ARG 11 2.830 11.345 5.201 80 2HB ARG 11 3HB ARG 11 1.311 10.778 4.490 81 1HG ARG 11 2HG ARG 11 0.877 9.405 6.494 82 2HG ARG 11 3HG ARG 11 2.442 9.913 7.184 83 1HD ARG 11 2HD ARG 11 1.594 12.307 7.063 84 2HD ARG 11 3HD ARG 11 -0.010 11.613 6.695 85 HE ARG 11 HE ARG 11 1.428 10.537 9.057 86 1HH1 ARG 11 2HH2 ARG 11 -0.685 13.158 8.089 87 2HH1 ARG 11 1HH2 ARG 11 -1.485 13.293 9.630 88 1HH2 ARG 11 2HH1 ARG 11 0.283 10.510 11.008 89 2HH2 ARG 11 1HH1 ARG 11 -0.838 11.784 11.392 90 H GLY 12 H GLY 12 5.360 9.997 4.405 91 1HA GLY 12 2HA GLY 12 6.823 9.680 6.452 92 2HA GLY 12 1HA GLY 12 6.302 7.992 6.429 93 H MET 13 H MET 13 6.252 7.600 3.537 94 HA MET 13 HA MET 13 9.045 7.007 3.213 95 1HB MET 13 2HB MET 13 8.455 6.218 1.009 96 2HB MET 13 3HB MET 13 7.334 5.581 2.221 97 1HG MET 13 2HG MET 13 5.634 7.182 1.438 98 2HG MET 13 3HG MET 13 6.808 7.923 0.344 99 1HE MET 13 1HE MET 13 4.484 6.303 -2.220 100 2HE MET 13 2HE MET 13 4.114 7.161 -0.706 101 3HE MET 13 3HE MET 13 5.434 7.723 -1.742 102 H THR 14 H THR 14 10.526 7.873 1.700 103 HA THR 14 HA THR 14 9.992 10.684 0.853 104 HB THR 14 HB THR 14 10.773 10.675 3.158 105 HG1 THR 14 1HG THR 14 12.424 12.166 2.802 106 1HG2 THR 14 1HG2 THR 14 12.209 8.625 3.125 107 2HG2 THR 14 2HG2 THR 14 13.386 9.498 2.115 108 3HG2 THR 14 3HG2 THR 14 13.044 10.046 3.763 109 H CYS 15 H CYS 15 12.139 7.802 0.487 110 HA CYS 15 HA CYS 15 12.940 8.897 -2.161 111 1HB CYS 15 2HB CYS 15 15.247 8.058 -1.668 112 2HB CYS 15 3HB CYS 15 14.746 9.457 -0.727 113 H ALA 16 H ALA 16 14.006 7.213 -3.471 114 HA ALA 16 HA ALA 16 12.300 5.180 -4.155 115 1HB ALA 16 1HB ALA 16 14.176 4.234 -5.440 116 2HB ALA 16 2HB ALA 16 14.115 6.002 -5.581 117 3HB ALA 16 3HB ALA 16 15.321 5.235 -4.522 118 H SER 17 H SER 17 15.015 5.011 -1.851 119 HA SER 17 HA SER 17 15.222 2.356 -1.237 120 1HB SER 17 2HB SER 17 15.204 4.665 0.730 121 2HB SER 17 3HB SER 17 16.074 3.126 0.877 122 HG SER 17 HG SER 17 17.236 3.725 -1.032 123 H CYS 18 H CYS 18 12.692 4.653 -0.132 124 HA CYS 18 HA CYS 18 11.367 2.727 1.607 125 1HB CYS 18 2HB CYS 18 10.396 5.353 0.461 126 2HB CYS 18 3HB CYS 18 9.696 4.445 1.812 127 H VAL 19 H VAL 19 10.813 4.179 -1.628 128 HA VAL 19 HA VAL 19 8.274 3.263 -2.197 129 HB VAL 19 HB VAL 19 10.662 3.592 -4.080 130 1HG1 VAL 19 1HG1 VAL 19 7.738 3.582 -4.856 131 2HG1 VAL 19 2HG1 VAL 19 9.117 3.911 -5.903 132 3HG1 VAL 19 3HG1 VAL 19 8.902 2.297 -5.228 133 1HG2 VAL 19 1HG2 VAL 19 9.699 5.812 -4.522 134 2HG2 VAL 19 2HG2 VAL 19 8.456 5.516 -3.280 135 3HG2 VAL 19 3HG2 VAL 19 10.173 5.618 -2.832 136 H HIS 20 H HIS 20 11.368 1.732 -3.180 137 HA HIS 20 HA HIS 20 10.029 -0.575 -4.166 138 1HB HIS 20 2HB HIS 20 12.221 -1.422 -4.589 139 2HB HIS 20 3HB HIS 20 12.013 0.259 -5.095 140 HD1 HIS 20 1HD HIS 20 14.532 0.796 -5.197 141 HD2 HIS 20 2HD HIS 20 13.232 -0.737 -1.506 142 HE1 HIS 20 1HE HIS 20 16.537 0.872 -3.620 143 H LYS 21 H LYS 21 10.949 0.317 -0.937 144 HA LYS 21 HA LYS 21 11.137 -2.369 0.130 145 1HB LYS 21 2HB LYS 21 11.444 0.326 1.113 146 2HB LYS 21 3HB LYS 21 10.221 -0.436 2.103 147 1HG LYS 21 2HG LYS 21 12.963 -1.629 1.514 148 2HG LYS 21 3HG LYS 21 12.589 -0.571 2.883 149 1HD LYS 21 2HD LYS 21 10.816 -2.202 3.641 150 2HD LYS 21 3HD LYS 21 11.248 -3.265 2.304 151 1HE LYS 21 2HE LYS 21 12.294 -4.077 4.337 152 2HE LYS 21 3HE LYS 21 13.540 -3.533 3.206 153 1HZ LYS 21 1HZ LYS 21 13.945 -2.800 5.463 154 2HZ LYS 21 2HZ LYS 21 13.730 -1.508 4.476 155 3HZ LYS 21 3HZ LYS 21 12.527 -1.970 5.501 156 H ILE 22 H ILE 22 8.612 0.212 -0.004 157 HA ILE 22 HA ILE 22 6.583 -1.433 1.159 158 HB ILE 22 HB ILE 22 6.036 0.786 -0.844 159 1HG1 ILE 22 2HG1 ILE 22 6.669 0.891 2.122 160 2HG1 ILE 22 3HG1 ILE 22 7.452 1.758 0.786 161 1HG2 ILE 22 1HG2 ILE 22 4.127 -0.723 -0.252 162 2HG2 ILE 22 2HG2 ILE 22 4.421 -0.393 1.468 163 3HG2 ILE 22 3HG2 ILE 22 3.872 0.894 0.386 164 1HD1 ILE 22 1HD1 ILE 22 4.710 2.326 1.932 165 2HD1 ILE 22 2HD1 ILE 22 6.143 3.360 1.921 166 3HD1 ILE 22 3HD1 ILE 22 5.310 3.007 0.396 167 H GLU 23 H GLU 23 7.287 -0.714 -2.328 168 HA GLU 23 HA GLU 23 5.280 -2.387 -3.353 169 1HB GLU 23 2HB GLU 23 7.962 -1.609 -4.564 170 2HB GLU 23 3HB GLU 23 6.628 -2.357 -5.458 171 1HG GLU 23 2HG GLU 23 5.138 -0.504 -4.861 172 2HG GLU 23 3HG GLU 23 6.412 0.282 -3.936 173 H SER 24 H SER 24 8.759 -3.261 -2.914 174 HA SER 24 HA SER 24 8.476 -5.947 -3.722 175 1HB SER 24 2HB SER 24 10.644 -4.747 -3.445 176 2HB SER 24 3HB SER 24 10.439 -4.812 -1.682 177 HG SER 24 HG SER 24 10.607 -7.043 -3.440 178 H SER 25 H SER 25 8.222 -4.497 -0.410 179 HA SER 25 HA SER 25 7.887 -6.988 0.924 180 1HB SER 25 2HB SER 25 8.484 -4.857 2.019 181 2HB SER 25 3HB SER 25 6.858 -4.231 1.704 182 HG SER 25 HG SER 25 7.023 -5.069 3.776 183 H LEU 26 H LEU 26 5.393 -4.595 -0.159 184 HA LEU 26 HA LEU 26 3.162 -6.083 0.689 185 1HB LEU 26 2HB LEU 26 3.612 -3.899 -1.336 186 2HB LEU 26 3HB LEU 26 2.083 -4.753 -1.365 187 HG LEU 26 HG LEU 26 2.120 -2.656 -0.028 188 1HD1 LEU 26 1HD1 LEU 26 0.357 -4.377 0.191 189 2HD1 LEU 26 2HD1 LEU 26 1.275 -5.171 1.485 190 3HD1 LEU 26 3HD1 LEU 26 0.655 -3.531 1.723 191 1HD2 LEU 26 1HD2 LEU 26 3.604 -4.292 2.083 192 2HD2 LEU 26 2HD2 LEU 26 4.258 -2.897 1.207 193 3HD2 LEU 26 3HD2 LEU 26 2.888 -2.691 2.296 194 H THR 27 H THR 27 4.926 -6.244 -2.409 195 HA THR 27 HA THR 27 3.240 -7.959 -3.792 196 HB THR 27 HB THR 27 6.266 -8.049 -3.834 197 HG1 THR 27 1HG THR 27 5.431 -5.987 -4.281 198 1HG2 THR 27 1HG2 THR 27 5.892 -8.755 -6.206 199 2HG2 THR 27 2HG2 THR 27 5.335 -9.979 -5.055 200 3HG2 THR 27 3HG2 THR 27 4.158 -8.917 -5.865 201 H LYS 28 H LYS 28 5.101 -8.919 -0.899 202 HA LYS 28 HA LYS 28 4.994 -11.737 -1.418 203 1HB LYS 28 2HB LYS 28 5.621 -12.049 0.833 204 2HB LYS 28 3HB LYS 28 6.391 -10.545 0.311 205 1HG LYS 28 2HG LYS 28 4.173 -9.472 1.288 206 2HG LYS 28 3HG LYS 28 4.045 -10.973 2.203 207 1HD LYS 28 2HD LYS 28 6.189 -10.541 3.292 208 2HD LYS 28 3HD LYS 28 6.528 -9.201 2.181 209 1HE LYS 28 2HE LYS 28 4.361 -8.084 3.059 210 2HE LYS 28 3HE LYS 28 4.376 -9.299 4.347 211 1HZ LYS 28 1HZ LYS 28 6.619 -8.412 4.889 212 2HZ LYS 28 2HZ LYS 28 6.405 -7.234 3.741 213 3HZ LYS 28 3HZ LYS 28 5.410 -7.304 5.042 214 H HIS 29 H HIS 29 2.481 -9.475 -0.467 215 HA HIS 29 HA HIS 29 0.742 -11.362 0.882 216 1HB HIS 29 2HB HIS 29 0.311 -8.627 -0.356 217 2HB HIS 29 3HB HIS 29 -0.987 -9.579 0.358 218 HD1 HIS 29 1HD HIS 29 -1.396 -9.112 2.820 219 HD2 HIS 29 2HD HIS 29 2.462 -8.117 1.520 220 HE1 HIS 29 1HE HIS 29 -0.278 -7.958 4.766 221 H ARG 30 H ARG 30 0.162 -13.135 -0.337 222 HA ARG 30 HA ARG 30 -0.115 -13.486 -3.031 223 1HB ARG 30 2HB ARG 30 -1.891 -14.587 -0.816 224 2HB ARG 30 3HB ARG 30 -1.903 -15.169 -2.488 225 1HG ARG 30 2HG ARG 30 0.454 -15.843 -2.334 226 2HG ARG 30 3HG ARG 30 0.582 -15.172 -0.704 227 1HD ARG 30 2HD ARG 30 0.297 -17.592 -0.600 228 2HD ARG 30 3HD ARG 30 -1.083 -16.745 0.138 229 HE ARG 30 HE ARG 30 -1.563 -17.315 -2.650 230 1HH1 ARG 30 2HH2 ARG 30 -1.446 -18.901 0.489 231 2HH1 ARG 30 1HH2 ARG 30 -2.642 -20.105 0.121 232 1HH2 ARG 30 2HH1 ARG 30 -3.175 -18.888 -3.189 233 2HH2 ARG 30 1HH1 ARG 30 -3.631 -20.103 -2.043 234 H GLY 31 H GLY 31 -2.519 -11.858 -0.969 235 1HA GLY 31 2HA GLY 31 -4.592 -11.795 -2.999 236 2HA GLY 31 1HA GLY 31 -4.575 -10.945 -1.457 237 H ILE 32 H ILE 32 -1.705 -9.831 -2.580 238 HA ILE 32 HA ILE 32 -2.876 -7.504 -3.862 239 HB ILE 32 HB ILE 32 -0.872 -7.865 -2.054 240 1HG1 ILE 32 2HG1 ILE 32 -2.179 -5.890 -2.570 241 2HG1 ILE 32 3HG1 ILE 32 -0.483 -5.589 -2.182 242 1HG2 ILE 32 1HG2 ILE 32 0.832 -8.752 -3.531 243 2HG2 ILE 32 2HG2 ILE 32 0.599 -7.436 -4.694 244 3HG2 ILE 32 3HG2 ILE 32 1.225 -7.086 -3.085 245 1HD1 ILE 32 1HD1 ILE 32 -1.629 -5.662 -4.996 246 2HD1 ILE 32 2HD1 ILE 32 -1.264 -4.190 -4.089 247 3HD1 ILE 32 3HD1 ILE 32 0.053 -5.271 -4.547 248 H LEU 33 H LEU 33 -3.186 -7.440 -6.013 249 HA LEU 33 HA LEU 33 -1.592 -9.289 -7.705 250 1HB LEU 33 2HB LEU 33 -3.102 -8.970 -9.424 251 2HB LEU 33 3HB LEU 33 -3.999 -9.252 -7.939 252 HG LEU 33 HG LEU 33 -3.871 -6.492 -8.008 253 1HD1 LEU 33 1HD1 LEU 33 -4.275 -7.467 -10.863 254 2HD1 LEU 33 2HD1 LEU 33 -4.543 -5.818 -10.272 255 3HD1 LEU 33 3HD1 LEU 33 -2.901 -6.495 -10.282 256 1HD2 LEU 33 1HD2 LEU 33 -6.249 -6.583 -8.674 257 2HD2 LEU 33 2HD2 LEU 33 -6.043 -8.283 -9.157 258 3HD2 LEU 33 3HD2 LEU 33 -5.848 -7.802 -7.457 259 H TYR 34 H TYR 34 -1.787 -5.748 -6.956 260 HA TYR 34 HA TYR 34 0.870 -5.581 -8.044 261 1HB TYR 34 2HB TYR 34 -0.440 -5.259 -10.144 262 2HB TYR 34 3HB TYR 34 -1.312 -3.936 -9.374 263 HD1 TYR 34 HD1 TYR 34 2.138 -5.072 -10.312 264 HD2 TYR 34 HD2 TYR 34 -0.451 -1.716 -9.512 265 HE1 TYR 34 HE1 TYR 34 3.899 -3.515 -11.110 266 HE2 TYR 34 HE2 TYR 34 1.279 -0.175 -10.371 267 HH TYR 34 HH TYR 34 3.456 0.026 -11.181 268 H CYS 35 H CYS 35 1.981 -4.103 -6.813 269 HA CYS 35 HA CYS 35 0.444 -1.983 -5.354 270 1HB CYS 35 2HB CYS 35 1.820 -3.355 -3.765 271 2HB CYS 35 3HB CYS 35 3.243 -3.059 -4.786 272 HG CYS 35 HG CYS 35 3.406 -1.561 -2.716 273 H SER 36 H SER 36 1.055 0.156 -5.957 274 HA SER 36 HA SER 36 3.812 0.299 -6.394 275 1HB SER 36 2HB SER 36 3.331 0.202 -8.762 276 2HB SER 36 3HB SER 36 2.226 1.596 -8.631 277 HG SER 36 HG SER 36 4.955 1.698 -7.800 278 H VAL 37 H VAL 37 4.707 2.294 -5.739 279 HA VAL 37 HA VAL 37 2.732 4.115 -4.487 280 HB VAL 37 HB VAL 37 3.900 4.137 -2.432 281 1HG1 VAL 37 1HG1 VAL 37 2.603 1.953 -2.946 282 2HG1 VAL 37 2HG1 VAL 37 4.198 1.225 -3.205 283 3HG1 VAL 37 3HG1 VAL 37 3.803 1.928 -1.635 284 1HG2 VAL 37 1HG2 VAL 37 6.240 4.164 -3.184 285 2HG2 VAL 37 2HG2 VAL 37 5.987 2.813 -2.061 286 3HG2 VAL 37 3HG2 VAL 37 6.059 2.491 -3.798 287 H ALA 38 H ALA 38 3.143 6.283 -4.502 288 HA ALA 38 HA ALA 38 5.551 7.184 -6.034 289 1HB ALA 38 1HB ALA 38 3.571 7.290 -7.449 290 2HB ALA 38 2HB ALA 38 2.742 8.300 -6.234 291 3HB ALA 38 3HB ALA 38 4.218 8.898 -7.038 292 H LEU 39 H LEU 39 6.665 8.725 -5.251 293 HA LEU 39 HA LEU 39 6.472 9.513 -2.495 294 1HB LEU 39 2HB LEU 39 8.276 10.447 -4.755 295 2HB LEU 39 3HB LEU 39 8.488 10.889 -3.058 296 HG LEU 39 HG LEU 39 8.570 8.023 -4.112 297 1HD1 LEU 39 1HD1 LEU 39 10.422 9.387 -4.962 298 2HD1 LEU 39 2HD1 LEU 39 10.779 9.956 -3.320 299 3HD1 LEU 39 3HD1 LEU 39 11.007 8.241 -3.742 300 1HD2 LEU 39 1HD2 LEU 39 7.945 7.948 -1.792 301 2HD2 LEU 39 2HD2 LEU 39 9.687 7.676 -1.814 302 3HD2 LEU 39 3HD2 LEU 39 9.054 9.270 -1.369 303 H ALA 40 H ALA 40 6.118 11.376 -5.529 304 HA ALA 40 HA ALA 40 5.902 13.917 -4.478 305 1HB ALA 40 1HB ALA 40 4.312 12.754 -6.810 306 2HB ALA 40 2HB ALA 40 4.586 14.480 -6.493 307 3HB ALA 40 3HB ALA 40 5.957 13.427 -6.890 308 H THR 41 H THR 41 3.204 11.547 -4.893 309 HA THR 41 HA THR 41 1.290 13.245 -3.562 310 HB THR 41 HB THR 41 1.113 10.284 -4.088 311 HG1 THR 41 1HG THR 41 0.461 10.890 -6.236 312 1HG2 THR 41 1HG2 THR 41 -0.816 11.482 -2.981 313 2HG2 THR 41 2HG2 THR 41 -0.918 12.555 -4.392 314 3HG2 THR 41 3HG2 THR 41 -1.261 10.822 -4.568 315 H ASN 42 H ASN 42 3.376 10.462 -2.792 316 HA ASN 42 HA ASN 42 4.064 9.503 -0.890 317 1HB ASN 42 2HB ASN 42 2.181 11.201 0.805 318 2HB ASN 42 3HB ASN 42 3.427 10.086 1.330 319 1HD2 ASN 42 1HD2 ASN 42 2.972 13.123 -0.482 320 2HD2 ASN 42 2HD2 ASN 42 4.569 13.770 -0.110 321 H LYS 43 H LYS 43 2.353 8.430 -2.663 322 HA LYS 43 HA LYS 43 0.048 7.338 -1.112 323 1HB LYS 43 2HB LYS 43 -0.768 9.088 -2.502 324 2HB LYS 43 3HB LYS 43 0.116 8.438 -3.899 325 1HG LYS 43 2HG LYS 43 -1.806 6.525 -2.689 326 2HG LYS 43 3HG LYS 43 -2.539 7.953 -3.369 327 1HD LYS 43 2HD LYS 43 -0.410 6.441 -4.969 328 2HD LYS 43 3HD LYS 43 -2.063 5.890 -4.919 329 1HE LYS 43 2HE LYS 43 -2.711 8.372 -5.542 330 2HE LYS 43 3HE LYS 43 -1.011 8.545 -5.978 331 1HZ LYS 43 1HZ LYS 43 -2.941 6.571 -7.044 332 2HZ LYS 43 2HZ LYS 43 -2.464 7.921 -7.824 333 3HZ LYS 43 3HZ LYS 43 -1.380 6.698 -7.550 334 H ALA 44 H ALA 44 -0.478 5.257 -1.336 335 HA ALA 44 HA ALA 44 1.045 3.548 -3.253 336 1HB ALA 44 1HB ALA 44 -0.148 2.838 -0.540 337 2HB ALA 44 2HB ALA 44 0.657 1.719 -1.654 338 3HB ALA 44 3HB ALA 44 1.582 3.023 -0.891 339 H HIS 45 H HIS 45 -0.178 2.676 -4.885 340 HA HIS 45 HA HIS 45 -3.095 2.435 -4.590 341 1HB HIS 45 2HB HIS 45 -2.148 3.688 -6.490 342 2HB HIS 45 3HB HIS 45 -1.009 2.384 -6.824 343 HD1 HIS 45 1HD HIS 45 -2.635 3.269 -9.105 344 HD2 HIS 45 2HD HIS 45 -3.657 0.142 -6.480 345 HE1 HIS 45 1HE HIS 45 -3.904 1.587 -10.448 346 H ILE 46 H ILE 46 -3.549 0.453 -3.720 347 HA ILE 46 HA ILE 46 -1.620 -1.796 -4.166 348 HB ILE 46 HB ILE 46 -3.186 -1.114 -1.656 349 1HG1 ILE 46 2HG1 ILE 46 -0.228 -1.224 -2.381 350 2HG1 ILE 46 3HG1 ILE 46 -1.154 0.244 -1.997 351 1HG2 ILE 46 1HG2 ILE 46 -1.160 -3.354 -1.969 352 2HG2 ILE 46 2HG2 ILE 46 -2.379 -3.124 -0.703 353 3HG2 ILE 46 3HG2 ILE 46 -2.872 -3.640 -2.319 354 1HD1 ILE 46 1HD1 ILE 46 -0.395 -1.978 -0.065 355 2HD1 ILE 46 2HD1 ILE 46 0.182 -0.305 -0.090 356 3HD1 ILE 46 3HD1 ILE 46 -1.512 -0.651 0.318 357 H LYS 47 H LYS 47 -2.554 -3.026 -5.686 358 HA LYS 47 HA LYS 47 -5.479 -3.083 -5.919 359 1HB LYS 47 2HB LYS 47 -3.251 -4.424 -7.496 360 2HB LYS 47 3HB LYS 47 -4.970 -4.431 -7.894 361 1HG LYS 47 2HG LYS 47 -4.755 -1.829 -7.860 362 2HG LYS 47 3HG LYS 47 -3.010 -2.075 -7.848 363 1HD LYS 47 2HD LYS 47 -3.445 -1.958 -10.154 364 2HD LYS 47 3HD LYS 47 -3.485 -3.711 -9.856 365 1HE LYS 47 2HE LYS 47 -6.066 -3.397 -9.520 366 2HE LYS 47 3HE LYS 47 -5.819 -1.784 -10.214 367 1HZ LYS 47 1HZ LYS 47 -6.514 -3.378 -11.829 368 2HZ LYS 47 2HZ LYS 47 -5.000 -2.843 -12.200 369 3HZ LYS 47 3HZ LYS 47 -5.220 -4.339 -11.540 370 H TYR 48 H TYR 48 -5.536 -3.898 -3.648 371 HA TYR 48 HA TYR 48 -4.808 -6.751 -3.449 372 1HB TYR 48 2HB TYR 48 -5.129 -6.623 -1.114 373 2HB TYR 48 3HB TYR 48 -4.107 -5.344 -1.625 374 HD1 TYR 48 HD1 TYR 48 -7.520 -6.192 -0.384 375 HD2 TYR 48 HD2 TYR 48 -4.801 -2.980 -1.322 376 HE1 TYR 48 HE1 TYR 48 -8.842 -4.663 1.010 377 HE2 TYR 48 HE2 TYR 48 -6.081 -1.469 0.135 378 HH TYR 48 HH TYR 48 -9.072 -2.513 1.782 379 H ASP 49 H ASP 49 -6.209 -8.322 -3.492 380 HA ASP 49 HA ASP 49 -8.905 -7.730 -4.435 381 1HB ASP 49 2HB ASP 49 -7.457 -10.338 -3.950 382 2HB ASP 49 3HB ASP 49 -9.128 -10.228 -4.521 383 HA PRO 50 HA PRO 50 -10.039 -7.370 -0.190 384 1HB PRO 50 2HB PRO 50 -12.516 -6.287 -0.394 385 2HB PRO 50 3HB PRO 50 -11.074 -5.470 -1.045 386 1HG PRO 50 2HG PRO 50 -12.982 -7.266 -2.594 387 2HG PRO 50 3HG PRO 50 -12.524 -5.581 -2.992 388 1HD PRO 50 2HD PRO 50 -11.217 -7.677 -4.101 389 2HD PRO 50 3HD PRO 50 -10.333 -6.215 -3.569 390 H GLU 51 H GLU 51 -9.983 -9.995 -0.688 391 HA GLU 51 HA GLU 51 -12.467 -11.053 0.603 392 1HB GLU 51 2HB GLU 51 -10.760 -12.524 -1.470 393 2HB GLU 51 3HB GLU 51 -12.174 -13.131 -0.601 394 1HG GLU 51 2HG GLU 51 -13.480 -11.203 -1.651 395 2HG GLU 51 3HG GLU 51 -12.068 -10.905 -2.676 396 H ILE 52 H ILE 52 -9.180 -12.292 -0.167 397 HA ILE 52 HA ILE 52 -9.044 -13.537 2.437 398 HB ILE 52 HB ILE 52 -6.979 -14.414 1.798 399 1HG1 ILE 52 2HG1 ILE 52 -6.190 -13.762 -0.711 400 2HG1 ILE 52 3HG1 ILE 52 -6.754 -12.187 -0.170 401 1HG2 ILE 52 1HG2 ILE 52 -9.040 -15.349 0.760 402 2HG2 ILE 52 2HG2 ILE 52 -8.718 -14.387 -0.700 403 3HG2 ILE 52 3HG2 ILE 52 -7.579 -15.646 -0.195 404 1HD1 ILE 52 1HD1 ILE 52 -5.238 -12.521 1.907 405 2HD1 ILE 52 2HD1 ILE 52 -4.676 -14.015 1.148 406 3HD1 ILE 52 3HD1 ILE 52 -4.368 -12.457 0.369 407 H ILE 53 H ILE 53 -7.823 -10.613 1.029 408 HA ILE 53 HA ILE 53 -6.384 -9.860 3.524 409 HB ILE 53 HB ILE 53 -4.925 -10.277 1.550 410 1HG1 ILE 53 2HG1 ILE 53 -3.830 -7.975 1.419 411 2HG1 ILE 53 3HG1 ILE 53 -5.079 -7.410 2.538 412 1HG2 ILE 53 1HG2 ILE 53 -6.441 -9.768 -0.280 413 2HG2 ILE 53 2HG2 ILE 53 -6.418 -8.050 0.164 414 3HG2 ILE 53 3HG2 ILE 53 -4.945 -8.846 -0.406 415 1HD1 ILE 53 1HD1 ILE 53 -3.199 -9.783 2.964 416 2HD1 ILE 53 2HD1 ILE 53 -3.000 -8.161 3.680 417 3HD1 ILE 53 3HD1 ILE 53 -4.368 -9.191 4.151 418 H GLY 54 H GLY 54 -6.993 -7.870 4.507 419 1HA GLY 54 2HA GLY 54 -9.144 -6.327 3.117 420 2HA GLY 54 1HA GLY 54 -9.012 -6.670 4.850 421 HA PRO 55 HA PRO 55 -6.991 -2.513 3.736 422 1HB PRO 55 2HB PRO 55 -8.574 -1.025 5.486 423 2HB PRO 55 3HB PRO 55 -8.910 -1.238 3.755 424 1HG PRO 55 2HG PRO 55 -10.084 -2.763 6.080 425 2HG PRO 55 3HG PRO 55 -10.929 -2.124 4.643 426 1HD PRO 55 2HD PRO 55 -10.234 -4.733 4.826 427 2HD PRO 55 3HD PRO 55 -10.075 -3.882 3.266 428 H ARG 56 H ARG 56 -8.242 -3.884 6.842 429 HA ARG 56 HA ARG 56 -6.389 -2.495 8.436 430 1HB ARG 56 2HB ARG 56 -8.344 -3.551 9.417 431 2HB ARG 56 3HB ARG 56 -7.688 -5.174 9.073 432 1HG ARG 56 2HG ARG 56 -5.804 -4.813 10.507 433 2HG ARG 56 3HG ARG 56 -6.129 -3.069 10.620 434 1HD ARG 56 2HD ARG 56 -8.181 -3.598 11.953 435 2HD ARG 56 3HD ARG 56 -7.695 -5.314 11.905 436 HE ARG 56 HE ARG 56 -5.638 -3.387 12.793 437 1HH1 ARG 56 2HH2 ARG 56 -8.241 -5.405 14.017 438 2HH1 ARG 56 1HH2 ARG 56 -7.455 -5.761 15.529 439 1HH2 ARG 56 2HH1 ARG 56 -4.509 -3.929 14.620 440 2HH2 ARG 56 1HH1 ARG 56 -5.274 -4.794 15.934 441 H ASP 57 H ASP 57 -6.048 -5.724 6.814 442 HA ASP 57 HA ASP 57 -3.619 -6.465 8.005 443 1HB ASP 57 2HB ASP 57 -4.456 -6.977 5.126 444 2HB ASP 57 3HB ASP 57 -3.399 -7.978 6.144 445 H ILE 58 H ILE 58 -4.252 -4.770 4.943 446 HA ILE 58 HA ILE 58 -1.594 -4.148 4.157 447 HB ILE 58 HB ILE 58 -4.274 -2.749 3.788 448 1HG1 ILE 58 2HG1 ILE 58 -4.221 -4.928 2.742 449 2HG1 ILE 58 3HG1 ILE 58 -4.221 -3.648 1.532 450 1HG2 ILE 58 1HG2 ILE 58 -3.209 -1.538 1.853 451 2HG2 ILE 58 2HG2 ILE 58 -2.734 -0.976 3.456 452 3HG2 ILE 58 3HG2 ILE 58 -1.626 -1.997 2.525 453 1HD1 ILE 58 1HD1 ILE 58 -1.695 -3.907 1.417 454 2HD1 ILE 58 2HD1 ILE 58 -1.880 -5.375 2.399 455 3HD1 ILE 58 3HD1 ILE 58 -2.652 -5.280 0.807 456 H ILE 59 H ILE 59 -3.884 -2.245 6.134 457 HA ILE 59 HA ILE 59 -2.151 -0.112 6.537 458 HB ILE 59 HB ILE 59 -4.547 -1.169 7.934 459 1HG1 ILE 59 2HG1 ILE 59 -4.078 1.553 6.687 460 2HG1 ILE 59 3HG1 ILE 59 -4.494 0.122 5.736 461 1HG2 ILE 59 1HG2 ILE 59 -4.595 0.818 9.459 462 2HG2 ILE 59 2HG2 ILE 59 -3.329 -0.334 9.857 463 3HG2 ILE 59 3HG2 ILE 59 -2.917 1.167 9.010 464 1HD1 ILE 59 1HD1 ILE 59 -6.505 1.287 6.192 465 2HD1 ILE 59 2HD1 ILE 59 -6.518 -0.203 7.161 466 3HD1 ILE 59 3HD1 ILE 59 -6.166 1.360 7.936 467 H HIS 60 H HIS 60 -2.570 -3.081 8.505 468 HA HIS 60 HA HIS 60 -0.768 -2.296 10.557 469 1HB HIS 60 2HB HIS 60 -2.220 -4.752 9.922 470 2HB HIS 60 3HB HIS 60 -0.629 -5.032 10.625 471 HD1 HIS 60 1HD HIS 60 -0.133 -3.241 12.876 472 HD2 HIS 60 2HD HIS 60 -4.036 -3.961 11.593 473 HE1 HIS 60 1HE HIS 60 -1.657 -2.644 14.838 474 H THR 61 H THR 61 -0.422 -3.998 7.500 475 HA THR 61 HA THR 61 2.300 -4.841 7.805 476 HB THR 61 HB THR 61 0.716 -4.061 5.331 477 HG1 THR 61 1HG THR 61 -0.164 -5.753 6.499 478 1HG2 THR 61 1HG2 THR 61 2.312 -5.461 4.082 479 2HG2 THR 61 2HG2 THR 61 3.171 -4.106 4.829 480 3HG2 THR 61 3HG2 THR 61 3.261 -5.729 5.558 481 H ILE 62 H ILE 62 0.897 -1.776 6.499 482 HA ILE 62 HA ILE 62 3.534 -0.774 5.847 483 HB ILE 62 HB ILE 62 0.805 0.477 5.740 484 1HG1 ILE 62 2HG1 ILE 62 2.608 -0.470 3.474 485 2HG1 ILE 62 3HG1 ILE 62 1.427 -1.541 4.227 486 1HG2 ILE 62 1HG2 ILE 62 2.520 2.243 5.941 487 2HG2 ILE 62 2HG2 ILE 62 3.478 1.477 4.657 488 3HG2 ILE 62 3HG2 ILE 62 1.906 2.208 4.296 489 1HD1 ILE 62 1HD1 ILE 62 -0.394 0.044 3.685 490 2HD1 ILE 62 2HD1 ILE 62 0.768 1.027 2.765 491 3HD1 ILE 62 3HD1 ILE 62 0.437 -0.640 2.274 492 H GLU 63 H GLU 63 1.237 -0.138 8.555 493 HA GLU 63 HA GLU 63 2.896 1.855 9.791 494 1HB GLU 63 2HB GLU 63 1.649 1.500 11.782 495 2HB GLU 63 3HB GLU 63 0.570 1.548 10.382 496 1HG GLU 63 2HG GLU 63 -0.365 -0.153 11.566 497 2HG GLU 63 3HG GLU 63 0.746 -0.965 10.449 498 H SER 64 H SER 64 2.731 -1.688 10.301 499 HA SER 64 HA SER 64 4.938 -1.883 12.017 500 1HB SER 64 2HB SER 64 3.929 -3.846 9.929 501 2HB SER 64 3HB SER 64 5.181 -4.213 11.123 502 HG SER 64 HG SER 64 2.594 -3.251 11.886 503 H LEU 65 H LEU 65 5.015 -1.751 8.390 504 HA LEU 65 HA LEU 65 7.885 -1.965 8.250 505 1HB LEU 65 2HB LEU 65 5.888 -0.626 6.389 506 2HB LEU 65 3HB LEU 65 7.610 -0.731 6.035 507 HG LEU 65 HG LEU 65 5.878 -3.164 6.534 508 1HD1 LEU 65 1HD1 LEU 65 6.764 -1.967 3.871 509 2HD1 LEU 65 2HD1 LEU 65 5.807 -3.449 4.098 510 3HD1 LEU 65 3HD1 LEU 65 5.118 -1.884 4.528 511 1HD2 LEU 65 1HD2 LEU 65 8.303 -3.575 6.887 512 2HD2 LEU 65 2HD2 LEU 65 7.738 -4.383 5.439 513 3HD2 LEU 65 3HD2 LEU 65 8.653 -2.868 5.295 514 H GLY 66 H GLY 66 5.745 0.807 8.778 515 1HA GLY 66 2HA GLY 66 6.570 2.417 10.384 516 2HA GLY 66 1HA GLY 66 8.153 2.401 9.615 517 H PHE 67 H PHE 67 4.967 2.537 7.937 518 HA PHE 67 HA PHE 67 5.334 5.473 7.522 519 1HB PHE 67 2HB PHE 67 4.289 3.654 5.345 520 2HB PHE 67 3HB PHE 67 4.744 5.343 5.230 521 HD1 PHE 67 1HD PHE 67 5.844 1.922 4.807 522 HD2 PHE 67 2HD PHE 67 7.316 5.853 5.744 523 HE1 PHE 67 1HE PHE 67 8.107 1.264 4.039 524 HE2 PHE 67 2HE PHE 67 9.560 5.218 4.899 525 HZ PHE 67 HZ PHE 67 9.952 2.932 4.021 526 H GLU 68 H GLU 68 3.155 6.543 7.216 527 HA GLU 68 HA GLU 68 1.104 5.085 8.780 528 1HB GLU 68 2HB GLU 68 1.550 7.957 8.020 529 2HB GLU 68 3HB GLU 68 0.120 7.371 8.868 530 1HG GLU 68 2HG GLU 68 1.534 6.612 10.750 531 2HG GLU 68 3HG GLU 68 2.990 7.149 9.880 532 HA PRO 69 HA PRO 69 -0.870 4.803 4.601 533 1HB PRO 69 2HB PRO 69 -2.331 2.562 4.975 534 2HB PRO 69 3HB PRO 69 -0.553 2.502 4.791 535 1HG PRO 69 2HG PRO 69 -2.148 2.422 7.341 536 2HG PRO 69 3HG PRO 69 -0.775 1.387 6.850 537 1HD PRO 69 2HD PRO 69 -0.505 3.562 8.489 538 2HD PRO 69 3HD PRO 69 0.757 2.978 7.364 539 H SER 70 H SER 70 -1.996 6.787 4.960 540 HA SER 70 HA SER 70 -4.478 6.779 6.526 541 1HB SER 70 2HB SER 70 -3.070 8.775 6.316 542 2HB SER 70 3HB SER 70 -3.405 8.818 4.570 543 HG SER 70 HG SER 70 -4.836 10.167 5.794 544 H LEU 71 H LEU 71 -6.141 5.676 5.777 545 HA LEU 71 HA LEU 71 -6.506 4.889 3.011 546 1HB LEU 71 2HB LEU 71 -8.505 3.764 3.837 547 2HB LEU 71 3HB LEU 71 -7.075 3.353 4.771 548 HG LEU 71 HG LEU 71 -8.548 5.651 5.939 549 1HD1 LEU 71 1HD1 LEU 71 -10.498 4.467 5.005 550 2HD1 LEU 71 2HD1 LEU 71 -9.955 2.953 5.760 551 3HD1 LEU 71 3HD1 LEU 71 -10.452 4.328 6.770 552 1HD2 LEU 71 1HD2 LEU 71 -8.261 4.435 7.993 553 2HD2 LEU 71 2HD2 LEU 71 -7.892 2.936 7.130 554 3HD2 LEU 71 3HD2 LEU 71 -6.741 4.286 7.093 555 H VAL 72 H VAL 72 -6.432 7.441 2.538 556 HA VAL 72 HA VAL 72 -8.607 9.043 3.119 557 HB VAL 72 HB VAL 72 -7.906 10.447 1.292 558 1HG1 VAL 72 1HG1 VAL 72 -5.465 9.311 2.695 559 2HG1 VAL 72 2HG1 VAL 72 -5.673 10.938 2.032 560 3HG1 VAL 72 3HG1 VAL 72 -6.638 10.426 3.425 561 1HG2 VAL 72 1HG2 VAL 72 -6.066 8.182 0.416 562 2HG2 VAL 72 2HG2 VAL 72 -7.419 8.858 -0.508 563 3HG2 VAL 72 3HG2 VAL 72 -6.016 9.858 -0.185 564 H LYS 73 H LYS 73 -8.258 6.845 0.329 565 HA LYS 73 HA LYS 73 -9.734 6.209 -1.299 566 1HB LYS 73 2HB LYS 73 -10.259 4.830 0.582 567 2HB LYS 73 3HB LYS 73 -11.324 6.033 1.282 568 1HG LYS 73 2HG LYS 73 -12.161 5.297 -1.455 569 2HG LYS 73 3HG LYS 73 -11.985 3.873 -0.449 570 1HD LYS 73 2HD LYS 73 -13.682 4.402 0.978 571 2HD LYS 73 3HD LYS 73 -13.448 6.146 0.868 572 1HE LYS 73 2HE LYS 73 -14.527 4.587 -1.507 573 2HE LYS 73 3HE LYS 73 -15.596 5.140 -0.211 574 1HZ LYS 73 1HZ LYS 73 -13.790 7.009 -1.579 575 2HZ LYS 73 2HZ LYS 73 -15.310 6.667 -2.144 576 3HZ LYS 73 3HZ LYS 73 -15.099 7.351 -0.674 577 H ILE 74 H ILE 74 -9.469 8.859 -1.619 578 HA ILE 74 HA ILE 74 -11.926 10.313 -1.510 579 HB ILE 74 HB ILE 74 -10.912 11.965 -2.840 580 1HG1 ILE 74 2HG1 ILE 74 -9.917 10.779 -4.668 581 2HG1 ILE 74 3HG1 ILE 74 -8.748 11.847 -3.907 582 1HG2 ILE 74 1HG2 ILE 74 -10.198 11.814 -0.512 583 2HG2 ILE 74 2HG2 ILE 74 -8.794 10.840 -0.977 584 3HG2 ILE 74 3HG2 ILE 74 -8.939 12.511 -1.547 585 1HD1 ILE 74 1HD1 ILE 74 -8.846 8.812 -3.651 586 2HD1 ILE 74 2HD1 ILE 74 -7.665 9.788 -4.523 587 3HD1 ILE 74 3HD1 ILE 74 -7.716 9.866 -2.758 588 H GLU 75 H GLU 75 -13.205 11.086 -3.363 589 HA GLU 75 HA GLU 75 -13.132 9.761 -5.880 590 1HB GLU 75 2HB GLU 75 -15.585 9.615 -4.047 591 2HB GLU 75 3HB GLU 75 -15.639 9.419 -5.801 592 1HG GLU 75 2HG GLU 75 -14.208 7.438 -5.689 593 2HG GLU 75 3HG GLU 75 -14.056 7.604 -3.936 Start of MODEL 17 1 1H MET 1 H1 MET 1 -13.557 -6.304 -9.050 2 2H MET 1 H2 MET 1 -14.929 -5.749 -9.834 3 3H MET 1 H3 MET 1 -14.894 -5.983 -8.185 4 HA MET 1 HA MET 1 -16.070 -7.786 -9.000 5 1HB MET 1 2HB MET 1 -15.291 -7.605 -11.335 6 2HB MET 1 3HB MET 1 -13.695 -8.195 -10.890 7 1HG MET 1 2HG MET 1 -14.805 -10.361 -10.136 8 2HG MET 1 3HG MET 1 -16.348 -9.698 -10.689 9 1HE MET 1 1HE MET 1 -15.518 -12.524 -13.275 10 2HE MET 1 2HE MET 1 -15.128 -12.526 -11.540 11 3HE MET 1 3HE MET 1 -16.705 -11.912 -12.099 12 H GLY 2 H GLY 2 -12.962 -9.306 -9.436 13 1HA GLY 2 2HA GLY 2 -12.207 -9.222 -6.586 14 2HA GLY 2 1HA GLY 2 -11.225 -9.767 -7.959 15 H ASP 3 H ASP 3 -9.659 -8.207 -6.895 16 HA ASP 3 HA ASP 3 -8.355 -6.426 -7.107 17 1HB ASP 3 2HB ASP 3 -9.186 -6.363 -9.516 18 2HB ASP 3 3HB ASP 3 -10.307 -5.089 -9.013 19 H GLY 4 H GLY 4 -8.307 -4.024 -6.618 20 1HA GLY 4 2HA GLY 4 -10.450 -2.814 -5.064 21 2HA GLY 4 1HA GLY 4 -9.319 -3.704 -4.024 22 H VAL 5 H VAL 5 -9.451 -1.247 -6.606 23 HA VAL 5 HA VAL 5 -6.676 -0.547 -6.321 24 HB VAL 5 HB VAL 5 -7.161 1.070 -8.093 25 1HG1 VAL 5 1HG1 VAL 5 -6.823 -1.414 -8.469 26 2HG1 VAL 5 2HG1 VAL 5 -8.574 -1.571 -8.657 27 3HG1 VAL 5 3HG1 VAL 5 -7.656 -0.556 -9.785 28 1HG2 VAL 5 1HG2 VAL 5 -9.488 1.816 -7.525 29 2HG2 VAL 5 2HG2 VAL 5 -9.374 1.183 -9.165 30 3HG2 VAL 5 3HG2 VAL 5 -10.093 0.193 -7.890 31 H LEU 6 H LEU 6 -7.155 -0.166 -3.851 32 HA LEU 6 HA LEU 6 -8.078 2.591 -3.319 33 1HB LEU 6 2HB LEU 6 -7.100 0.395 -1.480 34 2HB LEU 6 3HB LEU 6 -7.309 2.068 -0.972 35 HG LEU 6 HG LEU 6 -9.708 1.972 -1.827 36 1HD1 LEU 6 1HD1 LEU 6 -9.113 -1.020 -1.812 37 2HD1 LEU 6 2HD1 LEU 6 -10.739 -0.314 -1.807 38 3HD1 LEU 6 3HD1 LEU 6 -9.674 -0.046 -3.187 39 1HD2 LEU 6 1HD2 LEU 6 -9.141 2.011 0.535 40 2HD2 LEU 6 2HD2 LEU 6 -10.502 0.915 0.253 41 3HD2 LEU 6 3HD2 LEU 6 -8.880 0.260 0.544 42 H GLU 7 H GLU 7 -6.860 4.314 -3.247 43 HA GLU 7 HA GLU 7 -3.913 4.162 -3.224 44 1HB GLU 7 2HB GLU 7 -5.666 6.623 -3.507 45 2HB GLU 7 3HB GLU 7 -3.936 6.454 -3.788 46 1HG GLU 7 2HG GLU 7 -4.504 4.788 -5.642 47 2HG GLU 7 3HG GLU 7 -6.203 5.267 -5.454 48 H LEU 8 H LEU 8 -3.210 3.872 -1.172 49 HA LEU 8 HA LEU 8 -4.483 5.424 1.036 50 1HB LEU 8 2HB LEU 8 -2.881 4.064 2.483 51 2HB LEU 8 3HB LEU 8 -4.354 3.297 1.917 52 HG LEU 8 HG LEU 8 -1.867 2.977 0.274 53 1HD1 LEU 8 1HD1 LEU 8 -2.471 1.316 2.747 54 2HD1 LEU 8 2HD1 LEU 8 -1.173 1.024 1.571 55 3HD1 LEU 8 3HD1 LEU 8 -1.135 2.481 2.572 56 1HD2 LEU 8 1HD2 LEU 8 -4.209 1.119 0.987 57 2HD2 LEU 8 2HD2 LEU 8 -4.035 1.974 -0.553 58 3HD2 LEU 8 3HD2 LEU 8 -2.886 0.711 -0.109 59 H VAL 9 H VAL 9 -3.489 7.195 1.721 60 HA VAL 9 HA VAL 9 -1.018 8.085 0.419 61 HB VAL 9 HB VAL 9 -2.761 9.490 2.455 62 1HG1 VAL 9 1HG1 VAL 9 -0.419 10.483 0.774 63 2HG1 VAL 9 2HG1 VAL 9 -1.473 11.493 1.783 64 3HG1 VAL 9 3HG1 VAL 9 -0.421 10.289 2.539 65 1HG2 VAL 9 1HG2 VAL 9 -2.486 9.806 -0.566 66 2HG2 VAL 9 2HG2 VAL 9 -3.898 9.142 0.281 67 3HG2 VAL 9 3HG2 VAL 9 -3.454 10.841 0.501 68 H VAL 10 H VAL 10 0.710 7.081 1.112 69 HA VAL 10 HA VAL 10 0.906 5.875 3.796 70 HB VAL 10 HB VAL 10 3.013 4.927 2.729 71 1HG1 VAL 10 1HG1 VAL 10 0.336 4.225 1.457 72 2HG1 VAL 10 2HG1 VAL 10 1.754 3.162 1.604 73 3HG1 VAL 10 3HG1 VAL 10 0.881 3.690 3.052 74 1HG2 VAL 10 1HG2 VAL 10 3.198 4.860 0.349 75 2HG2 VAL 10 2HG2 VAL 10 1.676 5.711 0.100 76 3HG2 VAL 10 3HG2 VAL 10 3.067 6.579 0.772 77 H ARG 11 H ARG 11 0.873 8.025 4.731 78 HA ARG 11 HA ARG 11 2.999 9.866 3.999 79 1HB ARG 11 2HB ARG 11 2.142 11.305 5.762 80 2HB ARG 11 3HB ARG 11 0.819 10.682 4.763 81 1HG ARG 11 2HG ARG 11 0.385 8.934 6.502 82 2HG ARG 11 3HG ARG 11 1.675 9.674 7.492 83 1HD ARG 11 2HD ARG 11 0.329 11.779 7.515 84 2HD ARG 11 3HD ARG 11 -0.995 10.913 6.727 85 HE ARG 11 HE ARG 11 0.295 10.253 9.384 86 1HH1 ARG 11 2HH2 ARG 11 -2.464 9.511 7.287 87 2HH1 ARG 11 1HH2 ARG 11 -3.564 9.264 8.601 88 1HH2 ARG 11 2HH1 ARG 11 -1.022 9.385 11.035 89 2HH2 ARG 11 1HH1 ARG 11 -2.711 9.122 10.783 90 H GLY 12 H GLY 12 4.927 10.205 4.985 91 1HA GLY 12 2HA GLY 12 6.516 9.782 6.830 92 2HA GLY 12 1HA GLY 12 5.859 8.146 6.961 93 H MET 13 H MET 13 5.552 7.623 4.053 94 HA MET 13 HA MET 13 8.295 6.750 3.727 95 1HB MET 13 2HB MET 13 7.478 5.281 2.158 96 2HB MET 13 3HB MET 13 6.095 5.504 3.216 97 1HG MET 13 2HG MET 13 5.134 5.650 1.180 98 2HG MET 13 3HG MET 13 5.418 7.359 1.491 99 1HE MET 13 1HE MET 13 5.701 8.521 -0.710 100 2HE MET 13 2HE MET 13 5.847 7.547 -2.201 101 3HE MET 13 3HE MET 13 4.605 7.146 -0.995 102 H THR 14 H THR 14 9.838 7.593 2.438 103 HA THR 14 HA THR 14 9.216 10.351 1.488 104 HB THR 14 HB THR 14 10.100 10.228 3.710 105 HG1 THR 14 1HG THR 14 11.779 11.683 3.369 106 1HG2 THR 14 1HG2 THR 14 12.416 9.555 4.177 107 2HG2 THR 14 2HG2 THR 14 11.455 8.174 3.655 108 3HG2 THR 14 3HG2 THR 14 12.602 8.939 2.530 109 H CYS 15 H CYS 15 11.437 7.574 0.763 110 HA CYS 15 HA CYS 15 12.252 9.061 -1.698 111 1HB CYS 15 2HB CYS 15 14.549 8.765 -1.200 112 2HB CYS 15 3HB CYS 15 13.819 9.437 0.251 113 H ALA 16 H ALA 16 13.754 7.636 -3.006 114 HA ALA 16 HA ALA 16 12.435 5.543 -4.184 115 1HB ALA 16 1HB ALA 16 14.380 6.679 -5.154 116 2HB ALA 16 2HB ALA 16 15.448 5.919 -3.951 117 3HB ALA 16 3HB ALA 16 14.612 4.920 -5.159 118 H SER 17 H SER 17 14.684 5.342 -1.411 119 HA SER 17 HA SER 17 14.851 2.517 -1.247 120 1HB SER 17 2HB SER 17 16.254 4.034 0.141 121 2HB SER 17 3HB SER 17 14.819 4.473 1.082 122 HG SER 17 HG SER 17 16.084 1.950 0.863 123 H CYS 18 H CYS 18 12.395 4.838 0.008 124 HA CYS 18 HA CYS 18 10.953 2.763 1.488 125 1HB CYS 18 2HB CYS 18 10.073 5.558 0.747 126 2HB CYS 18 3HB CYS 18 9.379 4.427 1.920 127 H VAL 19 H VAL 19 10.765 4.397 -1.686 128 HA VAL 19 HA VAL 19 8.279 3.392 -2.501 129 HB VAL 19 HB VAL 19 10.777 3.941 -4.158 130 1HG1 VAL 19 1HG1 VAL 19 9.357 4.116 -6.116 131 2HG1 VAL 19 2HG1 VAL 19 9.286 2.476 -5.468 132 3HG1 VAL 19 3HG1 VAL 19 7.945 3.601 -5.190 133 1HG2 VAL 19 1HG2 VAL 19 9.717 6.061 -4.664 134 2HG2 VAL 19 2HG2 VAL 19 8.306 5.628 -3.667 135 3HG2 VAL 19 3HG2 VAL 19 9.891 5.870 -2.917 136 H HIS 20 H HIS 20 11.547 2.005 -3.222 137 HA HIS 20 HA HIS 20 10.305 -0.297 -4.300 138 1HB HIS 20 2HB HIS 20 12.472 -1.099 -4.728 139 2HB HIS 20 3HB HIS 20 12.265 0.599 -5.161 140 HD1 HIS 20 1HD HIS 20 14.874 0.885 -5.324 141 HD2 HIS 20 2HD HIS 20 13.418 -0.287 -1.573 142 HE1 HIS 20 1HE HIS 20 16.846 0.985 -3.707 143 H LYS 21 H LYS 21 11.376 0.367 -0.978 144 HA LYS 21 HA LYS 21 11.180 -2.385 -0.119 145 1HB LYS 21 2HB LYS 21 10.922 0.240 1.390 146 2HB LYS 21 3HB LYS 21 10.691 -1.340 2.155 147 1HG LYS 21 2HG LYS 21 12.938 -2.068 1.334 148 2HG LYS 21 3HG LYS 21 13.229 -0.444 0.757 149 1HD LYS 21 2HD LYS 21 12.840 -1.427 3.622 150 2HD LYS 21 3HD LYS 21 14.315 -0.770 2.919 151 1HE LYS 21 2HE LYS 21 11.754 0.732 3.624 152 2HE LYS 21 3HE LYS 21 13.326 0.877 4.417 153 1HZ LYS 21 1HZ LYS 21 12.834 2.684 2.848 154 2HZ LYS 21 2HZ LYS 21 14.196 1.891 2.369 155 3HZ LYS 21 3HZ LYS 21 12.783 1.591 1.620 156 H ILE 22 H ILE 22 8.764 0.309 -0.288 157 HA ILE 22 HA ILE 22 6.630 -1.220 0.780 158 HB ILE 22 HB ILE 22 6.696 1.103 -1.172 159 1HG1 ILE 22 2HG1 ILE 22 5.671 0.913 1.673 160 2HG1 ILE 22 3HG1 ILE 22 7.338 1.354 1.258 161 1HG2 ILE 22 1HG2 ILE 22 4.211 1.315 -0.797 162 2HG2 ILE 22 2HG2 ILE 22 4.621 -0.123 -1.707 163 3HG2 ILE 22 3HG2 ILE 22 4.232 -0.257 0.021 164 1HD1 ILE 22 1HD1 ILE 22 6.104 3.352 1.711 165 2HD1 ILE 22 2HD1 ILE 22 6.510 3.308 -0.016 166 3HD1 ILE 22 3HD1 ILE 22 4.853 2.941 0.536 167 H GLU 23 H GLU 23 7.439 -0.557 -2.681 168 HA GLU 23 HA GLU 23 5.394 -2.185 -3.686 169 1HB GLU 23 2HB GLU 23 8.054 -1.412 -4.961 170 2HB GLU 23 3HB GLU 23 6.686 -2.134 -5.830 171 1HG GLU 23 2HG GLU 23 5.220 -0.279 -5.092 172 2HG GLU 23 3HG GLU 23 6.576 0.465 -4.246 173 H SER 24 H SER 24 8.851 -3.079 -3.200 174 HA SER 24 HA SER 24 8.565 -5.770 -4.048 175 1HB SER 24 2HB SER 24 10.734 -4.583 -3.732 176 2HB SER 24 3HB SER 24 10.493 -4.627 -1.976 177 HG SER 24 HG SER 24 10.683 -6.880 -3.705 178 H SER 25 H SER 25 8.387 -4.381 -0.676 179 HA SER 25 HA SER 25 8.109 -7.026 0.350 180 1HB SER 25 2HB SER 25 9.127 -5.009 1.520 181 2HB SER 25 3HB SER 25 7.468 -4.563 1.960 182 HG SER 25 HG SER 25 8.497 -5.934 3.520 183 H LEU 26 H LEU 26 5.707 -4.554 -0.534 184 HA LEU 26 HA LEU 26 3.477 -6.067 0.613 185 1HB LEU 26 2HB LEU 26 3.694 -3.760 -1.318 186 2HB LEU 26 3HB LEU 26 2.179 -4.614 -1.063 187 HG LEU 26 HG LEU 26 2.525 -2.501 0.260 188 1HD1 LEU 26 1HD1 LEU 26 1.753 -5.009 1.772 189 2HD1 LEU 26 2HD1 LEU 26 1.361 -3.350 2.245 190 3HD1 LEU 26 3HD1 LEU 26 0.707 -4.008 0.745 191 1HD2 LEU 26 1HD2 LEU 26 4.225 -4.296 2.060 192 2HD2 LEU 26 2HD2 LEU 26 4.823 -2.899 1.138 193 3HD2 LEU 26 3HD2 LEU 26 3.656 -2.673 2.440 194 H THR 27 H THR 27 4.873 -5.701 -2.714 195 HA THR 27 HA THR 27 3.045 -7.601 -3.855 196 HB THR 27 HB THR 27 5.639 -6.637 -5.086 197 HG1 THR 27 1HG THR 27 4.546 -4.834 -4.534 198 1HG2 THR 27 1HG2 THR 27 4.351 -6.911 -7.181 199 2HG2 THR 27 2HG2 THR 27 4.469 -8.455 -6.321 200 3HG2 THR 27 3HG2 THR 27 2.958 -7.520 -6.266 201 H LYS 28 H LYS 28 3.405 -9.144 -2.206 202 HA LYS 28 HA LYS 28 4.661 -11.485 -3.086 203 1HB LYS 28 2HB LYS 28 6.318 -11.905 -1.321 204 2HB LYS 28 3HB LYS 28 6.815 -10.621 -2.422 205 1HG LYS 28 2HG LYS 28 6.156 -8.925 -0.796 206 2HG LYS 28 3HG LYS 28 5.615 -10.184 0.340 207 1HD LYS 28 2HD LYS 28 8.208 -10.985 -0.255 208 2HD LYS 28 3HD LYS 28 8.377 -9.240 -0.320 209 1HE LYS 28 2HE LYS 28 7.283 -10.938 1.987 210 2HE LYS 28 3HE LYS 28 8.886 -10.199 1.945 211 1HZ LYS 28 1HZ LYS 28 7.114 -9.030 3.262 212 2HZ LYS 28 2HZ LYS 28 7.918 -8.051 2.235 213 3HZ LYS 28 3HZ LYS 28 6.433 -8.568 1.837 214 H HIS 29 H HIS 29 3.194 -9.620 -0.336 215 HA HIS 29 HA HIS 29 2.535 -12.012 1.091 216 1HB HIS 29 2HB HIS 29 1.265 -10.771 2.527 217 2HB HIS 29 3HB HIS 29 2.600 -9.712 2.080 218 HD1 HIS 29 1HD HIS 29 -1.119 -10.221 0.953 219 HD2 HIS 29 2HD HIS 29 1.716 -7.293 1.986 220 HE1 HIS 29 1HE HIS 29 -2.337 -8.001 0.968 221 H ARG 30 H ARG 30 0.772 -13.344 0.950 222 HA ARG 30 HA ARG 30 -0.621 -13.665 -1.466 223 1HB ARG 30 2HB ARG 30 -1.425 -14.433 1.377 224 2HB ARG 30 3HB ARG 30 -2.245 -15.018 -0.070 225 1HG ARG 30 2HG ARG 30 0.690 -15.545 0.606 226 2HG ARG 30 3HG ARG 30 -0.659 -16.650 0.867 227 1HD ARG 30 2HD ARG 30 -1.111 -16.429 -1.707 228 2HD ARG 30 3HD ARG 30 0.462 -15.644 -1.780 229 HE ARG 30 HE ARG 30 1.530 -17.625 -1.537 230 1HH1 ARG 30 2HH2 ARG 30 -1.816 -18.069 -0.540 231 2HH1 ARG 30 1HH2 ARG 30 -1.763 -19.804 -0.502 232 1HH2 ARG 30 2HH1 ARG 30 1.665 -19.938 -1.483 233 2HH2 ARG 30 1HH1 ARG 30 0.288 -20.886 -1.031 234 H GLY 31 H GLY 31 -2.504 -12.875 -2.307 235 1HA GLY 31 2HA GLY 31 -4.622 -12.031 -2.198 236 2HA GLY 31 1HA GLY 31 -4.350 -11.282 -0.621 237 H ILE 32 H ILE 32 -1.691 -10.057 -1.670 238 HA ILE 32 HA ILE 32 -2.896 -7.835 -3.200 239 HB ILE 32 HB ILE 32 -0.517 -8.127 -1.537 240 1HG1 ILE 32 2HG1 ILE 32 -1.748 -5.712 -2.923 241 2HG1 ILE 32 3HG1 ILE 32 -2.416 -6.443 -1.453 242 1HG2 ILE 32 1HG2 ILE 32 -0.029 -6.894 -4.282 243 2HG2 ILE 32 2HG2 ILE 32 1.023 -6.746 -2.876 244 3HG2 ILE 32 3HG2 ILE 32 0.779 -8.332 -3.603 245 1HD1 ILE 32 1HD1 ILE 32 -1.088 -5.098 -0.280 246 2HD1 ILE 32 2HD1 ILE 32 0.278 -6.104 -0.781 247 3HD1 ILE 32 3HD1 ILE 32 -0.140 -4.651 -1.698 248 H LEU 33 H LEU 33 -2.675 -7.579 -5.333 249 HA LEU 33 HA LEU 33 -1.344 -9.780 -6.859 250 1HB LEU 33 2HB LEU 33 -2.832 -9.430 -8.626 251 2HB LEU 33 3HB LEU 33 -3.756 -9.569 -7.140 252 HG LEU 33 HG LEU 33 -3.471 -6.830 -7.313 253 1HD1 LEU 33 1HD1 LEU 33 -3.907 -6.152 -9.618 254 2HD1 LEU 33 2HD1 LEU 33 -2.377 -7.042 -9.560 255 3HD1 LEU 33 3HD1 LEU 33 -3.841 -7.839 -10.163 256 1HD2 LEU 33 1HD2 LEU 33 -5.804 -6.806 -8.098 257 2HD2 LEU 33 2HD2 LEU 33 -5.674 -8.521 -8.545 258 3HD2 LEU 33 3HD2 LEU 33 -5.552 -8.029 -6.841 259 H TYR 34 H TYR 34 -1.469 -6.185 -6.406 260 HA TYR 34 HA TYR 34 1.195 -6.028 -7.520 261 1HB TYR 34 2HB TYR 34 -0.095 -5.998 -9.612 262 2HB TYR 34 3HB TYR 34 -1.181 -4.784 -8.958 263 HD1 TYR 34 HD1 TYR 34 2.327 -5.405 -10.080 264 HD2 TYR 34 HD2 TYR 34 -0.647 -2.437 -9.119 265 HE1 TYR 34 HE1 TYR 34 3.701 -3.656 -11.184 266 HE2 TYR 34 HE2 TYR 34 0.686 -0.715 -10.285 267 HH TYR 34 HH TYR 34 2.631 -0.260 -11.458 268 H CYS 35 H CYS 35 2.024 -3.752 -7.204 269 HA CYS 35 HA CYS 35 0.180 -1.920 -5.904 270 1HB CYS 35 2HB CYS 35 3.020 -2.180 -4.777 271 2HB CYS 35 3HB CYS 35 1.706 -1.147 -4.221 272 HG CYS 35 HG CYS 35 2.117 -2.867 -2.462 273 H SER 36 H SER 36 0.996 0.309 -6.202 274 HA SER 36 HA SER 36 3.763 0.384 -6.687 275 1HB SER 36 2HB SER 36 3.204 0.419 -9.054 276 2HB SER 36 3HB SER 36 2.112 1.805 -8.808 277 HG SER 36 HG SER 36 4.857 1.898 -8.049 278 H VAL 37 H VAL 37 4.688 2.248 -5.779 279 HA VAL 37 HA VAL 37 2.758 4.169 -4.599 280 HB VAL 37 HB VAL 37 3.865 2.605 -2.984 281 1HG1 VAL 37 1HG1 VAL 37 6.393 4.178 -3.553 282 2HG1 VAL 37 2HG1 VAL 37 6.171 2.770 -2.495 283 3HG1 VAL 37 3HG1 VAL 37 6.092 2.577 -4.254 284 1HG2 VAL 37 1HG2 VAL 37 3.103 4.737 -2.128 285 2HG2 VAL 37 2HG2 VAL 37 4.666 4.349 -1.407 286 3HG2 VAL 37 3HG2 VAL 37 4.565 5.549 -2.711 287 H ALA 38 H ALA 38 3.084 6.309 -4.783 288 HA ALA 38 HA ALA 38 5.446 7.205 -6.391 289 1HB ALA 38 1HB ALA 38 3.429 7.271 -7.782 290 2HB ALA 38 2HB ALA 38 2.618 8.287 -6.558 291 3HB ALA 38 3HB ALA 38 4.070 8.890 -7.396 292 H LEU 39 H LEU 39 6.527 8.808 -5.623 293 HA LEU 39 HA LEU 39 6.285 9.773 -2.940 294 1HB LEU 39 2HB LEU 39 7.873 10.878 -5.296 295 2HB LEU 39 3HB LEU 39 8.097 11.329 -3.604 296 HG LEU 39 HG LEU 39 8.596 8.554 -4.783 297 1HD1 LEU 39 1HD1 LEU 39 10.953 9.076 -4.362 298 2HD1 LEU 39 2HD1 LEU 39 10.246 10.282 -5.451 299 3HD1 LEU 39 3HD1 LEU 39 10.513 10.680 -3.738 300 1HD2 LEU 39 1HD2 LEU 39 8.803 9.655 -1.952 301 2HD2 LEU 39 2HD2 LEU 39 7.964 8.196 -2.509 302 3HD2 LEU 39 3HD2 LEU 39 9.724 8.235 -2.485 303 H ALA 40 H ALA 40 5.363 11.154 -6.072 304 HA ALA 40 HA ALA 40 5.286 13.809 -5.540 305 1HB ALA 40 1HB ALA 40 3.299 12.261 -7.257 306 2HB ALA 40 2HB ALA 40 3.649 13.998 -7.377 307 3HB ALA 40 3HB ALA 40 4.914 12.813 -7.756 308 H THR 41 H THR 41 2.739 11.508 -4.655 309 HA THR 41 HA THR 41 1.465 13.583 -2.929 310 HB THR 41 HB THR 41 -0.700 12.261 -3.607 311 HG1 THR 41 1HG THR 41 0.887 11.976 -5.938 312 1HG2 THR 41 1HG2 THR 41 0.592 14.278 -5.500 313 2HG2 THR 41 2HG2 THR 41 -1.137 13.877 -5.431 314 3HG2 THR 41 3HG2 THR 41 -0.355 14.666 -4.049 315 H ASN 42 H ASN 42 3.443 11.469 -2.530 316 HA ASN 42 HA ASN 42 3.872 9.494 -1.506 317 1HB ASN 42 2HB ASN 42 2.366 10.945 0.694 318 2HB ASN 42 3HB ASN 42 3.544 9.649 0.936 319 1HD2 ASN 42 1HD2 ASN 42 5.860 10.202 0.980 320 2HD2 ASN 42 2HD2 ASN 42 6.337 11.846 0.660 321 H LYS 43 H LYS 43 1.994 8.685 -3.129 322 HA LYS 43 HA LYS 43 -0.218 7.458 -1.505 323 1HB LYS 43 2HB LYS 43 -1.510 7.299 -3.504 324 2HB LYS 43 3HB LYS 43 -1.129 8.980 -3.102 325 1HG LYS 43 2HG LYS 43 0.348 9.211 -4.938 326 2HG LYS 43 3HG LYS 43 0.540 7.479 -5.168 327 1HD LYS 43 2HD LYS 43 -0.855 8.373 -6.920 328 2HD LYS 43 3HD LYS 43 -1.722 7.181 -5.937 329 1HE LYS 43 2HE LYS 43 -2.898 8.960 -4.727 330 2HE LYS 43 3HE LYS 43 -1.980 10.222 -5.564 331 1HZ LYS 43 1HZ LYS 43 -4.358 9.178 -6.302 332 2HZ LYS 43 2HZ LYS 43 -3.335 9.937 -7.406 333 3HZ LYS 43 3HZ LYS 43 -3.423 8.285 -7.176 334 H ALA 44 H ALA 44 -0.404 5.304 -1.434 335 HA ALA 44 HA ALA 44 1.199 3.635 -3.326 336 1HB ALA 44 1HB ALA 44 1.343 1.953 -1.736 337 2HB ALA 44 2HB ALA 44 1.850 3.402 -0.884 338 3HB ALA 44 3HB ALA 44 0.226 2.760 -0.604 339 H HIS 45 H HIS 45 -0.075 2.878 -4.932 340 HA HIS 45 HA HIS 45 -2.950 2.470 -4.489 341 1HB HIS 45 2HB HIS 45 -2.221 3.756 -6.409 342 2HB HIS 45 3HB HIS 45 -1.008 2.542 -6.827 343 HD1 HIS 45 1HD HIS 45 -2.536 3.042 -9.131 344 HD2 HIS 45 2HD HIS 45 -3.798 0.339 -6.158 345 HE1 HIS 45 1HE HIS 45 -3.945 1.319 -10.274 346 H ILE 46 H ILE 46 -3.132 0.582 -3.390 347 HA ILE 46 HA ILE 46 -1.344 -1.753 -3.994 348 HB ILE 46 HB ILE 46 -3.097 -0.950 -1.647 349 1HG1 ILE 46 2HG1 ILE 46 -1.171 -1.461 -0.297 350 2HG1 ILE 46 3HG1 ILE 46 -0.315 -2.196 -1.643 351 1HG2 ILE 46 1HG2 ILE 46 -2.521 -3.299 -0.765 352 2HG2 ILE 46 2HG2 ILE 46 -3.804 -3.175 -1.963 353 3HG2 ILE 46 3HG2 ILE 46 -2.186 -3.692 -2.463 354 1HD1 ILE 46 1HD1 ILE 46 0.057 -0.025 -2.662 355 2HD1 ILE 46 2HD1 ILE 46 -0.997 0.754 -1.449 356 3HD1 ILE 46 3HD1 ILE 46 0.540 0.008 -0.956 357 H LYS 47 H LYS 47 -2.297 -3.548 -5.066 358 HA LYS 47 HA LYS 47 -5.218 -3.353 -5.702 359 1HB LYS 47 2HB LYS 47 -2.923 -4.473 -7.359 360 2HB LYS 47 3HB LYS 47 -4.642 -4.509 -7.763 361 1HG LYS 47 2HG LYS 47 -4.599 -1.942 -7.622 362 2HG LYS 47 3HG LYS 47 -2.858 -2.044 -7.395 363 1HD LYS 47 2HD LYS 47 -2.884 -1.690 -9.637 364 2HD LYS 47 3HD LYS 47 -2.902 -3.457 -9.642 365 1HE LYS 47 2HE LYS 47 -5.253 -1.546 -10.039 366 2HE LYS 47 3HE LYS 47 -4.488 -2.542 -11.274 367 1HZ LYS 47 1HZ LYS 47 -5.283 -4.511 -10.119 368 2HZ LYS 47 2HZ LYS 47 -6.043 -3.622 -8.969 369 3HZ LYS 47 3HZ LYS 47 -6.566 -3.547 -10.450 370 H TYR 48 H TYR 48 -6.378 -5.096 -4.949 371 HA TYR 48 HA TYR 48 -4.997 -7.534 -4.097 372 1HB TYR 48 2HB TYR 48 -5.704 -7.211 -1.777 373 2HB TYR 48 3HB TYR 48 -4.573 -5.970 -2.276 374 HD1 TYR 48 HD1 TYR 48 -5.632 -3.651 -3.067 375 HD2 TYR 48 HD2 TYR 48 -7.762 -6.532 -0.687 376 HE1 TYR 48 HE1 TYR 48 -6.504 -1.849 -1.664 377 HE2 TYR 48 HE2 TYR 48 -8.732 -4.725 0.646 378 HH TYR 48 HH TYR 48 -7.655 -1.340 0.256 379 H ASP 49 H ASP 49 -6.501 -9.217 -3.387 380 HA ASP 49 HA ASP 49 -9.065 -9.068 -4.729 381 1HB ASP 49 2HB ASP 49 -9.471 -11.269 -3.977 382 2HB ASP 49 3HB ASP 49 -7.764 -11.207 -4.427 383 HA PRO 50 HA PRO 50 -11.047 -7.533 -0.910 384 1HB PRO 50 2HB PRO 50 -13.575 -7.206 -1.788 385 2HB PRO 50 3HB PRO 50 -12.239 -6.324 -2.577 386 1HG PRO 50 2HG PRO 50 -13.472 -8.953 -3.488 387 2HG PRO 50 3HG PRO 50 -13.259 -7.459 -4.454 388 1HD PRO 50 2HD PRO 50 -11.430 -9.522 -4.475 389 2HD PRO 50 3HD PRO 50 -10.960 -7.800 -4.643 390 H GLU 51 H GLU 51 -10.629 -10.611 -1.332 391 HA GLU 51 HA GLU 51 -13.263 -11.656 -0.391 392 1HB GLU 51 2HB GLU 51 -11.044 -12.960 -2.024 393 2HB GLU 51 3HB GLU 51 -12.567 -13.712 -1.530 394 1HG GLU 51 2HG GLU 51 -13.839 -12.039 -2.826 395 2HG GLU 51 3HG GLU 51 -12.340 -11.219 -3.275 396 H ILE 52 H ILE 52 -9.739 -12.304 -0.209 397 HA ILE 52 HA ILE 52 -10.145 -13.509 2.512 398 HB ILE 52 HB ILE 52 -7.826 -14.329 2.266 399 1HG1 ILE 52 2HG1 ILE 52 -8.087 -13.859 -0.729 400 2HG1 ILE 52 3HG1 ILE 52 -7.188 -12.745 0.304 401 1HG2 ILE 52 1HG2 ILE 52 -9.835 -15.308 0.192 402 2HG2 ILE 52 2HG2 ILE 52 -8.503 -16.255 0.884 403 3HG2 ILE 52 3HG2 ILE 52 -9.834 -15.727 1.916 404 1HD1 ILE 52 1HD1 ILE 52 -5.710 -14.534 1.068 405 2HD1 ILE 52 2HD1 ILE 52 -6.514 -15.669 -0.048 406 3HD1 ILE 52 3HD1 ILE 52 -5.645 -14.257 -0.679 407 H ILE 53 H ILE 53 -8.220 -11.056 0.748 408 HA ILE 53 HA ILE 53 -7.049 -10.175 3.323 409 HB ILE 53 HB ILE 53 -5.623 -10.685 1.350 410 1HG1 ILE 53 2HG1 ILE 53 -4.487 -8.256 1.366 411 2HG1 ILE 53 3HG1 ILE 53 -5.516 -8.022 2.759 412 1HG2 ILE 53 1HG2 ILE 53 -7.098 -9.781 -0.401 413 2HG2 ILE 53 2HG2 ILE 53 -6.753 -8.143 0.205 414 3HG2 ILE 53 3HG2 ILE 53 -5.461 -9.127 -0.489 415 1HD1 ILE 53 1HD1 ILE 53 -3.281 -8.900 3.370 416 2HD1 ILE 53 2HD1 ILE 53 -4.531 -10.105 3.771 417 3HD1 ILE 53 3HD1 ILE 53 -3.528 -10.298 2.313 418 H GLY 54 H GLY 54 -7.229 -7.933 3.986 419 1HA GLY 54 2HA GLY 54 -9.361 -6.317 2.630 420 2HA GLY 54 1HA GLY 54 -9.422 -6.643 4.376 421 HA PRO 55 HA PRO 55 -6.854 -2.741 3.162 422 1HB PRO 55 2HB PRO 55 -8.347 -1.004 4.743 423 2HB PRO 55 3HB PRO 55 -8.576 -1.276 2.996 424 1HG PRO 55 2HG PRO 55 -10.087 -2.559 5.277 425 2HG PRO 55 3HG PRO 55 -10.745 -1.859 3.771 426 1HD PRO 55 2HD PRO 55 -10.413 -4.515 3.999 427 2HD PRO 55 3HD PRO 55 -9.965 -3.703 2.474 428 H ARG 56 H ARG 56 -8.417 -3.807 6.164 429 HA ARG 56 HA ARG 56 -6.800 -3.000 8.179 430 1HB ARG 56 2HB ARG 56 -7.545 -4.927 9.387 431 2HB ARG 56 3HB ARG 56 -8.843 -4.511 8.261 432 1HG ARG 56 2HG ARG 56 -7.746 -6.237 6.656 433 2HG ARG 56 3HG ARG 56 -6.788 -6.709 8.086 434 1HD ARG 56 2HD ARG 56 -8.832 -7.458 9.198 435 2HD ARG 56 3HD ARG 56 -9.757 -7.033 7.730 436 HE ARG 56 HE ARG 56 -7.308 -8.740 7.519 437 1HH1 ARG 56 2HH2 ARG 56 -10.841 -8.924 7.380 438 2HH1 ARG 56 1HH2 ARG 56 -10.842 -10.049 6.045 439 1HH2 ARG 56 2HH1 ARG 56 -7.352 -9.867 5.639 440 2HH2 ARG 56 1HH1 ARG 56 -8.733 -10.813 5.138 441 H ASP 57 H ASP 57 -5.972 -5.697 5.899 442 HA ASP 57 HA ASP 57 -3.779 -6.599 7.553 443 1HB ASP 57 2HB ASP 57 -4.380 -7.242 4.648 444 2HB ASP 57 3HB ASP 57 -3.361 -8.173 5.756 445 H ILE 58 H ILE 58 -4.132 -4.905 4.473 446 HA ILE 58 HA ILE 58 -1.410 -4.386 3.841 447 HB ILE 58 HB ILE 58 -3.895 -2.689 3.360 448 1HG1 ILE 58 2HG1 ILE 58 -2.572 -4.522 1.341 449 2HG1 ILE 58 3HG1 ILE 58 -3.809 -5.153 2.426 450 1HG2 ILE 58 1HG2 ILE 58 -2.595 -1.670 1.509 451 2HG2 ILE 58 2HG2 ILE 58 -1.807 -1.375 3.044 452 3HG2 ILE 58 3HG2 ILE 58 -1.183 -2.641 1.968 453 1HD1 ILE 58 1HD1 ILE 58 -4.279 -2.711 0.686 454 2HD1 ILE 58 2HD1 ILE 58 -4.765 -4.382 0.294 455 3HD1 ILE 58 3HD1 ILE 58 -5.429 -3.554 1.722 456 H ILE 59 H ILE 59 -3.851 -2.562 5.755 457 HA ILE 59 HA ILE 59 -2.197 -0.420 6.346 458 HB ILE 59 HB ILE 59 -4.671 -1.564 7.592 459 1HG1 ILE 59 2HG1 ILE 59 -4.123 1.139 6.299 460 2HG1 ILE 59 3HG1 ILE 59 -4.539 -0.302 5.379 461 1HG2 ILE 59 1HG2 ILE 59 -3.568 -0.695 9.559 462 2HG2 ILE 59 2HG2 ILE 59 -3.152 0.810 8.727 463 3HG2 ILE 59 3HG2 ILE 59 -4.841 0.422 9.091 464 1HD1 ILE 59 1HD1 ILE 59 -6.615 -0.524 6.763 465 2HD1 ILE 59 2HD1 ILE 59 -6.251 1.085 7.449 466 3HD1 ILE 59 3HD1 ILE 59 -6.522 0.905 5.702 467 H HIS 60 H HIS 60 -2.762 -3.406 8.257 468 HA HIS 60 HA HIS 60 -1.047 -2.753 10.442 469 1HB HIS 60 2HB HIS 60 -1.569 -5.512 9.256 470 2HB HIS 60 3HB HIS 60 -0.989 -5.154 10.884 471 HD1 HIS 60 1HD HIS 60 -3.744 -6.746 10.041 472 HD2 HIS 60 2HD HIS 60 -3.316 -2.794 11.434 473 HE1 HIS 60 1HE HIS 60 -5.977 -6.088 11.083 474 H THR 61 H THR 61 -0.480 -4.258 7.301 475 HA THR 61 HA THR 61 2.249 -4.998 7.709 476 HB THR 61 HB THR 61 0.656 -4.399 5.199 477 HG1 THR 61 1HG THR 61 -0.167 -6.081 6.347 478 1HG2 THR 61 1HG2 THR 61 3.327 -5.857 5.538 479 2HG2 THR 61 2HG2 THR 61 2.351 -5.855 4.058 480 3HG2 THR 61 3HG2 THR 61 3.078 -4.343 4.636 481 H ILE 62 H ILE 62 0.857 -2.046 6.117 482 HA ILE 62 HA ILE 62 3.425 -0.865 5.629 483 HB ILE 62 HB ILE 62 0.650 0.323 5.820 484 1HG1 ILE 62 2HG1 ILE 62 1.133 -1.361 3.945 485 2HG1 ILE 62 3HG1 ILE 62 0.489 0.213 3.491 486 1HG2 ILE 62 1HG2 ILE 62 2.157 2.143 6.207 487 2HG2 ILE 62 2HG2 ILE 62 3.272 1.585 4.947 488 3HG2 ILE 62 3HG2 ILE 62 1.686 2.251 4.518 489 1HD1 ILE 62 1HD1 ILE 62 2.293 -0.599 1.990 490 2HD1 ILE 62 2HD1 ILE 62 2.667 0.967 2.713 491 3HD1 ILE 62 3HD1 ILE 62 3.443 -0.504 3.337 492 H GLU 63 H GLU 63 1.086 -0.522 8.345 493 HA GLU 63 HA GLU 63 2.545 1.360 9.885 494 1HB GLU 63 2HB GLU 63 0.729 -0.951 10.660 495 2HB GLU 63 3HB GLU 63 1.357 0.226 11.822 496 1HG GLU 63 2HG GLU 63 0.279 2.071 10.688 497 2HG GLU 63 3HG GLU 63 -0.232 1.042 9.350 498 H SER 64 H SER 64 2.784 -2.232 9.772 499 HA SER 64 HA SER 64 4.911 -2.432 11.627 500 1HB SER 64 2HB SER 64 3.477 -4.325 10.785 501 2HB SER 64 3HB SER 64 4.425 -4.311 9.286 502 HG SER 64 HG SER 64 6.302 -4.490 10.830 503 H LEU 65 H LEU 65 5.006 -1.878 8.062 504 HA LEU 65 HA LEU 65 7.902 -1.916 7.923 505 1HB LEU 65 2HB LEU 65 5.905 -0.470 6.139 506 2HB LEU 65 3HB LEU 65 7.631 -0.642 5.824 507 HG LEU 65 HG LEU 65 5.598 -2.907 5.926 508 1HD1 LEU 65 1HD1 LEU 65 5.538 -1.463 3.909 509 2HD1 LEU 65 2HD1 LEU 65 7.265 -1.771 3.643 510 3HD1 LEU 65 3HD1 LEU 65 6.096 -3.105 3.542 511 1HD2 LEU 65 1HD2 LEU 65 7.689 -3.812 6.778 512 2HD2 LEU 65 2HD2 LEU 65 7.492 -4.328 5.104 513 3HD2 LEU 65 3HD2 LEU 65 8.612 -3.004 5.487 514 H GLY 66 H GLY 66 5.549 0.601 8.724 515 1HA GLY 66 2HA GLY 66 6.173 2.067 10.522 516 2HA GLY 66 1HA GLY 66 7.808 2.201 9.884 517 H PHE 67 H PHE 67 4.652 2.474 8.154 518 HA PHE 67 HA PHE 67 5.004 5.418 7.949 519 1HB PHE 67 2HB PHE 67 4.034 3.749 5.621 520 2HB PHE 67 3HB PHE 67 4.475 5.448 5.630 521 HD1 PHE 67 1HD PHE 67 7.098 5.757 6.565 522 HD2 PHE 67 2HD PHE 67 5.521 2.321 4.485 523 HE1 PHE 67 1HE PHE 67 9.367 5.207 5.741 524 HE2 PHE 67 2HE PHE 67 7.795 1.764 3.692 525 HZ PHE 67 HZ PHE 67 9.721 3.221 4.298 526 H GLU 68 H GLU 68 2.776 6.446 7.516 527 HA GLU 68 HA GLU 68 0.711 4.843 8.904 528 1HB GLU 68 2HB GLU 68 0.956 7.754 8.237 529 2HB GLU 68 3HB GLU 68 -0.373 7.005 9.113 530 1HG GLU 68 2HG GLU 68 1.224 6.361 10.920 531 2HG GLU 68 3HG GLU 68 2.548 7.124 10.012 532 HA PRO 69 HA PRO 69 -0.854 4.533 4.584 533 1HB PRO 69 2HB PRO 69 -2.384 2.319 4.834 534 2HB PRO 69 3HB PRO 69 -0.600 2.239 4.883 535 1HG PRO 69 2HG PRO 69 -2.522 2.276 7.199 536 2HG PRO 69 3HG PRO 69 -1.113 1.204 6.952 537 1HD PRO 69 2HD PRO 69 -1.047 3.445 8.522 538 2HD PRO 69 3HD PRO 69 0.369 2.806 7.640 539 H SER 70 H SER 70 -2.010 6.548 4.766 540 HA SER 70 HA SER 70 -4.568 6.622 6.180 541 1HB SER 70 2HB SER 70 -3.765 8.733 4.196 542 2HB SER 70 3HB SER 70 -4.573 8.883 5.745 543 HG SER 70 HG SER 70 -1.822 8.354 5.200 544 H LEU 71 H LEU 71 -5.947 5.045 5.148 545 HA LEU 71 HA LEU 71 -6.231 4.764 2.328 546 1HB LEU 71 2HB LEU 71 -8.274 3.600 2.776 547 2HB LEU 71 3HB LEU 71 -6.982 3.096 3.854 548 HG LEU 71 HG LEU 71 -8.360 5.143 5.289 549 1HD1 LEU 71 1HD1 LEU 71 -10.683 4.347 5.290 550 2HD1 LEU 71 2HD1 LEU 71 -10.248 4.868 3.653 551 3HD1 LEU 71 3HD1 LEU 71 -10.301 3.138 4.046 552 1HD2 LEU 71 1HD2 LEU 71 -8.564 2.126 5.548 553 2HD2 LEU 71 2HD2 LEU 71 -7.302 3.164 6.264 554 3HD2 LEU 71 3HD2 LEU 71 -8.986 3.325 6.787 555 H VAL 72 H VAL 72 -6.580 6.476 0.987 556 HA VAL 72 HA VAL 72 -8.824 8.366 1.661 557 HB VAL 72 HB VAL 72 -6.388 8.816 -0.078 558 1HG1 VAL 72 1HG1 VAL 72 -8.244 10.073 -0.933 559 2HG1 VAL 72 2HG1 VAL 72 -8.697 10.653 0.682 560 3HG1 VAL 72 3HG1 VAL 72 -7.191 11.197 -0.089 561 1HG2 VAL 72 1HG2 VAL 72 -5.796 10.536 1.678 562 2HG2 VAL 72 2HG2 VAL 72 -7.199 10.023 2.637 563 3HG2 VAL 72 3HG2 VAL 72 -5.838 8.927 2.385 564 H LYS 73 H LYS 73 -7.088 7.111 -1.257 565 HA LYS 73 HA LYS 73 -7.924 6.789 -3.389 566 1HB LYS 73 2HB LYS 73 -8.532 4.806 -2.355 567 2HB LYS 73 3HB LYS 73 -9.931 5.396 -1.566 568 1HG LYS 73 2HG LYS 73 -9.745 5.208 -4.599 569 2HG LYS 73 3HG LYS 73 -10.126 3.831 -3.576 570 1HD LYS 73 2HD LYS 73 -11.847 6.207 -4.153 571 2HD LYS 73 3HD LYS 73 -12.170 4.502 -4.278 572 1HE LYS 73 2HE LYS 73 -13.492 5.156 -2.489 573 2HE LYS 73 3HE LYS 73 -12.109 4.414 -1.672 574 1HZ LYS 73 1HZ LYS 73 -12.438 7.313 -2.203 575 2HZ LYS 73 2HZ LYS 73 -12.921 6.742 -0.816 576 3HZ LYS 73 3HZ LYS 73 -11.327 6.715 -1.197 577 H ILE 74 H ILE 74 -7.947 9.254 -3.127 578 HA ILE 74 HA ILE 74 -8.782 11.282 -3.536 579 HB ILE 74 HB ILE 74 -11.114 9.837 -4.865 580 1HG1 ILE 74 2HG1 ILE 74 -10.025 10.716 -6.935 581 2HG1 ILE 74 3HG1 ILE 74 -8.631 11.233 -5.983 582 1HG2 ILE 74 1HG2 ILE 74 -11.853 12.071 -4.172 583 2HG2 ILE 74 2HG2 ILE 74 -10.372 12.788 -4.840 584 3HG2 ILE 74 3HG2 ILE 74 -11.577 12.041 -5.908 585 1HD1 ILE 74 1HD1 ILE 74 -8.014 8.919 -5.565 586 2HD1 ILE 74 2HD1 ILE 74 -9.593 8.339 -6.161 587 3HD1 ILE 74 3HD1 ILE 74 -8.413 9.057 -7.274 588 H GLU 75 H GLU 75 -11.855 9.577 -2.714 589 HA GLU 75 HA GLU 75 -11.842 10.301 0.004 590 1HB GLU 75 2HB GLU 75 -12.666 12.498 -1.008 591 2HB GLU 75 3HB GLU 75 -14.018 11.599 -1.722 592 1HG GLU 75 2HG GLU 75 -14.787 10.965 0.539 593 2HG GLU 75 3HG GLU 75 -13.375 11.755 1.260 Start of MODEL 18 1 1H MET 1 H1 MET 1 -13.656 -10.943 -5.959 2 2H MET 1 H2 MET 1 -14.881 -11.978 -6.417 3 3H MET 1 H3 MET 1 -13.386 -12.483 -5.894 4 HA MET 1 HA MET 1 -13.699 -12.654 -8.347 5 1HB MET 1 2HB MET 1 -13.588 -9.607 -8.229 6 2HB MET 1 3HB MET 1 -13.740 -10.637 -9.660 7 1HG MET 1 2HG MET 1 -15.809 -10.094 -7.512 8 2HG MET 1 3HG MET 1 -15.897 -9.748 -9.237 9 1HE MET 1 1HE MET 1 -18.774 -12.350 -8.684 10 2HE MET 1 2HE MET 1 -18.249 -11.093 -7.544 11 3HE MET 1 3HE MET 1 -18.352 -10.733 -9.284 12 H GLY 2 H GLY 2 -11.727 -10.476 -6.259 13 1HA GLY 2 2HA GLY 2 -9.513 -10.248 -6.126 14 2HA GLY 2 1HA GLY 2 -9.272 -11.694 -7.124 15 H ASP 3 H ASP 3 -10.358 -8.274 -7.370 16 HA ASP 3 HA ASP 3 -8.451 -7.552 -9.357 17 1HB ASP 3 2HB ASP 3 -10.105 -8.668 -10.857 18 2HB ASP 3 3HB ASP 3 -11.396 -7.660 -10.183 19 H GLY 4 H GLY 4 -8.981 -5.184 -9.926 20 1HA GLY 4 2HA GLY 4 -9.977 -3.097 -9.344 21 2HA GLY 4 1HA GLY 4 -10.461 -3.727 -7.763 22 H VAL 5 H VAL 5 -9.423 -1.500 -7.256 23 HA VAL 5 HA VAL 5 -6.865 -2.006 -6.078 24 HB VAL 5 HB VAL 5 -6.065 -1.359 -8.286 25 1HG1 VAL 5 1HG1 VAL 5 -7.717 1.182 -8.058 26 2HG1 VAL 5 2HG1 VAL 5 -6.526 0.807 -9.319 27 3HG1 VAL 5 3HG1 VAL 5 -8.003 -0.161 -9.189 28 1HG2 VAL 5 1HG2 VAL 5 -4.661 0.523 -7.763 29 2HG2 VAL 5 2HG2 VAL 5 -5.757 1.088 -6.493 30 3HG2 VAL 5 3HG2 VAL 5 -4.855 -0.426 -6.278 31 H LEU 6 H LEU 6 -6.416 -0.581 -4.385 32 HA LEU 6 HA LEU 6 -8.265 1.691 -4.057 33 1HB LEU 6 2HB LEU 6 -8.100 -0.602 -2.267 34 2HB LEU 6 3HB LEU 6 -7.495 0.828 -1.429 35 HG LEU 6 HG LEU 6 -10.151 0.720 -2.920 36 1HD1 LEU 6 1HD1 LEU 6 -9.576 0.401 0.056 37 2HD1 LEU 6 2HD1 LEU 6 -11.189 0.551 -0.672 38 3HD1 LEU 6 3HD1 LEU 6 -10.186 -0.856 -1.050 39 1HD2 LEU 6 1HD2 LEU 6 -8.978 2.735 -0.937 40 2HD2 LEU 6 2HD2 LEU 6 -9.353 3.036 -2.648 41 3HD2 LEU 6 3HD2 LEU 6 -10.658 2.745 -1.502 42 H GLU 7 H GLU 7 -7.290 3.400 -2.756 43 HA GLU 7 HA GLU 7 -4.343 3.457 -3.029 44 1HB GLU 7 2HB GLU 7 -6.325 5.627 -3.864 45 2HB GLU 7 3HB GLU 7 -4.574 5.770 -3.755 46 1HG GLU 7 2HG GLU 7 -4.540 3.753 -5.432 47 2HG GLU 7 3HG GLU 7 -6.202 4.249 -5.790 48 H LEU 8 H LEU 8 -3.271 4.504 -1.449 49 HA LEU 8 HA LEU 8 -4.730 6.015 0.616 50 1HB LEU 8 2HB LEU 8 -3.286 4.632 2.331 51 2HB LEU 8 3HB LEU 8 -4.890 4.100 1.892 52 HG LEU 8 HG LEU 8 -2.646 3.014 0.225 53 1HD1 LEU 8 1HD1 LEU 8 -3.204 2.082 3.060 54 2HD1 LEU 8 2HD1 LEU 8 -2.149 1.282 1.877 55 3HD1 LEU 8 3HD1 LEU 8 -1.718 2.887 2.484 56 1HD2 LEU 8 1HD2 LEU 8 -5.076 2.351 -0.142 57 2HD2 LEU 8 2HD2 LEU 8 -4.108 0.971 0.367 58 3HD2 LEU 8 3HD2 LEU 8 -5.144 1.790 1.534 59 H VAL 9 H VAL 9 -3.426 7.439 1.702 60 HA VAL 9 HA VAL 9 -0.948 8.177 0.297 61 HB VAL 9 HB VAL 9 -2.376 9.535 2.600 62 1HG1 VAL 9 1HG1 VAL 9 -0.207 10.535 0.690 63 2HG1 VAL 9 2HG1 VAL 9 -0.964 11.460 1.999 64 3HG1 VAL 9 3HG1 VAL 9 0.079 10.082 2.386 65 1HG2 VAL 9 1HG2 VAL 9 -3.104 11.139 0.836 66 2HG2 VAL 9 2HG2 VAL 9 -2.374 10.106 -0.407 67 3HG2 VAL 9 3HG2 VAL 9 -3.761 9.523 0.530 68 H VAL 10 H VAL 10 1.044 7.496 1.074 69 HA VAL 10 HA VAL 10 1.146 6.019 3.672 70 HB VAL 10 HB VAL 10 3.083 4.916 2.526 71 1HG1 VAL 10 1HG1 VAL 10 0.918 3.791 2.948 72 2HG1 VAL 10 2HG1 VAL 10 0.281 4.419 1.417 73 3HG1 VAL 10 3HG1 VAL 10 1.614 3.246 1.414 74 1HG2 VAL 10 1HG2 VAL 10 3.237 6.494 0.599 75 2HG2 VAL 10 2HG2 VAL 10 3.170 4.792 0.120 76 3HG2 VAL 10 3HG2 VAL 10 1.735 5.815 -0.049 77 H ARG 11 H ARG 11 1.313 8.040 4.665 78 HA ARG 11 HA ARG 11 3.389 9.874 3.711 79 1HB ARG 11 2HB ARG 11 2.692 11.374 5.522 80 2HB ARG 11 3HB ARG 11 1.410 10.872 4.421 81 1HG ARG 11 2HG ARG 11 0.874 9.078 6.286 82 2HG ARG 11 3HG ARG 11 1.804 10.151 7.327 83 1HD ARG 11 2HD ARG 11 0.170 11.957 6.910 84 2HD ARG 11 3HD ARG 11 -0.543 11.051 5.573 85 HE ARG 11 HE ARG 11 -1.742 9.681 6.985 86 1HH1 ARG 11 2HH2 ARG 11 0.624 11.460 8.953 87 2HH1 ARG 11 1HH2 ARG 11 0.383 10.389 10.296 88 1HH2 ARG 11 2HH1 ARG 11 -2.212 8.564 8.804 89 2HH2 ARG 11 1HH1 ARG 11 -1.147 8.774 10.229 90 H GLY 12 H GLY 12 5.386 10.049 4.412 91 1HA GLY 12 2HA GLY 12 6.992 9.463 6.363 92 2HA GLY 12 1HA GLY 12 6.383 7.822 6.106 93 H MET 13 H MET 13 6.123 7.757 3.214 94 HA MET 13 HA MET 13 8.930 7.247 2.746 95 1HB MET 13 2HB MET 13 8.254 6.337 0.637 96 2HB MET 13 3HB MET 13 7.149 5.747 1.894 97 1HG MET 13 2HG MET 13 5.468 7.351 1.030 98 2HG MET 13 3HG MET 13 6.664 7.999 -0.099 99 1HE MET 13 1HE MET 13 4.120 7.398 -1.115 100 2HE MET 13 2HE MET 13 5.491 7.799 -2.152 101 3HE MET 13 3HE MET 13 4.398 6.470 -2.604 102 H THR 14 H THR 14 10.369 8.260 1.355 103 HA THR 14 HA THR 14 9.465 10.651 -0.146 104 HB THR 14 HB THR 14 9.952 11.413 2.139 105 HG1 THR 14 1HG THR 14 11.623 12.203 0.015 106 1HG2 THR 14 1HG2 THR 14 12.243 11.438 2.993 107 2HG2 THR 14 2HG2 THR 14 11.694 9.766 2.785 108 3HG2 THR 14 3HG2 THR 14 12.815 10.489 1.610 109 H CYS 15 H CYS 15 11.368 7.825 -0.346 110 HA CYS 15 HA CYS 15 12.536 8.813 -2.789 111 1HB CYS 15 2HB CYS 15 14.899 8.110 -2.005 112 2HB CYS 15 3HB CYS 15 14.296 9.697 -1.552 113 H ALA 16 H ALA 16 13.858 7.058 -3.805 114 HA ALA 16 HA ALA 16 12.342 4.868 -4.379 115 1HB ALA 16 1HB ALA 16 14.375 3.881 -5.357 116 2HB ALA 16 2HB ALA 16 14.254 5.616 -5.713 117 3HB ALA 16 3HB ALA 16 15.380 5.040 -4.461 118 H SER 17 H SER 17 14.927 5.014 -1.904 119 HA SER 17 HA SER 17 15.080 2.469 -0.937 120 1HB SER 17 2HB SER 17 14.884 5.011 0.720 121 2HB SER 17 3HB SER 17 15.758 3.519 1.124 122 HG SER 17 HG SER 17 17.069 3.914 -0.734 123 H CYS 18 H CYS 18 12.557 4.919 -0.188 124 HA CYS 18 HA CYS 18 11.179 3.196 1.681 125 1HB CYS 18 2HB CYS 18 10.339 5.775 0.333 126 2HB CYS 18 3HB CYS 18 9.556 4.988 1.707 127 H VAL 19 H VAL 19 10.823 4.165 -1.747 128 HA VAL 19 HA VAL 19 8.233 3.289 -2.237 129 HB VAL 19 HB VAL 19 10.675 3.222 -4.082 130 1HG1 VAL 19 1HG1 VAL 19 7.775 3.067 -4.932 131 2HG1 VAL 19 2HG1 VAL 19 9.185 3.205 -5.979 132 3HG1 VAL 19 3HG1 VAL 19 8.948 1.741 -5.028 133 1HG2 VAL 19 1HG2 VAL 19 8.485 5.274 -3.732 134 2HG2 VAL 19 2HG2 VAL 19 10.195 5.422 -3.257 135 3HG2 VAL 19 3HG2 VAL 19 9.770 5.290 -4.971 136 H HIS 20 H HIS 20 11.324 1.535 -2.744 137 HA HIS 20 HA HIS 20 9.936 -0.903 -3.276 138 1HB HIS 20 2HB HIS 20 12.135 -1.882 -3.386 139 2HB HIS 20 3HB HIS 20 11.904 -0.428 -4.365 140 HD1 HIS 20 1HD HIS 20 14.350 0.243 -4.648 141 HD2 HIS 20 2HD HIS 20 13.223 -0.572 -0.693 142 HE1 HIS 20 1HE HIS 20 16.424 0.625 -3.208 143 H LYS 21 H LYS 21 11.176 0.524 -0.187 144 HA LYS 21 HA LYS 21 10.905 -1.756 1.330 145 1HB LYS 21 2HB LYS 21 11.567 0.770 1.953 146 2HB LYS 21 3HB LYS 21 9.855 0.891 2.361 147 1HG LYS 21 2HG LYS 21 10.786 -1.534 3.484 148 2HG LYS 21 3HG LYS 21 12.088 -0.377 3.733 149 1HD LYS 21 2HD LYS 21 9.160 0.056 4.523 150 2HD LYS 21 3HD LYS 21 10.341 -0.644 5.613 151 1HE LYS 21 2HE LYS 21 11.609 1.340 5.804 152 2HE LYS 21 3HE LYS 21 10.823 2.119 4.432 153 1HZ LYS 21 1HZ LYS 21 10.035 2.859 6.693 154 2HZ LYS 21 2HZ LYS 21 8.841 2.376 5.711 155 3HZ LYS 21 3HZ LYS 21 9.348 1.375 6.885 156 H ILE 22 H ILE 22 8.337 0.520 0.135 157 HA ILE 22 HA ILE 22 6.261 -1.182 1.313 158 HB ILE 22 HB ILE 22 5.851 0.907 -0.845 159 1HG1 ILE 22 2HG1 ILE 22 5.709 1.042 2.176 160 2HG1 ILE 22 3HG1 ILE 22 6.895 1.878 1.135 161 1HG2 ILE 22 1HG2 ILE 22 4.046 -0.816 -0.569 162 2HG2 ILE 22 2HG2 ILE 22 4.001 -0.473 1.170 163 3HG2 ILE 22 3HG2 ILE 22 3.489 0.748 0.008 164 1HD1 ILE 22 1HD1 ILE 22 5.041 3.169 0.109 165 2HD1 ILE 22 2HD1 ILE 22 3.936 2.490 1.333 166 3HD1 ILE 22 3HD1 ILE 22 5.304 3.496 1.830 167 H GLU 23 H GLU 23 6.892 -0.438 -2.194 168 HA GLU 23 HA GLU 23 4.944 -2.371 -2.689 169 1HB GLU 23 2HB GLU 23 5.234 -2.023 -4.998 170 2HB GLU 23 3HB GLU 23 5.270 -0.498 -4.085 171 1HG GLU 23 2HG GLU 23 7.654 -0.269 -4.502 172 2HG GLU 23 3HG GLU 23 7.675 -1.823 -5.367 173 H SER 24 H SER 24 8.432 -2.714 -3.048 174 HA SER 24 HA SER 24 8.391 -5.404 -3.981 175 1HB SER 24 2HB SER 24 10.622 -4.222 -2.319 176 2HB SER 24 3HB SER 24 10.691 -5.461 -3.569 177 HG SER 24 HG SER 24 9.826 -3.748 -5.014 178 H SER 25 H SER 25 7.915 -4.097 -0.698 179 HA SER 25 HA SER 25 8.195 -6.750 0.571 180 1HB SER 25 2HB SER 25 8.632 -4.649 1.834 181 2HB SER 25 3HB SER 25 6.913 -4.233 1.677 182 HG SER 25 HG SER 25 8.042 -6.501 2.965 183 H LEU 26 H LEU 26 5.528 -4.554 -0.340 184 HA LEU 26 HA LEU 26 3.397 -6.164 0.458 185 1HB LEU 26 2HB LEU 26 3.766 -4.003 -1.601 186 2HB LEU 26 3HB LEU 26 2.277 -4.929 -1.659 187 HG LEU 26 HG LEU 26 2.163 -2.781 -0.384 188 1HD1 LEU 26 1HD1 LEU 26 0.501 -4.603 -0.125 189 2HD1 LEU 26 2HD1 LEU 26 1.454 -5.248 1.232 190 3HD1 LEU 26 3HD1 LEU 26 0.713 -3.647 1.352 191 1HD2 LEU 26 1HD2 LEU 26 2.905 -2.736 1.954 192 2HD2 LEU 26 2HD2 LEU 26 3.698 -4.304 1.775 193 3HD2 LEU 26 3HD2 LEU 26 4.295 -2.894 0.879 194 H THR 27 H THR 27 5.064 -6.204 -2.702 195 HA THR 27 HA THR 27 3.420 -8.249 -3.887 196 HB THR 27 HB THR 27 5.324 -8.353 -5.546 197 HG1 THR 27 1HG THR 27 6.246 -6.049 -4.194 198 1HG2 THR 27 1HG2 THR 27 4.080 -5.632 -4.917 199 2HG2 THR 27 2HG2 THR 27 4.833 -6.105 -6.454 200 3HG2 THR 27 3HG2 THR 27 3.361 -6.924 -5.901 201 H LYS 28 H LYS 28 3.477 -9.491 -1.834 202 HA LYS 28 HA LYS 28 5.054 -11.917 -2.058 203 1HB LYS 28 2HB LYS 28 5.341 -10.145 0.434 204 2HB LYS 28 3HB LYS 28 5.892 -11.822 0.271 205 1HG LYS 28 2HG LYS 28 7.250 -11.104 -1.706 206 2HG LYS 28 3HG LYS 28 6.866 -9.409 -1.276 207 1HD LYS 28 2HD LYS 28 8.072 -9.474 0.723 208 2HD LYS 28 3HD LYS 28 8.213 -11.239 0.718 209 1HE LYS 28 2HE LYS 28 10.307 -9.906 -0.029 210 2HE LYS 28 3HE LYS 28 9.796 -11.277 -1.024 211 1HZ LYS 28 1HZ LYS 28 9.139 -8.462 -1.640 212 2HZ LYS 28 2HZ LYS 28 10.325 -9.343 -2.359 213 3HZ LYS 28 3HZ LYS 28 8.746 -9.754 -2.545 214 H HIS 29 H HIS 29 2.844 -9.893 0.010 215 HA HIS 29 HA HIS 29 1.725 -12.238 1.236 216 1HB HIS 29 2HB HIS 29 0.191 -10.884 2.323 217 2HB HIS 29 3HB HIS 29 1.707 -9.987 2.275 218 HD1 HIS 29 1HD HIS 29 -1.803 -9.988 0.635 219 HD2 HIS 29 2HD HIS 29 1.623 -7.591 1.205 220 HE1 HIS 29 1HE HIS 29 -2.456 -7.615 -0.025 221 H ARG 30 H ARG 30 -0.104 -13.422 0.692 222 HA ARG 30 HA ARG 30 -0.961 -13.490 -2.017 223 1HB ARG 30 2HB ARG 30 -2.304 -14.540 0.515 224 2HB ARG 30 3HB ARG 30 -2.869 -14.857 -1.134 225 1HG ARG 30 2HG ARG 30 -0.632 -15.838 -1.695 226 2HG ARG 30 3HG ARG 30 -0.157 -15.665 0.008 227 1HD ARG 30 2HD ARG 30 -2.040 -17.119 0.685 228 2HD ARG 30 3HD ARG 30 -2.565 -17.234 -1.015 229 HE ARG 30 HE ARG 30 0.163 -18.047 -0.790 230 1HH1 ARG 30 2HH2 ARG 30 -3.080 -19.155 0.011 231 2HH1 ARG 30 1HH2 ARG 30 -2.729 -20.849 -0.128 232 1HH2 ARG 30 2HH1 ARG 30 0.692 -20.297 -0.986 233 2HH2 ARG 30 1HH1 ARG 30 -0.513 -21.509 -0.701 234 H GLY 31 H GLY 31 -2.888 -12.808 -3.000 235 1HA GLY 31 2HA GLY 31 -4.813 -11.608 -3.246 236 2HA GLY 31 1HA GLY 31 -4.701 -10.940 -1.615 237 H ILE 32 H ILE 32 -1.686 -10.065 -2.334 238 HA ILE 32 HA ILE 32 -2.540 -7.657 -3.711 239 HB ILE 32 HB ILE 32 -0.465 -8.274 -1.985 240 1HG1 ILE 32 2HG1 ILE 32 -1.749 -6.171 -2.299 241 2HG1 ILE 32 3HG1 ILE 32 -0.013 -5.935 -2.084 242 1HG2 ILE 32 1HG2 ILE 32 1.087 -9.100 -3.552 243 2HG2 ILE 32 2HG2 ILE 32 0.783 -7.775 -4.704 244 3HG2 ILE 32 3HG2 ILE 32 1.524 -7.423 -3.151 245 1HD1 ILE 32 1HD1 ILE 32 -0.912 -4.490 -3.922 246 2HD1 ILE 32 2HD1 ILE 32 0.323 -5.610 -4.471 247 3HD1 ILE 32 3HD1 ILE 32 -1.398 -5.935 -4.799 248 H LEU 33 H LEU 33 -2.857 -7.546 -5.812 249 HA LEU 33 HA LEU 33 -1.607 -9.437 -7.680 250 1HB LEU 33 2HB LEU 33 -3.291 -6.974 -8.231 251 2HB LEU 33 3HB LEU 33 -2.898 -8.289 -9.350 252 HG LEU 33 HG LEU 33 -4.591 -8.519 -6.837 253 1HD1 LEU 33 1HD1 LEU 33 -6.466 -8.809 -8.390 254 2HD1 LEU 33 2HD1 LEU 33 -5.688 -7.235 -8.623 255 3HD1 LEU 33 3HD1 LEU 33 -5.385 -8.558 -9.776 256 1HD2 LEU 33 1HD2 LEU 33 -3.494 -10.666 -7.262 257 2HD2 LEU 33 2HD2 LEU 33 -5.181 -10.782 -7.768 258 3HD2 LEU 33 3HD2 LEU 33 -3.913 -10.577 -8.992 259 H TYR 34 H TYR 34 -1.452 -5.828 -6.964 260 HA TYR 34 HA TYR 34 1.357 -5.939 -7.342 261 1HB TYR 34 2HB TYR 34 0.697 -5.824 -9.755 262 2HB TYR 34 3HB TYR 34 -0.259 -4.382 -9.410 263 HD1 TYR 34 HD1 TYR 34 0.781 -2.400 -10.126 264 HD2 TYR 34 HD2 TYR 34 3.230 -5.630 -8.683 265 HE1 TYR 34 HE1 TYR 34 2.818 -1.013 -10.461 266 HE2 TYR 34 HE2 TYR 34 5.241 -4.160 -8.804 267 HH TYR 34 HH TYR 34 5.694 -1.529 -8.789 268 H CYS 35 H CYS 35 2.327 -3.974 -6.528 269 HA CYS 35 HA CYS 35 0.468 -1.945 -5.382 270 1HB CYS 35 2HB CYS 35 1.418 -3.143 -3.434 271 2HB CYS 35 3HB CYS 35 3.028 -3.116 -4.180 272 HG CYS 35 HG CYS 35 2.978 -1.470 -2.218 273 H SER 36 H SER 36 1.238 0.193 -5.863 274 HA SER 36 HA SER 36 4.024 0.330 -6.076 275 1HB SER 36 2HB SER 36 3.698 0.010 -8.486 276 2HB SER 36 3HB SER 36 2.622 1.423 -8.551 277 HG SER 36 HG SER 36 5.337 1.425 -7.653 278 H VAL 37 H VAL 37 4.897 2.363 -5.712 279 HA VAL 37 HA VAL 37 2.923 4.288 -4.592 280 HB VAL 37 HB VAL 37 4.056 4.299 -2.491 281 1HG1 VAL 37 1HG1 VAL 37 4.116 1.347 -3.115 282 2HG1 VAL 37 2HG1 VAL 37 3.674 2.190 -1.627 283 3HG1 VAL 37 3HG1 VAL 37 2.580 2.218 -3.028 284 1HG2 VAL 37 1HG2 VAL 37 6.056 2.326 -3.689 285 2HG2 VAL 37 2HG2 VAL 37 6.408 4.034 -3.264 286 3HG2 VAL 37 3HG2 VAL 37 6.001 2.856 -2.006 287 H ALA 38 H ALA 38 3.312 6.384 -4.862 288 HA ALA 38 HA ALA 38 5.938 7.108 -6.157 289 1HB ALA 38 1HB ALA 38 3.228 8.303 -6.745 290 2HB ALA 38 2HB ALA 38 4.818 8.800 -7.394 291 3HB ALA 38 3HB ALA 38 4.158 7.191 -7.786 292 H LEU 39 H LEU 39 7.086 8.659 -5.368 293 HA LEU 39 HA LEU 39 6.654 9.674 -2.754 294 1HB LEU 39 2HB LEU 39 8.622 10.678 -4.857 295 2HB LEU 39 3HB LEU 39 8.672 10.953 -3.121 296 HG LEU 39 HG LEU 39 10.256 9.380 -3.472 297 1HD1 LEU 39 1HD1 LEU 39 7.902 7.607 -2.717 298 2HD1 LEU 39 2HD1 LEU 39 9.595 7.415 -2.241 299 3HD1 LEU 39 3HD1 LEU 39 8.658 8.782 -1.621 300 1HD2 LEU 39 1HD2 LEU 39 9.557 8.766 -5.822 301 2HD2 LEU 39 2HD2 LEU 39 10.329 7.525 -4.834 302 3HD2 LEU 39 3HD2 LEU 39 8.578 7.470 -5.091 303 H ALA 40 H ALA 40 6.421 11.269 -5.942 304 HA ALA 40 HA ALA 40 6.218 13.892 -5.147 305 1HB ALA 40 1HB ALA 40 5.042 14.291 -7.278 306 2HB ALA 40 2HB ALA 40 6.383 13.148 -7.489 307 3HB ALA 40 3HB ALA 40 4.708 12.552 -7.431 308 H THR 41 H THR 41 3.731 11.453 -4.887 309 HA THR 41 HA THR 41 1.746 13.426 -3.818 310 HB THR 41 HB THR 41 1.020 12.517 -5.838 311 HG1 THR 41 1HG THR 41 -0.175 11.499 -3.546 312 1HG2 THR 41 1HG2 THR 41 1.822 9.765 -4.863 313 2HG2 THR 41 2HG2 THR 41 0.749 10.051 -6.250 314 3HG2 THR 41 3HG2 THR 41 2.401 10.644 -6.290 315 H ASN 42 H ASN 42 4.002 11.388 -2.796 316 HA ASN 42 HA ASN 42 4.353 9.768 -1.243 317 1HB ASN 42 2HB ASN 42 2.614 11.603 0.427 318 2HB ASN 42 3HB ASN 42 3.787 10.432 1.042 319 1HD2 ASN 42 1HD2 ASN 42 6.202 10.891 0.704 320 2HD2 ASN 42 2HD2 ASN 42 6.614 12.537 0.315 321 H LYS 43 H LYS 43 2.491 8.777 -2.941 322 HA LYS 43 HA LYS 43 0.362 7.600 -1.214 323 1HB LYS 43 2HB LYS 43 -0.568 9.530 -2.292 324 2HB LYS 43 3HB LYS 43 -0.021 8.992 -3.879 325 1HG LYS 43 2HG LYS 43 -1.810 7.125 -2.356 326 2HG LYS 43 3HG LYS 43 -2.530 8.629 -2.884 327 1HD LYS 43 2HD LYS 43 -1.050 6.733 -4.778 328 2HD LYS 43 3HD LYS 43 -2.776 6.698 -4.467 329 1HE LYS 43 2HE LYS 43 -2.653 9.301 -5.095 330 2HE LYS 43 3HE LYS 43 -1.159 8.803 -5.889 331 1HZ LYS 43 1HZ LYS 43 -2.874 8.577 -7.491 332 2HZ LYS 43 2HZ LYS 43 -2.730 7.010 -6.940 333 3HZ LYS 43 3HZ LYS 43 -3.921 7.887 -6.417 334 H ALA 44 H ALA 44 -0.327 5.640 -1.576 335 HA ALA 44 HA ALA 44 1.188 3.947 -3.488 336 1HB ALA 44 1HB ALA 44 1.586 3.441 -1.092 337 2HB ALA 44 2HB ALA 44 -0.165 3.319 -0.826 338 3HB ALA 44 3HB ALA 44 0.656 2.147 -1.875 339 H HIS 45 H HIS 45 0.017 2.679 -4.915 340 HA HIS 45 HA HIS 45 -2.894 2.434 -4.399 341 1HB HIS 45 2HB HIS 45 -3.331 2.119 -6.613 342 2HB HIS 45 3HB HIS 45 -2.156 3.425 -6.680 343 HD1 HIS 45 1HD HIS 45 -0.389 2.978 -8.540 344 HD2 HIS 45 2HD HIS 45 -2.219 -0.459 -6.974 345 HE1 HIS 45 1HE HIS 45 0.325 1.027 -10.032 346 H ILE 46 H ILE 46 -3.509 0.366 -3.898 347 HA ILE 46 HA ILE 46 -1.492 -1.826 -4.204 348 HB ILE 46 HB ILE 46 -3.260 -1.318 -1.782 349 1HG1 ILE 46 2HG1 ILE 46 -0.728 -1.658 -0.824 350 2HG1 ILE 46 3HG1 ILE 46 -0.335 -0.954 -2.389 351 1HG2 ILE 46 1HG2 ILE 46 -1.191 -3.513 -2.036 352 2HG2 ILE 46 2HG2 ILE 46 -2.533 -3.358 -0.905 353 3HG2 ILE 46 3HG2 ILE 46 -2.850 -3.797 -2.590 354 1HD1 ILE 46 1HD1 ILE 46 -1.761 1.041 -1.757 355 2HD1 ILE 46 2HD1 ILE 46 -2.164 0.202 -0.244 356 3HD1 ILE 46 3HD1 ILE 46 -0.504 0.711 -0.540 357 H LYS 47 H LYS 47 -2.284 -3.135 -5.727 358 HA LYS 47 HA LYS 47 -5.178 -3.247 -6.259 359 1HB LYS 47 2HB LYS 47 -2.930 -4.691 -7.682 360 2HB LYS 47 3HB LYS 47 -4.604 -4.452 -8.177 361 1HG LYS 47 2HG LYS 47 -3.873 -1.851 -7.936 362 2HG LYS 47 3HG LYS 47 -2.265 -2.516 -8.167 363 1HD LYS 47 2HD LYS 47 -3.102 -3.724 -10.219 364 2HD LYS 47 3HD LYS 47 -4.701 -2.993 -9.962 365 1HE LYS 47 2HE LYS 47 -3.615 -0.707 -10.157 366 2HE LYS 47 3HE LYS 47 -2.097 -1.518 -10.583 367 1HZ LYS 47 1HZ LYS 47 -3.312 -0.829 -12.522 368 2HZ LYS 47 2HZ LYS 47 -3.212 -2.470 -12.484 369 3HZ LYS 47 3HZ LYS 47 -4.624 -1.723 -12.087 370 H TYR 48 H TYR 48 -5.329 -4.012 -3.938 371 HA TYR 48 HA TYR 48 -4.586 -6.846 -3.596 372 1HB TYR 48 2HB TYR 48 -5.270 -6.657 -1.349 373 2HB TYR 48 3HB TYR 48 -4.142 -5.406 -1.740 374 HD1 TYR 48 HD1 TYR 48 -4.861 -3.017 -1.709 375 HD2 TYR 48 HD2 TYR 48 -7.684 -6.165 -0.895 376 HE1 TYR 48 HE1 TYR 48 -6.295 -1.413 -0.496 377 HE2 TYR 48 HE2 TYR 48 -9.136 -4.561 0.277 378 HH TYR 48 HH TYR 48 -9.448 -2.344 0.867 379 H ASP 49 H ASP 49 -5.985 -8.485 -3.617 380 HA ASP 49 HA ASP 49 -8.515 -8.428 -4.839 381 1HB ASP 49 2HB ASP 49 -7.255 -10.419 -2.906 382 2HB ASP 49 3HB ASP 49 -8.776 -10.708 -3.757 383 HA PRO 50 HA PRO 50 -10.215 -6.433 -1.150 384 1HB PRO 50 2HB PRO 50 -12.392 -5.216 -2.180 385 2HB PRO 50 3HB PRO 50 -10.752 -4.791 -2.743 386 1HG PRO 50 2HG PRO 50 -12.670 -6.751 -4.054 387 2HG PRO 50 3HG PRO 50 -11.846 -5.360 -4.821 388 1HD PRO 50 2HD PRO 50 -10.843 -7.908 -4.914 389 2HD PRO 50 3HD PRO 50 -9.787 -6.473 -4.831 390 H GLU 51 H GLU 51 -10.415 -8.936 -0.710 391 HA GLU 51 HA GLU 51 -13.114 -9.578 0.181 392 1HB GLU 51 2HB GLU 51 -13.299 -11.621 -1.290 393 2HB GLU 51 3HB GLU 51 -13.506 -10.064 -2.084 394 1HG GLU 51 2HG GLU 51 -11.009 -10.275 -2.805 395 2HG GLU 51 3HG GLU 51 -11.180 -11.982 -2.363 396 H ILE 52 H ILE 52 -10.069 -11.222 -0.777 397 HA ILE 52 HA ILE 52 -10.125 -12.801 1.709 398 HB ILE 52 HB ILE 52 -8.024 -13.766 0.853 399 1HG1 ILE 52 2HG1 ILE 52 -8.575 -12.251 -1.734 400 2HG1 ILE 52 3HG1 ILE 52 -7.314 -11.820 -0.566 401 1HG2 ILE 52 1HG2 ILE 52 -9.158 -15.155 -0.818 402 2HG2 ILE 52 2HG2 ILE 52 -10.293 -14.739 0.464 403 3HG2 ILE 52 3HG2 ILE 52 -10.372 -13.891 -1.092 404 1HD1 ILE 52 1HD1 ILE 52 -6.342 -13.106 -2.354 405 2HD1 ILE 52 2HD1 ILE 52 -6.271 -14.047 -0.852 406 3HD1 ILE 52 3HD1 ILE 52 -7.476 -14.433 -2.108 407 H ILE 53 H ILE 53 -8.587 -9.879 0.584 408 HA ILE 53 HA ILE 53 -7.242 -9.534 3.220 409 HB ILE 53 HB ILE 53 -5.558 -10.237 1.549 410 1HG1 ILE 53 2HG1 ILE 53 -4.190 -8.007 1.460 411 2HG1 ILE 53 3HG1 ILE 53 -5.461 -7.353 2.482 412 1HG2 ILE 53 1HG2 ILE 53 -6.532 -7.926 -0.125 413 2HG2 ILE 53 2HG2 ILE 53 -5.062 -8.867 -0.438 414 3HG2 ILE 53 3HG2 ILE 53 -6.639 -9.641 -0.534 415 1HD1 ILE 53 1HD1 ILE 53 -5.015 -9.219 4.111 416 2HD1 ILE 53 2HD1 ILE 53 -3.762 -9.844 3.015 417 3HD1 ILE 53 3HD1 ILE 53 -3.551 -8.258 3.773 418 H GLY 54 H GLY 54 -7.587 -7.409 4.081 419 1HA GLY 54 2HA GLY 54 -9.501 -5.757 2.503 420 2HA GLY 54 1HA GLY 54 -9.472 -6.035 4.249 421 HA PRO 55 HA PRO 55 -7.158 -2.077 3.052 422 1HB PRO 55 2HB PRO 55 -8.783 -0.385 4.556 423 2HB PRO 55 3HB PRO 55 -8.999 -0.704 2.817 424 1HG PRO 55 2HG PRO 55 -10.439 -1.953 5.156 425 2HG PRO 55 3HG PRO 55 -11.127 -1.414 3.599 426 1HD PRO 55 2HD PRO 55 -10.580 -4.029 4.116 427 2HD PRO 55 3HD PRO 55 -10.324 -3.356 2.485 428 H ARG 56 H ARG 56 -8.724 -3.220 6.071 429 HA ARG 56 HA ARG 56 -6.941 -1.913 7.871 430 1HB ARG 56 2HB ARG 56 -8.587 -4.448 8.220 431 2HB ARG 56 3HB ARG 56 -7.714 -3.597 9.512 432 1HG ARG 56 2HG ARG 56 -8.976 -1.507 8.976 433 2HG ARG 56 3HG ARG 56 -9.935 -2.405 7.783 434 1HD ARG 56 2HD ARG 56 -10.755 -3.904 9.563 435 2HD ARG 56 3HD ARG 56 -9.769 -3.015 10.758 436 HE ARG 56 HE ARG 56 -11.393 -1.149 9.374 437 1HH1 ARG 56 2HH2 ARG 56 -11.737 -3.779 11.677 438 2HH1 ARG 56 1HH2 ARG 56 -13.168 -3.160 12.446 439 1HH2 ARG 56 2HH1 ARG 56 -13.293 -0.267 10.353 440 2HH2 ARG 56 1HH1 ARG 56 -14.073 -1.095 11.659 441 H ASP 57 H ASP 57 -6.793 -5.256 6.378 442 HA ASP 57 HA ASP 57 -4.449 -6.048 7.669 443 1HB ASP 57 2HB ASP 57 -5.145 -6.683 4.784 444 2HB ASP 57 3HB ASP 57 -4.264 -7.681 5.958 445 H ILE 58 H ILE 58 -4.874 -4.362 4.507 446 HA ILE 58 HA ILE 58 -2.123 -4.001 3.930 447 HB ILE 58 HB ILE 58 -4.626 -2.421 3.212 448 1HG1 ILE 58 2HG1 ILE 58 -4.568 -4.680 2.295 449 2HG1 ILE 58 3HG1 ILE 58 -4.336 -3.480 1.031 450 1HG2 ILE 58 1HG2 ILE 58 -3.260 -1.399 1.363 451 2HG2 ILE 58 2HG2 ILE 58 -2.941 -0.778 2.984 452 3HG2 ILE 58 3HG2 ILE 58 -1.799 -1.908 2.239 453 1HD1 ILE 58 1HD1 ILE 58 -2.283 -5.339 2.273 454 2HD1 ILE 58 2HD1 ILE 58 -2.771 -5.196 0.583 455 3HD1 ILE 58 3HD1 ILE 58 -1.792 -3.913 1.337 456 H ILE 59 H ILE 59 -4.303 -1.827 5.725 457 HA ILE 59 HA ILE 59 -2.429 0.186 6.246 458 HB ILE 59 HB ILE 59 -4.911 -0.795 7.610 459 1HG1 ILE 59 2HG1 ILE 59 -4.252 1.959 6.517 460 2HG1 ILE 59 3HG1 ILE 59 -4.758 0.632 5.460 461 1HG2 ILE 59 1HG2 ILE 59 -3.167 1.431 8.733 462 2HG2 ILE 59 2HG2 ILE 59 -4.833 1.092 9.218 463 3HG2 ILE 59 3HG2 ILE 59 -3.581 -0.093 9.533 464 1HD1 ILE 59 1HD1 ILE 59 -6.390 1.750 7.769 465 2HD1 ILE 59 2HD1 ILE 59 -6.694 1.946 6.034 466 3HD1 ILE 59 3HD1 ILE 59 -6.827 0.339 6.779 467 H HIS 60 H HIS 60 -3.190 -2.734 8.240 468 HA HIS 60 HA HIS 60 -1.222 -2.031 10.211 469 1HB HIS 60 2HB HIS 60 -2.630 -4.659 9.679 470 2HB HIS 60 3HB HIS 60 -1.655 -4.286 11.113 471 HD1 HIS 60 1HD HIS 60 -2.721 -1.312 11.673 472 HD2 HIS 60 2HD HIS 60 -5.090 -4.658 10.653 473 HE1 HIS 60 1HE HIS 60 -5.098 -0.800 12.438 474 H THR 61 H THR 61 -1.103 -3.961 7.302 475 HA THR 61 HA THR 61 1.516 -5.073 7.657 476 HB THR 61 HB THR 61 -0.019 -4.258 5.165 477 HG1 THR 61 1HG THR 61 -1.031 -5.833 6.350 478 1HG2 THR 61 1HG2 THR 61 2.419 -6.091 5.453 479 2HG2 THR 61 2HG2 THR 61 1.441 -5.918 3.987 480 3HG2 THR 61 3HG2 THR 61 2.390 -4.540 4.578 481 H ILE 62 H ILE 62 0.482 -2.007 5.970 482 HA ILE 62 HA ILE 62 3.213 -1.240 5.530 483 HB ILE 62 HB ILE 62 0.631 0.298 5.325 484 1HG1 ILE 62 2HG1 ILE 62 2.467 -0.798 3.164 485 2HG1 ILE 62 3HG1 ILE 62 1.072 -1.689 3.781 486 1HG2 ILE 62 1HG2 ILE 62 2.531 1.881 5.692 487 2HG2 ILE 62 2HG2 ILE 62 3.427 1.088 4.382 488 3HG2 ILE 62 3HG2 ILE 62 1.938 1.987 4.044 489 1HD1 ILE 62 1HD1 ILE 62 0.401 -0.606 1.765 490 2HD1 ILE 62 2HD1 ILE 62 -0.416 0.190 3.126 491 3HD1 ILE 62 3HD1 ILE 62 0.966 0.973 2.324 492 H GLU 63 H GLU 63 0.932 -0.479 8.182 493 HA GLU 63 HA GLU 63 2.554 1.319 9.657 494 1HB GLU 63 2HB GLU 63 0.649 -0.868 10.555 495 2HB GLU 63 3HB GLU 63 1.414 0.267 11.664 496 1HG GLU 63 2HG GLU 63 0.367 2.169 10.625 497 2HG GLU 63 3HG GLU 63 -0.299 1.187 9.323 498 H SER 64 H SER 64 2.505 -2.304 9.687 499 HA SER 64 HA SER 64 4.710 -2.596 11.438 500 1HB SER 64 2HB SER 64 3.908 -4.503 9.201 501 2HB SER 64 3HB SER 64 4.904 -4.858 10.616 502 HG SER 64 HG SER 64 2.171 -4.059 10.622 503 H LEU 65 H LEU 65 4.668 -2.139 7.876 504 HA LEU 65 HA LEU 65 7.549 -2.377 7.601 505 1HB LEU 65 2HB LEU 65 5.645 -0.822 5.817 506 2HB LEU 65 3HB LEU 65 7.282 -1.346 5.424 507 HG LEU 65 HG LEU 65 4.885 -3.139 5.883 508 1HD1 LEU 65 1HD1 LEU 65 5.176 -3.677 3.505 509 2HD1 LEU 65 2HD1 LEU 65 4.866 -1.946 3.740 510 3HD1 LEU 65 3HD1 LEU 65 6.514 -2.515 3.403 511 1HD2 LEU 65 1HD2 LEU 65 6.369 -4.996 5.155 512 2HD2 LEU 65 2HD2 LEU 65 7.761 -3.894 5.210 513 3HD2 LEU 65 3HD2 LEU 65 6.881 -4.320 6.698 514 H GLY 66 H GLY 66 5.713 0.077 9.147 515 1HA GLY 66 2HA GLY 66 6.486 1.946 10.191 516 2HA GLY 66 1HA GLY 66 8.112 1.638 9.569 517 H PHE 67 H PHE 67 4.871 2.347 8.160 518 HA PHE 67 HA PHE 67 5.704 5.095 7.641 519 1HB PHE 67 2HB PHE 67 4.217 3.480 5.530 520 2HB PHE 67 3HB PHE 67 4.681 5.169 5.438 521 HD1 PHE 67 1HD PHE 67 7.230 5.721 5.442 522 HD2 PHE 67 2HD PHE 67 5.691 1.750 4.796 523 HE1 PHE 67 1HE PHE 67 9.206 5.186 4.049 524 HE2 PHE 67 2HE PHE 67 7.625 1.243 3.336 525 HZ PHE 67 HZ PHE 67 9.282 3.012 2.824 526 H GLU 68 H GLU 68 3.466 6.377 7.198 527 HA GLU 68 HA GLU 68 1.320 5.073 8.810 528 1HB GLU 68 2HB GLU 68 1.947 7.931 8.067 529 2HB GLU 68 3HB GLU 68 0.400 7.368 8.699 530 1HG GLU 68 2HG GLU 68 1.623 6.466 10.726 531 2HG GLU 68 3HG GLU 68 3.088 7.264 10.114 532 HA PRO 69 HA PRO 69 -0.565 4.913 4.576 533 1HB PRO 69 2HB PRO 69 -2.294 2.881 5.039 534 2HB PRO 69 3HB PRO 69 -0.578 2.595 4.607 535 1HG PRO 69 2HG PRO 69 -1.862 2.507 7.316 536 2HG PRO 69 3HG PRO 69 -0.662 1.389 6.618 537 1HD PRO 69 2HD PRO 69 -0.083 3.475 8.356 538 2HD PRO 69 3HD PRO 69 1.096 2.814 7.191 539 H SER 70 H SER 70 -2.461 6.100 4.183 540 HA SER 70 HA SER 70 -4.538 6.334 6.283 541 1HB SER 70 2HB SER 70 -2.989 8.663 5.069 542 2HB SER 70 3HB SER 70 -4.461 8.816 6.050 543 HG SER 70 HG SER 70 -2.599 7.227 7.242 544 H LEU 71 H LEU 71 -6.292 5.681 5.153 545 HA LEU 71 HA LEU 71 -6.496 5.721 2.297 546 1HB LEU 71 2HB LEU 71 -8.504 5.452 4.539 547 2HB LEU 71 3HB LEU 71 -8.983 5.387 2.839 548 HG LEU 71 HG LEU 71 -6.845 3.516 3.901 549 1HD1 LEU 71 1HD1 LEU 71 -9.863 3.072 3.851 550 2HD1 LEU 71 2HD1 LEU 71 -8.631 1.852 4.234 551 3HD1 LEU 71 3HD1 LEU 71 -8.865 3.242 5.309 552 1HD2 LEU 71 1HD2 LEU 71 -7.608 2.126 1.997 553 2HD2 LEU 71 2HD2 LEU 71 -8.849 3.326 1.593 554 3HD2 LEU 71 3HD2 LEU 71 -7.135 3.725 1.401 555 H VAL 72 H VAL 72 -7.367 7.099 0.991 556 HA VAL 72 HA VAL 72 -8.731 9.574 1.959 557 HB VAL 72 HB VAL 72 -6.551 9.464 -0.169 558 1HG1 VAL 72 1HG1 VAL 72 -8.357 11.774 0.675 559 2HG1 VAL 72 2HG1 VAL 72 -6.903 11.935 -0.330 560 3HG1 VAL 72 3HG1 VAL 72 -8.285 11.023 -0.935 561 1HG2 VAL 72 1HG2 VAL 72 -6.763 10.865 2.540 562 2HG2 VAL 72 2HG2 VAL 72 -5.643 9.556 2.114 563 3HG2 VAL 72 3HG2 VAL 72 -5.471 11.148 1.363 564 H LYS 73 H LYS 73 -8.388 7.119 -0.647 565 HA LYS 73 HA LYS 73 -10.440 8.282 -2.269 566 1HB LYS 73 2HB LYS 73 -8.487 6.870 -3.026 567 2HB LYS 73 3HB LYS 73 -9.242 5.484 -2.250 568 1HG LYS 73 2HG LYS 73 -9.686 5.364 -4.579 569 2HG LYS 73 3HG LYS 73 -11.222 5.766 -3.807 570 1HD LYS 73 2HD LYS 73 -10.928 8.150 -4.439 571 2HD LYS 73 3HD LYS 73 -9.320 7.780 -5.105 572 1HE LYS 73 2HE LYS 73 -10.382 6.252 -6.772 573 2HE LYS 73 3HE LYS 73 -11.978 6.628 -6.100 574 1HZ LYS 73 1HZ LYS 73 -11.508 7.919 -8.052 575 2HZ LYS 73 2HZ LYS 73 -11.637 8.918 -6.754 576 3HZ LYS 73 3HZ LYS 73 -10.154 8.561 -7.378 577 H ILE 74 H ILE 74 -11.797 8.493 -0.227 578 HA ILE 74 HA ILE 74 -13.726 8.153 0.757 579 HB ILE 74 HB ILE 74 -14.081 6.421 -1.446 580 1HG1 ILE 74 2HG1 ILE 74 -15.480 8.290 -0.938 581 2HG1 ILE 74 3HG1 ILE 74 -16.402 6.809 -1.194 582 1HG2 ILE 74 1HG2 ILE 74 -13.826 4.431 -0.089 583 2HG2 ILE 74 2HG2 ILE 74 -15.061 4.998 1.050 584 3HG2 ILE 74 3HG2 ILE 74 -15.499 4.622 -0.624 585 1HD1 ILE 74 1HD1 ILE 74 -15.846 8.142 1.486 586 2HD1 ILE 74 2HD1 ILE 74 -17.382 8.069 0.623 587 3HD1 ILE 74 3HD1 ILE 74 -16.689 6.587 1.294 588 H GLU 75 H GLU 75 -14.114 7.561 2.883 589 HA GLU 75 HA GLU 75 -13.110 7.342 4.846 590 1HB GLU 75 2HB GLU 75 -13.456 4.411 4.191 591 2HB GLU 75 3HB GLU 75 -13.635 5.224 5.753 592 1HG GLU 75 2HG GLU 75 -15.484 5.403 3.335 593 2HG GLU 75 3HG GLU 75 -15.861 4.791 4.944 Start of MODEL 19 1 1H MET 1 H1 MET 1 -14.282 -12.001 -9.534 2 2H MET 1 H2 MET 1 -13.535 -13.193 -10.448 3 3H MET 1 H3 MET 1 -13.607 -13.288 -8.788 4 HA MET 1 HA MET 1 -11.484 -12.512 -9.114 5 1HB MET 1 2HB MET 1 -10.979 -10.670 -10.618 6 2HB MET 1 3HB MET 1 -11.734 -11.971 -11.529 7 1HG MET 1 2HG MET 1 -13.874 -10.753 -11.557 8 2HG MET 1 3HG MET 1 -13.191 -9.447 -10.589 9 1HE MET 1 1HE MET 1 -10.369 -8.800 -11.821 10 2HE MET 1 2HE MET 1 -10.870 -7.571 -13.001 11 3HE MET 1 3HE MET 1 -11.618 -7.607 -11.389 12 H GLY 2 H GLY 2 -10.657 -10.740 -7.688 13 1HA GLY 2 2HA GLY 2 -12.649 -8.640 -6.958 14 2HA GLY 2 1HA GLY 2 -11.202 -9.144 -6.063 15 H ASP 3 H ASP 3 -11.153 -6.617 -6.531 16 HA ASP 3 HA ASP 3 -8.776 -6.040 -7.661 17 1HB ASP 3 2HB ASP 3 -9.828 -6.316 -9.948 18 2HB ASP 3 3HB ASP 3 -10.987 -5.048 -9.526 19 H GLY 4 H GLY 4 -9.457 -3.161 -8.159 20 1HA GLY 4 2HA GLY 4 -10.965 -1.786 -6.501 21 2HA GLY 4 1HA GLY 4 -9.801 -2.456 -5.326 22 H VAL 5 H VAL 5 -9.942 0.293 -5.865 23 HA VAL 5 HA VAL 5 -7.217 0.801 -6.959 24 HB VAL 5 HB VAL 5 -8.092 2.893 -8.043 25 1HG1 VAL 5 1HG1 VAL 5 -9.175 0.293 -9.199 26 2HG1 VAL 5 2HG1 VAL 5 -8.823 1.790 -10.091 27 3HG1 VAL 5 3HG1 VAL 5 -7.506 0.891 -9.316 28 1HG2 VAL 5 1HG2 VAL 5 -10.430 3.096 -8.656 29 2HG2 VAL 5 2HG2 VAL 5 -10.840 1.578 -7.845 30 3HG2 VAL 5 3HG2 VAL 5 -10.333 2.987 -6.895 31 H LEU 6 H LEU 6 -7.562 0.369 -4.427 32 HA LEU 6 HA LEU 6 -8.128 2.859 -3.004 33 1HB LEU 6 2HB LEU 6 -7.147 0.153 -2.274 34 2HB LEU 6 3HB LEU 6 -6.866 1.464 -1.134 35 HG LEU 6 HG LEU 6 -9.653 1.082 -2.259 36 1HD1 LEU 6 1HD1 LEU 6 -8.446 -0.337 0.140 37 2HD1 LEU 6 2HD1 LEU 6 -10.188 -0.250 -0.219 38 3HD1 LEU 6 3HD1 LEU 6 -9.110 -1.093 -1.340 39 1HD2 LEU 6 1HD2 LEU 6 -9.059 3.175 -0.973 40 2HD2 LEU 6 2HD2 LEU 6 -10.257 2.173 -0.127 41 3HD2 LEU 6 3HD2 LEU 6 -8.564 2.166 0.394 42 H GLU 7 H GLU 7 -6.919 4.416 -3.385 43 HA GLU 7 HA GLU 7 -3.942 4.264 -3.431 44 1HB GLU 7 2HB GLU 7 -5.740 6.647 -3.936 45 2HB GLU 7 3HB GLU 7 -3.977 6.584 -4.025 46 1HG GLU 7 2HG GLU 7 -4.373 4.619 -5.704 47 2HG GLU 7 3HG GLU 7 -6.004 5.274 -5.882 48 H LEU 8 H LEU 8 -3.790 3.585 -1.235 49 HA LEU 8 HA LEU 8 -4.941 5.393 0.828 50 1HB LEU 8 2HB LEU 8 -3.585 3.983 2.435 51 2HB LEU 8 3HB LEU 8 -5.014 3.271 1.726 52 HG LEU 8 HG LEU 8 -2.471 2.771 0.251 53 1HD1 LEU 8 1HD1 LEU 8 -1.719 2.569 2.582 54 2HD1 LEU 8 2HD1 LEU 8 -3.052 1.437 2.921 55 3HD1 LEU 8 3HD1 LEU 8 -1.761 0.996 1.780 56 1HD2 LEU 8 1HD2 LEU 8 -3.510 0.492 0.077 57 2HD2 LEU 8 2HD2 LEU 8 -4.830 1.025 1.121 58 3HD2 LEU 8 3HD2 LEU 8 -4.610 1.755 -0.482 59 H VAL 9 H VAL 9 -3.877 7.054 1.635 60 HA VAL 9 HA VAL 9 -1.419 7.901 0.351 61 HB VAL 9 HB VAL 9 -3.003 9.256 2.567 62 1HG1 VAL 9 1HG1 VAL 9 -1.092 10.414 0.486 63 2HG1 VAL 9 2HG1 VAL 9 -1.888 11.287 1.806 64 3HG1 VAL 9 3HG1 VAL 9 -0.639 10.084 2.174 65 1HG2 VAL 9 1HG2 VAL 9 -4.483 8.917 0.627 66 2HG2 VAL 9 2HG2 VAL 9 -3.979 10.612 0.696 67 3HG2 VAL 9 3HG2 VAL 9 -3.219 9.511 -0.468 68 H VAL 10 H VAL 10 0.521 7.407 1.171 69 HA VAL 10 HA VAL 10 0.838 6.112 3.820 70 HB VAL 10 HB VAL 10 2.816 5.094 2.596 71 1HG1 VAL 10 1HG1 VAL 10 0.013 4.325 1.654 72 2HG1 VAL 10 2HG1 VAL 10 1.431 3.262 1.769 73 3HG1 VAL 10 3HG1 VAL 10 0.679 3.914 3.233 74 1HG2 VAL 10 1HG2 VAL 10 1.144 5.724 0.137 75 2HG2 VAL 10 2HG2 VAL 10 2.629 6.595 0.527 76 3HG2 VAL 10 3HG2 VAL 10 2.677 4.852 0.196 77 H ARG 11 H ARG 11 1.185 8.096 4.946 78 HA ARG 11 HA ARG 11 3.168 9.999 3.856 79 1HB ARG 11 2HB ARG 11 1.832 10.020 6.590 80 2HB ARG 11 3HB ARG 11 2.909 11.227 5.927 81 1HG ARG 11 2HG ARG 11 0.971 12.261 5.435 82 2HG ARG 11 3HG ARG 11 1.216 11.376 3.929 83 1HD ARG 11 2HD ARG 11 -1.073 11.251 4.619 84 2HD ARG 11 3HD ARG 11 -0.389 9.621 4.763 85 HE ARG 11 HE ARG 11 -0.032 10.517 7.319 86 1HH1 ARG 11 2HH2 ARG 11 -2.914 10.768 5.295 87 2HH1 ARG 11 1HH2 ARG 11 -3.966 10.073 6.486 88 1HH2 ARG 11 2HH1 ARG 11 -1.305 10.099 8.918 89 2HH2 ARG 11 1HH1 ARG 11 -3.068 10.010 8.811 90 H GLY 12 H GLY 12 5.260 10.234 4.504 91 1HA GLY 12 2HA GLY 12 6.871 10.020 6.336 92 2HA GLY 12 1HA GLY 12 6.362 8.351 6.573 93 H MET 13 H MET 13 6.176 8.241 3.357 94 HA MET 13 HA MET 13 8.754 7.123 2.959 95 1HB MET 13 2HB MET 13 6.875 8.305 0.884 96 2HB MET 13 3HB MET 13 8.185 7.150 0.615 97 1HG MET 13 2HG MET 13 6.973 5.378 1.644 98 2HG MET 13 3HG MET 13 5.803 6.464 2.386 99 1HE MET 13 1HE MET 13 7.218 5.214 -1.002 100 2HE MET 13 2HE MET 13 6.028 5.863 -2.166 101 3HE MET 13 3HE MET 13 7.060 6.971 -1.253 102 H THR 14 H THR 14 10.503 7.958 1.808 103 HA THR 14 HA THR 14 10.584 10.855 1.166 104 HB THR 14 HB THR 14 11.328 10.674 3.449 105 HG1 THR 14 1HG THR 14 13.325 11.677 3.145 106 1HG2 THR 14 1HG2 THR 14 12.167 8.352 3.527 107 2HG2 THR 14 2HG2 THR 14 13.531 8.801 2.474 108 3HG2 THR 14 3HG2 THR 14 13.382 9.499 4.093 109 H CYS 15 H CYS 15 12.115 7.591 0.714 110 HA CYS 15 HA CYS 15 13.269 8.597 -1.828 111 1HB CYS 15 2HB CYS 15 15.473 7.885 -1.169 112 2HB CYS 15 3HB CYS 15 14.859 8.956 0.084 113 H ALA 16 H ALA 16 14.443 6.764 -2.905 114 HA ALA 16 HA ALA 16 12.788 4.820 -3.866 115 1HB ALA 16 1HB ALA 16 14.936 5.444 -4.867 116 2HB ALA 16 2HB ALA 16 15.808 4.643 -3.539 117 3HB ALA 16 3HB ALA 16 14.819 3.686 -4.662 118 H SER 17 H SER 17 14.928 4.497 -0.991 119 HA SER 17 HA SER 17 14.652 1.815 -0.440 120 1HB SER 17 2HB SER 17 14.576 4.036 1.621 121 2HB SER 17 3HB SER 17 15.220 2.395 1.810 122 HG SER 17 HG SER 17 16.567 4.479 1.053 123 H CYS 18 H CYS 18 12.399 4.494 0.355 124 HA CYS 18 HA CYS 18 10.622 2.872 1.958 125 1HB CYS 18 2HB CYS 18 10.181 5.563 0.607 126 2HB CYS 18 3HB CYS 18 9.221 4.841 1.898 127 H VAL 19 H VAL 19 10.826 3.955 -1.401 128 HA VAL 19 HA VAL 19 8.262 3.173 -2.303 129 HB VAL 19 HB VAL 19 10.869 3.115 -3.893 130 1HG1 VAL 19 1HG1 VAL 19 8.856 2.053 -5.016 131 2HG1 VAL 19 2HG1 VAL 19 8.073 3.648 -4.927 132 3HG1 VAL 19 3HG1 VAL 19 9.561 3.442 -5.853 133 1HG2 VAL 19 1HG2 VAL 19 10.269 5.424 -4.554 134 2HG2 VAL 19 2HG2 VAL 19 8.972 5.410 -3.328 135 3HG2 VAL 19 3HG2 VAL 19 10.675 5.264 -2.846 136 H HIS 20 H HIS 20 11.428 1.433 -2.608 137 HA HIS 20 HA HIS 20 10.106 -0.902 -3.527 138 1HB HIS 20 2HB HIS 20 12.240 -1.913 -3.574 139 2HB HIS 20 3HB HIS 20 12.255 -0.302 -4.280 140 HD1 HIS 20 1HD HIS 20 14.806 0.093 -4.050 141 HD2 HIS 20 2HD HIS 20 12.918 -1.144 -0.516 142 HE1 HIS 20 1HE HIS 20 16.607 0.024 -2.242 143 H LYS 21 H LYS 21 10.954 0.161 -0.240 144 HA LYS 21 HA LYS 21 10.560 -2.326 1.092 145 1HB LYS 21 2HB LYS 21 9.983 0.550 1.876 146 2HB LYS 21 3HB LYS 21 9.631 -0.783 2.961 147 1HG LYS 21 2HG LYS 21 12.401 -0.676 1.795 148 2HG LYS 21 3HG LYS 21 11.951 0.559 2.980 149 1HD LYS 21 2HD LYS 21 11.278 -1.191 4.586 150 2HD LYS 21 3HD LYS 21 11.738 -2.452 3.414 151 1HE LYS 21 2HE LYS 21 14.082 -1.641 3.443 152 2HE LYS 21 3HE LYS 21 13.633 -0.310 4.523 153 1HZ LYS 21 1HZ LYS 21 13.072 -1.919 6.201 154 2HZ LYS 21 2HZ LYS 21 13.485 -3.169 5.209 155 3HZ LYS 21 3HZ LYS 21 14.631 -2.106 5.720 156 H ILE 22 H ILE 22 8.183 0.288 0.293 157 HA ILE 22 HA ILE 22 5.907 -1.191 1.158 158 HB ILE 22 HB ILE 22 6.171 1.049 -0.882 159 1HG1 ILE 22 2HG1 ILE 22 5.065 0.895 1.933 160 2HG1 ILE 22 3HG1 ILE 22 6.723 1.403 1.523 161 1HG2 ILE 22 1HG2 ILE 22 3.687 -0.347 0.230 162 2HG2 ILE 22 2HG2 ILE 22 3.631 1.226 -0.569 163 3HG2 ILE 22 3HG2 ILE 22 4.141 -0.191 -1.479 164 1HD1 ILE 22 1HD1 ILE 22 5.899 3.326 0.340 165 2HD1 ILE 22 2HD1 ILE 22 4.212 2.920 0.818 166 3HD1 ILE 22 3HD1 ILE 22 5.415 3.331 2.039 167 H GLU 23 H GLU 23 7.175 -0.801 -2.213 168 HA GLU 23 HA GLU 23 5.174 -2.483 -3.220 169 1HB GLU 23 2HB GLU 23 7.868 -1.757 -4.427 170 2HB GLU 23 3HB GLU 23 6.553 -2.569 -5.298 171 1HG GLU 23 2HG GLU 23 5.000 -0.699 -4.652 172 2HG GLU 23 3HG GLU 23 6.366 0.148 -3.916 173 H SER 24 H SER 24 8.501 -3.446 -2.226 174 HA SER 24 HA SER 24 8.218 -6.181 -3.000 175 1HB SER 24 2HB SER 24 9.862 -5.070 -0.690 176 2HB SER 24 3HB SER 24 10.076 -6.625 -1.520 177 HG SER 24 HG SER 24 10.458 -4.008 -2.527 178 H SER 25 H SER 25 7.505 -4.474 0.092 179 HA SER 25 HA SER 25 6.786 -6.794 1.573 180 1HB SER 25 2HB SER 25 7.332 -4.520 2.467 181 2HB SER 25 3HB SER 25 5.750 -3.956 1.890 182 HG SER 25 HG SER 25 5.653 -4.608 4.078 183 H LEU 26 H LEU 26 4.886 -4.583 -0.493 184 HA LEU 26 HA LEU 26 2.367 -5.876 0.004 185 1HB LEU 26 2HB LEU 26 3.377 -3.764 -1.869 186 2HB LEU 26 3HB LEU 26 1.860 -4.562 -2.257 187 HG LEU 26 HG LEU 26 1.706 -2.443 -0.934 188 1HD1 LEU 26 1HD1 LEU 26 -0.206 -3.910 -1.150 189 2HD1 LEU 26 2HD1 LEU 26 0.355 -4.949 0.175 190 3HD1 LEU 26 3HD1 LEU 26 -0.159 -3.292 0.500 191 1HD2 LEU 26 1HD2 LEU 26 1.857 -2.539 1.515 192 2HD2 LEU 26 2HD2 LEU 26 2.539 -4.160 1.456 193 3HD2 LEU 26 3HD2 LEU 26 3.443 -2.786 0.787 194 H THR 27 H THR 27 4.697 -6.208 -2.775 195 HA THR 27 HA THR 27 3.039 -8.047 -4.165 196 HB THR 27 HB THR 27 5.183 -8.873 -5.191 197 HG1 THR 27 1HG THR 27 6.997 -7.483 -4.666 198 1HG2 THR 27 1HG2 THR 27 3.877 -7.040 -6.187 199 2HG2 THR 27 2HG2 THR 27 4.689 -5.860 -5.145 200 3HG2 THR 27 3HG2 THR 27 5.612 -6.739 -6.377 201 H LYS 28 H LYS 28 5.208 -8.594 -1.394 202 HA LYS 28 HA LYS 28 5.075 -11.399 -1.314 203 1HB LYS 28 2HB LYS 28 6.461 -10.862 0.321 204 2HB LYS 28 3HB LYS 28 5.852 -9.221 0.443 205 1HG LYS 28 2HG LYS 28 4.017 -9.979 1.925 206 2HG LYS 28 3HG LYS 28 4.658 -11.641 1.806 207 1HD LYS 28 2HD LYS 28 6.829 -10.792 2.761 208 2HD LYS 28 3HD LYS 28 6.090 -9.177 2.896 209 1HE LYS 28 2HE LYS 28 4.300 -10.171 4.378 210 2HE LYS 28 3HE LYS 28 5.144 -11.730 4.307 211 1HZ LYS 28 1HZ LYS 28 6.225 -9.222 5.418 212 2HZ LYS 28 2HZ LYS 28 5.694 -10.515 6.283 213 3HZ LYS 28 3HZ LYS 28 7.040 -10.656 5.346 214 H HIS 29 H HIS 29 2.515 -9.044 -0.498 215 HA HIS 29 HA HIS 29 0.744 -11.075 0.669 216 1HB HIS 29 2HB HIS 29 0.249 -8.236 -0.305 217 2HB HIS 29 3HB HIS 29 -1.004 -9.346 0.184 218 HD1 HIS 29 1HD HIS 29 -1.404 -9.699 2.748 219 HD2 HIS 29 2HD HIS 29 1.807 -7.209 1.685 220 HE1 HIS 29 1HE HIS 29 -0.815 -8.359 4.817 221 H ARG 30 H ARG 30 0.742 -12.711 -0.852 222 HA ARG 30 HA ARG 30 0.532 -12.847 -3.506 223 1HB ARG 30 2HB ARG 30 -1.303 -14.413 -1.645 224 2HB ARG 30 3HB ARG 30 -0.872 -14.848 -3.306 225 1HG ARG 30 2HG ARG 30 1.545 -14.959 -2.607 226 2HG ARG 30 3HG ARG 30 1.037 -14.697 -0.929 227 1HD ARG 30 2HD ARG 30 -0.494 -16.752 -1.184 228 2HD ARG 30 3HD ARG 30 0.228 -16.990 -2.767 229 HE ARG 30 HE ARG 30 2.134 -17.830 -1.850 230 1HH1 ARG 30 2HH2 ARG 30 0.319 -16.203 0.686 231 2HH1 ARG 30 1HH2 ARG 30 1.230 -16.860 2.011 232 1HH2 ARG 30 2HH1 ARG 30 3.405 -18.715 -0.128 233 2HH2 ARG 30 1HH1 ARG 30 3.053 -18.311 1.519 234 H GLY 31 H GLY 31 -2.278 -11.850 -1.513 235 1HA GLY 31 2HA GLY 31 -4.144 -11.914 -3.744 236 2HA GLY 31 1HA GLY 31 -4.441 -11.259 -2.136 237 H ILE 32 H ILE 32 -1.650 -9.615 -3.091 238 HA ILE 32 HA ILE 32 -3.111 -7.392 -4.191 239 HB ILE 32 HB ILE 32 -0.904 -7.623 -2.638 240 1HG1 ILE 32 2HG1 ILE 32 -2.330 -5.637 -3.219 241 2HG1 ILE 32 3HG1 ILE 32 -0.656 -5.388 -2.740 242 1HG2 ILE 32 1HG2 ILE 32 0.201 -7.159 -5.432 243 2HG2 ILE 32 2HG2 ILE 32 1.049 -6.854 -3.912 244 3HG2 ILE 32 3HG2 ILE 32 0.586 -8.518 -4.343 245 1HD1 ILE 32 1HD1 ILE 32 -1.496 -5.468 -5.631 246 2HD1 ILE 32 2HD1 ILE 32 -1.422 -3.965 -4.697 247 3HD1 ILE 32 3HD1 ILE 32 0.047 -4.905 -4.972 248 H LEU 33 H LEU 33 -3.548 -7.196 -6.281 249 HA LEU 33 HA LEU 33 -2.482 -9.067 -8.287 250 1HB LEU 33 2HB LEU 33 -4.472 -6.769 -8.418 251 2HB LEU 33 3HB LEU 33 -4.054 -7.832 -9.768 252 HG LEU 33 HG LEU 33 -5.301 -8.796 -7.160 253 1HD1 LEU 33 1HD1 LEU 33 -6.815 -7.278 -8.382 254 2HD1 LEU 33 2HD1 LEU 33 -6.607 -8.245 -9.858 255 3HD1 LEU 33 3HD1 LEU 33 -7.396 -8.951 -8.430 256 1HD2 LEU 33 1HD2 LEU 33 -4.795 -10.141 -9.860 257 2HD2 LEU 33 2HD2 LEU 33 -4.112 -10.610 -8.284 258 3HD2 LEU 33 3HD2 LEU 33 -5.837 -10.815 -8.596 259 H TYR 34 H TYR 34 -2.419 -5.493 -7.504 260 HA TYR 34 HA TYR 34 0.210 -5.350 -8.804 261 1HB TYR 34 2HB TYR 34 -1.292 -5.201 -10.731 262 2HB TYR 34 3HB TYR 34 -2.235 -3.951 -9.938 263 HD1 TYR 34 HD1 TYR 34 1.021 -4.735 -11.537 264 HD2 TYR 34 HD2 TYR 34 -1.487 -1.647 -9.880 265 HE1 TYR 34 HE1 TYR 34 2.516 -2.996 -12.501 266 HE2 TYR 34 HE2 TYR 34 -0.030 0.080 -10.886 267 HH TYR 34 HH TYR 34 2.224 0.362 -11.597 268 H CYS 35 H CYS 35 1.438 -3.883 -7.721 269 HA CYS 35 HA CYS 35 0.079 -1.789 -6.089 270 1HB CYS 35 2HB CYS 35 2.186 -1.531 -4.866 271 2HB CYS 35 3HB CYS 35 1.532 -3.134 -4.627 272 HG CYS 35 HG CYS 35 4.114 -3.299 -4.813 273 H SER 36 H SER 36 0.829 0.325 -6.308 274 HA SER 36 HA SER 36 3.390 0.793 -7.575 275 1HB SER 36 2HB SER 36 0.901 2.077 -8.762 276 2HB SER 36 3HB SER 36 2.541 2.724 -8.960 277 HG SER 36 HG SER 36 2.324 0.034 -9.473 278 H VAL 37 H VAL 37 4.283 1.754 -5.711 279 HA VAL 37 HA VAL 37 2.651 3.785 -4.355 280 HB VAL 37 HB VAL 37 4.031 1.812 -3.309 281 1HG1 VAL 37 1HG1 VAL 37 6.276 2.281 -2.767 282 2HG1 VAL 37 2HG1 VAL 37 6.144 2.462 -4.524 283 3HG1 VAL 37 3HG1 VAL 37 6.212 3.905 -3.481 284 1HG2 VAL 37 1HG2 VAL 37 2.895 3.379 -1.975 285 2HG2 VAL 37 2HG2 VAL 37 4.531 3.178 -1.353 286 3HG2 VAL 37 3HG2 VAL 37 4.110 4.649 -2.244 287 H ALA 38 H ALA 38 3.541 5.931 -3.964 288 HA ALA 38 HA ALA 38 5.994 6.650 -5.365 289 1HB ALA 38 1HB ALA 38 5.070 8.525 -6.587 290 2HB ALA 38 2HB ALA 38 4.371 7.001 -7.188 291 3HB ALA 38 3HB ALA 38 3.412 8.068 -6.126 292 H LEU 39 H LEU 39 7.046 8.160 -4.331 293 HA LEU 39 HA LEU 39 6.099 9.213 -1.798 294 1HB LEU 39 2HB LEU 39 8.273 10.245 -1.616 295 2HB LEU 39 3HB LEU 39 8.417 8.575 -2.133 296 HG LEU 39 HG LEU 39 8.461 9.778 -4.590 297 1HD1 LEU 39 1HD1 LEU 39 8.376 12.091 -3.582 298 2HD1 LEU 39 2HD1 LEU 39 9.864 11.722 -2.696 299 3HD1 LEU 39 3HD1 LEU 39 9.874 11.779 -4.468 300 1HD2 LEU 39 1HD2 LEU 39 10.085 8.146 -3.751 301 2HD2 LEU 39 2HD2 LEU 39 10.912 9.535 -4.476 302 3HD2 LEU 39 3HD2 LEU 39 10.817 9.384 -2.709 303 H ALA 40 H ALA 40 6.335 10.366 -5.097 304 HA ALA 40 HA ALA 40 6.290 13.048 -5.023 305 1HB ALA 40 1HB ALA 40 4.500 11.305 -6.767 306 2HB ALA 40 2HB ALA 40 4.983 12.980 -7.111 307 3HB ALA 40 3HB ALA 40 6.207 11.696 -7.075 308 H THR 41 H THR 41 3.458 11.041 -4.201 309 HA THR 41 HA THR 41 2.353 13.355 -2.771 310 HB THR 41 HB THR 41 1.443 13.455 -4.996 311 HG1 THR 41 1HG THR 41 -0.652 13.871 -4.284 312 1HG2 THR 41 1HG2 THR 41 -0.293 12.014 -5.806 313 2HG2 THR 41 2HG2 THR 41 1.217 11.109 -5.585 314 3HG2 THR 41 3HG2 THR 41 -0.109 10.951 -4.396 315 H ASN 42 H ASN 42 3.779 11.223 -1.972 316 HA ASN 42 HA ASN 42 3.775 9.242 -0.704 317 1HB ASN 42 2HB ASN 42 2.223 11.439 0.692 318 2HB ASN 42 3HB ASN 42 2.421 9.895 1.506 319 1HD2 ASN 42 1HD2 ASN 42 4.555 9.012 1.872 320 2HD2 ASN 42 2HD2 ASN 42 5.957 10.115 1.878 321 H LYS 43 H LYS 43 2.405 8.239 -2.597 322 HA LYS 43 HA LYS 43 -0.259 7.375 -1.504 323 1HB LYS 43 2HB LYS 43 -1.149 7.414 -3.695 324 2HB LYS 43 3HB LYS 43 -0.544 8.994 -3.270 325 1HG LYS 43 2HG LYS 43 1.143 8.925 -4.894 326 2HG LYS 43 3HG LYS 43 1.288 7.181 -4.864 327 1HD LYS 43 2HD LYS 43 0.277 7.862 -6.964 328 2HD LYS 43 3HD LYS 43 -0.781 6.823 -6.002 329 1HE LYS 43 2HE LYS 43 -1.989 8.928 -5.197 330 2HE LYS 43 3HE LYS 43 -1.032 9.849 -6.338 331 1HZ LYS 43 1HZ LYS 43 -2.253 9.012 -8.084 332 2HZ LYS 43 2HZ LYS 43 -2.494 7.537 -7.376 333 3HZ LYS 43 3HZ LYS 43 -3.391 8.724 -6.896 334 H ALA 44 H ALA 44 -0.762 5.248 -1.586 335 HA ALA 44 HA ALA 44 0.959 3.401 -3.185 336 1HB ALA 44 1HB ALA 44 1.244 3.058 -0.687 337 2HB ALA 44 2HB ALA 44 -0.476 2.701 -0.617 338 3HB ALA 44 3HB ALA 44 0.588 1.698 -1.632 339 H HIS 45 H HIS 45 -0.193 3.015 -5.009 340 HA HIS 45 HA HIS 45 -3.075 2.733 -4.978 341 1HB HIS 45 2HB HIS 45 -1.610 3.883 -6.777 342 2HB HIS 45 3HB HIS 45 -0.976 2.280 -7.169 343 HD1 HIS 45 1HD HIS 45 -3.669 4.576 -7.962 344 HD2 HIS 45 2HD HIS 45 -3.410 0.463 -7.196 345 HE1 HIS 45 1HE HIS 45 -5.851 3.583 -8.669 346 H ILE 46 H ILE 46 -3.605 0.804 -3.990 347 HA ILE 46 HA ILE 46 -1.901 -1.610 -4.574 348 HB ILE 46 HB ILE 46 -3.228 -0.626 -2.061 349 1HG1 ILE 46 2HG1 ILE 46 -0.487 -1.888 -2.455 350 2HG1 ILE 46 3HG1 ILE 46 -0.728 -0.184 -2.841 351 1HG2 ILE 46 1HG2 ILE 46 -2.368 -3.458 -2.717 352 2HG2 ILE 46 2HG2 ILE 46 -2.577 -2.886 -1.064 353 3HG2 ILE 46 3HG2 ILE 46 -3.957 -2.915 -2.154 354 1HD1 ILE 46 1HD1 ILE 46 -1.362 0.366 -0.602 355 2HD1 ILE 46 2HD1 ILE 46 -1.313 -1.334 -0.096 356 3HD1 ILE 46 3HD1 ILE 46 0.178 -0.503 -0.567 357 H LYS 47 H LYS 47 -2.902 -2.813 -6.033 358 HA LYS 47 HA LYS 47 -5.880 -2.856 -6.166 359 1HB LYS 47 2HB LYS 47 -3.824 -3.816 -8.196 360 2HB LYS 47 3HB LYS 47 -5.554 -3.680 -8.378 361 1HG LYS 47 2HG LYS 47 -5.132 -1.075 -7.956 362 2HG LYS 47 3HG LYS 47 -3.430 -1.491 -8.114 363 1HD LYS 47 2HD LYS 47 -3.897 -0.911 -10.308 364 2HD LYS 47 3HD LYS 47 -4.132 -2.657 -10.372 365 1HE LYS 47 2HE LYS 47 -6.171 -0.428 -10.417 366 2HE LYS 47 3HE LYS 47 -5.956 -1.742 -11.575 367 1HZ LYS 47 1HZ LYS 47 -7.932 -2.168 -10.182 368 2HZ LYS 47 2HZ LYS 47 -6.859 -3.279 -9.885 369 3HZ LYS 47 3HZ LYS 47 -7.058 -2.020 -8.834 370 H TYR 48 H TYR 48 -6.555 -4.549 -4.919 371 HA TYR 48 HA TYR 48 -5.156 -7.138 -4.972 372 1HB TYR 48 2HB TYR 48 -5.278 -7.236 -2.542 373 2HB TYR 48 3HB TYR 48 -4.482 -5.743 -2.973 374 HD1 TYR 48 HD1 TYR 48 -7.246 -7.174 -1.138 375 HD2 TYR 48 HD2 TYR 48 -5.897 -3.562 -3.039 376 HE1 TYR 48 HE1 TYR 48 -8.441 -5.823 0.559 377 HE2 TYR 48 HE2 TYR 48 -7.115 -2.218 -1.399 378 HH TYR 48 HH TYR 48 -8.413 -2.269 0.539 379 H ASP 49 H ASP 49 -6.505 -8.884 -4.128 380 HA ASP 49 HA ASP 49 -9.329 -8.592 -4.940 381 1HB ASP 49 2HB ASP 49 -7.742 -10.978 -3.920 382 2HB ASP 49 3HB ASP 49 -9.462 -11.021 -4.314 383 HA PRO 50 HA PRO 50 -9.733 -7.397 -0.588 384 1HB PRO 50 2HB PRO 50 -12.172 -6.236 -0.578 385 2HB PRO 50 3HB PRO 50 -10.818 -5.547 -1.515 386 1HG PRO 50 2HG PRO 50 -13.013 -7.367 -2.549 387 2HG PRO 50 3HG PRO 50 -12.488 -5.796 -3.226 388 1HD PRO 50 2HD PRO 50 -11.558 -8.198 -4.140 389 2HD PRO 50 3HD PRO 50 -10.526 -6.734 -4.111 390 H GLU 51 H GLU 51 -9.625 -9.859 -0.448 391 HA GLU 51 HA GLU 51 -11.984 -10.778 1.122 392 1HB GLU 51 2HB GLU 51 -11.490 -13.100 0.010 393 2HB GLU 51 3HB GLU 51 -12.531 -11.932 -0.791 394 1HG GLU 51 2HG GLU 51 -10.983 -11.370 -2.427 395 2HG GLU 51 3HG GLU 51 -9.586 -11.970 -1.530 396 H ILE 52 H ILE 52 -9.252 -12.822 0.237 397 HA ILE 52 HA ILE 52 -8.687 -13.362 2.954 398 HB ILE 52 HB ILE 52 -6.727 -14.551 2.171 399 1HG1 ILE 52 2HG1 ILE 52 -6.639 -14.524 -0.575 400 2HG1 ILE 52 3HG1 ILE 52 -6.958 -12.824 -0.243 401 1HG2 ILE 52 1HG2 ILE 52 -8.949 -15.588 1.953 402 2HG2 ILE 52 2HG2 ILE 52 -9.075 -14.987 0.288 403 3HG2 ILE 52 3HG2 ILE 52 -7.822 -16.166 0.714 404 1HD1 ILE 52 1HD1 ILE 52 -4.670 -14.547 0.815 405 2HD1 ILE 52 2HD1 ILE 52 -4.555 -13.175 -0.303 406 3HD1 ILE 52 3HD1 ILE 52 -4.971 -12.905 1.400 407 H ILE 53 H ILE 53 -7.439 -10.863 0.947 408 HA ILE 53 HA ILE 53 -5.795 -9.902 3.243 409 HB ILE 53 HB ILE 53 -4.617 -10.703 1.154 410 1HG1 ILE 53 2HG1 ILE 53 -3.487 -9.483 2.839 411 2HG1 ILE 53 3HG1 ILE 53 -2.915 -9.070 1.213 412 1HG2 ILE 53 1HG2 ILE 53 -5.551 -8.105 -0.074 413 2HG2 ILE 53 2HG2 ILE 53 -4.367 -9.228 -0.741 414 3HG2 ILE 53 3HG2 ILE 53 -6.062 -9.728 -0.578 415 1HD1 ILE 53 1HD1 ILE 53 -3.053 -7.083 2.587 416 2HD1 ILE 53 2HD1 ILE 53 -4.257 -6.973 1.285 417 3HD1 ILE 53 3HD1 ILE 53 -4.761 -7.421 2.929 418 H GLY 54 H GLY 54 -6.589 -8.064 4.141 419 1HA GLY 54 2HA GLY 54 -8.794 -6.607 2.727 420 2HA GLY 54 1HA GLY 54 -8.629 -6.897 4.464 421 HA PRO 55 HA PRO 55 -6.722 -2.699 3.381 422 1HB PRO 55 2HB PRO 55 -8.321 -1.214 5.059 423 2HB PRO 55 3HB PRO 55 -8.686 -1.536 3.342 424 1HG PRO 55 2HG PRO 55 -9.754 -3.012 5.756 425 2HG PRO 55 3HG PRO 55 -10.667 -2.395 4.349 426 1HD PRO 55 2HD PRO 55 -9.920 -4.991 4.500 427 2HD PRO 55 3HD PRO 55 -9.832 -4.126 2.940 428 H ARG 56 H ARG 56 -7.928 -4.268 6.359 429 HA ARG 56 HA ARG 56 -6.282 -2.945 8.203 430 1HB ARG 56 2HB ARG 56 -8.210 -4.323 8.802 431 2HB ARG 56 3HB ARG 56 -7.347 -5.797 8.323 432 1HG ARG 56 2HG ARG 56 -5.698 -5.509 10.060 433 2HG ARG 56 3HG ARG 56 -6.247 -3.865 10.414 434 1HD ARG 56 2HD ARG 56 -7.944 -6.359 10.806 435 2HD ARG 56 3HD ARG 56 -6.954 -5.591 12.075 436 HE ARG 56 HE ARG 56 -8.529 -3.554 10.994 437 1HH1 ARG 56 2HH2 ARG 56 -9.009 -6.531 12.795 438 2HH1 ARG 56 1HH2 ARG 56 -10.449 -6.016 13.622 439 1HH2 ARG 56 2HH1 ARG 56 -10.444 -2.804 12.059 440 2HH2 ARG 56 1HH1 ARG 56 -11.283 -3.824 13.181 441 H ASP 57 H ASP 57 -5.607 -6.071 6.427 442 HA ASP 57 HA ASP 57 -3.184 -6.570 7.741 443 1HB ASP 57 2HB ASP 57 -3.664 -7.322 4.856 444 2HB ASP 57 3HB ASP 57 -2.808 -8.221 6.108 445 H ILE 58 H ILE 58 -3.858 -4.885 4.664 446 HA ILE 58 HA ILE 58 -1.229 -4.118 3.931 447 HB ILE 58 HB ILE 58 -3.841 -2.585 3.648 448 1HG1 ILE 58 2HG1 ILE 58 -2.389 -4.196 1.517 449 2HG1 ILE 58 3HG1 ILE 58 -3.693 -4.847 2.524 450 1HG2 ILE 58 1HG2 ILE 58 -2.655 -1.285 1.872 451 2HG2 ILE 58 2HG2 ILE 58 -1.946 -1.020 3.443 452 3HG2 ILE 58 3HG2 ILE 58 -1.149 -2.118 2.303 453 1HD1 ILE 58 1HD1 ILE 58 -3.989 -2.443 0.693 454 2HD1 ILE 58 2HD1 ILE 58 -4.642 -4.079 0.436 455 3HD1 ILE 58 3HD1 ILE 58 -5.214 -3.071 1.790 456 H ILE 59 H ILE 59 -3.659 -2.344 5.923 457 HA ILE 59 HA ILE 59 -2.039 -0.177 6.456 458 HB ILE 59 HB ILE 59 -4.413 -1.379 7.817 459 1HG1 ILE 59 2HG1 ILE 59 -4.083 1.403 6.653 460 2HG1 ILE 59 3HG1 ILE 59 -4.397 -0.007 5.635 461 1HG2 ILE 59 1HG2 ILE 59 -2.913 1.040 8.903 462 2HG2 ILE 59 2HG2 ILE 59 -4.563 0.593 9.359 463 3HG2 ILE 59 3HG2 ILE 59 -3.227 -0.477 9.751 464 1HD1 ILE 59 1HD1 ILE 59 -6.501 1.030 6.130 465 2HD1 ILE 59 2HD1 ILE 59 -6.426 -0.520 6.995 466 3HD1 ILE 59 3HD1 ILE 59 -6.183 1.005 7.875 467 H HIS 60 H HIS 60 -2.414 -3.147 8.408 468 HA HIS 60 HA HIS 60 -0.687 -2.424 10.573 469 1HB HIS 60 2HB HIS 60 -1.476 -5.106 9.354 470 2HB HIS 60 3HB HIS 60 -0.413 -4.957 10.752 471 HD1 HIS 60 1HD HIS 60 -2.148 -6.274 12.250 472 HD2 HIS 60 2HD HIS 60 -3.491 -2.615 10.665 473 HE1 HIS 60 1HE HIS 60 -4.290 -5.671 13.500 474 H THR 61 H THR 61 -0.138 -3.959 7.422 475 HA THR 61 HA THR 61 2.628 -4.583 7.855 476 HB THR 61 HB THR 61 0.956 -4.245 5.349 477 HG1 THR 61 1HG THR 61 0.262 -5.900 6.542 478 1HG2 THR 61 1HG2 THR 61 3.736 -5.478 5.692 479 2HG2 THR 61 2HG2 THR 61 2.719 -5.632 4.245 480 3HG2 THR 61 3HG2 THR 61 3.348 -4.043 4.711 481 H ILE 62 H ILE 62 1.064 -1.756 6.224 482 HA ILE 62 HA ILE 62 3.553 -0.463 5.603 483 HB ILE 62 HB ILE 62 0.777 0.670 6.000 484 1HG1 ILE 62 2HG1 ILE 62 0.953 -0.996 4.115 485 2HG1 ILE 62 3HG1 ILE 62 0.454 0.627 3.658 486 1HG2 ILE 62 1HG2 ILE 62 3.292 1.904 4.831 487 2HG2 ILE 62 2HG2 ILE 62 1.669 2.589 4.622 488 3HG2 ILE 62 3HG2 ILE 62 2.367 2.468 6.231 489 1HD1 ILE 62 1HD1 ILE 62 3.232 -0.550 3.269 490 2HD1 ILE 62 2HD1 ILE 62 1.989 -0.297 2.032 491 3HD1 ILE 62 3HD1 ILE 62 2.735 1.098 2.800 492 H GLU 63 H GLU 63 1.332 -0.200 8.431 493 HA GLU 63 HA GLU 63 2.800 1.735 9.890 494 1HB GLU 63 2HB GLU 63 1.079 -0.612 10.766 495 2HB GLU 63 3HB GLU 63 1.718 0.594 11.888 496 1HG GLU 63 2HG GLU 63 0.536 2.392 10.799 497 2HG GLU 63 3HG GLU 63 0.020 1.355 9.470 498 H SER 64 H SER 64 3.165 -1.843 9.750 499 HA SER 64 HA SER 64 5.359 -1.987 11.551 500 1HB SER 64 2HB SER 64 4.769 -3.841 9.209 501 2HB SER 64 3HB SER 64 5.828 -4.165 10.587 502 HG SER 64 HG SER 64 3.034 -3.631 10.729 503 H LEU 65 H LEU 65 5.327 -1.411 7.986 504 HA LEU 65 HA LEU 65 8.205 -1.302 7.737 505 1HB LEU 65 2HB LEU 65 6.092 0.201 6.142 506 2HB LEU 65 3HB LEU 65 7.801 0.091 5.735 507 HG LEU 65 HG LEU 65 5.869 -2.262 5.827 508 1HD1 LEU 65 1HD1 LEU 65 5.496 -0.639 3.981 509 2HD1 LEU 65 2HD1 LEU 65 7.190 -0.823 3.489 510 3HD1 LEU 65 3HD1 LEU 65 6.077 -2.205 3.395 511 1HD2 LEU 65 1HD2 LEU 65 8.111 -3.067 6.363 512 2HD2 LEU 65 2HD2 LEU 65 7.742 -3.481 4.689 513 3HD2 LEU 65 3HD2 LEU 65 8.810 -2.107 5.037 514 H GLY 66 H GLY 66 5.768 1.128 8.598 515 1HA GLY 66 2HA GLY 66 6.306 2.645 10.399 516 2HA GLY 66 1HA GLY 66 7.945 2.832 9.777 517 H PHE 67 H PHE 67 4.735 2.942 8.125 518 HA PHE 67 HA PHE 67 5.070 5.860 7.663 519 1HB PHE 67 2HB PHE 67 4.041 3.960 5.543 520 2HB PHE 67 3HB PHE 67 4.402 5.662 5.362 521 HD1 PHE 67 1HD PHE 67 5.565 2.456 4.543 522 HD2 PHE 67 2HD PHE 67 7.033 6.173 6.150 523 HE1 PHE 67 1HE PHE 67 7.838 1.921 3.725 524 HE2 PHE 67 2HE PHE 67 9.292 5.661 5.280 525 HZ PHE 67 HZ PHE 67 9.711 3.510 4.119 526 H GLU 68 H GLU 68 2.876 6.857 7.231 527 HA GLU 68 HA GLU 68 0.771 5.529 8.823 528 1HB GLU 68 2HB GLU 68 0.929 8.251 7.506 529 2HB GLU 68 3HB GLU 68 -0.307 7.678 8.618 530 1HG GLU 68 2HG GLU 68 1.365 7.644 10.439 531 2HG GLU 68 3HG GLU 68 2.633 8.137 9.299 532 HA PRO 69 HA PRO 69 -1.043 4.792 4.585 533 1HB PRO 69 2HB PRO 69 -2.476 2.566 5.060 534 2HB PRO 69 3HB PRO 69 -0.696 2.484 4.900 535 1HG PRO 69 2HG PRO 69 -2.336 2.592 7.426 536 2HG PRO 69 3HG PRO 69 -0.985 1.495 7.051 537 1HD PRO 69 2HD PRO 69 -0.694 3.797 8.531 538 2HD PRO 69 3HD PRO 69 0.597 3.103 7.514 539 H SER 70 H SER 70 -2.915 5.870 4.060 540 HA SER 70 HA SER 70 -5.162 6.040 6.020 541 1HB SER 70 2HB SER 70 -3.323 7.702 6.423 542 2HB SER 70 3HB SER 70 -3.638 8.343 4.797 543 HG SER 70 HG SER 70 -5.596 8.190 6.865 544 H LEU 71 H LEU 71 -6.830 5.428 4.827 545 HA LEU 71 HA LEU 71 -6.939 5.725 1.914 546 1HB LEU 71 2HB LEU 71 -9.136 4.663 2.101 547 2HB LEU 71 3HB LEU 71 -7.804 3.699 2.718 548 HG LEU 71 HG LEU 71 -9.191 5.347 4.794 549 1HD1 LEU 71 1HD1 LEU 71 -11.112 3.799 4.937 550 2HD1 LEU 71 2HD1 LEU 71 -11.120 4.714 3.421 551 3HD1 LEU 71 3HD1 LEU 71 -10.596 3.014 3.428 552 1HD2 LEU 71 1HD2 LEU 71 -8.489 2.376 4.640 553 2HD2 LEU 71 2HD2 LEU 71 -7.421 3.614 5.319 554 3HD2 LEU 71 3HD2 LEU 71 -8.979 3.275 6.088 555 H VAL 72 H VAL 72 -6.561 8.111 2.311 556 HA VAL 72 HA VAL 72 -8.635 9.854 3.134 557 HB VAL 72 HB VAL 72 -6.490 10.259 1.007 558 1HG1 VAL 72 1HG1 VAL 72 -8.208 12.294 2.492 559 2HG1 VAL 72 2HG1 VAL 72 -6.796 12.687 1.489 560 3HG1 VAL 72 3HG1 VAL 72 -8.228 11.971 0.744 561 1HG2 VAL 72 1HG2 VAL 72 -5.277 11.429 2.845 562 2HG2 VAL 72 2HG2 VAL 72 -6.563 10.973 3.980 563 3HG2 VAL 72 3HG2 VAL 72 -5.536 9.729 3.243 564 H LYS 73 H LYS 73 -8.089 8.166 0.058 565 HA LYS 73 HA LYS 73 -10.892 8.808 -0.689 566 1HB LYS 73 2HB LYS 73 -10.351 8.290 -2.982 567 2HB LYS 73 3HB LYS 73 -9.529 9.733 -2.398 568 1HG LYS 73 2HG LYS 73 -7.430 8.458 -2.093 569 2HG LYS 73 3HG LYS 73 -8.180 7.008 -2.754 570 1HD LYS 73 2HD LYS 73 -8.191 9.607 -4.359 571 2HD LYS 73 3HD LYS 73 -6.705 8.683 -4.236 572 1HE LYS 73 2HE LYS 73 -7.851 8.054 -6.291 573 2HE LYS 73 3HE LYS 73 -7.766 6.683 -5.178 574 1HZ LYS 73 1HZ LYS 73 -9.968 7.094 -4.501 575 2HZ LYS 73 2HZ LYS 73 -10.200 8.304 -5.614 576 3HZ LYS 73 3HZ LYS 73 -9.966 6.693 -5.989 577 H ILE 74 H ILE 74 -12.179 7.054 -0.859 578 HA ILE 74 HA ILE 74 -11.046 4.383 -0.247 579 HB ILE 74 HB ILE 74 -12.586 5.239 1.414 580 1HG1 ILE 74 2HG1 ILE 74 -12.384 2.819 0.990 581 2HG1 ILE 74 3HG1 ILE 74 -13.881 3.337 1.758 582 1HG2 ILE 74 1HG2 ILE 74 -14.772 5.308 -0.697 583 2HG2 ILE 74 2HG2 ILE 74 -14.971 5.513 1.049 584 3HG2 ILE 74 3HG2 ILE 74 -14.041 6.697 0.124 585 1HD1 ILE 74 1HD1 ILE 74 -14.318 1.582 0.141 586 2HD1 ILE 74 2HD1 ILE 74 -15.112 3.075 -0.371 587 3HD1 ILE 74 3HD1 ILE 74 -13.618 2.532 -1.169 588 H GLU 75 H GLU 75 -10.901 3.160 -2.036 589 HA GLU 75 HA GLU 75 -10.574 2.881 -4.216 590 1HB GLU 75 2HB GLU 75 -13.468 3.797 -4.507 591 2HB GLU 75 3HB GLU 75 -12.476 3.199 -5.833 592 1HG GLU 75 2HG GLU 75 -12.966 1.529 -3.325 593 2HG GLU 75 3HG GLU 75 -14.014 1.487 -4.748 Start of MODEL 20 1 1H MET 1 H1 MET 1 -14.834 -8.600 -4.249 2 2H MET 1 H2 MET 1 -14.761 -10.227 -3.792 3 3H MET 1 H3 MET 1 -13.450 -9.545 -4.312 4 HA MET 1 HA MET 1 -14.193 -10.817 -6.057 5 1HB MET 1 2HB MET 1 -16.890 -9.416 -5.740 6 2HB MET 1 3HB MET 1 -16.465 -10.589 -6.996 7 1HG MET 1 2HG MET 1 -16.033 -12.291 -5.198 8 2HG MET 1 3HG MET 1 -16.618 -11.125 -3.999 9 1HE MET 1 1HE MET 1 -19.471 -13.741 -4.030 10 2HE MET 1 2HE MET 1 -17.727 -14.051 -4.219 11 3HE MET 1 3HE MET 1 -18.297 -12.845 -3.037 12 H GLY 2 H GLY 2 -13.129 -9.963 -7.816 13 1HA GLY 2 2HA GLY 2 -12.447 -8.439 -9.402 14 2HA GLY 2 1HA GLY 2 -13.716 -7.304 -8.904 15 H ASP 3 H ASP 3 -10.887 -6.661 -9.428 16 HA ASP 3 HA ASP 3 -9.248 -6.645 -7.298 17 1HB ASP 3 2HB ASP 3 -9.436 -4.332 -9.247 18 2HB ASP 3 3HB ASP 3 -8.018 -4.930 -8.354 19 H GLY 4 H GLY 4 -9.521 -5.918 -5.301 20 1HA GLY 4 2HA GLY 4 -10.999 -3.520 -4.492 21 2HA GLY 4 1HA GLY 4 -9.897 -4.509 -3.515 22 H VAL 5 H VAL 5 -9.974 -2.171 -6.197 23 HA VAL 5 HA VAL 5 -7.168 -1.423 -5.858 24 HB VAL 5 HB VAL 5 -7.553 0.255 -7.513 25 1HG1 VAL 5 1HG1 VAL 5 -8.069 -1.167 -9.376 26 2HG1 VAL 5 2HG1 VAL 5 -7.292 -2.191 -8.154 27 3HG1 VAL 5 3HG1 VAL 5 -9.050 -2.244 -8.371 28 1HG2 VAL 5 1HG2 VAL 5 -10.521 -0.446 -7.355 29 2HG2 VAL 5 2HG2 VAL 5 -9.772 1.131 -7.016 30 3HG2 VAL 5 3HG2 VAL 5 -9.765 0.489 -8.657 31 H LEU 6 H LEU 6 -6.358 0.019 -4.392 32 HA LEU 6 HA LEU 6 -8.045 2.296 -3.617 33 1HB LEU 6 2HB LEU 6 -6.899 0.342 -1.580 34 2HB LEU 6 3HB LEU 6 -7.074 2.058 -1.234 35 HG LEU 6 HG LEU 6 -9.592 1.544 -2.201 36 1HD1 LEU 6 1HD1 LEU 6 -8.901 -0.824 -0.442 37 2HD1 LEU 6 2HD1 LEU 6 -10.431 -0.496 -1.272 38 3HD1 LEU 6 3HD1 LEU 6 -9.002 -0.963 -2.216 39 1HD2 LEU 6 1HD2 LEU 6 -9.052 2.818 -0.191 40 2HD2 LEU 6 2HD2 LEU 6 -10.281 1.593 0.170 41 3HD2 LEU 6 3HD2 LEU 6 -8.595 1.328 0.667 42 H GLU 7 H GLU 7 -6.983 4.092 -3.571 43 HA GLU 7 HA GLU 7 -4.026 4.216 -3.722 44 1HB GLU 7 2HB GLU 7 -6.272 6.255 -4.036 45 2HB GLU 7 3HB GLU 7 -4.563 6.672 -4.066 46 1HG GLU 7 2HG GLU 7 -5.674 4.578 -5.988 47 2HG GLU 7 3HG GLU 7 -5.834 6.303 -6.319 48 H LEU 8 H LEU 8 -3.430 3.688 -1.598 49 HA LEU 8 HA LEU 8 -4.674 5.303 0.602 50 1HB LEU 8 2HB LEU 8 -3.221 3.859 2.104 51 2HB LEU 8 3HB LEU 8 -4.729 3.204 1.495 52 HG LEU 8 HG LEU 8 -2.276 2.692 -0.135 53 1HD1 LEU 8 1HD1 LEU 8 -1.649 0.752 1.220 54 2HD1 LEU 8 2HD1 LEU 8 -1.457 2.263 2.124 55 3HD1 LEU 8 3HD1 LEU 8 -2.852 1.198 2.446 56 1HD2 LEU 8 1HD2 LEU 8 -4.502 1.794 -0.853 57 2HD2 LEU 8 2HD2 LEU 8 -3.433 0.465 -0.383 58 3HD2 LEU 8 3HD2 LEU 8 -4.696 1.004 0.722 59 H VAL 9 H VAL 9 -3.688 7.022 1.238 60 HA VAL 9 HA VAL 9 -1.148 7.780 0.021 61 HB VAL 9 HB VAL 9 -2.764 9.517 1.876 62 1HG1 VAL 9 1HG1 VAL 9 -0.926 10.033 -0.519 63 2HG1 VAL 9 2HG1 VAL 9 -1.675 11.279 0.496 64 3HG1 VAL 9 3HG1 VAL 9 -0.439 10.209 1.184 65 1HG2 VAL 9 1HG2 VAL 9 -3.825 10.429 -0.215 66 2HG2 VAL 9 2HG2 VAL 9 -3.149 9.072 -1.130 67 3HG2 VAL 9 3HG2 VAL 9 -4.361 8.783 0.135 68 H VAL 10 H VAL 10 0.744 7.304 0.975 69 HA VAL 10 HA VAL 10 0.661 6.097 3.673 70 HB VAL 10 HB VAL 10 2.898 5.208 2.878 71 1HG1 VAL 10 1HG1 VAL 10 1.809 3.304 1.767 72 2HG1 VAL 10 2HG1 VAL 10 0.836 3.864 3.138 73 3HG1 VAL 10 3HG1 VAL 10 0.349 4.277 1.487 74 1HG2 VAL 10 1HG2 VAL 10 3.316 4.925 0.551 75 2HG2 VAL 10 2HG2 VAL 10 1.773 5.640 0.098 76 3HG2 VAL 10 3HG2 VAL 10 3.057 6.665 0.762 77 H ARG 11 H ARG 11 0.817 7.909 4.995 78 HA ARG 11 HA ARG 11 2.653 10.055 4.229 79 1HB ARG 11 2HB ARG 11 1.568 9.908 7.019 80 2HB ARG 11 3HB ARG 11 1.856 11.295 5.975 81 1HG ARG 11 2HG ARG 11 -0.116 10.488 4.540 82 2HG ARG 11 3HG ARG 11 -0.411 9.276 5.804 83 1HD ARG 11 2HD ARG 11 -0.389 11.302 7.451 84 2HD ARG 11 3HD ARG 11 -0.655 12.275 5.981 85 HE ARG 11 HE ARG 11 -2.434 9.951 6.254 86 1HH1 ARG 11 2HH2 ARG 11 -2.094 13.318 7.258 87 2HH1 ARG 11 1HH2 ARG 11 -3.756 13.476 7.749 88 1HH2 ARG 11 2HH1 ARG 11 -4.437 10.055 6.940 89 2HH2 ARG 11 1HH1 ARG 11 -5.201 11.520 7.548 90 H GLY 12 H GLY 12 4.729 10.386 4.961 91 1HA GLY 12 2HA GLY 12 6.295 10.126 6.883 92 2HA GLY 12 1HA GLY 12 5.948 8.395 6.852 93 H MET 13 H MET 13 5.959 7.731 4.149 94 HA MET 13 HA MET 13 8.697 7.544 3.633 95 1HB MET 13 2HB MET 13 7.908 6.550 1.524 96 2HB MET 13 3HB MET 13 7.001 5.930 2.907 97 1HG MET 13 2HG MET 13 5.145 6.441 1.752 98 2HG MET 13 3HG MET 13 5.450 8.122 2.156 99 1HE MET 13 1HE MET 13 7.281 5.752 -0.376 100 2HE MET 13 2HE MET 13 5.542 5.414 -0.355 101 3HE MET 13 3HE MET 13 6.302 6.101 -1.824 102 H THR 14 H THR 14 10.062 8.596 2.148 103 HA THR 14 HA THR 14 8.998 10.759 0.457 104 HB THR 14 HB THR 14 9.072 11.777 2.700 105 HG1 THR 14 1HG THR 14 10.954 12.665 0.803 106 1HG2 THR 14 1HG2 THR 14 10.893 10.465 3.727 107 2HG2 THR 14 2HG2 THR 14 12.072 11.211 2.626 108 3HG2 THR 14 3HG2 THR 14 11.210 12.203 3.818 109 H CYS 15 H CYS 15 10.939 8.187 0.323 110 HA CYS 15 HA CYS 15 12.572 9.362 -1.743 111 1HB CYS 15 2HB CYS 15 14.722 8.497 -0.561 112 2HB CYS 15 3HB CYS 15 14.086 10.082 -0.137 113 H ALA 16 H ALA 16 13.843 7.737 -2.820 114 HA ALA 16 HA ALA 16 12.563 5.438 -3.607 115 1HB ALA 16 1HB ALA 16 14.473 6.430 -4.772 116 2HB ALA 16 2HB ALA 16 15.563 5.913 -3.465 117 3HB ALA 16 3HB ALA 16 14.740 4.702 -4.472 118 H SER 17 H SER 17 14.881 5.817 -0.944 119 HA SER 17 HA SER 17 15.410 3.441 0.127 120 1HB SER 17 2HB SER 17 14.283 5.740 1.734 121 2HB SER 17 3HB SER 17 15.637 4.670 2.138 122 HG SER 17 HG SER 17 16.043 6.912 1.218 123 H CYS 18 H CYS 18 12.240 5.141 0.439 124 HA CYS 18 HA CYS 18 11.037 3.043 2.070 125 1HB CYS 18 2HB CYS 18 9.795 5.390 0.600 126 2HB CYS 18 3HB CYS 18 9.065 4.420 1.886 127 H VAL 19 H VAL 19 10.862 4.202 -1.258 128 HA VAL 19 HA VAL 19 8.520 3.060 -2.150 129 HB VAL 19 HB VAL 19 11.111 3.436 -3.744 130 1HG1 VAL 19 1HG1 VAL 19 9.785 3.650 -5.726 131 2HG1 VAL 19 2HG1 VAL 19 9.405 2.084 -5.007 132 3HG1 VAL 19 3HG1 VAL 19 8.279 3.445 -4.834 133 1HG2 VAL 19 1HG2 VAL 19 10.133 5.627 -4.324 134 2HG2 VAL 19 2HG2 VAL 19 8.814 5.319 -3.157 135 3HG2 VAL 19 3HG2 VAL 19 10.496 5.453 -2.604 136 H HIS 20 H HIS 20 11.796 1.744 -2.568 137 HA HIS 20 HA HIS 20 10.927 -0.637 -3.800 138 1HB HIS 20 2HB HIS 20 13.257 -1.338 -3.516 139 2HB HIS 20 3HB HIS 20 13.056 0.292 -4.174 140 HD1 HIS 20 1HD HIS 20 15.186 1.535 -3.423 141 HD2 HIS 20 2HD HIS 20 13.408 -0.846 -0.503 142 HE1 HIS 20 1HE HIS 20 16.610 1.795 -1.323 143 H LYS 21 H LYS 21 11.080 0.209 -0.375 144 HA LYS 21 HA LYS 21 11.088 -2.575 0.546 145 1HB LYS 21 2HB LYS 21 10.446 -0.037 2.118 146 2HB LYS 21 3HB LYS 21 10.696 -1.669 2.758 147 1HG LYS 21 2HG LYS 21 13.002 -1.652 1.731 148 2HG LYS 21 3HG LYS 21 12.683 0.054 1.298 149 1HD LYS 21 2HD LYS 21 12.530 0.715 3.601 150 2HD LYS 21 3HD LYS 21 12.629 -0.964 4.153 151 1HE LYS 21 2HE LYS 21 14.781 0.256 4.387 152 2HE LYS 21 3HE LYS 21 14.922 -1.191 3.377 153 1HZ LYS 21 1HZ LYS 21 16.028 0.877 2.512 154 2HZ LYS 21 2HZ LYS 21 15.017 0.197 1.414 155 3HZ LYS 21 3HZ LYS 21 14.517 1.488 2.224 156 H ILE 22 H ILE 22 8.784 0.127 0.157 157 HA ILE 22 HA ILE 22 6.454 -1.233 1.068 158 HB ILE 22 HB ILE 22 6.787 0.921 -1.037 159 1HG1 ILE 22 2HG1 ILE 22 5.972 1.069 1.872 160 2HG1 ILE 22 3HG1 ILE 22 7.585 1.448 1.226 161 1HG2 ILE 22 1HG2 ILE 22 4.626 -0.134 -1.406 162 2HG2 ILE 22 2HG2 ILE 22 4.283 -0.139 0.345 163 3HG2 ILE 22 3HG2 ILE 22 4.322 1.376 -0.568 164 1HD1 ILE 22 1HD1 ILE 22 6.542 3.520 1.588 165 2HD1 ILE 22 2HD1 ILE 22 6.570 3.243 -0.162 166 3HD1 ILE 22 3HD1 ILE 22 5.058 3.020 0.776 167 H GLU 23 H GLU 23 7.655 -0.860 -2.320 168 HA GLU 23 HA GLU 23 5.650 -2.553 -3.332 169 1HB GLU 23 2HB GLU 23 8.310 -1.769 -4.573 170 2HB GLU 23 3HB GLU 23 6.984 -2.586 -5.423 171 1HG GLU 23 2HG GLU 23 5.437 -0.723 -4.758 172 2HG GLU 23 3HG GLU 23 6.818 0.125 -4.040 173 H SER 24 H SER 24 9.064 -3.389 -2.474 174 HA SER 24 HA SER 24 8.879 -6.128 -3.167 175 1HB SER 24 2HB SER 24 10.440 -4.878 -0.866 176 2HB SER 24 3HB SER 24 10.670 -6.505 -1.541 177 HG SER 24 HG SER 24 11.076 -4.009 -2.807 178 H SER 25 H SER 25 8.247 -4.579 0.017 179 HA SER 25 HA SER 25 7.576 -6.832 1.513 180 1HB SER 25 2HB SER 25 7.988 -4.590 2.435 181 2HB SER 25 3HB SER 25 6.477 -4.003 1.716 182 HG SER 25 HG SER 25 6.740 -6.027 3.704 183 H LEU 26 H LEU 26 5.407 -4.672 -0.376 184 HA LEU 26 HA LEU 26 3.034 -6.142 0.241 185 1HB LEU 26 2HB LEU 26 3.814 -4.192 -1.928 186 2HB LEU 26 3HB LEU 26 2.181 -4.822 -1.810 187 HG LEU 26 HG LEU 26 3.596 -3.421 0.470 188 1HD1 LEU 26 1HD1 LEU 26 2.306 -1.427 -0.187 189 2HD1 LEU 26 2HD1 LEU 26 3.335 -1.996 -1.528 190 3HD1 LEU 26 3HD1 LEU 26 1.594 -2.344 -1.539 191 1HD2 LEU 26 1HD2 LEU 26 0.663 -4.108 0.124 192 2HD2 LEU 26 2HD2 LEU 26 1.781 -4.757 1.343 193 3HD2 LEU 26 3HD2 LEU 26 1.332 -3.056 1.384 194 H THR 27 H THR 27 5.109 -6.187 -2.727 195 HA THR 27 HA THR 27 3.464 -7.992 -4.110 196 HB THR 27 HB THR 27 5.565 -8.651 -5.371 197 HG1 THR 27 1HG THR 27 6.700 -6.621 -3.740 198 1HG2 THR 27 1HG2 THR 27 5.789 -6.451 -6.452 199 2HG2 THR 27 2HG2 THR 27 4.088 -6.856 -6.152 200 3HG2 THR 27 3HG2 THR 27 4.921 -5.690 -5.107 201 H LYS 28 H LYS 28 5.773 -8.669 -1.504 202 HA LYS 28 HA LYS 28 5.956 -11.476 -1.852 203 1HB LYS 28 2HB LYS 28 5.680 -10.270 0.910 204 2HB LYS 28 3HB LYS 28 6.601 -11.677 0.365 205 1HG LYS 28 2HG LYS 28 7.817 -9.670 -1.081 206 2HG LYS 28 3HG LYS 28 7.252 -8.782 0.326 207 1HD LYS 28 2HD LYS 28 8.984 -11.277 0.449 208 2HD LYS 28 3HD LYS 28 9.561 -9.608 0.612 209 1HE LYS 28 2HE LYS 28 8.093 -9.284 2.610 210 2HE LYS 28 3HE LYS 28 7.529 -10.955 2.476 211 1HZ LYS 28 1HZ LYS 28 10.308 -10.139 3.000 212 2HZ LYS 28 2HZ LYS 28 9.248 -10.746 4.098 213 3HZ LYS 28 3HZ LYS 28 9.775 -11.692 2.865 214 H HIS 29 H HIS 29 3.279 -9.501 -0.476 215 HA HIS 29 HA HIS 29 2.171 -11.871 0.805 216 1HB HIS 29 2HB HIS 29 0.769 -10.592 1.987 217 2HB HIS 29 3HB HIS 29 2.172 -9.553 1.813 218 HD1 HIS 29 1HD HIS 29 -1.278 -9.997 0.052 219 HD2 HIS 29 2HD HIS 29 1.369 -7.133 1.616 220 HE1 HIS 29 1HE HIS 29 -2.490 -7.755 -0.040 221 H ARG 30 H ARG 30 0.910 -13.276 -0.144 222 HA ARG 30 HA ARG 30 -0.231 -12.976 -2.757 223 1HB ARG 30 2HB ARG 30 -0.848 -14.850 -0.434 224 2HB ARG 30 3HB ARG 30 -1.623 -14.975 -2.023 225 1HG ARG 30 2HG ARG 30 0.487 -15.321 -3.142 226 2HG ARG 30 3HG ARG 30 1.404 -15.000 -1.666 227 1HD ARG 30 2HD ARG 30 0.418 -17.048 -0.606 228 2HD ARG 30 3HD ARG 30 -0.574 -17.294 -2.039 229 HE ARG 30 HE ARG 30 1.146 -18.278 -3.119 230 1HH1 ARG 30 2HH2 ARG 30 2.511 -16.380 -0.489 231 2HH1 ARG 30 1HH2 ARG 30 4.145 -16.923 -0.705 232 1HH2 ARG 30 2HH1 ARG 30 3.301 -19.042 -3.452 233 2HH2 ARG 30 1HH1 ARG 30 4.594 -18.495 -2.437 234 H GLY 31 H GLY 31 -2.526 -12.814 -3.270 235 1HA GLY 31 2HA GLY 31 -4.620 -11.938 -3.033 236 2HA GLY 31 1HA GLY 31 -4.355 -11.599 -1.325 237 H ILE 32 H ILE 32 -1.635 -10.096 -2.425 238 HA ILE 32 HA ILE 32 -3.023 -7.748 -3.493 239 HB ILE 32 HB ILE 32 -0.485 -8.032 -2.183 240 1HG1 ILE 32 2HG1 ILE 32 -1.824 -5.767 -3.690 241 2HG1 ILE 32 3HG1 ILE 32 -2.191 -6.305 -2.031 242 1HG2 ILE 32 1HG2 ILE 32 0.591 -8.600 -4.332 243 2HG2 ILE 32 2HG2 ILE 32 -0.084 -7.109 -5.047 244 3HG2 ILE 32 3HG2 ILE 32 1.080 -7.035 -3.713 245 1HD1 ILE 32 1HD1 ILE 32 0.282 -5.901 -1.512 246 2HD1 ILE 32 2HD1 ILE 32 0.320 -4.984 -3.048 247 3HD1 ILE 32 3HD1 ILE 32 -0.748 -4.478 -1.724 248 H LEU 33 H LEU 33 -3.495 -7.568 -5.541 249 HA LEU 33 HA LEU 33 -2.596 -9.554 -7.538 250 1HB LEU 33 2HB LEU 33 -4.390 -7.090 -7.730 251 2HB LEU 33 3HB LEU 33 -4.073 -8.247 -9.023 252 HG LEU 33 HG LEU 33 -5.394 -9.025 -6.390 253 1HD1 LEU 33 1HD1 LEU 33 -6.660 -8.361 -9.080 254 2HD1 LEU 33 2HD1 LEU 33 -7.506 -8.981 -7.646 255 3HD1 LEU 33 3HD1 LEU 33 -6.766 -7.372 -7.606 256 1HD2 LEU 33 1HD2 LEU 33 -4.385 -10.944 -7.519 257 2HD2 LEU 33 2HD2 LEU 33 -6.125 -10.997 -7.803 258 3HD2 LEU 33 3HD2 LEU 33 -5.051 -10.428 -9.088 259 H TYR 34 H TYR 34 -2.309 -6.071 -6.646 260 HA TYR 34 HA TYR 34 0.345 -5.985 -7.867 261 1HB TYR 34 2HB TYR 34 -1.159 -5.578 -9.804 262 2HB TYR 34 3HB TYR 34 -1.958 -4.291 -8.916 263 HD1 TYR 34 HD1 TYR 34 1.361 -5.331 -10.299 264 HD2 TYR 34 HD2 TYR 34 -1.173 -2.055 -9.106 265 HE1 TYR 34 HE1 TYR 34 2.911 -3.724 -11.392 266 HE2 TYR 34 HE2 TYR 34 0.356 -0.461 -10.219 267 HH TYR 34 HH TYR 34 2.292 -0.208 -11.471 268 H CYS 35 H CYS 35 1.491 -4.062 -7.246 269 HA CYS 35 HA CYS 35 0.028 -2.028 -5.793 270 1HB CYS 35 2HB CYS 35 2.005 -1.513 -4.348 271 2HB CYS 35 3HB CYS 35 1.259 -2.992 -3.845 272 HG CYS 35 HG CYS 35 3.803 -3.221 -3.670 273 H SER 36 H SER 36 0.977 0.046 -6.253 274 HA SER 36 HA SER 36 3.733 -0.124 -6.630 275 1HB SER 36 2HB SER 36 3.320 -0.141 -9.036 276 2HB SER 36 3HB SER 36 2.315 1.323 -8.905 277 HG SER 36 HG SER 36 5.011 1.262 -7.991 278 H VAL 37 H VAL 37 4.755 1.711 -5.752 279 HA VAL 37 HA VAL 37 2.893 3.706 -4.578 280 HB VAL 37 HB VAL 37 4.117 1.925 -3.160 281 1HG1 VAL 37 1HG1 VAL 37 6.469 3.809 -3.489 282 2HG1 VAL 37 2HG1 VAL 37 6.387 2.261 -2.628 283 3HG1 VAL 37 3HG1 VAL 37 6.311 2.279 -4.391 284 1HG2 VAL 37 1HG2 VAL 37 4.580 3.508 -1.358 285 2HG2 VAL 37 2HG2 VAL 37 4.391 4.870 -2.490 286 3HG2 VAL 37 3HG2 VAL 37 3.037 3.775 -2.144 287 H ALA 38 H ALA 38 3.516 5.885 -4.476 288 HA ALA 38 HA ALA 38 5.893 6.657 -6.086 289 1HB ALA 38 1HB ALA 38 3.101 7.760 -6.553 290 2HB ALA 38 2HB ALA 38 4.621 8.320 -7.295 291 3HB ALA 38 3HB ALA 38 4.006 6.689 -7.656 292 H LEU 39 H LEU 39 6.926 8.297 -5.349 293 HA LEU 39 HA LEU 39 6.403 9.541 -2.797 294 1HB LEU 39 2HB LEU 39 8.289 10.407 -5.031 295 2HB LEU 39 3HB LEU 39 8.351 10.918 -3.343 296 HG LEU 39 HG LEU 39 8.876 8.094 -4.389 297 1HD1 LEU 39 1HD1 LEU 39 10.645 9.749 -4.898 298 2HD1 LEU 39 2HD1 LEU 39 10.735 10.178 -3.176 299 3HD1 LEU 39 3HD1 LEU 39 11.182 8.543 -3.719 300 1HD2 LEU 39 1HD2 LEU 39 9.649 7.689 -2.013 301 2HD2 LEU 39 2HD2 LEU 39 8.889 9.229 -1.558 302 3HD2 LEU 39 3HD2 LEU 39 7.907 7.892 -2.192 303 H ALA 40 H ALA 40 5.878 10.402 -6.169 304 HA ALA 40 HA ALA 40 5.594 13.049 -6.288 305 1HB ALA 40 1HB ALA 40 5.258 11.519 -8.182 306 2HB ALA 40 2HB ALA 40 3.668 11.045 -7.538 307 3HB ALA 40 3HB ALA 40 3.947 12.711 -8.091 308 H THR 41 H THR 41 3.097 10.950 -4.849 309 HA THR 41 HA THR 41 2.067 13.296 -3.414 310 HB THR 41 HB THR 41 0.794 13.200 -5.447 311 HG1 THR 41 1HG THR 41 -1.246 13.319 -4.438 312 1HG2 THR 41 1HG2 THR 41 -0.391 10.564 -4.516 313 2HG2 THR 41 2HG2 THR 41 -0.829 11.474 -5.967 314 3HG2 THR 41 3HG2 THR 41 0.774 10.726 -5.849 315 H ASN 42 H ASN 42 3.737 11.309 -2.776 316 HA ASN 42 HA ASN 42 4.176 9.455 -1.451 317 1HB ASN 42 2HB ASN 42 2.544 11.210 0.415 318 2HB ASN 42 3HB ASN 42 3.787 10.050 0.895 319 1HD2 ASN 42 1HD2 ASN 42 6.037 10.781 0.911 320 2HD2 ASN 42 2HD2 ASN 42 6.436 12.368 0.308 321 H LYS 43 H LYS 43 2.495 8.165 -2.898 322 HA LYS 43 HA LYS 43 0.451 7.007 -1.079 323 1HB LYS 43 2HB LYS 43 -1.305 7.897 -2.100 324 2HB LYS 43 3HB LYS 43 -0.239 8.874 -3.074 325 1HG LYS 43 2HG LYS 43 -1.331 6.115 -3.788 326 2HG LYS 43 3HG LYS 43 -1.935 7.656 -4.330 327 1HD LYS 43 2HD LYS 43 0.852 7.746 -4.920 328 2HD LYS 43 3HD LYS 43 0.349 6.092 -5.339 329 1HE LYS 43 2HE LYS 43 -1.360 8.414 -6.276 330 2HE LYS 43 3HE LYS 43 0.177 8.129 -7.061 331 1HZ LYS 43 1HZ LYS 43 -1.595 5.883 -6.548 332 2HZ LYS 43 2HZ LYS 43 -2.069 6.768 -7.744 333 3HZ LYS 43 3HZ LYS 43 -0.563 6.041 -7.825 334 H ALA 44 H ALA 44 -0.392 5.048 -1.564 335 HA ALA 44 HA ALA 44 1.202 3.349 -3.419 336 1HB ALA 44 1HB ALA 44 -0.134 2.367 -0.898 337 2HB ALA 44 2HB ALA 44 1.163 1.632 -1.885 338 3HB ALA 44 3HB ALA 44 1.497 3.019 -0.842 339 H HIS 45 H HIS 45 -0.011 2.687 -5.166 340 HA HIS 45 HA HIS 45 -2.906 2.608 -5.026 341 1HB HIS 45 2HB HIS 45 -1.504 3.632 -6.923 342 2HB HIS 45 3HB HIS 45 -0.866 2.028 -7.255 343 HD1 HIS 45 1HD HIS 45 -3.597 4.257 -8.183 344 HD2 HIS 45 2HD HIS 45 -3.307 0.231 -7.107 345 HE1 HIS 45 1HE HIS 45 -5.797 3.236 -8.680 346 H ILE 46 H ILE 46 -3.333 0.741 -3.772 347 HA ILE 46 HA ILE 46 -1.804 -1.760 -4.446 348 HB ILE 46 HB ILE 46 -3.425 -1.037 -1.995 349 1HG1 ILE 46 2HG1 ILE 46 -1.420 -1.921 -0.823 350 2HG1 ILE 46 3HG1 ILE 46 -0.642 -2.263 -2.374 351 1HG2 ILE 46 1HG2 ILE 46 -4.198 -3.226 -2.643 352 2HG2 ILE 46 2HG2 ILE 46 -2.558 -3.754 -3.023 353 3HG2 ILE 46 3HG2 ILE 46 -3.033 -3.459 -1.341 354 1HD1 ILE 46 1HD1 ILE 46 -1.457 0.535 -1.552 355 2HD1 ILE 46 2HD1 ILE 46 0.100 -0.203 -1.115 356 3HD1 ILE 46 3HD1 ILE 46 -0.311 0.037 -2.826 357 H LYS 47 H LYS 47 -2.913 -3.436 -5.312 358 HA LYS 47 HA LYS 47 -5.845 -3.200 -5.745 359 1HB LYS 47 2HB LYS 47 -3.851 -4.391 -7.700 360 2HB LYS 47 3HB LYS 47 -5.586 -4.140 -7.904 361 1HG LYS 47 2HG LYS 47 -5.079 -1.601 -7.665 362 2HG LYS 47 3HG LYS 47 -3.368 -1.997 -7.790 363 1HD LYS 47 2HD LYS 47 -3.722 -3.085 -9.971 364 2HD LYS 47 3HD LYS 47 -5.478 -2.949 -9.808 365 1HE LYS 47 2HE LYS 47 -5.338 -0.490 -9.882 366 2HE LYS 47 3HE LYS 47 -3.574 -0.578 -10.061 367 1HZ LYS 47 1HZ LYS 47 -3.932 -1.753 -12.133 368 2HZ LYS 47 2HZ LYS 47 -5.564 -1.681 -11.939 369 3HZ LYS 47 3HZ LYS 47 -4.701 -0.297 -12.160 370 H TYR 48 H TYR 48 -6.645 -4.772 -4.395 371 HA TYR 48 HA TYR 48 -5.140 -7.339 -4.182 372 1HB TYR 48 2HB TYR 48 -5.552 -7.418 -1.810 373 2HB TYR 48 3HB TYR 48 -4.759 -5.903 -2.179 374 HD1 TYR 48 HD1 TYR 48 -7.704 -7.499 -0.727 375 HD2 TYR 48 HD2 TYR 48 -6.184 -3.770 -2.250 376 HE1 TYR 48 HE1 TYR 48 -9.234 -6.244 0.765 377 HE2 TYR 48 HE2 TYR 48 -7.606 -2.540 -0.706 378 HH TYR 48 HH TYR 48 -9.376 -2.679 0.776 379 H ASP 49 H ASP 49 -6.538 -9.081 -3.168 380 HA ASP 49 HA ASP 49 -9.180 -9.146 -4.523 381 1HB ASP 49 2HB ASP 49 -7.583 -11.256 -3.058 382 2HB ASP 49 3HB ASP 49 -9.134 -11.499 -3.894 383 HA PRO 50 HA PRO 50 -10.366 -7.934 -0.266 384 1HB PRO 50 2HB PRO 50 -12.687 -6.612 -0.707 385 2HB PRO 50 3HB PRO 50 -11.127 -5.985 -1.299 386 1HG PRO 50 2HG PRO 50 -13.103 -7.674 -2.857 387 2HG PRO 50 3HG PRO 50 -12.445 -6.077 -3.331 388 1HD PRO 50 2HD PRO 50 -11.287 -8.357 -4.234 389 2HD PRO 50 3HD PRO 50 -10.297 -6.975 -3.692 390 H GLU 51 H GLU 51 -10.537 -10.552 -0.587 391 HA GLU 51 HA GLU 51 -12.875 -11.147 1.115 392 1HB GLU 51 2HB GLU 51 -12.688 -13.508 -0.181 393 2HB GLU 51 3HB GLU 51 -13.845 -12.263 -0.606 394 1HG GLU 51 2HG GLU 51 -11.152 -12.212 -2.037 395 2HG GLU 51 3HG GLU 51 -12.338 -13.427 -2.444 396 H ILE 52 H ILE 52 -10.089 -12.738 -0.440 397 HA ILE 52 HA ILE 52 -9.362 -14.254 1.868 398 HB ILE 52 HB ILE 52 -7.250 -14.666 0.595 399 1HG1 ILE 52 2HG1 ILE 52 -8.550 -13.136 -1.698 400 2HG1 ILE 52 3HG1 ILE 52 -7.298 -12.433 -0.664 401 1HG2 ILE 52 1HG2 ILE 52 -8.378 -16.087 -1.072 402 2HG2 ILE 52 2HG2 ILE 52 -9.304 -16.073 0.427 403 3HG2 ILE 52 3HG2 ILE 52 -9.848 -15.102 -0.954 404 1HD1 ILE 52 1HD1 ILE 52 -6.356 -13.340 -2.731 405 2HD1 ILE 52 2HD1 ILE 52 -5.712 -14.179 -1.307 406 3HD1 ILE 52 3HD1 ILE 52 -6.942 -14.953 -2.337 407 H ILE 53 H ILE 53 -8.541 -10.969 0.940 408 HA ILE 53 HA ILE 53 -7.117 -10.672 3.498 409 HB ILE 53 HB ILE 53 -5.443 -11.269 1.694 410 1HG1 ILE 53 2HG1 ILE 53 -5.072 -8.451 2.729 411 2HG1 ILE 53 3HG1 ILE 53 -5.036 -9.892 3.779 412 1HG2 ILE 53 1HG2 ILE 53 -4.882 -9.647 -0.040 413 2HG2 ILE 53 2HG2 ILE 53 -6.592 -10.043 -0.198 414 3HG2 ILE 53 3HG2 ILE 53 -6.094 -8.515 0.560 415 1HD1 ILE 53 1HD1 ILE 53 -3.219 -9.576 1.404 416 2HD1 ILE 53 2HD1 ILE 53 -2.768 -9.160 3.072 417 3HD1 ILE 53 3HD1 ILE 53 -3.177 -10.842 2.642 418 H GLY 54 H GLY 54 -7.132 -8.419 4.251 419 1HA GLY 54 2HA GLY 54 -9.402 -6.904 3.022 420 2HA GLY 54 1HA GLY 54 -8.987 -7.054 4.735 421 HA PRO 55 HA PRO 55 -6.849 -3.214 3.103 422 1HB PRO 55 2HB PRO 55 -8.142 -1.381 4.676 423 2HB PRO 55 3HB PRO 55 -8.741 -1.891 3.076 424 1HG PRO 55 2HG PRO 55 -9.635 -2.895 5.783 425 2HG PRO 55 3HG PRO 55 -10.650 -2.407 4.399 426 1HD PRO 55 2HD PRO 55 -10.044 -5.022 4.922 427 2HD PRO 55 3HD PRO 55 -10.221 -4.427 3.253 428 H ARG 56 H ARG 56 -8.003 -4.364 6.255 429 HA ARG 56 HA ARG 56 -6.243 -3.192 8.054 430 1HB ARG 56 2HB ARG 56 -7.345 -6.037 8.002 431 2HB ARG 56 3HB ARG 56 -6.551 -5.282 9.393 432 1HG ARG 56 2HG ARG 56 -8.276 -3.518 9.463 433 2HG ARG 56 3HG ARG 56 -9.110 -4.255 8.077 434 1HD ARG 56 2HD ARG 56 -9.411 -6.346 9.347 435 2HD ARG 56 3HD ARG 56 -8.570 -5.625 10.745 436 HE ARG 56 HE ARG 56 -10.689 -3.899 10.044 437 1HH1 ARG 56 2HH2 ARG 56 -10.239 -7.153 11.302 438 2HH1 ARG 56 1HH2 ARG 56 -11.721 -7.206 12.204 439 1HH2 ARG 56 2HH1 ARG 56 -12.686 -3.908 11.229 440 2HH2 ARG 56 1HH1 ARG 56 -13.147 -5.298 12.155 441 H ASP 57 H ASP 57 -5.725 -6.276 6.192 442 HA ASP 57 HA ASP 57 -3.308 -6.934 7.337 443 1HB ASP 57 2HB ASP 57 -4.125 -7.457 4.474 444 2HB ASP 57 3HB ASP 57 -3.088 -8.462 5.499 445 H ILE 58 H ILE 58 -3.884 -5.182 4.272 446 HA ILE 58 HA ILE 58 -1.207 -4.570 3.561 447 HB ILE 58 HB ILE 58 -3.771 -2.967 3.184 448 1HG1 ILE 58 2HG1 ILE 58 -2.428 -4.595 1.023 449 2HG1 ILE 58 3HG1 ILE 58 -3.519 -5.397 2.158 450 1HG2 ILE 58 1HG2 ILE 58 -1.869 -1.483 2.858 451 2HG2 ILE 58 2HG2 ILE 58 -1.065 -2.678 1.819 452 3HG2 ILE 58 3HG2 ILE 58 -2.546 -1.864 1.288 453 1HD1 ILE 58 1HD1 ILE 58 -4.325 -2.918 0.585 454 2HD1 ILE 58 2HD1 ILE 58 -4.708 -4.604 0.146 455 3HD1 ILE 58 3HD1 ILE 58 -5.330 -3.901 1.652 456 H ILE 59 H ILE 59 -3.626 -2.736 5.481 457 HA ILE 59 HA ILE 59 -2.013 -0.539 5.940 458 HB ILE 59 HB ILE 59 -4.428 -1.681 7.290 459 1HG1 ILE 59 2HG1 ILE 59 -4.006 1.054 6.018 460 2HG1 ILE 59 3HG1 ILE 59 -4.351 -0.391 5.066 461 1HG2 ILE 59 1HG2 ILE 59 -3.352 -0.801 9.222 462 2HG2 ILE 59 2HG2 ILE 59 -2.867 0.684 8.387 463 3HG2 ILE 59 3HG2 ILE 59 -4.572 0.370 8.754 464 1HD1 ILE 59 1HD1 ILE 59 -6.116 0.829 7.210 465 2HD1 ILE 59 2HD1 ILE 59 -6.409 0.729 5.464 466 3HD1 ILE 59 3HD1 ILE 59 -6.405 -0.756 6.449 467 H HIS 60 H HIS 60 -2.374 -3.446 8.064 468 HA HIS 60 HA HIS 60 -0.584 -2.318 10.015 469 1HB HIS 60 2HB HIS 60 -0.646 -4.379 11.167 470 2HB HIS 60 3HB HIS 60 -2.265 -3.920 10.655 471 HD1 HIS 60 1HD HIS 60 0.374 -6.127 8.754 472 HD2 HIS 60 2HD HIS 60 -3.409 -6.233 10.594 473 HE1 HIS 60 1HE HIS 60 -0.499 -8.496 8.489 474 H THR 61 H THR 61 -0.162 -4.284 7.125 475 HA THR 61 HA THR 61 2.601 -4.977 7.582 476 HB THR 61 HB THR 61 1.018 -4.530 5.029 477 HG1 THR 61 1HG THR 61 0.171 -6.182 6.128 478 1HG2 THR 61 1HG2 THR 61 3.458 -4.443 4.530 479 2HG2 THR 61 2HG2 THR 61 3.703 -5.931 5.473 480 3HG2 THR 61 3HG2 THR 61 2.757 -5.970 3.971 481 H ILE 62 H ILE 62 1.017 -2.092 6.097 482 HA ILE 62 HA ILE 62 3.538 -0.784 5.569 483 HB ILE 62 HB ILE 62 0.683 0.214 5.612 484 1HG1 ILE 62 2HG1 ILE 62 2.639 -0.368 3.321 485 2HG1 ILE 62 3HG1 ILE 62 1.409 -1.507 3.867 486 1HG2 ILE 62 1HG2 ILE 62 2.241 2.093 6.076 487 2HG2 ILE 62 2HG2 ILE 62 3.218 1.616 4.669 488 3HG2 ILE 62 3HG2 ILE 62 1.568 2.225 4.463 489 1HD1 ILE 62 1HD1 ILE 62 0.526 -0.410 1.964 490 2HD1 ILE 62 2HD1 ILE 62 -0.349 0.209 3.382 491 3HD1 ILE 62 3HD1 ILE 62 0.906 1.196 2.594 492 H GLU 63 H GLU 63 1.251 -0.639 8.355 493 HA GLU 63 HA GLU 63 2.651 1.304 9.873 494 1HB GLU 63 2HB GLU 63 1.258 -1.236 10.829 495 2HB GLU 63 3HB GLU 63 1.829 0.061 11.865 496 1HG GLU 63 2HG GLU 63 0.306 1.663 10.852 497 2HG GLU 63 3HG GLU 63 -0.272 0.457 9.698 498 H SER 64 H SER 64 3.235 -2.225 9.490 499 HA SER 64 HA SER 64 5.441 -2.349 11.266 500 1HB SER 64 2HB SER 64 5.033 -4.104 8.811 501 2HB SER 64 3HB SER 64 6.008 -4.449 10.240 502 HG SER 64 HG SER 64 3.184 -4.036 10.243 503 H LEU 65 H LEU 65 5.345 -1.513 7.776 504 HA LEU 65 HA LEU 65 8.226 -1.154 7.537 505 1HB LEU 65 2HB LEU 65 5.991 0.221 5.996 506 2HB LEU 65 3HB LEU 65 7.704 0.206 5.575 507 HG LEU 65 HG LEU 65 5.894 -2.249 5.670 508 1HD1 LEU 65 1HD1 LEU 65 7.119 -0.754 3.324 509 2HD1 LEU 65 2HD1 LEU 65 6.078 -2.197 3.245 510 3HD1 LEU 65 3HD1 LEU 65 5.414 -0.660 3.819 511 1HD2 LEU 65 1HD2 LEU 65 8.816 -1.939 4.845 512 2HD2 LEU 65 2HD2 LEU 65 8.188 -2.926 6.188 513 3HD2 LEU 65 3HD2 LEU 65 7.816 -3.370 4.524 514 H GLY 66 H GLY 66 5.554 0.969 8.520 515 1HA GLY 66 2HA GLY 66 5.910 2.447 10.379 516 2HA GLY 66 1HA GLY 66 7.545 2.791 9.823 517 H PHE 67 H PHE 67 4.381 2.754 8.073 518 HA PHE 67 HA PHE 67 4.560 5.711 7.738 519 1HB PHE 67 2HB PHE 67 3.707 3.864 5.499 520 2HB PHE 67 3HB PHE 67 4.013 5.589 5.417 521 HD1 PHE 67 1HD PHE 67 6.599 6.129 6.389 522 HD2 PHE 67 2HD PHE 67 5.311 2.521 4.410 523 HE1 PHE 67 1HE PHE 67 8.927 5.686 5.666 524 HE2 PHE 67 2HE PHE 67 7.646 2.057 3.747 525 HZ PHE 67 HZ PHE 67 9.456 3.647 4.358 526 H GLU 68 H GLU 68 2.421 6.624 7.189 527 HA GLU 68 HA GLU 68 0.215 5.180 8.571 528 1HB GLU 68 2HB GLU 68 0.876 8.026 7.955 529 2HB GLU 68 3HB GLU 68 -0.826 7.571 8.094 530 1HG GLU 68 2HG GLU 68 1.101 6.750 10.279 531 2HG GLU 68 3HG GLU 68 0.417 8.384 10.227 532 HA PRO 69 HA PRO 69 -1.184 4.683 4.182 533 1HB PRO 69 2HB PRO 69 -2.584 2.379 4.446 534 2HB PRO 69 3HB PRO 69 -0.798 2.399 4.470 535 1HG PRO 69 2HG PRO 69 -2.658 2.421 6.864 536 2HG PRO 69 3HG PRO 69 -1.285 1.311 6.549 537 1HD PRO 69 2HD PRO 69 -1.076 3.498 8.116 538 2HD PRO 69 3HD PRO 69 0.258 2.966 7.046 539 H SER 70 H SER 70 -2.370 6.685 4.606 540 HA SER 70 HA SER 70 -5.063 6.525 5.802 541 1HB SER 70 2HB SER 70 -3.600 8.689 4.241 542 2HB SER 70 3HB SER 70 -5.201 8.878 4.982 543 HG SER 70 HG SER 70 -3.144 7.843 6.576 544 H LEU 71 H LEU 71 -6.544 5.338 4.633 545 HA LEU 71 HA LEU 71 -6.551 5.186 1.740 546 1HB LEU 71 2HB LEU 71 -8.628 3.961 2.018 547 2HB LEU 71 3HB LEU 71 -7.308 3.308 2.974 548 HG LEU 71 HG LEU 71 -8.949 5.269 4.489 549 1HD1 LEU 71 1HD1 LEU 71 -10.240 2.686 3.517 550 2HD1 LEU 71 2HD1 LEU 71 -10.889 3.775 4.763 551 3HD1 LEU 71 3HD1 LEU 71 -10.746 4.335 3.088 552 1HD2 LEU 71 1HD2 LEU 71 -7.248 3.710 5.513 553 2HD2 LEU 71 2HD2 LEU 71 -8.871 3.517 6.194 554 3HD2 LEU 71 3HD2 LEU 71 -8.260 2.343 5.013 555 H VAL 72 H VAL 72 -6.407 7.723 1.852 556 HA VAL 72 HA VAL 72 -9.125 8.915 1.617 557 HB VAL 72 HB VAL 72 -7.717 9.789 3.345 558 1HG1 VAL 72 1HG1 VAL 72 -5.764 11.158 2.977 559 2HG1 VAL 72 2HG1 VAL 72 -5.455 9.549 2.320 560 3HG1 VAL 72 3HG1 VAL 72 -5.829 10.900 1.231 561 1HG2 VAL 72 1HG2 VAL 72 -8.260 11.828 1.153 562 2HG2 VAL 72 2HG2 VAL 72 -9.427 11.211 2.340 563 3HG2 VAL 72 3HG2 VAL 72 -8.039 12.167 2.878 564 H LYS 73 H LYS 73 -8.562 7.318 -0.272 565 HA LYS 73 HA LYS 73 -7.045 7.937 -2.448 566 1HB LYS 73 2HB LYS 73 -8.594 6.644 -3.827 567 2HB LYS 73 3HB LYS 73 -8.163 5.842 -2.324 568 1HG LYS 73 2HG LYS 73 -10.872 7.131 -2.927 569 2HG LYS 73 3HG LYS 73 -10.431 5.453 -3.063 570 1HD LYS 73 2HD LYS 73 -11.340 5.208 -1.056 571 2HD LYS 73 3HD LYS 73 -9.779 5.750 -0.450 572 1HE LYS 73 2HE LYS 73 -10.785 8.138 -0.503 573 2HE LYS 73 3HE LYS 73 -12.332 7.406 -0.937 574 1HZ LYS 73 1HZ LYS 73 -10.834 6.999 1.568 575 2HZ LYS 73 2HZ LYS 73 -12.127 7.993 1.302 576 3HZ LYS 73 3HZ LYS 73 -12.339 6.370 1.213 577 H ILE 74 H ILE 74 -10.249 8.883 -2.105 578 HA ILE 74 HA ILE 74 -9.882 11.606 -2.389 579 HB ILE 74 HB ILE 74 -9.810 11.261 -4.809 580 1HG1 ILE 74 2HG1 ILE 74 -12.483 12.484 -4.006 581 2HG1 ILE 74 3HG1 ILE 74 -10.906 13.261 -3.786 582 1HG2 ILE 74 1HG2 ILE 74 -11.137 9.116 -4.900 583 2HG2 ILE 74 2HG2 ILE 74 -12.616 10.075 -4.678 584 3HG2 ILE 74 3HG2 ILE 74 -11.602 10.304 -6.113 585 1HD1 ILE 74 1HD1 ILE 74 -10.509 13.123 -6.249 586 2HD1 ILE 74 2HD1 ILE 74 -12.161 12.487 -6.450 587 3HD1 ILE 74 3HD1 ILE 74 -11.911 14.115 -5.802 588 H GLU 75 H GLU 75 -11.455 12.364 -0.989 589 HA GLU 75 HA GLU 75 -12.872 12.151 0.743 590 1HB GLU 75 2HB GLU 75 -14.566 10.371 -1.063 591 2HB GLU 75 3HB GLU 75 -15.069 11.148 0.438 592 1HG GLU 75 2HG GLU 75 -14.655 13.389 -0.587 593 2HG GLU 75 3HG GLU 75 -14.209 12.601 -2.112 Start of MODEL 21 1 1H MET 1 H1 MET 1 -12.860 -10.920 -5.263 2 2H MET 1 H2 MET 1 -12.883 -12.353 -5.878 3 3H MET 1 H3 MET 1 -11.678 -11.329 -6.344 4 HA MET 1 HA MET 1 -13.418 -11.692 -8.045 5 1HB MET 1 2HB MET 1 -15.194 -11.924 -6.269 6 2HB MET 1 3HB MET 1 -15.208 -10.165 -6.116 7 1HG MET 1 2HG MET 1 -15.906 -10.004 -8.514 8 2HG MET 1 3HG MET 1 -15.815 -11.768 -8.642 9 1HE MET 1 1HE MET 1 -19.642 -10.994 -8.897 10 2HE MET 1 2HE MET 1 -18.310 -9.989 -9.516 11 3HE MET 1 3HE MET 1 -18.241 -11.764 -9.681 12 H GLY 2 H GLY 2 -11.151 -10.161 -8.011 13 1HA GLY 2 2HA GLY 2 -10.912 -8.885 -10.034 14 2HA GLY 2 1HA GLY 2 -12.296 -7.876 -9.612 15 H ASP 3 H ASP 3 -9.807 -6.757 -10.338 16 HA ASP 3 HA ASP 3 -8.124 -6.273 -8.058 17 1HB ASP 3 2HB ASP 3 -7.002 -4.735 -9.663 18 2HB ASP 3 3HB ASP 3 -7.153 -6.396 -10.247 19 H GLY 4 H GLY 4 -9.064 -5.230 -6.393 20 1HA GLY 4 2HA GLY 4 -10.673 -2.832 -6.605 21 2HA GLY 4 1HA GLY 4 -9.746 -3.387 -5.195 22 H VAL 5 H VAL 5 -9.729 -0.703 -5.667 23 HA VAL 5 HA VAL 5 -6.908 -0.182 -6.445 24 HB VAL 5 HB VAL 5 -9.257 1.542 -7.378 25 1HG1 VAL 5 1HG1 VAL 5 -6.270 1.603 -8.000 26 2HG1 VAL 5 2HG1 VAL 5 -7.499 2.688 -8.686 27 3HG1 VAL 5 3HG1 VAL 5 -7.127 2.758 -6.959 28 1HG2 VAL 5 1HG2 VAL 5 -8.602 0.785 -9.678 29 2HG2 VAL 5 2HG2 VAL 5 -7.593 -0.463 -8.915 30 3HG2 VAL 5 3HG2 VAL 5 -9.352 -0.479 -8.697 31 H LEU 6 H LEU 6 -6.280 0.165 -4.292 32 HA LEU 6 HA LEU 6 -7.768 2.340 -2.843 33 1HB LEU 6 2HB LEU 6 -6.402 -0.091 -1.689 34 2HB LEU 6 3HB LEU 6 -6.870 1.343 -0.782 35 HG LEU 6 HG LEU 6 -9.269 1.006 -1.645 36 1HD1 LEU 6 1HD1 LEU 6 -8.067 -1.684 -2.401 37 2HD1 LEU 6 2HD1 LEU 6 -9.782 -1.501 -1.979 38 3HD1 LEU 6 3HD1 LEU 6 -9.126 -0.634 -3.356 39 1HD2 LEU 6 1HD2 LEU 6 -8.017 -0.943 0.320 40 2HD2 LEU 6 2HD2 LEU 6 -8.642 0.679 0.655 41 3HD2 LEU 6 3HD2 LEU 6 -9.755 -0.603 0.170 42 H GLU 7 H GLU 7 -6.716 4.108 -2.761 43 HA GLU 7 HA GLU 7 -3.824 4.311 -3.118 44 1HB GLU 7 2HB GLU 7 -5.841 6.509 -2.664 45 2HB GLU 7 3HB GLU 7 -4.227 6.635 -3.319 46 1HG GLU 7 2HG GLU 7 -5.717 6.825 -5.200 47 2HG GLU 7 3HG GLU 7 -5.136 5.144 -5.288 48 H LEU 8 H LEU 8 -2.987 3.502 -1.184 49 HA LEU 8 HA LEU 8 -3.895 4.648 1.415 50 1HB LEU 8 2HB LEU 8 -1.854 2.535 0.685 51 2HB LEU 8 3HB LEU 8 -2.057 3.172 2.322 52 HG LEU 8 HG LEU 8 -4.438 2.106 0.782 53 1HD1 LEU 8 1HD1 LEU 8 -2.755 0.289 0.789 54 2HD1 LEU 8 2HD1 LEU 8 -2.534 0.503 2.538 55 3HD1 LEU 8 3HD1 LEU 8 -4.080 -0.097 1.897 56 1HD2 LEU 8 1HD2 LEU 8 -5.356 1.654 3.001 57 2HD2 LEU 8 2HD2 LEU 8 -3.865 2.184 3.771 58 3HD2 LEU 8 3HD2 LEU 8 -4.878 3.358 2.912 59 H VAL 9 H VAL 9 -3.292 6.655 1.620 60 HA VAL 9 HA VAL 9 -1.032 7.788 0.191 61 HB VAL 9 HB VAL 9 -2.772 9.137 2.264 62 1HG1 VAL 9 1HG1 VAL 9 -1.273 10.234 -0.163 63 2HG1 VAL 9 2HG1 VAL 9 -2.109 11.165 1.103 64 3HG1 VAL 9 3HG1 VAL 9 -0.655 10.227 1.489 65 1HG2 VAL 9 1HG2 VAL 9 -3.219 8.864 -0.744 66 2HG2 VAL 9 2HG2 VAL 9 -4.259 8.199 0.528 67 3HG2 VAL 9 3HG2 VAL 9 -4.107 9.947 0.347 68 H VAL 10 H VAL 10 1.023 7.238 1.013 69 HA VAL 10 HA VAL 10 1.223 6.251 3.776 70 HB VAL 10 HB VAL 10 3.448 5.460 2.896 71 1HG1 VAL 10 1HG1 VAL 10 1.505 4.028 3.329 72 2HG1 VAL 10 2HG1 VAL 10 0.867 4.355 1.714 73 3HG1 VAL 10 3HG1 VAL 10 2.388 3.468 1.895 74 1HG2 VAL 10 1HG2 VAL 10 3.393 6.894 0.801 75 2HG2 VAL 10 2HG2 VAL 10 3.759 5.172 0.556 76 3HG2 VAL 10 3HG2 VAL 10 2.152 5.789 0.172 77 H ARG 11 H ARG 11 1.193 8.108 4.951 78 HA ARG 11 HA ARG 11 3.016 10.300 4.318 79 1HB ARG 11 2HB ARG 11 1.541 9.917 6.936 80 2HB ARG 11 3HB ARG 11 2.116 11.406 6.188 81 1HG ARG 11 2HG ARG 11 -0.257 9.666 5.471 82 2HG ARG 11 3HG ARG 11 -0.251 11.364 5.920 83 1HD ARG 11 2HD ARG 11 0.682 10.129 3.298 84 2HD ARG 11 3HD ARG 11 -0.771 11.086 3.585 85 HE ARG 11 HE ARG 11 1.108 12.849 4.324 86 1HH1 ARG 11 2HH2 ARG 11 1.262 10.755 1.385 87 2HH1 ARG 11 1HH2 ARG 11 1.446 12.070 0.309 88 1HH2 ARG 11 2HH1 ARG 11 1.699 14.548 2.863 89 2HH2 ARG 11 1HH1 ARG 11 1.934 14.204 1.177 90 H GLY 12 H GLY 12 5.075 9.487 4.317 91 1HA GLY 12 2HA GLY 12 6.608 9.583 6.592 92 2HA GLY 12 1HA GLY 12 6.139 7.884 6.502 93 H MET 13 H MET 13 6.163 7.708 3.468 94 HA MET 13 HA MET 13 8.968 7.063 3.441 95 1HB MET 13 2HB MET 13 8.601 6.211 1.248 96 2HB MET 13 3HB MET 13 7.344 5.629 2.347 97 1HG MET 13 2HG MET 13 5.764 7.193 1.277 98 2HG MET 13 3HG MET 13 7.094 7.894 0.336 99 1HE MET 13 1HE MET 13 5.154 6.173 -2.475 100 2HE MET 13 2HE MET 13 4.542 7.026 -1.036 101 3HE MET 13 3HE MET 13 5.966 7.646 -1.890 102 H THR 14 H THR 14 10.455 7.699 1.698 103 HA THR 14 HA THR 14 10.179 10.534 0.873 104 HB THR 14 HB THR 14 10.995 10.644 3.128 105 HG1 THR 14 1HG THR 14 11.890 12.017 1.452 106 1HG2 THR 14 1HG2 THR 14 13.185 9.746 3.792 107 2HG2 THR 14 2HG2 THR 14 12.054 8.444 3.410 108 3HG2 THR 14 3HG2 THR 14 13.332 8.888 2.252 109 H CYS 15 H CYS 15 12.102 7.476 0.515 110 HA CYS 15 HA CYS 15 13.008 8.554 -2.106 111 1HB CYS 15 2HB CYS 15 15.282 8.035 -1.606 112 2HB CYS 15 3HB CYS 15 14.672 9.023 -0.284 113 H ALA 16 H ALA 16 14.266 6.818 -3.264 114 HA ALA 16 HA ALA 16 12.653 4.756 -4.096 115 1HB ALA 16 1HB ALA 16 14.683 3.783 -5.096 116 2HB ALA 16 2HB ALA 16 14.628 5.543 -5.312 117 3HB ALA 16 3HB ALA 16 15.695 4.832 -4.080 118 H SER 17 H SER 17 15.128 4.649 -1.490 119 HA SER 17 HA SER 17 15.046 1.897 -0.985 120 1HB SER 17 2HB SER 17 15.516 4.106 1.043 121 2HB SER 17 3HB SER 17 16.081 2.430 1.116 122 HG SER 17 HG SER 17 17.233 2.874 -0.872 123 H CYS 18 H CYS 18 12.816 4.500 0.064 124 HA CYS 18 HA CYS 18 11.354 2.743 1.897 125 1HB CYS 18 2HB CYS 18 10.560 5.389 0.662 126 2HB CYS 18 3HB CYS 18 9.765 4.519 1.988 127 H VAL 19 H VAL 19 10.888 4.145 -1.383 128 HA VAL 19 HA VAL 19 8.380 3.224 -2.028 129 HB VAL 19 HB VAL 19 10.874 3.463 -3.760 130 1HG1 VAL 19 1HG1 VAL 19 9.516 3.599 -5.736 131 2HG1 VAL 19 2HG1 VAL 19 9.274 2.026 -4.980 132 3HG1 VAL 19 3HG1 VAL 19 8.045 3.295 -4.818 133 1HG2 VAL 19 1HG2 VAL 19 10.114 5.525 -2.646 134 2HG2 VAL 19 2HG2 VAL 19 9.962 5.613 -4.406 135 3HG2 VAL 19 3HG2 VAL 19 8.520 5.340 -3.393 136 H HIS 20 H HIS 20 11.480 1.523 -2.728 137 HA HIS 20 HA HIS 20 10.079 -0.765 -3.634 138 1HB HIS 20 2HB HIS 20 12.156 -1.708 -4.065 139 2HB HIS 20 3HB HIS 20 12.155 0.000 -4.502 140 HD1 HIS 20 1HD HIS 20 14.825 -0.225 -4.603 141 HD2 HIS 20 2HD HIS 20 13.058 -0.822 -0.848 142 HE1 HIS 20 1HE HIS 20 16.726 -0.304 -2.901 143 H LYS 21 H LYS 21 10.841 0.211 -0.376 144 HA LYS 21 HA LYS 21 10.794 -2.503 0.728 145 1HB LYS 21 2HB LYS 21 10.485 0.248 1.991 146 2HB LYS 21 3HB LYS 21 10.237 -1.239 2.887 147 1HG LYS 21 2HG LYS 21 12.810 -0.815 1.362 148 2HG LYS 21 3HG LYS 21 12.553 -0.044 2.930 149 1HD LYS 21 2HD LYS 21 12.117 -2.280 3.941 150 2HD LYS 21 3HD LYS 21 12.414 -3.041 2.359 151 1HE LYS 21 2HE LYS 21 14.716 -2.048 2.333 152 2HE LYS 21 3HE LYS 21 14.413 -1.320 3.920 153 1HZ LYS 21 1HZ LYS 21 14.469 -4.209 3.347 154 2HZ LYS 21 2HZ LYS 21 15.648 -3.347 4.098 155 3HZ LYS 21 3HZ LYS 21 14.185 -3.531 4.824 156 H ILE 22 H ILE 22 8.495 0.273 0.340 157 HA ILE 22 HA ILE 22 6.275 -1.202 1.361 158 HB ILE 22 HB ILE 22 6.025 0.916 -0.789 159 1HG1 ILE 22 2HG1 ILE 22 6.481 1.181 2.182 160 2HG1 ILE 22 3HG1 ILE 22 7.348 1.957 0.834 161 1HG2 ILE 22 1HG2 ILE 22 3.774 1.199 0.288 162 2HG2 ILE 22 2HG2 ILE 22 3.997 -0.452 -0.267 163 3HG2 ILE 22 3HG2 ILE 22 4.186 -0.064 1.454 164 1HD1 ILE 22 1HD1 ILE 22 5.226 3.202 0.293 165 2HD1 ILE 22 2HD1 ILE 22 4.590 2.630 1.861 166 3HD1 ILE 22 3HD1 ILE 22 6.034 3.647 1.811 167 H GLU 23 H GLU 23 7.295 -0.721 -2.090 168 HA GLU 23 HA GLU 23 5.278 -2.347 -3.141 169 1HB GLU 23 2HB GLU 23 8.055 -1.742 -4.223 170 2HB GLU 23 3HB GLU 23 6.771 -2.515 -5.166 171 1HG GLU 23 2HG GLU 23 5.289 -0.614 -4.868 172 2HG GLU 23 3HG GLU 23 6.443 0.174 -3.779 173 H SER 24 H SER 24 8.665 -3.359 -2.379 174 HA SER 24 HA SER 24 8.280 -6.066 -3.141 175 1HB SER 24 2HB SER 24 10.490 -4.915 -2.839 176 2HB SER 24 3HB SER 24 10.256 -5.012 -1.082 177 HG SER 24 HG SER 24 9.948 -7.384 -1.565 178 H SER 25 H SER 25 7.790 -4.383 0.004 179 HA SER 25 HA SER 25 7.319 -6.773 1.523 180 1HB SER 25 2HB SER 25 7.871 -4.622 2.550 181 2HB SER 25 3HB SER 25 6.352 -3.921 1.971 182 HG SER 25 HG SER 25 5.233 -5.186 3.370 183 H LEU 26 H LEU 26 5.096 -4.449 -0.093 184 HA LEU 26 HA LEU 26 2.654 -5.608 0.557 185 1HB LEU 26 2HB LEU 26 3.696 -3.871 -1.649 186 2HB LEU 26 3HB LEU 26 2.191 -4.692 -1.984 187 HG LEU 26 HG LEU 26 2.081 -2.347 -0.996 188 1HD1 LEU 26 1HD1 LEU 26 0.033 -2.885 0.240 189 2HD1 LEU 26 2HD1 LEU 26 0.159 -3.805 -1.260 190 3HD1 LEU 26 3HD1 LEU 26 0.487 -4.599 0.294 191 1HD2 LEU 26 1HD2 LEU 26 2.074 -2.053 1.372 192 2HD2 LEU 26 2HD2 LEU 26 2.430 -3.748 1.698 193 3HD2 LEU 26 3HD2 LEU 26 3.656 -2.703 0.960 194 H THR 27 H THR 27 4.774 -6.504 -2.241 195 HA THR 27 HA THR 27 3.015 -8.364 -3.320 196 HB THR 27 HB THR 27 5.386 -9.460 -4.020 197 HG1 THR 27 1HG THR 27 6.497 -7.970 -2.511 198 1HG2 THR 27 1HG2 THR 27 5.437 -7.786 -5.846 199 2HG2 THR 27 2HG2 THR 27 3.787 -8.366 -5.548 200 3HG2 THR 27 3HG2 THR 27 4.293 -6.768 -4.950 201 H LYS 28 H LYS 28 4.544 -8.745 -0.212 202 HA LYS 28 HA LYS 28 4.625 -11.584 -0.075 203 1HB LYS 28 2HB LYS 28 4.626 -11.336 2.263 204 2HB LYS 28 3HB LYS 28 5.472 -9.916 1.640 205 1HG LYS 28 2HG LYS 28 3.127 -8.735 1.833 206 2HG LYS 28 3HG LYS 28 2.666 -10.110 2.834 207 1HD LYS 28 2HD LYS 28 4.955 -8.159 3.339 208 2HD LYS 28 3HD LYS 28 3.375 -8.175 4.137 209 1HE LYS 28 2HE LYS 28 3.890 -10.448 5.066 210 2HE LYS 28 3HE LYS 28 5.494 -10.373 4.312 211 1HZ LYS 28 1HZ LYS 28 5.586 -9.714 6.597 212 2HZ LYS 28 2HZ LYS 28 5.955 -8.424 5.644 213 3HZ LYS 28 3HZ LYS 28 4.478 -8.521 6.365 214 H HIS 29 H HIS 29 1.934 -9.276 -0.013 215 HA HIS 29 HA HIS 29 -0.014 -11.178 1.065 216 1HB HIS 29 2HB HIS 29 -0.272 -8.420 -0.198 217 2HB HIS 29 3HB HIS 29 -1.594 -9.342 0.503 218 HD1 HIS 29 1HD HIS 29 -1.226 -9.850 3.294 219 HD2 HIS 29 2HD HIS 29 0.839 -6.725 1.388 220 HE1 HIS 29 1HE HIS 29 -0.569 -8.193 5.111 221 H ARG 30 H ARG 30 -0.176 -12.920 -0.363 222 HA ARG 30 HA ARG 30 -0.065 -12.940 -3.112 223 1HB ARG 30 2HB ARG 30 -1.872 -14.623 -1.329 224 2HB ARG 30 3HB ARG 30 -1.504 -14.968 -3.029 225 1HG ARG 30 2HG ARG 30 0.919 -15.096 -2.490 226 2HG ARG 30 3HG ARG 30 0.553 -14.837 -0.772 227 1HD ARG 30 2HD ARG 30 -0.856 -16.869 -0.757 228 2HD ARG 30 3HD ARG 30 -0.487 -17.132 -2.482 229 HE ARG 30 HE ARG 30 1.958 -16.898 -1.065 230 1HH1 ARG 30 2HH2 ARG 30 -0.766 -19.110 -1.346 231 2HH1 ARG 30 1HH2 ARG 30 0.129 -20.547 -0.961 232 1HH2 ARG 30 2HH1 ARG 30 3.206 -18.785 -0.548 233 2HH2 ARG 30 1HH1 ARG 30 2.456 -20.345 -0.493 234 H GLY 31 H GLY 31 -2.824 -11.789 -1.216 235 1HA GLY 31 2HA GLY 31 -4.760 -11.769 -3.349 236 2HA GLY 31 1HA GLY 31 -4.811 -10.807 -1.859 237 H ILE 32 H ILE 32 -1.998 -9.609 -2.690 238 HA ILE 32 HA ILE 32 -3.145 -7.419 -4.093 239 HB ILE 32 HB ILE 32 -1.256 -7.647 -2.226 240 1HG1 ILE 32 2HG1 ILE 32 -2.440 -5.600 -3.234 241 2HG1 ILE 32 3HG1 ILE 32 -0.935 -5.458 -2.340 242 1HG2 ILE 32 1HG2 ILE 32 0.944 -7.100 -3.112 243 2HG2 ILE 32 2HG2 ILE 32 0.451 -8.720 -3.648 244 3HG2 ILE 32 3HG2 ILE 32 0.381 -7.358 -4.773 245 1HD1 ILE 32 1HD1 ILE 32 -1.030 -5.595 -5.358 246 2HD1 ILE 32 2HD1 ILE 32 -1.095 -4.065 -4.473 247 3HD1 ILE 32 3HD1 ILE 32 0.341 -5.088 -4.351 248 H LEU 33 H LEU 33 -3.187 -7.121 -6.168 249 HA LEU 33 HA LEU 33 -1.943 -9.052 -8.039 250 1HB LEU 33 2HB LEU 33 -4.097 -6.930 -8.353 251 2HB LEU 33 3HB LEU 33 -3.576 -8.058 -9.620 252 HG LEU 33 HG LEU 33 -4.847 -8.850 -6.957 253 1HD1 LEU 33 1HD1 LEU 33 -6.843 -9.364 -8.301 254 2HD1 LEU 33 2HD1 LEU 33 -6.401 -7.654 -8.393 255 3HD1 LEU 33 3HD1 LEU 33 -6.034 -8.737 -9.755 256 1HD2 LEU 33 1HD2 LEU 33 -5.135 -11.072 -8.095 257 2HD2 LEU 33 2HD2 LEU 33 -4.116 -10.484 -9.427 258 3HD2 LEU 33 3HD2 LEU 33 -3.443 -10.674 -7.790 259 H TYR 34 H TYR 34 -1.986 -5.522 -7.171 260 HA TYR 34 HA TYR 34 0.599 -5.315 -8.537 261 1HB TYR 34 2HB TYR 34 -1.065 -5.019 -10.382 262 2HB TYR 34 3HB TYR 34 -1.772 -3.679 -9.490 263 HD1 TYR 34 HD1 TYR 34 -0.684 -1.505 -9.386 264 HD2 TYR 34 HD2 TYR 34 1.195 -4.845 -11.359 265 HE1 TYR 34 HE1 TYR 34 0.989 0.024 -10.380 266 HE2 TYR 34 HE2 TYR 34 2.883 -3.306 -12.348 267 HH TYR 34 HH TYR 34 3.245 -0.051 -11.212 268 H CYS 35 H CYS 35 1.863 -4.037 -7.321 269 HA CYS 35 HA CYS 35 0.664 -1.812 -5.733 270 1HB CYS 35 2HB CYS 35 2.793 -1.826 -4.429 271 2HB CYS 35 3HB CYS 35 1.834 -3.247 -4.148 272 HG CYS 35 HG CYS 35 4.266 -4.012 -4.159 273 H SER 36 H SER 36 1.452 0.220 -6.173 274 HA SER 36 HA SER 36 4.201 0.424 -6.943 275 1HB SER 36 2HB SER 36 2.122 1.762 -8.729 276 2HB SER 36 3HB SER 36 3.842 2.206 -8.671 277 HG SER 36 HG SER 36 3.508 -0.471 -8.973 278 H VAL 37 H VAL 37 5.059 2.273 -5.874 279 HA VAL 37 HA VAL 37 3.039 4.133 -4.715 280 HB VAL 37 HB VAL 37 4.054 4.057 -2.596 281 1HG1 VAL 37 1HG1 VAL 37 2.803 1.863 -3.258 282 2HG1 VAL 37 2HG1 VAL 37 4.401 1.156 -3.452 283 3HG1 VAL 37 3HG1 VAL 37 3.930 1.795 -1.883 284 1HG2 VAL 37 1HG2 VAL 37 6.448 4.093 -3.234 285 2HG2 VAL 37 2HG2 VAL 37 6.107 2.782 -2.089 286 3HG2 VAL 37 3HG2 VAL 37 6.293 2.405 -3.805 287 H ALA 38 H ALA 38 3.462 6.272 -4.713 288 HA ALA 38 HA ALA 38 5.909 7.089 -6.228 289 1HB ALA 38 1HB ALA 38 4.608 8.798 -7.284 290 2HB ALA 38 2HB ALA 38 3.984 7.179 -7.682 291 3HB ALA 38 3HB ALA 38 3.112 8.203 -6.513 292 H LEU 39 H LEU 39 7.047 8.591 -5.479 293 HA LEU 39 HA LEU 39 6.835 9.565 -2.805 294 1HB LEU 39 2HB LEU 39 8.678 10.331 -5.101 295 2HB LEU 39 3HB LEU 39 8.885 10.875 -3.433 296 HG LEU 39 HG LEU 39 8.924 7.948 -4.310 297 1HD1 LEU 39 1HD1 LEU 39 10.842 9.238 -5.183 298 2HD1 LEU 39 2HD1 LEU 39 11.201 9.821 -3.543 299 3HD1 LEU 39 3HD1 LEU 39 11.342 8.090 -3.932 300 1HD2 LEU 39 1HD2 LEU 39 8.256 8.000 -2.007 301 2HD2 LEU 39 2HD2 LEU 39 9.997 7.732 -1.967 302 3HD2 LEU 39 3HD2 LEU 39 9.346 9.348 -1.636 303 H ALA 40 H ALA 40 6.373 11.181 -5.965 304 HA ALA 40 HA ALA 40 6.135 13.809 -5.170 305 1HB ALA 40 1HB ALA 40 4.413 12.354 -7.227 306 2HB ALA 40 2HB ALA 40 4.643 14.112 -7.118 307 3HB ALA 40 3HB ALA 40 6.019 13.063 -7.511 308 H THR 41 H THR 41 3.518 11.328 -5.082 309 HA THR 41 HA THR 41 1.611 13.066 -3.729 310 HB THR 41 HB THR 41 0.463 10.749 -3.698 311 HG1 THR 41 1HG THR 41 2.569 9.637 -4.239 312 1HG2 THR 41 1HG2 THR 41 1.211 12.093 -6.329 313 2HG2 THR 41 2HG2 THR 41 -0.138 10.967 -6.090 314 3HG2 THR 41 3HG2 THR 41 -0.143 12.537 -5.266 315 H ASN 42 H ASN 42 4.252 10.980 -2.787 316 HA ASN 42 HA ASN 42 4.474 9.308 -1.349 317 1HB ASN 42 2HB ASN 42 3.703 11.566 0.491 318 2HB ASN 42 3HB ASN 42 4.166 9.967 1.105 319 1HD2 ASN 42 1HD2 ASN 42 5.471 12.854 0.929 320 2HD2 ASN 42 2HD2 ASN 42 7.100 12.434 0.418 321 H LYS 43 H LYS 43 2.833 8.306 -2.618 322 HA LYS 43 HA LYS 43 0.652 7.323 -0.936 323 1HB LYS 43 2HB LYS 43 -0.403 9.143 -2.136 324 2HB LYS 43 3HB LYS 43 0.252 8.543 -3.670 325 1HG LYS 43 2HG LYS 43 -1.486 6.629 -2.157 326 2HG LYS 43 3HG LYS 43 -2.284 8.058 -2.795 327 1HD LYS 43 2HD LYS 43 -0.439 6.404 -4.562 328 2HD LYS 43 3HD LYS 43 -2.115 5.937 -4.343 329 1HE LYS 43 2HE LYS 43 -1.550 8.835 -5.058 330 2HE LYS 43 3HE LYS 43 -1.248 7.639 -6.299 331 1HZ LYS 43 1HZ LYS 43 -3.550 6.880 -6.007 332 2HZ LYS 43 2HZ LYS 43 -3.813 8.051 -4.892 333 3HZ LYS 43 3HZ LYS 43 -3.474 8.462 -6.443 334 H ALA 44 H ALA 44 0.110 5.264 -1.258 335 HA ALA 44 HA ALA 44 1.545 3.653 -3.295 336 1HB ALA 44 1HB ALA 44 1.258 1.830 -1.639 337 2HB ALA 44 2HB ALA 44 2.094 3.195 -0.887 338 3HB ALA 44 3HB ALA 44 0.372 2.929 -0.567 339 H HIS 45 H HIS 45 0.311 2.754 -4.928 340 HA HIS 45 HA HIS 45 -2.620 2.835 -4.696 341 1HB HIS 45 2HB HIS 45 -1.664 4.083 -6.526 342 2HB HIS 45 3HB HIS 45 -0.490 2.814 -6.872 343 HD1 HIS 45 1HD HIS 45 -1.651 3.443 -9.320 344 HD2 HIS 45 2HD HIS 45 -3.472 0.778 -6.615 345 HE1 HIS 45 1HE HIS 45 -3.065 1.879 -10.686 346 H ILE 46 H ILE 46 -3.119 0.937 -3.686 347 HA ILE 46 HA ILE 46 -1.593 -1.544 -4.358 348 HB ILE 46 HB ILE 46 -3.528 -0.942 -2.078 349 1HG1 ILE 46 2HG1 ILE 46 -1.552 -1.454 -0.656 350 2HG1 ILE 46 3HG1 ILE 46 -0.513 -1.491 -2.090 351 1HG2 ILE 46 1HG2 ILE 46 -1.775 -3.369 -2.488 352 2HG2 ILE 46 2HG2 ILE 46 -3.069 -3.179 -1.314 353 3HG2 ILE 46 3HG2 ILE 46 -3.450 -3.373 -3.033 354 1HD1 ILE 46 1HD1 ILE 46 -0.550 0.621 -0.604 355 2HD1 ILE 46 2HD1 ILE 46 -0.645 0.827 -2.358 356 3HD1 ILE 46 3HD1 ILE 46 -2.118 0.986 -1.364 357 H LYS 47 H LYS 47 -2.558 -2.871 -5.796 358 HA LYS 47 HA LYS 47 -5.517 -2.802 -6.060 359 1HB LYS 47 2HB LYS 47 -3.483 -3.931 -8.018 360 2HB LYS 47 3HB LYS 47 -5.219 -3.731 -8.236 361 1HG LYS 47 2HG LYS 47 -4.762 -1.174 -7.955 362 2HG LYS 47 3HG LYS 47 -3.045 -1.564 -8.067 363 1HD LYS 47 2HD LYS 47 -3.606 -1.158 -10.343 364 2HD LYS 47 3HD LYS 47 -3.739 -2.921 -10.224 365 1HE LYS 47 2HE LYS 47 -6.288 -2.371 -9.597 366 2HE LYS 47 3HE LYS 47 -5.931 -0.830 -10.388 367 1HZ LYS 47 1HZ LYS 47 -5.525 -2.010 -12.409 368 2HZ LYS 47 2HZ LYS 47 -5.526 -3.475 -11.633 369 3HZ LYS 47 3HZ LYS 47 -6.893 -2.689 -11.756 370 H TYR 48 H TYR 48 -6.326 -4.423 -4.847 371 HA TYR 48 HA TYR 48 -5.079 -7.080 -4.940 372 1HB TYR 48 2HB TYR 48 -5.589 -7.399 -2.571 373 2HB TYR 48 3HB TYR 48 -4.551 -5.999 -2.740 374 HD1 TYR 48 HD1 TYR 48 -5.307 -3.779 -2.048 375 HD2 TYR 48 HD2 TYR 48 -8.011 -7.109 -2.032 376 HE1 TYR 48 HE1 TYR 48 -6.731 -2.609 -0.435 377 HE2 TYR 48 HE2 TYR 48 -9.490 -5.928 -0.496 378 HH TYR 48 HH TYR 48 -9.802 -4.038 0.756 379 H ASP 49 H ASP 49 -6.537 -8.819 -4.360 380 HA ASP 49 HA ASP 49 -9.171 -8.433 -5.576 381 1HB ASP 49 2HB ASP 49 -7.702 -10.357 -6.156 382 2HB ASP 49 3HB ASP 49 -7.892 -10.966 -4.508 383 HA PRO 50 HA PRO 50 -10.819 -7.462 -1.706 384 1HB PRO 50 2HB PRO 50 -13.557 -8.122 -1.992 385 2HB PRO 50 3HB PRO 50 -12.730 -6.607 -2.446 386 1HG PRO 50 2HG PRO 50 -13.409 -8.965 -4.176 387 2HG PRO 50 3HG PRO 50 -13.459 -7.237 -4.598 388 1HD PRO 50 2HD PRO 50 -11.422 -8.822 -5.406 389 2HD PRO 50 3HD PRO 50 -11.114 -7.138 -4.873 390 H GLU 51 H GLU 51 -12.379 -10.708 -2.485 391 HA GLU 51 HA GLU 51 -12.785 -11.058 0.329 392 1HB GLU 51 2HB GLU 51 -13.917 -13.066 -0.241 393 2HB GLU 51 3HB GLU 51 -14.446 -11.750 -1.286 394 1HG GLU 51 2HG GLU 51 -12.362 -13.781 -2.208 395 2HG GLU 51 3HG GLU 51 -14.093 -14.101 -2.289 396 H ILE 52 H ILE 52 -10.039 -10.836 -0.107 397 HA ILE 52 HA ILE 52 -9.191 -13.264 1.354 398 HB ILE 52 HB ILE 52 -8.424 -13.695 -0.796 399 1HG1 ILE 52 2HG1 ILE 52 -6.948 -14.260 1.085 400 2HG1 ILE 52 3HG1 ILE 52 -6.186 -14.154 -0.507 401 1HG2 ILE 52 1HG2 ILE 52 -7.127 -10.986 -1.012 402 2HG2 ILE 52 2HG2 ILE 52 -6.833 -12.366 -2.088 403 3HG2 ILE 52 3HG2 ILE 52 -8.452 -11.687 -1.972 404 1HD1 ILE 52 1HD1 ILE 52 -4.661 -13.237 1.065 405 2HD1 ILE 52 2HD1 ILE 52 -5.296 -11.890 0.112 406 3HD1 ILE 52 3HD1 ILE 52 -5.873 -12.174 1.770 407 H ILE 53 H ILE 53 -8.314 -9.931 0.363 408 HA ILE 53 HA ILE 53 -7.235 -9.549 3.143 409 HB ILE 53 HB ILE 53 -5.557 -9.931 1.304 410 1HG1 ILE 53 2HG1 ILE 53 -5.411 -7.230 2.652 411 2HG1 ILE 53 3HG1 ILE 53 -5.168 -8.806 3.455 412 1HG2 ILE 53 1HG2 ILE 53 -6.275 -7.137 0.364 413 2HG2 ILE 53 2HG2 ILE 53 -5.083 -8.251 -0.331 414 3HG2 ILE 53 3HG2 ILE 53 -6.803 -8.612 -0.479 415 1HD1 ILE 53 1HD1 ILE 53 -3.337 -9.347 1.983 416 2HD1 ILE 53 2HD1 ILE 53 -3.475 -7.764 1.163 417 3HD1 ILE 53 3HD1 ILE 53 -3.032 -7.832 2.877 418 H GLY 54 H GLY 54 -7.517 -7.506 4.164 419 1HA GLY 54 2HA GLY 54 -9.548 -5.742 2.855 420 2HA GLY 54 1HA GLY 54 -9.291 -6.007 4.588 421 HA PRO 55 HA PRO 55 -6.683 -2.343 3.224 422 1HB PRO 55 2HB PRO 55 -7.859 -0.430 4.789 423 2HB PRO 55 3HB PRO 55 -8.422 -0.843 3.147 424 1HG PRO 55 2HG PRO 55 -9.545 -1.837 5.776 425 2HG PRO 55 3HG PRO 55 -10.437 -1.180 4.374 426 1HD PRO 55 2HD PRO 55 -10.165 -3.863 4.760 427 2HD PRO 55 3HD PRO 55 -10.111 -3.162 3.119 428 H ARG 56 H ARG 56 -8.047 -3.446 6.341 429 HA ARG 56 HA ARG 56 -6.191 -2.337 8.117 430 1HB ARG 56 2HB ARG 56 -7.737 -4.954 8.278 431 2HB ARG 56 3HB ARG 56 -6.796 -4.257 9.607 432 1HG ARG 56 2HG ARG 56 -8.140 -2.170 9.482 433 2HG ARG 56 3HG ARG 56 -9.154 -2.900 8.225 434 1HD ARG 56 2HD ARG 56 -9.818 -4.709 9.844 435 2HD ARG 56 3HD ARG 56 -8.722 -4.023 11.032 436 HE ARG 56 HE ARG 56 -10.193 -2.402 11.591 437 1HH1 ARG 56 2HH2 ARG 56 -11.258 -3.826 8.559 438 2HH1 ARG 56 1HH2 ARG 56 -12.799 -3.022 8.517 439 1HH2 ARG 56 2HH1 ARG 56 -12.216 -1.287 11.581 440 2HH2 ARG 56 1HH1 ARG 56 -13.344 -1.527 10.290 441 H ASP 57 H ASP 57 -6.035 -5.574 6.489 442 HA ASP 57 HA ASP 57 -3.781 -6.612 7.645 443 1HB ASP 57 2HB ASP 57 -4.445 -6.747 4.685 444 2HB ASP 57 3HB ASP 57 -3.614 -7.967 5.658 445 H ILE 58 H ILE 58 -4.036 -4.543 4.781 446 HA ILE 58 HA ILE 58 -1.232 -4.335 4.253 447 HB ILE 58 HB ILE 58 -3.527 -2.521 3.430 448 1HG1 ILE 58 2HG1 ILE 58 -2.245 -4.606 1.650 449 2HG1 ILE 58 3HG1 ILE 58 -3.546 -5.093 2.736 450 1HG2 ILE 58 1HG2 ILE 58 -0.668 -2.842 2.423 451 2HG2 ILE 58 2HG2 ILE 58 -1.918 -1.923 1.562 452 3HG2 ILE 58 3HG2 ILE 58 -1.381 -1.398 3.158 453 1HD1 ILE 58 1HD1 ILE 58 -5.081 -3.486 1.820 454 2HD1 ILE 58 2HD1 ILE 58 -3.837 -2.801 0.769 455 3HD1 ILE 58 3HD1 ILE 58 -4.400 -4.472 0.513 456 H ILE 59 H ILE 59 -3.599 -2.097 5.808 457 HA ILE 59 HA ILE 59 -1.926 0.021 6.300 458 HB ILE 59 HB ILE 59 -4.339 -1.044 7.713 459 1HG1 ILE 59 2HG1 ILE 59 -4.025 1.745 6.550 460 2HG1 ILE 59 3HG1 ILE 59 -4.245 0.350 5.483 461 1HG2 ILE 59 1HG2 ILE 59 -3.173 -0.129 9.617 462 2HG2 ILE 59 2HG2 ILE 59 -2.736 1.337 8.720 463 3HG2 ILE 59 3HG2 ILE 59 -4.420 1.017 9.155 464 1HD1 ILE 59 1HD1 ILE 59 -6.342 -0.195 6.752 465 2HD1 ILE 59 2HD1 ILE 59 -6.113 1.293 7.694 466 3HD1 ILE 59 3HD1 ILE 59 -6.366 1.390 5.944 467 H HIS 60 H HIS 60 -2.410 -2.825 8.494 468 HA HIS 60 HA HIS 60 -0.575 -1.717 10.433 469 1HB HIS 60 2HB HIS 60 -0.645 -3.811 11.575 470 2HB HIS 60 3HB HIS 60 -2.257 -3.259 11.134 471 HD1 HIS 60 1HD HIS 60 0.259 -5.664 9.299 472 HD2 HIS 60 2HD HIS 60 -3.646 -5.367 10.834 473 HE1 HIS 60 1HE HIS 60 -0.835 -7.929 8.944 474 H THR 61 H THR 61 -0.213 -3.789 7.611 475 HA THR 61 HA THR 61 2.482 -4.639 8.161 476 HB THR 61 HB THR 61 0.869 -4.452 5.596 477 HG1 THR 61 1HG THR 61 -0.025 -5.958 6.787 478 1HG2 THR 61 1HG2 THR 61 3.295 -4.508 5.046 479 2HG2 THR 61 2HG2 THR 61 3.517 -5.874 6.162 480 3HG2 THR 61 3HG2 THR 61 2.529 -6.060 4.694 481 H ILE 62 H ILE 62 1.133 -1.844 6.284 482 HA ILE 62 HA ILE 62 3.779 -0.906 5.593 483 HB ILE 62 HB ILE 62 1.168 0.619 5.568 484 1HG1 ILE 62 2HG1 ILE 62 2.667 -0.864 3.355 485 2HG1 ILE 62 3HG1 ILE 62 1.160 -1.407 4.091 486 1HG2 ILE 62 1HG2 ILE 62 3.833 1.141 4.165 487 2HG2 ILE 62 2HG2 ILE 62 2.384 2.155 4.074 488 3HG2 ILE 62 3HG2 ILE 62 3.262 2.044 5.582 489 1HD1 ILE 62 1HD1 ILE 62 1.525 1.063 2.359 490 2HD1 ILE 62 2HD1 ILE 62 0.581 -0.384 2.014 491 3HD1 ILE 62 3HD1 ILE 62 0.053 0.712 3.299 492 H GLU 63 H GLU 63 1.475 -0.081 8.278 493 HA GLU 63 HA GLU 63 3.152 1.792 9.565 494 1HB GLU 63 2HB GLU 63 1.126 -0.235 10.562 495 2HB GLU 63 3HB GLU 63 2.096 0.684 11.719 496 1HG GLU 63 2HG GLU 63 0.491 2.054 9.541 497 2HG GLU 63 3HG GLU 63 -0.138 1.720 11.158 498 H SER 64 H SER 64 3.356 -1.785 9.583 499 HA SER 64 HA SER 64 5.509 -1.826 11.445 500 1HB SER 64 2HB SER 64 4.995 -3.869 9.245 501 2HB SER 64 3HB SER 64 5.934 -4.095 10.722 502 HG SER 64 HG SER 64 3.159 -3.433 10.674 503 H LEU 65 H LEU 65 5.530 -0.857 8.088 504 HA LEU 65 HA LEU 65 8.486 -0.996 7.896 505 1HB LEU 65 2HB LEU 65 6.528 0.465 6.095 506 2HB LEU 65 3HB LEU 65 8.229 0.120 5.791 507 HG LEU 65 HG LEU 65 6.016 -1.974 6.024 508 1HD1 LEU 65 1HD1 LEU 65 7.527 -0.949 3.591 509 2HD1 LEU 65 2HD1 LEU 65 6.280 -2.218 3.618 510 3HD1 LEU 65 3HD1 LEU 65 5.846 -0.547 4.010 511 1HD2 LEU 65 1HD2 LEU 65 8.963 -2.253 5.280 512 2HD2 LEU 65 2HD2 LEU 65 8.166 -2.938 6.716 513 3HD2 LEU 65 3HD2 LEU 65 7.737 -3.527 5.108 514 H GLY 66 H GLY 66 5.856 1.350 8.397 515 1HA GLY 66 2HA GLY 66 6.099 2.842 10.292 516 2HA GLY 66 1HA GLY 66 7.780 3.136 9.858 517 H PHE 67 H PHE 67 4.675 3.198 7.987 518 HA PHE 67 HA PHE 67 4.956 6.113 7.610 519 1HB PHE 67 2HB PHE 67 4.258 4.468 5.203 520 2HB PHE 67 3HB PHE 67 4.929 6.075 5.302 521 HD1 PHE 67 1HD PHE 67 7.525 6.101 6.260 522 HD2 PHE 67 2HD PHE 67 5.593 2.636 4.588 523 HE1 PHE 67 1HE PHE 67 9.700 5.310 5.391 524 HE2 PHE 67 2HE PHE 67 7.808 1.767 3.880 525 HZ PHE 67 HZ PHE 67 9.833 3.149 4.156 526 H GLU 68 H GLU 68 2.840 7.061 7.622 527 HA GLU 68 HA GLU 68 0.820 5.288 8.608 528 1HB GLU 68 2HB GLU 68 1.386 7.836 9.129 529 2HB GLU 68 3HB GLU 68 0.110 8.097 7.911 530 1HG GLU 68 2HG GLU 68 -0.106 6.364 10.377 531 2HG GLU 68 3HG GLU 68 -0.723 8.018 10.239 532 HA PRO 69 HA PRO 69 -0.595 4.923 4.278 533 1HB PRO 69 2HB PRO 69 -1.738 2.475 4.420 534 2HB PRO 69 3HB PRO 69 0.011 2.714 4.662 535 1HG PRO 69 2HG PRO 69 -2.105 2.360 6.764 536 2HG PRO 69 3HG PRO 69 -0.489 1.610 6.685 537 1HD PRO 69 2HD PRO 69 -1.223 3.890 8.139 538 2HD PRO 69 3HD PRO 69 0.420 3.387 7.694 539 H SER 70 H SER 70 -1.986 6.896 4.690 540 HA SER 70 HA SER 70 -4.540 6.492 5.955 541 1HB SER 70 2HB SER 70 -3.824 8.946 4.352 542 2HB SER 70 3HB SER 70 -4.719 8.801 5.872 543 HG SER 70 HG SER 70 -2.560 8.051 6.730 544 H LEU 71 H LEU 71 -6.257 5.535 4.855 545 HA LEU 71 HA LEU 71 -6.500 5.149 2.071 546 1HB LEU 71 2HB LEU 71 -8.571 5.509 4.273 547 2HB LEU 71 3HB LEU 71 -9.006 5.033 2.633 548 HG LEU 71 HG LEU 71 -7.002 3.417 4.248 549 1HD1 LEU 71 1HD1 LEU 71 -8.884 1.946 4.879 550 2HD1 LEU 71 2HD1 LEU 71 -9.077 3.567 5.568 551 3HD1 LEU 71 3HD1 LEU 71 -10.031 3.088 4.148 552 1HD2 LEU 71 1HD2 LEU 71 -7.757 1.623 2.709 553 2HD2 LEU 71 2HD2 LEU 71 -8.886 2.748 1.928 554 3HD2 LEU 71 3HD2 LEU 71 -7.136 2.992 1.775 555 H VAL 72 H VAL 72 -6.306 6.832 0.573 556 HA VAL 72 HA VAL 72 -7.118 9.462 1.035 557 HB VAL 72 HB VAL 72 -5.852 8.410 -1.033 558 1HG1 VAL 72 1HG1 VAL 72 -7.109 8.330 -3.089 559 2HG1 VAL 72 2HG1 VAL 72 -7.877 7.209 -1.942 560 3HG1 VAL 72 3HG1 VAL 72 -8.603 8.794 -2.287 561 1HG2 VAL 72 1HG2 VAL 72 -6.189 10.496 -2.269 562 2HG2 VAL 72 2HG2 VAL 72 -7.653 10.847 -1.330 563 3HG2 VAL 72 3HG2 VAL 72 -6.070 10.837 -0.535 564 H LYS 73 H LYS 73 -9.146 6.738 0.057 565 HA LYS 73 HA LYS 73 -11.587 8.354 0.357 566 1HB LYS 73 2HB LYS 73 -12.513 7.633 -1.728 567 2HB LYS 73 3HB LYS 73 -10.932 8.326 -2.092 568 1HG LYS 73 2HG LYS 73 -10.070 5.848 -1.984 569 2HG LYS 73 3HG LYS 73 -11.787 5.407 -2.060 570 1HD LYS 73 2HD LYS 73 -11.904 6.930 -4.162 571 2HD LYS 73 3HD LYS 73 -10.134 6.938 -4.104 572 1HE LYS 73 2HE LYS 73 -11.998 4.589 -4.636 573 2HE LYS 73 3HE LYS 73 -10.710 5.249 -5.664 574 1HZ LYS 73 1HZ LYS 73 -9.858 3.277 -4.673 575 2HZ LYS 73 2HZ LYS 73 -9.171 4.517 -3.874 576 3HZ LYS 73 3HZ LYS 73 -10.428 3.679 -3.199 577 H ILE 74 H ILE 74 -13.458 6.924 0.657 578 HA ILE 74 HA ILE 74 -12.873 4.076 1.190 579 HB ILE 74 HB ILE 74 -14.614 5.885 2.944 580 1HG1 ILE 74 2HG1 ILE 74 -12.980 4.712 4.708 581 2HG1 ILE 74 3HG1 ILE 74 -11.883 4.633 3.330 582 1HG2 ILE 74 1HG2 ILE 74 -14.104 2.883 3.038 583 2HG2 ILE 74 2HG2 ILE 74 -15.037 3.816 4.229 584 3HG2 ILE 74 3HG2 ILE 74 -15.630 3.667 2.577 585 1HD1 ILE 74 1HD1 ILE 74 -12.030 7.140 3.145 586 2HD1 ILE 74 2HD1 ILE 74 -13.198 7.146 4.481 587 3HD1 ILE 74 3HD1 ILE 74 -11.524 6.626 4.755 588 H GLU 75 H GLU 75 -14.105 2.976 -0.197 589 HA GLU 75 HA GLU 75 -15.777 4.407 -1.973 590 1HB GLU 75 2HB GLU 75 -15.109 1.410 -1.730 591 2HB GLU 75 3HB GLU 75 -15.778 2.199 -3.155 592 1HG GLU 75 2HG GLU 75 -13.525 2.027 -3.680 593 2HG GLU 75 3HG GLU 75 -13.709 3.708 -3.166 Start of MODEL 22 1 1H MET 1 H1 MET 1 -10.922 -10.633 -10.843 2 2H MET 1 H2 MET 1 -11.352 -10.376 -12.436 3 3H MET 1 H3 MET 1 -12.015 -9.509 -11.202 4 HA MET 1 HA MET 1 -13.646 -11.000 -11.847 5 1HB MET 1 2HB MET 1 -12.236 -12.628 -12.998 6 2HB MET 1 3HB MET 1 -11.496 -13.151 -11.485 7 1HG MET 1 2HG MET 1 -13.204 -14.732 -12.245 8 2HG MET 1 3HG MET 1 -13.690 -14.012 -10.710 9 1HE MET 1 1HE MET 1 -17.122 -14.651 -12.422 10 2HE MET 1 2HE MET 1 -15.672 -15.680 -12.474 11 3HE MET 1 3HE MET 1 -16.139 -14.872 -10.955 12 H GLY 2 H GLY 2 -11.621 -12.783 -9.507 13 1HA GLY 2 2HA GLY 2 -12.621 -11.205 -7.221 14 2HA GLY 2 1HA GLY 2 -11.238 -12.327 -7.263 15 H ASP 3 H ASP 3 -11.656 -9.207 -6.896 16 HA ASP 3 HA ASP 3 -9.159 -8.319 -7.457 17 1HB ASP 3 2HB ASP 3 -9.397 -6.745 -9.306 18 2HB ASP 3 3HB ASP 3 -9.607 -8.369 -9.909 19 H GLY 4 H GLY 4 -9.203 -5.813 -7.267 20 1HA GLY 4 2HA GLY 4 -11.339 -4.289 -6.285 21 2HA GLY 4 1HA GLY 4 -10.594 -5.155 -4.912 22 H VAL 5 H VAL 5 -10.408 -2.271 -5.315 23 HA VAL 5 HA VAL 5 -7.490 -1.941 -5.598 24 HB VAL 5 HB VAL 5 -9.568 -0.292 -7.121 25 1HG1 VAL 5 1HG1 VAL 5 -7.540 0.786 -8.137 26 2HG1 VAL 5 2HG1 VAL 5 -7.713 1.129 -6.417 27 3HG1 VAL 5 3HG1 VAL 5 -6.532 -0.080 -6.958 28 1HG2 VAL 5 1HG2 VAL 5 -7.489 -2.273 -8.131 29 2HG2 VAL 5 2HG2 VAL 5 -9.254 -2.411 -8.288 30 3HG2 VAL 5 3HG2 VAL 5 -8.398 -1.146 -9.165 31 H LEU 6 H LEU 6 -6.702 -0.295 -4.252 32 HA LEU 6 HA LEU 6 -8.533 1.775 -3.494 33 1HB LEU 6 2HB LEU 6 -8.650 1.644 -1.236 34 2HB LEU 6 3HB LEU 6 -8.808 -0.059 -1.643 35 HG LEU 6 HG LEU 6 -6.281 1.349 -0.645 36 1HD1 LEU 6 1HD1 LEU 6 -6.682 0.092 1.430 37 2HD1 LEU 6 2HD1 LEU 6 -8.022 1.193 1.066 38 3HD1 LEU 6 3HD1 LEU 6 -8.195 -0.549 0.757 39 1HD2 LEU 6 1HD2 LEU 6 -5.290 -0.843 -0.408 40 2HD2 LEU 6 2HD2 LEU 6 -6.763 -1.640 -0.977 41 3HD2 LEU 6 3HD2 LEU 6 -5.784 -0.667 -2.093 42 H GLU 7 H GLU 7 -7.373 3.556 -2.358 43 HA GLU 7 HA GLU 7 -4.447 3.476 -2.780 44 1HB GLU 7 2HB GLU 7 -6.250 5.899 -3.226 45 2HB GLU 7 3HB GLU 7 -4.493 5.841 -3.263 46 1HG GLU 7 2HG GLU 7 -4.873 3.959 -5.100 47 2HG GLU 7 3HG GLU 7 -6.475 4.697 -5.248 48 H LEU 8 H LEU 8 -3.271 4.350 -1.119 49 HA LEU 8 HA LEU 8 -4.682 5.561 1.166 50 1HB LEU 8 2HB LEU 8 -3.234 4.132 2.718 51 2HB LEU 8 3HB LEU 8 -4.605 3.306 2.010 52 HG LEU 8 HG LEU 8 -1.956 3.100 0.599 53 1HD1 LEU 8 1HD1 LEU 8 -1.460 2.627 2.969 54 2HD1 LEU 8 2HD1 LEU 8 -2.785 1.443 3.013 55 3HD1 LEU 8 3HD1 LEU 8 -1.363 1.163 1.981 56 1HD2 LEU 8 1HD2 LEU 8 -4.293 1.172 1.013 57 2HD2 LEU 8 2HD2 LEU 8 -3.944 2.049 -0.490 58 3HD2 LEU 8 3HD2 LEU 8 -2.827 0.828 0.085 59 H VAL 9 H VAL 9 -3.637 7.259 1.982 60 HA VAL 9 HA VAL 9 -1.198 8.132 0.619 61 HB VAL 9 HB VAL 9 -2.763 9.551 2.787 62 1HG1 VAL 9 1HG1 VAL 9 -1.596 11.526 1.877 63 2HG1 VAL 9 2HG1 VAL 9 -0.412 10.324 2.418 64 3HG1 VAL 9 3HG1 VAL 9 -0.768 10.505 0.687 65 1HG2 VAL 9 1HG2 VAL 9 -2.999 9.719 -0.246 66 2HG2 VAL 9 2HG2 VAL 9 -4.261 9.170 0.877 67 3HG2 VAL 9 3HG2 VAL 9 -3.734 10.854 0.903 68 H VAL 10 H VAL 10 0.676 7.247 1.368 69 HA VAL 10 HA VAL 10 0.761 5.972 4.035 70 HB VAL 10 HB VAL 10 2.803 4.912 3.026 71 1HG1 VAL 10 1HG1 VAL 10 1.458 3.209 1.848 72 2HG1 VAL 10 2HG1 VAL 10 0.630 3.761 3.312 73 3HG1 VAL 10 3HG1 VAL 10 0.101 4.348 1.730 74 1HG2 VAL 10 1HG2 VAL 10 1.586 5.730 0.361 75 2HG2 VAL 10 2HG2 VAL 10 3.069 6.438 1.022 76 3HG2 VAL 10 3HG2 VAL 10 2.998 4.708 0.644 77 H ARG 11 H ARG 11 1.101 7.816 5.328 78 HA ARG 11 HA ARG 11 2.921 9.875 4.379 79 1HB ARG 11 2HB ARG 11 2.124 9.582 7.274 80 2HB ARG 11 3HB ARG 11 2.566 11.030 6.396 81 1HG ARG 11 2HG ARG 11 0.451 10.942 5.105 82 2HG ARG 11 3HG ARG 11 -0.014 9.455 5.959 83 1HD ARG 11 2HD ARG 11 0.289 10.703 8.133 84 2HD ARG 11 3HD ARG 11 0.466 12.189 7.219 85 HE ARG 11 HE ARG 11 -1.808 11.591 6.212 86 1HH1 ARG 11 2HH2 ARG 11 -1.049 10.481 9.574 87 2HH1 ARG 11 1HH2 ARG 11 -2.658 10.727 10.107 88 1HH2 ARG 11 2HH1 ARG 11 -3.927 11.830 6.987 89 2HH2 ARG 11 1HH1 ARG 11 -4.325 11.422 8.626 90 H GLY 12 H GLY 12 5.094 10.010 4.685 91 1HA GLY 12 2HA GLY 12 6.896 9.830 6.379 92 2HA GLY 12 1HA GLY 12 6.467 8.133 6.584 93 H MET 13 H MET 13 5.986 7.533 3.703 94 HA MET 13 HA MET 13 8.790 7.023 3.130 95 1HB MET 13 2HB MET 13 7.986 5.575 1.439 96 2HB MET 13 3HB MET 13 6.935 5.379 2.839 97 1HG MET 13 2HG MET 13 5.398 5.451 1.185 98 2HG MET 13 3HG MET 13 5.462 7.182 1.483 99 1HE MET 13 1HE MET 13 4.284 7.363 -0.805 100 2HE MET 13 2HE MET 13 4.854 6.630 -2.335 101 3HE MET 13 3HE MET 13 4.350 5.599 -0.983 102 H THR 14 H THR 14 10.078 8.171 1.702 103 HA THR 14 HA THR 14 8.841 10.130 -0.129 104 HB THR 14 HB THR 14 8.772 11.208 2.072 105 HG1 THR 14 1HG THR 14 10.660 12.212 0.236 106 1HG2 THR 14 1HG2 THR 14 11.811 10.910 2.096 107 2HG2 THR 14 2HG2 THR 14 10.832 11.861 3.228 108 3HG2 THR 14 3HG2 THR 14 10.671 10.099 3.192 109 H CYS 15 H CYS 15 10.730 7.730 -0.411 110 HA CYS 15 HA CYS 15 12.408 8.993 -2.357 111 1HB CYS 15 2HB CYS 15 14.536 7.924 -1.215 112 2HB CYS 15 3HB CYS 15 13.992 9.544 -0.810 113 H ALA 16 H ALA 16 13.527 7.456 -3.627 114 HA ALA 16 HA ALA 16 12.042 5.353 -4.533 115 1HB ALA 16 1HB ALA 16 13.903 6.372 -5.761 116 2HB ALA 16 2HB ALA 16 15.072 5.622 -4.650 117 3HB ALA 16 3HB ALA 16 14.071 4.606 -5.709 118 H SER 17 H SER 17 14.575 5.213 -2.053 119 HA SER 17 HA SER 17 14.799 2.468 -1.605 120 1HB SER 17 2HB SER 17 16.130 4.129 -0.363 121 2HB SER 17 3HB SER 17 14.677 4.680 0.489 122 HG SER 17 HG SER 17 15.993 2.173 0.642 123 H CYS 18 H CYS 18 12.266 4.746 -0.379 124 HA CYS 18 HA CYS 18 10.960 2.546 1.082 125 1HB CYS 18 2HB CYS 18 10.200 5.421 0.936 126 2HB CYS 18 3HB CYS 18 9.525 4.127 1.965 127 H VAL 19 H VAL 19 10.572 4.249 -1.978 128 HA VAL 19 HA VAL 19 7.988 3.340 -2.615 129 HB VAL 19 HB VAL 19 10.414 3.581 -4.461 130 1HG1 VAL 19 1HG1 VAL 19 8.656 2.266 -5.555 131 2HG1 VAL 19 2HG1 VAL 19 7.469 3.531 -5.181 132 3HG1 VAL 19 3HG1 VAL 19 8.810 3.866 -6.283 133 1HG2 VAL 19 1HG2 VAL 19 9.918 5.663 -3.281 134 2HG2 VAL 19 2HG2 VAL 19 9.508 5.790 -4.994 135 3HG2 VAL 19 3HG2 VAL 19 8.218 5.565 -3.781 136 H HIS 20 H HIS 20 11.145 1.795 -3.410 137 HA HIS 20 HA HIS 20 9.813 -0.568 -4.248 138 1HB HIS 20 2HB HIS 20 11.977 -1.447 -4.658 139 2HB HIS 20 3HB HIS 20 11.756 0.190 -5.279 140 HD1 HIS 20 1HD HIS 20 14.267 0.766 -5.470 141 HD2 HIS 20 2HD HIS 20 13.074 -0.627 -1.700 142 HE1 HIS 20 1HE HIS 20 16.318 0.912 -3.956 143 H LYS 21 H LYS 21 11.071 0.382 -1.044 144 HA LYS 21 HA LYS 21 10.936 -2.281 0.041 145 1HB LYS 21 2HB LYS 21 10.706 0.427 1.369 146 2HB LYS 21 3HB LYS 21 10.485 -1.084 2.251 147 1HG LYS 21 2HG LYS 21 12.697 -1.894 1.512 148 2HG LYS 21 3HG LYS 21 13.018 -0.365 0.738 149 1HD LYS 21 2HD LYS 21 12.646 -0.981 3.703 150 2HD LYS 21 3HD LYS 21 14.126 -0.450 2.912 151 1HE LYS 21 2HE LYS 21 11.611 1.198 3.438 152 2HE LYS 21 3HE LYS 21 13.168 1.370 4.251 153 1HZ LYS 21 1HZ LYS 21 14.116 2.224 2.186 154 2HZ LYS 21 2HZ LYS 21 12.777 1.778 1.379 155 3HZ LYS 21 3HZ LYS 21 12.689 3.014 2.464 156 H ILE 22 H ILE 22 8.409 0.369 -0.133 157 HA ILE 22 HA ILE 22 6.462 -1.279 1.117 158 HB ILE 22 HB ILE 22 5.961 0.944 -0.913 159 1HG1 ILE 22 2HG1 ILE 22 6.100 0.880 2.126 160 2HG1 ILE 22 3HG1 ILE 22 7.139 1.772 1.000 161 1HG2 ILE 22 1HG2 ILE 22 3.651 0.927 0.114 162 2HG2 ILE 22 2HG2 ILE 22 4.004 -0.598 -0.676 163 3HG2 ILE 22 3HG2 ILE 22 4.127 -0.457 1.091 164 1HD1 ILE 22 1HD1 ILE 22 5.703 3.335 1.986 165 2HD1 ILE 22 2HD1 ILE 22 5.185 3.132 0.298 166 3HD1 ILE 22 3HD1 ILE 22 4.252 2.395 1.634 167 H GLU 23 H GLU 23 7.051 -0.691 -2.417 168 HA GLU 23 HA GLU 23 5.016 -2.406 -3.297 169 1HB GLU 23 2HB GLU 23 7.669 -1.660 -4.585 170 2HB GLU 23 3HB GLU 23 6.344 -2.461 -5.446 171 1HG GLU 23 2HG GLU 23 4.840 -0.606 -5.045 172 2HG GLU 23 3HG GLU 23 5.983 0.186 -3.957 173 H SER 24 H SER 24 8.492 -3.240 -2.858 174 HA SER 24 HA SER 24 8.258 -5.977 -3.541 175 1HB SER 24 2HB SER 24 10.383 -4.700 -3.347 176 2HB SER 24 3HB SER 24 10.205 -4.686 -1.580 177 HG SER 24 HG SER 24 11.531 -6.415 -2.394 178 H SER 25 H SER 25 8.124 -4.393 -0.290 179 HA SER 25 HA SER 25 7.794 -6.780 1.201 180 1HB SER 25 2HB SER 25 8.421 -4.614 2.186 181 2HB SER 25 3HB SER 25 6.821 -3.957 1.792 182 HG SER 25 HG SER 25 6.939 -4.743 3.962 183 H LEU 26 H LEU 26 5.271 -4.496 0.001 184 HA LEU 26 HA LEU 26 3.116 -5.950 1.129 185 1HB LEU 26 2HB LEU 26 3.382 -3.860 -1.031 186 2HB LEU 26 3HB LEU 26 1.847 -4.680 -0.813 187 HG LEU 26 HG LEU 26 2.097 -2.539 0.342 188 1HD1 LEU 26 1HD1 LEU 26 1.393 -4.869 2.170 189 2HD1 LEU 26 2HD1 LEU 26 0.850 -3.201 2.339 190 3HD1 LEU 26 3HD1 LEU 26 0.325 -4.157 0.940 191 1HD2 LEU 26 1HD2 LEU 26 4.346 -2.706 1.351 192 2HD2 LEU 26 2HD2 LEU 26 3.141 -2.493 2.618 193 3HD2 LEU 26 3HD2 LEU 26 3.841 -4.085 2.328 194 H THR 27 H THR 27 4.742 -6.299 -2.005 195 HA THR 27 HA THR 27 2.930 -8.111 -3.144 196 HB THR 27 HB THR 27 5.959 -8.184 -3.417 197 HG1 THR 27 1HG THR 27 5.071 -6.161 -3.959 198 1HG2 THR 27 1HG2 THR 27 5.425 -9.067 -5.694 199 2HG2 THR 27 2HG2 THR 27 4.975 -10.204 -4.415 200 3HG2 THR 27 3HG2 THR 27 3.723 -9.223 -5.215 201 H LYS 28 H LYS 28 4.884 -8.706 -0.263 202 HA LYS 28 HA LYS 28 4.873 -11.530 -0.285 203 1HB LYS 28 2HB LYS 28 5.227 -11.454 2.043 204 2HB LYS 28 3HB LYS 28 6.040 -10.060 1.352 205 1HG LYS 28 2HG LYS 28 5.056 -8.881 2.982 206 2HG LYS 28 3HG LYS 28 3.589 -8.961 1.998 207 1HD LYS 28 2HD LYS 28 3.260 -11.273 3.328 208 2HD LYS 28 3HD LYS 28 4.414 -10.561 4.455 209 1HE LYS 28 2HE LYS 28 1.665 -9.605 3.631 210 2HE LYS 28 3HE LYS 28 2.160 -10.092 5.249 211 1HZ LYS 28 1HZ LYS 28 3.460 -8.091 5.427 212 2HZ LYS 28 2HZ LYS 28 3.137 -7.674 3.868 213 3HZ LYS 28 3HZ LYS 28 1.947 -7.640 4.979 214 H HIS 29 H HIS 29 2.198 -9.278 0.107 215 HA HIS 29 HA HIS 29 0.271 -11.262 1.080 216 1HB HIS 29 2HB HIS 29 -0.035 -8.557 -0.276 217 2HB HIS 29 3HB HIS 29 -1.365 -9.583 0.229 218 HD1 HIS 29 1HD HIS 29 -1.715 -9.814 2.948 219 HD2 HIS 29 2HD HIS 29 1.191 -7.097 1.583 220 HE1 HIS 29 1HE HIS 29 -1.082 -8.348 4.929 221 H ARG 30 H ARG 30 0.409 -13.053 -0.330 222 HA ARG 30 HA ARG 30 0.442 -13.126 -3.104 223 1HB ARG 30 2HB ARG 30 -1.393 -14.788 -1.332 224 2HB ARG 30 3HB ARG 30 -0.891 -15.164 -2.986 225 1HG ARG 30 2HG ARG 30 1.528 -15.160 -2.136 226 2HG ARG 30 3HG ARG 30 0.867 -15.142 -0.493 227 1HD ARG 30 2HD ARG 30 0.396 -17.206 -2.675 228 2HD ARG 30 3HD ARG 30 1.331 -17.447 -1.182 229 HE ARG 30 HE ARG 30 -1.135 -16.712 -0.241 230 1HH1 ARG 30 2HH2 ARG 30 -0.021 -19.283 -2.375 231 2HH1 ARG 30 1HH2 ARG 30 -1.394 -20.316 -2.128 232 1HH2 ARG 30 2HH1 ARG 30 -2.993 -18.048 0.110 233 2HH2 ARG 30 1HH1 ARG 30 -3.108 -19.599 -0.646 234 H GLY 31 H GLY 31 -2.255 -12.131 -1.036 235 1HA GLY 31 2HA GLY 31 -4.286 -12.144 -3.079 236 2HA GLY 31 1HA GLY 31 -4.364 -11.368 -1.495 237 H ILE 32 H ILE 32 -1.611 -9.952 -2.642 238 HA ILE 32 HA ILE 32 -3.067 -7.692 -3.867 239 HB ILE 32 HB ILE 32 -0.574 -7.984 -2.370 240 1HG1 ILE 32 2HG1 ILE 32 -1.964 -5.500 -3.379 241 2HG1 ILE 32 3HG1 ILE 32 -2.623 -6.478 -2.044 242 1HG2 ILE 32 1HG2 ILE 32 0.823 -6.434 -3.610 243 2HG2 ILE 32 2HG2 ILE 32 0.582 -7.891 -4.544 244 3HG2 ILE 32 3HG2 ILE 32 -0.326 -6.415 -4.961 245 1HD1 ILE 32 1HD1 ILE 32 0.023 -5.038 -2.069 246 2HD1 ILE 32 2HD1 ILE 32 -1.375 -4.740 -1.028 247 3HD1 ILE 32 3HD1 ILE 32 -0.436 -6.227 -0.830 248 H LEU 33 H LEU 33 -3.172 -7.424 -5.993 249 HA LEU 33 HA LEU 33 -1.683 -9.362 -7.697 250 1HB LEU 33 2HB LEU 33 -3.327 -9.150 -9.366 251 2HB LEU 33 3HB LEU 33 -4.104 -9.494 -7.828 252 HG LEU 33 HG LEU 33 -4.294 -6.780 -7.817 253 1HD1 LEU 33 1HD1 LEU 33 -4.929 -5.982 -10.045 254 2HD1 LEU 33 2HD1 LEU 33 -3.248 -6.535 -10.066 255 3HD1 LEU 33 3HD1 LEU 33 -4.524 -7.558 -10.752 256 1HD2 LEU 33 1HD2 LEU 33 -6.142 -8.368 -7.469 257 2HD2 LEU 33 2HD2 LEU 33 -6.615 -7.069 -8.575 258 3HD2 LEU 33 3HD2 LEU 33 -6.214 -8.679 -9.215 259 H TYR 34 H TYR 34 -2.010 -5.910 -6.908 260 HA TYR 34 HA TYR 34 0.488 -5.554 -8.329 261 1HB TYR 34 2HB TYR 34 -1.156 -5.256 -10.179 262 2HB TYR 34 3HB TYR 34 -1.934 -3.982 -9.255 263 HD1 TYR 34 HD1 TYR 34 1.180 -4.960 -11.039 264 HD2 TYR 34 HD2 TYR 34 -1.040 -1.737 -9.227 265 HE1 TYR 34 HE1 TYR 34 2.717 -3.305 -12.076 266 HE2 TYR 34 HE2 TYR 34 0.445 -0.097 -10.321 267 HH TYR 34 HH TYR 34 2.652 0.075 -11.194 268 H CYS 35 H CYS 35 1.590 -3.671 -7.750 269 HA CYS 35 HA CYS 35 0.455 -1.908 -5.640 270 1HB CYS 35 2HB CYS 35 3.161 -3.350 -5.674 271 2HB CYS 35 3HB CYS 35 2.874 -1.860 -4.763 272 HG CYS 35 HG CYS 35 0.954 -2.642 -3.351 273 H SER 36 H SER 36 1.047 0.256 -6.029 274 HA SER 36 HA SER 36 3.701 0.681 -7.049 275 1HB SER 36 2HB SER 36 1.373 1.917 -8.584 276 2HB SER 36 3HB SER 36 3.038 2.529 -8.635 277 HG SER 36 HG SER 36 2.931 -0.152 -9.051 278 H VAL 37 H VAL 37 4.568 2.348 -5.733 279 HA VAL 37 HA VAL 37 2.567 4.278 -4.637 280 HB VAL 37 HB VAL 37 3.559 4.222 -2.556 281 1HG1 VAL 37 1HG1 VAL 37 4.036 1.326 -3.372 282 2HG1 VAL 37 2HG1 VAL 37 3.554 1.969 -1.803 283 3HG1 VAL 37 3HG1 VAL 37 2.414 1.987 -3.160 284 1HG2 VAL 37 1HG2 VAL 37 5.936 2.725 -3.722 285 2HG2 VAL 37 2HG2 VAL 37 5.943 4.435 -3.212 286 3HG2 VAL 37 3HG2 VAL 37 5.718 3.153 -2.016 287 H ALA 38 H ALA 38 3.206 6.419 -4.349 288 HA ALA 38 HA ALA 38 5.738 7.205 -5.707 289 1HB ALA 38 1HB ALA 38 3.993 7.449 -7.404 290 2HB ALA 38 2HB ALA 38 3.043 8.473 -6.293 291 3HB ALA 38 3HB ALA 38 4.648 9.012 -6.857 292 H LEU 39 H LEU 39 6.793 8.711 -4.734 293 HA LEU 39 HA LEU 39 6.013 9.622 -2.092 294 1HB LEU 39 2HB LEU 39 8.124 10.914 -2.179 295 2HB LEU 39 3HB LEU 39 8.290 9.164 -2.305 296 HG LEU 39 HG LEU 39 8.154 10.589 -4.934 297 1HD1 LEU 39 1HD1 LEU 39 9.451 12.225 -3.633 298 2HD1 LEU 39 2HD1 LEU 39 10.543 10.936 -3.083 299 3HD1 LEU 39 3HD1 LEU 39 10.479 11.377 -4.802 300 1HD2 LEU 39 1HD2 LEU 39 9.987 9.025 -5.450 301 2HD2 LEU 39 2HD2 LEU 39 10.105 8.556 -3.742 302 3HD2 LEU 39 3HD2 LEU 39 8.666 8.131 -4.681 303 H ALA 40 H ALA 40 5.919 10.961 -5.340 304 HA ALA 40 HA ALA 40 5.730 13.672 -4.941 305 1HB ALA 40 1HB ALA 40 5.711 12.573 -7.144 306 2HB ALA 40 2HB ALA 40 4.065 11.968 -6.842 307 3HB ALA 40 3HB ALA 40 4.360 13.713 -6.992 308 H THR 41 H THR 41 3.201 11.266 -4.224 309 HA THR 41 HA THR 41 1.576 13.419 -2.915 310 HB THR 41 HB THR 41 -0.357 11.785 -3.454 311 HG1 THR 41 1HG THR 41 1.419 11.090 -5.552 312 1HG2 THR 41 1HG2 THR 41 0.956 13.382 -5.703 313 2HG2 THR 41 2HG2 THR 41 -0.734 12.833 -5.663 314 3HG2 THR 41 3HG2 THR 41 -0.159 14.017 -4.477 315 H ASN 42 H ASN 42 3.749 11.385 -2.096 316 HA ASN 42 HA ASN 42 4.139 9.622 -0.695 317 1HB ASN 42 2HB ASN 42 2.395 11.328 1.106 318 2HB ASN 42 3HB ASN 42 3.579 10.124 1.634 319 1HD2 ASN 42 1HD2 ASN 42 5.973 10.543 1.008 320 2HD2 ASN 42 2HD2 ASN 42 6.419 12.228 0.851 321 H LYS 43 H LYS 43 2.425 8.537 -2.390 322 HA LYS 43 HA LYS 43 0.178 7.382 -0.792 323 1HB LYS 43 2HB LYS 43 -0.634 9.322 -1.966 324 2HB LYS 43 3HB LYS 43 0.063 8.758 -3.487 325 1HG LYS 43 2HG LYS 43 -1.900 6.931 -2.111 326 2HG LYS 43 3HG LYS 43 -2.545 8.430 -2.747 327 1HD LYS 43 2HD LYS 43 -0.904 6.472 -4.432 328 2HD LYS 43 3HD LYS 43 -2.653 6.507 -4.336 329 1HE LYS 43 2HE LYS 43 -2.006 9.198 -4.884 330 2HE LYS 43 3HE LYS 43 -0.803 8.294 -5.799 331 1HZ LYS 43 1HZ LYS 43 -2.759 8.606 -7.152 332 2HZ LYS 43 2HZ LYS 43 -2.845 7.007 -6.686 333 3HZ LYS 43 3HZ LYS 43 -3.757 8.060 -5.954 334 H ALA 44 H ALA 44 -0.440 5.384 -1.190 335 HA ALA 44 HA ALA 44 1.072 3.762 -3.185 336 1HB ALA 44 1HB ALA 44 0.702 1.890 -1.573 337 2HB ALA 44 2HB ALA 44 1.693 3.191 -0.871 338 3HB ALA 44 3HB ALA 44 -0.014 3.037 -0.433 339 H HIS 45 H HIS 45 -0.118 2.821 -4.772 340 HA HIS 45 HA HIS 45 -3.006 2.689 -4.628 341 1HB HIS 45 2HB HIS 45 -1.696 3.854 -6.469 342 2HB HIS 45 3HB HIS 45 -0.849 2.336 -6.800 343 HD1 HIS 45 1HD HIS 45 -4.031 4.133 -7.398 344 HD2 HIS 45 2HD HIS 45 -2.563 0.196 -7.454 345 HE1 HIS 45 1HE HIS 45 -5.778 2.737 -8.543 346 H ILE 46 H ILE 46 -3.744 0.641 -4.041 347 HA ILE 46 HA ILE 46 -1.989 -1.711 -4.600 348 HB ILE 46 HB ILE 46 -3.245 -0.858 -2.016 349 1HG1 ILE 46 2HG1 ILE 46 -0.880 -2.649 -2.665 350 2HG1 ILE 46 3HG1 ILE 46 -0.751 -0.882 -2.690 351 1HG2 ILE 46 1HG2 ILE 46 -4.557 -2.842 -2.351 352 2HG2 ILE 46 2HG2 ILE 46 -3.179 -3.726 -3.030 353 3HG2 ILE 46 3HG2 ILE 46 -3.226 -3.335 -1.316 354 1HD1 ILE 46 1HD1 ILE 46 -1.464 -2.536 -0.243 355 2HD1 ILE 46 2HD1 ILE 46 0.081 -1.748 -0.592 356 3HD1 ILE 46 3HD1 ILE 46 -1.361 -0.765 -0.321 357 H LYS 47 H LYS 47 -2.889 -3.332 -5.611 358 HA LYS 47 HA LYS 47 -5.818 -3.285 -6.128 359 1HB LYS 47 2HB LYS 47 -3.772 -4.306 -8.088 360 2HB LYS 47 3HB LYS 47 -5.450 -3.825 -8.355 361 1HG LYS 47 2HG LYS 47 -4.648 -1.415 -7.681 362 2HG LYS 47 3HG LYS 47 -3.013 -2.040 -7.805 363 1HD LYS 47 2HD LYS 47 -3.391 -1.088 -9.897 364 2HD LYS 47 3HD LYS 47 -3.634 -2.828 -10.185 365 1HE LYS 47 2HE LYS 47 -6.081 -2.526 -10.112 366 2HE LYS 47 3HE LYS 47 -5.886 -0.830 -9.631 367 1HZ LYS 47 1HZ LYS 47 -6.383 -1.053 -11.946 368 2HZ LYS 47 2HZ LYS 47 -4.891 -0.392 -11.745 369 3HZ LYS 47 3HZ LYS 47 -5.043 -1.968 -12.207 370 H TYR 48 H TYR 48 -6.783 -5.303 -5.685 371 HA TYR 48 HA TYR 48 -5.089 -7.543 -4.912 372 1HB TYR 48 2HB TYR 48 -5.507 -7.263 -2.523 373 2HB TYR 48 3HB TYR 48 -4.769 -5.790 -3.109 374 HD1 TYR 48 HD1 TYR 48 -7.661 -7.220 -1.436 375 HD2 TYR 48 HD2 TYR 48 -6.338 -3.774 -3.670 376 HE1 TYR 48 HE1 TYR 48 -9.385 -5.831 -0.336 377 HE2 TYR 48 HE2 TYR 48 -8.211 -2.472 -2.744 378 HH TYR 48 HH TYR 48 -10.033 -2.465 -1.355 379 H ASP 49 H ASP 49 -6.368 -9.132 -3.592 380 HA ASP 49 HA ASP 49 -9.070 -9.487 -4.780 381 1HB ASP 49 2HB ASP 49 -6.941 -11.390 -3.830 382 2HB ASP 49 3HB ASP 49 -8.631 -11.892 -3.960 383 HA PRO 50 HA PRO 50 -9.978 -8.141 -0.560 384 1HB PRO 50 2HB PRO 50 -12.648 -7.566 -0.813 385 2HB PRO 50 3HB PRO 50 -11.363 -6.541 -1.507 386 1HG PRO 50 2HG PRO 50 -12.944 -8.700 -2.922 387 2HG PRO 50 3HG PRO 50 -12.660 -7.019 -3.465 388 1HD PRO 50 2HD PRO 50 -11.148 -9.051 -4.365 389 2HD PRO 50 3HD PRO 50 -10.380 -7.482 -3.966 390 H GLU 51 H GLU 51 -11.220 -11.000 -2.086 391 HA GLU 51 HA GLU 51 -13.001 -11.972 -0.151 392 1HB GLU 51 2HB GLU 51 -12.141 -14.237 -0.927 393 2HB GLU 51 3HB GLU 51 -12.854 -13.196 -2.156 394 1HG GLU 51 2HG GLU 51 -10.771 -12.720 -3.172 395 2HG GLU 51 3HG GLU 51 -9.837 -13.258 -1.763 396 H ILE 52 H ILE 52 -9.436 -11.944 -0.149 397 HA ILE 52 HA ILE 52 -9.504 -13.002 2.651 398 HB ILE 52 HB ILE 52 -7.502 -14.182 2.292 399 1HG1 ILE 52 2HG1 ILE 52 -7.007 -14.497 -0.401 400 2HG1 ILE 52 3HG1 ILE 52 -7.328 -12.772 -0.328 401 1HG2 ILE 52 1HG2 ILE 52 -9.671 -15.270 1.826 402 2HG2 ILE 52 2HG2 ILE 52 -9.472 -14.908 0.099 403 3HG2 ILE 52 3HG2 ILE 52 -8.331 -15.986 0.919 404 1HD1 ILE 52 1HD1 ILE 52 -4.940 -13.197 0.018 405 2HD1 ILE 52 2HD1 ILE 52 -5.595 -12.662 1.580 406 3HD1 ILE 52 3HD1 ILE 52 -5.288 -14.380 1.289 407 H ILE 53 H ILE 53 -7.550 -10.879 0.463 408 HA ILE 53 HA ILE 53 -6.160 -9.994 2.895 409 HB ILE 53 HB ILE 53 -5.044 -10.557 0.734 410 1HG1 ILE 53 2HG1 ILE 53 -3.841 -9.576 2.537 411 2HG1 ILE 53 3HG1 ILE 53 -3.299 -8.934 0.980 412 1HG2 ILE 53 1HG2 ILE 53 -6.382 -9.342 -0.885 413 2HG2 ILE 53 2HG2 ILE 53 -5.915 -7.795 -0.150 414 3HG2 ILE 53 3HG2 ILE 53 -4.696 -8.811 -0.911 415 1HD1 ILE 53 1HD1 ILE 53 -4.687 -6.866 1.405 416 2HD1 ILE 53 2HD1 ILE 53 -5.022 -7.537 3.014 417 3HD1 ILE 53 3HD1 ILE 53 -3.363 -7.129 2.550 418 H GLY 54 H GLY 54 -6.876 -8.352 4.092 419 1HA GLY 54 2HA GLY 54 -9.077 -6.625 3.008 420 2HA GLY 54 1HA GLY 54 -8.811 -7.046 4.708 421 HA PRO 55 HA PRO 55 -6.622 -2.942 3.375 422 1HB PRO 55 2HB PRO 55 -8.173 -1.256 4.950 423 2HB PRO 55 3HB PRO 55 -8.437 -1.577 3.215 424 1HG PRO 55 2HG PRO 55 -9.805 -2.901 5.564 425 2HG PRO 55 3HG PRO 55 -10.555 -2.252 4.078 426 1HD PRO 55 2HD PRO 55 -10.066 -4.887 4.330 427 2HD PRO 55 3HD PRO 55 -9.733 -4.080 2.771 428 H ARG 56 H ARG 56 -8.047 -4.200 6.371 429 HA ARG 56 HA ARG 56 -6.383 -3.268 8.334 430 1HB ARG 56 2HB ARG 56 -7.009 -5.190 9.596 431 2HB ARG 56 3HB ARG 56 -8.372 -4.833 8.529 432 1HG ARG 56 2HG ARG 56 -7.301 -6.542 6.895 433 2HG ARG 56 3HG ARG 56 -6.256 -6.968 8.277 434 1HD ARG 56 2HD ARG 56 -8.206 -7.754 9.514 435 2HD ARG 56 3HD ARG 56 -9.240 -7.353 8.117 436 HE ARG 56 HE ARG 56 -6.783 -9.045 7.804 437 1HH1 ARG 56 2HH2 ARG 56 -10.311 -9.208 7.619 438 2HH1 ARG 56 1HH2 ARG 56 -10.302 -10.188 6.177 439 1HH2 ARG 56 2HH1 ARG 56 -6.799 -9.979 5.826 440 2HH2 ARG 56 1HH1 ARG 56 -8.182 -10.773 5.164 441 H ASP 57 H ASP 57 -5.546 -5.998 6.038 442 HA ASP 57 HA ASP 57 -3.223 -6.658 7.620 443 1HB ASP 57 2HB ASP 57 -3.638 -7.628 4.805 444 2HB ASP 57 3HB ASP 57 -2.851 -8.414 6.178 445 H ILE 58 H ILE 58 -3.879 -4.914 4.636 446 HA ILE 58 HA ILE 58 -1.229 -4.223 3.813 447 HB ILE 58 HB ILE 58 -3.772 -2.531 3.719 448 1HG1 ILE 58 2HG1 ILE 58 -2.643 -4.343 1.552 449 2HG1 ILE 58 3HG1 ILE 58 -4.044 -4.711 2.574 450 1HG2 ILE 58 1HG2 ILE 58 -2.668 -1.229 1.976 451 2HG2 ILE 58 2HG2 ILE 58 -1.697 -1.191 3.424 452 3HG2 ILE 58 3HG2 ILE 58 -1.226 -2.257 2.092 453 1HD1 ILE 58 1HD1 ILE 58 -5.122 -2.575 1.797 454 2HD1 ILE 58 2HD1 ILE 58 -3.836 -2.424 0.606 455 3HD1 ILE 58 3HD1 ILE 58 -4.923 -3.830 0.541 456 H ILE 59 H ILE 59 -3.603 -2.526 5.914 457 HA ILE 59 HA ILE 59 -1.923 -0.429 6.595 458 HB ILE 59 HB ILE 59 -4.376 -1.660 7.776 459 1HG1 ILE 59 2HG1 ILE 59 -3.933 1.137 6.717 460 2HG1 ILE 59 3HG1 ILE 59 -4.289 -0.242 5.677 461 1HG2 ILE 59 1HG2 ILE 59 -4.574 0.208 9.429 462 2HG2 ILE 59 2HG2 ILE 59 -3.289 -0.924 9.809 463 3HG2 ILE 59 3HG2 ILE 59 -2.891 0.647 9.095 464 1HD1 ILE 59 1HD1 ILE 59 -6.045 0.874 7.878 465 2HD1 ILE 59 2HD1 ILE 59 -6.322 0.877 6.126 466 3HD1 ILE 59 3HD1 ILE 59 -6.354 -0.661 7.023 467 H HIS 60 H HIS 60 -2.399 -3.525 8.293 468 HA HIS 60 HA HIS 60 -0.756 -3.080 10.565 469 1HB HIS 60 2HB HIS 60 -1.200 -5.671 9.045 470 2HB HIS 60 3HB HIS 60 -0.572 -5.510 10.684 471 HD1 HIS 60 1HD HIS 60 -3.213 -7.171 9.971 472 HD2 HIS 60 2HD HIS 60 -3.035 -3.210 11.394 473 HE1 HIS 60 1HE HIS 60 -5.453 -6.690 11.085 474 H THR 61 H THR 61 -0.098 -4.249 7.291 475 HA THR 61 HA THR 61 2.696 -4.854 7.740 476 HB THR 61 HB THR 61 1.074 -4.341 5.233 477 HG1 THR 61 1HG THR 61 0.441 -6.148 6.218 478 1HG2 THR 61 1HG2 THR 61 2.947 -5.448 4.021 479 2HG2 THR 61 2HG2 THR 61 3.481 -3.928 4.745 480 3HG2 THR 61 3HG2 THR 61 3.911 -5.464 5.521 481 H ILE 62 H ILE 62 0.974 -1.916 6.556 482 HA ILE 62 HA ILE 62 3.429 -0.580 5.813 483 HB ILE 62 HB ILE 62 0.605 0.429 6.219 484 1HG1 ILE 62 2HG1 ILE 62 1.070 -1.231 4.287 485 2HG1 ILE 62 3HG1 ILE 62 0.274 0.294 3.907 486 1HG2 ILE 62 1HG2 ILE 62 2.081 2.314 6.487 487 2HG2 ILE 62 2HG2 ILE 62 3.074 1.804 5.112 488 3HG2 ILE 62 3HG2 ILE 62 1.430 2.412 4.856 489 1HD1 ILE 62 1HD1 ILE 62 2.340 1.197 2.971 490 2HD1 ILE 62 2HD1 ILE 62 3.241 -0.242 3.496 491 3HD1 ILE 62 3HD1 ILE 62 1.977 -0.373 2.255 492 H GLU 63 H GLU 63 1.276 -0.418 8.716 493 HA GLU 63 HA GLU 63 2.843 1.623 9.989 494 1HB GLU 63 2HB GLU 63 1.736 1.029 12.012 495 2HB GLU 63 3HB GLU 63 0.576 1.132 10.676 496 1HG GLU 63 2HG GLU 63 0.609 -1.355 10.580 497 2HG GLU 63 3HG GLU 63 1.608 -1.387 12.043 498 H SER 64 H SER 64 2.940 -1.933 10.155 499 HA SER 64 HA SER 64 5.210 -2.190 11.802 500 1HB SER 64 2HB SER 64 4.524 -3.947 9.413 501 2HB SER 64 3HB SER 64 5.678 -4.328 10.701 502 HG SER 64 HG SER 64 2.888 -3.897 10.979 503 H LEU 65 H LEU 65 5.216 -1.630 8.213 504 HA LEU 65 HA LEU 65 8.084 -1.476 8.026 505 1HB LEU 65 2HB LEU 65 5.898 -0.166 6.363 506 2HB LEU 65 3HB LEU 65 7.612 -0.034 5.987 507 HG LEU 65 HG LEU 65 6.127 -2.677 6.160 508 1HD1 LEU 65 1HD1 LEU 65 5.304 -1.229 4.312 509 2HD1 LEU 65 2HD1 LEU 65 6.969 -1.068 3.712 510 3HD1 LEU 65 3HD1 LEU 65 6.163 -2.651 3.709 511 1HD2 LEU 65 1HD2 LEU 65 8.171 -3.480 4.870 512 2HD2 LEU 65 2HD2 LEU 65 8.925 -1.913 5.195 513 3HD2 LEU 65 3HD2 LEU 65 8.521 -3.015 6.531 514 H GLY 66 H GLY 66 5.632 0.948 8.838 515 1HA GLY 66 2HA GLY 66 6.187 2.505 10.598 516 2HA GLY 66 1HA GLY 66 7.816 2.688 9.950 517 H PHE 67 H PHE 67 4.667 2.699 8.192 518 HA PHE 67 HA PHE 67 4.929 5.657 7.824 519 1HB PHE 67 2HB PHE 67 3.860 3.830 5.673 520 2HB PHE 67 3HB PHE 67 4.311 5.515 5.535 521 HD1 PHE 67 1HD PHE 67 6.955 5.893 6.312 522 HD2 PHE 67 2HD PHE 67 5.323 2.248 4.697 523 HE1 PHE 67 1HE PHE 67 9.194 5.272 5.448 524 HE2 PHE 67 2HE PHE 67 7.572 1.602 3.898 525 HZ PHE 67 HZ PHE 67 9.502 3.122 4.235 526 H GLU 68 H GLU 68 2.735 6.678 7.472 527 HA GLU 68 HA GLU 68 0.686 5.275 9.061 528 1HB GLU 68 2HB GLU 68 0.735 8.068 7.905 529 2HB GLU 68 3HB GLU 68 -0.383 7.414 9.080 530 1HG GLU 68 2HG GLU 68 1.383 7.264 10.764 531 2HG GLU 68 3HG GLU 68 2.613 7.738 9.575 532 HA PRO 69 HA PRO 69 -1.013 4.454 4.828 533 1HB PRO 69 2HB PRO 69 -2.532 2.280 5.319 534 2HB PRO 69 3HB PRO 69 -0.759 2.188 5.340 535 1HG PRO 69 2HG PRO 69 -2.595 2.539 7.719 536 2HG PRO 69 3HG PRO 69 -1.270 1.353 7.524 537 1HD PRO 69 2HD PRO 69 -0.947 3.706 8.856 538 2HD PRO 69 3HD PRO 69 0.355 2.961 7.890 539 H SER 70 H SER 70 -2.017 6.593 5.211 540 HA SER 70 HA SER 70 -4.624 6.695 6.541 541 1HB SER 70 2HB SER 70 -3.255 8.760 4.784 542 2HB SER 70 3HB SER 70 -4.593 9.024 5.912 543 HG SER 70 HG SER 70 -1.987 8.068 6.589 544 H LEU 71 H LEU 71 -5.738 5.090 5.362 545 HA LEU 71 HA LEU 71 -6.103 4.946 2.604 546 1HB LEU 71 2HB LEU 71 -7.847 3.408 3.012 547 2HB LEU 71 3HB LEU 71 -6.490 3.103 4.080 548 HG LEU 71 HG LEU 71 -9.023 4.556 5.014 549 1HD1 LEU 71 1HD1 LEU 71 -9.599 2.327 4.169 550 2HD1 LEU 71 2HD1 LEU 71 -8.322 1.605 5.166 551 3HD1 LEU 71 3HD1 LEU 71 -9.717 2.392 5.933 552 1HD2 LEU 71 1HD2 LEU 71 -6.678 3.300 6.491 553 2HD2 LEU 71 2HD2 LEU 71 -7.273 4.978 6.595 554 3HD2 LEU 71 3HD2 LEU 71 -8.236 3.664 7.253 555 H VAL 72 H VAL 72 -6.363 7.495 2.514 556 HA VAL 72 HA VAL 72 -9.245 8.231 2.290 557 HB VAL 72 HB VAL 72 -6.798 9.961 2.741 558 1HG1 VAL 72 1HG1 VAL 72 -9.781 10.614 2.789 559 2HG1 VAL 72 2HG1 VAL 72 -8.475 11.731 3.237 560 3HG1 VAL 72 3HG1 VAL 72 -8.603 11.156 1.574 561 1HG2 VAL 72 1HG2 VAL 72 -7.238 8.634 4.770 562 2HG2 VAL 72 2HG2 VAL 72 -7.748 10.303 5.030 563 3HG2 VAL 72 3HG2 VAL 72 -8.963 9.054 4.692 564 H LYS 73 H LYS 73 -9.549 7.523 0.243 565 HA LYS 73 HA LYS 73 -7.796 8.370 -2.000 566 1HB LYS 73 2HB LYS 73 -9.449 6.972 -3.316 567 2HB LYS 73 3HB LYS 73 -8.336 6.114 -2.255 568 1HG LYS 73 2HG LYS 73 -11.101 6.792 -1.247 569 2HG LYS 73 3HG LYS 73 -10.880 5.453 -2.360 570 1HD LYS 73 2HD LYS 73 -9.560 4.192 -0.906 571 2HD LYS 73 3HD LYS 73 -9.106 5.557 0.096 572 1HE LYS 73 2HE LYS 73 -11.589 5.765 0.764 573 2HE LYS 73 3HE LYS 73 -11.845 4.212 -0.050 574 1HZ LYS 73 1HZ LYS 73 -10.054 4.755 2.236 575 2HZ LYS 73 2HZ LYS 73 -11.482 3.949 2.297 576 3HZ LYS 73 3HZ LYS 73 -10.201 3.283 1.501 577 H ILE 74 H ILE 74 -8.175 10.510 -2.437 578 HA ILE 74 HA ILE 74 -10.899 11.389 -3.090 579 HB ILE 74 HB ILE 74 -10.626 13.466 -1.784 580 1HG1 ILE 74 2HG1 ILE 74 -8.184 12.132 -0.520 581 2HG1 ILE 74 3HG1 ILE 74 -8.145 13.483 -1.657 582 1HG2 ILE 74 1HG2 ILE 74 -10.456 11.050 0.050 583 2HG2 ILE 74 2HG2 ILE 74 -11.266 12.598 0.361 584 3HG2 ILE 74 3HG2 ILE 74 -11.891 11.517 -0.883 585 1HD1 ILE 74 1HD1 ILE 74 -9.355 13.552 1.130 586 2HD1 ILE 74 2HD1 ILE 74 -7.889 14.360 0.556 587 3HD1 ILE 74 3HD1 ILE 74 -9.472 14.863 -0.068 588 H GLU 75 H GLU 75 -10.551 13.886 -3.880 589 HA GLU 75 HA GLU 75 -8.063 14.424 -5.155 590 1HB GLU 75 2HB GLU 75 -9.265 14.814 -7.362 591 2HB GLU 75 3HB GLU 75 -8.918 13.124 -6.976 592 1HG GLU 75 2HG GLU 75 -11.263 12.770 -6.270 593 2HG GLU 75 3HG GLU 75 -11.619 14.477 -6.587 Start of MODEL 23 1 1H MET 1 H1 MET 1 -14.087 -10.373 -5.058 2 2H MET 1 H2 MET 1 -15.721 -10.299 -5.097 3 3H MET 1 H3 MET 1 -14.926 -11.772 -5.021 4 HA MET 1 HA MET 1 -14.038 -11.513 -7.162 5 1HB MET 1 2HB MET 1 -17.004 -10.781 -7.145 6 2HB MET 1 3HB MET 1 -16.100 -11.330 -8.564 7 1HG MET 1 2HG MET 1 -15.648 -13.495 -7.492 8 2HG MET 1 3HG MET 1 -16.449 -12.963 -6.013 9 1HE MET 1 1HE MET 1 -16.967 -13.981 -9.766 10 2HE MET 1 2HE MET 1 -18.735 -13.867 -9.919 11 3HE MET 1 3HE MET 1 -17.770 -12.387 -9.761 12 H GLY 2 H GLY 2 -13.949 -10.140 -9.184 13 1HA GLY 2 2HA GLY 2 -13.349 -8.149 -10.178 14 2HA GLY 2 1HA GLY 2 -14.227 -7.246 -8.928 15 H ASP 3 H ASP 3 -11.890 -6.055 -9.530 16 HA ASP 3 HA ASP 3 -9.762 -7.031 -7.747 17 1HB ASP 3 2HB ASP 3 -8.491 -5.208 -8.807 18 2HB ASP 3 3HB ASP 3 -9.104 -6.393 -9.972 19 H GLY 4 H GLY 4 -9.530 -6.209 -5.745 20 1HA GLY 4 2HA GLY 4 -11.068 -3.878 -4.786 21 2HA GLY 4 1HA GLY 4 -9.913 -4.883 -3.879 22 H VAL 5 H VAL 5 -10.018 -1.872 -4.393 23 HA VAL 5 HA VAL 5 -7.159 -1.598 -4.871 24 HB VAL 5 HB VAL 5 -7.865 -1.427 -7.112 25 1HG1 VAL 5 1HG1 VAL 5 -10.281 -1.001 -6.856 26 2HG1 VAL 5 2HG1 VAL 5 -9.937 0.663 -6.330 27 3HG1 VAL 5 3HG1 VAL 5 -9.526 0.142 -7.970 28 1HG2 VAL 5 1HG2 VAL 5 -7.113 0.795 -7.715 29 2HG2 VAL 5 2HG2 VAL 5 -7.539 1.443 -6.128 30 3HG2 VAL 5 3HG2 VAL 5 -6.210 0.281 -6.278 31 H LEU 6 H LEU 6 -6.318 -0.180 -3.472 32 HA LEU 6 HA LEU 6 -7.910 2.208 -2.775 33 1HB LEU 6 2HB LEU 6 -6.580 0.409 -0.692 34 2HB LEU 6 3HB LEU 6 -6.977 2.108 -0.449 35 HG LEU 6 HG LEU 6 -9.425 1.335 -1.219 36 1HD1 LEU 6 1HD1 LEU 6 -8.748 -1.085 -1.533 37 2HD1 LEU 6 2HD1 LEU 6 -8.308 -1.113 0.186 38 3HD1 LEU 6 3HD1 LEU 6 -9.995 -0.859 -0.298 39 1HD2 LEU 6 1HD2 LEU 6 -8.246 0.949 1.563 40 2HD2 LEU 6 2HD2 LEU 6 -8.872 2.468 0.885 41 3HD2 LEU 6 3HD2 LEU 6 -9.974 1.114 1.183 42 H GLU 7 H GLU 7 -6.731 4.017 -2.763 43 HA GLU 7 HA GLU 7 -3.784 3.838 -3.029 44 1HB GLU 7 2HB GLU 7 -5.499 6.312 -3.397 45 2HB GLU 7 3HB GLU 7 -3.776 6.087 -3.669 46 1HG GLU 7 2HG GLU 7 -4.609 4.116 -5.274 47 2HG GLU 7 3HG GLU 7 -6.102 5.070 -5.306 48 H LEU 8 H LEU 8 -3.182 3.312 -1.025 49 HA LEU 8 HA LEU 8 -4.186 4.739 1.373 50 1HB LEU 8 2HB LEU 8 -2.153 2.519 0.925 51 2HB LEU 8 3HB LEU 8 -2.457 3.245 2.506 52 HG LEU 8 HG LEU 8 -4.856 2.283 0.980 53 1HD1 LEU 8 1HD1 LEU 8 -4.541 -0.023 1.880 54 2HD1 LEU 8 2HD1 LEU 8 -3.324 0.398 0.664 55 3HD1 LEU 8 3HD1 LEU 8 -2.899 0.429 2.392 56 1HD2 LEU 8 1HD2 LEU 8 -4.095 1.980 3.912 57 2HD2 LEU 8 2HD2 LEU 8 -4.925 3.398 3.260 58 3HD2 LEU 8 3HD2 LEU 8 -5.695 1.796 3.177 59 H VAL 9 H VAL 9 -3.393 6.743 1.624 60 HA VAL 9 HA VAL 9 -1.000 7.603 0.179 61 HB VAL 9 HB VAL 9 -2.725 9.181 2.104 62 1HG1 VAL 9 1HG1 VAL 9 -1.727 11.121 0.980 63 2HG1 VAL 9 2HG1 VAL 9 -0.433 10.119 1.657 64 3HG1 VAL 9 3HG1 VAL 9 -0.779 10.060 -0.079 65 1HG2 VAL 9 1HG2 VAL 9 -3.760 10.094 0.037 66 2HG2 VAL 9 2HG2 VAL 9 -2.854 8.914 -0.932 67 3HG2 VAL 9 3HG2 VAL 9 -4.089 8.365 0.216 68 H VAL 10 H VAL 10 0.944 7.009 0.994 69 HA VAL 10 HA VAL 10 1.165 6.091 3.778 70 HB VAL 10 HB VAL 10 3.457 5.440 2.978 71 1HG1 VAL 10 1HG1 VAL 10 2.602 3.419 1.868 72 2HG1 VAL 10 2HG1 VAL 10 1.561 3.882 3.221 73 3HG1 VAL 10 3HG1 VAL 10 1.050 4.228 1.560 74 1HG2 VAL 10 1HG2 VAL 10 2.346 5.853 0.173 75 2HG2 VAL 10 2HG2 VAL 10 3.571 6.900 0.920 76 3HG2 VAL 10 3HG2 VAL 10 3.915 5.191 0.632 77 H ARG 11 H ARG 11 0.761 8.091 4.704 78 HA ARG 11 HA ARG 11 2.570 10.353 4.258 79 1HB ARG 11 2HB ARG 11 0.421 9.672 6.282 80 2HB ARG 11 3HB ARG 11 1.453 11.108 6.448 81 1HG ARG 11 2HG ARG 11 0.673 11.995 4.340 82 2HG ARG 11 3HG ARG 11 -0.207 10.507 3.963 83 1HD ARG 11 2HD ARG 11 -1.547 12.544 4.840 84 2HD ARG 11 3HD ARG 11 -1.929 10.960 5.472 85 HE ARG 11 HE ARG 11 -0.429 13.148 6.839 86 1HH1 ARG 11 2HH2 ARG 11 -2.019 9.913 7.187 87 2HH1 ARG 11 1HH2 ARG 11 -1.792 9.940 8.916 88 1HH2 ARG 11 2HH1 ARG 11 0.021 12.936 9.090 89 2HH2 ARG 11 1HH1 ARG 11 -0.315 11.424 9.871 90 H GLY 12 H GLY 12 4.631 9.548 4.533 91 1HA GLY 12 2HA GLY 12 5.763 9.734 7.121 92 2HA GLY 12 1HA GLY 12 5.583 8.017 6.729 93 H MET 13 H MET 13 6.160 7.760 4.074 94 HA MET 13 HA MET 13 9.045 8.379 4.118 95 1HB MET 13 2HB MET 13 9.293 6.743 2.518 96 2HB MET 13 3HB MET 13 8.193 6.062 3.715 97 1HG MET 13 2HG MET 13 7.124 5.374 1.820 98 2HG MET 13 3HG MET 13 6.321 6.931 2.011 99 1HE MET 13 1HE MET 13 5.509 7.004 -0.498 100 2HE MET 13 2HE MET 13 6.541 6.556 -1.871 101 3HE MET 13 3HE MET 13 6.142 5.343 -0.637 102 H THR 14 H THR 14 10.065 9.267 2.222 103 HA THR 14 HA THR 14 8.396 10.117 0.026 104 HB THR 14 HB THR 14 8.098 11.901 1.805 105 HG1 THR 14 1HG THR 14 8.525 13.593 0.189 106 1HG2 THR 14 1HG2 THR 14 10.908 12.792 1.107 107 2HG2 THR 14 2HG2 THR 14 9.753 13.537 2.222 108 3HG2 THR 14 3HG2 THR 14 10.448 11.953 2.605 109 H CYS 15 H CYS 15 10.499 8.212 0.363 110 HA CYS 15 HA CYS 15 12.609 9.297 -1.403 111 1HB CYS 15 2HB CYS 15 14.212 8.104 0.303 112 2HB CYS 15 3HB CYS 15 13.687 9.771 0.512 113 H ALA 16 H ALA 16 13.399 7.869 -2.766 114 HA ALA 16 HA ALA 16 12.096 5.721 -3.764 115 1HB ALA 16 1HB ALA 16 13.983 6.809 -4.871 116 2HB ALA 16 2HB ALA 16 15.111 6.094 -3.694 117 3HB ALA 16 3HB ALA 16 14.212 5.047 -4.811 118 H SER 17 H SER 17 14.643 5.576 -1.256 119 HA SER 17 HA SER 17 15.063 3.014 -0.675 120 1HB SER 17 2HB SER 17 14.253 5.052 1.434 121 2HB SER 17 3HB SER 17 15.531 3.816 1.505 122 HG SER 17 HG SER 17 16.324 5.960 1.046 123 H CYS 18 H CYS 18 12.079 4.809 0.387 124 HA CYS 18 HA CYS 18 11.061 2.357 1.651 125 1HB CYS 18 2HB CYS 18 9.892 5.086 1.362 126 2HB CYS 18 3HB CYS 18 9.192 3.773 2.315 127 H VAL 19 H VAL 19 10.757 3.969 -1.418 128 HA VAL 19 HA VAL 19 8.166 3.037 -2.178 129 HB VAL 19 HB VAL 19 10.622 3.537 -3.926 130 1HG1 VAL 19 1HG1 VAL 19 9.169 3.914 -5.756 131 2HG1 VAL 19 2HG1 VAL 19 8.680 2.356 -5.076 132 3HG1 VAL 19 3HG1 VAL 19 7.725 3.826 -4.747 133 1HG2 VAL 19 1HG2 VAL 19 9.656 5.804 -4.205 134 2HG2 VAL 19 2HG2 VAL 19 8.434 5.416 -2.968 135 3HG2 VAL 19 3HG2 VAL 19 10.152 5.484 -2.535 136 H HIS 20 H HIS 20 11.481 1.716 -2.818 137 HA HIS 20 HA HIS 20 10.485 -0.669 -3.919 138 1HB HIS 20 2HB HIS 20 12.706 -1.507 -3.812 139 2HB HIS 20 3HB HIS 20 12.545 0.059 -4.586 140 HD1 HIS 20 1HD HIS 20 14.885 1.048 -4.237 141 HD2 HIS 20 2HD HIS 20 13.242 -0.739 -0.814 142 HE1 HIS 20 1HE HIS 20 16.629 1.289 -2.386 143 H LYS 21 H LYS 21 11.071 0.204 -0.529 144 HA LYS 21 HA LYS 21 10.899 -2.463 0.548 145 1HB LYS 21 2HB LYS 21 9.934 0.148 1.767 146 2HB LYS 21 3HB LYS 21 10.033 -1.390 2.613 147 1HG LYS 21 2HG LYS 21 12.458 -1.414 2.489 148 2HG LYS 21 3HG LYS 21 12.441 -0.002 1.441 149 1HD LYS 21 2HD LYS 21 11.004 1.057 3.459 150 2HD LYS 21 3HD LYS 21 11.804 -0.199 4.398 151 1HE LYS 21 2HE LYS 21 13.948 0.760 4.067 152 2HE LYS 21 3HE LYS 21 13.441 1.671 2.640 153 1HZ LYS 21 1HZ LYS 21 13.700 3.069 4.582 154 2HZ LYS 21 2HZ LYS 21 12.185 3.158 3.976 155 3HZ LYS 21 3HZ LYS 21 12.477 2.287 5.348 156 H ILE 22 H ILE 22 8.429 0.103 -0.087 157 HA ILE 22 HA ILE 22 6.267 -1.377 0.992 158 HB ILE 22 HB ILE 22 6.427 0.955 -0.929 159 1HG1 ILE 22 2HG1 ILE 22 5.270 0.730 1.837 160 2HG1 ILE 22 3HG1 ILE 22 6.985 1.080 1.539 161 1HG2 ILE 22 1HG2 ILE 22 4.336 -0.219 -1.557 162 2HG2 ILE 22 2HG2 ILE 22 3.960 -0.519 0.145 163 3HG2 ILE 22 3HG2 ILE 22 3.866 1.116 -0.505 164 1HD1 ILE 22 1HD1 ILE 22 4.666 2.844 0.689 165 2HD1 ILE 22 2HD1 ILE 22 5.789 3.144 2.011 166 3HD1 ILE 22 3HD1 ILE 22 6.395 3.136 0.349 167 H GLU 23 H GLU 23 7.247 -0.984 -2.488 168 HA GLU 23 HA GLU 23 5.137 -2.682 -3.343 169 1HB GLU 23 2HB GLU 23 6.217 -2.735 -5.497 170 2HB GLU 23 3HB GLU 23 6.208 -1.114 -4.777 171 1HG GLU 23 2HG GLU 23 8.586 -1.545 -4.059 172 2HG GLU 23 3HG GLU 23 8.582 -2.981 -5.096 173 H SER 24 H SER 24 8.606 -3.522 -2.773 174 HA SER 24 HA SER 24 8.404 -6.262 -3.358 175 1HB SER 24 2HB SER 24 10.088 -4.994 -1.152 176 2HB SER 24 3HB SER 24 10.350 -6.567 -1.932 177 HG SER 24 HG SER 24 10.611 -3.973 -3.014 178 H SER 25 H SER 25 7.814 -4.565 -0.284 179 HA SER 25 HA SER 25 7.261 -6.839 1.331 180 1HB SER 25 2HB SER 25 7.868 -4.590 2.164 181 2HB SER 25 3HB SER 25 6.306 -3.959 1.615 182 HG SER 25 HG SER 25 6.278 -4.556 3.839 183 H LEU 26 H LEU 26 5.122 -4.750 -0.665 184 HA LEU 26 HA LEU 26 2.732 -6.142 0.114 185 1HB LEU 26 2HB LEU 26 3.456 -4.050 -1.893 186 2HB LEU 26 3HB LEU 26 2.009 -4.993 -2.220 187 HG LEU 26 HG LEU 26 1.664 -2.873 -0.944 188 1HD1 LEU 26 1HD1 LEU 26 -0.024 -3.862 0.590 189 2HD1 LEU 26 2HD1 LEU 26 -0.065 -4.567 -1.020 190 3HD1 LEU 26 3HD1 LEU 26 0.660 -5.468 0.326 191 1HD2 LEU 26 1HD2 LEU 26 2.832 -4.385 1.444 192 2HD2 LEU 26 2HD2 LEU 26 3.508 -2.935 0.675 193 3HD2 LEU 26 3HD2 LEU 26 1.940 -2.871 1.492 194 H THR 27 H THR 27 4.825 -6.486 -2.782 195 HA THR 27 HA THR 27 3.255 -8.412 -4.060 196 HB THR 27 HB THR 27 5.308 -9.267 -5.136 197 HG1 THR 27 1HG THR 27 6.514 -7.737 -3.133 198 1HG2 THR 27 1HG2 THR 27 5.038 -6.238 -5.055 199 2HG2 THR 27 2HG2 THR 27 5.858 -7.186 -6.304 200 3HG2 THR 27 3HG2 THR 27 4.106 -7.349 -6.070 201 H LYS 28 H LYS 28 5.294 -8.954 -1.204 202 HA LYS 28 HA LYS 28 5.328 -11.778 -1.261 203 1HB LYS 28 2HB LYS 28 6.805 -10.832 0.210 204 2HB LYS 28 3HB LYS 28 5.676 -9.610 0.784 205 1HG LYS 28 2HG LYS 28 4.453 -11.147 2.099 206 2HG LYS 28 3HG LYS 28 5.372 -12.524 1.419 207 1HD LYS 28 2HD LYS 28 7.440 -11.681 2.499 208 2HD LYS 28 3HD LYS 28 6.608 -10.202 2.988 209 1HE LYS 28 2HE LYS 28 6.851 -11.726 4.899 210 2HE LYS 28 3HE LYS 28 5.152 -11.413 4.522 211 1HZ LYS 28 1HZ LYS 28 5.059 -13.536 3.415 212 2HZ LYS 28 2HZ LYS 28 6.650 -13.828 3.728 213 3HZ LYS 28 3HZ LYS 28 5.568 -13.731 4.964 214 H HIS 29 H HIS 29 2.658 -9.544 -0.451 215 HA HIS 29 HA HIS 29 1.015 -11.690 0.740 216 1HB HIS 29 2HB HIS 29 0.327 -8.906 -0.288 217 2HB HIS 29 3HB HIS 29 -0.832 -10.057 0.358 218 HD1 HIS 29 1HD HIS 29 -1.088 -10.167 2.956 219 HD2 HIS 29 2HD HIS 29 1.943 -7.672 1.467 220 HE1 HIS 29 1HE HIS 29 -0.456 -8.589 4.843 221 H ARG 30 H ARG 30 0.757 -13.370 -0.762 222 HA ARG 30 HA ARG 30 0.312 -13.418 -3.464 223 1HB ARG 30 2HB ARG 30 0.038 -15.483 -2.419 224 2HB ARG 30 3HB ARG 30 -1.083 -14.851 -1.218 225 1HG ARG 30 2HG ARG 30 -2.149 -16.404 -2.701 226 2HG ARG 30 3HG ARG 30 -2.939 -14.847 -2.764 227 1HD ARG 30 2HD ARG 30 -0.918 -15.702 -4.876 228 2HD ARG 30 3HD ARG 30 -2.582 -16.256 -4.952 229 HE ARG 30 HE ARG 30 -1.607 -13.465 -5.259 230 1HH1 ARG 30 2HH2 ARG 30 -4.544 -15.473 -5.203 231 2HH1 ARG 30 1HH2 ARG 30 -5.563 -14.080 -5.506 232 1HH2 ARG 30 2HH1 ARG 30 -2.938 -11.735 -5.648 233 2HH2 ARG 30 1HH1 ARG 30 -4.634 -11.987 -5.926 234 H GLY 31 H GLY 31 -2.243 -12.624 -1.078 235 1HA GLY 31 2HA GLY 31 -4.360 -12.157 -2.737 236 2HA GLY 31 1HA GLY 31 -4.116 -11.309 -1.212 237 H ILE 32 H ILE 32 -1.522 -10.026 -2.792 238 HA ILE 32 HA ILE 32 -3.057 -7.740 -3.678 239 HB ILE 32 HB ILE 32 -0.578 -8.153 -2.645 240 1HG1 ILE 32 2HG1 ILE 32 -1.954 -5.972 -3.218 241 2HG1 ILE 32 3HG1 ILE 32 -0.299 -6.031 -2.624 242 1HG2 ILE 32 1HG2 ILE 32 0.259 -9.318 -4.634 243 2HG2 ILE 32 2HG2 ILE 32 -0.014 -7.858 -5.611 244 3HG2 ILE 32 3HG2 ILE 32 1.150 -7.824 -4.274 245 1HD1 ILE 32 1HD1 ILE 32 -0.972 -5.760 -5.551 246 2HD1 ILE 32 2HD1 ILE 32 -0.627 -4.397 -4.482 247 3HD1 ILE 32 3HD1 ILE 32 0.629 -5.599 -4.804 248 H LEU 33 H LEU 33 -2.726 -6.974 -5.948 249 HA LEU 33 HA LEU 33 -1.944 -9.079 -7.892 250 1HB LEU 33 2HB LEU 33 -3.830 -8.919 -9.265 251 2HB LEU 33 3HB LEU 33 -4.343 -9.230 -7.626 252 HG LEU 33 HG LEU 33 -4.658 -6.595 -7.513 253 1HD1 LEU 33 1HD1 LEU 33 -5.519 -5.698 -9.663 254 2HD1 LEU 33 2HD1 LEU 33 -3.802 -6.094 -9.804 255 3HD1 LEU 33 3HD1 LEU 33 -5.019 -7.185 -10.489 256 1HD2 LEU 33 1HD2 LEU 33 -6.603 -8.424 -8.974 257 2HD2 LEU 33 2HD2 LEU 33 -6.409 -8.332 -7.214 258 3HD2 LEU 33 3HD2 LEU 33 -7.005 -6.926 -8.105 259 H TYR 34 H TYR 34 -2.223 -5.569 -7.211 260 HA TYR 34 HA TYR 34 0.179 -5.288 -8.821 261 1HB TYR 34 2HB TYR 34 -1.499 -5.018 -10.553 262 2HB TYR 34 3HB TYR 34 -2.418 -3.903 -9.550 263 HD1 TYR 34 HD1 TYR 34 -2.179 -1.603 -9.936 264 HD2 TYR 34 HD2 TYR 34 0.983 -4.285 -11.125 265 HE1 TYR 34 HE1 TYR 34 -1.144 0.206 -11.260 266 HE2 TYR 34 HE2 TYR 34 2.063 -2.444 -12.377 267 HH TYR 34 HH TYR 34 1.979 -0.206 -12.921 268 H CYS 35 H CYS 35 1.480 -4.033 -7.586 269 HA CYS 35 HA CYS 35 0.282 -1.961 -5.815 270 1HB CYS 35 2HB CYS 35 2.531 -1.869 -4.714 271 2HB CYS 35 3HB CYS 35 1.588 -3.275 -4.317 272 HG CYS 35 HG CYS 35 3.948 -2.910 -6.621 273 H SER 36 H SER 36 0.699 0.101 -6.402 274 HA SER 36 HA SER 36 3.246 0.695 -7.848 275 1HB SER 36 2HB SER 36 0.517 1.737 -8.700 276 2HB SER 36 3HB SER 36 2.076 2.440 -9.187 277 HG SER 36 HG SER 36 1.405 0.872 -10.717 278 H VAL 37 H VAL 37 3.863 1.102 -5.558 279 HA VAL 37 HA VAL 37 2.787 3.510 -4.413 280 HB VAL 37 HB VAL 37 3.626 1.523 -3.162 281 1HG1 VAL 37 1HG1 VAL 37 5.661 1.197 -4.807 282 2HG1 VAL 37 2HG1 VAL 37 6.440 2.384 -3.755 283 3HG1 VAL 37 3HG1 VAL 37 5.851 0.861 -3.087 284 1HG2 VAL 37 1HG2 VAL 37 5.080 2.730 -1.556 285 2HG2 VAL 37 2HG2 VAL 37 5.067 4.142 -2.617 286 3HG2 VAL 37 3HG2 VAL 37 3.547 3.532 -1.909 287 H ALA 38 H ALA 38 3.748 5.525 -4.281 288 HA ALA 38 HA ALA 38 6.243 6.053 -5.714 289 1HB ALA 38 1HB ALA 38 5.277 7.769 -7.159 290 2HB ALA 38 2HB ALA 38 4.599 6.174 -7.571 291 3HB ALA 38 3HB ALA 38 3.636 7.344 -6.627 292 H LEU 39 H LEU 39 7.242 7.794 -4.886 293 HA LEU 39 HA LEU 39 6.131 9.021 -2.495 294 1HB LEU 39 2HB LEU 39 8.214 10.046 -2.173 295 2HB LEU 39 3HB LEU 39 8.442 8.358 -2.615 296 HG LEU 39 HG LEU 39 8.762 9.456 -5.080 297 1HD1 LEU 39 1HD1 LEU 39 9.666 11.616 -3.101 298 2HD1 LEU 39 2HD1 LEU 39 10.042 11.587 -4.835 299 3HD1 LEU 39 3HD1 LEU 39 8.375 11.817 -4.294 300 1HD2 LEU 39 1HD2 LEU 39 10.378 8.037 -3.850 301 2HD2 LEU 39 2HD2 LEU 39 11.195 9.426 -4.597 302 3HD2 LEU 39 3HD2 LEU 39 10.831 9.431 -2.857 303 H ALA 40 H ALA 40 6.256 9.824 -5.865 304 HA ALA 40 HA ALA 40 6.234 12.509 -6.096 305 1HB ALA 40 1HB ALA 40 5.958 10.942 -7.969 306 2HB ALA 40 2HB ALA 40 4.288 10.599 -7.457 307 3HB ALA 40 3HB ALA 40 4.730 12.222 -8.029 308 H THR 41 H THR 41 3.459 10.627 -4.881 309 HA THR 41 HA THR 41 2.561 13.061 -3.484 310 HB THR 41 HB THR 41 1.256 13.094 -5.451 311 HG1 THR 41 1HG THR 41 -0.112 12.275 -3.121 312 1HG2 THR 41 1HG2 THR 41 0.144 10.387 -4.751 313 2HG2 THR 41 2HG2 THR 41 -0.376 11.440 -6.080 314 3HG2 THR 41 3HG2 THR 41 1.247 10.721 -6.114 315 H ASN 42 H ASN 42 4.050 10.926 -2.801 316 HA ASN 42 HA ASN 42 4.323 9.199 -1.242 317 1HB ASN 42 2HB ASN 42 2.570 11.130 0.308 318 2HB ASN 42 3HB ASN 42 3.762 10.008 0.981 319 1HD2 ASN 42 1HD2 ASN 42 6.081 10.512 0.716 320 2HD2 ASN 42 2HD2 ASN 42 6.609 12.033 0.021 321 H LYS 43 H LYS 43 2.717 8.085 -2.930 322 HA LYS 43 HA LYS 43 0.231 7.224 -1.513 323 1HB LYS 43 2HB LYS 43 -0.829 7.014 -3.623 324 2HB LYS 43 3HB LYS 43 -0.238 8.643 -3.415 325 1HG LYS 43 2HG LYS 43 1.343 8.427 -5.149 326 2HG LYS 43 3HG LYS 43 1.506 6.694 -4.955 327 1HD LYS 43 2HD LYS 43 0.345 7.149 -7.028 328 2HD LYS 43 3HD LYS 43 -0.648 6.228 -5.894 329 1HE LYS 43 2HE LYS 43 -1.809 8.395 -5.240 330 2HE LYS 43 3HE LYS 43 -0.913 9.206 -6.526 331 1HZ LYS 43 1HZ LYS 43 -2.223 8.204 -8.106 332 2HZ LYS 43 2HZ LYS 43 -2.478 6.835 -7.205 333 3HZ LYS 43 3HZ LYS 43 -3.295 8.111 -6.825 334 H ALA 44 H ALA 44 -0.250 5.069 -1.403 335 HA ALA 44 HA ALA 44 1.352 3.160 -3.014 336 1HB ALA 44 1HB ALA 44 0.161 2.517 -0.330 337 2HB ALA 44 2HB ALA 44 1.281 1.585 -1.371 338 3HB ALA 44 3HB ALA 44 1.845 3.043 -0.539 339 H HIS 45 H HIS 45 0.026 2.592 -4.717 340 HA HIS 45 HA HIS 45 -2.846 2.462 -4.494 341 1HB HIS 45 2HB HIS 45 -1.552 3.622 -6.317 342 2HB HIS 45 3HB HIS 45 -0.698 2.118 -6.663 343 HD1 HIS 45 1HD HIS 45 -3.711 3.983 -7.522 344 HD2 HIS 45 2HD HIS 45 -2.451 -0.031 -7.369 345 HE1 HIS 45 1HE HIS 45 -5.374 2.664 -8.862 346 H ILE 46 H ILE 46 -3.238 0.534 -3.300 347 HA ILE 46 HA ILE 46 -1.689 -1.915 -4.123 348 HB ILE 46 HB ILE 46 -3.310 -1.417 -1.592 349 1HG1 ILE 46 2HG1 ILE 46 -1.181 -2.017 -0.460 350 2HG1 ILE 46 3HG1 ILE 46 -0.340 -2.064 -2.014 351 1HG2 ILE 46 1HG2 ILE 46 -1.793 -3.858 -2.578 352 2HG2 ILE 46 2HG2 ILE 46 -2.597 -3.735 -1.015 353 3HG2 ILE 46 3HG2 ILE 46 -3.551 -3.770 -2.494 354 1HD1 ILE 46 1HD1 ILE 46 -0.423 0.263 -2.234 355 2HD1 ILE 46 2HD1 ILE 46 -1.721 0.444 -1.019 356 3HD1 ILE 46 3HD1 ILE 46 -0.080 -0.014 -0.515 357 H LYS 47 H LYS 47 -2.738 -3.037 -5.638 358 HA LYS 47 HA LYS 47 -5.699 -3.123 -5.607 359 1HB LYS 47 2HB LYS 47 -3.821 -4.146 -7.751 360 2HB LYS 47 3HB LYS 47 -5.571 -4.022 -7.797 361 1HG LYS 47 2HG LYS 47 -5.037 -1.394 -7.371 362 2HG LYS 47 3HG LYS 47 -3.443 -1.851 -7.912 363 1HD LYS 47 2HD LYS 47 -4.603 -1.174 -9.919 364 2HD LYS 47 3HD LYS 47 -4.578 -2.944 -9.965 365 1HE LYS 47 2HE LYS 47 -6.960 -2.763 -8.807 366 2HE LYS 47 3HE LYS 47 -6.890 -1.067 -9.281 367 1HZ LYS 47 1HZ LYS 47 -6.839 -1.776 -11.558 368 2HZ LYS 47 2HZ LYS 47 -6.691 -3.368 -11.112 369 3HZ LYS 47 3HZ LYS 47 -8.053 -2.577 -10.762 370 H TYR 48 H TYR 48 -6.647 -5.183 -5.275 371 HA TYR 48 HA TYR 48 -5.008 -7.527 -4.731 372 1HB TYR 48 2HB TYR 48 -5.557 -7.550 -2.329 373 2HB TYR 48 3HB TYR 48 -4.615 -6.131 -2.729 374 HD1 TYR 48 HD1 TYR 48 -7.918 -7.379 -1.634 375 HD2 TYR 48 HD2 TYR 48 -5.697 -3.845 -2.663 376 HE1 TYR 48 HE1 TYR 48 -9.167 -6.100 0.067 377 HE2 TYR 48 HE2 TYR 48 -6.788 -2.619 -0.833 378 HH TYR 48 HH TYR 48 -8.070 -2.878 1.104 379 H ASP 49 H ASP 49 -6.201 -9.365 -4.079 380 HA ASP 49 HA ASP 49 -8.743 -9.796 -5.294 381 1HB ASP 49 2HB ASP 49 -7.222 -11.377 -3.173 382 2HB ASP 49 3HB ASP 49 -8.646 -11.949 -4.046 383 HA PRO 50 HA PRO 50 -10.540 -7.778 -1.597 384 1HB PRO 50 2HB PRO 50 -12.964 -7.038 -2.532 385 2HB PRO 50 3HB PRO 50 -11.471 -6.363 -3.218 386 1HG PRO 50 2HG PRO 50 -13.094 -8.669 -4.298 387 2HG PRO 50 3HG PRO 50 -12.533 -7.229 -5.192 388 1HD PRO 50 2HD PRO 50 -11.169 -9.640 -5.174 389 2HD PRO 50 3HD PRO 50 -10.343 -8.072 -5.330 390 H GLU 51 H GLU 51 -10.276 -10.382 -1.216 391 HA GLU 51 HA GLU 51 -12.846 -11.333 -0.095 392 1HB GLU 51 2HB GLU 51 -11.085 -13.109 -1.866 393 2HB GLU 51 3HB GLU 51 -12.602 -13.524 -1.064 394 1HG GLU 51 2HG GLU 51 -13.677 -11.661 -2.445 395 2HG GLU 51 3HG GLU 51 -12.171 -11.601 -3.385 396 H ILE 52 H ILE 52 -9.443 -12.441 -0.588 397 HA ILE 52 HA ILE 52 -9.461 -13.611 2.080 398 HB ILE 52 HB ILE 52 -7.454 -14.587 1.587 399 1HG1 ILE 52 2HG1 ILE 52 -6.436 -14.042 -0.867 400 2HG1 ILE 52 3HG1 ILE 52 -6.951 -12.423 -0.399 401 1HG2 ILE 52 1HG2 ILE 52 -9.466 -15.453 0.404 402 2HG2 ILE 52 2HG2 ILE 52 -8.967 -14.562 -1.051 403 3HG2 ILE 52 3HG2 ILE 52 -7.943 -15.856 -0.403 404 1HD1 ILE 52 1HD1 ILE 52 -5.130 -14.346 1.151 405 2HD1 ILE 52 2HD1 ILE 52 -4.625 -12.861 0.340 406 3HD1 ILE 52 3HD1 ILE 52 -5.638 -12.777 1.789 407 H ILE 53 H ILE 53 -8.031 -10.781 0.630 408 HA ILE 53 HA ILE 53 -6.777 -10.058 3.243 409 HB ILE 53 HB ILE 53 -5.219 -10.545 1.434 410 1HG1 ILE 53 2HG1 ILE 53 -4.886 -7.587 1.645 411 2HG1 ILE 53 3HG1 ILE 53 -5.135 -8.454 3.162 412 1HG2 ILE 53 1HG2 ILE 53 -6.499 -9.909 -0.573 413 2HG2 ILE 53 2HG2 ILE 53 -6.439 -8.207 -0.059 414 3HG2 ILE 53 3HG2 ILE 53 -4.951 -9.050 -0.498 415 1HD1 ILE 53 1HD1 ILE 53 -3.351 -10.003 2.697 416 2HD1 ILE 53 2HD1 ILE 53 -3.069 -9.263 1.100 417 3HD1 ILE 53 3HD1 ILE 53 -2.746 -8.326 2.584 418 H GLY 54 H GLY 54 -7.070 -7.926 4.054 419 1HA GLY 54 2HA GLY 54 -9.149 -6.265 2.658 420 2HA GLY 54 1HA GLY 54 -9.068 -6.580 4.402 421 HA PRO 55 HA PRO 55 -6.563 -2.715 3.430 422 1HB PRO 55 2HB PRO 55 -7.858 -1.042 5.175 423 2HB PRO 55 3HB PRO 55 -8.366 -1.297 3.485 424 1HG PRO 55 2HG PRO 55 -9.484 -2.622 5.962 425 2HG PRO 55 3HG PRO 55 -10.385 -1.878 4.611 426 1HD PRO 55 2HD PRO 55 -9.978 -4.558 4.750 427 2HD PRO 55 3HD PRO 55 -9.925 -3.715 3.181 428 H ARG 56 H ARG 56 -7.898 -4.149 6.408 429 HA ARG 56 HA ARG 56 -6.128 -3.245 8.354 430 1HB ARG 56 2HB ARG 56 -7.812 -5.709 7.961 431 2HB ARG 56 3HB ARG 56 -6.498 -5.843 9.119 432 1HG ARG 56 2HG ARG 56 -8.467 -5.177 10.295 433 2HG ARG 56 3HG ARG 56 -7.259 -3.887 10.357 434 1HD ARG 56 2HD ARG 56 -8.476 -2.678 8.548 435 2HD ARG 56 3HD ARG 56 -9.691 -3.990 8.522 436 HE ARG 56 HE ARG 56 -9.398 -3.010 11.180 437 1HH1 ARG 56 2HH2 ARG 56 -10.663 -1.958 8.073 438 2HH1 ARG 56 1HH2 ARG 56 -11.849 -0.868 8.722 439 1HH2 ARG 56 2HH1 ARG 56 -10.954 -1.571 12.105 440 2HH2 ARG 56 1HH1 ARG 56 -12.011 -0.648 11.090 441 H ASP 57 H ASP 57 -5.672 -6.278 6.390 442 HA ASP 57 HA ASP 57 -3.279 -7.048 7.525 443 1HB ASP 57 2HB ASP 57 -3.902 -7.320 4.566 444 2HB ASP 57 3HB ASP 57 -3.007 -8.438 5.596 445 H ILE 58 H ILE 58 -3.739 -5.167 4.545 446 HA ILE 58 HA ILE 58 -1.063 -4.590 3.899 447 HB ILE 58 HB ILE 58 -3.565 -2.900 3.521 448 1HG1 ILE 58 2HG1 ILE 58 -2.229 -4.596 1.394 449 2HG1 ILE 58 3HG1 ILE 58 -3.448 -5.289 2.471 450 1HG2 ILE 58 1HG2 ILE 58 -1.659 -1.439 3.246 451 2HG2 ILE 58 2HG2 ILE 58 -0.786 -2.659 2.310 452 3HG2 ILE 58 3HG2 ILE 58 -2.208 -1.851 1.629 453 1HD1 ILE 58 1HD1 ILE 58 -5.074 -3.583 1.853 454 2HD1 ILE 58 2HD1 ILE 58 -3.924 -2.832 0.743 455 3HD1 ILE 58 3HD1 ILE 58 -4.508 -4.487 0.430 456 H ILE 59 H ILE 59 -3.399 -2.671 5.859 457 HA ILE 59 HA ILE 59 -1.628 -0.551 6.384 458 HB ILE 59 HB ILE 59 -4.103 -1.593 7.730 459 1HG1 ILE 59 2HG1 ILE 59 -3.601 1.006 6.226 460 2HG1 ILE 59 3HG1 ILE 59 -4.100 -0.484 5.436 461 1HG2 ILE 59 1HG2 ILE 59 -2.488 0.835 8.611 462 2HG2 ILE 59 2HG2 ILE 59 -4.165 0.523 9.094 463 3HG2 ILE 59 3HG2 ILE 59 -2.897 -0.588 9.579 464 1HD1 ILE 59 1HD1 ILE 59 -5.656 1.049 7.534 465 2HD1 ILE 59 2HD1 ILE 59 -6.058 0.795 5.826 466 3HD1 ILE 59 3HD1 ILE 59 -6.078 -0.586 6.957 467 H HIS 60 H HIS 60 -2.252 -3.533 8.279 468 HA HIS 60 HA HIS 60 -0.568 -2.887 10.499 469 1HB HIS 60 2HB HIS 60 -1.198 -5.623 9.340 470 2HB HIS 60 3HB HIS 60 -0.583 -5.276 10.959 471 HD1 HIS 60 1HD HIS 60 -3.302 -6.840 10.475 472 HD2 HIS 60 2HD HIS 60 -2.906 -2.713 11.210 473 HE1 HIS 60 1HE HIS 60 -5.530 -6.047 11.438 474 H THR 61 H THR 61 -0.016 -4.472 7.374 475 HA THR 61 HA THR 61 2.743 -5.134 7.866 476 HB THR 61 HB THR 61 1.116 -4.813 5.327 477 HG1 THR 61 1HG THR 61 1.971 -7.013 6.895 478 1HG2 THR 61 1HG2 THR 61 3.503 -4.574 4.713 479 2HG2 THR 61 2HG2 THR 61 3.921 -5.986 5.708 480 3HG2 THR 61 3HG2 THR 61 2.928 -6.179 4.251 481 H ILE 62 H ILE 62 1.210 -2.246 6.347 482 HA ILE 62 HA ILE 62 3.758 -1.091 5.610 483 HB ILE 62 HB ILE 62 0.967 0.074 5.851 484 1HG1 ILE 62 2HG1 ILE 62 1.415 -1.601 3.987 485 2HG1 ILE 62 3HG1 ILE 62 0.814 -0.010 3.517 486 1HG2 ILE 62 1HG2 ILE 62 3.574 1.358 4.998 487 2HG2 ILE 62 2HG2 ILE 62 2.004 1.993 4.475 488 3HG2 ILE 62 3HG2 ILE 62 2.410 1.954 6.192 489 1HD1 ILE 62 1HD1 ILE 62 2.541 -0.769 1.989 490 2HD1 ILE 62 2HD1 ILE 62 3.093 0.672 2.827 491 3HD1 ILE 62 3HD1 ILE 62 3.714 -0.929 3.309 492 H GLU 63 H GLU 63 1.453 -0.447 8.314 493 HA GLU 63 HA GLU 63 2.675 1.876 9.173 494 1HB GLU 63 2HB GLU 63 1.400 1.662 11.186 495 2HB GLU 63 3HB GLU 63 0.448 1.097 9.806 496 1HG GLU 63 2HG GLU 63 1.075 -1.265 10.494 497 2HG GLU 63 3HG GLU 63 1.773 -0.588 11.971 498 H SER 64 H SER 64 3.351 -1.373 10.107 499 HA SER 64 HA SER 64 5.333 -1.340 11.975 500 1HB SER 64 2HB SER 64 4.508 -3.326 10.682 501 2HB SER 64 3HB SER 64 5.538 -2.840 9.328 502 HG SER 64 HG SER 64 6.440 -3.436 11.961 503 H LEU 65 H LEU 65 5.877 -0.298 8.526 504 HA LEU 65 HA LEU 65 8.707 0.080 8.826 505 1HB LEU 65 2HB LEU 65 6.636 1.106 6.853 506 2HB LEU 65 3HB LEU 65 8.350 1.412 6.704 507 HG LEU 65 HG LEU 65 7.287 -0.456 5.344 508 1HD1 LEU 65 1HD1 LEU 65 9.413 -1.728 5.357 509 2HD1 LEU 65 2HD1 LEU 65 9.703 0.017 5.465 510 3HD1 LEU 65 3HD1 LEU 65 9.844 -0.997 6.918 511 1HD2 LEU 65 1HD2 LEU 65 6.148 -1.726 7.073 512 2HD2 LEU 65 2HD2 LEU 65 7.324 -2.710 6.201 513 3HD2 LEU 65 3HD2 LEU 65 7.713 -2.135 7.830 514 H GLY 66 H GLY 66 5.987 1.977 9.836 515 1HA GLY 66 2HA GLY 66 6.111 3.817 11.227 516 2HA GLY 66 1HA GLY 66 7.732 4.215 10.650 517 H PHE 67 H PHE 67 4.706 3.592 8.774 518 HA PHE 67 HA PHE 67 4.611 6.460 7.966 519 1HB PHE 67 2HB PHE 67 3.693 4.274 6.131 520 2HB PHE 67 3HB PHE 67 4.108 5.936 5.736 521 HD1 PHE 67 1HD PHE 67 6.946 6.073 6.874 522 HD2 PHE 67 2HD PHE 67 4.911 3.085 4.522 523 HE1 PHE 67 1HE PHE 67 9.118 5.134 6.176 524 HE2 PHE 67 2HE PHE 67 7.090 2.122 3.865 525 HZ PHE 67 HZ PHE 67 9.189 3.121 4.696 526 H GLU 68 H GLU 68 2.365 7.212 7.657 527 HA GLU 68 HA GLU 68 0.293 5.485 8.896 528 1HB GLU 68 2HB GLU 68 0.403 8.377 8.031 529 2HB GLU 68 3HB GLU 68 -1.048 7.545 8.589 530 1HG GLU 68 2HG GLU 68 0.063 7.121 10.782 531 2HG GLU 68 3HG GLU 68 1.501 7.994 10.204 532 HA PRO 69 HA PRO 69 -0.620 4.721 4.370 533 1HB PRO 69 2HB PRO 69 -1.935 2.359 4.616 534 2HB PRO 69 3HB PRO 69 -0.163 2.471 4.706 535 1HG PRO 69 2HG PRO 69 -2.132 2.420 6.994 536 2HG PRO 69 3HG PRO 69 -0.694 1.385 6.782 537 1HD PRO 69 2HD PRO 69 -0.656 3.612 8.330 538 2HD PRO 69 3HD PRO 69 0.755 3.174 7.324 539 H SER 70 H SER 70 -1.849 6.648 4.666 540 HA SER 70 HA SER 70 -4.318 6.659 6.152 541 1HB SER 70 2HB SER 70 -3.203 8.738 4.237 542 2HB SER 70 3HB SER 70 -4.374 8.997 5.539 543 HG SER 70 HG SER 70 -1.696 8.030 5.899 544 H LEU 71 H LEU 71 -6.068 5.604 5.337 545 HA LEU 71 HA LEU 71 -6.409 4.999 2.553 546 1HB LEU 71 2HB LEU 71 -8.490 3.935 3.267 547 2HB LEU 71 3HB LEU 71 -7.101 3.400 4.191 548 HG LEU 71 HG LEU 71 -8.516 5.666 5.480 549 1HD1 LEU 71 1HD1 LEU 71 -9.926 2.986 5.137 550 2HD1 LEU 71 2HD1 LEU 71 -10.425 4.295 6.231 551 3HD1 LEU 71 3HD1 LEU 71 -10.465 4.548 4.478 552 1HD2 LEU 71 1HD2 LEU 71 -8.273 4.239 7.458 553 2HD2 LEU 71 2HD2 LEU 71 -7.791 2.861 6.451 554 3HD2 LEU 71 3HD2 LEU 71 -6.729 4.271 6.595 555 H VAL 72 H VAL 72 -6.218 7.478 2.110 556 HA VAL 72 HA VAL 72 -8.704 8.984 2.176 557 HB VAL 72 HB VAL 72 -6.291 9.284 0.347 558 1HG1 VAL 72 1HG1 VAL 72 -8.480 11.259 1.137 559 2HG1 VAL 72 2HG1 VAL 72 -7.043 11.650 0.171 560 3HG1 VAL 72 3HG1 VAL 72 -8.252 10.533 -0.467 561 1HG2 VAL 72 1HG2 VAL 72 -5.553 11.057 1.963 562 2HG2 VAL 72 2HG2 VAL 72 -6.873 10.588 3.054 563 3HG2 VAL 72 3HG2 VAL 72 -5.548 9.458 2.708 564 H LYS 73 H LYS 73 -6.896 7.153 -0.352 565 HA LYS 73 HA LYS 73 -7.475 6.497 -2.424 566 1HB LYS 73 2HB LYS 73 -8.868 4.954 -1.242 567 2HB LYS 73 3HB LYS 73 -10.232 6.068 -1.253 568 1HG LYS 73 2HG LYS 73 -10.364 5.972 -3.701 569 2HG LYS 73 3HG LYS 73 -8.867 5.016 -3.775 570 1HD LYS 73 2HD LYS 73 -9.950 3.245 -2.436 571 2HD LYS 73 3HD LYS 73 -11.439 4.201 -2.350 572 1HE LYS 73 2HE LYS 73 -11.787 4.030 -4.755 573 2HE LYS 73 3HE LYS 73 -10.177 3.328 -5.002 574 1HZ LYS 73 1HZ LYS 73 -11.928 1.682 -5.061 575 2HZ LYS 73 2HZ LYS 73 -10.829 1.381 -3.881 576 3HZ LYS 73 3HZ LYS 73 -12.320 1.990 -3.490 577 H ILE 74 H ILE 74 -10.519 7.909 -1.974 578 HA ILE 74 HA ILE 74 -9.990 10.364 -3.428 579 HB ILE 74 HB ILE 74 -11.919 8.312 -4.626 580 1HG1 ILE 74 2HG1 ILE 74 -9.313 9.461 -5.729 581 2HG1 ILE 74 3HG1 ILE 74 -9.607 7.784 -5.242 582 1HG2 ILE 74 1HG2 ILE 74 -11.290 11.163 -5.517 583 2HG2 ILE 74 2HG2 ILE 74 -12.386 10.032 -6.341 584 3HG2 ILE 74 3HG2 ILE 74 -12.804 10.632 -4.755 585 1HD1 ILE 74 1HD1 ILE 74 -11.366 7.613 -7.025 586 2HD1 ILE 74 2HD1 ILE 74 -10.799 9.188 -7.641 587 3HD1 ILE 74 3HD1 ILE 74 -9.696 7.810 -7.593 588 H GLU 75 H GLU 75 -11.605 11.921 -2.839 589 HA GLU 75 HA GLU 75 -14.071 11.151 -1.620 590 1HB GLU 75 2HB GLU 75 -12.375 11.262 0.311 591 2HB GLU 75 3HB GLU 75 -12.086 12.951 -0.137 592 1HG GLU 75 2HG GLU 75 -14.446 13.485 0.344 593 2HG GLU 75 3HG GLU 75 -14.783 11.777 0.675 Start of MODEL 24 1 1H MET 1 H1 MET 1 -11.575 -9.534 -6.940 2 2H MET 1 H2 MET 1 -11.943 -10.798 -5.905 3 3H MET 1 H3 MET 1 -10.707 -10.910 -6.965 4 HA MET 1 HA MET 1 -12.311 -12.137 -8.016 5 1HB MET 1 2HB MET 1 -14.098 -11.592 -6.446 6 2HB MET 1 3HB MET 1 -14.334 -10.006 -7.156 7 1HG MET 1 2HG MET 1 -14.894 -11.195 -9.354 8 2HG MET 1 3HG MET 1 -14.791 -12.722 -8.469 9 1HE MET 1 1HE MET 1 -16.474 -13.390 -6.519 10 2HE MET 1 2HE MET 1 -16.237 -11.857 -5.638 11 3HE MET 1 3HE MET 1 -17.877 -12.402 -6.044 12 H GLY 2 H GLY 2 -13.713 -8.937 -8.631 13 1HA GLY 2 2HA GLY 2 -11.857 -8.291 -10.847 14 2HA GLY 2 1HA GLY 2 -13.082 -7.239 -10.102 15 H ASP 3 H ASP 3 -10.669 -6.019 -10.209 16 HA ASP 3 HA ASP 3 -8.966 -6.626 -7.949 17 1HB ASP 3 2HB ASP 3 -7.867 -4.516 -8.637 18 2HB ASP 3 3HB ASP 3 -7.976 -5.720 -9.935 19 H GLY 4 H GLY 4 -9.444 -6.082 -5.942 20 1HA GLY 4 2HA GLY 4 -11.310 -3.910 -5.195 21 2HA GLY 4 1HA GLY 4 -10.342 -4.930 -4.108 22 H VAL 5 H VAL 5 -10.493 -1.850 -4.729 23 HA VAL 5 HA VAL 5 -7.571 -1.399 -5.144 24 HB VAL 5 HB VAL 5 -8.102 0.566 -6.388 25 1HG1 VAL 5 1HG1 VAL 5 -9.824 -1.700 -7.486 26 2HG1 VAL 5 2HG1 VAL 5 -9.018 -0.426 -8.400 27 3HG1 VAL 5 3HG1 VAL 5 -8.055 -1.670 -7.565 28 1HG2 VAL 5 1HG2 VAL 5 -11.056 -0.073 -5.970 29 2HG2 VAL 5 2HG2 VAL 5 -10.180 1.362 -5.391 30 3HG2 VAL 5 3HG2 VAL 5 -10.417 1.116 -7.119 31 H LEU 6 H LEU 6 -6.580 -0.210 -3.581 32 HA LEU 6 HA LEU 6 -8.230 1.643 -1.952 33 1HB LEU 6 2HB LEU 6 -6.238 -0.382 -0.890 34 2HB LEU 6 3HB LEU 6 -6.754 1.041 0.027 35 HG LEU 6 HG LEU 6 -8.751 -0.951 -1.033 36 1HD1 LEU 6 1HD1 LEU 6 -8.727 -1.961 1.255 37 2HD1 LEU 6 2HD1 LEU 6 -7.156 -2.144 0.453 38 3HD1 LEU 6 3HD1 LEU 6 -7.375 -0.894 1.692 39 1HD2 LEU 6 1HD2 LEU 6 -9.727 1.203 -0.384 40 2HD2 LEU 6 2HD2 LEU 6 -10.198 -0.073 0.739 41 3HD2 LEU 6 3HD2 LEU 6 -8.937 1.079 1.202 42 H GLU 7 H GLU 7 -7.395 3.539 -1.893 43 HA GLU 7 HA GLU 7 -4.536 4.035 -2.642 44 1HB GLU 7 2HB GLU 7 -7.022 5.663 -3.251 45 2HB GLU 7 3HB GLU 7 -5.395 6.322 -3.215 46 1HG GLU 7 2HG GLU 7 -4.771 4.402 -4.849 47 2HG GLU 7 3HG GLU 7 -6.510 4.319 -5.166 48 H LEU 8 H LEU 8 -3.745 3.894 -0.643 49 HA LEU 8 HA LEU 8 -4.769 5.736 1.474 50 1HB LEU 8 2HB LEU 8 -3.109 4.351 2.888 51 2HB LEU 8 3HB LEU 8 -4.684 3.670 2.548 52 HG LEU 8 HG LEU 8 -2.386 2.998 0.702 53 1HD1 LEU 8 1HD1 LEU 8 -1.545 2.623 2.986 54 2HD1 LEU 8 2HD1 LEU 8 -2.979 1.614 3.333 55 3HD1 LEU 8 3HD1 LEU 8 -1.794 1.102 2.118 56 1HD2 LEU 8 1HD2 LEU 8 -4.698 2.158 0.114 57 2HD2 LEU 8 2HD2 LEU 8 -3.636 0.829 0.549 58 3HD2 LEU 8 3HD2 LEU 8 -4.819 1.424 1.720 59 H VAL 9 H VAL 9 -3.443 7.370 2.140 60 HA VAL 9 HA VAL 9 -0.983 7.807 0.595 61 HB VAL 9 HB VAL 9 -2.556 9.685 0.867 62 1HG1 VAL 9 1HG1 VAL 9 -3.114 9.372 3.284 63 2HG1 VAL 9 2HG1 VAL 9 -1.460 9.877 3.699 64 3HG1 VAL 9 3HG1 VAL 9 -2.557 11.004 2.879 65 1HG2 VAL 9 1HG2 VAL 9 -0.285 10.064 0.175 66 2HG2 VAL 9 2HG2 VAL 9 -0.750 11.341 1.301 67 3HG2 VAL 9 3HG2 VAL 9 0.295 10.017 1.858 68 H VAL 10 H VAL 10 0.825 6.993 1.333 69 HA VAL 10 HA VAL 10 0.943 5.737 4.009 70 HB VAL 10 HB VAL 10 2.975 4.656 2.888 71 1HG1 VAL 10 1HG1 VAL 10 1.544 2.965 1.811 72 2HG1 VAL 10 2HG1 VAL 10 0.809 3.519 3.327 73 3HG1 VAL 10 3HG1 VAL 10 0.182 4.105 1.778 74 1HG2 VAL 10 1HG2 VAL 10 3.055 4.545 0.498 75 2HG2 VAL 10 2HG2 VAL 10 1.535 5.404 0.306 76 3HG2 VAL 10 3HG2 VAL 10 2.968 6.272 0.882 77 H ARG 11 H ARG 11 1.318 7.575 5.287 78 HA ARG 11 HA ARG 11 3.234 9.575 4.361 79 1HB ARG 11 2HB ARG 11 2.041 9.388 7.148 80 2HB ARG 11 3HB ARG 11 2.747 10.787 6.345 81 1HG ARG 11 2HG ARG 11 0.882 10.620 4.617 82 2HG ARG 11 3HG ARG 11 0.139 9.375 5.649 83 1HD ARG 11 2HD ARG 11 0.113 11.027 7.546 84 2HD ARG 11 3HD ARG 11 0.745 12.252 6.457 85 HE ARG 11 HE ARG 11 -1.243 12.263 5.185 86 1HH1 ARG 11 2HH2 ARG 11 -1.610 10.154 8.093 87 2HH1 ARG 11 1HH2 ARG 11 -3.298 9.968 7.813 88 1HH2 ARG 11 2HH1 ARG 11 -3.533 11.817 4.882 89 2HH2 ARG 11 1HH1 ARG 11 -4.254 10.634 5.963 90 H GLY 12 H GLY 12 5.390 9.677 4.836 91 1HA GLY 12 2HA GLY 12 7.022 9.297 6.752 92 2HA GLY 12 1HA GLY 12 6.571 7.594 6.641 93 H MET 13 H MET 13 6.330 8.148 3.472 94 HA MET 13 HA MET 13 8.848 7.082 2.818 95 1HB MET 13 2HB MET 13 6.868 8.692 1.156 96 2HB MET 13 3HB MET 13 8.219 7.731 0.526 97 1HG MET 13 2HG MET 13 7.212 5.678 1.287 98 2HG MET 13 3HG MET 13 5.947 6.522 2.179 99 1HE MET 13 1HE MET 13 6.180 6.670 -2.412 100 2HE MET 13 2HE MET 13 7.039 7.794 -1.330 101 3HE MET 13 3HE MET 13 7.487 6.065 -1.352 102 H THR 14 H THR 14 10.708 8.027 1.986 103 HA THR 14 HA THR 14 10.843 10.942 1.590 104 HB THR 14 HB THR 14 11.243 10.648 3.990 105 HG1 THR 14 1HG THR 14 13.310 11.510 2.293 106 1HG2 THR 14 1HG2 THR 14 13.276 9.560 4.811 107 2HG2 THR 14 2HG2 THR 14 12.234 8.379 4.003 108 3HG2 THR 14 3HG2 THR 14 13.683 9.000 3.180 109 H CYS 15 H CYS 15 11.995 7.797 0.524 110 HA CYS 15 HA CYS 15 13.525 9.079 -1.519 111 1HB CYS 15 2HB CYS 15 15.697 7.981 -0.894 112 2HB CYS 15 3HB CYS 15 15.229 9.276 0.190 113 H ALA 16 H ALA 16 14.657 7.295 -2.800 114 HA ALA 16 HA ALA 16 12.863 5.525 -3.890 115 1HB ALA 16 1HB ALA 16 15.890 5.215 -3.735 116 2HB ALA 16 2HB ALA 16 14.815 4.410 -4.898 117 3HB ALA 16 3HB ALA 16 14.990 6.175 -4.933 118 H SER 17 H SER 17 15.106 4.880 -1.171 119 HA SER 17 HA SER 17 14.829 2.181 -0.784 120 1HB SER 17 2HB SER 17 14.819 4.318 1.365 121 2HB SER 17 3HB SER 17 15.359 2.635 1.521 122 HG SER 17 HG SER 17 16.934 3.106 -0.114 123 H CYS 18 H CYS 18 12.504 4.760 0.117 124 HA CYS 18 HA CYS 18 10.788 2.968 1.590 125 1HB CYS 18 2HB CYS 18 10.261 5.747 0.508 126 2HB CYS 18 3HB CYS 18 9.315 4.875 1.715 127 H VAL 19 H VAL 19 10.972 4.245 -1.698 128 HA VAL 19 HA VAL 19 8.348 3.540 -2.578 129 HB VAL 19 HB VAL 19 10.930 3.718 -4.206 130 1HG1 VAL 19 1HG1 VAL 19 9.029 2.655 -5.426 131 2HG1 VAL 19 2HG1 VAL 19 8.044 4.093 -5.086 132 3HG1 VAL 19 3HG1 VAL 19 9.491 4.224 -6.096 133 1HG2 VAL 19 1HG2 VAL 19 10.271 6.043 -4.651 134 2HG2 VAL 19 2HG2 VAL 19 8.941 5.889 -3.476 135 3HG2 VAL 19 3HG2 VAL 19 10.634 5.776 -2.945 136 H HIS 20 H HIS 20 11.557 1.905 -3.048 137 HA HIS 20 HA HIS 20 10.236 -0.412 -4.065 138 1HB HIS 20 2HB HIS 20 12.416 -1.374 -4.230 139 2HB HIS 20 3HB HIS 20 12.241 0.203 -4.991 140 HD1 HIS 20 1HD HIS 20 14.686 0.939 -5.032 141 HD2 HIS 20 2HD HIS 20 13.419 -0.590 -1.337 142 HE1 HIS 20 1HE HIS 20 16.714 0.999 -3.485 143 H LYS 21 H LYS 21 11.333 0.420 -0.753 144 HA LYS 21 HA LYS 21 10.885 -2.091 0.496 145 1HB LYS 21 2HB LYS 21 10.313 0.768 1.325 146 2HB LYS 21 3HB LYS 21 9.625 -0.562 2.238 147 1HG LYS 21 2HG LYS 21 11.825 -1.439 2.798 148 2HG LYS 21 3HG LYS 21 12.593 -0.208 1.793 149 1HD LYS 21 2HD LYS 21 12.741 0.541 4.074 150 2HD LYS 21 3HD LYS 21 11.595 1.580 3.229 151 1HE LYS 21 2HE LYS 21 9.716 0.102 4.264 152 2HE LYS 21 3HE LYS 21 10.980 -0.668 5.220 153 1HZ LYS 21 1HZ LYS 21 10.210 2.188 5.284 154 2HZ LYS 21 2HZ LYS 21 9.836 1.054 6.396 155 3HZ LYS 21 3HZ LYS 21 11.404 1.513 6.203 156 H ILE 22 H ILE 22 8.510 0.529 -0.274 157 HA ILE 22 HA ILE 22 6.305 -0.997 0.605 158 HB ILE 22 HB ILE 22 6.510 1.429 -1.174 159 1HG1 ILE 22 2HG1 ILE 22 5.416 1.060 1.636 160 2HG1 ILE 22 3HG1 ILE 22 7.125 1.407 1.314 161 1HG2 ILE 22 1HG2 ILE 22 4.011 0.010 -0.119 162 2HG2 ILE 22 2HG2 ILE 22 4.004 1.662 -0.746 163 3HG2 ILE 22 3HG2 ILE 22 4.430 0.329 -1.816 164 1HD1 ILE 22 1HD1 ILE 22 6.461 3.509 0.156 165 2HD1 ILE 22 2HD1 ILE 22 4.791 3.213 0.710 166 3HD1 ILE 22 3HD1 ILE 22 6.078 3.463 1.889 167 H GLU 23 H GLU 23 7.259 -0.352 -2.878 168 HA GLU 23 HA GLU 23 5.234 -2.001 -3.904 169 1HB GLU 23 2HB GLU 23 7.993 -1.499 -5.102 170 2HB GLU 23 3HB GLU 23 6.633 -2.273 -5.922 171 1HG GLU 23 2HG GLU 23 5.259 -0.177 -5.404 172 2HG GLU 23 3HG GLU 23 6.798 0.580 -4.946 173 H SER 24 H SER 24 8.627 -2.997 -3.149 174 HA SER 24 HA SER 24 8.272 -5.707 -3.928 175 1HB SER 24 2HB SER 24 10.461 -4.582 -3.557 176 2HB SER 24 3HB SER 24 10.157 -4.581 -1.807 177 HG SER 24 HG SER 24 11.417 -6.387 -2.575 178 H SER 25 H SER 25 8.029 -4.164 -0.662 179 HA SER 25 HA SER 25 7.615 -6.684 0.575 180 1HB SER 25 2HB SER 25 8.546 -4.621 1.675 181 2HB SER 25 3HB SER 25 6.888 -3.984 1.746 182 HG SER 25 HG SER 25 7.548 -5.094 3.652 183 H LEU 26 H LEU 26 5.309 -4.172 -0.567 184 HA LEU 26 HA LEU 26 3.019 -5.532 0.538 185 1HB LEU 26 2HB LEU 26 3.401 -3.361 -1.527 186 2HB LEU 26 3HB LEU 26 1.849 -4.139 -1.340 187 HG LEU 26 HG LEU 26 2.078 -2.036 -0.095 188 1HD1 LEU 26 1HD1 LEU 26 0.852 -2.753 1.851 189 2HD1 LEU 26 2HD1 LEU 26 0.401 -3.803 0.506 190 3HD1 LEU 26 3HD1 LEU 26 1.520 -4.375 1.765 191 1HD2 LEU 26 1HD2 LEU 26 3.846 -3.604 1.845 192 2HD2 LEU 26 2HD2 LEU 26 4.391 -2.272 0.807 193 3HD2 LEU 26 3HD2 LEU 26 3.211 -1.972 2.072 194 H THR 27 H THR 27 4.655 -5.624 -2.681 195 HA THR 27 HA THR 27 2.821 -7.380 -3.900 196 HB THR 27 HB THR 27 5.820 -7.159 -4.345 197 HG1 THR 27 1HG THR 27 4.801 -5.241 -4.743 198 1HG2 THR 27 1HG2 THR 27 5.009 -9.222 -5.411 199 2HG2 THR 27 2HG2 THR 27 3.618 -8.348 -6.093 200 3HG2 THR 27 3HG2 THR 27 5.266 -7.975 -6.639 201 H LYS 28 H LYS 28 5.237 -8.157 -1.404 202 HA LYS 28 HA LYS 28 5.200 -10.961 -1.758 203 1HB LYS 28 2HB LYS 28 6.694 -10.784 -0.177 204 2HB LYS 28 3HB LYS 28 6.243 -9.134 0.173 205 1HG LYS 28 2HG LYS 28 4.462 -10.043 1.782 206 2HG LYS 28 3HG LYS 28 4.999 -11.660 1.315 207 1HD LYS 28 2HD LYS 28 6.111 -11.465 3.273 208 2HD LYS 28 3HD LYS 28 7.359 -10.911 2.164 209 1HE LYS 28 2HE LYS 28 5.493 -9.209 3.916 210 2HE LYS 28 3HE LYS 28 7.229 -9.464 4.155 211 1HZ LYS 28 1HZ LYS 28 5.962 -8.025 1.913 212 2HZ LYS 28 2HZ LYS 28 6.868 -7.335 3.074 213 3HZ LYS 28 3HZ LYS 28 7.566 -8.360 2.010 214 H HIS 29 H HIS 29 2.612 -8.866 -0.518 215 HA HIS 29 HA HIS 29 1.112 -11.012 0.760 216 1HB HIS 29 2HB HIS 29 0.204 -8.391 -0.478 217 2HB HIS 29 3HB HIS 29 -0.841 -9.518 0.371 218 HD1 HIS 29 1HD HIS 29 -0.310 -9.781 3.091 219 HD2 HIS 29 2HD HIS 29 1.005 -6.459 0.906 220 HE1 HIS 29 1HE HIS 29 -0.167 -7.838 4.729 221 H ARG 30 H ARG 30 0.798 -12.789 -0.522 222 HA ARG 30 HA ARG 30 0.465 -13.052 -3.221 223 1HB ARG 30 2HB ARG 30 0.568 -14.877 -1.553 224 2HB ARG 30 3HB ARG 30 -1.101 -14.531 -1.063 225 1HG ARG 30 2HG ARG 30 -1.903 -15.124 -3.325 226 2HG ARG 30 3HG ARG 30 -0.228 -15.372 -3.866 227 1HD ARG 30 2HD ARG 30 0.041 -17.193 -2.223 228 2HD ARG 30 3HD ARG 30 -1.620 -16.913 -1.632 229 HE ARG 30 HE ARG 30 -1.736 -17.343 -4.426 230 1HH1 ARG 30 2HH2 ARG 30 -0.981 -19.129 -1.491 231 2HH1 ARG 30 1HH2 ARG 30 -1.470 -20.681 -2.095 232 1HH2 ARG 30 2HH1 ARG 30 -2.406 -19.389 -5.286 233 2HH2 ARG 30 1HH1 ARG 30 -2.302 -20.824 -4.322 234 H GLY 31 H GLY 31 -1.986 -11.799 -0.976 235 1HA GLY 31 2HA GLY 31 -4.202 -11.925 -2.833 236 2HA GLY 31 1HA GLY 31 -4.135 -11.029 -1.317 237 H ILE 32 H ILE 32 -1.511 -9.685 -2.567 238 HA ILE 32 HA ILE 32 -3.023 -7.472 -3.803 239 HB ILE 32 HB ILE 32 -0.395 -7.702 -2.472 240 1HG1 ILE 32 2HG1 ILE 32 -2.240 -5.359 -3.126 241 2HG1 ILE 32 3HG1 ILE 32 -2.447 -6.434 -1.720 242 1HG2 ILE 32 1HG2 ILE 32 0.703 -5.918 -3.719 243 2HG2 ILE 32 2HG2 ILE 32 0.469 -7.307 -4.758 244 3HG2 ILE 32 3HG2 ILE 32 -0.619 -5.904 -4.898 245 1HD1 ILE 32 1HD1 ILE 32 -0.195 -4.494 -2.266 246 2HD1 ILE 32 2HD1 ILE 32 -1.320 -4.526 -0.906 247 3HD1 ILE 32 3HD1 ILE 32 -0.075 -5.781 -1.036 248 H LEU 33 H LEU 33 -3.009 -7.069 -5.905 249 HA LEU 33 HA LEU 33 -1.589 -8.997 -7.680 250 1HB LEU 33 2HB LEU 33 -3.185 -8.649 -9.320 251 2HB LEU 33 3HB LEU 33 -4.007 -8.964 -7.813 252 HG LEU 33 HG LEU 33 -3.957 -6.214 -7.769 253 1HD1 LEU 33 1HD1 LEU 33 -4.346 -7.012 -10.677 254 2HD1 LEU 33 2HD1 LEU 33 -4.624 -5.403 -9.986 255 3HD1 LEU 33 3HD1 LEU 33 -2.981 -6.070 -10.040 256 1HD2 LEU 33 1HD2 LEU 33 -5.892 -7.705 -7.331 257 2HD2 LEU 33 2HD2 LEU 33 -6.308 -6.329 -8.356 258 3HD2 LEU 33 3HD2 LEU 33 -6.089 -7.939 -9.079 259 H TYR 34 H TYR 34 -1.939 -5.462 -6.872 260 HA TYR 34 HA TYR 34 0.821 -5.352 -7.537 261 1HB TYR 34 2HB TYR 34 -0.031 -4.940 -9.833 262 2HB TYR 34 3HB TYR 34 -1.066 -3.660 -9.214 263 HD1 TYR 34 HD1 TYR 34 2.606 -4.314 -8.469 264 HD2 TYR 34 HD2 TYR 34 -0.271 -1.846 -10.531 265 HE1 TYR 34 HE1 TYR 34 4.271 -2.491 -8.621 266 HE2 TYR 34 HE2 TYR 34 1.488 -0.148 -10.912 267 HH TYR 34 HH TYR 34 4.526 -0.178 -9.027 268 H CYS 35 H CYS 35 1.839 -3.601 -6.446 269 HA CYS 35 HA CYS 35 0.075 -1.637 -5.034 270 1HB CYS 35 2HB CYS 35 1.236 -2.861 -3.291 271 2HB CYS 35 3HB CYS 35 2.780 -2.736 -4.172 272 HG CYS 35 HG CYS 35 2.859 -1.114 -2.199 273 H SER 36 H SER 36 0.176 0.172 -6.301 274 HA SER 36 HA SER 36 2.836 0.912 -7.483 275 1HB SER 36 2HB SER 36 0.511 0.767 -8.859 276 2HB SER 36 3HB SER 36 0.351 2.409 -8.251 277 HG SER 36 HG SER 36 2.669 1.403 -9.575 278 H VAL 37 H VAL 37 3.821 1.797 -5.631 279 HA VAL 37 HA VAL 37 2.400 3.993 -4.315 280 HB VAL 37 HB VAL 37 3.876 2.173 -3.204 281 1HG1 VAL 37 1HG1 VAL 37 5.826 2.621 -4.783 282 2HG1 VAL 37 2HG1 VAL 37 6.071 4.144 -3.891 283 3HG1 VAL 37 3HG1 VAL 37 6.207 2.587 -3.053 284 1HG2 VAL 37 1HG2 VAL 37 4.655 3.800 -1.498 285 2HG2 VAL 37 2HG2 VAL 37 4.141 5.127 -2.557 286 3HG2 VAL 37 3HG2 VAL 37 2.948 3.961 -1.937 287 H ALA 38 H ALA 38 3.003 6.179 -4.447 288 HA ALA 38 HA ALA 38 5.391 6.806 -6.056 289 1HB ALA 38 1HB ALA 38 2.700 7.945 -6.880 290 2HB ALA 38 2HB ALA 38 4.315 8.408 -7.484 291 3HB ALA 38 3HB ALA 38 3.680 6.776 -7.805 292 H LEU 39 H LEU 39 6.438 8.440 -5.302 293 HA LEU 39 HA LEU 39 5.716 9.409 -2.709 294 1HB LEU 39 2HB LEU 39 7.918 10.345 -2.615 295 2HB LEU 39 3HB LEU 39 7.960 8.744 -3.341 296 HG LEU 39 HG LEU 39 7.857 10.167 -5.636 297 1HD1 LEU 39 1HD1 LEU 39 7.795 12.410 -4.493 298 2HD1 LEU 39 2HD1 LEU 39 9.317 12.010 -3.680 299 3HD1 LEU 39 3HD1 LEU 39 9.266 12.185 -5.443 300 1HD2 LEU 39 1HD2 LEU 39 10.323 9.998 -5.697 301 2HD2 LEU 39 2HD2 LEU 39 10.346 9.712 -3.943 302 3HD2 LEU 39 3HD2 LEU 39 9.582 8.534 -5.032 303 H ALA 40 H ALA 40 5.421 10.869 -5.878 304 HA ALA 40 HA ALA 40 5.471 13.586 -5.267 305 1HB ALA 40 1HB ALA 40 3.615 12.140 -7.211 306 2HB ALA 40 2HB ALA 40 3.991 13.877 -7.222 307 3HB ALA 40 3HB ALA 40 5.271 12.693 -7.551 308 H THR 41 H THR 41 2.781 11.306 -4.915 309 HA THR 41 HA THR 41 1.220 13.284 -3.292 310 HB THR 41 HB THR 41 -0.148 12.646 -4.999 311 HG1 THR 41 1HG THR 41 -0.970 12.225 -2.840 312 1HG2 THR 41 1HG2 THR 41 1.097 10.872 -6.099 313 2HG2 THR 41 2HG2 THR 41 0.781 9.761 -4.747 314 3HG2 THR 41 3HG2 THR 41 -0.544 10.339 -5.780 315 H ASN 42 H ASN 42 2.885 10.166 -3.272 316 HA ASN 42 HA ASN 42 3.611 8.833 -1.640 317 1HB ASN 42 2HB ASN 42 2.279 10.491 0.526 318 2HB ASN 42 3HB ASN 42 3.499 9.238 0.689 319 1HD2 ASN 42 1HD2 ASN 42 2.890 12.534 -0.384 320 2HD2 ASN 42 2HD2 ASN 42 4.588 13.028 -0.443 321 H LYS 43 H LYS 43 1.233 8.560 -3.187 322 HA LYS 43 HA LYS 43 -0.774 7.230 -1.477 323 1HB LYS 43 2HB LYS 43 -0.435 7.604 -4.475 324 2HB LYS 43 3HB LYS 43 -1.634 6.532 -3.768 325 1HG LYS 43 2HG LYS 43 -1.801 9.173 -2.503 326 2HG LYS 43 3HG LYS 43 -1.883 9.298 -4.267 327 1HD LYS 43 2HD LYS 43 -3.617 7.548 -4.342 328 2HD LYS 43 3HD LYS 43 -3.613 7.487 -2.561 329 1HE LYS 43 2HE LYS 43 -4.387 9.827 -2.430 330 2HE LYS 43 3HE LYS 43 -4.104 10.040 -4.153 331 1HZ LYS 43 1HZ LYS 43 -5.878 8.447 -4.616 332 2HZ LYS 43 2HZ LYS 43 -6.329 8.371 -3.073 333 3HZ LYS 43 3HZ LYS 43 -6.416 9.787 -3.871 334 H ALA 44 H ALA 44 -0.821 5.048 -1.291 335 HA ALA 44 HA ALA 44 0.785 3.355 -3.157 336 1HB ALA 44 1HB ALA 44 -0.350 2.552 -0.463 337 2HB ALA 44 2HB ALA 44 0.461 1.525 -1.669 338 3HB ALA 44 3HB ALA 44 1.374 2.792 -0.822 339 H HIS 45 H HIS 45 -0.563 3.051 -4.875 340 HA HIS 45 HA HIS 45 -3.408 2.635 -4.520 341 1HB HIS 45 2HB HIS 45 -2.247 3.869 -6.460 342 2HB HIS 45 3HB HIS 45 -1.641 2.298 -6.993 343 HD1 HIS 45 1HD HIS 45 -4.414 4.560 -7.429 344 HD2 HIS 45 2HD HIS 45 -4.178 0.504 -6.480 345 HE1 HIS 45 1HE HIS 45 -6.683 3.638 -7.731 346 H ILE 46 H ILE 46 -3.511 0.831 -3.263 347 HA ILE 46 HA ILE 46 -1.983 -1.620 -4.001 348 HB ILE 46 HB ILE 46 -3.389 -0.580 -1.570 349 1HG1 ILE 46 2HG1 ILE 46 -0.789 -2.132 -1.992 350 2HG1 ILE 46 3HG1 ILE 46 -0.904 -0.381 -2.186 351 1HG2 ILE 46 1HG2 ILE 46 -4.502 -2.683 -1.728 352 2HG2 ILE 46 2HG2 ILE 46 -3.012 -3.513 -2.206 353 3HG2 ILE 46 3HG2 ILE 46 -3.209 -2.889 -0.553 354 1HD1 ILE 46 1HD1 ILE 46 -0.021 -0.860 -0.018 355 2HD1 ILE 46 2HD1 ILE 46 -1.628 -0.143 0.153 356 3HD1 ILE 46 3HD1 ILE 46 -1.401 -1.894 0.385 357 H LYS 47 H LYS 47 -2.846 -2.891 -5.436 358 HA LYS 47 HA LYS 47 -5.796 -3.043 -5.767 359 1HB LYS 47 2HB LYS 47 -3.529 -3.534 -7.754 360 2HB LYS 47 3HB LYS 47 -5.226 -3.965 -7.983 361 1HG LYS 47 2HG LYS 47 -5.492 -1.334 -7.243 362 2HG LYS 47 3HG LYS 47 -3.913 -1.249 -8.027 363 1HD LYS 47 2HD LYS 47 -4.884 -2.214 -10.103 364 2HD LYS 47 3HD LYS 47 -6.377 -2.618 -9.242 365 1HE LYS 47 2HE LYS 47 -6.698 -0.117 -8.823 366 2HE LYS 47 3HE LYS 47 -5.462 0.159 -10.054 367 1HZ LYS 47 1HZ LYS 47 -6.901 -1.058 -11.591 368 2HZ LYS 47 2HZ LYS 47 -7.949 -1.427 -10.402 369 3HZ LYS 47 3HZ LYS 47 -7.785 0.140 -10.870 370 H TYR 48 H TYR 48 -6.654 -4.995 -5.215 371 HA TYR 48 HA TYR 48 -4.976 -7.360 -4.821 372 1HB TYR 48 2HB TYR 48 -5.258 -7.374 -2.402 373 2HB TYR 48 3HB TYR 48 -4.569 -5.816 -2.827 374 HD1 TYR 48 HD1 TYR 48 -6.213 -3.799 -3.082 375 HD2 TYR 48 HD2 TYR 48 -7.300 -7.522 -1.205 376 HE1 TYR 48 HE1 TYR 48 -8.212 -2.749 -2.141 377 HE2 TYR 48 HE2 TYR 48 -9.129 -6.394 -0.018 378 HH TYR 48 HH TYR 48 -10.003 -2.975 -0.697 379 H ASP 49 H ASP 49 -6.347 -9.068 -3.684 380 HA ASP 49 HA ASP 49 -9.023 -9.069 -5.003 381 1HB ASP 49 2HB ASP 49 -7.202 -11.228 -3.986 382 2HB ASP 49 3HB ASP 49 -8.945 -11.521 -4.102 383 HA PRO 50 HA PRO 50 -10.437 -7.992 -0.838 384 1HB PRO 50 2HB PRO 50 -12.926 -7.080 -1.390 385 2HB PRO 50 3HB PRO 50 -11.478 -6.234 -1.987 386 1HG PRO 50 2HG PRO 50 -13.126 -8.294 -3.496 387 2HG PRO 50 3HG PRO 50 -12.719 -6.633 -4.033 388 1HD PRO 50 2HD PRO 50 -11.230 -8.771 -4.784 389 2HD PRO 50 3HD PRO 50 -10.443 -7.228 -4.372 390 H GLU 51 H GLU 51 -10.221 -10.697 -1.303 391 HA GLU 51 HA GLU 51 -12.462 -11.745 0.287 392 1HB GLU 51 2HB GLU 51 -12.837 -13.599 -1.332 393 2HB GLU 51 3HB GLU 51 -13.283 -12.016 -1.963 394 1HG GLU 51 2HG GLU 51 -10.544 -12.406 -2.720 395 2HG GLU 51 3HG GLU 51 -11.359 -13.930 -3.009 396 H ILE 52 H ILE 52 -9.608 -11.129 0.641 397 HA ILE 52 HA ILE 52 -8.742 -13.626 1.868 398 HB ILE 52 HB ILE 52 -7.970 -14.043 -0.285 399 1HG1 ILE 52 2HG1 ILE 52 -6.471 -14.616 1.568 400 2HG1 ILE 52 3HG1 ILE 52 -5.744 -14.508 -0.042 401 1HG2 ILE 52 1HG2 ILE 52 -6.382 -12.704 -1.584 402 2HG2 ILE 52 2HG2 ILE 52 -8.002 -12.036 -1.467 403 3HG2 ILE 52 3HG2 ILE 52 -6.682 -11.330 -0.509 404 1HD1 ILE 52 1HD1 ILE 52 -4.176 -13.598 1.476 405 2HD1 ILE 52 2HD1 ILE 52 -4.848 -12.235 0.571 406 3HD1 ILE 52 3HD1 ILE 52 -5.368 -12.556 2.242 407 H ILE 53 H ILE 53 -7.814 -10.311 0.912 408 HA ILE 53 HA ILE 53 -6.814 -9.856 3.681 409 HB ILE 53 HB ILE 53 -5.071 -10.317 1.886 410 1HG1 ILE 53 2HG1 ILE 53 -4.931 -7.571 3.113 411 2HG1 ILE 53 3HG1 ILE 53 -4.733 -9.112 3.998 412 1HG2 ILE 53 1HG2 ILE 53 -5.812 -7.573 0.803 413 2HG2 ILE 53 2HG2 ILE 53 -4.543 -8.661 0.212 414 3HG2 ILE 53 3HG2 ILE 53 -6.233 -9.109 0.011 415 1HD1 ILE 53 1HD1 ILE 53 -2.560 -8.264 3.457 416 2HD1 ILE 53 2HD1 ILE 53 -2.871 -9.740 2.509 417 3HD1 ILE 53 3HD1 ILE 53 -2.957 -8.137 1.730 418 H GLY 54 H GLY 54 -7.097 -7.620 4.468 419 1HA GLY 54 2HA GLY 54 -8.986 -5.982 2.828 420 2HA GLY 54 1HA GLY 54 -9.236 -6.415 4.533 421 HA PRO 55 HA PRO 55 -6.903 -2.376 3.924 422 1HB PRO 55 2HB PRO 55 -8.506 -0.839 5.616 423 2HB PRO 55 3HB PRO 55 -8.715 -1.014 3.853 424 1HG PRO 55 2HG PRO 55 -10.150 -2.511 6.045 425 2HG PRO 55 3HG PRO 55 -10.839 -1.796 4.561 426 1HD PRO 55 2HD PRO 55 -10.307 -4.438 4.725 427 2HD PRO 55 3HD PRO 55 -9.963 -3.554 3.212 428 H ARG 56 H ARG 56 -8.234 -3.844 6.938 429 HA ARG 56 HA ARG 56 -6.418 -2.573 8.731 430 1HB ARG 56 2HB ARG 56 -7.885 -5.241 8.915 431 2HB ARG 56 3HB ARG 56 -6.773 -4.656 10.144 432 1HG ARG 56 2HG ARG 56 -8.790 -3.990 10.994 433 2HG ARG 56 3HG ARG 56 -8.104 -2.519 10.323 434 1HD ARG 56 2HD ARG 56 -10.497 -2.633 9.777 435 2HD ARG 56 3HD ARG 56 -9.539 -2.729 8.322 436 HE ARG 56 HE ARG 56 -10.300 -4.874 7.923 437 1HH1 ARG 56 2HH2 ARG 56 -10.982 -4.053 11.275 438 2HH1 ARG 56 1HH2 ARG 56 -11.937 -5.465 11.608 439 1HH2 ARG 56 2HH1 ARG 56 -11.505 -6.801 8.328 440 2HH2 ARG 56 1HH1 ARG 56 -12.236 -7.065 9.875 441 H ASP 57 H ASP 57 -6.126 -5.697 6.913 442 HA ASP 57 HA ASP 57 -3.742 -6.553 8.127 443 1HB ASP 57 2HB ASP 57 -4.471 -7.010 5.219 444 2HB ASP 57 3HB ASP 57 -3.609 -8.101 6.308 445 H ILE 58 H ILE 58 -4.327 -4.798 5.105 446 HA ILE 58 HA ILE 58 -1.676 -4.211 4.308 447 HB ILE 58 HB ILE 58 -4.313 -2.728 3.984 448 1HG1 ILE 58 2HG1 ILE 58 -4.317 -4.913 2.907 449 2HG1 ILE 58 3HG1 ILE 58 -4.352 -3.605 1.729 450 1HG2 ILE 58 1HG2 ILE 58 -2.715 -1.015 3.668 451 2HG2 ILE 58 2HG2 ILE 58 -1.640 -2.069 2.735 452 3HG2 ILE 58 3HG2 ILE 58 -3.199 -1.537 2.055 453 1HD1 ILE 58 1HD1 ILE 58 -1.983 -5.364 2.468 454 2HD1 ILE 58 2HD1 ILE 58 -2.861 -5.303 0.925 455 3HD1 ILE 58 3HD1 ILE 58 -1.853 -3.922 1.446 456 H ILE 59 H ILE 59 -3.897 -2.269 6.361 457 HA ILE 59 HA ILE 59 -2.117 -0.199 6.796 458 HB ILE 59 HB ILE 59 -4.531 -1.205 8.201 459 1HG1 ILE 59 2HG1 ILE 59 -3.998 1.687 7.459 460 2HG1 ILE 59 3HG1 ILE 59 -4.285 0.494 6.178 461 1HG2 ILE 59 1HG2 ILE 59 -2.711 0.859 9.497 462 2HG2 ILE 59 2HG2 ILE 59 -4.424 0.653 9.896 463 3HG2 ILE 59 3HG2 ILE 59 -3.303 -0.665 10.174 464 1HD1 ILE 59 1HD1 ILE 59 -6.148 1.101 8.513 465 2HD1 ILE 59 2HD1 ILE 59 -6.370 1.570 6.816 466 3HD1 ILE 59 3HD1 ILE 59 -6.424 -0.142 7.280 467 H HIS 60 H HIS 60 -2.622 -3.113 8.858 468 HA HIS 60 HA HIS 60 -0.702 -2.247 10.821 469 1HB HIS 60 2HB HIS 60 -1.836 -5.008 10.268 470 2HB HIS 60 3HB HIS 60 -0.940 -4.527 11.719 471 HD1 HIS 60 1HD HIS 60 -2.438 -1.659 12.139 472 HD2 HIS 60 2HD HIS 60 -4.238 -5.380 11.291 473 HE1 HIS 60 1HE HIS 60 -4.859 -1.502 12.916 474 H THR 61 H THR 61 -0.506 -4.179 7.897 475 HA THR 61 HA THR 61 2.217 -5.043 8.250 476 HB THR 61 HB THR 61 0.608 -4.455 5.742 477 HG1 THR 61 1HG THR 61 -0.272 -6.067 6.935 478 1HG2 THR 61 1HG2 THR 61 3.034 -4.473 5.198 479 2HG2 THR 61 2HG2 THR 61 3.269 -5.926 6.199 480 3HG2 THR 61 3HG2 THR 61 2.344 -6.017 4.696 481 H ILE 62 H ILE 62 0.849 -2.115 6.565 482 HA ILE 62 HA ILE 62 3.464 -1.116 5.954 483 HB ILE 62 HB ILE 62 0.727 0.113 5.930 484 1HG1 ILE 62 2HG1 ILE 62 2.592 -0.529 3.642 485 2HG1 ILE 62 3HG1 ILE 62 1.423 -1.704 4.270 486 1HG2 ILE 62 1HG2 ILE 62 2.355 1.949 6.328 487 2HG2 ILE 62 2HG2 ILE 62 3.366 1.318 5.008 488 3HG2 ILE 62 3HG2 ILE 62 1.789 2.029 4.673 489 1HD1 ILE 62 1HD1 ILE 62 0.733 1.001 3.056 490 2HD1 ILE 62 2HD1 ILE 62 0.441 -0.588 2.366 491 3HD1 ILE 62 3HD1 ILE 62 -0.423 -0.101 3.834 492 H GLU 63 H GLU 63 1.305 -0.541 8.759 493 HA GLU 63 HA GLU 63 2.872 1.344 10.170 494 1HB GLU 63 2HB GLU 63 1.259 -1.040 11.182 495 2HB GLU 63 3HB GLU 63 2.021 0.162 12.219 496 1HG GLU 63 2HG GLU 63 0.683 1.954 11.201 497 2HG GLU 63 3HG GLU 63 -0.127 0.785 10.154 498 H SER 64 H SER 64 3.101 -2.261 10.198 499 HA SER 64 HA SER 64 5.448 -2.415 11.741 500 1HB SER 64 2HB SER 64 3.904 -4.309 11.092 501 2HB SER 64 3HB SER 64 4.696 -4.346 9.509 502 HG SER 64 HG SER 64 5.997 -4.663 12.014 503 H LEU 65 H LEU 65 5.131 -2.013 8.184 504 HA LEU 65 HA LEU 65 7.992 -2.019 7.714 505 1HB LEU 65 2HB LEU 65 5.803 -0.776 6.019 506 2HB LEU 65 3HB LEU 65 7.456 -1.118 5.507 507 HG LEU 65 HG LEU 65 5.366 -3.201 6.253 508 1HD1 LEU 65 1HD1 LEU 65 6.610 -2.449 3.587 509 2HD1 LEU 65 2HD1 LEU 65 5.436 -3.758 3.873 510 3HD1 LEU 65 3HD1 LEU 65 4.957 -2.070 4.110 511 1HD2 LEU 65 1HD2 LEU 65 7.613 -4.008 6.878 512 2HD2 LEU 65 2HD2 LEU 65 6.959 -4.872 5.502 513 3HD2 LEU 65 3HD2 LEU 65 8.203 -3.616 5.245 514 H GLY 66 H GLY 66 6.056 0.351 9.245 515 1HA GLY 66 2HA GLY 66 6.903 2.162 10.344 516 2HA GLY 66 1HA GLY 66 8.411 2.071 9.428 517 H PHE 67 H PHE 67 4.985 2.334 8.266 518 HA PHE 67 HA PHE 67 5.357 5.203 7.733 519 1HB PHE 67 2HB PHE 67 4.084 3.452 5.628 520 2HB PHE 67 3HB PHE 67 4.623 5.107 5.500 521 HD1 PHE 67 1HD PHE 67 5.557 1.577 5.182 522 HD2 PHE 67 2HD PHE 67 7.170 5.554 5.427 523 HE1 PHE 67 1HE PHE 67 7.433 0.893 3.732 524 HE2 PHE 67 2HE PHE 67 9.134 4.843 4.109 525 HZ PHE 67 HZ PHE 67 9.168 2.559 3.082 526 H GLU 68 H GLU 68 3.113 6.224 7.532 527 HA GLU 68 HA GLU 68 1.131 4.767 9.074 528 1HB GLU 68 2HB GLU 68 2.166 6.982 9.576 529 2HB GLU 68 3HB GLU 68 1.253 7.630 8.192 530 1HG GLU 68 2HG GLU 68 -0.278 6.080 10.199 531 2HG GLU 68 3HG GLU 68 0.447 7.598 10.757 532 HA PRO 69 HA PRO 69 -0.765 4.394 4.880 533 1HB PRO 69 2HB PRO 69 -2.226 2.123 5.355 534 2HB PRO 69 3HB PRO 69 -0.459 2.125 5.114 535 1HG PRO 69 2HG PRO 69 -1.991 1.988 7.695 536 2HG PRO 69 3HG PRO 69 -0.531 1.103 7.224 537 1HD PRO 69 2HD PRO 69 -0.615 3.350 8.820 538 2HD PRO 69 3HD PRO 69 0.791 2.796 7.868 539 H SER 70 H SER 70 -1.923 6.401 5.181 540 HA SER 70 HA SER 70 -4.444 6.304 6.719 541 1HB SER 70 2HB SER 70 -2.757 8.028 6.950 542 2HB SER 70 3HB SER 70 -3.019 8.535 5.288 543 HG SER 70 HG SER 70 -5.070 8.476 7.274 544 H LEU 71 H LEU 71 -6.159 5.547 5.667 545 HA LEU 71 HA LEU 71 -6.605 5.483 2.828 546 1HB LEU 71 2HB LEU 71 -8.467 5.317 5.222 547 2HB LEU 71 3HB LEU 71 -9.007 5.060 3.562 548 HG LEU 71 HG LEU 71 -6.750 3.411 4.789 549 1HD1 LEU 71 1HD1 LEU 71 -8.459 1.680 5.237 550 2HD1 LEU 71 2HD1 LEU 71 -8.750 3.141 6.197 551 3HD1 LEU 71 3HD1 LEU 71 -9.740 2.813 4.758 552 1HD2 LEU 71 1HD2 LEU 71 -7.423 1.805 3.019 553 2HD2 LEU 71 2HD2 LEU 71 -8.672 2.945 2.465 554 3HD2 LEU 71 3HD2 LEU 71 -6.957 3.347 2.292 555 H VAL 72 H VAL 72 -6.582 7.393 1.678 556 HA VAL 72 HA VAL 72 -7.999 9.759 2.790 557 HB VAL 72 HB VAL 72 -6.444 9.603 0.179 558 1HG1 VAL 72 1HG1 VAL 72 -8.036 11.529 0.457 559 2HG1 VAL 72 2HG1 VAL 72 -7.232 11.937 1.983 560 3HG1 VAL 72 3HG1 VAL 72 -6.344 12.039 0.449 561 1HG2 VAL 72 1HG2 VAL 72 -4.639 10.744 1.489 562 2HG2 VAL 72 2HG2 VAL 72 -5.488 10.273 2.981 563 3HG2 VAL 72 3HG2 VAL 72 -4.873 9.031 1.859 564 H LYS 73 H LYS 73 -7.869 8.090 -0.402 565 HA LYS 73 HA LYS 73 -10.688 8.017 -0.846 566 1HB LYS 73 2HB LYS 73 -9.331 10.595 -1.223 567 2HB LYS 73 3HB LYS 73 -9.849 9.992 -2.774 568 1HG LYS 73 2HG LYS 73 -11.707 10.151 -0.364 569 2HG LYS 73 3HG LYS 73 -11.470 11.509 -1.461 570 1HD LYS 73 2HD LYS 73 -12.344 8.773 -2.449 571 2HD LYS 73 3HD LYS 73 -13.500 9.992 -1.898 572 1HE LYS 73 2HE LYS 73 -12.872 11.551 -3.647 573 2HE LYS 73 3HE LYS 73 -11.465 10.582 -4.099 574 1HZ LYS 73 1HZ LYS 73 -12.898 8.834 -4.778 575 2HZ LYS 73 2HZ LYS 73 -14.255 9.761 -4.560 576 3HZ LYS 73 3HZ LYS 73 -13.082 10.107 -5.681 577 H ILE 74 H ILE 74 -10.966 6.651 -2.493 578 HA ILE 74 HA ILE 74 -8.907 6.202 -4.594 579 HB ILE 74 HB ILE 74 -10.386 4.320 -5.266 580 1HG1 ILE 74 2HG1 ILE 74 -11.842 4.707 -2.606 581 2HG1 ILE 74 3HG1 ILE 74 -12.510 5.151 -4.184 582 1HG2 ILE 74 1HG2 ILE 74 -9.664 2.767 -3.503 583 2HG2 ILE 74 2HG2 ILE 74 -8.414 3.927 -3.915 584 3HG2 ILE 74 3HG2 ILE 74 -9.352 4.135 -2.412 585 1HD1 ILE 74 1HD1 ILE 74 -13.412 3.034 -3.589 586 2HD1 ILE 74 2HD1 ILE 74 -12.285 2.788 -4.936 587 3HD1 ILE 74 3HD1 ILE 74 -11.817 2.340 -3.276 588 H GLU 75 H GLU 75 -9.766 6.360 -6.780 589 HA GLU 75 HA GLU 75 -10.464 7.879 -8.312 590 1HB GLU 75 2HB GLU 75 -13.174 6.822 -7.493 591 2HB GLU 75 3HB GLU 75 -12.505 7.082 -9.108 592 1HG GLU 75 2HG GLU 75 -11.885 4.849 -7.128 593 2HG GLU 75 3HG GLU 75 -12.581 4.712 -8.738 Start of MODEL 25 1 1H MET 1 H1 MET 1 -16.412 -9.129 -7.810 2 2H MET 1 H2 MET 1 -17.589 -9.803 -8.777 3 3H MET 1 H3 MET 1 -16.551 -10.765 -7.887 4 HA MET 1 HA MET 1 -16.032 -10.705 -10.237 5 1HB MET 1 2HB MET 1 -15.072 -7.919 -9.446 6 2HB MET 1 3HB MET 1 -14.629 -8.808 -10.926 7 1HG MET 1 2HG MET 1 -16.870 -8.812 -11.743 8 2HG MET 1 3HG MET 1 -17.498 -8.102 -10.250 9 1HE MET 1 1HE MET 1 -14.853 -5.698 -13.174 10 2HE MET 1 2HE MET 1 -14.143 -6.806 -11.987 11 3HE MET 1 3HE MET 1 -15.129 -7.449 -13.328 12 H GLY 2 H GLY 2 -13.031 -9.410 -9.687 13 1HA GLY 2 2HA GLY 2 -12.141 -11.191 -7.570 14 2HA GLY 2 1HA GLY 2 -11.877 -11.882 -9.185 15 H ASP 3 H ASP 3 -11.630 -8.748 -7.497 16 HA ASP 3 HA ASP 3 -8.964 -8.010 -8.190 17 1HB ASP 3 2HB ASP 3 -9.649 -6.310 -9.895 18 2HB ASP 3 3HB ASP 3 -9.921 -7.947 -10.493 19 H GLY 4 H GLY 4 -8.782 -5.595 -7.616 20 1HA GLY 4 2HA GLY 4 -10.960 -4.312 -6.235 21 2HA GLY 4 1HA GLY 4 -9.760 -5.007 -5.118 22 H VAL 5 H VAL 5 -10.245 -2.209 -5.380 23 HA VAL 5 HA VAL 5 -7.593 -1.225 -6.168 24 HB VAL 5 HB VAL 5 -10.164 0.150 -7.096 25 1HG1 VAL 5 1HG1 VAL 5 -8.614 1.486 -8.480 26 2HG1 VAL 5 2HG1 VAL 5 -8.194 1.617 -6.769 27 3HG1 VAL 5 3HG1 VAL 5 -7.238 0.568 -7.836 28 1HG2 VAL 5 1HG2 VAL 5 -10.090 -1.858 -8.440 29 2HG2 VAL 5 2HG2 VAL 5 -9.554 -0.496 -9.424 30 3HG2 VAL 5 3HG2 VAL 5 -8.359 -1.629 -8.765 31 H LEU 6 H LEU 6 -6.963 0.323 -4.612 32 HA LEU 6 HA LEU 6 -8.899 2.130 -3.614 33 1HB LEU 6 2HB LEU 6 -8.844 1.813 -1.318 34 2HB LEU 6 3HB LEU 6 -9.122 0.190 -1.944 35 HG LEU 6 HG LEU 6 -6.510 1.329 -0.856 36 1HD1 LEU 6 1HD1 LEU 6 -8.426 -0.778 0.206 37 2HD1 LEU 6 2HD1 LEU 6 -6.870 -0.326 0.939 38 3HD1 LEU 6 3HD1 LEU 6 -8.184 0.858 0.850 39 1HD2 LEU 6 1HD2 LEU 6 -5.844 -0.213 -2.554 40 2HD2 LEU 6 2HD2 LEU 6 -5.712 -1.073 -1.022 41 3HD2 LEU 6 3HD2 LEU 6 -7.098 -1.384 -2.098 42 H GLU 7 H GLU 7 -7.569 3.711 -1.992 43 HA GLU 7 HA GLU 7 -4.702 3.656 -2.628 44 1HB GLU 7 2HB GLU 7 -6.333 6.232 -2.753 45 2HB GLU 7 3HB GLU 7 -4.592 6.026 -2.942 46 1HG GLU 7 2HG GLU 7 -5.157 4.489 -4.953 47 2HG GLU 7 3HG GLU 7 -6.780 5.199 -4.878 48 H LEU 8 H LEU 8 -3.464 4.325 -0.931 49 HA LEU 8 HA LEU 8 -4.775 5.611 1.398 50 1HB LEU 8 2HB LEU 8 -2.875 4.261 2.701 51 2HB LEU 8 3HB LEU 8 -4.508 3.648 2.556 52 HG LEU 8 HG LEU 8 -2.400 2.970 0.515 53 1HD1 LEU 8 1HD1 LEU 8 -1.926 0.884 1.769 54 2HD1 LEU 8 2HD1 LEU 8 -1.428 2.345 2.611 55 3HD1 LEU 8 3HD1 LEU 8 -2.916 1.487 3.110 56 1HD2 LEU 8 1HD2 LEU 8 -5.194 2.263 0.885 57 2HD2 LEU 8 2HD2 LEU 8 -4.088 1.727 -0.394 58 3HD2 LEU 8 3HD2 LEU 8 -4.240 0.799 1.109 59 H VAL 9 H VAL 9 -3.680 7.295 2.051 60 HA VAL 9 HA VAL 9 -1.319 8.210 0.592 61 HB VAL 9 HB VAL 9 -3.117 9.558 2.615 62 1HG1 VAL 9 1HG1 VAL 9 -1.847 11.618 2.145 63 2HG1 VAL 9 2HG1 VAL 9 -0.785 10.420 2.895 64 3HG1 VAL 9 3HG1 VAL 9 -0.699 10.712 1.145 65 1HG2 VAL 9 1HG2 VAL 9 -2.577 10.017 -0.357 66 2HG2 VAL 9 2HG2 VAL 9 -4.031 9.254 0.312 67 3HG2 VAL 9 3HG2 VAL 9 -3.688 10.960 0.654 68 H VAL 10 H VAL 10 0.483 7.283 1.273 69 HA VAL 10 HA VAL 10 0.952 6.431 4.080 70 HB VAL 10 HB VAL 10 3.068 5.469 2.844 71 1HG1 VAL 10 1HG1 VAL 10 1.384 4.145 4.004 72 2HG1 VAL 10 2HG1 VAL 10 0.296 4.242 2.596 73 3HG1 VAL 10 3HG1 VAL 10 1.838 3.368 2.471 74 1HG2 VAL 10 1HG2 VAL 10 2.445 6.484 0.587 75 2HG2 VAL 10 2HG2 VAL 10 2.675 4.724 0.576 76 3HG2 VAL 10 3HG2 VAL 10 1.045 5.386 0.576 77 H ARG 11 H ARG 11 1.162 8.485 4.932 78 HA ARG 11 HA ARG 11 3.382 10.152 3.911 79 1HB ARG 11 2HB ARG 11 2.972 11.732 5.464 80 2HB ARG 11 3HB ARG 11 1.375 11.251 4.916 81 1HG ARG 11 2HG ARG 11 2.540 10.099 7.487 82 2HG ARG 11 3HG ARG 11 1.969 11.753 7.443 83 1HD ARG 11 2HD ARG 11 -0.273 11.109 6.821 84 2HD ARG 11 3HD ARG 11 0.204 9.402 6.711 85 HE ARG 11 HE ARG 11 1.012 10.019 9.241 86 1HH1 ARG 11 2HH2 ARG 11 -2.192 10.004 7.773 87 2HH1 ARG 11 1HH2 ARG 11 -3.003 10.349 9.273 88 1HH2 ARG 11 2HH1 ARG 11 0.053 9.891 11.056 89 2HH2 ARG 11 1HH1 ARG 11 -1.681 10.106 11.308 90 H GLY 12 H GLY 12 5.300 10.525 5.175 91 1HA GLY 12 2HA GLY 12 6.806 9.762 6.950 92 2HA GLY 12 1HA GLY 12 6.174 8.124 6.759 93 H MET 13 H MET 13 6.036 8.197 3.762 94 HA MET 13 HA MET 13 8.693 7.353 3.229 95 1HB MET 13 2HB MET 13 6.655 8.305 1.192 96 2HB MET 13 3HB MET 13 8.012 7.205 0.980 97 1HG MET 13 2HG MET 13 6.835 5.436 2.133 98 2HG MET 13 3HG MET 13 5.582 6.533 2.714 99 1HE MET 13 1HE MET 13 6.122 5.746 -1.786 100 2HE MET 13 2HE MET 13 6.987 6.973 -0.869 101 3HE MET 13 3HE MET 13 7.290 5.248 -0.532 102 H THR 14 H THR 14 10.427 8.505 2.379 103 HA THR 14 HA THR 14 9.997 11.300 1.444 104 HB THR 14 HB THR 14 10.490 11.340 3.851 105 HG1 THR 14 1HG THR 14 12.379 12.324 2.012 106 1HG2 THR 14 1HG2 THR 14 13.153 10.038 3.109 107 2HG2 THR 14 2HG2 THR 14 12.708 10.708 4.687 108 3HG2 THR 14 3HG2 THR 14 11.858 9.286 4.066 109 H CYS 15 H CYS 15 11.406 8.303 0.564 110 HA CYS 15 HA CYS 15 12.870 9.631 -1.533 111 1HB CYS 15 2HB CYS 15 15.063 8.523 -0.928 112 2HB CYS 15 3HB CYS 15 14.610 9.898 0.065 113 H ALA 16 H ALA 16 13.926 8.009 -2.931 114 HA ALA 16 HA ALA 16 12.166 6.207 -3.989 115 1HB ALA 16 1HB ALA 16 15.205 6.034 -4.051 116 2HB ALA 16 2HB ALA 16 14.090 5.238 -5.181 117 3HB ALA 16 3HB ALA 16 14.182 7.009 -5.132 118 H SER 17 H SER 17 14.644 5.508 -1.491 119 HA SER 17 HA SER 17 14.550 2.806 -1.250 120 1HB SER 17 2HB SER 17 14.481 4.815 1.032 121 2HB SER 17 3HB SER 17 15.180 3.181 1.063 122 HG SER 17 HG SER 17 16.631 3.883 -0.588 123 H CYS 18 H CYS 18 12.067 5.119 -0.067 124 HA CYS 18 HA CYS 18 10.663 3.162 1.530 125 1HB CYS 18 2HB CYS 18 9.817 5.864 0.434 126 2HB CYS 18 3HB CYS 18 9.005 4.950 1.709 127 H VAL 19 H VAL 19 10.561 4.232 -1.811 128 HA VAL 19 HA VAL 19 7.879 3.450 -2.456 129 HB VAL 19 HB VAL 19 10.355 3.630 -4.236 130 1HG1 VAL 19 1HG1 VAL 19 7.472 4.049 -5.069 131 2HG1 VAL 19 2HG1 VAL 19 8.906 3.946 -6.092 132 3HG1 VAL 19 3HG1 VAL 19 8.321 2.495 -5.265 133 1HG2 VAL 19 1HG2 VAL 19 10.065 5.735 -3.043 134 2HG2 VAL 19 2HG2 VAL 19 9.594 5.919 -4.739 135 3HG2 VAL 19 3HG2 VAL 19 8.342 5.772 -3.479 136 H HIS 20 H HIS 20 11.110 1.905 -3.079 137 HA HIS 20 HA HIS 20 9.856 -0.533 -3.804 138 1HB HIS 20 2HB HIS 20 12.078 -1.448 -3.921 139 2HB HIS 20 3HB HIS 20 11.808 0.001 -4.876 140 HD1 HIS 20 1HD HIS 20 14.146 1.001 -5.050 141 HD2 HIS 20 2HD HIS 20 13.174 -0.402 -1.218 142 HE1 HIS 20 1HE HIS 20 16.218 1.349 -3.600 143 H LYS 21 H LYS 21 11.050 0.661 -0.633 144 HA LYS 21 HA LYS 21 10.826 -1.711 0.758 145 1HB LYS 21 2HB LYS 21 11.333 0.821 1.499 146 2HB LYS 21 3HB LYS 21 9.610 0.818 1.898 147 1HG LYS 21 2HG LYS 21 10.131 -1.330 3.205 148 2HG LYS 21 3HG LYS 21 11.842 -0.984 2.840 149 1HD LYS 21 2HD LYS 21 11.515 1.304 3.916 150 2HD LYS 21 3HD LYS 21 9.893 0.774 4.415 151 1HE LYS 21 2HE LYS 21 10.957 -1.131 5.682 152 2HE LYS 21 3HE LYS 21 12.551 -0.475 5.259 153 1HZ LYS 21 1HZ LYS 21 11.870 1.571 6.441 154 2HZ LYS 21 2HZ LYS 21 10.463 0.829 6.882 155 3HZ LYS 21 3HZ LYS 21 11.887 0.248 7.424 156 H ILE 22 H ILE 22 8.182 0.500 -0.368 157 HA ILE 22 HA ILE 22 6.130 -1.207 0.825 158 HB ILE 22 HB ILE 22 6.089 1.225 -0.937 159 1HG1 ILE 22 2HG1 ILE 22 4.594 0.581 1.603 160 2HG1 ILE 22 3HG1 ILE 22 6.302 1.084 1.645 161 1HG2 ILE 22 1HG2 ILE 22 4.280 -0.179 -1.896 162 2HG2 ILE 22 2HG2 ILE 22 3.728 -0.617 -0.271 163 3HG2 ILE 22 3HG2 ILE 22 3.548 1.038 -0.855 164 1HD1 ILE 22 1HD1 ILE 22 5.744 3.186 0.560 165 2HD1 ILE 22 2HD1 ILE 22 4.007 2.744 0.565 166 3HD1 ILE 22 3HD1 ILE 22 4.865 2.990 2.085 167 H GLU 23 H GLU 23 6.922 -0.538 -2.680 168 HA GLU 23 HA GLU 23 4.916 -2.397 -3.289 169 1HB GLU 23 2HB GLU 23 5.564 -2.248 -5.621 170 2HB GLU 23 3HB GLU 23 5.368 -0.708 -4.765 171 1HG GLU 23 2HG GLU 23 7.167 -0.467 -6.282 172 2HG GLU 23 3HG GLU 23 7.835 -0.457 -4.657 173 H SER 24 H SER 24 8.453 -3.074 -3.574 174 HA SER 24 HA SER 24 8.277 -5.750 -4.141 175 1HB SER 24 2HB SER 24 10.359 -4.390 -4.016 176 2HB SER 24 3HB SER 24 10.289 -4.475 -2.247 177 HG SER 24 HG SER 24 10.452 -6.687 -4.023 178 H SER 25 H SER 25 8.001 -4.243 -0.857 179 HA SER 25 HA SER 25 7.989 -6.875 0.327 180 1HB SER 25 2HB SER 25 8.816 -4.785 1.488 181 2HB SER 25 3HB SER 25 7.111 -4.435 1.841 182 HG SER 25 HG SER 25 8.183 -5.709 3.475 183 H LEU 26 H LEU 26 5.462 -4.623 -0.704 184 HA LEU 26 HA LEU 26 3.240 -6.085 0.405 185 1HB LEU 26 2HB LEU 26 3.636 -4.059 -1.786 186 2HB LEU 26 3HB LEU 26 2.162 -5.013 -1.813 187 HG LEU 26 HG LEU 26 1.999 -2.782 -0.685 188 1HD1 LEU 26 1HD1 LEU 26 0.335 -4.601 -0.362 189 2HD1 LEU 26 2HD1 LEU 26 1.238 -5.139 1.072 190 3HD1 LEU 26 3HD1 LEU 26 0.491 -3.537 1.043 191 1HD2 LEU 26 1HD2 LEU 26 2.674 -2.546 1.644 192 2HD2 LEU 26 2HD2 LEU 26 3.467 -4.127 1.632 193 3HD2 LEU 26 3HD2 LEU 26 4.101 -2.801 0.641 194 H THR 27 H THR 27 4.851 -6.228 -2.810 195 HA THR 27 HA THR 27 3.210 -8.334 -3.804 196 HB THR 27 HB THR 27 4.957 -8.490 -5.607 197 HG1 THR 27 1HG THR 27 6.032 -6.201 -4.321 198 1HG2 THR 27 1HG2 THR 27 2.984 -7.070 -5.861 199 2HG2 THR 27 2HG2 THR 27 3.777 -5.748 -4.971 200 3HG2 THR 27 3HG2 THR 27 4.409 -6.270 -6.544 201 H LYS 28 H LYS 28 3.306 -9.606 -1.934 202 HA LYS 28 HA LYS 28 4.427 -12.105 -2.538 203 1HB LYS 28 2HB LYS 28 5.718 -12.591 -0.506 204 2HB LYS 28 3HB LYS 28 6.523 -11.459 -1.588 205 1HG LYS 28 2HG LYS 28 6.057 -9.607 -0.199 206 2HG LYS 28 3HG LYS 28 4.934 -10.518 0.836 207 1HD LYS 28 2HD LYS 28 6.782 -12.040 1.532 208 2HD LYS 28 3HD LYS 28 7.926 -11.093 0.577 209 1HE LYS 28 2HE LYS 28 6.304 -10.114 2.991 210 2HE LYS 28 3HE LYS 28 8.030 -10.519 2.992 211 1HZ LYS 28 1HZ LYS 28 7.685 -8.086 2.733 212 2HZ LYS 28 2HZ LYS 28 8.352 -8.732 1.380 213 3HZ LYS 28 3HZ LYS 28 6.751 -8.380 1.449 214 H HIS 29 H HIS 29 2.563 -10.018 -0.212 215 HA HIS 29 HA HIS 29 1.611 -12.332 1.231 216 1HB HIS 29 2HB HIS 29 0.087 -10.923 2.284 217 2HB HIS 29 3HB HIS 29 1.623 -10.065 2.172 218 HD1 HIS 29 1HD HIS 29 -1.917 -10.033 0.639 219 HD2 HIS 29 2HD HIS 29 1.476 -7.635 1.326 220 HE1 HIS 29 1HE HIS 29 -2.647 -7.617 0.288 221 H ARG 30 H ARG 30 -0.483 -13.426 0.880 222 HA ARG 30 HA ARG 30 -1.269 -13.591 -1.889 223 1HB ARG 30 2HB ARG 30 -1.628 -15.456 -0.371 224 2HB ARG 30 3HB ARG 30 -2.776 -14.501 0.594 225 1HG ARG 30 2HG ARG 30 -4.300 -14.318 -1.340 226 2HG ARG 30 3HG ARG 30 -3.127 -15.124 -2.387 227 1HD ARG 30 2HD ARG 30 -4.579 -16.398 -0.013 228 2HD ARG 30 3HD ARG 30 -5.041 -16.509 -1.688 229 HE ARG 30 HE ARG 30 -3.286 -17.889 -2.231 230 1HH1 ARG 30 2HH2 ARG 30 -3.060 -16.970 1.161 231 2HH1 ARG 30 1HH2 ARG 30 -2.048 -18.299 1.636 232 1HH2 ARG 30 2HH1 ARG 30 -1.908 -19.647 -1.663 233 2HH2 ARG 30 1HH1 ARG 30 -1.346 -19.840 -0.035 234 H GLY 31 H GLY 31 -3.008 -12.607 -2.959 235 1HA GLY 31 2HA GLY 31 -5.044 -11.373 -2.891 236 2HA GLY 31 1HA GLY 31 -4.461 -10.409 -1.542 237 H ILE 32 H ILE 32 -1.938 -9.493 -2.246 238 HA ILE 32 HA ILE 32 -2.735 -7.488 -3.999 239 HB ILE 32 HB ILE 32 -1.529 -7.232 -2.005 240 1HG1 ILE 32 2HG1 ILE 32 -1.426 -5.668 -3.934 241 2HG1 ILE 32 3HG1 ILE 32 -0.312 -5.515 -2.550 242 1HG2 ILE 32 1HG2 ILE 32 0.787 -7.540 -1.751 243 2HG2 ILE 32 2HG2 ILE 32 -0.083 -9.069 -1.821 244 3HG2 ILE 32 3HG2 ILE 32 0.893 -8.555 -3.210 245 1HD1 ILE 32 1HD1 ILE 32 0.877 -5.034 -4.654 246 2HD1 ILE 32 2HD1 ILE 32 1.544 -6.454 -3.865 247 3HD1 ILE 32 3HD1 ILE 32 0.481 -6.635 -5.280 248 H LEU 33 H LEU 33 -3.015 -7.866 -6.091 249 HA LEU 33 HA LEU 33 -1.117 -9.520 -7.606 250 1HB LEU 33 2HB LEU 33 -2.579 -9.317 -9.432 251 2HB LEU 33 3HB LEU 33 -3.530 -9.648 -7.993 252 HG LEU 33 HG LEU 33 -3.524 -6.826 -8.169 253 1HD1 LEU 33 1HD1 LEU 33 -4.226 -6.315 -10.437 254 2HD1 LEU 33 2HD1 LEU 33 -2.588 -6.998 -10.457 255 3HD1 LEU 33 3HD1 LEU 33 -3.975 -8.002 -10.931 256 1HD2 LEU 33 1HD2 LEU 33 -5.898 -7.094 -8.732 257 2HD2 LEU 33 2HD2 LEU 33 -5.620 -8.802 -9.143 258 3HD2 LEU 33 3HD2 LEU 33 -5.413 -8.241 -7.471 259 H TYR 34 H TYR 34 -1.678 -6.030 -6.937 260 HA TYR 34 HA TYR 34 0.858 -5.455 -8.240 261 1HB TYR 34 2HB TYR 34 -0.639 -5.433 -10.181 262 2HB TYR 34 3HB TYR 34 -1.782 -4.402 -9.334 263 HD1 TYR 34 HD1 TYR 34 -1.467 -2.011 -9.221 264 HD2 TYR 34 HD2 TYR 34 1.610 -4.537 -10.878 265 HE1 TYR 34 HE1 TYR 34 -0.384 -0.035 -10.209 266 HE2 TYR 34 HE2 TYR 34 2.729 -2.534 -11.828 267 HH TYR 34 HH TYR 34 1.455 0.745 -11.287 268 H CYS 35 H CYS 35 1.554 -3.248 -7.757 269 HA CYS 35 HA CYS 35 -0.141 -1.641 -6.014 270 1HB CYS 35 2HB CYS 35 1.121 -2.809 -4.285 271 2HB CYS 35 3HB CYS 35 2.644 -2.565 -5.182 272 HG CYS 35 HG CYS 35 2.641 -1.011 -3.141 273 H SER 36 H SER 36 0.068 0.449 -6.611 274 HA SER 36 HA SER 36 2.631 1.383 -7.863 275 1HB SER 36 2HB SER 36 -0.226 2.176 -8.482 276 2HB SER 36 3HB SER 36 1.061 3.389 -8.545 277 HG SER 36 HG SER 36 2.218 2.033 -9.951 278 H VAL 37 H VAL 37 3.494 1.586 -5.674 279 HA VAL 37 HA VAL 37 2.369 3.845 -4.222 280 HB VAL 37 HB VAL 37 3.338 1.816 -3.118 281 1HG1 VAL 37 1HG1 VAL 37 5.650 1.380 -3.115 282 2HG1 VAL 37 2HG1 VAL 37 5.303 1.662 -4.822 283 3HG1 VAL 37 3HG1 VAL 37 6.037 2.944 -3.841 284 1HG2 VAL 37 1HG2 VAL 37 4.512 4.545 -2.542 285 2HG2 VAL 37 2HG2 VAL 37 3.142 3.750 -1.761 286 3HG2 VAL 37 3HG2 VAL 37 4.790 3.136 -1.520 287 H ALA 38 H ALA 38 3.266 5.865 -4.068 288 HA ALA 38 HA ALA 38 5.775 6.438 -5.479 289 1HB ALA 38 1HB ALA 38 4.864 8.376 -6.657 290 2HB ALA 38 2HB ALA 38 4.101 6.875 -7.236 291 3HB ALA 38 3HB ALA 38 3.215 7.957 -6.131 292 H LEU 39 H LEU 39 6.914 7.996 -4.502 293 HA LEU 39 HA LEU 39 6.070 8.858 -1.860 294 1HB LEU 39 2HB LEU 39 8.274 9.626 -1.542 295 2HB LEU 39 3HB LEU 39 8.372 8.116 -2.435 296 HG LEU 39 HG LEU 39 8.481 9.791 -4.555 297 1HD1 LEU 39 1HD1 LEU 39 9.831 11.781 -4.009 298 2HD1 LEU 39 2HD1 LEU 39 8.318 11.895 -3.109 299 3HD1 LEU 39 3HD1 LEU 39 9.791 11.378 -2.283 300 1HD2 LEU 39 1HD2 LEU 39 10.948 9.651 -4.391 301 2HD2 LEU 39 2HD2 LEU 39 10.788 9.158 -2.692 302 3HD2 LEU 39 3HD2 LEU 39 10.170 8.114 -3.987 303 H ALA 40 H ALA 40 6.393 10.360 -5.039 304 HA ALA 40 HA ALA 40 6.500 13.031 -4.459 305 1HB ALA 40 1HB ALA 40 4.866 11.713 -6.672 306 2HB ALA 40 2HB ALA 40 5.411 13.404 -6.642 307 3HB ALA 40 3HB ALA 40 6.604 12.093 -6.732 308 H THR 41 H THR 41 3.510 11.038 -4.554 309 HA THR 41 HA THR 41 1.965 13.241 -3.263 310 HB THR 41 HB THR 41 0.094 11.754 -4.286 311 HG1 THR 41 1HG THR 41 0.959 10.760 -6.275 312 1HG2 THR 41 1HG2 THR 41 0.668 14.028 -5.101 313 2HG2 THR 41 2HG2 THR 41 1.966 13.348 -6.103 314 3HG2 THR 41 3HG2 THR 41 0.268 12.955 -6.453 315 H ASN 42 H ASN 42 3.804 11.104 -2.070 316 HA ASN 42 HA ASN 42 3.800 9.347 -0.595 317 1HB ASN 42 2HB ASN 42 2.325 11.728 0.551 318 2HB ASN 42 3HB ASN 42 2.480 10.293 1.554 319 1HD2 ASN 42 1HD2 ASN 42 4.613 9.325 1.898 320 2HD2 ASN 42 2HD2 ASN 42 6.033 10.403 1.861 321 H LYS 43 H LYS 43 2.322 8.157 -2.374 322 HA LYS 43 HA LYS 43 -0.004 7.146 -0.822 323 1HB LYS 43 2HB LYS 43 -1.438 7.117 -2.752 324 2HB LYS 43 3HB LYS 43 -1.025 8.763 -2.261 325 1HG LYS 43 2HG LYS 43 0.311 9.141 -4.128 326 2HG LYS 43 3HG LYS 43 0.616 7.433 -4.434 327 1HD LYS 43 2HD LYS 43 -0.878 8.318 -6.143 328 2HD LYS 43 3HD LYS 43 -1.659 7.049 -5.190 329 1HE LYS 43 2HE LYS 43 -2.865 8.758 -3.862 330 2HE LYS 43 3HE LYS 43 -2.106 10.061 -4.785 331 1HZ LYS 43 1HZ LYS 43 -3.559 7.959 -6.210 332 2HZ LYS 43 2HZ LYS 43 -4.457 8.921 -5.372 333 3HZ LYS 43 3HZ LYS 43 -3.499 9.578 -6.576 334 H ALA 44 H ALA 44 -0.674 5.124 -1.168 335 HA ALA 44 HA ALA 44 0.792 3.346 -3.052 336 1HB ALA 44 1HB ALA 44 1.416 2.857 -0.672 337 2HB ALA 44 2HB ALA 44 -0.296 2.617 -0.318 338 3HB ALA 44 3HB ALA 44 0.533 1.557 -1.485 339 H HIS 45 H HIS 45 -0.548 2.817 -4.685 340 HA HIS 45 HA HIS 45 -3.436 2.447 -4.135 341 1HB HIS 45 2HB HIS 45 -3.057 3.953 -5.929 342 2HB HIS 45 3HB HIS 45 -1.674 3.045 -6.518 343 HD1 HIS 45 1HD HIS 45 -2.958 3.401 -8.853 344 HD2 HIS 45 2HD HIS 45 -4.357 0.513 -6.135 345 HE1 HIS 45 1HE HIS 45 -4.132 1.629 -10.217 346 H ILE 46 H ILE 46 -3.498 0.411 -3.239 347 HA ILE 46 HA ILE 46 -1.731 -1.743 -4.304 348 HB ILE 46 HB ILE 46 -3.503 -1.683 -1.819 349 1HG1 ILE 46 2HG1 ILE 46 -1.003 -2.089 -0.874 350 2HG1 ILE 46 3HG1 ILE 46 -0.557 -1.164 -2.308 351 1HG2 ILE 46 1HG2 ILE 46 -1.564 -3.722 -2.888 352 2HG2 ILE 46 2HG2 ILE 46 -2.338 -3.831 -1.293 353 3HG2 ILE 46 3HG2 ILE 46 -3.323 -3.961 -2.746 354 1HD1 ILE 46 1HD1 ILE 46 -2.566 -0.315 -0.177 355 2HD1 ILE 46 2HD1 ILE 46 -0.865 0.179 -0.215 356 3HD1 ILE 46 3HD1 ILE 46 -1.971 0.711 -1.498 357 H LYS 47 H LYS 47 -2.654 -3.562 -5.358 358 HA LYS 47 HA LYS 47 -5.621 -3.475 -5.789 359 1HB LYS 47 2HB LYS 47 -3.437 -4.424 -7.672 360 2HB LYS 47 3HB LYS 47 -5.184 -4.387 -7.954 361 1HG LYS 47 2HG LYS 47 -4.966 -1.801 -7.462 362 2HG LYS 47 3HG LYS 47 -3.233 -2.040 -7.633 363 1HD LYS 47 2HD LYS 47 -3.836 -1.523 -9.836 364 2HD LYS 47 3HD LYS 47 -3.902 -3.303 -9.863 365 1HE LYS 47 2HE LYS 47 -6.419 -3.062 -9.281 366 2HE LYS 47 3HE LYS 47 -6.211 -1.321 -9.530 367 1HZ LYS 47 1HZ LYS 47 -5.777 -3.415 -11.554 368 2HZ LYS 47 2HZ LYS 47 -7.076 -2.417 -11.459 369 3HZ LYS 47 3HZ LYS 47 -5.592 -1.793 -11.800 370 H TYR 48 H TYR 48 -5.974 -4.776 -3.967 371 HA TYR 48 HA TYR 48 -4.803 -7.449 -4.024 372 1HB TYR 48 2HB TYR 48 -5.505 -7.664 -1.746 373 2HB TYR 48 3HB TYR 48 -4.565 -6.195 -1.946 374 HD1 TYR 48 HD1 TYR 48 -5.560 -4.001 -1.521 375 HD2 TYR 48 HD2 TYR 48 -7.992 -7.559 -1.410 376 HE1 TYR 48 HE1 TYR 48 -7.290 -2.808 -0.203 377 HE2 TYR 48 HE2 TYR 48 -9.795 -6.299 -0.310 378 HH TYR 48 HH TYR 48 -10.445 -4.286 0.561 379 H ASP 49 H ASP 49 -5.957 -9.335 -3.971 380 HA ASP 49 HA ASP 49 -8.547 -9.455 -5.163 381 1HB ASP 49 2HB ASP 49 -7.147 -11.620 -3.521 382 2HB ASP 49 3HB ASP 49 -8.447 -11.821 -4.686 383 HA PRO 50 HA PRO 50 -10.397 -8.679 -1.046 384 1HB PRO 50 2HB PRO 50 -12.938 -8.053 -1.735 385 2HB PRO 50 3HB PRO 50 -11.568 -7.009 -2.197 386 1HG PRO 50 2HG PRO 50 -12.866 -9.158 -3.905 387 2HG PRO 50 3HG PRO 50 -12.610 -7.438 -4.331 388 1HD PRO 50 2HD PRO 50 -10.838 -9.383 -5.065 389 2HD PRO 50 3HD PRO 50 -10.277 -7.758 -4.569 390 H GLU 51 H GLU 51 -9.888 -11.421 -1.851 391 HA GLU 51 HA GLU 51 -12.373 -12.903 -1.216 392 1HB GLU 51 2HB GLU 51 -10.776 -14.864 -1.234 393 2HB GLU 51 3HB GLU 51 -11.083 -14.083 -2.780 394 1HG GLU 51 2HG GLU 51 -8.946 -13.161 -2.926 395 2HG GLU 51 3HG GLU 51 -8.632 -13.276 -1.196 396 H ILE 52 H ILE 52 -9.294 -11.912 0.216 397 HA ILE 52 HA ILE 52 -10.186 -12.917 2.887 398 HB ILE 52 HB ILE 52 -7.998 -13.805 3.260 399 1HG1 ILE 52 2HG1 ILE 52 -7.223 -12.933 0.468 400 2HG1 ILE 52 3HG1 ILE 52 -6.502 -12.470 2.017 401 1HG2 ILE 52 1HG2 ILE 52 -9.018 -14.957 0.649 402 2HG2 ILE 52 2HG2 ILE 52 -8.221 -15.810 1.983 403 3HG2 ILE 52 3HG2 ILE 52 -9.846 -15.166 2.205 404 1HD1 ILE 52 1HD1 ILE 52 -5.068 -14.031 0.988 405 2HD1 ILE 52 2HD1 ILE 52 -5.801 -14.805 2.410 406 3HD1 ILE 52 3HD1 ILE 52 -6.377 -15.208 0.770 407 H ILE 53 H ILE 53 -7.851 -10.761 1.223 408 HA ILE 53 HA ILE 53 -7.135 -9.605 3.815 409 HB ILE 53 HB ILE 53 -5.481 -10.369 2.178 410 1HG1 ILE 53 2HG1 ILE 53 -4.661 -7.580 2.090 411 2HG1 ILE 53 3HG1 ILE 53 -5.429 -7.941 3.631 412 1HG2 ILE 53 1HG2 ILE 53 -6.379 -8.054 0.447 413 2HG2 ILE 53 2HG2 ILE 53 -4.937 -9.048 0.195 414 3HG2 ILE 53 3HG2 ILE 53 -6.544 -9.778 0.043 415 1HD1 ILE 53 1HD1 ILE 53 -3.257 -9.675 2.407 416 2HD1 ILE 53 2HD1 ILE 53 -2.951 -8.392 3.600 417 3HD1 ILE 53 3HD1 ILE 53 -3.940 -9.804 4.041 418 H GLY 54 H GLY 54 -7.349 -7.366 4.391 419 1HA GLY 54 2HA GLY 54 -9.108 -5.702 2.616 420 2HA GLY 54 1HA GLY 54 -9.335 -5.909 4.365 421 HA PRO 55 HA PRO 55 -6.460 -2.278 3.555 422 1HB PRO 55 2HB PRO 55 -7.850 -0.410 5.008 423 2HB PRO 55 3HB PRO 55 -8.173 -0.758 3.285 424 1HG PRO 55 2HG PRO 55 -9.643 -1.850 5.698 425 2HG PRO 55 3HG PRO 55 -10.342 -1.141 4.214 426 1HD PRO 55 2HD PRO 55 -10.128 -3.823 4.531 427 2HD PRO 55 3HD PRO 55 -9.820 -3.074 2.941 428 H ARG 56 H ARG 56 -8.174 -3.573 6.388 429 HA ARG 56 HA ARG 56 -6.677 -2.548 8.483 430 1HB ARG 56 2HB ARG 56 -8.775 -3.935 8.594 431 2HB ARG 56 3HB ARG 56 -7.821 -5.354 8.176 432 1HG ARG 56 2HG ARG 56 -8.232 -5.418 10.482 433 2HG ARG 56 3HG ARG 56 -6.516 -5.066 10.316 434 1HD ARG 56 2HD ARG 56 -8.587 -2.844 10.718 435 2HD ARG 56 3HD ARG 56 -8.006 -3.804 12.063 436 HE ARG 56 HE ARG 56 -5.764 -3.106 11.785 437 1HH1 ARG 56 2HH2 ARG 56 -8.057 -1.028 10.028 438 2HH1 ARG 56 1HH2 ARG 56 -7.009 0.356 10.103 439 1HH2 ARG 56 2HH1 ARG 56 -4.443 -1.440 11.780 440 2HH2 ARG 56 1HH1 ARG 56 -4.845 0.137 11.170 441 H ASP 57 H ASP 57 -6.075 -5.630 6.693 442 HA ASP 57 HA ASP 57 -3.758 -6.387 8.074 443 1HB ASP 57 2HB ASP 57 -4.224 -6.988 5.150 444 2HB ASP 57 3HB ASP 57 -3.536 -8.033 6.389 445 H ILE 58 H ILE 58 -4.179 -4.730 4.943 446 HA ILE 58 HA ILE 58 -1.487 -4.300 4.240 447 HB ILE 58 HB ILE 58 -3.966 -2.616 3.727 448 1HG1 ILE 58 2HG1 ILE 58 -2.417 -4.539 1.923 449 2HG1 ILE 58 3HG1 ILE 58 -3.884 -4.969 2.813 450 1HG2 ILE 58 1HG2 ILE 58 -2.668 -1.503 1.923 451 2HG2 ILE 58 2HG2 ILE 58 -1.992 -1.154 3.491 452 3HG2 ILE 58 3HG2 ILE 58 -1.209 -2.364 2.452 453 1HD1 ILE 58 1HD1 ILE 58 -4.549 -4.425 0.616 454 2HD1 ILE 58 2HD1 ILE 58 -5.084 -3.084 1.661 455 3HD1 ILE 58 3HD1 ILE 58 -3.663 -2.889 0.612 456 H ILE 59 H ILE 59 -3.685 -2.260 6.224 457 HA ILE 59 HA ILE 59 -1.873 -0.189 6.629 458 HB ILE 59 HB ILE 59 -4.231 -1.154 8.218 459 1HG1 ILE 59 2HG1 ILE 59 -3.795 1.564 6.928 460 2HG1 ILE 59 3HG1 ILE 59 -4.270 0.175 5.947 461 1HG2 ILE 59 1HG2 ILE 59 -2.862 -0.301 9.956 462 2HG2 ILE 59 2HG2 ILE 59 -2.286 1.059 8.984 463 3HG2 ILE 59 3HG2 ILE 59 -3.956 1.031 9.556 464 1HD1 ILE 59 1HD1 ILE 59 -6.230 1.390 6.608 465 2HD1 ILE 59 2HD1 ILE 59 -6.241 -0.184 7.429 466 3HD1 ILE 59 3HD1 ILE 59 -5.808 1.291 8.325 467 H HIS 60 H HIS 60 -2.358 -3.146 8.660 468 HA HIS 60 HA HIS 60 -0.306 -2.303 10.528 469 1HB HIS 60 2HB HIS 60 -1.639 -4.981 10.045 470 2HB HIS 60 3HB HIS 60 -0.388 -4.720 11.272 471 HD1 HIS 60 1HD HIS 60 -1.062 -2.251 12.811 472 HD2 HIS 60 2HD HIS 60 -4.055 -4.597 10.993 473 HE1 HIS 60 1HE HIS 60 -3.221 -1.714 14.010 474 H THR 61 H THR 61 -0.307 -4.200 7.581 475 HA THR 61 HA THR 61 2.381 -5.180 7.732 476 HB THR 61 HB THR 61 0.681 -4.406 5.335 477 HG1 THR 61 1HG THR 61 -0.294 -5.956 6.601 478 1HG2 THR 61 1HG2 THR 61 3.056 -4.727 4.644 479 2HG2 THR 61 2HG2 THR 61 3.097 -6.274 5.526 480 3HG2 THR 61 3HG2 THR 61 2.055 -6.092 4.107 481 H ILE 62 H ILE 62 1.045 -2.123 6.328 482 HA ILE 62 HA ILE 62 3.670 -1.115 5.694 483 HB ILE 62 HB ILE 62 0.951 0.166 5.688 484 1HG1 ILE 62 2HG1 ILE 62 2.755 -0.861 3.447 485 2HG1 ILE 62 3HG1 ILE 62 1.339 -1.709 4.066 486 1HG2 ILE 62 1HG2 ILE 62 1.987 1.981 4.395 487 2HG2 ILE 62 2HG2 ILE 62 2.765 1.884 5.962 488 3HG2 ILE 62 3HG2 ILE 62 3.578 1.209 4.536 489 1HD1 ILE 62 1HD1 ILE 62 -0.059 0.293 3.416 490 2HD1 ILE 62 2HD1 ILE 62 1.364 0.912 2.541 491 3HD1 ILE 62 3HD1 ILE 62 0.650 -0.635 2.077 492 H GLU 63 H GLU 63 1.547 -0.702 8.556 493 HA GLU 63 HA GLU 63 3.100 1.232 9.948 494 1HB GLU 63 2HB GLU 63 1.648 -1.243 10.962 495 2HB GLU 63 3HB GLU 63 2.382 -0.048 12.011 496 1HG GLU 63 2HG GLU 63 0.862 1.670 11.357 497 2HG GLU 63 3HG GLU 63 0.204 0.709 10.035 498 H SER 64 H SER 64 3.424 -2.353 9.709 499 HA SER 64 HA SER 64 5.829 -2.521 11.204 500 1HB SER 64 2HB SER 64 5.009 -4.415 8.969 501 2HB SER 64 3HB SER 64 6.094 -4.723 10.324 502 HG SER 64 HG SER 64 3.306 -4.138 10.495 503 H LEU 65 H LEU 65 5.342 -2.014 7.665 504 HA LEU 65 HA LEU 65 8.153 -1.881 7.051 505 1HB LEU 65 2HB LEU 65 5.918 -0.347 5.679 506 2HB LEU 65 3HB LEU 65 7.544 -0.623 5.066 507 HG LEU 65 HG LEU 65 5.404 -2.744 5.482 508 1HD1 LEU 65 1HD1 LEU 65 6.763 -1.660 2.999 509 2HD1 LEU 65 2HD1 LEU 65 5.497 -2.909 3.040 510 3HD1 LEU 65 3HD1 LEU 65 5.122 -1.246 3.527 511 1HD2 LEU 65 1HD2 LEU 65 7.575 -3.770 5.986 512 2HD2 LEU 65 2HD2 LEU 65 6.970 -4.304 4.421 513 3HD2 LEU 65 3HD2 LEU 65 8.262 -3.083 4.491 514 H GLY 66 H GLY 66 5.928 0.524 8.388 515 1HA GLY 66 2HA GLY 66 6.718 2.083 9.980 516 2HA GLY 66 1HA GLY 66 8.280 2.179 9.174 517 H PHE 67 H PHE 67 4.919 2.458 7.844 518 HA PHE 67 HA PHE 67 5.315 5.377 7.493 519 1HB PHE 67 2HB PHE 67 4.151 3.629 5.302 520 2HB PHE 67 3HB PHE 67 4.475 5.354 5.248 521 HD1 PHE 67 1HD PHE 67 5.707 2.182 4.257 522 HD2 PHE 67 2HD PHE 67 7.070 5.962 5.813 523 HE1 PHE 67 1HE PHE 67 7.944 1.772 3.298 524 HE2 PHE 67 2HE PHE 67 9.337 5.504 4.937 525 HZ PHE 67 HZ PHE 67 9.789 3.410 3.696 526 H GLU 68 H GLU 68 3.127 6.423 7.023 527 HA GLU 68 HA GLU 68 1.134 5.184 8.840 528 1HB GLU 68 2HB GLU 68 1.696 7.995 7.953 529 2HB GLU 68 3HB GLU 68 0.443 7.483 9.098 530 1HG GLU 68 2HG GLU 68 2.136 6.740 10.695 531 2HG GLU 68 3HG GLU 68 3.436 6.996 9.519 532 HA PRO 69 HA PRO 69 -0.865 5.024 4.631 533 1HB PRO 69 2HB PRO 69 -2.273 2.698 4.927 534 2HB PRO 69 3HB PRO 69 -0.511 2.731 4.580 535 1HG PRO 69 2HG PRO 69 -1.838 2.444 7.267 536 2HG PRO 69 3HG PRO 69 -0.561 1.422 6.546 537 1HD PRO 69 2HD PRO 69 0.057 3.374 8.272 538 2HD PRO 69 3HD PRO 69 1.053 3.097 6.811 539 H SER 70 H SER 70 -2.054 6.839 5.015 540 HA SER 70 HA SER 70 -4.419 6.845 6.759 541 1HB SER 70 2HB SER 70 -3.408 8.952 4.805 542 2HB SER 70 3HB SER 70 -4.441 9.197 6.221 543 HG SER 70 HG SER 70 -1.743 8.215 6.269 544 H LEU 71 H LEU 71 -6.400 6.040 5.902 545 HA LEU 71 HA LEU 71 -6.612 5.370 3.099 546 1HB LEU 71 2HB LEU 71 -8.661 5.413 5.338 547 2HB LEU 71 3HB LEU 71 -8.953 4.715 3.743 548 HG LEU 71 HG LEU 71 -6.735 3.694 5.546 549 1HD1 LEU 71 1HD1 LEU 71 -8.393 1.877 6.110 550 2HD1 LEU 71 2HD1 LEU 71 -8.868 3.466 6.733 551 3HD1 LEU 71 3HD1 LEU 71 -9.647 2.809 5.278 552 1HD2 LEU 71 1HD2 LEU 71 -6.631 3.118 3.081 553 2HD2 LEU 71 2HD2 LEU 71 -6.895 1.709 4.112 554 3HD2 LEU 71 3HD2 LEU 71 -8.251 2.419 3.212 555 H VAL 72 H VAL 72 -6.096 7.915 2.707 556 HA VAL 72 HA VAL 72 -8.593 9.490 2.510 557 HB VAL 72 HB VAL 72 -5.812 10.207 1.568 558 1HG1 VAL 72 1HG1 VAL 72 -7.651 11.633 0.648 559 2HG1 VAL 72 2HG1 VAL 72 -8.236 11.922 2.297 560 3HG1 VAL 72 3HG1 VAL 72 -6.649 12.531 1.790 561 1HG2 VAL 72 1HG2 VAL 72 -7.120 10.732 4.271 562 2HG2 VAL 72 2HG2 VAL 72 -5.663 9.760 3.975 563 3HG2 VAL 72 3HG2 VAL 72 -5.624 11.501 3.699 564 H LYS 73 H LYS 73 -9.263 7.448 1.236 565 HA LYS 73 HA LYS 73 -8.438 7.350 -1.560 566 1HB LYS 73 2HB LYS 73 -9.122 5.342 -0.410 567 2HB LYS 73 3HB LYS 73 -10.689 6.033 0.002 568 1HG LYS 73 2HG LYS 73 -10.717 4.302 -1.770 569 2HG LYS 73 3HG LYS 73 -11.509 5.803 -2.208 570 1HD LYS 73 2HD LYS 73 -8.654 5.754 -3.032 571 2HD LYS 73 3HD LYS 73 -9.542 4.407 -3.705 572 1HE LYS 73 2HE LYS 73 -10.660 7.232 -3.879 573 2HE LYS 73 3HE LYS 73 -9.477 6.643 -5.042 574 1HZ LYS 73 1HZ LYS 73 -10.904 5.259 -5.963 575 2HZ LYS 73 2HZ LYS 73 -11.887 5.017 -4.611 576 3HZ LYS 73 3HZ LYS 73 -11.931 6.372 -5.574 577 H ILE 74 H ILE 74 -8.725 9.775 -1.555 578 HA ILE 74 HA ILE 74 -11.436 10.775 -1.872 579 HB ILE 74 HB ILE 74 -9.769 12.143 -0.802 580 1HG1 ILE 74 2HG1 ILE 74 -10.022 14.251 -2.034 581 2HG1 ILE 74 3HG1 ILE 74 -10.579 13.386 -3.468 582 1HG2 ILE 74 1HG2 ILE 74 -7.887 13.164 -1.932 583 2HG2 ILE 74 2HG2 ILE 74 -7.712 11.413 -2.023 584 3HG2 ILE 74 3HG2 ILE 74 -8.264 12.326 -3.440 585 1HD1 ILE 74 1HD1 ILE 74 -11.972 13.326 -0.747 586 2HD1 ILE 74 2HD1 ILE 74 -12.408 14.402 -2.089 587 3HD1 ILE 74 3HD1 ILE 74 -12.601 12.656 -2.274 588 H GLU 75 H GLU 75 -8.698 10.098 -4.040 589 HA GLU 75 HA GLU 75 -8.555 9.614 -6.207 590 1HB GLU 75 2HB GLU 75 -11.033 8.650 -5.706 591 2HB GLU 75 3HB GLU 75 -11.482 9.890 -6.853 592 1HG GLU 75 2HG GLU 75 -10.500 8.764 -8.636 593 2HG GLU 75 3HG GLU 75 -9.212 8.061 -7.646 Start of MODEL 26 1 1H MET 1 H1 MET 1 -13.373 -11.753 -12.956 2 2H MET 1 H2 MET 1 -15.025 -11.851 -12.762 3 3H MET 1 H3 MET 1 -14.306 -10.525 -13.496 4 HA MET 1 HA MET 1 -15.071 -10.196 -11.163 5 1HB MET 1 2HB MET 1 -12.358 -11.572 -10.792 6 2HB MET 1 3HB MET 1 -13.255 -10.697 -9.540 7 1HG MET 1 2HG MET 1 -15.129 -12.300 -9.742 8 2HG MET 1 3HG MET 1 -14.168 -13.259 -10.887 9 1HE MET 1 1HE MET 1 -14.573 -15.398 -9.352 10 2HE MET 1 2HE MET 1 -14.197 -15.420 -7.611 11 3HE MET 1 3HE MET 1 -15.514 -14.393 -8.217 12 H GLY 2 H GLY 2 -12.822 -8.776 -9.952 13 1HA GLY 2 2HA GLY 2 -11.389 -7.412 -12.075 14 2HA GLY 2 1HA GLY 2 -12.557 -6.408 -11.175 15 H ASP 3 H ASP 3 -9.679 -6.074 -11.062 16 HA ASP 3 HA ASP 3 -8.604 -7.296 -8.683 17 1HB ASP 3 2HB ASP 3 -6.800 -5.567 -9.112 18 2HB ASP 3 3HB ASP 3 -7.072 -6.752 -10.392 19 H GLY 4 H GLY 4 -8.648 -6.506 -6.588 20 1HA GLY 4 2HA GLY 4 -10.536 -4.375 -5.954 21 2HA GLY 4 1HA GLY 4 -9.547 -5.336 -4.846 22 H VAL 5 H VAL 5 -9.404 -2.668 -7.199 23 HA VAL 5 HA VAL 5 -6.792 -1.785 -6.266 24 HB VAL 5 HB VAL 5 -6.989 0.034 -7.755 25 1HG1 VAL 5 1HG1 VAL 5 -8.359 -2.294 -9.150 26 2HG1 VAL 5 2HG1 VAL 5 -7.241 -1.112 -9.837 27 3HG1 VAL 5 3HG1 VAL 5 -6.655 -2.318 -8.670 28 1HG2 VAL 5 1HG2 VAL 5 -9.042 0.428 -9.146 29 2HG2 VAL 5 2HG2 VAL 5 -9.951 -0.631 -8.050 30 3HG2 VAL 5 3HG2 VAL 5 -9.237 0.888 -7.457 31 H LEU 6 H LEU 6 -6.332 -0.515 -4.499 32 HA LEU 6 HA LEU 6 -8.036 1.754 -4.094 33 1HB LEU 6 2HB LEU 6 -8.371 1.562 -1.671 34 2HB LEU 6 3HB LEU 6 -9.226 0.319 -2.574 35 HG LEU 6 HG LEU 6 -7.338 -1.283 -1.973 36 1HD1 LEU 6 1HD1 LEU 6 -6.618 0.995 -0.075 37 2HD1 LEU 6 2HD1 LEU 6 -6.161 -0.696 0.202 38 3HD1 LEU 6 3HD1 LEU 6 -5.541 0.143 -1.208 39 1HD2 LEU 6 1HD2 LEU 6 -8.964 -0.051 0.304 40 2HD2 LEU 6 2HD2 LEU 6 -9.593 -1.222 -0.872 41 3HD2 LEU 6 3HD2 LEU 6 -8.314 -1.704 0.254 42 H GLU 7 H GLU 7 -6.959 3.382 -2.618 43 HA GLU 7 HA GLU 7 -4.090 2.846 -2.403 44 1HB GLU 7 2HB GLU 7 -4.297 5.568 -3.008 45 2HB GLU 7 3HB GLU 7 -3.646 4.320 -4.055 46 1HG GLU 7 2HG GLU 7 -5.275 5.627 -5.280 47 2HG GLU 7 3HG GLU 7 -5.924 4.004 -5.070 48 H LEU 8 H LEU 8 -2.971 4.102 -0.968 49 HA LEU 8 HA LEU 8 -4.499 5.464 1.173 50 1HB LEU 8 2HB LEU 8 -2.979 4.117 2.775 51 2HB LEU 8 3HB LEU 8 -4.456 3.366 2.190 52 HG LEU 8 HG LEU 8 -1.926 2.857 0.628 53 1HD1 LEU 8 1HD1 LEU 8 -1.258 2.537 2.979 54 2HD1 LEU 8 2HD1 LEU 8 -2.600 1.383 3.194 55 3HD1 LEU 8 3HD1 LEU 8 -1.274 1.022 2.068 56 1HD2 LEU 8 1HD2 LEU 8 -2.979 0.562 0.461 57 2HD2 LEU 8 2HD2 LEU 8 -4.344 1.142 1.422 58 3HD2 LEU 8 3HD2 LEU 8 -4.035 1.810 -0.191 59 H VAL 9 H VAL 9 -3.388 7.135 1.986 60 HA VAL 9 HA VAL 9 -0.950 8.022 0.645 61 HB VAL 9 HB VAL 9 -2.613 9.311 2.827 62 1HG1 VAL 9 1HG1 VAL 9 -0.409 10.447 1.043 63 2HG1 VAL 9 2HG1 VAL 9 -1.384 11.363 2.210 64 3HG1 VAL 9 3HG1 VAL 9 -0.260 10.122 2.780 65 1HG2 VAL 9 1HG2 VAL 9 -3.850 9.058 0.668 66 2HG2 VAL 9 2HG2 VAL 9 -3.468 10.749 1.029 67 3HG2 VAL 9 3HG2 VAL 9 -2.512 9.869 -0.171 68 H VAL 10 H VAL 10 0.904 7.101 1.365 69 HA VAL 10 HA VAL 10 1.003 5.770 4.025 70 HB VAL 10 HB VAL 10 2.999 4.676 2.942 71 1HG1 VAL 10 1HG1 VAL 10 0.778 3.584 3.248 72 2HG1 VAL 10 2HG1 VAL 10 0.289 4.145 1.648 73 3HG1 VAL 10 3HG1 VAL 10 1.627 2.991 1.807 74 1HG2 VAL 10 1HG2 VAL 10 3.208 4.562 0.574 75 2HG2 VAL 10 2HG2 VAL 10 1.733 5.492 0.308 76 3HG2 VAL 10 3HG2 VAL 10 3.162 6.298 0.954 77 H ARG 11 H ARG 11 1.122 7.970 4.908 78 HA ARG 11 HA ARG 11 3.008 9.729 3.674 79 1HB ARG 11 2HB ARG 11 2.521 11.345 5.441 80 2HB ARG 11 3HB ARG 11 1.103 10.734 4.585 81 1HG ARG 11 2HG ARG 11 0.529 9.280 6.449 82 2HG ARG 11 3HG ARG 11 2.013 9.759 7.319 83 1HD ARG 11 2HD ARG 11 1.260 12.028 7.516 84 2HD ARG 11 3HD ARG 11 -0.163 11.717 6.525 85 HE ARG 11 HE ARG 11 0.485 10.659 9.277 86 1HH1 ARG 11 2HH2 ARG 11 -2.024 11.297 6.860 87 2HH1 ARG 11 1HH2 ARG 11 -3.216 10.278 7.608 88 1HH2 ARG 11 2HH1 ARG 11 -1.191 9.623 10.473 89 2HH2 ARG 11 1HH1 ARG 11 -2.824 9.607 9.868 90 H GLY 12 H GLY 12 5.107 9.841 3.907 91 1HA GLY 12 2HA GLY 12 6.845 10.239 5.795 92 2HA GLY 12 1HA GLY 12 6.464 8.576 6.256 93 H MET 13 H MET 13 6.032 7.908 3.214 94 HA MET 13 HA MET 13 8.777 7.018 2.940 95 1HB MET 13 2HB MET 13 7.990 5.797 1.016 96 2HB MET 13 3HB MET 13 6.964 5.578 2.434 97 1HG MET 13 2HG MET 13 5.372 5.789 0.946 98 2HG MET 13 3HG MET 13 5.571 7.532 1.120 99 1HE MET 13 1HE MET 13 4.717 6.471 -2.639 100 2HE MET 13 2HE MET 13 4.344 5.525 -1.189 101 3HE MET 13 3HE MET 13 4.116 7.283 -1.163 102 H THR 14 H THR 14 10.371 8.376 2.316 103 HA THR 14 HA THR 14 9.725 10.804 0.890 104 HB THR 14 HB THR 14 12.248 11.130 1.214 105 HG1 THR 14 1HG THR 14 13.001 9.080 1.506 106 1HG2 THR 14 1HG2 THR 14 10.552 12.044 2.781 107 2HG2 THR 14 2HG2 THR 14 10.558 10.508 3.677 108 3HG2 THR 14 3HG2 THR 14 12.018 11.510 3.629 109 H CYS 15 H CYS 15 11.557 7.807 0.075 110 HA CYS 15 HA CYS 15 12.049 8.879 -2.664 111 1HB CYS 15 2HB CYS 15 14.442 8.728 -2.288 112 2HB CYS 15 3HB CYS 15 13.732 9.747 -1.048 113 H ALA 16 H ALA 16 13.611 7.328 -3.790 114 HA ALA 16 HA ALA 16 12.434 5.014 -4.580 115 1HB ALA 16 1HB ALA 16 14.650 4.312 -5.392 116 2HB ALA 16 2HB ALA 16 14.346 6.033 -5.703 117 3HB ALA 16 3HB ALA 16 15.422 5.544 -4.372 118 H SER 17 H SER 17 14.913 5.274 -1.978 119 HA SER 17 HA SER 17 15.241 2.695 -1.181 120 1HB SER 17 2HB SER 17 14.953 5.021 0.731 121 2HB SER 17 3HB SER 17 16.060 3.640 0.828 122 HG SER 17 HG SER 17 16.677 5.907 -0.156 123 H CYS 18 H CYS 18 12.571 4.924 -0.308 124 HA CYS 18 HA CYS 18 11.331 3.036 1.545 125 1HB CYS 18 2HB CYS 18 10.250 5.622 0.379 126 2HB CYS 18 3HB CYS 18 9.629 4.665 1.730 127 H VAL 19 H VAL 19 10.663 4.409 -1.706 128 HA VAL 19 HA VAL 19 8.226 3.287 -2.304 129 HB VAL 19 HB VAL 19 10.668 3.838 -4.017 130 1HG1 VAL 19 1HG1 VAL 19 9.353 2.233 -5.317 131 2HG1 VAL 19 2HG1 VAL 19 7.906 3.236 -5.108 132 3HG1 VAL 19 3HG1 VAL 19 9.288 3.850 -6.017 133 1HG2 VAL 19 1HG2 VAL 19 9.556 5.774 -2.870 134 2HG2 VAL 19 2HG2 VAL 19 9.518 5.875 -4.636 135 3HG2 VAL 19 3HG2 VAL 19 8.065 5.384 -3.736 136 H HIS 20 H HIS 20 11.438 1.885 -3.121 137 HA HIS 20 HA HIS 20 10.257 -0.565 -3.969 138 1HB HIS 20 2HB HIS 20 12.405 -1.220 -4.569 139 2HB HIS 20 3HB HIS 20 12.115 0.463 -5.019 140 HD1 HIS 20 1HD HIS 20 14.748 0.703 -5.339 141 HD2 HIS 20 2HD HIS 20 13.432 -0.154 -1.440 142 HE1 HIS 20 1HE HIS 20 16.763 1.000 -3.800 143 H LYS 21 H LYS 21 10.891 0.532 -0.819 144 HA LYS 21 HA LYS 21 11.118 -2.161 0.329 145 1HB LYS 21 2HB LYS 21 11.786 -0.973 2.071 146 2HB LYS 21 3HB LYS 21 11.302 0.549 1.353 147 1HG LYS 21 2HG LYS 21 8.985 0.216 2.169 148 2HG LYS 21 3HG LYS 21 9.472 -1.313 2.937 149 1HD LYS 21 2HD LYS 21 10.615 1.470 3.546 150 2HD LYS 21 3HD LYS 21 9.233 0.742 4.391 151 1HE LYS 21 2HE LYS 21 10.727 -1.192 5.072 152 2HE LYS 21 3HE LYS 21 12.098 -0.244 4.462 153 1HZ LYS 21 1HZ LYS 21 11.445 1.521 6.024 154 2HZ LYS 21 2HZ LYS 21 10.235 0.583 6.606 155 3HZ LYS 21 3HZ LYS 21 11.773 0.092 6.817 156 H ILE 22 H ILE 22 8.580 0.370 -0.355 157 HA ILE 22 HA ILE 22 6.589 -1.236 0.943 158 HB ILE 22 HB ILE 22 6.009 0.927 -1.108 159 1HG1 ILE 22 2HG1 ILE 22 6.662 1.117 1.821 160 2HG1 ILE 22 3HG1 ILE 22 7.423 1.947 0.435 161 1HG2 ILE 22 1HG2 ILE 22 4.102 -0.582 -0.450 162 2HG2 ILE 22 2HG2 ILE 22 4.443 -0.223 1.254 163 3HG2 ILE 22 3HG2 ILE 22 3.849 1.041 0.169 164 1HD1 ILE 22 1HD1 ILE 22 5.302 3.184 0.033 165 2HD1 ILE 22 2HD1 ILE 22 4.691 2.549 1.591 166 3HD1 ILE 22 3HD1 ILE 22 6.134 3.568 1.552 167 H GLU 23 H GLU 23 7.173 -0.587 -2.586 168 HA GLU 23 HA GLU 23 4.904 -2.112 -3.243 169 1HB GLU 23 2HB GLU 23 5.636 -2.074 -5.560 170 2HB GLU 23 3HB GLU 23 5.591 -0.511 -4.716 171 1HG GLU 23 2HG GLU 23 7.431 -0.471 -6.199 172 2HG GLU 23 3HG GLU 23 8.064 -0.527 -4.560 173 H SER 24 H SER 24 8.317 -3.239 -3.600 174 HA SER 24 HA SER 24 7.631 -5.872 -4.083 175 1HB SER 24 2HB SER 24 9.900 -4.941 -4.309 176 2HB SER 24 3HB SER 24 10.071 -4.903 -2.549 177 HG SER 24 HG SER 24 10.941 -6.803 -3.567 178 H SER 25 H SER 25 8.029 -4.284 -0.807 179 HA SER 25 HA SER 25 7.959 -6.850 0.516 180 1HB SER 25 2HB SER 25 8.916 -4.799 1.540 181 2HB SER 25 3HB SER 25 7.266 -4.162 1.738 182 HG SER 25 HG SER 25 6.880 -6.155 2.975 183 H LEU 26 H LEU 26 5.406 -4.462 -0.223 184 HA LEU 26 HA LEU 26 3.284 -5.966 1.038 185 1HB LEU 26 2HB LEU 26 3.473 -3.716 -0.977 186 2HB LEU 26 3HB LEU 26 1.963 -4.570 -0.820 187 HG LEU 26 HG LEU 26 2.138 -2.507 0.526 188 1HD1 LEU 26 1HD1 LEU 26 1.579 -5.042 2.122 189 2HD1 LEU 26 2HD1 LEU 26 1.058 -3.411 2.548 190 3HD1 LEU 26 3HD1 LEU 26 0.439 -4.175 1.076 191 1HD2 LEU 26 1HD2 LEU 26 4.465 -2.734 1.360 192 2HD2 LEU 26 2HD2 LEU 26 3.314 -2.563 2.695 193 3HD2 LEU 26 3HD2 LEU 26 3.984 -4.149 2.325 194 H THR 27 H THR 27 4.592 -5.858 -2.315 195 HA THR 27 HA THR 27 2.852 -7.991 -3.165 196 HB THR 27 HB THR 27 5.353 -7.009 -4.571 197 HG1 THR 27 1HG THR 27 4.102 -5.251 -4.236 198 1HG2 THR 27 1HG2 THR 27 2.751 -8.255 -5.592 199 2HG2 THR 27 2HG2 THR 27 4.097 -7.681 -6.592 200 3HG2 THR 27 3HG2 THR 27 4.324 -9.081 -5.531 201 H LYS 28 H LYS 28 3.458 -9.145 -1.159 202 HA LYS 28 HA LYS 28 5.007 -11.518 -1.890 203 1HB LYS 28 2HB LYS 28 5.323 -10.176 0.839 204 2HB LYS 28 3HB LYS 28 6.028 -11.721 0.354 205 1HG LYS 28 2HG LYS 28 6.668 -9.031 -0.863 206 2HG LYS 28 3HG LYS 28 7.578 -9.761 0.425 207 1HD LYS 28 2HD LYS 28 8.319 -11.600 -0.930 208 2HD LYS 28 3HD LYS 28 7.220 -11.204 -2.253 209 1HE LYS 28 2HE LYS 28 9.441 -9.330 -1.324 210 2HE LYS 28 3HE LYS 28 9.666 -10.535 -2.603 211 1HZ LYS 28 1HZ LYS 28 8.013 -9.445 -3.912 212 2HZ LYS 28 2HZ LYS 28 7.577 -8.469 -2.701 213 3HZ LYS 28 3HZ LYS 28 9.052 -8.250 -3.372 214 H HIS 29 H HIS 29 2.945 -9.862 0.600 215 HA HIS 29 HA HIS 29 2.011 -12.233 1.729 216 1HB HIS 29 2HB HIS 29 0.380 -10.946 2.864 217 2HB HIS 29 3HB HIS 29 1.906 -10.069 2.827 218 HD1 HIS 29 1HD HIS 29 -1.467 -10.033 0.888 219 HD2 HIS 29 2HD HIS 29 1.611 -7.530 2.292 220 HE1 HIS 29 1HE HIS 29 -2.262 -7.640 0.551 221 H ARG 30 H ARG 30 0.473 -13.677 1.217 222 HA ARG 30 HA ARG 30 -0.614 -13.848 -1.401 223 1HB ARG 30 2HB ARG 30 -1.367 -15.295 1.174 224 2HB ARG 30 3HB ARG 30 -1.960 -15.711 -0.442 225 1HG ARG 30 2HG ARG 30 0.379 -16.088 -1.207 226 2HG ARG 30 3HG ARG 30 0.964 -15.759 0.439 227 1HD ARG 30 2HD ARG 30 -0.412 -17.624 1.308 228 2HD ARG 30 3HD ARG 30 -1.025 -17.936 -0.338 229 HE ARG 30 HE ARG 30 1.818 -18.003 -0.381 230 1HH1 ARG 30 2HH2 ARG 30 -0.905 -19.861 0.851 231 2HH1 ARG 30 1HH2 ARG 30 -0.117 -21.407 0.777 232 1HH2 ARG 30 2HH1 ARG 30 2.924 -20.041 -0.500 233 2HH2 ARG 30 1HH1 ARG 30 2.128 -21.501 -0.010 234 H GLY 31 H GLY 31 -1.723 -11.923 -1.841 235 1HA GLY 31 2HA GLY 31 -4.438 -11.936 -1.750 236 2HA GLY 31 1HA GLY 31 -4.026 -11.075 -0.250 237 H ILE 32 H ILE 32 -1.500 -9.951 -1.587 238 HA ILE 32 HA ILE 32 -2.830 -7.841 -3.189 239 HB ILE 32 HB ILE 32 -0.319 -7.981 -1.691 240 1HG1 ILE 32 2HG1 ILE 32 -1.847 -5.689 -3.031 241 2HG1 ILE 32 3HG1 ILE 32 -2.312 -6.386 -1.465 242 1HG2 ILE 32 1HG2 ILE 32 -0.215 -6.739 -4.473 243 2HG2 ILE 32 2HG2 ILE 32 1.004 -6.565 -3.208 244 3HG2 ILE 32 3HG2 ILE 32 0.730 -8.144 -3.936 245 1HD1 ILE 32 1HD1 ILE 32 0.104 -4.737 -2.166 246 2HD1 ILE 32 2HD1 ILE 32 -1.050 -4.556 -0.824 247 3HD1 ILE 32 3HD1 ILE 32 0.154 -5.855 -0.781 248 H LEU 33 H LEU 33 -2.796 -7.829 -5.325 249 HA LEU 33 HA LEU 33 -1.327 -10.011 -6.736 250 1HB LEU 33 2HB LEU 33 -2.897 -9.930 -8.470 251 2HB LEU 33 3HB LEU 33 -3.731 -10.089 -6.938 252 HG LEU 33 HG LEU 33 -3.900 -7.397 -7.188 253 1HD1 LEU 33 1HD1 LEU 33 -2.710 -7.334 -9.383 254 2HD1 LEU 33 2HD1 LEU 33 -3.939 -8.419 -10.059 255 3HD1 LEU 33 3HD1 LEU 33 -4.390 -6.791 -9.519 256 1HD2 LEU 33 1HD2 LEU 33 -6.164 -7.746 -8.044 257 2HD2 LEU 33 2HD2 LEU 33 -5.736 -9.397 -8.551 258 3HD2 LEU 33 3HD2 LEU 33 -5.756 -8.966 -6.830 259 H TYR 34 H TYR 34 -1.657 -6.427 -6.389 260 HA TYR 34 HA TYR 34 0.967 -6.262 -7.598 261 1HB TYR 34 2HB TYR 34 -0.408 -6.261 -9.638 262 2HB TYR 34 3HB TYR 34 -1.420 -4.990 -8.989 263 HD1 TYR 34 HD1 TYR 34 1.995 -5.797 -10.232 264 HD2 TYR 34 HD2 TYR 34 -0.801 -2.673 -9.218 265 HE1 TYR 34 HE1 TYR 34 3.437 -4.124 -11.369 266 HE2 TYR 34 HE2 TYR 34 0.605 -1.028 -10.400 267 HH TYR 34 HH TYR 34 2.856 -0.685 -11.088 268 H CYS 35 H CYS 35 1.839 -4.005 -7.380 269 HA CYS 35 HA CYS 35 0.296 -2.175 -5.692 270 1HB CYS 35 2HB CYS 35 1.656 -3.485 -4.019 271 2HB CYS 35 3HB CYS 35 3.117 -3.088 -4.941 272 HG CYS 35 HG CYS 35 2.919 -1.667 -2.755 273 H SER 36 H SER 36 0.953 0.002 -6.111 274 HA SER 36 HA SER 36 3.660 0.415 -7.094 275 1HB SER 36 2HB SER 36 1.266 1.406 -8.702 276 2HB SER 36 3HB SER 36 2.894 2.107 -8.833 277 HG SER 36 HG SER 36 2.838 -0.639 -8.962 278 H VAL 37 H VAL 37 4.494 2.218 -6.051 279 HA VAL 37 HA VAL 37 2.558 3.985 -4.645 280 HB VAL 37 HB VAL 37 3.961 3.930 -2.734 281 1HG1 VAL 37 1HG1 VAL 37 3.901 1.717 -1.984 282 2HG1 VAL 37 2HG1 VAL 37 2.622 1.722 -3.221 283 3HG1 VAL 37 3HG1 VAL 37 4.203 1.030 -3.579 284 1HG2 VAL 37 1HG2 VAL 37 6.199 3.962 -3.772 285 2HG2 VAL 37 2HG2 VAL 37 6.068 2.618 -2.626 286 3HG2 VAL 37 3HG2 VAL 37 5.952 2.282 -4.356 287 H ALA 38 H ALA 38 2.960 6.145 -4.603 288 HA ALA 38 HA ALA 38 5.362 7.083 -6.102 289 1HB ALA 38 1HB ALA 38 4.077 8.789 -7.183 290 2HB ALA 38 2HB ALA 38 3.497 7.178 -7.679 291 3HB ALA 38 3HB ALA 38 2.552 8.146 -6.514 292 H LEU 39 H LEU 39 6.376 8.650 -5.197 293 HA LEU 39 HA LEU 39 5.771 9.316 -2.469 294 1HB LEU 39 2HB LEU 39 7.903 10.418 -2.420 295 2HB LEU 39 3HB LEU 39 8.004 8.856 -3.216 296 HG LEU 39 HG LEU 39 7.668 10.426 -5.431 297 1HD1 LEU 39 1HD1 LEU 39 9.012 12.469 -5.185 298 2HD1 LEU 39 2HD1 LEU 39 7.641 12.556 -4.071 299 3HD1 LEU 39 3HD1 LEU 39 9.252 12.143 -3.458 300 1HD2 LEU 39 1HD2 LEU 39 9.466 8.788 -5.070 301 2HD2 LEU 39 2HD2 LEU 39 10.108 10.312 -5.705 302 3HD2 LEU 39 3HD2 LEU 39 10.294 9.925 -3.983 303 H ALA 40 H ALA 40 5.474 11.036 -5.535 304 HA ALA 40 HA ALA 40 5.298 13.664 -4.730 305 1HB ALA 40 1HB ALA 40 3.690 12.287 -6.924 306 2HB ALA 40 2HB ALA 40 3.982 14.033 -6.783 307 3HB ALA 40 3HB ALA 40 5.341 12.932 -7.072 308 H THR 41 H THR 41 2.575 11.303 -4.808 309 HA THR 41 HA THR 41 0.876 13.198 -3.225 310 HB THR 41 HB THR 41 -0.900 11.509 -3.948 311 HG1 THR 41 1HG THR 41 0.847 10.974 -6.092 312 1HG2 THR 41 1HG2 THR 41 -0.759 13.763 -4.918 313 2HG2 THR 41 2HG2 THR 41 0.471 13.221 -6.075 314 3HG2 THR 41 3HG2 THR 41 -1.184 12.580 -6.167 315 H ASN 42 H ASN 42 3.184 11.289 -2.519 316 HA ASN 42 HA ASN 42 3.729 9.510 -1.319 317 1HB ASN 42 2HB ASN 42 3.083 11.781 0.204 318 2HB ASN 42 3HB ASN 42 2.422 10.496 1.158 319 1HD2 ASN 42 1HD2 ASN 42 5.403 11.111 -0.825 320 2HD2 ASN 42 2HD2 ASN 42 6.490 10.323 0.328 321 H LYS 43 H LYS 43 1.770 8.399 -2.799 322 HA LYS 43 HA LYS 43 0.266 6.895 -0.751 323 1HB LYS 43 2HB LYS 43 -1.708 6.808 -2.043 324 2HB LYS 43 3HB LYS 43 -1.324 8.464 -1.564 325 1HG LYS 43 2HG LYS 43 -0.817 9.126 -3.736 326 2HG LYS 43 3HG LYS 43 -0.591 7.476 -4.322 327 1HD LYS 43 2HD LYS 43 -2.696 8.442 -5.127 328 2HD LYS 43 3HD LYS 43 -2.928 6.976 -4.172 329 1HE LYS 43 2HE LYS 43 -3.574 8.413 -2.181 330 2HE LYS 43 3HE LYS 43 -3.356 9.850 -3.183 331 1HZ LYS 43 1HZ LYS 43 -5.674 9.242 -3.016 332 2HZ LYS 43 2HZ LYS 43 -5.204 9.014 -4.566 333 3HZ LYS 43 3HZ LYS 43 -5.442 7.747 -3.563 334 H ALA 44 H ALA 44 -0.216 4.894 -1.047 335 HA ALA 44 HA ALA 44 1.228 3.375 -3.161 336 1HB ALA 44 1HB ALA 44 1.103 1.503 -1.562 337 2HB ALA 44 2HB ALA 44 1.925 2.871 -0.800 338 3HB ALA 44 3HB ALA 44 0.231 2.520 -0.400 339 H HIS 45 H HIS 45 0.008 2.255 -4.600 340 HA HIS 45 HA HIS 45 -2.920 2.249 -4.300 341 1HB HIS 45 2HB HIS 45 -2.757 3.484 -6.191 342 2HB HIS 45 3HB HIS 45 -1.053 3.126 -6.422 343 HD1 HIS 45 1HD HIS 45 -1.251 2.725 -8.964 344 HD2 HIS 45 2HD HIS 45 -3.593 0.220 -6.527 345 HE1 HIS 45 1HE HIS 45 -2.101 0.844 -10.467 346 H ILE 46 H ILE 46 -3.381 0.340 -3.599 347 HA ILE 46 HA ILE 46 -1.590 -2.003 -4.036 348 HB ILE 46 HB ILE 46 -3.430 -1.070 -1.815 349 1HG1 ILE 46 2HG1 ILE 46 -1.627 -2.020 -0.408 350 2HG1 ILE 46 3HG1 ILE 46 -0.744 -2.515 -1.860 351 1HG2 ILE 46 1HG2 ILE 46 -2.978 -3.939 -2.611 352 2HG2 ILE 46 2HG2 ILE 46 -3.315 -3.482 -0.943 353 3HG2 ILE 46 3HG2 ILE 46 -4.495 -3.120 -2.208 354 1HD1 ILE 46 1HD1 ILE 46 -0.330 -0.237 -2.481 355 2HD1 ILE 46 2HD1 ILE 46 -1.453 0.377 -1.247 356 3HD1 ILE 46 3HD1 ILE 46 0.062 -0.417 -0.763 357 H LYS 47 H LYS 47 -2.417 -3.674 -5.244 358 HA LYS 47 HA LYS 47 -5.314 -3.601 -5.960 359 1HB LYS 47 2HB LYS 47 -2.980 -4.805 -7.470 360 2HB LYS 47 3HB LYS 47 -4.694 -4.837 -7.888 361 1HG LYS 47 2HG LYS 47 -4.510 -2.209 -7.825 362 2HG LYS 47 3HG LYS 47 -2.774 -2.417 -7.880 363 1HD LYS 47 2HD LYS 47 -2.959 -3.685 -10.024 364 2HD LYS 47 3HD LYS 47 -4.687 -3.883 -9.786 365 1HE LYS 47 2HE LYS 47 -4.804 -1.275 -9.972 366 2HE LYS 47 3HE LYS 47 -3.231 -1.453 -10.781 367 1HZ LYS 47 1HZ LYS 47 -5.130 -1.522 -12.300 368 2HZ LYS 47 2HZ LYS 47 -4.351 -2.981 -12.315 369 3HZ LYS 47 3HZ LYS 47 -5.752 -2.808 -11.491 370 H TYR 48 H TYR 48 -6.318 -5.110 -4.704 371 HA TYR 48 HA TYR 48 -4.800 -7.573 -4.016 372 1HB TYR 48 2HB TYR 48 -5.659 -7.568 -1.808 373 2HB TYR 48 3HB TYR 48 -4.972 -5.979 -2.076 374 HD1 TYR 48 HD1 TYR 48 -6.589 -4.027 -2.568 375 HD2 TYR 48 HD2 TYR 48 -7.909 -7.864 -1.124 376 HE1 TYR 48 HE1 TYR 48 -8.834 -3.094 -2.101 377 HE2 TYR 48 HE2 TYR 48 -10.068 -6.883 -0.473 378 HH TYR 48 HH TYR 48 -11.415 -5.021 -0.557 379 H ASP 49 H ASP 49 -6.051 -9.451 -3.590 380 HA ASP 49 HA ASP 49 -8.158 -9.807 -5.548 381 1HB ASP 49 2HB ASP 49 -7.144 -11.630 -3.341 382 2HB ASP 49 3HB ASP 49 -8.267 -12.098 -4.625 383 HA PRO 50 HA PRO 50 -10.684 -7.684 -2.714 384 1HB PRO 50 2HB PRO 50 -13.099 -7.499 -4.020 385 2HB PRO 50 3HB PRO 50 -11.590 -6.769 -4.621 386 1HG PRO 50 2HG PRO 50 -12.719 -9.487 -5.369 387 2HG PRO 50 3HG PRO 50 -12.274 -8.151 -6.478 388 1HD PRO 50 2HD PRO 50 -10.516 -10.137 -5.963 389 2HD PRO 50 3HD PRO 50 -9.954 -8.438 -6.014 390 H GLU 51 H GLU 51 -10.628 -10.630 -2.145 391 HA GLU 51 HA GLU 51 -13.058 -10.769 -0.420 392 1HB GLU 51 2HB GLU 51 -13.217 -13.201 -0.995 393 2HB GLU 51 3HB GLU 51 -13.651 -12.086 -2.295 394 1HG GLU 51 2HG GLU 51 -11.458 -12.448 -3.387 395 2HG GLU 51 3HG GLU 51 -10.990 -13.556 -2.079 396 H ILE 52 H ILE 52 -9.625 -11.746 -0.908 397 HA ILE 52 HA ILE 52 -9.664 -13.499 1.341 398 HB ILE 52 HB ILE 52 -8.532 -13.703 -0.870 399 1HG1 ILE 52 2HG1 ILE 52 -7.989 -15.297 0.783 400 2HG1 ILE 52 3HG1 ILE 52 -6.555 -14.846 -0.145 401 1HG2 ILE 52 1HG2 ILE 52 -6.443 -12.757 -1.349 402 2HG2 ILE 52 2HG2 ILE 52 -7.561 -11.429 -1.023 403 3HG2 ILE 52 3HG2 ILE 52 -6.359 -11.877 0.186 404 1HD1 ILE 52 1HD1 ILE 52 -7.225 -14.181 2.718 405 2HD1 ILE 52 2HD1 ILE 52 -5.796 -14.993 2.072 406 3HD1 ILE 52 3HD1 ILE 52 -5.997 -13.246 1.827 407 H ILE 53 H ILE 53 -8.492 -10.162 0.786 408 HA ILE 53 HA ILE 53 -7.672 -9.947 3.655 409 HB ILE 53 HB ILE 53 -5.791 -10.656 2.086 410 1HG1 ILE 53 2HG1 ILE 53 -5.436 -8.018 3.504 411 2HG1 ILE 53 3HG1 ILE 53 -5.520 -9.617 4.292 412 1HG2 ILE 53 1HG2 ILE 53 -6.030 -7.793 1.042 413 2HG2 ILE 53 2HG2 ILE 53 -4.788 -8.976 0.614 414 3HG2 ILE 53 3HG2 ILE 53 -6.458 -9.255 0.126 415 1HD1 ILE 53 1HD1 ILE 53 -3.571 -10.346 2.864 416 2HD1 ILE 53 2HD1 ILE 53 -3.411 -8.637 2.376 417 3HD1 ILE 53 3HD1 ILE 53 -3.202 -9.095 4.070 418 H GLY 54 H GLY 54 -7.464 -7.638 4.375 419 1HA GLY 54 2HA GLY 54 -9.379 -5.926 2.813 420 2HA GLY 54 1HA GLY 54 -9.348 -6.147 4.573 421 HA PRO 55 HA PRO 55 -6.697 -2.402 3.416 422 1HB PRO 55 2HB PRO 55 -8.090 -0.620 4.979 423 2HB PRO 55 3HB PRO 55 -8.419 -0.921 3.246 424 1HG PRO 55 2HG PRO 55 -9.845 -2.123 5.631 425 2HG PRO 55 3HG PRO 55 -10.568 -1.400 4.161 426 1HD PRO 55 2HD PRO 55 -10.294 -4.076 4.410 427 2HD PRO 55 3HD PRO 55 -9.968 -3.291 2.843 428 H ARG 56 H ARG 56 -8.280 -3.653 6.359 429 HA ARG 56 HA ARG 56 -6.653 -2.553 8.277 430 1HB ARG 56 2HB ARG 56 -8.732 -3.808 8.726 431 2HB ARG 56 3HB ARG 56 -7.942 -5.317 8.238 432 1HG ARG 56 2HG ARG 56 -8.071 -5.191 10.648 433 2HG ARG 56 3HG ARG 56 -6.381 -5.129 10.151 434 1HD ARG 56 2HD ARG 56 -6.414 -2.635 10.422 435 2HD ARG 56 3HD ARG 56 -8.085 -2.706 10.977 436 HE ARG 56 HE ARG 56 -5.574 -3.445 12.338 437 1HH1 ARG 56 2HH2 ARG 56 -9.072 -3.844 12.513 438 2HH1 ARG 56 1HH2 ARG 56 -9.085 -4.195 14.218 439 1HH2 ARG 56 2HH1 ARG 56 -5.512 -3.926 14.410 440 2HH2 ARG 56 1HH1 ARG 56 -6.938 -4.256 15.386 441 H ASP 57 H ASP 57 -6.098 -5.722 6.557 442 HA ASP 57 HA ASP 57 -3.829 -6.439 8.041 443 1HB ASP 57 2HB ASP 57 -4.283 -7.111 5.128 444 2HB ASP 57 3HB ASP 57 -3.542 -8.114 6.380 445 H ILE 58 H ILE 58 -4.127 -4.822 4.876 446 HA ILE 58 HA ILE 58 -1.408 -4.327 4.288 447 HB ILE 58 HB ILE 58 -3.849 -2.605 3.733 448 1HG1 ILE 58 2HG1 ILE 58 -2.454 -4.384 1.712 449 2HG1 ILE 58 3HG1 ILE 58 -3.680 -5.068 2.791 450 1HG2 ILE 58 1HG2 ILE 58 -1.833 -1.228 3.485 451 2HG2 ILE 58 2HG2 ILE 58 -1.068 -2.487 2.499 452 3HG2 ILE 58 3HG2 ILE 58 -2.469 -1.594 1.895 453 1HD1 ILE 58 1HD1 ILE 58 -5.312 -3.420 2.128 454 2HD1 ILE 58 2HD1 ILE 58 -4.167 -2.625 1.053 455 3HD1 ILE 58 3HD1 ILE 58 -4.716 -4.294 0.706 456 H ILE 59 H ILE 59 -3.788 -2.382 6.167 457 HA ILE 59 HA ILE 59 -2.128 -0.230 6.602 458 HB ILE 59 HB ILE 59 -4.532 -1.339 8.006 459 1HG1 ILE 59 2HG1 ILE 59 -4.048 1.364 6.690 460 2HG1 ILE 59 3HG1 ILE 59 -4.472 -0.074 5.776 461 1HG2 ILE 59 1HG2 ILE 59 -4.626 0.708 9.467 462 2HG2 ILE 59 2HG2 ILE 59 -3.435 -0.498 9.927 463 3HG2 ILE 59 3HG2 ILE 59 -2.912 0.977 9.105 464 1HD1 ILE 59 1HD1 ILE 59 -6.146 1.268 7.914 465 2HD1 ILE 59 2HD1 ILE 59 -6.456 1.138 6.172 466 3HD1 ILE 59 3HD1 ILE 59 -6.517 -0.322 7.188 467 H HIS 60 H HIS 60 -2.549 -3.107 8.724 468 HA HIS 60 HA HIS 60 -0.584 -2.145 10.647 469 1HB HIS 60 2HB HIS 60 -1.834 -4.868 10.160 470 2HB HIS 60 3HB HIS 60 -0.614 -4.571 11.405 471 HD1 HIS 60 1HD HIS 60 -2.096 -1.514 11.971 472 HD2 HIS 60 2HD HIS 60 -3.472 -5.488 12.359 473 HE1 HIS 60 1HE HIS 60 -3.894 -1.489 13.756 474 H THR 61 H THR 61 -0.412 -4.082 7.718 475 HA THR 61 HA THR 61 2.324 -4.874 7.997 476 HB THR 61 HB THR 61 0.655 -4.338 5.527 477 HG1 THR 61 1HG THR 61 -0.230 -5.912 6.796 478 1HG2 THR 61 1HG2 THR 61 3.063 -4.456 4.910 479 2HG2 THR 61 2HG2 THR 61 3.235 -5.941 5.874 480 3HG2 THR 61 3HG2 THR 61 2.224 -5.943 4.420 481 H ILE 62 H ILE 62 0.881 -1.915 6.474 482 HA ILE 62 HA ILE 62 3.421 -0.792 5.756 483 HB ILE 62 HB ILE 62 0.691 0.448 6.144 484 1HG1 ILE 62 2HG1 ILE 62 1.040 -1.233 4.234 485 2HG1 ILE 62 3HG1 ILE 62 0.385 0.350 3.827 486 1HG2 ILE 62 1HG2 ILE 62 3.279 1.681 5.133 487 2HG2 ILE 62 2HG2 ILE 62 1.684 2.374 4.798 488 3HG2 ILE 62 3HG2 ILE 62 2.242 2.242 6.454 489 1HD1 ILE 62 1HD1 ILE 62 2.089 -0.464 2.218 490 2HD1 ILE 62 2HD1 ILE 62 2.529 1.088 2.937 491 3HD1 ILE 62 3HD1 ILE 62 3.316 -0.397 3.502 492 H GLU 63 H GLU 63 1.307 -0.343 8.649 493 HA GLU 63 HA GLU 63 2.921 1.540 10.006 494 1HB GLU 63 2HB GLU 63 1.265 -0.779 11.082 495 2HB GLU 63 3HB GLU 63 2.019 0.458 12.090 496 1HG GLU 63 2HG GLU 63 0.739 2.230 11.018 497 2HG GLU 63 3HG GLU 63 0.004 1.086 9.889 498 H SER 64 H SER 64 3.176 -2.054 9.925 499 HA SER 64 HA SER 64 5.525 -2.214 11.506 500 1HB SER 64 2HB SER 64 4.747 -4.116 9.262 501 2HB SER 64 3HB SER 64 5.825 -4.426 10.625 502 HG SER 64 HG SER 64 3.039 -3.838 10.770 503 H LEU 65 H LEU 65 5.198 -1.777 7.932 504 HA LEU 65 HA LEU 65 8.049 -1.756 7.475 505 1HB LEU 65 2HB LEU 65 5.887 -0.394 5.832 506 2HB LEU 65 3HB LEU 65 7.553 -0.667 5.352 507 HG LEU 65 HG LEU 65 5.399 -2.746 5.750 508 1HD1 LEU 65 1HD1 LEU 65 5.475 -1.525 3.600 509 2HD1 LEU 65 2HD1 LEU 65 7.165 -2.022 3.381 510 3HD1 LEU 65 3HD1 LEU 65 5.883 -3.243 3.416 511 1HD2 LEU 65 1HD2 LEU 65 7.121 -4.443 5.109 512 2HD2 LEU 65 2HD2 LEU 65 8.385 -3.211 5.324 513 3HD2 LEU 65 3HD2 LEU 65 7.405 -3.764 6.709 514 H GLY 66 H GLY 66 5.836 0.733 8.577 515 1HA GLY 66 2HA GLY 66 6.729 2.236 10.185 516 2HA GLY 66 1HA GLY 66 8.238 2.378 9.282 517 H PHE 67 H PHE 67 4.827 2.674 8.059 518 HA PHE 67 HA PHE 67 5.154 5.619 7.914 519 1HB PHE 67 2HB PHE 67 3.975 4.042 5.623 520 2HB PHE 67 3HB PHE 67 4.369 5.753 5.674 521 HD1 PHE 67 1HD PHE 67 6.994 6.236 6.184 522 HD2 PHE 67 2HD PHE 67 5.447 2.584 4.495 523 HE1 PHE 67 1HE PHE 67 9.201 5.776 5.151 524 HE2 PHE 67 2HE PHE 67 7.654 2.130 3.484 525 HZ PHE 67 HZ PHE 67 9.526 3.717 3.785 526 H GLU 68 H GLU 68 2.919 6.683 7.652 527 HA GLU 68 HA GLU 68 0.877 5.114 9.101 528 1HB GLU 68 2HB GLU 68 1.048 7.998 8.239 529 2HB GLU 68 3HB GLU 68 -0.270 7.269 9.140 530 1HG GLU 68 2HG GLU 68 1.307 6.783 11.010 531 2HG GLU 68 3HG GLU 68 2.607 7.585 10.096 532 HA PRO 69 HA PRO 69 -0.830 4.656 4.837 533 1HB PRO 69 2HB PRO 69 -2.345 2.440 5.199 534 2HB PRO 69 3HB PRO 69 -0.560 2.354 5.211 535 1HG PRO 69 2HG PRO 69 -2.432 2.502 7.561 536 2HG PRO 69 3HG PRO 69 -1.059 1.386 7.312 537 1HD PRO 69 2HD PRO 69 -0.883 3.681 8.810 538 2HD PRO 69 3HD PRO 69 0.489 2.990 7.905 539 H SER 70 H SER 70 -1.871 6.712 5.248 540 HA SER 70 HA SER 70 -4.480 6.755 6.586 541 1HB SER 70 2HB SER 70 -2.503 8.583 6.161 542 2HB SER 70 3HB SER 70 -3.647 9.070 4.917 543 HG SER 70 HG SER 70 -5.256 9.118 6.633 544 H LEU 71 H LEU 71 -6.040 5.684 5.499 545 HA LEU 71 HA LEU 71 -6.275 5.429 2.614 546 1HB LEU 71 2HB LEU 71 -8.392 4.352 3.100 547 2HB LEU 71 3HB LEU 71 -7.058 3.673 4.019 548 HG LEU 71 HG LEU 71 -8.454 5.819 5.517 549 1HD1 LEU 71 1HD1 LEU 71 -10.024 3.324 4.748 550 2HD1 LEU 71 2HD1 LEU 71 -10.496 4.522 5.972 551 3HD1 LEU 71 3HD1 LEU 71 -10.408 4.991 4.267 552 1HD2 LEU 71 1HD2 LEU 71 -6.832 4.144 6.501 553 2HD2 LEU 71 2HD2 LEU 71 -8.411 4.173 7.302 554 3HD2 LEU 71 3HD2 LEU 71 -8.023 2.875 6.159 555 H VAL 72 H VAL 72 -5.999 7.979 2.547 556 HA VAL 72 HA VAL 72 -8.256 9.630 3.044 557 HB VAL 72 HB VAL 72 -5.967 9.970 1.067 558 1HG1 VAL 72 1HG1 VAL 72 -6.495 12.412 1.215 559 2HG1 VAL 72 2HG1 VAL 72 -7.751 11.490 0.391 560 3HG1 VAL 72 3HG1 VAL 72 -7.994 12.007 2.075 561 1HG2 VAL 72 1HG2 VAL 72 -6.409 11.046 3.895 562 2HG2 VAL 72 2HG2 VAL 72 -5.228 9.808 3.428 563 3HG2 VAL 72 3HG2 VAL 72 -5.043 11.463 2.841 564 H LYS 73 H LYS 73 -7.454 7.591 0.243 565 HA LYS 73 HA LYS 73 -8.555 7.213 -1.743 566 1HB LYS 73 2HB LYS 73 -10.994 7.908 -0.069 567 2HB LYS 73 3HB LYS 73 -11.022 7.179 -1.663 568 1HG LYS 73 2HG LYS 73 -9.731 5.935 0.788 569 2HG LYS 73 3HG LYS 73 -11.360 5.596 0.214 570 1HD LYS 73 2HD LYS 73 -8.784 5.032 -1.320 571 2HD LYS 73 3HD LYS 73 -9.779 3.847 -0.476 572 1HE LYS 73 2HE LYS 73 -11.699 4.317 -2.002 573 2HE LYS 73 3HE LYS 73 -10.724 5.518 -2.872 574 1HZ LYS 73 1HZ LYS 73 -10.046 2.686 -2.776 575 2HZ LYS 73 2HZ LYS 73 -10.703 3.514 -4.045 576 3HZ LYS 73 3HZ LYS 73 -9.207 3.918 -3.501 577 H ILE 74 H ILE 74 -11.175 9.185 -1.863 578 HA ILE 74 HA ILE 74 -9.742 11.688 -2.428 579 HB ILE 74 HB ILE 74 -9.629 10.687 -4.590 580 1HG1 ILE 74 2HG1 ILE 74 -11.866 12.762 -4.553 581 2HG1 ILE 74 3HG1 ILE 74 -10.137 13.104 -4.371 582 1HG2 ILE 74 1HG2 ILE 74 -12.646 10.393 -4.779 583 2HG2 ILE 74 2HG2 ILE 74 -11.402 9.829 -5.898 584 3HG2 ILE 74 3HG2 ILE 74 -11.573 9.047 -4.333 585 1HD1 ILE 74 1HD1 ILE 74 -10.783 13.538 -6.655 586 2HD1 ILE 74 2HD1 ILE 74 -9.739 12.101 -6.638 587 3HD1 ILE 74 3HD1 ILE 74 -11.502 11.931 -6.831 588 H GLU 75 H GLU 75 -12.828 10.083 -2.751 589 HA GLU 75 HA GLU 75 -13.667 11.251 -0.271 590 1HB GLU 75 2HB GLU 75 -15.547 10.354 -2.522 591 2HB GLU 75 3HB GLU 75 -16.013 10.690 -0.849 592 1HG GLU 75 2HG GLU 75 -15.307 13.061 -1.130 593 2HG GLU 75 3HG GLU 75 -14.867 12.729 -2.816 Start of MODEL 27 1 1H MET 1 H1 MET 1 -13.004 -12.464 -5.574 2 2H MET 1 H2 MET 1 -11.550 -13.232 -5.735 3 3H MET 1 H3 MET 1 -11.581 -11.646 -5.396 4 HA MET 1 HA MET 1 -11.105 -11.547 -7.600 5 1HB MET 1 2HB MET 1 -13.413 -13.515 -7.934 6 2HB MET 1 3HB MET 1 -12.599 -12.681 -9.271 7 1HG MET 1 2HG MET 1 -10.439 -13.680 -8.601 8 2HG MET 1 3HG MET 1 -11.232 -14.587 -7.311 9 1HE MET 1 1HE MET 1 -12.863 -16.580 -7.662 10 2HE MET 1 2HE MET 1 -13.949 -15.623 -8.704 11 3HE MET 1 3HE MET 1 -13.354 -17.203 -9.256 12 H GLY 2 H GLY 2 -11.877 -9.561 -8.440 13 1HA GLY 2 2HA GLY 2 -14.230 -8.364 -8.772 14 2HA GLY 2 1HA GLY 2 -14.244 -8.480 -6.999 15 H ASP 3 H ASP 3 -11.404 -8.337 -6.673 16 HA ASP 3 HA ASP 3 -9.612 -7.004 -6.581 17 1HB ASP 3 2HB ASP 3 -10.577 -6.347 -9.399 18 2HB ASP 3 3HB ASP 3 -8.941 -6.088 -8.762 19 H GLY 4 H GLY 4 -10.427 -4.462 -8.635 20 1HA GLY 4 2HA GLY 4 -11.563 -2.402 -8.211 21 2HA GLY 4 1HA GLY 4 -11.475 -2.685 -6.467 22 H VAL 5 H VAL 5 -10.187 -0.979 -5.743 23 HA VAL 5 HA VAL 5 -7.373 -1.078 -6.271 24 HB VAL 5 HB VAL 5 -7.965 0.344 -8.165 25 1HG1 VAL 5 1HG1 VAL 5 -10.208 1.119 -7.485 26 2HG1 VAL 5 2HG1 VAL 5 -9.485 2.134 -6.219 27 3HG1 VAL 5 3HG1 VAL 5 -9.166 2.474 -7.928 28 1HG2 VAL 5 1HG2 VAL 5 -6.969 2.185 -5.955 29 2HG2 VAL 5 2HG2 VAL 5 -5.961 0.993 -6.809 30 3HG2 VAL 5 3HG2 VAL 5 -6.718 2.340 -7.690 31 H LEU 6 H LEU 6 -6.258 0.010 -4.486 32 HA LEU 6 HA LEU 6 -7.947 1.884 -2.955 33 1HB LEU 6 2HB LEU 6 -6.190 -0.259 -1.727 34 2HB LEU 6 3HB LEU 6 -6.500 1.265 -0.889 35 HG LEU 6 HG LEU 6 -8.743 -0.515 -1.842 36 1HD1 LEU 6 1HD1 LEU 6 -7.311 -1.730 -0.200 37 2HD1 LEU 6 2HD1 LEU 6 -7.451 -0.360 0.923 38 3HD1 LEU 6 3HD1 LEU 6 -8.887 -1.318 0.500 39 1HD2 LEU 6 1HD2 LEU 6 -8.632 1.814 0.108 40 2HD2 LEU 6 2HD2 LEU 6 -9.512 1.753 -1.432 41 3HD2 LEU 6 3HD2 LEU 6 -10.030 0.739 -0.088 42 H GLU 7 H GLU 7 -7.043 3.777 -2.987 43 HA GLU 7 HA GLU 7 -4.112 4.066 -3.609 44 1HB GLU 7 2HB GLU 7 -6.467 5.872 -4.192 45 2HB GLU 7 3HB GLU 7 -4.779 6.391 -4.223 46 1HG GLU 7 2HG GLU 7 -4.800 4.076 -5.832 47 2HG GLU 7 3HG GLU 7 -6.315 4.887 -6.235 48 H LEU 8 H LEU 8 -3.388 3.823 -1.522 49 HA LEU 8 HA LEU 8 -4.501 5.610 0.590 50 1HB LEU 8 2HB LEU 8 -2.812 4.288 2.027 51 2HB LEU 8 3HB LEU 8 -4.369 3.587 1.649 52 HG LEU 8 HG LEU 8 -2.034 2.984 -0.153 53 1HD1 LEU 8 1HD1 LEU 8 -1.216 2.578 2.142 54 2HD1 LEU 8 2HD1 LEU 8 -2.612 1.503 2.430 55 3HD1 LEU 8 3HD1 LEU 8 -1.403 1.086 1.203 56 1HD2 LEU 8 1HD2 LEU 8 -4.525 1.446 0.800 57 2HD2 LEU 8 2HD2 LEU 8 -4.247 2.057 -0.840 58 3HD2 LEU 8 3HD2 LEU 8 -3.275 0.729 -0.211 59 H VAL 9 H VAL 9 -3.405 7.307 1.256 60 HA VAL 9 HA VAL 9 -0.919 8.134 -0.106 61 HB VAL 9 HB VAL 9 -2.670 9.607 1.874 62 1HG1 VAL 9 1HG1 VAL 9 -0.287 10.360 1.928 63 2HG1 VAL 9 2HG1 VAL 9 -0.324 10.554 0.161 64 3HG1 VAL 9 3HG1 VAL 9 -1.341 11.577 1.192 65 1HG2 VAL 9 1HG2 VAL 9 -3.759 9.226 -0.347 66 2HG2 VAL 9 2HG2 VAL 9 -3.321 10.929 -0.127 67 3HG2 VAL 9 3HG2 VAL 9 -2.323 9.884 -1.152 68 H VAL 10 H VAL 10 0.932 7.396 0.766 69 HA VAL 10 HA VAL 10 0.882 6.095 3.423 70 HB VAL 10 HB VAL 10 3.024 5.091 2.473 71 1HG1 VAL 10 1HG1 VAL 10 1.736 3.312 1.355 72 2HG1 VAL 10 2HG1 VAL 10 0.900 3.865 2.818 73 3HG1 VAL 10 3HG1 VAL 10 0.330 4.391 1.226 74 1HG2 VAL 10 1HG2 VAL 10 1.709 5.762 -0.186 75 2HG2 VAL 10 2HG2 VAL 10 3.134 6.621 0.423 76 3HG2 VAL 10 3HG2 VAL 10 3.205 4.883 0.076 77 H ARG 11 H ARG 11 1.202 7.854 4.803 78 HA ARG 11 HA ARG 11 3.066 9.964 4.030 79 1HB ARG 11 2HB ARG 11 1.976 9.468 6.806 80 2HB ARG 11 3HB ARG 11 2.656 10.946 6.167 81 1HG ARG 11 2HG ARG 11 0.737 11.248 4.654 82 2HG ARG 11 3HG ARG 11 0.056 9.689 5.151 83 1HD ARG 11 2HD ARG 11 -1.048 11.562 6.335 84 2HD ARG 11 3HD ARG 11 -0.242 10.431 7.423 85 HE ARG 11 HE ARG 11 1.309 12.785 6.560 86 1HH1 ARG 11 2HH2 ARG 11 -0.227 11.197 9.349 87 2HH1 ARG 11 1HH2 ARG 11 -0.116 12.565 10.367 88 1HH2 ARG 11 2HH1 ARG 11 1.909 14.366 8.087 89 2HH2 ARG 11 1HH1 ARG 11 1.356 14.259 9.726 90 H GLY 12 H GLY 12 5.167 10.240 4.684 91 1HA GLY 12 2HA GLY 12 6.906 9.947 6.333 92 2HA GLY 12 1HA GLY 12 6.428 8.265 6.553 93 H MET 13 H MET 13 6.057 7.609 3.712 94 HA MET 13 HA MET 13 8.793 6.945 3.221 95 1HB MET 13 2HB MET 13 7.936 5.848 1.186 96 2HB MET 13 3HB MET 13 7.064 5.380 2.633 97 1HG MET 13 2HG MET 13 5.137 6.079 1.821 98 2HG MET 13 3HG MET 13 5.737 7.641 1.302 99 1HE MET 13 1HE MET 13 7.085 6.778 -2.292 100 2HE MET 13 2HE MET 13 7.118 7.958 -0.952 101 3HE MET 13 3HE MET 13 8.109 6.481 -0.881 102 H THR 14 H THR 14 10.332 8.074 2.113 103 HA THR 14 HA THR 14 9.515 10.070 0.086 104 HB THR 14 HB THR 14 9.208 11.167 2.282 105 HG1 THR 14 1HG THR 14 11.320 12.055 0.642 106 1HG2 THR 14 1HG2 THR 14 12.211 10.764 2.661 107 2HG2 THR 14 2HG2 THR 14 11.128 11.725 3.682 108 3HG2 THR 14 3HG2 THR 14 10.932 9.968 3.603 109 H CYS 15 H CYS 15 11.415 7.549 0.277 110 HA CYS 15 HA CYS 15 13.111 8.701 -1.690 111 1HB CYS 15 2HB CYS 15 15.261 8.423 -0.791 112 2HB CYS 15 3HB CYS 15 14.387 9.281 0.466 113 H ALA 16 H ALA 16 14.620 6.939 -2.525 114 HA ALA 16 HA ALA 16 13.203 4.818 -3.527 115 1HB ALA 16 1HB ALA 16 15.384 3.824 -4.104 116 2HB ALA 16 2HB ALA 16 15.366 5.573 -4.403 117 3HB ALA 16 3HB ALA 16 16.196 4.925 -2.969 118 H SER 17 H SER 17 15.237 4.777 -0.543 119 HA SER 17 HA SER 17 14.990 2.055 0.042 120 1HB SER 17 2HB SER 17 15.168 4.353 2.020 121 2HB SER 17 3HB SER 17 15.653 2.667 2.280 122 HG SER 17 HG SER 17 17.145 2.965 0.506 123 H CYS 18 H CYS 18 12.749 4.771 0.743 124 HA CYS 18 HA CYS 18 11.015 3.119 2.410 125 1HB CYS 18 2HB CYS 18 10.484 5.796 1.079 126 2HB CYS 18 3HB CYS 18 9.538 4.989 2.323 127 H VAL 19 H VAL 19 11.097 4.344 -0.931 128 HA VAL 19 HA VAL 19 8.563 3.468 -1.822 129 HB VAL 19 HB VAL 19 11.212 3.619 -3.332 130 1HG1 VAL 19 1HG1 VAL 19 9.614 2.197 -4.589 131 2HG1 VAL 19 2HG1 VAL 19 8.385 3.474 -4.442 132 3HG1 VAL 19 3HG1 VAL 19 9.860 3.756 -5.381 133 1HG2 VAL 19 1HG2 VAL 19 10.348 5.770 -2.320 134 2HG2 VAL 19 2HG2 VAL 19 10.456 5.777 -4.087 135 3HG2 VAL 19 3HG2 VAL 19 8.881 5.565 -3.286 136 H HIS 20 H HIS 20 11.761 1.737 -2.103 137 HA HIS 20 HA HIS 20 10.397 -0.523 -3.058 138 1HB HIS 20 2HB HIS 20 12.454 -1.563 -3.293 139 2HB HIS 20 3HB HIS 20 12.525 0.110 -3.823 140 HD1 HIS 20 1HD HIS 20 15.180 -0.201 -3.758 141 HD2 HIS 20 2HD HIS 20 13.191 -0.491 -0.077 142 HE1 HIS 20 1HE HIS 20 16.983 -0.189 -1.946 143 H LYS 21 H LYS 21 11.094 0.401 0.247 144 HA LYS 21 HA LYS 21 10.697 -2.182 1.450 145 1HB LYS 21 2HB LYS 21 10.214 0.667 2.392 146 2HB LYS 21 3HB LYS 21 9.658 -0.719 3.344 147 1HG LYS 21 2HG LYS 21 11.879 -1.606 3.568 148 2HG LYS 21 3HG LYS 21 12.512 -0.476 2.379 149 1HD LYS 21 2HD LYS 21 13.202 0.207 4.552 150 2HD LYS 21 3HD LYS 21 12.131 1.434 3.899 151 1HE LYS 21 2HE LYS 21 11.069 -0.753 5.764 152 2HE LYS 21 3HE LYS 21 11.957 0.622 6.426 153 1HZ LYS 21 1HZ LYS 21 10.359 2.108 5.521 154 2HZ LYS 21 2HZ LYS 21 9.509 0.887 4.826 155 3HZ LYS 21 3HZ LYS 21 9.600 1.022 6.462 156 H ILE 22 H ILE 22 8.406 0.443 0.497 157 HA ILE 22 HA ILE 22 6.070 -1.132 1.078 158 HB ILE 22 HB ILE 22 6.506 1.255 -0.717 159 1HG1 ILE 22 2HG1 ILE 22 4.693 0.983 1.663 160 2HG1 ILE 22 3HG1 ILE 22 6.439 1.235 1.909 161 1HG2 ILE 22 1HG2 ILE 22 3.938 1.299 -0.826 162 2HG2 ILE 22 2HG2 ILE 22 4.656 -0.016 -1.761 163 3HG2 ILE 22 3HG2 ILE 22 3.946 -0.340 -0.171 164 1HD1 ILE 22 1HD1 ILE 22 5.278 3.369 2.032 165 2HD1 ILE 22 2HD1 ILE 22 6.325 3.321 0.601 166 3HD1 ILE 22 3HD1 ILE 22 4.558 3.105 0.444 167 H GLU 23 H GLU 23 7.713 -0.490 -2.081 168 HA GLU 23 HA GLU 23 5.926 -1.992 -3.522 169 1HB GLU 23 2HB GLU 23 7.101 -1.455 -5.310 170 2HB GLU 23 3HB GLU 23 8.017 -0.448 -4.194 171 1HG GLU 23 2HG GLU 23 9.742 -2.331 -4.083 172 2HG GLU 23 3HG GLU 23 8.795 -3.163 -5.327 173 H SER 24 H SER 24 9.060 -3.159 -2.303 174 HA SER 24 HA SER 24 8.763 -5.816 -3.254 175 1HB SER 24 2HB SER 24 10.909 -4.765 -2.513 176 2HB SER 24 3HB SER 24 10.343 -4.820 -0.835 177 HG SER 24 HG SER 24 10.726 -7.048 -2.564 178 H SER 25 H SER 25 7.971 -4.324 -0.036 179 HA SER 25 HA SER 25 7.378 -6.980 0.950 180 1HB SER 25 2HB SER 25 8.283 -5.072 2.341 181 2HB SER 25 3HB SER 25 6.615 -4.479 2.416 182 HG SER 25 HG SER 25 7.117 -5.930 4.150 183 H LEU 26 H LEU 26 5.363 -4.323 -0.302 184 HA LEU 26 HA LEU 26 2.869 -5.652 0.427 185 1HB LEU 26 2HB LEU 26 3.564 -3.294 -1.331 186 2HB LEU 26 3HB LEU 26 1.967 -4.002 -1.358 187 HG LEU 26 HG LEU 26 2.240 -2.037 0.144 188 1HD1 LEU 26 1HD1 LEU 26 0.315 -3.482 0.396 189 2HD1 LEU 26 2HD1 LEU 26 1.215 -4.577 1.466 190 3HD1 LEU 26 3HD1 LEU 26 0.866 -2.928 1.979 191 1HD2 LEU 26 1HD2 LEU 26 3.618 -3.983 2.055 192 2HD2 LEU 26 2HD2 LEU 26 4.435 -2.666 1.192 193 3HD2 LEU 26 3HD2 LEU 26 3.182 -2.307 2.377 194 H THR 27 H THR 27 4.636 -5.172 -2.720 195 HA THR 27 HA THR 27 2.981 -7.154 -4.003 196 HB THR 27 HB THR 27 5.502 -5.874 -5.089 197 HG1 THR 27 1HG THR 27 2.855 -4.960 -4.737 198 1HG2 THR 27 1HG2 THR 27 2.994 -7.031 -6.399 199 2HG2 THR 27 2HG2 THR 27 4.301 -6.169 -7.239 200 3HG2 THR 27 3HG2 THR 27 4.627 -7.724 -6.459 201 H LYS 28 H LYS 28 3.453 -8.618 -2.254 202 HA LYS 28 HA LYS 28 4.690 -10.879 -3.252 203 1HB LYS 28 2HB LYS 28 6.446 -11.452 -1.699 204 2HB LYS 28 3HB LYS 28 6.835 -9.989 -2.582 205 1HG LYS 28 2HG LYS 28 7.496 -9.278 -0.599 206 2HG LYS 28 3HG LYS 28 5.810 -8.800 -0.441 207 1HD LYS 28 2HD LYS 28 5.397 -10.873 0.953 208 2HD LYS 28 3HD LYS 28 7.030 -11.421 0.572 209 1HE LYS 28 2HE LYS 28 7.248 -10.563 2.758 210 2HE LYS 28 3HE LYS 28 7.941 -9.331 1.703 211 1HZ LYS 28 1HZ LYS 28 5.539 -8.390 1.849 212 2HZ LYS 28 2HZ LYS 28 5.457 -9.246 3.240 213 3HZ LYS 28 3HZ LYS 28 6.594 -8.057 3.029 214 H HIS 29 H HIS 29 3.171 -9.196 -0.433 215 HA HIS 29 HA HIS 29 2.465 -11.679 0.825 216 1HB HIS 29 2HB HIS 29 1.047 -10.520 2.219 217 2HB HIS 29 3HB HIS 29 2.427 -9.458 1.960 218 HD1 HIS 29 1HD HIS 29 -1.184 -9.819 0.498 219 HD2 HIS 29 2HD HIS 29 1.630 -7.014 1.880 220 HE1 HIS 29 1HE HIS 29 -2.324 -7.534 0.452 221 H ARG 30 H ARG 30 0.854 -13.087 0.351 222 HA ARG 30 HA ARG 30 -0.479 -13.148 -2.121 223 1HB ARG 30 2HB ARG 30 -0.181 -15.066 -0.561 224 2HB ARG 30 3HB ARG 30 -1.365 -14.343 0.545 225 1HG ARG 30 2HG ARG 30 -3.116 -14.533 -1.209 226 2HG ARG 30 3HG ARG 30 -1.933 -15.228 -2.326 227 1HD ARG 30 2HD ARG 30 -2.764 -16.387 0.379 228 2HD ARG 30 3HD ARG 30 -3.436 -16.920 -1.147 229 HE ARG 30 HE ARG 30 -0.865 -17.601 0.034 230 1HH1 ARG 30 2HH2 ARG 30 -2.566 -17.330 -3.036 231 2HH1 ARG 30 1HH2 ARG 30 -1.603 -18.506 -3.876 232 1HH2 ARG 30 2HH1 ARG 30 0.464 -19.159 -1.042 233 2HH2 ARG 30 1HH1 ARG 30 0.179 -19.557 -2.703 234 H GLY 31 H GLY 31 -2.569 -12.458 -2.784 235 1HA GLY 31 2HA GLY 31 -4.744 -11.607 -2.373 236 2HA GLY 31 1HA GLY 31 -4.211 -10.892 -0.853 237 H ILE 32 H ILE 32 -1.714 -9.672 -1.982 238 HA ILE 32 HA ILE 32 -2.943 -7.489 -3.543 239 HB ILE 32 HB ILE 32 -0.578 -7.674 -1.869 240 1HG1 ILE 32 2HG1 ILE 32 -1.906 -5.376 -3.393 241 2HG1 ILE 32 3HG1 ILE 32 -2.437 -6.003 -1.814 242 1HG2 ILE 32 1HG2 ILE 32 0.965 -6.378 -3.260 243 2HG2 ILE 32 2HG2 ILE 32 0.726 -7.992 -3.919 244 3HG2 ILE 32 3HG2 ILE 32 -0.079 -6.585 -4.663 245 1HD1 ILE 32 1HD1 ILE 32 0.019 -5.481 -1.063 246 2HD1 ILE 32 2HD1 ILE 32 0.032 -4.436 -2.507 247 3HD1 ILE 32 3HD1 ILE 32 -1.166 -4.172 -1.224 248 H LEU 33 H LEU 33 -2.771 -7.373 -5.683 249 HA LEU 33 HA LEU 33 -1.305 -9.546 -7.112 250 1HB LEU 33 2HB LEU 33 -2.720 -9.272 -8.937 251 2HB LEU 33 3HB LEU 33 -3.714 -9.386 -7.499 252 HG LEU 33 HG LEU 33 -3.450 -6.644 -7.731 253 1HD1 LEU 33 1HD1 LEU 33 -3.664 -7.755 -10.555 254 2HD1 LEU 33 2HD1 LEU 33 -3.841 -6.056 -10.079 255 3HD1 LEU 33 3HD1 LEU 33 -2.271 -6.861 -9.908 256 1HD2 LEU 33 1HD2 LEU 33 -5.530 -7.856 -7.292 257 2HD2 LEU 33 2HD2 LEU 33 -5.758 -6.688 -8.603 258 3HD2 LEU 33 3HD2 LEU 33 -5.578 -8.414 -8.977 259 H TYR 34 H TYR 34 -1.528 -5.958 -6.616 260 HA TYR 34 HA TYR 34 1.226 -5.826 -7.475 261 1HB TYR 34 2HB TYR 34 0.152 -5.689 -9.676 262 2HB TYR 34 3HB TYR 34 -0.962 -4.464 -9.097 263 HD1 TYR 34 HD1 TYR 34 -0.524 -2.329 -9.927 264 HD2 TYR 34 HD2 TYR 34 2.777 -5.022 -9.243 265 HE1 TYR 34 HE1 TYR 34 1.057 -0.604 -10.723 266 HE2 TYR 34 HE2 TYR 34 4.360 -3.252 -9.935 267 HH TYR 34 HH TYR 34 4.591 -1.014 -10.457 268 H CYS 35 H CYS 35 2.122 -3.627 -6.928 269 HA CYS 35 HA CYS 35 0.145 -1.784 -5.960 270 1HB CYS 35 2HB CYS 35 1.108 -1.028 -4.010 271 2HB CYS 35 3HB CYS 35 1.354 -2.758 -3.800 272 HG CYS 35 HG CYS 35 3.796 -2.678 -4.910 273 H SER 36 H SER 36 0.686 0.339 -6.463 274 HA SER 36 HA SER 36 3.305 0.833 -7.821 275 1HB SER 36 2HB SER 36 0.746 1.023 -9.046 276 2HB SER 36 3HB SER 36 1.210 2.684 -8.688 277 HG SER 36 HG SER 36 2.845 0.798 -10.058 278 H VAL 37 H VAL 37 4.107 1.345 -5.693 279 HA VAL 37 HA VAL 37 3.101 3.753 -4.414 280 HB VAL 37 HB VAL 37 3.828 1.899 -3.104 281 1HG1 VAL 37 1HG1 VAL 37 5.461 0.767 -4.452 282 2HG1 VAL 37 2HG1 VAL 37 6.511 2.198 -4.492 283 3HG1 VAL 37 3HG1 VAL 37 6.263 1.312 -2.985 284 1HG2 VAL 37 1HG2 VAL 37 5.374 3.046 -1.645 285 2HG2 VAL 37 2HG2 VAL 37 5.766 4.227 -2.902 286 3HG2 VAL 37 3HG2 VAL 37 4.111 4.148 -2.227 287 H ALA 38 H ALA 38 3.804 5.777 -4.576 288 HA ALA 38 HA ALA 38 6.413 6.291 -5.874 289 1HB ALA 38 1HB ALA 38 5.448 8.031 -7.301 290 2HB ALA 38 2HB ALA 38 4.774 6.437 -7.719 291 3HB ALA 38 3HB ALA 38 3.808 7.594 -6.767 292 H LEU 39 H LEU 39 7.431 8.044 -5.063 293 HA LEU 39 HA LEU 39 6.334 9.242 -2.642 294 1HB LEU 39 2HB LEU 39 8.444 10.231 -2.264 295 2HB LEU 39 3HB LEU 39 8.633 8.542 -2.701 296 HG LEU 39 HG LEU 39 9.191 9.407 -5.101 297 1HD1 LEU 39 1HD1 LEU 39 9.726 11.898 -3.397 298 2HD1 LEU 39 2HD1 LEU 39 10.369 11.623 -5.027 299 3HD1 LEU 39 3HD1 LEU 39 8.635 11.821 -4.793 300 1HD2 LEU 39 1HD2 LEU 39 10.754 8.292 -3.540 301 2HD2 LEU 39 2HD2 LEU 39 11.561 9.626 -4.380 302 3HD2 LEU 39 3HD2 LEU 39 11.021 9.831 -2.699 303 H ALA 40 H ALA 40 6.470 10.087 -5.976 304 HA ALA 40 HA ALA 40 6.460 12.779 -6.156 305 1HB ALA 40 1HB ALA 40 4.929 12.531 -8.075 306 2HB ALA 40 2HB ALA 40 6.154 11.247 -8.055 307 3HB ALA 40 3HB ALA 40 4.491 10.899 -7.526 308 H THR 41 H THR 41 3.721 10.876 -4.890 309 HA THR 41 HA THR 41 2.808 13.310 -3.511 310 HB THR 41 HB THR 41 1.624 13.198 -5.629 311 HG1 THR 41 1HG THR 41 -0.378 13.647 -4.731 312 1HG2 THR 41 1HG2 THR 41 1.405 10.691 -5.816 313 2HG2 THR 41 2HG2 THR 41 0.160 10.771 -4.546 314 3HG2 THR 41 3HG2 THR 41 -0.108 11.575 -6.100 315 H ASN 42 H ASN 42 4.286 11.054 -2.862 316 HA ASN 42 HA ASN 42 4.517 9.302 -1.335 317 1HB ASN 42 2HB ASN 42 2.825 11.213 0.307 318 2HB ASN 42 3HB ASN 42 3.978 10.023 0.923 319 1HD2 ASN 42 1HD2 ASN 42 6.368 10.454 0.589 320 2HD2 ASN 42 2HD2 ASN 42 6.836 12.093 0.197 321 H LYS 43 H LYS 43 2.899 8.140 -2.954 322 HA LYS 43 HA LYS 43 0.503 7.239 -1.426 323 1HB LYS 43 2HB LYS 43 -0.143 9.198 -2.686 324 2HB LYS 43 3HB LYS 43 0.514 8.498 -4.173 325 1HG LYS 43 2HG LYS 43 -1.557 6.871 -2.730 326 2HG LYS 43 3HG LYS 43 -2.121 8.406 -3.358 327 1HD LYS 43 2HD LYS 43 -0.676 6.310 -5.046 328 2HD LYS 43 3HD LYS 43 -2.430 6.501 -4.917 329 1HE LYS 43 2HE LYS 43 -1.773 9.069 -5.573 330 2HE LYS 43 3HE LYS 43 -0.396 8.240 -6.303 331 1HZ LYS 43 1HZ LYS 43 -2.320 6.790 -7.353 332 2HZ LYS 43 2HZ LYS 43 -3.278 7.938 -6.876 333 3HZ LYS 43 3HZ LYS 43 -2.085 8.326 -7.949 334 H ALA 44 H ALA 44 -0.127 5.232 -1.748 335 HA ALA 44 HA ALA 44 1.216 3.580 -3.804 336 1HB ALA 44 1HB ALA 44 1.248 1.773 -2.275 337 2HB ALA 44 2HB ALA 44 1.993 3.153 -1.462 338 3HB ALA 44 3HB ALA 44 0.327 2.693 -1.052 339 H HIS 45 H HIS 45 -0.069 3.042 -5.408 340 HA HIS 45 HA HIS 45 -2.925 2.743 -5.144 341 1HB HIS 45 2HB HIS 45 -1.636 3.806 -7.026 342 2HB HIS 45 3HB HIS 45 -0.792 2.286 -7.305 343 HD1 HIS 45 1HD HIS 45 -3.695 4.157 -8.337 344 HD2 HIS 45 2HD HIS 45 -2.696 0.111 -7.789 345 HE1 HIS 45 1HE HIS 45 -5.274 2.831 -9.784 346 H ILE 46 H ILE 46 -3.184 0.913 -3.754 347 HA ILE 46 HA ILE 46 -1.634 -1.566 -4.275 348 HB ILE 46 HB ILE 46 -3.478 -0.580 -2.102 349 1HG1 ILE 46 2HG1 ILE 46 -1.665 -1.529 -0.680 350 2HG1 ILE 46 3HG1 ILE 46 -0.804 -2.073 -2.123 351 1HG2 ILE 46 1HG2 ILE 46 -2.952 -3.476 -2.796 352 2HG2 ILE 46 2HG2 ILE 46 -3.420 -2.939 -1.177 353 3HG2 ILE 46 3HG2 ILE 46 -4.515 -2.671 -2.532 354 1HD1 ILE 46 1HD1 ILE 46 -1.419 0.839 -1.497 355 2HD1 ILE 46 2HD1 ILE 46 0.098 0.004 -1.109 356 3HD1 ILE 46 3HD1 ILE 46 -0.388 0.217 -2.799 357 H LYS 47 H LYS 47 -2.419 -3.241 -5.454 358 HA LYS 47 HA LYS 47 -5.265 -3.186 -6.345 359 1HB LYS 47 2HB LYS 47 -2.742 -4.203 -7.716 360 2HB LYS 47 3HB LYS 47 -4.384 -4.443 -8.309 361 1HG LYS 47 2HG LYS 47 -3.961 -1.614 -7.718 362 2HG LYS 47 3HG LYS 47 -2.630 -2.182 -8.713 363 1HD LYS 47 2HD LYS 47 -4.356 -1.396 -10.193 364 2HD LYS 47 3HD LYS 47 -4.409 -3.172 -10.291 365 1HE LYS 47 2HE LYS 47 -6.252 -3.154 -8.544 366 2HE LYS 47 3HE LYS 47 -6.161 -1.389 -8.504 367 1HZ LYS 47 1HZ LYS 47 -7.935 -2.195 -9.754 368 2HZ LYS 47 2HZ LYS 47 -6.921 -1.361 -10.766 369 3HZ LYS 47 3HZ LYS 47 -6.975 -3.022 -10.812 370 H TYR 48 H TYR 48 -6.342 -4.798 -5.306 371 HA TYR 48 HA TYR 48 -4.928 -7.130 -4.284 372 1HB TYR 48 2HB TYR 48 -5.505 -6.667 -2.008 373 2HB TYR 48 3HB TYR 48 -4.664 -5.247 -2.594 374 HD1 TYR 48 HD1 TYR 48 -6.482 -3.393 -3.730 375 HD2 TYR 48 HD2 TYR 48 -7.291 -6.214 -0.564 376 HE1 TYR 48 HE1 TYR 48 -8.663 -2.341 -3.342 377 HE2 TYR 48 HE2 TYR 48 -9.381 -5.009 -0.044 378 HH TYR 48 HH TYR 48 -10.547 -2.268 -2.020 379 H ASP 49 H ASP 49 -6.386 -8.755 -3.570 380 HA ASP 49 HA ASP 49 -9.021 -8.508 -4.913 381 1HB ASP 49 2HB ASP 49 -7.447 -10.308 -5.606 382 2HB ASP 49 3HB ASP 49 -7.660 -11.050 -4.000 383 HA PRO 50 HA PRO 50 -10.335 -8.377 -0.540 384 1HB PRO 50 2HB PRO 50 -12.753 -7.172 -0.783 385 2HB PRO 50 3HB PRO 50 -11.226 -6.308 -1.088 386 1HG PRO 50 2HG PRO 50 -13.003 -7.631 -3.158 387 2HG PRO 50 3HG PRO 50 -12.402 -5.944 -3.159 388 1HD PRO 50 2HD PRO 50 -11.137 -7.928 -4.514 389 2HD PRO 50 3HD PRO 50 -10.203 -6.639 -3.690 390 H GLU 51 H GLU 51 -10.270 -10.870 -1.399 391 HA GLU 51 HA GLU 51 -12.842 -11.914 -0.288 392 1HB GLU 51 2HB GLU 51 -12.204 -14.140 -1.262 393 2HB GLU 51 3HB GLU 51 -12.865 -12.935 -2.364 394 1HG GLU 51 2HG GLU 51 -10.718 -12.516 -3.357 395 2HG GLU 51 3HG GLU 51 -9.877 -13.511 -2.173 396 H ILE 52 H ILE 52 -9.314 -12.560 -0.531 397 HA ILE 52 HA ILE 52 -9.466 -13.881 2.104 398 HB ILE 52 HB ILE 52 -7.322 -14.774 1.665 399 1HG1 ILE 52 2HG1 ILE 52 -6.661 -14.434 -0.984 400 2HG1 ILE 52 3HG1 ILE 52 -7.163 -12.798 -0.558 401 1HG2 ILE 52 1HG2 ILE 52 -9.133 -15.157 -0.743 402 2HG2 ILE 52 2HG2 ILE 52 -7.916 -16.286 -0.127 403 3HG2 ILE 52 3HG2 ILE 52 -9.348 -15.916 0.846 404 1HD1 ILE 52 1HD1 ILE 52 -4.767 -13.102 -0.138 405 2HD1 ILE 52 2HD1 ILE 52 -5.573 -12.927 1.430 406 3HD1 ILE 52 3HD1 ILE 52 -5.077 -14.531 0.859 407 H ILE 53 H ILE 53 -8.020 -11.049 0.612 408 HA ILE 53 HA ILE 53 -6.658 -10.305 3.164 409 HB ILE 53 HB ILE 53 -5.304 -10.583 1.094 410 1HG1 ILE 53 2HG1 ILE 53 -4.388 -8.065 1.174 411 2HG1 ILE 53 3HG1 ILE 53 -5.369 -8.020 2.628 412 1HG2 ILE 53 1HG2 ILE 53 -5.404 -8.787 -0.654 413 2HG2 ILE 53 2HG2 ILE 53 -6.738 -9.935 -0.660 414 3HG2 ILE 53 3HG2 ILE 53 -6.964 -8.302 0.000 415 1HD1 ILE 53 1HD1 ILE 53 -4.158 -10.027 3.482 416 2HD1 ILE 53 2HD1 ILE 53 -3.259 -10.135 1.955 417 3HD1 ILE 53 3HD1 ILE 53 -2.994 -8.759 3.020 418 H GLY 54 H GLY 54 -7.116 -8.178 4.077 419 1HA GLY 54 2HA GLY 54 -9.448 -6.727 2.869 420 2HA GLY 54 1HA GLY 54 -9.133 -6.948 4.601 421 HA PRO 55 HA PRO 55 -7.076 -2.948 3.101 422 1HB PRO 55 2HB PRO 55 -8.415 -1.262 4.809 423 2HB PRO 55 3HB PRO 55 -8.962 -1.665 3.160 424 1HG PRO 55 2HG PRO 55 -9.884 -2.908 5.759 425 2HG PRO 55 3HG PRO 55 -10.885 -2.324 4.401 426 1HD PRO 55 2HD PRO 55 -10.283 -4.950 4.670 427 2HD PRO 55 3HD PRO 55 -10.307 -4.196 3.052 428 H ARG 56 H ARG 56 -8.124 -4.223 6.274 429 HA ARG 56 HA ARG 56 -6.238 -3.013 7.936 430 1HB ARG 56 2HB ARG 56 -7.679 -5.686 8.051 431 2HB ARG 56 3HB ARG 56 -6.418 -5.290 9.217 432 1HG ARG 56 2HG ARG 56 -7.617 -3.104 9.693 433 2HG ARG 56 3HG ARG 56 -8.993 -3.747 8.775 434 1HD ARG 56 2HD ARG 56 -9.140 -5.666 10.300 435 2HD ARG 56 3HD ARG 56 -7.673 -5.188 11.147 436 HE ARG 56 HE ARG 56 -10.358 -4.123 11.470 437 1HH1 ARG 56 2HH2 ARG 56 -6.880 -3.299 11.908 438 2HH1 ARG 56 1HH2 ARG 56 -7.201 -2.234 13.228 439 1HH2 ARG 56 2HH1 ARG 56 -10.725 -2.628 13.173 440 2HH2 ARG 56 1HH1 ARG 56 -9.402 -1.796 13.918 441 H ASP 57 H ASP 57 -5.793 -6.157 6.125 442 HA ASP 57 HA ASP 57 -3.344 -6.790 7.236 443 1HB ASP 57 2HB ASP 57 -4.124 -7.222 4.335 444 2HB ASP 57 3HB ASP 57 -3.050 -8.225 5.330 445 H ILE 58 H ILE 58 -3.944 -5.047 4.192 446 HA ILE 58 HA ILE 58 -1.334 -4.294 3.443 447 HB ILE 58 HB ILE 58 -3.981 -2.808 3.207 448 1HG1 ILE 58 2HG1 ILE 58 -2.654 -4.244 0.918 449 2HG1 ILE 58 3HG1 ILE 58 -3.600 -5.187 2.076 450 1HG2 ILE 58 1HG2 ILE 58 -2.204 -1.187 2.860 451 2HG2 ILE 58 2HG2 ILE 58 -1.375 -2.289 1.740 452 3HG2 ILE 58 3HG2 ILE 58 -2.931 -1.565 1.312 453 1HD1 ILE 58 1HD1 ILE 58 -4.978 -4.346 0.165 454 2HD1 ILE 58 2HD1 ILE 58 -5.549 -3.853 1.773 455 3HD1 ILE 58 3HD1 ILE 58 -4.712 -2.681 0.759 456 H ILE 59 H ILE 59 -3.759 -2.497 5.413 457 HA ILE 59 HA ILE 59 -2.125 -0.306 5.827 458 HB ILE 59 HB ILE 59 -4.566 -1.425 7.152 459 1HG1 ILE 59 2HG1 ILE 59 -4.029 1.249 5.796 460 2HG1 ILE 59 3HG1 ILE 59 -4.459 -0.223 4.923 461 1HG2 ILE 59 1HG2 ILE 59 -4.775 0.587 8.616 462 2HG2 ILE 59 2HG2 ILE 59 -3.511 -0.524 9.112 463 3HG2 ILE 59 3HG2 ILE 59 -3.079 0.972 8.279 464 1HD1 ILE 59 1HD1 ILE 59 -6.430 1.024 5.234 465 2HD1 ILE 59 2HD1 ILE 59 -6.516 -0.399 6.308 466 3HD1 ILE 59 3HD1 ILE 59 -6.149 1.221 6.974 467 H HIS 60 H HIS 60 -2.574 -3.134 7.967 468 HA HIS 60 HA HIS 60 -0.844 -2.114 10.024 469 1HB HIS 60 2HB HIS 60 -1.886 -4.917 9.506 470 2HB HIS 60 3HB HIS 60 -1.050 -4.385 10.976 471 HD1 HIS 60 1HD HIS 60 -2.528 -1.580 11.402 472 HD2 HIS 60 2HD HIS 60 -4.361 -5.246 10.409 473 HE1 HIS 60 1HE HIS 60 -4.987 -1.356 12.008 474 H THR 61 H THR 61 -0.373 -4.086 7.140 475 HA THR 61 HA THR 61 2.372 -4.788 7.651 476 HB THR 61 HB THR 61 0.877 -4.293 5.052 477 HG1 THR 61 1HG THR 61 0.077 -5.996 6.194 478 1HG2 THR 61 1HG2 THR 61 3.318 -4.125 4.631 479 2HG2 THR 61 2HG2 THR 61 3.579 -5.632 5.539 480 3HG2 THR 61 3HG2 THR 61 2.677 -5.655 4.009 481 H ILE 62 H ILE 62 0.901 -1.892 6.021 482 HA ILE 62 HA ILE 62 3.470 -0.686 5.583 483 HB ILE 62 HB ILE 62 0.663 0.433 5.479 484 1HG1 ILE 62 2HG1 ILE 62 2.659 -0.258 3.266 485 2HG1 ILE 62 3HG1 ILE 62 1.450 -1.410 3.847 486 1HG2 ILE 62 1HG2 ILE 62 1.716 2.329 4.213 487 2HG2 ILE 62 2HG2 ILE 62 2.247 2.284 5.882 488 3HG2 ILE 62 3HG2 ILE 62 3.314 1.667 4.597 489 1HD1 ILE 62 1HD1 ILE 62 -0.345 0.207 3.262 490 2HD1 ILE 62 2HD1 ILE 62 0.883 1.231 2.477 491 3HD1 ILE 62 3HD1 ILE 62 0.584 -0.403 1.876 492 H GLU 63 H GLU 63 1.091 -0.318 8.232 493 HA GLU 63 HA GLU 63 2.453 1.646 9.755 494 1HB GLU 63 2HB GLU 63 0.849 -0.786 10.616 495 2HB GLU 63 3HB GLU 63 1.384 0.476 11.720 496 1HG GLU 63 2HG GLU 63 0.081 2.169 10.625 497 2HG GLU 63 3HG GLU 63 -0.325 1.113 9.277 498 H SER 64 H SER 64 2.861 -1.952 9.706 499 HA SER 64 HA SER 64 5.086 -2.008 11.460 500 1HB SER 64 2HB SER 64 4.527 -3.952 9.185 501 2HB SER 64 3HB SER 64 5.551 -4.212 10.600 502 HG SER 64 HG SER 64 2.740 -3.755 10.596 503 H LEU 65 H LEU 65 4.997 -1.506 7.897 504 HA LEU 65 HA LEU 65 7.867 -1.358 7.610 505 1HB LEU 65 2HB LEU 65 5.698 -0.023 5.949 506 2HB LEU 65 3HB LEU 65 7.398 -0.091 5.526 507 HG LEU 65 HG LEU 65 5.580 -2.516 5.768 508 1HD1 LEU 65 1HD1 LEU 65 5.787 -2.571 3.331 509 2HD1 LEU 65 2HD1 LEU 65 5.125 -1.011 3.833 510 3HD1 LEU 65 3HD1 LEU 65 6.832 -1.135 3.363 511 1HD2 LEU 65 1HD2 LEU 65 8.509 -2.271 4.953 512 2HD2 LEU 65 2HD2 LEU 65 7.858 -3.188 6.332 513 3HD2 LEU 65 3HD2 LEU 65 7.499 -3.704 4.685 514 H GLY 66 H GLY 66 5.630 0.843 9.088 515 1HA GLY 66 2HA GLY 66 6.302 2.527 10.504 516 2HA GLY 66 1HA GLY 66 7.866 2.657 9.695 517 H PHE 67 H PHE 67 4.657 2.694 8.055 518 HA PHE 67 HA PHE 67 4.903 5.637 7.607 519 1HB PHE 67 2HB PHE 67 4.170 3.607 5.480 520 2HB PHE 67 3HB PHE 67 4.375 5.335 5.252 521 HD1 PHE 67 1HD PHE 67 5.808 2.470 4.224 522 HD2 PHE 67 2HD PHE 67 6.930 5.981 6.463 523 HE1 PHE 67 1HE PHE 67 8.130 2.287 3.379 524 HE2 PHE 67 2HE PHE 67 9.283 5.671 5.773 525 HZ PHE 67 HZ PHE 67 9.900 3.821 4.275 526 H GLU 68 H GLU 68 2.773 6.633 7.081 527 HA GLU 68 HA GLU 68 0.607 5.218 8.481 528 1HB GLU 68 2HB GLU 68 0.533 8.029 7.406 529 2HB GLU 68 3HB GLU 68 -0.382 7.288 8.685 530 1HG GLU 68 2HG GLU 68 1.539 7.328 10.180 531 2HG GLU 68 3HG GLU 68 2.609 7.874 8.872 532 HA PRO 69 HA PRO 69 -0.914 4.642 4.132 533 1HB PRO 69 2HB PRO 69 -2.468 2.468 4.464 534 2HB PRO 69 3HB PRO 69 -0.684 2.351 4.534 535 1HG PRO 69 2HG PRO 69 -2.617 2.580 6.842 536 2HG PRO 69 3HG PRO 69 -1.287 1.403 6.639 537 1HD PRO 69 2HD PRO 69 -1.018 3.675 8.119 538 2HD PRO 69 3HD PRO 69 0.327 2.964 7.182 539 H SER 70 H SER 70 -1.919 6.753 4.533 540 HA SER 70 HA SER 70 -4.472 6.876 5.927 541 1HB SER 70 2HB SER 70 -2.771 8.708 5.892 542 2HB SER 70 3HB SER 70 -3.140 8.960 4.175 543 HG SER 70 HG SER 70 -4.901 9.233 6.393 544 H LEU 71 H LEU 71 -6.302 6.184 5.025 545 HA LEU 71 HA LEU 71 -6.685 5.744 2.172 546 1HB LEU 71 2HB LEU 71 -8.629 5.697 4.509 547 2HB LEU 71 3HB LEU 71 -8.990 5.128 2.874 548 HG LEU 71 HG LEU 71 -6.796 3.900 4.602 549 1HD1 LEU 71 1HD1 LEU 71 -9.711 3.079 4.216 550 2HD1 LEU 71 2HD1 LEU 71 -8.478 2.104 5.034 551 3HD1 LEU 71 3HD1 LEU 71 -8.970 3.659 5.724 552 1HD2 LEU 71 1HD2 LEU 71 -8.290 2.914 2.128 553 2HD2 LEU 71 2HD2 LEU 71 -6.613 3.487 2.138 554 3HD2 LEU 71 3HD2 LEU 71 -7.045 2.013 3.015 555 H VAL 72 H VAL 72 -5.992 8.207 1.954 556 HA VAL 72 HA VAL 72 -7.966 10.212 2.442 557 HB VAL 72 HB VAL 72 -5.779 10.108 0.331 558 1HG1 VAL 72 1HG1 VAL 72 -7.415 12.463 1.368 559 2HG1 VAL 72 2HG1 VAL 72 -5.972 12.595 0.342 560 3HG1 VAL 72 3HG1 VAL 72 -7.429 11.821 -0.288 561 1HG2 VAL 72 1HG2 VAL 72 -4.918 9.950 2.661 562 2HG2 VAL 72 2HG2 VAL 72 -4.542 11.533 1.971 563 3HG2 VAL 72 3HG2 VAL 72 -5.881 11.365 3.120 564 H LYS 73 H LYS 73 -7.424 8.045 -0.363 565 HA LYS 73 HA LYS 73 -9.831 9.053 -1.748 566 1HB LYS 73 2HB LYS 73 -8.010 6.682 -2.302 567 2HB LYS 73 3HB LYS 73 -9.349 7.202 -3.325 568 1HG LYS 73 2HG LYS 73 -6.850 8.847 -2.702 569 2HG LYS 73 3HG LYS 73 -7.204 7.984 -4.202 570 1HD LYS 73 2HD LYS 73 -9.326 9.376 -4.407 571 2HD LYS 73 3HD LYS 73 -8.690 10.393 -3.093 572 1HE LYS 73 2HE LYS 73 -6.656 10.868 -4.429 573 2HE LYS 73 3HE LYS 73 -7.257 9.831 -5.737 574 1HZ LYS 73 1HZ LYS 73 -9.117 11.323 -5.990 575 2HZ LYS 73 2HZ LYS 73 -8.566 12.294 -4.780 576 3HZ LYS 73 3HZ LYS 73 -7.699 12.135 -6.170 577 H ILE 74 H ILE 74 -10.869 8.755 0.441 578 HA ILE 74 HA ILE 74 -12.115 6.118 0.779 579 HB ILE 74 HB ILE 74 -11.681 7.660 2.693 580 1HG1 ILE 74 2HG1 ILE 74 -13.772 7.472 3.863 581 2HG1 ILE 74 3HG1 ILE 74 -14.665 7.155 2.383 582 1HG2 ILE 74 1HG2 ILE 74 -12.138 9.830 1.581 583 2HG2 ILE 74 2HG2 ILE 74 -13.862 9.419 1.498 584 3HG2 ILE 74 3HG2 ILE 74 -13.071 9.633 3.067 585 1HD1 ILE 74 1HD1 ILE 74 -14.161 5.118 3.750 586 2HD1 ILE 74 2HD1 ILE 74 -13.501 4.995 2.118 587 3HD1 ILE 74 3HD1 ILE 74 -12.426 5.388 3.482 588 H GLU 75 H GLU 75 -14.618 6.117 0.583 589 HA GLU 75 HA GLU 75 -15.428 7.206 -2.027 590 1HB GLU 75 2HB GLU 75 -17.526 5.924 -1.506 591 2HB GLU 75 3HB GLU 75 -16.069 4.955 -1.748 592 1HG GLU 75 2HG GLU 75 -15.840 4.625 0.699 593 2HG GLU 75 3HG GLU 75 -17.270 5.644 0.963 Start of MODEL 28 1 1H MET 1 H1 MET 1 -15.609 -9.987 -12.248 2 2H MET 1 H2 MET 1 -15.910 -8.594 -13.129 3 3H MET 1 H3 MET 1 -14.466 -9.413 -13.268 4 HA MET 1 HA MET 1 -13.941 -7.671 -11.884 5 1HB MET 1 2HB MET 1 -16.357 -7.095 -11.413 6 2HB MET 1 3HB MET 1 -16.416 -8.440 -10.260 7 1HG MET 1 2HG MET 1 -14.604 -7.329 -8.933 8 2HG MET 1 3HG MET 1 -14.593 -6.001 -10.104 9 1HE MET 1 1HE MET 1 -14.779 -4.317 -8.126 10 2HE MET 1 2HE MET 1 -16.045 -4.391 -6.875 11 3HE MET 1 3HE MET 1 -14.805 -5.666 -6.965 12 H GLY 2 H GLY 2 -12.566 -8.090 -10.058 13 1HA GLY 2 2HA GLY 2 -12.627 -10.162 -8.182 14 2HA GLY 2 1HA GLY 2 -11.818 -10.838 -9.620 15 H ASP 3 H ASP 3 -11.957 -7.676 -7.922 16 HA ASP 3 HA ASP 3 -9.074 -7.293 -7.843 17 1HB ASP 3 2HB ASP 3 -9.183 -5.476 -9.523 18 2HB ASP 3 3HB ASP 3 -9.582 -7.032 -10.258 19 H GLY 4 H GLY 4 -8.602 -5.616 -6.507 20 1HA GLY 4 2HA GLY 4 -10.662 -3.629 -5.661 21 2HA GLY 4 1HA GLY 4 -9.767 -4.611 -4.480 22 H VAL 5 H VAL 5 -9.532 -2.080 -6.907 23 HA VAL 5 HA VAL 5 -6.699 -1.508 -6.311 24 HB VAL 5 HB VAL 5 -7.328 -1.187 -8.577 25 1HG1 VAL 5 1HG1 VAL 5 -9.509 0.740 -7.663 26 2HG1 VAL 5 2HG1 VAL 5 -8.980 0.478 -9.332 27 3HG1 VAL 5 3HG1 VAL 5 -9.755 -0.836 -8.448 28 1HG2 VAL 5 1HG2 VAL 5 -6.606 1.086 -8.940 29 2HG2 VAL 5 2HG2 VAL 5 -7.134 1.584 -7.323 30 3HG2 VAL 5 3HG2 VAL 5 -5.763 0.477 -7.506 31 H LEU 6 H LEU 6 -6.031 -0.048 -4.716 32 HA LEU 6 HA LEU 6 -7.966 1.951 -3.783 33 1HB LEU 6 2HB LEU 6 -8.338 0.041 -2.307 34 2HB LEU 6 3HB LEU 6 -6.588 -0.156 -2.085 35 HG LEU 6 HG LEU 6 -6.488 2.040 -0.992 36 1HD1 LEU 6 1HD1 LEU 6 -8.517 3.145 -1.914 37 2HD1 LEU 6 2HD1 LEU 6 -9.542 1.942 -1.104 38 3HD1 LEU 6 3HD1 LEU 6 -8.584 3.096 -0.153 39 1HD2 LEU 6 1HD2 LEU 6 -7.505 1.300 1.143 40 2HD2 LEU 6 2HD2 LEU 6 -8.451 0.078 0.265 41 3HD2 LEU 6 3HD2 LEU 6 -6.679 -0.040 0.324 42 H GLU 7 H GLU 7 -6.961 3.790 -3.216 43 HA GLU 7 HA GLU 7 -3.988 3.943 -3.370 44 1HB GLU 7 2HB GLU 7 -6.071 6.085 -3.947 45 2HB GLU 7 3HB GLU 7 -4.328 6.333 -3.786 46 1HG GLU 7 2HG GLU 7 -4.174 4.459 -5.652 47 2HG GLU 7 3HG GLU 7 -5.836 4.960 -6.003 48 H LEU 8 H LEU 8 -2.986 4.360 -1.517 49 HA LEU 8 HA LEU 8 -4.371 5.878 0.631 50 1HB LEU 8 2HB LEU 8 -3.011 4.370 2.221 51 2HB LEU 8 3HB LEU 8 -4.554 3.790 1.622 52 HG LEU 8 HG LEU 8 -2.072 3.066 0.073 53 1HD1 LEU 8 1HD1 LEU 8 -1.408 2.582 2.338 54 2HD1 LEU 8 2HD1 LEU 8 -2.936 1.712 2.651 55 3HD1 LEU 8 3HD1 LEU 8 -1.760 1.078 1.476 56 1HD2 LEU 8 1HD2 LEU 8 -4.198 2.259 -0.870 57 2HD2 LEU 8 2HD2 LEU 8 -3.406 0.874 -0.133 58 3HD2 LEU 8 3HD2 LEU 8 -4.724 1.671 0.724 59 H VAL 9 H VAL 9 -3.193 7.485 1.387 60 HA VAL 9 HA VAL 9 -0.508 7.955 0.310 61 HB VAL 9 HB VAL 9 -1.575 9.854 -0.025 62 1HG1 VAL 9 1HG1 VAL 9 -3.026 11.062 1.464 63 2HG1 VAL 9 2HG1 VAL 9 -3.674 9.473 1.064 64 3HG1 VAL 9 3HG1 VAL 9 -2.924 9.744 2.664 65 1HG2 VAL 9 1HG2 VAL 9 0.529 10.236 1.224 66 2HG2 VAL 9 2HG2 VAL 9 -0.646 11.537 1.438 67 3HG2 VAL 9 3HG2 VAL 9 -0.399 10.353 2.736 68 H VAL 10 H VAL 10 1.167 7.335 1.259 69 HA VAL 10 HA VAL 10 1.063 6.102 3.953 70 HB VAL 10 HB VAL 10 3.089 4.903 2.953 71 1HG1 VAL 10 1HG1 VAL 10 0.343 4.456 1.694 72 2HG1 VAL 10 2HG1 VAL 10 1.652 3.259 1.807 73 3HG1 VAL 10 3HG1 VAL 10 0.879 3.881 3.279 74 1HG2 VAL 10 1HG2 VAL 10 1.864 5.689 0.270 75 2HG2 VAL 10 2HG2 VAL 10 3.315 6.461 0.927 76 3HG2 VAL 10 3HG2 VAL 10 3.315 4.732 0.576 77 H ARG 11 H ARG 11 1.424 8.054 5.122 78 HA ARG 11 HA ARG 11 3.434 9.852 4.017 79 1HB ARG 11 2HB ARG 11 2.908 11.405 5.684 80 2HB ARG 11 3HB ARG 11 1.422 10.670 5.107 81 1HG ARG 11 2HG ARG 11 1.038 10.816 7.364 82 2HG ARG 11 3HG ARG 11 1.559 9.142 7.184 83 1HD ARG 11 2HD ARG 11 3.810 9.762 8.054 84 2HD ARG 11 3HD ARG 11 3.362 11.485 7.958 85 HE ARG 11 HE ARG 11 1.723 9.766 9.751 86 1HH1 ARG 11 2HH2 ARG 11 4.639 11.758 9.586 87 2HH1 ARG 11 1HH2 ARG 11 4.691 12.030 11.304 88 1HH2 ARG 11 2HH1 ARG 11 1.886 9.942 11.870 89 2HH2 ARG 11 1HH1 ARG 11 3.055 10.936 12.697 90 H GLY 12 H GLY 12 5.478 10.217 4.677 91 1HA GLY 12 2HA GLY 12 7.301 9.812 6.313 92 2HA GLY 12 1HA GLY 12 6.764 8.139 6.415 93 H MET 13 H MET 13 6.105 8.060 3.399 94 HA MET 13 HA MET 13 8.618 7.171 2.447 95 1HB MET 13 2HB MET 13 6.238 8.233 0.853 96 2HB MET 13 3HB MET 13 7.687 7.474 0.182 97 1HG MET 13 2HG MET 13 7.017 5.484 1.821 98 2HG MET 13 3HG MET 13 5.426 6.191 1.630 99 1HE MET 13 1HE MET 13 5.281 6.094 -2.437 100 2HE MET 13 2HE MET 13 4.396 6.649 -1.012 101 3HE MET 13 3HE MET 13 5.938 7.407 -1.457 102 H THR 14 H THR 14 10.417 8.285 1.851 103 HA THR 14 HA THR 14 10.137 11.043 0.764 104 HB THR 14 HB THR 14 10.514 11.174 3.186 105 HG1 THR 14 1HG THR 14 12.513 12.012 1.389 106 1HG2 THR 14 1HG2 THR 14 13.167 9.762 2.640 107 2HG2 THR 14 2HG2 THR 14 12.660 10.514 4.163 108 3HG2 THR 14 3HG2 THR 14 11.800 9.090 3.557 109 H CYS 15 H CYS 15 11.556 7.945 0.187 110 HA CYS 15 HA CYS 15 13.045 9.062 -2.002 111 1HB CYS 15 2HB CYS 15 15.253 8.083 -1.232 112 2HB CYS 15 3HB CYS 15 14.747 9.557 -0.426 113 H ALA 16 H ALA 16 14.213 7.276 -3.152 114 HA ALA 16 HA ALA 16 12.502 5.319 -4.018 115 1HB ALA 16 1HB ALA 16 14.472 4.253 -5.038 116 2HB ALA 16 2HB ALA 16 14.529 6.018 -5.210 117 3HB ALA 16 3HB ALA 16 15.544 5.210 -3.992 118 H SER 17 H SER 17 14.896 5.026 -1.379 119 HA SER 17 HA SER 17 14.832 2.380 -0.693 120 1HB SER 17 2HB SER 17 14.654 4.744 1.202 121 2HB SER 17 3HB SER 17 15.369 3.152 1.525 122 HG SER 17 HG SER 17 16.856 3.603 -0.199 123 H CYS 18 H CYS 18 12.365 4.876 0.091 124 HA CYS 18 HA CYS 18 10.744 3.094 1.685 125 1HB CYS 18 2HB CYS 18 10.064 5.753 0.378 126 2HB CYS 18 3HB CYS 18 9.171 4.930 1.648 127 H VAL 19 H VAL 19 10.744 4.298 -1.667 128 HA VAL 19 HA VAL 19 8.195 3.464 -2.435 129 HB VAL 19 HB VAL 19 10.741 3.637 -4.119 130 1HG1 VAL 19 1HG1 VAL 19 9.365 3.930 -6.059 131 2HG1 VAL 19 2HG1 VAL 19 8.938 2.393 -5.304 132 3HG1 VAL 19 3HG1 VAL 19 7.883 3.807 -5.111 133 1HG2 VAL 19 1HG2 VAL 19 9.922 5.894 -4.704 134 2HG2 VAL 19 2HG2 VAL 19 8.596 5.707 -3.530 135 3HG2 VAL 19 3HG2 VAL 19 10.285 5.743 -2.982 136 H HIS 20 H HIS 20 11.361 1.854 -2.975 137 HA HIS 20 HA HIS 20 10.066 -0.521 -3.875 138 1HB HIS 20 2HB HIS 20 12.269 -1.413 -4.109 139 2HB HIS 20 3HB HIS 20 12.028 0.165 -4.860 140 HD1 HIS 20 1HD HIS 20 14.461 0.926 -4.990 141 HD2 HIS 20 2HD HIS 20 13.300 -0.492 -1.212 142 HE1 HIS 20 1HE HIS 20 16.496 1.154 -3.465 143 H LYS 21 H LYS 21 11.144 0.512 -0.630 144 HA LYS 21 HA LYS 21 10.904 -2.023 0.649 145 1HB LYS 21 2HB LYS 21 10.449 0.821 1.526 146 2HB LYS 21 3HB LYS 21 9.787 -0.477 2.513 147 1HG LYS 21 2HG LYS 21 11.942 -1.449 2.902 148 2HG LYS 21 3HG LYS 21 12.692 -0.420 1.679 149 1HD LYS 21 2HD LYS 21 13.154 0.341 4.033 150 2HD LYS 21 3HD LYS 21 12.471 1.547 2.954 151 1HE LYS 21 2HE LYS 21 11.462 1.765 5.153 152 2HE LYS 21 3HE LYS 21 10.255 1.322 3.953 153 1HZ LYS 21 1HZ LYS 21 10.388 -0.946 4.759 154 2HZ LYS 21 2HZ LYS 21 11.476 -0.500 5.916 155 3HZ LYS 21 3HZ LYS 21 9.942 0.086 5.954 156 H ILE 22 H ILE 22 8.293 0.472 0.029 157 HA ILE 22 HA ILE 22 6.288 -1.285 1.047 158 HB ILE 22 HB ILE 22 5.830 0.907 -0.999 159 1HG1 ILE 22 2HG1 ILE 22 6.133 0.899 2.014 160 2HG1 ILE 22 3HG1 ILE 22 6.917 1.924 0.790 161 1HG2 ILE 22 1HG2 ILE 22 3.505 0.835 -0.033 162 2HG2 ILE 22 2HG2 ILE 22 3.956 -0.687 -0.768 163 3HG2 ILE 22 3HG2 ILE 22 4.004 -0.512 1.001 164 1HD1 ILE 22 1HD1 ILE 22 4.670 2.907 0.271 165 2HD1 ILE 22 2HD1 ILE 22 4.065 2.134 1.762 166 3HD1 ILE 22 3HD1 ILE 22 5.365 3.335 1.846 167 H GLU 23 H GLU 23 7.154 -0.567 -2.389 168 HA GLU 23 HA GLU 23 5.274 -2.314 -3.499 169 1HB GLU 23 2HB GLU 23 8.023 -1.508 -4.539 170 2HB GLU 23 3HB GLU 23 6.797 -2.342 -5.508 171 1HG GLU 23 2HG GLU 23 5.207 -0.517 -5.182 172 2HG GLU 23 3HG GLU 23 6.332 0.315 -4.099 173 H SER 24 H SER 24 8.756 -3.060 -2.927 174 HA SER 24 HA SER 24 8.608 -5.750 -3.739 175 1HB SER 24 2HB SER 24 10.688 -4.399 -3.408 176 2HB SER 24 3HB SER 24 10.495 -4.593 -1.649 177 HG SER 24 HG SER 24 11.875 -6.176 -2.649 178 H SER 25 H SER 25 8.290 -4.315 -0.402 179 HA SER 25 HA SER 25 8.179 -6.953 0.769 180 1HB SER 25 2HB SER 25 8.999 -4.803 1.852 181 2HB SER 25 3HB SER 25 7.291 -4.386 2.092 182 HG SER 25 HG SER 25 8.315 -5.561 3.867 183 H LEU 26 H LEU 26 5.673 -4.689 -0.404 184 HA LEU 26 HA LEU 26 3.551 -6.313 0.742 185 1HB LEU 26 2HB LEU 26 3.488 -4.285 -1.512 186 2HB LEU 26 3HB LEU 26 2.099 -5.148 -0.850 187 HG LEU 26 HG LEU 26 3.819 -3.200 0.698 188 1HD1 LEU 26 1HD1 LEU 26 2.278 -2.246 -1.068 189 2HD1 LEU 26 2HD1 LEU 26 0.919 -2.995 -0.212 190 3HD1 LEU 26 3HD1 LEU 26 1.879 -1.738 0.585 191 1HD2 LEU 26 1HD2 LEU 26 2.939 -4.877 2.260 192 2HD2 LEU 26 2HD2 LEU 26 2.084 -3.347 2.448 193 3HD2 LEU 26 3HD2 LEU 26 1.306 -4.673 1.572 194 H THR 27 H THR 27 5.136 -6.185 -2.514 195 HA THR 27 HA THR 27 3.392 -8.142 -3.665 196 HB THR 27 HB THR 27 5.217 -8.273 -5.410 197 HG1 THR 27 1HG THR 27 6.814 -7.541 -3.669 198 1HG2 THR 27 1HG2 THR 27 4.886 -5.952 -6.208 199 2HG2 THR 27 2HG2 THR 27 3.368 -6.681 -5.646 200 3HG2 THR 27 3HG2 THR 27 4.215 -5.496 -4.632 201 H LYS 28 H LYS 28 3.350 -9.606 -1.994 202 HA LYS 28 HA LYS 28 4.562 -12.085 -2.385 203 1HB LYS 28 2HB LYS 28 5.977 -12.376 -0.407 204 2HB LYS 28 3HB LYS 28 6.658 -11.206 -1.513 205 1HG LYS 28 2HG LYS 28 6.937 -9.899 0.287 206 2HG LYS 28 3HG LYS 28 5.223 -9.537 0.141 207 1HD LYS 28 2HD LYS 28 4.763 -11.517 1.698 208 2HD LYS 28 3HD LYS 28 6.521 -11.685 1.878 209 1HE LYS 28 2HE LYS 28 6.612 -9.298 2.711 210 2HE LYS 28 3HE LYS 28 4.843 -9.230 2.606 211 1HZ LYS 28 1HZ LYS 28 4.733 -10.978 4.234 212 2HZ LYS 28 2HZ LYS 28 6.378 -11.047 4.334 213 3HZ LYS 28 3HZ LYS 28 5.579 -9.690 4.808 214 H HIS 29 H HIS 29 2.990 -9.762 -0.088 215 HA HIS 29 HA HIS 29 1.740 -11.908 1.382 216 1HB HIS 29 2HB HIS 29 0.718 -10.377 2.651 217 2HB HIS 29 3HB HIS 29 2.127 -9.454 2.139 218 HD1 HIS 29 1HD HIS 29 -1.654 -9.774 1.331 219 HD2 HIS 29 2HD HIS 29 1.565 -7.063 1.327 220 HE1 HIS 29 1HE HIS 29 -2.642 -7.444 0.918 221 H ARG 30 H ARG 30 0.335 -13.287 0.459 222 HA ARG 30 HA ARG 30 -1.245 -12.638 -1.837 223 1HB ARG 30 2HB ARG 30 -1.503 -14.743 0.335 224 2HB ARG 30 3HB ARG 30 -2.735 -14.590 -0.920 225 1HG ARG 30 2HG ARG 30 0.173 -14.804 -1.756 226 2HG ARG 30 3HG ARG 30 -0.685 -16.245 -1.214 227 1HD ARG 30 2HD ARG 30 -0.770 -16.015 -3.662 228 2HD ARG 30 3HD ARG 30 -2.355 -16.055 -2.904 229 HE ARG 30 HE ARG 30 -0.940 -13.574 -3.884 230 1HH1 ARG 30 2HH2 ARG 30 -4.002 -15.406 -3.785 231 2HH1 ARG 30 1HH2 ARG 30 -4.993 -14.002 -3.900 232 1HH2 ARG 30 2HH1 ARG 30 -2.287 -11.703 -4.325 233 2HH2 ARG 30 1HH1 ARG 30 -3.956 -12.003 -4.672 234 H GLY 31 H GLY 31 -3.565 -12.265 -1.882 235 1HA GLY 31 2HA GLY 31 -5.299 -10.789 -1.015 236 2HA GLY 31 1HA GLY 31 -4.095 -10.064 0.069 237 H ILE 32 H ILE 32 -1.789 -9.536 -1.368 238 HA ILE 32 HA ILE 32 -2.890 -7.525 -3.140 239 HB ILE 32 HB ILE 32 -0.628 -7.595 -1.501 240 1HG1 ILE 32 2HG1 ILE 32 -1.428 -5.759 -3.799 241 2HG1 ILE 32 3HG1 ILE 32 -2.040 -5.747 -2.126 242 1HG2 ILE 32 1HG2 ILE 32 0.588 -8.894 -3.296 243 2HG2 ILE 32 2HG2 ILE 32 0.346 -7.483 -4.368 244 3HG2 ILE 32 3HG2 ILE 32 1.297 -7.343 -2.880 245 1HD1 ILE 32 1HD1 ILE 32 0.013 -5.003 -1.264 246 2HD1 ILE 32 2HD1 ILE 32 0.880 -5.239 -2.816 247 3HD1 ILE 32 3HD1 ILE 32 -0.334 -3.984 -2.672 248 H LEU 33 H LEU 33 -2.537 -7.401 -5.318 249 HA LEU 33 HA LEU 33 -1.167 -9.711 -6.622 250 1HB LEU 33 2HB LEU 33 -2.752 -9.906 -8.248 251 2HB LEU 33 3HB LEU 33 -3.666 -9.681 -6.786 252 HG LEU 33 HG LEU 33 -3.525 -7.069 -7.610 253 1HD1 LEU 33 1HD1 LEU 33 -3.689 -8.736 -10.152 254 2HD1 LEU 33 2HD1 LEU 33 -3.958 -6.987 -10.023 255 3HD1 LEU 33 3HD1 LEU 33 -2.346 -7.661 -9.721 256 1HD2 LEU 33 1HD2 LEU 33 -5.516 -8.321 -6.909 257 2HD2 LEU 33 2HD2 LEU 33 -5.832 -7.379 -8.378 258 3HD2 LEU 33 3HD2 LEU 33 -5.573 -9.137 -8.482 259 H TYR 34 H TYR 34 -1.497 -6.130 -6.393 260 HA TYR 34 HA TYR 34 1.132 -6.000 -7.627 261 1HB TYR 34 2HB TYR 34 0.008 -5.875 -9.669 262 2HB TYR 34 3HB TYR 34 -1.384 -5.079 -8.979 263 HD1 TYR 34 HD1 TYR 34 -1.032 -2.604 -8.098 264 HD2 TYR 34 HD2 TYR 34 1.520 -4.573 -10.965 265 HE1 TYR 34 HE1 TYR 34 -0.358 -0.415 -8.993 266 HE2 TYR 34 HE2 TYR 34 2.135 -2.365 -11.909 267 HH TYR 34 HH TYR 34 1.135 0.676 -10.412 268 H CYS 35 H CYS 35 2.094 -3.865 -7.248 269 HA CYS 35 HA CYS 35 0.519 -1.932 -5.741 270 1HB CYS 35 2HB CYS 35 1.763 -3.204 -3.930 271 2HB CYS 35 3HB CYS 35 3.278 -2.835 -4.775 272 HG CYS 35 HG CYS 35 0.942 -0.775 -3.693 273 H SER 36 H SER 36 1.278 0.198 -6.218 274 HA SER 36 HA SER 36 4.024 0.459 -7.128 275 1HB SER 36 2HB SER 36 3.385 2.156 -8.890 276 2HB SER 36 3HB SER 36 3.093 0.465 -9.316 277 HG SER 36 HG SER 36 1.055 1.944 -8.043 278 H VAL 37 H VAL 37 4.885 2.283 -6.029 279 HA VAL 37 HA VAL 37 2.896 4.203 -4.873 280 HB VAL 37 HB VAL 37 4.006 4.143 -2.783 281 1HG1 VAL 37 1HG1 VAL 37 2.690 1.966 -3.375 282 2HG1 VAL 37 2HG1 VAL 37 4.282 1.231 -3.556 283 3HG1 VAL 37 3HG1 VAL 37 3.821 1.940 -2.008 284 1HG2 VAL 37 1HG2 VAL 37 6.326 4.189 -3.468 285 2HG2 VAL 37 2HG2 VAL 37 6.057 2.798 -2.390 286 3HG2 VAL 37 3HG2 VAL 37 6.195 2.540 -4.136 287 H ALA 38 H ALA 38 3.662 6.323 -4.470 288 HA ALA 38 HA ALA 38 6.013 7.153 -6.096 289 1HB ALA 38 1HB ALA 38 3.217 8.301 -6.444 290 2HB ALA 38 2HB ALA 38 4.708 8.864 -7.226 291 3HB ALA 38 3HB ALA 38 4.060 7.251 -7.614 292 H LEU 39 H LEU 39 7.035 8.863 -5.344 293 HA LEU 39 HA LEU 39 6.567 9.809 -2.658 294 1HB LEU 39 2HB LEU 39 8.442 10.851 -4.819 295 2HB LEU 39 3HB LEU 39 8.516 11.255 -3.101 296 HG LEU 39 HG LEU 39 8.955 8.467 -4.277 297 1HD1 LEU 39 1HD1 LEU 39 10.938 10.449 -3.087 298 2HD1 LEU 39 2HD1 LEU 39 11.297 8.823 -3.711 299 3HD1 LEU 39 3HD1 LEU 39 10.751 10.091 -4.819 300 1HD2 LEU 39 1HD2 LEU 39 8.082 8.252 -2.019 301 2HD2 LEU 39 2HD2 LEU 39 9.821 7.963 -1.964 302 3HD2 LEU 39 3HD2 LEU 39 9.172 9.523 -1.419 303 H ALA 40 H ALA 40 5.910 11.062 -5.880 304 HA ALA 40 HA ALA 40 5.635 13.705 -5.678 305 1HB ALA 40 1HB ALA 40 3.613 11.860 -7.017 306 2HB ALA 40 2HB ALA 40 3.862 13.579 -7.387 307 3HB ALA 40 3HB ALA 40 5.156 12.411 -7.708 308 H THR 41 H THR 41 3.153 11.468 -4.426 309 HA THR 41 HA THR 41 2.299 13.571 -2.548 310 HB THR 41 HB THR 41 0.809 13.915 -4.302 311 HG1 THR 41 1HG THR 41 -0.277 12.541 -2.089 312 1HG2 THR 41 1HG2 THR 41 -0.080 11.051 -4.105 313 2HG2 THR 41 2HG2 THR 41 -0.784 12.310 -5.141 314 3HG2 THR 41 3HG2 THR 41 0.864 11.727 -5.458 315 H ASN 42 H ASN 42 3.962 11.487 -2.382 316 HA ASN 42 HA ASN 42 4.505 9.541 -1.238 317 1HB ASN 42 2HB ASN 42 2.773 10.830 0.892 318 2HB ASN 42 3HB ASN 42 4.210 9.833 1.134 319 1HD2 ASN 42 1HD2 ASN 42 6.378 10.934 0.950 320 2HD2 ASN 42 2HD2 ASN 42 6.403 12.656 0.701 321 H LYS 43 H LYS 43 2.652 8.667 -2.950 322 HA LYS 43 HA LYS 43 0.356 7.539 -1.436 323 1HB LYS 43 2HB LYS 43 -0.863 7.516 -3.469 324 2HB LYS 43 3HB LYS 43 -0.357 9.138 -3.044 325 1HG LYS 43 2HG LYS 43 1.153 9.273 -4.869 326 2HG LYS 43 3HG LYS 43 1.348 7.529 -4.973 327 1HD LYS 43 2HD LYS 43 0.027 8.393 -6.863 328 2HD LYS 43 3HD LYS 43 -0.797 7.163 -5.898 329 1HE LYS 43 2HE LYS 43 -2.073 9.002 -4.711 330 2HE LYS 43 3HE LYS 43 -1.365 10.174 -5.787 331 1HZ LYS 43 1HZ LYS 43 -2.668 9.445 -7.520 332 2HZ LYS 43 2HZ LYS 43 -2.641 7.869 -7.017 333 3HZ LYS 43 3HZ LYS 43 -3.639 8.834 -6.304 334 H ALA 44 H ALA 44 -0.289 5.457 -1.692 335 HA ALA 44 HA ALA 44 1.414 3.680 -3.337 336 1HB ALA 44 1HB ALA 44 0.235 3.087 -0.584 337 2HB ALA 44 2HB ALA 44 1.196 1.977 -1.588 338 3HB ALA 44 3HB ALA 44 1.948 3.421 -0.912 339 H HIS 45 H HIS 45 0.280 2.768 -4.931 340 HA HIS 45 HA HIS 45 -2.661 2.676 -4.832 341 1HB HIS 45 2HB HIS 45 -1.961 3.969 -6.641 342 2HB HIS 45 3HB HIS 45 -0.475 3.078 -6.873 343 HD1 HIS 45 1HD HIS 45 -1.211 3.259 -9.441 344 HD2 HIS 45 2HD HIS 45 -3.211 0.538 -6.925 345 HE1 HIS 45 1HE HIS 45 -2.256 1.507 -10.950 346 H ILE 46 H ILE 46 -3.064 0.811 -3.823 347 HA ILE 46 HA ILE 46 -1.372 -1.616 -4.271 348 HB ILE 46 HB ILE 46 -3.341 -0.759 -2.114 349 1HG1 ILE 46 2HG1 ILE 46 -1.539 -1.549 -0.605 350 2HG1 ILE 46 3HG1 ILE 46 -0.516 -1.926 -1.994 351 1HG2 ILE 46 1HG2 ILE 46 -4.124 -2.932 -2.621 352 2HG2 ILE 46 2HG2 ILE 46 -2.497 -3.563 -2.881 353 3HG2 ILE 46 3HG2 ILE 46 -3.041 -3.159 -1.247 354 1HD1 ILE 46 1HD1 ILE 46 0.006 0.200 -0.807 355 2HD1 ILE 46 2HD1 ILE 46 -0.279 0.398 -2.545 356 3HD1 ILE 46 3HD1 ILE 46 -1.534 0.871 -1.382 357 H LYS 47 H LYS 47 -2.301 -3.349 -5.396 358 HA LYS 47 HA LYS 47 -5.209 -3.166 -5.994 359 1HB LYS 47 2HB LYS 47 -3.035 -4.072 -7.887 360 2HB LYS 47 3HB LYS 47 -4.792 -4.174 -8.148 361 1HG LYS 47 2HG LYS 47 -4.678 -1.570 -7.537 362 2HG LYS 47 3HG LYS 47 -3.029 -1.664 -8.044 363 1HD LYS 47 2HD LYS 47 -5.448 -2.620 -9.729 364 2HD LYS 47 3HD LYS 47 -4.885 -0.963 -9.728 365 1HE LYS 47 2HE LYS 47 -3.979 -2.015 -11.674 366 2HE LYS 47 3HE LYS 47 -2.659 -1.646 -10.560 367 1HZ LYS 47 1HZ LYS 47 -2.720 -3.942 -9.863 368 2HZ LYS 47 2HZ LYS 47 -3.922 -4.287 -10.931 369 3HZ LYS 47 3HZ LYS 47 -2.434 -3.835 -11.477 370 H TYR 48 H TYR 48 -6.143 -4.661 -4.905 371 HA TYR 48 HA TYR 48 -4.722 -7.162 -4.208 372 1HB TYR 48 2HB TYR 48 -5.691 -7.034 -2.064 373 2HB TYR 48 3HB TYR 48 -4.920 -5.499 -2.366 374 HD1 TYR 48 HD1 TYR 48 -8.172 -7.273 -2.083 375 HD2 TYR 48 HD2 TYR 48 -6.234 -3.435 -2.260 376 HE1 TYR 48 HE1 TYR 48 -10.140 -6.241 -1.033 377 HE2 TYR 48 HE2 TYR 48 -8.204 -2.397 -1.191 378 HH TYR 48 HH TYR 48 -11.065 -4.307 -0.219 379 H ASP 49 H ASP 49 -6.109 -8.958 -3.689 380 HA ASP 49 HA ASP 49 -8.334 -9.308 -5.578 381 1HB ASP 49 2HB ASP 49 -6.819 -11.199 -3.720 382 2HB ASP 49 3HB ASP 49 -8.135 -11.682 -4.788 383 HA PRO 50 HA PRO 50 -10.844 -8.637 -1.781 384 1HB PRO 50 2HB PRO 50 -13.304 -8.347 -2.872 385 2HB PRO 50 3HB PRO 50 -12.021 -7.137 -3.132 386 1HG PRO 50 2HG PRO 50 -12.782 -9.411 -4.987 387 2HG PRO 50 3HG PRO 50 -12.625 -7.675 -5.396 388 1HD PRO 50 2HD PRO 50 -10.588 -9.480 -5.780 389 2HD PRO 50 3HD PRO 50 -10.253 -7.789 -5.291 390 H GLU 51 H GLU 51 -9.841 -11.101 -2.039 391 HA GLU 51 HA GLU 51 -12.061 -13.087 -2.022 392 1HB GLU 51 2HB GLU 51 -10.294 -14.746 -2.295 393 2HB GLU 51 3HB GLU 51 -10.242 -13.544 -3.584 394 1HG GLU 51 2HG GLU 51 -8.337 -12.394 -2.352 395 2HG GLU 51 3HG GLU 51 -8.362 -13.742 -1.204 396 H ILE 52 H ILE 52 -9.281 -11.873 -0.207 397 HA ILE 52 HA ILE 52 -10.387 -12.965 2.343 398 HB ILE 52 HB ILE 52 -8.117 -13.637 2.963 399 1HG1 ILE 52 2HG1 ILE 52 -6.753 -14.139 0.585 400 2HG1 ILE 52 3HG1 ILE 52 -7.269 -12.467 0.403 401 1HG2 ILE 52 1HG2 ILE 52 -8.095 -15.739 1.773 402 2HG2 ILE 52 2HG2 ILE 52 -9.758 -15.259 2.140 403 3HG2 ILE 52 3HG2 ILE 52 -9.128 -15.081 0.494 404 1HD1 ILE 52 1HD1 ILE 52 -5.091 -12.554 1.475 405 2HD1 ILE 52 2HD1 ILE 52 -6.267 -11.982 2.676 406 3HD1 ILE 52 3HD1 ILE 52 -5.696 -13.662 2.722 407 H ILE 53 H ILE 53 -8.101 -10.652 0.857 408 HA ILE 53 HA ILE 53 -7.421 -9.500 3.416 409 HB ILE 53 HB ILE 53 -5.986 -9.919 1.341 410 1HG1 ILE 53 2HG1 ILE 53 -4.857 -7.519 1.525 411 2HG1 ILE 53 3HG1 ILE 53 -5.918 -7.370 2.920 412 1HG2 ILE 53 1HG2 ILE 53 -5.933 -8.374 -0.419 413 2HG2 ILE 53 2HG2 ILE 53 -7.625 -8.855 -0.254 414 3HG2 ILE 53 3HG2 ILE 53 -7.086 -7.276 0.364 415 1HD1 ILE 53 1HD1 ILE 53 -3.937 -9.644 2.381 416 2HD1 ILE 53 2HD1 ILE 53 -3.655 -8.293 3.484 417 3HD1 ILE 53 3HD1 ILE 53 -4.935 -9.479 3.846 418 H GLY 54 H GLY 54 -7.876 -7.313 4.152 419 1HA GLY 54 2HA GLY 54 -9.888 -5.755 2.567 420 2HA GLY 54 1HA GLY 54 -9.852 -5.886 4.338 421 HA PRO 55 HA PRO 55 -7.148 -2.246 2.991 422 1HB PRO 55 2HB PRO 55 -8.479 -0.324 4.436 423 2HB PRO 55 3HB PRO 55 -8.871 -0.756 2.750 424 1HG PRO 55 2HG PRO 55 -10.234 -1.743 5.265 425 2HG PRO 55 3HG PRO 55 -10.993 -1.117 3.775 426 1HD PRO 55 2HD PRO 55 -10.746 -3.779 4.211 427 2HD PRO 55 3HD PRO 55 -10.489 -3.109 2.575 428 H ARG 56 H ARG 56 -8.719 -3.279 6.017 429 HA ARG 56 HA ARG 56 -7.074 -2.138 7.905 430 1HB ARG 56 2HB ARG 56 -9.166 -3.392 8.369 431 2HB ARG 56 3HB ARG 56 -8.366 -4.903 7.915 432 1HG ARG 56 2HG ARG 56 -8.473 -4.798 10.296 433 2HG ARG 56 3HG ARG 56 -6.784 -4.620 9.829 434 1HD ARG 56 2HD ARG 56 -7.018 -2.120 10.085 435 2HD ARG 56 3HD ARG 56 -8.668 -2.339 10.661 436 HE ARG 56 HE ARG 56 -6.111 -2.793 12.024 437 1HH1 ARG 56 2HH2 ARG 56 -9.506 -3.724 12.130 438 2HH1 ARG 56 1HH2 ARG 56 -9.474 -4.186 13.808 439 1HH2 ARG 56 2HH1 ARG 56 -5.984 -3.390 14.071 440 2HH2 ARG 56 1HH1 ARG 56 -7.353 -3.982 15.004 441 H ASP 57 H ASP 57 -6.603 -5.359 6.319 442 HA ASP 57 HA ASP 57 -4.302 -6.139 7.668 443 1HB ASP 57 2HB ASP 57 -4.856 -6.674 4.733 444 2HB ASP 57 3HB ASP 57 -4.028 -7.721 5.892 445 H ILE 58 H ILE 58 -4.629 -4.474 4.531 446 HA ILE 58 HA ILE 58 -1.899 -4.083 3.917 447 HB ILE 58 HB ILE 58 -4.326 -2.372 3.254 448 1HG1 ILE 58 2HG1 ILE 58 -2.868 -4.288 1.402 449 2HG1 ILE 58 3HG1 ILE 58 -4.173 -4.862 2.448 450 1HG2 ILE 58 1HG2 ILE 58 -2.902 -1.456 1.398 451 2HG2 ILE 58 2HG2 ILE 58 -2.308 -1.017 2.983 452 3HG2 ILE 58 3HG2 ILE 58 -1.515 -2.327 2.078 453 1HD1 ILE 58 1HD1 ILE 58 -5.742 -3.276 1.519 454 2HD1 ILE 58 2HD1 ILE 58 -4.504 -2.568 0.478 455 3HD1 ILE 58 3HD1 ILE 58 -5.018 -4.252 0.224 456 H ILE 59 H ILE 59 -4.204 -1.982 5.685 457 HA ILE 59 HA ILE 59 -2.509 0.144 6.153 458 HB ILE 59 HB ILE 59 -4.946 -0.924 7.509 459 1HG1 ILE 59 2HG1 ILE 59 -4.476 1.811 6.294 460 2HG1 ILE 59 3HG1 ILE 59 -4.848 0.393 5.306 461 1HG2 ILE 59 1HG2 ILE 59 -3.295 1.372 8.616 462 2HG2 ILE 59 2HG2 ILE 59 -5.011 1.126 8.981 463 3HG2 ILE 59 3HG2 ILE 59 -3.844 -0.098 9.445 464 1HD1 ILE 59 1HD1 ILE 59 -6.892 1.563 5.747 465 2HD1 ILE 59 2HD1 ILE 59 -6.929 0.034 6.644 466 3HD1 ILE 59 3HD1 ILE 59 -6.609 1.562 7.495 467 H HIS 60 H HIS 60 -3.064 -2.659 8.359 468 HA HIS 60 HA HIS 60 -1.051 -1.731 10.244 469 1HB HIS 60 2HB HIS 60 -2.484 -4.384 9.877 470 2HB HIS 60 3HB HIS 60 -1.252 -4.118 11.117 471 HD1 HIS 60 1HD HIS 60 -2.637 -0.927 11.457 472 HD2 HIS 60 2HD HIS 60 -4.011 -4.844 12.228 473 HE1 HIS 60 1HE HIS 60 -4.381 -0.738 13.280 474 H THR 61 H THR 61 -0.980 -3.846 7.427 475 HA THR 61 HA THR 61 1.656 -4.891 7.831 476 HB THR 61 HB THR 61 0.081 -4.287 5.308 477 HG1 THR 61 1HG THR 61 -0.860 -5.816 6.596 478 1HG2 THR 61 1HG2 THR 61 2.501 -4.498 4.740 479 2HG2 THR 61 2HG2 THR 61 2.592 -5.994 5.697 480 3HG2 THR 61 3HG2 THR 61 1.604 -5.939 4.223 481 H ILE 62 H ILE 62 0.512 -1.891 6.132 482 HA ILE 62 HA ILE 62 3.200 -1.102 5.500 483 HB ILE 62 HB ILE 62 0.573 0.364 5.385 484 1HG1 ILE 62 2HG1 ILE 62 2.393 -0.779 3.201 485 2HG1 ILE 62 3HG1 ILE 62 0.987 -1.623 3.857 486 1HG2 ILE 62 1HG2 ILE 62 1.856 2.011 3.958 487 2HG2 ILE 62 2HG2 ILE 62 2.303 2.044 5.652 488 3HG2 ILE 62 3HG2 ILE 62 3.355 1.223 4.471 489 1HD1 ILE 62 1HD1 ILE 62 -0.414 0.374 3.217 490 2HD1 ILE 62 2HD1 ILE 62 0.969 0.944 2.250 491 3HD1 ILE 62 3HD1 ILE 62 0.219 -0.610 1.878 492 H GLU 63 H GLU 63 1.020 -0.281 8.250 493 HA GLU 63 HA GLU 63 2.732 1.528 9.604 494 1HB GLU 63 2HB GLU 63 1.055 -0.745 10.730 495 2HB GLU 63 3HB GLU 63 1.862 0.479 11.701 496 1HG GLU 63 2HG GLU 63 0.531 2.252 10.781 497 2HG GLU 63 3HG GLU 63 -0.170 1.193 9.552 498 H SER 64 H SER 64 2.790 -2.075 9.659 499 HA SER 64 HA SER 64 5.179 -2.310 11.152 500 1HB SER 64 2HB SER 64 3.494 -4.117 10.607 501 2HB SER 64 3HB SER 64 4.279 -4.287 9.024 502 HG SER 64 HG SER 64 5.094 -5.712 10.671 503 H LEU 65 H LEU 65 4.769 -2.064 7.575 504 HA LEU 65 HA LEU 65 7.565 -2.270 6.977 505 1HB LEU 65 2HB LEU 65 5.467 -0.721 5.410 506 2HB LEU 65 3HB LEU 65 7.061 -1.208 4.846 507 HG LEU 65 HG LEU 65 4.722 -3.050 5.456 508 1HD1 LEU 65 1HD1 LEU 65 4.672 -1.863 3.299 509 2HD1 LEU 65 2HD1 LEU 65 6.304 -2.467 2.942 510 3HD1 LEU 65 3HD1 LEU 65 4.945 -3.602 3.077 511 1HD2 LEU 65 1HD2 LEU 65 7.596 -3.771 4.783 512 2HD2 LEU 65 2HD2 LEU 65 6.696 -4.224 6.253 513 3HD2 LEU 65 3HD2 LEU 65 6.210 -4.889 4.695 514 H GLY 66 H GLY 66 5.675 0.429 8.174 515 1HA GLY 66 2HA GLY 66 6.854 1.861 9.666 516 2HA GLY 66 1HA GLY 66 8.243 1.910 8.583 517 H PHE 67 H PHE 67 4.771 2.321 7.647 518 HA PHE 67 HA PHE 67 5.162 5.258 7.434 519 1HB PHE 67 2HB PHE 67 3.978 3.587 5.185 520 2HB PHE 67 3HB PHE 67 4.249 5.324 5.204 521 HD1 PHE 67 1HD PHE 67 5.676 2.089 4.386 522 HD2 PHE 67 2HD PHE 67 6.693 6.119 5.465 523 HE1 PHE 67 1HE PHE 67 7.952 1.755 3.472 524 HE2 PHE 67 2HE PHE 67 9.012 5.765 4.637 525 HZ PHE 67 HZ PHE 67 9.651 3.588 3.671 526 H GLU 68 H GLU 68 3.077 6.386 7.555 527 HA GLU 68 HA GLU 68 0.942 4.725 8.786 528 1HB GLU 68 2HB GLU 68 1.542 7.663 8.700 529 2HB GLU 68 3HB GLU 68 0.016 6.997 9.276 530 1HG GLU 68 2HG GLU 68 1.172 5.763 11.048 531 2HG GLU 68 3HG GLU 68 2.752 6.245 10.402 532 HA PRO 69 HA PRO 69 -0.916 5.377 4.663 533 1HB PRO 69 2HB PRO 69 -2.513 3.190 4.558 534 2HB PRO 69 3HB PRO 69 -0.733 3.046 4.475 535 1HG PRO 69 2HG PRO 69 -2.493 2.550 6.834 536 2HG PRO 69 3HG PRO 69 -1.064 1.642 6.257 537 1HD PRO 69 2HD PRO 69 -1.041 3.565 8.291 538 2HD PRO 69 3HD PRO 69 0.366 3.023 7.335 539 H SER 70 H SER 70 -2.448 6.926 4.409 540 HA SER 70 HA SER 70 -5.075 6.684 5.844 541 1HB SER 70 2HB SER 70 -3.592 9.138 4.811 542 2HB SER 70 3HB SER 70 -5.250 9.138 5.435 543 HG SER 70 HG SER 70 -3.708 9.685 7.063 544 H LEU 71 H LEU 71 -6.824 6.393 4.403 545 HA LEU 71 HA LEU 71 -6.348 5.706 1.714 546 1HB LEU 71 2HB LEU 71 -8.876 6.573 3.158 547 2HB LEU 71 3HB LEU 71 -8.823 6.056 1.469 548 HG LEU 71 HG LEU 71 -7.746 3.887 2.245 549 1HD1 LEU 71 1HD1 LEU 71 -8.683 4.911 4.958 550 2HD1 LEU 71 2HD1 LEU 71 -8.398 3.199 4.596 551 3HD1 LEU 71 3HD1 LEU 71 -7.054 4.333 4.518 552 1HD2 LEU 71 1HD2 LEU 71 -9.933 2.900 2.783 553 2HD2 LEU 71 2HD2 LEU 71 -10.576 4.505 3.186 554 3HD2 LEU 71 3HD2 LEU 71 -10.117 4.125 1.517 555 H VAL 72 H VAL 72 -6.205 6.870 -0.170 556 HA VAL 72 HA VAL 72 -6.174 9.799 -0.114 557 HB VAL 72 HB VAL 72 -6.147 7.805 -2.420 558 1HG1 VAL 72 1HG1 VAL 72 -7.001 9.954 -3.243 559 2HG1 VAL 72 2HG1 VAL 72 -5.668 10.814 -2.441 560 3HG1 VAL 72 3HG1 VAL 72 -5.344 9.713 -3.798 561 1HG2 VAL 72 1HG2 VAL 72 -3.889 9.464 -1.224 562 2HG2 VAL 72 2HG2 VAL 72 -4.121 7.718 -0.991 563 3HG2 VAL 72 3HG2 VAL 72 -3.759 8.354 -2.597 564 H LYS 73 H LYS 73 -8.300 7.227 -1.388 565 HA LYS 73 HA LYS 73 -10.382 9.245 -2.043 566 1HB LYS 73 2HB LYS 73 -9.553 7.927 -3.913 567 2HB LYS 73 3HB LYS 73 -9.873 6.424 -3.043 568 1HG LYS 73 2HG LYS 73 -11.552 6.809 -4.711 569 2HG LYS 73 3HG LYS 73 -12.292 6.847 -3.108 570 1HD LYS 73 2HD LYS 73 -12.326 9.324 -3.140 571 2HD LYS 73 3HD LYS 73 -11.510 9.349 -4.705 572 1HE LYS 73 2HE LYS 73 -14.280 8.175 -4.096 573 2HE LYS 73 3HE LYS 73 -13.971 9.754 -4.831 574 1HZ LYS 73 1HZ LYS 73 -12.931 8.619 -6.685 575 2HZ LYS 73 2HZ LYS 73 -13.276 7.152 -6.020 576 3HZ LYS 73 3HZ LYS 73 -14.493 8.147 -6.490 577 H ILE 74 H ILE 74 -11.717 9.466 -0.384 578 HA ILE 74 HA ILE 74 -13.229 9.173 1.134 579 HB ILE 74 HB ILE 74 -14.287 8.021 -0.825 580 1HG1 ILE 74 2HG1 ILE 74 -15.590 6.959 1.657 581 2HG1 ILE 74 3HG1 ILE 74 -15.387 8.711 1.474 582 1HG2 ILE 74 1HG2 ILE 74 -13.611 5.498 0.733 583 2HG2 ILE 74 2HG2 ILE 74 -14.963 5.583 -0.398 584 3HG2 ILE 74 3HG2 ILE 74 -13.339 5.849 -0.990 585 1HD1 ILE 74 1HD1 ILE 74 -16.578 8.652 -0.676 586 2HD1 ILE 74 2HD1 ILE 74 -16.804 6.895 -0.518 587 3HD1 ILE 74 3HD1 ILE 74 -17.561 7.995 0.645 588 H GLU 75 H GLU 75 -14.195 7.424 2.959 589 HA GLU 75 HA GLU 75 -12.038 5.991 4.243 590 1HB GLU 75 2HB GLU 75 -13.505 8.351 5.529 591 2HB GLU 75 3HB GLU 75 -12.425 7.215 6.349 592 1HG GLU 75 2HG GLU 75 -10.540 8.006 4.892 593 2HG GLU 75 3HG GLU 75 -11.624 9.214 4.181 Start of MODEL 29 1 1H MET 1 H1 MET 1 -12.731 -8.229 -12.554 2 2H MET 1 H2 MET 1 -13.390 -7.506 -13.894 3 3H MET 1 H3 MET 1 -13.430 -6.848 -12.366 4 HA MET 1 HA MET 1 -15.593 -7.931 -13.130 5 1HB MET 1 2HB MET 1 -13.846 -10.401 -12.718 6 2HB MET 1 3HB MET 1 -15.609 -10.408 -12.878 7 1HG MET 1 2HG MET 1 -15.414 -9.454 -15.154 8 2HG MET 1 3HG MET 1 -13.644 -9.512 -15.020 9 1HE MET 1 1HE MET 1 -15.275 -10.789 -17.429 10 2HE MET 1 2HE MET 1 -13.502 -10.841 -17.289 11 3HE MET 1 3HE MET 1 -14.413 -12.339 -17.606 12 H GLY 2 H GLY 2 -13.164 -8.991 -10.657 13 1HA GLY 2 2HA GLY 2 -15.119 -8.430 -8.485 14 2HA GLY 2 1HA GLY 2 -14.397 -10.050 -8.598 15 H ASP 3 H ASP 3 -13.472 -6.600 -8.868 16 HA ASP 3 HA ASP 3 -10.893 -6.944 -7.521 17 1HB ASP 3 2HB ASP 3 -9.973 -5.999 -9.867 18 2HB ASP 3 3HB ASP 3 -10.050 -7.723 -9.488 19 H GLY 4 H GLY 4 -9.924 -4.912 -7.123 20 1HA GLY 4 2HA GLY 4 -11.032 -2.395 -7.968 21 2HA GLY 4 1HA GLY 4 -11.667 -2.884 -6.382 22 H VAL 5 H VAL 5 -9.233 -1.125 -7.786 23 HA VAL 5 HA VAL 5 -7.069 -1.892 -5.952 24 HB VAL 5 HB VAL 5 -5.724 -0.340 -7.085 25 1HG1 VAL 5 1HG1 VAL 5 -6.350 -2.392 -8.408 26 2HG1 VAL 5 2HG1 VAL 5 -7.590 -1.441 -9.246 27 3HG1 VAL 5 3HG1 VAL 5 -5.891 -1.004 -9.420 28 1HG2 VAL 5 1HG2 VAL 5 -6.531 1.252 -8.813 29 2HG2 VAL 5 2HG2 VAL 5 -8.207 0.884 -8.352 30 3HG2 VAL 5 3HG2 VAL 5 -7.099 1.660 -7.196 31 H LEU 6 H LEU 6 -6.490 -0.696 -4.097 32 HA LEU 6 HA LEU 6 -8.252 1.636 -3.397 33 1HB LEU 6 2HB LEU 6 -7.003 -0.497 -1.652 34 2HB LEU 6 3HB LEU 6 -7.386 1.113 -1.045 35 HG LEU 6 HG LEU 6 -9.741 0.847 -1.840 36 1HD1 LEU 6 1HD1 LEU 6 -9.687 -0.958 -3.412 37 2HD1 LEU 6 2HD1 LEU 6 -8.898 -2.044 -2.254 38 3HD1 LEU 6 3HD1 LEU 6 -10.580 -1.536 -2.010 39 1HD2 LEU 6 1HD2 LEU 6 -10.384 -0.525 0.134 40 2HD2 LEU 6 2HD2 LEU 6 -8.687 -1.034 0.301 41 3HD2 LEU 6 3HD2 LEU 6 -9.135 0.671 0.503 42 H GLU 7 H GLU 7 -7.217 3.407 -2.415 43 HA GLU 7 HA GLU 7 -4.277 3.529 -2.750 44 1HB GLU 7 2HB GLU 7 -6.317 5.617 -3.621 45 2HB GLU 7 3HB GLU 7 -4.575 5.877 -3.409 46 1HG GLU 7 2HG GLU 7 -4.337 3.928 -5.115 47 2HG GLU 7 3HG GLU 7 -6.007 4.319 -5.550 48 H LEU 8 H LEU 8 -3.175 4.534 -1.168 49 HA LEU 8 HA LEU 8 -4.614 5.999 0.942 50 1HB LEU 8 2HB LEU 8 -3.076 4.584 2.591 51 2HB LEU 8 3HB LEU 8 -4.707 4.082 2.239 52 HG LEU 8 HG LEU 8 -2.390 3.054 0.587 53 1HD1 LEU 8 1HD1 LEU 8 -2.264 1.121 2.112 54 2HD1 LEU 8 2HD1 LEU 8 -1.815 2.630 2.908 55 3HD1 LEU 8 3HD1 LEU 8 -3.419 1.911 3.211 56 1HD2 LEU 8 1HD2 LEU 8 -5.311 2.477 0.831 57 2HD2 LEU 8 2HD2 LEU 8 -4.187 2.073 -0.477 58 3HD2 LEU 8 3HD2 LEU 8 -4.318 1.032 0.947 59 H VAL 9 H VAL 9 -3.386 7.484 1.945 60 HA VAL 9 HA VAL 9 -0.876 8.307 0.681 61 HB VAL 9 HB VAL 9 -2.238 9.490 3.126 62 1HG1 VAL 9 1HG1 VAL 9 -0.987 11.507 2.463 63 2HG1 VAL 9 2HG1 VAL 9 0.137 10.158 2.687 64 3HG1 VAL 9 3HG1 VAL 9 -0.331 10.661 1.048 65 1HG2 VAL 9 1HG2 VAL 9 -3.905 9.567 1.376 66 2HG2 VAL 9 2HG2 VAL 9 -3.189 11.172 1.518 67 3HG2 VAL 9 3HG2 VAL 9 -2.701 10.111 0.179 68 H VAL 10 H VAL 10 1.126 7.667 1.555 69 HA VAL 10 HA VAL 10 1.139 6.131 4.102 70 HB VAL 10 HB VAL 10 3.076 5.001 3.001 71 1HG1 VAL 10 1HG1 VAL 10 1.614 3.338 1.916 72 2HG1 VAL 10 2HG1 VAL 10 0.849 3.949 3.391 73 3HG1 VAL 10 3HG1 VAL 10 0.304 4.533 1.810 74 1HG2 VAL 10 1HG2 VAL 10 3.162 4.799 0.594 75 2HG2 VAL 10 2HG2 VAL 10 1.804 5.921 0.397 76 3HG2 VAL 10 3HG2 VAL 10 3.353 6.497 1.032 77 H ARG 11 H ARG 11 1.615 7.945 5.404 78 HA ARG 11 HA ARG 11 3.609 9.868 4.434 79 1HB ARG 11 2HB ARG 11 2.471 9.653 7.241 80 2HB ARG 11 3HB ARG 11 3.382 10.979 6.539 81 1HG ARG 11 2HG ARG 11 1.559 11.415 4.918 82 2HG ARG 11 3HG ARG 11 0.635 10.054 5.575 83 1HD ARG 11 2HD ARG 11 -0.160 12.202 6.487 84 2HD ARG 11 3HD ARG 11 0.428 11.119 7.737 85 HE ARG 11 HE ARG 11 1.825 13.534 6.607 86 1HH1 ARG 11 2HH2 ARG 11 1.393 11.354 9.425 87 2HH1 ARG 11 1HH2 ARG 11 2.894 11.627 10.045 88 1HH2 ARG 11 2HH1 ARG 11 3.655 14.353 7.785 89 2HH2 ARG 11 1HH1 ARG 11 3.970 13.740 9.383 90 H GLY 12 H GLY 12 5.753 9.950 4.950 91 1HA GLY 12 2HA GLY 12 7.372 9.513 6.834 92 2HA GLY 12 1HA GLY 12 6.923 7.812 6.698 93 H MET 13 H MET 13 6.672 7.731 3.757 94 HA MET 13 HA MET 13 9.455 7.208 3.281 95 1HB MET 13 2HB MET 13 8.764 6.489 1.093 96 2HB MET 13 3HB MET 13 7.697 5.799 2.325 97 1HG MET 13 2HG MET 13 5.972 7.467 1.659 98 2HG MET 13 3HG MET 13 7.116 8.163 0.499 99 1HE MET 13 1HE MET 13 4.483 7.581 -0.447 100 2HE MET 13 2HE MET 13 5.751 7.931 -1.635 101 3HE MET 13 3HE MET 13 4.628 6.582 -1.921 102 H THR 14 H THR 14 10.856 8.168 1.731 103 HA THR 14 HA THR 14 10.090 10.806 0.628 104 HB THR 14 HB THR 14 10.714 11.236 2.968 105 HG1 THR 14 1HG THR 14 12.388 12.158 0.902 106 1HG2 THR 14 1HG2 THR 14 13.470 10.160 2.215 107 2HG2 THR 14 2HG2 THR 14 13.021 10.965 3.729 108 3HG2 THR 14 3HG2 THR 14 12.326 9.385 3.333 109 H CYS 15 H CYS 15 11.682 7.906 -0.067 110 HA CYS 15 HA CYS 15 12.890 9.111 -2.371 111 1HB CYS 15 2HB CYS 15 15.202 8.109 -1.777 112 2HB CYS 15 3HB CYS 15 14.762 9.672 -1.107 113 H ALA 16 H ALA 16 13.914 7.447 -3.716 114 HA ALA 16 HA ALA 16 12.273 5.354 -4.353 115 1HB ALA 16 1HB ALA 16 15.286 5.506 -4.757 116 2HB ALA 16 2HB ALA 16 14.167 4.451 -5.647 117 3HB ALA 16 3HB ALA 16 14.041 6.213 -5.813 118 H SER 17 H SER 17 15.093 5.295 -2.177 119 HA SER 17 HA SER 17 15.510 2.799 -1.342 120 1HB SER 17 2HB SER 17 15.046 5.078 0.593 121 2HB SER 17 3HB SER 17 16.317 3.844 0.610 122 HG SER 17 HG SER 17 16.751 6.119 -0.242 123 H CYS 18 H CYS 18 12.784 4.895 -0.274 124 HA CYS 18 HA CYS 18 11.615 2.874 1.476 125 1HB CYS 18 2HB CYS 18 10.515 5.477 0.411 126 2HB CYS 18 3HB CYS 18 9.870 4.517 1.759 127 H VAL 19 H VAL 19 10.910 4.364 -1.709 128 HA VAL 19 HA VAL 19 8.355 3.424 -2.170 129 HB VAL 19 HB VAL 19 10.661 3.867 -4.119 130 1HG1 VAL 19 1HG1 VAL 19 7.727 3.627 -4.801 131 2HG1 VAL 19 2HG1 VAL 19 8.996 4.200 -5.886 132 3HG1 VAL 19 3HG1 VAL 19 9.025 2.535 -5.307 133 1HG2 VAL 19 1HG2 VAL 19 10.051 5.845 -2.779 134 2HG2 VAL 19 2HG2 VAL 19 9.638 6.061 -4.483 135 3HG2 VAL 19 3HG2 VAL 19 8.364 5.682 -3.298 136 H HIS 20 H HIS 20 11.419 1.966 -3.325 137 HA HIS 20 HA HIS 20 10.091 -0.340 -4.324 138 1HB HIS 20 2HB HIS 20 12.313 -1.160 -4.768 139 2HB HIS 20 3HB HIS 20 12.039 0.509 -5.287 140 HD1 HIS 20 1HD HIS 20 14.496 1.223 -5.413 141 HD2 HIS 20 2HD HIS 20 13.371 -0.446 -1.723 142 HE1 HIS 20 1HE HIS 20 16.513 1.433 -3.862 143 H LYS 21 H LYS 21 11.137 0.495 -1.093 144 HA LYS 21 HA LYS 21 11.343 -2.182 -0.078 145 1HB LYS 21 2HB LYS 21 11.863 0.395 0.885 146 2HB LYS 21 3HB LYS 21 10.449 -0.061 1.815 147 1HG LYS 21 2HG LYS 21 13.041 -1.604 1.523 148 2HG LYS 21 3HG LYS 21 12.582 -0.571 2.895 149 1HD LYS 21 2HD LYS 21 10.529 -2.053 3.227 150 2HD LYS 21 3HD LYS 21 11.218 -3.194 2.072 151 1HE LYS 21 2HE LYS 21 12.411 -2.288 4.743 152 2HE LYS 21 3HE LYS 21 11.713 -3.872 4.384 153 1HZ LYS 21 1HZ LYS 21 13.503 -4.222 2.802 154 2HZ LYS 21 2HZ LYS 21 14.156 -2.754 3.170 155 3HZ LYS 21 3HZ LYS 21 14.093 -3.935 4.310 156 H ILE 22 H ILE 22 8.804 0.383 -0.057 157 HA ILE 22 HA ILE 22 6.822 -1.241 1.189 158 HB ILE 22 HB ILE 22 6.303 1.051 -0.760 159 1HG1 ILE 22 2HG1 ILE 22 6.972 1.000 2.200 160 2HG1 ILE 22 3HG1 ILE 22 7.734 1.924 0.891 161 1HG2 ILE 22 1HG2 ILE 22 4.329 -0.307 -0.332 162 2HG2 ILE 22 2HG2 ILE 22 4.647 -0.298 1.411 163 3HG2 ILE 22 3HG2 ILE 22 4.148 1.183 0.570 164 1HD1 ILE 22 1HD1 ILE 22 6.503 3.480 2.155 165 2HD1 ILE 22 2HD1 ILE 22 5.604 3.235 0.645 166 3HD1 ILE 22 3HD1 ILE 22 5.047 2.478 2.162 167 H GLU 23 H GLU 23 7.365 -0.518 -2.296 168 HA GLU 23 HA GLU 23 5.300 -2.139 -3.303 169 1HB GLU 23 2HB GLU 23 7.983 -1.377 -4.529 170 2HB GLU 23 3HB GLU 23 6.637 -2.091 -5.428 171 1HG GLU 23 2HG GLU 23 5.185 -0.223 -4.835 172 2HG GLU 23 3HG GLU 23 6.443 0.525 -3.862 173 H SER 24 H SER 24 8.795 -3.017 -3.032 174 HA SER 24 HA SER 24 8.523 -5.686 -3.847 175 1HB SER 24 2HB SER 24 10.675 -4.531 -3.588 176 2HB SER 24 3HB SER 24 10.498 -4.572 -1.819 177 HG SER 24 HG SER 24 11.767 -6.304 -2.745 178 H SER 25 H SER 25 8.387 -4.303 -0.514 179 HA SER 25 HA SER 25 8.078 -6.771 0.817 180 1HB SER 25 2HB SER 25 8.748 -4.599 1.848 181 2HB SER 25 3HB SER 25 7.063 -4.052 1.728 182 HG SER 25 HG SER 25 6.570 -5.984 3.021 183 H LEU 26 H LEU 26 5.578 -4.543 -0.558 184 HA LEU 26 HA LEU 26 3.380 -6.082 0.479 185 1HB LEU 26 2HB LEU 26 3.633 -4.124 -1.813 186 2HB LEU 26 3HB LEU 26 2.112 -4.949 -1.458 187 HG LEU 26 HG LEU 26 3.601 -3.350 0.637 188 1HD1 LEU 26 1HD1 LEU 26 1.364 -2.498 -1.248 189 2HD1 LEU 26 2HD1 LEU 26 1.980 -1.522 0.105 190 3HD1 LEU 26 3HD1 LEU 26 3.045 -1.922 -1.254 191 1HD2 LEU 26 1HD2 LEU 26 1.923 -4.877 1.609 192 2HD2 LEU 26 2HD2 LEU 26 1.353 -3.216 1.712 193 3HD2 LEU 26 3HD2 LEU 26 0.701 -4.286 0.459 194 H THR 27 H THR 27 5.171 -6.219 -2.647 195 HA THR 27 HA THR 27 3.539 -8.358 -3.698 196 HB THR 27 HB THR 27 5.386 -8.512 -5.396 197 HG1 THR 27 1HG THR 27 6.808 -7.347 -3.590 198 1HG2 THR 27 1HG2 THR 27 4.906 -6.315 -6.393 199 2HG2 THR 27 2HG2 THR 27 3.427 -7.030 -5.723 200 3HG2 THR 27 3HG2 THR 27 4.262 -5.725 -4.850 201 H LYS 28 H LYS 28 3.719 -9.398 -1.533 202 HA LYS 28 HA LYS 28 5.365 -11.802 -1.576 203 1HB LYS 28 2HB LYS 28 5.338 -9.981 0.878 204 2HB LYS 28 3HB LYS 28 6.192 -11.514 0.714 205 1HG LYS 28 2HG LYS 28 6.791 -8.978 -0.843 206 2HG LYS 28 3HG LYS 28 7.601 -9.436 0.622 207 1HD LYS 28 2HD LYS 28 8.653 -11.346 -0.385 208 2HD LYS 28 3HD LYS 28 7.563 -11.308 -1.781 209 1HE LYS 28 2HE LYS 28 8.499 -9.104 -2.474 210 2HE LYS 28 3HE LYS 28 9.669 -9.182 -1.146 211 1HZ LYS 28 1HZ LYS 28 9.396 -11.027 -3.429 212 2HZ LYS 28 2HZ LYS 28 10.556 -9.878 -3.245 213 3HZ LYS 28 3HZ LYS 28 10.531 -11.183 -2.237 214 H HIS 29 H HIS 29 2.995 -9.701 0.256 215 HA HIS 29 HA HIS 29 1.869 -11.992 1.564 216 1HB HIS 29 2HB HIS 29 0.308 -10.542 2.531 217 2HB HIS 29 3HB HIS 29 1.840 -9.680 2.487 218 HD1 HIS 29 1HD HIS 29 -1.566 -9.757 0.637 219 HD2 HIS 29 2HD HIS 29 1.663 -7.243 1.598 220 HE1 HIS 29 1HE HIS 29 -2.277 -7.386 0.019 221 H ARG 30 H ARG 30 0.086 -13.210 1.028 222 HA ARG 30 HA ARG 30 -0.738 -13.399 -1.696 223 1HB ARG 30 2HB ARG 30 -2.106 -14.341 0.866 224 2HB ARG 30 3HB ARG 30 -2.638 -14.746 -0.773 225 1HG ARG 30 2HG ARG 30 -0.394 -15.750 -1.241 226 2HG ARG 30 3HG ARG 30 0.060 -15.472 0.455 227 1HD ARG 30 2HD ARG 30 -1.833 -16.880 1.198 228 2HD ARG 30 3HD ARG 30 -2.326 -17.114 -0.501 229 HE ARG 30 HE ARG 30 0.399 -17.899 -0.177 230 1HH1 ARG 30 2HH2 ARG 30 -2.851 -18.956 0.668 231 2HH1 ARG 30 1HH2 ARG 30 -2.492 -20.654 0.670 232 1HH2 ARG 30 2HH1 ARG 30 0.939 -20.155 -0.182 233 2HH2 ARG 30 1HH1 ARG 30 -0.265 -21.346 0.182 234 H GLY 31 H GLY 31 -2.709 -12.760 -2.697 235 1HA GLY 31 2HA GLY 31 -4.675 -11.591 -2.900 236 2HA GLY 31 1HA GLY 31 -4.489 -10.852 -1.310 237 H ILE 32 H ILE 32 -1.545 -9.918 -2.110 238 HA ILE 32 HA ILE 32 -2.501 -7.602 -3.595 239 HB ILE 32 HB ILE 32 -0.275 -8.094 -1.923 240 1HG1 ILE 32 2HG1 ILE 32 -1.722 -6.014 -2.350 241 2HG1 ILE 32 3HG1 ILE 32 -0.022 -5.791 -1.957 242 1HG2 ILE 32 1HG2 ILE 32 0.669 -7.540 -4.751 243 2HG2 ILE 32 2HG2 ILE 32 1.589 -7.246 -3.272 244 3HG2 ILE 32 3HG2 ILE 32 1.112 -8.907 -3.692 245 1HD1 ILE 32 1HD1 ILE 32 -1.006 -5.849 -4.817 246 2HD1 ILE 32 2HD1 ILE 32 -0.828 -4.350 -3.913 247 3HD1 ILE 32 3HD1 ILE 32 0.591 -5.331 -4.228 248 H LEU 33 H LEU 33 -2.534 -7.365 -5.697 249 HA LEU 33 HA LEU 33 -1.371 -9.418 -7.502 250 1HB LEU 33 2HB LEU 33 -3.313 -7.154 -8.084 251 2HB LEU 33 3HB LEU 33 -2.821 -8.457 -9.170 252 HG LEU 33 HG LEU 33 -4.399 -8.832 -6.592 253 1HD1 LEU 33 1HD1 LEU 33 -5.287 -8.906 -9.504 254 2HD1 LEU 33 2HD1 LEU 33 -6.297 -9.270 -8.089 255 3HD1 LEU 33 3HD1 LEU 33 -5.672 -7.632 -8.324 256 1HD2 LEU 33 1HD2 LEU 33 -3.586 -10.778 -8.803 257 2HD2 LEU 33 2HD2 LEU 33 -3.115 -10.851 -7.088 258 3HD2 LEU 33 3HD2 LEU 33 -4.794 -11.127 -7.555 259 H TYR 34 H TYR 34 -1.483 -5.781 -6.909 260 HA TYR 34 HA TYR 34 1.316 -5.679 -7.704 261 1HB TYR 34 2HB TYR 34 0.199 -5.652 -9.922 262 2HB TYR 34 3HB TYR 34 -0.816 -4.315 -9.398 263 HD1 TYR 34 HD1 TYR 34 2.726 -5.330 -10.042 264 HD2 TYR 34 HD2 TYR 34 -0.022 -2.059 -9.538 265 HE1 TYR 34 HE1 TYR 34 4.470 -3.737 -10.825 266 HE2 TYR 34 HE2 TYR 34 1.691 -0.478 -10.380 267 HH TYR 34 HH TYR 34 3.903 -0.225 -11.067 268 H CYS 35 H CYS 35 2.288 -3.688 -7.030 269 HA CYS 35 HA CYS 35 0.536 -1.728 -5.621 270 1HB CYS 35 2HB CYS 35 1.879 -2.985 -3.873 271 2HB CYS 35 3HB CYS 35 3.342 -2.634 -4.815 272 HG CYS 35 HG CYS 35 3.514 -0.995 -2.973 273 H SER 36 H SER 36 1.237 0.447 -6.044 274 HA SER 36 HA SER 36 3.983 0.583 -6.441 275 1HB SER 36 2HB SER 36 3.488 0.674 -8.829 276 2HB SER 36 3HB SER 36 2.451 2.099 -8.573 277 HG SER 36 HG SER 36 5.152 2.068 -7.694 278 H VAL 37 H VAL 37 4.844 2.546 -5.579 279 HA VAL 37 HA VAL 37 2.811 4.352 -4.383 280 HB VAL 37 HB VAL 37 3.911 4.413 -2.303 281 1HG1 VAL 37 1HG1 VAL 37 4.279 1.486 -3.007 282 2HG1 VAL 37 2HG1 VAL 37 3.817 2.207 -1.463 283 3HG1 VAL 37 3HG1 VAL 37 2.666 2.192 -2.817 284 1HG2 VAL 37 1HG2 VAL 37 6.282 4.455 -3.008 285 2HG2 VAL 37 2HG2 VAL 37 6.007 3.180 -1.809 286 3HG2 VAL 37 3HG2 VAL 37 6.143 2.747 -3.519 287 H ALA 38 H ALA 38 3.100 6.478 -4.577 288 HA ALA 38 HA ALA 38 5.525 7.352 -6.105 289 1HB ALA 38 1HB ALA 38 2.714 8.483 -6.199 290 2HB ALA 38 2HB ALA 38 4.158 9.077 -7.060 291 3HB ALA 38 3HB ALA 38 3.490 7.472 -7.448 292 H LEU 39 H LEU 39 6.655 8.946 -5.351 293 HA LEU 39 HA LEU 39 6.369 9.951 -2.656 294 1HB LEU 39 2HB LEU 39 8.164 10.829 -4.947 295 2HB LEU 39 3HB LEU 39 8.332 11.355 -3.269 296 HG LEU 39 HG LEU 39 8.556 8.442 -4.167 297 1HD1 LEU 39 1HD1 LEU 39 10.347 9.842 -5.144 298 2HD1 LEU 39 2HD1 LEU 39 10.758 10.442 -3.520 299 3HD1 LEU 39 3HD1 LEU 39 10.969 8.723 -3.921 300 1HD2 LEU 39 1HD2 LEU 39 9.667 8.174 -1.933 301 2HD2 LEU 39 2HD2 LEU 39 9.225 9.848 -1.539 302 3HD2 LEU 39 3HD2 LEU 39 7.968 8.621 -1.788 303 H ALA 40 H ALA 40 5.598 11.151 -5.863 304 HA ALA 40 HA ALA 40 5.342 13.798 -5.724 305 1HB ALA 40 1HB ALA 40 3.481 13.627 -7.333 306 2HB ALA 40 2HB ALA 40 4.753 12.442 -7.685 307 3HB ALA 40 3HB ALA 40 3.247 11.921 -6.896 308 H THR 41 H THR 41 2.923 11.607 -4.245 309 HA THR 41 HA THR 41 2.109 13.841 -2.497 310 HB THR 41 HB THR 41 0.644 13.846 -4.432 311 HG1 THR 41 1HG THR 41 -0.085 14.598 -2.419 312 1HG2 THR 41 1HG2 THR 41 -0.541 11.252 -3.410 313 2HG2 THR 41 2HG2 THR 41 -1.066 12.194 -4.810 314 3HG2 THR 41 3HG2 THR 41 0.506 11.367 -4.849 315 H ASN 42 H ASN 42 3.812 11.713 -2.251 316 HA ASN 42 HA ASN 42 4.261 9.697 -1.262 317 1HB ASN 42 2HB ASN 42 3.328 11.534 0.951 318 2HB ASN 42 3HB ASN 42 4.016 9.939 1.294 319 1HD2 ASN 42 1HD2 ASN 42 5.036 12.936 1.548 320 2HD2 ASN 42 2HD2 ASN 42 6.691 12.719 1.000 321 H LYS 43 H LYS 43 2.521 8.668 -2.542 322 HA LYS 43 HA LYS 43 0.396 7.535 -0.785 323 1HB LYS 43 2HB LYS 43 -0.510 9.497 -1.822 324 2HB LYS 43 3HB LYS 43 0.074 8.985 -3.416 325 1HG LYS 43 2HG LYS 43 -1.786 7.106 -2.006 326 2HG LYS 43 3HG LYS 43 -2.481 8.646 -2.477 327 1HD LYS 43 2HD LYS 43 -0.976 6.804 -4.403 328 2HD LYS 43 3HD LYS 43 -2.716 6.811 -4.152 329 1HE LYS 43 2HE LYS 43 -2.376 9.470 -4.662 330 2HE LYS 43 3HE LYS 43 -0.973 8.838 -5.524 331 1HZ LYS 43 1HZ LYS 43 -2.687 7.251 -6.594 332 2HZ LYS 43 2HZ LYS 43 -3.822 8.114 -5.944 333 3HZ LYS 43 3HZ LYS 43 -2.826 8.853 -7.036 334 H ALA 44 H ALA 44 -0.179 5.564 -1.108 335 HA ALA 44 HA ALA 44 1.252 3.893 -3.101 336 1HB ALA 44 1HB ALA 44 0.683 2.051 -1.540 337 2HB ALA 44 2HB ALA 44 1.645 3.307 -0.729 338 3HB ALA 44 3HB ALA 44 -0.107 3.215 -0.460 339 H HIS 45 H HIS 45 0.047 2.655 -4.561 340 HA HIS 45 HA HIS 45 -2.855 2.468 -4.026 341 1HB HIS 45 2HB HIS 45 -3.331 2.217 -6.273 342 2HB HIS 45 3HB HIS 45 -2.256 3.619 -6.222 343 HD1 HIS 45 1HD HIS 45 -0.501 3.502 -8.111 344 HD2 HIS 45 2HD HIS 45 -2.051 -0.204 -6.892 345 HE1 HIS 45 1HE HIS 45 0.329 1.775 -9.808 346 H ILE 46 H ILE 46 -3.570 0.391 -3.823 347 HA ILE 46 HA ILE 46 -1.602 -1.831 -4.165 348 HB ILE 46 HB ILE 46 -3.587 -1.481 -1.879 349 1HG1 ILE 46 2HG1 ILE 46 -1.208 -1.786 -0.652 350 2HG1 ILE 46 3HG1 ILE 46 -0.589 -1.075 -2.142 351 1HG2 ILE 46 1HG2 ILE 46 -2.915 -3.594 -1.098 352 2HG2 ILE 46 2HG2 ILE 46 -2.995 -3.880 -2.841 353 3HG2 ILE 46 3HG2 ILE 46 -1.437 -3.583 -2.038 354 1HD1 ILE 46 1HD1 ILE 46 -2.044 0.952 -1.674 355 2HD1 ILE 46 2HD1 ILE 46 -2.677 0.094 -0.256 356 3HD1 ILE 46 3HD1 ILE 46 -0.974 0.574 -0.315 357 H LYS 47 H LYS 47 -2.327 -3.042 -5.782 358 HA LYS 47 HA LYS 47 -5.217 -3.209 -6.427 359 1HB LYS 47 2HB LYS 47 -2.891 -4.358 -8.020 360 2HB LYS 47 3HB LYS 47 -4.558 -4.076 -8.503 361 1HG LYS 47 2HG LYS 47 -3.926 -1.524 -8.087 362 2HG LYS 47 3HG LYS 47 -2.264 -2.113 -8.141 363 1HD LYS 47 2HD LYS 47 -2.700 -3.177 -10.356 364 2HD LYS 47 3HD LYS 47 -4.376 -2.613 -10.299 365 1HE LYS 47 2HE LYS 47 -3.482 -0.223 -10.183 366 2HE LYS 47 3HE LYS 47 -1.864 -0.888 -10.462 367 1HZ LYS 47 1HZ LYS 47 -4.136 -1.153 -12.305 368 2HZ LYS 47 2HZ LYS 47 -2.852 -0.142 -12.482 369 3HZ LYS 47 3HZ LYS 47 -2.627 -1.769 -12.544 370 H TYR 48 H TYR 48 -5.904 -4.633 -4.825 371 HA TYR 48 HA TYR 48 -4.586 -7.258 -4.700 372 1HB TYR 48 2HB TYR 48 -5.054 -7.337 -2.316 373 2HB TYR 48 3HB TYR 48 -4.169 -5.870 -2.663 374 HD1 TYR 48 HD1 TYR 48 -7.419 -7.326 -1.733 375 HD2 TYR 48 HD2 TYR 48 -5.242 -3.659 -2.277 376 HE1 TYR 48 HE1 TYR 48 -9.095 -6.142 -0.366 377 HE2 TYR 48 HE2 TYR 48 -6.827 -2.515 -0.757 378 HH TYR 48 HH TYR 48 -9.819 -4.076 0.365 379 H ASP 49 H ASP 49 -6.021 -8.972 -3.844 380 HA ASP 49 HA ASP 49 -8.469 -9.167 -5.369 381 1HB ASP 49 2HB ASP 49 -7.170 -11.007 -3.320 382 2HB ASP 49 3HB ASP 49 -8.607 -11.409 -4.268 383 HA PRO 50 HA PRO 50 -10.488 -7.222 -1.810 384 1HB PRO 50 2HB PRO 50 -12.810 -6.383 -2.906 385 2HB PRO 50 3HB PRO 50 -11.237 -5.746 -3.453 386 1HG PRO 50 2HG PRO 50 -12.800 -8.030 -4.710 387 2HG PRO 50 3HG PRO 50 -12.211 -6.545 -5.513 388 1HD PRO 50 2HD PRO 50 -10.769 -8.874 -5.539 389 2HD PRO 50 3HD PRO 50 -9.958 -7.287 -5.391 390 H GLU 51 H GLU 51 -10.368 -9.717 -1.195 391 HA GLU 51 HA GLU 51 -12.966 -10.294 0.009 392 1HB GLU 51 2HB GLU 51 -12.652 -12.788 -0.879 393 2HB GLU 51 3HB GLU 51 -13.611 -11.593 -1.742 394 1HG GLU 51 2HG GLU 51 -12.039 -11.276 -3.436 395 2HG GLU 51 3HG GLU 51 -10.700 -11.976 -2.531 396 H ILE 52 H ILE 52 -10.144 -12.359 -0.679 397 HA ILE 52 HA ILE 52 -9.906 -13.349 1.923 398 HB ILE 52 HB ILE 52 -7.602 -14.019 1.230 399 1HG1 ILE 52 2HG1 ILE 52 -8.267 -12.783 -1.481 400 2HG1 ILE 52 3HG1 ILE 52 -7.190 -12.026 -0.298 401 1HG2 ILE 52 1HG2 ILE 52 -8.409 -15.658 -0.406 402 2HG2 ILE 52 2HG2 ILE 52 -9.655 -15.374 0.809 403 3HG2 ILE 52 3HG2 ILE 52 -9.800 -14.630 -0.794 404 1HD1 ILE 52 1HD1 ILE 52 -5.703 -13.993 -0.351 405 2HD1 ILE 52 2HD1 ILE 52 -6.746 -14.749 -1.583 406 3HD1 ILE 52 3HD1 ILE 52 -5.901 -13.246 -1.948 407 H ILE 53 H ILE 53 -8.746 -10.292 0.741 408 HA ILE 53 HA ILE 53 -7.559 -9.698 3.395 409 HB ILE 53 HB ILE 53 -5.824 -10.454 1.707 410 1HG1 ILE 53 2HG1 ILE 53 -5.347 -7.574 2.507 411 2HG1 ILE 53 3HG1 ILE 53 -5.456 -8.874 3.715 412 1HG2 ILE 53 1HG2 ILE 53 -5.191 -8.953 -0.123 413 2HG2 ILE 53 2HG2 ILE 53 -6.898 -9.353 -0.293 414 3HG2 ILE 53 3HG2 ILE 53 -6.409 -7.782 0.383 415 1HD1 ILE 53 1HD1 ILE 53 -3.641 -10.090 2.735 416 2HD1 ILE 53 2HD1 ILE 53 -3.582 -9.000 1.340 417 3HD1 ILE 53 3HD1 ILE 53 -3.115 -8.403 2.937 418 H GLY 54 H GLY 54 -7.294 -7.285 3.634 419 1HA GLY 54 2HA GLY 54 -9.244 -5.669 2.136 420 2HA GLY 54 1HA GLY 54 -9.629 -6.060 3.827 421 HA PRO 55 HA PRO 55 -6.825 -2.313 3.137 422 1HB PRO 55 2HB PRO 55 -8.209 -0.459 4.665 423 2HB PRO 55 3HB PRO 55 -8.514 -0.791 2.939 424 1HG PRO 55 2HG PRO 55 -9.989 -1.933 5.320 425 2HG PRO 55 3HG PRO 55 -10.678 -1.228 3.829 426 1HD PRO 55 2HD PRO 55 -10.438 -3.905 4.117 427 2HD PRO 55 3HD PRO 55 -10.079 -3.135 2.548 428 H ARG 56 H ARG 56 -8.384 -3.397 6.197 429 HA ARG 56 HA ARG 56 -6.516 -2.170 7.858 430 1HB ARG 56 2HB ARG 56 -8.631 -2.993 8.685 431 2HB ARG 56 3HB ARG 56 -8.085 -4.681 8.524 432 1HG ARG 56 2HG ARG 56 -6.391 -4.405 10.182 433 2HG ARG 56 3HG ARG 56 -6.411 -2.644 10.029 434 1HD ARG 56 2HD ARG 56 -8.668 -2.591 11.059 435 2HD ARG 56 3HD ARG 56 -8.507 -4.329 11.418 436 HE ARG 56 HE ARG 56 -6.206 -3.559 12.436 437 1HH1 ARG 56 2HH2 ARG 56 -9.205 -1.749 12.916 438 2HH1 ARG 56 1HH2 ARG 56 -8.486 -0.632 14.040 439 1HH2 ARG 56 2HH1 ARG 56 -5.278 -2.194 13.756 440 2HH2 ARG 56 1HH1 ARG 56 -6.136 -0.919 14.606 441 H ASP 57 H ASP 57 -6.224 -5.329 6.176 442 HA ASP 57 HA ASP 57 -3.994 -6.288 7.699 443 1HB ASP 57 2HB ASP 57 -5.386 -7.688 6.192 444 2HB ASP 57 3HB ASP 57 -4.739 -6.806 4.793 445 H ILE 58 H ILE 58 -4.249 -4.500 4.621 446 HA ILE 58 HA ILE 58 -1.489 -4.087 4.142 447 HB ILE 58 HB ILE 58 -3.770 -2.172 3.520 448 1HG1 ILE 58 2HG1 ILE 58 -2.563 -4.222 1.620 449 2HG1 ILE 58 3HG1 ILE 58 -3.994 -4.582 2.595 450 1HG2 ILE 58 1HG2 ILE 58 -2.224 -1.344 1.729 451 2HG2 ILE 58 2HG2 ILE 58 -1.555 -1.094 3.326 452 3HG2 ILE 58 3HG2 ILE 58 -0.972 -2.442 2.329 453 1HD1 ILE 58 1HD1 ILE 58 -4.735 -3.801 0.473 454 2HD1 ILE 58 2HD1 ILE 58 -5.138 -2.578 1.704 455 3HD1 ILE 58 3HD1 ILE 58 -3.788 -2.300 0.604 456 H ILE 59 H ILE 59 -3.891 -2.062 5.913 457 HA ILE 59 HA ILE 59 -2.132 -0.026 6.584 458 HB ILE 59 HB ILE 59 -4.656 -1.055 7.758 459 1HG1 ILE 59 2HG1 ILE 59 -4.066 1.725 6.722 460 2HG1 ILE 59 3HG1 ILE 59 -4.367 0.371 5.624 461 1HG2 ILE 59 1HG2 ILE 59 -3.610 -0.338 9.796 462 2HG2 ILE 59 2HG2 ILE 59 -3.014 1.150 9.053 463 3HG2 ILE 59 3HG2 ILE 59 -4.747 0.919 9.332 464 1HD1 ILE 59 1HD1 ILE 59 -6.430 1.524 5.985 465 2HD1 ILE 59 2HD1 ILE 59 -6.533 -0.067 6.755 466 3HD1 ILE 59 3HD1 ILE 59 -6.287 1.387 7.749 467 H HIS 60 H HIS 60 -2.846 -2.996 8.478 468 HA HIS 60 HA HIS 60 -1.094 -2.424 10.686 469 1HB HIS 60 2HB HIS 60 -2.301 -4.942 9.501 470 2HB HIS 60 3HB HIS 60 -1.026 -5.053 10.711 471 HD1 HIS 60 1HD HIS 60 -2.364 -5.920 12.713 472 HD2 HIS 60 2HD HIS 60 -3.898 -2.419 10.955 473 HE1 HIS 60 1HE HIS 60 -4.187 -5.056 14.279 474 H THR 61 H THR 61 -0.632 -4.043 7.570 475 HA THR 61 HA THR 61 2.051 -4.887 8.002 476 HB THR 61 HB THR 61 0.519 -4.226 5.465 477 HG1 THR 61 1HG THR 61 -0.430 -5.910 6.425 478 1HG2 THR 61 1HG2 THR 61 2.949 -4.248 4.943 479 2HG2 THR 61 2HG2 THR 61 3.125 -5.780 5.834 480 3HG2 THR 61 3HG2 THR 61 2.167 -5.719 4.341 481 H ILE 62 H ILE 62 0.829 -1.869 6.421 482 HA ILE 62 HA ILE 62 3.472 -0.829 5.969 483 HB ILE 62 HB ILE 62 0.753 0.514 6.000 484 1HG1 ILE 62 2HG1 ILE 62 0.833 -1.171 4.247 485 2HG1 ILE 62 3HG1 ILE 62 0.905 0.436 3.546 486 1HG2 ILE 62 1HG2 ILE 62 2.396 2.235 6.301 487 2HG2 ILE 62 2HG2 ILE 62 3.448 1.540 5.054 488 3HG2 ILE 62 3HG2 ILE 62 1.897 2.279 4.610 489 1HD1 ILE 62 1HD1 ILE 62 3.181 -1.561 3.865 490 2HD1 ILE 62 2HD1 ILE 62 2.424 -0.994 2.374 491 3HD1 ILE 62 3HD1 ILE 62 3.419 0.122 3.325 492 H GLU 63 H GLU 63 1.106 -0.327 8.627 493 HA GLU 63 HA GLU 63 2.615 1.516 10.163 494 1HB GLU 63 2HB GLU 63 0.765 -0.768 10.969 495 2HB GLU 63 3HB GLU 63 1.471 0.368 12.121 496 1HG GLU 63 2HG GLU 63 0.386 2.258 11.047 497 2HG GLU 63 3HG GLU 63 -0.268 1.231 9.771 498 H SER 64 H SER 64 2.756 -2.087 10.056 499 HA SER 64 HA SER 64 4.890 -2.330 11.915 500 1HB SER 64 2HB SER 64 4.200 -4.232 9.639 501 2HB SER 64 3HB SER 64 5.183 -4.582 11.066 502 HG SER 64 HG SER 64 2.434 -3.844 11.037 503 H LEU 65 H LEU 65 4.990 -1.980 8.322 504 HA LEU 65 HA LEU 65 7.860 -2.150 8.144 505 1HB LEU 65 2HB LEU 65 5.937 -0.603 6.363 506 2HB LEU 65 3HB LEU 65 7.635 -0.940 6.017 507 HG LEU 65 HG LEU 65 5.385 -2.974 6.173 508 1HD1 LEU 65 1HD1 LEU 65 7.213 -2.156 3.883 509 2HD1 LEU 65 2HD1 LEU 65 5.837 -3.279 3.814 510 3HD1 LEU 65 3HD1 LEU 65 5.561 -1.554 4.119 511 1HD2 LEU 65 1HD2 LEU 65 8.370 -3.440 5.778 512 2HD2 LEU 65 2HD2 LEU 65 7.358 -4.062 7.107 513 3HD2 LEU 65 3HD2 LEU 65 7.095 -4.638 5.465 514 H GLY 66 H GLY 66 5.678 0.549 8.868 515 1HA GLY 66 2HA GLY 66 6.399 2.095 10.548 516 2HA GLY 66 1HA GLY 66 8.045 2.066 9.919 517 H PHE 67 H PHE 67 4.827 2.493 8.323 518 HA PHE 67 HA PHE 67 5.435 5.352 7.865 519 1HB PHE 67 2HB PHE 67 4.217 3.617 5.699 520 2HB PHE 67 3HB PHE 67 4.732 5.283 5.582 521 HD1 PHE 67 1HD PHE 67 7.203 5.812 5.514 522 HD2 PHE 67 2HD PHE 67 5.796 1.752 5.487 523 HE1 PHE 67 1HE PHE 67 9.376 5.070 4.562 524 HE2 PHE 67 2HE PHE 67 7.968 1.007 4.549 525 HZ PHE 67 HZ PHE 67 9.748 2.672 4.051 526 H GLU 68 H GLU 68 3.297 6.539 7.570 527 HA GLU 68 HA GLU 68 1.161 5.224 9.123 528 1HB GLU 68 2HB GLU 68 1.352 8.052 8.094 529 2HB GLU 68 3HB GLU 68 0.297 7.409 9.327 530 1HG GLU 68 2HG GLU 68 2.154 7.216 10.893 531 2HG GLU 68 3HG GLU 68 3.334 7.591 9.620 532 HA PRO 69 HA PRO 69 -0.826 5.002 4.937 533 1HB PRO 69 2HB PRO 69 -2.363 2.825 5.251 534 2HB PRO 69 3HB PRO 69 -0.586 2.691 5.072 535 1HG PRO 69 2HG PRO 69 -2.214 2.618 7.604 536 2HG PRO 69 3HG PRO 69 -0.876 1.540 7.122 537 1HD PRO 69 2HD PRO 69 -0.573 3.722 8.797 538 2HD PRO 69 3HD PRO 69 0.715 3.055 7.756 539 H SER 70 H SER 70 -2.650 6.263 4.470 540 HA SER 70 HA SER 70 -5.072 5.914 6.156 541 1HB SER 70 2HB SER 70 -3.811 7.868 7.074 542 2HB SER 70 3HB SER 70 -3.906 8.645 5.476 543 HG SER 70 HG SER 70 -5.616 9.282 6.908 544 H LEU 71 H LEU 71 -6.894 5.791 4.855 545 HA LEU 71 HA LEU 71 -6.668 5.300 2.122 546 1HB LEU 71 2HB LEU 71 -9.035 6.166 3.829 547 2HB LEU 71 3HB LEU 71 -9.158 5.510 2.200 548 HG LEU 71 HG LEU 71 -9.697 3.920 3.904 549 1HD1 LEU 71 1HD1 LEU 71 -7.136 3.051 2.497 550 2HD1 LEU 71 2HD1 LEU 71 -8.469 2.009 3.027 551 3HD1 LEU 71 3HD1 LEU 71 -8.726 3.171 1.713 552 1HD2 LEU 71 1HD2 LEU 71 -8.303 2.849 5.426 553 2HD2 LEU 71 2HD2 LEU 71 -6.868 3.741 4.907 554 3HD2 LEU 71 3HD2 LEU 71 -8.210 4.583 5.743 555 H VAL 72 H VAL 72 -6.609 6.616 0.312 556 HA VAL 72 HA VAL 72 -6.830 9.532 0.814 557 HB VAL 72 HB VAL 72 -4.897 8.473 -0.448 558 1HG1 VAL 72 1HG1 VAL 72 -6.327 7.112 -2.003 559 2HG1 VAL 72 2HG1 VAL 72 -6.801 8.611 -2.821 560 3HG1 VAL 72 3HG1 VAL 72 -5.102 8.119 -2.805 561 1HG2 VAL 72 1HG2 VAL 72 -5.330 10.908 -0.318 562 2HG2 VAL 72 2HG2 VAL 72 -4.689 10.443 -1.903 563 3HG2 VAL 72 3HG2 VAL 72 -6.419 10.792 -1.713 564 H LYS 73 H LYS 73 -8.407 6.963 -1.096 565 HA LYS 73 HA LYS 73 -10.922 8.121 -0.979 566 1HB LYS 73 2HB LYS 73 -9.369 8.607 -3.540 567 2HB LYS 73 3HB LYS 73 -11.050 8.215 -3.721 568 1HG LYS 73 2HG LYS 73 -9.865 10.690 -2.608 569 2HG LYS 73 3HG LYS 73 -11.142 10.463 -3.786 570 1HD LYS 73 2HD LYS 73 -11.312 10.263 -0.763 571 2HD LYS 73 3HD LYS 73 -12.085 11.439 -1.797 572 1HE LYS 73 2HE LYS 73 -13.834 10.015 -2.398 573 2HE LYS 73 3HE LYS 73 -12.861 8.555 -2.239 574 1HZ LYS 73 1HZ LYS 73 -13.933 10.065 0.053 575 2HZ LYS 73 2HZ LYS 73 -14.333 8.527 -0.431 576 3HZ LYS 73 3HZ LYS 73 -12.907 8.764 0.133 577 H ILE 74 H ILE 74 -12.129 6.708 -3.128 578 HA ILE 74 HA ILE 74 -12.951 4.723 -3.633 579 HB ILE 74 HB ILE 74 -10.673 3.313 -2.191 580 1HG1 ILE 74 2HG1 ILE 74 -9.735 4.565 -4.066 581 2HG1 ILE 74 3HG1 ILE 74 -9.802 2.851 -4.441 582 1HG2 ILE 74 1HG2 ILE 74 -12.598 1.909 -2.296 583 2HG2 ILE 74 2HG2 ILE 74 -12.901 2.318 -3.993 584 3HG2 ILE 74 3HG2 ILE 74 -11.466 1.374 -3.544 585 1HD1 ILE 74 1HD1 ILE 74 -10.427 4.115 -6.389 586 2HD1 ILE 74 2HD1 ILE 74 -11.845 3.221 -5.823 587 3HD1 ILE 74 3HD1 ILE 74 -11.702 4.970 -5.512 588 H GLU 75 H GLU 75 -11.547 4.731 -0.346 589 HA GLU 75 HA GLU 75 -14.263 4.549 0.839 590 1HB GLU 75 2HB GLU 75 -11.656 5.321 2.198 591 2HB GLU 75 3HB GLU 75 -13.165 4.759 2.932 592 1HG GLU 75 2HG GLU 75 -11.206 3.098 1.269 593 2HG GLU 75 3HG GLU 75 -11.523 2.966 3.002 Start of MODEL 30 1 1H MET 1 H1 MET 1 -13.077 -12.171 -5.473 2 2H MET 1 H2 MET 1 -14.064 -13.030 -4.610 3 3H MET 1 H3 MET 1 -13.811 -13.466 -6.206 4 HA MET 1 HA MET 1 -15.935 -12.391 -6.070 5 1HB MET 1 2HB MET 1 -15.524 -11.172 -3.986 6 2HB MET 1 3HB MET 1 -14.338 -10.129 -4.771 7 1HG MET 1 2HG MET 1 -16.489 -9.000 -4.501 8 2HG MET 1 3HG MET 1 -16.098 -9.176 -6.211 9 1HE MET 1 1HE MET 1 -19.984 -9.331 -6.254 10 2HE MET 1 2HE MET 1 -18.947 -8.311 -5.230 11 3HE MET 1 3HE MET 1 -18.529 -8.576 -6.943 12 H GLY 2 H GLY 2 -13.233 -10.002 -6.599 13 1HA GLY 2 2HA GLY 2 -12.807 -10.510 -9.314 14 2HA GLY 2 1HA GLY 2 -14.046 -9.233 -9.182 15 H ASP 3 H ASP 3 -11.559 -8.533 -10.256 16 HA ASP 3 HA ASP 3 -9.516 -7.810 -8.639 17 1HB ASP 3 2HB ASP 3 -10.618 -6.083 -10.895 18 2HB ASP 3 3HB ASP 3 -8.939 -6.187 -10.342 19 H GLY 4 H GLY 4 -8.846 -5.862 -7.573 20 1HA GLY 4 2HA GLY 4 -10.748 -3.660 -7.243 21 2HA GLY 4 1HA GLY 4 -10.302 -4.534 -5.759 22 H VAL 5 H VAL 5 -9.670 -1.774 -6.428 23 HA VAL 5 HA VAL 5 -6.856 -1.947 -5.770 24 HB VAL 5 HB VAL 5 -6.692 -1.530 -8.144 25 1HG1 VAL 5 1HG1 VAL 5 -8.959 -0.618 -8.591 26 2HG1 VAL 5 2HG1 VAL 5 -8.501 0.899 -7.784 27 3HG1 VAL 5 3HG1 VAL 5 -7.677 0.397 -9.268 28 1HG2 VAL 5 1HG2 VAL 5 -5.431 0.548 -8.136 29 2HG2 VAL 5 2HG2 VAL 5 -6.256 1.106 -6.670 30 3HG2 VAL 5 3HG2 VAL 5 -5.164 -0.289 -6.595 31 H LEU 6 H LEU 6 -6.465 -0.671 -4.042 32 HA LEU 6 HA LEU 6 -8.400 1.515 -3.435 33 1HB LEU 6 2HB LEU 6 -7.515 -0.663 -1.496 34 2HB LEU 6 3HB LEU 6 -8.182 0.899 -1.024 35 HG LEU 6 HG LEU 6 -10.141 0.217 -2.730 36 1HD1 LEU 6 1HD1 LEU 6 -9.221 -2.481 -1.646 37 2HD1 LEU 6 2HD1 LEU 6 -10.699 -2.158 -2.565 38 3HD1 LEU 6 3HD1 LEU 6 -9.121 -2.003 -3.343 39 1HD2 LEU 6 1HD2 LEU 6 -10.461 0.832 -0.397 40 2HD2 LEU 6 2HD2 LEU 6 -11.404 -0.619 -0.777 41 3HD2 LEU 6 3HD2 LEU 6 -9.888 -0.760 0.137 42 H GLU 7 H GLU 7 -7.535 3.167 -2.150 43 HA GLU 7 HA GLU 7 -4.625 3.489 -2.639 44 1HB GLU 7 2HB GLU 7 -6.887 5.442 -3.053 45 2HB GLU 7 3HB GLU 7 -5.183 5.800 -3.282 46 1HG GLU 7 2HG GLU 7 -5.042 4.133 -5.075 47 2HG GLU 7 3HG GLU 7 -6.751 3.718 -4.881 48 H LEU 8 H LEU 8 -3.462 4.295 -1.028 49 HA LEU 8 HA LEU 8 -4.778 5.548 1.299 50 1HB LEU 8 2HB LEU 8 -3.256 4.024 2.747 51 2HB LEU 8 3HB LEU 8 -4.762 3.343 2.175 52 HG LEU 8 HG LEU 8 -2.381 2.922 0.416 53 1HD1 LEU 8 1HD1 LEU 8 -1.655 0.992 1.715 54 2HD1 LEU 8 2HD1 LEU 8 -1.445 2.492 2.638 55 3HD1 LEU 8 3HD1 LEU 8 -2.805 1.402 3.009 56 1HD2 LEU 8 1HD2 LEU 8 -4.651 1.091 1.337 57 2HD2 LEU 8 2HD2 LEU 8 -4.631 1.974 -0.198 58 3HD2 LEU 8 3HD2 LEU 8 -3.439 0.710 0.102 59 H VAL 9 H VAL 9 -3.564 7.090 2.260 60 HA VAL 9 HA VAL 9 -1.124 7.983 0.899 61 HB VAL 9 HB VAL 9 -2.400 9.024 3.455 62 1HG1 VAL 9 1HG1 VAL 9 -1.098 11.045 2.983 63 2HG1 VAL 9 2HG1 VAL 9 0.001 9.659 3.065 64 3HG1 VAL 9 3HG1 VAL 9 -0.462 10.331 1.488 65 1HG2 VAL 9 1HG2 VAL 9 -2.791 9.912 0.563 66 2HG2 VAL 9 2HG2 VAL 9 -4.018 9.240 1.664 67 3HG2 VAL 9 3HG2 VAL 9 -3.322 10.828 1.991 68 H VAL 10 H VAL 10 0.905 7.260 1.580 69 HA VAL 10 HA VAL 10 1.114 5.605 4.049 70 HB VAL 10 HB VAL 10 3.084 4.684 2.812 71 1HG1 VAL 10 1HG1 VAL 10 0.340 4.171 1.585 72 2HG1 VAL 10 2HG1 VAL 10 1.719 3.051 1.589 73 3HG1 VAL 10 3HG1 VAL 10 0.920 3.484 3.112 74 1HG2 VAL 10 1HG2 VAL 10 1.724 5.760 0.309 75 2HG2 VAL 10 2HG2 VAL 10 3.230 6.407 0.984 76 3HG2 VAL 10 3HG2 VAL 10 3.159 4.732 0.405 77 H ARG 11 H ARG 11 1.179 7.807 5.089 78 HA ARG 11 HA ARG 11 3.250 9.591 4.049 79 1HB ARG 11 2HB ARG 11 2.629 11.175 5.741 80 2HB ARG 11 3HB ARG 11 1.249 10.635 4.788 81 1HG ARG 11 2HG ARG 11 0.489 9.191 6.628 82 2HG ARG 11 3HG ARG 11 1.906 9.650 7.597 83 1HD ARG 11 2HD ARG 11 -0.226 11.581 6.585 84 2HD ARG 11 3HD ARG 11 -0.196 10.893 8.202 85 HE ARG 11 HE ARG 11 1.513 13.014 7.094 86 1HH1 ARG 11 2HH2 ARG 11 1.047 10.751 9.797 87 2HH1 ARG 11 1HH2 ARG 11 2.501 11.038 10.520 88 1HH2 ARG 11 2HH1 ARG 11 3.308 13.838 8.355 89 2HH2 ARG 11 1HH1 ARG 11 3.587 13.185 9.943 90 H GLY 12 H GLY 12 5.247 9.921 4.767 91 1HA GLY 12 2HA GLY 12 6.808 9.644 6.814 92 2HA GLY 12 1HA GLY 12 6.321 7.942 6.717 93 H MET 13 H MET 13 6.109 7.606 3.866 94 HA MET 13 HA MET 13 8.969 7.297 3.376 95 1HB MET 13 2HB MET 13 8.323 5.905 1.604 96 2HB MET 13 3HB MET 13 7.247 5.532 2.945 97 1HG MET 13 2HG MET 13 5.776 5.558 1.232 98 2HG MET 13 3HG MET 13 5.662 7.267 1.648 99 1HE MET 13 1HE MET 13 4.807 5.745 -0.959 100 2HE MET 13 2HE MET 13 4.511 7.466 -0.666 101 3HE MET 13 3HE MET 13 5.215 6.932 -2.224 102 H THR 14 H THR 14 10.163 8.391 1.784 103 HA THR 14 HA THR 14 8.819 10.363 0.060 104 HB THR 14 HB THR 14 8.875 11.472 2.248 105 HG1 THR 14 1HG THR 14 10.607 12.463 0.262 106 1HG2 THR 14 1HG2 THR 14 11.000 12.156 3.261 107 2HG2 THR 14 2HG2 THR 14 10.849 10.393 3.260 108 3HG2 THR 14 3HG2 THR 14 11.911 11.196 2.083 109 H CYS 15 H CYS 15 10.882 7.969 -0.166 110 HA CYS 15 HA CYS 15 12.394 9.273 -2.257 111 1HB CYS 15 2HB CYS 15 14.590 8.317 -1.191 112 2HB CYS 15 3HB CYS 15 13.995 9.920 -0.774 113 H ALA 16 H ALA 16 13.453 7.810 -3.582 114 HA ALA 16 HA ALA 16 11.986 5.710 -4.457 115 1HB ALA 16 1HB ALA 16 13.954 5.041 -5.773 116 2HB ALA 16 2HB ALA 16 13.763 6.805 -5.743 117 3HB ALA 16 3HB ALA 16 15.001 6.026 -4.729 118 H SER 17 H SER 17 14.585 5.512 -2.072 119 HA SER 17 HA SER 17 14.971 2.765 -1.840 120 1HB SER 17 2HB SER 17 16.219 4.541 -0.596 121 2HB SER 17 3HB SER 17 14.819 4.733 0.480 122 HG SER 17 HG SER 17 16.229 2.296 0.030 123 H CYS 18 H CYS 18 12.418 4.810 -0.297 124 HA CYS 18 HA CYS 18 11.287 2.560 1.145 125 1HB CYS 18 2HB CYS 18 10.127 5.285 0.536 126 2HB CYS 18 3HB CYS 18 9.559 4.103 1.739 127 H VAL 19 H VAL 19 10.790 4.116 -2.005 128 HA VAL 19 HA VAL 19 8.131 3.232 -2.506 129 HB VAL 19 HB VAL 19 10.432 3.754 -4.450 130 1HG1 VAL 19 1HG1 VAL 19 7.452 3.716 -5.023 131 2HG1 VAL 19 2HG1 VAL 19 8.743 4.138 -6.154 132 3HG1 VAL 19 3HG1 VAL 19 8.614 2.482 -5.551 133 1HG2 VAL 19 1HG2 VAL 19 9.414 5.978 -4.700 134 2HG2 VAL 19 2HG2 VAL 19 8.242 5.586 -3.417 135 3HG2 VAL 19 3HG2 VAL 19 9.975 5.690 -3.049 136 H HIS 20 H HIS 20 11.300 1.893 -3.607 137 HA HIS 20 HA HIS 20 10.024 -0.481 -4.560 138 1HB HIS 20 2HB HIS 20 12.271 -1.249 -5.011 139 2HB HIS 20 3HB HIS 20 11.862 0.330 -5.682 140 HD1 HIS 20 1HD HIS 20 14.152 1.410 -5.921 141 HD2 HIS 20 2HD HIS 20 13.532 -0.478 -2.226 142 HE1 HIS 20 1HE HIS 20 16.300 1.716 -4.575 143 H LYS 21 H LYS 21 11.543 0.341 -1.365 144 HA LYS 21 HA LYS 21 11.467 -2.240 -0.364 145 1HB LYS 21 2HB LYS 21 12.257 0.050 0.666 146 2HB LYS 21 3HB LYS 21 10.636 0.136 1.362 147 1HG LYS 21 2HG LYS 21 12.550 -2.205 1.541 148 2HG LYS 21 3HG LYS 21 12.575 -0.877 2.695 149 1HD LYS 21 2HD LYS 21 10.522 -1.422 3.676 150 2HD LYS 21 3HD LYS 21 9.966 -2.366 2.298 151 1HE LYS 21 2HE LYS 21 11.674 -4.116 2.758 152 2HE LYS 21 3HE LYS 21 12.225 -3.194 4.166 153 1HZ LYS 21 1HZ LYS 21 10.742 -4.943 4.791 154 2HZ LYS 21 2HZ LYS 21 10.047 -3.499 5.128 155 3HZ LYS 21 3HZ LYS 21 9.521 -4.399 3.846 156 H ILE 22 H ILE 22 8.812 0.241 -0.239 157 HA ILE 22 HA ILE 22 6.903 -1.405 1.019 158 HB ILE 22 HB ILE 22 6.507 0.857 -0.992 159 1HG1 ILE 22 2HG1 ILE 22 6.004 0.873 1.987 160 2HG1 ILE 22 3HG1 ILE 22 7.622 1.192 1.350 161 1HG2 ILE 22 1HG2 ILE 22 4.465 -0.425 -1.006 162 2HG2 ILE 22 2HG2 ILE 22 4.539 -0.706 0.747 163 3HG2 ILE 22 3HG2 ILE 22 4.161 0.898 0.119 164 1HD1 ILE 22 1HD1 ILE 22 5.168 2.841 0.642 165 2HD1 ILE 22 2HD1 ILE 22 6.433 3.275 1.802 166 3HD1 ILE 22 3HD1 ILE 22 6.839 3.109 0.091 167 H GLU 23 H GLU 23 7.499 -0.852 -2.465 168 HA GLU 23 HA GLU 23 5.572 -2.550 -3.501 169 1HB GLU 23 2HB GLU 23 7.273 -0.909 -4.638 170 2HB GLU 23 3HB GLU 23 8.321 -2.324 -4.781 171 1HG GLU 23 2HG GLU 23 6.405 -3.487 -5.966 172 2HG GLU 23 3HG GLU 23 5.501 -1.959 -5.853 173 H SER 24 H SER 24 9.008 -3.481 -3.026 174 HA SER 24 HA SER 24 8.684 -6.218 -3.616 175 1HB SER 24 2HB SER 24 10.721 -4.996 -1.702 176 2HB SER 24 3HB SER 24 10.866 -6.504 -2.629 177 HG SER 24 HG SER 24 10.823 -3.830 -3.582 178 H SER 25 H SER 25 8.445 -4.469 -0.552 179 HA SER 25 HA SER 25 8.421 -6.755 1.157 180 1HB SER 25 2HB SER 25 9.090 -4.426 1.685 181 2HB SER 25 3HB SER 25 7.378 -3.951 1.741 182 HG SER 25 HG SER 25 7.210 -5.474 3.492 183 H LEU 26 H LEU 26 5.788 -4.834 -0.398 184 HA LEU 26 HA LEU 26 3.692 -6.434 0.829 185 1HB LEU 26 2HB LEU 26 3.739 -4.506 -1.498 186 2HB LEU 26 3HB LEU 26 2.281 -5.388 -1.025 187 HG LEU 26 HG LEU 26 3.806 -3.679 0.954 188 1HD1 LEU 26 1HD1 LEU 26 3.087 -2.326 -0.992 189 2HD1 LEU 26 2HD1 LEU 26 1.432 -2.940 -0.775 190 3HD1 LEU 26 3HD1 LEU 26 2.171 -1.903 0.469 191 1HD2 LEU 26 1HD2 LEU 26 2.207 -5.280 1.970 192 2HD2 LEU 26 2HD2 LEU 26 1.631 -3.622 2.135 193 3HD2 LEU 26 3HD2 LEU 26 0.925 -4.674 0.898 194 H THR 27 H THR 27 5.145 -6.363 -2.456 195 HA THR 27 HA THR 27 3.359 -8.264 -3.537 196 HB THR 27 HB THR 27 4.964 -8.352 -5.455 197 HG1 THR 27 1HG THR 27 6.343 -6.347 -4.006 198 1HG2 THR 27 1HG2 THR 27 4.097 -5.604 -4.446 199 2HG2 THR 27 2HG2 THR 27 4.577 -5.996 -6.107 200 3HG2 THR 27 3HG2 THR 27 3.129 -6.740 -5.409 201 H LYS 28 H LYS 28 3.394 -9.775 -1.907 202 HA LYS 28 HA LYS 28 4.675 -12.258 -2.508 203 1HB LYS 28 2HB LYS 28 6.036 -12.575 -0.551 204 2HB LYS 28 3HB LYS 28 6.626 -11.151 -1.405 205 1HG LYS 28 2HG LYS 28 5.332 -9.717 0.227 206 2HG LYS 28 3HG LYS 28 4.916 -11.208 1.109 207 1HD LYS 28 2HD LYS 28 7.560 -11.572 1.056 208 2HD LYS 28 3HD LYS 28 7.575 -9.822 0.825 209 1HE LYS 28 2HE LYS 28 6.460 -11.453 3.161 210 2HE LYS 28 3HE LYS 28 7.755 -10.249 3.196 211 1HZ LYS 28 1HZ LYS 28 6.037 -8.593 2.608 212 2HZ LYS 28 2HZ LYS 28 4.883 -9.732 2.770 213 3HZ LYS 28 3HZ LYS 28 5.776 -9.298 4.080 214 H HIS 29 H HIS 29 2.879 -10.213 -0.099 215 HA HIS 29 HA HIS 29 1.992 -12.538 1.340 216 1HB HIS 29 2HB HIS 29 0.742 -11.050 2.689 217 2HB HIS 29 3HB HIS 29 2.307 -10.306 2.341 218 HD1 HIS 29 1HD HIS 29 -1.362 -10.000 1.102 219 HD2 HIS 29 2HD HIS 29 2.132 -7.806 1.922 220 HE1 HIS 29 1HE HIS 29 -1.994 -7.578 0.936 221 H ARG 30 H ARG 30 -0.415 -12.777 1.840 222 HA ARG 30 HA ARG 30 -1.726 -13.836 -0.358 223 1HB ARG 30 2HB ARG 30 -3.762 -13.819 1.020 224 2HB ARG 30 3HB ARG 30 -2.354 -14.475 1.857 225 1HG ARG 30 2HG ARG 30 -2.120 -12.430 3.200 226 2HG ARG 30 3HG ARG 30 -3.412 -11.644 2.277 227 1HD ARG 30 2HD ARG 30 -5.020 -13.335 2.996 228 2HD ARG 30 3HD ARG 30 -3.758 -14.133 3.971 229 HE ARG 30 HE ARG 30 -3.905 -11.409 4.851 230 1HH1 ARG 30 2HH2 ARG 30 -6.066 -14.195 4.706 231 2HH1 ARG 30 1HH2 ARG 30 -6.917 -13.784 6.160 232 1HH2 ARG 30 2HH1 ARG 30 -4.964 -10.836 6.602 233 2HH2 ARG 30 1HH1 ARG 30 -6.301 -11.747 7.312 234 H GLY 31 H GLY 31 -2.786 -13.002 -2.077 235 1HA GLY 31 2HA GLY 31 -4.390 -11.851 -3.132 236 2HA GLY 31 1HA GLY 31 -4.785 -11.083 -1.601 237 H ILE 32 H ILE 32 -1.730 -9.725 -1.732 238 HA ILE 32 HA ILE 32 -2.671 -7.511 -3.208 239 HB ILE 32 HB ILE 32 -1.301 -7.339 -1.288 240 1HG1 ILE 32 2HG1 ILE 32 -1.346 -5.802 -3.269 241 2HG1 ILE 32 3HG1 ILE 32 -0.299 -5.550 -1.854 242 1HG2 ILE 32 1HG2 ILE 32 1.038 -8.523 -2.796 243 2HG2 ILE 32 2HG2 ILE 32 1.037 -7.698 -1.228 244 3HG2 ILE 32 3HG2 ILE 32 0.194 -9.250 -1.415 245 1HD1 ILE 32 1HD1 ILE 32 0.642 -6.625 -4.557 246 2HD1 ILE 32 2HD1 ILE 32 0.888 -4.985 -3.929 247 3HD1 ILE 32 3HD1 ILE 32 1.671 -6.341 -3.136 248 H LEU 33 H LEU 33 -2.941 -7.592 -5.425 249 HA LEU 33 HA LEU 33 -1.311 -9.405 -7.016 250 1HB LEU 33 2HB LEU 33 -3.164 -7.215 -8.007 251 2HB LEU 33 3HB LEU 33 -2.540 -8.591 -8.898 252 HG LEU 33 HG LEU 33 -4.502 -8.762 -6.559 253 1HD1 LEU 33 1HD1 LEU 33 -5.468 -7.783 -8.601 254 2HD1 LEU 33 2HD1 LEU 33 -4.861 -9.150 -9.562 255 3HD1 LEU 33 3HD1 LEU 33 -6.103 -9.412 -8.325 256 1HD2 LEU 33 1HD2 LEU 33 -3.134 -10.784 -6.613 257 2HD2 LEU 33 2HD2 LEU 33 -4.725 -11.143 -7.291 258 3HD2 LEU 33 3HD2 LEU 33 -3.339 -10.921 -8.377 259 H TYR 34 H TYR 34 -1.355 -5.799 -6.342 260 HA TYR 34 HA TYR 34 1.347 -5.744 -7.141 261 1HB TYR 34 2HB TYR 34 0.241 -5.680 -9.441 262 2HB TYR 34 3HB TYR 34 -0.551 -4.185 -8.948 263 HD1 TYR 34 HD1 TYR 34 0.450 -2.357 -10.078 264 HD2 TYR 34 HD2 TYR 34 2.980 -5.558 -8.660 265 HE1 TYR 34 HE1 TYR 34 2.464 -1.113 -10.801 266 HE2 TYR 34 HE2 TYR 34 4.971 -4.164 -9.101 267 HH TYR 34 HH TYR 34 5.656 -1.960 -9.549 268 H CYS 35 H CYS 35 2.263 -3.578 -6.874 269 HA CYS 35 HA CYS 35 0.769 -1.874 -4.943 270 1HB CYS 35 2HB CYS 35 2.400 -3.217 -3.649 271 2HB CYS 35 3HB CYS 35 3.632 -2.945 -4.897 272 HG CYS 35 HG CYS 35 2.195 -0.906 -2.803 273 H SER 36 H SER 36 0.938 0.325 -5.549 274 HA SER 36 HA SER 36 3.408 1.087 -7.005 275 1HB SER 36 2HB SER 36 0.658 1.936 -7.964 276 2HB SER 36 3HB SER 36 2.226 2.374 -8.671 277 HG SER 36 HG SER 36 2.287 -0.200 -8.618 278 H VAL 37 H VAL 37 4.209 2.273 -5.269 279 HA VAL 37 HA VAL 37 2.446 4.431 -4.290 280 HB VAL 37 HB VAL 37 3.630 4.544 -2.361 281 1HG1 VAL 37 1HG1 VAL 37 3.538 2.436 -1.378 282 2HG1 VAL 37 2HG1 VAL 37 2.449 2.237 -2.767 283 3HG1 VAL 37 3HG1 VAL 37 4.098 1.600 -2.835 284 1HG2 VAL 37 1HG2 VAL 37 5.882 2.911 -3.612 285 2HG2 VAL 37 2HG2 VAL 37 5.956 4.652 -3.222 286 3HG2 VAL 37 3HG2 VAL 37 5.819 3.455 -1.929 287 H ALA 38 H ALA 38 2.816 6.506 -4.531 288 HA ALA 38 HA ALA 38 5.312 7.297 -5.990 289 1HB ALA 38 1HB ALA 38 2.546 8.491 -6.316 290 2HB ALA 38 2HB ALA 38 4.081 9.140 -6.963 291 3HB ALA 38 3HB ALA 38 3.467 7.566 -7.529 292 H LEU 39 H LEU 39 6.440 8.822 -5.079 293 HA LEU 39 HA LEU 39 5.857 9.353 -2.284 294 1HB LEU 39 2HB LEU 39 8.104 10.031 -2.067 295 2HB LEU 39 3HB LEU 39 8.010 8.564 -3.029 296 HG LEU 39 HG LEU 39 8.079 10.379 -5.063 297 1HD1 LEU 39 1HD1 LEU 39 9.715 11.637 -2.803 298 2HD1 LEU 39 2HD1 LEU 39 9.683 12.167 -4.495 299 3HD1 LEU 39 3HD1 LEU 39 8.243 12.345 -3.484 300 1HD2 LEU 39 1HD2 LEU 39 10.533 9.944 -5.130 301 2HD2 LEU 39 2HD2 LEU 39 10.435 9.301 -3.475 302 3HD2 LEU 39 3HD2 LEU 39 9.589 8.480 -4.801 303 H ALA 40 H ALA 40 5.951 11.305 -5.244 304 HA ALA 40 HA ALA 40 5.909 13.875 -4.152 305 1HB ALA 40 1HB ALA 40 6.090 13.389 -6.559 306 2HB ALA 40 2HB ALA 40 4.398 12.838 -6.590 307 3HB ALA 40 3HB ALA 40 4.777 14.538 -6.238 308 H THR 41 H THR 41 3.298 11.521 -4.341 309 HA THR 41 HA THR 41 1.365 13.383 -3.008 310 HB THR 41 HB THR 41 0.608 12.587 -5.071 311 HG1 THR 41 1HG THR 41 -0.557 11.480 -2.794 312 1HG2 THR 41 1HG2 THR 41 1.902 10.692 -5.630 313 2HG2 THR 41 2HG2 THR 41 1.359 9.788 -4.202 314 3HG2 THR 41 3HG2 THR 41 0.235 10.128 -5.533 315 H ASN 42 H ASN 42 3.665 11.338 -2.148 316 HA ASN 42 HA ASN 42 4.068 9.623 -0.716 317 1HB ASN 42 2HB ASN 42 2.318 11.321 1.085 318 2HB ASN 42 3HB ASN 42 3.531 10.146 1.610 319 1HD2 ASN 42 1HD2 ASN 42 5.911 10.656 1.197 320 2HD2 ASN 42 2HD2 ASN 42 6.303 12.336 0.924 321 H LYS 43 H LYS 43 2.166 8.636 -2.419 322 HA LYS 43 HA LYS 43 0.121 7.344 -0.674 323 1HB LYS 43 2HB LYS 43 -0.882 9.359 -1.577 324 2HB LYS 43 3HB LYS 43 -0.443 8.891 -3.221 325 1HG LYS 43 2HG LYS 43 -2.026 6.812 -1.851 326 2HG LYS 43 3HG LYS 43 -2.847 8.352 -1.850 327 1HD LYS 43 2HD LYS 43 -1.640 7.142 -4.388 328 2HD LYS 43 3HD LYS 43 -3.255 6.741 -3.810 329 1HE LYS 43 2HE LYS 43 -3.764 9.270 -3.763 330 2HE LYS 43 3HE LYS 43 -2.262 9.502 -4.662 331 1HZ LYS 43 1HZ LYS 43 -3.196 8.100 -6.403 332 2HZ LYS 43 2HZ LYS 43 -4.550 7.822 -5.543 333 3HZ LYS 43 3HZ LYS 43 -4.232 9.336 -6.073 334 H ALA 44 H ALA 44 -0.452 5.387 -1.084 335 HA ALA 44 HA ALA 44 0.809 3.841 -3.284 336 1HB ALA 44 1HB ALA 44 0.254 1.919 -1.866 337 2HB ALA 44 2HB ALA 44 1.238 3.090 -0.953 338 3HB ALA 44 3HB ALA 44 -0.501 2.996 -0.682 339 H HIS 45 H HIS 45 -0.501 2.883 -4.857 340 HA HIS 45 HA HIS 45 -3.309 2.491 -4.057 341 1HB HIS 45 2HB HIS 45 -4.044 2.368 -6.201 342 2HB HIS 45 3HB HIS 45 -3.040 3.817 -6.226 343 HD1 HIS 45 1HD HIS 45 -1.761 3.905 -8.456 344 HD2 HIS 45 2HD HIS 45 -2.759 0.033 -7.165 345 HE1 HIS 45 1HE HIS 45 -1.229 2.330 -10.396 346 H ILE 46 H ILE 46 -3.697 0.382 -3.617 347 HA ILE 46 HA ILE 46 -1.626 -1.623 -4.436 348 HB ILE 46 HB ILE 46 -3.403 -1.695 -1.981 349 1HG1 ILE 46 2HG1 ILE 46 -1.718 -0.157 -1.437 350 2HG1 ILE 46 3HG1 ILE 46 -1.283 -1.732 -0.728 351 1HG2 ILE 46 1HG2 ILE 46 -2.062 -3.738 -1.447 352 2HG2 ILE 46 2HG2 ILE 46 -2.960 -3.932 -2.947 353 3HG2 ILE 46 3HG2 ILE 46 -1.231 -3.564 -3.010 354 1HD1 ILE 46 1HD1 ILE 46 0.024 -0.403 -3.112 355 2HD1 ILE 46 2HD1 ILE 46 0.692 -0.679 -1.506 356 3HD1 ILE 46 3HD1 ILE 46 0.361 -2.061 -2.575 357 H LYS 47 H LYS 47 -2.377 -3.180 -5.657 358 HA LYS 47 HA LYS 47 -5.266 -3.321 -6.319 359 1HB LYS 47 2HB LYS 47 -2.880 -4.624 -7.668 360 2HB LYS 47 3HB LYS 47 -4.558 -4.547 -8.227 361 1HG LYS 47 2HG LYS 47 -4.238 -1.947 -8.127 362 2HG LYS 47 3HG LYS 47 -2.510 -2.273 -8.002 363 1HD LYS 47 2HD LYS 47 -2.696 -3.710 -10.088 364 2HD LYS 47 3HD LYS 47 -4.419 -3.291 -10.182 365 1HE LYS 47 2HE LYS 47 -3.781 -0.861 -10.336 366 2HE LYS 47 3HE LYS 47 -2.071 -1.357 -10.376 367 1HZ LYS 47 1HZ LYS 47 -2.518 -2.560 -12.391 368 2HZ LYS 47 2HZ LYS 47 -4.100 -2.101 -12.372 369 3HZ LYS 47 3HZ LYS 47 -2.916 -0.974 -12.562 370 H TYR 48 H TYR 48 -5.227 -4.181 -3.862 371 HA TYR 48 HA TYR 48 -4.625 -7.031 -3.810 372 1HB TYR 48 2HB TYR 48 -5.186 -6.984 -1.512 373 2HB TYR 48 3HB TYR 48 -4.069 -5.705 -1.873 374 HD1 TYR 48 HD1 TYR 48 -7.650 -6.492 -1.096 375 HD2 TYR 48 HD2 TYR 48 -4.651 -3.418 -1.356 376 HE1 TYR 48 HE1 TYR 48 -9.002 -5.063 0.370 377 HE2 TYR 48 HE2 TYR 48 -6.048 -1.936 0.046 378 HH TYR 48 HH TYR 48 -9.248 -2.927 1.241 379 H ASP 49 H ASP 49 -5.977 -8.708 -3.756 380 HA ASP 49 HA ASP 49 -8.566 -8.562 -4.920 381 1HB ASP 49 2HB ASP 49 -7.324 -10.684 -3.143 382 2HB ASP 49 3HB ASP 49 -8.819 -10.888 -4.077 383 HA PRO 50 HA PRO 50 -10.216 -6.891 -1.063 384 1HB PRO 50 2HB PRO 50 -12.669 -6.048 -1.851 385 2HB PRO 50 3HB PRO 50 -11.171 -5.345 -2.519 386 1HG PRO 50 2HG PRO 50 -12.842 -7.562 -3.752 387 2HG PRO 50 3HG PRO 50 -12.324 -6.036 -4.529 388 1HD PRO 50 2HD PRO 50 -10.921 -8.371 -4.808 389 2HD PRO 50 3HD PRO 50 -10.088 -6.790 -4.705 390 H GLU 51 H GLU 51 -9.995 -9.369 -0.482 391 HA GLU 51 HA GLU 51 -12.464 -10.148 0.810 392 1HB GLU 51 2HB GLU 51 -12.681 -12.383 -0.337 393 2HB GLU 51 3HB GLU 51 -13.162 -10.961 -1.243 394 1HG GLU 51 2HG GLU 51 -10.703 -11.128 -2.290 395 2HG GLU 51 3HG GLU 51 -10.876 -12.826 -1.799 396 H ILE 52 H ILE 52 -9.741 -12.220 -0.302 397 HA ILE 52 HA ILE 52 -9.521 -13.355 2.318 398 HB ILE 52 HB ILE 52 -7.631 -14.532 1.600 399 1HG1 ILE 52 2HG1 ILE 52 -6.269 -12.913 0.447 400 2HG1 ILE 52 3HG1 ILE 52 -6.476 -14.393 -0.474 401 1HG2 ILE 52 1HG2 ILE 52 -9.802 -15.336 0.842 402 2HG2 ILE 52 2HG2 ILE 52 -9.640 -14.445 -0.680 403 3HG2 ILE 52 3HG2 ILE 52 -8.523 -15.768 -0.306 404 1HD1 ILE 52 1HD1 ILE 52 -6.528 -12.487 -1.930 405 2HD1 ILE 52 2HD1 ILE 52 -8.119 -13.259 -1.956 406 3HD1 ILE 52 3HD1 ILE 52 -7.864 -11.750 -1.049 407 H ILE 53 H ILE 53 -7.952 -10.711 0.742 408 HA ILE 53 HA ILE 53 -6.406 -10.018 3.178 409 HB ILE 53 HB ILE 53 -4.970 -10.342 1.206 410 1HG1 ILE 53 2HG1 ILE 53 -4.098 -7.958 0.873 411 2HG1 ILE 53 3HG1 ILE 53 -5.341 -7.413 1.981 412 1HG2 ILE 53 1HG2 ILE 53 -5.164 -9.007 -0.797 413 2HG2 ILE 53 2HG2 ILE 53 -6.609 -9.975 -0.585 414 3HG2 ILE 53 3HG2 ILE 53 -6.640 -8.244 -0.170 415 1HD1 ILE 53 1HD1 ILE 53 -3.308 -7.789 3.255 416 2HD1 ILE 53 2HD1 ILE 53 -4.437 -9.115 3.638 417 3HD1 ILE 53 3HD1 ILE 53 -3.090 -9.397 2.539 418 H GLY 54 H GLY 54 -6.695 -7.783 3.850 419 1HA GLY 54 2HA GLY 54 -9.031 -6.358 2.712 420 2HA GLY 54 1HA GLY 54 -9.064 -6.868 4.415 421 HA PRO 55 HA PRO 55 -6.912 -2.685 3.545 422 1HB PRO 55 2HB PRO 55 -8.576 -1.125 5.143 423 2HB PRO 55 3HB PRO 55 -8.800 -1.398 3.399 424 1HG PRO 55 2HG PRO 55 -10.146 -2.837 5.688 425 2HG PRO 55 3HG PRO 55 -10.890 -2.215 4.190 426 1HD PRO 55 2HD PRO 55 -10.248 -4.831 4.465 427 2HD PRO 55 3HD PRO 55 -9.993 -4.012 2.903 428 H ARG 56 H ARG 56 -8.388 -3.972 6.591 429 HA ARG 56 HA ARG 56 -6.486 -2.806 8.344 430 1HB ARG 56 2HB ARG 56 -8.201 -5.306 8.573 431 2HB ARG 56 3HB ARG 56 -7.027 -4.850 9.795 432 1HG ARG 56 2HG ARG 56 -8.296 -2.433 9.511 433 2HG ARG 56 3HG ARG 56 -9.609 -3.522 9.067 434 1HD ARG 56 2HD ARG 56 -9.685 -2.994 11.419 435 2HD ARG 56 3HD ARG 56 -9.297 -4.719 11.246 436 HE ARG 56 HE ARG 56 -6.797 -3.679 11.432 437 1HH1 ARG 56 2HH2 ARG 56 -9.614 -3.090 13.496 438 2HH1 ARG 56 1HH2 ARG 56 -8.659 -2.748 14.906 439 1HH2 ARG 56 2HH1 ARG 56 -5.592 -3.389 13.196 440 2HH2 ARG 56 1HH1 ARG 56 -6.250 -2.855 14.733 441 H ASP 57 H ASP 57 -6.239 -5.872 6.469 442 HA ASP 57 HA ASP 57 -3.872 -6.753 7.874 443 1HB ASP 57 2HB ASP 57 -5.434 -8.223 6.603 444 2HB ASP 57 3HB ASP 57 -4.883 -7.462 5.104 445 H ILE 58 H ILE 58 -4.474 -5.090 4.759 446 HA ILE 58 HA ILE 58 -1.804 -4.522 4.029 447 HB ILE 58 HB ILE 58 -4.434 -3.058 3.635 448 1HG1 ILE 58 2HG1 ILE 58 -4.017 -5.253 2.479 449 2HG1 ILE 58 3HG1 ILE 58 -4.389 -3.882 1.438 450 1HG2 ILE 58 1HG2 ILE 58 -1.730 -2.159 2.606 451 2HG2 ILE 58 2HG2 ILE 58 -3.278 -1.684 1.867 452 3HG2 ILE 58 3HG2 ILE 58 -2.920 -1.231 3.534 453 1HD1 ILE 58 1HD1 ILE 58 -1.586 -4.981 1.927 454 2HD1 ILE 58 2HD1 ILE 58 -2.587 -5.230 0.484 455 3HD1 ILE 58 3HD1 ILE 58 -1.994 -3.609 0.887 456 H ILE 59 H ILE 59 -3.979 -2.575 6.099 457 HA ILE 59 HA ILE 59 -2.144 -0.518 6.615 458 HB ILE 59 HB ILE 59 -4.600 -1.559 7.958 459 1HG1 ILE 59 2HG1 ILE 59 -4.048 1.207 6.858 460 2HG1 ILE 59 3HG1 ILE 59 -4.512 -0.147 5.822 461 1HG2 ILE 59 1HG2 ILE 59 -4.550 0.386 9.555 462 2HG2 ILE 59 2HG2 ILE 59 -3.382 -0.875 9.904 463 3HG2 ILE 59 3HG2 ILE 59 -2.846 0.626 9.137 464 1HD1 ILE 59 1HD1 ILE 59 -6.498 1.066 6.383 465 2HD1 ILE 59 2HD1 ILE 59 -6.547 -0.502 7.215 466 3HD1 ILE 59 3HD1 ILE 59 -6.150 0.975 8.119 467 H HIS 60 H HIS 60 -2.770 -3.509 8.508 468 HA HIS 60 HA HIS 60 -0.928 -3.041 10.625 469 1HB HIS 60 2HB HIS 60 -1.704 -5.691 9.364 470 2HB HIS 60 3HB HIS 60 -0.956 -5.456 10.943 471 HD1 HIS 60 1HD HIS 60 -3.657 -6.974 10.704 472 HD2 HIS 60 2HD HIS 60 -3.265 -2.841 11.391 473 HE1 HIS 60 1HE HIS 60 -5.826 -6.207 11.811 474 H THR 61 H THR 61 -0.629 -4.564 7.458 475 HA THR 61 HA THR 61 2.065 -5.454 7.712 476 HB THR 61 HB THR 61 0.340 -4.813 5.292 477 HG1 THR 61 1HG THR 61 -0.512 -6.517 6.365 478 1HG2 THR 61 1HG2 THR 61 1.907 -6.346 4.082 479 2HG2 THR 61 2HG2 THR 61 2.702 -4.834 4.562 480 3HG2 THR 61 3HG2 THR 61 2.988 -6.328 5.490 481 H ILE 62 H ILE 62 0.711 -2.392 6.325 482 HA ILE 62 HA ILE 62 3.356 -1.483 5.557 483 HB ILE 62 HB ILE 62 0.672 -0.122 5.545 484 1HG1 ILE 62 2HG1 ILE 62 2.511 -1.166 3.330 485 2HG1 ILE 62 3HG1 ILE 62 1.071 -1.995 3.938 486 1HG2 ILE 62 1HG2 ILE 62 1.826 1.686 4.239 487 2HG2 ILE 62 2HG2 ILE 62 2.416 1.605 5.878 488 3HG2 ILE 62 3HG2 ILE 62 3.383 0.904 4.564 489 1HD1 ILE 62 1HD1 ILE 62 0.403 -0.877 1.954 490 2HD1 ILE 62 2HD1 ILE 62 -0.279 0.034 3.322 491 3HD1 ILE 62 3HD1 ILE 62 1.153 0.647 2.451 492 H GLU 63 H GLU 63 1.158 -0.707 8.328 493 HA GLU 63 HA GLU 63 2.685 1.465 9.263 494 1HB GLU 63 2HB GLU 63 1.569 1.251 11.327 495 2HB GLU 63 3HB GLU 63 0.416 0.926 10.027 496 1HG GLU 63 2HG GLU 63 0.648 -1.494 10.510 497 2HG GLU 63 3HG GLU 63 1.696 -1.119 11.889 498 H SER 64 H SER 64 2.945 -1.955 10.010 499 HA SER 64 HA SER 64 5.142 -2.014 11.710 500 1HB SER 64 2HB SER 64 4.608 -3.939 9.410 501 2HB SER 64 3HB SER 64 5.644 -4.236 10.817 502 HG SER 64 HG SER 64 2.828 -3.895 10.759 503 H LEU 65 H LEU 65 5.256 -1.124 8.268 504 HA LEU 65 HA LEU 65 8.164 -1.474 8.075 505 1HB LEU 65 2HB LEU 65 6.345 0.055 6.193 506 2HB LEU 65 3HB LEU 65 7.966 -0.560 5.883 507 HG LEU 65 HG LEU 65 5.426 -2.188 6.254 508 1HD1 LEU 65 1HD1 LEU 65 5.819 -2.843 3.923 509 2HD1 LEU 65 2HD1 LEU 65 5.706 -1.080 4.063 510 3HD1 LEU 65 3HD1 LEU 65 7.295 -1.852 3.872 511 1HD2 LEU 65 1HD2 LEU 65 7.176 -3.488 7.291 512 2HD2 LEU 65 2HD2 LEU 65 6.868 -4.171 5.691 513 3HD2 LEU 65 3HD2 LEU 65 8.289 -3.133 5.956 514 H GLY 66 H GLY 66 6.047 0.927 9.373 515 1HA GLY 66 2HA GLY 66 6.720 2.773 10.563 516 2HA GLY 66 1HA GLY 66 8.316 2.750 9.809 517 H PHE 67 H PHE 67 5.221 2.664 7.980 518 HA PHE 67 HA PHE 67 5.369 5.586 7.469 519 1HB PHE 67 2HB PHE 67 4.478 3.636 5.350 520 2HB PHE 67 3HB PHE 67 4.939 5.320 5.164 521 HD1 PHE 67 1HD PHE 67 5.953 2.042 4.464 522 HD2 PHE 67 2HD PHE 67 7.561 5.719 6.047 523 HE1 PHE 67 1HE PHE 67 8.228 1.360 3.759 524 HE2 PHE 67 2HE PHE 67 9.821 5.061 5.264 525 HZ PHE 67 HZ PHE 67 10.158 2.890 4.120 526 H GLU 68 H GLU 68 3.210 6.458 7.592 527 HA GLU 68 HA GLU 68 1.317 4.701 8.966 528 1HB GLU 68 2HB GLU 68 1.219 7.616 8.188 529 2HB GLU 68 3HB GLU 68 0.113 6.811 9.287 530 1HG GLU 68 2HG GLU 68 1.872 6.546 10.949 531 2HG GLU 68 3HG GLU 68 3.112 7.101 9.806 532 HA PRO 69 HA PRO 69 -0.842 4.446 4.877 533 1HB PRO 69 2HB PRO 69 -2.239 2.180 5.229 534 2HB PRO 69 3HB PRO 69 -0.468 2.163 4.980 535 1HG PRO 69 2HG PRO 69 -1.983 1.935 7.574 536 2HG PRO 69 3HG PRO 69 -0.584 0.972 7.025 537 1HD PRO 69 2HD PRO 69 -0.437 3.180 8.718 538 2HD PRO 69 3HD PRO 69 0.886 2.587 7.680 539 H SER 70 H SER 70 -2.643 5.773 4.574 540 HA SER 70 HA SER 70 -4.978 5.446 6.413 541 1HB SER 70 2HB SER 70 -3.520 7.438 7.016 542 2HB SER 70 3HB SER 70 -3.946 8.119 5.430 543 HG SER 70 HG SER 70 -5.695 7.436 7.568 544 H LEU 71 H LEU 71 -6.550 4.725 5.154 545 HA LEU 71 HA LEU 71 -6.560 4.706 2.339 546 1HB LEU 71 2HB LEU 71 -8.743 3.841 2.442 547 2HB LEU 71 3HB LEU 71 -7.742 3.070 3.668 548 HG LEU 71 HG LEU 71 -9.809 5.253 4.204 549 1HD1 LEU 71 1HD1 LEU 71 -9.932 2.244 4.652 550 2HD1 LEU 71 2HD1 LEU 71 -11.187 3.421 5.097 551 3HD1 LEU 71 3HD1 LEU 71 -10.805 3.142 3.392 552 1HD2 LEU 71 1HD2 LEU 71 -8.153 3.555 6.114 553 2HD2 LEU 71 2HD2 LEU 71 -8.244 5.338 6.026 554 3HD2 LEU 71 3HD2 LEU 71 -9.629 4.417 6.586 555 H VAL 72 H VAL 72 -7.218 6.093 0.812 556 HA VAL 72 HA VAL 72 -8.620 8.603 1.666 557 HB VAL 72 HB VAL 72 -6.226 8.881 1.590 558 1HG1 VAL 72 1HG1 VAL 72 -5.540 7.337 -0.201 559 2HG1 VAL 72 2HG1 VAL 72 -6.290 8.400 -1.414 560 3HG1 VAL 72 3HG1 VAL 72 -4.930 8.972 -0.465 561 1HG2 VAL 72 1HG2 VAL 72 -6.208 10.958 0.285 562 2HG2 VAL 72 2HG2 VAL 72 -7.654 10.441 -0.603 563 3HG2 VAL 72 3HG2 VAL 72 -7.750 10.775 1.138 564 H LYS 73 H LYS 73 -7.697 6.653 -1.205 565 HA LYS 73 HA LYS 73 -8.541 6.702 -3.316 566 1HB LYS 73 2HB LYS 73 -10.583 5.866 -1.786 567 2HB LYS 73 3HB LYS 73 -11.327 7.343 -2.354 568 1HG LYS 73 2HG LYS 73 -11.961 5.637 -3.888 569 2HG LYS 73 3HG LYS 73 -10.685 6.528 -4.737 570 1HD LYS 73 2HD LYS 73 -9.024 4.740 -3.898 571 2HD LYS 73 3HD LYS 73 -10.380 3.929 -3.136 572 1HE LYS 73 2HE LYS 73 -9.836 2.831 -5.235 573 2HE LYS 73 3HE LYS 73 -11.434 3.576 -5.377 574 1HZ LYS 73 1HZ LYS 73 -8.912 4.770 -6.371 575 2HZ LYS 73 2HZ LYS 73 -9.977 3.946 -7.306 576 3HZ LYS 73 3HZ LYS 73 -10.404 5.374 -6.609 577 H ILE 74 H ILE 74 -11.031 8.680 -3.797 578 HA ILE 74 HA ILE 74 -9.449 11.149 -4.031 579 HB ILE 74 HB ILE 74 -10.933 9.781 -6.336 580 1HG1 ILE 74 2HG1 ILE 74 -8.520 10.424 -7.380 581 2HG1 ILE 74 3HG1 ILE 74 -8.010 10.201 -5.710 582 1HG2 ILE 74 1HG2 ILE 74 -11.424 12.162 -6.405 583 2HG2 ILE 74 2HG2 ILE 74 -9.704 12.559 -6.187 584 3HG2 ILE 74 3HG2 ILE 74 -10.278 11.774 -7.673 585 1HD1 ILE 74 1HD1 ILE 74 -8.940 7.869 -5.801 586 2HD1 ILE 74 2HD1 ILE 74 -9.511 8.180 -7.453 587 3HD1 ILE 74 3HD1 ILE 74 -7.774 8.163 -7.098 588 H GLU 75 H GLU 75 -10.908 13.008 -4.144 589 HA GLU 75 HA GLU 75 -13.733 12.668 -3.816 590 1HB GLU 75 2HB GLU 75 -13.642 14.268 -1.832 591 2HB GLU 75 3HB GLU 75 -13.225 12.588 -1.476 592 1HG GLU 75 2HG GLU 75 -10.822 13.137 -1.463 593 2HG GLU 75 3HG GLU 75 -11.192 14.813 -1.913
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